USER MOD reduce.3.24.130724 H: found=0, std=0, add=604, rem=0, adj=18 USER MOD reduce.3.24.130724 removed 604 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 2 SER OG : rot 161:sc= 1.91 USER MOD Set 1.2: A 48 ASN : amide:sc= -0.237 K(o=1.7,f=-1.2!) USER MOD Single : A 1 ASN : amide:sc= -0.0505 K(o=-0.051,f=-0.97) USER MOD Single : A 1 ASN N :NH3+ -131:sc= 0.585 (180deg=-0.0599) USER MOD Single : A 3 SER OG : rot 180:sc= 0 USER MOD Single : A 4 LYS NZ :NH3+ -131:sc= 0.87 (180deg=-1.48!) USER MOD Single : A 5 CYS SG : rot 121:sc= -0.178 USER MOD Single : A 6 TYR OH : rot 180:sc= 0 USER MOD Single : A 8 GLN : amide:sc= 0 K(o=0,f=-0.81) USER MOD Single : A 10 THR OG1 : rot 47:sc= 0.426 USER MOD Single : A 12 MET CE :methyl -173:sc= -2.34! (180deg=-2.72!) USER MOD Single : A 13 THR OG1 : rot 180:sc= 0.127 USER MOD Single : A 14 CYS SG : rot 91:sc= 0.499 USER MOD Single : A 16 SER OG : rot -1:sc= 0.325 USER MOD Single : A 17 CYS SG : rot -162:sc= 0.493 USER MOD Single : A 20 ASN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 24 ASN : amide:sc= -0.7 K(o=-0.7,f=-0.16) USER MOD Single : A 32 TYR OH : rot 180:sc= 0 USER MOD Single : A 33 SER OG : rot 180:sc= 0 USER MOD Single : A 39 MET CE :methyl 179:sc= 0 (180deg=-0.00264) USER MOD Single : A 42 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 47 TYR OH : rot 180:sc= 0 USER MOD Single : A 53 GLN : amide:sc= -0.103 X(o=-0.1,f=-0.055) USER MOD Single : A 56 MET CE :methyl 164:sc= -0.0219 (180deg=-0.299) USER MOD Single : A 69 THR OG1 : rot 180:sc= 0 USER MOD Single : A 73 ASN : amide:sc= 0.294 X(o=0.29,f=-0.12) USER MOD ----------------------------------------------------------------- ATOM 1 N ASN A 1 -16.264 0.704 9.475 1.00 4.11 N ATOM 2 CA ASN A 1 -14.884 0.443 9.946 1.00 3.74 C ATOM 3 C ASN A 1 -14.024 0.058 8.749 1.00 2.73 C ATOM 4 O ASN A 1 -14.564 -0.003 7.648 1.00 3.11 O ATOM 5 CB ASN A 1 -14.846 -0.645 11.029 1.00 3.95 C ATOM 6 CG ASN A 1 -15.531 -1.913 10.534 1.00 3.65 C ATOM 7 OD1 ASN A 1 -16.755 -1.925 10.458 1.00 3.92 O ATOM 8 ND2 ASN A 1 -14.776 -2.926 10.126 1.00 3.90 N ATOM 0 H1 ASN A 1 -16.597 1.610 9.861 1.00 4.11 H new ATOM 0 H2 ASN A 1 -16.274 0.746 8.436 1.00 4.11 H new ATOM 0 H3 ASN A 1 -16.891 -0.061 9.797 1.00 4.11 H new ATOM 0 HA ASN A 1 -14.489 1.349 10.406 1.00 3.74 H new ATOM 0 HB2 ASN A 1 -13.812 -0.864 11.297 1.00 3.95 H new ATOM 0 HB3 ASN A 1 -15.340 -0.286 11.932 1.00 3.95 H new ATOM 0 HD21 ASN A 1 -15.211 -3.759 9.730 1.00 3.90 H new ATOM 0 HD22 ASN A 1 -13.761 -2.871 10.209 1.00 3.90 H new ATOM 17 N SER A 2 -12.720 -0.164 8.961 1.00 2.31 N ATOM 18 CA SER A 2 -11.761 -0.519 7.920 1.00 1.49 C ATOM 19 C SER A 2 -10.746 -1.501 8.507 1.00 1.39 C ATOM 20 O SER A 2 -10.453 -1.420 9.708 1.00 2.00 O ATOM 21 CB SER A 2 -11.055 0.740 7.403 1.00 2.36 C ATOM 22 OG SER A 2 -11.980 1.790 7.206 1.00 3.43 O ATOM 0 H SER A 2 -12.297 -0.099 9.887 1.00 2.31 H new ATOM 0 HA SER A 2 -12.277 -0.985 7.081 1.00 1.49 H new ATOM 0 HB2 SER A 2 -10.291 1.052 8.115 1.00 2.36 H new ATOM 0 HB3 SER A 2 -10.546 0.517 6.465 1.00 2.36 H new ATOM 0 HG SER A 2 -11.502 2.645 7.171 1.00 3.43 H new ATOM 28 N SER A 3 -10.212 -2.395 7.676 1.00 0.93 N ATOM 29 CA SER A 3 -9.362 -3.514 8.070 1.00 0.74 C ATOM 30 C SER A 3 -7.899 -3.167 7.791 1.00 0.54 C ATOM 31 O SER A 3 -7.635 -2.143 7.169 1.00 0.63 O ATOM 32 CB SER A 3 -9.809 -4.741 7.272 1.00 1.02 C ATOM 33 OG SER A 3 -11.201 -4.938 7.423 1.00 1.82 O ATOM 0 H SER A 3 -10.367 -2.356 6.669 1.00 0.93 H new ATOM 0 HA SER A 3 -9.452 -3.724 9.136 1.00 0.74 H new ATOM 0 HB2 SER A 3 -9.565 -4.608 6.218 1.00 1.02 H new ATOM 0 HB3 SER A 3 -9.270 -5.624 7.615 1.00 1.02 H new ATOM 0 HG SER A 3 -11.478 -5.724 6.908 1.00 1.82 H new ATOM 39 N LYS A 4 -6.937 -3.973 8.251 1.00 0.48 N ATOM 40 CA LYS A 4 -5.517 -3.677 8.068 1.00 0.45 C ATOM 41 C LYS A 4 -4.904 -4.717 7.130 1.00 0.60 C ATOM 42 O LYS A 4 -4.896 -5.904 7.455 1.00 1.02 O ATOM 43 CB LYS A 4 -4.822 -3.578 9.436 1.00 0.74 C ATOM 44 CG LYS A 4 -5.205 -2.239 10.092 1.00 1.70 C ATOM 45 CD LYS A 4 -5.179 -2.215 11.628 1.00 2.46 C ATOM 46 CE LYS A 4 -3.769 -2.093 12.223 1.00 2.61 C ATOM 47 NZ LYS A 4 -2.967 -3.317 12.044 1.00 2.75 N ATOM 0 H LYS A 4 -7.120 -4.840 8.756 1.00 0.48 H new ATOM 0 HA LYS A 4 -5.377 -2.706 7.592 1.00 0.45 H new ATOM 0 HB2 LYS A 4 -5.123 -4.410 10.073 1.00 0.74 H new ATOM 0 HB3 LYS A 4 -3.741 -3.643 9.315 1.00 0.74 H new ATOM 0 HG2 LYS A 4 -4.527 -1.469 9.724 1.00 1.70 H new ATOM 0 HG3 LYS A 4 -6.207 -1.967 9.760 1.00 1.70 H new ATOM 0 HD2 LYS A 4 -5.785 -1.380 11.979 1.00 2.46 H new ATOM 0 HD3 LYS A 4 -5.644 -3.126 12.004 1.00 2.46 H new ATOM 0 HE2 LYS A 4 -3.253 -1.254 11.755 1.00 2.61 H new ATOM 0 HE3 LYS A 4 -3.846 -1.867 13.286 1.00 2.61 H new ATOM 0 HZ1 LYS A 4 -2.535 -3.585 12.951 1.00 2.75 H new ATOM 0 HZ2 LYS A 4 -3.580 -4.088 11.712 1.00 2.75 H new ATOM 0 HZ3 LYS A 4 -2.219 -3.143 11.342 1.00 2.75 H new ATOM 61 N CYS A 5 -4.436 -4.269 5.958 1.00 0.54 N ATOM 62 CA CYS A 5 -3.816 -5.121 4.953 1.00 0.75 C ATOM 63 C CYS A 5 -2.306 -4.974 5.008 1.00 0.62 C ATOM 64 O CYS A 5 -1.800 -3.853 5.125 1.00 0.56 O ATOM 65 CB CYS A 5 -4.295 -4.718 3.564 1.00 0.99 C ATOM 66 SG CYS A 5 -4.337 -6.195 2.539 1.00 2.26 S ATOM 0 H CYS A 5 -4.482 -3.288 5.684 1.00 0.54 H new ATOM 0 HA CYS A 5 -4.094 -6.155 5.155 1.00 0.75 H new ATOM 0 HB2 CYS A 5 -5.285 -4.264 3.619 1.00 0.99 H new ATOM 0 HB3 CYS A 5 -3.627 -3.973 3.132 1.00 0.99 H new ATOM 0 HG CYS A 5 -5.544 -6.379 2.092 1.00 2.26 H new ATOM 72 N TYR A 6 -1.593 -6.095 4.912 1.00 0.66 N ATOM 73 CA TYR A 6 -0.152 -6.142 5.048 1.00 0.66 C ATOM 74 C TYR A 6 0.411 -6.324 3.640 1.00 0.67 C ATOM 75 O TYR A 6 0.255 -7.379 3.035 1.00 0.99 O ATOM 76 CB TYR A 6 0.209 -7.279 6.019 1.00 0.83 C ATOM 77 CG TYR A 6 1.159 -6.892 7.131 1.00 1.10 C ATOM 78 CD1 TYR A 6 0.693 -6.094 8.193 1.00 2.09 C ATOM 79 CD2 TYR A 6 2.451 -7.447 7.188 1.00 2.35 C ATOM 80 CE1 TYR A 6 1.510 -5.857 9.311 1.00 2.42 C ATOM 81 CE2 TYR A 6 3.268 -7.211 8.309 1.00 2.58 C ATOM 82 CZ TYR A 6 2.789 -6.434 9.376 1.00 1.96 C ATOM 83 OH TYR A 6 3.578 -6.226 10.468 1.00 2.47 O ATOM 0 H TYR A 6 -2.014 -7.007 4.735 1.00 0.66 H new ATOM 0 HA TYR A 6 0.279 -5.234 5.471 1.00 0.66 H new ATOM 0 HB2 TYR A 6 -0.709 -7.663 6.463 1.00 0.83 H new ATOM 0 HB3 TYR A 6 0.653 -8.096 5.450 1.00 0.83 H new ATOM 0 HD1 TYR A 6 -0.296 -5.662 8.148 1.00 2.09 H new ATOM 0 HD2 TYR A 6 2.815 -8.054 6.372 1.00 2.35 H new ATOM 0 HE1 TYR A 6 1.156 -5.233 10.118 1.00 2.42 H new ATOM 0 HE2 TYR A 6 4.264 -7.628 8.349 1.00 2.58 H new ATOM 0 HH TYR A 6 4.429 -6.697 10.351 1.00 2.47 H new ATOM 93 N ILE A 7 1.005 -5.281 3.067 1.00 0.43 N ATOM 94 CA ILE A 7 1.581 -5.348 1.731 1.00 0.40 C ATOM 95 C ILE A 7 3.092 -5.441 1.935 1.00 0.44 C ATOM 96 O ILE A 7 3.629 -4.876 2.887 1.00 0.53 O ATOM 97 CB ILE A 7 1.151 -4.156 0.838 1.00 0.39 C ATOM 98 CG1 ILE A 7 -0.157 -3.469 1.263 1.00 0.70 C ATOM 99 CG2 ILE A 7 1.031 -4.528 -0.649 1.00 0.34 C ATOM 100 CD1 ILE A 7 -1.421 -4.317 1.108 1.00 1.53 C ATOM 0 H ILE A 7 1.100 -4.370 3.515 1.00 0.43 H new ATOM 0 HA ILE A 7 1.216 -6.217 1.184 1.00 0.40 H new ATOM 0 HB ILE A 7 1.968 -3.449 0.982 1.00 0.39 H new ATOM 0 HG12 ILE A 7 -0.067 -3.167 2.307 1.00 0.70 H new ATOM 0 HG13 ILE A 7 -0.277 -2.558 0.677 1.00 0.70 H new ATOM 0 HG21 ILE A 7 0.727 -3.651 -1.220 1.00 0.34 H new ATOM 0 HG22 ILE A 7 1.995 -4.883 -1.014 1.00 0.34 H new ATOM 0 HG23 ILE A 7 0.286 -5.315 -0.768 1.00 0.34 H new ATOM 0 HD11 ILE A 7 -2.287 -3.742 1.435 1.00 1.53 H new ATOM 0 HD12 ILE A 7 -1.545 -4.598 0.062 1.00 1.53 H new ATOM 0 HD13 ILE A 7 -1.332 -5.217 1.717 1.00 1.53 H new ATOM 112 N GLN A 8 3.792 -6.170 1.073 1.00 0.48 N ATOM 113 CA GLN A 8 5.243 -6.182 1.035 1.00 0.55 C ATOM 114 C GLN A 8 5.663 -5.818 -0.385 1.00 0.54 C ATOM 115 O GLN A 8 4.889 -6.010 -1.326 1.00 0.48 O ATOM 116 CB GLN A 8 5.751 -7.546 1.520 1.00 0.62 C ATOM 117 CG GLN A 8 7.283 -7.641 1.533 1.00 1.82 C ATOM 118 CD GLN A 8 7.781 -8.894 2.249 1.00 1.74 C ATOM 119 OE1 GLN A 8 7.003 -9.715 2.721 1.00 1.34 O ATOM 120 NE2 GLN A 8 9.097 -9.052 2.346 1.00 2.90 N ATOM 0 H GLN A 8 3.360 -6.775 0.375 1.00 0.48 H new ATOM 0 HA GLN A 8 5.691 -5.450 1.707 1.00 0.55 H new ATOM 0 HB2 GLN A 8 5.372 -7.733 2.524 1.00 0.62 H new ATOM 0 HB3 GLN A 8 5.349 -8.328 0.876 1.00 0.62 H new ATOM 0 HG2 GLN A 8 7.653 -7.640 0.508 1.00 1.82 H new ATOM 0 HG3 GLN A 8 7.695 -6.758 2.022 1.00 1.82 H new