USER MOD reduce.3.24.130724 H: found=0, std=0, add=785, rem=0, adj=17 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 78 LYS NZ :NH3+ 170:sc= 1.18 (180deg=-0.0946) USER MOD Set 1.2: A 79 ASN : amide:sc= -2.2! C(o=-1!,f=-13!) USER MOD Set 2.1: A 28 HIS : no HD1:sc= -2.97 K(o=-3,f=-6.7!) USER MOD Set 2.2: A 71 THR OG1 : rot 180:sc= 0 USER MOD Set 3.1: A 24 THR OG1 : rot -28:sc= 1.03 USER MOD Set 3.2: A 27 SER OG : rot -93:sc= 1.36 USER MOD Single : A 1 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 1 MET N :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 2 THR OG1 : rot 180:sc= 0 USER MOD Single : A 3 SER OG : rot 180:sc= 0 USER MOD Single : A 4 THR OG1 : rot 137:sc= 0.481 USER MOD Single : A 10 THR OG1 : rot 82:sc= -0.162 USER MOD Single : A 15 THR OG1 : rot 79:sc= 1.24 USER MOD Single : A 16 CYS SG : rot -96:sc= -1.72! USER MOD Single : A 22 THR OG1 : rot -2:sc= 0.845 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+ 180:sc= 0 (180deg=0) USER MOD Single : A 61 THR OG1 : rot 76:sc= 1.02 USER MOD Single : A 62 GLN : amide:sc= -0.04 X(o=-0.04,f=0.046) USER MOD Single : A 65 ASN : amide:sc= -0.869 X(o=-0.87,f=-0.78) 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 73 GLN :FLIP amide:sc= 0 F(o=-1.4,f=0) USER MOD Single : A 74 TYR OH : rot 180:sc= 0 USER MOD Single : A 91 LYS NZ :NH3+ -141:sc= -0.23 (180deg=-3.31!) USER MOD Single : A 96 HIS : no HD1:sc= 0 X(o=0,f=-0.003) USER MOD Single : A 97 HIS : no HD1:sc= 0 X(o=0,f=0) USER MOD Single : A 98 HIS : no HD1:sc= 0 X(o=0,f=0) USER MOD Single : A 99 HIS : no HD1:sc=-0.00338 X(o=-0.0034,f=-0.0064) USER MOD Single : A 100 HIS : no HD1:sc= 0 X(o=0,f=0) USER MOD Single : A 101 HIS : no HD1:sc= -0.0362 X(o=-0.036,f=-0.015) USER MOD ----------------------------------------------------------------- ATOM 1 N MET A 1 2.596 18.359 3.944 1.00 0.00 N ATOM 2 CA MET A 1 1.346 18.986 4.423 1.00 0.00 C ATOM 3 C MET A 1 0.304 17.891 4.732 1.00 0.00 C ATOM 4 O MET A 1 -0.036 17.664 5.898 1.00 0.00 O ATOM 5 CB MET A 1 0.815 19.998 3.366 1.00 0.00 C ATOM 6 CG MET A 1 -0.486 20.706 3.753 1.00 0.00 C ATOM 7 SD MET A 1 -1.088 21.801 2.452 1.00 0.00 S ATOM 8 CE MET A 1 -2.610 22.410 3.174 1.00 0.00 C ATOM 0 H1 MET A 1 3.298 19.098 3.736 1.00 0.00 H new ATOM 0 H2 MET A 1 2.969 17.724 4.678 1.00 0.00 H new ATOM 0 H3 MET A 1 2.402 17.813 3.080 1.00 0.00 H new ATOM 0 HA MET A 1 1.541 19.540 5.341 1.00 0.00 H new ATOM 0 HB2 MET A 1 1.583 20.751 3.187 1.00 0.00 H new ATOM 0 HB3 MET A 1 0.659 19.471 2.425 1.00 0.00 H new ATOM 0 HG2 MET A 1 -1.249 19.961 3.978 1.00 0.00 H new ATOM 0 HG3 MET A 1 -0.325 21.283 4.664 1.00 0.00 H new ATOM 0 HE1 MET A 1 -3.092 23.099 2.480 1.00 0.00 H new ATOM 0 HE2 MET A 1 -3.278 21.572 3.376 1.00 0.00 H new ATOM 0 HE3 MET A 1 -2.388 22.930 4.106 1.00 0.00 H new ATOM 20 N THR A 2 -0.186 17.211 3.674 1.00 0.00 N ATOM 21 CA THR A 2 -1.151 16.107 3.788 1.00 0.00 C ATOM 22 C THR A 2 -0.400 14.787 4.011 1.00 0.00 C ATOM 23 O THR A 2 0.550 14.471 3.273 1.00 0.00 O ATOM 24 CB THR A 2 -2.047 16.008 2.504 1.00 0.00 C ATOM 25 OG1 THR A 2 -2.651 17.291 2.254 1.00 0.00 O ATOM 26 CG2 THR A 2 -3.160 14.930 2.633 1.00 0.00 C ATOM 0 H THR A 2 0.081 17.417 2.712 1.00 0.00 H new ATOM 0 HA THR A 2 -1.803 16.303 4.640 1.00 0.00 H new ATOM 0 HB THR A 2 -1.404 15.711 1.675 1.00 0.00 H new ATOM 0 HG1 THR A 2 -3.211 17.238 1.452 1.00 0.00 H new ATOM 0 HG21 THR A 2 -3.750 14.904 1.717 1.00 0.00 H new ATOM 0 HG22 THR A 2 -2.704 13.954 2.798 1.00 0.00 H new ATOM 0 HG23 THR A 2 -3.808 15.175 3.475 1.00 0.00 H new ATOM 34 N SER A 3 -0.824 14.050 5.045 1.00 0.00 N ATOM 35 CA SER A 3 -0.248 12.756 5.404 1.00 0.00 C ATOM 36 C SER A 3 -0.327 11.759 4.222 1.00 0.00 C ATOM 37 O SER A 3 -1.363 11.664 3.543 1.00 0.00 O ATOM 38 CB SER A 3 -0.989 12.190 6.638 1.00 0.00 C ATOM 39 OG SER A 3 -0.974 13.110 7.727 1.00 0.00 O ATOM 0 H SER A 3 -1.584 14.341 5.660 1.00 0.00 H new ATOM 0 HA SER A 3 0.806 12.898 5.645 1.00 0.00 H new ATOM 0 HB2 SER A 3 -2.020 11.960 6.370 1.00 0.00 H new ATOM 0 HB3 SER A 3 -0.523 11.254 6.945 1.00 0.00 H new ATOM 0 HG SER A 3 -1.452 12.722 8.490 1.00 0.00 H new ATOM 45 N THR A 4 0.794 11.046 3.983 1.00 0.00 N ATOM 46 CA THR A 4 0.851 9.992 2.951 1.00 0.00 C ATOM 47 C THR A 4 -0.179 8.877 3.265 1.00 0.00 C ATOM 48 O THR A 4 -0.710 8.250 2.353 1.00 0.00 O ATOM 49 CB THR A 4 2.293 9.400 2.812 1.00 0.00 C ATOM 50 OG1 THR A 4 3.216 10.471 2.561 1.00 0.00 O ATOM 51 CG2 THR A 4 2.405 8.367 1.671 1.00 0.00 C ATOM 0 H THR A 4 1.669 11.181 4.490 1.00 0.00 H new ATOM 0 HA THR A 4 0.594 10.444 1.993 1.00 0.00 H new ATOM 0 HB THR A 4 2.526 8.886 3.745 1.00 0.00 H new ATOM 0 HG1 THR A 4 4.024 10.340 3.100 1.00 0.00 H new ATOM 0 HG21 THR A 4 3.426 7.990 1.621 1.00 0.00 H new ATOM 0 HG22 THR A 4 1.721 7.539 1.861 1.00 0.00 H new ATOM 0 HG23 THR A 4 2.146 8.841 0.724 1.00 0.00 H new ATOM 59 N PHE A 5 -0.516 8.725 4.566 1.00 0.00 N ATOM 60 CA PHE A 5 -1.569 7.796 5.019 1.00 0.00 C ATOM 61 C PHE A 5 -2.944 8.184 4.450 1.00 0.00 C ATOM 62 O PHE A 5 -3.688 7.314 4.004 1.00 0.00 O ATOM 63 CB PHE A 5 -1.629 7.718 6.568 1.00 0.00 C ATOM 64 CG PHE A 5 -2.775 6.843 7.085 1.00 0.00 C ATOM 65 CD1 PHE A 5 -2.770 5.463 6.870 1.00 0.00 C ATOM 66 CD2 PHE A 5 -3.867 7.401 7.758 1.00 0.00 C ATOM 67 CE1 PHE A 5 -3.824 4.682 7.287 1.00 0.00 C ATOM 68 CE2 PHE A 5 -4.916 6.613 8.182 1.00 0.00 C ATOM 69 CZ PHE A 5 -4.893 5.251 7.951 1.00 0.00 C ATOM 0 H PHE A 5 -0.068 9.240 5.324 1.00 0.00 H new ATOM 0 HA PHE A 5 -1.309 6.808 4.638 1.00 0.00 H new ATOM 0 HB2 PHE A 5 -0.684 7.325 6.942 1.00 0.00 H new ATOM 0 HB3 PHE A 5 -1.738 8.724 6.972 1.00 0.00 H new ATOM 0 HD1 PHE A 5 -1.930 5.003 6.371 1.00 0.00 H new ATOM 0 HD2 PHE A 5 -3.889 8.464 7.948 1.00 0.00 H new ATOM 0 HE1 PHE A 5 -3.815 3.619 7.094 1.00 0.00 H new ATOM 0 HE2 PHE A 5 -5.755 7.060 8.694 1.00 0.00 H new ATOM 0 HZ PHE A 5 -5.710 4.632 8.289 1.00 0.00 H new ATOM 79 N ASP A 6 -3.258 9.492 4.471 1.00 0.00 N ATOM 80 CA ASP A 6 -4.552 10.016 3.977 1.00 0.00 C ATOM 81 C ASP A 6 -4.704 9.744 2.478 1.00 0.00 C ATOM 82 O ASP A 6 -5.787 9.374 2.001 1.00 0.00 O ATOM 83 CB ASP A 6 -4.668 11.535 4.244 1.00 0.00 C ATOM 84 CG ASP A 6 -6.034 12.100 3.817 1.00 0.00 C ATOM 85 OD1 ASP A 6 -7.026 11.890 4.554 1.00 0.00 O ATOM 86 OD2 ASP A 6 -6.142 12.704 2.727 1.00 0.00 O ATOM 0 H ASP A 6 -2.630 10.213 4.827 1.00 0.00 H new ATOM 0 HA ASP A 6 -5.349 9.503 4.516 1.00 0.00 H new ATOM 0 HB2 ASP A 6 -4.513 11.728 5.306 1.00 0.00 H new ATOM 0 HB3 ASP A 6 -3.877 12.058 3.706 1.00 0.00 H new ATOM 91 N ARG A 7 -3.585 9.930 1.757 1.00 0.00 N ATOM 92 CA ARG A 7 -3.498 9.675 0.317 1.00 0.00 C ATOM 93 C ARG A 7 -3.776 8.188 0.000 1.00 0.00 C ATOM 94 O ARG A 7 -4.679 7.882 -0.779 1.00 0.00 O ATOM 95 CB ARG A 7 -2.099 10.082 -0.205 1.00 0.00 C ATOM 96 CG ARG A 7 -1.754 11.579 -0.081 1.00 0.00 C ATOM 97 CD ARG A 7 -2.717 12.478 -0.877 1.00 0.00 C ATOM 98 NE ARG A 7 -2.198 13.851 -1.020 1.00 0.00 N ATOM 99 CZ ARG A 7 -2.927 14.972 -1.077 1.00 0.00 C ATOM 100 NH1 ARG A 7 -4.238 14.937 -0.903 1.00 0.00 N ATOM 101 NH2 ARG A 7 -2.326 16.133 -1.277 1.00 0.00 N ATOM 0 H ARG A 7 -2.712 10.264 2.164 1.00 0.00 H new ATOM 0 HA ARG A 7 -4.257 10.274 -0.186 1.00 0.00 H new ATOM 0 HB2 ARG A 7 -1.347 9.508 0.336 1.00 0.00 H new ATOM 0 HB3 ARG A 7 -2.024 9.796 -1.254 1.00 0.00 H new ATOM 0 HG2 ARG A 7 -1.779 11.868 0.970 1.00 0.00 H new ATOM 0 HG3 ARG A 7 -0.735 11.743 -0.433 1.00 0.00 H new ATOM 0 HD2 ARG A 7 -2.882 12.048 -1.865 1.00 0.00 H new ATOM 0 HD3 ARG A 7 -3.685 12.506 -0.376 1.00 0.00 H new ATOM 0 HE ARG A 7 -1.185 13.957 -1.081 1.00 0.00 H new ATOM 0 HH11 ARG A 7 -4.705 14.048 -0.723 1.00 0.00 H new ATOM 0 HH12 ARG A 7 -4.782 15.799 -0.949 1.00 0.00 H new ATOM 0 HH21 ARG A 7 -1.313 16.170 -1.387 1.00 0.00 H new ATOM 0 HH22 ARG A 7 -2.876 16.991 -1.321 1.00 0.00 H new ATOM 115 N VAL A 8 -3.013 7.289 0.659 1.00 0.00 N ATOM 116 CA VAL A 8 -3.113 5.818 0.479 1.00 0.00 C ATOM 117 C VAL A 8 -4.512 5.300 0.890 1.00 0.00 C ATOM 118 O VAL A 8 -5.057 4.391 0.249 1.00 0.00 O ATOM 119 CB VAL A 8 -1.989 5.066 1.296 1.00 0.00 C ATOM 120 CG1 VAL A 8 -2.104 3.522 1.179 1.00 0.00 C ATOM 121 CG2 VAL A 8 -0.587 5.542 0.848 1.00 0.00 C ATOM 0 H VAL A 8 -2.303 7.563 1.338 1.00 0.00 H new ATOM 0 HA VAL A 8 -2.966 5.607 -0.580 1.00 0.00 H new ATOM 0 HB VAL A 8 -2.133 5.317 2.347 1.00 0.00 H new ATOM 0 HG11 VAL A 8 -1.309 3.053 1.758 1.00 0.00 H new ATOM 0 HG12 VAL A 8 -3.072 3.199 1.563 1.00 0.00 H new ATOM 0 HG13 VAL A 8 -2.013 3.229 0.133 1.00 0.00 H new ATOM 0 HG21 VAL A 8 0.176 5.015 1.420 1.00 0.00 H new ATOM 0 HG22 VAL A 8 -0.454 5.333 -0.213 1.00 0.00 H new ATOM 0 HG23 VAL A 8 -0.494 6.614 1.021 1.00 0.00 H new ATOM 131 N ALA A 9 -5.085 5.930 1.936 1.00 0.00 N ATOM 132 CA ALA A 9 -6.435 5.614 2.447 1.00 0.00 C ATOM 133 C ALA A 9 -7.484 5.871 1.355 1.00 0.00 C ATOM 134 O ALA A 9 -8.334 5.021 1.086 1.00 0.00 O ATOM 135 CB ALA A 9 -6.753 6.442 3.713 1.00 0.00 C ATOM 0 H ALA A 9 -4.621 6.677 2.453 1.00 0.00 H new ATOM 0 HA ALA A 9 -6.464 4.559 2.721 1.00 0.00 H new ATOM 0 HB1 ALA A 9 -7.752 6.192 4.070 1.00 0.00 H new ATOM 0 HB2 ALA A 9 -6.023 6.215 4.489 1.00 0.00 H new ATOM 0 HB3 ALA A 9 -6.709 7.504 3.473 1.00 0.00 H new ATOM 141 N THR A 10 -7.385 7.055 0.715 1.00 0.00 N ATOM 142 CA THR A 10 -8.226 7.440 -0.427 1.00 0.00 C ATOM 143 C THR A 10 -8.058 6.462 -1.615 1.00 0.00 C ATOM 144 O THR A 10 -9.043 6.011 -2.180 1.00 0.00 O ATOM 145 CB THR A 10 -7.878 8.885 -0.905 1.00 0.00 C ATOM 146 OG1 THR A 10 -8.130 9.829 0.133 1.00 0.00 O ATOM 147 CG2 THR A 10 -8.636 9.305 -2.183 1.00 0.00 C ATOM 0 H THR A 10 -6.712 7.773 0.982 1.00 0.00 H new ATOM 0 HA THR A 10 -9.261 7.404 -0.087 1.00 0.00 H new ATOM 0 HB THR A 10 -6.816 8.875 -1.151 1.00 0.00 H new ATOM 0 HG1 THR A 10 -7.368 9.849 0.749 1.00 0.00 H new ATOM 0 HG21 THR A 10 -8.348 10.319 -2.460 1.00 0.00 H new ATOM 0 HG22 THR A 10 -8.386 8.622 -2.995 1.00 0.00 H new ATOM 0 HG23 THR A 10 -9.709 9.271 -1.997 1.00 0.00 H new ATOM 155 N ILE A 11 -6.794 6.131 -1.951 1.00 0.00 N ATOM 156 CA ILE A 11 -6.469 5.313 -3.139 1.00 0.00 C ATOM 157 C ILE A 11 -7.111 3.915 -3.033 1.00 0.00 C ATOM 158 O ILE A 11 -7.806 3.485 -3.950 1.00 0.00 O ATOM 159 CB ILE A 11 -4.909 5.202 -3.353 1.00 0.00 C ATOM 160 CG1 ILE A 11 -4.275 6.603 -3.648 1.00 0.00 C ATOM 161 CG2 ILE A 11 -4.544 4.176 -4.457 1.00 0.00 C ATOM 162 CD1 ILE A 11 -4.870 7.335 -4.835 1.00 0.00 C ATOM 0 H ILE A 11 -5.977 6.420 -1.413 1.00 0.00 H new ATOM 0 HA ILE A 11 -6.886 5.815 -4.012 1.00 0.00 H new ATOM 0 HB ILE A 11 -4.484 4.832 -2.420 1.00 0.00 H new ATOM 0 HG12 ILE A 11 -4.384 7.229 -2.762 1.00 0.00 H new ATOM 0 HG13 ILE A 11 -3.206 6.474 -3.818 1.00 0.00 H new ATOM 0 HG21 ILE A 11 -3.461 4.133 -4.570 1.00 0.00 H new ATOM 0 HG22 ILE A 11 -4.919 3.192 -4.177 1.00 0.00 H new ATOM 0 HG23 ILE A 11 -4.995 4.481 -5.401 1.00 0.00 H new ATOM 0 HD11 ILE A 11 -4.367 8.294 -4.960 1.00 0.00 H new ATOM 0 HD12 ILE A 11 -4.738 6.736 -5.736 1.00 0.00 H new ATOM 0 HD13 ILE A 11 -5.933 7.502 -4.664 1.00 0.00 H new ATOM 174 N ILE A 12 -6.911 3.243 -1.891 1.00 0.00 N ATOM 175 CA ILE A 12 -7.474 1.898 -1.639 1.00 0.00 C ATOM 176 C ILE A 12 -9.017 1.960 -1.522 1.00 0.00 C ATOM 177 O ILE A 12 -9.716 1.010 -1.903 1.00 0.00 O ATOM 178 CB ILE A 12 -6.823 1.251 -0.362 1.00 0.00 C ATOM 179 CG1 ILE A 12 -5.279 1.144 -0.577 1.00 0.00 C ATOM 180 CG2 ILE A 12 -7.447 -0.130 -0.004 1.00 0.00 C ATOM 181 CD1 ILE A 12 -4.507 0.508 0.554 1.00 0.00 C ATOM 0 H ILE A 12 -6.358 3.609 -1.116 1.00 0.00 H new ATOM 0 HA ILE A 12 -7.234 1.260 -2.490 1.00 0.00 H new ATOM 0 HB ILE A 12 -7.029 1.896 0.492 1.00 0.00 H new ATOM 0 HG12 ILE A 12 -5.095 0.571 -1.486 1.00 0.00 H new ATOM 0 HG13 ILE A 12 -4.883 2.145 -0.746 1.00 0.00 H new ATOM 0 HG21 ILE A 12 -6.960 -0.530 0.885 1.00 0.00 H new ATOM 0 HG22 ILE A 12 -8.513 -0.008 0.190 1.00 0.00 H new ATOM 0 HG23 ILE A 12 -7.306 -0.820 -0.836 1.00 0.00 H new ATOM 0 HD11 ILE A 12 -3.447 0.483 0.302 1.00 0.00 H new ATOM 0 HD12 ILE A 12 -4.650 1.090 1.465 1.00 0.00 H new ATOM 0 HD13 ILE A 12 -4.866 -0.509 0.713 1.00 0.00 H new ATOM 193 N ALA A 13 -9.528 3.111 -1.036 1.00 0.00 N ATOM 194 CA ALA A 13 -10.971 3.393 -0.954 1.00 0.00 C ATOM 195 C ALA A 13 -11.626 3.390 -2.343 1.00 0.00 C ATOM 196 O ALA A 13 -12.715 2.841 -2.517 1.00 0.00 O ATOM 197 CB ALA A 13 -11.226 4.741 -0.248 1.00 0.00 C ATOM 0 H ALA A 13 -8.945 3.873 -0.688 1.00 0.00 H new ATOM 0 HA ALA A 13 -11.426 2.596 -0.365 1.00 0.00 H new ATOM 0 HB1 ALA A 13 -12.299 4.929 -0.199 1.00 0.00 H new ATOM 0 HB2 ALA A 13 -10.817 4.706 0.762 1.00 0.00 H new ATOM 0 HB3 ALA A 13 -10.743 5.542 -0.808 1.00 0.00 H new ATOM 203 N GLU A 14 -10.976 4.045 -3.320 1.00 0.00 N ATOM 204 CA GLU A 14 -11.469 4.104 -4.708 1.00 0.00 C ATOM 205 C GLU A 14 -11.269 2.758 -5.440 1.00 0.00 C ATOM 206 O GLU A 14 -12.189 2.268 -6.103 1.00 0.00 O ATOM 207 CB GLU A 14 -10.763 5.242 -5.494 1.00 0.00 C ATOM 208 CG GLU A 14 -10.719 6.609 -4.779 1.00 0.00 C ATOM 209 CD GLU A 14 -12.081 7.086 -4.248 1.00 0.00 C ATOM 210 OE1 GLU A 14 -12.944 7.469 -5.068 1.00 0.00 O ATOM 211 OE2 GLU A 14 -12.297 7.078 -3.017 1.00 0.00 O ATOM 0 H GLU A 14 -10.100 4.546 -3.172 1.00 0.00 H new ATOM 0 HA GLU A 14 -12.538 4.312 -4.663 1.00 0.00 H new ATOM 0 HB2 GLU A 14 -9.741 4.931 -5.711 1.00 0.00 H new ATOM 0 HB3 GLU A 14 -11.268 5.368 -6.452 1.00 0.00 H new ATOM 0 HG2 GLU A 14 -10.018 6.549 -3.947 1.00 0.00 H new ATOM 0 HG3 GLU A 14 -10.329 7.356 -5.471 1.00 0.00 H new ATOM 218 N THR A 15 -10.063 2.172 -5.292 1.00 0.00 N ATOM 219 CA THR A 15 -9.633 0.978 -6.042 1.00 0.00 C ATOM 220 C THR A 15 -10.457 -0.260 -5.649 1.00 0.00 C ATOM 221 O THR A 15 -11.151 -0.860 -6.481 1.00 0.00 O ATOM 222 CB THR A 15 -8.105 0.692 -5.812 1.00 0.00 C ATOM 223 OG1 THR A 15 -7.340 1.871 -6.095 1.00 0.00 O ATOM 224 CG2 THR A 15 -7.583 -0.448 -6.696 1.00 0.00 C ATOM 0 H THR A 15 -9.356 2.518 -4.643 1.00 0.00 H new ATOM 0 HA THR A 15 -9.801 1.183 -7.099 1.00 0.00 H new ATOM 0 HB THR A 15 -7.993 0.396 -4.769 1.00 0.00 H new ATOM 0 HG1 THR A 15 -7.400 2.490 -5.337 1.00 0.00 H new ATOM 0 HG21 THR A 15 -6.523 -0.605 -6.498 1.00 0.00 H new ATOM 0 HG22 THR A 15 -8.133 -1.362 -6.473 1.00 0.00 H new ATOM 0 HG23 THR A 15 -7.722 -0.188 -7.745 1.00 0.00 H new ATOM 232 N CYS A 16 -10.395 -0.606 -4.355 1.00 0.00 N ATOM 233 CA CYS A 16 -11.032 -1.815 -3.805 1.00 0.00 C ATOM 234 C CYS A 16 -12.456 -1.538 -3.275 1.00 0.00 C ATOM 235 O CYS A 16 -13.089 -2.448 -2.723 1.00 0.00 O ATOM 236 CB CYS A 16 -10.130 -2.372 -2.692 1.00 0.00 C ATOM 237 SG CYS A 16 -8.457 -2.750 -3.240 1.00 0.00 S ATOM 0 H CYS A 16 -9.899 -0.053 -3.656 1.00 0.00 H new ATOM 0 HA CYS A 16 -11.144 -2.549 -4.603 1.00 0.00 H new ATOM 0 HB2 CYS A 16 -10.082 -1.648 -1.879 1.00 0.00 H new ATOM 0 HB3 CYS A 16 -10.584 -3.277 -2.287 1.00 0.00 H new ATOM 0 HG CYS A 16 -8.375 -4.011 -3.545 1.00 0.00 H new ATOM 243 N ASP A 17 -12.942 -0.288 -3.474 1.00 0.00 N ATOM 244 CA ASP A 17 -14.271 0.179 -3.031 1.00 0.00 C ATOM 245 C ASP A 17 -14.491 -0.084 -1.522 1.00 0.00 C ATOM 246 O ASP A 17 -15.273 -0.947 -1.128 1.00 0.00 O ATOM 247 CB ASP A 17 -15.395 -0.424 -3.924 1.00 0.00 C ATOM 248 CG ASP A 17 -16.783 0.194 -3.659 1.00 0.00 C ATOM 249 OD1 ASP A 17 -17.046 1.303 -4.156 1.00 0.00 O ATOM 250 OD2 ASP A 17 -17.610 -0.411 -2.931 1.00 0.00 O ATOM 0 H ASP A 17 -12.408 0.435 -3.957 1.00 0.00 H new ATOM 0 HA ASP A 17 -14.316 1.261 -3.157 1.00 0.00 H new ATOM 0 HB2 ASP A 17 -15.134 -0.278 -4.972 1.00 0.00 H new ATOM 0 HB3 ASP A 17 -15.446 -1.500 -3.755 1.00 0.00 H new ATOM 255 N ILE A 18 -13.732 0.634 -0.682 1.00 0.00 N ATOM 256 CA ILE A 18 -13.778 0.487 0.789 1.00 0.00 C ATOM 257 C ILE A 18 -13.993 1.882 1.415 1.00 0.00 C ATOM 258 O ILE A 18 -13.180 2.766 1.180 1.00 0.00 O ATOM 259 CB ILE A 18 -12.449 -0.165 1.359 1.00 0.00 C ATOM 260 CG1 ILE A 18 -12.161 -1.533 0.660 1.00 0.00 C ATOM 261 CG2 ILE A 18 -12.520 -0.335 2.905 1.00 0.00 C ATOM 262 CD1 ILE A 18 -10.869 -2.203 1.084 1.00 0.00 C ATOM 0 H ILE A 18 -13.065 1.337 -1.000 1.00 0.00 H new ATOM 0 HA ILE A 18 -14.600 -0.180 1.048 1.00 0.00 H new ATOM 0 HB ILE A 18 -11.624 0.512 1.139 1.00 0.00 H new ATOM 0 HG12 ILE A 18 -12.990 -2.211 0.864 1.00 0.00 H new ATOM 0 HG13 ILE A 18 -12.136 -1.376 -0.418 1.00 0.00 H new ATOM 0 HG21 ILE A 18 -11.594 -0.784 3.265 1.00 0.00 H new ATOM 0 HG22 ILE A 18 -12.655 0.640 3.372 1.00 0.00 H new ATOM 0 HG23 ILE A 18 -13.360 -0.980 3.162 1.00 0.00 H new ATOM 0 HD11 ILE A 18 -10.754 -3.145 0.547 1.00 0.00 H new ATOM 0 HD12 ILE A 18 -10.028 -1.549 0.854 1.00 0.00 H new ATOM 0 HD13 ILE A 18 -10.895 -2.397 2.156 1.00 0.00 H new ATOM 274 N PRO A 19 -15.096 2.119 2.199 1.00 0.00 N ATOM 275 CA PRO A 19 -15.354 3.436 2.839 1.00 0.00 C ATOM 276 C PRO A 19 -14.244 3.846 3.841 1.00 0.00 C ATOM 277 O PRO A 19 -13.637 2.988 4.489 1.00 0.00 O ATOM 278 CB PRO A 19 -16.721 3.235 3.552 1.00 0.00 C ATOM 279 CG PRO A 19 -17.339 2.057 2.865 1.00 0.00 C ATOM 280 CD PRO A 19 -16.182 1.152 2.508 1.00 0.00 C ATOM 0 HA PRO A 19 -15.365 4.247 2.111 1.00 0.00 H new ATOM 0 HB2 PRO A 19 -16.588 3.047 4.617 1.00 0.00 H new ATOM 0 HB3 PRO A 19 -17.349 4.121 3.461 1.00 0.00 H new ATOM 0 HG2 PRO A 19 -18.049 1.549 3.518 1.00 0.00 H new ATOM 0 HG3 PRO A 19 -17.888 2.364 1.975 1.00 0.00 H new ATOM 0 HD2 PRO A 19 -15.914 0.492 3.333 1.00 0.00 H new ATOM 0 HD3 PRO A 19 -16.414 0.516 1.654 1.00 0.00 H new ATOM 288 N ARG A 20 -14.003 5.164 3.963 1.00 0.00 N ATOM 289 CA ARG A 20 -12.977 5.731 4.870 1.00 0.00 C ATOM 290 C ARG A 20 -13.299 5.419 6.355 1.00 0.00 C ATOM 291 O ARG A 20 -12.388 5.311 7.187 1.00 0.00 O ATOM 292 CB ARG A 20 -12.869 7.262 4.652 1.00 0.00 C ATOM 293 CG ARG A 20 -12.294 7.707 3.278 1.00 0.00 C ATOM 294 CD ARG A 20 -10.754 7.482 3.134 1.00 0.00 C ATOM 295 NE ARG A 20 -10.094 8.664 2.528 1.00 0.00 N ATOM 296 CZ ARG A 20 -9.251 9.505 3.161 1.00 0.00 C ATOM 297 NH1 ARG A 20 -8.794 9.236 4.381 1.00 0.00 N ATOM 298 NH2 ARG A 20 -8.871 10.620 2.567 1.00 0.00 N ATOM 0 H ARG A 20 -14.514 5.872 3.435 1.00 0.00 H new ATOM 0 HA ARG A 20 -12.020 5.265 4.634 1.00 0.00 H new ATOM 0 HB2 ARG A 20 -13.861 7.698 4.769 1.00 0.00 H new ATOM 0 HB3 ARG A 20 -12.242 7.680 5.440 1.00 0.00 H new ATOM 0 HG2 ARG A 20 -12.807 7.161 2.486 1.00 0.00 H new ATOM 0 HG3 ARG A 20 -12.512 8.764 3.129 1.00 0.00 H new ATOM 0 HD2 ARG A 20 -10.320 7.282 4.114 1.00 0.00 H new ATOM 0 HD3 ARG A 20 -10.568 6.602 2.517 1.00 0.00 H new ATOM 0 HE ARG A 20 -10.295 8.858 1.547 1.00 0.00 H new ATOM 0 HH11 ARG A 20 -9.081 8.380 4.856 1.00 0.00 H new ATOM 0 HH12 ARG A 20 -8.157 9.886 4.842 1.00 0.00 H new ATOM 0 HH21 ARG A 20 -9.215 10.843 1.633 1.00 0.00 H new ATOM 0 HH22 ARG A 20 -8.234 11.259 3.042 1.00 0.00 H new ATOM 312 N GLU A 21 -14.603 5.264 6.657 1.00 0.00 N ATOM 313 CA GLU A 21 -15.104 4.918 8.009 1.00 0.00 C ATOM 314 C GLU A 21 -14.646 3.501 8.450 1.00 0.00 C ATOM 315 O GLU A 21 -14.463 3.246 9.645 1.00 0.00 O ATOM 316 CB GLU A 21 -16.653 5.028 8.017 1.00 0.00 C ATOM 317 CG GLU A 21 -17.345 4.114 6.985 1.00 0.00 C ATOM 318 CD GLU A 21 -18.845 4.372 6.834 1.00 0.00 C ATOM 319 OE1 GLU A 21 -19.231 5.259 6.039 1.00 0.00 O ATOM 320 OE2 GLU A 21 -19.652 3.684 7.496 1.00 0.00 O ATOM 0 H GLU A 21 -15.346 5.375 5.967 1.00 0.00 H new ATOM 0 HA GLU A 21 -14.683 5.620 8.728 1.00 0.00 H new ATOM 0 HB2 GLU A 21 -17.021 4.780 9.013 1.00 0.00 H new ATOM 0 HB3 GLU A 21 -16.936 6.062 7.821 1.00 0.00 H new ATOM 0 HG2 GLU A 21 -16.864 4.248 6.016 1.00 0.00 H new ATOM 0 HG3 GLU A 21 -17.193 3.075 7.275 1.00 0.00 H new ATOM 327 N THR A 22 -14.468 2.590 7.473 1.00 0.00 N ATOM 328 CA THR A 22 -13.983 1.215 7.720 1.00 0.00 C ATOM 329 C THR A 22 -12.446 1.122 7.549 1.00 0.00 C ATOM 330 O THR A 22 -11.833 0.116 7.923 1.00 0.00 O ATOM 331 CB THR A 22 -14.707 0.194 6.771 1.00 0.00 C ATOM 332 OG1 THR A 22 -14.561 0.600 5.400 1.00 0.00 O ATOM 333 CG2 THR A 22 -16.207 0.061 7.097 1.00 0.00 C ATOM 0 H THR A 22 -14.656 2.785 6.490 1.00 0.00 H new ATOM 0 HA THR A 22 -14.221 0.958 8.752 1.00 0.00 H new ATOM 0 HB THR A 22 -14.236 -0.776 6.929 1.00 0.00 H new ATOM 0 HG1 THR A 22 -14.062 1.442 5.360 1.00 0.00 H new ATOM 0 HG21 THR A 22 -16.665 -0.655 6.415 1.00 0.00 H new ATOM 0 HG22 THR A 22 -16.327 -0.287 8.123 1.00 0.00 H new ATOM 0 HG23 THR A 22 -16.691 1.031 6.984 1.00 0.00 H new ATOM 341 N ILE A 23 -11.837 2.181 6.988 1.00 0.00 N ATOM 342 CA ILE A 23 -10.380 2.290 6.804 1.00 0.00 C ATOM 343 C ILE A 23 -9.735 2.864 8.076 1.00 0.00 C ATOM 344 O ILE A 23 -10.093 3.958 8.516 1.00 0.00 O ATOM 345 CB ILE A 23 -10.060 3.204 5.557 1.00 0.00 C ATOM 346 CG1 ILE A 23 -10.396 2.433 4.238 1.00 0.00 C ATOM 347 CG2 ILE A 23 -8.600 3.742 5.551 1.00 0.00 C ATOM 348 CD1 ILE A 23 -10.226 3.230 2.962 1.00 0.00 C ATOM 0 H ILE A 23 -12.349 2.994 6.646 1.00 0.00 H new ATOM 0 HA ILE A 23 -9.966 1.299 6.621 1.00 0.00 H new ATOM 0 HB ILE A 23 -10.694 4.088 5.627 1.00 0.00 H new ATOM 0 HG12 ILE A 23 -9.761 1.549 4.182 1.00 0.00 H new ATOM 0 HG13 ILE A 23 -11.427 2.083 4.294 1.00 0.00 H new ATOM 0 HG21 ILE A 23 -8.445 4.363 4.669 1.00 0.00 H new ATOM 0 HG22 ILE A 23 -8.428 4.337 6.448 1.00 0.00 H new ATOM 0 HG23 ILE A 23 -7.903 2.904 5.532 1.00 0.00 H new ATOM 0 HD11 ILE A 23 -10.484 2.606 2.106 1.00 0.00 H new ATOM 0 HD12 ILE A 23 -10.881 4.101 2.987 1.00 0.00 H new ATOM 0 HD13 ILE A 23 -9.190 3.558 2.873 1.00 0.00 H new ATOM 360 N THR A 24 -8.785 2.112 8.655 1.00 0.00 N ATOM 361 CA THR A 24 -8.004 2.523 9.839 1.00 0.00 C ATOM 362 C THR A 24 -6.508 2.221 9.583 1.00 0.00 C ATOM 363 O THR A 24 -6.200 1.423 8.693 1.00 0.00 O ATOM 364 CB THR A 24 -8.496 1.774 11.127 1.00 0.00 C ATOM 365 OG1 THR A 24 -8.352 0.361 10.962 1.00 0.00 O ATOM 366 CG2 THR A 24 -9.959 2.098 11.468 1.00 0.00 C ATOM 0 H THR A 24 -8.532 1.186 8.310 1.00 0.00 H new ATOM 0 HA THR A 24 -8.144 3.591 10.003 1.00 0.00 H new ATOM 0 HB THR A 24 -7.875 2.121 11.953 1.00 0.00 H new ATOM 0 HG1 THR A 24 -8.413 0.135 10.010 1.00 0.00 H new ATOM 0 HG21 THR A 24 -10.252 1.555 12.367 1.00 0.00 H new ATOM 0 HG22 THR A 24 -10.064 3.169 11.640 1.00 0.00 H new ATOM 0 HG23 THR A 24 -10.601 1.799 10.639 1.00 0.00 H new ATOM 374 N PRO A 25 -5.544 2.844 10.350 1.00 