USER MOD reduce.3.24.130724 H: found=0, std=0, add=525, rem=0, adj=21 USER MOD reduce.3.24.130724 removed 522 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 NoAdj-H: A 34 HIS HD1 : A 34 HIS ND1 : A 401 ZNZN :(H bumps) USER MOD NoAdj-H: A 71 HIS HD1 : A 71 HIS ND1 : A 201 ZNZN :(H bumps) USER MOD Set 1.1: A 14 ASN : amide:sc= -4.36 K(o=-5.2,f=-9!) USER MOD Set 1.2: A 72 ASN : amide:sc= -0.871 K(o=-5.2,f=-6!) USER MOD Single : A 1 GLY N :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 2 SER OG : rot 42:sc= 0.00196 USER MOD Single : A 3 SER OG : rot 180:sc= 0 USER MOD Single : A 5 SER OG : rot 180:sc= 0 USER MOD Single : A 6 SER OG : rot 180:sc= 0 USER MOD Single : A 8 MET CE :methyl 166:sc= -0.026 (180deg=-0.293) USER MOD Single : A 13 TYR OH : rot 180:sc= 0 USER MOD Single : A 19 GLN : amide:sc= -0.133 X(o=-0.13,f=-0.0064) USER MOD Single : A 25 THR OG1 : rot 180:sc= -0.684 USER MOD Single : A 26 ASN : amide:sc= -4.68 K(o=-4.7,f=-17!) USER MOD Single : A 27 SER OG : rot 180:sc= -0.0119 USER MOD Single : A 32 THR OG1 : rot 180:sc= 0 USER MOD Single : A 33 TYR OH : rot 180:sc= 0 USER MOD Single : A 41 HIS : no HE2:sc= -11.6! C(o=-12!,f=-23!) USER MOD Single : A 45 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 48 SER OG : rot -8:sc= 1.14 USER MOD Single : A 51 LYS NZ :NH3+ -142:sc= 0 (180deg=-0.0455) USER MOD Single : A 54 THR OG1 : rot 120:sc= -0.911 USER MOD Single : A 55 THR OG1 : rot 180:sc= 0 USER MOD Single : A 58 SER OG : rot 180:sc= 0 USER MOD Single : A 62 SER OG : rot 180:sc= 0 USER MOD Single : A 67 THR OG1 : rot -100:sc= -1.18 USER MOD Single : A 68 LYS NZ :NH3+ 165:sc= -0.21 (180deg=-0.631) USER MOD Single : A 73 SER OG : rot -23:sc= 0.865 USER MOD Single : A 75 LYS NZ :NH3+ -137:sc= 1.88 (180deg=-0.037) USER MOD ----------------------------------------------------------------- ATOM 1 N GLY A 1 -10.241 14.616 18.285 1.00 0.00 N ATOM 2 CA GLY A 1 -10.877 14.882 17.008 1.00 0.00 C ATOM 3 C GLY A 1 -9.896 15.378 15.964 1.00 0.00 C ATOM 4 O GLY A 1 -9.362 16.481 16.078 1.00 0.00 O ATOM 0 H1 GLY A 1 -10.953 14.280 18.964 1.00 0.00 H new ATOM 0 H2 GLY A 1 -9.508 13.888 18.163 1.00 0.00 H new ATOM 0 H3 GLY A 1 -9.805 15.489 18.644 1.00 0.00 H new ATOM 0 HA2 GLY A 1 -11.357 13.972 16.648 1.00 0.00 H new ATOM 0 HA3 GLY A 1 -11.663 15.624 17.145 1.00 0.00 H new ATOM 8 N SER A 2 -9.655 14.560 14.944 1.00 0.00 N ATOM 9 CA SER A 2 -8.726 14.919 13.879 1.00 0.00 C ATOM 10 C SER A 2 -8.998 14.098 12.622 1.00 0.00 C ATOM 11 O SER A 2 -8.967 12.868 12.651 1.00 0.00 O ATOM 12 CB SER A 2 -7.283 14.706 14.338 1.00 0.00 C ATOM 13 OG SER A 2 -7.157 13.507 15.084 1.00 0.00 O ATOM 0 H SER A 2 -10.090 13.644 14.833 1.00 0.00 H new ATOM 0 HA SER A 2 -8.872 15.973 13.643 1.00 0.00 H new ATOM 0 HB2 SER A 2 -6.624 14.669 13.471 1.00 0.00 H new ATOM 0 HB3 SER A 2 -6.963 15.552 14.946 1.00 0.00 H new ATOM 0 HG SER A 2 -7.681 12.798 14.655 1.00 0.00 H new ATOM 19 N SER A 3 -9.266 14.789 11.518 1.00 0.00 N ATOM 20 CA SER A 3 -9.547 14.126 10.251 1.00 0.00 C ATOM 21 C SER A 3 -9.071 14.974 9.076 1.00 0.00 C ATOM 22 O SER A 3 -8.658 16.120 9.250 1.00 0.00 O ATOM 23 CB SER A 3 -11.047 13.848 10.118 1.00 0.00 C ATOM 24 OG SER A 3 -11.786 15.055 10.070 1.00 0.00 O ATOM 0 H SER A 3 -9.294 15.808 11.476 1.00 0.00 H new ATOM 0 HA SER A 3 -9.006 13.180 10.237 1.00 0.00 H new ATOM 0 HB2 SER A 3 -11.234 13.267 9.215 1.00 0.00 H new ATOM 0 HB3 SER A 3 -11.384 13.244 10.961 1.00 0.00 H new ATOM 0 HG SER A 3 -12.741 14.851 9.983 1.00 0.00 H new ATOM 30 N GLY A 4 -9.131 14.402 7.877 1.00 0.00 N ATOM 31 CA GLY A 4 -8.703 15.118 6.690 1.00 0.00 C ATOM 32 C GLY A 4 -8.230 14.188 5.591 1.00 0.00 C ATOM 33 O GLY A 4 -7.893 13.033 5.848 1.00 0.00 O ATOM 0 H GLY A 4 -9.469 13.455 7.707 1.00 0.00 H new ATOM 0 HA2 GLY A 4 -9.529 15.725 6.318 1.00 0.00 H new ATOM 0 HA3 GLY A 4 -7.897 15.803 6.954 1.00 0.00 H new ATOM 37 N SER A 5 -8.204 14.692 4.361 1.00 0.00 N ATOM 38 CA SER A 5 -7.775 13.897 3.217 1.00 0.00 C ATOM 39 C SER A 5 -6.425 14.381 2.696 1.00 0.00 C ATOM 40 O SER A 5 -6.179 15.584 2.600 1.00 0.00 O ATOM 41 CB SER A 5 -8.818 13.963 2.101 1.00 0.00 C ATOM 42 OG SER A 5 -8.356 13.310 0.931 1.00 0.00 O ATOM 0 H SER A 5 -8.475 15.648 4.132 1.00 0.00 H new ATOM 0 HA SER A 5 -7.670 12.863 3.544 1.00 0.00 H new ATOM 0 HB2 SER A 5 -9.745 13.499 2.438 1.00 0.00 H new ATOM 0 HB3 SER A 5 -9.047 15.004 1.874 1.00 0.00 H new ATOM 0 HG SER A 5 -9.042 13.365 0.233 1.00 0.00 H new ATOM 48 N SER A 6 -5.554 13.436 2.360 1.00 0.00 N ATOM 49 CA SER A 6 -4.227 13.765 1.852 1.00 0.00 C ATOM 50 C SER A 6 -4.112 13.420 0.370 1.00 0.00 C ATOM 51 O SER A 6 -4.668 12.425 -0.092 1.00 0.00 O ATOM 52 CB SER A 6 -3.154 13.017 2.645 1.00 0.00 C ATOM 53 OG SER A 6 -3.226 11.621 2.412 1.00 0.00 O ATOM 0 H SER A 6 -5.743 12.436 2.430 1.00 0.00 H new ATOM 0 HA SER A 6 -4.075 14.838 1.971 1.00 0.00 H new ATOM 0 HB2 SER A 6 -2.167 13.385 2.364 1.00 0.00 H new ATOM 0 HB3 SER A 6 -3.278 13.218 3.709 1.00 0.00 H new ATOM 0 HG SER A 6 -2.529 11.167 2.929 1.00 0.00 H new ATOM 59 N GLY A 7 -3.384 14.251 -0.370 1.00 0.00 N ATOM 60 CA GLY A 7 -3.209 14.018 -1.792 1.00 0.00 C ATOM 61 C GLY A 7 -1.751 14.034 -2.206 1.00 0.00 C ATOM 62 O GLY A 7 -1.436 14.143 -3.391 1.00 0.00 O ATOM 0 H GLY A 7 -2.913 15.081 -0.010 1.00 0.00 H new ATOM 0 HA2 GLY A 7 -3.648 13.056 -2.056 1.00 0.00 H new ATOM 0 HA3 GLY A 7 -3.751 14.780 -2.352 1.00 0.00 H new ATOM 66 N MET A 8 -0.858 13.926 -1.228 1.00 0.00 N ATOM 67 CA MET A 8 0.575 13.929 -1.498 1.00 0.00 C ATOM 68 C MET A 8 1.165 12.533 -1.322 1.00 0.00 C ATOM 69 O MET A 8 2.379 12.349 -1.388 1.00 0.00 O ATOM 70 CB MET A 8 1.288 14.916 -0.572 1.00 0.00 C ATOM 71 CG MET A 8 0.734 14.932 0.843 1.00 0.00 C ATOM 72 SD MET A 8 1.689 15.983 1.953 1.00 0.00 S ATOM 73 CE MET A 8 1.369 17.598 1.250 1.00 0.00 C ATOM 0 H MET A 8 -1.101 13.835 -0.242 1.00 0.00 H new ATOM 0 HA MET A 8 0.723 14.239 -2.532 1.00 0.00 H new ATOM 0 HB2 MET A 8 2.348 14.666 -0.535 1.00 0.00 H new ATOM 0 HB3 MET A 8 1.211 15.918 -0.995 1.00 0.00 H new ATOM 0 HG2 MET A 8 -0.299 15.279 0.820 1.00 0.00 H new ATOM 0 HG3 MET A 8 0.720 13.915 1.235 1.00 0.00 H new ATOM 0 HE1 MET A 8 1.678 18.370 1.955 1.00 0.00 H new ATOM 0 HE2 MET A 8 1.930 17.709 0.322 1.00 0.00 H new ATOM 0 HE3 MET A 8 0.304 17.700 1.044 1.00 0.00 H new ATOM 83 N ALA A 9 0.296 11.553 -1.099 1.00 0.00 N ATOM 84 CA ALA A 9 0.731 10.174 -0.915 1.00 0.00 C ATOM 85 C ALA A 9 1.089 9.529 -2.250 1.00 0.00 C ATOM 86 O ALA A 9 0.210 9.113 -3.006 1.00 0.00 O ATOM 87 CB ALA A 9 -0.352 9.368 -0.211 1.00 0.00 C ATOM 0 H ALA A 9 -0.713 11.688 -1.041 1.00 0.00 H new ATOM 0 HA ALA A 9 1.626 10.181 -0.293 1.00 0.00 H new ATOM 0 HB1 ALA A 9 -0.014 8.340 -0.080 1.00 0.00 H new ATOM 0 HB2 ALA A 9 -0.558 9.809 0.764 1.00 0.00 H new ATOM 0 HB3 ALA A 9 -1.261 9.377 -0.812 1.00 0.00 H new ATOM 93 N LEU A 10 2.384 9.449 -2.534 1.00 0.00 N ATOM 94 CA LEU A 10 2.858 8.855 -3.779 1.00 0.00 C ATOM 95 C LEU A 10 2.918 7.335 -3.669 1.00 0.00 C ATOM 96 O LEU A 10 3.306 6.791 -2.633 1.00 0.00 O ATOM 97 CB LEU A 10 4.240 9.406 -4.136 1.00 0.00 C ATOM 98 CG LEU A 10 4.422 10.917 -3.978 1.00 0.00 C ATOM 99 CD1 LEU A 10 5.775 11.351 -4.517 1.00 0.00 C ATOM 100 CD2 LEU A 10 3.299 11.665 -4.683 1.00 0.00 C ATOM 0 H LEU A 10 3.124 9.788 -1.919 1.00 0.00 H new ATOM 0 HA LEU A 10 2.154 9.116 -4.569 1.00 0.00 H new ATOM 0 HB2 LEU A 10 4.981 8.904 -3.514 1.00 0.00 H new ATOM 0 HB3 LEU A 10 4.459 9.140 -5.170 1.00 0.00 H new ATOM 0 HG LEU A 10 4.383 11.160 -2.916 1.00 0.00 H new ATOM 0 HD11 LEU A 10 5.886 12.429 -4.396 1.00 0.00 H new ATOM 0 HD12 LEU A 10 6.566 10.841 -3.968 1.00 0.00 H new ATOM 0 HD13 LEU A 10 5.844 11.096 -5.574 1.00 0.00 H new ATOM 0 HD21 LEU A 10 3.444 