ATOM 0 HE21 GLN A 8 9.725 -8.355 1.945 1.00 2.90 H new ATOM 0 HE22 GLN A 8 9.479 -9.870 2.821 1.00 2.90 H new ATOM 129 N VAL A 9 6.859 -5.236 -0.522 1.00 0.64 N ATOM 130 CA VAL A 9 7.402 -4.786 -1.798 1.00 0.68 C ATOM 131 C VAL A 9 8.897 -5.094 -1.804 1.00 0.75 C ATOM 132 O VAL A 9 9.597 -4.773 -0.841 1.00 1.09 O ATOM 133 CB VAL A 9 7.159 -3.278 -1.980 1.00 0.80 C ATOM 134 CG1 VAL A 9 7.898 -2.723 -3.205 1.00 2.02 C ATOM 135 CG2 VAL A 9 5.674 -2.918 -2.101 1.00 1.92 C ATOM 0 H VAL A 9 7.483 -5.064 0.266 1.00 0.64 H new ATOM 0 HA VAL A 9 6.910 -5.301 -2.623 1.00 0.68 H new ATOM 0 HB VAL A 9 7.553 -2.819 -1.073 1.00 0.80 H new ATOM 0 HG11 VAL A 9 7.699 -1.655 -3.297 1.00 2.02 H new ATOM 0 HG12 VAL A 9 8.970 -2.884 -3.087 1.00 2.02 H new ATOM 0 HG13 VAL A 9 7.551 -3.235 -4.102 1.00 2.02 H new ATOM 0 HG21 VAL A 9 5.570 -1.840 -2.227 1.00 1.92 H new ATOM 0 HG22 VAL A 9 5.245 -3.428 -2.964 1.00 1.92 H new ATOM 0 HG23 VAL A 9 5.149 -3.230 -1.198 1.00 1.92 H new ATOM 145 N THR A 10 9.402 -5.696 -2.881 1.00 0.71 N ATOM 146 CA THR A 10 10.795 -6.105 -2.967 1.00 0.84 C ATOM 147 C THR A 10 11.668 -4.912 -3.353 1.00 0.83 C ATOM 148 O THR A 10 12.198 -4.860 -4.462 1.00 1.00 O ATOM 149 CB THR A 10 10.906 -7.274 -3.954 1.00 1.05 C ATOM 150 OG1 THR A 10 10.434 -6.849 -5.216 1.00 1.85 O ATOM 151 CG2 THR A 10 10.070 -8.471 -3.489 1.00 1.83 C ATOM 0 H THR A 10 8.854 -5.911 -3.714 1.00 0.71 H new ATOM 0 HA THR A 10 11.158 -6.452 -2.000 1.00 0.84 H new ATOM 0 HB THR A 10 11.950 -7.583 -4.013 1.00 1.05 H new ATOM 0 HG1 THR A 10 10.830 -5.980 -5.438 1.00 1.85 H new ATOM 0 HG21 THR A 10 10.168 -9.284 -4.208 1.00 1.83 H new ATOM 0 HG22 THR A 10 10.423 -8.805 -2.513 1.00 1.83 H new ATOM 0 HG23 THR A 10 9.023 -8.177 -3.415 1.00 1.83 H new ATOM 159 N GLY A 11 11.804 -3.969 -2.419 1.00 0.93 N ATOM 160 CA GLY A 11 12.685 -2.815 -2.529 1.00 1.01 C ATOM 161 C GLY A 11 12.003 -1.555 -2.016 1.00 1.06 C ATOM 162 O GLY A 11 12.026 -0.521 -2.677 1.00 1.41 O ATOM 0 H GLY A 11 11.287 -3.992 -1.540 1.00 0.93 H new ATOM 0 HA2 GLY A 11 13.598 -2.995 -1.961 1.00 1.01 H new ATOM 0 HA3 GLY A 11 12.979 -2.676 -3.569 1.00 1.01 H new ATOM 166 N MET A 12 11.401 -1.625 -0.826 1.00 1.07 N ATOM 167 CA MET A 12 10.763 -0.460 -0.234 1.00 1.38 C ATOM 168 C MET A 12 11.748 0.673 0.009 1.00 1.89 C ATOM 169 O MET A 12 11.387 1.833 -0.173 1.00 2.55 O ATOM 170 CB MET A 12 10.082 -0.824 1.085 1.00 1.83 C ATOM 171 CG MET A 12 8.674 -1.363 0.859 1.00 3.02 C ATOM 172 SD MET A 12 7.427 -0.587 1.906 1.00 4.68 S ATOM 173 CE MET A 12 6.034 -0.672 0.768 1.00 6.50 C ATOM 0 H MET A 12 11.345 -2.473 -0.261 1.00 1.07 H new ATOM 0 HA MET A 12 10.017 -0.117 -0.951 1.00 1.38 H new ATOM 0 HB2 MET A 12 10.678 -1.571 1.609 1.00 1.83 H new ATOM 0 HB3 MET A 12 10.037 0.056 1.727 1.00 1.83 H new ATOM 0 HG2 MET A 12 8.401 -1.216 -0.186 1.00 3.02 H new ATOM 0 HG3 MET A 12 8.672 -2.438 1.041 1.00 3.02 H new ATOM 0 HE1 MET A 12 5.188 -0.126 1.187 1.00 6.50 H new ATOM 0 HE2 MET A 12 6.316 -0.228 -0.186 1.00 6.50 H new ATOM 0 HE3 MET A 12 5.753 -1.714 0.614 1.00 6.50 H new ATOM 183 N THR A 13 12.982 0.351 0.400 1.00 2.25 N ATOM 184 CA THR A 13 14.037 1.281 0.781 1.00 3.18 C ATOM 185 C THR A 13 14.540 2.140 -0.389 1.00 2.40 C ATOM 186 O THR A 13 15.664 2.643 -0.352 1.00 3.03 O ATOM 187 CB THR A 13 15.149 0.433 1.421 1.00 4.43 C ATOM 188 OG1 THR A 13 15.279 -0.776 0.691 1.00 5.16 O ATOM 189 CG2 THR A 13 14.774 0.068 2.861 1.00 5.42 C ATOM 0 H THR A 13 13.285 -0.621 0.461 1.00 2.25 H new ATOM 0 HA THR A 13 13.656 2.017 1.489 1.00 3.18 H new ATOM 0 HB THR A 13 16.077 1.004 1.411 1.00 4.43 H new ATOM 0 HG1 THR A 13 15.987 -1.324 1.089 1.00 5.16 H new ATOM 0 HG21 THR A 13 15.569 -0.532 3.303 1.00 5.42 H new ATOM 0 HG22 THR A 13 14.640 0.979 3.444 1.00 5.42 H new ATOM 0 HG23 THR A 13 13.845 -0.503 2.862 1.00 5.42 H new ATOM 197 N CYS A 14 13.718 2.362 -1.419 1.00 1.39 N ATOM 198 CA CYS A 14 14.090 3.124 -2.588 1.00 0.90 C ATOM 199 C CYS A 14 13.968 4.616 -2.286 1.00 1.08 C ATOM 200 O CYS A 14 13.070 5.290 -2.793 1.00 2.41 O ATOM 201 CB CYS A 14 13.259 2.710 -3.814 1.00 1.36 C ATOM 202 SG CYS A 14 13.931 1.204 -4.551 1.00 2.49 S ATOM 0 H CYS A 14 12.763 2.006 -1.453 1.00 1.39 H new ATOM 0 HA CYS A 14 15.130 2.911 -2.837 1.00 0.90 H new ATOM 0 HB2 CYS A 14 12.222 2.547 -3.520 1.00 1.36 H new ATOM 0 HB3 CYS A 14 13.259 3.514 -4.550 1.00 1.36 H new ATOM 0 HG CYS A 14 13.350 0.167 -4.025 1.00 2.49 H new ATOM 208 N ALA A 15 14.876 5.120 -1.445 1.00 1.27 N ATOM 209 CA ALA A 15 15.020 6.524 -1.069 1.00 1.61 C ATOM 210 C ALA A 15 13.757 7.089 -0.408 1.00 1.76 C ATOM 211 O ALA A 15 13.714 7.268 0.807 1.00 3.33 O ATOM 212 CB ALA A 15 15.481 7.361 -2.270 1.00 2.15 C ATOM 0 H ALA A 15 15.566 4.525 -0.985 1.00 1.27 H new ATOM 0 HA ALA A 15 15.798 6.583 -0.308 1.00 1.61 H new ATOM 0 HB1 ALA A 15 15.582 8.404 -1.969 1.00 2.15 H new ATOM 0 HB2 ALA A 15 16.443 6.990 -2.624 1.00 2.15 H new ATOM 0 HB3 ALA A 15 14.746 7.284 -3.071 1.00 2.15 H new ATOM 218 N SER A 16 12.733 7.394 -1.205 1.00 0.88 N ATOM 219 CA SER A 16 11.441 7.890 -0.748 1.00 1.02 C ATOM 220 C SER A 16 10.353 7.556 -1.769 1.00 1.05 C ATOM 221 O SER A 16 9.425 8.338 -1.955 1.00 1.97 O ATOM 222 CB SER A 16 11.514 9.403 -0.486 1.00 1.56 C ATOM 223 OG SER A 16 12.489 9.713 0.493 1.00 2.08 O ATOM 0 H SER A 16 12.785 7.298 -2.219 1.00 0.88 H new ATOM 0 HA SER A 16 11.184 7.398 0.190 1.00 1.02 H new ATOM 0 HB2 SER A 16 11.750 9.923 -1.414 1.00 1.56 H new ATOM 0 HB3 SER A 16 10.539 9.764 -0.158 1.00 1.56 H new ATOM 0 HG SER A 16 12.911 8.886 0.808 1.00 2.08 H new ATOM 229 N CYS A 17 10.453 6.397 -2.431 1.00 0.77 N ATOM 230 CA CYS A 17 9.438 5.981 -3.395 1.00 0.87 C ATOM 231 C CYS A 17 8.081 5.874 -2.695 1.00 0.81 C ATOM 232 O CYS A 17 7.128 6.571 -3.043 1.00 0.90 O ATOM 233 CB CYS A 17 9.827 4.644 -4.050 1.00 1.00 C ATOM 234 SG CYS A 17 9.440 4.723 -5.813 1.00 2.50 S ATOM 0 H CYS A 17 11.222 5.737 -2.315 1.00 0.77 H new ATOM 0 HA CYS A 17 9.368 6.728 -4.185 1.00 0.87 H new ATOM 0 HB2 CYS A 17 10.890 4.448 -3.906 1.00 1.00 H new ATOM 0 HB3 CYS A 17 9.285 3.823 -3.581 1.00 1.00 H new ATOM 0 HG CYS A 17 9.395 3.519 -6.302 1.00 2.50 H new ATOM 240 N VAL A 18 8.031 5.017 -1.669 1.00 0.86 N ATOM 241 CA VAL A 18 6.839 4.688 -0.900 1.00 0.92 C ATOM 242 C VAL A 18 6.064 5.941 -0.514 1.00 0.77 C ATOM 243 O VAL A 18 4.867 6.020 -0.744 1.00 0.79 O ATOM 244 CB VAL A 18 7.222 3.809 0.304 1.00 1.09 C ATOM 245 CG1 VAL A 18 7.834 4.551 1.499 1.00 1.62 C ATOM 246 CG2 VAL A 18 6.023 2.970 0.761 1.00 2.04 C ATOM 0 H VAL A 18 8.858 4.516 -1.343 1.00 0.86 H new ATOM 0 HA VAL A 18 6.157 4.105 -1.519 1.00 0.92 H new ATOM 0 HB VAL A 18 8.021 3.168 -0.069 1.00 1.09 H new ATOM 0 HG11 VAL A 18 8.066 3.838 2.290 1.00 1.62 H new ATOM 0 HG12 VAL A 18 8.748 5.055 1.185 1.00 1.62 H new ATOM 0 HG13 VAL A 18 7.123 5.288 1.872 1.00 1.62 H new ATOM 0 HG21 VAL A 18 6.313 2.355 1.613 1.00 2.04 H new ATOM 0 HG22 VAL A 18 5.206 3.631 1.052 1.00 2.04 H new ATOM 0 HG23 VAL A 18 5.696 2.327 -0.056 1.00 2.04 H new ATOM 256 N ALA A 19 6.772 6.938 0.008 1.00 0.74 N ATOM 257 CA ALA A 19 6.227 8.228 0.434 1.00 0.73 C ATOM 258 C ALA A 19 5.210 8.805 -0.564 1.00 0.58 C ATOM 259 O ALA A 19 4.155 9.313 -0.177 1.00 0.60 O ATOM 260 CB ALA A 19 7.371 9.218 0.667 1.00 0.87 C ATOM 0 H ALA A 19 7.779 6.869 0.152 1.00 0.74 H new ATOM 0 HA ALA A 19 5.686 8.062 1.365 1.00 0.73 H new ATOM 0 HB1 ALA A 19 6.963 10.178 0.984 1.00 0.87 H new ATOM 0 HB2 ALA A 19 8.034 8.832 1.441 1.00 0.87 H new ATOM 0 HB3 ALA A 19 7.932 9.350 -0.258 1.00 0.87 H new ATOM 266 N ASN A 20 5.511 8.728 -1.864 1.00 0.54 N ATOM 267 CA ASN A 20 4.594 9.218 -2.886 1.00 0.62 C ATOM 268 C ASN A 20 3.290 8.417 -2.870 1.00 0.63 C ATOM 269 O ASN A 20 2.198 8.979 -2.930 1.00 0.72 O ATOM 270 CB ASN A 20 5.257 9.139 -4.263 1.00 0.78 C ATOM 271 CG ASN A 20 4.273 9.560 -5.352 1.00 0.95 C ATOM 272 OD1 ASN A 20 3.807 10.695 -5.365 1.00 1.40 O ATOM 273 ND2 ASN A 20 3.937 8.653 -6.265 1.00 1.17 N ATOM 0 H ASN A 20 6.378 8.333 -2.227 1.00 0.54 H new ATOM 0 HA ASN A 20 4.354 10.259 -2.671 1.00 0.62 H new ATOM 0 HB2 ASN A 20 6.135 9.784 -4.288 1.00 0.78 H new ATOM 0 HB3 ASN A 20 5.603 8.122 -4.450 1.00 0.78 H new ATOM 0 HD21 ASN A 20 3.275 8.893 -7.003 1.00 1.17 H new ATOM 0 HD22 ASN A 20 4.342 7.717 -6.228 1.00 1.17 H new ATOM 280 N ILE A 21 3.409 7.094 -2.773 1.00 0.61 N ATOM 281 CA ILE A 21 2.277 6.191 -2.708 1.00 0.73 C