0.00 N ATOM 375 CA PRO A 25 -4.086 2.559 10.206 1.00 0.00 C ATOM 376 C PRO A 25 -3.733 1.068 10.412 1.00 0.00 C ATOM 377 O PRO A 25 -2.799 0.560 9.792 1.00 0.00 O ATOM 378 CB PRO A 25 -3.420 3.454 11.298 1.00 0.00 C ATOM 379 CG PRO A 25 -4.535 3.807 12.237 1.00 0.00 C ATOM 380 CD PRO A 25 -5.772 3.900 11.377 1.00 0.00 C ATOM 0 HA PRO A 25 -3.736 2.776 9.197 1.00 0.00 H new ATOM 0 HB2 PRO A 25 -2.622 2.920 11.814 1.00 0.00 H new ATOM 0 HB3 PRO A 25 -2.974 4.347 10.860 1.00 0.00 H new ATOM 0 HG2 PRO A 25 -4.651 3.048 13.011 1.00 0.00 H new ATOM 0 HG3 PRO A 25 -4.337 4.752 12.744 1.00 0.00 H new ATOM 0 HD2 PRO A 25 -6.679 3.715 11.952 1.00 0.00 H new ATOM 0 HD3 PRO A 25 -5.877 4.887 10.926 1.00 0.00 H new ATOM 388 N GLU A 26 -4.521 0.384 11.258 1.00 0.00 N ATOM 389 CA GLU A 26 -4.272 -1.012 11.668 1.00 0.00 C ATOM 390 C GLU A 26 -4.951 -2.029 10.725 1.00 0.00 C ATOM 391 O GLU A 26 -4.767 -3.245 10.896 1.00 0.00 O ATOM 392 CB GLU A 26 -4.754 -1.205 13.127 1.00 0.00 C ATOM 393 CG GLU A 26 -4.017 -0.317 14.158 1.00 0.00 C ATOM 394 CD GLU A 26 -4.574 -0.446 15.586 1.00 0.00 C ATOM 395 OE1 GLU A 26 -4.484 -1.553 16.169 1.00 0.00 O ATOM 396 OE2 GLU A 26 -5.114 0.545 16.122 1.00 0.00 O ATOM 0 H GLU A 26 -5.357 0.786 11.682 1.00 0.00 H new ATOM 0 HA GLU A 26 -3.200 -1.201 11.605 1.00 0.00 H new ATOM 0 HB2 GLU A 26 -5.822 -0.991 13.177 1.00 0.00 H new ATOM 0 HB3 GLU A 26 -4.625 -2.251 13.406 1.00 0.00 H new ATOM 0 HG2 GLU A 26 -2.960 -0.581 14.163 1.00 0.00 H new ATOM 0 HG3 GLU A 26 -4.084 0.724 13.843 1.00 0.00 H new ATOM 403 N SER A 27 -5.749 -1.529 9.753 1.00 0.00 N ATOM 404 CA SER A 27 -6.368 -2.369 8.713 1.00 0.00 C ATOM 405 C SER A 27 -5.293 -3.052 7.842 1.00 0.00 C ATOM 406 O SER A 27 -4.668 -2.418 6.989 1.00 0.00 O ATOM 407 CB SER A 27 -7.314 -1.526 7.822 1.00 0.00 C ATOM 408 OG SER A 27 -8.376 -0.971 8.572 1.00 0.00 O ATOM 0 H SER A 27 -5.978 -0.538 9.672 1.00 0.00 H new ATOM 0 HA SER A 27 -6.951 -3.143 9.213 1.00 0.00 H new ATOM 0 HB2 SER A 27 -6.748 -0.726 7.344 1.00 0.00 H new ATOM 0 HB3 SER A 27 -7.718 -2.151 7.025 1.00 0.00 H new ATOM 0 HG SER A 27 -9.151 -1.570 8.534 1.00 0.00 H new ATOM 414 N HIS A 28 -5.024 -4.327 8.141 1.00 0.00 N ATOM 415 CA HIS A 28 -4.216 -5.197 7.284 1.00 0.00 C ATOM 416 C HIS A 28 -5.058 -5.565 6.053 1.00 0.00 C ATOM 417 O HIS A 28 -6.202 -6.012 6.212 1.00 0.00 O ATOM 418 CB HIS A 28 -3.777 -6.449 8.076 1.00 0.00 C ATOM 419 CG HIS A 28 -2.820 -7.364 7.348 1.00 0.00 C ATOM 420 ND1 HIS A 28 -3.224 -8.157 6.306 1.00 0.00 N ATOM 421 CD2 HIS A 28 -1.503 -7.570 7.562 1.00 0.00 C ATOM 422 CE1 HIS A 28 -2.150 -8.828 5.929 1.00 0.00 C ATOM 423 NE2 HIS A 28 -1.085 -8.509 6.661 1.00 0.00 N ATOM 0 H HIS A 28 -5.362 -4.785 8.987 1.00 0.00 H new ATOM 0 HA HIS A 28 -3.309 -4.690 6.954 1.00 0.00 H new ATOM 0 HB2 HIS A 28 -3.310 -6.126 9.006 1.00 0.00 H new ATOM 0 HB3 HIS A 28 -4.666 -7.019 8.346 1.00 0.00 H new ATOM 0 HD2 HIS A 28 -0.892 -7.083 8.308 1.00 0.00 H new ATOM 0 HE1 HIS A 28 -2.138 -9.548 5.124 1.00 0.00 H new ATOM 0 HE2 HIS A 28 -0.143 -8.890 6.568 1.00 0.00 H new ATOM 431 N ALA A 29 -4.513 -5.303 4.845 1.00 0.00 N ATOM 432 CA ALA A 29 -5.211 -5.542 3.571 1.00 0.00 C ATOM 433 C ALA A 29 -5.830 -6.953 3.497 1.00 0.00 C ATOM 434 O ALA A 29 -7.028 -7.069 3.294 1.00 0.00 O ATOM 435 CB ALA A 29 -4.284 -5.284 2.378 1.00 0.00 C ATOM 0 H ALA A 29 -3.575 -4.919 4.730 1.00 0.00 H new ATOM 0 HA ALA A 29 -6.036 -4.831 3.523 1.00 0.00 H new ATOM 0 HB1 ALA A 29 -4.825 -5.468 1.450 1.00 0.00 H new ATOM 0 HB2 ALA A 29 -3.943 -4.249 2.400 1.00 0.00 H new ATOM 0 HB3 ALA A 29 -3.424 -5.951 2.435 1.00 0.00 H new ATOM 441 N ILE A 30 -5.028 -8.004 3.735 1.00 0.00 N ATOM 442 CA ILE A 30 -5.518 -9.401 3.674 1.00 0.00 C ATOM 443 C ILE A 30 -6.509 -9.691 4.825 1.00 0.00 C ATOM 444 O ILE A 30 -7.586 -10.253 4.591 1.00 0.00 O ATOM 445 CB ILE A 30 -4.331 -10.438 3.689 1.00 0.00 C ATOM 446 CG1 ILE A 30 -3.409 -10.224 2.441 1.00 0.00 C ATOM 447 CG2 ILE A 30 -4.844 -11.900 3.778 1.00 0.00 C ATOM 448 CD1 ILE A 30 -2.209 -11.151 2.341 1.00 0.00 C ATOM 0 H ILE A 30 -4.039 -7.919 3.971 1.00 0.00 H new ATOM 0 HA ILE A 30 -6.045 -9.517 2.727 1.00 0.00 H new ATOM 0 HB ILE A 30 -3.738 -10.261 4.586 1.00 0.00 H new ATOM 0 HG12 ILE A 30 -4.013 -10.343 1.541 1.00 0.00 H new ATOM 0 HG13 ILE A 30 -3.050 -9.195 2.450 1.00 0.00 H new ATOM 0 HG21 ILE A 30 -3.995 -12.584 3.786 1.00 0.00 H new ATOM 0 HG22 ILE A 30 -5.421 -12.028 4.694 1.00 0.00 H new ATOM 0 HG23 ILE A 30 -5.476 -12.117 2.917 1.00 0.00 H new ATOM 0 HD11 ILE A 30 -1.641 -10.915 1.441 1.00 0.00 H new ATOM 0 HD12 ILE A 30 -1.573 -11.019 3.216 1.00 0.00 H new ATOM 0 HD13 ILE A 30 -2.551 -12.185 2.294 1.00 0.00 H new ATOM 460 N ASP A 31 -6.149 -9.263 6.056 1.00 0.00 N ATOM 461 CA ASP A 31 -6.945 -9.568 7.267 1.00 0.00 C ATOM 462 C ASP A 31 -8.285 -8.786 7.267 1.00 0.00 C ATOM 463 O ASP A 31 -9.338 -9.372 7.006 1.00 0.00 O ATOM 464 CB ASP A 31 -6.132 -9.265 8.556 1.00 0.00 C ATOM 465 CG ASP A 31 -6.839 -9.710 9.858 1.00 0.00 C ATOM 466 OD1 ASP A 31 -6.712 -10.893 10.243 1.00 0.00 O ATOM 467 OD2 ASP A 31 -7.521 -8.880 10.505 1.00 0.00 O ATOM 0 H ASP A 31 -5.314 -8.706 6.237 1.00 0.00 H new ATOM 0 HA ASP A 31 -7.177 -10.633 7.253 1.00 0.00 H new ATOM 0 HB2 ASP A 31 -5.165 -9.763 8.490 1.00 0.00 H new ATOM 0 HB3 ASP A 31 -5.936 -8.194 8.608 1.00 0.00 H new ATOM 472 N ASP A 32 -8.233 -7.463 7.539 1.00 0.00 N ATOM 473 CA ASP A 32 -9.449 -6.628 7.689 1.00 0.00 C ATOM 474 C ASP A 32 -10.123 -6.359 6.335 1.00 0.00 C ATOM 475 O ASP A 32 -11.314 -6.632 6.160 1.00 0.00 O ATOM 476 CB ASP A 32 -9.123 -5.282 8.399 1.00 0.00 C ATOM 477 CG ASP A 32 -10.350 -4.354 8.546 1.00 0.00 C ATOM 478 OD1 ASP A 32 -11.332 -4.763 9.196 1.00 0.00 O ATOM 479 OD2 ASP A 32 -10.356 -3.234 7.988 1.00 0.00 O ATOM 0 H ASP A 32 -7.361 -6.948 7.660 1.00 0.00 H new ATOM 0 HA ASP A 32 -10.146 -7.191 8.310 1.00 0.00 H new ATOM 0 HB2 ASP A 32 -8.714 -5.491 9.388 1.00 0.00 H new ATOM 0 HB3 ASP A 32 -8.348 -4.761 7.837 1.00 0.00 H new ATOM 484 N LEU A 33 -9.345 -5.839 5.378 1.00 0.00 N ATOM 485 CA LEU A 33 -9.885 -5.351 4.089 1.00 0.00 C ATOM 486 C LEU A 33 -10.260 -6.515 3.135 1.00 0.00 C ATOM 487 O LEU A 33 -11.000 -6.302 2.171 1.00 0.00 O ATOM 488 CB LEU A 33 -8.871 -4.398 3.411 1.00 0.00 C ATOM 489 CG LEU A 33 -8.388 -3.170 4.249 1.00 0.00 C ATOM 490 CD1 LEU A 33 -7.371 -2.334 3.448 1.00 0.00 C ATOM 491 CD2 LEU A 33 -9.571 -2.294 4.727 1.00 0.00 C ATOM 0 H LEU A 33 -8.333 -5.742 5.466 1.00 0.00 H new ATOM 0 HA LEU A 33 -10.803 -4.803 4.304 1.00 0.00 H new ATOM 0 HB2 LEU A 33 -7.995 -4.981 3.127 1.00 0.00 H new ATOM 0 HB3 LEU A 33 -9.319 -4.025 2.490 1.00 0.00 H new ATOM 0 HG LEU A 33 -7.894 -3.556 5.141 1.00 0.00 H new ATOM 0 HD11 LEU A 33 -7.046 -1.484 4.048 1.00 0.00 H new ATOM 0 HD12 LEU A 33 -6.509 -2.952 3.198 1.00 0.00 H new ATOM 0 HD13 LEU A 33 -7.838 -1.974 2.531 1.00 0.00 H new ATOM 0 HD21 LEU A 33 -9.190 -1.452 5.305 1.00 0.00 H new ATOM 0 HD22 LEU A 33 -10.120 -1.921 3.862 1.00 0.00 H new ATOM 0 HD23 LEU A 33 -10.237 -2.891 5.350 1.00 0.00 H new ATOM 503 N GLY A 34 -9.723 -7.728 3.401 1.00 0.00 N ATOM 504 CA GLY A 34 -10.043 -8.931 2.607 1.00 0.00 C ATOM 505 C GLY A 34 -9.390 -8.956 1.217 1.00 0.00 C ATOM 506 O GLY A 34 -9.799 -9.726 0.345 1.00 0.00 O ATOM 0 H GLY A 34 -9.065 -7.897 4.162 1.00 0.00 H new ATOM 0 HA2 GLY A 34 -9.726 -9.814 3.162 1.00 0.00 H new ATOM 0 HA3 GLY A 34 -11.125 -8.999 2.490 1.00 0.00 H new ATOM 510 N ILE A 35 -8.385 -8.098 1.029 1.00 0.00 N ATOM 511 CA ILE A 35 -7.643 -7.925 -0.230 1.00 0.00 C ATOM 512 C ILE A 35 -6.489 -8.938 -0.322 1.00 0.00 C ATOM 513 O ILE A 35 -5.555 -8.884 0.475 1.00 0.00 O ATOM 514 CB ILE A 35 -7.080 -6.462 -0.304 1.00 0.00 C ATOM 515 CG1 ILE A 35 -8.249 -5.422 -0.235 1.00 0.00 C ATOM 516 CG2 ILE A 35 -6.199 -6.245 -1.560 1.00 0.00 C ATOM 517 CD1 ILE A 35 -7.811 -3.981 -0.065 1.00 0.00 C ATOM 0 H ILE A 35 -8.051 -7.483 1.771 1.00 0.00 H new ATOM 0 HA ILE A 35 -8.319 -8.100 -1.067 1.00 0.00 H new ATOM 0 HB ILE A 35 -6.435 -6.308 0.561 1.00 0.00 H new ATOM 0 HG12 ILE A 35 -8.841 -5.502 -1.147 1.00 0.00 H new ATOM 0 HG13 ILE A 35 -8.904 -5.688 0.595 1.00 0.00 H new ATOM 0 HG21 ILE A 35 -5.830 -5.220 -1.573 1.00 0.00 H new ATOM 0 HG22 ILE A 35 -5.355 -6.934 -1.536 1.00 0.00 H new ATOM 0 HG23 ILE A 35 -6.792 -6.428 -2.456 1.00 0.00 H new ATOM 0 HD11 ILE A 35 -8.689 -3.336 -0.028 1.00 0.00 H new ATOM 0 HD12 ILE A 35 -7.246 -3.879 0.862 1.00 0.00 H new ATOM 0 HD13 ILE A 35 -7.182 -3.690 -0.907 1.00 0.00 H new ATOM 529 N ASP A 36 -6.561 -9.833 -1.321 1.00 0.00 N ATOM 530 CA ASP A 36 -5.512 -10.836 -1.608 1.00 0.00 C ATOM 531 C ASP A 36 -4.377 -10.177 -2.418 1.00 0.00 C ATOM 532 O ASP A 36 -4.558 -9.085 -2.964 1.00 0.00 O ATOM 533 CB ASP A 36 -6.138 -12.031 -2.399 1.00 0.00 C ATOM 534 CG ASP A 36 -5.180 -13.224 -2.611 1.00 0.00 C ATOM 535 OD1 ASP A 36 -4.457 -13.257 -3.626 1.00 0.00 O ATOM 536 OD2 ASP A 36 -5.126 -14.124 -1.747 1.00 0.00 O ATOM 0 H ASP A 36 -7.354 -9.884 -1.960 1.00 0.00 H new ATOM 0 HA ASP A 36 -5.096 -11.216 -0.675 1.00 0.00 H new ATOM 0 HB2 ASP A 36 -7.022 -12.380 -1.866 1.00 0.00 H new ATOM 0 HB3 ASP A 36 -6.473 -11.672 -3.372 1.00 0.00 H new ATOM 541 N SER A 37 -3.219 -10.857 -2.495 1.00 0.00 N ATOM 542 CA SER A 37 -2.049 -10.441 -3.299 1.00 0.00 C ATOM 543 C SER A 37 -2.380 -10.254 -4.812 1.00 0.00 C ATOM 544 O SER A 37 -1.617 -9.597 -5.528 1.00 0.00 O ATOM 545 CB SER A 37 -0.923 -11.484 -3.122 1.00 0.00 C ATOM 546 OG SER A 37 -0.634 -11.693 -1.745 1.00 0.00 O ATOM 0 H SER A 37 -3.064 -11.730 -1.990 1.00 0.00 H new ATOM 0 HA SER A 37 -1.729 -9.465 -2.935 1.00 0.00 H new ATOM 0 HB2 SER A 37 -1.220 -12.426 -3.582 1.00 0.00 H new ATOM 0 HB3 SER A 37 -0.025 -11.146 -3.639 1.00 0.00 H new ATOM 0 HG SER A 37 0.080 -12.358 -1.658 1.00 0.00 H new ATOM 552 N LEU A 38 -3.525 -10.814 -5.280 1.00 0.00 N ATOM 553 CA LEU A 38 -4.017 -10.643 -6.666 1.00 0.00 C ATOM 554 C LEU A 38 -4.742 -9.295 -6.807 1.00 0.00 C ATOM 555 O LEU A 38 -4.531 -8.553 -7.767 1.00 0.00 O ATOM 556 CB LEU A 38 -4.991 -11.792 -7.044 1.00 0.00 C ATOM 557 CG LEU A 38 -4.431 -13.247 -6.973 1.00 0.00 C ATOM 558 CD1 LEU A 38 -5.543 -14.292 -7.242 1.00 0.00 C ATOM 559 CD2 LEU A 38 -3.228 -13.435 -7.929 1.00 0.00 C ATOM 0 H LEU A 38 -4.132 -11.397 -4.704 1.00 0.00 H new ATOM 0 HA LEU A 38 -3.159 -10.667 -7.338 1.00 0.00 H new ATOM 0 HB2 LEU A 38 -5.859 -11.730 -6.387 1.00 0.00 H new ATOM 0 HB3 LEU A 38 -5.346 -11.615 -8.059 1.00 0.00 H new ATOM 0 HG LEU A 38 -4.068 -13.412 -5.959 1.00 0.00 H new ATOM 0 HD11 LEU A 38 -5.121 -15.295 -7.185 1.00 0.00 H new ATOM 0 HD12 LEU A 38 -6.330 -14.187 -6.495 1.00 0.00 H new ATOM 0 HD13 LEU A 38 -5.962 -14.130 -8.235 1.00 0.00 H new ATOM 0 HD21 LEU A 38 -2.861 -14.459 -7.856 1.00 0.00 H new ATOM 0 HD22 LEU A 38 -3.542 -13.235 -8.953 1.00 0.00 H new ATOM 0 HD23 LEU A 38 -2.432 -12.744 -7.652 1.00 0.00 H new ATOM 571 N ASP A 39 -5.609 -9.003 -5.825 1.00 0.00 N ATOM 572 CA ASP A 39 -6.431 -7.773 -5.798 1.00 0.00 C ATOM 573 C ASP A 39 -5.559 -6.543 -5.449 1.00 0.00 C ATOM 574 O ASP A 39 -5.857 -5.410 -5.849 1.00 0.00 O ATOM 575 CB ASP A 39 -7.587 -7.943 -4.774 1.00 0.00 C ATOM 576 CG ASP A 39 -8.614 -6.794 -4.814 1.00 0.00 C ATOM 577 OD1 ASP A 39 -9.423 -6.750 -5.763 1.00 0.00 O ATOM 578 OD2 ASP A 39 -8.616 -5.923 -3.912 1.00 0.00 O ATOM 0 H ASP A 39 -5.764 -9.613 -5.022 1.00 0.00 H new ATOM 0 HA ASP A 39 -6.859 -7.606 -6.787 1.00 0.00 H new ATOM 0 HB2 ASP A 39 -8.099 -8.885 -4.969 1.00 0.00 H new ATOM 0 HB3 ASP A 39 -7.167 -8.010 -3.771 1.00 0.00 H new ATOM 583 N PHE A 40 -4.452 -6.803 -4.727 1.00 0.00 N ATOM 584 CA PHE A 40 -3.482 -5.777 -4.293 1.00 0.00 C ATOM 585 C PHE A 40 -2.682 -5.221 -5.499 1.00 0.00 C ATOM 586 O PHE A 40 -2.087 -4.143 -5.406 1.00 0.00 O ATOM 587 CB PHE A 40 -2.535 -6.361 -3.202 1.00 0.00 C ATOM 588 CG PHE A 40 -1.897 -5.313 -2.272 1.00 0.00 C ATOM 589 CD1 PHE A 40 -0.684 -4.701 -2.586 1.00 0.00 C ATOM 590 CD2 PHE A 40 -2.525 -4.934 -1.083 1.00 0.00 C ATOM 591 CE1 PHE A 40 -0.120 -3.755 -1.753 1.00 0.00 C ATOM 592 CE2 PHE A 40 -1.958 -3.988 -0.248 1.00 0.00 C ATOM 593 CZ PHE A 40 -0.760 -3.398 -0.586 1.00 0.00 C ATOM 0 H PHE A 40 -4.202 -7.744 -4.424 1.00 0.00 H new ATOM 0 HA PHE A 40 -4.031 -4.942 -3.857 1.00 0.00 H new ATOM 0 HB2 PHE A 40 -3.097 -7.070 -2.595 1.00 0.00 H new ATOM 0 HB3 PHE A 40 -1.740 -6.922 -3.693 1.00 0.00 H new ATOM 0 HD1 PHE A 40 -0.175 -4.972 -3.499 1.00 0.00 H new ATOM 0 HD2 PHE A 40 -3.467 -5.386 -0.812 1.00 0.00 H new ATOM 0 HE1 PHE A 40 0.821 -3.296 -2.016 1.00 0.00 H new ATOM 0 HE2 PHE A 40 -2.455 -3.712 0.670 1.00 0.00 H new ATOM 0 HZ PHE A 40 -0.322 -2.655 0.064 1.00 0.00 H new ATOM 603 N LEU A 41 -2.642 -5.994 -6.614 1.00 0.00 N ATOM 604 CA LEU A 41 -1.975 -5.567 -7.869 1.00 0.00 C ATOM 605 C LEU A 41 -2.586 -4.240 -8.383 1.00 0.00 C ATOM 606 O LEU A 41 -1.858 -3.322 -8.777 1.00 0.00 O ATOM 607 CB LEU A 41 -2.110 -6.662 -8.960 1.00 0.00 C ATOM 608 CG LEU A 41 -1.481 -8.061 -8.635 1.00 0.00 C ATOM 609 CD1 LEU A 41 -1.766 -9.081 -9.759 1.00 0.00 C ATOM 610 CD2 LEU A 41 0.031 -7.961 -8.364 1.00 0.00 C ATOM 0 H LEU A 41 -3.066 -6.920 -6.668 1.00 0.00 H new ATOM 0 HA LEU A 41 -0.918 -5.412 -7.654 1.00 0.00 H new ATOM 0 HB2 LEU A 41 -3.170 -6.806 -9.168 1.00 0.00 H new ATOM 0 HB3 LEU A 41 -1.653 -6.288 -9.876 1.00 0.00 H new ATOM 0 HG LEU A 41 -1.958 -8.418 -7.722 1.00 0.00 H new ATOM 0 HD11 LEU A 41 -1.316 -10.040 -9.502 1.00 0.00 H new ATOM 0 HD12 LEU A 41 -2.843 -9.204 -9.874 1.00 0.00 H new ATOM 0 HD13 LEU A 41 -1.340 -8.719 -10.695 1.00 0.00 H new ATOM 0 HD21 LEU A 41 0.427 -8.952 -8.143 1.00 0.00 H new ATOM 0 HD22 LEU A 41 0.532 -7.557 -9.244 1.00 0.00 H new ATOM 0 HD23 LEU A 41 0.205 -7.303 -7.513 1.00 0.00 H new ATOM 622 N ASP A 42 -3.931 -4.158 -8.332 1.00 0.00 N ATOM 623 CA ASP A 42 -4.714 -2.967 -8.742 1.00 0.00 C ATOM 624 C ASP A 42 -4.436 -1.775 -7.824 1.00 0.00 C ATOM 625 O ASP A 42 -4.428 -0.625 -8.276 1.00 0.00 O ATOM 626 CB ASP A 42 -6.226 -3.294 -8.730 1.00 0.00 C ATOM 627 CG ASP A 42 -6.587 -4.428 -9.694 1.00 0.00 C ATOM 628 OD1 ASP A 42 -6.267 -5.594 -9.389 1.00 0.00 O ATOM 629 OD2 ASP A 42 -7.153 -4.160 -10.779 1.00 0.00 O ATOM 0 H ASP A 42 -4.515 -4.926 -8.001 1.00 0.00 H new ATOM 0 HA ASP A 42 -4.408 -2.698 -9.753 1.00 0.00 H new ATOM 0 HB2 ASP A 42 -6.527 -3.571 -7.720 1.00 0.00 H new ATOM 0 HB3 ASP A 42 -6.790 -2.400 -8.997 1.00 0.00 H new ATOM 634 N ILE A 43 -4.241 -2.065 -6.521 1.00 0.00 N ATOM 635 CA ILE A 43 -3.883 -1.044 -5.509 1.00 0.00 C ATOM 636 C ILE A 43 -2.528 -0.412 -5.852 1.00 0.00 C ATOM 637 O ILE A 43 -2.411 0.813 -5.926 1.00 0.00 O ATOM 638 CB ILE A 43 -3.813 -1.667 -4.063 1.00 0.00 C ATOM 639 CG1 ILE A 43 -5.210 -2.184 -3.619 1.00 0.00 C ATOM 640 CG2 ILE A 43 -3.220 -0.685 -3.023 1.00 0.00 C ATOM 641 CD1 ILE A 43 -5.253 -2.725 -2.208 1.00 0.00 C ATOM 0 H ILE A 43 -4.326 -3.007 -6.140 1.00 0.00 H new ATOM 0 HA ILE A 43 -4.661 -0.281 -5.521 1.00 0.00 H new ATOM 0 HB ILE A 43 -3.131 -2.516 -4.111 1.00 0.00 H new ATOM 0 HG12 ILE A 43 -5.930 -1.370 -3.706 1.00 0.00 H new ATOM 0 HG13 ILE A 43 -5.530 -2.967 -4.306 1.00 0.00 H new ATOM 0 HG21 ILE A 43 -3.194 -1.164 -2.044 1.00 0.00 H new ATOM 0 HG22 ILE A 43 -2.208 -0.409 -3.319 1.00 0.00 H new ATOM 0 HG23 ILE A 43 -3.840 0.210 -2.973 1.00 0.00 H new ATOM 0 HD11 ILE A 43 -6.263 -3.064 -1.979 1.00 0.00 H new ATOM 0 HD12 ILE A 43 -4.560 -3.562 -2.118 1.00 0.00 H new ATOM 0 HD13 ILE A 43 -4.967 -1.940 -1.508 1.00 0.00 H new ATOM 653 N ALA A 44 -1.540 -1.290 -6.109 1.00 0.00 N ATOM 654 CA ALA A 44 -0.161 -0.878 -6.416 1.00 0.00 C ATOM 655 C ALA A 44 -0.125 -0.079 -7.734 1.00 0.00 C ATOM 656 O ALA A 44 0.607 0.894 -7.844 1.00 0.00 O ATOM 657 CB ALA A 44 0.757 -2.109 -6.473 1.00 0.00 C ATOM 0 H ALA A 44 -1.676 -2.301 -6.109 1.00 0.00 H new ATOM 0 HA ALA A 44 0.206 -0.225 -5.624 1.00 0.00 H new ATOM 0 HB1 ALA A 44 1.775 -1.793 -6.701 1.00 0.00 H new ATOM 0 HB2 ALA A 44 0.742 -2.619 -5.510 1.00 0.00 H new ATOM 0 HB3 ALA A 44 0.406 -2.789 -7.249 1.00 0.00 H new ATOM 663 N PHE A 45 -1.009 -0.464 -8.676 1.00 0.00 N ATOM 664 CA PHE A 45 -1.174 0.203 -9.985 1.00 0.00 C ATOM 665 C PHE A 45 -1.674 1.646 -9.808 1.00 0.00 C ATOM 666 O PHE A 45 -1.107 2.589 -10.374 1.00 0.00 O ATOM 667 CB PHE A 45 -2.152 -0.630 -10.859 1.00 0.00 C ATOM 668 CG PHE A 45 -2.530 -0.017 -12.213 1.00 0.00 C ATOM 669 CD1 PHE A 45 -1.586 0.109 -13.233 1.00 0.00 C ATOM 670 CD2 PHE A 45 -3.833 0.426 -12.464 1.00 0.00 C ATOM 671 CE1 PHE A 45 -1.935 0.652 -14.458 1.00 0.00 C ATOM 672 CE2 PHE A 45 -4.177 0.964 -13.690 1.00 0.00 C ATOM 673 CZ PHE A 45 -3.226 1.077 -14.688 1.00 0.00 C ATOM 0 H PHE A 45 -1.637 -1.257 -8.548 1.00 0.00 H new ATOM 0 HA PHE A 45 -0.208 0.259 -10.487 1.00 0.00 H new ATOM 0 HB2 PHE A 45 -1.706 -1.608 -11.037 1.00 0.00 H new ATOM 0 HB3 PHE A 45 -3.066 -0.796 -10.289 1.00 0.00 H new ATOM 0 HD1 PHE A 45 -0.571 -0.221 -13.065 1.00 0.00 H new ATOM 0 HD2 PHE A 45 -4.581 0.347 -11.689 1.00 0.00 H new ATOM 0 HE1 PHE A 45 -1.192 0.743 -15.237 1.00 0.00 H new ATOM 0 HE2 PHE A 45 -5.189 1.296 -13.869 1.00 0.00 H new ATOM 0 HZ PHE A 45 -3.494 1.498 -15.646 1.00 0.00 H new ATOM 683 N ALA A 46 -2.740 1.789 -9.004 1.00 0.00 N ATOM 684 CA ALA A 46 -3.360 3.087 -8.686 1.00 0.00 C ATOM 685 C ALA A 46 -2.380 4.006 -7.929 1.00 0.00 C ATOM 686 O ALA A 46 -2.369 5.218 -8.138 1.00 0.00 O ATOM 687 CB ALA A 46 -4.646 2.861 -7.875 1.00 0.00 C ATOM 0 H ALA A 46 -3.201 0.999 -8.552 1.00 0.00 H new ATOM 0 HA ALA A 46 -3.615 3.589 -9.619 1.00 0.00 H new ATOM 0 HB1 ALA A 46 -5.102 3.823 -7.641 1.00 0.00 H new ATOM 0 HB2 ALA A 46 -5.344 2.261 -8.459 1.00 0.00 H new ATOM 0 HB3 ALA A 46 -4.405 2.339 -6.949 1.00 0.00 H new ATOM 693 N ILE A 47 -1.547 3.395 -7.072 1.00 0.00 N ATOM 694 CA ILE A 47 -0.516 4.093 -6.279 1.00 0.00 C ATOM 695 C ILE A 47 0.629 4.614 -7.178 1.00 0.00 C ATOM 696 O ILE A 47 1.116 5.737 -6.989 1.00 0.00 O ATOM 697 CB ILE A 47 0.024 3.129 -5.143 1.00 0.00 C ATOM 698 CG1 ILE A 47 -1.061 2.967 -4.024 1.00 0.00 C ATOM 699 CG2 ILE A 47 1.381 3.585 -4.546 1.00 0.00 C ATOM 700 CD1 ILE A 47 -0.772 1.902 -2.980 1.00 0.00 C ATOM 0 H ILE A 47 -1.569 2.389 -6.906 1.00 0.00 H new ATOM 0 HA ILE A 47 -0.966 4.967 -5.807 1.00 0.00 H new ATOM 0 HB ILE A 47 0.216 2.161 -5.606 1.00 0.00 H new ATOM 0 HG12 ILE A 47 -1.180 3.925 -3.517 1.00 0.00 H new ATOM 0 HG13 ILE A 47 -2.015 2.736 -4.498 1.00 0.00 H new ATOM 0 HG21 ILE A 47 1.694 2.882 -3.774 1.00 0.00 H new ATOM 0 HG22 ILE A 47 2.133 3.617 -5.334 1.00 0.00 H new ATOM 0 HG23 ILE A 47 1.271 4.578 -4.109 1.00 0.00 H new ATOM 0 HD11 ILE A 47 -1.585 1.874 -2.254 1.00 0.00 H new ATOM 0 HD12 ILE A 47 -0.685 0.930 -3.466 1.00 0.00 H new ATOM 0 HD13 ILE A 47 0.162 2.137 -2.470 1.00 0.00 H new ATOM 712 N ASP A 48 1.041 3.796 -8.160 1.00 0.00 N ATOM 713 CA ASP A 48 2.096 4.170 -9.131 1.00 0.00 C ATOM 714 C ASP A 48 1.692 5.402 -9.946 1.00 0.00 C ATOM 715 O ASP A 48 2.501 6.312 -10.152 1.00 0.00 O ATOM 716 CB ASP A 48 2.433 2.986 -10.082 1.00 0.00 C ATOM 717 CG ASP A 48 3.157 1.833 -9.370 1.00 0.00 C ATOM 718 OD1 ASP A 48 4.113 2.106 -8.624 1.00 0.00 O ATOM 719 OD2 ASP A 48 2.822 0.649 -9.592 1.00 0.00 O ATOM 0 H ASP A 48 0.659 2.862 -8.307 1.00 0.00 H new ATOM 0 HA ASP A 48 2.989 4.416 -8.557 1.00 0.00 H new ATOM 0 HB2 ASP A 48 1.511 2.610 -10.526 1.00 0.00 H new ATOM 0 HB3 ASP A 48 3.056 3.349 -10.899 1.00 0.00 H new ATOM 724 N LYS A 49 0.425 5.438 -10.363 1.00 0.00 N ATOM 725 CA LYS A 49 -0.136 6.542 -11.163 1.00 0.00 C ATOM 726 C LYS A 49 -0.347 7.804 -10.308 1.00 0.00 C ATOM 727 O LYS A 49 -0.058 8.927 -10.751 1.00 0.00 O ATOM 728 CB LYS A 49 -1.484 6.097 -11.767 1.00 0.00 C ATOM 729 CG LYS A 49 -1.404 4.878 -12.713 1.00 0.00 C ATOM 730 CD LYS A 49 -2.794 4.321 -13.086 1.00 0.00 C ATOM 731 CE LYS A 49 -3.712 5.366 -13.750 1.00 0.00 C ATOM 732 NZ LYS A 49 -5.065 4.834 -13.991 1.00 0.00 N ATOM 0 H LYS A 49 -0.249 4.701 -10.157 1.00 0.00 H new ATOM 0 HA LYS A 49 0.571 6.786 -11.956 1.00 0.00 H new ATOM 0 HB2 LYS A 49 -2.170 5.862 -10.953 1.00 0.00 H new ATOM 0 HB3 LYS A 49 -1.914 6.935 -12.315 1.00 0.00 H new ATOM 0 HG2 LYS A 49 -0.875 5.163 -13.623 1.00 0.00 H new ATOM 0 HG3 LYS A 49 -0.818 4.092 -12.237 1.00 0.00 H new ATOM 0 HD2 LYS A 49 -2.669 3.475 -13.762 1.00 0.00 H new ATOM 0 HD3 LYS A 49 -3.279 3.941 -12.187 1.00 0.00 H new ATOM 0 HE2 LYS A 49 -3.777 6.249 -13.114 1.00 0.00 H new ATOM 0 HE3 LYS A 49 -3.274 5.686 -14.695 1.00 0.00 H new ATOM 0 HZ1 LYS A 49 -5.652 5.567 -14.439 1.00 0.00 H new ATOM 0 HZ2 LYS A 49 -5.006 4.007 -14.619 1.00 0.00 H new ATOM 0 HZ3 LYS A 49 -5.494 4.552 -13.086 1.00 0.00 H new ATOM 746 N ALA A 50 -0.863 7.594 -9.083 1.00 0.00 N ATOM 747 CA ALA A 50 -1.258 8.678 -8.165 1.00 0.00 C ATOM 748 C ALA A 50 -0.036 9.459 -7.680 1.00 0.00 C ATOM 749 O ALA A 50 0.081 10.668 -7.904 1.00 0.00 O ATOM 750 CB ALA A 50 -2.030 8.104 -6.962 1.00 0.00 C ATOM 0 H ALA A 50 -1.019 6.661 -8.700 1.00 0.00 H new ATOM 0 HA ALA A 50 -1.907 9.363 -8.710 1.00 0.00 H new ATOM 0 HB1 ALA A 50 -2.316 8.915 -6.292 1.00 0.00 H new ATOM 0 HB2 ALA A 50 -2.926 7.593 -7.315 1.00 0.00 H new ATOM 0 HB3 ALA A 50 -1.396 7.397 -6.426 1.00 0.00 H new ATOM 756 N PHE A 51 0.887 8.733 -7.036 1.00 0.00 N ATOM 757 CA PHE A 51 2.071 9.313 -6.385 1.00 0.00 C ATOM 758 C PHE A 51 3.215 9.546 -7.388 1.00 0.00 C ATOM 759 O PHE A 51 4.124 10.333 -7.108 1.00 0.00 O ATOM 760 CB PHE A 51 2.551 8.388 -5.240 1.00 0.00 C ATOM 761 CG PHE A 51 1.528 8.165 -4.123 1.00 0.00 C ATOM 762 CD1 PHE A 51 0.580 7.144 -4.205 1.00 0.00 C ATOM 763 CD2 PHE A 51 1.520 8.971 -2.984 1.00 0.00 C ATOM 764 CE1 PHE A 51 -0.333 6.934 -3.196 1.00 0.00 C ATOM 765 CE2 PHE A 51 0.607 8.758 -1.976 1.00 0.00 C ATOM 766 CZ PHE A 51 -0.320 7.738 -2.082 1.00 0.00 C ATOM 0 H PHE A 51 0.833 7.718 -6.951 1.00 0.00 H new ATOM 0 HA PHE A 51 1.785 10.282 -5.976 1.00 0.00 H new ATOM 0 HB2 PHE A 51 2.823 7.421 -5.663 1.00 0.00 H new ATOM 0 HB3 PHE A 51 3.456 8.811 -4.805 1.00 0.00 H new ATOM 0 HD1 PHE A 51 0.562 6.506 -5.077 1.00 0.00 H new ATOM 0 HD2 PHE A 51 2.239 9.772 -2.892 1.00 0.00 H new ATOM 0 HE1 PHE A 51 -1.058 6.138 -3.280 1.00 0.00 H new ATOM 0 HE2 PHE A 51 0.615 9.390 -1.100 1.00 0.00 H new ATOM 0 HZ PHE A 51 -1.034 7.573 -1.289 1.00 0.00 H new ATOM 776 N GLY A 52 3.164 8.847 -8.546 1.00 0.00 N ATOM 777 CA GLY A 52 4.216 8.940 -9.570 1.00 0.00 C ATOM 778 C GLY A 52 5.491 8.226 -9.143 1.00 0.00 C ATOM 779 O GLY A 52 6.598 8.697 -9.412 1.00 0.00 O ATOM 0 H GLY A 52 2.402 8.214 -8.789 1.00 0.00 H new ATOM 0 HA2 GLY A 52 3.853 8.508 -10.503 1.00 0.00 H new ATOM 0 HA3 GLY A 52 4.437 9.989 -9.769 1.00 0.00 H new ATOM 783 N ILE A 53 5.317 7.081 -8.465 1.00 0.00 N ATOM 784 CA ILE A 53 6.417 6.316 -7.830 1.00 0.00 C ATOM 785 C ILE A 53 6.500 4.887 -8.396 1.00 0.00 C ATOM 786 O ILE A 53 5.795 4.547 -9.345 1.00 0.00 O ATOM 787 CB ILE A 53 6.216 6.234 -6.267 1.00 0.00 C ATOM 788 CG1 ILE A 53 4.878 5.495 -5.923 1.00 0.00 C ATOM 789 CG2 ILE A 53 6.270 7.639 -5.621 1.00 0.00 C ATOM 790 CD1 ILE A 53 4.621 5.312 -4.444 1.00 0.00 C ATOM 0 H ILE A 53 4.401 6.650 -8.337 1.00 0.00 H new ATOM 0 HA ILE A 53 7.344 6.844 -8.051 1.00 0.00 H new ATOM 0 HB ILE A 53 7.038 5.654 -5.847 1.00 0.00 H new ATOM 0 HG12 ILE A 53 4.048 6.054 -6.356 1.00 0.00 H new ATOM 0 HG13 ILE A 53 4.886 4.515 -6.401 1.00 0.00 H new ATOM 0 HG21 ILE A 53 6.128 7.550 -4.544 1.00 0.00 H new ATOM 0 HG22 ILE A 53 7.239 8.095 -5.823 1.00 0.00 H new ATOM 0 HG23 ILE A 53 5.481 8.263 -6.040 1.00 0.00 H new ATOM 0 HD11 ILE A 53 3.674 4.792 -4.301 1.00 0.00 H new ATOM 0 HD12 ILE A 53 5.427 4.725 -4.004 1.00 0.00 H new ATOM 0 HD13 ILE A 53 4.576 6.287 -3.959 1.00 0.00 H new ATOM 802 N LYS A 54 7.392 4.074 -7.798 1.00 0.00 N ATOM 803 CA LYS A 54 7.470 2.630 -8.026 1.00 0.00 C ATOM 804 C LYS A 54 7.248 1.912 -6.692 1.00 0.00 C ATOM 805 O LYS A 54 8.113 1.954 -5.808 1.00 0.00 O ATOM 806 CB LYS A 54 8.843 2.242 -8.637 1.00 0.00 C ATOM 807 CG LYS A 54 9.053 0.715 -8.822 1.00 0.00 C ATOM 808 CD LYS A 54 10.457 0.364 -9.358 1.00 0.00 C ATOM 809 CE LYS A 54 10.712 0.922 -10.766 1.00 0.00 C ATOM 810 NZ LYS A 54 12.083 0.647 -11.238 1.00 0.00 N ATOM 0 H LYS A 54 8.087 4.414 -7.133 1.00 0.00 H new ATOM 0 HA LYS A 54 6.700 2.330 -8.737 1.00 0.00 H new ATOM 0 HB2 LYS A 54 8.947 2.731 -9.606 1.00 0.00 H new ATOM 0 HB3 LYS A 54 9.635 2.631 -7.997 1.00 0.00 H new ATOM 0 HG2 LYS A 54 8.898 0.213 -7.867 1.00 0.00 H new ATOM 0 HG3 LYS A 54 8.300 0.330 -9.510 1.00 0.00 H new ATOM 0 HD2 LYS A 54 11.210 0.756 -8.675 1.00 0.00 H new ATOM 0 HD3 LYS A 54 10.574 -0.720 -9.375 1.00 0.00 H new ATOM 0 HE2 LYS A 54 9.996 0.486 -11.462 1.00 0.00 H new ATOM 0 HE3 LYS A 54 10.540 1.998 -10.765 1.00 0.00 H new ATOM 0 HZ1 LYS A 54 12.208 1.042 -12.192 1.00 0.00 H new ATOM 0 HZ2 LYS A 54 12.768 1.085 -10.589 1.00 0.00 H new ATOM 0 HZ3 LYS A 54 12.241 -0.381 -11.266 1.00 0.00 H new ATOM 824 N LEU A 55 6.061 1.322 -6.530 1.00 0.00 N ATOM 825 CA LEU A 55 5.765 0.356 -5.474 1.00 0.00 C ATOM 826 C LEU A 55 6.143 -1.035 -6.033 1.00 0.00 C ATOM 827 O LEU A 55 5.390 -1.586 -6.851 1.00 0.00 O ATOM 828 CB LEU A 55 4.250 0.460 -5.076 1.00 0.00 C ATOM 829 CG LEU A 55 3.775 -0.324 -3.788 1.00 0.00 C ATOM 830 CD1 LEU A 55 2.421 0.207 -3.275 1.00 0.00 C ATOM 831 CD2 LEU A 55 3.673 -1.857 -4.006 1.00 0.00 C ATOM 0 H LEU A 55 5.266 1.507 -7.141 1.00 0.00 H new ATOM 0 HA LEU A 55 6.333 0.545 -4.563 1.00 0.00 H new ATOM 0 HB2 LEU A 55 4.012 1.514 -4.934 1.00 0.00 H new ATOM 0 HB3 LEU A 55 3.656 0.110 -5.920 1.00 0.00 H new ATOM 0 HG LEU A 55 4.548 -0.147 -3.040 1.00 0.00 H new ATOM 0 HD11 LEU A 55 2.123 -0.353 -2.389 1.00 0.00 H new ATOM 0 HD12 LEU A 55 2.517 1.263 -3.022 1.00 0.00 H new ATOM 0 HD13 LEU A 55 1.665 0.087 -4.051 1.00 0.00 H new ATOM 0 HD21 LEU A 55 3.342 -2.334 -3.084 1.00 0.00 H new ATOM 0 HD22 LEU A 55 2.955 -2.065 -4.800 1.00 0.00 H new ATOM 0 HD23 LEU A 55 4.650 -2.250 -4.288 1.00 0.00 H new ATOM 843 N PRO A 56 7.315 -1.631 -5.636 1.00 0.00 N ATOM 844 CA PRO A 56 7.752 -2.927 -6.182 1.00 0.00 C ATOM 845 C PRO A 56 7.084 -4.094 -5.428 1.00 0.00 C ATOM 846 O PRO A 56 7.683 -4.729 -4.549 1.00 0.00 O ATOM 847 CB PRO A 56 9.286 -2.862 -5.983 1.00 0.00 C ATOM 848 CG PRO A 56 9.472 -2.050 -4.724 1.00 0.00 C ATOM 849 CD PRO A 56 8.275 -1.110 -4.623 1.00 0.00 C ATOM 0 HA PRO A 56 7.477 -3.101 -7.222 1.00 0.00 H new ATOM 0 HB2 PRO A 56 9.715 -3.859 -5.879 1.00 0.00 H new ATOM 0 HB3 PRO A 56 9.777 -2.391 -6.835 1.00 0.00 H new ATOM 0 HG2 PRO A 56 9.528 -2.699 -3.850 1.00 0.00 H new ATOM 0 HG3 PRO A 56 10.404 -1.486 -4.762 1.00 0.00 H new ATOM 0 HD2 PRO A 56 7.843 -1.121 -3.622 1.00 0.00 H new ATOM 0 HD3 PRO A 56 8.559 -0.079 -4.836 1.00 0.00 H new ATOM 857 N LEU A 57 5.837 -4.385 -5.825 1.00 0.00 N ATOM 858 CA LEU A 57 4.995 -5.400 -5.175 1.00 0.00 C ATOM 859 C LEU A 57 5.505 -6.812 -5.485 1.00 0.00 C ATOM 860 O LEU A 57 5.429 -7.696 -4.639 1.00 0.00 O ATOM 861 CB LEU A 57 3.516 -5.236 -5.618 1.00 0.00 C ATOM 862 CG LEU A 57 2.489 -6.206 -4.951 1.00 0.00 C ATOM 863 CD1 LEU A 57 2.537 -6.124 -3.402 1.00 0.00 C ATOM 864 CD2 LEU A 57 1.071 -5.937 -5.485 1.00 0.00 C ATOM 0 H LEU A 57 5.381 -3.920 -6.610 1.00 0.00 H new ATOM 0 HA LEU A 57 5.050 -5.255 -4.096 1.00 0.00 H new ATOM 0 HB2 LEU A 57 3.207 -4.212 -5.409 1.00 0.00 H new ATOM 0 HB3 LEU A 57 3.464 -5.371 -6.698 1.00 0.00 H new ATOM 0 HG LEU A 57 2.769 -7.225 -5.220 1.00 0.00 H new ATOM 0 HD11 LEU A 57 1.807 -6.814 -2.978 1.00 0.00 H new ATOM 0 HD12 LEU A 57 3.535 -6.392 -3.054 1.00 0.00 H new ATOM 0 HD13 LEU A 57 2.303 -5.108 -3.084 1.00 0.00 H new ATOM 0 HD21 LEU A 57 0.368 -6.621 -5.010 1.00 0.00 H new ATOM 0 HD22 LEU A 57 0.786 -4.909 -5.259 1.00 0.00 H new ATOM 0 HD23 LEU A 57 1.054 -6.090 -6.564 1.00 0.00 H new ATOM 876 N GLU A 58 6.047 -6.984 -6.704 1.00 0.00 N ATOM 877 CA GLU A 58 6.663 -8.246 -7.157 1.00 0.00 C ATOM 878 C GLU A 58 7.826 -8.655 -6.236 1.00 0.00 C ATOM 879 O GLU A 58 7.995 -9.834 -5.919 1.00 0.00 O ATOM 880 CB GLU A 58 7.146 -8.097 -8.627 1.00 0.00 C ATOM 881 CG GLU A 58 8.108 -6.915 -8.870 1.00 0.00 C ATOM 882 CD GLU A 58 8.517 -6.754 -10.340 1.00 0.00 C ATOM 883 OE1 GLU A 58 9.479 -7.424 -10.775 1.00 0.00 O ATOM 884 OE2 GLU A 58 7.876 -5.969 -11.076 1.00 0.00 O ATOM 0 H GLU A 58 6.070 -6.246 -7.408 1.00 0.00 H new ATOM 0 HA GLU A 58 5.914 -9.037 -7.111 1.00 0.00 H new ATOM 0 HB2 GLU A 58 7.642 -9.020 -8.928 1.00 0.00 H new ATOM 0 HB3 GLU A 58 6.275 -7.978 -9.272 1.00 0.00 H new ATOM 0 HG2 GLU A 58 7.634 -5.994 -8.530 1.00 0.00 H new ATOM 0 HG3 GLU A 58 9.004 -7.055 -8.265 1.00 0.00 H new ATOM 891 N LYS A 59 8.591 -7.652 -5.776 1.00 0.00 N ATOM 892 CA LYS A 59 9.762 -7.849 -4.914 1.00 0.00 C ATOM 893 C LYS A 59 9.327 -8.082 -3.460 1.00 0.00 C ATOM 894 O LYS A 59 9.891 -8.936 -2.776 1.00 0.00 O ATOM 895 CB LYS A 59 10.702 -6.625 -5.032 1.00 0.00 C ATOM 896 CG LYS A 59 12.047 -6.747 -4.273 1.00 0.00 C ATOM 897 CD LYS A 59 13.028 -5.598 -4.614 1.00 0.00 C ATOM 898 CE LYS A 59 12.486 -4.208 -4.245 1.00 0.00 C ATOM 899 NZ LYS A 59 13.374 -3.115 -4.703 1.00 0.00 N ATOM 0 H LYS A 59 8.410 -6.673 -5.996 1.00 0.00 H new ATOM 0 HA LYS A 59 10.306 -8.736 -5.239 1.00 0.00 H new ATOM 0 HB2 LYS A 59 10.914 -6.451 -6.087 1.00 0.00 H new ATOM 0 HB3 LYS A 59 10.174 -5.746 -4.663 1.00 0.00 H new ATOM 0 HG2 LYS A 59 11.856 -6.750 -3.200 1.00 0.00 H new ATOM 0 HG3 LYS A 59 12.513 -7.702 -4.517 1.00 0.00 H new ATOM 0 HD2 LYS A 59 13.969 -5.765 -4.089 1.00 0.00 H new ATOM 0 HD3 LYS A 59 13.249 -5.623 -5.681 1.00 0.00 H new ATOM 0 HE2 LYS A 59 11.498 -4.078 -4.686 1.00 0.00 H new ATOM 0 HE3 LYS A 59 12.364 -4.144 -3.164 1.00 0.00 H new ATOM 0 HZ1 LYS A 59 12.965 -2.198 -4.430 1.00 0.00 H new ATOM 0 HZ2 LYS A 59 14.310 -3.221 -4.263 1.00 0.00 H new ATOM 0 HZ3 LYS A 59 13.471 -3.157 -5.738 1.00 0.00 H new ATOM 913 N TRP A 60 8.295 -7.328 -3.017 1.00 0.00 N ATOM 914 CA TRP A 60 7.739 -7.425 -1.645 1.00 0.00 C ATOM 915 C TRP A 60 7.113 -8.813 -1.400 1.00 0.00 C ATOM 916 O TRP A 60 7.241 -9.379 -0.308 1.00 0.00 O ATOM 917 CB TRP A 60 6.689 -6.303 -1.404 1.00 0.00 C ATOM 918 CG TRP A 60 7.257 -4.895 -1.345 1.00 0.00 C ATOM 919 CD1 TRP A 60 8.563 -4.503 -1.499 1.00 0.00 C ATOM 920 CD2 TRP A 60 6.521 -3.694 -1.095 1.00 0.00 C ATOM 921 NE1 TRP A 60 8.668 -3.144 -1.374 1.00 0.00 N ATOM 922 CE2 TRP A 60 7.430 -2.625 -1.116 1.00 0.00 C ATOM 923 CE3 TRP A 60 5.175 -3.425 -0.848 1.00 0.00 C ATOM 924 CZ2 TRP A 60 7.042 -1.310 -0.903 1.00 0.00 C ATOM 925 CZ3 TRP A 60 4.789 -2.117 -0.638 1.00 0.00 C ATOM 926 CH2 TRP A 60 5.720 -1.074 -0.661 1.00 0.00 C ATOM 0 H TRP A 60 7.824 -6.635 -3.599 1.00 0.00 H new ATOM 0 HA TRP A 60 8.557 -7.294 -0.937 1.00 0.00 H new ATOM 0 HB2 TRP A 60 5.945 -6.346 -2.199 1.00 0.00 H new ATOM 0 HB3 TRP A 60 6.168 -6.508 -0.469 1.00 0.00 H new ATOM 0 HD1 TRP A 60 9.390 -5.171 -1.691 1.00 0.00 H new ATOM 0 HE1 TRP A 60 9.530 -2.606 -1.460 1.00 0.00 H new ATOM 0 HE3 TRP A 60 4.449 -4.224 -0.822 1.00 0.00 H new ATOM 0 HZ2 TRP A 60 7.760 -0.503 -0.928 1.00 0.00 H new ATOM 0 HZ3 TRP A 60 3.749 -1.895 -0.452 1.00 0.00 H new ATOM 0 HH2 TRP A 60 5.386 -0.062 -0.484 1.00 0.00 H new ATOM 937 N THR A 61 6.413 -9.324 -2.428 1.00 0.00 N ATOM 938 CA THR A 61 5.886 -10.702 -2.467 1.00 0.00 C ATOM 939 C THR A 61 7.005 -11.740 -2.235 1.00 0.00 C ATOM 940 O THR A 61 6.848 -12.651 -1.423 1.00 0.00 O ATOM 941 CB THR A 61 5.159 -10.966 -3.834 1.00 0.00 C ATOM 942 OG1 THR A 61 4.059 -10.049 -3.976 1.00 0.00 O ATOM 943 CG2 THR A 61 4.624 -12.405 -3.971 1.00 0.00 C ATOM 0 H THR A 61 6.194 -8.786 -3.266 1.00 0.00 H new ATOM 0 HA THR A 61 5.164 -10.811 -1.658 1.00 0.00 H new ATOM 0 HB THR A 61 5.903 -10.819 -4.617 1.00 0.00 H new ATOM 0 HG1 THR A 61 4.401 -9.162 -4.212 1.00 0.00 H new ATOM 0 HG21 THR A 61 4.133 -12.520 -4.937 1.00 0.00 H new ATOM 0 HG22 THR A 61 5.452 -13.110 -3.898 1.00 0.00 H new ATOM 0 HG23 THR A 61 3.907 -12.604 -3.174 1.00 0.00 H new ATOM 951 N GLN A 62 8.147 -11.553 -2.929 1.00 0.00 N ATOM 952 CA GLN A 62 9.313 -12.455 -2.818 1.00 0.00 C ATOM 953 C GLN A 62 9.962 -12.362 -1.418 1.00 0.00 C ATOM 954 O GLN A 62 10.477 -13.364 -0.904 1.00 0.00 O ATOM 955 CB GLN A 62 10.360 -12.150 -3.931 1.00 0.00 C ATOM 956 CG GLN A 62 11.562 -13.124 -3.978 1.00 0.00 C ATOM 957 CD GLN A 62 11.157 -14.584 -4.222 1.00 0.00 C ATOM 958 OE1 GLN A 62 10.907 -15.352 -3.283 1.00 0.00 O ATOM 959 NE2 GLN A 62 11.075 -14.982 -5.482 1.00 0.00 N ATOM 0 H GLN A 62 8.287 -10.778 -3.578 1.00 0.00 H new ATOM 0 HA GLN A 62 8.956 -13.476 -2.955 1.00 0.00 H new ATOM 0 HB2 GLN A 62 9.857 -12.169 -4.898 1.00 0.00 H new ATOM 0 HB3 GLN A 62 10.737 -11.137 -3.788 1.00 0.00 H new ATOM 0 HG2 GLN A 62 12.245 -12.808 -4.766 1.00 0.00 H new ATOM 0 HG3 GLN A 62 12.109 -13.059 -3.037 1.00 0.00 H new ATOM 0 HE21 GLN A 62 11.286 -14.330 -6.238 1.00 0.00 H new ATOM 0 HE22 GLN A 62 10.801 -15.941 -5.697 1.00 0.00 H new ATOM 968 N GLU A 63 9.923 -11.157 -0.803 1.00 0.00 N ATOM 969 CA GLU A 63 10.397 -10.950 0.580 1.00 0.00 C ATOM 970 C GLU A 63 9.638 -11.865 1.549 1.00 0.00 C ATOM 971 O GLU A 63 10.243 -12.550 2.374 1.00 0.00 O ATOM 972 CB GLU A 63 10.239 -9.471 1.030 1.00 0.00 C ATOM 973 CG GLU A 63 11.013 -8.439 0.197 1.00 0.00 C ATOM 974 CD GLU A 63 12.510 -8.761 0.068 1.00 0.00 C ATOM 975 OE1 GLU A 63 13.255 -8.581 1.055 1.00 0.00 O ATOM 976 OE2 GLU A 63 12.950 -9.219 -1.014 1.00 0.00 O ATOM 0 H GLU A 63 9.566 -10.311 -1.248 1.00 0.00 H new ATOM 0 HA GLU A 63 11.458 -11.199 0.598 1.00 0.00 H new ATOM 0 HB2 GLU A 63 9.180 -9.213 1.004 1.00 0.00 H new ATOM 0 HB3 GLU A 63 10.561 -9.389 2.068 1.00 0.00 H new ATOM 0 HG2 GLU A 63 10.573 -8.383 -0.799 1.00 0.00 H new ATOM 0 HG3 GLU A 63 10.898 -7.455 0.652 1.00 0.00 H new ATOM 983 N VAL A 64 8.305 -11.895 1.399 1.00 0.00 N ATOM 984 CA VAL A 64 7.425 -12.711 2.252 1.00 0.00 C ATOM 985 C VAL A 64 7.658 -14.216 1.991 1.00 0.00 C ATOM 986 O VAL A 64 7.798 -15.009 2.933 1.00 0.00 O ATOM 987 CB VAL A 64 5.906 -12.341 2.056 1.00 0.00 C ATOM 988 CG1 VAL A 64 4.997 -13.165 3.013 1.00 0.00 C ATOM 989 CG2 VAL A 64 5.683 -10.814 2.248 1.00 0.00 C ATOM 0 H VAL A 64 7.808 -11.358 0.688 1.00 0.00 H new ATOM 0 HA VAL A 64 7.681 -12.491 3.288 1.00 0.00 H new ATOM 0 HB VAL A 64 5.626 -12.599 1.035 1.00 0.00 H new ATOM 0 HG11 VAL A 64 3.955 -12.887 2.854 1.00 0.00 H new ATOM 0 HG12 VAL A 64 5.124 -14.228 2.810 1.00 0.00 H new ATOM 0 HG13 VAL A 64 5.274 -12.957 4.047 1.00 0.00 H new ATOM 0 HG21 VAL A 64 4.628 -10.580 2.108 1.00 0.00 H new ATOM 0 HG22 VAL A 64 5.989 -10.525 3.254 1.00 0.00 H new ATOM 0 HG23 VAL A 64 6.276 -10.265 1.517 1.00 0.00 H new ATOM 999 N ASN A 65 7.738 -14.576 0.698 1.00 0.00 N ATOM 1000 CA ASN A 65 7.930 -15.969 0.238 1.00 0.00 C ATOM 1001 C ASN A 65 9.243 -16.597 0.742 1.00 0.00 C ATOM 1002 O ASN A 65 9.277 -17.799 1.028 1.00 0.00 O ATOM 1003 CB ASN A 65 7.869 -16.046 -1.314 1.00 0.00 C ATOM 1004 CG ASN A 65 6.491 -15.706 -1.889 1.00 0.00 C ATOM 1005 OD1 ASN A 65 5.464 -15.899 -1.241 1.00 0.00 O ATOM 1006 ND2 ASN A 65 6.455 -15.210 -3.114 1.00 0.00 N ATOM 0 H ASN A 65 7.671 -13.904 -0.067 1.00 0.00 H new ATOM 0 HA ASN A 65 7.113 -16.548 0.668 1.00 0.00 H new ATOM 0 HB2 ASN A 65 8.607 -15.362 -1.733 1.00 0.00 H new ATOM 0 HB3 ASN A 65 8.148 -17.051 -1.631 1.00 0.00 H new ATOM 0 HD21 ASN A 65 5.560 -14.977 -3.544 1.00 0.00 H new ATOM 0 HD22 ASN A 65 7.322 -15.060 -3.629 1.00 0.00 H new ATOM 1013 N ASP A 66 10.319 -15.798 0.853 1.00 0.00 N ATOM 1014 CA ASP A 66 11.648 -16.280 1.294 1.00 0.00 C ATOM 1015 C ASP A 66 11.806 -16.174 2.832 1.00 0.00 C ATOM 1016 O ASP A 66 12.780 -16.689 3.400 1.00 0.00 O ATOM 1017 CB ASP A 66 12.767 -15.484 0.562 1.00 0.00 C ATOM 1018 CG ASP A 66 14.183 -16.068 0.770 1.00 0.00 C ATOM 1019 OD1 ASP A 66 14.519 -17.086 0.124 1.00 0.00 O ATOM 1020 OD2 ASP A 66 14.964 -15.528 1.581 1.00 0.00 O ATOM 0 H ASP A 66 10.296 -14.801 0.641 1.00 0.00 H new ATOM 0 HA ASP A 66 11.737 -17.334 1.033 1.00 0.00 H new ATOM 0 HB2 ASP A 66 12.546 -15.462 -0.505 1.00 0.00 H new ATOM 0 HB3 ASP A 66 12.754 -14.452 0.912 1.00 0.00 H new ATOM 1025 N GLY A 67 10.843 -15.513 3.507 1.00 0.00 N ATOM 1026 CA GLY A 67 10.875 -15.334 4.967 1.00 0.00 C ATOM 1027 C GLY A 67 11.636 -14.093 5.413 1.00 0.00 C ATOM 1028 O GLY A 67 11.912 -13.922 6.604 1.00 0.00 O ATOM 0 H GLY A 67 10.030 -15.093 3.057 1.00 0.00 H new ATOM 0 HA2 GLY A 67 9.852 -15.276 5.340 1.00 0.00 H new ATOM 0 HA3 GLY A 67 11.331 -16.213 5.422 1.00 0.00 H new ATOM 1032 N LYS A 68 11.963 -13.222 4.451 1.00 0.00 N ATOM 1033 CA LYS A 68 12.675 -11.955 4.709 1.00 0.00 C ATOM 1034 C LYS A 68 11.733 -10.944 5.386 1.00 0.00 C ATOM 1035 O LYS A 68 12.159 -10.153 6.232 1.00 0.00 O ATOM 1036 CB LYS A 68 13.216 -11.364 3.379 1.00 0.00 C ATOM 1037 CG LYS A 68 14.157 -12.269 2.538 1.00 0.00 C ATOM 1038 CD LYS A 68 15.585 -12.486 3.134 1.00 0.00 C ATOM 1039 CE LYS A 68 15.641 -13.537 4.263 1.00 0.00 C ATOM 1040 NZ LYS A 68 17.028 -13.895 4.634 1.00 0.00 N ATOM 0 H LYS A 68 11.742 -13.372 3.467 1.00 0.00 H new ATOM 0 HA LYS A 68 13.514 -12.157 5.374 1.00 0.00 H new ATOM 0 HB2 LYS A 68 12.363 -11.091 2.757 1.00 0.00 H new ATOM 0 HB3 LYS A 68 13.750 -10.442 3.610 1.00 0.00 H new ATOM 0 HG2 LYS A 68 13.682 -13.242 2.413 1.00 0.00 H new ATOM 0 HG3 LYS A 68 14.259 -11.834 1.544 1.00 0.00 H new ATOM 0 HD2 LYS A 68 16.259 -12.791 2.334 1.00 0.00 H new ATOM 0 HD3 LYS A 68 15.956 -11.535 3.518 1.00 0.00 H new ATOM 0 HE2 LYS A 68 15.121 -13.152 5.140 1.00 0.00 H new ATOM 0 HE3 LYS A 68 15.110 -14.434 3.947 1.00 0.00 H new ATOM 0 HZ1 LYS A 68 17.012 -14.603 5.395 1.00 0.00 H new ATOM 0 HZ2 LYS A 68 17.518 -14.288 3.806 1.00 0.00 H new ATOM 0 HZ3 LYS A 68 17.530 -13.045 4.962 1.00 0.00 H new ATOM 1054 N ALA A 69 10.449 -11.024 5.020 1.00 0.00 N ATOM 1055 CA ALA A 69 9.408 -10.111 5.500 1.00 0.00 C ATOM 1056 C ALA A 69 8.106 -10.878 5.726 1.00 0.00 C ATOM 1057 O ALA A 69 7.956 -12.014 5.267 1.00 0.00 O ATOM 1058 CB ALA A 69 9.189 -8.972 4.497 1.00 0.00 C ATOM 0 H ALA A 69 10.100 -11.733 4.375 1.00 0.00 H new ATOM 0 HA ALA A 69 9.731 -9.677 6.446 1.00 0.00 H new ATOM 0 HB1 ALA A 69 8.413 -8.304 4.869 1.00 0.00 H new ATOM 0 HB2 ALA A 69 10.117 -8.415 4.370 1.00 0.00 H new ATOM 0 HB3 ALA A 69 8.881 -9.387 3.537 1.00 0.00 H new ATOM 1064 N THR A 70 7.196 -10.263 6.481 1.00 0.00 N ATOM 1065 CA THR A 70 5.820 -10.764 6.632 1.00 0.00 C ATOM 1066 C THR A 70 4.855 -9.840 5.856 1.00 0.00 C ATOM 1067 O THR A 70 5.202 -8.681 5.554 1.00 0.00 O ATOM 1068 CB THR A 70 5.410 -10.879 8.146 1.00 0.00 C ATOM 1069 OG1 THR A 70 4.077 -11.416 8.267 1.00 0.00 O ATOM 1070 CG2 THR A 70 5.487 -9.531 8.885 1.00 0.00 C ATOM 0 H THR A 70 7.385 -9.408 7.004 1.00 0.00 H new ATOM 0 HA THR A 70 5.763 -11.770 6.216 1.00 0.00 H new ATOM 0 HB THR A 70 6.128 -11.554 8.612 1.00 0.00 H new ATOM 0 HG1 THR A 70 3.836 -11.483 9.215 1.00 0.00 H new ATOM 0 HG21 THR A 70 5.193 -9.669 9.926 1.00 0.00 H new ATOM 0 HG22 THR A 70 6.508 -9.151 8.843 1.00 0.00 H new ATOM 0 HG23 THR A 70 4.814 -8.817 8.410 1.00 0.00 H new ATOM 1078 N THR A 71 3.657 -10.377 5.523 1.00 0.00 N ATOM 1079 CA THR A 71 2.587 -9.620 4.832 1.00 0.00 C ATOM 1080 C THR A 71 2.167 -8.372 5.637 1.00 0.00 C ATOM 1081 O THR A 71 1.801 -7.358 5.052 1.00 0.00 O ATOM 1082 CB THR A 71 1.327 -10.507 4.555 1.00 0.00 C ATOM 1083 OG1 THR A 71 0.919 -11.166 5.765 1.00 0.00 O ATOM 1084 CG2 THR A 71 1.589 -11.551 3.456 1.00 0.00 C ATOM 0 H THR A 71 3.406 -11.345 5.725 1.00 0.00 H new ATOM 0 HA THR A 71 3.005 -9.303 3.876 1.00 0.00 H new ATOM 0 HB THR A 71 0.531 -9.850 4.204 1.00 0.00 H new ATOM 0 HG1 THR A 71 0.129 -11.718 5.586 1.00 0.00 H new ATOM 0 HG21 THR A 71 0.689 -12.145 3.296 1.00 0.00 H new ATOM 0 HG22 THR A 71 1.859 -11.044 2.530 1.00 0.00 H new ATOM 0 HG23 THR A 71 2.405 -12.205 3.763 1.00 0.00 H new ATOM 1092 N GLU A 72 2.278 -8.460 6.980 1.00 0.00 N ATOM 1093 CA GLU A 72 1.979 -7.344 7.903 1.00 0.00 C ATOM 1094 C GLU A 72 2.765 -6.077 7.516 1.00 0.00 C ATOM 1095 O GLU A 72 2.192 -4.987 7.412 1.00 0.00 O ATOM 1096 CB GLU A 72 2.260 -7.796 9.378 1.00 0.00 C ATOM 1097 CG GLU A 72 2.174 -6.709 10.497 1.00 0.00 C ATOM 1098 CD GLU A 72 3.488 -5.928 10.749 1.00 0.00 C ATOM 1099 OE1 GLU A 72 4.590 -6.503 10.565 1.00 0.00 O ATOM 1100 OE2 GLU A 72 3.427 -4.742 11.140 1.00 0.00 O ATOM 0 H GLU A 72 2.579 -9.310 7.456 1.00 0.00 H new ATOM 0 HA GLU A 72 0.924 -7.083 7.826 1.00 0.00 H new ATOM 0 HB2 GLU A 72 1.555 -8.590 9.626 1.00 0.00 H new ATOM 0 HB3 GLU A 72 3.258 -8.234 9.411 1.00 0.00 H new ATOM 0 HG2 GLU A 72 1.391 -5.998 10.234 1.00 0.00 H new ATOM 0 HG3 GLU A 72 1.869 -7.189 11.427 1.00 0.00 H new ATOM 1107 N GLN A 73 4.061 -6.251 7.219 1.00 0.00 N ATOM 1108 CA GLN A 73 4.981 -5.135 6.943 1.00 0.00 C ATOM 1109 C GLN A 73 4.612 -4.352 5.653 1.00 0.00 C ATOM 1110 O GLN A 73 4.967 -3.174 5.517 1.00 0.00 O ATOM 1111 CB GLN A 73 6.438 -5.659 6.873 1.00 0.00 C ATOM 1112 CG GLN A 73 7.523 -4.551 6.843 1.00 0.00 C ATOM 1113 CD GLN A 73 8.962 -5.064 6.779 1.00 0.00 C ATOM 1114 OE1 GLN A 73 9.191 -6.160 6.074 1.00 0.00 O flip ATOM 1115 NE2 GLN A 73 9.876 -4.447 7.326 1.00 0.00 N flip ATOM 0 H GLN A 73 4.502 -7.169 7.163 1.00 0.00 H new ATOM 0 HA GLN A 73 4.888 -4.427 7.766 1.00 0.00 H new ATOM 0 HB2 GLN A 73 6.620 -6.304 7.733 1.00 0.00 H new ATOM 0 HB3 GLN A 73 6.545 -6.278 5.982 1.00 0.00 H new ATOM 0 HG2 GLN A 73 7.343 -3.909 5.981 1.00 0.00 H new ATOM 0 HG3 GLN A 73 7.413 -3.930 7.732 1.00 0.00 H new ATOM 0 HE21 GLN A 73 9.672 -3.605 7.864 1.00 0.00 H new ATOM 0 HE22 GLN A 73 10.837 -4.778 7.241 1.00 0.00 H new ATOM 1124 N TYR A 74 3.884 -5.000 4.714 1.00 0.00 N ATOM 1125 CA TYR A 74 3.599 -4.418 3.371 1.00 0.00 C ATOM 1126 C TYR A 74 2.097 -4.399 3.005 1.00 0.00 C ATOM 1127 O TYR A 74 1.748 -3.984 1.894 1.00 0.00 O ATOM 1128 CB TYR A 74 4.423 -5.190 2.295 1.00 0.00 C ATOM 1129 CG TYR A 74 5.943 -5.049 2.472 1.00 0.00 C ATOM 1130 CD1 TYR A 74 6.524 -3.783 2.563 1.00 0.00 C ATOM 1131 CD2 TYR A 74 6.787 -6.161 2.542 1.00 0.00 C ATOM 1132 CE1 TYR A 74 7.876 -3.630 2.722 1.00 0.00 C ATOM 1133 CE2 TYR A 74 8.149 -6.006 2.701 1.00 0.00 C ATOM 1134 CZ TYR A 74 8.685 -4.739 2.789 1.00 0.00 C ATOM 1135 OH TYR A 74 10.040 -4.575 2.960 1.00 0.00 O ATOM 0 H TYR A 74 3.481 -5.926 4.857 1.00 0.00 H new ATOM 0 HA TYR A 74 3.901 -3.371 3.402 1.00 0.00 H new ATOM 0 HB2 TYR A 74 4.157 -6.246 2.333 1.00 0.00 H new ATOM 0 HB3 TYR A 74 4.145 -4.827 1.306 1.00 0.00 H new ATOM 0 HD1 TYR A 74 5.895 -2.907 2.507 1.00 0.00 H new ATOM 0 HD2 TYR A 74 6.368 -7.154 2.471 1.00 0.00 H new ATOM 0 HE1 TYR A 74 8.305 -2.641 2.794 1.00 0.00 H new ATOM 0 HE2 TYR A 74 8.791 -6.872 2.756 1.00 0.00 H new ATOM 0 HH TYR A 74 10.475 -5.453 2.989 1.00 0.00 H new ATOM 1145 N PHE A 75 1.202 -4.811 3.928 1.00 0.00 N ATOM 1146 CA PHE A 75 -0.264 -4.855 3.661 1.00 0.00 C ATOM 1147 C PHE A 75 -1.054 -4.026 4.695 1.00 0.00 C ATOM 1148 O PHE A 75 -2.153 -3.554 4.380 1.00 0.00 O ATOM 1149 CB PHE A 75 -0.778 -6.329 3.594 1.00 0.00 C ATOM 1150 CG PHE A 75 -0.401 -7.097 2.304 1.00 0.00 C ATOM 1151 CD1 PHE A 75 0.904 -7.534 2.077 1.00 0.00 C ATOM 1152 CD2 PHE A 75 -1.356 -7.380 1.323 1.00 0.00 C ATOM 1153 CE1 PHE A 75 1.242 -8.217 0.922 1.00 0.00 C ATOM 1154 CE2 PHE A 75 -1.016 -8.065 0.169 1.00 0.00 C ATOM 1155 CZ PHE A 75 0.283 -8.482 -0.032 1.00 0.00 C ATOM 0 H PHE A 75 1.462 -5.119 4.865 1.00 0.00 H new ATOM 0 HA PHE A 75 -0.436 -4.400 2.686 1.00 0.00 H new ATOM 0 HB2 PHE A 75 -0.384 -6.874 4.451 1.00 0.00 H new ATOM 0 HB3 PHE A 75 -1.864 -6.324 3.691 1.00 0.00 H new ATOM 0 HD1 PHE A 75 1.665 -7.335 2.817 1.00 0.00 H new ATOM 0 HD2 PHE A 75 -2.377 -7.059 1.468 1.00 0.00 H new ATOM 0 HE1 PHE A 75 2.260 -8.543 0.768 1.00 0.00 H new ATOM 0 HE2 PHE A 75 -1.770 -8.273 -0.576 1.00 0.00 H new ATOM 0 HZ PHE A 75 0.548 -9.014 -0.934 1.00 0.00 H new ATOM 1165 N VAL A 76 -0.518 -3.862 5.935 1.00 0.00 N ATOM 1166 CA VAL A 76 -1.124 -2.947 6.942 1.00 0.00 C ATOM 1167 C VAL A 76 -1.041 -1.497 6.419 1.00 0.00 C ATOM 1168 O VAL A 76 0.011 -1.094 5.946 1.00 0.00 O ATOM 1169 CB VAL A 76 -0.440 -3.057 8.364 1.00 0.00 C ATOM 1170 CG1 VAL A 76 -1.033 -2.042 9.370 1.00 0.00 C ATOM 1171 CG2 VAL A 76 -0.548 -4.489 8.933 1.00 0.00 C ATOM 0 H VAL A 76 0.321 -4.344 6.258 1.00 0.00 H new ATOM 0 HA VAL A 76 -2.164 -3.244 7.077 1.00 0.00 H new ATOM 0 HB VAL A 76 0.614 -2.817 8.222 1.00 0.00 H new ATOM 0 HG11 VAL A 76 -0.535 -2.151 10.333 1.00 0.00 