USER MOD reduce.3.24.130724 H: found=0, std=0, add=584, rem=0, adj=12 USER MOD reduce.3.24.130724 removed 584 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 55 TYR OH : rot 38:sc= 0.704 USER MOD Set 1.2: A 66 LYS NZ :NH3+ -178:sc= 2.23 (180deg=1.26) USER MOD Single : A 1 GLY N :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 4 SER OG : rot 180:sc= 0 USER MOD Single : A 5 MET CE :methyl -164:sc= -1.17 (180deg=-2.06) USER MOD Single : A 6 SER OG : rot 180:sc= 0 USER MOD Single : A 8 ASN : amide:sc= 0.598 K(o=0.6,f=-13!) USER MOD Single : A 14 ASN : amide:sc= -0.323 X(o=-0.32,f=-0.13) USER MOD Single : A 16 SER OG : rot 59:sc= 0.905 USER MOD Single : A 22 ASN : amide:sc= -1.44! C(o=-1.4!,f=-14!) USER MOD Single : A 26 GLN : amide:sc= -0.0862 X(o=-0.086,f=-0.15) USER MOD Single : A 27 HIS : no HD1:sc= -0.75 X(o=-0.75,f=-1.1) USER MOD Single : A 28 SER OG : rot 180:sc= -0.0502 USER MOD Single : A 44 HIS : no HD1:sc= -0.334 X(o=-0.33,f=-0.0079) USER MOD Single : A 52 CYS SG : rot 62:sc= 0.617 USER MOD Single : A 59 HIS : no HE2:sc= -1.25 K(o=-1.2,f=-3.2!) USER MOD Single : A 67 SER OG : rot -126:sc= 0.898 USER MOD Single : A 71 LYS NZ :NH3+ 133:sc= -0.835 (180deg=-1.49) USER MOD Single : A 74 THR OG1 : rot 180:sc= 0.00107 USER MOD Single : A 80 GLN : amide:sc= 0 X(o=0,f=0) USER MOD ----------------------------------------------------------------- ATOM 1 N GLY A 1 -12.900 27.957 -15.733 1.00 64.54 N ATOM 2 CA GLY A 1 -13.759 29.009 -16.326 1.00 63.31 C ATOM 3 C GLY A 1 -14.471 28.529 -17.578 1.00 45.41 C ATOM 4 O GLY A 1 -15.472 27.812 -17.481 1.00 52.30 O ATOM 0 H1 GLY A 1 -12.434 28.329 -14.881 1.00 64.54 H new ATOM 0 H2 GLY A 1 -13.484 27.135 -15.477 1.00 64.54 H new ATOM 0 H3 GLY A 1 -12.179 27.668 -16.424 1.00 64.54 H new ATOM 0 HA2 GLY A 1 -14.497 29.330 -15.591 1.00 63.31 H new ATOM 0 HA3 GLY A 1 -13.150 29.880 -16.568 1.00 63.31 H new ATOM 10 N PRO A 2 -13.964 28.891 -18.777 1.00 71.21 N ATOM 11 CA PRO A 2 -14.589 28.506 -20.049 1.00 1.44 C ATOM 12 C PRO A 2 -14.496 26.998 -20.303 1.00 72.44 C ATOM 13 O PRO A 2 -13.471 26.371 -20.018 1.00 54.42 O ATOM 14 CB PRO A 2 -13.782 29.289 -21.099 1.00 51.43 C ATOM 15 CG PRO A 2 -12.458 29.527 -20.456 1.00 23.45 C ATOM 16 CD PRO A 2 -12.740 29.696 -18.985 1.00 11.23 C ATOM 0 HA PRO A 2 -15.655 28.731 -20.068 1.00 1.44 H new ATOM 0 HB2 PRO A 2 -13.677 28.721 -22.023 1.00 51.43 H new ATOM 0 HB3 PRO A 2 -14.272 30.228 -21.356 1.00 51.43 H new ATOM 0 HG2 PRO A 2 -11.782 28.690 -20.631 1.00 23.45 H new ATOM 0 HG3 PRO A 2 -11.978 30.415 -20.867 1.00 23.45 H new ATOM 0 HD2 PRO A 2 -11.913 29.336 -18.373 1.00 11.23 H new ATOM 0 HD3 PRO A 2 -12.898 30.742 -18.723 1.00 11.23 H new ATOM 24 N GLY A 3 -15.575 26.423 -20.826 1.00 40.44 N ATOM 25 CA GLY A 3 -15.607 25.004 -21.142 1.00 52.53 C ATOM 26 C GLY A 3 -16.130 24.759 -22.541 1.00 44.43 C ATOM 27 O GLY A 3 -17.007 23.918 -22.751 1.00 41.21 O ATOM 0 H GLY A 3 -16.439 26.922 -21.039 1.00 40.44 H new ATOM 0 HA2 GLY A 3 -14.604 24.587 -21.049 1.00 52.53 H new ATOM 0 HA3 GLY A 3 -16.237 24.484 -20.421 1.00 52.53 H new ATOM 31 N SER A 4 -15.596 25.511 -23.493 1.00 41.10 N ATOM 32 CA SER A 4 -16.026 25.435 -24.884 1.00 64.44 C ATOM 33 C SER A 4 -15.541 24.145 -25.557 1.00 54.20 C ATOM 34 O SER A 4 -14.843 23.331 -24.941 1.00 10.33 O ATOM 35 CB SER A 4 -15.502 26.659 -25.643 1.00 64.41 C ATOM 36 OG SER A 4 -15.908 27.859 -25.006 1.00 10.53 O ATOM 0 H SER A 4 -14.854 26.190 -23.324 1.00 41.10 H new ATOM 0 HA SER A 4 -17.116 25.424 -24.907 1.00 64.44 H new ATOM 0 HB2 SER A 4 -14.414 26.621 -25.697 1.00 64.41 H new ATOM 0 HB3 SER A 4 -15.872 26.643 -26.668 1.00 64.41 H new ATOM 0 HG SER A 4 -15.562 28.628 -25.505 1.00 10.53 H new ATOM 42 N MET A 5 -15.930 23.975 -26.820 1.00 31.34 N ATOM 43 CA MET A 5 -15.539 22.814 -27.624 1.00 4.33 C ATOM 44 C MET A 5 -14.022 22.632 -27.647 1.00 34.52 C ATOM 45 O MET A 5 -13.513 21.522 -27.467 1.00 40.22 O ATOM 46 CB MET A 5 -16.071 22.969 -29.057 1.00 72.43 C ATOM 47 CG MET A 5 -17.588 22.859 -29.170 1.00 13.45 C ATOM 48 SD MET A 5 -18.182 21.183 -28.867 1.00 24.43 S ATOM 49 CE MET A 5 -17.332 20.299 -30.174 1.00 72.00 C ATOM 0 H MET A 5 -16.526 24.638 -27.316 1.00 31.34 H new ATOM 0 HA MET A 5 -15.975 21.926 -27.166 1.00 4.33 H new ATOM 0 HB2 MET A 5 -15.757 23.937 -29.448 1.00 72.43 H new ATOM 0 HB3 MET A 5 -15.614 22.207 -29.688 1.00 72.43 H new ATOM 0 HG2 MET A 5 -18.053 23.540 -28.457 1.00 13.45 H new ATOM 0 HG3 MET A 5 -17.899 23.177 -30.165 1.00 13.45 H new ATOM 0 HE1 MET A 5 -17.795 19.322 -30.313 1.00 72.00 H new ATOM 0 HE2 MET A 5 -17.400 20.868 -31.101 1.00 72.00 H new ATOM 0 HE3 MET A 5 -16.284 20.169 -29.904 1.00 72.00 H new ATOM 59 N SER A 6 -13.305 23.723 -27.884 1.00 74.20 N ATOM 60 CA SER A 6 -11.848 23.706 -27.896 1.00 0.11 C ATOM 61 C SER A 6 -11.291 24.951 -27.203 1.00 25.10 C ATOM 62 O SER A 6 -11.510 26.076 -27.657 1.00 15.20 O ATOM 63 CB SER A 6 -11.341 23.617 -29.343 1.00 43.50 C ATOM 64 OG SER A 6 -11.869 22.470 -29.997 1.00 53.04 O ATOM 0 H SER A 6 -13.713 24.639 -28.072 1.00 74.20 H new ATOM 0 HA SER A 6 -11.499 22.831 -27.348 1.00 0.11 H new ATOM 0 HB2 SER A 6 -11.628 24.516 -29.889 1.00 43.50 H new ATOM 0 HB3 SER A 6 -10.252 23.575 -29.349 1.00 43.50 H new ATOM 0 HG SER A 6 -11.534 22.435 -30.917 1.00 53.04 H new ATOM 70 N ILE A 7 -10.590 24.746 -26.091 1.00 31.23 N ATOM 71 CA ILE A 7 -9.989 25.846 -25.338 1.00 15.14 C ATOM 72 C ILE A 7 -8.530 26.045 -25.755 1.00 55.21 C ATOM 73 O ILE A 7 -8.204 