USER MOD reduce.3.24.130724 H: found=0, std=0, add=368, rem=0, adj=20 USER MOD reduce.3.24.130724 removed 366 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 46 ASN : amide:sc= -0.0768 K(o=-0.077,f=-1.2!) USER MOD Set 1.2: A 47 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 1 GLY N :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 2 SER OG : rot 180:sc= 0 USER MOD Single : A 3 SER OG : rot 180:sc= 0 USER MOD Single : A 5 SER OG : rot 8:sc= 0.782 USER MOD Single : A 6 SER OG : rot 180:sc= 0 USER MOD Single : A 8 SER OG : rot 180:sc= 0 USER MOD Single : A 9 SER OG : rot 15:sc= 0.0912 USER MOD Single : A 10 SER OG : rot 180:sc= 0 USER MOD Single : A 11 SER OG : rot 180:sc= 0 USER MOD Single : A 12 CYS SG : rot 180:sc= 0.00386 USER MOD Single : A 13 THR OG1 : rot 180:sc= -0.0353 USER MOD Single : A 15 THR OG1 : rot 180:sc= 0 USER MOD Single : A 16 THR OG1 : rot 36:sc= 0.18 USER MOD Single : A 18 THR OG1 : rot 180:sc= 0 USER MOD Single : A 24 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 26 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 31 SER OG : rot -58:sc= 0.246 USER MOD Single : A 35 SER OG : rot 180:sc= 0 USER MOD Single : A 38 CYS SG : rot 180:sc= 0 USER MOD Single : A 40 SER OG : rot 180:sc= 0 USER MOD Single : A 41 ASN : amide:sc= -1.04 K(o=-1,f=-2.5) USER MOD Single : A 42 ASN : amide:sc= -0.0985 K(o=-0.099,f=-2!) USER MOD Single : A 50 SER OG : rot -160:sc= 0 USER MOD Single : A 52 MET CE :methyl -179:sc= 0 (180deg=-0.000289) USER MOD Single : A 53 SER OG : rot -98:sc= 1.2 USER MOD Single : A 55 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD ----------------------------------------------------------------- ATOM 1 N GLY A 1 23.160 34.093 -45.327 1.00 0.00 N ATOM 2 CA GLY A 1 23.700 32.931 -44.645 1.00 0.00 C ATOM 3 C GLY A 1 22.625 31.936 -44.255 1.00 0.00 C ATOM 4 O GLY A 1 21.980 32.085 -43.217 1.00 0.00 O ATOM 0 H1 GLY A 1 23.934 34.742 -45.572 1.00 0.00 H new ATOM 0 H2 GLY A 1 22.673 33.791 -46.195 1.00 0.00 H new ATOM 0 H3 GLY A 1 22.485 34.579 -44.703 1.00 0.00 H new ATOM 0 HA2 GLY A 1 24.428 32.440 -45.291 1.00 0.00 H new ATOM 0 HA3 GLY A 1 24.234 33.254 -43.751 1.00 0.00 H new ATOM 8 N SER A 2 22.432 30.919 -45.088 1.00 0.00 N ATOM 9 CA SER A 2 21.423 29.898 -44.828 1.00 0.00 C ATOM 10 C SER A 2 22.073 28.534 -44.618 1.00 0.00 C ATOM 11 O SER A 2 23.112 28.232 -45.205 1.00 0.00 O ATOM 12 CB SER A 2 20.427 29.828 -45.986 1.00 0.00 C ATOM 13 OG SER A 2 21.091 29.610 -47.218 1.00 0.00 O ATOM 0 H SER A 2 22.961 30.780 -45.949 1.00 0.00 H new ATOM 0 HA SER A 2 20.891 30.172 -43.917 1.00 0.00 H new ATOM 0 HB2 SER A 2 19.713 29.024 -45.807 1.00 0.00 H new ATOM 0 HB3 SER A 2 19.857 30.756 -46.036 1.00 0.00 H new ATOM 0 HG SER A 2 20.432 29.568 -47.942 1.00 0.00 H new ATOM 19 N SER A 3 21.453 27.714 -43.775 1.00 0.00 N ATOM 20 CA SER A 3 21.972 26.382 -43.484 1.00 0.00 C ATOM 21 C SER A 3 20.845 25.355 -43.452 1.00 0.00 C ATOM 22 O SER A 3 19.670 25.709 -43.363 1.00 0.00 O ATOM 23 CB SER A 3 22.715 26.383 -42.146 1.00 0.00 C ATOM 24 OG SER A 3 21.839 26.697 -41.077 1.00 0.00 O ATOM 0 H SER A 3 20.591 27.948 -43.282 1.00 0.00 H new ATOM 0 HA SER A 3 22.667 26.108 -44.278 1.00 0.00 H new ATOM 0 HB2 SER A 3 23.166 25.405 -41.976 1.00 0.00 H new ATOM 0 HB3 SER A 3 23.529 27.108 -42.179 1.00 0.00 H new ATOM 0 HG SER A 3 22.337 26.690 -40.233 1.00 0.00 H new ATOM 30 N GLY A 4 21.213 24.079 -43.525 1.00 0.00 N ATOM 31 CA GLY A 4 20.222 23.019 -43.503 1.00 0.00 C ATOM 32 C GLY A 4 20.794 21.682 -43.931 1.00 0.00 C ATOM 33 O GLY A 4 20.474 21.178 -45.007 1.00 0.00 O ATOM 0 H GLY A 4 22.179 23.761 -43.599 1.00 0.00 H new ATOM 0 HA2 GLY A 4 19.812 22.930 -42.497 1.00 0.00 H new ATOM 0 HA3 GLY A 4 19.395 23.285 -44.162 1.00 0.00 H new ATOM 37 N SER A 5 21.644 21.107 -43.086 1.00 0.00 N ATOM 38 CA SER A 5 22.266 19.822 -43.385 1.00 0.00 C ATOM 39 C SER A 5 21.501 18.681 -42.723 1.00 0.00 C ATOM 40 O SER A 5 21.346 18.647 -41.503 1.00 0.00 O ATOM 41 CB SER A 5 23.722 19.816 -42.914 1.00 0.00 C ATOM 42 OG SER A 5 23.803 19.641 -41.510 1.00 0.00 O ATOM 0 H SER A 5 21.918 21.510 -42.190 1.00 0.00 H new ATOM 0 HA SER A 5 22.239 19.675 -44.465 1.00 0.00 H new ATOM 0 HB2 SER A 5 24.266 19.016 -43.415 1.00 0.00 H new ATOM 0 HB3 SER A 5 24.202 20.753 -43.195 1.00 0.00 H new ATOM 0 HG SER A 5 22.913 19.439 -41.154 1.00 0.00 H new ATOM 48 N SER A 6 21.023 17.746 -43.539 1.00 0.00 N ATOM 49 CA SER A 6 20.270 16.604 -43.035 1.00 0.00 C ATOM 50 C SER A 6 20.655 15.328 -43.778 1.00 0.00 C ATOM 51 O SER A 6 21.228 15.379 -44.866 1.00 0.00 O ATOM 52 CB SER A 6 18.767 16.855 -43.175 1.00 0.00 C ATOM 53 OG SER A 6 18.432 17.221 -44.502 1.00 0.00 O ATOM 0 H SER A 6 21.144 17.757 -44.552 1.00 0.00 H new ATOM 0 HA SER A 6 20.514 16.477 -41.980 1.00 0.00 H new ATOM 0 HB2 SER A 6 18.217 15.957 -42.892 1.00 0.00 H new ATOM 0 HB3 SER A 6 18.462 17.645 -42.489 1.00 0.00 H new ATOM 0 HG SER A 6 17.466 17.374 -44.565 1.00 0.00 H new ATOM 59 N GLY A 7 20.334 14.184 -43.182 1.00 0.00 N ATOM 60 CA GLY A 7 20.654 12.910 -43.801 1.00 0.00 C ATOM 61 C GLY A 7 21.841 12.230 -43.148 1.00 0.00 C ATOM 62 O GLY A 7 21.681 11.467 -42.196 1.00 0.00 O ATOM 0 H GLY A 7 19.858 14.116 -42.282 1.00 0.00 H new ATOM 0 HA2 GLY A 7 19.786 12.253 -43.743 1.00 0.00 H new ATOM 0 HA3 GLY A 7 20.865 13.066 -44.859 1.00 0.00 H new ATOM 66 N SER A 8 23.035 12.506 -43.663 1.00 0.00 N ATOM 67 CA SER A 8 24.254 11.911 -43.127 1.00 0.00 C ATOM 68 C