H new ATOM 0 HG12 VAL A 76 -0.882 -1.029 8.997 1.00 0.00 H new ATOM 0 HG13 VAL A 76 -2.100 -2.229 9.490 1.00 0.00 H new ATOM 0 HG21 VAL A 76 -0.068 -4.529 9.911 1.00 0.00 H new ATOM 0 HG22 VAL A 76 -1.598 -4.763 9.033 1.00 0.00 H new ATOM 0 HG23 VAL A 76 -0.054 -5.187 8.257 1.00 0.00 H new ATOM 1181 N LEU A 77 -2.152 -0.744 6.496 1.00 0.00 N ATOM 1182 CA LEU A 77 -2.286 0.571 5.825 1.00 0.00 C ATOM 1183 C LEU A 77 -1.240 1.604 6.275 1.00 0.00 C ATOM 1184 O LEU A 77 -0.688 2.312 5.431 1.00 0.00 O ATOM 1185 CB LEU A 77 -3.710 1.146 6.001 1.00 0.00 C ATOM 1186 CG LEU A 77 -4.862 0.305 5.364 1.00 0.00 C ATOM 1187 CD1 LEU A 77 -6.193 1.072 5.353 1.00 0.00 C ATOM 1188 CD2 LEU A 77 -4.481 -0.187 3.953 1.00 0.00 C ATOM 0 H LEU A 77 -2.981 -1.023 7.021 1.00 0.00 H new ATOM 0 HA LEU A 77 -2.101 0.378 4.768 1.00 0.00 H new ATOM 0 HB2 LEU A 77 -3.910 1.253 7.067 1.00 0.00 H new ATOM 0 HB3 LEU A 77 -3.734 2.147 5.570 1.00 0.00 H new ATOM 0 HG LEU A 77 -5.006 -0.574 5.993 1.00 0.00 H new ATOM 0 HD11 LEU A 77 -6.967 0.451 4.902 1.00 0.00 H new ATOM 0 HD12 LEU A 77 -6.478 1.321 6.375 1.00 0.00 H new ATOM 0 HD13 LEU A 77 -6.080 1.989 4.774 1.00 0.00 H new ATOM 0 HD21 LEU A 77 -5.303 -0.769 3.536 1.00 0.00 H new ATOM 0 HD22 LEU A 77 -4.281 0.670 3.310 1.00 0.00 H new ATOM 0 HD23 LEU A 77 -3.589 -0.811 4.014 1.00 0.00 H new ATOM 1200 N LYS A 78 -0.986 1.695 7.598 1.00 0.00 N ATOM 1201 CA LYS A 78 0.045 2.620 8.147 1.00 0.00 C ATOM 1202 C LYS A 78 1.469 2.244 7.649 1.00 0.00 C ATOM 1203 O LYS A 78 2.305 3.127 7.411 1.00 0.00 O ATOM 1204 CB LYS A 78 -0.001 2.642 9.702 1.00 0.00 C ATOM 1205 CG LYS A 78 0.380 1.308 10.380 1.00 0.00 C ATOM 1206 CD LYS A 78 0.355 1.368 11.919 1.00 0.00 C ATOM 1207 CE LYS A 78 0.857 0.059 12.562 1.00 0.00 C ATOM 1208 NZ LYS A 78 2.294 -0.214 12.270 1.00 0.00 N ATOM 0 H LYS A 78 -1.473 1.146 8.306 1.00 0.00 H new ATOM 0 HA LYS A 78 -0.184 3.621 7.781 1.00 0.00 H new ATOM 0 HB2 LYS A 78 0.672 3.421 10.060 1.00 0.00 H new ATOM 0 HB3 LYS A 78 -1.007 2.920 10.018 1.00 0.00 H new ATOM 0 HG2 LYS A 78 -0.306 0.531 10.044 1.00 0.00 H new ATOM 0 HG3 LYS A 78 1.378 1.016 10.052 1.00 0.00 H new ATOM 0 HD2 LYS A 78 0.974 2.198 12.259 1.00 0.00 H new ATOM 0 HD3 LYS A 78 -0.662 1.570 12.256 1.00 0.00 H new ATOM 0 HE2 LYS A 78 0.714 0.111 13.641 1.00 0.00 H new ATOM 0 HE3 LYS A 78 0.253 -0.773 12.200 1.00 0.00 H new ATOM 0 HZ1 LYS A 78 2.623 -1.006 12.858 1.00 0.00 H new ATOM 0 HZ2 LYS A 78 2.404 -0.460 11.265 1.00 0.00 H new ATOM 0 HZ3 LYS A 78 2.859 0.633 12.483 1.00 0.00 H new ATOM 1222 N ASN A 79 1.718 0.931 7.476 1.00 0.00 N ATOM 1223 CA ASN A 79 3.010 0.381 7.006 1.00 0.00 C ATOM 1224 C ASN A 79 3.225 0.702 5.532 1.00 0.00 C ATOM 1225 O ASN A 79 4.278 1.193 5.150 1.00 0.00 O ATOM 1226 CB ASN A 79 3.027 -1.156 7.198 1.00 0.00 C ATOM 1227 CG ASN A 79 2.943 -1.604 8.647 1.00 0.00 C ATOM 1228 OD1 ASN A 79 2.489 -0.880 9.520 1.00 0.00 O ATOM 1229 ND2 ASN A 79 3.314 -2.829 8.900 1.00 0.00 N ATOM 0 H ASN A 79 1.020 0.211 7.661 1.00 0.00 H new ATOM 0 HA ASN A 79 3.810 0.836 7.590 1.00 0.00 H new ATOM 0 HB2 ASN A 79 2.192 -1.589 6.647 1.00 0.00 H new ATOM 0 HB3 ASN A 79 3.941 -1.556 6.758 1.00 0.00 H new ATOM 0 HD21 ASN A 79 3.228 -3.203 9.845 1.00 0.00 H new ATOM 0 HD22 ASN A 79 3.690 -3.413 8.153 1.00 0.00 H new ATOM 1236 N LEU A 80 2.208 0.368 4.721 1.00 0.00 N ATOM 1237 CA LEU A 80 2.156 0.668 3.285 1.00 0.00 C ATOM 1238 C LEU A 80 2.364 2.176 3.030 1.00 0.00 C ATOM 1239 O LEU A 80 3.154 2.563 2.176 1.00 0.00 O ATOM 1240 CB LEU A 80 0.790 0.199 2.701 1.00 0.00 C ATOM 1241 CG LEU A 80 0.606 0.343 1.156 1.00 0.00 C ATOM 1242 CD1 LEU A 80 1.645 -0.493 0.383 1.00 0.00 C ATOM 1243 CD2 LEU A 80 -0.831 -0.024 0.732 1.00 0.00 C ATOM 0 H LEU A 80 1.382 -0.129 5.055 1.00 0.00 H new ATOM 0 HA LEU A 80 2.962 0.130 2.785 1.00 0.00 H new ATOM 0 HB2 LEU A 80 0.648 -0.849 2.965 1.00 0.00 H new ATOM 0 HB3 LEU A 80 -0.003 0.762 3.193 1.00 0.00 H new ATOM 0 HG LEU A 80 0.774 1.389 0.901 1.00 0.00 H new ATOM 0 HD11 LEU A 80 1.487 -0.369 -0.688 1.00 0.00 H new ATOM 0 HD12 LEU A 80 2.649 -0.157 0.643 1.00 0.00 H new ATOM 0 HD13 LEU A 80 1.535 -1.545 0.647 1.00 0.00 H new ATOM 0 HD21 LEU A 80 -0.931 0.085 -0.348 1.00 0.00 H new ATOM 0 HD22 LEU A 80 -1.041 -1.056 1.013 1.00 0.00 H new ATOM 0 HD23 LEU A 80 -1.538 0.639 1.231 1.00 0.00 H new ATOM 1255 N ALA A 81 1.684 2.996 3.846 1.00 0.00 N ATOM 1256 CA ALA A 81 1.772 4.467 3.806 1.00 0.00 C ATOM 1257 C ALA A 81 3.184 4.959 4.144 1.00 0.00 C ATOM 1258 O ALA A 81 3.645 5.956 3.587 1.00 0.00 O ATOM 1259 CB ALA A 81 0.750 5.081 4.771 1.00 0.00 C ATOM 0 H ALA A 81 1.047 2.652 4.564 1.00 0.00 H new ATOM 0 HA ALA A 81 1.546 4.788 2.789 1.00 0.00 H new ATOM 0 HB1 ALA A 81 0.823 6.168 4.735 1.00 0.00 H new ATOM 0 HB2 ALA A 81 -0.255 4.774 4.480 1.00 0.00 H new ATOM 0 HB3 ALA A 81 0.955 4.738 5.785 1.00 0.00 H new ATOM 1265 N ALA A 82 3.850 4.249 5.072 1.00 0.00 N ATOM 1266 CA ALA A 82 5.236 4.556 5.467 1.00 0.00 C ATOM 1267 C ALA A 82 6.202 4.266 4.303 1.00 0.00 C ATOM 1268 O ALA A 82 7.020 5.110 3.948 1.00 0.00 O ATOM 1269 CB ALA A 82 5.633 3.755 6.714 1.00 0.00 C ATOM 0 H ALA A 82 3.447 3.453 5.566 1.00 0.00 H new ATOM 0 HA ALA A 82 5.299 5.617 5.711 1.00 0.00 H new ATOM 0 HB1 ALA A 82 6.660 3.996 6.989 1.00 0.00 H new ATOM 0 HB2 ALA A 82 4.967 4.011 7.538 1.00 0.00 H new ATOM 0 HB3 ALA A 82 5.555 2.689 6.502 1.00 0.00 H new ATOM 1275 N ARG A 83 6.049 3.073 3.685 1.00 0.00 N ATOM 1276 CA ARG A 83 6.881 2.623 2.548 1.00 0.00 C ATOM 1277 C ARG A 83 6.760 3.580 1.357 1.00 0.00 C ATOM 1278 O ARG A 83 7.751 3.934 0.726 1.00 0.00 O ATOM 1279 CB ARG A 83 6.476 1.186 2.105 1.00 0.00 C ATOM 1280 CG ARG A 83 6.648 0.087 3.181 1.00 0.00 C ATOM 1281 CD ARG A 83 8.077 0.040 3.746 1.00 0.00 C ATOM 1282 NE ARG A 83 9.103 -0.144 2.692 1.00 0.00 N ATOM 1283 CZ ARG A 83 10.152 0.679 2.476 1.00 0.00 C ATOM 1284 NH1 ARG A 83 10.334 1.772 3.205 1.00 0.00 N ATOM 1285 NH2 ARG A 83 11.015 0.404 1.520 1.00 0.00 N ATOM 0 H ARG A 83 5.341 2.393 3.963 1.00 0.00 H new ATOM 0 HA ARG A 83 7.918 2.616 2.885 1.00 0.00 H new ATOM 0 HB2 ARG A 83 5.433 1.202 1.789 1.00 0.00 H new ATOM 0 HB3 ARG A 83 7.069 0.912 1.232 1.00 0.00 H new ATOM 0 HG2 ARG A 83 5.944 0.265 3.994 1.00 0.00 H new ATOM 0 HG3 ARG A 83 6.398 -0.882 2.750 1.00 0.00 H new ATOM 0 HD2 ARG A 83 8.280 0.964 4.287 1.00 0.00 H new ATOM 0 HD3 ARG A 83 8.152 -0.775 4.466 1.00 0.00 H new ATOM 0 HE ARG A 83 9.009 -0.956 2.082 1.00 0.00 H new ATOM 0 HH11 ARG A 83 9.674 2.006 3.947 1.00 0.00 H new ATOM 0 HH12 ARG A 83 11.134 2.379 3.024 1.00 0.00 H new ATOM 0 HH21 ARG A 83 10.890 -0.429 0.945 1.00 0.00 H new ATOM 0 HH22 ARG A 83 11.808 1.024 1.355 1.00 0.00 H new ATOM 1299 N ILE A 84 5.523 4.000 1.089 1.00 0.00 N ATOM 1300 CA ILE A 84 5.197 4.950 0.014 1.00 0.00 C ATOM 1301 C ILE A 84 5.744 6.348 0.344 1.00 0.00 C ATOM 1302 O ILE A 84 6.177 7.065 -0.553 1.00 0.00 O ATOM 1303 CB ILE A 84 3.643 4.976 -0.244 1.00 0.00 C ATOM 1304 CG1 ILE A 84 3.188 3.586 -0.795 1.00 0.00 C ATOM 1305 CG2 ILE A 84 3.200 6.130 -1.187 1.00 0.00 C ATOM 1306 CD1 ILE A 84 1.691 3.392 -0.861 1.00 0.00 C ATOM 0 H ILE A 84 4.707 3.689 1.616 1.00 0.00 H new ATOM 0 HA ILE A 84 5.679 4.620 -0.906 1.00 0.00 H new ATOM 0 HB ILE A 84 3.151 5.172 0.709 1.00 0.00 H new ATOM 0 HG12 ILE A 84 3.602 3.453 -1.794 1.00 0.00 H new ATOM 0 HG13 ILE A 84 3.615 2.804 -0.167 1.00 0.00 H new ATOM 0 HG21 ILE A 84 2.119 6.093 -1.325 1.00 0.00 H new ATOM 0 HG22 ILE A 84 3.477 7.087 -0.745 1.00 0.00 H new ATOM 0 HG23 ILE A 84 3.693 6.020 -2.153 1.00 0.00 H new ATOM 0 HD11 ILE A 84 1.470 2.400 -1.255 1.00 0.00 H new ATOM 0 HD12 ILE A 84 1.267 3.488 0.139 1.00 0.00 H new ATOM 0 HD13 ILE A 84 1.255 4.148 -1.514 1.00 0.00 H new ATOM 1318 N ASP A 85 5.706 6.727 1.637 1.00 0.00 N ATOM 1319 CA ASP A 85 6.369 7.950 2.137 1.00 0.00 C ATOM 1320 C ASP A 85 7.894 7.933 1.845 1.00 0.00 C ATOM 1321 O ASP A 85 8.473 8.979 1.556 1.00 0.00 O ATOM 1322 CB ASP A 85 6.079 8.156 3.645 1.00 0.00 C ATOM 1323 CG ASP A 85 6.547 9.522 4.177 1.00 0.00 C ATOM 1324 OD1 ASP A 85 5.861 10.533 3.912 1.00 0.00 O ATOM 1325 OD2 ASP A 85 7.596 9.602 4.854 1.00 0.00 O ATOM 0 H ASP A 85 5.219 6.199 2.361 1.00 0.00 H new ATOM 0 HA ASP A 85 5.951 8.800 1.598 1.00 0.00 H new ATOM 0 HB2 ASP A 85 5.008 8.055 3.818 1.00 0.00 H new ATOM 0 HB3 ASP A 85 6.570 7.366 4.213 1.00 0.00 H new ATOM 1330 N GLU A 86 8.520 6.739 1.890 1.00 0.00 N ATOM 1331 CA GLU A 86 9.935 6.583 1.463 1.00 0.00 C ATOM 1332 C GLU A 86 10.093 6.822 -0.052 1.00 0.00 C ATOM 1333 O GLU A 86 11.046 7.477 -0.478 1.00 0.00 O ATOM 1334 CB GLU A 86 10.517 5.184 1.835 1.00 0.00 C ATOM 1335 CG GLU A 86 11.116 5.063 3.254 1.00 0.00 C ATOM 1336 CD GLU A 86 10.090 5.095 4.391 1.00 0.00 C ATOM 1337 OE1 GLU A 86 9.765 6.200 4.887 1.00 0.00 O ATOM 1338 OE2 GLU A 86 9.610 4.016 4.807 1.00 0.00 O ATOM 0 H GLU A 86 8.080 5.877 2.212 1.00 0.00 H new ATOM 0 HA GLU A 86 10.501 7.340 2.006 1.00 0.00 H new ATOM 0 HB2 GLU A 86 9.725 4.442 1.730 1.00 0.00 H new ATOM 0 HB3 GLU A 86 11.291 4.929 1.111 1.00 0.00 H new ATOM 0 HG2 GLU A 86 11.678 4.131 3.317 1.00 0.00 H new ATOM 0 HG3 GLU A 86 11.827 5.875 3.403 1.00 0.00 H new ATOM 1345 N LEU A 87 9.160 6.265 -0.838 1.00 0.00 N ATOM 1346 CA LEU A 87 9.183 6.330 -2.315 1.00 0.00 C ATOM 1347 C LEU A 87 8.961 7.779 -2.842 1.00 0.00 C ATOM 1348 O LEU A 87 9.610 8.197 -3.804 1.00 0.00 O ATOM 1349 CB LEU A 87 8.123 5.347 -2.892 1.00 0.00 C ATOM 1350 CG LEU A 87 8.257 3.856 -2.416 1.00 0.00 C ATOM 1351 CD1 LEU A 87 7.068 2.991 -2.890 1.00 0.00 C ATOM 1352 CD2 LEU A 87 9.608 3.239 -2.849 1.00 0.00 C ATOM 0 H LEU A 87 8.360 5.752 -0.468 1.00 0.00 H new ATOM 0 HA LEU A 87 10.173 6.029 -2.657 1.00 0.00 H new ATOM 0 HB2 LEU A 87 7.131 5.709 -2.621 1.00 0.00 H new ATOM 0 HB3 LEU A 87 8.185 5.370 -3.980 1.00 0.00 H new ATOM 0 HG LEU A 87 8.235 3.868 -1.326 1.00 0.00 H new ATOM 0 HD11 LEU A 87 7.200 1.967 -2.539 1.00 0.00 H new ATOM 0 HD12 LEU A 87 6.140 3.396 -2.486 1.00 0.00 H new ATOM 0 HD13 LEU A 87 7.024 2.999 -3.979 1.00 0.00 H new ATOM 0 HD21 LEU A 87 9.665 2.207 -2.502 1.00 0.00 H new ATOM 0 HD22 LEU A 87 9.686 3.261 -3.936 1.00 0.00 H new ATOM 0 HD23 LEU A 87 10.426 3.813 -2.414 1.00 0.00 H new ATOM 1364 N VAL A 88 8.039 8.532 -2.211 1.00 0.00 N ATOM 1365 CA VAL A 88 7.764 9.951 -2.566 1.00 0.00 C ATOM 1366 C VAL A 88 8.884 10.887 -2.041 1.00 0.00 C ATOM 1367 O VAL A 88 9.146 11.943 -2.624 1.00 0.00 O ATOM 1368 CB VAL A 88 6.350 10.438 -2.055 1.00 0.00 C ATOM 1369 CG1 VAL A 88 5.204 9.579 -2.652 1.00 0.00 C ATOM 1370 CG2 VAL A 88 6.270 10.471 -0.507 1.00 0.00 C ATOM 0 H VAL A 88 7.464 8.183 -1.445 1.00 0.00 H new ATOM 0 HA VAL A 88 7.749 10.002 -3.655 1.00 0.00 H new ATOM 0 HB VAL A 88 6.223 11.461 -2.408 1.00 0.00 H new ATOM 0 HG11 VAL A 88 4.246 9.941 -2.280 1.00 0.00 H new ATOM 0 HG12 VAL A 88 5.222 9.653 -3.739 1.00 0.00 H new ATOM 0 HG13 VAL A 88 5.338 8.538 -2.357 1.00 0.00 H new ATOM 0 HG21 VAL A 88 5.281 10.812 -0.201 1.00 0.00 H new ATOM 0 HG22 VAL A 88 6.448 9.471 -0.112 1.00 0.00 H new ATOM 0 HG23 VAL A 88 7.025 