USER MOD reduce.3.24.130724 H: found=0, std=0, add=441, rem=0, adj=21 USER MOD reduce.3.24.130724 removed 441 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 4 THR OG1 : rot -55:sc= 1.22 USER MOD Set 1.2: A 39 GLN : amide:sc= 1.08 K(o=2.3,f=-0.049) USER MOD Single : A 1 SER N :NH3+ -111:sc= 0.602 (180deg=0) USER MOD Single : A 1 SER OG : rot 180:sc= 0.221 USER MOD Single : A 3 THR OG1 : rot 180:sc= -0.195 USER MOD Single : A 8 ASN : amide:sc= 0 X(o=0,f=-0.022) USER MOD Single : A 9 THR OG1 : rot -110:sc= 0.159 USER MOD Single : A 11 SER OG : rot 140:sc= 0.00386 USER MOD Single : A 15 TYR OH : rot 180:sc= 0 USER MOD Single : A 16 LYS NZ :NH3+ -123:sc= 0.917 (180deg=0.56) USER MOD Single : A 18 TYR OH : rot -175:sc= 0.98 USER MOD Single : A 21 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 22 SER OG : rot 120:sc= 0.825 USER MOD Single : A 23 MET CE :methyl 152:sc= -0.759 (180deg=-2.16!) USER MOD Single : A 24 SER OG : rot 180:sc= 0.0743 USER MOD Single : A 26 SER OG : rot 86:sc= 0.565 USER MOD Single : A 28 SER OG : rot 180:sc= 0.0217 USER MOD Single : A 38 SER OG : rot -150:sc= -2.05! USER MOD Single : A 43 SER OG : rot 180:sc= 0 USER MOD Single : A 45 LYS NZ :NH3+ 140:sc= 1.16 (180deg=0.0359!) USER MOD Single : A 48 LYS NZ :NH3+ 145:sc= 2.14 (180deg=0.965) USER MOD Single : A 52 THR OG1 : rot 180:sc= 0.0121 USER MOD Single : A 53 ASN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 54 THR OG1 : rot 180:sc= 0 USER MOD Single : A 56 ASN : amide:sc= 1.18 K(o=1.2,f=-0.18) USER MOD Single : A 57 SER OG : rot 180:sc= 0.146 USER MOD Single : A 62 ASN : amide:sc= -0.16 K(o=-0.16,f=-2!) USER MOD Single : A 65 ASN : amide:sc= 0.0783 K(o=0.078,f=-4.7!) USER MOD ----------------------------------------------------------------- ATOM 1 N SER A 1 16.009 2.325 4.368 1.00 0.00 N ATOM 2 CA SER A 1 15.199 3.432 4.913 1.00 0.00 C ATOM 3 C SER A 1 13.989 3.709 4.027 1.00 0.00 C ATOM 4 O SER A 1 12.845 3.591 4.465 1.00 0.00 O ATOM 5 CB SER A 1 16.064 4.685 5.018 1.00 0.00 C ATOM 6 OG SER A 1 17.426 4.378 4.763 1.00 0.00 O ATOM 0 H1 SER A 1 15.932 1.498 4.993 1.00 0.00 H new ATOM 0 H2 SER A 1 15.663 2.076 3.419 1.00 0.00 H new ATOM 0 H3 SER A 1 17.004 2.621 4.307 1.00 0.00 H new ATOM 0 HA SER A 1 14.838 3.149 5.902 1.00 0.00 H new ATOM 0 HB2 SER A 1 15.716 5.434 4.307 1.00 0.00 H new ATOM 0 HB3 SER A 1 15.964 5.119 6.013 1.00 0.00 H new ATOM 0 HG SER A 1 17.964 5.194 4.833 1.00 0.00 H new ATOM 14 N ALA A 2 14.248 4.068 2.777 1.00 0.00 N ATOM 15 CA ALA A 2 13.184 4.373 1.836 1.00 0.00 C ATOM 16 C ALA A 2 13.156 3.336 0.723 1.00 0.00 C ATOM 17 O ALA A 2 14.203 2.908 0.240 1.00 0.00 O ATOM 18 CB ALA A 2 13.369 5.769 1.265 1.00 0.00 C ATOM 0 H ALA A 2 15.189 4.155 2.392 1.00 0.00 H new ATOM 0 HA ALA A 2 12.229 4.342 2.361 1.00 0.00 H new ATOM 0 HB1 ALA A 2 12.565 5.984 0.562 1.00 0.00 H new ATOM 0 HB2 ALA A 2 13.348 6.499 2.074 1.00 0.00 H new ATOM 0 HB3 ALA A 2 14.327 5.827 0.749 1.00 0.00 H new ATOM 24 N THR A 3 11.965 2.927 0.328 1.00 0.00 N ATOM 25 CA THR A 3 11.820 1.891 -0.679 1.00 0.00 C ATOM 26 C THR A 3 11.224 2.458 -1.965 1.00 0.00 C ATOM 27 O THR A 3 10.338 3.315 -1.923 1.00 0.00 O ATOM 28 CB THR A 3 10.934 0.746 -0.156 1.00 0.00 C ATOM 29 OG1 THR A 3 10.999 0.704 1.278 1.00 0.00 O ATOM 30 CG2 THR A 3 11.382 -0.590 -0.730 1.00 0.00 C ATOM 0 H THR A 3 11.085 3.295 0.688 1.00 0.00 H new ATOM 0 HA THR A 3 12.814 1.500 -0.898 1.00 0.00 H new ATOM 0 HB THR A 3 9.907 0.929 -0.472 1.00 0.00 H new ATOM 0 HG1 THR A 3 10.433 -0.024 1.610 1.00 0.00 H new ATOM 0 HG21 THR A 3 10.741 -1.384 -0.346 1.00 0.00 H new ATOM 0 HG22 THR A 3 11.312 -0.561 -1.817 1.00 0.00 H new ATOM 0 HG23 THR A 3 12.414 -0.784 -0.438 1.00 0.00 H new ATOM 38 N THR A 4 11.717 1.984 -3.100 1.00 0.00 N ATOM 39 CA THR A 4 11.215 2.423 -4.391 1.00 0.00 C ATOM 40 C THR A 4 9.897 1.728 -4.702 1.00 0.00 C ATOM 41 O THR A 4 9.811 0.494 -4.698 1.00 0.00 O ATOM 42 CB THR A 4 12.234 2.123 -5.502 1.00 0.00 C ATOM 43 OG1 THR A 4 13.541 1.978 -4.927 1.00 0.00 O ATOM 44 CG2 THR A 4 12.250 3.232 -6.545 1.00 0.00 C ATOM 0 H THR A 4 12.466 1.294 -3.151 1.00 0.00 H new ATOM 0 HA THR A 4 11.054 3.500 -4.347 1.00 0.00 H new ATOM 0 HB THR A 4 11.943 1.196 -5.996 1.00 0.00 H new ATOM 0 HG1 THR A 4 13.760 2.779 -4.406 1.00 0.00 H new ATOM 0 HG21 THR A 4 12.980 2.993 -7.319 1.00 0.00 H new ATOM 0 HG22 THR A 4 11.261 3.323 -6.995 1.00 0.00 H new ATOM 0 HG23 THR A 4 12.521 4.175 -6.070 1.00 0.00 H new ATOM 52 N ILE A 5 8.873 2.524 -4.962 1.00 0.00 N ATOM 53 CA ILE A 5 7.525 2.004 -5.093 1.00 0.00 C ATOM 54 C ILE A 5 7.172 1.669 -6.534 1.00 0.00 C ATOM 55 O ILE A 5 7.680 2.275 -7.480 1.00 0.00 O ATOM 56 CB ILE A 5 6.476 2.988 -4.546 1.00 0.00 C ATOM 57 CG1 ILE A 5 7.022 3.747 -3.331 1.00 0.00 C ATOM 58 CG2 ILE A 5 5.202 2.237 -4.195 1.00 0.00 C ATOM 59 CD1 ILE A 5 6.808 3.031 -2.017 1.00 0.00 C ATOM 0 H ILE A 5 8.951 3.533 -5.086 1.00 0.00 H new ATOM 0 HA ILE A 5 7.507 1.088 -4.502 1.00 0.00 H new ATOM 0 HB ILE A 5 6.246 3.724 -5.316 1.00 0.00 H new ATOM 0 HG12 ILE A 5 8.089 3.918 -3.471 1.00 0.00 H new ATOM 0 HG13 ILE A 5 6.546 4.726 -3.282 1.00 0.00 H new ATOM 0 HG21 ILE A 5 4.462 2.937 -3.808 1.00 0.00 H new ATOM 0 HG22 ILE A 5 4.809 1.750 -5.088 1.00 0.00 H new ATOM 0 HG23 ILE A 5 5.420 1.484 -3.437 1.00 0.00 H new ATOM 0 HD11 ILE A 5 7.221 3.630 -1.205 1.00 0.00 H new ATOM 0 HD12 ILE A 5 5.741 2.883 -1.853 1.00 0.00 H new ATOM 0 HD13 ILE A 5 7.308 2.063 -2.045 1.00 0.00 H new ATOM 71 N GLY A 6 6.289 0.694 -6.674 1.00 0.00 N ATOM 72 CA GLY A 6 5.808 0.269 -7.964 1.00 0.00 C ATOM 73 C GLY A 6 5.244 -1.128 -7.877 1.00 0.00 C ATOM 74 O GLY A 6 5.290 -1.731 -6.802 1.00 0.00 O ATOM 0 H GLY A 6 5.889 0.178 -5.890 1.00 0.00 H new ATOM 0 HA2 GLY A 6 5.041 0.957 -8.319 1.00 0.00 H new ATOM 0 HA3 GLY A 6 6.621 0.296 -8.690 1.00 0.00 H new ATOM 78 N PRO A 7 4.678 -1.663 -8.970 1.00 0.00 N ATOM 79 CA PRO A 7 4.239 -3.066 -9.043 1.00 0.00 C ATOM 80 C PRO A 7 5.406 -4.061 -8.940 1.00 0.00 C ATOM 81 O PRO A 7 5.476 -5.043 -9.678 1.00 0.00 O ATOM 82 CB PRO A 7 3.573 -3.174 -10.423 1.00 0.00 C ATOM 83 CG PRO A 7 3.304 -1.771 -10.847 1.00 0.00 C ATOM 84 CD PRO A 7 4.359 -0.924 -10.199 1.00 0.00 C ATOM 0 HA PRO A 7 3.577 -3.316 -8.214 1.00 0.00 H new ATOM 0 HB2 PRO A 7 4.225 -3.681 -11.135 1.00 0.00 H new ATOM 0 HB3 PRO A 7 2.650 -3.751 -10.369 1.00 