SER A 8 24.464 12.320 -41.672 1.00 0.00 C ATOM 69 O SER A 8 24.233 13.470 -41.299 1.00 0.00 O ATOM 70 CB SER A 8 25.463 12.331 -43.966 1.00 0.00 C ATOM 71 OG SER A 8 25.526 11.592 -45.174 1.00 0.00 O ATOM 0 H SER A 8 23.184 13.137 -44.450 1.00 0.00 H new ATOM 0 HA SER A 8 24.149 10.827 -43.170 1.00 0.00 H new ATOM 0 HB2 SER A 8 25.402 13.396 -44.190 1.00 0.00 H new ATOM 0 HB3 SER A 8 26.378 12.178 -43.394 1.00 0.00 H new ATOM 0 HG SER A 8 26.306 11.880 -45.693 1.00 0.00 H new ATOM 77 N SER A 9 24.904 11.368 -40.855 1.00 0.00 N ATOM 78 CA SER A 9 25.142 11.626 -39.439 1.00 0.00 C ATOM 79 C SER A 9 26.311 10.793 -38.924 1.00 0.00 C ATOM 80 O SER A 9 26.383 9.588 -39.165 1.00 0.00 O ATOM 81 CB SER A 9 23.884 11.319 -38.624 1.00 0.00 C ATOM 82 OG SER A 9 23.603 9.930 -38.624 1.00 0.00 O ATOM 0 H SER A 9 25.103 10.412 -41.149 1.00 0.00 H new ATOM 0 HA SER A 9 25.392 12.681 -39.325 1.00 0.00 H new ATOM 0 HB2 SER A 9 24.017 11.666 -37.599 1.00 0.00 H new ATOM 0 HB3 SER A 9 23.036 11.865 -39.038 1.00 0.00 H new ATOM 0 HG SER A 9 24.389 9.437 -38.941 1.00 0.00 H new ATOM 88 N SER A 10 27.227 11.445 -38.214 1.00 0.00 N ATOM 89 CA SER A 10 28.396 10.766 -37.668 1.00 0.00 C ATOM 90 C SER A 10 28.014 9.909 -36.465 1.00 0.00 C ATOM 91 O SER A 10 28.195 8.691 -36.474 1.00 0.00 O ATOM 92 CB SER A 10 29.461 11.787 -37.263 1.00 0.00 C ATOM 93 OG SER A 10 30.563 11.153 -36.636 1.00 0.00 O ATOM 0 H SER A 10 27.182 12.442 -38.004 1.00 0.00 H new ATOM 0 HA SER A 10 28.802 10.115 -38.442 1.00 0.00 H new ATOM 0 HB2 SER A 10 29.803 12.330 -38.144 1.00 0.00 H new ATOM 0 HB3 SER A 10 29.026 12.522 -36.585 1.00 0.00 H new ATOM 0 HG SER A 10 31.230 11.827 -36.388 1.00 0.00 H new ATOM 99 N SER A 11 27.483 10.553 -35.431 1.00 0.00 N ATOM 100 CA SER A 11 27.078 9.852 -34.219 1.00 0.00 C ATOM 101 C SER A 11 25.693 9.236 -34.385 1.00 0.00 C ATOM 102 O SER A 11 24.940 9.607 -35.286 1.00 0.00 O ATOM 103 CB SER A 11 27.084 10.808 -33.025 1.00 0.00 C ATOM 104 OG SER A 11 27.198 10.099 -31.803 1.00 0.00 O ATOM 0 H SER A 11 27.323 11.560 -35.409 1.00 0.00 H new ATOM 0 HA SER A 11 27.794 9.050 -34.036 1.00 0.00 H new ATOM 0 HB2 SER A 11 27.913 11.509 -33.121 1.00 0.00 H new ATOM 0 HB3 SER A 11 26.167 11.397 -33.023 1.00 0.00 H new ATOM 0 HG SER A 11 27.201 10.733 -31.056 1.00 0.00 H new ATOM 110 N CYS A 12 25.363 8.293 -33.509 1.00 0.00 N ATOM 111 CA CYS A 12 24.068 7.623 -33.558 1.00 0.00 C ATOM 112 C CYS A 12 22.929 8.636 -33.493 1.00 0.00 C ATOM 113 O CYS A 12 23.024 9.650 -32.801 1.00 0.00 O ATOM 114 CB CYS A 12 23.944 6.623 -32.408 1.00 0.00 C ATOM 115 SG CYS A 12 25.215 5.337 -32.407 1.00 0.00 S ATOM 0 H CYS A 12 25.974 7.975 -32.757 1.00 0.00 H new ATOM 0 HA CYS A 12 23.999 7.087 -34.505 1.00 0.00 H new ATOM 0 HB2 CYS A 12 23.990 7.165 -31.463 1.00 0.00 H new ATOM 0 HB3 CYS A 12 22.963 6.150 -32.457 1.00 0.00 H new ATOM 0 HG CYS A 12 25.027 4.542 -31.396 1.00 0.00 H new ATOM 121 N THR A 13 21.852 8.355 -34.221 1.00 0.00 N ATOM 122 CA THR A 13 20.697 9.243 -34.249 1.00 0.00 C ATOM 123 C THR A 13 19.934 9.194 -32.929 1.00 0.00 C ATOM 124 O THR A 13 19.545 10.228 -32.387 1.00 0.00 O ATOM 125 CB THR A 13 19.737 8.879 -35.397 1.00 0.00 C ATOM 126 OG1 THR A 13 19.251 7.543 -35.225 1.00 0.00 O ATOM 127 CG2 THR A 13 20.433 9.001 -36.744 1.00 0.00 C ATOM 0 H THR A 13 21.756 7.520 -34.799 1.00 0.00 H new ATOM 0 HA THR A 13 21.077 10.252 -34.409 1.00 0.00 H new ATOM 0 HB THR A 13 18.899 9.576 -35.374 1.00 0.00 H new ATOM 0 HG1 THR A 13 18.640 7.320 -35.958 1.00 0.00 H new ATOM 0 HG21 THR A 13 19.735 8.739 -37.539 1.00 0.00 H new ATOM 0 HG22 THR A 13 20.776 10.026 -36.885 1.00 0.00 H new ATOM 0 HG23 THR A 13 21.288 8.325 -36.774 1.00 0.00 H new ATOM 135 N VAL A 14 19.725 7.985 -32.417 1.00 0.00 N ATOM 136 CA VAL A 14 19.010 7.802 -31.159 1.00 0.00 C ATOM 137 C VAL A 14 19.685 8.567 -30.027 1.00 0.00 C ATOM 138 O VAL A 14 20.884 8.844 -30.077 1.00 0.00 O ATOM 139 CB VAL A 14 18.922 6.312 -30.776 1.00 0.00 C ATOM 140 CG1 VAL A 14 18.141 5.536 -31.826 1.00 0.00 C ATOM 141 CG2 VAL A 14 20.313 5.726 -30.593 1.00 0.00 C ATOM 0 H VAL A 14 20.040 7.119 -32.853 1.00 0.00 H new ATOM 0 HA VAL A 14 18.003 8.192 -31.307 1.00 0.00 H new ATOM 0 HB VAL A 14 18.391 6.229 -29.828 1.00 0.00 H new ATOM 0 HG11 VAL A 14 18.089 4.486 -31.539 1.00 0.00 H new ATOM 0 HG12 VAL A 14 17.132 5.941 -31.902 1.00 0.00 H new ATOM 0 HG13 VAL A 14 18.641 5.624 -32.790 1.00 0.00 H new ATOM 0 HG21 VAL A 14 20.232 4.673 -30.323 1.00 0.00 H new ATOM 0 HG22 VAL A 14 20.873 5.820 -31.524 1.00 0.00 H new ATOM 0 HG23 VAL A 14 20.833 6.265 -29.801 1.00 0.00 H new ATOM 151 N THR A 15 18.908 8.907 -29.003 1.00 0.00 N ATOM 152 CA THR A 15 19.430 9.642 -27.858 1.00 0.00 C ATOM 153 C THR A 15 19.991 8.692 -26.806 1.00 0.00 C ATOM 154 O THR A 15 19.597 7.528 -26.731 1.00 0.00 O ATOM 155 CB THR A 15 18.343 10.521 -27.212 1.00 0.00 C ATOM 156 OG1 THR A 15 17.205 9.722 -26.868 1.00 0.00 O ATOM 157 CG2 THR A 15 17.918 11.637 -28.155 1.00 0.00 C ATOM 0 H THR A 15 17.914 8.685 -28.944 1.00 0.00 H new ATOM 0 HA THR A 15 20.230 10.282 -28.230 1.00 0.00 H new ATOM 0 HB THR A 15 18.759 10.968 -26.309 1.00 0.00 H new ATOM 0 HG1 THR A 15 16.520 10.289 -26.456 1.00 0.00 H new ATOM 0 HG21 THR A 15 17.150 12.244 -27.677 1.00 0.00 H new ATOM 0 HG22 THR A 15 18.780 12.262 -28.391 1.00 0.00 H new ATOM 0 HG23 THR A 15 17.520 11.205 -29.073 1.00 0.00 H new ATOM 165 N THR A 16 20.913 9.197 -25.992 1.00 0.00 N ATOM 166 CA THR A 16 21.529 