11.154 -0.118 1.00 0.00 H new ATOM 1380 N ALA A 89 9.519 10.488 -0.924 1.00 0.00 N ATOM 1381 CA ALA A 89 10.733 11.175 -0.421 1.00 0.00 C ATOM 1382 C ALA A 89 11.900 10.980 -1.412 1.00 0.00 C ATOM 1383 O ALA A 89 12.683 11.908 -1.657 1.00 0.00 O ATOM 1384 CB ALA A 89 11.128 10.648 0.966 1.00 0.00 C ATOM 0 H ALA A 89 9.218 9.699 -0.352 1.00 0.00 H new ATOM 0 HA ALA A 89 10.511 12.238 -0.332 1.00 0.00 H new ATOM 0 HB1 ALA A 89 12.021 11.168 1.312 1.00 0.00 H new ATOM 0 HB2 ALA A 89 10.312 10.822 1.667 1.00 0.00 H new ATOM 0 HB3 ALA A 89 11.332 9.579 0.905 1.00 0.00 H new ATOM 1390 N ALA A 90 11.986 9.746 -1.965 1.00 0.00 N ATOM 1391 CA ALA A 90 13.018 9.339 -2.935 1.00 0.00 C ATOM 1392 C ALA A 90 13.066 10.262 -4.164 1.00 0.00 C ATOM 1393 O ALA A 90 14.144 10.688 -4.539 1.00 0.00 O ATOM 1394 CB ALA A 90 12.815 7.874 -3.365 1.00 0.00 C ATOM 0 H ALA A 90 11.328 8.999 -1.743 1.00 0.00 H new ATOM 0 HA ALA A 90 13.980 9.429 -2.430 1.00 0.00 H new ATOM 0 HB1 ALA A 90 13.588 7.595 -4.081 1.00 0.00 H new ATOM 0 HB2 ALA A 90 12.879 7.226 -2.491 1.00 0.00 H new ATOM 0 HB3 ALA A 90 11.834 7.763 -3.828 1.00 0.00 H new ATOM 1400 N LYS A 91 11.895 10.586 -4.769 1.00 0.00 N ATOM 1401 CA LYS A 91 11.840 11.466 -5.971 1.00 0.00 C ATOM 1402 C LYS A 91 12.357 12.881 -5.639 1.00 0.00 C ATOM 1403 O LYS A 91 13.047 13.510 -6.453 1.00 0.00 O ATOM 1404 CB LYS A 91 10.412 11.554 -6.574 1.00 0.00 C ATOM 1405 CG LYS A 91 9.378 12.351 -5.740 1.00 0.00 C ATOM 1406 CD LYS A 91 7.989 12.508 -6.413 1.00 0.00 C ATOM 1407 CE LYS A 91 7.158 11.212 -6.471 1.00 0.00 C ATOM 1408 NZ LYS A 91 7.707 10.218 -7.422 1.00 0.00 N ATOM 0 H LYS A 91 10.984 10.257 -4.451 1.00 0.00 H new ATOM 0 HA LYS A 91 12.488 11.012 -6.720 1.00 0.00 H new ATOM 0 HB2 LYS A 91 10.482 12.009 -7.562 1.00 0.00 H new ATOM 0 HB3 LYS A 91 10.034 10.541 -6.715 1.00 0.00 H new ATOM 0 HG2 LYS A 91 9.247 11.855 -4.778 1.00 0.00 H new ATOM 0 HG3 LYS A 91 9.782 13.342 -5.535 1.00 0.00 H new ATOM 0 HD2 LYS A 91 7.421 13.265 -5.873 1.00 0.00 H new ATOM 0 HD3 LYS A 91 8.131 12.880 -7.428 1.00 0.00 H new ATOM 0 HE2 LYS A 91 7.114 10.770 -5.476 1.00 0.00 H new ATOM 0 HE3 LYS A 91 6.135 11.455 -6.757 1.00 0.00 H new ATOM 0 HZ1 LYS A 91 6.926 9.746 -7.921 1.00 0.00 H new ATOM 0 HZ2 LYS A 91 8.318 10.699 -8.112 1.00 0.00 H new ATOM 0 HZ3 LYS A 91 8.263 9.510 -6.901 1.00 0.00 H new ATOM 1422 N GLY A 92 12.014 13.356 -4.419 1.00 0.00 N ATOM 1423 CA GLY A 92 12.477 14.645 -3.913 1.00 0.00 C ATOM 1424 C GLY A 92 13.980 14.680 -3.670 1.00 0.00 C ATOM 1425 O GLY A 92 14.592 15.742 -3.726 1.00 0.00 O ATOM 0 H GLY A 92 11.411 12.851 -3.770 1.00 0.00 H new ATOM 0 HA2 GLY A 92 12.211 15.426 -4.625 1.00 0.00 H new ATOM 0 HA3 GLY A 92 11.958 14.872 -2.982 1.00 0.00 H new ATOM 1429 N ALA A 93 14.571 13.495 -3.432 1.00 0.00 N ATOM 1430 CA ALA A 93 16.014 13.324 -3.202 1.00 0.00 C ATOM 1431 C ALA A 93 16.768 13.230 -4.544 1.00 0.00 C ATOM 1432 O ALA A 93 17.879 13.764 -4.677 1.00 0.00 O ATOM 1433 CB ALA A 93 16.257 12.081 -2.337 1.00 0.00 C ATOM 0 H ALA A 93 14.051 12.618 -3.394 1.00 0.00 H new ATOM 0 HA ALA A 93 16.398 14.194 -2.669 1.00 0.00 H new ATOM 0 HB1 ALA A 93 17.327 11.958 -2.169 1.00 0.00 H new ATOM 0 HB2 ALA A 93 15.751 12.200 -1.379 1.00 0.00 H new ATOM 0 HB3 ALA A 93 15.866 11.201 -2.847 1.00 0.00 H new ATOM 1439 N LEU A 94 16.148 12.538 -5.529 1.00 0.00 N ATOM 1440 CA LEU A 94 16.677 12.424 -6.907 1.00 0.00 C ATOM 1441 C LEU A 94 16.764 13.813 -7.551 1.00 0.00 C ATOM 1442 O LEU A 94 17.690 14.103 -8.308 1.00 0.00 O ATOM 1443 CB LEU A 94 15.779 11.505 -7.790 1.00 0.00 C ATOM 1444 CG LEU A 94 15.546 10.043 -7.290 1.00 0.00 C ATOM 1445 CD1 LEU A 94 14.674 9.243 -8.282 1.00 0.00 C ATOM 1446 CD2 LEU A 94 16.878 9.322 -6.992 1.00 0.00 C ATOM 0 H LEU A 94 15.267 12.043 -5.390 1.00 0.00 H new ATOM 0 HA LEU A 94 17.670 11.979 -6.844 1.00 0.00 H new ATOM 0 HB2 LEU A 94 14.806 11.985 -7.897 1.00 0.00 H new ATOM 0 HB3 LEU A 94 16.221 11.456 -8.785 1.00 0.00 H new ATOM 0 HG LEU A 94 14.999 10.104 -6.349 1.00 0.00 H new ATOM 0 HD11 LEU A 94 14.530 8.230 -7.905 1.00 0.00 H new ATOM 0 HD12 LEU A 94 13.705 9.731 -8.390 1.00 0.00 H new ATOM 0 HD13 LEU A 94 15.170 9.203 -9.252 1.00 0.00 H new ATOM 0 HD21 LEU A 94 16.674 8.308 -6.647 1.00 0.00 H new ATOM 0 HD22 LEU A 94 17.481 9.282 -7.899 1.00 0.00 H new ATOM 0 HD23 LEU A 94 17.421 9.866 -6.219 1.00 0.00 H new ATOM 1458 N GLU A 95 15.766 14.655 -7.233 1.00 0.00 N ATOM 1459 CA GLU A 95 15.748 16.057 -7.641 1.00 0.00 C ATOM 1460 C GLU A 95 16.811 16.798 -6.805 1.00 0.00 C ATOM 1461 O GLU A 95 16.713 16.860 -5.571 1.00 0.00 O ATOM 1462 CB GLU A 95 14.325 16.675 -7.440 1.00 0.00 C ATOM 1463 CG GLU A 95 13.923 17.788 -8.445 1.00 0.00 C ATOM 1464 CD GLU A 95 14.875 18.999 -8.476 1.00 0.00 C ATOM 1465 OE1 GLU A 95 14.759 19.872 -7.598 1.00 0.00 O ATOM 1466 OE2 GLU A 95 15.749 19.075 -9.372 1.00 0.00 O ATOM 0 H GLU A 95 14.952 14.376 -6.685 1.00 0.00 H new ATOM 0 HA GLU A 95 15.980 16.151 -8.702 1.00 0.00 H new ATOM 0 HB2 GLU A 95 13.589 15.873 -7.502 1.00 0.00 H new ATOM 0 HB3 GLU A 95 14.267 17.084 -6.431 1.00 0.00 H new ATOM 0 HG2 GLU A 95 13.873 17.356 -9.444 1.00 0.00 H new ATOM 0 HG3 GLU A 95 12.920 18.137 -8.198 1.00 0.00 H new ATOM 1473 N HIS A 96 17.821 17.329 -7.489 1.00 0.00 N ATOM 1474 CA HIS A 96 18.960 18.000 -6.871 1.00 0.00 C ATOM 1475 C HIS A 96 19.418 19.131 -7.783 1.00 0.00 C ATOM 1476 O HIS A 96 19.969 18.880 -8.859 1.00 0.00 O ATOM 1477 CB HIS A 96 20.112 16.993 -6.624 1.00 0.00 C ATOM 1478 CG HIS A 96 21.396 17.614 -6.121 1.00 0.00 C ATOM 1479 ND1 HIS A 96 22.557 17.636 -6.858 1.00 0.00 N ATOM 1480 CD2 HIS A 96 21.683 18.253 -4.961 1.00 0.00 C ATOM 1481 CE1 HIS A 96 23.498 18.255 -6.179 1.00 0.00 C ATOM 1482 NE2 HIS A 96 22.994 18.641 -5.026 1.00 0.00 N ATOM 0 H HIS A 96 17.871 17.304 -8.507 1.00 0.00 H new ATOM 0 HA HIS A 96 18.665 18.411 -5.905 1.00 0.00 H new ATOM 0 HB2 HIS A 96 19.777 16.248 -5.902 1.00 0.00 H new ATOM 0 HB3 HIS A 96 20.320 16.464 -7.554 1.00 0.00 H new ATOM 0 HD2 HIS A 96 21.004 18.424 -4.139 1.00 0.00 H new ATOM 0 HE1 HIS A 96 24.512 18.419 -6.511 1.00 0.00 H new ATOM 0 HE2 HIS A 96 23.499 19.147 -4.299 1.00 0.00 H new ATOM 1491 N HIS A 97 19.150 20.370 -7.361 1.00 0.00 N ATOM 1492 CA HIS A 97 19.701 21.564 -8.015 1.00 0.00 C ATOM 1493 C HIS A 97 21.198 21.695 -7.669 1.00 0.00 C ATOM 1494 O HIS A 97 21.648 21.167 -6.639 1.00 0.00 O ATOM 1495 CB HIS A 97 18.930 22.842 -7.593 1.00 0.00 C ATOM 1496 CG HIS A 97 17.449 22.829 -7.912 1.00 0.00 C ATOM 1497 ND1 HIS A 97 16.476 23.206 -7.007 1.00 0.00 N ATOM 1498 CD2 HIS A 97 16.783 22.507 -9.050 1.00 0.00 C ATOM 1499 CE1 HIS A 97 15.287 23.116 -7.573 1.00 0.00 C ATOM 1500 NE2 HIS A 97 15.444 22.696 -8.811 1.00 0.00 N ATOM 0 H HIS A 97 18.550 20.575 -6.562 1.00 0.00 H new ATOM 0 HA HIS A 97 19.588 21.454 -9.094 1.00 0.00 H new ATOM 0 HB2 HIS A 97 19.054 22.986 -6.520 1.00 0.00 H new ATOM 0 HB3 HIS A 97 19.385 23.702 -8.084 1.00 0.00 H new ATOM 0 HD2 HIS A 97 17.225 22.165 -9.974 1.00 0.00 H new ATOM 0 HE1 HIS A 97 14.344 23.348 -7.100 1.00 0.00 H new ATOM 0 HE2 HIS A 97 14.693 22.537 -9.483 1.00 0.00 H new ATOM 1509 N HIS A 98 21.955 22.398 -8.533 1.00 0.00 N ATOM 1510 CA HIS A 98 23.413 22.588 -8.359 1.00 0.00 C ATOM 1511 C HIS A 98 23.707 23.350 -7.051 1.00 0.00 C ATOM 1512 O HIS A 98 24.624 22.993 -6.308 1.00 0.00 O ATOM 1513 CB HIS A 98 24.021 23.348 -9.569 1.00 0.00 C ATOM 1514 CG HIS A 98 23.884 22.625 -10.882 1.00 0.00 C ATOM 1515 ND1 HIS A 98 24.864 21.797 -11.389 1.00 0.00 N ATOM 1516 CD2 HIS A 98 22.877 22.606 -11.789 1.00 0.00 C ATOM 1517 CE1 HIS A 98 24.468 21.304 -12.544 1.00 0.00 C ATOM 1518 NE2 HIS A 98 23.269 21.779 -12.808 1.00 0.00 N ATOM 0 H HIS A 98 21.579 22.849 -9.367 1.00 0.00 H new ATOM 0 HA HIS A 98 23.877 21.603 -8.303 1.00 0.00 H new ATOM 0 HB2 HIS A 98 23.539 24.322 -9.651 1.00 0.00 H new ATOM 0 HB3 HIS A 98 25.078 23.530 -9.376 1.00 0.00 H new ATOM 0 HD2 HIS A 98 21.942 23.142 -11.721 1.00 0.00 H new ATOM 0 HE1 HIS A 98 25.031 20.626 -13.168 1.00 0.00 H new ATOM 0 HE2 HIS A 98 22.719 21.565 -13.640 1.00 0.00 H new ATOM 1527 N HIS A 99 22.886 24.381 -6.779 1.00 0.00 N ATOM 1528 CA HIS A 99 22.988 25.206 -5.565 1.00 0.00 C ATOM 1529 C HIS A 99 22.211 24.540 -4.417 1.00 0.00 C ATOM 1530 O HIS A 99 21.001 24.294 -4.543 1.00 0.00 O ATOM 1531 CB HIS A 99 22.432 26.632 -5.831 1.00 0.00 C ATOM 1532 CG HIS A 99 23.207 27.428 -6.846 1.00 0.00 C ATOM 1533 ND1 HIS A 99 23.932 28.555 -6.527 1.00 0.00 N ATOM 1534 CD2 HIS A 99 23.364 27.259 -8.182 1.00 0.00 C ATOM 1535 CE1 HIS A 99 24.489 29.041 -7.613 1.00 0.00 C ATOM 1536 NE2 HIS A 99 24.163 28.275 -8.634 1.00 0.00 N ATOM 0 H HIS A 99 22.129 24.665 -7.401 1.00 0.00 H new ATOM 0 HA HIS A 99 24.038 25.291 -5.284 1.00 0.00 H new ATOM 0 HB2 HIS A 99 21.399 26.548 -6.167 1.00 0.00 H new ATOM 0 HB3 HIS A 99 22.417 27.183 -4.891 1.00 0.00 H new ATOM 0 HD2 HIS A 99 22.937 26.468 -8.780 1.00 0.00 H new ATOM 0 HE1 HIS A 99 25.111 29.923 -7.661 1.00 0.00 H new ATOM 0 HE2 HIS A 99 24.457 28.415 -9.601 1.00 0.00 H new ATOM 1545 N HIS A 100 22.919 24.237 -3.311 1.00 0.00 N ATOM 1546 CA HIS A 100 22.306 23.683 -2.091 1.00 0.00 C ATOM 1547 C HIS A 100 21.563 24.807 -1.334 1.00 0.00 C ATOM 1548 O HIS A 100 22.187 25.649 -0.676 1.00 0.00 O ATOM 1549 CB HIS A 100 23.379 23.005 -1.183 1.00 0.00 C ATOM 1550 CG HIS A 100 22.832 22.415 0.097 1.00 0.00 C ATOM 1551 ND1 HIS A 100 23.509 22.462 1.293 1.00 0.00 N ATOM 1552 CD2 HIS A 100 21.671 21.762 0.355 1.00 0.00 C ATOM 1553 CE1 HIS A 100 22.791 21.875 2.227 1.00 0.00 C ATOM 1554 NE2 HIS A 100 21.672 21.442 1.683 1.00 0.00 N ATOM 0 H HIS A 100 23.928 24.369 -3.240 1.00 0.00 H new ATOM 0 HA HIS A 100 21.588 22.912 -2.372 1.00 0.00 H new ATOM 0 HB2 HIS A 100 23.872 22.216 -1.751 1.00 0.00 H new ATOM 0 HB3 HIS A 100 24.143 23.741 -0.932 1.00 0.00 H new ATOM 0 HD2 HIS A 100 20.891 21.537 -0.357 1.00 0.00 H new ATOM 0 HE1 HIS A 100 23.072 21.767 3.264 1.00 0.00 H new ATOM 0 HE2 HIS A 100 20.927 20.948 2.174 1.00 0.00 H new ATOM 1563 N HIS A 101 20.231 24.820 -1.480 1.00 0.00 N ATOM 1564 CA HIS A 101 19.344 25.794 -0.829 1.00 0.00 C ATOM 1565 C HIS A 101 18.895 25.222 0.541 1.00 0.00 C ATOM 1566 O HIS A 101 17.998 24.351 0.573 1.00 0.00 O ATOM 1567 CB HIS A 101 18.132 26.104 -1.762 1.00 0.00 C ATOM 1568 CG HIS A 101 17.264 27.267 -1.335 1.00 0.00 C ATOM 1569 ND1 HIS A 101 17.041 28.364 -2.138 1.00 0.00 N ATOM 1570 CD2 HIS A 101 16.555 27.492 -0.207 1.00 0.00 C ATOM 1571 CE1 HIS A 101 16.239 29.202 -1.526 1.00 0.00 C ATOM 1572 NE2 HIS A 101 15.928 28.700 -0.353 1.00 0.00 N ATOM 1573 OXT HIS A 101 19.442 25.635 1.583 1.00 0.00 O ATOM 0 H HIS A 101 19.733 24.146 -2.061 1.00 0.00 H new ATOM 0 HA HIS A 101 19.866 26.734 -0.651 1.00 0.00 H new ATOM 0 HB2 HIS A 101 18.509 26.304 -2.765 1.00 0.00 H new ATOM 0 HB3 HIS A 101 17.509 25.212 -1.827 1.00 0.00 H new ATOM 0 HD2 HIS A 101 16.494 26.839 0.651 1.00 0.00 H new ATOM 0 HE1 HIS A 101 15.893 30.146 -1.920 1.00 0.00 H new ATOM 0 HE2 HIS A 101 15.318 29.139 0.337 1.00 0.00 H new TER 1582 HIS A 101