0.00 H new ATOM 0 HG2 PRO A 7 3.344 -1.679 -11.932 1.00 0.00 H new ATOM 0 HG3 PRO A 7 2.308 -1.456 -10.537 1.00 0.00 H new ATOM 0 HD2 PRO A 7 5.234 -0.812 -10.839 1.00 0.00 H new ATOM 0 HD3 PRO A 7 3.992 0.079 -9.981 1.00 0.00 H new ATOM 92 N ASN A 8 6.311 -3.798 -8.013 1.00 0.00 N ATOM 93 CA ASN A 8 7.472 -4.642 -7.799 1.00 0.00 C ATOM 94 C ASN A 8 7.622 -4.964 -6.321 1.00 0.00 C ATOM 95 O ASN A 8 7.898 -6.104 -5.953 1.00 0.00 O ATOM 96 CB ASN A 8 8.741 -3.957 -8.312 1.00 0.00 C ATOM 97 CG ASN A 8 9.917 -4.912 -8.401 1.00 0.00 C ATOM 98 OD1 ASN A 8 9.839 -5.948 -9.063 1.00 0.00 O ATOM 99 ND2 ASN A 8 11.014 -4.573 -7.737 1.00 0.00 N ATOM 0 H ASN A 8 6.261 -2.993 -7.388 1.00 0.00 H new ATOM 0 HA ASN A 8 7.327 -5.569 -8.354 1.00 0.00 H new ATOM 0 HB2 ASN A 8 8.548 -3.530 -9.296 1.00 0.00 H new ATOM 0 HB3 ASN A 8 8.997 -3.130 -7.650 1.00 0.00 H new ATOM 0 HD21 ASN A 8 11.834 -5.179 -7.763 1.00 0.00 H new ATOM 0 HD22 ASN A 8 11.038 -3.706 -7.200 1.00 0.00 H new ATOM 106 N THR A 9 7.425 -3.949 -5.480 1.00 0.00 N ATOM 107 CA THR A 9 7.517 -4.112 -4.033 1.00 0.00 C ATOM 108 C THR A 9 6.468 -5.100 -3.532 1.00 0.00 C ATOM 109 O THR A 9 6.743 -5.940 -2.674 1.00 0.00 O ATOM 110 CB THR A 9 7.329 -2.756 -3.330 1.00 0.00 C ATOM 111 OG1 THR A 9 7.393 -1.697 -4.302 1.00 0.00 O ATOM 112 CG2 THR A 9 8.396 -2.542 -2.265 1.00 0.00 C ATOM 0 H THR A 9 7.199 -3.001 -5.780 1.00 0.00 H new ATOM 0 HA THR A 9 8.507 -4.504 -3.799 1.00 0.00 H new ATOM 0 HB THR A 9 6.354 -2.751 -2.843 1.00 0.00 H new ATOM 0 HG1 THR A 9 8.221 -1.188 -4.178 1.00 0.00 H new ATOM 0 HG21 THR A 9 8.241 -1.577 -1.783 1.00 0.00 H new ATOM 0 HG22 THR A 9 8.330 -3.334 -1.519 1.00 0.00 H new ATOM 0 HG23 THR A 9 9.382 -2.562 -2.729 1.00 0.00 H new ATOM 120 N CYS A 10 5.268 -4.993 -4.082 1.00 0.00 N ATOM 121 CA CYS A 10 4.200 -5.934 -3.794 1.00 0.00 C ATOM 122 C CYS A 10 3.253 -6.007 -4.979 1.00 0.00 C ATOM 123 O CYS A 10 2.741 -4.983 -5.436 1.00 0.00 O ATOM 124 CB CYS A 10 3.443 -5.544 -2.521 1.00 0.00 C ATOM 125 SG CYS A 10 4.093 -6.331 -1.014 1.00 0.00 S ATOM 0 H CYS A 10 5.009 -4.255 -4.737 1.00 0.00 H new ATOM 0 HA CYS A 10 4.640 -6.917 -3.624 1.00 0.00 H new ATOM 0 HB2 CYS A 10 3.484 -4.461 -2.402 1.00 0.00 H new ATOM 0 HB3 CYS A 10 2.393 -5.812 -2.637 1.00 0.00 H new ATOM 130 N SER A 11 3.047 -7.217 -5.476 1.00 0.00 N ATOM 131 CA SER A 11 2.258 -7.446 -6.677 1.00 0.00 C ATOM 132 C SER A 11 2.093 -8.945 -6.873 1.00 0.00 C ATOM 133 O SER A 11 2.099 -9.453 -7.996 1.00 0.00 O ATOM 134 CB SER A 11 2.947 -6.821 -7.897 1.00 0.00 C ATOM 135 OG SER A 11 4.361 -6.812 -7.750 1.00 0.00 O ATOM 0 H SER A 11 3.422 -8.068 -5.058 1.00 0.00 H new ATOM 0 HA SER A 11 1.279 -6.979 -6.568 1.00 0.00 H new ATOM 0 HB2 SER A 11 2.677 -7.379 -8.794 1.00 0.00 H new ATOM 0 HB3 SER A 11 2.588 -5.801 -8.036 1.00 0.00 H new ATOM 0 HG SER A 11 4.780 -7.038 -8.607 1.00 0.00 H new ATOM 141 N ILE A 12 1.958 -9.645 -5.756 1.00 0.00 N ATOM 142 CA ILE A 12 1.945 -11.094 -5.760 1.00 0.00 C ATOM 143 C ILE A 12 0.582 -11.624 -5.338 1.00 0.00 C ATOM 144 O ILE A 12 -0.253 -11.950 -6.178 1.00 0.00 O ATOM 145 CB ILE A 12 3.027 -11.669 -4.818 1.00 0.00 C ATOM 146 CG1 ILE A 12 4.105 -10.617 -4.521 1.00 0.00 C ATOM 147 CG2 ILE A 12 3.648 -12.914 -5.428 1.00 0.00 C ATOM 148 CD1 ILE A 12 5.054 -11.006 -3.408 1.00 0.00 C ATOM 0 H ILE A 12 1.856 -9.226 -4.832 1.00 0.00 H new ATOM 0 HA ILE A 12 2.159 -11.415 -6.780 1.00 0.00 H new ATOM 0 HB ILE A 12 2.553 -11.943 -3.875 1.00 0.00 H new ATOM 0 HG12 ILE A 12 4.681 -10.435 -5.429 1.00 0.00 H new ATOM 0 HG13 ILE A 12 3.619 -9.677 -4.258 1.00 0.00 H new ATOM 0 HG21 ILE A 12 4.408 -13.309 -4.754 1.00 0.00 H new ATOM 0 HG22 ILE A 12 2.875 -13.667 -5.584 1.00 0.00 H new ATOM 0 HG23 ILE A 12 4.106 -12.661 -6.384 1.00 0.00 H new ATOM 0 HD11 ILE A 12 5.785 -10.211 -3.259 1.00 0.00 H new ATOM 0 HD12 ILE A 12 4.491 -11.159 -2.487 1.00 0.00 H new ATOM 0 HD13 ILE A 12 5.570 -11.928 -3.675 1.00 0.00 H new ATOM 160 N ASP A 13 0.355 -11.687 -4.035 1.00 0.00 N ATOM 161 CA ASP A 13 -0.888 -12.229 -3.502 1.00 0.00 C ATOM 162 C ASP A 13 -1.952 -11.142 -3.359 1.00 0.00 C ATOM 163 O ASP A 13 -2.433 -10.873 -2.254 1.00 0.00 O ATOM 164 CB ASP A 13 -0.628 -12.893 -2.150 1.00 0.00 C ATOM 165 CG ASP A 13 -1.731 -13.855 -1.761 1.00 0.00 C ATOM 166 OD1 ASP A 13 -2.284 -14.529 -2.655 1.00 0.00 O ATOM 167 OD2 ASP A 13 -2.056 -13.946 -0.559 1.00 0.00 O ATOM 0 H ASP A 13 1.015 -11.369 -3.325 1.00 0.00 H new ATOM 0 HA ASP A 13 -1.263 -12.974 -4.204 1.00 0.00 H new ATOM 0 HB2 ASP A 13 0.321 -13.428 -2.187 1.00 0.00 H new ATOM 0 HB3 ASP A 13 -0.532 -12.125 -1.383 1.00 0.00 H new ATOM 172 N ASP A 14 -2.318 -10.529 -4.486 1.00 0.00 N ATOM 173 CA ASP A 14 -3.293 -9.431 -4.506 1.00 0.00 C ATOM 174 C ASP A 14 -2.904 -8.354 -3.497 1.00 0.00 C ATOM 175 O ASP A 14 -3.692 -7.968 -2.628 1.00 0.00 O ATOM 176 CB ASP A 14 -4.713 -9.945 -4.224 1.00 0.00 C ATOM 177 CG ASP A 14 -5.792 -8.977 -4.685 1.00 0.00 C ATOM 178 OD1 ASP A 14 -5.465 -8.001 -5.392 1.00 0.00 O ATOM 179 OD2 ASP A 14 -6.978 -9.189 -4.338 1.00 0.00 O ATOM 0 H ASP A 14 -1.952 -10.775 -5.406 1.00 0.00 H new ATOM 0 HA ASP A 14 -3.287 -8.993 -5.504 1.00 0.00 H new ATOM 0 HB2 ASP A 14 -4.854 -10.904 -4.724 1.00 0.00 H new ATOM 0 HB3 ASP A 14 -4.824 -10.124 -3.155 1.00 0.00 H new ATOM 184 N TYR A 15 -1.673 -7.880 -3.621 1.00 0.00 N ATOM 185 CA TYR A 15 -1.128 -6.906 -2.694 1.00 0.00 C ATOM 186 C TYR A 15 -0.702 -5.655 -3.435 1.00 0.00 C ATOM 187 O TYR A 15 0.055 -5.727 -4.402 1.00 0.00 O ATOM 188 CB TYR A 15 0.072 -7.487 -1.943 1.00 0.00 C ATOM 189 CG TYR A 15 -0.299 -8.303 -0.730 1.00 0.00 C ATOM 190 CD1 TYR A 15 -1.114 -7.781 0.263 1.00 0.00 C ATOM 191 CD2 TYR A 15 0.168 -9.597 -0.580 1.00 0.00 C ATOM 192 CE1 TYR A 15 -1.453 -8.528 1.371 1.00 0.00 C ATOM 193 CE2 TYR A 15 -0.164 -10.351 0.522 1.00 0.00 C ATOM 194 CZ TYR A 15 -0.977 -9.813 1.497 1.00 0.00 C ATOM 195 OH TYR A 15 -1.320 -10.562 2.597 1.00 0.00 O ATOM 0 H TYR A 15 -1.030 -8.159 -4.362 1.00 0.00 H new ATOM 0 HA TYR A 15 -1.907 -6.652 -1.975 1.00 0.00 H new ATOM 0 HB2 TYR A 15 0.647 -8.112 -2.626 1.00 0.00 H new ATOM 0 HB3 TYR A 15 0.724 -6.670 -1.633 1.00 0.00 H new ATOM 0 HD1 TYR A 15 -1.489 -6.773 0.167 1.00 0.00 H new ATOM 0 HD2 TYR A 15 0.804 -10.023 -1.342 1.00 0.00 H new ATOM 0 HE1 TYR A 15 -2.089 -8.107 2.136 1.00 0.00 H new ATOM 0 HE2 TYR A 15 0.210 -11.359 0.623 1.00 0.00 H new ATOM 0 HH TYR A 15 -0.903 -11.447 2.533 1.00 0.00 H new ATOM 205 N LYS A 16 -1.193 -4.517 -2.984 1.00 0.00 N ATOM 206 CA LYS A 16 -0.792 -3.242 -3.552 1.00 0.00 C ATOM 207 C LYS A 16 0.174 -2.545 -2.604 1.00 0.00 C ATOM 208 O LYS A 16 0.065 -2.691 -1.383 1.00 0.00 O ATOM 209 CB LYS A 16 -2.007 -2.342 -3.823 1.00 0.00 C ATOM 210 CG LYS A 16 -3.349 -3.022 -3.619 1.00 0.00 C ATOM 211 CD LYS A 16 -4.102 -3.179 -4.929 1.00 0.00 C ATOM 212 CE LYS A 16 -5.278 -2.216 -5.024 1.00 0.00 C ATOM 213 NZ LYS A 16 -6.514 -2.794 -4.436 1.00 0.00 N ATOM 0 H LYS A 16 -1.871 -4.448 -2.225 1.00 0.00 H new ATOM 0 HA LYS A 16 -0.299 -3.431 -4.506 1.00 0.00 H new ATOM 0 HB2 LYS A 16 -1.952 -1.471 -3.170 1.00 0.00 H new ATOM 0 HB3 LYS A 16 -1.951 -1.976 -4.848 1.00 0.00 H new ATOM 0 HG2 LYS A 16 -3.196 -4.002 -3.167 1.00 0.00 H new ATOM 0 HG3 LYS A 16 -3.950 -2.440 -2.921 1.00 0.00 H new ATOM 0 HD2 LYS A 16 -3.422 -3.005 -5.763 1.00 0.00 H new ATOM 0 HD3 LYS A 16 -4.463 -4.203 -5.020 1.00 0.00 H new ATOM 0 HE2 LYS A 16 -5.030 -1.288 -4.509 1.00 0.00 H new ATOM 0 HE3 LYS A 16 -5.457 -1.963 -6.069 1.00 0.00 H new ATOM 0 HZ1 LYS A 16 -7.269 -2.799 -5.151 1.00 0.00 H new ATOM 0 HZ2 LYS A 16 -6.327 -3.768 -4.123 1.00 0.00 H new ATOM 0 HZ3 LYS A 16 -6.812 -2.220 -3.622 1.00 0.00 H new ATOM 227 N PRO A 17 1.145 -1.800 -3.147 1.00 0.00 N ATOM 228 CA PRO A 17 2.097 -1.047 -2.335 1.00 0.00 C ATOM 229 C PRO A 17 1.444 0.173 -1.699 1.00 0.00 C ATOM 230 O PRO A 17 0.842 1.000 -2.388 1.00 0.00 O ATOM 231 CB PRO A 17 3.175 -0.639 -3.341 1.00 0.00 C ATOM 232 CG PRO A 17 2.472 -0.587 -4.653 1.00 0.00 C ATOM 233 CD PRO A 17 1.388 -1.632 -4.594 1.00 0.00 C ATOM 0 HA PRO A 17 2.491 -1.626 -1.500 1.00 0.00 H new ATOM 0 HB2 PRO A 17 3.608 0.328 -3.086 1.00 0.00 H new ATOM 0 HB3 PRO A 17 3.992 -1.360 -3.359 1.00 0.00 H new ATOM 0 HG2 PRO A 17 2.049 0.402 -4.829 1.00 0.00 H new ATOM 0 HG3 PRO A 17 3.162 -0.789 -5.472 1.00 0.00 H new ATOM 0 HD2 PRO A 17 0.488 -1.306 -5.116 1.00 0.00 H new ATOM 0 HD3 PRO A 17 1.706 -2.566 -5.058 1.00 0.00 H new ATOM 241 N TYR A 18 1.554 0.280 -0.387 1.00 0.00 N ATOM 242 CA TYR A 18 0.871 1.332 0.338 1.00 0.00 C ATOM 243 C TYR A 18 1.837 2.130 1.199 1.00 0.00 C ATOM 244 O TYR A 18 2.643 1.567 1.934 1.00 0.00 O ATOM 245 CB TYR A 18 -0.235 0.725 1.198 1.00 0.00 C ATOM 246 CG TYR A 18 -1.542 0.581 0.460 1.00 0.00 C ATOM 247 CD1 TYR A 18 -2.165 1.688 -0.089 1.00 0.00 C ATOM 248 CD2 TYR A 18 -2.146 -0.659 0.308 1.00 0.00 C ATOM 249 CE1 TYR A 18 -3.352 1.568 -0.780 1.00 0.00 C ATOM 250 CE2 TYR A 18 -3.337 -0.791 -0.379 1.00 0.00 C ATOM 251 CZ TYR A 18 -3.938 0.328 -0.921 1.00 0.00 C ATOM 252 OH TYR A 18 -5.119 0.216 -1.618 1.00 0.00 O ATOM 0 H TYR A 18 2.109 -0.348 0.195 1.00 0.00 H new ATOM 0 HA TYR A 18 0.432 2.020 -0.385 1.00 0.00 H new ATOM 0 HB2 TYR A 18 0.085 -0.254 1.554 1.00 0.00 H new ATOM 0 HB3 TYR A 18 -0.388 1.350 2.078 1.00 0.00 H new ATOM 0 HD1 TYR A 18 -1.714 2.662 0.026 1.00 0.00 H new ATOM 0 HD2 TYR A 18 -1.678 -1.534 0.733 1.00 0.00 H new ATOM 0 HE1 TYR A 18 -3.821 2.441 -1.209 1.00 0.00 H new ATOM 0 HE2 TYR A 18 -3.795 -1.763 -0.492 1.00 0.00 H new ATOM 0 HH TYR A 18 -5.445 -0.706 -1.562 1.00 0.00 H new ATOM 262 N CYS A 19 1.756 3.443 1.090 1.00 0.00 N ATOM 263 CA CYS A 19 2.572 4.329 1.903 1.00 0.00 C ATOM 264 C CYS A 19 1.732 4.922 3.024 1.00 0.00 C ATOM 265 O CYS A 19 0.940 5.838 2.806 1.00 0.00 O ATOM 266 CB CYS A 19 3.169 5.445 1.042 1.00 0.00 C ATOM 267 SG CYS A 19 4.119 4.850 -0.397 1.00 0.00 S ATOM 0 H CYS A 19 1.130 3.923 0.443 1.00 0.00 H new ATOM 0 HA CYS A 19 3.389 3.754 2.338 1.00 0.00 H new ATOM 0 HB2 CYS A 19 2.363 6.088 0.690 1.00 0.00 H new ATOM 0 HB3 CYS A 19 3.819 6.060 1.664 1.00 0.00 H new ATOM 272 N CYS A 20 1.890 4.374 4.217 1.00 0.00 N ATOM 273 CA CYS A 20 1.143 4.828 5.374 1.00 0.00 C ATOM 274 C CYS A 20 1.801 6.059 5.974 1.00 0.00 C ATOM 275 O CYS A 20 2.970 6.028 6.359 1.00 0.00 O ATOM 276 CB CYS A 20 1.048 3.716 6.420 1.00 0.00 C ATOM 277 SG CYS A 20 -0.394 2.621 6.217 1.00 0.00 S ATOM 0 H CYS A 20 2.535 3.608 4.409 1.00 0.00 H new ATOM 0 HA CYS A 20 0.134 5.090 5.054 1.00 0.00 H new ATOM 0 HB2 CYS A 20 1.956 3.114 6.378 1.00 0.00 H new ATOM 0 HB3 CYS A 20 1.011 4.167 7.411 1.00 0.00 H new ATOM 282 N GLN A 21 1.049 7.142 6.023 1.00 0.00 N ATOM 283 CA GLN A 21 1.547 8.397 6.561 1.00 0.00 C ATOM 284 C GLN A 21 0.837 8.705 7.873 1.00 0.00 C ATOM 285 O GLN A 21 1.479 8.997 8.884 1.00 0.00 O ATOM 286 CB GLN A 21 1.334 9.523 5.543 1.00 0.00 C ATOM 287 CG GLN A 21 1.269 9.027 4.103 1.00 0.00 C ATOM 288 CD GLN A 21 2.499 9.390 3.292 1.00 0.00 C ATOM 289 OE1 GLN A 21 3.515 8.692 3.326 1.00 0.00 O ATOM 290 NE2 GLN A 21 2.408 10.473 2.540 1.00 0.00 N ATOM 0 H GLN A 21 0.084 7.179 5.695 1.00 0.00 H new ATOM 0 HA GLN A 21 2.616 8.314 6.756 1.00 0.00 H new ATOM 0 HB2 GLN A 21 0.410 10.049 5.781 1.00 0.00 H new ATOM 0 HB3 GLN A 21 2.145 10.246 5.635 1.00 0.00 H new ATOM 0 HG2 GLN A 21 1.148 7.944 4.103 1.00 0.00 H new ATOM 0 HG3 GLN A 21 0.386 9.446 3.620 1.00 0.00 H new ATOM 0 HE21 GLN A 21 1.549 11.023 2.540 1.00 0.00 H new ATOM 0 HE22 GLN A 21 3.197 10.758 1.959 1.00 0.00 H new ATOM 299 N SER A 22 -0.495 8.616 7.837 1.00 0.00 N ATOM 300 CA SER A 22 -1.333 8.721 9.031 1.00 0.00 C ATOM 301 C SER A 22 -1.057 10.000 9.828 1.00 0.00 C ATOM 302 O SER A 22 -0.774 11.053 9.253 1.00 0.00 O ATOM 303 CB SER A 22 -1.129 7.487 9.910 1.00 0.00 C ATOM 304 OG SER A 22 -0.749 6.366 9.131 1.00 0.00 O ATOM 0 H SER A 22 -1.022 8.469 6.976 1.00 0.00 H new ATOM 0 HA SER A 22 -2.372 8.773 8.704 1.00 0.00 H new ATOM 0 HB2 SER A 22 -0.363 7.691 10.658 1.00 0.00 H new ATOM 0 HB3 SER A 22 -2.049 7.264 10.450 1.00 0.00 H new ATOM 0 HG SER A 22 0.128 6.044 9.427 1.00 0.00 H new ATOM 310 N MET A 23 -1.151 9.899 11.149 1.00 0.00 N ATOM 311 CA MET A 23 -0.938 11.039 12.030 1.00 0.00 C ATOM 312 C MET A 23 0.065 10.671 13.118 1.00 0.00 C ATOM 313 O MET A 23 0.885 9.770 12.931 1.00 0.00 O ATOM 314 CB MET A 23 -2.267 11.475 12.661 1.00 0.00 C ATOM 315 CG MET A 23 -3.001 12.548 11.868 1.00 0.00 C ATOM 316 SD MET A 23 -3.990 11.876 10.512 1.00 0.00 S ATOM 317 CE MET A 23 -4.849 10.537 11.337 1.00 0.00 C ATOM 0 H MET A 23 -1.375 9.031 11.636 1.00 0.00 H new ATOM 0 HA MET A 23 -0.540 11.869 11.447 1.00 0.00 H new ATOM 0 HB2 MET A 23 -2.914 10.604 12.761 1.00 0.00 H