ATOM 282 C ILE A 21 1.522 6.464 -1.412 1.00 0.59 C ATOM 283 O ILE A 21 0.316 6.644 -1.485 1.00 0.72 O ATOM 284 CB ILE A 21 2.758 4.725 -2.802 1.00 0.89 C ATOM 285 CG1 ILE A 21 3.280 4.367 -4.200 1.00 1.04 C ATOM 286 CG2 ILE A 21 1.666 3.715 -2.455 1.00 1.15 C ATOM 287 CD1 ILE A 21 4.776 4.651 -4.343 1.00 2.08 C ATOM 0 H ILE A 21 4.311 6.619 -2.737 1.00 0.61 H new ATOM 0 HA ILE A 21 1.603 6.356 -3.549 1.00 0.73 H new ATOM 0 HB ILE A 21 3.564 4.662 -2.070 1.00 0.89 H new ATOM 0 HG12 ILE A 21 3.091 3.312 -4.399 1.00 1.04 H new ATOM 0 HG13 ILE A 21 2.730 4.936 -4.949 1.00 1.04 H new ATOM 0 HG21 ILE A 21 2.065 2.704 -2.539 1.00 1.15 H new ATOM 0 HG22 ILE A 21 1.323 3.886 -1.434 1.00 1.15 H new ATOM 0 HG23 ILE A 21 0.829 3.833 -3.143 1.00 1.15 H new ATOM 0 HD11 ILE A 21 5.103 4.383 -5.348 1.00 2.08 H new ATOM 0 HD12 ILE A 21 4.963 5.711 -4.171 1.00 2.08 H new ATOM 0 HD13 ILE A 21 5.330 4.062 -3.612 1.00 2.08 H new ATOM 299 N GLU A 22 2.193 6.523 -0.258 1.00 0.49 N ATOM 300 CA GLU A 22 1.604 6.873 1.029 1.00 0.51 C ATOM 301 C GLU A 22 0.705 8.101 0.896 1.00 0.51 C ATOM 302 O GLU A 22 -0.471 8.073 1.250 1.00 0.63 O ATOM 303 CB GLU A 22 2.713 7.173 2.043 1.00 0.70 C ATOM 304 CG GLU A 22 3.514 5.941 2.476 1.00 0.94 C ATOM 305 CD GLU A 22 4.634 6.295 3.450 1.00 1.22 C ATOM 306 OE1 GLU A 22 4.741 7.491 3.793 1.00 1.50 O ATOM 307 OE2 GLU A 22 5.368 5.358 3.830 1.00 2.49 O ATOM 0 H GLU A 22 3.191 6.322 -0.196 1.00 0.49 H new ATOM 0 HA GLU A 22 1.005 6.029 1.371 1.00 0.51 H new ATOM 0 HB2 GLU A 22 3.397 7.905 1.612 1.00 0.70 H new ATOM 0 HB3 GLU A 22 2.269 7.633 2.926 1.00 0.70 H new ATOM 0 HG2 GLU A 22 2.844 5.219 2.943 1.00 0.94 H new ATOM 0 HG3 GLU A 22 3.939 5.458 1.596 1.00 0.94 H new ATOM 314 N ARG A 23 1.256 9.190 0.357 1.00 0.58 N ATOM 315 CA ARG A 23 0.528 10.423 0.147 1.00 0.79 C ATOM 316 C ARG A 23 -0.729 10.225 -0.711 1.00 0.87 C ATOM 317 O ARG A 23 -1.683 10.995 -0.602 1.00 1.20 O ATOM 318 CB ARG A 23 1.504 11.425 -0.468 1.00 0.98 C ATOM 319 CG ARG A 23 0.771 12.679 -0.928 1.00 1.49 C ATOM 320 CD ARG A 23 1.765 13.817 -1.142 1.00 1.87 C ATOM 321 NE ARG A 23 1.253 14.829 -2.082 1.00 2.83 N ATOM 322 CZ ARG A 23 0.215 15.652 -1.867 1.00 3.46 C ATOM 323 NH1 ARG A 23 -0.394 15.659 -0.676 1.00 3.58 N ATOM 324 NH2 ARG A 23 -0.213 16.460 -2.844 1.00 4.92 N ATOM 0 H ARG A 23 2.229 9.232 0.054 1.00 0.58 H new ATOM 0 HA ARG A 23 0.152 10.802 1.098 1.00 0.79 H new ATOM 0 HB2 ARG A 23 2.268 11.692 0.263 1.00 0.98 H new ATOM 0 HB3 ARG A 23 2.018 10.968 -1.313 1.00 0.98 H new ATOM 0 HG2 ARG A 23 0.233 12.476 -1.854 1.00 1.49 H new ATOM 0 HG3 ARG A 23 0.028 12.969 -0.185 1.00 1.49 H new ATOM 0 HD2 ARG A 23 1.986 14.290 -0.185 1.00 1.87 H new ATOM 0 HD3 ARG A 23 2.703 13.412 -1.521 1.00 1.87 H new ATOM 0 HE ARG A 23 1.732 14.912 -2.979 1.00 2.83 H new ATOM 0 HH11 ARG A 23 -0.069 15.040 0.067 1.00 3.58 H new ATOM 0 HH12 ARG A 23 -1.183 16.284 -0.510 1.00 3.58 H new ATOM 0 HH21 ARG A 23 0.250 16.451 -3.753 1.00 4.92 H new ATOM 0 HH22 ARG A 23 -1.002 17.085 -2.680 1.00 4.92 H new ATOM 338 N ASN A 24 -0.755 9.215 -1.573 1.00 0.73 N ATOM 339 CA ASN A 24 -1.906 8.903 -2.388 1.00 0.95 C ATOM 340 C ASN A 24 -2.872 8.071 -1.516 1.00 0.95 C ATOM 341 O ASN A 24 -4.030 8.450 -1.329 1.00 1.28 O ATOM 342 CB ASN A 24 -1.348 8.250 -3.666 1.00 1.05 C ATOM 343 CG ASN A 24 -2.014 6.943 -4.008 1.00 2.04 C ATOM 344 OD1 ASN A 24 -3.085 6.901 -4.600 1.00 3.14 O ATOM 345 ND2 ASN A 24 -1.355 5.876 -3.596 1.00 2.57 N ATOM 0 H ASN A 24 0.035 8.587 -1.722 1.00 0.73 H new ATOM 0 HA ASN A 24 -2.509 9.746 -2.725 1.00 0.95 H new ATOM 0 HB2 ASN A 24 -1.469 8.940 -4.501 1.00 1.05 H new ATOM 0 HB3 ASN A 24 -0.278 8.083 -3.543 1.00 1.05 H new ATOM 0 HD21 ASN A 24 -1.735 4.945 -3.766 1.00 2.57 H new ATOM 0 HD22 ASN A 24 -0.466 5.983 -3.108 1.00 2.57 H new ATOM 352 N LEU A 25 -2.342 7.019 -0.880 1.00 0.72 N ATOM 353 CA LEU A 25 -2.991 6.081 0.028 1.00 0.80 C ATOM 354 C LEU A 25 -3.596 6.738 1.275 1.00 0.90 C ATOM 355 O LEU A 25 -4.447 6.121 1.905 1.00 1.39 O ATOM 356 CB LEU A 25 -2.003 4.957 0.423 1.00 0.89 C ATOM 357 CG LEU A 25 -2.320 3.608 -0.242 1.00 1.12 C ATOM 358 CD1 LEU A 25 -2.279 3.637 -1.768 1.00 1.52 C ATOM 359 CD2 LEU A 25 -1.404 2.485 0.234 1.00 1.94 C ATOM 0 H LEU A 25 -1.357 6.786 -1.003 1.00 0.72 H new ATOM 0 HA LEU A 25 -3.835 5.658 -0.517 1.00 0.80 H new ATOM 0 HB2 LEU A 25 -0.992 5.260 0.151 1.00 0.89 H new ATOM 0 HB3 LEU A 25 -2.018 4.833 1.506 1.00 0.89 H new ATOM 0 HG LEU A 25 -3.345 3.411 0.071 1.00 1.12 H new ATOM 0 HD11 LEU A 25 -2.514 2.646 -2.157 1.00 1.52 H new ATOM 0 HD12 LEU A 25 -3.011 4.355 -2.138 1.00 1.52 H new ATOM 0 HD13 LEU A 25 -1.283 3.930 -2.100 1.00 1.52 H new ATOM 0 HD21 LEU A 25 -1.675 1.557 -0.269 1.00 1.94 H new ATOM 0 HD22 LEU A 25 -0.369 2.736 0.001 1.00 1.94 H new ATOM 0 HD23 LEU A 25 -1.513 2.359 1.311 1.00 1.94 H new ATOM 371 N ARG A 26 -3.169 7.950 1.659 1.00 0.70 N ATOM 372 CA ARG A 26 -3.635 8.667 2.855 1.00 0.79 C ATOM 373 C ARG A 26 -5.128 8.467 3.167 1.00 1.33 C ATOM 374 O ARG A 26 -5.518 8.327 4.323 1.00 1.79 O ATOM 375 CB ARG A 26 -3.281 10.156 2.716 1.00 0.77 C ATOM 376 CG ARG A 26 -4.000 10.800 1.528 1.00 2.32 C ATOM 377 CD ARG A 26 -3.732 12.308 1.380 1.00 2.91 C ATOM 378 NE ARG A 26 -4.866 13.020 0.757 1.00 4.60 N ATOM 379 CZ ARG A 26 -5.523 12.660 -0.361 1.00 6.08 C ATOM 380 NH1 ARG A 26 -5.041 11.692 -1.148 1.00 6.53 N ATOM 381 NH2 ARG A 26 -6.672 13.274 -0.675 1.00 7.64 N ATOM 0 H ARG A 26 -2.470 8.473 1.131 1.00 0.70 H new ATOM 0 HA ARG A 26 -3.117 8.237 3.713 1.00 0.79 H new ATOM 0 HB2 ARG A 26 -3.550 10.681 3.632 1.00 0.77 H new ATOM 0 HB3 ARG A 26 -2.204 10.264 2.591 1.00 0.77 H new ATOM 0 HG2 ARG A 26 -3.693 10.295 0.612 1.00 2.32 H new ATOM 0 HG3 ARG A 26 -5.073 10.640 1.635 1.00 2.32 H new ATOM 0 HD2 ARG A 26 -3.531 12.737 2.362 1.00 2.91 H new ATOM 0 HD3 ARG A 26 -2.836 12.458 0.777 1.00 2.91 H new ATOM 0 HE ARG A 26 -5.183 13.871 1.221 1.00 4.60 H new ATOM 0 HH11 ARG A 26 -4.170 11.221 -0.902 1.00 6.53 H new ATOM 0 HH12 ARG A 26 -5.544 11.424 -1.994 1.00 6.53 H new ATOM 0 HH21 ARG A 26 -7.041 14.007 -0.069 1.00 7.64 H new ATOM 0 HH22 ARG A 26 -7.178 13.009 -1.520 1.00 7.64 H new ATOM 395 N ARG A 27 -5.940 8.524 2.111 1.00 1.63 N ATOM 396 CA ARG A 27 -7.391 8.453 2.070 1.00 2.32 C ATOM 397 C ARG A 27 -7.819 7.761 0.774 1.00 1.62 C ATOM 398 O ARG A 27 -8.649 6.849 0.788 1.00 2.45 O ATOM 399 CB ARG A 27 -7.997 9.862 2.171 1.00 3.38 C ATOM 400 CG ARG A 27 -7.592 10.508 3.503 1.00 4.44 C ATOM 401 CD ARG A 27 -8.521 11.654 3.936 1.00 5.29 C ATOM 402 NE ARG A 27 -7.919 12.978 3.695 1.00 5.31 N ATOM 403 CZ ARG A 27 -8.556 14.153 3.842 1.00 5.90 C ATOM 404 NH1 ARG A 27 -9.864 14.175 4.121 1.00 6.43 N ATOM 405 NH2 ARG A 27 -7.883 15.303 3.710 1.00 6.39 N ATOM 0 H ARG A 27 -5.554 8.632 1.173 1.00 1.63 H new ATOM 0 HA ARG A 27 -7.757 7.875 2.918 1.00 2.32 H new ATOM 0 HB2 ARG A 27 -7.653 10.476 1.339 1.00 3.38 H new ATOM 0 HB3 ARG A 27 -9.083 9.807 2.099 1.00 3.38 H new ATOM 0 HG2 ARG A 27 -7.584 9.744 4.281 1.00 4.44 H new ATOM 0 HG3 ARG A 27 -6.574 10.888 3.419 1.00 4.44 H new ATOM 0 HD2 ARG A 27 -9.463 11.581 3.393 1.00 5.29 H new ATOM 0 HD3 ARG A 27 -8.754 11.550 4.996 1.00 5.29 H new ATOM 0 HE ARG A 27 -6.945 13.005 3.394 1.00 5.31 H new ATOM 0 HH11 ARG A 27 -10.379 13.300 4.222 1.00 6.43 H new ATOM 0 HH12 ARG A 27 -10.347 15.067 4.232 1.00 6.43 H new ATOM 0 HH21 ARG A 27 -6.885 15.289 3.498 1.00 6.39 H new ATOM 0 HH22 ARG A 27 -8.368 16.193 3.822 1.00 6.39 H new ATOM 419 N GLU A 28 -7.224 8.183 -0.350 1.00 0.92 N ATOM 420 CA GLU A 28 -7.427 7.566 -1.643 1.00 1.09 C ATOM 421 C GLU A 28 -8.920 7.612 -1.984 1.00 1.48 C ATOM 422 O GLU A 28 -9.544 8.645 -1.733 1.00 2.65 O ATOM 423 CB GLU A 28 -6.801 6.172 -1.580 1.00 1.06 C ATOM 424 CG GLU A 28 -6.349 5.668 -2.949 1.00 1.24 C ATOM 425 CD GLU A 28 -6.941 4.293 -3.226 1.00 1.63 C ATOM 426 OE1 GLU A 28 -8.192 4.240 -3.214 1.00 2.31 O ATOM 427 OE2 GLU A 28 -6.157 3.332 -3.354 1.00 2.83 O ATOM 0 H GLU A 28 -6.581 8.975 -0.374 1.00 0.92 H new ATOM 0 HA GLU A 28 -6.937 8.090 -2.464 1.00 1.09 H new ATOM 0 HB2 GLU A 28 -5.946 6.192 -0.904 1.00 1.06 H new ATOM 0 HB3 GLU A 28 -7.523 5.472 -1.160 1.00 1.06 H new ATOM 0 HG2 GLU A 28 -6.661 6.369 -3.723 1.00 1.24 H new ATOM 0 HG3 GLU A 28 -5.261 5.617 -2.985 1.00 1.24 H new ATOM 434 N GLU A 29 -9.494 6.520 -2.498 1.00 1.29 N ATOM 435 CA GLU A 29 -10.933 6.380 -2.687 