12.738 -4.561 1.00 0.00 H new ATOM 0 HD22 LEU A 10 3.306 11.416 -5.744 1.00 0.00 H new ATOM 0 HD23 LEU A 10 2.341 11.376 -4.250 1.00 0.00 H new ATOM 112 N LEU A 11 2.535 6.653 -4.743 1.00 0.00 N ATOM 113 CA LEU A 11 2.547 5.195 -4.768 1.00 0.00 C ATOM 114 C LEU A 11 3.955 4.666 -5.022 1.00 0.00 C ATOM 115 O LEU A 11 4.602 5.038 -6.001 1.00 0.00 O ATOM 116 CB LEU A 11 1.593 4.676 -5.845 1.00 0.00 C ATOM 117 CG LEU A 11 1.617 3.167 -6.094 1.00 0.00 C ATOM 118 CD1 LEU A 11 1.787 2.414 -4.784 1.00 0.00 C ATOM 119 CD2 LEU A 11 0.349 2.724 -6.805 1.00 0.00 C ATOM 0 H LEU A 11 2.212 7.087 -5.608 1.00 0.00 H new ATOM 0 HA LEU A 11 2.215 4.837 -3.794 1.00 0.00 H new ATOM 0 HB2 LEU A 11 0.578 4.962 -5.571 1.00 0.00 H new ATOM 0 HB3 LEU A 11 1.825 5.182 -6.782 1.00 0.00 H new ATOM 0 HG LEU A 11 2.468 2.937 -6.735 1.00 0.00 H new ATOM 0 HD11 LEU A 11 1.802 1.342 -4.980 1.00 0.00 H new ATOM 0 HD12 LEU A 11 2.724 2.710 -4.313 1.00 0.00 H new ATOM 0 HD13 LEU A 11 0.957 2.650 -4.118 1.00 0.00 H new ATOM 0 HD21 LEU A 11 0.384 1.648 -6.974 1.00 0.00 H new ATOM 0 HD22 LEU A 11 -0.517 2.967 -6.189 1.00 0.00 H new ATOM 0 HD23 LEU A 11 0.270 3.239 -7.762 1.00 0.00 H new ATOM 131 N CYS A 12 4.424 3.795 -4.134 1.00 0.00 N ATOM 132 CA CYS A 12 5.753 3.213 -4.262 1.00 0.00 C ATOM 133 C CYS A 12 5.750 2.064 -5.266 1.00 0.00 C ATOM 134 O CYS A 12 4.875 1.198 -5.232 1.00 0.00 O ATOM 135 CB CYS A 12 6.248 2.715 -2.902 1.00 0.00 C ATOM 136 SG CYS A 12 8.033 2.354 -2.847 1.00 0.00 S ATOM 0 H CYS A 12 3.902 3.477 -3.318 1.00 0.00 H new ATOM 0 HA CYS A 12 6.428 3.988 -4.626 1.00 0.00 H new ATOM 0 HB2 CYS A 12 6.016 3.465 -2.146 1.00 0.00 H new ATOM 0 HB3 CYS A 12 5.697 1.813 -2.635 1.00 0.00 H new ATOM 141 N TYR A 13 6.735 2.062 -6.158 1.00 0.00 N ATOM 142 CA TYR A 13 6.845 1.021 -7.173 1.00 0.00 C ATOM 143 C TYR A 13 8.087 0.164 -6.942 1.00 0.00 C ATOM 144 O TYR A 13 8.693 -0.336 -7.888 1.00 0.00 O ATOM 145 CB TYR A 13 6.894 1.644 -8.569 1.00 0.00 C ATOM 146 CG TYR A 13 5.628 2.376 -8.950 1.00 0.00 C ATOM 147 CD1 TYR A 13 4.544 1.695 -9.492 1.00 0.00 C ATOM 148 CD2 TYR A 13 5.514 3.749 -8.768 1.00 0.00 C ATOM 149 CE1 TYR A 13 3.386 2.360 -9.843 1.00 0.00 C ATOM 150 CE2 TYR A 13 4.358 4.422 -9.114 1.00 0.00 C ATOM 151 CZ TYR A 13 3.297 3.724 -9.652 1.00 0.00 C ATOM 152 OH TYR A 13 2.144 4.389 -9.999 1.00 0.00 O ATOM 0 H TYR A 13 7.468 2.770 -6.199 1.00 0.00 H new ATOM 0 HA TYR A 13 5.965 0.382 -7.098 1.00 0.00 H new ATOM 0 HB2 TYR A 13 7.734 2.337 -8.619 1.00 0.00 H new ATOM 0 HB3 TYR A 13 7.084 0.859 -9.301 1.00 0.00 H new ATOM 0 HD1 TYR A 13 4.609 0.627 -9.641 1.00 0.00 H new ATOM 0 HD2 TYR A 13 6.343 4.299 -8.349 1.00 0.00 H new ATOM 0 HE1 TYR A 13 2.554 1.816 -10.265 1.00 0.00 H new ATOM 0 HE2 TYR A 13 4.286 5.489 -8.964 1.00 0.00 H new ATOM 0 HH TYR A 13 2.244 5.343 -9.800 1.00 0.00 H new ATOM 162 N ASN A 14 8.455 -0.002 -5.676 1.00 0.00 N ATOM 163 CA ASN A 14 9.623 -0.798 -5.319 1.00 0.00 C ATOM 164 C ASN A 14 9.212 -2.201 -4.882 1.00 0.00 C ATOM 165 O ASN A 14 8.427 -2.366 -3.948 1.00 0.00 O ATOM 166 CB ASN A 14 10.411 -0.114 -4.200 1.00 0.00 C ATOM 167 CG ASN A 14 10.983 1.224 -4.629 1.00 0.00 C ATOM 168 OD1 ASN A 14 11.476 1.370 -5.748 1.00 0.00 O ATOM 169 ND2 ASN A 14 10.917 2.208 -3.740 1.00 0.00 N ATOM 0 H ASN A 14 7.962 0.404 -4.881 1.00 0.00 H new ATOM 0 HA ASN A 14 10.257 -0.882 -6.201 1.00 0.00 H new ATOM 0 HB2 ASN A 14 9.760 0.032 -3.338 1.00 0.00 H new ATOM 0 HB3 ASN A 14 11.223 -0.767 -3.880 1.00 0.00 H new ATOM 0 HD21 ASN A 14 11.284 3.131 -3.973 1.00 0.00 H new ATOM 0 HD22 ASN A 14 10.500 2.041 -2.824 1.00 0.00 H new ATOM 176 N ARG A 15 9.750 -3.208 -5.563 1.00 0.00 N ATOM 177 CA ARG A 15 9.438 -4.597 -5.246 1.00 0.00 C ATOM 178 C ARG A 15 9.450 -4.826 -3.738 1.00 0.00 C ATOM 179 O ARG A 15 10.413 -4.484 -3.055 1.00 0.00 O ATOM 180 CB ARG A 15 10.441 -5.534 -5.923 1.00 0.00 C ATOM 181 CG ARG A 15 10.507 -5.367 -7.432 1.00 0.00 C ATOM 182 CD ARG A 15 11.811 -5.911 -7.995 1.00 0.00 C ATOM 183 NE ARG A 15 12.849 -4.886 -8.061 1.00 0.00 N ATOM 184 CZ ARG A 15 12.976 -4.032 -9.071 1.00 0.00 C ATOM 185 NH1 ARG A 15 12.133 -4.081 -10.094 1.00 0.00 N ATOM 186 NH2 ARG A 15 13.945 -3.127 -9.059 1.00 0.00 N ATOM 0 H ARG A 15 10.403 -3.088 -6.337 1.00 0.00 H new ATOM 0 HA ARG A 15 8.438 -4.814 -5.621 1.00 0.00 H new ATOM 0 HB2 ARG A 15 11.431 -5.358 -5.503 1.00 0.00 H new ATOM 0 HB3 ARG A 15 10.175 -6.565 -5.691 1.00 0.00 H new ATOM 0 HG2 ARG A 15 9.666 -5.884 -7.894 1.00 0.00 H new ATOM 0 HG3 ARG A 15 10.411 -4.312 -7.687 1.00 0.00 H new ATOM 0 HD2 ARG A 15 12.157 -6.738 -7.374 1.00 0.00 H new ATOM 0 HD3 ARG A 15 11.635 -6.313 -8.993 1.00 0.00 H new ATOM 0 HE ARG A 15 13.513 -4.822 -7.289 1.00 0.00 H new ATOM 0 HH11 ARG A 15 11.386 -4.775 -10.106 1.00 0.00 H new ATOM 0 HH12 ARG A 15 12.232 -3.425 -10.868 1.00 0.00 H new ATOM 0 HH21 ARG A 15 14.594 -3.086 -8.274 1.00 0.00 H new ATOM 0 HH22 ARG A 15 14.041 -2.472 -9.835 1.00 0.00 H new ATOM 200 N GLY A 16 8.368 -5.406 -3.224 1.00 0.00 N ATOM 201 CA GLY A 16 8.274 -5.670 -1.800 1.00 0.00 C ATOM 202 C GLY A 16 7.488 -4.604 -1.064 1.00 0.00 C ATOM 203 O GLY A 16 7.011 -4.831 0.048 1.00 0.00 O ATOM 0 H GLY A 16 7.556 -5.697 -3.768 1.00 0.00 H new ATOM 0 HA2 GLY A 16 7.800 -6.639 -1.644 1.00 0.00 H new ATOM 0 HA3 GLY A 16 9.277 -5.734 -1.378 1.00 0.00 H new ATOM 207 N CYS A 17 7.352 -3.437 -1.684 1.00 0.00 N ATOM 208 CA CYS A 17 6.620 -2.330 -1.081 1.00 0.00 C ATOM 209 C CYS A 17 5.247 -2.168 -1.728 1.00 0.00 C ATOM 210 O CYS A 17 4.222 -2.462 -1.115 1.00 0.00 O ATOM 211 CB CYS A 17 7.417 -1.031 -1.216 1.00 0.00 C ATOM 212 SG CYS A 17 7.132 0.159 0.134 1.00 0.00 S ATOM 0 H CYS A 17 7.740 -3.233 -2.605 1.00 0.00 H new ATOM 0 HA CYS A 17 6.479 -2.554 -0.024 1.00 0.00 H new ATOM 0 HB2 CYS A 17 8.479 -1.271 -1.256 1.00 0.00 H new ATOM 0 HB3 CYS A 17 7.162 -0.557 -2.164 1.00 0.00 H new ATOM 217 N GLY A 18 5.238 -1.699 -2.972 1.00 0.00 N ATOM 218 CA GLY A 18 3.988 -1.506 -3.682 1.00 0.00 C ATOM 219 C GLY A 18 2.960 -0.759 -2.855 1.00 0.00 C ATOM 220 O GLY A 18 1.767 -0.795 -3.156 1.00 0.00 O ATOM 0 H GLY A 18 6.074 -1.449 -3.500 1.00 0.00 H new ATOM 0 HA2 GLY A 18 4.178 -0.955 -4.603 1.00 0.00 H new ATOM 0 HA3 GLY A 18 3.583 -2.477 -3.969 1.00 0.00 H new ATOM 224 N GLN A 19 3.424 -0.081 -1.811 1.00 0.00 N ATOM 225 CA GLN A 19 2.535 0.676 -0.937 1.00 0.00 C ATOM 226 C GLN A 19 2.760 2.176 -1.099 1.00 0.00 C ATOM 227 O GLN A 19 3.797 2.607 -1.605 1.00 0.00 O ATOM 228 CB GLN A 19 2.753 0.271 0.522 1.00 0.00 C ATOM 229 CG GLN A 19 2.288 -1.141 0.837 1.00 0.00 C ATOM 230 CD GLN A 19 1.809 -1.293 2.268 1.00 0.00 C ATOM 231 OE1 GLN A 19 2.337 -2.105 3.028 1.00 0.00 O ATOM 232 NE2 GLN A 19 0.804 -0.509 2.642 1.00 0.00 N ATOM 0 H GLN A 19 4.409 -0.040 -1.549 1.00 0.00 H new ATOM 0 HA GLN A 19 1.508 0.448 -1.221 1.00 0.00 H new ATOM 0 HB2 GLN A 19 3.813 0.357 0.760 1.00 0.00 H new ATOM 0 HB3 GLN A 19 2.224 0.972 1.168 1.00 0.00 H new ATOM 0 HG2 GLN A 19 1.481 -1.414 0.157 1.00 0.00 H new ATOM 0 HG3 GLN A 19 3.106 -1.838 0.656 1.00 0.00 H new ATOM 0 HE21 GLN A 19 0.397 0.150 1.978 1.00 0.00 H new ATOM 0 HE22 GLN A 19 0.440 -0.566 3.593 1.00 0.00 H new ATOM 241 N ARG A 20 1.783 2.966 -0.667 1.00 0.00 N ATOM 242 CA ARG A 20 1.875 4.418 -0.766 1.00 0.00 C ATOM 243 C ARG A 20 2.908 4.966 0.214 1.00 0.00 C ATOM 244 O ARG A 20 3.481 4.221 1.009 1.00 0.00 O ATOM 245 CB ARG A 20 0.510 5.056 -0.495 1.00 0.00 C ATOM 246 CG ARG A 20 -0.511 4.797 -1.591 1.00 0.00 C ATOM 247 CD ARG A 20 -0.429 5.848 -2.687 1.00 0.00 C ATOM 248 NE ARG A 20 -1.710 6.034 -3.363 1.00 0.00 N ATOM 249 CZ ARG A 20 -1.869 6.790 -4.444 1.00 0.00 C ATOM 250 NH1 ARG A 20 -0.831 7.426 -4.969 1.00 0.00 N ATOM 251 NH2 ARG A 20 -3.065 6.910 -5.003 1.00 0.00 N ATOM 