8.393 -24.943 1.00 0.00 C ATOM 167 C THR A 16 21.021 8.804 -23.566 1.00 0.00 C ATOM 168 O THR A 16 21.142 9.962 -23.168 1.00 0.00 O ATOM 169 CB THR A 16 23.064 8.517 -24.969 1.00 0.00 C ATOM 170 OG1 THR A 16 23.446 9.896 -24.914 1.00 0.00 O ATOM 171 CG2 THR A 16 23.637 7.877 -26.225 1.00 0.00 C ATOM 0 H THR A 16 21.250 10.159 -26.039 1.00 0.00 H new ATOM 0 HA THR A 16 21.252 7.356 -25.135 1.00 0.00 H new ATOM 0 HB THR A 16 23.463 7.995 -24.099 1.00 0.00 H new ATOM 0 HG1 THR A 16 22.827 10.384 -24.331 1.00 0.00 H new ATOM 0 HG21 THR A 16 24.722 7.977 -26.221 1.00 0.00 H new ATOM 0 HG22 THR A 16 23.370 6.821 -26.249 1.00 0.00 H new ATOM 0 HG23 THR A 16 23.230 8.375 -27.105 1.00 0.00 H new ATOM 179 N GLY A 17 20.451 7.846 -22.840 1.00 0.00 N ATOM 180 CA GLY A 17 19.934 8.128 -21.514 1.00 0.00 C ATOM 181 C GLY A 17 19.001 7.044 -21.013 1.00 0.00 C ATOM 182 O GLY A 17 17.830 6.997 -21.392 1.00 0.00 O ATOM 0 H GLY A 17 20.338 6.880 -23.147 1.00 0.00 H new ATOM 0 HA2 GLY A 17 20.766 8.237 -20.819 1.00 0.00 H new ATOM 0 HA3 GLY A 17 19.404 9.081 -21.529 1.00 0.00 H new ATOM 186 N THR A 18 19.520 6.167 -20.159 1.00 0.00 N ATOM 187 CA THR A 18 18.727 5.076 -19.607 1.00 0.00 C ATOM 188 C THR A 18 17.803 5.572 -18.501 1.00 0.00 C ATOM 189 O THR A 18 16.639 5.177 -18.426 1.00 0.00 O ATOM 190 CB THR A 18 19.624 3.956 -19.047 1.00 0.00 C ATOM 191 OG1 THR A 18 20.505 4.487 -18.050 1.00 0.00 O ATOM 192 CG2 THR A 18 20.438 3.309 -20.158 1.00 0.00 C ATOM 0 H THR A 18 20.487 6.191 -19.835 1.00 0.00 H new ATOM 0 HA THR A 18 18.128 4.676 -20.425 1.00 0.00 H new ATOM 0 HB THR A 18 18.983 3.197 -18.598 1.00 0.00 H new ATOM 0 HG1 THR A 18 21.071 3.769 -17.697 1.00 0.00 H new ATOM 0 HG21 THR A 18 21.064 2.521 -19.739 1.00 0.00 H new ATOM 0 HG22 THR A 18 19.765 2.881 -20.901 1.00 0.00 H new ATOM 0 HG23 THR A 18 21.070 4.061 -20.631 1.00 0.00 H new ATOM 200 N LEU A 19 18.328 6.441 -17.644 1.00 0.00 N ATOM 201 CA LEU A 19 17.549 6.993 -16.541 1.00 0.00 C ATOM 202 C LEU A 19 17.008 8.374 -16.894 1.00 0.00 C ATOM 203 O LEU A 19 17.562 9.071 -17.743 1.00 0.00 O ATOM 204 CB LEU A 19 18.407 7.077 -15.277 1.00 0.00 C ATOM 205 CG LEU A 19 18.785 5.743 -14.632 1.00 0.00 C ATOM 206 CD1 LEU A 19 19.860 5.946 -13.576 1.00 0.00 C ATOM 207 CD2 LEU A 19 17.558 5.076 -14.027 1.00 0.00 C ATOM 0 H LEU A 19 19.289 6.778 -17.692 1.00 0.00 H new ATOM 0 HA LEU A 19 16.705 6.329 -16.357 1.00 0.00 H new ATOM 0 HB2 LEU A 19 19.324 7.613 -15.520 1.00 0.00 H new ATOM 0 HB3 LEU A 19 17.874 7.676 -14.539 1.00 0.00 H new ATOM 0 HG LEU A 19 19.185 5.088 -15.406 1.00 0.00 H new ATOM 0 HD11 LEU A 19 20.116 4.986 -13.128 1.00 0.00 H new ATOM 0 HD12 LEU A 19 20.747 6.379 -14.038 1.00 0.00 H new ATOM 0 HD13 LEU A 19 19.489 6.619 -12.803 1.00 0.00 H new ATOM 0 HD21 LEU A 19 17.846 4.128 -13.573 1.00 0.00 H new ATOM 0 HD22 LEU A 19 17.128 5.727 -13.266 1.00 0.00 H new ATOM 0 HD23 LEU A 19 16.820 4.894 -14.808 1.00 0.00 H new ATOM 219 N GLY A 20 15.921 8.765 -16.234 1.00 0.00 N ATOM 220 CA GLY A 20 15.324 10.063 -16.491 1.00 0.00 C ATOM 221 C GLY A 20 15.206 10.905 -15.237 1.00 0.00 C ATOM 222 O GLY A 20 14.373 10.632 -14.373 1.00 0.00 O ATOM 0 H GLY A 20 15.444 8.206 -15.527 1.00 0.00 H new ATOM 0 HA2 GLY A 20 15.925 10.596 -17.228 1.00 0.00 H new ATOM 0 HA3 GLY A 20 14.334 9.925 -16.926 1.00 0.00 H new ATOM 226 N PHE A 21 16.044 11.932 -15.134 1.00 0.00 N ATOM 227 CA PHE A 21 16.032 12.816 -13.974 1.00 0.00 C ATOM 228 C PHE A 21 14.607 13.041 -13.477 1.00 0.00 C ATOM 229 O PHE A 21 14.332 12.944 -12.282 1.00 0.00 O ATOM 230 CB PHE A 21 16.680 14.157 -14.322 1.00 0.00 C ATOM 231 CG PHE A 21 16.023 14.860 -15.476 1.00 0.00 C ATOM 232 CD1 PHE A 21 16.271 14.461 -16.779 1.00 0.00 C ATOM 233 CD2 PHE A 21 15.158 15.919 -15.257 1.00 0.00 C ATOM 234 CE1 PHE A 21 15.668 15.105 -17.843 1.00 0.00 C ATOM 235 CE2 PHE A 21 14.551 16.567 -16.317 1.00 0.00 C ATOM 236 CZ PHE A 21 14.807 16.160 -17.611 1.00 0.00 C ATOM 0 H PHE A 21 16.740 12.172 -15.840 1.00 0.00 H new ATOM 0 HA PHE A 21 16.605 12.339 -13.179 1.00 0.00 H new ATOM 0 HB2 PHE A 21 16.647 14.805 -13.446 1.00 0.00 H new ATOM 0 HB3 PHE A 21 17.731 13.993 -14.558 1.00 0.00 H new ATOM 0 HD1 PHE A 21 16.944 13.637 -16.966 1.00 0.00 H new ATOM 0 HD2 PHE A 21 14.955 16.242 -14.247 1.00 0.00 H new ATOM 0 HE1 PHE A 21 15.870 14.784 -18.854 1.00 0.00 H new ATOM 0 HE2 PHE A 21 13.877 17.391 -16.133 1.00 0.00 H new ATOM 0 HZ PHE A 21 14.335 16.666 -18.440 1.00 0.00 H new ATOM 246 N GLY A 22 13.703 13.342 -14.405 1.00 0.00 N ATOM 247 CA GLY A 22 12.317 13.577 -14.042 1.00 0.00 C ATOM 248 C GLY A 22 11.766 12.499 -13.129 1.00 0.00 C ATOM 249 O GLY A 22 11.950 11.308 -13.383 1.00 0.00 O ATOM 0 H GLY A 22 13.906 13.427 -15.401 1.00 0.00 H new ATOM 0 HA2 GLY A 22 12.233 14.545 -13.548 1.00 0.00 H new ATOM 0 HA3 GLY A 22 11.711 13.627 -14.947 1.00 0.00 H new ATOM 253 N ASP A 23 11.091 12.916 -12.065 1.00 0.00 N ATOM 254 CA ASP A 23 10.511 11.978 -11.110 1.00 0.00 C ATOM 255 C ASP A 23 9.403 11.156 -11.761 1.00 0.00 C ATOM 256 O ASP A 23 9.376 9.930 -11.648 1.00 0.00 O ATOM 257 CB ASP A 23 9.962 12.727 -9.895 1.00 0.00 C ATOM 258 CG ASP A 23 11.046 13.455 -9.125 1.00 0.00 C ATOM 259 OD1 ASP A 23 11.642 14.397 -9.687 1.00 0.00 O ATOM 260 OD2 ASP A 23 11.298 13.082 -7.960 1.00 0.00 O ATOM 0 H ASP A 23 10.931 13.898 -11.841 1.00 0.00 H new ATOM 0 HA ASP A 23 11.298 11.299 -10.782 1.00 0.00 H new ATOM 0 HB2 ASP A 23 9.210 13.444 -10.223 1.00 0.00 H new ATOM 