1.00 1.70 C ATOM 436 C GLU A 29 -11.484 5.198 -1.879 1.00 1.51 C ATOM 437 O GLU A 29 -12.562 4.680 -2.164 1.00 1.52 O ATOM 438 CB GLU A 29 -11.233 6.302 -4.195 1.00 2.39 C ATOM 439 CG GLU A 29 -12.626 6.831 -4.562 1.00 2.58 C ATOM 440 CD GLU A 29 -12.850 6.783 -6.068 1.00 3.53 C ATOM 441 OE1 GLU A 29 -12.379 7.727 -6.737 1.00 4.36 O ATOM 442 OE2 GLU A 29 -13.480 5.804 -6.522 1.00 4.14 O ATOM 0 H GLU A 29 -8.963 5.702 -2.796 1.00 1.29 H new ATOM 0 HA GLU A 29 -11.455 7.254 -2.297 1.00 1.70 H new ATOM 0 HB2 GLU A 29 -10.480 6.872 -4.739 1.00 2.39 H new ATOM 0 HB3 GLU A 29 -11.147 5.266 -4.523 1.00 2.39 H new ATOM 0 HG2 GLU A 29 -13.389 6.237 -4.058 1.00 2.58 H new ATOM 0 HG3 GLU A 29 -12.735 7.856 -4.207 1.00 2.58 H new ATOM 449 N GLY A 30 -10.782 4.807 -0.813 1.00 1.65 N ATOM 450 CA GLY A 30 -11.297 3.834 0.144 1.00 1.44 C ATOM 451 C GLY A 30 -10.240 3.332 1.116 1.00 1.28 C ATOM 452 O GLY A 30 -10.236 2.147 1.460 1.00 1.85 O ATOM 0 H GLY A 30 -9.849 5.154 -0.593 1.00 1.65 H new ATOM 0 HA2 GLY A 30 -12.114 4.285 0.707 1.00 1.44 H new ATOM 0 HA3 GLY A 30 -11.714 2.986 -0.399 1.00 1.44 H new ATOM 456 N ILE A 31 -9.354 4.221 1.577 1.00 0.66 N ATOM 457 CA ILE A 31 -8.294 3.875 2.509 1.00 0.58 C ATOM 458 C ILE A 31 -8.374 4.786 3.731 1.00 0.60 C ATOM 459 O ILE A 31 -8.894 5.895 3.652 1.00 0.70 O ATOM 460 CB ILE A 31 -6.950 3.956 1.775 1.00 0.63 C ATOM 461 CG1 ILE A 31 -7.064 3.046 0.542 1.00 0.87 C ATOM 462 CG2 ILE A 31 -5.803 3.537 2.700 1.00 1.05 C ATOM 463 CD1 ILE A 31 -5.742 2.848 -0.171 1.00 1.73 C ATOM 0 H ILE A 31 -9.359 5.205 1.308 1.00 0.66 H new ATOM 0 HA ILE A 31 -8.403 2.854 2.876 1.00 0.58 H new ATOM 0 HB ILE A 31 -6.726 4.976 1.464 1.00 0.63 H new ATOM 0 HG12 ILE A 31 -7.454 2.075 0.848 1.00 0.87 H new ATOM 0 HG13 ILE A 31 -7.785 3.475 -0.154 1.00 0.87 H new ATOM 0 HG21 ILE A 31 -4.858 3.601 2.160 1.00 1.05 H new ATOM 0 HG22 ILE A 31 -5.773 4.200 3.565 1.00 1.05 H new ATOM 0 HG23 ILE A 31 -5.961 2.511 3.034 1.00 1.05 H new ATOM 0 HD11 ILE A 31 -5.887 2.196 -1.033 1.00 1.73 H new ATOM 0 HD12 ILE A 31 -5.361 3.813 -0.506 1.00 1.73 H new ATOM 0 HD13 ILE A 31 -5.025 2.392 0.512 1.00 1.73 H new ATOM 475 N TYR A 32 -7.921 4.283 4.881 1.00 0.57 N ATOM 476 CA TYR A 32 -7.960 4.993 6.153 1.00 0.62 C ATOM 477 C TYR A 32 -6.553 5.228 6.719 1.00 0.53 C ATOM 478 O TYR A 32 -6.391 6.087 7.584 1.00 0.60 O ATOM 479 CB TYR A 32 -8.834 4.209 7.143 1.00 0.76 C ATOM 480 CG TYR A 32 -10.330 4.474 7.055 1.00 0.93 C ATOM 481 CD1 TYR A 32 -11.040 4.259 5.856 1.00 2.20 C ATOM 482 CD2 TYR A 32 -11.031 4.871 8.211 1.00 1.59 C ATOM 483 CE1 TYR A 32 -12.432 4.458 5.812 1.00 2.33 C ATOM 484 CE2 TYR A 32 -12.426 5.034 8.174 1.00 1.67 C ATOM 485 CZ TYR A 32 -13.125 4.840 6.970 1.00 1.32 C ATOM 486 OH TYR A 32 -14.482 4.963 6.942 1.00 1.55 O ATOM 0 H TYR A 32 -7.510 3.352 4.951 1.00 0.57 H new ATOM 0 HA TYR A 32 -8.397 5.978 5.989 1.00 0.62 H new ATOM 0 HB2 TYR A 32 -8.662 3.144 6.987 1.00 0.76 H new ATOM 0 HB3 TYR A 32 -8.501 4.440 8.155 1.00 0.76 H new ATOM 0 HD1 TYR A 32 -10.514 3.940 4.968 1.00 2.20 H new ATOM 0 HD2 TYR A 32 -10.493 5.051 9.130 1.00 1.59 H new ATOM 0 HE1 TYR A 32 -12.968 4.316 4.885 1.00 2.33 H new ATOM 0 HE2 TYR A 32 -12.961 5.308 9.071 1.00 1.67 H new ATOM 0 HH TYR A 32 -14.804 5.234 7.827 1.00 1.55 H new ATOM 496 N SER A 33 -5.542 4.453 6.308 1.00 0.51 N ATOM 497 CA SER A 33 -4.170 4.642 6.760 1.00 0.45 C ATOM 498 C SER A 33 -3.201 4.019 5.760 1.00 0.40 C ATOM 499 O SER A 33 -3.598 3.155 4.982 1.00 0.50 O ATOM 500 CB SER A 33 -3.966 4.046 8.156 1.00 0.53 C ATOM 501 OG SER A 33 -2.863 4.665 8.784 1.00 0.78 O ATOM 0 H SER A 33 -5.658 3.680 5.653 1.00 0.51 H new ATOM 0 HA SER A 33 -3.970 5.712 6.823 1.00 0.45 H new ATOM 0 HB2 SER A 33 -4.865 4.187 8.757 1.00 0.53 H new ATOM 0 HB3 SER A 33 -3.798 2.972 8.082 1.00 0.53 H new ATOM 0 HG SER A 33 -2.738 4.282 9.677 1.00 0.78 H new ATOM 507 N ILE A 34 -1.945 4.460 5.805 1.00 0.50 N ATOM 508 CA ILE A 34 -0.945 4.275 4.761 1.00 0.50 C ATOM 509 C ILE A 34 0.128 3.220 5.065 1.00 0.49 C ATOM 510 O ILE A 34 0.443 2.925 6.214 1.00 0.64 O ATOM 511 CB ILE A 34 -0.247 5.616 4.539 1.00 0.76 C ATOM 512 CG1 ILE A 34 0.359 6.141 5.857 1.00 2.08 C ATOM 513 CG2 ILE A 34 -1.218 6.655 4.003 1.00 0.88 C ATOM 514 CD1 ILE A 34 1.753 6.685 5.612 1.00 3.10 C ATOM 0 H ILE A 34 -1.583 4.978 6.606 1.00 0.50 H new ATOM 0 HA ILE A 34 -1.481 3.913 3.884 1.00 0.50 H new ATOM 0 HB ILE A 34 0.546 5.451 3.809 1.00 0.76 H new ATOM 0 HG12 ILE A 34 -0.277 6.923 6.272 1.00 2.08 H new ATOM 0 HG13 ILE A 34 0.398 5.338 6.593 1.00 2.08 H new ATOM 0 HG21 ILE A 34 -0.695 7.600 3.854 1.00 0.88 H new ATOM 0 HG22 ILE A 34 -1.628 6.314 3.052 1.00 0.88 H new ATOM 0 HG23 ILE A 34 -2.029 6.798 4.717 1.00 0.88 H new ATOM 0 HD11 ILE A 34 2.170 7.053 6.550 1.00 3.10 H new ATOM 0 HD12 ILE A 34 2.389 5.892 5.218 1.00 3.10 H new ATOM 0 HD13 ILE A 34 1.703 7.502 4.892 1.00 3.10 H new ATOM 526 N LEU A 35 0.735 2.702 3.995 1.00 0.53 N ATOM 527 CA LEU A 35 1.599 1.546 3.987 1.00 0.76 C ATOM 528 C LEU A 35 3.054 1.857 4.381 1.00 0.92 C ATOM 529 O LEU A 35 3.929 1.943 3.529 1.00 1.77 O ATOM 530 CB LEU A 35 1.419 0.819 2.635 1.00 0.95 C ATOM 531 CG LEU A 35 2.257 1.229 1.401 1.00 0.89 C ATOM 532 CD1 LEU A 35 1.843 0.361 0.210 1.00 2.68 C ATOM 533 CD2 LEU A 35 2.166 2.718 1.063 1.00 2.31 C ATOM 0 H LEU A 35 0.623 3.109 3.066 1.00 0.53 H new ATOM 0 HA LEU A 35 1.302 0.858 4.779 1.00 0.76 H new ATOM 0 HB2 LEU A 35 1.606 -0.240 2.813 1.00 0.95 H new ATOM 0 HB3 LEU A 35 0.370 0.915 2.356 1.00 0.95 H new ATOM 0 HG LEU A 35 3.306 1.059 1.643 1.00 0.89 H new ATOM 0 HD11 LEU A 35 2.428 0.642 -0.666 1.00 2.68 H new ATOM 0 HD12 LEU A 35 2.022 -0.688 0.445 1.00 2.68 H new ATOM 0 HD13 LEU A 35 0.784 0.510 0.002 1.00 2.68 H new ATOM 0 HD21 LEU A 35 2.779 2.930 0.187 1.00 2.31 H new ATOM 0 HD22 LEU A 35 1.129 2.981 0.853 1.00 2.31 H new ATOM 0 HD23 LEU A 35 2.525 3.306 1.908 1.00 2.31 H new ATOM 545 N VAL A 36 3.349 1.977 5.680 1.00 0.54 N ATOM 546 CA VAL A 36 4.701 2.317 6.133 1.00 0.51 C ATOM 547 C VAL A 36 5.314 1.230 7.022 1.00 0.55 C ATOM 548 O VAL A 36 4.837 0.972 8.123 1.00 0.96 O ATOM 549 CB VAL A 36 4.706 3.711 6.786 1.00 0.54 C ATOM 550 CG1 VAL A 36 3.892 3.793 8.083 1.00 0.49 C ATOM 551 CG2 VAL A 36 6.150 4.168 7.034 1.00 0.79 C ATOM 0 H VAL A 36 2.673 1.844 6.432 1.00 0.54 H new ATOM 0 HA VAL A 36 5.352 2.362 5.260 1.00 0.51 H new ATOM 0 HB VAL A 36 4.214 4.381 6.081 1.00 0.54 H new ATOM 0 HG11 VAL A 36 3.944 4.806 8.482 1.00 0.49 H new ATOM 0 HG12 VAL A 36 2.853 3.538 7.877 1.00 0.49 H new ATOM 0 HG13 VAL A 36 4.300 3.094 8.813 1.00 0.49 H new ATOM 0 HG21 VAL A 36 6.145 5.155 7.496 1.00 0.79 H new ATOM 0 HG22 VAL A 36 6.647 3.460 7.697 1.00 0.79 H new ATOM 0 HG23 VAL A 36 6.685 4.214 6.085 1.00 0.79 H new ATOM 561 N ALA A 37 6.405 0.607 6.563 1.00 0.31 N ATOM 562 CA ALA A 37 7.308 -0.169 7.401 1.00 0.39 C ATOM 563 C ALA A 37 8.674 -0.249 6.709 1.00 0.50 C ATOM 564 O ALA A 37 9.304 -1.310 6.629 1.00 0.52 O ATOM 565 CB ALA A 37 6.683 -1.518 7.792 1.00 0.36 C ATOM 0 H ALA A 37 6.684 0.632 5.582 1.00 0.31 H new ATOM 0 HA ALA A 37 7.477 0.323 8.359 1.00 0.39 H new ATOM 0 HB1 ALA A 37 7.381 -2.075 8.417 1.00 0.36 H new ATOM 0 HB2 ALA A 37 5.759 -1.345 8.344 1.00 0.36 H new ATOM 0 HB3 ALA A 37 6.465 -2.093 6.892 1.00 0.36 H new ATOM 571 N LEU A 38 9.153 0.919 6.255 1.00 0.63 N ATOM 572 CA LEU A 38 10.476 1.105 5.674 1.00 0.78 C ATOM 573 C LEU A 38 11.564 0.635 6.648 1.00 0.85 C ATOM 574 O LEU A 38 12.618 0.176 6.222 1.00 0.97 O ATOM 575 CB LEU A 38 10.670 2.586 5.287 1.00 0.91 C ATOM 576 CG LEU A 38 11.762 2.733 4.215 1.00 0.93 C ATOM 577 CD1 LEU A 38 11.273 2.244 2.852 1.00 1.50 C ATOM 578 CD2 LEU A 38 12.281 4.166 4.049 1.00 1.79 C ATOM 0 H LEU A 38 8.608 1.781 6.286 1.00 0.63 H new ATOM 0 HA LEU A 38 10.560 0.499 4.772 1.00 0.78 H new ATOM 0 HB2 LEU A 38 9.731 2.995 4.914 1.00 0.91 H new ATOM 0 HB3 LEU A 38 10.941 3.165 6.170 1.00 0.91 H new ATOM 0 HG LEU A 38 12.585 2.115 4.575 1.00 0.93 H new ATOM 0 HD11 LEU A 38 12.069 2.362 2.116 1.00 1.50 H new ATOM 0 HD12 LEU A 38 10.995 1.192 2.921 1.00 1.50 H new ATOM 0 HD13 LEU A 38 10.406 2.829 2.545 1.00 1.50 H new ATOM 0 HD21 LEU A 38 13.048 4.188 3.275 1.00 1.79 H new ATOM 0 HD22 LEU A 38 11.458 4.820 3.762 1.00 1.79 H new ATOM 0 HD23 LEU A 38 12.706 4.510 4.992 1.00 1.79 H new ATOM 590 N MET A 39 11.270 0.716 7.955 1.00 0.86 N ATOM 591 CA