26.978 -26.492 1.00 65.33 O ATOM 74 CB ILE A 7 -10.063 25.589 -23.806 1.00 4.15 C ATOM 75 CG1 ILE A 7 -11.524 25.420 -23.351 1.00 23.20 C ATOM 76 CG2 ILE A 7 -9.386 26.721 -23.032 1.00 34.01 C ATOM 77 CD1 ILE A 7 -12.396 26.629 -23.621 1.00 34.15 C ATOM 0 H ILE A 7 -10.423 23.824 -25.689 1.00 31.23 H new ATOM 0 HA ILE A 7 -10.556 26.749 -25.565 1.00 15.14 H new ATOM 0 HB ILE A 7 -9.529 24.663 -23.593 1.00 4.15 H new ATOM 0 HG12 ILE A 7 -11.953 24.555 -23.856 1.00 23.20 H new ATOM 0 HG13 ILE A 7 -11.539 25.205 -22.282 1.00 23.20 H new ATOM 0 HG21 ILE A 7 -9.450 26.520 -21.963 1.00 34.01 H new ATOM 0 HG22 ILE A 7 -8.339 26.788 -23.327 1.00 34.01 H new ATOM 0 HG23 ILE A 7 -9.886 27.664 -23.254 1.00 34.01 H new ATOM 0 HD11 ILE A 7 -13.410 26.432 -23.272 1.00 34.15 H new ATOM 0 HD12 ILE A 7 -11.993 27.494 -23.094 1.00 34.15 H new ATOM 0 HD13 ILE A 7 -12.414 26.833 -24.692 1.00 34.15 H new ATOM 89 N ASN A 8 -7.668 25.145 -25.297 1.00 54.12 N ATOM 90 CA ASN A 8 -6.236 25.217 -25.579 1.00 25.44 C ATOM 91 C ASN A 8 -5.892 24.354 -26.795 1.00 50.11 C ATOM 92 O ASN A 8 -6.451 23.265 -26.955 1.00 64.43 O ATOM 93 CB ASN A 8 -5.441 24.753 -24.345 1.00 20.10 C ATOM 94 CG ASN A 8 -3.959 24.560 -24.621 1.00 43.15 C ATOM 95 OD1 ASN A 8 -3.528 23.473 -25.005 1.00 32.04 O ATOM 96 ND2 ASN A 8 -3.172 25.602 -24.414 1.00 53.11 N ATOM 0 H ASN A 8 -7.939 24.347 -24.722 1.00 54.12 H new ATOM 0 HA ASN A 8 -5.967 26.249 -25.805 1.00 25.44 H new ATOM 0 HB2 ASN A 8 -5.562 25.486 -23.547 1.00 20.10 H new ATOM 0 HB3 ASN A 8 -5.861 23.815 -23.983 1.00 20.10 H new ATOM 0 HD21 ASN A 8 -2.168 25.522 -24.573 1.00 53.11 H new ATOM 0 HD22 ASN A 8 -3.569 26.486 -24.096 1.00 53.11 H new ATOM 103 N PRO A 9 -4.988 24.837 -27.677 1.00 24.42 N ATOM 104 CA PRO A 9 -4.522 24.066 -28.838 1.00 34.30 C ATOM 105 C PRO A 9 -4.013 22.683 -28.424 1.00 64.14 C ATOM 106 O PRO A 9 -3.089 22.568 -27.612 1.00 71.44 O ATOM 107 CB PRO A 9 -3.383 24.929 -29.424 1.00 41.24 C ATOM 108 CG PRO A 9 -3.069 25.942 -28.371 1.00 53.41 C ATOM 109 CD PRO A 9 -4.352 26.161 -27.618 1.00 62.43 C ATOM 0 HA PRO A 9 -5.318 23.876 -29.558 1.00 34.30 H new ATOM 0 HB2 PRO A 9 -2.509 24.320 -29.656 1.00 41.24 H new ATOM 0 HB3 PRO A 9 -3.692 25.410 -30.352 1.00 41.24 H new ATOM 0 HG2 PRO A 9 -2.282 25.585 -27.707 1.00 53.41 H new ATOM 0 HG3 PRO A 9 -2.713 26.871 -28.816 1.00 53.41 H new ATOM 0 HD2 PRO A 9 -4.170 26.478 -26.591 1.00 62.43 H new ATOM 0 HD3 PRO A 9 -4.970 26.929 -28.084 1.00 62.43 H new ATOM 117 N PHE A 10 -4.629 21.643 -28.982 1.00 40.41 N ATOM 118 CA PHE A 10 -4.335 20.267 -28.595 1.00 31.52 C ATOM 119 C PHE A 10 -2.844 19.951 -28.720 1.00 72.32 C ATOM 120 O PHE A 10 -2.136 20.514 -29.564 1.00 51.11 O ATOM 121 CB PHE A 10 -5.160 19.280 -29.438 1.00 3.43 C ATOM 122 CG PHE A 10 -4.786 19.246 -30.904 1.00 33.53 C ATOM 123 CD1 PHE A 10 -5.255 20.215 -31.781 1.00 15.31 C ATOM 124 CD2 PHE A 10 -3.968 18.239 -31.404 1.00 51.51 C ATOM 125 CE1 PHE A 10 -4.912 20.182 -33.120 1.00 50.24 C ATOM 126 CE2 PHE A 10 -3.624 18.204 -32.741 1.00 54.40 C ATOM 127 CZ PHE A 10 -4.098 19.175 -33.600 1.00 35.42 C ATOM 0 H PHE A 10 -5.340 21.730 -29.709 1.00 40.41 H new ATOM 0 HA PHE A 10 -4.613 20.156 -27.547 1.00 31.52 H new ATOM 0 HB2 PHE A 10 -5.043 18.279 -29.022 1.00 3.43 H new ATOM 0 HB3 PHE A 10 -6.215 19.540 -29.351 1.00 3.43 H new ATOM 0 HD1 PHE A 10 -5.895 21.003 -31.413 1.00 15.31 H new ATOM 0 HD2 PHE A 10 -3.597 17.474 -30.738 1.00 51.51 H new ATOM 0 HE1 PHE A 10 -5.281 20.944 -33.791 1.00 50.24 H new ATOM 0 HE2 PHE A 10 -2.985 17.418 -33.114 1.00 54.40 H new ATOM 0 HZ PHE A 10 -3.833 19.147 -34.646 1.00 35.42 H new ATOM 137 N ASP A 11 -2.384 19.046 -27.869 1.00 1.54 N ATOM 138 CA ASP A 11 -0.986 18.633 -27.828 1.00 3.31 C ATOM 139 C ASP A 11 -0.930 17.152 -27.452 1.00 75.40 C ATOM 140 O ASP A 11 -1.977 16.545 -27.215 1.00 13.31 O ATOM 141 CB ASP A 11 -0.217 19.497 -26.810 1.00 60.33 C ATOM 142 CG ASP A 11 1.296 19.347 -26.903 1.00 70.42 C ATOM 143 OD1 ASP A 11 1.906 19.969 -27.800 1.00 63.02 O ATOM 144 OD2 ASP A 11 1.878 18.607 -26.086 1.00 15.20 O ATOM 0 H ASP A 11 -2.972 18.574 -27.183 1.00 1.54 H new ATOM 0 HA ASP A 11 -0.517 18.771 -28.802 1.00 3.31 H new ATOM 0 HB2 ASP A 11 -0.480 20.544 -26.962 1.00 60.33 H new ATOM 0 HB3 ASP A 11 -0.539 19.231 -25.803 1.00 60.33 H new ATOM 149 N ASP A 12 0.269 16.573 -27.396 1.00 41.24 N ATOM 150 CA ASP A 12 0.432 15.143 -27.100 1.00 42.44 C ATOM 151 C ASP A 12 -0.268 14.299 -28.167 1.00 73.54 C ATOM 152 O ASP A 12 -0.751 13.202 -27.886 1.00 63.12 O ATOM 153 CB ASP A 12 -0.124 14.791 -25.704 1.00 5.22 C ATOM 154 CG ASP A 12 0.541 15.560 -24.569 1.00 31.25 C ATOM 155 OD1 ASP A 12 1.769 15.411 -24.376 1.00 14.35 O ATOM 156 OD2 ASP A 12 -0.170 16.302 -23.848 1.00 43.52 O ATOM 0 H ASP A 12 1.146 17.070 -27.552 1.00 41.24 H new ATOM 0 HA ASP A 12 1.499 14.921 -27.107 1.00 42.44 H new ATOM 0 HB2 ASP A 12 -1.195 14.991 -25.688 1.00 5.22 H new ATOM 0 HB3 ASP A 12 0.003 13.722 -25.531 1.00 5.22 H new ATOM 161 N ASP A 13 -0.293 14.816 -29.396 1.00 11.11 N ATOM 162 CA ASP A 13 -0.960 14.154 -30.529 1.00 23.12 C ATOM 163 C ASP A 13 -0.482 12.708 -30.705 1.00 30.54 C ATOM 164 O ASP A 13 -1.281 11.799 -30.925 1.00 12.41 O ATOM 165 CB ASP A 13 -0.703 14.947 -31.821 1.00 74.53 C ATOM 166 CG ASP A 13 -1.274 14.273 -33.066 1.00 12.31 C ATOM 167 OD1 ASP A 13 -2.456 14.513 -33.393 1.00 73.14 O ATOM 168 OD2 ASP A 13 -0.531 13.514 -33.733 1.00 60.13 O ATOM 0 H ASP A 13 0.146 15.704 -29.639 1.00 11.11 H