0 HB3 ASP A 23 9.461 12.021 -9.232 1.00 0.00 H new ATOM 265 N LYS A 24 8.489 11.840 -12.442 1.00 0.00 N ATOM 266 CA LYS A 24 7.377 11.174 -13.111 1.00 0.00 C ATOM 267 C LYS A 24 7.341 11.534 -14.593 1.00 0.00 C ATOM 268 O LYS A 24 7.587 12.680 -14.970 1.00 0.00 O ATOM 269 CB LYS A 24 6.052 11.560 -12.450 1.00 0.00 C ATOM 270 CG LYS A 24 4.830 11.172 -13.264 1.00 0.00 C ATOM 271 CD LYS A 24 4.417 12.284 -14.213 1.00 0.00 C ATOM 272 CE LYS A 24 3.686 13.399 -13.481 1.00 0.00 C ATOM 273 NZ LYS A 24 2.994 14.321 -14.424 1.00 0.00 N ATOM 0 H LYS A 24 8.496 12.855 -12.545 1.00 0.00 H new ATOM 0 HA LYS A 24 7.522 10.098 -13.019 1.00 0.00 H new ATOM 0 HB2 LYS A 24 5.992 11.084 -11.471 1.00 0.00 H new ATOM 0 HB3 LYS A 24 6.039 12.637 -12.282 1.00 0.00 H new ATOM 0 HG2 LYS A 24 5.043 10.267 -13.833 1.00 0.00 H new ATOM 0 HG3 LYS A 24 4.003 10.939 -12.593 1.00 0.00 H new ATOM 0 HD2 LYS A 24 5.300 12.689 -14.706 1.00 0.00 H new ATOM 0 HD3 LYS A 24 3.774 11.877 -14.994 1.00 0.00 H new ATOM 0 HE2 LYS A 24 2.957 12.967 -12.795 1.00 0.00 H new ATOM 0 HE3 LYS A 24 4.396 13.963 -12.877 1.00 0.00 H new ATOM 0 HZ1 LYS A 24 2.508 15.067 -13.886 1.00 0.00 H new ATOM 0 HZ2 LYS A 24 3.692 14.753 -15.062 1.00 0.00 H new ATOM 0 HZ3 LYS A 24 2.298 13.788 -14.983 1.00 0.00 H new ATOM 287 N PHE A 25 7.031 10.548 -15.429 1.00 0.00 N ATOM 288 CA PHE A 25 6.962 10.761 -16.870 1.00 0.00 C ATOM 289 C PHE A 25 5.863 9.906 -17.494 1.00 0.00 C ATOM 290 O PHE A 25 6.025 8.699 -17.671 1.00 0.00 O ATOM 291 CB PHE A 25 8.308 10.436 -17.520 1.00 0.00 C ATOM 292 CG PHE A 25 8.203 10.094 -18.979 1.00 0.00 C ATOM 293 CD1 PHE A 25 7.609 10.975 -19.869 1.00 0.00 C ATOM 294 CD2 PHE A 25 8.697 8.893 -19.460 1.00 0.00 C ATOM 295 CE1 PHE A 25 7.510 10.663 -21.212 1.00 0.00 C ATOM 296 CE2 PHE A 25 8.601 8.575 -20.802 1.00 0.00 C ATOM 297 CZ PHE A 25 8.008 9.462 -21.679 1.00 0.00 C ATOM 0 H PHE A 25 6.824 9.594 -15.133 1.00 0.00 H new ATOM 0 HA PHE A 25 6.726 11.810 -17.046 1.00 0.00 H new ATOM 0 HB2 PHE A 25 8.975 11.290 -17.402 1.00 0.00 H new ATOM 0 HB3 PHE A 25 8.765 9.600 -16.991 1.00 0.00 H new ATOM 0 HD1 PHE A 25 7.219 11.916 -19.509 1.00 0.00 H new ATOM 0 HD2 PHE A 25 9.163 8.196 -18.779 1.00 0.00 H new ATOM 0 HE1 PHE A 25 7.044 11.357 -21.895 1.00 0.00 H new ATOM 0 HE2 PHE A 25 8.989 7.634 -21.164 1.00 0.00 H new ATOM 0 HZ PHE A 25 7.934 9.217 -22.728 1.00 0.00 H new ATOM 307 N LYS A 26 4.744 10.541 -17.826 1.00 0.00 N ATOM 308 CA LYS A 26 3.617 9.842 -18.431 1.00 0.00 C ATOM 309 C LYS A 26 3.223 8.624 -17.600 1.00 0.00 C ATOM 310 O LYS A 26 2.915 7.564 -18.144 1.00 0.00 O ATOM 311 CB LYS A 26 3.966 9.408 -19.857 1.00 0.00 C ATOM 312 CG LYS A 26 2.753 9.034 -20.692 1.00 0.00 C ATOM 313 CD LYS A 26 3.140 8.728 -22.129 1.00 0.00 C ATOM 314 CE LYS A 26 3.599 7.286 -22.288 1.00 0.00 C ATOM 315 NZ LYS A 26 3.516 6.830 -23.703 1.00 0.00 N ATOM 0 H LYS A 26 4.594 11.540 -17.686 1.00 0.00 H new ATOM 0 HA LYS A 26 2.770 10.528 -18.463 1.00 0.00 H new ATOM 0 HB2 LYS A 26 4.503 10.217 -20.353 1.00 0.00 H new ATOM 0 HB3 LYS A 26 4.644 8.555 -19.813 1.00 0.00 H new ATOM 0 HG2 LYS A 26 2.262 8.165 -20.253 1.00 0.00 H new ATOM 0 HG3 LYS A 26 2.032 9.851 -20.674 1.00 0.00 H new ATOM 0 HD2 LYS A 26 2.289 8.914 -22.784 1.00 0.00 H new ATOM 0 HD3 LYS A 26 3.937 9.401 -22.443 1.00 0.00 H new ATOM 0 HE2 LYS A 26 4.626 7.191 -21.936 1.00 0.00 H new ATOM 0 HE3 LYS A 26 2.986 6.639 -21.661 1.00 0.00 H new ATOM 0 HZ1 LYS A 26 3.837 5.843 -23.769 1.00 0.00 H new ATOM 0 HZ2 LYS A 26 2.532 6.896 -24.032 1.00 0.00 H new ATOM 0 HZ3 LYS A 26 4.121 7.432 -24.298 1.00 0.00 H new ATOM 329 N ARG A 27 3.234 8.785 -16.281 1.00 0.00 N ATOM 330 CA ARG A 27 2.877 7.699 -15.376 1.00 0.00 C ATOM 331 C ARG A 27 2.279 8.244 -14.082 1.00 0.00 C ATOM 332 O ARG A 27 2.533 9.380 -13.682 1.00 0.00 O ATOM 333 CB ARG A 27 4.106 6.844 -15.062 1.00 0.00 C ATOM 334 CG ARG A 27 4.535 5.948 -16.213 1.00 0.00 C ATOM 335 CD ARG A 27 5.612 4.965 -15.782 1.00 0.00 C ATOM 336 NE ARG A 27 5.088 3.934 -14.890 1.00 0.00 N ATOM 337 CZ ARG A 27 5.049 4.057 -13.568 1.00 0.00 C ATOM 338 NH1 ARG A 27 5.500 5.161 -12.988 1.00 0.00 N ATOM 339 NH2 ARG A 27 4.557 3.075 -12.824 1.00 0.00 N ATOM 0 H ARG A 27 3.486 9.657 -15.815 1.00 0.00 H new ATOM 0 HA ARG A 27 2.128 7.079 -15.869 1.00 0.00 H new ATOM 0 HB2 ARG A 27 4.935 7.499 -14.794 1.00 0.00 H new ATOM 0 HB3 ARG A 27 3.894 6.225 -14.190 1.00 0.00 H new ATOM 0 HG2 ARG A 27 3.671 5.401 -16.591 1.00 0.00 H new ATOM 0 HG3 ARG A 27 4.908 6.561 -17.033 1.00 0.00 H new ATOM 0 HD2 ARG A 27 6.047 4.494 -16.664 1.00 0.00 H new ATOM 0 HD3 ARG A 27 6.415 5.505 -15.280 1.00 0.00 H new ATOM 0 HE ARG A 27 4.733 3.073 -15.305 1.00 0.00 H new ATOM 0 HH11 ARG A 27 5.878 5.918 -13.557 1.00 0.00 H new ATOM 0 HH12 ARG A 27 5.469 5.253 -11.973 1.00 0.00 H new ATOM 0 HH21 ARG A 27 4.208 2.225 -13.267 1.00 0.00 H new ATOM 0 HH22 ARG A 27 4.527 3.170 -11.809 1.00 0.00 H new ATOM 353 N PRO A 28 1.465 7.415 -13.412 1.00 0.00 N ATOM 354 CA PRO A 28 0.814 7.792 -12.153 1.00 0.00 C ATOM 355 C PRO A 28 1.806 7.909 -11.001 1.00 0.00 C ATOM 356 O PRO A 28 2.821 7.213 -10.969 1.00 0.00 O ATOM 357 CB PRO A 28 -0.164 6.642 -11.902 1.00 0.00 C ATOM 358 CG PRO A 28 0.426 5.478 -12.622 1.00 0.00 C ATOM 359 CD PRO A 28 1.118 6.046 -13.830 1.00 0.00 C ATOM 0 HA PRO A 28 0.336 8.770 -12.217 1.00 0.00 H new ATOM 0 HB2 PRO A 28 -0.269 6.437 -10.837 1.00 0.00 H new ATOM 0 HB3 PRO A 28 -1.159 6.879 -12.280 1.00 0.00 H new ATOM 