MET A 39 12.072 0.193 9.059 1.00 0.98 C ATOM 592 C MET A 39 12.715 -1.165 8.743 1.00 0.87 C ATOM 593 O MET A 39 13.823 -1.442 9.195 1.00 1.04 O ATOM 594 CB MET A 39 11.200 0.123 10.328 1.00 1.06 C ATOM 595 CG MET A 39 10.081 -0.933 10.263 1.00 2.14 C ATOM 596 SD MET A 39 8.999 -1.070 11.710 1.00 3.31 S ATOM 597 CE MET A 39 8.091 0.491 11.642 1.00 3.99 C ATOM 0 H MET A 39 10.419 1.174 8.282 1.00 0.86 H new ATOM 0 HA MET A 39 12.904 0.877 9.224 1.00 0.98 H new ATOM 0 HB2 MET A 39 11.839 -0.093 11.184 1.00 1.06 H new ATOM 0 HB3 MET A 39 10.752 1.101 10.503 1.00 1.06 H new ATOM 0 HG2 MET A 39 9.460 -0.716 9.394 1.00 2.14 H new ATOM 0 HG3 MET A 39 10.542 -1.906 10.091 1.00 2.14 H new ATOM 0 HE1 MET A 39 7.377 0.533 12.464 1.00 3.99 H new ATOM 0 HE2 MET A 39 8.790 1.323 11.726 1.00 3.99 H new ATOM 0 HE3 MET A 39 7.557 0.560 10.694 1.00 3.99 H new ATOM 607 N ALA A 40 11.999 -2.014 7.997 1.00 0.67 N ATOM 608 CA ALA A 40 12.473 -3.326 7.571 1.00 0.65 C ATOM 609 C ALA A 40 12.244 -3.544 6.072 1.00 0.66 C ATOM 610 O ALA A 40 13.124 -4.063 5.391 1.00 0.87 O ATOM 611 CB ALA A 40 11.786 -4.400 8.417 1.00 0.69 C ATOM 0 H ALA A 40 11.057 -1.800 7.669 1.00 0.67 H new ATOM 0 HA ALA A 40 13.550 -3.390 7.727 1.00 0.65 H new ATOM 0 HB1 ALA A 40 12.134 -5.385 8.106 1.00 0.69 H new ATOM 0 HB2 ALA A 40 12.028 -4.245 9.468 1.00 0.69 H new ATOM 0 HB3 ALA A 40 10.707 -4.336 8.280 1.00 0.69 H new ATOM 617 N GLY A 41 11.066 -3.171 5.561 1.00 0.57 N ATOM 618 CA GLY A 41 10.724 -3.233 4.147 1.00 0.64 C ATOM 619 C GLY A 41 9.385 -3.935 3.949 1.00 0.56 C ATOM 620 O GLY A 41 9.275 -4.860 3.146 1.00 0.70 O ATOM 0 H GLY A 41 10.308 -2.809 6.140 1.00 0.57 H new ATOM 0 HA2 GLY A 41 10.677 -2.225 3.734 1.00 0.64 H new ATOM 0 HA3 GLY A 41 11.504 -3.765 3.602 1.00 0.64 H new ATOM 624 N LYS A 42 8.368 -3.507 4.703 1.00 0.44 N ATOM 625 CA LYS A 42 6.994 -3.988 4.600 1.00 0.38 C ATOM 626 C LYS A 42 6.079 -2.768 4.638 1.00 0.36 C ATOM 627 O LYS A 42 6.559 -1.643 4.779 1.00 0.44 O ATOM 628 CB LYS A 42 6.665 -4.945 5.754 1.00 0.46 C ATOM 629 CG LYS A 42 7.417 -6.279 5.642 1.00 0.62 C ATOM 630 CD LYS A 42 7.613 -6.942 7.011 1.00 1.31 C ATOM 631 CE LYS A 42 8.554 -6.090 7.877 1.00 2.15 C ATOM 632 NZ LYS A 42 9.109 -6.851 9.017 1.00 3.07 N ATOM 0 H LYS A 42 8.486 -2.794 5.423 1.00 0.44 H new ATOM 0 HA LYS A 42 6.855 -4.542 3.672 1.00 0.38 H new ATOM 0 HB2 LYS A 42 6.917 -4.468 6.701 1.00 0.46 H new ATOM 0 HB3 LYS A 42 5.592 -5.136 5.769 1.00 0.46 H new ATOM 0 HG2 LYS A 42 6.864 -6.953 4.988 1.00 0.62 H new ATOM 0 HG3 LYS A 42 8.389 -6.110 5.178 1.00 0.62 H new ATOM 0 HD2 LYS A 42 6.651 -7.057 7.510 1.00 1.31 H new ATOM 0 HD3 LYS A 42 8.028 -7.942 6.884 1.00 1.31 H new ATOM 0 HE2 LYS A 42 9.371 -5.715 7.261 1.00 2.15 H new ATOM 0 HE3 LYS A 42 8.013 -5.221 8.252 1.00 2.15 H new ATOM 0 HZ1 LYS A 42 9.737 -6.236 9.572 1.00 3.07 H new ATOM 0 HZ2 LYS A 42 8.332 -7.188 9.621 1.00 3.07 H new ATOM 0 HZ3 LYS A 42 9.649 -7.666 8.661 1.00 3.07 H new ATOM 646 N ALA A 43 4.775 -2.996 4.496 1.00 0.33 N ATOM 647 CA ALA A 43 3.774 -1.969 4.309 1.00 0.33 C ATOM 648 C ALA A 43 2.498 -2.372 5.048 1.00 0.34 C ATOM 649 O ALA A 43 2.115 -3.539 4.991 1.00 0.49 O ATOM 650 CB ALA A 43 3.527 -1.857 2.810 1.00 0.39 C ATOM 0 H ALA A 43 4.381 -3.937 4.510 1.00 0.33 H new ATOM 0 HA ALA A 43 4.100 -1.007 4.706 1.00 0.33 H new ATOM 0 HB1 ALA A 43 2.775 -1.091 2.621 1.00 0.39 H new ATOM 0 HB2 ALA A 43 4.456 -1.586 2.307 1.00 0.39 H new ATOM 0 HB3 ALA A 43 3.173 -2.814 2.427 1.00 0.39 H new ATOM 656 N GLU A 44 1.835 -1.428 5.724 1.00 0.32 N ATOM 657 CA GLU A 44 0.643 -1.725 6.512 1.00 0.39 C ATOM 658 C GLU A 44 -0.425 -0.675 6.218 1.00 0.39 C ATOM 659 O GLU A 44 -0.440 0.377 6.848 1.00 0.53 O ATOM 660 CB GLU A 44 1.036 -1.783 7.993 1.00 0.51 C ATOM 661 CG GLU A 44 -0.183 -2.069 8.879 1.00 2.17 C ATOM 662 CD GLU A 44 0.200 -2.397 10.319 1.00 2.14 C ATOM 663 OE1 GLU A 44 1.410 -2.467 10.613 1.00 1.69 O ATOM 664 OE2 GLU A 44 -0.748 -2.604 11.109 1.00 3.19 O ATOM 0 H GLU A 44 2.110 -0.446 5.738 1.00 0.32 H new ATOM 0 HA GLU A 44 0.219 -2.694 6.247 1.00 0.39 H new ATOM 0 HB2 GLU A 44 1.788 -2.558 8.143 1.00 0.51 H new ATOM 0 HB3 GLU A 44 1.490 -0.837 8.289 1.00 0.51 H new ATOM 0 HG2 GLU A 44 -0.844 -1.202 8.872 1.00 2.17 H new ATOM 0 HG3 GLU A 44 -0.746 -2.902 8.458 1.00 2.17 H new ATOM 671 N VAL A 45 -1.295 -0.932 5.239 1.00 0.45 N ATOM 672 CA VAL A 45 -2.305 0.030 4.804 1.00 0.44 C ATOM 673 C VAL A 45 -3.652 -0.363 5.401 1.00 0.53 C ATOM 674 O VAL A 45 -4.060 -1.526 5.337 1.00 1.00 O ATOM 675 CB VAL A 45 -2.325 0.195 3.268 1.00 0.52 C ATOM 676 CG1 VAL A 45 -1.799 -1.026 2.519 1.00 1.60 C ATOM 677 CG2 VAL A 45 -3.700 0.555 2.699 1.00 1.55 C ATOM 0 H VAL A 45 -1.318 -1.814 4.727 1.00 0.45 H new ATOM 0 HA VAL A 45 -2.054 1.022 5.178 1.00 0.44 H new ATOM 0 HB VAL A 45 -1.650 1.035 3.103 1.00 0.52 H new ATOM 0 HG11 VAL A 45 -1.842 -0.841 1.446 1.00 1.60 H new ATOM 0 HG12 VAL A 45 -0.767 -1.217 2.813 1.00 1.60 H new ATOM 0 HG13 VAL A 45 -2.412 -1.894 2.762 1.00 1.60 H new ATOM 0 HG21 VAL A 45 -3.631 0.653 1.616 1.00 1.55 H new ATOM 0 HG22 VAL A 45 -4.414 -0.231 2.947 1.00 1.55 H new ATOM 0 HG23 VAL A 45 -4.036 1.499 3.128 1.00 1.55 H new ATOM 687 N ARG A 46 -4.360 0.616 5.973 1.00 0.33 N ATOM 688 CA ARG A 46 -5.684 0.367 6.504 1.00 0.34 C ATOM 689 C ARG A 46 -6.681 0.463 5.358 1.00 0.41 C ATOM 690 O ARG A 46 -7.267 1.518 5.107 1.00 0.66 O ATOM 691 CB ARG A 46 -6.033 1.270 7.685 1.00 0.61 C ATOM 692 CG ARG A 46 -7.336 0.740 8.283 1.00 0.70 C ATOM 693 CD ARG A 46 -7.729 1.453 9.578 1.00 1.03 C ATOM 694 NE ARG A 46 -8.746 0.658 10.277 1.00 1.84 N ATOM 695 CZ ARG A 46 -9.237 0.885 11.501 1.00 2.34 C ATOM 696 NH1 ARG A 46 -8.852 1.962 12.196 1.00 1.99 N ATOM 697 NH2 ARG A 46 -10.115 0.008 11.994 1.00 3.79 N ATOM 0 H ARG A 46 -4.033 1.577 6.075 1.00 0.33 H new ATOM 0 HA ARG A 46 -5.721 -0.638 6.925 1.00 0.34 H new ATOM 0 HB2 ARG A 46 -5.235 1.259 8.428 1.00 0.61 H new ATOM 0 HB3 ARG A 46 -6.151 2.303 7.359 1.00 0.61 H new ATOM 0 HG2 ARG A 46 -8.138 0.854 7.553 1.00 0.70 H new ATOM 0 HG3 ARG A 46 -7.233 -0.327 8.479 1.00 0.70 H new ATOM 0 HD2 ARG A 46 -6.854 1.586 10.214 1.00 1.03 H new ATOM 0 HD3 ARG A 46 -8.116 2.447 9.357 1.00 1.03 H new ATOM 0 HE ARG A 46 -9.117 -0.151 9.778 1.00 1.84 H new ATOM 0 HH11 ARG A 46 -8.181 2.616 11.793 1.00 1.99 H new ATOM 0 HH12 ARG A 46 -9.230 2.129 13.128 1.00 1.99 H new ATOM 0 HH21 ARG A 46 -10.391 -0.803 11.441 1.00 3.79 H new ATOM 0 HH22 ARG A 46 -10.510 0.149 12.924 1.00 3.79 H new ATOM 711 N TYR A 47 -6.832 -0.661 4.668 1.00 1.16 N ATOM 712 CA TYR A 47 -7.658 -0.796 3.491 1.00 1.41 C ATOM 713 C TYR A 47 -9.120 -1.042 3.868 1.00 1.32 C ATOM 714 O TYR A 47 -9.417 -1.494 4.978 1.00 1.39 O ATOM 715 CB TYR A 47 -7.060 -1.909 2.616 1.00 1.51 C ATOM 716 CG TYR A 47 -7.506 -3.355 2.830 1.00 1.31 C ATOM 717 CD1 TYR A 47 -7.677 -3.870 4.131 1.00 2.07 C ATOM 718 CD2 TYR A 47 -7.444 -4.265 1.753 1.00 2.40 C ATOM 719 CE1 TYR A 47 -7.832 -5.253 4.339 1.00 2.22 C ATOM 720 CE2 TYR A 47 -7.734 -5.626 1.944 1.00 2.26 C ATOM 721 CZ TYR A 47 -7.917 -6.123 3.241 1.00 1.34 C ATOM 722 OH TYR A 47 -8.162 -7.448 3.430 1.00 1.48 O ATOM 0 H TYR A 47 -6.363 -1.529 4.928 1.00 1.16 H new ATOM 0 HA TYR A 47 -7.664 0.130 2.916 1.00 1.41 H new ATOM 0 HB2 TYR A 47 -7.266 -1.654 1.577 1.00 1.51 H new ATOM 0 HB3 TYR A 47 -5.978 -1.879 2.743 1.00 1.51 H new ATOM 0 HD1 TYR A 47 -7.689 -3.197 4.976 1.00 2.07 H new ATOM 0 HD2 TYR A 47 -7.170 -3.911 0.770 1.00 2.40 H new ATOM 0 HE1 TYR A 47 -7.886 -5.645 5.344 1.00 2.22 H new ATOM 0 HE2 TYR A 47 -7.816 -6.287 1.094 1.00 2.26 H new ATOM 0 HH TYR A 47 -8.189 -7.903 2.562 1.00 1.48 H new ATOM 732 N ASN A 48 -10.048 -0.746 2.954 1.00 1.27 N ATOM 733 CA ASN A 48 -11.456 -1.033 3.176 1.00 1.31 C ATOM 734 C ASN A 48 -12.011 -2.001 2.124 1.00 1.19 C ATOM 735 O ASN A 48 -12.498 -1.557 1.079 1.00 1.16 O ATOM 736 CB ASN A 48 -12.236 0.281 3.240 1.00 1.56 C ATOM 737 CG ASN A 48 -13.424 0.056 4.161 1.00 1.41 C ATOM 738 OD1 ASN A 48 -14.176 -0.891 3.957 1.00 1.79 O ATOM 739 ND2 ASN A 48 -13.555 0.837 5.227 1.00 2.35 N ATOM 0 H ASN A 48 -9.844 -0.308 2.056 1.00 1.27 H new ATOM 0 HA ASN A 48 -11.572 -1.543 4.132 1.00 1.31 H new ATOM 0 HB2 ASN A 48 -11.604 1.085 3.617 1.00 1.56 H new ATOM 0 HB3 ASN A 48 -12.571 0.578 2.246 1.00 1.56 H new ATOM 0 HD21 ASN A 48 -14.297 0.656 5.903 1.00 2.35 H new ATOM 0 HD22 ASN A 48 -12.914 1.617 