new ATOM 0 HB3 MET A 23 -2.076 11.847 13.668 1.00 0.00 H new ATOM 0 HG2 MET A 23 -3.651 13.108 12.541 1.00 0.00 H new ATOM 0 HG3 MET A 23 -2.275 13.254 11.465 1.00 0.00 H new ATOM 0 HE1 MET A 23 -5.803 10.357 10.841 1.00 0.00 H new ATOM 0 HE2 MET A 23 -4.241 9.633 11.294 1.00 0.00 H new ATOM 0 HE3 MET A 23 -5.026 10.806 12.378 1.00 0.00 H new ATOM 327 N SER A 24 0.002 11.361 14.249 1.00 0.00 N ATOM 328 CA SER A 24 0.893 11.082 15.365 1.00 0.00 C ATOM 329 C SER A 24 0.590 9.713 15.979 1.00 0.00 C ATOM 330 O SER A 24 1.438 8.819 15.970 1.00 0.00 O ATOM 331 CB SER A 24 0.762 12.189 16.412 1.00 0.00 C ATOM 332 OG SER A 24 0.169 13.352 15.849 1.00 0.00 O ATOM 0 H SER A 24 -0.659 12.120 14.417 1.00 0.00 H new ATOM 0 HA SER A 24 1.920 11.058 15.000 1.00 0.00 H new ATOM 0 HB2 SER A 24 0.157 11.835 17.247 1.00 0.00 H new ATOM 0 HB3 SER A 24 1.746 12.435 16.812 1.00 0.00 H new ATOM 0 HG SER A 24 0.093 14.046 16.537 1.00 0.00 H new ATOM 338 N GLY A 25 -0.618 9.545 16.495 1.00 0.00 N ATOM 339 CA GLY A 25 -0.996 8.277 17.083 1.00 0.00 C ATOM 340 C GLY A 25 -2.042 7.564 16.257 1.00 0.00 C ATOM 341 O GLY A 25 -3.234 7.834 16.389 1.00 0.00 O ATOM 0 H GLY A 25 -1.342 10.263 16.517 1.00 0.00 H new ATOM 0 HA2 GLY A 25 -0.114 7.643 17.178 1.00 0.00 H new ATOM 0 HA3 GLY A 25 -1.379 8.443 18.090 1.00 0.00 H new ATOM 345 N SER A 26 -1.602 6.651 15.402 1.00 0.00 N ATOM 346 CA SER A 26 -2.517 5.961 14.505 1.00 0.00 C ATOM 347 C SER A 26 -2.223 4.463 14.443 1.00 0.00 C ATOM 348 O SER A 26 -1.158 4.044 13.988 1.00 0.00 O ATOM 349 CB SER A 26 -2.438 6.568 13.101 1.00 0.00 C ATOM 350 OG SER A 26 -1.621 7.729 13.086 1.00 0.00 O ATOM 0 H SER A 26 -0.625 6.373 15.311 1.00 0.00 H new ATOM 0 HA SER A 26 -3.525 6.088 14.899 1.00 0.00 H new ATOM 0 HB2 SER A 26 -2.038 5.830 12.406 1.00 0.00 H new ATOM 0 HB3 SER A 26 -3.440 6.821 12.755 1.00 0.00 H new ATOM 0 HG SER A 26 -0.685 7.469 12.957 1.00 0.00 H new ATOM 356 N ALA A 27 -3.167 3.668 14.927 1.00 0.00 N ATOM 357 CA ALA A 27 -3.101 2.224 14.777 1.00 0.00 C ATOM 358 C ALA A 27 -3.713 1.842 13.441 1.00 0.00 C ATOM 359 O ALA A 27 -3.143 1.065 12.674 1.00 0.00 O ATOM 360 CB ALA A 27 -3.824 1.538 15.919 1.00 0.00 C ATOM 0 H ALA A 27 -3.990 4.002 15.429 1.00 0.00 H new ATOM 0 HA ALA A 27 -2.061 1.899 14.803 1.00 0.00 H new ATOM 0 HB1 ALA A 27 -3.764 0.457 15.790 1.00 0.00 H new ATOM 0 HB2 ALA A 27 -3.359 1.817 16.864 1.00 0.00 H new ATOM 0 HB3 ALA A 27 -4.870 1.846 15.925 1.00 0.00 H new ATOM 366 N SER A 28 -4.887 2.397 13.174 1.00 0.00 N ATOM 367 CA SER A 28 -5.472 2.339 11.852 1.00 0.00 C ATOM 368 C SER A 28 -4.797 3.392 10.981 1.00 0.00 C ATOM 369 O SER A 28 -5.195 4.561 10.969 1.00 0.00 O ATOM 370 CB SER A 28 -6.982 2.572 11.936 1.00 0.00 C ATOM 371 OG SER A 28 -7.476 2.196 13.212 1.00 0.00 O ATOM 0 H SER A 28 -5.452 2.894 13.863 1.00 0.00 H new ATOM 0 HA SER A 28 -5.316 1.355 11.410 1.00 0.00 H new ATOM 0 HB2 SER A 28 -7.204 3.623 11.749 1.00 0.00 H new ATOM 0 HB3 SER A 28 -7.488 1.997 11.160 1.00 0.00 H new ATOM 0 HG SER A 28 -8.443 2.353 13.248 1.00 0.00 H new ATOM 377 N LEU A 29 -3.765 2.968 10.271 1.00 0.00 N ATOM 378 CA LEU A 29 -2.883 3.885 9.566 1.00 0.00 C ATOM 379 C LEU A 29 -3.492 4.357 8.251 1.00 0.00 C ATOM 380 O LEU A 29 -4.363 3.699 7.676 1.00 0.00 O ATOM 381 CB LEU A 29 -1.525 3.223 9.300 1.00 0.00 C ATOM 382 CG LEU A 29 -1.232 1.952 10.105 1.00 0.00 C ATOM 383 CD1 LEU A 29 -0.827 0.819 9.180 1.00 0.00 C ATOM 384 CD2 LEU A 29 -0.140 2.215 11.129 1.00 0.00 C ATOM 0 H LEU A 29 -3.515 1.985 10.167 1.00 0.00 H new ATOM 0 HA LEU A 29 -2.743 4.757 10.205 1.00 0.00 H new ATOM 0 HB2 LEU A 29 -1.462 2.981 8.239 1.00 0.00 H new ATOM 0 HB3 LEU A 29 -0.741 3.951 9.508 1.00 0.00 H new ATOM 0 HG LEU A 29 -2.140 1.660 10.632 1.00 0.00 H new ATOM 0 HD11 LEU A 29 -0.623 -0.076 9.768 1.00 0.00 H new ATOM 0 HD12 LEU A 29 -1.636 0.615 8.479 1.00 0.00 H new ATOM 0 HD13 LEU A 29 0.069 1.103 8.628 1.00 0.00 H new ATOM 0 HD21 LEU A 29 0.057 1.303 11.693 1.00 0.00 H new ATOM 0 HD22 LEU A 29 0.770 2.529 10.618 1.00 0.00 H new ATOM 0 HD23 LEU A 29 -0.463 3.001 11.811 1.00 0.00 H new ATOM 396 N GLY A 30 -3.017 5.500 7.781 1.00 0.00 N ATOM 397 CA GLY A 30 -3.510 6.067 6.547 1.00 0.00 C ATOM 398 C GLY A 30 -2.560 5.810 5.398 1.00 0.00 C ATOM 399 O GLY A 30 -1.653 6.603 5.138 1.00 0.00 O ATOM 0 H GLY A 30 -2.290 6.049 8.240 1.00 0.00 H new ATOM 0 HA2 GLY A 30 -4.486 5.642 6.315 1.00 0.00 H new ATOM 0 HA3 GLY A 30 -3.651 7.141 6.670 1.00 0.00 H new ATOM 403 N CYS A 31 -2.760 4.688 4.729 1.00 0.00 N ATOM 404 CA CYS A 31 -1.918 4.294 3.615 1.00 0.00 C ATOM 405 C CYS A 31 -2.458 4.839 2.300 1.00 0.00 C ATOM 406 O CYS A 31 -3.642 4.695 1.994 1.00 0.00 O ATOM 407 CB CYS A 31 -1.832 2.767 3.542 1.00 0.00 C ATOM 408 SG CYS A 31 -0.318 2.059 4.272 1.00 0.00 S ATOM 0 H CYS A 31 -3.507 4.027 4.942 1.00 0.00 H new ATOM 0 HA CYS A 31 -0.924 4.710 3.777 1.00 0.00 H new ATOM 0 HB2 CYS A 31 -2.698 2.342 4.050 1.00 0.00 H new ATOM 0 HB3 CYS A 31 -1.894 2.462 2.497 1.00 0.00 H new ATOM 413 N VAL A 32 -1.593 5.486 1.536 1.00 0.00 N ATOM 414 CA VAL A 32 -1.941 5.926 0.193 1.00 0.00 C ATOM 415 C VAL A 32 -1.283 5.003 -0.822 1.00 0.00 C ATOM 416 O VAL A 32 -0.293 4.342 -0.500 1.00 0.00 O ATOM 417 CB VAL A 32 -1.503 7.385 -0.070 1.00 0.00 C ATOM 418 CG1 VAL A 32 -2.304 8.353 0.789 1.00 0.00 C ATOM 419 CG2 VAL A 32 -0.012 7.559 0.180 1.00 0.00 C ATOM 0 H VAL A 32 -0.642 5.719 1.823 1.00 0.00 H new ATOM 0 HA VAL A 32 -3.026 5.886 0.096 1.00 0.00 H new ATOM 0 HB VAL A 32 -1.701 7.611 -1.118 1.00 0.00 H new ATOM 0 HG11 VAL A 32 -1.979 9.374 0.587 1.00 0.00 H new ATOM 0 HG12 VAL A 32 -3.364 8.257 0.554 1.00 0.00 H new ATOM 0 HG13 VAL A 32 -2.144 8.123 1.842 1.00 0.00 H new ATOM 0 HG21 VAL A 32 0.271 8.594 -0.012 1.00 0.00 H new ATOM 0 HG22 VAL A 32 0.215 7.307 1.216 1.00 0.00 H new ATOM 0 HG23 VAL A 32 0.548 6.901 -0.485 1.00 0.00 H new ATOM 429 N VAL A 33 -1.833 4.934 -2.030 1.00 0.00 N ATOM 430 CA VAL A 33 -1.255 4.093 -3.070 1.00 0.00 C ATOM 431 C VAL A 33 0.171 4.536 -3.367 1.00 0.00 C ATOM 432 O VAL A 33 0.430 5.724 -3.577 1.00 0.00 O ATOM 433 CB VAL A 33 -2.097 4.109 -4.373 1.00 0.00 C ATOM 434 CG1 VAL A 33 -2.461 5.530 -4.779 1.00 0.00 C ATOM 435 CG2 VAL A 33 -1.365 3.394 -5.508 1.00 0.00 C ATOM 0 H VAL A 33 -2.670 5.445 -2.311 1.00 0.00 H new ATOM 0 HA VAL A 33 -1.252 3.069 -2.696 1.00 0.00 H