0 HG2 PRO A 28 1.130 4.941 -11.986 1.00 0.00 H new ATOM 0 HG3 PRO A 28 -0.347 4.767 -12.913 1.00 0.00 H new ATOM 0 HD2 PRO A 28 2.005 5.469 -14.093 1.00 0.00 H new ATOM 0 HD3 PRO A 28 0.466 6.046 -14.704 1.00 0.00 H new ATOM 367 N ILE A 29 1.505 8.793 -10.055 1.00 0.00 N ATOM 368 CA ILE A 29 2.369 9.000 -8.900 1.00 0.00 C ATOM 369 C ILE A 29 1.657 8.620 -7.606 1.00 0.00 C ATOM 370 O ILE A 29 0.489 8.235 -7.618 1.00 0.00 O ATOM 371 CB ILE A 29 2.840 10.463 -8.804 1.00 0.00 C ATOM 372 CG1 ILE A 29 1.815 11.395 -9.453 1.00 0.00 C ATOM 373 CG2 ILE A 29 4.202 10.626 -9.461 1.00 0.00 C ATOM 374 CD1 ILE A 29 0.533 11.530 -8.660 1.00 0.00 C ATOM 0 H ILE A 29 0.669 9.377 -10.066 1.00 0.00 H new ATOM 0 HA ILE A 29 3.238 8.356 -9.036 1.00 0.00 H new ATOM 0 HB ILE A 29 2.932 10.731 -7.751 1.00 0.00 H new ATOM 0 HG12 ILE A 29 2.261 12.382 -9.578 1.00 0.00 H new ATOM 0 HG13 ILE A 29 1.578 11.024 -10.450 1.00 0.00 H new ATOM 0 HG21 ILE A 29 4.521 11.666 -9.385 1.00 0.00 H new ATOM 0 HG22 ILE A 29 4.927 9.986 -8.958 1.00 0.00 H new ATOM 0 HG23 ILE A 29 4.135 10.343 -10.512 1.00 0.00 H new ATOM 0 HD11 ILE A 29 -0.147 12.205 -9.180 1.00 0.00 H new ATOM 0 HD12 ILE A 29 0.064 10.551 -8.557 1.00 0.00 H new ATOM 0 HD13 ILE A 29 0.757 11.931 -7.671 1.00 0.00 H new ATOM 386 N GLY A 30 2.370 8.734 -6.489 1.00 0.00 N ATOM 387 CA GLY A 30 1.790 8.401 -5.202 1.00 0.00 C ATOM 388 C GLY A 30 1.099 7.052 -5.209 1.00 0.00 C ATOM 389 O GLY A 30 0.176 6.815 -4.429 1.00 0.00 O ATOM 0 H GLY A 30 3.339 9.051 -6.453 1.00 0.00 H new ATOM 0 HA2 GLY A 30 2.573 8.401 -4.443 1.00 0.00 H new ATOM 0 HA3 GLY A 30 1.073 9.172 -4.920 1.00 0.00 H new ATOM 393 N SER A 31 1.546 6.165 -6.092 1.00 0.00 N ATOM 394 CA SER A 31 0.961 4.833 -6.201 1.00 0.00 C ATOM 395 C SER A 31 2.006 3.757 -5.923 1.00 0.00 C ATOM 396 O SER A 31 3.183 3.921 -6.245 1.00 0.00 O ATOM 397 CB SER A 31 0.360 4.630 -7.593 1.00 0.00 C ATOM 398 OG SER A 31 -0.997 5.035 -7.627 1.00 0.00 O ATOM 0 H SER A 31 2.311 6.344 -6.742 1.00 0.00 H new ATOM 0 HA SER A 31 0.170 4.747 -5.456 1.00 0.00 H new ATOM 0 HB2 SER A 31 0.931 5.200 -8.326 1.00 0.00 H new ATOM 0 HB3 SER A 31 0.437 3.580 -7.876 1.00 0.00 H new ATOM 0 HG SER A 31 -1.508 4.524 -6.965 1.00 0.00 H new ATOM 404 N TRP A 32 1.566 2.656 -5.325 1.00 0.00 N ATOM 405 CA TRP A 32 2.462 1.551 -5.003 1.00 0.00 C ATOM 406 C TRP A 32 1.926 0.236 -5.557 1.00 0.00 C ATOM 407 O TRP A 32 0.820 -0.184 -5.221 1.00 0.00 O ATOM 408 CB TRP A 32 2.648 1.443 -3.488 1.00 0.00 C ATOM 409 CG TRP A 32 1.361 1.257 -2.744 1.00 0.00 C ATOM 410 CD1 TRP A 32 0.452 2.225 -2.423 1.00 0.00 C ATOM 411 CD2 TRP A 32 0.840 0.028 -2.226 1.00 0.00 C ATOM 412 NE1 TRP A 32 -0.602 1.672 -1.737 1.00 0.00 N ATOM 413 CE2 TRP A 32 -0.388 0.325 -1.604 1.00 0.00 C ATOM 414 CE3 TRP A 32 1.290 -1.295 -2.229 1.00 0.00 C ATOM 415 CZ2 TRP A 32 -1.168 -0.652 -0.991 1.00 0.00 C ATOM 416 CZ3 TRP A 32 0.516 -2.264 -1.620 1.00 0.00 C ATOM 417 CH2 TRP A 32 -0.702 -1.939 -1.008 1.00 0.00 C ATOM 0 H TRP A 32 0.595 2.504 -5.053 1.00 0.00 H new ATOM 0 HA TRP A 32 3.428 1.752 -5.467 1.00 0.00 H new ATOM 0 HB2 TRP A 32 3.310 0.605 -3.269 1.00 0.00 H new ATOM 0 HB3 TRP A 32 3.143 2.344 -3.125 1.00 0.00 H new ATOM 0 HD1 TRP A 32 0.548 3.272 -2.672 1.00 0.00 H new ATOM 0 HE1 TRP A 32 -1.412 2.181 -1.384 1.00 0.00 H new ATOM 0 HE3 TRP A 32 2.227 -1.556 -2.699 1.00 0.00 H new ATOM 0 HZ2 TRP A 32 -2.107 -0.403 -0.519 1.00 0.00 H new ATOM 0 HZ3 TRP A 32 0.855 -3.289 -1.616 1.00 0.00 H new ATOM 0 HH2 TRP A 32 -1.284 -2.719 -0.541 1.00 0.00 H new ATOM 428 N GLU A 33 2.718 -0.410 -6.408 1.00 0.00 N ATOM 429 CA GLU A 33 2.321 -1.677 -7.008 1.00 0.00 C ATOM 430 C GLU A 33 2.346 -2.800 -5.975 1.00 0.00 C ATOM 431 O GLU A 33 3.138 -2.775 -5.033 1.00 0.00 O ATOM 432 CB GLU A 33 3.244 -2.025 -8.178 1.00 0.00 C ATOM 433 CG GLU A 33 2.884 -3.328 -8.872 1.00 0.00 C ATOM 434 CD GLU A 33 3.569 -3.482 -10.216 1.00 0.00 C ATOM 435 OE1 GLU A 33 4.816 -3.535 -10.244 1.00 0.00 O ATOM 436 OE2 GLU A 33 2.857 -3.549 -11.240 1.00 0.00 O ATOM 0 H GLU A 33 3.638 -0.076 -6.697 1.00 0.00 H new ATOM 0 HA GLU A 33 1.302 -1.570 -7.379 1.00 0.00 H new ATOM 0 HB2 GLU A 33 3.214 -1.215 -8.907 1.00 0.00 H new ATOM 0 HB3 GLU A 33 4.270 -2.088 -7.814 1.00 0.00 H new ATOM 0 HG2 GLU A 33 3.159 -4.165 -8.230 1.00 0.00 H new ATOM 0 HG3 GLU A 33 1.804 -3.375 -9.011 1.00 0.00 H new ATOM 443 N CYS A 34 1.474 -3.786 -6.160 1.00 0.00 N ATOM 444 CA CYS A 34 1.393 -4.918 -5.245 1.00 0.00 C ATOM 445 C CYS A 34 2.360 -6.023 -5.661 1.00 0.00 C ATOM 446 O CYS A 34 2.982 -5.951 -6.721 1.00 0.00 O ATOM 447 CB CYS A 34 -0.035 -5.465 -5.201 1.00 0.00 C ATOM 448 SG CYS A 34 -0.496 -6.212 -3.605 1.00 0.00 S ATOM 0 H CYS A 34 0.813 -3.824 -6.936 1.00 0.00 H new ATOM 0 HA CYS A 34 1.672 -4.570 -4.250 1.00 0.00 H new ATOM 0 HB2 CYS A 34 -0.730 -4.656 -5.425 1.00 0.00 H new ATOM 0 HB3 CYS A 34 -0.151 -6.212 -5.987 1.00 0.00 H new ATOM 453 N SER A 35 2.480 -7.044 -4.819 1.00 0.00 N ATOM 454 CA SER A 35 3.373 -8.163 -5.097 1.00 0.00 C ATOM 455 C SER A 35 2.590 -9.467 -5.217 1.00 0.00 C ATOM 456 O SER A 35 2.936 -10.342 -6.011 1.00 0.00 O ATOM 457 CB SER A 35 4.427 -8.288 -3.995 1.00 0.00 C ATOM 458 OG SER A 35 5.316 -9.360 -4.258 1.00 0.00 O ATOM 0 H SER A 35 1.970 -7.120 -3.939 1.00 0.00 H new ATOM 0 HA SER A 35 3.871 -7.970 -6.047 1.00 0.00 H new ATOM 0 HB2 SER A 35 4.988 -7.357 -3.917 1.00 0.00 H new ATOM 0 HB3 SER A 35 3.936 -8.446 -3.035 1.00 0.00 H new ATOM 0 HG SER A 35 5.981 -9.418 -3.540 1.00 0.00 H new ATOM 464 N VAL A 36 1.532 -9.589 -4.423 1.00 0.00 N ATOM 465 CA VAL A 36 0.697 -10.784 -4.439 1.00 0.00 C ATOM 466 C VAL A 36 -0.236 -10.786 -5.645 1.00 0.00 C ATOM 467 O VAL A 36 -0.475 -11.828 -6.257 1.00 0.00 O ATOM 468 CB VAL A 36 -0.143 -10.901 -3.154 1.00 0.00 C ATOM 469 CG1 VAL A 36 0.743 -11.245 -1.966 1.00 0.00 C ATOM 470 CG2 VAL A 36 -0.910 -9.612 -2.901 1.00 0.00 C ATOM 0 H VAL A 36 1.232 -8.874 -3.760 1.00 0.00 H new ATOM 0 HA VAL A 36 1.370 -11.639 -4.502 1.00 0.00 H new ATOM 0 HB VAL A 36 -0.864 -11.708 -3.284 1.00 0.00 H new ATOM 0 HG11 VAL A 36 0.132 -11.323 -1.067 1.00 0.00 H new ATOM 0 HG12 VAL A 36 1.244 -12.196 -2.149 1.00 0.00 H new ATOM 0 HG13 VAL A 36 1.489 -10.462 -1.830 1.00 0.00 H new ATOM 0 HG21 VAL A 36 -1.499 -9.712 -1.989 1.00 0.00 H new ATOM 0 HG22 VAL A 36 -0.207 -8.786 -2.791 1.00 0.00 H new ATOM 0 HG23 VAL A 36 -1.575 -9.413 -3.742 1.00 0.00 H new ATOM 480 N CYS A 37 -0.761 -9.613 -5.982 1.00 0.00 N ATOM 481 CA CYS A 37 -1.669 -9.478 -7.114 1.00 0.00 C ATOM 482 C CYS A 37 -1.075 -8.562 -8.181 1.00 0.00 C ATOM 483 O CYS A 37 -1.524 -8.554 -9.328 1.00 0.00 O ATOM 484 CB CYS A 37 -3.020 -8.929 -6.650 1.00 0.00 C ATOM 485 SG CYS A 37 -2.982 -7.174 -6.163 1.00 0.00 S ATOM 0 H CYS A 37 -0.573 -8.741 -5.487 1.00 0.00 H new ATOM 0 HA CYS A 37 -1.817 -10.467 -7.549 1.00 0.00 H new ATOM 0 HB2 CYS A 37 -3.747 -9.057 -7.452 1.00 0.00 H new ATOM 0 HB3 CYS A 37 -3.370 -9.522 -5.805 1.00 0.00 H new ATOM 490 N CYS A 38 -0.065 -7.791 -7.794 1.00 0.00 N ATOM 491 CA CYS A 38 0.591 -6.870 -8.716 1.00 0.00 C ATOM 492 C CYS A 38 -0.404 -5.854 -9.268 1.00 0.00 C ATOM 493 O CYS A 38 -0.454 -5.610 -10.474 1.00 0.00 O ATOM 494 CB CYS A 38 1.240 -7.642 -9.866 1.00 0.00 C ATOM 495 SG CYS A 38 2.754 -8.517 -9.406 1.00 0.00 S ATOM 0 H CYS A 38 0.318 -7.785 -6.848 1.00 0.00 H new ATOM 0 HA CYS A 38 1.364 -6.334 -8.166 1.00 0.00 H new ATOM 0 HB2 CYS A 38 0.521 -8.362 -10.257 1.00 0.00 H new ATOM 0 HB3 CYS A 38 1.466 -6.947 -10.674 1.00 0.00 H new ATOM 0 HG CYS A 38 3.227 -9.141 -10.444 1.00 0.00 H new ATOM 501 N VAL A 39 -1.194 -5.264 -8.377 1.00 0.00 N ATOM 502 CA VAL A 39 -2.188 -4.274 -8.774 1.00 0.00 C ATOM 503 C VAL A 39 -1.884 -2.912 -8.159 1.00 0.00 C ATOM 504 O VAL A 39 -1.447 -2.822 -7.012 1.00 0.00 O ATOM 505 CB VAL A 39 -3.608 -4.706 -8.361 1.00 0.00 C ATOM 506 CG1 VAL A 39 -4.603 -3.583 -8.612 1.00 0.00 C ATOM 507 CG2 VAL A 39 -4.017 -5.968 -9.105 1.00 0.00 C ATOM 0 H VAL A 39 -1.165 -5.454 -7.375 1.00 0.00 H new ATOM 0 HA VAL A 39 -2.141 -4.198 -9.860 1.00 0.00 H new ATOM 0 HB VAL A 39 -3.607 -4.925 -7.293 1.00 0.00 H new ATOM 0 HG11 VAL A 39 -5.600 -3.907 -8.314 1.00 0.00 H new ATOM 0 HG12 VAL A 39 -4.317 -2.707 -8.030 1.00 0.00 H new ATOM 0 HG13 VAL A 39 -4.606 -3.329 -9.672 1.00 0.00 H new ATOM 0 HG21 VAL A 39 -5.023 -6.260 -8.802 1.00 0.00 H new ATOM 0 HG22 VAL A 39 -4.002 -5.778 -10.178 1.00 0.00 H new ATOM 0 HG23 VAL A 39 -3.320 -6.772 -8.869 1.00 0.00 H new ATOM 517 N SER A 40 -2.120 -1.855 -8.929 1.00 0.00 N ATOM 518 CA SER A 40 -1.868 -0.497 -8.461 1.00 0.00 C ATOM 519 C SER A 40 -2.855 -0.109 -7.364 1.00 0.00 C ATOM 520 O SER A 40 -4.003 -0.552 -7.361 1.00 0.00 O ATOM 521 CB SER A 40 -1.967 0.492 -9.624 1.00 0.00 C ATOM 522 OG SER A 40 -1.654 1.808 -9.202 1.00 0.00 O ATOM 0 H SER A 40 -2.485 -1.913 -9.880 1.00 0.00 H new ATOM 0 HA SER A 40 -0.860 -0.462 -8.048 1.00 0.00 H new ATOM 0 HB2 SER A 40 -1.287 0.191 -10.421 1.00 0.00 H new ATOM 0 HB3 SER A 40 -2.974 0.470 -10.040 1.00 0.00 H new ATOM 0 HG SER A 40 -1.723 2.421 -9.964 1.00 0.00 H new ATOM 528 N ASN A 41 -2.398 0.722 -6.432 1.00 0.00 N ATOM 529 CA ASN A 41 -3.239 1.170 -5.328 1.00 0.00 C ATOM 530 C ASN A 41 -2.864 2.585 -4.899 1.00 0.00 C ATOM 531 O ASN A 41 -1.885 3.152 -5.381 1.00 0.00 O ATOM 532 CB ASN A 41 -3.109 0.214 -4.141 1.00 0.00 C ATOM 533 CG ASN A 41 -3.313 -1.235 -4.540 1.00 0.00 C ATOM 534 OD1 ASN A 41 -4.378 -1.612 -5.029 1.00 0.00 O ATOM 535 ND2 ASN A 41 -2.289 -2.055 -4.332 1.00 0.00 N ATOM 0 H ASN A 41 -1.450 1.098 -6.420 1.00 0.00 H new ATOM 0 HA ASN A 41 -4.274 1.175 -5.670 1.00 0.00 H new ATOM 0 HB2 ASN A 41 -2.122 0.329 -3.692 1.00 0.00 H new ATOM 0 HB3 ASN A 41 -3.840 0.484 -3.379 1.00 0.00 H new ATOM 0 HD21 ASN A 41 -2.367 -3.041 -4.580 1.00 0.00 H new ATOM 0 HD22 ASN A 41 -1.425 -1.698 -3.924 1.00 0.00 H new ATOM 542 N ASN A 42 -3.652 3.149 -3.989 1.00 0.00 N ATOM 543 CA ASN A 42 -3.403 4.498 -3.494 1.00 0.00 C ATOM 544 C ASN A 42 -2.463 4.473 -2.293 1.00 0.00 C ATOM 545 O ASN A 42 -2.622 3.657 -1.385 1.00 0.00 O ATOM 546 CB ASN A 42 -4.721 5.174 -3.111 1.00 0.00 C ATOM 547 CG ASN A 42 -5.814 4.933 -4.134 1.00 0.00 C ATOM 548 OD1 ASN A 42 -6.324 3.820 -4.263 1.00 0.00 O ATOM 549 ND2 ASN A 42 -6.178 5.977 -4.868 1.00 0.00 N ATOM 0 H ASN A 42 -4.468 2.693 -3.580 1.00 0.00 H new ATOM 0 HA ASN A 42 -2.928 5.069 -4.292 1.00 0.00 H new ATOM 0 HB2 ASN A 42 -5.048 4.802 -2.140 1.00 0.00 H new ATOM 0 HB3 ASN A 42 -4.558 6.246 -3.003 1.00 0.00 H new ATOM 0 HD21 ASN A 42 -6.908 5.875 -5.573 1.00 0.00 H new ATOM 0 HD22 ASN A 42 -5.728 6.881 -4.727 1.00 0.00 H new ATOM 556 N ALA A 43 -1.485 5.373 -2.294 1.00 0.00 N ATOM 557 CA ALA A 43 -0.522 5.455 -1.204 1.00 0.00 C ATOM 558 C ALA A 43 -1.226 5.538 0.146 1.00 0.00 C ATOM 559 O ALA A 43 -0.909 4.787 1.068 1.00 0.00 O ATOM 560 CB ALA A 43 0.393 6.655 -1.398 1.00 0.00 C ATOM 0 H ALA A 43 -1.339 6.055 -3.038 1.00 0.00 H new ATOM 0 HA ALA A 43 0.080 