0 H ARG A 20 0.919 2.626 -0.245 1.00 0.00 H new ATOM 0 HA ARG A 20 2.192 4.669 -1.778 1.00 0.00 H new ATOM 0 HB2 ARG A 20 0.121 4.675 0.449 1.00 0.00 H new ATOM 0 HB3 ARG A 20 0.638 6.132 -0.376 1.00 0.00 H new ATOM 0 HG2 ARG A 20 -0.344 3.809 -2.020 1.00 0.00 H new ATOM 0 HG3 ARG A 20 -1.513 4.793 -1.163 1.00 0.00 H new ATOM 0 HD2 ARG A 20 -0.105 6.796 -2.257 1.00 0.00 H new ATOM 0 HD3 ARG A 20 0.326 5.554 -3.416 1.00 0.00 H new ATOM 0 HE ARG A 20 -2.528 5.557 -2.984 1.00 0.00 H new ATOM 0 HH11 ARG A 20 0.091 7.335 -4.543 1.00 0.00 H new ATOM 0 HH12 ARG A 20 -0.955 8.006 -5.799 1.00 0.00 H new ATOM 0 HH21 ARG A 20 -3.866 6.421 -4.603 1.00 0.00 H new ATOM 0 HH22 ARG A 20 -3.184 7.491 -5.833 1.00 0.00 H new ATOM 265 N PHE A 21 3.141 6.273 0.151 1.00 0.00 N ATOM 266 CA PHE A 21 4.106 6.921 1.031 1.00 0.00 C ATOM 267 C PHE A 21 4.051 8.438 0.876 1.00 0.00 C ATOM 268 O PHE A 21 3.464 8.954 -0.075 1.00 0.00 O ATOM 269 CB PHE A 21 5.519 6.416 0.733 1.00 0.00 C ATOM 270 CG PHE A 21 6.085 6.947 -0.553 1.00 0.00 C ATOM 271 CD1 PHE A 21 5.833 6.303 -1.754 1.00 0.00 C ATOM 272 CD2 PHE A 21 6.870 8.089 -0.561 1.00 0.00 C ATOM 273 CE1 PHE A 21 6.354 6.788 -2.938 1.00 0.00 C ATOM 274 CE2 PHE A 21 7.392 8.580 -1.743 1.00 0.00 C ATOM 275 CZ PHE A 21 7.134 7.929 -2.933 1.00 0.00 C ATOM 0 H PHE A 21 2.674 6.904 -0.501 1.00 0.00 H new ATOM 0 HA PHE A 21 3.848 6.670 2.060 1.00 0.00 H new ATOM 0 HB2 PHE A 21 6.178 6.697 1.555 1.00 0.00 H new ATOM 0 HB3 PHE A 21 5.506 5.327 0.693 1.00 0.00 H new ATOM 0 HD1 PHE A 21 5.223 5.412 -1.764 1.00 0.00 H new ATOM 0 HD2 PHE A 21 7.076 8.601 0.367 1.00 0.00 H new ATOM 0 HE1 PHE A 21 6.152 6.276 -3.867 1.00 0.00 H new ATOM 0 HE2 PHE A 21 8.001 9.472 -1.736 1.00 0.00 H new ATOM 0 HZ PHE A 21 7.541 8.311 -3.858 1.00 0.00 H new ATOM 285 N ASP A 22 4.667 9.145 1.816 1.00 0.00 N ATOM 286 CA ASP A 22 4.691 10.603 1.784 1.00 0.00 C ATOM 287 C ASP A 22 6.082 11.117 1.431 1.00 0.00 C ATOM 288 O ASP A 22 7.082 10.745 2.046 1.00 0.00 O ATOM 289 CB ASP A 22 4.250 11.171 3.134 1.00 0.00 C ATOM 290 CG ASP A 22 3.104 10.389 3.746 1.00 0.00 C ATOM 291 OD1 ASP A 22 3.375 9.410 4.472 1.00 0.00 O ATOM 292 OD2 ASP A 22 1.938 10.758 3.499 1.00 0.00 O ATOM 0 H ASP A 22 5.157 8.733 2.610 1.00 0.00 H new ATOM 0 HA ASP A 22 3.995 10.936 1.014 1.00 0.00 H new ATOM 0 HB2 ASP A 22 5.097 11.166 3.821 1.00 0.00 H new ATOM 0 HB3 ASP A 22 3.949 12.211 3.006 1.00 0.00 H new ATOM 297 N PRO A 23 6.151 11.992 0.417 1.00 0.00 N ATOM 298 CA PRO A 23 7.415 12.575 -0.042 1.00 0.00 C ATOM 299 C PRO A 23 8.003 13.553 0.970 1.00 0.00 C ATOM 300 O PRO A 23 9.203 13.530 1.243 1.00 0.00 O ATOM 301 CB PRO A 23 7.023 13.308 -1.327 1.00 0.00 C ATOM 302 CG PRO A 23 5.575 13.615 -1.161 1.00 0.00 C ATOM 303 CD PRO A 23 5.000 12.479 -0.361 1.00 0.00 C ATOM 0 HA PRO A 23 8.185 11.817 -0.186 1.00 0.00 H new ATOM 0 HB2 PRO A 23 7.608 14.218 -1.458 1.00 0.00 H new ATOM 0 HB3 PRO A 23 7.198 12.687 -2.206 1.00 0.00 H new ATOM 0 HG2 PRO A 23 5.434 14.565 -0.646 1.00 0.00 H new ATOM 0 HG3 PRO A 23 5.081 13.700 -2.129 1.00 0.00 H new ATOM 0 HD2 PRO A 23 4.190 12.814 0.287 1.00 0.00 H new ATOM 0 HD3 PRO A 23 4.592 11.700 -1.005 1.00 0.00 H new ATOM 311 N GLU A 24 7.150 14.409 1.524 1.00 0.00 N ATOM 312 CA GLU A 24 7.587 15.395 2.505 1.00 0.00 C ATOM 313 C GLU A 24 8.136 14.712 3.755 1.00 0.00 C ATOM 314 O GLU A 24 8.764 15.350 4.600 1.00 0.00 O ATOM 315 CB GLU A 24 6.429 16.319 2.884 1.00 0.00 C ATOM 316 CG GLU A 24 5.075 15.626 2.892 1.00 0.00 C ATOM 317 CD GLU A 24 4.092 16.278 3.845 1.00 0.00 C ATOM 318 OE1 GLU A 24 3.698 17.435 3.592 1.00 0.00 O ATOM 319 OE2 GLU A 24 3.717 15.629 4.845 1.00 0.00 O ATOM 0 H GLU A 24 6.153 14.439 1.310 1.00 0.00 H new ATOM 0 HA GLU A 24 8.383 15.988 2.055 1.00 0.00 H new ATOM 0 HB2 GLU A 24 6.619 16.739 3.872 1.00 0.00 H new ATOM 0 HB3 GLU A 24 6.397 17.153 2.183 1.00 0.00 H new ATOM 0 HG2 GLU A 24 4.660 15.636 1.884 1.00 0.00 H new ATOM 0 HG3 GLU A 24 5.208 14.581 3.171 1.00 0.00 H new ATOM 326 N THR A 25 7.894 13.409 3.865 1.00 0.00 N ATOM 327 CA THR A 25 8.363 12.639 5.010 1.00 0.00 C ATOM 328 C THR A 25 9.285 11.507 4.572 1.00 0.00 C ATOM 329 O THR A 25 10.073 10.994 5.365 1.00 0.00 O ATOM 330 CB THR A 25 7.186 12.048 5.808 1.00 0.00 C ATOM 331 OG1 THR A 25 6.823 10.770 5.273 1.00 0.00 O ATOM 332 CG2 THR A 25 5.983 12.979 5.769 1.00 0.00 C ATOM 0 H THR A 25 7.376 12.865 3.175 1.00 0.00 H new ATOM 0 HA THR A 25 8.917 13.327 5.648 1.00 0.00 H new ATOM 0 HB THR A 25 7.502 11.931 6.845 1.00 0.00 H new ATOM 0 HG1 THR A 25 6.075 10.401 5.787 1.00 0.00 H new ATOM 0 HG21 THR A 25 5.165 12.540 6.339 1.00 0.00 H new ATOM 0 HG22 THR A 25 6.253 13.941 6.204 1.00 0.00 H new ATOM 0 HG23 THR A 25 5.668 13.124 4.736 1.00 0.00 H new ATOM 340 N ASN A 26 9.181 11.123 3.304 1.00 0.00 N ATOM 341 CA ASN A 26 10.007 10.051 2.760 1.00 0.00 C ATOM 342 C ASN A 26 11.465 10.222 3.177 1.00 0.00 C ATOM 343 O ASN A 26 12.003 11.329 3.147 1.00 0.00 O ATOM 344 CB ASN A 26 9.900 10.021 1.234 1.00 0.00 C ATOM 345 CG ASN A 26 10.640 8.845 0.626 1.00 0.00 C ATOM 346 OD1 ASN A 26 11.399 8.155 1.307 1.00 0.00 O ATOM 347 ND2 ASN A 26 10.422 8.612 -0.663 1.00 0.00 N ATOM 0 H ASN A 26 8.533 11.538 2.634 1.00 0.00 H new ATOM 0 HA ASN A 26 9.642 9.105 3.161 1.00 0.00 H new ATOM 0 HB2 ASN A 26 8.850 9.974 0.947 1.00 0.00 H new ATOM 0 HB3 ASN A 26 10.300 10.949 0.826 1.00 0.00 H new ATOM 0 HD21 ASN A 26 10.892 7.835 -1.127 1.00 0.00 H new ATOM 0 HD22 ASN A 26 9.784 9.210 -1.189 1.00 0.00 H new ATOM 354 N SER A 27 12.097 9.119 3.564 1.00 0.00 N ATOM 355 CA SER A 27 13.491 9.147 3.990 1.00 0.00 C ATOM 356 C SER A 27 14.237 7.915 3.488 1.00 0.00 C ATOM 357 O SER A 27 13.625 6.932 3.071 1.00 0.00 O ATOM 358 CB SER A 27 13.580 9.225 5.515 1.00 0.00 C ATOM 359 OG SER A 27 12.622 10.131 6.036 1.00 0.00 O ATOM 0 H SER A 27 11.666 8.195 3.591 1.00 0.00 H new ATOM 0 HA SER A 27 13.958 10.033 3.561 1.00 0.00 H new ATOM 0 HB2 SER A 27 13.420 8.235 5.943 1.00 0.00 H new ATOM 0 HB3 SER A 27 14.581 9.541 5.808 1.00 0.00 H new ATOM 0 HG SER A 27 12.698 10.162 7.013 1.00 0.00 H new ATOM 365 N ASP A 28 15.563 7.975 3.533 1.00 0.00 N ATOM 366 CA ASP A 28 16.396 6.865 3.084 1.00 0.00 C ATOM 367 C ASP A 28 16.157 5.626 3.943 1.00 0.00 C ATOM 368 O ASP A 28 16.660 4.544 3.642 1.00 0.00 O ATOM 369 CB ASP A 28 17.874 7.255 3.129 1.00 0.00 C ATOM 370 CG ASP A 28 18.525 6.905 4.452 1.00 0.00 C ATOM 371 OD1 ASP A 28 18.063 7.415 5.495 1.00 0.00 O ATOM 372 OD2 ASP A 28 19.497 6.120 4.446 1.00 0.00 O ATOM 0 H ASP A 28 16.085 8.781 3.876 1.00 0.00 H new ATOM 0 HA ASP A 28 16.123 6.631 2.055 1.00 0.00 H new ATOM 0 HB2 ASP A 28 18.405 6.750 2.322 1.00 0.00 H new ATOM 0 HB3 ASP A 28 17.970 8.326 2.953 1.00 0.00 H new ATOM 377 N ASP A 29 15.389 5.794 5.014 1.00 0.00 N ATOM 378 CA ASP A 29 15.084 4.690 5.917 1.00 0.00 C ATOM 379 C ASP A 29 13.590 4.632 6.219 1.00 0.00 C ATOM 380 O ASP A 29 13.185 4.345 7.345 1.00 0.00 O ATOM 381 CB ASP A 29 15.875 4.834 7.218 1.00 0.00 C ATOM 382 CG ASP A 29 15.476 6.066 8.005 1.00 0.00 C ATOM 383 OD1 ASP A 29 14.771 6.930 7.440 1.00 0.00 O ATOM 384 OD2 ASP A 29 15.865 6.167 9.187 1.00 0.00 O ATOM 0 H ASP A 29 14.966 6.684 5.278 1.00 0.00 H new ATOM 0 HA ASP A 29 15.373 3.761 5.426 1.00 0.00 H new ATOM 0 HB2 ASP A 29 15.721 3.948 7.833 1.00 0.00 H new ATOM 0 HB3 ASP A 29 16.940 4.882 6.989 1.00 0.00 H new ATOM 389 N ALA A 30 12.775 4.907 5.205 1.00 0.00 N ATOM 390 CA ALA A 30 11.326 4.884 5.363 1.00 0.00 C ATOM 391 C ALA A 30 10.684 3.905 4.387 1.00 0.00 C ATOM 392 O ALA A 30 9.521 3.528 4.545 1.00 0.00 O ATOM 393 CB ALA A 30 10.753 6.280 5.167 1.00 0.00 C ATOM 0 H ALA A 30 13.094 5.148 4.266 1.00 0.00 H new ATOM 0 HA ALA A 30 11.100 4.549 6.375 1.00 0.00 H new ATOM 0 HB1 ALA