new ATOM 0 HA ASP A 13 -2.029 14.128 -30.316 1.00 23.12 H new ATOM 0 HB2 ASP A 13 -1.139 15.941 -31.722 1.00 74.53 H new ATOM 0 HB3 ASP A 13 0.371 15.081 -31.949 1.00 74.53 H new ATOM 173 N ASN A 14 0.827 12.511 -30.602 1.00 10.01 N ATOM 174 CA ASN A 14 1.439 11.187 -30.766 1.00 44.32 C ATOM 175 C ASN A 14 1.665 10.526 -29.406 1.00 62.12 C ATOM 176 O ASN A 14 2.393 9.537 -29.295 1.00 31.00 O ATOM 177 CB ASN A 14 2.767 11.308 -31.533 1.00 31.51 C ATOM 178 CG ASN A 14 3.708 12.328 -30.915 1.00 23.43 C ATOM 179 OD1 ASN A 14 4.519 12.005 -30.050 1.00 1.41 O ATOM 180 ND2 ASN A 14 3.606 13.572 -31.360 1.00 73.33 N ATOM 0 H ASN A 14 1.495 13.256 -30.404 1.00 10.01 H new ATOM 0 HA ASN A 14 0.759 10.559 -31.342 1.00 44.32 H new ATOM 0 HB2 ASN A 14 3.258 10.335 -31.558 1.00 31.51 H new ATOM 0 HB3 ASN A 14 2.561 11.588 -32.566 1.00 31.51 H new ATOM 0 HD21 ASN A 14 4.213 14.300 -30.983 1.00 73.33 H new ATOM 0 HD22 ASN A 14 2.920 13.802 -32.079 1.00 73.33 H new ATOM 187 N GLY A 15 1.018 11.070 -28.379 1.00 55.21 N ATOM 188 CA GLY A 15 1.161 10.549 -27.034 1.00 55.10 C ATOM 189 C GLY A 15 0.195 9.414 -26.766 1.00 5.11 C ATOM 190 O GLY A 15 -1.024 9.605 -26.805 1.00 2.02 O ATOM 0 H GLY A 15 0.391 11.871 -28.458 1.00 55.21 H new ATOM 0 HA2 GLY A 15 2.183 10.199 -26.886 1.00 55.10 H new ATOM 0 HA3 GLY A 15 0.991 11.349 -26.314 1.00 55.10 H new ATOM 194 N SER A 16 0.736 8.227 -26.524 1.00 4.14 N ATOM 195 CA SER A 16 -0.073 7.060 -26.209 1.00 63.44 C ATOM 196 C SER A 16 -0.396 7.022 -24.719 1.00 71.32 C ATOM 197 O SER A 16 0.010 7.918 -23.976 1.00 2.12 O ATOM 198 CB SER A 16 0.663 5.786 -26.649 1.00 1.03 C ATOM 199 OG SER A 16 2.041 5.842 -26.314 1.00 70.32 O ATOM 0 H SER A 16 1.740 8.048 -26.541 1.00 4.14 H new ATOM 0 HA SER A 16 -1.016 7.120 -26.752 1.00 63.44 H new ATOM 0 HB2 SER A 16 0.206 4.918 -26.174 1.00 1.03 H new ATOM 0 HB3 SER A 16 0.554 5.654 -27.725 1.00 1.03 H new ATOM 0 HG SER A 16 2.138 5.955 -25.345 1.00 70.32 H new ATOM 205 N PHE A 17 -1.149 6.011 -24.271 1.00 33.31 N ATOM 206 CA PHE A 17 -1.375 5.858 -22.843 1.00 3.42 C ATOM 207 C PHE A 17 -0.073 5.474 -22.148 1.00 71.15 C ATOM 208 O PHE A 17 0.377 4.328 -22.218 1.00 4.05 O ATOM 209 CB PHE A 17 -2.458 4.797 -22.563 1.00 25.25 C ATOM 210 CG PHE A 17 -2.870 4.691 -21.112 1.00 23.11 C ATOM 211 CD1 PHE A 17 -3.820 5.554 -20.581 1.00 74.21 C ATOM 212 CD2 PHE A 17 -2.323 3.724 -20.282 1.00 3.25 C ATOM 213 CE1 PHE A 17 -4.210 5.459 -19.258 1.00 70.22 C ATOM 214 CE2 PHE A 17 -2.710 3.624 -18.959 1.00 25.21 C ATOM 215 CZ PHE A 17 -3.656 4.490 -18.447 1.00 45.40 C ATOM 0 H PHE A 17 -1.597 5.310 -24.861 1.00 33.31 H new ATOM 0 HA PHE A 17 -1.726 6.812 -22.449 1.00 3.42 H new ATOM 0 HB2 PHE A 17 -3.339 5.028 -23.162 1.00 25.25 H new ATOM 0 HB3 PHE A 17 -2.092 3.826 -22.896 1.00 25.25 H new ATOM 0 HD1 PHE A 17 -4.261 6.312 -21.212 1.00 74.21 H new ATOM 0 HD2 PHE A 17 -1.585 3.040 -20.675 1.00 3.25 H new ATOM 0 HE1 PHE A 17 -4.946 6.142 -18.860 1.00 70.22 H new ATOM 0 HE2 PHE A 17 -2.272 2.868 -18.325 1.00 25.21 H new ATOM 0 HZ PHE A 17 -3.961 4.409 -17.414 1.00 45.40 H new ATOM 225 N PHE A 18 0.523 6.460 -21.504 1.00 10.51 N ATOM 226 CA PHE A 18 1.616 6.251 -20.576 1.00 50.04 C ATOM 227 C PHE A 18 1.344 7.127 -19.369 1.00 10.14 C ATOM 228 O PHE A 18 1.028 8.308 -19.514 1.00 64.22 O ATOM 229 CB PHE A 18 2.983 6.570 -21.217 1.00 0.03 C ATOM 230 CG PHE A 18 3.122 7.968 -21.782 1.00 53.34 C ATOM 231 CD1 PHE A 18 3.575 9.015 -20.990 1.00 52.42 C ATOM 232 CD2 PHE A 18 2.806 8.233 -23.108 1.00 61.11 C ATOM 233 CE1 PHE A 18 3.705 10.290 -21.507 1.00 42.02 C ATOM 234 CE2 PHE A 18 2.936 9.506 -23.628 1.00 74.44 C ATOM 235 CZ PHE A 18 3.385 10.536 -22.827 1.00 11.54 C ATOM 0 H PHE A 18 0.258 7.439 -21.613 1.00 10.51 H new ATOM 0 HA PHE A 18 1.670 5.203 -20.283 1.00 50.04 H new ATOM 0 HB2 PHE A 18 3.761 6.419 -20.468 1.00 0.03 H new ATOM 0 HB3 PHE A 18 3.167 5.853 -22.017 1.00 0.03 H new ATOM 0 HD1 PHE A 18 3.829 8.830 -19.957 1.00 52.42 H new ATOM 0 HD2 PHE A 18 2.454 7.432 -23.742 1.00 61.11 H new ATOM 0 HE1 PHE A 18 4.057 11.094 -20.878 1.00 42.02 H new ATOM 0 HE2 PHE A 18 2.686 9.695 -24.662 1.00 74.44 H new ATOM 0 HZ PHE A 18 3.486 11.532 -23.232 1.00 11.54 H new ATOM 245 N VAL A 19 1.446 6.557 -18.181 1.00 64.01 N ATOM 246 CA VAL A 19 0.946 7.222 -16.986 1.00 61.04 C ATOM 247 C VAL A 19 1.812 6.896 -15.767 1.00 43.40 C ATOM 248 O VAL A 19 2.232 5.745 -15.564 1.00 52.44 O ATOM 249 CB VAL A 19 -0.540 6.833 -16.714 1.00 53.32 C ATOM 250 CG1 VAL A 19 -1.013 7.396 -15.378 1.00 65.33 C ATOM 251 CG2 VAL A 19 -1.460 7.305 -17.854 1.00 2.33 C ATOM 0 H VAL A 19 1.867 5.643 -18.016 1.00 64.01 H new ATOM 0 HA VAL A 19 0.997 8.297 -17.162 1.00 61.04 H new ATOM 0 HB VAL A 19 -0.593 5.745 -16.668 1.00 53.32 H new ATOM 0 HG11 VAL A 19 -2.052 7.112 -15.211 1.00 65.33 H new ATOM 0 HG12 VAL A 19 -0.394 6.997 -14.575 1.00 65.33 H new ATOM 0 HG13 VAL A 19 -0.932 8.483 -15.392 1.00 65.33 H new ATOM 0 HG21 VAL A 19 -2.488 7.018 -17.634 1.00 2.33 H new ATOM 0 HG22 VAL A 19 -1.397 8.389 -17.947 1.00 2.33 H new ATOM 0 HG23 VAL A 19 -1.147 6.842 -18.790 1.00 2.33 H new ATOM 261 N LEU A 20 2.056 7.926 -14.963 1.00 71.33 N ATOM 262 CA LEU A 20 2.906 7.836 -13.784 1.00 52.24 C ATOM 263 C LEU A 20 2.093 8.122 -12.522 1.00 2.41 C ATOM 264 O LEU A 20 1.364 9.122 -12.454 1.00 61.32 O ATOM 265 CB LEU A 20 4.050 8.851 -13.902 1.00 34.34 C ATOM 266 CG LEU A 20 5.135 8.762 -12.817 1.00 23.03 C ATOM 267 CD1 LEU A 20 5.918 7.458 -12.941 1.00 45.00 C ATOM 