4.546 -1.215 1.00 0.00 H new ATOM 0 HB1 ALA A 43 1.108 6.704 -0.576 1.00 0.00 H new ATOM 0 HB2 ALA A 43 0.930 6.554 -2.341 1.00 0.00 H new ATOM 0 HB3 ALA A 43 -0.203 7.568 -1.416 1.00 0.00 H new ATOM 566 N GLU A 44 -2.182 6.455 0.255 1.00 0.00 N ATOM 567 CA GLU A 44 -2.930 6.636 1.494 1.00 0.00 C ATOM 568 C GLU A 44 -3.406 5.294 2.042 1.00 0.00 C ATOM 569 O GLU A 44 -3.278 5.017 3.235 1.00 0.00 O ATOM 570 CB GLU A 44 -4.128 7.559 1.263 1.00 0.00 C ATOM 571 CG GLU A 44 -3.745 8.934 0.742 1.00 0.00 C ATOM 572 CD GLU A 44 -4.889 9.926 0.819 1.00 0.00 C ATOM 573 OE1 GLU A 44 -5.156 10.439 1.926 1.00 0.00 O ATOM 574 OE2 GLU A 44 -5.516 10.190 -0.228 1.00 0.00 O ATOM 0 H GLU A 44 -2.457 7.084 -0.499 1.00 0.00 H new ATOM 0 HA GLU A 44 -2.265 7.093 2.227 1.00 0.00 H new ATOM 0 HB2 GLU A 44 -4.808 7.087 0.554 1.00 0.00 H new ATOM 0 HB3 GLU A 44 -4.674 7.674 2.200 1.00 0.00 H new ATOM 0 HG2 GLU A 44 -2.900 9.314 1.317 1.00 0.00 H new ATOM 0 HG3 GLU A 44 -3.413 8.847 -0.293 1.00 0.00 H new ATOM 581 N ASP A 45 -3.957 4.464 1.163 1.00 0.00 N ATOM 582 CA ASP A 45 -4.453 3.150 1.557 1.00 0.00 C ATOM 583 C ASP A 45 -3.317 2.274 2.075 1.00 0.00 C ATOM 584 O ASP A 45 -2.390 1.942 1.337 1.00 0.00 O ATOM 585 CB ASP A 45 -5.143 2.467 0.376 1.00 0.00 C ATOM 586 CG ASP A 45 -6.603 2.858 0.253 1.00 0.00 C ATOM 587 OD1 ASP A 45 -6.897 4.071 0.299 1.00 0.00 O ATOM 588 OD2 ASP A 45 -7.451 1.952 0.111 1.00 0.00 O ATOM 0 H ASP A 45 -4.072 4.678 0.172 1.00 0.00 H new ATOM 0 HA ASP A 45 -5.177 3.287 2.360 1.00 0.00 H new ATOM 0 HB2 ASP A 45 -4.622 2.727 -0.545 1.00 0.00 H new ATOM 0 HB3 ASP A 45 -5.068 1.386 0.491 1.00 0.00 H new ATOM 593 N ASN A 46 -3.395 1.904 3.349 1.00 0.00 N ATOM 594 CA ASN A 46 -2.373 1.067 3.966 1.00 0.00 C ATOM 595 C ASN A 46 -2.578 -0.400 3.604 1.00 0.00 C ATOM 596 O ASN A 46 -1.919 -1.285 4.150 1.00 0.00 O ATOM 597 CB ASN A 46 -2.395 1.236 5.487 1.00 0.00 C ATOM 598 CG ASN A 46 -3.799 1.159 6.056 1.00 0.00 C ATOM 599 OD1 ASN A 46 -4.531 2.149 6.069 1.00 0.00 O ATOM 600 ND2 ASN A 46 -4.180 -0.021 6.532 1.00 0.00 N ATOM 0 H ASN A 46 -4.156 2.171 3.974 1.00 0.00 H new ATOM 0 HA ASN A 46 -1.402 1.384 3.585 1.00 0.00 H new ATOM 0 HB2 ASN A 46 -1.777 0.463 5.945 1.00 0.00 H new ATOM 0 HB3 ASN A 46 -1.951 2.196 5.750 1.00 0.00 H new ATOM 0 HD21 ASN A 46 -5.113 -0.134 6.929 1.00 0.00 H new ATOM 0 HD22 ASN A 46 -3.540 -0.814 6.501 1.00 0.00 H new ATOM 607 N LYS A 47 -3.498 -0.652 2.678 1.00 0.00 N ATOM 608 CA LYS A 47 -3.791 -2.011 2.239 1.00 0.00 C ATOM 609 C LYS A 47 -4.268 -2.025 0.790 1.00 0.00 C ATOM 610 O LYS A 47 -4.700 -1.001 0.259 1.00 0.00 O ATOM 611 CB LYS A 47 -4.852 -2.643 3.143 1.00 0.00 C ATOM 612 CG LYS A 47 -4.303 -3.142 4.468 1.00 0.00 C ATOM 613 CD LYS A 47 -5.329 -3.974 5.219 1.00 0.00 C ATOM 614 CE LYS A 47 -6.232 -3.102 6.078 1.00 0.00 C ATOM 615 NZ LYS A 47 -5.658 -2.875 7.433 1.00 0.00 N ATOM 0 H LYS A 47 -4.054 0.068 2.217 1.00 0.00 H new ATOM 0 HA LYS A 47 -2.872 -2.593 2.305 1.00 0.00 H new ATOM 0 HB2 LYS A 47 -5.635 -1.910 3.337 1.00 0.00 H new ATOM 0 HB3 LYS A 47 -5.318 -3.476 2.616 1.00 0.00 H new ATOM 0 HG2 LYS A 47 -3.409 -3.739 4.290 1.00 0.00 H new ATOM 0 HG3 LYS A 47 -4.003 -2.293 5.081 1.00 0.00 H new ATOM 0 HD2 LYS A 47 -5.934 -4.537 4.508 1.00 0.00 H new ATOM 0 HD3 LYS A 47 -4.818 -4.702 5.849 1.00 0.00 H new ATOM 0 HE2 LYS A 47 -6.387 -2.143 5.584 1.00 0.00 H new ATOM 0 HE3 LYS A 47 -7.210 -3.574 6.172 1.00 0.00 H new ATOM 0 HZ1 LYS A 47 -6.303 -2.276 7.987 1.00 0.00 H new ATOM 0 HZ2 LYS A 47 -5.533 -3.788 7.915 1.00 0.00 H new ATOM 0 HZ3 LYS A 47 -4.736 -2.401 7.345 1.00 0.00 H new ATOM 629 N CYS A 48 -4.189 -3.190 0.157 1.00 0.00 N ATOM 630 CA CYS A 48 -4.614 -3.337 -1.230 1.00 0.00 C ATOM 631 C CYS A 48 -6.136 -3.335 -1.335 1.00 0.00 C ATOM 632 O CYS A 48 -6.840 -3.393 -0.327 1.00 0.00 O ATOM 633 CB CYS A 48 -4.053 -4.631 -1.822 1.00 0.00 C ATOM 634 SG CYS A 48 -4.003 -4.655 -3.643 1.00 0.00 S ATOM 0 H CYS A 48 -3.834 -4.047 0.582 1.00 0.00 H new ATOM 0 HA CYS A 48 -4.227 -2.489 -1.795 1.00 0.00 H new ATOM 0 HB2 CYS A 48 -3.044 -4.786 -1.439 1.00 0.00 H new ATOM 0 HB3 CYS A 48 -4.657 -5.469 -1.475 1.00 0.00 H new ATOM 639 N VAL A 49 -6.639 -3.267 -2.564 1.00 0.00 N ATOM 640 CA VAL A 49 -8.077 -3.259 -2.803 1.00 0.00 C ATOM 641 C VAL A 49 -8.510 -4.486 -3.597 1.00 0.00 C ATOM 642 O VAL A 49 -9.658 -4.920 -3.512 1.00 0.00 O ATOM 643 CB VAL A 49 -8.513 -1.990 -3.561 1.00 0.00 C ATOM 644 CG1 VAL A 49 -8.104 -0.743 -2.793 1.00 0.00 C ATOM 645 CG2 VAL A 49 -7.924 -1.980 -4.963 1.00 0.00 C ATOM 0 H VAL A 49 -6.071 -3.217 -3.410 1.00 0.00 H new ATOM 0 HA VAL A 49 -8.560 -3.274 -1.826 1.00 0.00 H new ATOM 0 HB VAL A 49 -9.600 -1.994 -3.648 1.00 0.00 H new ATOM 0 HG11 VAL A 49 -8.420 0.143 -3.343 1.00 0.00 H new ATOM 0 HG12 VAL A 49 -8.578 -0.749 -1.811 1.00 0.00 H new ATOM 0 HG13 VAL A 49 -7.021 -0.728 -2.673 1.00 0.00 H new ATOM 0 HG21 VAL A 49 -8.242 -1.077 -5.485 1.00 0.00 H new ATOM 0 HG22 VAL A 49 -6.836 -1.999 -4.901 1.00 0.00 H new ATOM 0 HG23 VAL A 49 -8.272 -2.856 -5.510 1.00 0.00 H new ATOM 655 N SER A 50 -7.582 -5.041 -4.370 1.00 0.00 N ATOM 656 CA SER A 50 -7.868 -6.218 -5.183 1.00 0.00 C ATOM 657 C SER A 50 -7.689 -7.496 -4.370 1.00 0.00 C ATOM 658 O SER A 50 -8.480 -8.434 -4.484 1.00 0.00 O ATOM 659 CB SER A 50 -6.955 -6.249 -6.411 1.00 0.00 C ATOM 660 OG SER A 50 -7.393 -7.219 -7.346 1.00 0.00 O ATOM 0 H SER A 50 -6.626 -4.695 -4.451 1.00 0.00 H new ATOM 0 HA SER A 50 -8.906 -6.159 -5.511 1.00 0.00 H new ATOM 0 HB2 SER A 50 -6.940 -5.266 -6.882 1.00 0.00 H new ATOM 0 HB3 SER A 50 -5.933 -6.471 -6.103 1.00 0.00 H new ATOM 0 HG SER A 50 -6.655 -7.449 -7.948 1.00 0.00 H new ATOM 666 N CYS A 51 -6.645 -7.527 -3.549 1.00 0.00 N ATOM 667 CA CYS A 51 -6.360 -8.690 -2.716 1.00 0.00 C ATOM 668 C CYS A 51 -6.496 -8.345 -1.236 1.00 0.00 C ATOM 669 O CYS A 51 -6.652 -9.229 -0.394 1.00 0.00 O ATOM 670 CB CYS A 51 -4.952 -9.215 -3.002 1.00 0.00 C ATOM 671 SG CYS A 51 -3.619 -8.090 -2.476 1.00 0.00 S ATOM 0 H CYS A 51 -5.982 -6.760 -3.442 1.00 0.00 H new ATOM 0 HA CYS A 51 -7.086 -9.466 -2.958 1.00 0.00 H new ATOM 0 HB2 CYS A 51 -4.824 -10.173 -2.499 1.00 0.00 H new ATOM 0 HB3 CYS A 51 -4.855 -9.401 -4.072 1.00 0.00 H new ATOM 676 N MET A 52 -6.437 -7.053 -0.927 1.00 0.00 N ATOM 677 CA MET A 52 -6.556 -6.591 0.451 1.00 0.00 C ATOM 678 C MET A 52 -5.410 -7.127 1.304 1.00 0.00 C ATOM 679 O MET A 52 -5.629 -7.649 2.397 1.00 0.00 O ATOM 680 CB MET A 52 -7.896 -7.029 1.045 1.00 0.00 C ATOM 681 CG MET A 52 -9.100 -6.452 0.317 1.00 0.00 C ATOM 682 SD MET A 52 -9.631 -4.870 0.998 1.00 0.00 S ATOM 683 CE MET A 52 -10.554 -5.412 2.434 1.00 0.00 C ATOM 0 H MET A 52 -6.308 -6.308 -1.612 1.00 0.00 H new ATOM 0 HA MET A 52 -6.507 -5.502 0.448 1.00 0.00 H new ATOM 0 HB2 MET A 52 -7.956 -8.117 1.023 1.00 0.00 H new ATOM 0 HB3 MET A 52 -7.936 -6.728 2.092 1.00 0.00 H new ATOM 0 HG2 MET A 52 -8.856 -6.325 -0.738 1.00 0.00 H new ATOM 0 HG3 MET A 52 -9.926 -7.161 0.370 1.00 0.00 H new ATOM 0 HE1 MET A 52 -10.963 -4.545 2.952 1.00 0.00 H new ATOM 0 HE2 MET A 52 -11.369 -6.063 2.118 1.00 0.00 H new ATOM 0 HE3 MET A 52 -9.893 -5.958 3.107 1.00 0.00 H new ATOM 693 N SER A 53 -4.188 -6.994 0.797 1.00 0.00 N ATOM 694 CA SER A 53 -3.009 -7.468 1.511 1.00 0.00 C ATOM 695 C SER A 53 -2.252 -6.304 2.143 1.00 0.00 C ATOM 696 O SER A 53 -2.288 -5.181 1.641 1.00 0.00 O ATOM 697 CB SER A 53 -2.086 -8.235 0.562 1.00 0.00 C ATOM 698 OG SER A 53 -1.451 -7.358 -0.352 1.00 0.00 O ATOM 0 H SER A 53 -3.989 -6.562 -0.105 1.00 0.00 H new ATOM 0 HA SER A 53 -3.340 -8.137 2.305 1.00 0.00 H new ATOM 0 HB2 SER A 53 -1.333 -8.773 1.138 1.00 0.00 H new ATOM 0 HB3 SER A 53 -2.661 -8.981 0.014 1.00 0.00 H new ATOM 0 HG SER A 53 -1.938 -7.363 -1.202 1.00 0.00 H new ATOM 704 N GLU A 54 -1.568 -6.582 3.249 1.00 0.00 N ATOM 705 CA GLU A 54 -0.803 -5.558 3.950 1.00 0.00 C ATOM 706 C GLU A 54 0.208 -4.898 3.017 1.00 0.00 C ATOM 707 O GLU A 54 0.794 -5.553 2.154 1.00 0.00 O ATOM 708 CB GLU A 54 -0.081 -6.165 5.155 1.00 0.00 C ATOM 709 CG GLU A 54 -0.947 -6.258 6.400 1.00 0.00 C ATOM 710 CD GLU A 54 -1.991 -7.353 6.304 1.00 0.00 C ATOM 711 OE1 GLU A 54 -3.090 -7.079 5.777 1.00 0.00 O ATOM 712 OE2 GLU A 54 -1.710 -8.482 6.756 1.00 0.00 O ATOM 0 H GLU A 54 -1.528 -7.507 3.678 1.00 0.00 H new ATOM 0 HA GLU A 54 -1.500 -4.796 4.299 1.00 0.00 H new ATOM 0 HB2 GLU A 54 0.271 -7.163 4.892 1.00 0.00 H new ATOM 0 HB3 GLU A 54 0.801 -5.565 5.380 1.00 0.00 H new ATOM 0 HG2 GLU A 54 -0.312 -6.442 7.267 1.00 0.00 H new ATOM 0 HG3 GLU A 54 -1.443 -5.302 6.565 1.00 0.00 H new ATOM 719 N LYS A 55 0.408 -3.597 3.195 1.00 0.00 N ATOM 720 CA LYS A 55 1.348 -2.846 2.370 1.00 0.00 C ATOM 721 C LYS A 55 2.752 -2.898 2.962 1.00 0.00 C ATOM 722 O LYS A 55 2.948 -2.767 4.171 1.00 0.00 O ATOM 723 CB LYS A 55 0.892 -1.391 2.237 1.00 0.00 C ATOM 724 CG LYS A 55 1.904 -0.499 1.538 1.00 0.00 C ATOM 725 CD LYS A 55 1.513 0.966 1.632 1.00 0.00 C ATOM 726 CE LYS A 55 2.164 1.788 0.529 1.00 0.00 C ATOM 727 NZ LYS A 55 3.612 2.016 0.789 1.00 0.00 N ATOM 0 H LYS A 55 -0.069 -3.040 3.904 1.00 0.00 H new ATOM 0 HA LYS A 55 1.372 -3.304 1.381 1.00 0.00 H new ATOM 0 HB2 LYS A 55 -0.048 -1.362 1.685 1.00 0.00 H new ATOM 0 HB3 LYS A 55 0.691 -0.990 3.230 1.00 0.00 H new ATOM 0 HG2 LYS A 55 2.888 -0.644 1.985 1.00 0.00 H new ATOM 0 HG3 LYS A 55 1.984 -0.789 0.490 1.00 0.00 H new ATOM 0 HD2 LYS A 55 0.429 1.059 1.566 1.00 0.00 H new ATOM 0 HD3 LYS A 55 1.808 1.361 2.604 1.00 0.00 H new ATOM 0 HE2 LYS A 55 2.043 1.276 -0.425 1.00 0.00 H new ATOM 0 HE3 LYS A 55 1.655 2.748 0.443 1.00 0.00 H new ATOM 0 HZ1 LYS A 55 4.019 2.579 0.015 1.00 0.00 H new ATOM 0 HZ2 LYS A 55 3.727 2.527 1.687 1.00 0.00 H new ATOM 0 HZ3 LYS A 55 4.103 1.101 0.846 1.00 0.00 H new ATOM 741 N PRO A 56 3.755 -3.093 2.093 1.00 0.00 N ATOM 742 CA PRO A 56 5.159 -3.165 2.507 1.00 0.00 C ATOM 743 C PRO A 56 5.695 -1.816 2.974 1.00 0.00 C ATOM 744 O PRO A 56 5.102 -0.773 2.701 1.00 0.00 O ATOM 745 CB PRO A 56 5.882 -3.617 1.236 1.00 0.00 C ATOM 746 CG PRO A 56 5.004 -3.165 0.120 1.00 0.00 C ATOM 747 CD PRO A 56 3.595 -3.258 0.638 1.00 0.00 C ATOM 0 HA PRO A 56 5.300 -3.836 3.355 1.00 0.00 H new ATOM 0 HB2 PRO A 56 6.874 -3.171 1.165 1.00 0.00 H new ATOM 0 HB3 PRO A 56 6.017 -4.699 1.221 1.00 0.00 H new ATOM 0 HG2 PRO A 56 5.244 -2.144 -0.177 1.00 0.00 H new ATOM 0 HG3 PRO A 56 5.138 -3.793 -0.761 1.00 0.00 H new ATOM 0 HD2 PRO A 56 2.959 -2.482 0.213 1.00 0.00 H new ATOM 0 HD3 PRO A 56 3.138 -4.216 0.390 1.00 0.00 H new ATOM 755 N GLY A 57 6.822 -1.843 3.679 1.00 0.00 N ATOM 756 CA GLY A 57 7.420 -0.616 4.172 1.00 0.00 C ATOM 757 C GLY A 57 7.005 -0.300 5.595 1.00 0.00 C ATOM 758 O GLY A 57 6.318 -1.112 6.213 1.00 0.00 O ATOM 0 H GLY A 57 7.332 -2.694 3.918 1.00 0.00 H new ATOM 0 HA2 GLY A 57 8.506 -0.700 4.123 1.00 0.00 H new ATOM 0 HA3 GLY A 57 7.135 0.211 3.521 1.00 0.00 H new TER 762 GLY A 57 HETATM 763 ZN ZN A 201 -2.778 -6.634 -3.990 1.00 0.00 ZN