A 30 9.670 6.249 5.288 1.00 0.00 H new ATOM 0 HB2 ALA A 30 11.181 6.956 5.907 1.00 0.00 H new ATOM 0 HB3 ALA A 30 10.997 6.636 4.166 1.00 0.00 H new ATOM 399 N CYS A 31 11.445 3.495 3.378 1.00 0.00 N ATOM 400 CA CYS A 31 10.951 2.560 2.376 1.00 0.00 C ATOM 401 C CYS A 31 11.701 1.234 2.450 1.00 0.00 C ATOM 402 O CYS A 31 12.931 1.199 2.385 1.00 0.00 O ATOM 403 CB CYS A 31 11.090 3.160 0.975 1.00 0.00 C ATOM 404 SG CYS A 31 10.581 2.039 -0.368 1.00 0.00 S ATOM 0 H CYS A 31 12.408 3.797 3.233 1.00 0.00 H new ATOM 0 HA CYS A 31 9.897 2.372 2.581 1.00 0.00 H new ATOM 0 HB2 CYS A 31 10.493 4.070 0.920 1.00 0.00 H new ATOM 0 HB3 CYS A 31 12.129 3.451 0.817 1.00 0.00 H new ATOM 409 N THR A 32 10.955 0.143 2.588 1.00 0.00 N ATOM 410 CA THR A 32 11.549 -1.185 2.672 1.00 0.00 C ATOM 411 C THR A 32 11.174 -2.033 1.462 1.00 0.00 C ATOM 412 O THR A 32 10.073 -2.581 1.393 1.00 0.00 O ATOM 413 CB THR A 32 11.108 -1.917 3.954 1.00 0.00 C ATOM 414 OG1 THR A 32 10.892 -0.972 5.008 1.00 0.00 O ATOM 415 CG2 THR A 32 12.156 -2.932 4.384 1.00 0.00 C ATOM 0 H THR A 32 9.937 0.153 2.644 1.00 0.00 H new ATOM 0 HA THR A 32 12.630 -1.047 2.694 1.00 0.00 H new ATOM 0 HB THR A 32 10.178 -2.445 3.743 1.00 0.00 H new ATOM 0 HG1 THR A 32 10.610 -1.445 5.819 1.00 0.00 H new ATOM 0 HG21 THR A 32 11.823 -3.437 5.291 1.00 0.00 H new ATOM 0 HG22 THR A 32 12.298 -3.667 3.591 1.00 0.00 H new ATOM 0 HG23 THR A 32 13.099 -2.421 4.578 1.00 0.00 H new ATOM 423 N TYR A 33 12.094 -2.137 0.511 1.00 0.00 N ATOM 424 CA TYR A 33 11.859 -2.918 -0.698 1.00 0.00 C ATOM 425 C TYR A 33 12.979 -3.930 -0.920 1.00 0.00 C ATOM 426 O TYR A 33 13.884 -4.065 -0.093 1.00 0.00 O ATOM 427 CB TYR A 33 11.743 -1.995 -1.912 1.00 0.00 C ATOM 428 CG TYR A 33 12.995 -1.191 -2.184 1.00 0.00 C ATOM 429 CD1 TYR A 33 13.285 -0.048 -1.449 1.00 0.00 C ATOM 430 CD2 TYR A 33 13.891 -1.576 -3.175 1.00 0.00 C ATOM 431 CE1 TYR A 33 14.427 0.689 -1.694 1.00 0.00 C ATOM 432 CE2 TYR A 33 15.035 -0.846 -3.426 1.00 0.00 C ATOM 433 CZ TYR A 33 15.299 0.286 -2.683 1.00 0.00 C ATOM 434 OH TYR A 33 16.438 1.017 -2.930 1.00 0.00 O ATOM 0 H TYR A 33 13.010 -1.690 0.553 1.00 0.00 H new ATOM 0 HA TYR A 33 10.923 -3.462 -0.572 1.00 0.00 H new ATOM 0 HB2 TYR A 33 11.508 -2.594 -2.792 1.00 0.00 H new ATOM 0 HB3 TYR A 33 10.908 -1.311 -1.759 1.00 0.00 H new ATOM 0 HD1 TYR A 33 12.605 0.270 -0.672 1.00 0.00 H new ATOM 0 HD2 TYR A 33 13.688 -2.462 -3.759 1.00 0.00 H new ATOM 0 HE1 TYR A 33 14.636 1.576 -1.114 1.00 0.00 H new ATOM 0 HE2 TYR A 33 15.720 -1.159 -4.200 1.00 0.00 H new ATOM 0 HH TYR A 33 16.945 0.598 -3.657 1.00 0.00 H new ATOM 444 N HIS A 34 12.914 -4.639 -2.042 1.00 0.00 N ATOM 445 CA HIS A 34 13.924 -5.639 -2.374 1.00 0.00 C ATOM 446 C HIS A 34 14.672 -5.252 -3.646 1.00 0.00 C ATOM 447 O HIS A 34 14.148 -5.341 -4.756 1.00 0.00 O ATOM 448 CB HIS A 34 13.274 -7.011 -2.549 1.00 0.00 C ATOM 449 CG HIS A 34 12.664 -7.551 -1.292 1.00 0.00 C ATOM 450 ND1 HIS A 34 13.414 -8.032 -0.239 1.00 0.00 N ATOM 451 CD2 HIS A 34 11.369 -7.682 -0.920 1.00 0.00 C ATOM 452 CE1 HIS A 34 12.606 -8.437 0.725 1.00 0.00 C ATOM 453 NE2 HIS A 34 11.361 -8.235 0.337 1.00 0.00 N ATOM 0 H HIS A 34 12.174 -4.540 -2.737 1.00 0.00 H new ATOM 0 HA HIS A 34 14.639 -5.686 -1.552 1.00 0.00 H new ATOM 0 HB2 HIS A 34 12.503 -6.943 -3.317 1.00 0.00 H new ATOM 0 HB3 HIS A 34 14.023 -7.715 -2.911 1.00 0.00 H new ATOM 0 HD2 HIS A 34 10.504 -7.404 -1.503 1.00 0.00 H new ATOM 0 HE1 HIS A 34 12.912 -8.861 1.670 1.00 0.00 H new ATOM 0 HE2 HIS A 34 10.527 -8.454 0.883 1.00 0.00 H new ATOM 461 N PRO A 35 15.928 -4.811 -3.482 1.00 0.00 N ATOM 462 CA PRO A 35 16.777 -4.401 -4.606 1.00 0.00 C ATOM 463 C PRO A 35 17.199 -5.582 -5.473 1.00 0.00 C ATOM 464 O PRO A 35 17.958 -5.422 -6.428 1.00 0.00 O ATOM 465 CB PRO A 35 17.995 -3.777 -3.921 1.00 0.00 C ATOM 466 CG PRO A 35 18.048 -4.421 -2.579 1.00 0.00 C ATOM 467 CD PRO A 35 16.618 -4.679 -2.188 1.00 0.00 C ATOM 0 HA PRO A 35 16.258 -3.722 -5.283 1.00 0.00 H new ATOM 0 HB2 PRO A 35 18.907 -3.966 -4.487 1.00 0.00 H new ATOM 0 HB3 PRO A 35 17.891 -2.695 -3.837 1.00 0.00 H new ATOM 0 HG2 PRO A 35 18.617 -5.350 -2.614 1.00 0.00 H new ATOM 0 HG3 PRO A 35 18.540 -3.773 -1.854 1.00 0.00 H new ATOM 0 HD2 PRO A 35 16.523 -5.584 -1.588 1.00 0.00 H new ATOM 0 HD3 PRO A 35 16.209 -3.860 -1.597 1.00 0.00 H new ATOM 475 N GLY A 36 16.703 -6.768 -5.134 1.00 0.00 N ATOM 476 CA GLY A 36 17.042 -7.958 -5.892 1.00 0.00 C ATOM 477 C GLY A 36 15.935 -8.373 -6.843 1.00 0.00 C ATOM 478 O GLY A 36 15.205 -7.530 -7.363 1.00 0.00 O ATOM 0 H GLY A 36 16.072 -6.926 -4.348 1.00 0.00 H new ATOM 0 HA2 GLY A 36 17.955 -7.776 -6.459 1.00 0.00 H new ATOM 0 HA3 GLY A 36 17.252 -8.777 -5.203 1.00 0.00 H new ATOM 482 N VAL A 37 15.812 -9.677 -7.072 1.00 0.00 N ATOM 483 CA VAL A 37 14.788 -10.203 -7.967 1.00 0.00 C ATOM 484 C VAL A 37 14.127 -11.443 -7.377 1.00 0.00 C ATOM 485 O VAL A 37 14.707 -12.154 -6.554 1.00 0.00 O ATOM 486 CB VAL A 37 15.375 -10.554 -9.347 1.00 0.00 C ATOM 487 CG1 VAL A 37 15.276 -9.363 -10.288 1.00 0.00 C ATOM 488 CG2 VAL A 37 16.817 -11.017 -9.209 1.00 0.00 C ATOM 0 H VAL A 37 16.409 -10.388 -6.650 1.00 0.00 H new ATOM 0 HA VAL A 37 14.040 -9.419 -8.088 1.00 0.00 H new ATOM 0 HB VAL A 37 14.794 -11.372 -9.773 1.00 0.00 H new ATOM 0 HG11 VAL A 37 15.696 -9.630 -11.258 1.00 0.00 H new ATOM 0 HG12 VAL A 37 14.230 -9.082 -10.410 1.00 0.00 H new ATOM 0 HG13 VAL A 37 15.831 -8.523 -9.871 1.00 0.00 H new ATOM 0 HG21 VAL A 37 17.217 -11.261 -10.193 1.00 0.00 H new ATOM 0 HG22 VAL A 37 17.413 -10.221 -8.762 1.00 0.00 H new ATOM 0 HG23 VAL A 37 16.856 -11.901 -8.572 1.00 0.00 H new ATOM 498 N PRO A 38 12.885 -11.713 -7.806 1.00 0.00 N ATOM 499 CA PRO A 38 12.118 -12.870 -7.334 1.00 0.00 C ATOM 500 C PRO A 38 12.688 -14.189 -7.845 1.00 0.00 C ATOM 501 O PRO A 38 12.774 -14.413 -9.052 1.00 0.00 O ATOM 502 CB PRO A 38 10.722 -12.629 -7.912 1.00 0.00 C ATOM 503 CG PRO A 38 10.951 -11.777 -9.112 1.00 0.00 C ATOM 504 CD PRO A 38 12.135 -10.909 -8.785 1.00 0.00 C ATOM 0 HA PRO A 38 12.134 -12.956 -6.248 1.00 0.00 H new ATOM 0 HB2 PRO A 38 10.237 -13.568 -8.180 1.00 0.00 H new ATOM 0 HB3 PRO A 38 10.075 -12.130 -7.190 1.00 0.00 H new ATOM 0 HG2 PRO A 38 11.147 -12.388 -9.993 1.00 0.00 H new ATOM 0 HG3 PRO A 38 10.072 -11.171 -9.334 1.00 0.00 H new ATOM 0 HD2 PRO A 38 12.733 -10.694 -9.671 1.00 0.00 H new ATOM 0 HD3 PRO A 38 11.828 -9.950 -8.367 1.00 0.00 H new ATOM 512 N VAL A 39 13.073 -15.061 -6.918 1.00 0.00 N ATOM 513 CA VAL A 39 13.632 -16.359 -7.275 1.00 0.00 C ATOM 514 C VAL A 39 12.757 -17.495 -6.754 1.00 0.00 C ATOM 515 O VAL A 39 12.060 -17.347 -5.750 1.00 0.00 O ATOM 516 CB VAL A 39 15.057 -16.528 -6.720 1.00 0.00 C ATOM 517 CG1 VAL A 39 15.208 -15.788 -5.400 1.00 0.00 C ATOM 518 CG2 VAL A 39 15.393 -18.003 -6.555 1.00 0.00 C ATOM 0 H VAL A 39 13.008 -14.892 -5.914 1.00 0.00 H new ATOM 0 HA VAL A 39 13.667 -16.400 -8.364 1.00 0.00 H new ATOM 0 HB VAL A 39 15.759 -16.096 -7.433 1.00 0.00 H new ATOM 0 HG11 VAL A 39 16.222 -15.919 -5.023 1.00 0.00 H new ATOM 0 HG12 VAL A 39 15.012 -14.727 -5.553 1.00 0.00 H new ATOM 0 HG13 VAL A 39 14.498 -16.187 -4.676 1.00 0.00 H new ATOM 0 HG21 VAL A 39 16.404 -18.104 -6.162 1.00 0.00 H new ATOM 0 HG22 VAL A 39 14.687 -18.462 -5.863 1.00 0.00 H new ATOM 0 HG23 VAL A 39 15.329 -18.501 -7.522 1.00 0.00 H new ATOM 528 N PHE A 40 12.800 -18.631 -7.443 1.00 0.00 N ATOM 529 CA PHE A 40 12.011 -19.793 -7.051 1.00 0.00 C ATOM 530 C PHE A 40 12.840 -21.071 -7.152 1.00 0.00 C ATOM 531 O PHE A 40 12.958 -21.665 -8.224 1.00 0.00 O ATOM 532 CB PHE A 40 10.764 -19.910 -7.929 1.00 0.00 C ATOM 533 CG PHE A 40 10.271 -18.590 -8.448 1.00 0.00 C ATOM 534 CD1 PHE A 40 9.924 -17.573 -7.573 1.00 0.00 C ATOM 535 CD2 