5.369 1.00 2.35 H new ATOM 746 N PRO A 49 -11.951 -3.325 2.362 1.00 1.14 N ATOM 747 CA PRO A 49 -12.329 -4.329 1.377 1.00 1.15 C ATOM 748 C PRO A 49 -13.856 -4.474 1.317 1.00 1.16 C ATOM 749 O PRO A 49 -14.400 -5.547 1.564 1.00 1.42 O ATOM 750 CB PRO A 49 -11.626 -5.610 1.842 1.00 1.27 C ATOM 751 CG PRO A 49 -11.651 -5.470 3.362 1.00 1.23 C ATOM 752 CD PRO A 49 -11.442 -3.968 3.566 1.00 1.18 C ATOM 0 HA PRO A 49 -12.030 -4.069 0.361 1.00 1.15 H new ATOM 0 HB2 PRO A 49 -12.152 -6.505 1.509 1.00 1.27 H new ATOM 0 HB3 PRO A 49 -10.608 -5.676 1.458 1.00 1.27 H new ATOM 0 HG2 PRO A 49 -12.597 -5.808 3.784 1.00 1.23 H new ATOM 0 HG3 PRO A 49 -10.863 -6.056 3.835 1.00 1.23 H new ATOM 0 HD2 PRO A 49 -11.973 -3.617 4.450 1.00 1.18 H new ATOM 0 HD3 PRO A 49 -10.387 -3.737 3.715 1.00 1.18 H new ATOM 760 N ALA A 50 -14.544 -3.379 0.993 1.00 0.91 N ATOM 761 CA ALA A 50 -15.994 -3.263 1.033 1.00 0.95 C ATOM 762 C ALA A 50 -16.416 -1.936 0.408 1.00 1.01 C ATOM 763 O ALA A 50 -17.305 -1.901 -0.435 1.00 1.35 O ATOM 764 CB ALA A 50 -16.491 -3.340 2.482 1.00 1.57 C ATOM 0 H ALA A 50 -14.087 -2.521 0.685 1.00 0.91 H new ATOM 0 HA ALA A 50 -16.434 -4.085 0.469 1.00 0.95 H new ATOM 0 HB1 ALA A 50 -17.577 -3.252 2.499 1.00 1.57 H new ATOM 0 HB2 ALA A 50 -16.197 -4.295 2.917 1.00 1.57 H new ATOM 0 HB3 ALA A 50 -16.052 -2.527 3.061 1.00 1.57 H new ATOM 770 N VAL A 51 -15.774 -0.840 0.824 1.00 1.31 N ATOM 771 CA VAL A 51 -16.120 0.497 0.362 1.00 2.03 C ATOM 772 C VAL A 51 -15.616 0.663 -1.069 1.00 1.82 C ATOM 773 O VAL A 51 -16.320 1.212 -1.911 1.00 2.89 O ATOM 774 CB VAL A 51 -15.505 1.534 1.313 1.00 2.56 C ATOM 775 CG1 VAL A 51 -15.774 2.977 0.870 1.00 3.26 C ATOM 776 CG2 VAL A 51 -16.090 1.377 2.725 1.00 3.56 C ATOM 0 H VAL A 51 -15.002 -0.860 1.490 1.00 1.31 H new ATOM 0 HA VAL A 51 -17.200 0.646 0.363 1.00 2.03 H new ATOM 0 HB VAL A 51 -14.431 1.350 1.301 1.00 2.56 H new ATOM 0 HG11 VAL A 51 -15.316 3.667 1.579 1.00 3.26 H new ATOM 0 HG12 VAL A 51 -15.348 3.139 -0.120 1.00 3.26 H new ATOM 0 HG13 VAL A 51 -16.849 3.153 0.836 1.00 3.26 H new ATOM 0 HG21 VAL A 51 -15.645 2.119 3.388 1.00 3.56 H new ATOM 0 HG22 VAL A 51 -17.170 1.523 2.690 1.00 3.56 H new ATOM 0 HG23 VAL A 51 -15.871 0.377 3.100 1.00 3.56 H new ATOM 786 N ILE A 52 -14.392 0.188 -1.321 1.00 0.93 N ATOM 787 CA ILE A 52 -13.749 0.271 -2.621 1.00 1.52 C ATOM 788 C ILE A 52 -13.785 -1.095 -3.307 1.00 1.98 C ATOM 789 O ILE A 52 -14.642 -1.318 -4.155 1.00 3.31 O ATOM 790 CB ILE A 52 -12.369 0.950 -2.499 1.00 1.71 C ATOM 791 CG1 ILE A 52 -11.657 1.043 -3.869 1.00 2.71 C ATOM 792 CG2 ILE A 52 -11.477 0.477 -1.336 1.00 1.60 C ATOM 793 CD1 ILE A 52 -10.207 0.566 -3.859 1.00 3.31 C ATOM 0 H ILE A 52 -13.818 -0.270 -0.613 1.00 0.93 H new ATOM 0 HA ILE A 52 -14.299 0.927 -3.296 1.00 1.52 H new ATOM 0 HB ILE A 52 -12.585 1.972 -2.187 1.00 1.71 H new ATOM 0 HG12 ILE A 52 -12.216 0.454 -4.596 1.00 2.71 H new ATOM 0 HG13 ILE A 52 -11.684 2.078 -4.209 1.00 2.71 H new ATOM 0 HG21 ILE A 52 -10.535 1.025 -1.354 1.00 1.60 H new ATOM 0 HG22 ILE A 52 -11.986 0.660 -0.390 1.00 1.60 H new ATOM 0 HG23 ILE A 52 -11.278 -0.590 -1.441 1.00 1.60 H new ATOM 0 HD11 ILE A 52 -9.784 0.666 -4.859 1.00 3.31 H new ATOM 0 HD12 ILE A 52 -9.630 1.170 -3.159 1.00 3.31 H new ATOM 0 HD13 ILE A 52 -10.170 -0.479 -3.552 1.00 3.31 H new ATOM 805 N GLN A 53 -12.874 -1.999 -2.933 1.00 1.15 N ATOM 806 CA GLN A 53 -12.651 -3.326 -3.515 1.00 1.30 C ATOM 807 C GLN A 53 -11.246 -3.814 -3.110 1.00 1.18 C ATOM 808 O GLN A 53 -10.265 -3.134 -3.421 1.00 0.98 O ATOM 809 CB GLN A 53 -12.756 -3.316 -5.058 1.00 1.31 C ATOM 810 CG GLN A 53 -14.076 -3.880 -5.611 1.00 1.83 C ATOM 811 CD GLN A 53 -14.119 -5.403 -5.560 1.00 1.92 C ATOM 812 OE1 GLN A 53 -13.495 -6.074 -6.374 1.00 2.88 O ATOM 813 NE2 GLN A 53 -14.842 -5.973 -4.601 1.00 1.95 N ATOM 0 H GLN A 53 -12.230 -1.810 -2.165 1.00 1.15 H new ATOM 0 HA GLN A 53 -13.426 -3.993 -3.136 1.00 1.30 H new ATOM 0 HB2 GLN A 53 -12.637 -2.292 -5.411 1.00 1.31 H new ATOM 0 HB3 GLN A 53 -11.928 -3.893 -5.470 1.00 1.31 H new ATOM 0 HG2 GLN A 53 -14.910 -3.476 -5.038 1.00 1.83 H new ATOM 0 HG3 GLN A 53 -14.207 -3.549 -6.641 1.00 1.83 H new ATOM 0 HE21 GLN A 53 -15.353 -5.394 -3.935 1.00 1.95 H new ATOM 0 HE22 GLN A 53 -14.886 -6.990 -4.531 1.00 1.95 H new ATOM 822 N PRO A 54 -11.108 -4.985 -2.459 1.00 1.37 N ATOM 823 CA PRO A 54 -9.807 -5.540 -2.110 1.00 1.39 C ATOM 824 C PRO A 54 -8.805 -5.609 -3.276 1.00 1.20 C ATOM 825 O PRO A 54 -7.671 -5.170 -3.087 1.00 1.21 O ATOM 826 CB PRO A 54 -10.049 -6.899 -1.444 1.00 1.68 C ATOM 827 CG PRO A 54 -11.532 -7.206 -1.651 1.00 1.84 C ATOM 828 CD PRO A 54 -12.180 -5.878 -2.043 1.00 1.67 C ATOM 0 HA PRO A 54 -9.313 -4.860 -1.415 1.00 1.39 H new ATOM 0 HB2 PRO A 54 -9.424 -7.671 -1.892 1.00 1.68 H new ATOM 0 HB3 PRO A 54 -9.801 -6.864 -0.383 1.00 1.68 H new ATOM 0 HG2 PRO A 54 -11.671 -7.955 -2.431 1.00 1.84 H new ATOM 0 HG3 PRO A 54 -11.979 -7.606 -0.741 1.00 1.84 H new ATOM 0 HD2 PRO A 54 -12.896 -6.023 -2.852 1.00 1.67 H new ATOM 0 HD3 PRO A 54 -12.730 -5.455 -1.202 1.00 1.67 H new ATOM 836 N PRO A 55 -9.152 -6.140 -4.466 1.00 1.11 N ATOM 837 CA PRO A 55 -8.207 -6.176 -5.575 1.00 0.98 C ATOM 838 C PRO A 55 -7.767 -4.766 -5.976 1.00 0.86 C ATOM 839 O PRO A 55 -6.582 -4.540 -6.227 1.00 1.02 O ATOM 840 CB PRO A 55 -8.906 -6.926 -6.717 1.00 1.08 C ATOM 841 CG PRO A 55 -10.391 -6.783 -6.395 1.00 1.20 C ATOM 842 CD PRO A 55 -10.409 -6.762 -4.868 1.00 1.24 C ATOM 0 HA PRO A 55 -7.287 -6.691 -5.299 1.00 0.98 H new ATOM 0 HB2 PRO A 55 -8.664 -6.492 -7.687 1.00 1.08 H new ATOM 0 HB3 PRO A 55 -8.604 -7.973 -6.752 1.00 1.08 H new ATOM 0 HG2 PRO A 55 -10.809 -5.869 -6.816 1.00 1.20 H new ATOM 0 HG3 PRO A 55 -10.973 -7.614 -6.794 1.00 1.20 H new ATOM 0 HD2 PRO A 55 -11.263 -6.196 -4.494 1.00 1.24 H new ATOM 0 HD3 PRO A 55 -10.493 -7.771 -4.464 1.00 1.24 H new ATOM 850 N MET A 56 -8.706 -3.812 -6.007 1.00 0.86 N ATOM 851 CA MET A 56 -8.403 -2.482 -6.492 1.00 0.75 C ATOM 852 C MET A 56 -7.384 -1.800 -5.585 1.00 0.75 C ATOM 853 O MET A 56 -6.489 -1.141 -6.099 1.00 0.77 O ATOM 854 CB MET A 56 -9.671 -1.644 -6.671 1.00 0.86 C ATOM 855 CG MET A 56 -10.520 -2.138 -7.850 1.00 1.39 C ATOM 856 SD MET A 56 -11.861 -1.030 -8.362 1.00 2.19 S ATOM 857 CE MET A 56 -10.922 0.379 -9.001 1.00 2.75 C ATOM 0 H MET A 56 -9.670 -3.945 -5.702 1.00 0.86 H new ATOM 0 HA MET A 56 -7.953 -2.575 -7.481 1.00 0.75 H new ATOM 0 HB2 MET A 56 -10.263 -1.681 -5.756 1.00 0.86 H new ATOM 0 HB3 MET A 56 -9.398 -0.601 -6.832 1.00 0.86 H new ATOM 0 HG2 MET A 56 -9.863 -2.304 -8.704 1.00 1.39 H new ATOM 0 HG3 MET A 56 -10.951 -3.104 -7.586 1.00 1.39 H new ATOM 0 HE1 MET A 56 -11.576 1.009 -9.603 1.00 2.75 H new ATOM 0 HE2 MET A 56 -10.525 0.959 -8.168 1.00 2.75 H new ATOM 0 HE3 MET A 56 -10.098 0.018 -9.617 1.00 2.75 H new ATOM 867 N ILE A 57 -7.490 -1.968 -4.261 1.00 0.85 N ATOM 868 CA ILE A 57 -6.483 -1.464 -3.323 1.00 1.00 C ATOM 869 C ILE A 57 -5.055 -1.830 -3.774 1.00 0.94 C ATOM 870 O ILE A 57 -4.278 -0.942 -4.127 1.00 1.01 O ATOM 871 CB ILE A 57 -6.829 -1.916 -1.887 1.00 1.33 C ATOM 872 CG1 ILE A 57 -7.932 -1.005 -1.310 1.00 1.76 C ATOM 873 CG2 ILE A 57 -5.602 -1.856 -0.964 1.00 1.85 C ATOM 874 CD1 ILE A 57 -8.946 -1.719 -0.407 1.00 2.68 C ATOM 0 H ILE A 57 -8.269 -2.452 -3.814 1.00 0.85 H new ATOM 0 HA ILE A 57 -6.502 -0.374 -3.319 1.00 1.00 H new ATOM 0 HB ILE A 57 -7.173 -2.949 -1.938 1.00 1.33 H new ATOM 0 HG12 ILE A 57 -7.461 -0.203 -0.741 1.00 1.76 H new ATOM 0 HG13 ILE A 57 -8.468 -0.538 -2.136 1.00 1.76 H new ATOM 0 HG21 ILE A 57 -5.884 -2.181 0.038 1.00 1.85 H new ATOM 0 HG22 ILE A 57 -4.822 -2.511 -1.352 1.00 1.85 H new ATOM 0 HG23 ILE A 57 -5.228 -0.833 -0.922 1.00 1.85 H new ATOM 0 HD11 ILE A 57 -9.683 -1.000 -0.048 1.00 2.68 H new ATOM 0 HD12 ILE A 57 -9.449 -2.502 -0.974 1.00 2.68 H new ATOM 0 HD13 ILE A 57 -8.427 -2.162 0.443 1.00 2.68 H new ATOM 886 N ALA A 58 -4.680 -3.116 -3.765 1.00 0.87 N ATOM 887 CA ALA A 58 -3.380 -3.554 -4.251 1.00 0.92 C ATOM 888 C ALA A 58 -3.092 -3.007 -5.650 1.00 0.84 C ATOM 889 O ALA A 58 -2.034 -2.426 -5.885 1.00 0.84 O ATOM 890 CB ALA A 58 -3.309 -5.084 -4.227 1.00 1.00 C ATOM 0 H ALA A 58 -5.271 -3.873 -3.421 1.00 0.87 H new ATOM 0 HA ALA A 58 -2.610 -3.156 -3.590 1.00 0.92 H new ATOM 0 HB1 ALA A 58 -2.334 -5.409 -4.591 1.00 1.00 H new ATOM 0 HB2 ALA A 58 -3.451 -5.439 -3.206 1.00 1.00 H new ATOM 0 HB3 