new ATOM 0 HB VAL A 33 -3.023 3.570 -4.172 1.00 0.00 H new ATOM 0 HG11 VAL A 33 -3.051 5.507 -5.695 1.00 0.00 H new ATOM 0 HG12 VAL A 33 -3.043 5.998 -3.985 1.00 0.00 H new ATOM 0 HG13 VAL A 33 -1.550 6.105 -4.948 1.00 0.00 H new ATOM 0 HG21 VAL A 33 -1.977 3.420 -6.409 1.00 0.00 H new ATOM 0 HG22 VAL A 33 -0.415 3.893 -5.700 1.00 0.00 H new ATOM 0 HG23 VAL A 33 -1.179 2.358 -5.225 1.00 0.00 H new ATOM 445 N GLY A 34 1.092 3.588 -3.332 1.00 0.00 N ATOM 446 CA GLY A 34 2.472 3.889 -3.610 1.00 0.00 C ATOM 447 C GLY A 34 2.679 4.355 -5.033 1.00 0.00 C ATOM 448 O GLY A 34 2.234 3.701 -5.980 1.00 0.00 O ATOM 0 H GLY A 34 0.903 2.610 -3.114 1.00 0.00 H new ATOM 0 HA2 GLY A 34 2.820 4.660 -2.923 1.00 0.00 H new ATOM 0 HA3 GLY A 34 3.079 3.002 -3.428 1.00 0.00 H new ATOM 452 N VAL A 35 3.355 5.478 -5.187 1.00 0.00 N ATOM 453 CA VAL A 35 3.588 6.047 -6.501 1.00 0.00 C ATOM 454 C VAL A 35 4.732 5.323 -7.198 1.00 0.00 C ATOM 455 O VAL A 35 5.844 5.241 -6.674 1.00 0.00 O ATOM 456 CB VAL A 35 3.893 7.562 -6.437 1.00 0.00 C ATOM 457 CG1 VAL A 35 3.042 8.317 -7.447 1.00 0.00 C ATOM 458 CG2 VAL A 35 3.663 8.112 -5.033 1.00 0.00 C ATOM 0 H VAL A 35 3.753 6.015 -4.417 1.00 0.00 H new ATOM 0 HA VAL A 35 2.669 5.917 -7.072 1.00 0.00 H new ATOM 0 HB VAL A 35 4.945 7.704 -6.686 1.00 0.00 H new ATOM 0 HG11 VAL A 35 3.268 9.382 -7.390 1.00 0.00 H new ATOM 0 HG12 VAL A 35 3.260 7.953 -8.451 1.00 0.00 H new ATOM 0 HG13 VAL A 35 1.987 8.158 -7.225 1.00 0.00 H new ATOM 0 HG21 VAL A 35 3.886 9.179 -5.019 1.00 0.00 H new ATOM 0 HG22 VAL A 35 2.623 7.954 -4.746 1.00 0.00 H new ATOM 0 HG23 VAL A 35 4.316 7.596 -4.329 1.00 0.00 H new ATOM 468 N ILE A 36 4.446 4.796 -8.381 1.00 0.00 N ATOM 469 CA ILE A 36 5.415 4.006 -9.126 1.00 0.00 C ATOM 470 C ILE A 36 6.563 4.881 -9.617 1.00 0.00 C ATOM 471 O ILE A 36 6.375 5.746 -10.476 1.00 0.00 O ATOM 472 CB ILE A 36 4.756 3.298 -10.332 1.00 0.00 C ATOM 473 CG1 ILE A 36 3.556 2.465 -9.872 1.00 0.00 C ATOM 474 CG2 ILE A 36 5.770 2.429 -11.068 1.00 0.00 C ATOM 475 CD1 ILE A 36 2.386 2.515 -10.830 1.00 0.00 C ATOM 0 H ILE A 36 3.545 4.903 -8.847 1.00 0.00 H new ATOM 0 HA ILE A 36 5.805 3.248 -8.447 1.00 0.00 H new ATOM 0 HB ILE A 36 4.399 4.059 -11.026 1.00 0.00 H new ATOM 0 HG12 ILE A 36 3.869 1.429 -9.747 1.00 0.00 H new ATOM 0 HG13 ILE A 36 3.231 2.820 -8.894 1.00 0.00 H new ATOM 0 HG21 ILE A 36 5.285 1.940 -11.913 1.00 0.00 H new ATOM 0 HG22 ILE A 36 6.588 3.052 -11.430 1.00 0.00 H new ATOM 0 HG23 ILE A 36 6.163 1.673 -10.388 1.00 0.00 H new ATOM 0 HD11 ILE A 36 1.572 1.903 -10.442 1.00 0.00 H new ATOM 0 HD12 ILE A 36 2.047 3.545 -10.937 1.00 0.00 H new ATOM 0 HD13 ILE A 36 2.696 2.133 -11.803 1.00 0.00 H new ATOM 487 N GLY A 37 7.744 4.654 -9.067 1.00 0.00 N ATOM 488 CA GLY A 37 8.899 5.454 -9.422 1.00 0.00 C ATOM 489 C GLY A 37 9.327 6.355 -8.286 1.00 0.00 C ATOM 490 O GLY A 37 10.441 6.880 -8.280 1.00 0.00 O ATOM 0 H GLY A 37 7.926 3.926 -8.376 1.00 0.00 H new ATOM 0 HA2 GLY A 37 9.725 4.798 -9.697 1.00 0.00 H new ATOM 0 HA3 GLY A 37 8.667 6.059 -10.298 1.00 0.00 H new ATOM 494 N SER A 38 8.440 6.530 -7.320 1.00 0.00 N ATOM 495 CA SER A 38 8.725 7.352 -6.159 1.00 0.00 C ATOM 496 C SER A 38 9.343 6.504 -5.048 1.00 0.00 C ATOM 497 O SER A 38 9.476 5.284 -5.190 1.00 0.00 O ATOM 498 CB SER A 38 7.439 8.028 -5.682 1.00 0.00 C ATOM 499 OG SER A 38 6.775 8.670 -6.760 1.00 0.00 O ATOM 0 H SER A 38 7.511 6.110 -7.319 1.00 0.00 H new ATOM 0 HA SER A 38 9.445 8.124 -6.430 1.00 0.00 H new ATOM 0 HB2 SER A 38 6.779 7.286 -5.233 1.00 0.00 H new ATOM 0 HB3 SER A 38 7.673 8.758 -4.907 1.00 0.00 H new ATOM 0 HG SER A 38 6.279 9.445 -6.423 1.00 0.00 H new ATOM 505 N GLN A 39 9.713 7.143 -3.947 1.00 0.00 N ATOM 506 CA GLN A 39 10.395 6.459 -2.858 1.00 0.00 C ATOM 507 C GLN A 39 9.806 6.872 -1.512 1.00 0.00 C ATOM 508 O GLN A 39 10.149 7.922 -0.970 1.00 0.00 O ATOM 509 CB GLN A 39 11.893 6.773 -2.892 1.00 0.00 C ATOM 510 CG GLN A 39 12.758 5.671 -2.307 1.00 0.00 C ATOM 511 CD GLN A 39 14.012 5.419 -3.119 1.00 0.00 C ATOM 512 OE1 GLN A 39 14.145 4.385 -3.776 1.00 0.00 O ATOM 513 NE2 GLN A 39 14.942 6.360 -3.078 1.00 0.00 N ATOM 0 H GLN A 39 9.552 8.137 -3.784 1.00 0.00 H new ATOM 0 HA GLN A 39 10.254 5.386 -2.985 1.00 0.00 H new ATOM 0 HB2 GLN A 39 12.195 6.951 -3.924 1.00 0.00 H new ATOM 0 HB3 GLN A 39 12.075 7.697 -2.342 1.00 0.00 H new ATOM 0 HG2 GLN A 39 13.037 5.937 -1.287 1.00 0.00 H new ATOM 0 HG3 GLN A 39 12.177 4.751 -2.249 1.00 0.00 H new ATOM 0 HE21 GLN A 39 14.792 7.201 -2.521 1.00 0.00 H new ATOM 0 HE22 GLN A 39 15.809 6.244 -3.603 1.00 0.00 H new ATOM 522 N CYS A 40 8.916 6.046 -0.983 1.00 0.00 N ATOM 523 CA CYS A 40 8.283 6.324 0.300 1.00 0.00 C ATOM 524 C CYS A 40 9.219 5.949 1.444 1.00 0.00 C ATOM 525 O CYS A 40 9.744 4.831 1.489 1.00 0.00 O ATOM 526 CB CYS A 40 6.962 5.558 0.430 1.00 0.00 C ATOM 527 SG CYS A 40 5.608 6.216 -0.601 1.00 0.00 S ATOM 0 H CYS A 40 8.615 5.176 -1.422 1.00 0.00 H new ATOM 0 HA CYS A 40 8.071 7.392 0.352 1.00 0.00 H new ATOM 0 HB2 CYS A 40 7.132 4.515 0.163 1.00 0.00 H new ATOM 0 HB3 CYS A 40 6.648 5.573 1.474 1.00 0.00 H new ATOM 532 N GLY A 41 9.440 6.890 2.351 1.00 0.00 N ATOM 533 CA GLY A 41 10.317 6.647 3.476 1.00 0.00 C ATOM 534 C GLY A 41 9.566 6.540 4.788 1.00 0.00 C ATOM 535 O GLY A 41 10.179 6.467 5.854 1.00 0.00 O ATOM 0 H GLY A 41 9.025 7.821 2.326 1.00 0.00 H new ATOM 0 HA2 GLY A 41 10.875 5.726 3.305 1.00 0.00 H new ATOM 0 HA3 GLY A 41 11.047 7.454 3.544 1.00 0.00 H new ATOM 539 N ALA A 42 8.240 6.539 4.716 1.00 0.00 N ATOM 540 CA ALA A 42 7.418 6.391 5.908 1.00 0.00 C ATOM 541 C ALA A 42 7.085 4.921 6.128 1.00 0.00 C ATOM 542 O ALA A 42 7.927 4.047 5.911 1.00 0.00 O ATOM 543 CB ALA A 42 6.149 7.228 5.791 1.00 0.00 C ATOM 0 H ALA A 42 7.714 6.639 3.848 1.00 0.00 H new ATOM 0 HA ALA A 42 7.977 6.752 6.771 1.00 0.00 H new ATOM 0 HB1 ALA A 42 5.547 7.104 6.691 1.00 0.00 H new ATOM 0 HB2 ALA A 42 6.415 8.278 5.674 1.00 0.00 H new ATOM 0 HB3 ALA A 42 5.576 6.900 4.924 1.00 0.00 H new ATOM 549 N SER A 43 5.865 4.641 6.552 1.00 0.00 N ATOM 550 CA SER A 43 5.436 3.271 6.736 1.00 0.00 C ATOM 551 C SER A 43 4.981 2.681 5.405 1.00 0.00 C ATOM 552 O SER A 43 3.792 2.645 5.097 1.00 0.00 O ATOM 553 CB SER A 43 4.313 3.212 7.770 1.00 0.00 C ATOM 554 OG SER A 43 4.527 4.166 8.797 1.00 0.00 O ATOM 0 H SER A 43 5.159 5.343 6.774 1.00 0.00 H