268 CD2 LEU A 20 6.070 9.969 -12.892 1.00 31.20 C ATOM 0 H LEU A 20 1.664 8.856 -15.114 1.00 71.33 H new ATOM 0 HA LEU A 20 3.315 6.828 -13.717 1.00 52.24 H new ATOM 0 HB2 LEU A 20 4.524 8.725 -14.875 1.00 34.34 H new ATOM 0 HB3 LEU A 20 3.624 9.854 -13.883 1.00 34.34 H new ATOM 0 HG LEU A 20 4.647 8.770 -11.842 1.00 23.03 H new ATOM 0 HD11 LEU A 20 6.681 7.416 -12.163 1.00 45.00 H new ATOM 0 HD12 LEU A 20 5.238 6.613 -12.829 1.00 45.00 H new ATOM 0 HD13 LEU A 20 6.395 7.412 -13.920 1.00 45.00 H new ATOM 0 HD21 LEU A 20 6.831 9.888 -12.116 1.00 31.20 H new ATOM 0 HD22 LEU A 20 6.550 9.997 -13.870 1.00 31.20 H new ATOM 0 HD23 LEU A 20 5.496 10.884 -12.743 1.00 31.20 H new ATOM 280 N VAL A 21 2.215 7.247 -11.529 1.00 52.14 N ATOM 281 CA VAL A 21 1.549 7.434 -10.248 1.00 71.23 C ATOM 282 C VAL A 21 2.573 7.414 -9.112 1.00 12.22 C ATOM 283 O VAL A 21 3.380 6.493 -8.999 1.00 72.33 O ATOM 284 CB VAL A 21 0.460 6.354 -9.995 1.00 12.52 C ATOM 285 CG1 VAL A 21 -0.624 6.420 -11.071 1.00 73.44 C ATOM 286 CG2 VAL A 21 1.063 4.951 -9.931 1.00 14.24 C ATOM 0 H VAL A 21 2.774 6.396 -11.590 1.00 52.14 H new ATOM 0 HA VAL A 21 1.054 8.405 -10.278 1.00 71.23 H new ATOM 0 HB VAL A 21 0.007 6.565 -9.027 1.00 12.52 H new ATOM 0 HG11 VAL A 21 -1.377 5.656 -10.876 1.00 73.44 H new ATOM 0 HG12 VAL A 21 -1.093 7.404 -11.055 1.00 73.44 H new ATOM 0 HG13 VAL A 21 -0.176 6.247 -12.050 1.00 73.44 H new ATOM 0 HG21 VAL A 21 0.272 4.223 -9.753 1.00 14.24 H new ATOM 0 HG22 VAL A 21 1.559 4.725 -10.875 1.00 14.24 H new ATOM 0 HG23 VAL A 21 1.789 4.904 -9.119 1.00 14.24 H new ATOM 296 N ASN A 22 2.557 8.449 -8.293 1.00 5.53 N ATOM 297 CA ASN A 22 3.448 8.535 -7.140 1.00 74.14 C ATOM 298 C ASN A 22 2.813 7.808 -5.960 1.00 13.30 C ATOM 299 O ASN A 22 1.583 7.753 -5.849 1.00 42.42 O ATOM 300 CB ASN A 22 3.710 10.013 -6.793 1.00 33.32 C ATOM 301 CG ASN A 22 4.756 10.231 -5.702 1.00 72.42 C ATOM 302 OD1 ASN A 22 4.954 9.393 -4.828 1.00 41.10 O ATOM 303 ND2 ASN A 22 5.428 11.372 -5.742 1.00 14.32 N ATOM 0 H ASN A 22 1.934 9.249 -8.402 1.00 5.53 H new ATOM 0 HA ASN A 22 4.403 8.063 -7.373 1.00 74.14 H new ATOM 0 HB2 ASN A 22 4.030 10.534 -7.695 1.00 33.32 H new ATOM 0 HB3 ASN A 22 2.773 10.471 -6.477 1.00 33.32 H new ATOM 0 HD21 ASN A 22 6.133 11.574 -5.033 1.00 14.32 H new ATOM 0 HD22 ASN A 22 5.240 12.049 -6.482 1.00 14.32 H new ATOM 310 N ASP A 23 3.642 7.245 -5.088 1.00 70.14 N ATOM 311 CA ASP A 23 3.152 6.578 -3.880 1.00 12.10 C ATOM 312 C ASP A 23 2.301 7.542 -3.054 1.00 71.41 C ATOM 313 O ASP A 23 1.396 7.133 -2.331 1.00 71.12 O ATOM 314 CB ASP A 23 4.328 6.056 -3.041 1.00 34.54 C ATOM 315 CG ASP A 23 3.881 5.450 -1.716 1.00 42.35 C ATOM 316 OD1 ASP A 23 3.177 4.417 -1.736 1.00 24.14 O ATOM 317 OD2 ASP A 23 4.249 5.988 -0.650 1.00 1.54 O ATOM 0 H ASP A 23 4.657 7.235 -5.192 1.00 70.14 H new ATOM 0 HA ASP A 23 2.535 5.730 -4.177 1.00 12.10 H new ATOM 0 HB2 ASP A 23 4.873 5.306 -3.614 1.00 34.54 H new ATOM 0 HB3 ASP A 23 5.022 6.874 -2.846 1.00 34.54 H new ATOM 322 N GLU A 24 2.581 8.833 -3.209 1.00 62.34 N ATOM 323 CA GLU A 24 1.875 9.887 -2.487 1.00 11.53 C ATOM 324 C GLU A 24 0.525 10.216 -3.144 1.00 61.53 C ATOM 325 O GLU A 24 -0.067 11.258 -2.859 1.00 72.22 O ATOM 326 CB GLU A 24 2.764 11.135 -2.423 1.00 73.32 C ATOM 327 CG GLU A 24 4.178 10.836 -1.937 1.00 13.22 C ATOM 328 CD GLU A 24 5.070 12.063 -1.920 1.00 2.14 C ATOM 329 OE1 GLU A 24 5.392 12.587 -3.004 1.00 11.22 O ATOM 330 OE2 GLU A 24 5.453 12.513 -0.819 1.00 51.24 O ATOM 0 H GLU A 24 3.305 9.178 -3.840 1.00 62.34 H new ATOM 0 HA GLU A 24 1.663 9.536 -1.477 1.00 11.53 H new ATOM 0 HB2 GLU A 24 2.814 11.589 -3.413 1.00 73.32 H new ATOM 0 HB3 GLU A 24 2.305 11.867 -1.759 1.00 73.32 H new ATOM 0 HG2 GLU A 24 4.130 10.415 -0.933 1.00 13.22 H new ATOM 0 HG3 GLU A 24 4.625 10.078 -2.580 1.00 13.22 H new ATOM 337 N GLU A 25 0.061 9.315 -4.018 1.00 62.13 N ATOM 338 CA GLU A 25 -1.253 9.419 -4.675 1.00 0.22 C ATOM 339 C GLU A 25 -1.280 10.498 -5.761 1.00 61.13 C ATOM 340 O GLU A 25 -2.353 10.935 -6.181 1.00 70.13 O ATOM 341 CB GLU A 25 -2.381 9.662 -3.653 1.00 4.34 C ATOM 342 CG GLU A 25 -2.617 8.492 -2.701 1.00 45.50 C ATOM 343 CD GLU A 25 -3.823 8.707 -1.798 1.00 73.30 C ATOM 344 OE1 GLU A 25 -3.661 9.301 -0.711 1.00 32.12 O ATOM 345 OE2 GLU A 25 -4.940 8.289 -2.176 1.00 62.44 O ATOM 0 H GLU A 25 0.588 8.486 -4.293 1.00 62.13 H new ATOM 0 HA GLU A 25 -1.426 8.458 -5.160 1.00 0.22 H new ATOM 0 HB2 GLU A 25 -2.143 10.551 -3.069 1.00 4.34 H new ATOM 0 HB3 GLU A 25 -3.306 9.872 -4.191 1.00 4.34 H new ATOM 0 HG2 GLU A 25 -2.760 7.580 -3.280 1.00 45.50 H new ATOM 0 HG3 GLU A 25 -1.729 8.344 -2.086 1.00 45.50 H new ATOM 352 N GLN A 26 -0.108 10.908 -6.236 1.00 10.22 N ATOM 353 CA GLN A 26 -0.034 11.835 -7.366 1.00 54.01 C ATOM 354 C GLN A 26 -0.307 11.077 -8.668 1.00 30.13 C ATOM 355 O GLN A 26 0.297 10.033 -8.916 1.00 21.03 O ATOM 356 CB GLN A 26 1.336 12.522 -7.429 1.00 31.13 C ATOM 357 CG GLN A 26 1.664 13.360 -6.200 1.00 12.34 C ATOM 358 CD GLN A 26 0.666 14.483 -5.972 1.00 24.51 C ATOM 359 OE1 GLN A 26 -0.337 14.307 -5.281 1.00 3.34 O ATOM 360 NE2 GLN A 26 0.930 15.644 -6.551 1.00 4.44 N ATOM 0 H GLN A 26 0.796 10.618 -5.863 1.00 10.22 H new ATOM 0 HA GLN A 26 -0.789 12.609 -7.230 1.00 54.01 H new ATOM 0 HB2 GLN A 26 2.107 11.762 -7.555 1.00 31.13 H new ATOM 0 HB3 GLN A 26 1.371 13.160 -8.312 1.00 31.13 H new ATOM 0 HG2 GLN A 26 1.686 12.715 -5.321 1.00 12.34 H new ATOM 0 HG3 GLN A 26 2.662 13.784 -6.310 1.00 12.34 H new ATOM 