PHE A 40 10.153 -18.366 -9.810 1.00 0.00 C ATOM 536 CE1 PHE A 40 9.469 -16.356 -8.047 1.00 0.00 C ATOM 537 CE2 PHE A 40 9.700 -17.151 -10.290 1.00 0.00 C ATOM 538 CZ PHE A 40 9.356 -16.146 -9.407 1.00 0.00 C ATOM 0 H PHE A 40 13.373 -18.771 -8.275 1.00 0.00 H new ATOM 0 HA PHE A 40 11.704 -19.660 -6.014 1.00 0.00 H new ATOM 0 HB2 PHE A 40 10.984 -20.564 -8.773 1.00 0.00 H new ATOM 0 HB3 PHE A 40 9.969 -20.386 -7.355 1.00 0.00 H new ATOM 0 HD1 PHE A 40 10.010 -17.733 -6.508 1.00 0.00 H new ATOM 0 HD2 PHE A 40 10.418 -19.149 -10.505 1.00 0.00 H new ATOM 0 HE1 PHE A 40 9.203 -15.571 -7.355 1.00 0.00 H new ATOM 0 HE2 PHE A 40 9.615 -16.988 -11.354 1.00 0.00 H new ATOM 0 HZ PHE A 40 8.999 -15.197 -9.780 1.00 0.00 H new ATOM 548 N HIS A 41 13.413 -21.488 -6.027 1.00 0.00 N ATOM 549 CA HIS A 41 14.230 -22.695 -5.987 1.00 0.00 C ATOM 550 C HIS A 41 13.679 -23.691 -4.971 1.00 0.00 C ATOM 551 O HIS A 41 13.401 -23.335 -3.826 1.00 0.00 O ATOM 552 CB HIS A 41 15.678 -22.345 -5.643 1.00 0.00 C ATOM 553 CG HIS A 41 15.816 -21.530 -4.394 1.00 0.00 C ATOM 554 ND1 HIS A 41 15.455 -21.995 -3.148 1.00 0.00 N ATOM 555 CD2 HIS A 41 16.281 -20.273 -4.204 1.00 0.00 C ATOM 556 CE1 HIS A 41 15.689 -21.059 -2.245 1.00 0.00 C ATOM 557 NE2 HIS A 41 16.192 -20.004 -2.860 1.00 0.00 N ATOM 0 H HIS A 41 13.326 -21.008 -5.131 1.00 0.00 H new ATOM 0 HA HIS A 41 14.201 -23.157 -6.974 1.00 0.00 H new ATOM 0 HB2 HIS A 41 16.249 -23.267 -5.531 1.00 0.00 H new ATOM 0 HB3 HIS A 41 16.118 -21.796 -6.476 1.00 0.00 H new ATOM 0 HD1 HIS A 41 15.067 -22.918 -2.953 1.00 0.00 H new ATOM 0 HD2 HIS A 41 16.653 -19.606 -4.967 1.00 0.00 H new ATOM 0 HE1 HIS A 41 15.501 -21.143 -1.185 1.00 0.00 H new ATOM 565 N ASP A 42 13.524 -24.939 -5.398 1.00 0.00 N ATOM 566 CA ASP A 42 13.007 -25.987 -4.525 1.00 0.00 C ATOM 567 C ASP A 42 11.663 -25.582 -3.928 1.00 0.00 C ATOM 568 O ASP A 42 11.396 -25.827 -2.752 1.00 0.00 O ATOM 569 CB ASP A 42 14.007 -26.289 -3.407 1.00 0.00 C ATOM 570 CG ASP A 42 15.427 -26.424 -3.921 1.00 0.00 C ATOM 571 OD1 ASP A 42 15.605 -26.952 -5.038 1.00 0.00 O ATOM 572 OD2 ASP A 42 16.360 -26.003 -3.205 1.00 0.00 O ATOM 0 H ASP A 42 13.749 -25.250 -6.343 1.00 0.00 H new ATOM 0 HA ASP A 42 12.862 -26.886 -5.124 1.00 0.00 H new ATOM 0 HB2 ASP A 42 13.967 -25.493 -2.663 1.00 0.00 H new ATOM 0 HB3 ASP A 42 13.717 -27.211 -2.903 1.00 0.00 H new ATOM 577 N ALA A 43 10.821 -24.961 -4.747 1.00 0.00 N ATOM 578 CA ALA A 43 9.504 -24.523 -4.300 1.00 0.00 C ATOM 579 C ALA A 43 9.617 -23.383 -3.293 1.00 0.00 C ATOM 580 O ALA A 43 8.625 -22.970 -2.693 1.00 0.00 O ATOM 581 CB ALA A 43 8.738 -25.690 -3.695 1.00 0.00 C ATOM 0 H ALA A 43 11.027 -24.750 -5.723 1.00 0.00 H new ATOM 0 HA ALA A 43 8.957 -24.154 -5.167 1.00 0.00 H new ATOM 0 HB1 ALA A 43 7.757 -25.349 -3.365 1.00 0.00 H new ATOM 0 HB2 ALA A 43 8.618 -26.473 -4.443 1.00 0.00 H new ATOM 0 HB3 ALA A 43 9.290 -26.085 -2.842 1.00 0.00 H new ATOM 587 N LEU A 44 10.833 -22.879 -3.111 1.00 0.00 N ATOM 588 CA LEU A 44 11.076 -21.787 -2.176 1.00 0.00 C ATOM 589 C LEU A 44 11.194 -20.456 -2.911 1.00 0.00 C ATOM 590 O LEU A 44 12.233 -20.146 -3.495 1.00 0.00 O ATOM 591 CB LEU A 44 12.351 -22.052 -1.371 1.00 0.00 C ATOM 592 CG LEU A 44 12.543 -23.484 -0.873 1.00 0.00 C ATOM 593 CD1 LEU A 44 13.951 -23.676 -0.333 1.00 0.00 C ATOM 594 CD2 LEU A 44 11.510 -23.821 0.193 1.00 0.00 C ATOM 0 H LEU A 44 11.666 -23.210 -3.599 1.00 0.00 H new ATOM 0 HA LEU A 44 10.227 -21.731 -1.494 1.00 0.00 H new ATOM 0 HB2 LEU A 44 13.209 -21.785 -1.988 1.00 0.00 H new ATOM 0 HB3 LEU A 44 12.358 -21.385 -0.509 1.00 0.00 H new ATOM 0 HG LEU A 44 12.402 -24.163 -1.714 1.00 0.00 H new ATOM 0 HD11 LEU A 44 14.070 -24.701 0.017 1.00 0.00 H new ATOM 0 HD12 LEU A 44 14.674 -23.477 -1.124 1.00 0.00 H new ATOM 0 HD13 LEU A 44 14.120 -22.988 0.495 1.00 0.00 H new ATOM 0 HD21 LEU A 44 11.662 -24.844 0.536 1.00 0.00 H new ATOM 0 HD22 LEU A 44 11.619 -23.136 1.034 1.00 0.00 H new ATOM 0 HD23 LEU A 44 10.509 -23.724 -0.227 1.00 0.00 H new ATOM 606 N LYS A 45 10.122 -19.670 -2.878 1.00 0.00 N ATOM 607 CA LYS A 45 10.105 -18.370 -3.538 1.00 0.00 C ATOM 608 C LYS A 45 10.712 -17.296 -2.641 1.00 0.00 C ATOM 609 O LYS A 45 10.229 -17.050 -1.537 1.00 0.00 O ATOM 610 CB LYS A 45 8.672 -17.985 -3.913 1.00 0.00 C ATOM 611 CG LYS A 45 8.000 -18.979 -4.844 1.00 0.00 C ATOM 612 CD LYS A 45 6.514 -18.691 -4.988 1.00 0.00 C ATOM 613 CE LYS A 45 5.747 -19.927 -5.434 1.00 0.00 C ATOM 614 NZ LYS A 45 5.889 -20.169 -6.897 1.00 0.00 N ATOM 0 H LYS A 45 9.254 -19.911 -2.401 1.00 0.00 H new ATOM 0 HA LYS A 45 10.705 -18.443 -4.445 1.00 0.00 H new ATOM 0 HB2 LYS A 45 8.079 -17.894 -3.003 1.00 0.00 H new ATOM 0 HB3 LYS A 45 8.680 -17.004 -4.387 1.00 0.00 H new ATOM 0 HG2 LYS A 45 8.476 -18.940 -5.824 1.00 0.00 H new ATOM 0 HG3 LYS A 45 8.140 -19.990 -4.461 1.00 0.00 H new ATOM 0 HD2 LYS A 45 6.117 -18.339 -4.036 1.00 0.00 H new ATOM 0 HD3 LYS A 45 6.366 -17.889 -5.711 1.00 0.00 H new ATOM 0 HE2 LYS A 45 6.108 -20.797 -4.885 1.00 0.00 H new ATOM 0 HE3 LYS A 45 4.692 -19.809 -5.186 1.00 0.00 H new ATOM 0 HZ1 LYS A 45 5.352 -21.020 -7.162 1.00 0.00 H new ATOM 0 HZ2 LYS A 45 5.521 -19.350 -7.422 1.00 0.00 H new ATOM 0 HZ3 LYS A 45 6.893 -20.307 -7.130 1.00 0.00 H new ATOM 628 N GLY A 46 11.775 -16.659 -3.124 1.00 0.00 N ATOM 629 CA GLY A 46 12.431 -15.619 -2.353 1.00 0.00 C ATOM 630 C GLY A 46 13.060 -14.556 -3.232 1.00 0.00 C ATOM 631 O GLY A 46 12.556 -14.258 -4.314 1.00 0.00 O ATOM 0 H GLY A 46 12.193 -16.845 -4.036 1.00 0.00 H new ATOM 0 HA2 GLY A 46 11.706 -15.153 -1.687 1.00 0.00 H new ATOM 0 HA3 GLY A 46 13.200 -16.067 -1.724 1.00 0.00 H new ATOM 635 N TRP A 47 14.163 -13.983 -2.765 1.00 0.00 N ATOM 636 CA TRP A 47 14.862 -12.946 -3.516 1.00 0.00 C ATOM 637 C TRP A 47 16.372 -13.094 -3.373 1.00 0.00 C ATOM 638 O TRP A 47 16.865 -13.560 -2.345 1.00 0.00 O ATOM 639 CB TRP A 47 14.425 -11.560 -3.038 1.00 0.00 C ATOM 640 CG TRP A 47 12.945 -11.341 -3.124 1.00 0.00 C ATOM 641 CD1 TRP A 47 11.994 -11.828 -2.273 1.00 0.00 C ATOM 642 CD2 TRP A 47 12.247 -10.580 -4.116 1.00 0.00 C ATOM 643 NE1 TRP A 47 10.747 -11.416 -2.677 1.00 0.00 N ATOM 644 CE2 TRP A 47 10.875 -10.649 -3.804 1.00 0.00 C ATOM 645 CE3 TRP A 47 12.649 -9.847 -5.236 1.00 0.00 C ATOM 646 CZ2 TRP A 47 9.906 -10.012 -4.574 1.00 0.00 C ATOM 647 CZ3 TRP A 47 11.684 -9.216 -5.998 1.00 0.00 C ATOM 648 CH2 TRP A 47 10.326 -9.301 -5.664 1.00 0.00 C ATOM 0 H TRP A 47 14.593 -14.218 -1.870 1.00 0.00 H new ATOM 0 HA TRP A 47 14.604 -13.058 -4.569 1.00 0.00 H new ATOM 0 HB2 TRP A 47 14.746 -11.422 -2.006 1.00 0.00 H new ATOM 0 HB3 TRP A 47 14.932 -10.801 -3.634 1.00 0.00 H new ATOM 0 HD1 TRP A 47 12.193 -12.446 -1.410 1.00 0.00 H new ATOM 0 HE1 TRP A 47 9.868 -11.645 -2.213 1.00 0.00 H new ATOM 0 HE3 TRP A 47 13.694 -9.775 -5.501 1.00 0.00 H new ATOM 0 HZ2 TRP A 47 8.858 -10.077 -4.319 1.00 0.00 H new ATOM 0 HZ3 TRP A 47 11.982 -8.647 -6.866 1.00 0.00 H new ATOM 0 HH2 TRP A 47 9.597 -8.795 -6.279 1.00 0.00 H new ATOM 659 N SER A 48 17.104 -12.695 -4.409 1.00 0.00 N ATOM 660 CA SER A 48 18.559 -12.787 -4.399 1.00 0.00 C ATOM 661 C SER A 48 19.170 -11.634 -3.609 1.00 0.00 C ATOM 662 O SER A 48 20.380 -11.405 -3.659 1.00 0.00 O ATOM 663 CB SER A 48 19.101 -12.785 -5.830 1.00 0.00 C ATOM 664 OG SER A 48 20.508 -12.624 -5.842 1.00 0.00 O ATOM 0 H SER A 48 16.712 -12.305 -5.266 1.00 0.00 H new ATOM 0 HA SER A 48 18.837 -13.723 -3.915 1.00 0.00 H new ATOM 0 HB2 SER A 48 18.835 -13.719 -6.324 1.00 0.00 H new ATOM 0 HB3 SER A 48 18.635 -11.980 -6.398 1.00 0.00 H new ATOM 0 HG SER A 48 20.822 -12.420 -4.936 1.00 0.00 H new ATOM 670 N CYS A 49 18.326 -10.911 -2.881 1.00 0.00 N ATOM 671 CA CYS A 49 18.782 -9.781 -2.080 1.00 0.00 C ATOM 672 C CYS A 49 