new ATOM 0 HA SER A 43 6.274 2.678 7.103 1.00 0.00 H new ATOM 0 HB2 SER A 43 3.355 3.401 7.285 1.00 0.00 H new ATOM 0 HB3 SER A 43 4.261 2.212 8.201 1.00 0.00 H new ATOM 0 HG SER A 43 3.797 4.114 9.449 1.00 0.00 H new ATOM 560 N VAL A 44 5.940 2.256 4.599 1.00 0.00 N ATOM 561 CA VAL A 44 5.632 1.594 3.343 1.00 0.00 C ATOM 562 C VAL A 44 5.275 0.133 3.616 1.00 0.00 C ATOM 563 O VAL A 44 6.128 -0.672 3.995 1.00 0.00 O ATOM 564 CB VAL A 44 6.807 1.698 2.335 1.00 0.00 C ATOM 565 CG1 VAL A 44 8.145 1.430 3.014 1.00 0.00 C ATOM 566 CG2 VAL A 44 6.601 0.757 1.154 1.00 0.00 C ATOM 0 H VAL A 44 6.936 2.357 4.792 1.00 0.00 H new ATOM 0 HA VAL A 44 4.779 2.096 2.887 1.00 0.00 H new ATOM 0 HB VAL A 44 6.824 2.719 1.955 1.00 0.00 H new ATOM 0 HG11 VAL A 44 8.948 1.510 2.281 1.00 0.00 H new ATOM 0 HG12 VAL A 44 8.303 2.161 3.807 1.00 0.00 H new ATOM 0 HG13 VAL A 44 8.142 0.427 3.440 1.00 0.00 H new ATOM 0 HG21 VAL A 44 7.439 0.851 0.464 1.00 0.00 H new ATOM 0 HG22 VAL A 44 6.540 -0.270 1.514 1.00 0.00 H new ATOM 0 HG23 VAL A 44 5.676 1.017 0.639 1.00 0.00 H new ATOM 576 N LYS A 45 4.006 -0.195 3.455 1.00 0.00 N ATOM 577 CA LYS A 45 3.514 -1.510 3.820 1.00 0.00 C ATOM 578 C LYS A 45 2.866 -2.212 2.637 1.00 0.00 C ATOM 579 O LYS A 45 2.761 -1.663 1.539 1.00 0.00 O ATOM 580 CB LYS A 45 2.500 -1.414 4.965 1.00 0.00 C ATOM 581 CG LYS A 45 2.556 -0.113 5.749 1.00 0.00 C ATOM 582 CD LYS A 45 3.168 -0.312 7.126 1.00 0.00 C ATOM 583 CE LYS A 45 2.263 -1.142 8.020 1.00 0.00 C ATOM 584 NZ LYS A 45 2.996 -2.263 8.664 1.00 0.00 N ATOM 0 H LYS A 45 3.297 0.432 3.074 1.00 0.00 H new ATOM 0 HA LYS A 45 4.375 -2.094 4.145 1.00 0.00 H new ATOM 0 HB2 LYS A 45 1.497 -1.534 4.556 1.00 0.00 H new ATOM 0 HB3 LYS A 45 2.666 -2.244 5.651 1.00 0.00 H new ATOM 0 HG2 LYS A 45 3.140 0.621 5.194 1.00 0.00 H new ATOM 0 HG3 LYS A 45 1.550 0.293 5.853 1.00 0.00 H new ATOM 0 HD2 LYS A 45 4.136 -0.804 7.028 1.00 0.00 H new ATOM 0 HD3 LYS A 45 3.349 0.658 7.589 1.00 0.00 H new ATOM 0 HE2 LYS A 45 1.828 -0.504 8.789 1.00 0.00 H new ATOM 0 HE3 LYS A 45 1.437 -1.540 7.431 1.00 0.00 H new ATOM 0 HZ1 LYS A 45 2.677 -2.367 9.648 1.00 0.00 H new ATOM 0 HZ2 LYS A 45 2.809 -3.144 8.145 1.00 0.00 H new ATOM 0 HZ3 LYS A 45 4.017 -2.064 8.651 1.00 0.00 H new ATOM 598 N CYS A 46 2.431 -3.431 2.889 1.00 0.00 N ATOM 599 CA CYS A 46 1.721 -4.225 1.904 1.00 0.00 C ATOM 600 C CYS A 46 0.456 -4.764 2.537 1.00 0.00 C ATOM 601 O CYS A 46 0.514 -5.604 3.436 1.00 0.00 O ATOM 602 CB CYS A 46 2.593 -5.379 1.417 1.00 0.00 C ATOM 603 SG CYS A 46 4.000 -4.868 0.383 1.00 0.00 S ATOM 0 H CYS A 46 2.560 -3.901 3.785 1.00 0.00 H new ATOM 0 HA CYS A 46 1.473 -3.601 1.045 1.00 0.00 H new ATOM 0 HB2 CYS A 46 2.972 -5.923 2.282 1.00 0.00 H new ATOM 0 HB3 CYS A 46 1.973 -6.073 0.850 1.00 0.00 H new ATOM 608 N CYS A 47 -0.682 -4.282 2.079 1.00 0.00 N ATOM 609 CA CYS A 47 -1.938 -4.592 2.737 1.00 0.00 C ATOM 610 C CYS A 47 -2.912 -5.262 1.791 1.00 0.00 C ATOM 611 O CYS A 47 -2.921 -4.985 0.590 1.00 0.00 O ATOM 612 CB CYS A 47 -2.559 -3.321 3.309 1.00 0.00 C ATOM 613 SG CYS A 47 -2.509 -3.238 5.124 1.00 0.00 S ATOM 0 H CYS A 47 -0.765 -3.679 1.261 1.00 0.00 H new ATOM 0 HA CYS A 47 -1.725 -5.288 3.548 1.00 0.00 H new ATOM 0 HB2 CYS A 47 -2.037 -2.456 2.900 1.00 0.00 H new ATOM 0 HB3 CYS A 47 -3.596 -3.253 2.979 1.00 0.00 H new ATOM 618 N LYS A 48 -3.718 -6.158 2.342 1.00 0.00 N ATOM 619 CA LYS A 48 -4.760 -6.819 1.582 1.00 0.00 C ATOM 620 C LYS A 48 -5.951 -5.893 1.430 1.00 0.00 C ATOM 621 O LYS A 48 -6.587 -5.512 2.413 1.00 0.00 O ATOM 622 CB LYS A 48 -5.204 -8.115 2.269 1.00 0.00 C ATOM 623 CG LYS A 48 -5.589 -9.233 1.304 1.00 0.00 C ATOM 624 CD LYS A 48 -6.760 -8.859 0.416 1.00 0.00 C ATOM 625 CE LYS A 48 -6.443 -9.125 -1.047 1.00 0.00 C ATOM 626 NZ LYS A 48 -7.631 -9.600 -1.799 1.00 0.00 N ATOM 0 H LYS A 48 -3.666 -6.443 3.320 1.00 0.00 H new ATOM 0 HA LYS A 48 -4.359 -7.068 0.600 1.00 0.00 H new ATOM 0 HB2 LYS A 48 -4.398 -8.467 2.912 1.00 0.00 H new ATOM 0 HB3 LYS A 48 -6.055 -7.898 2.914 1.00 0.00 H new ATOM 0 HG2 LYS A 48 -4.730 -9.482 0.681 1.00 0.00 H new ATOM 0 HG3 LYS A 48 -5.840 -10.128 1.873 1.00 0.00 H new ATOM 0 HD2 LYS A 48 -7.641 -9.430 0.710 1.00 0.00 H new ATOM 0 HD3 LYS A 48 -7.003 -7.805 0.553 1.00 0.00 H new ATOM 0 HE2 LYS A 48 -6.065 -8.212 -1.507 1.00 0.00 H new ATOM 0 HE3 LYS A 48 -5.650 -9.869 -1.116 1.00 0.00 H new ATOM 0 HZ1 LYS A 48 -7.600 -9.227 -2.769 1.00 0.00 H new ATOM 0 HZ2 LYS A 48 -7.631 -10.640 -1.828 1.00 0.00 H new ATOM 0 HZ3 LYS A 48 -8.496 -9.267 -1.328 1.00 0.00 H new ATOM 640 N ASP A 49 -6.228 -5.522 0.197 1.00 0.00 N ATOM 641 CA ASP A 49 -7.417 -4.761 -0.122 1.00 0.00 C ATOM 642 C ASP A 49 -7.907 -5.153 -1.507 1.00 0.00 C ATOM 643 O ASP A 49 -7.187 -5.025 -2.502 1.00 0.00 O ATOM 644 CB ASP A 49 -7.149 -3.249 -0.018 1.00 0.00 C ATOM 645 CG ASP A 49 -7.445 -2.488 -1.296 1.00 0.00 C ATOM 646 OD1 ASP A 49 -8.629 -2.377 -1.678 1.00 0.00 O ATOM 647 OD2 ASP A 49 -6.480 -2.015 -1.934 1.00 0.00 O ATOM 0 H ASP A 49 -5.639 -5.738 -0.607 1.00 0.00 H new ATOM 0 HA ASP A 49 -8.199 -4.992 0.601 1.00 0.00 H new ATOM 0 HB2 ASP A 49 -7.755 -2.836 0.789 1.00 0.00 H new ATOM 0 HB3 ASP A 49 -6.105 -3.092 0.255 1.00 0.00 H new ATOM 652 N ASP A 50 -9.097 -5.717 -1.549 1.00 0.00 N ATOM 653 CA ASP A 50 -9.753 -6.013 -2.814 1.00 0.00 C ATOM 654 C ASP A 50 -11.009 -5.166 -2.976 1.00 0.00 C ATOM 655 O ASP A 50 -12.050 -5.651 -3.417 1.00 0.00 O ATOM 656 CB ASP A 50 -10.103 -7.504 -2.938 1.00 0.00 C ATOM 657 CG ASP A 50 -10.647 -8.110 -1.658 1.00 0.00 C ATOM 658 OD1 ASP A 50 -9.838 -8.444 -0.765 1.00 0.00 O ATOM 659 OD2 ASP A 50 -11.875 -8.296 -1.555 1.00 0.00 O ATOM 0 H ASP A 50 -9.633 -5.981 -0.723 1.00 0.00 H new ATOM 0 HA ASP A 50 -9.051 -5.767 -3.610 1.00 0.00 H new ATOM 0 HB2 ASP A 50 -10.840 -7.631 -3.731 1.00 0.00 H new ATOM 0 HB3 ASP A 50 -9.212 -8.054 -3.240 1.00 0.00 H new ATOM 664 N VAL A 51 -10.907 -3.893 -2.612 1.00 0.00 N ATOM 665 CA VAL A 51 -12.015 -2.960 -2.772 1.00 0.00 C ATOM 666 C VAL A 51 -12.043 -2.413 -4.199 1.00 0.00 C ATOM 667 O VAL A 51 -11.027 -1.945 -4.715 1.00 0.00 O ATOM 668 CB VAL A 51 -11.920 -1.781 -1.775 1.00 0.00 C ATOM 669 CG1 VAL A 51 -13.171 -0.918 -1.830 1.00 0.00 C ATOM 670 CG2 VAL A 51 -11.694 -2.289 -0.360 1.00 0.00 C ATOM 0 H VAL A 51 -10.067 -3.483 -2.204 1.00 0.00 H new ATOM 0 HA VAL A 51 -12.934 -3.509 -2.567 1.00 0.00 H new ATOM 0 HB VAL A 51 -11.067 -1.168 -2.065 1.00 0.00 H new ATOM 0 HG11 VAL A 51 -13.078 -0.097 -1.119 1.00 0.00 H new ATOM 0 HG12 VAL A 51 -13.292 -0.516 -2.836 1.00 0.00 H new ATOM 0 HG13 VAL A 51 -14.041 -1.522 -1.574 1.00 0.00 H new ATOM 0 HG21 VAL A 51 -11.630 -1.443 0.324 1.00 0.00 H new ATOM 0 HG22 VAL A 51 -12.525 -2.931 -0.067 1.00 0.00 H new ATOM 0 HG23 VAL A 51 -10.765 -2.858 -0.322 1.00 0.00 H new ATOM 680 N THR A 52 -13.202 -2.476 -4.837 1.00 0.00 N ATOM 681 CA THR A 52 -13.333 -2.041 -6.221 1.00 0.00 C ATOM 682 C THR A 52 -13.912 -0.629 -6.310 1.00 0.00 C ATOM 683 O THR A 52 -14.662 -0.308 -7.232 1.00 0.00 O ATOM 684 CB THR A 52 -14.219 -3.016 -7.014 1.00 0.00 C ATOM 685 OG1 THR A 52 -14.760 -4.009 -6.130 1.00 0.00 O ATOM 686 CG2 THR A 52 -13.421 -3.696 -8.115 1.00 0.00 C ATOM 0 H THR A 52 -14.065 -2.824 -4.420 1.00 0.00 H new ATOM 0 HA THR A 52 -12.333 -2.031 -6.656 1.00 0.00 H new ATOM 0 HB THR A 52 -15.031 -2.450 -7.471 1.00 0.00 H new ATOM 0 HG1 THR A 52 -15.325 -4.627 -6.639 1.00 0.00 H new ATOM 0 HG21 THR A 52 -14.068 -4.381 -8.663 1.00 0.00 H new ATOM 0 HG22 THR A 52 -13.029 -2.943 -8.798 1.00 0.00 H new ATOM 0 HG23 THR A 52 -12.594 -4.252 -7.674 1.00 0.00 H new ATOM 694 N ASN A 53 -13.555 0.209 -5.346 1.00 0.00 N ATOM 695 CA ASN A 53 -14.029 1.587 -5.312 1.00 0.00 C ATOM 696 C ASN A 53 -12.989 2.475 -4.648 1.00 0.00 C ATOM 697 O ASN A 53 -12.458 2.130 -3.594 1.00 0.00 O ATOM 698 CB ASN A 53 -15.356 1.689 -4.551 1.00 0.00 C ATOM 699 CG ASN A 53 -16.533 1.992 -5.461 1.00 0.00 C ATOM 700 OD1 ASN A 53 -17.228 1.085 -5.916 1.00 0.00 O ATOM 701 ND2 ASN A 53 -16.779 3.267 -5.718 1.00 0.00 N ATOM 0 H ASN A 53 -12.937 -0.042 -4.575 1.00 0.00 H new ATOM 0 HA ASN A 53 -14.191 1.919 -6.337 1.00 0.00 H new ATOM 0 HB2 ASN A 53 -15.541 0.753 -4.025 1.00 0.00 H new ATOM 0 HB3 ASN A 53 -15.277 2.470 -3.794 1.00 0.00 H new ATOM 0 HD21 ASN A 53 -17.567 3.525 -6.312 1.00 0.00 H new ATOM 0 HD22 ASN A 53 -16.180 3.992 -5.322 1.00 0.00 H new ATOM 708 N THR A 54 -12.682 3.604 -5.272 1.00 0.00 N ATOM 709 CA THR A 54 -11.705 4.535 -4.727 1.00 0.00 C ATOM 710 C THR A 54 -12.235 5.964 -4.753 1.00 0.00 C ATOM 711 O THR A 54 -12.987 6.343 -5.651 1.00 0.00 O ATOM 712 CB THR A 54 -10.379 4.465 -5.507 1.00 0.00 C ATOM 713 OG1 THR A 54 -10.378 3.308 -6.354 1.00 0.00 O ATOM 714 CG2 THR A 54 -9.193 4.404 -4.558 1.00 0.00 C ATOM 0 H THR A 54 -13.096 3.897 -6.157 1.00 0.00 H new ATOM 0 HA THR A 54 -11.523 4.244 -3.692 1.00 0.00 H new ATOM 0 HB THR A 54 -10.289 5.366 -6.114 1.00 0.00 H new ATOM 0 HG1 THR A 54 -9.534 3.267 -6.850 1.00 0.00 H new ATOM 0 HG21 THR A 54 -8.269 4.355 -5.134 1.00 0.00 H new ATOM 0 HG22 THR A 54 -9.183 5.295 -3.930 1.00 0.00 H new ATOM 0 HG23 THR A 54 -9.276 3.518 -3.929 1.00 0.00 H new ATOM 722 N GLY A 55 -11.845 6.745 -3.763 1.00 0.00 N ATOM 723 CA GLY A 55 -12.292 8.117 -3.670 1.00 0.00 C ATOM 724 C GLY A 55 -12.005 8.688 -2.302 1.00 0.00 C ATOM 725 O GLY A 55 -12.877 9.269 -1.661 1.00 0.00 O ATOM 0 H GLY A 55 -11.220 6.450 -3.013 1.00 0.00 H new ATOM 0 HA2 GLY A 55 -11.794 8.718 -4.431 1.00 0.00 H new ATOM 0 HA3 GLY A 55 -13.362 8.169 -3.873 1.00 0.00 H new ATOM 729 N ASN A 56 -10.773 8.509 -1.853 1.00 0.00 N ATOM 730 CA ASN A 56 -10.374 8.907 -0.518 1.00 0.00 C ATOM 731 C ASN A 56 -9.026 9.609 -0.557 1.00 0.00 C ATOM 732 O ASN A 56 -8.278 9.473 -1.523 1.00 0.00 O ATOM 733 CB ASN A 56 -10.279 7.669 0.376 1.00 0.00 C ATOM 734 CG ASN A 56 -11.252 7.702 1.533 1.00 0.00 C ATOM 735 OD1 ASN A 56 -12.408 8.093 1.384 1.00 0.00 O ATOM 736 ND2 ASN A 56 -10.789 7.292 2.695 1.00 0.00 N ATOM 0 H ASN A 56 -10.026 8.085 -2.403 1.00 0.00 H new ATOM 0 HA ASN A 56 -11.119 9.595 -0.117 1.00 0.00 H new ATOM 0 HB2 ASN A 56 -10.466 6.779 -0.224 1.00 0.00 H new ATOM 0 HB3 ASN A 56 -9.264 7.584 0.764 1.00 0.00 H new ATOM 0 HD21 ASN A 56 -11.396 7.291 3.514 1.00 0.00 H new ATOM 0 HD22 ASN A 56 -9.823 6.975 2.776 1.00 0.00 H new ATOM 743 N SER A 57 -8.715 10.347 0.496 1.00 0.00 N ATOM 744 CA SER A 57 -7.420 10.998 0.625 1.00 0.00 C ATOM 745 C SER A 57 -6.374 9.979 1.072 1.00 0.00 C ATOM 746 O SER A 57 -5.172 10.163 0.879 1.00 0.00 O ATOM 747 CB SER A 57 -7.533 12.135 1.638 1.00 0.00 C ATOM 748 OG SER A 57 -8.823 12.142 2.232 1.00 0.00 O ATOM 0 H SER A 57 -9.347 10.511 1.280 1.00 0.00 H new ATOM 0 HA SER A 57 -7.111 11.408 -0.336 1.00 0.00 H new ATOM 0 HB2 SER A 57 -6.771 12.021 2.409 1.00 0.00 H new ATOM 0 HB3 SER A 57 -7.347 13.089 1.145 1.00 0.00 H new ATOM 0 HG SER A 57 -8.881 12.875 2.880 1.00 0.00 H new ATOM 754 N GLY A 58 -6.861 8.900 1.660 1.00 0.00 N ATOM 755 CA GLY A 58 -6.016 7.809 2.082 1.00 0.00 C ATOM 756 C GLY A 58 -6.853 6.622 2.495 1.00 0.00 C ATOM 757 O GLY A 58 -8.044 6.774 2.770 1.00 0.00 O ATOM 0 H GLY A 58 -7.852 8.761 1.856 1.00 0.00 H new ATOM 0 HA2 GLY A 58 -5.346 7.525 1.270 1.00 0.00 H new ATOM 0 HA3 GLY A 58 -5.390 8.127 2.915 1.00 0.00 H new ATOM 761 N LEU A 59 -6.257 5.445 2.521 1.00 0.00 N ATOM 762 CA LEU A 59 -6.978 4.249 2.916 1.00 0.00 C ATOM 763 C LEU A 59 -6.716 3.940 4.382 1.00 0.00 C ATOM 764 O LEU A 59 -5.565 3.803 4.801 1.00 0.00 O ATOM 765 CB LEU A 59 -6.574 3.059 2.042 1.00 0.00 C ATOM 766 CG LEU A 59 -7.742 2.264 1.452 1.00 0.00 C ATOM 767 CD1 LEU A 59 -7.512 1.989 -0.024 1.00 0.00 C ATOM 768 CD2 LEU A 59 -7.943 0.962 2.216 1.00 0.00 C ATOM 0 H LEU A 59 -5.279 5.291 2.274 1.00 0.00 H new ATOM 0 HA LEU A 59 -8.044 4.428 2.778 1.00 0.00 H new ATOM 0 HB2 LEU A 59 -5.952 3.423 1.224 1.00 0.00 H new ATOM 0 HB3 LEU A 59 -5.958 2.384 2.636 1.00 0.00 H new ATOM 0 HG LEU A 59 -8.648 2.862 1.550 1.00 0.00 H new ATOM 0 HD11 LEU A 59 -8.353 1.423 -0.424 1.00 0.00 H new ATOM 0 HD12 LEU A 59 -7.422 2.934 -0.560 1.00 0.00 H new ATOM 0 HD13 LEU A 59 -6.595 1.413 -0.148 1.00 0.00 H new ATOM 0 HD21 LEU A 59 -8.777 0.411 1.782 1.00 0.00 H new ATOM 0 HD22 LEU A 59 -7.037 0.359 2.152 1.00 0.00 H new ATOM 0 HD23 LEU A 59 -8.159 1.183 3.261 1.00 0.00 H new ATOM 780 N ILE A 60 -7.787 3.847 5.154 1.00 0.00 N ATOM 781 CA ILE A 60 -7.680 3.552 6.572 1.00 0.00 C ATOM 782 C ILE A 60 -7.460 2.060 6.778 1.00 0.00 C ATOM 783 O ILE A 60 -8.404 1.271 6.798 1.00 0.00 O ATOM 784 CB ILE A 60 -8.937 4.000 7.348 1.00 0.00 C ATOM 785 CG1 ILE A 60 -9.357 5.411 6.924 1.00 0.00 C ATOM 786 CG2 ILE A 60 -8.686 3.950 8.849 1.00 0.00 C ATOM 787 CD1 ILE A 60 -10.734 