0 HE21 GLN A 26 1.772 15.752 -7.117 1.00 4.44 H new ATOM 0 HE22 GLN A 26 0.292 16.430 -6.431 1.00 4.44 H new ATOM 369 N HIS A 27 -1.215 11.596 -9.487 1.00 62.23 N ATOM 370 CA HIS A 27 -1.636 10.915 -10.715 1.00 32.31 C ATOM 371 C HIS A 27 -1.432 11.815 -11.932 1.00 32.43 C ATOM 372 O HIS A 27 -2.152 12.797 -12.112 1.00 70.43 O ATOM 373 CB HIS A 27 -3.113 10.497 -10.606 1.00 4.31 C ATOM 374 CG HIS A 27 -3.372 9.491 -9.530 1.00 71.13 C ATOM 375 ND1 HIS A 27 -3.821 9.827 -8.274 1.00 63.43 N ATOM 376 CD2 HIS A 27 -3.237 8.146 -9.530 1.00 74.11 C ATOM 377 CE1 HIS A 27 -3.949 8.733 -7.547 1.00 60.13 C ATOM 378 NE2 HIS A 27 -3.598 7.698 -8.287 1.00 72.25 N ATOM 0 H HIS A 27 -1.678 12.490 -9.325 1.00 62.23 H new ATOM 0 HA HIS A 27 -1.022 10.024 -10.842 1.00 32.31 H new ATOM 0 HB2 HIS A 27 -3.720 11.383 -10.418 1.00 4.31 H new ATOM 0 HB3 HIS A 27 -3.437 10.086 -11.562 1.00 4.31 H new ATOM 0 HD2 HIS A 27 -2.905 7.537 -10.358 1.00 74.11 H new ATOM 0 HE1 HIS A 27 -4.284 8.692 -6.521 1.00 60.13 H new ATOM 0 HE2 HIS A 27 -3.596 6.724 -7.983 1.00 72.25 H new ATOM 387 N SER A 28 -0.443 11.482 -12.763 1.00 43.31 N ATOM 388 CA SER A 28 -0.131 12.271 -13.957 1.00 70.43 C ATOM 389 C SER A 28 0.559 11.393 -15.005 1.00 3.04 C ATOM 390 O SER A 28 0.494 10.169 -14.927 1.00 45.11 O ATOM 391 CB SER A 28 0.764 13.465 -13.576 1.00 24.32 C ATOM 392 OG SER A 28 0.114 14.323 -12.646 1.00 33.21 O ATOM 0 H SER A 28 0.158 10.668 -12.631 1.00 43.31 H new ATOM 0 HA SER A 28 -1.058 12.652 -14.385 1.00 70.43 H new ATOM 0 HB2 SER A 28 1.697 13.100 -13.147 1.00 24.32 H new ATOM 0 HB3 SER A 28 1.024 14.028 -14.473 1.00 24.32 H new ATOM 0 HG SER A 28 0.706 15.071 -12.421 1.00 33.21 H new ATOM 398 N LEU A 29 1.199 12.019 -15.991 1.00 3.41 N ATOM 399 CA LEU A 29 1.970 11.294 -17.004 1.00 62.52 C ATOM 400 C LEU A 29 3.460 11.555 -16.790 1.00 23.32 C ATOM 401 O LEU A 29 3.831 12.542 -16.151 1.00 31.35 O ATOM 402 CB LEU A 29 1.549 11.693 -18.433 1.00 32.03 C ATOM 403 CG LEU A 29 1.832 13.151 -18.854 1.00 23.25 C ATOM 404 CD1 LEU A 29 1.664 13.314 -20.361 1.00 5.44 C ATOM 405 CD2 LEU A 29 0.914 14.127 -18.115 1.00 25.14 C ATOM 0 H LEU A 29 1.200 13.032 -16.112 1.00 3.41 H new ATOM 0 HA LEU A 29 1.767 10.229 -16.894 1.00 62.52 H new ATOM 0 HB2 LEU A 29 2.056 11.031 -19.135 1.00 32.03 H new ATOM 0 HB3 LEU A 29 0.480 11.510 -18.537 1.00 32.03 H new ATOM 0 HG LEU A 29 2.863 13.382 -18.586 1.00 23.25 H new ATOM 0 HD11 LEU A 29 1.867 14.348 -20.640 1.00 5.44 H new ATOM 0 HD12 LEU A 29 2.361 12.655 -20.878 1.00 5.44 H new ATOM 0 HD13 LEU A 29 0.643 13.056 -20.643 1.00 5.44 H new ATOM 0 HD21 LEU A 29 1.136 15.146 -18.432 1.00 25.14 H new ATOM 0 HD22 LEU A 29 -0.126 13.894 -18.345 1.00 25.14 H new ATOM 0 HD23 LEU A 29 1.077 14.037 -17.041 1.00 25.14 H new ATOM 417 N TRP A 30 4.309 10.676 -17.316 1.00 23.42 N ATOM 418 CA TRP A 30 5.755 10.781 -17.104 1.00 41.14 C ATOM 419 C TRP A 30 6.471 11.130 -18.406 1.00 34.24 C ATOM 420 O TRP A 30 6.020 10.753 -19.490 1.00 3.43 O ATOM 421 CB TRP A 30 6.318 9.469 -16.528 1.00 13.11 C ATOM 422 CG TRP A 30 6.234 8.294 -17.461 1.00 12.31 C ATOM 423 CD1 TRP A 30 5.103 7.657 -17.884 1.00 71.00 C ATOM 424 CD2 TRP A 30 7.335 7.609 -18.073 1.00 3.12 C ATOM 425 NE1 TRP A 30 5.433 6.625 -18.729 1.00 33.35 N ATOM 426 CE2 TRP A 30 6.798 6.576 -18.859 1.00 25.44 C ATOM 427 CE3 TRP A 30 8.725 7.777 -18.033 1.00 53.21 C ATOM 428 CZ2 TRP A 30 7.602 5.710 -19.599 1.00 51.20 C ATOM 429 CZ3 TRP A 30 9.521 6.917 -18.768 1.00 55.34 C ATOM 430 CH2 TRP A 30 8.958 5.896 -19.543 1.00 73.31 C ATOM 0 H TRP A 30 4.024 9.884 -17.891 1.00 23.42 H new ATOM 0 HA TRP A 30 5.930 11.582 -16.386 1.00 41.14 H new ATOM 0 HB2 TRP A 30 7.361 9.625 -16.253 1.00 13.11 H new ATOM 0 HB3 TRP A 30 5.780 9.229 -15.611 1.00 13.11 H new ATOM 0 HD1 TRP A 30 4.097 7.925 -17.597 1.00 71.00 H new ATOM 0 HE1 TRP A 30 4.771 5.997 -19.185 1.00 33.35 H new ATOM 0 HE3 TRP A 30 9.167 8.563 -17.439 1.00 53.21 H new ATOM 0 HZ2 TRP A 30 7.171 4.920 -20.196 1.00 51.20 H new ATOM 0 HZ3 TRP A 30 10.594 7.035 -18.744 1.00 55.34 H new ATOM 0 HH2 TRP A 30 9.606 5.242 -20.108 1.00 73.31 H new ATOM 441 N PRO A 31 7.590 11.873 -18.320 1.00 52.54 N ATOM 442 CA PRO A 31 8.423 12.170 -19.483 1.00 35.33 C ATOM 443 C PRO A 31 9.093 10.902 -20.010 1.00 43.41 C ATOM 444 O PRO A 31 10.143 10.489 -19.517 1.00 35.31 O ATOM 445 CB PRO A 31 9.460 13.171 -18.945 1.00 30.22 C ATOM 446 CG PRO A 31 9.521 12.895 -17.479 1.00 33.12 C ATOM 447 CD PRO A 31 8.126 12.482 -17.086 1.00 24.30 C ATOM 0 HA PRO A 31 7.855 12.571 -20.322 1.00 35.33 H new ATOM 0 HB2 PRO A 31 10.432 13.027 -19.417 1.00 30.22 H new ATOM 0 HB3 PRO A 31 9.159 14.200 -19.143 1.00 30.22 H new ATOM 0 HG2 PRO A 31 10.240 12.106 -17.258 1.00 33.12 H new ATOM 0 HG3 PRO A 31 9.838 13.779 -16.926 1.00 33.12 H new ATOM 0 HD2 PRO A 31 8.135 11.772 -16.259 1.00 24.30 H new ATOM 0 HD3 PRO A 31 7.529 13.336 -16.767 1.00 24.30 H new ATOM 455 N ALA A 32 8.454 10.274 -20.996 1.00 64.13 N ATOM 456 CA ALA A 32 8.951 9.030 -21.588 1.00 5.22 C ATOM 457 C ALA A 32 10.369 9.192 -22.135 1.00 54.03 C ATOM 458 O ALA A 32 11.082 8.211 -22.349 1.00 51.42 O ATOM 459 CB ALA A 32 8.008 8.560 -22.689 1.00 31.45 C ATOM 0 H ALA A 32 7.582 10.610 -21.406 1.00 64.13 H new ATOM 0 HA ALA A 32 8.986 8.277 -20.801 1.00 5.22 H new ATOM 0 HB1 ALA A 32 8.387 7.634 -23.122 1.00 31.45 H new ATOM 0 HB2 ALA A 32 7.017 8.385 -22.269 1.00 31.45 H new ATOM 0 HB3 ALA A 32 7.944 9.324 -23.464 1.00 31.45 H new ATOM 465 N PHE A 33 10.772 