18.985 -10.192 -0.624 1.00 0.00 C ATOM 673 O CYS A 49 19.958 -9.794 0.016 1.00 0.00 O ATOM 674 CB CYS A 49 17.775 -8.632 -2.162 1.00 0.00 C ATOM 675 SG CYS A 49 16.042 -9.145 -1.935 1.00 0.00 S ATOM 0 H CYS A 49 17.323 -11.087 -2.829 1.00 0.00 H new ATOM 0 HA CYS A 49 19.739 -9.446 -2.481 1.00 0.00 H new ATOM 0 HB2 CYS A 49 18.025 -7.889 -1.405 1.00 0.00 H new ATOM 0 HB3 CYS A 49 17.874 -8.144 -3.132 1.00 0.00 H new ATOM 680 N CYS A 50 18.057 -10.992 -0.107 1.00 0.00 N ATOM 681 CA CYS A 50 18.132 -11.458 1.272 1.00 0.00 C ATOM 682 C CYS A 50 18.101 -12.982 1.334 1.00 0.00 C ATOM 683 O CYS A 50 18.014 -13.655 0.306 1.00 0.00 O ATOM 684 CB CYS A 50 16.976 -10.880 2.091 1.00 0.00 C ATOM 685 SG CYS A 50 15.391 -10.811 1.195 1.00 0.00 S ATOM 0 H CYS A 50 17.245 -11.330 -0.623 1.00 0.00 H new ATOM 0 HA CYS A 50 19.076 -11.114 1.694 1.00 0.00 H new ATOM 0 HB2 CYS A 50 16.846 -11.481 2.991 1.00 0.00 H new ATOM 0 HB3 CYS A 50 17.242 -9.874 2.415 1.00 0.00 H new ATOM 690 N LYS A 51 18.170 -13.521 2.546 1.00 0.00 N ATOM 691 CA LYS A 51 18.149 -14.966 2.744 1.00 0.00 C ATOM 692 C LYS A 51 16.717 -15.474 2.885 1.00 0.00 C ATOM 693 O LYS A 51 16.437 -16.645 2.629 1.00 0.00 O ATOM 694 CB LYS A 51 18.959 -15.343 3.986 1.00 0.00 C ATOM 695 CG LYS A 51 20.132 -14.416 4.251 1.00 0.00 C ATOM 696 CD LYS A 51 21.169 -15.072 5.148 1.00 0.00 C ATOM 697 CE LYS A 51 20.521 -15.750 6.345 1.00 0.00 C ATOM 698 NZ LYS A 51 19.743 -14.787 7.174 1.00 0.00 N ATOM 0 H LYS A 51 18.241 -12.979 3.407 1.00 0.00 H new ATOM 0 HA LYS A 51 18.599 -15.435 1.869 1.00 0.00 H new ATOM 0 HB2 LYS A 51 18.300 -15.339 4.854 1.00 0.00 H new ATOM 0 HB3 LYS A 51 19.330 -16.362 3.872 1.00 0.00 H new ATOM 0 HG2 LYS A 51 20.594 -14.133 3.305 1.00 0.00 H new ATOM 0 HG3 LYS A 51 19.774 -13.499 4.718 1.00 0.00 H new ATOM 0 HD2 LYS A 51 21.735 -15.806 4.575 1.00 0.00 H new ATOM 0 HD3 LYS A 51 21.879 -14.321 5.494 1.00 0.00 H new ATOM 0 HE2 LYS A 51 19.862 -16.546 5.999 1.00 0.00 H new ATOM 0 HE3 LYS A 51 21.291 -16.218 6.958 1.00 0.00 H new ATOM 0 HZ1 LYS A 51 19.861 -15.021 8.180 1.00 0.00 H new ATOM 0 HZ2 LYS A 51 20.088 -13.821 7.000 1.00 0.00 H new ATOM 0 HZ3 LYS A 51 18.736 -14.846 6.921 1.00 0.00 H new ATOM 712 N ARG A 52 15.816 -14.586 3.292 1.00 0.00 N ATOM 713 CA ARG A 52 14.413 -14.946 3.466 1.00 0.00 C ATOM 714 C ARG A 52 13.943 -15.860 2.339 1.00 0.00 C ATOM 715 O ARG A 52 14.252 -15.630 1.170 1.00 0.00 O ATOM 716 CB ARG A 52 13.545 -13.687 3.513 1.00 0.00 C ATOM 717 CG ARG A 52 12.073 -13.973 3.765 1.00 0.00 C ATOM 718 CD ARG A 52 11.760 -14.013 5.252 1.00 0.00 C ATOM 719 NE ARG A 52 12.028 -15.326 5.833 1.00 0.00 N ATOM 720 CZ ARG A 52 11.442 -15.775 6.937 1.00 0.00 C ATOM 721 NH1 ARG A 52 10.559 -15.020 7.577 1.00 0.00 N ATOM 722 NH2 ARG A 52 11.738 -16.981 7.404 1.00 0.00 N ATOM 0 H ARG A 52 16.032 -13.613 3.507 1.00 0.00 H new ATOM 0 HA ARG A 52 14.315 -15.483 4.410 1.00 0.00 H new ATOM 0 HB2 ARG A 52 13.918 -13.027 4.297 1.00 0.00 H new ATOM 0 HB3 ARG A 52 13.646 -13.150 2.570 1.00 0.00 H new ATOM 0 HG2 ARG A 52 11.465 -13.206 3.285 1.00 0.00 H new ATOM 0 HG3 ARG A 52 11.803 -14.926 3.310 1.00 0.00 H new ATOM 0 HD2 ARG A 52 12.356 -13.260 5.768 1.00 0.00 H new ATOM 0 HD3 ARG A 52 10.713 -13.754 5.409 1.00 0.00 H new ATOM 0 HE ARG A 52 12.702 -15.931 5.365 1.00 0.00 H new ATOM 0 HH11 ARG A 52 10.329 -14.092 7.221 1.00 0.00 H new ATOM 0 HH12 ARG A 52 10.110 -15.367 8.425 1.00 0.00 H new ATOM 0 HH21 ARG A 52 12.417 -17.565 6.915 1.00 0.00 H new ATOM 0 HH22 ARG A 52 11.287 -17.324 8.252 1.00 0.00 H new ATOM 736 N ARG A 53 13.194 -16.897 2.699 1.00 0.00 N ATOM 737 CA ARG A 53 12.682 -17.847 1.719 1.00 0.00 C ATOM 738 C ARG A 53 11.403 -18.509 2.220 1.00 0.00 C ATOM 739 O ARG A 53 11.306 -18.897 3.385 1.00 0.00 O ATOM 740 CB ARG A 53 13.736 -18.914 1.413 1.00 0.00 C ATOM 741 CG ARG A 53 13.664 -19.450 -0.008 1.00 0.00 C ATOM 742 CD ARG A 53 14.507 -18.616 -0.960 1.00 0.00 C ATOM 743 NE ARG A 53 15.932 -18.711 -0.656 1.00 0.00 N ATOM 744 CZ ARG A 53 16.858 -17.945 -1.223 1.00 0.00 C ATOM 745 NH1 ARG A 53 16.508 -17.031 -2.118 1.00 0.00 N ATOM 746 NH2 ARG A 53 18.135 -18.091 -0.895 1.00 0.00 N ATOM 0 H ARG A 53 12.928 -17.101 3.662 1.00 0.00 H new ATOM 0 HA ARG A 53 12.453 -17.300 0.805 1.00 0.00 H new ATOM 0 HB2 ARG A 53 14.727 -18.494 1.584 1.00 0.00 H new ATOM 0 HB3 ARG A 53 13.616 -19.742 2.111 1.00 0.00 H new ATOM 0 HG2 ARG A 53 14.008 -20.484 -0.026 1.00 0.00 H new ATOM 0 HG3 ARG A 53 12.627 -19.453 -0.345 1.00 0.00 H new ATOM 0 HD2 ARG A 53 14.332 -18.947 -1.984 1.00 0.00 H new ATOM 0 HD3 ARG A 53 14.193 -17.574 -0.904 1.00 0.00 H new ATOM 0 HE ARG A 53 16.233 -19.404 0.029 1.00 0.00 H new ATOM 0 HH11 ARG A 53 15.527 -16.915 -2.372 1.00 0.00 H new ATOM 0 HH12 ARG A 53 17.220 -16.444 -2.552 1.00 0.00 H new ATOM 0 HH21 ARG A 53 18.408 -18.792 -0.206 1.00 0.00 H new ATOM 0 HH22 ARG A 53 18.844 -17.502 -1.331 1.00 0.00 H new ATOM 760 N THR A 54 10.420 -18.635 1.333 1.00 0.00 N ATOM 761 CA THR A 54 9.146 -19.248 1.685 1.00 0.00 C ATOM 762 C THR A 54 8.551 -20.000 0.499 1.00 0.00 C ATOM 763 O THR A 54 8.834 -19.682 -0.657 1.00 0.00 O ATOM 764 CB THR A 54 8.132 -18.196 2.172 1.00 0.00 C ATOM 765 OG1 THR A 54 6.943 -18.841 2.639 1.00 0.00 O ATOM 766 CG2 THR A 54 7.783 -17.224 1.055 1.00 0.00 C ATOM 0 H THR A 54 10.483 -18.320 0.365 1.00 0.00 H new ATOM 0 HA THR A 54 9.346 -19.951 2.494 1.00 0.00 H new ATOM 0 HB THR A 54 8.586 -17.637 2.990 1.00 0.00 H new ATOM 0 HG1 THR A 54 6.799 -18.619 3.583 1.00 0.00 H new ATOM 0 HG21 THR A 54 7.065 -16.490 1.422 1.00 0.00 H new ATOM 0 HG22 THR A 54 8.686 -16.713 0.722 1.00 0.00 H new ATOM 0 HG23 THR A 54 7.347 -17.771 0.219 1.00 0.00 H new ATOM 774 N THR A 55 7.724 -20.998 0.792 1.00 0.00 N ATOM 775 CA THR A 55 7.089 -21.796 -0.250 1.00 0.00 C ATOM 776 C THR A 55 5.686 -21.285 -0.555 1.00 0.00 C ATOM 777 O THR A 55 5.203 -21.403 -1.682 1.00 0.00 O ATOM 778 CB THR A 55 7.007 -23.281 0.151 1.00 0.00 C ATOM 779 OG1 THR A 55 5.931 -23.480 1.075 1.00 0.00 O ATOM 780 CG2 THR A 55 8.312 -23.745 0.779 1.00 0.00 C ATOM 0 H THR A 55 7.478 -21.273 1.743 1.00 0.00 H new ATOM 0 HA THR A 55 7.709 -21.702 -1.142 1.00 0.00 H new ATOM 0 HB THR A 55 6.826 -23.868 -0.750 1.00 0.00 H new ATOM 0 HG1 THR A 55 5.884 -24.427 1.324 1.00 0.00 H new ATOM 0 HG21 THR A 55 8.230 -24.797 1.054 1.00 0.00 H new ATOM 0 HG22 THR A 55 9.125 -23.619 0.064 1.00 0.00 H new ATOM 0 HG23 THR A 55 8.518 -23.152 1.670 1.00 0.00 H new ATOM 788 N ASP A 56 5.035 -20.716 0.454 1.00 0.00 N ATOM 789 CA ASP A 56 3.688 -20.185 0.293 1.00 0.00 C ATOM 790 C ASP A 56 3.698 -18.934 -0.581 1.00 0.00 C ATOM 791 O ASP A 56 4.090 -17.856 -0.136 1.00 0.00 O ATOM 792 CB ASP A 56 3.076 -19.863 1.657 1.00 0.00 C ATOM 793 CG ASP A 56 2.550 -21.099 2.362 1.00 0.00 C ATOM 794 OD1 ASP A 56 2.981 -22.215 2.002 1.00 0.00 O ATOM 795 OD2 ASP A 56 1.711 -20.950 3.274 1.00 0.00 O ATOM 0 H ASP A 56 5.420 -20.611 1.393 1.00 0.00 H new ATOM 0 HA ASP A 56 3.081 -20.946 -0.198 1.00 0.00 H new ATOM 0 HB2 ASP A 56 3.827 -19.382 2.284 1.00 0.00 H new ATOM 0 HB3 ASP A 56 2.263 -19.148 1.528 1.00 0.00 H new ATOM 800 N PHE A 57 3.261 -19.087 -1.828 1.00 0.00 N ATOM 801 CA PHE A 57 3.222 -17.970 -2.765 1.00 0.00 C ATOM 802 C PHE A 57 2.727 -16.701 -2.079 1.00 0.00 C ATOM 803 O PHE A 57 3.096 -15.591 -2.463 1.00 0.00 O ATOM 804 CB PHE A 57 2.318 -18.306 -3.953 1.00 0.00 C ATOM 805 CG PHE A 57 2.075 -17.142 -4.870 1.00 0.00 C ATOM 806 CD1 PHE A 57 3.096 -16.257 -5.173 1.00 0.00 C ATOM 807 CD2 PHE A 57 0.825 -16.932 -5.428 1.00 0.00 C ATOM 808 CE1 PHE A 57 2.875 -15.184 -6.016 1.00 0.00 C ATOM 809 CE2 PHE A 57 0.596 -15.861 -6.271 1.00 0.00 C ATOM 810 CZ PHE A 57 1.624 -14.986 -6.566 1.00 0.00 C ATOM 0 H PHE A 57 2.930 -19.972 -2.212 1.00 0.00 H new ATOM 0 HA PHE A 57 4.236 -17.795 -3.125 1.00 0.00 H new ATOM 0 HB2 PHE A 57 2.768 -19.119 -4.523 1.00 0.00 H new ATOM 0 HB3 PHE A 57 1.361 -18.670 -3.579 1.00 0.00 H new ATOM 0 HD1 PHE A 57 4.076 -16.407 -4.746 1.00 0.00 H new ATOM 0 HD2 PHE A 57 0.019 -17.614 -5.201 1.00 0.00 H new ATOM 0 HE1 PHE A 57 3.680 -14.501 -6.244 1.00 0.00 H new ATOM 0 HE2 PHE A 57 -0.384 -15.708 -6.698 1.00 0.00 H new ATOM 0 HZ PHE A 57 1.449 -14.149 -7.226 1.00 0.00 H new ATOM 820 N SER A 58 1.891 -16.873 -1.061 1.00 0.00 N ATOM 821 CA SER A 58 1.342 -15.742 -0.322 1.00 0.00 C ATOM 822 C SER A 58 2.415 -15.080 0.535 1.00 0.00 C ATOM 823 O SER A 58 2.483 -13.854 0.629 1.00 0.00 O ATOM 824 CB SER A 58 0.179 -16.198 0.560 1.00 0.00 C ATOM 825 OG SER A 58 -1.040 -16.200 -0.164 1.00 0.00 O ATOM 0 H SER A 58 1.579 -17.785 -0.729 1.00 0.00 H new ATOM 0 HA SER A 58 0.977 -15.012 -1.044 1.00 0.00 H new ATOM 0 HB2 SER A 58 0.380 -17.198 0.943 1.00 0.00 H new ATOM 0 HB3 SER A 58 0.092 -15.538 1.423 1.00 0.00 H new ATOM 0 HG SER A 58 -1.768 -16.497 0.421 1.00 0.00 H new ATOM 831 N ASP A 59 3.254 -15.900 1.158 1.00 0.00 N ATOM 832 CA ASP A 59 4.327 -15.395 2.008 1.00 0.00 C ATOM 833 C ASP A 59 5.375 -14.658 1.180 1.00 0.00 C ATOM 834 O ASP A 59 5.849 -13.590 1.568 1.00 0.00 O ATOM 835 CB ASP A 59 4.983 -16.545 2.775 1.00 0.00 C ATOM 836 CG ASP A 59 5.818 -16.059 3.943 1.00 0.00 C ATOM 837 OD1 ASP A 59 5.259 -15.390 4.836 1.00 0.00 O ATOM 838 OD2 ASP A 59 7.033 -16.349 3.963 1.00 0.00 O ATOM 0 H ASP A 59 3.212 -16.917 1.091 1.00 0.00 H new ATOM 0 HA ASP A 59 3.893 -14.693 2.720 1.00 0.00 H new ATOM 0 HB2 ASP A 59 4.210 -17.221 3.141 1.00 0.00 H new ATOM 0 HB3 ASP A 59 5.613 -17.119 2.095 1.00 0.00 H new ATOM 843 N PHE A 60 5.733 -15.235 0.037 1.00 0.00 N ATOM 844 CA PHE A 60 6.726 -14.633 -0.845 1.00 0.00 C ATOM 845 C PHE A 60 6.396 -13.169 -1.117 1.00 0.00 C ATOM 846 O PHE A 60 7.292 -12.333 -1.250 1.00 0.00 O ATOM 847 CB PHE A 60 6.801 -15.405 -2.164 1.00 0.00 C ATOM 848 CG PHE A 60 7.226 -14.558 -3.330 1.00 0.00 C ATOM 849 CD1 PHE A 60 8.569 -14.354 -3.602 1.00 0.00 C ATOM 850 CD2 PHE A 60 6.283 -13.966 -4.154 1.00 0.00 C ATOM 851 CE1 PHE A 60 8.964 -13.576 -4.674 1.00 0.00 C ATOM 852 CE2 PHE A 60 6.670 -13.187 -5.227 1.00 0.00 C ATOM 853 CZ PHE A 60 8.012 -12.991 -5.487 1.00 0.00 C ATOM 0 H PHE A 60 5.350 -16.118 -0.300 1.00 0.00 H new ATOM 0 HA PHE A 60 7.695 -14.682 -0.348 1.00 0.00 H new ATOM 0 HB2 PHE A 60 7.501 -16.233 -2.052 1.00 0.00 H new ATOM 0 HB3 PHE A 60 5.825 -15.840 -2.378 1.00 0.00 H new ATOM 0 HD1 PHE A 60 9.317 -14.808 -2.969 1.00 0.00 H new ATOM 0 HD2 PHE A 60 5.232 -14.115 -3.955 1.00 0.00 H new ATOM 0 HE1 PHE A 60 10.014 -13.426 -4.876 1.00 0.00 H new ATOM 0 HE2 PHE A 60 5.924 -12.732 -5.862 1.00 0.00 H new ATOM 0 HZ PHE A 60 8.317 -12.381 -6.325 1.00 0.00 H new ATOM 863 N LEU A 61 5.106 -12.865 -1.199 1.00 0.00 N ATOM 864 CA LEU A 61 4.655 -11.501 -1.455 1.00 0.00 C ATOM 865 C LEU A 61 4.660 -10.676 -0.173 1.00 0.00 C ATOM 866 O LEU A 61 4.632 -9.446 -0.214 1.00 0.00 O ATOM 867 CB LEU A 61 3.252 -11.512 -2.063 1.00 0.00 C ATOM 868 CG LEU A 61 3.003 -12.549 -3.160 1.00 0.00 C ATOM 869 CD1 LEU A 61 1.527 -12.910 -3.228 1.00 0.00 C ATOM 870 CD2 LEU A 61 3.490 -12.029 -4.504 1.00 0.00 C ATOM 0 H LEU A 61 4.353 -13.545 -1.092 1.00 0.00 H new ATOM 0 HA LEU A 61 5.347 -11.043 -2.162 1.00 0.00 H new ATOM 0 HB2 LEU A 61 2.532 -11.680 -1.262 1.00 0.00 H new ATOM 0 HB3 LEU A 61 3.048 -10.523 -2.473 1.00 0.00 H new ATOM 0 HG LEU A 61 3.565 -13.451 -2.917 1.00 0.00 H new ATOM 0 HD11 LEU A 61 1.369 -13.649 -4.014 1.00 0.00 H new ATOM 0 HD12 LEU A 61 1.209 -13.324 -2.271 1.00 0.00 H new ATOM 0 HD13 LEU A 61 0.944 -12.016 -3.448 1.00 0.00 H new ATOM 0 HD21 LEU A 61 3.305 -12.779 -5.273 1.00 0.00 H new ATOM 0 HD22 LEU A 61 2.956 -11.113 -4.755 1.00 0.00 H new ATOM 0 HD23 LEU A 61 4.559 -11.822 -4.448 1.00 0.00 H new ATOM 882 N SER A 62 4.698 -11.361 0.966 1.00 0.00 N ATOM 883 CA SER A 62 4.705 -10.691 2.261 1.00 0.00 C ATOM 884 C SER A 62 6.127 -10.336 2.681 1.00 0.00 C ATOM 885 O SER A 62 6.356 -9.328 3.350 1.00 0.00 O ATOM 886 CB SER A 62 4.054 -11.580 3.322 1.00 0.00 C ATOM 887 OG SER A 62 3.431 -10.800 4.329 1.00 0.00 O ATOM 0 H SER A 62 4.724 -12.379 1.018 1.00 0.00 H new ATOM 0 HA SER A 62 4.132 -9.769 2.169 1.00 0.00 H new ATOM 0 HB2 SER A 62 3.316 -12.231 2.853 1.00 0.00 H new ATOM 0 HB3 SER A 62 4.808 -12.226 3.772 1.00 0.00 H new ATOM 0 HG SER A 62 3.021 -11.392 4.994 1.00 0.00 H new ATOM 893 N ILE A 63 7.082 -11.172 2.284 1.00 0.00 N ATOM 894 CA ILE A 63 8.481 -10.947 2.618 1.00 0.00 C ATOM 895 C ILE A 63 8.806 -9.458 2.657 1.00 0.00 C ATOM 896 O ILE A 63 8.974 -8.821 1.617 1.00 0.00 O ATOM 897 CB ILE A 63 9.419 -11.639 1.611 1.00 0.00 C ATOM 898 CG1 ILE A 63 9.227 -13.156 1.661 1.00 0.00 C ATOM 899 CG2 ILE A 63 10.868 -11.273 1.897 1.00 0.00 C ATOM 900 CD1 ILE A 63 9.885 -13.887 0.511 1.00 0.00 C ATOM 0 H ILE A 63 6.910 -12.011 1.730 1.00 0.00 H new ATOM 0 HA ILE A 63 8.641 -11.377 3.607 1.00 0.00 H new ATOM 0 HB ILE A 63 9.169 -11.293 0.608 1.00 0.00 H new ATOM 0 HG12 ILE A 63 9.631 -13.534 2.600 1.00 0.00 H new ATOM 0 HG13 ILE A 63 8.160 -13.379 1.660 1.00 0.00 H new ATOM 0 HG21 ILE A 63 11.518 -11.770 1.177 1.00 0.00 H new ATOM 0 HG22 ILE A 63 10.994 -10.193 1.814 1.00 0.00 H new ATOM 0 HG23 ILE A 63 11.132 -11.593 2.905 1.00 0.00 H new ATOM 0 HD11 ILE A 63 9.708 -14.958 0.612 1.00 0.00 H new ATOM 0 HD12 ILE A 63 9.464 -13.536 -0.431 1.00 0.00 H new ATOM 0 HD13 ILE A 63 10.958 -13.694 0.523 1.00 0.00 H new ATOM 912 N VAL A 64 8.893 -8.908 3.864 1.00 0.00 N ATOM 913 CA VAL A 64 9.200 -7.493 4.039 1.00 0.00 C ATOM 914 C VAL A 64 10.567 -7.151 3.457 1.00 0.00 C ATOM 915 O VAL A 64 11.536 -7.883 3.651 1.00 0.00 O ATOM 916 CB VAL A 64 9.172 -7.093 5.526 1.00 0.00 C ATOM 917 CG1 VAL A 64 9.236 -5.580 5.673 1.00 0.00 C ATOM 918 CG2 VAL A 64 7.929 -7.650 6.204 1.00 0.00 C ATOM 0 H VAL A 64 8.755 -9.421 4.735 1.00 0.00 H new ATOM 0 HA VAL A 64 8.432 -6.934 3.505 1.00 0.00 H new ATOM 0 HB VAL A 64 10.047 -7.519 6.016 1.00 0.00 H new ATOM 0 HG11 VAL A 64 9.215 -5.316 6.730 1.00 0.00 H new ATOM 0 HG12 VAL A 64 10.158 -5.210 5.225 1.00 0.00 H new ATOM 0 HG13 VAL A 64 8.381 -5.129 5.170 1.00 0.00 H new ATOM 0 HG21 VAL A 64 7.925 -7.358 7.254 1.00 0.00 H new ATOM 0 HG22 VAL A 64 7.039 -7.254 5.714 1.00 0.00 H new ATOM 0 HG23 VAL A 64 7.931 -8.737 6.130 1.00 0.00 H new ATOM 928 N GLY A 65 10.637 -6.032 2.743 1.00 0.00 N ATOM 929 CA GLY A 65 11.890 -5.612 2.144 1.00 0.00 C ATOM 930 C GLY A 65 13.062 -5.749 3.095 1.00 0.00 C ATOM 931 O GLY A 65 12.927 -5.524 4.298 1.00 0.00 O ATOM 0 H GLY A 65 9.848 -5.409 2.569 1.00 0.00 H new ATOM 0 HA2 GLY A 65 12.080 -6.207 1.251 1.00 0.00 H new ATOM 0 HA3 GLY A 65 11.806 -4.574 1.823 1.00 0.00 H new ATOM 935 N CYS A 66 14.219 -6.123 2.557 1.00 0.00 N ATOM 936 CA CYS A 66 15.420 -6.293 3.365 1.00 0.00 C ATOM 937 C CYS A 66 16.312 -5.058 3.280 1.00 0.00 C ATOM 938 O CYS A 66 17.288 -4.931 4.020 1.00 0.00 O ATOM 939 CB CYS A 66 16.196 -7.529 2.908 1.00 0.00 C ATOM 940 SG CYS A 66 16.792 -7.440 1.189 1.00 0.00 S ATOM 0 H CYS A 66 14.349 -6.314 1.564 1.00 0.00 H new ATOM 0 HA CYS A 66 15.114 -6.427 4.403 1.00 0.00 H new ATOM 0 HB2 CYS A 66 17.050 -7.674 3.570 1.00 0.00 H new ATOM 0 HB3 CYS A 66 15.557 -8.406 3.015 1.00 0.00 H new ATOM 945 N THR A 67 15.972 -4.149 2.372 1.00 0.00 N ATOM 946 CA THR A 67 16.740 -2.925 2.189 1.00 0.00 C ATOM 947 C THR A 67 15.934 -1.701 2.607 1.00 0.00 C ATOM 948 O THR A 67 14.714 -1.769 2.754 1.00 0.00 O ATOM 949 CB THR A 67 17.188 -2.756 0.725 1.00 0.00 C ATOM 950 OG1 THR A 67 17.981 -3.877 0.322 1.00 0.00 O ATOM 951 CG2 THR A 67 17.986 -1.473 0.547 1.00 0.00 C ATOM 