5.472 6.298 1.00 0.00 C ATOM 0 H ILE A 60 -8.743 3.972 4.820 1.00 0.00 H new ATOM 0 HA ILE A 60 -6.828 4.110 6.960 1.00 0.00 H new ATOM 0 HB ILE A 60 -9.748 3.312 7.111 1.00 0.00 H new ATOM 0 HG12 ILE A 60 -9.334 6.065 7.796 1.00 0.00 H new ATOM 0 HG13 ILE A 60 -8.627 5.800 6.214 1.00 0.00 H new ATOM 0 HG21 ILE A 60 -9.583 4.269 9.379 1.00 0.00 H new ATOM 0 HG22 ILE A 60 -8.435 2.931 9.142 1.00 0.00 H new ATOM 0 HG23 ILE A 60 -7.860 4.614 9.102 1.00 0.00 H new ATOM 0 HD11 ILE A 60 -10.963 6.502 6.023 1.00 0.00 H new ATOM 0 HD12 ILE A 60 -10.757 4.845 5.407 1.00 0.00 H new ATOM 0 HD13 ILE A 60 -11.475 5.114 7.013 1.00 0.00 H new ATOM 799 N ILE A 61 -6.204 1.684 6.907 1.00 0.00 N ATOM 800 CA ILE A 61 -5.834 0.293 7.061 1.00 0.00 C ATOM 801 C ILE A 61 -5.709 -0.051 8.544 1.00 0.00 C ATOM 802 O ILE A 61 -5.070 0.671 9.306 1.00 0.00 O ATOM 803 CB ILE A 61 -4.519 0.002 6.295 1.00 0.00 C ATOM 804 CG1 ILE A 61 -4.836 -0.638 4.943 1.00 0.00 C ATOM 805 CG2 ILE A 61 -3.574 -0.887 7.087 1.00 0.00 C ATOM 806 CD1 ILE A 61 -4.444 0.219 3.761 1.00 0.00 C ATOM 0 H ILE A 61 -5.415 2.331 6.908 1.00 0.00 H new ATOM 0 HA ILE A 61 -6.613 -0.339 6.634 1.00 0.00 H new ATOM 0 HB ILE A 61 -4.012 0.955 6.142 1.00 0.00 H new ATOM 0 HG12 ILE A 61 -4.320 -1.596 4.874 1.00 0.00 H new ATOM 0 HG13 ILE A 61 -5.904 -0.847 4.891 1.00 0.00 H new ATOM 0 HG21 ILE A 61 -2.667 -1.062 6.508 1.00 0.00 H new ATOM 0 HG22 ILE A 61 -3.316 -0.398 8.026 1.00 0.00 H new ATOM 0 HG23 ILE A 61 -4.060 -1.840 7.296 1.00 0.00 H new ATOM 0 HD11 ILE A 61 -4.698 -0.299 2.836 1.00 0.00 H new ATOM 0 HD12 ILE A 61 -4.980 1.167 3.805 1.00 0.00 H new ATOM 0 HD13 ILE A 61 -3.371 0.407 3.788 1.00 0.00 H new ATOM 818 N ASN A 62 -6.327 -1.155 8.951 1.00 0.00 N ATOM 819 CA ASN A 62 -6.401 -1.510 10.367 1.00 0.00 C ATOM 820 C ASN A 62 -5.172 -2.291 10.826 1.00 0.00 C ATOM 821 O ASN A 62 -5.198 -2.928 11.882 1.00 0.00 O ATOM 822 CB ASN A 62 -7.667 -2.322 10.651 1.00 0.00 C ATOM 823 CG ASN A 62 -8.141 -2.167 12.086 1.00 0.00 C ATOM 824 OD1 ASN A 62 -7.753 -1.231 12.787 1.00 0.00 O ATOM 825 ND2 ASN A 62 -8.983 -3.087 12.531 1.00 0.00 N ATOM 0 H ASN A 62 -6.783 -1.818 8.324 1.00 0.00 H new ATOM 0 HA ASN A 62 -6.434 -0.577 10.930 1.00 0.00 H new ATOM 0 HB2 ASN A 62 -8.459 -2.005 9.973 1.00 0.00 H new ATOM 0 HB3 ASN A 62 -7.474 -3.375 10.446 1.00 0.00 H new ATOM 0 HD21 ASN A 62 -9.335 -3.036 13.487 1.00 0.00 H new ATOM 0 HD22 ASN A 62 -9.280 -3.846 11.918 1.00 0.00 H new ATOM 832 N ALA A 63 -4.116 -2.252 10.015 1.00 0.00 N ATOM 833 CA ALA A 63 -2.822 -2.869 10.334 1.00 0.00 C ATOM 834 C ALA A 63 -2.863 -4.399 10.242 1.00 0.00 C ATOM 835 O ALA A 63 -1.975 -5.010 9.650 1.00 0.00 O ATOM 836 CB ALA A 63 -2.323 -2.429 11.707 1.00 0.00 C ATOM 0 H ALA A 63 -4.131 -1.787 9.107 1.00 0.00 H new ATOM 0 HA ALA A 63 -2.118 -2.518 9.579 1.00 0.00 H new ATOM 0 HB1 ALA A 63 -1.363 -2.903 11.914 1.00 0.00 H new ATOM 0 HB2 ALA A 63 -2.204 -1.346 11.721 1.00 0.00 H new ATOM 0 HB3 ALA A 63 -3.045 -2.724 12.468 1.00 0.00 H new ATOM 842 N ALA A 64 -3.910 -5.007 10.796 1.00 0.00 N ATOM 843 CA ALA A 64 -4.031 -6.465 10.855 1.00 0.00 C ATOM 844 C ALA A 64 -4.432 -7.066 9.505 1.00 0.00 C ATOM 845 O ALA A 64 -4.917 -8.198 9.434 1.00 0.00 O ATOM 846 CB ALA A 64 -5.036 -6.859 11.929 1.00 0.00 C ATOM 0 H ALA A 64 -4.695 -4.508 11.215 1.00 0.00 H new ATOM 0 HA ALA A 64 -3.050 -6.868 11.108 1.00 0.00 H new ATOM 0 HB1 ALA A 64 -5.121 -7.945 11.967 1.00 0.00 H new ATOM 0 HB2 ALA A 64 -4.699 -6.487 12.897 1.00 0.00 H new ATOM 0 HB3 ALA A 64 -6.009 -6.427 11.693 1.00 0.00 H new ATOM 852 N ASN A 65 -4.246 -6.303 8.441 1.00 0.00 N ATOM 853 CA ASN A 65 -4.464 -6.797 7.087 1.00 0.00 C ATOM 854 C ASN A 65 -3.227 -6.511 6.242 1.00 0.00 C ATOM 855 O ASN A 65 -3.263 -6.550 5.012 1.00 0.00 O ATOM 856 CB ASN A 65 -5.716 -6.158 6.457 1.00 0.00 C ATOM 857 CG ASN A 65 -5.584 -4.659 6.251 1.00 0.00 C ATOM 858 OD1 ASN A 65 -5.243 -3.916 7.177 1.00 0.00 O ATOM 859 ND2 ASN A 65 -5.868 -4.200 5.041 1.00 0.00 N ATOM 0 H ASN A 65 -3.942 -5.330 8.488 1.00 0.00 H new ATOM 0 HA ASN A 65 -4.633 -7.873 7.126 1.00 0.00 H new ATOM 0 HB2 ASN A 65 -5.915 -6.634 5.497 1.00 0.00 H new ATOM 0 HB3 ASN A 65 -6.577 -6.356 7.095 1.00 0.00 H new ATOM 0 HD21 ASN A 65 -5.809 -3.200 4.848 1.00 0.00 H new ATOM 0 HD22 ASN A 65 -6.146 -4.846 4.303 1.00 0.00 H new ATOM 866 N CYS A 66 -2.126 -6.226 6.928 1.00 0.00 N ATOM 867 CA CYS A 66 -0.860 -5.922 6.277 1.00 0.00 C ATOM 868 C CYS A 66 0.162 -7.006 6.586 1.00 0.00 C ATOM 869 O CYS A 66 0.217 -7.512 7.707 1.00 0.00 O ATOM 870 CB CYS A 66 -0.334 -4.568 6.762 1.00 0.00 C ATOM 871 SG CYS A 66 -0.530 -3.209 5.564 1.00 0.00 S ATOM 0 H CYS A 66 -2.087 -6.200 7.947 1.00 0.00 H new ATOM 0 HA CYS A 66 -1.022 -5.881 5.200 1.00 0.00 H new ATOM 0 HB2 CYS A 66 -0.851 -4.301 7.684 1.00 0.00 H new ATOM 0 HB3 CYS A 66 0.723 -4.670 7.007 1.00 0.00 H new ATOM 876 N VAL A 67 0.959 -7.374 5.595 1.00 0.00 N ATOM 877 CA VAL A 67 2.022 -8.352 5.800 1.00 0.00 C ATOM 878 C VAL A 67 3.341 -7.653 6.093 1.00 0.00 C ATOM 879 O VAL A 67 4.232 -8.212 6.740 1.00 0.00 O ATOM 880 CB VAL A 67 2.210 -9.277 4.578 1.00 0.00 C ATOM 881 CG1 VAL A 67 1.285 -10.477 4.669 1.00 0.00 C ATOM 882 CG2 VAL A 67 1.989 -8.522 3.273 1.00 0.00 C ATOM 0 H VAL A 67 0.892 -7.013 4.643 1.00 0.00 H new ATOM 0 HA VAL A 67 1.722 -8.963 6.651 1.00 0.00 H new ATOM 0 HB VAL A 67 3.240 -9.634 4.584 1.00 0.00 H new ATOM 0 HG11 VAL A 67 1.432 -11.117 3.799 1.00 0.00 H new ATOM 0 HG12 VAL A 67 1.508 -11.040 5.575 1.00 0.00 H new ATOM 0 HG13 VAL A 67 0.250 -10.137 4.698 1.00 0.00 H new ATOM 0 HG21 VAL A 67 2.129 -9.201 2.432 1.00 0.00 H new ATOM 0 HG22 VAL A 67 0.976 -8.121 3.252 1.00 0.00 H new ATOM 0 HG23 VAL A 67 2.705 -7.703 3.201 1.00 0.00 H new ATOM 892 N ALA A 68 3.454 -6.420 5.625 1.00 0.00 N ATOM 893 CA ALA A 68 4.670 -5.645 5.791 1.00 0.00 C ATOM 894 C ALA A 68 4.369 -4.363 6.548 1.00 0.00 C ATOM 895 O ALA A 68 3.175 -4.016 6.655 1.00 0.00 O ATOM 896 CB ALA A 68 5.291 -5.335 4.434 1.00 0.00 C ATOM 897 OXT ALA A 68 5.321 -3.714 7.035 1.00 0.00 O ATOM 0 H ALA A 68 2.711 -5.933 5.124 1.00 0.00 H new ATOM 0 HA ALA A 68 5.386 -6.230 6.368 1.00 0.00 H new ATOM 0 HB1 ALA A 68 6.202 -4.753 4.575 1.00 0.00 H new ATOM 0 HB2 ALA A 68 5.531 -6.267 3.922 1.00 0.00 H new ATOM 0 HB3 ALA A 68 4.585 -4.763 3.833 1.00 0.00 H new TER 903 ALA A 68