10.440 -22.343 1.00 65.24 N ATOM 466 CA PHE A 33 12.079 10.759 -22.909 1.00 41.30 C ATOM 467 C PHE A 33 13.147 10.794 -21.815 1.00 64.43 C ATOM 468 O PHE A 33 14.316 11.079 -22.082 1.00 54.03 O ATOM 469 CB PHE A 33 12.004 12.116 -23.623 1.00 70.23 C ATOM 470 CG PHE A 33 10.727 12.299 -24.408 1.00 14.54 C ATOM 471 CD1 PHE A 33 10.568 11.702 -25.649 1.00 34.35 C ATOM 472 CD2 PHE A 33 9.681 13.053 -23.891 1.00 21.21 C ATOM 473 CE1 PHE A 33 9.393 11.857 -26.360 1.00 3.51 C ATOM 474 CE2 PHE A 33 8.505 13.208 -24.598 1.00 25.54 C ATOM 475 CZ PHE A 33 8.362 12.610 -25.833 1.00 72.43 C ATOM 0 H PHE A 33 10.204 11.259 -22.125 1.00 65.24 H new ATOM 0 HA PHE A 33 12.355 9.986 -23.626 1.00 41.30 H new ATOM 0 HB2 PHE A 33 12.088 12.914 -22.885 1.00 70.23 H new ATOM 0 HB3 PHE A 33 12.855 12.214 -24.297 1.00 70.23 H new ATOM 0 HD1 PHE A 33 11.370 11.110 -26.064 1.00 34.35 H new ATOM 0 HD2 PHE A 33 9.789 13.523 -22.925 1.00 21.21 H new ATOM 0 HE1 PHE A 33 9.281 11.390 -27.327 1.00 3.51 H new ATOM 0 HE2 PHE A 33 7.699 13.796 -24.185 1.00 25.54 H new ATOM 0 HZ PHE A 33 7.443 12.731 -26.388 1.00 72.43 H new ATOM 485 N ALA A 34 12.737 10.493 -20.583 1.00 11.31 N ATOM 486 CA ALA A 34 13.629 10.537 -19.427 1.00 4.15 C ATOM 487 C ALA A 34 13.446 9.300 -18.550 1.00 15.35 C ATOM 488 O ALA A 34 12.602 8.445 -18.834 1.00 1.33 O ATOM 489 CB ALA A 34 13.381 11.809 -18.621 1.00 42.14 C ATOM 0 H ALA A 34 11.782 10.213 -20.360 1.00 11.31 H new ATOM 0 HA ALA A 34 14.658 10.545 -19.785 1.00 4.15 H new ATOM 0 HB1 ALA A 34 14.051 11.832 -17.762 1.00 42.14 H new ATOM 0 HB2 ALA A 34 13.567 12.680 -19.249 1.00 42.14 H new ATOM 0 HB3 ALA A 34 12.347 11.825 -18.276 1.00 42.14 H new ATOM 495 N ASP A 35 14.255 9.201 -17.499 1.00 65.10 N ATOM 496 CA ASP A 35 14.172 8.090 -16.552 1.00 21.44 C ATOM 497 C ASP A 35 13.294 8.478 -15.365 1.00 35.34 C ATOM 498 O ASP A 35 13.354 9.611 -14.884 1.00 10.32 O ATOM 499 CB ASP A 35 15.573 7.689 -16.060 1.00 10.33 C ATOM 500 CG ASP A 35 16.396 6.964 -17.118 1.00 71.31 C ATOM 501 OD1 ASP A 35 16.924 7.632 -18.036 1.00 62.15 O ATOM 502 OD2 ASP A 35 16.531 5.723 -17.032 1.00 74.13 O ATOM 0 H ASP A 35 14.982 9.882 -17.279 1.00 65.10 H new ATOM 0 HA ASP A 35 13.727 7.236 -17.062 1.00 21.44 H new ATOM 0 HB2 ASP A 35 16.109 8.583 -15.742 1.00 10.33 H new ATOM 0 HB3 ASP A 35 15.474 7.048 -15.184 1.00 10.33 H new ATOM 507 N VAL A 36 12.472 7.536 -14.906 1.00 51.02 N ATOM 508 CA VAL A 36 11.574 7.777 -13.780 1.00 14.20 C ATOM 509 C VAL A 36 12.378 7.862 -12.474 1.00 74.22 C ATOM 510 O VAL A 36 13.137 6.942 -12.152 1.00 4.35 O ATOM 511 CB VAL A 36 10.500 6.664 -13.649 1.00 52.15 C ATOM 512 CG1 VAL A 36 9.561 6.958 -12.476 1.00 54.14 C ATOM 513 CG2 VAL A 36 9.711 6.505 -14.955 1.00 3.12 C ATOM 0 H VAL A 36 12.410 6.597 -15.298 1.00 51.02 H new ATOM 0 HA VAL A 36 11.064 8.722 -13.967 1.00 14.20 H new ATOM 0 HB VAL A 36 11.010 5.721 -13.451 1.00 52.15 H new ATOM 0 HG11 VAL A 36 8.815 6.167 -12.400 1.00 54.14 H new ATOM 0 HG12 VAL A 36 10.137 7.004 -11.552 1.00 54.14 H new ATOM 0 HG13 VAL A 36 9.062 7.913 -12.640 1.00 54.14 H new ATOM 0 HG21 VAL A 36 8.965 5.719 -14.836 1.00 3.12 H new ATOM 0 HG22 VAL A 36 9.213 7.444 -15.196 1.00 3.12 H new ATOM 0 HG23 VAL A 36 10.393 6.239 -15.762 1.00 3.12 H new ATOM 523 N PRO A 37 12.241 8.972 -11.719 1.00 42.20 N ATOM 524 CA PRO A 37 12.939 9.158 -10.437 1.00 21.34 C ATOM 525 C PRO A 37 12.398 8.245 -9.327 1.00 1.14 C ATOM 526 O PRO A 37 11.581 7.349 -9.574 1.00 71.23 O ATOM 527 CB PRO A 37 12.694 10.645 -10.095 1.00 33.33 C ATOM 528 CG PRO A 37 12.150 11.254 -11.347 1.00 74.14 C ATOM 529 CD PRO A 37 11.427 10.147 -12.059 1.00 3.15 C ATOM 0 HA PRO A 37 13.995 8.899 -10.515 1.00 21.34 H new ATOM 0 HB2 PRO A 37 11.990 10.748 -9.270 1.00 33.33 H new ATOM 0 HB3 PRO A 37 13.618 11.135 -9.788 1.00 33.33 H new ATOM 0 HG2 PRO A 37 11.475 12.079 -11.119 1.00 74.14 H new ATOM 0 HG3 PRO A 37 12.951 11.659 -11.965 1.00 74.14 H new ATOM 0 HD2 PRO A 37 10.399 10.044 -11.712 1.00 3.15 H new ATOM 0 HD3 PRO A 37 11.385 10.315 -13.135 1.00 3.15 H new ATOM 537 N ALA A 38 12.861 8.477 -8.102 1.00 5.25 N ATOM 538 CA ALA A 38 12.465 7.668 -6.955 1.00 34.34 C ATOM 539 C ALA A 38 11.112 8.121 -6.407 1.00 32.33 C ATOM 540 O ALA A 38 10.784 9.310 -6.436 1.00 13.31 O ATOM 541 CB ALA A 38 13.533 7.747 -5.871 1.00 11.05 C ATOM 0 H ALA A 38 13.517 9.226 -7.878 1.00 5.25 H new ATOM 0 HA ALA A 38 12.365 6.632 -7.280 1.00 34.34 H new ATOM 0 HB1 ALA A 38 13.231 7.140 -5.017 1.00 11.05 H new ATOM 0 HB2 ALA A 38 14.479 7.374 -6.264 1.00 11.05 H new ATOM 0 HB3 ALA A 38 13.655 8.783 -5.555 1.00 11.05 H new ATOM 547 N GLY A 39 10.327 7.166 -5.914 1.00 34.21 N ATOM 548 CA GLY A 39 9.029 7.475 -5.331 1.00 13.01 C ATOM 549 C GLY A 39 7.898 7.343 -6.334 1.00 60.32 C ATOM 550 O GLY A 39 6.775 6.976 -5.979 1.00 53.32 O ATOM 0 H GLY A 39 10.568 6.175 -5.908 1.00 34.21 H new ATOM 0 HA2 GLY A 39 8.844 6.808 -4.489 1.00 13.01 H new ATOM 0 HA3 GLY A 39 9.044 8.491 -4.936 1.00 13.01 H new ATOM 554 N TRP A 40 8.197 7.644 -7.592 1.00 51.51 N ATOM 555 CA TRP A 40 7.215 7.562 -8.664 1.00 73.43 C ATOM 556 C TRP A 40 7.176 6.140 -9.210 1.00 13.52 C ATOM 557 O TRP A 40 8.224 5.516 -9.391 1.00 74.51 O ATOM 558 CB TRP A 40 7.578 8.526 -9.797 1.00 45.14 C ATOM 559 CG TRP A 40 7.988 9.894 -9.335 1.00 44.13 C ATOM 560 CD1 TRP A 40 9.243 10.286 -8.970 1.00 34.43 C ATOM 561 CD2 TRP A 40 7.149 11.051 -9.196 1.00 12.14 C ATOM 562 NE1 TRP A 40 9.239 11.606 -8.612 1.00 74.20 N ATOM 563 CE2 TRP