0 H THR A 67 15.168 -4.238 1.751 1.00 0.00 H new ATOM 0 HA THR A 67 17.622 -3.009 2.824 1.00 0.00 H new ATOM 0 HB THR A 67 16.296 -2.700 0.100 1.00 0.00 H new ATOM 0 HG1 THR A 67 18.930 -3.637 0.362 1.00 0.00 H new ATOM 0 HG21 THR A 67 18.291 -1.376 -0.495 1.00 0.00 H new ATOM 0 HG22 THR A 67 17.369 -0.619 0.825 1.00 0.00 H new ATOM 0 HG23 THR A 67 18.871 -1.504 1.183 1.00 0.00 H new ATOM 959 N LYS A 68 16.624 -0.581 2.796 1.00 0.00 N ATOM 960 CA LYS A 68 15.972 0.661 3.196 1.00 0.00 C ATOM 961 C LYS A 68 16.326 1.794 2.239 1.00 0.00 C ATOM 962 O LYS A 68 17.449 1.872 1.743 1.00 0.00 O ATOM 963 CB LYS A 68 16.376 1.038 4.622 1.00 0.00 C ATOM 964 CG LYS A 68 15.575 0.319 5.693 1.00 0.00 C ATOM 965 CD LYS A 68 14.326 1.098 6.073 1.00 0.00 C ATOM 966 CE LYS A 68 13.535 0.388 7.160 1.00 0.00 C ATOM 967 NZ LYS A 68 14.420 -0.133 8.240 1.00 0.00 N ATOM 0 H LYS A 68 17.635 -0.508 2.679 1.00 0.00 H new ATOM 0 HA LYS A 68 14.894 0.503 3.161 1.00 0.00 H new ATOM 0 HB2 LYS A 68 17.434 0.816 4.761 1.00 0.00 H new ATOM 0 HB3 LYS A 68 16.256 2.114 4.752 1.00 0.00 H new ATOM 0 HG2 LYS A 68 15.292 -0.671 5.334 1.00 0.00 H new ATOM 0 HG3 LYS A 68 16.196 0.173 6.576 1.00 0.00 H new ATOM 0 HD2 LYS A 68 14.607 2.093 6.418 1.00 0.00 H new ATOM 0 HD3 LYS A 68 13.697 1.232 5.193 1.00 0.00 H new ATOM 0 HE2 LYS A 68 12.807 1.077 7.588 1.00 0.00 H new ATOM 0 HE3 LYS A 68 12.974 -0.437 6.721 1.00 0.00 H new ATOM 0 HZ1 LYS A 68 13.845 -0.379 9.071 1.00 0.00 H new ATOM 0 HZ2 LYS A 68 14.919 -0.980 7.901 1.00 0.00 H new ATOM 0 HZ3 LYS A 68 15.114 0.596 8.502 1.00 0.00 H new ATOM 981 N GLY A 69 15.361 2.673 1.984 1.00 0.00 N ATOM 982 CA GLY A 69 15.592 3.791 1.088 1.00 0.00 C ATOM 983 C GLY A 69 14.389 4.704 0.978 1.00 0.00 C ATOM 984 O GLY A 69 13.587 4.801 1.908 1.00 0.00 O ATOM 0 H GLY A 69 14.423 2.630 2.382 1.00 0.00 H new ATOM 0 HA2 GLY A 69 16.449 4.365 1.442 1.00 0.00 H new ATOM 0 HA3 GLY A 69 15.849 3.413 0.099 1.00 0.00 H new ATOM 988 N ARG A 70 14.260 5.378 -0.161 1.00 0.00 N ATOM 989 CA ARG A 70 13.148 6.291 -0.388 1.00 0.00 C ATOM 990 C ARG A 70 12.179 5.721 -1.421 1.00 0.00 C ATOM 991 O ARG A 70 12.571 5.394 -2.541 1.00 0.00 O ATOM 992 CB ARG A 70 13.663 7.653 -0.854 1.00 0.00 C ATOM 993 CG ARG A 70 14.925 8.104 -0.137 1.00 0.00 C ATOM 994 CD ARG A 70 15.299 9.530 -0.510 1.00 0.00 C ATOM 995 NE ARG A 70 16.608 9.908 0.013 1.00 0.00 N ATOM 996 CZ ARG A 70 17.156 11.104 -0.171 1.00 0.00 C ATOM 997 NH1 ARG A 70 16.510 12.034 -0.861 1.00 0.00 N ATOM 998 NH2 ARG A 70 18.354 11.372 0.336 1.00 0.00 N ATOM 0 H ARG A 70 14.913 5.308 -0.941 1.00 0.00 H new ATOM 0 HA ARG A 70 12.616 6.416 0.555 1.00 0.00 H new ATOM 0 HB2 ARG A 70 13.859 7.611 -1.925 1.00 0.00 H new ATOM 0 HB3 ARG A 70 12.883 8.399 -0.702 1.00 0.00 H new ATOM 0 HG2 ARG A 70 14.776 8.036 0.941 1.00 0.00 H new ATOM 0 HG3 ARG A 70 15.747 7.434 -0.389 1.00 0.00 H new ATOM 0 HD2 ARG A 70 15.299 9.632 -1.595 1.00 0.00 H new ATOM 0 HD3 ARG A 70 14.544 10.215 -0.125 1.00 0.00 H new ATOM 0 HE ARG A 70 17.131 9.216 0.549 1.00 0.00 H new ATOM 0 HH11 ARG A 70 15.590 11.832 -1.252 1.00 0.00 H new ATOM 0 HH12 ARG A 70 16.933 12.951 -1.001 1.00 0.00 H new ATOM 0 HH21 ARG A 70 18.854 10.659 0.867 1.00 0.00 H new ATOM 0 HH22 ARG A 70 18.774 12.291 0.194 1.00 0.00 H new ATOM 1012 N HIS A 71 10.913 5.603 -1.035 1.00 0.00 N ATOM 1013 CA HIS A 71 9.887 5.073 -1.928 1.00 0.00 C ATOM 1014 C HIS A 71 10.045 5.643 -3.334 1.00 0.00 C ATOM 1015 O HIS A 71 10.387 6.812 -3.506 1.00 0.00 O ATOM 1016 CB HIS A 71 8.495 5.395 -1.387 1.00 0.00 C ATOM 1017 CG HIS A 71 8.264 4.901 0.008 1.00 0.00 C ATOM 1018 ND1 HIS A 71 7.660 3.693 0.289 1.00 0.00 N ATOM 1019 CD2 HIS A 71 8.561 5.458 1.205 1.00 0.00 C ATOM 1020 CE1 HIS A 71 7.595 3.530 1.598 1.00 0.00 C ATOM 1021 NE2 HIS A 71 8.136 4.586 2.177 1.00 0.00 N ATOM 0 H HIS A 71 10.572 5.867 -0.111 1.00 0.00 H new ATOM 0 HA HIS A 71 10.007 3.991 -1.978 1.00 0.00 H new ATOM 0 HB2 HIS A 71 8.346 6.475 -1.410 1.00 0.00 H new ATOM 0 HB3 HIS A 71 7.747 4.956 -2.047 1.00 0.00 H new ATOM 0 HD2 HIS A 71 9.043 6.411 1.366 1.00 0.00 H new ATOM 0 HE1 HIS A 71 7.171 2.678 2.108 1.00 0.00 H new ATOM 0 HE2 HIS A 71 8.224 4.731 3.183 1.00 0.00 H new ATOM 1029 N ASN A 72 9.792 4.808 -4.337 1.00 0.00 N ATOM 1030 CA ASN A 72 9.906 5.229 -5.729 1.00 0.00 C ATOM 1031 C ASN A 72 8.531 5.506 -6.329 1.00 0.00 C ATOM 1032 O ASN A 72 7.757 4.584 -6.583 1.00 0.00 O ATOM 1033 CB ASN A 72 10.626 4.157 -6.550 1.00 0.00 C ATOM 1034 CG ASN A 72 12.135 4.240 -6.413 1.00 0.00 C ATOM 1035 OD1 ASN A 72 12.661 5.152 -5.776 1.00 0.00 O ATOM 1036 ND2 ASN A 72 12.837 3.286 -7.013 1.00 0.00 N ATOM 0 H ASN A 72 9.507 3.837 -4.212 1.00 0.00 H new ATOM 0 HA ASN A 72 10.487 6.151 -5.757 1.00 0.00 H new ATOM 0 HB2 ASN A 72 10.289 3.171 -6.231 1.00 0.00 H new ATOM 0 HB3 ASN A 72 10.353 4.263 -7.600 1.00 0.00 H new ATOM 0 HD21 ASN A 72 13.855 3.290 -6.956 1.00 0.00 H new ATOM 0 HD22 ASN A 72 12.358 2.549 -7.531 1.00 0.00 H new ATOM 1043 N SER A 73 8.235 6.782 -6.552 1.00 0.00 N ATOM 1044 CA SER A 73 6.952 7.181 -7.119 1.00 0.00 C ATOM 1045 C SER A 73 6.943 6.988 -8.632 1.00 0.00 C ATOM 1046 O SER A 73 6.009 7.404 -9.316 1.00 0.00 O ATOM 1047 CB SER A 73 6.653 8.643 -6.778 1.00 0.00 C ATOM 1048 OG SER A 73 5.512 9.106 -7.480 1.00 0.00 O ATOM 0 H SER A 73 8.866 7.557 -6.349 1.00 0.00 H new ATOM 0 HA SER A 73 6.178 6.548 -6.685 1.00 0.00 H new ATOM 0 HB2 SER A 73 6.490 8.744 -5.705 1.00 0.00 H new ATOM 0 HB3 SER A 73 7.514 9.262 -7.029 1.00 0.00 H new ATOM 0 HG SER A 73 5.379 8.561 -8.284 1.00 0.00 H new ATOM 1054 N GLU A 74 7.992 6.354 -9.148 1.00 0.00 N ATOM 1055 CA GLU A 74 8.106 6.106 -10.580 1.00 0.00 C ATOM 1056 C GLU A 74 8.505 4.659 -10.852 1.00 0.00 C ATOM 1057 O GLU A 74 9.438 4.135 -10.244 1.00 0.00 O ATOM 1058 CB GLU A 74 9.129 7.056 -11.205 1.00 0.00 C ATOM 1059 CG GLU A 74 8.790 8.525 -11.019 1.00 0.00 C ATOM 1060 CD GLU A 74 9.599 9.430 -11.930 1.00 0.00 C ATOM 1061 OE1 GLU A 74 9.393 9.368 -13.160 1.00 0.00 O ATOM 1062 OE2 GLU A 74 10.434 10.199 -11.412 1.00 0.00 O ATOM 0 H GLU A 74 8.774 6.003 -8.595 1.00 0.00 H new ATOM 0 HA GLU A 74 7.131 6.286 -11.032 1.00 0.00 H new ATOM 0 HB2 GLU A 74 10.108 6.860 -10.768 1.00 0.00 H new ATOM 0 HB3 GLU A 74 9.207 6.842 -12.271 1.00 0.00 H new ATOM 0 HG2 GLU A 74 7.728 8.676 -11.212 1.00 0.00 H new ATOM 0 HG3 GLU A 74 8.968 8.807 -9.981 1.00 0.00 H new ATOM 1069 N LYS A 75 7.790 4.016 -11.770 1.00 0.00 N ATOM 1070 CA LYS A 75 8.069 2.630 -12.125 1.00 0.00 C ATOM 1071 C LYS A 75 9.531 2.452 -12.520 1.00 0.00 C ATOM 1072 O LYS A 75 9.816 1.705 -13.455 1.00 0.00 O ATOM 1073 CB LYS A 75 7.161 2.183 -13.273 1.00 0.00 C ATOM 1074 CG LYS A 75 5.823 1.636 -12.813 1.00 0.00 C ATOM 1075 CD LYS A 75 5.891 0.141 -12.549 1.00 0.00 C ATOM 1076 CE LYS A 75 4.540 -0.525 -12.763 1.00 0.00 C ATOM 1077 NZ LYS A 75 3.448 0.192 -12.049 1.00 0.00 N ATOM 0 H LYS A 75 7.013 4.434 -12.282 1.00 0.00 H new ATOM 0 HA LYS A 75 7.870 2.011 -11.250 1.00 0.00 H new ATOM 0 HB2 LYS A 75 6.989 3.029 -13.939 1.00 0.00 H new ATOM 0 HB3 LYS A 75 7.676 1.419 -13.855 1.00 0.00 H new ATOM 0 HG2 LYS A 75 5.511 2.153 -11.905 1.00 0.00 H new ATOM 0 HG3 LYS A 75 5.066 1.838 -13.571 1.00 0.00 H new ATOM 0 HD2 LYS A 75 6.630 -0.313 -13.209 1.00 0.00 H new ATOM 0 HD3 LYS A 75 6.226 -0.034 -11.527 1.00 0.00 H new ATOM 0 HE2 LYS A 75 4.316 -0.558 -13.829 1.00 0.00 H new ATOM 0 HE3 LYS A 75 4.585 -1.557 -12.415 1.00 0.00 H new ATOM 0 HZ1 LYS A 75 2.821 -0.499 -11.590 1.00 0.00 H new ATOM 0 HZ2 LYS A 75 3.858 0.820 -11.328 1.00 0.00 H new ATOM 0 HZ3 LYS A 75 2.901 0.757 -12.729 1.00 0.00 H new TER 1091 LYS A 75 HETATM 1092 ZN ZN A 201 8.389 2.044 -0.544 1.00 0.00 ZN HETATM 1093 ZN ZN A 401 15.229 -8.852 0.082 1.00 0.00 ZN