ALA A 58 -4.091 -5.495 -4.866 1.00 1.00 H new ATOM 896 N GLU A 59 -4.012 -3.189 -6.597 1.00 0.80 N ATOM 897 CA GLU A 59 -3.766 -2.789 -7.970 1.00 0.74 C ATOM 898 C GLU A 59 -3.462 -1.300 -8.129 1.00 0.67 C ATOM 899 O GLU A 59 -2.586 -0.952 -8.917 1.00 0.73 O ATOM 900 CB GLU A 59 -4.929 -3.224 -8.836 1.00 0.74 C ATOM 901 CG GLU A 59 -4.819 -4.737 -9.095 1.00 0.98 C ATOM 902 CD GLU A 59 -6.026 -5.333 -9.804 1.00 1.89 C ATOM 903 OE1 GLU A 59 -6.977 -4.574 -10.084 1.00 2.82 O ATOM 904 OE2 GLU A 59 -5.951 -6.556 -10.053 1.00 2.68 O ATOM 0 H GLU A 59 -4.927 -3.609 -6.434 1.00 0.80 H new ATOM 0 HA GLU A 59 -2.859 -3.294 -8.302 1.00 0.74 H new ATOM 0 HB2 GLU A 59 -5.873 -2.994 -8.343 1.00 0.74 H new ATOM 0 HB3 GLU A 59 -4.921 -2.678 -9.780 1.00 0.74 H new ATOM 0 HG2 GLU A 59 -3.928 -4.929 -9.693 1.00 0.98 H new ATOM 0 HG3 GLU A 59 -4.680 -5.249 -8.143 1.00 0.98 H new ATOM 911 N PHE A 60 -4.121 -0.429 -7.362 1.00 0.63 N ATOM 912 CA PHE A 60 -3.751 0.970 -7.251 1.00 0.61 C ATOM 913 C PHE A 60 -2.246 1.108 -7.059 1.00 0.61 C ATOM 914 O PHE A 60 -1.600 1.903 -7.723 1.00 0.75 O ATOM 915 CB PHE A 60 -4.490 1.618 -6.071 1.00 0.60 C ATOM 916 CG PHE A 60 -5.106 2.946 -6.429 1.00 0.69 C ATOM 917 CD1 PHE A 60 -4.288 4.060 -6.690 1.00 1.77 C ATOM 918 CD2 PHE A 60 -6.501 3.051 -6.552 1.00 2.12 C ATOM 919 CE1 PHE A 60 -4.874 5.290 -7.026 1.00 1.78 C ATOM 920 CE2 PHE A 60 -7.083 4.275 -6.903 1.00 2.22 C ATOM 921 CZ PHE A 60 -6.273 5.404 -7.125 1.00 0.99 C ATOM 0 H PHE A 60 -4.932 -0.684 -6.799 1.00 0.63 H new ATOM 0 HA PHE A 60 -4.035 1.479 -8.172 1.00 0.61 H new ATOM 0 HB2 PHE A 60 -5.271 0.942 -5.721 1.00 0.60 H new ATOM 0 HB3 PHE A 60 -3.794 1.756 -5.244 1.00 0.60 H new ATOM 0 HD1 PHE A 60 -3.213 3.969 -6.632 1.00 1.77 H new ATOM 0 HD2 PHE A 60 -7.125 2.187 -6.376 1.00 2.12 H new ATOM 0 HE1 PHE A 60 -4.249 6.152 -7.209 1.00 1.78 H new ATOM 0 HE2 PHE A 60 -8.155 4.353 -7.004 1.00 2.22 H new ATOM 0 HZ PHE A 60 -6.723 6.354 -7.370 1.00 0.99 H new ATOM 931 N ILE A 61 -1.666 0.307 -6.167 1.00 0.56 N ATOM 932 CA ILE A 61 -0.238 0.390 -5.886 1.00 0.56 C ATOM 933 C ILE A 61 0.530 -0.146 -7.092 1.00 0.57 C ATOM 934 O ILE A 61 1.565 0.389 -7.489 1.00 0.58 O ATOM 935 CB ILE A 61 0.089 -0.348 -4.574 1.00 0.60 C ATOM 936 CG1 ILE A 61 -0.656 0.286 -3.382 1.00 0.66 C ATOM 937 CG2 ILE A 61 1.600 -0.321 -4.329 1.00 0.67 C ATOM 938 CD1 ILE A 61 -0.761 -0.681 -2.198 1.00 0.69 C ATOM 0 H ILE A 61 -2.162 -0.404 -5.629 1.00 0.56 H new ATOM 0 HA ILE A 61 0.070 1.424 -5.733 1.00 0.56 H new ATOM 0 HB ILE A 61 -0.243 -1.382 -4.667 1.00 0.60 H new ATOM 0 HG12 ILE A 61 -0.136 1.191 -3.068 1.00 0.66 H new ATOM 0 HG13 ILE A 61 -1.656 0.586 -3.696 1.00 0.66 H new ATOM 0 HG21 ILE A 61 1.827 -0.844 -3.400 1.00 0.67 H new ATOM 0 HG22 ILE A 61 2.112 -0.812 -5.157 1.00 0.67 H new ATOM 0 HG23 ILE A 61 1.938 0.713 -4.256 1.00 0.67 H new ATOM 0 HD11 ILE A 61 -1.292 -0.197 -1.379 1.00 0.69 H new ATOM 0 HD12 ILE A 61 -1.305 -1.575 -2.505 1.00 0.69 H new ATOM 0 HD13 ILE A 61 0.239 -0.961 -1.867 1.00 0.69 H new ATOM 950 N ARG A 62 0.002 -1.204 -7.707 1.00 0.63 N ATOM 951 CA ARG A 62 0.575 -1.768 -8.914 1.00 0.72 C ATOM 952 C ARG A 62 0.513 -0.810 -10.113 1.00 0.76 C ATOM 953 O ARG A 62 1.113 -1.143 -11.133 1.00 0.92 O ATOM 954 CB ARG A 62 -0.053 -3.127 -9.260 1.00 0.81 C ATOM 955 CG ARG A 62 -0.006 -4.121 -8.088 1.00 0.87 C ATOM 956 CD ARG A 62 -0.860 -5.367 -8.364 1.00 1.29 C ATOM 957 NE ARG A 62 -0.078 -6.457 -8.962 1.00 1.41 N ATOM 958 CZ ARG A 62 -0.602 -7.635 -9.340 1.00 2.04 C ATOM 959 NH1 ARG A 62 -1.929 -7.813 -9.336 1.00 2.74 N ATOM 960 NH2 ARG A 62 0.210 -8.633 -9.709 1.00 2.37 N ATOM 0 H ARG A 62 -0.833 -1.688 -7.378 1.00 0.63 H new ATOM 0 HA ARG A 62 1.631 -1.928 -8.697 1.00 0.72 H new ATOM 0 HB2 ARG A 62 -1.090 -2.977 -9.562 1.00 0.81 H new ATOM 0 HB3 ARG A 62 0.469 -3.556 -10.115 1.00 0.81 H new ATOM 0 HG2 ARG A 62 1.026 -4.420 -7.906 1.00 0.87 H new ATOM 0 HG3 ARG A 62 -0.360 -3.631 -7.181 1.00 0.87 H new ATOM 0 HD2 ARG A 62 -1.307 -5.712 -7.432 1.00 1.29 H new ATOM 0 HD3 ARG A 62 -1.680 -5.102 -9.032 1.00 1.29 H new ATOM 0 HE ARG A 62 0.922 -6.311 -9.098 1.00 1.41 H new ATOM 0 HH11 ARG A 62 -2.545 -7.053 -9.046 1.00 2.74 H new ATOM 0 HH12 ARG A 62 -2.324 -8.708 -9.623 1.00 2.74 H new ATOM 0 HH21 ARG A 62 1.221 -8.497 -9.702 1.00 2.37 H new ATOM 0 HH22 ARG A 62 -0.182 -9.530 -9.997 1.00 2.37 H new ATOM 974 N GLU A 63 -0.152 0.358 -10.034 1.00 0.66 N ATOM 975 CA GLU A 63 -0.137 1.350 -11.114 1.00 0.73 C ATOM 976 C GLU A 63 1.293 1.651 -11.586 1.00 0.80 C ATOM 977 O GLU A 63 1.533 1.926 -12.760 1.00 0.95 O ATOM 978 CB GLU A 63 -0.876 2.636 -10.697 1.00 0.68 C ATOM 979 CG GLU A 63 -0.069 3.564 -9.770 1.00 1.76 C ATOM 980 CD GLU A 63 -0.859 4.808 -9.374 1.00 2.89 C ATOM 981 OE1 GLU A 63 -1.425 5.430 -10.299 1.00 3.63 O ATOM 982 OE2 GLU A 63 -0.849 5.140 -8.169 1.00 4.18 O ATOM 0 H GLU A 63 -0.709 0.635 -9.225 1.00 0.66 H new ATOM 0 HA GLU A 63 -0.672 0.921 -11.962 1.00 0.73 H new ATOM 0 HB2 GLU A 63 -1.151 3.190 -11.595 1.00 0.68 H new ATOM 0 HB3 GLU A 63 -1.804 2.361 -10.196 1.00 0.68 H new ATOM 0 HG2 GLU A 63 0.219 3.017 -8.872 1.00 1.76 H new ATOM 0 HG3 GLU A 63 0.852 3.864 -10.270 1.00 1.76 H new ATOM 989 N LEU A 64 2.250 1.559 -10.659 1.00 0.78 N ATOM 990 CA LEU A 64 3.654 1.868 -10.887 1.00 0.90 C ATOM 991 C LEU A 64 4.372 0.697 -11.564 1.00 1.05 C ATOM 992 O LEU A 64 5.475 0.861 -12.078 1.00 1.26 O ATOM 993 CB LEU A 64 4.338 2.070 -9.532 1.00 1.01 C ATOM 994 CG LEU A 64 3.627 3.021 -8.564 1.00 0.85 C ATOM 995 CD1 LEU A 64 4.074 2.652 -7.155 1.00 1.14 C ATOM 996 CD2 LEU A 64 3.948 4.490 -8.858 1.00 1.03 C ATOM 0 H LEU A 64 2.058 1.258 -9.703 1.00 0.78 H new ATOM 0 HA LEU A 64 3.706 2.756 -11.517 1.00 0.90 H new ATOM 0 HB2 LEU A 64 4.440 1.098 -9.049 1.00 1.01 H new ATOM 0 HB3 LEU A 64 5.346 2.446 -9.707 1.00 1.01 H new ATOM 0 HG LEU A 64 2.548 2.914 -8.677 1.00 0.85 H new ATOM 0 HD11 LEU A 64 3.587 3.310 -6.435 1.00 1.14 H new ATOM 0 HD12 LEU A 64 3.800 1.618 -6.945 1.00 1.14 H new ATOM 0 HD13 LEU A 64 5.155 2.764 -7.075 1.00 1.14 H new ATOM 0 HD21 LEU A 64 3.422 5.127 -8.147 1.00 1.03 H new ATOM 0 HD22 LEU A 64 5.022 4.653 -8.766 1.00 1.03 H new ATOM 0 HD23 LEU A 64 3.629 4.737 -9.871 1.00 1.03 H new ATOM 1008 N GLY A 65 3.792 -0.503 -11.484 1.00 0.99 N ATOM 1009 CA GLY A 65 4.413 -1.733 -11.949 1.00 1.10 C ATOM 1010 C GLY A 65 5.460 -2.254 -10.959 1.00 0.94 C ATOM 1011 O GLY A 65 6.395 -2.944 -11.356 1.00 1.06 O ATOM 0 H GLY A 65 2.863 -0.643 -11.087 1.00 0.99 H new ATOM 0 HA2 GLY A 65 3.646 -2.493 -12.099 1.00 1.10 H new ATOM 0 HA3 GLY A 65 4.883 -1.559 -12.917 1.00 1.10 H new ATOM 1015 N PHE A 66 5.294 -1.956 -9.665 1.00 0.80 N ATOM 1016 CA PHE A 66 6.192 -2.442 -8.621 1.00 0.75 C ATOM 1017 C PHE A 66 5.818 -3.864 -8.201 1.00 0.60 C ATOM 1018 O PHE A 66 4.669 -4.291 -8.331 1.00 0.62 O ATOM 1019 CB PHE A 66 6.164 -1.506 -7.403 1.00 0.83 C ATOM 1020 CG PHE A 66 7.299 -0.502 -7.380 1.00 0.85 C ATOM 1021 CD1 PHE A 66 7.372 0.493 -8.370 1.00 2.39 C ATOM 1022 CD2 PHE A 66 8.321 -0.601 -6.416 1.00 1.85 C ATOM 1023 CE1 PHE A 66 8.402 1.447 -8.337 1.00 2.63 C ATOM 1024 CE2 PHE A 66 9.366 0.338 -6.396 1.00 2.15 C ATOM 1025 CZ PHE A 66 9.395 1.376 -7.343 1.00 1.77 C ATOM 0 H PHE A 66 4.534 -1.372 -9.317 1.00 0.80 H new ATOM 0 HA PHE A 66 7.203 -2.456 -9.027 1.00 0.75 H new ATOM 0 HB2 PHE A 66 5.215 -0.969 -7.390 1.00 0.83 H new ATOM 0 HB3 PHE A 66 6.203 -2.106 -6.494 1.00 0.83 H new ATOM 0 HD1 PHE A 66 6.634 0.524 -9.158 1.00 2.39 H new ATOM 0 HD2 PHE A 66 8.301 -1.401 -5.690 1.00 1.85 H new ATOM 0 HE1 PHE A 66 8.432 2.235 -9.075 1.00 2.63 H new ATOM 0 HE2 PHE A 66 10.146 0.262 -5.653 1.00 2.15 H new ATOM 0 HZ PHE A 66 10.179 2.118 -7.308 1.00 1.77 H new ATOM 1035 N GLY A 67 6.790 -4.581 -7.628 1.00 0.58 N ATOM 1036 CA GLY A 67 6.615 -5.956 -7.199 1.00 0.58 C ATOM 1037 C GLY A 67 5.948 -5.966 -5.831 1.00 0.55 C ATOM 1038 O GLY A 67 6.573 -6.312 -4.830 1.00 0.62 O ATOM 0 H GLY A 67 7.725 -4.213 -7.451 1.00 0.58 H new ATOM 0 HA2 GLY A 67 6.005 -6.501 -7.920 1.00 0.58 H new ATOM 0 HA3 GLY A 67 7.580 -6.461 -7.152 1.00 0.58 H new ATOM 1042 N ALA A 68 4.676 -5.564 -5.807 1.00 0.50 N ATOM 1043 CA ALA A 68 3.856 -5.577 -4.607 1.00 0.45 C ATOM 1044 C ALA A 68 3.302 -6.983 -4.396 1.00 0.47 C ATOM 1045 O ALA A 68 3.082 -7.717 -5.358 1.00 0.55 O ATOM 1046 CB ALA A 68 2.716 -4.563 -4.748 1.00 0.52 C ATOM 0 H ALA A 68 4.186 -5.218 -6.632 1.00 0.50 H new ATOM 0 HA ALA A 68 4.458 -5.299 -3.742 1.00 0.45 H new ATOM 0 HB1 ALA A 68 2.104 -4.576 -3.846 1.00 0.52 H new ATOM 0 HB2 ALA A 68 3.132 -3.565 -4.890 1.00 0.52 H new ATOM 0 HB3 ALA A 68 2.100 -4.825 -5.608 1.00 0.52 H new ATOM 1052 N THR A 69 3.065 -7.354 -3.139 1.00 0.49 N ATOM 1053 CA THR A 69 2.474 -8.624 -2.770 1.00 0.55 C ATOM 1054 C THR A 69 1.654 -8.346 -1.521 1.00 0.59 C ATOM 1055 O THR A 69 2.166 -7.779 -0.558 1.00 0.64 O ATOM 1056 CB THR A 69 3.521 -9.740 -2.659 1.00 0.64 C ATOM 1057 OG1 THR A 69 2.900 -10.998 -2.487 1.00 1.38 O ATOM 1058 CG2 THR A 69 4.491 -9.497 -1.519 1.00 1.17 C ATOM 0 H THR A 69 3.286 -6.763 -2.338 1.00 0.49 H new ATOM 0 HA THR A 69 1.812 -9.023 -3.538 1.00 0.55 H new ATOM 0 HB THR A 69 4.083 -9.737 -3.593 1.00 0.64 H new ATOM 0 HG1 THR A 69 3.586 -11.695 -2.420 1.00 1.38 H new ATOM 0 HG21 THR A 69 5.215 -10.311 -1.477 1.00 1.17 H new ATOM 0 HG22 THR A 69 5.014 -8.555 -1.681 1.00 1.17 H new ATOM 0 HG23 THR A 69 3.942 -9.450 -0.578 1.00 1.17 H new ATOM 1066 N VAL A 70 0.360 -8.644 -1.589 1.00 0.74 N ATOM 1067 CA VAL A 70 -0.609 -8.316 -0.566 1.00 0.76 C ATOM 1068 C VAL A 70 -0.914 -9.587 0.218 1.00 0.91 C ATOM 1069 O VAL A 70 -1.315 -10.590 -0.370 1.00 0.90 O ATOM 1070 CB VAL A 70 -1.810 -7.631 -1.233 1.00 0.79 C ATOM 1071 CG1 VAL A 70 -2.486 -8.429 -2.356 1.00 0.86 C ATOM 1072 CG2 VAL A 70 -2.868 -7.289 -0.183 1.00 0.97 C ATOM 0 H VAL A 70 -0.049 -9.135 -2.384 1.00 0.74 H new ATOM 0 HA VAL A 70 -0.243 -7.597 0.168 1.00 0.76 H new ATOM 0 HB VAL A 70 -1.390 -6.740 -1.700 1.00 0.79 H new ATOM 0 HG11 VAL A 70 -3.321 -7.855 -2.758 1.00 0.86 H new ATOM 0 HG12 VAL A 70 -1.764 -8.624 -3.149 1.00 0.86 H new ATOM 0 HG13 VAL A 70 -2.854 -9.375 -1.959 1.00 0.86 H new ATOM 0 HG21 VAL A 70 -3.716 -6.803 -0.666 1.00 0.97 H new ATOM 0 HG22 VAL A 70 -3.204 -8.203 0.306 1.00 0.97 H new ATOM 0 HG23 VAL A 70 -2.439 -6.616 0.560 1.00 0.97 H new ATOM 1082 N ILE A 71 -0.634 -9.571 1.523 1.00 1.15 N ATOM 1083 CA ILE A 71 -0.697 -10.733 2.391 1.00 1.49 C ATOM 1084 C ILE A 71 -1.399 -10.349 3.697 1.00 1.77 C ATOM 1085 O ILE A 71 -1.650 -9.169 3.955 1.00 1.50 O ATOM 1086 CB ILE A 71 0.714 -11.327 2.599 1.00 1.65 C ATOM 1087 CG1 ILE A 71 1.641 -10.451 3.464 1.00 1.66 C ATOM 1088 CG2 ILE A 71 1.407 -11.596 1.254 1.00 2.23 C ATOM 1089 CD1 ILE A 71 2.076 -11.184 4.732 1.00 1.76 C ATOM 0 H ILE A 71 -0.350 -8.722 2.012 1.00 1.15 H new ATOM 0 HA ILE A 71 -1.288 -11.524 1.929 1.00 1.49 H new ATOM 0 HB ILE A 71 0.547 -12.260 3.137 1.00 1.65 H new ATOM 0 HG12 ILE A 71 2.520 -10.168 2.886 1.00 1.66 H new ATOM 0 HG13 ILE A 71 1.126 -9.529 3.733 1.00 1.66 H new ATOM 0 HG21 ILE A 71 2.398 -12.014 1.432 1.00 2.23 H new ATOM 0 HG22 ILE A 71 0.814 -12.303 0.674 1.00 2.23 H new ATOM 0 HG23 ILE A 71 1.501 -10.662 0.700 1.00 2.23 H new ATOM 0 HD11 ILE A 71 2.729 -10.539 5.320 1.00 1.76 H new ATOM 0 HD12 ILE A 71 1.197 -11.444 5.322 1.00 1.76 H new ATOM 0 HD13 ILE A 71 2.613 -12.093 4.461 1.00 1.76 H new ATOM 1101 N GLU A 72 -1.757 -11.357 4.500 1.00 2.39 N ATOM 1102 CA GLU A 72 -2.654 -11.190 5.638 1.00 2.52 C ATOM 1103 C GLU A 72 -3.982 -10.547 5.205 1.00 1.38 C ATOM 1104 O GLU A 72 -4.226 -10.317 4.021 1.00 2.61 O ATOM 1105 CB GLU A 72 -1.949 -10.427 6.776 1.00 4.58 C ATOM 1106 CG GLU A 72 -1.292 -11.381 7.776 1.00 6.14 C ATOM 1107 CD GLU A 72 -0.644 -10.592 8.906 1.00 8.39 C ATOM 1108 OE1 GLU A 72 0.433 -10.015 8.645 1.00 9.70 O ATOM 1109 OE2 GLU A 72 -1.257 -10.559 9.994 1.00 9.03 O ATOM 0 H GLU A 72 -1.428 -12.314 4.374 1.00 2.39 H new ATOM 0 HA GLU A 72 -2.911 -12.172 6.035 1.00 2.52 H new ATOM 0 HB2 GLU A 72 -1.193 -9.764 6.356 1.00 4.58 H new ATOM 0 HB3 GLU A 72 -2.672 -9.798 7.295 1.00 4.58 H new ATOM 0 HG2 GLU A 72 -2.038 -12.065 8.181 1.00 6.14 H new ATOM 0 HG3 GLU A 72 -0.542 -11.990 7.271 1.00 6.14 H new ATOM 1116 N ASN A 73 -4.880 -10.343 6.170 1.00 1.52 N ATOM 1117 CA ASN A 73 -6.191 -9.714 6.027 1.00 3.17 C ATOM 1118 C ASN A 73 -6.954 -9.938 7.327 1.00 2.86 C ATOM 1119 O ASN A 73 -7.627 -10.951 7.484 1.00 3.14 O ATOM 1120 CB ASN A 73 -7.014 -10.179 4.803 1.00 4.96 C ATOM 1121 CG ASN A 73 -7.125 -11.691 4.590 1.00 5.86 C ATOM 1122 OD1 ASN A 73 -8.111 -12.319 4.959 1.00 7.06 O ATOM 1123 ND2 ASN A 73 -6.146 -12.283 3.913 1.00 5.99 N ATOM 0 H ASN A 73 -4.698 -10.631 7.131 1.00 1.52 H new ATOM 0 HA ASN A 73 -6.027 -8.654 5.834 1.00 3.17 H new ATOM 0 HB2 ASN A 73 -8.021 -9.772 4.894 1.00 4.96 H new ATOM 0 HB3 ASN A 73 -6.573 -9.740 3.908 1.00 4.96 H new ATOM 0 HD21 ASN A 73 -6.207 -13.277 3.692 1.00 5.99 H new ATOM 0 HD22 ASN A 73 -5.334 -11.743 3.615 1.00 5.99 H new ATOM 1130 N ILE A 74 -6.837 -8.999 8.270 1.00 3.11 N ATOM 1131 CA ILE A 74 -7.574 -9.040 9.525 1.00 3.21 C ATOM 1132 C ILE A 74 -8.104 -7.644 9.857 1.00 3.43 C ATOM 1133 O ILE A 74 -7.601 -6.627 9.364 1.00 3.97 O ATOM 1134 CB ILE A 74 -6.714 -9.622 10.667 1.00 3.54 C ATOM 1135 CG1 ILE A 74 -5.315 -8.983 10.726 1.00 4.49 C ATOM 1136 CG2 ILE A 74 -6.604 -11.149 10.544 1.00 3.62 C ATOM 1137 CD1 ILE A 74 -4.690 -9.111 12.118 1.00 5.19 C ATOM 0 H ILE A 74 -6.225 -8.188 8.179 1.00 3.11 H new ATOM 0 HA ILE A 74 -8.426 -9.710 9.412 1.00 3.21 H new ATOM 0 HB ILE A 74 -7.220 -9.380 11.602 1.00 3.54 H new ATOM 0 HG12 ILE A 74 -4.666 -9.460 9.991 1.00 4.49 H new ATOM 0 HG13 ILE A 74 -5.385 -7.930 10.454 1.00 4.49 H new ATOM 0 HG21 ILE A 74 -5.993 -11.537 11.359 1.00 3.62 H new ATOM 0 HG22 ILE A 74 -7.599 -11.591 10.594 1.00 3.62 H new ATOM 0 HG23 ILE A 74 -6.141 -11.405 9.591 1.00 3.62 H new ATOM 0 HD11 ILE A 74 -3.703 -8.648 12.118 1.00 5.19 H new ATOM 0 HD12 ILE A 74 -5.325 -8.611 12.849 1.00 5.19 H new ATOM 0 HD13 ILE A 74 -4.596 -10.165 12.379 1.00 5.19 H new ATOM 1149 N GLU A 75 -9.149 -7.607 10.684 1.00 3.40 N ATOM 1150 CA GLU A 75 -9.661 -6.380 11.259 1.00 3.87 C ATOM 1151 C GLU A 75 -8.710 -5.890 12.352 1.00 4.58 C ATOM 1152 O GLU A 75 -7.847 -6.629 12.822 1.00 5.17 O ATOM 1153 CB GLU A 75 -11.069 -6.619 11.818 1.00 4.14 C ATOM 1154 CG GLU A 75 -12.039 -7.063 10.718 1.00 4.06 C ATOM 1155 CD GLU A 75 -13.480 -6.907 11.184 1.00 5.15 C ATOM 1156 OE1 GLU A 75 -13.922 -7.789 11.950 1.00 5.50 O ATOM 1157 OE2 GLU A 75 -14.086 -5.883 10.794 1.00 6.18 O ATOM 0 H GLU A 75 -9.663 -8.440 10.971 1.00 3.40 H new ATOM 0 HA GLU A 75 -9.725 -5.610 10.490 1.00 3.87 H new ATOM 0 HB2 GLU A 75 -11.028 -7.379 12.598 1.00 4.14 H new ATOM 0 HB3 GLU A 75 -11.438 -5.705 12.283 1.00 4.14 H new ATOM 0 HG2 GLU A 75 -11.875 -6.469 9.819 1.00 4.06 H new ATOM 0 HG3 GLU A 75 -11.847 -8.103 10.453 1.00 4.06 H new ATOM 1164 N GLY A 76 -8.885 -4.633 12.770 1.00 5.09 N ATOM 1165 CA GLY A 76 -8.170 -4.094 13.918 1.00 6.08 C ATOM 1166 C GLY A 76 -8.587 -4.816 15.199 1.00 6.62 C ATOM 1167 O GLY A 76 -7.738 -5.167 16.015 1.00 7.70 O ATOM 0 H GLY A 76 -9.520 -3.971 12.324 1.00 5.09 H new ATOM 0 HA2 GLY A 76 -7.096 -4.201 13.767 1.00 6.08 H new ATOM 0 HA3 GLY A 76 -8.374 -3.027 14.012 1.00 6.08 H new ATOM 1171 N ARG A 77 -9.899 -5.032 15.339 1.00 6.36 N ATOM 1172 CA ARG A 77 -10.545 -5.449 16.573 1.00 7.37 C ATOM 1173 C ARG A 77 -10.430 -4.327 17.613 1.00 8.88 C ATOM 1174 O ARG A 77 -10.509 -4.644 18.820 1.00 9.83 O ATOM 1175 CB ARG A 77 -9.995 -6.800 17.066 1.00 7.46 C ATOM 1176 CG ARG A 77 -11.077 -7.554 17.850 1.00 7.91 C ATOM 1177 CD ARG A 77 -10.489 -8.670 18.730 1.00 8.53 C ATOM 1178 NE ARG A 77 -10.973 -8.553 20.116 1.00 9.79 N ATOM 1179 CZ ARG A 77 -12.222 -8.825 20.525 1.00 10.44 C ATOM 1180 NH1 ARG A 77 -13.109 -9.330 19.660 1.00 10.07 N ATOM 1181 NH2 ARG A 77 -12.579 -8.585 21.792 1.00 11.77 N ATOM 1182 OXT ARG A 77 -10.289 -3.162 17.173 1.00 9.51 O ATOM 0 H ARG A 77 -10.556 -4.916 14.567 1.00 6.36 H new ATOM 0 HA ARG A 77 -11.606 -5.619 16.392 1.00 7.37 H new ATOM 0 HB2 ARG A 77 -9.666 -7.399 16.217 1.00 7.46 H new ATOM 0 HB3 ARG A 77 -9.123 -6.637 17.699 1.00 7.46 H new ATOM 0 HG2 ARG A 77 -11.625 -6.851 18.477 1.00 7.91 H new ATOM 0 HG3 ARG A 77 -11.795 -7.985 17.152 1.00 7.91 H new ATOM 0 HD2 ARG A 77 -10.766 -9.643 18.324 1.00 8.53 H new ATOM 0 HD3 ARG A 77 -9.400 -8.616 18.714 1.00 8.53 H new ATOM 0 HE ARG A 77 -10.306 -8.240 20.821 1.00 9.79 H new ATOM 0 HH11 ARG A 77 -12.835 -9.507 18.694 1.00 10.07 H new ATOM 0 HH12 ARG A 77 -14.059 -9.538 19.967 1.00 10.07 H new ATOM 0 HH21 ARG A 77 -11.902 -8.195 22.448 1.00 11.77 H new ATOM 0 HH22 ARG A 77 -13.528 -8.792 22.102 1.00 11.77 H new TER 1196 ARG A 77