A 40 7.967 12.102 -8.738 1.00 71.13 C ATOM 564 CE3 TRP A 40 5.790 11.300 -9.411 1.00 32.41 C ATOM 565 CZ2 TRP A 40 7.473 13.379 -8.497 1.00 14.53 C ATOM 566 CZ3 TRP A 40 5.299 12.570 -9.168 1.00 71.15 C ATOM 567 CH2 TRP A 40 6.139 13.595 -8.714 1.00 62.31 C ATOM 0 H TRP A 40 9.121 7.950 -7.896 1.00 51.51 H new ATOM 0 HA TRP A 40 6.238 7.835 -8.265 1.00 73.43 H new ATOM 0 HB2 TRP A 40 8.391 8.093 -10.380 1.00 45.14 H new ATOM 0 HB3 TRP A 40 6.722 8.622 -10.465 1.00 45.14 H new ATOM 0 HD1 TRP A 40 10.113 9.647 -8.965 1.00 34.43 H new ATOM 0 HE1 TRP A 40 10.053 12.137 -8.301 1.00 74.20 H new ATOM 0 HE3 TRP A 40 5.136 10.515 -9.760 1.00 32.41 H new ATOM 0 HZ2 TRP A 40 8.119 14.172 -8.151 1.00 14.53 H new ATOM 0 HZ3 TRP A 40 4.251 12.775 -9.331 1.00 71.15 H new ATOM 0 HH2 TRP A 40 5.725 14.576 -8.531 1.00 62.31 H new ATOM 578 N ARG A 41 5.977 5.624 -9.452 1.00 24.31 N ATOM 579 CA ARG A 41 5.810 4.301 -10.054 1.00 20.05 C ATOM 580 C ARG A 41 5.011 4.434 -11.349 1.00 55.23 C ATOM 581 O ARG A 41 3.927 5.017 -11.353 1.00 13.03 O ATOM 582 CB ARG A 41 5.083 3.334 -9.093 1.00 53.34 C ATOM 583 CG ARG A 41 5.569 3.375 -7.640 1.00 52.42 C ATOM 584 CD ARG A 41 7.083 3.236 -7.524 1.00 12.34 C ATOM 585 NE ARG A 41 7.592 1.995 -8.113 1.00 63.22 N ATOM 586 CZ ARG A 41 8.702 1.922 -8.852 1.00 44.45 C ATOM 587 NH1 ARG A 41 9.347 3.027 -9.214 1.00 42.12 N ATOM 588 NH2 ARG A 41 9.148 0.743 -9.256 1.00 31.14 N ATOM 0 H ARG A 41 5.101 6.102 -9.241 1.00 24.31 H new ATOM 0 HA ARG A 41 6.798 3.890 -10.263 1.00 20.05 H new ATOM 0 HB2 ARG A 41 4.017 3.562 -9.110 1.00 53.34 H new ATOM 0 HB3 ARG A 41 5.197 2.318 -9.470 1.00 53.34 H new ATOM 0 HG2 ARG A 41 5.258 4.315 -7.183 1.00 52.42 H new ATOM 0 HG3 ARG A 41 5.090 2.573 -7.078 1.00 52.42 H new ATOM 0 HD2 ARG A 41 7.559 4.086 -8.014 1.00 12.34 H new ATOM 0 HD3 ARG A 41 7.366 3.275 -6.472 1.00 12.34 H new ATOM 0 HE ARG A 41 7.068 1.136 -7.949 1.00 63.22 H new ATOM 0 HH11 ARG A 41 8.995 3.940 -8.927 1.00 42.12 H new ATOM 0 HH12 ARG A 41 10.194 2.961 -9.778 1.00 42.12 H new ATOM 0 HH21 ARG A 41 8.644 -0.107 -9.003 1.00 31.14 H new ATOM 0 HH22 ARG A 41 9.996 0.684 -9.821 1.00 31.14 H new ATOM 602 N VAL A 42 5.542 3.913 -12.448 1.00 41.41 N ATOM 603 CA VAL A 42 4.853 3.989 -13.732 1.00 54.33 C ATOM 604 C VAL A 42 3.874 2.823 -13.880 1.00 41.04 C ATOM 605 O VAL A 42 4.221 1.673 -13.591 1.00 60.22 O ATOM 606 CB VAL A 42 5.857 4.006 -14.919 1.00 3.04 C ATOM 607 CG1 VAL A 42 6.660 2.706 -14.989 1.00 41.04 C ATOM 608 CG2 VAL A 42 5.135 4.278 -16.240 1.00 13.44 C ATOM 0 H VAL A 42 6.443 3.435 -12.477 1.00 41.41 H new ATOM 0 HA VAL A 42 4.296 4.926 -13.755 1.00 54.33 H new ATOM 0 HB VAL A 42 6.562 4.819 -14.746 1.00 3.04 H new ATOM 0 HG11 VAL A 42 7.352 2.751 -15.830 1.00 41.04 H new ATOM 0 HG12 VAL A 42 7.221 2.574 -14.064 1.00 41.04 H new ATOM 0 HG13 VAL A 42 5.980 1.865 -15.124 1.00 41.04 H new ATOM 0 HG21 VAL A 42 5.858 4.285 -17.055 1.00 13.44 H new ATOM 0 HG22 VAL A 42 4.395 3.497 -16.418 1.00 13.44 H new ATOM 0 HG23 VAL A 42 4.636 5.246 -16.189 1.00 13.44 H new ATOM 618 N VAL A 43 2.643 3.122 -14.302 1.00 12.04 N ATOM 619 CA VAL A 43 1.634 2.079 -14.505 1.00 4.12 C ATOM 620 C VAL A 43 1.720 1.537 -15.930 1.00 0.32 C ATOM 621 O VAL A 43 1.548 0.343 -16.166 1.00 14.03 O ATOM 622 CB VAL A 43 0.187 2.584 -14.234 1.00 51.33 C ATOM 623 CG1 VAL A 43 0.037 3.096 -12.805 1.00 51.05 C ATOM 624 CG2 VAL A 43 -0.225 3.661 -15.231 1.00 73.33 C ATOM 0 H VAL A 43 2.323 4.068 -14.508 1.00 12.04 H new ATOM 0 HA VAL A 43 1.848 1.289 -13.785 1.00 4.12 H new ATOM 0 HB VAL A 43 -0.480 1.731 -14.363 1.00 51.33 H new ATOM 0 HG11 VAL A 43 -0.985 3.441 -12.648 1.00 51.05 H new ATOM 0 HG12 VAL A 43 0.260 2.291 -12.105 1.00 51.05 H new ATOM 0 HG13 VAL A 43 0.729 3.922 -12.640 1.00 51.05 H new ATOM 0 HG21 VAL A 43 -1.241 3.990 -15.012 1.00 73.33 H new ATOM 0 HG22 VAL A 43 0.456 4.509 -15.153 1.00 73.33 H new ATOM 0 HG23 VAL A 43 -0.185 3.255 -16.242 1.00 73.33 H new ATOM 634 N HIS A 44 1.992 2.438 -16.875 1.00 64.55 N ATOM 635 CA HIS A 44 2.107 2.091 -18.293 1.00 44.42 C ATOM 636 C HIS A 44 3.121 3.008 -18.965 1.00 73.35 C ATOM 637 O HIS A 44 3.087 4.227 -18.767 1.00 2.12 O ATOM 638 CB HIS A 44 0.747 2.204 -19.012 1.00 33.41 C ATOM 639 CG HIS A 44 -0.183 1.045 -18.777 1.00 64.22 C ATOM 640 ND1 HIS A 44 -0.336 0.015 -19.679 1.00 63.31 N ATOM 641 CD2 HIS A 44 -1.015 0.759 -17.742 1.00 24.33 C ATOM 642 CE1 HIS A 44 -1.220 -0.852 -19.211 1.00 61.35 C ATOM 643 NE2 HIS A 44 -1.647 -0.423 -18.038 1.00 12.24 N ATOM 0 H HIS A 44 2.139 3.428 -16.680 1.00 64.55 H new ATOM 0 HA HIS A 44 2.441 1.056 -18.362 1.00 44.42 H new ATOM 0 HB2 HIS A 44 0.254 3.120 -18.687 1.00 33.41 H new ATOM 0 HB3 HIS A 44 0.924 2.300 -20.083 1.00 33.41 H new ATOM 0 HD2 HIS A 44 -1.154 1.352 -16.850 1.00 24.33 H new ATOM 0 HE1 HIS A 44 -1.538 -1.758 -19.706 1.00 61.35 H new ATOM 0 HE2 HIS A 44 -2.334 -0.893 -17.448 1.00 12.24 H new ATOM 652 N GLY A 45 4.034 2.418 -19.728 1.00 42.11 N ATOM 653 CA GLY A 45 4.991 3.190 -20.499 1.00 12.53 C ATOM 654 C GLY A 45 4.453 3.503 -21.881 1.00 61.03 C ATOM 655 O GLY A 45 3.303 3.177 -22.181 1.00 13.13 O ATOM 0 H GLY A 45 4.129 1.407 -19.827 1.00 42.11 H new ATOM 0 HA2 GLY A 45 5.220 4.118 -19.976 1.00 12.53 H new ATOM 0 HA3 GLY A 45 5.925 2.635 -20.586 1.00 12.53 H new ATOM 659 N GLU A 46 5.280 4.124 -22.724 1.00 70.20 N ATOM 660 CA GLU A 46 4.875 4.480 -24.084 1.00 12.32 C ATOM 661 C GLU A 46 4.367 3.240 -24.829 1.00 41.42 C ATOM 662 O GLU A 46 4.994 2.177 -24.781 1.00 12.04 O ATOM 663 CB GLU A 46 6.046 5.145 -24.827 1.00 10.22 C ATOM 664 CG GLU A 46 7.292 4.270 -24.965 1.00 43.31 C ATOM 665 CD GLU A 46 8.402 4.954 -25.753 1.00 74.34 C ATOM 666 OE1 GLU A 46 9.105 5.812 -25.181 1.00 5.12 O ATOM 667 OE2 GLU A 46 8.575 4.644 -26.951 1.00 62.12 O ATOM 0 H GLU A 46 6.236 4.391 -22.488 1.00 70.20 H new ATOM 0 HA GLU A 46 4.056 5.198 -24.038 1.00 12.32 H new ATOM 0 HB2 GLU A 46 5.710 5.435 -25.822 1.00 10.22 H new ATOM 0 HB3 GLU A 46 6.318 6.061 -24.303 1.00 10.22 H new ATOM 0 HG2 GLU A 46 7.662 4.011 -23.973 1.00 43.31 H new ATOM 0 HG3 GLU A 46 7.023 3.336 -25.459 1.00 43.31 H new ATOM 674 N ALA A 47 3.229 3.374 -25.506 1.00 23.10 N ATOM 675 CA ALA A 47 2.511 2.224 -26.052 1.00 63.51 C ATOM 676 C ALA A 47 1.960 2.485 -27.457 1.00 73.41 C ATOM 677 O ALA A 47 2.190 3.545 -28.047 1.00 62.32 O ATOM 678 CB ALA A 47 1.387 1.832 -25.103 1.00 61.02 C ATOM 0 H ALA A 47 2.782 4.272 -25.690 1.00 23.10 H new ATOM 0 HA ALA A 47 3.222 1.404 -26.145 1.00 63.51 H new ATOM 0 HB1 ALA A 47 0.851 0.974 -25.509 1.00 61.02 H new ATOM 0 HB2 ALA A 47 1.806 1.571 -24.131 1.00 61.02 H new ATOM 0 HB3 ALA A 47 0.699 2.669 -24.989 1.00 61.02 H new ATOM 684 N ASP A 48 1.252 1.482 -27.980 1.00 43.44 N ATOM 685 CA ASP A 48 0.674 1.503 -29.330 1.00 51.31 C ATOM 686 C ASP A 48 -0.268 2.689 -29.548 1.00 41.22 C ATOM 687 O ASP A 48 -0.722 3.334 -28.595 1.00 41.42 O ATOM 688 CB ASP A 48 -0.124 0.214 -29.575 1.00 34.15 C ATOM 689 CG ASP A 48 0.692 -1.048 -29.360 1.00 34.52 C ATOM 690 OD1 ASP A 48 1.023 -1.354 -28.194 1.00 44.10 O ATOM 691 OD2 ASP A 48 0.992 -1.746 -30.352 1.00 61.52 O ATOM 0 H ASP A 48 1.060 0.619 -27.472 1.00 43.44 H new ATOM 0 HA ASP A 48 1.509 1.591 -30.025 1.00 51.31 H new ATOM 0 HB2 ASP A 48 -0.987 0.198 -28.910 1.00 34.15 H new ATOM 0 HB3 ASP A 48 -0.508 0.221 -30.595 1.00 34.15 H new ATOM 696 N ARG A 49 -0.600 2.945 -30.817 1.00 53.53 N ATOM 697 CA ARG A 49 -1.587 3.970 -31.153 1.00 35.31 C ATOM 698 C ARG A 49 -2.933 3.615 -30.522 1.00 63.41 C ATOM 699 O ARG A 49 -3.731 4.492 -30.205 1.00 64.05 O ATOM 700 CB ARG A 49 -1.755 4.127 -32.671 1.00 64.50 C ATOM 701 CG ARG A 49 -2.489 2.963 -33.343 1.00 25.32 C ATOM 702 CD ARG A 49 -3.462 3.444 -34.418 1.00 61.13 C ATOM 703 NE ARG A 49 -2.786 4.123 -35.526 1.00 44.12 N ATOM 704 CZ ARG A 49 -3.341 4.345 -36.721 1.00 64.24 C ATOM 705 NH1 ARG A 49 -4.563 3.894 -36.994 1.00 24.55 N ATOM 706 NH2 ARG A 49 -2.664 5.010 -37.648 1.00 74.33 N ATOM 0 H ARG A 49 -0.202 2.460 -31.621 1.00 53.53 H new ATOM 0 HA ARG A 49 -1.227 4.920 -30.758 1.00 35.31 H new ATOM 0 HB2 ARG A 49 -2.299 5.050 -32.872 1.00 64.50 H new ATOM 0 HB3 ARG A 49 -0.770 4.232 -33.126 1.00 64.50 H new ATOM 0 HG2 ARG A 49 -1.762 2.285 -33.790 1.00 25.32 H new ATOM 0 HG3 ARG A 49 -3.034 2.394 -32.589 1.00 25.32 H new ATOM 0 HD2 ARG A 49 -4.020 2.592 -34.805 1.00 61.13 H new ATOM 0 HD3 ARG A 49 -4.187 4.123 -33.969 1.00 61.13 H new ATOM 0 HE ARG A 49 -1.831 4.447 -35.376 1.00 44.12 H new ATOM 0 HH11 ARG A 49 -5.084 3.374 -36.288 1.00 24.55 H new ATOM 0 HH12 ARG A 49 -4.978 4.068 -37.909 1.00 24.55 H new ATOM 0 HH21 ARG A 49 -1.723 5.350 -37.447 1.00 74.33 H new ATOM 0 HH22 ARG A 49 -3.084 5.182 -38.562 1.00 74.33 H new ATOM 720 N ALA A 50 -3.178 2.317 -30.347 1.00 72.03 N ATOM 721 CA ALA A 50 -4.375 1.850 -29.654 1.00 51.03 C ATOM 722 C ALA A 50 -4.405 2.436 -28.247 1.00 12.03 C ATOM 723 O ALA A 50 -5.410 2.985 -27.807 1.00 12.24 O ATOM 724 CB ALA A 50 -4.412 0.324 -29.612 1.00 12.12 C ATOM 0 H ALA A 50 -2.564 1.572 -30.676 1.00 72.03 H new ATOM 0 HA ALA A 50 -5.259 2.186 -30.196 1.00 51.03 H new ATOM 0 HB1 ALA A 50 -5.312 -0.004 -29.091 1.00 12.12 H new ATOM 0 HB2 ALA A 50 -4.418 -0.068 -30.629 1.00 12.12 H new ATOM 0 HB3 ALA A 50 -3.533 -0.047 -29.085 1.00 12.12 H new ATOM 730 N ALA A 51 -3.264 2.349 -27.570 1.00 52.32 N ATOM 731 CA ALA A 51 -3.101 2.915 -26.236 1.00 4.44 C ATOM 732 C ALA A 51 -3.196 4.437 -26.280 1.00 42.22 C ATOM 733 O ALA A 51 -3.565 5.075 -25.297 1.00 11.11 O ATOM 734 CB ALA A 51 -1.780 2.474 -25.634 1.00 13.05 C ATOM 0 H ALA A 51 -2.429 1.886 -27.929 1.00 52.32 H new ATOM 0 HA ALA A 51 -3.908 2.546 -25.603 1.00 4.44 H new ATOM 0 HB1 ALA A 51 -1.672 2.904 -24.638 1.00 13.05 H new ATOM 0 HB2 ALA A 51 -1.757 1.387 -25.564 1.00 13.05 H new ATOM 0 HB3 ALA A 51 -0.960 2.814 -26.267 1.00 13.05 H new ATOM 740 N CYS A 52 -2.777 5.027 -27.394 1.00 32.44 N ATOM 741 CA CYS A 52 -3.021 6.453 -27.631 1.00 51.42 C ATOM 742 C CYS A 52 -4.525 6.736 -27.595 1.00 23.32 C ATOM 743 O CYS A 52 -4.984 7.637 -26.888 1.00 3.22 O ATOM 744 CB CYS A 52 -2.425 6.895 -28.974 1.00 61.32 C ATOM 745 SG CYS A 52 -2.660 8.644 -29.355 1.00 33.32 S ATOM 0 H CYS A 52 -2.272 4.551 -28.142 1.00 32.44 H new ATOM 0 HA CYS A 52 -2.532 7.024 -26.842 1.00 51.42 H new ATOM 0 HB2 CYS A 52 -1.357 6.676 -28.973 1.00 61.32 H new ATOM 0 HB3 CYS A 52 -2.872 6.299 -29.770 1.00 61.32 H new ATOM 0 HG CYS A 52 -2.059 9.368 -28.458 1.00 33.32 H new ATOM 751 N LEU A 53 -5.285 5.926 -28.330 1.00 43.35 N ATOM 752 CA LEU A 53 -6.733 6.072 -28.400 1.00 74.32 C ATOM 753 C LEU A 53 -7.372 5.733 -27.050 1.00 2.01 C ATOM 754 O LEU A 53 -8.445 6.236 -26.713 1.00 41.12 O ATOM 755 CB LEU A 53 -7.310 5.169 -29.506 1.00 44.01 C ATOM 756 CG LEU A 53 -6.754 5.409 -30.927 1.00 62.22 C ATOM 757 CD1 LEU A 53 -7.491 4.547 -31.951 1.00 70.12 C ATOM 758 CD2 LEU A 53 -6.837 6.889 -31.301 1.00 15.11 C ATOM 0 H LEU A 53 -4.916 5.157 -28.889 1.00 43.35 H new ATOM 0 HA LEU A 53 -6.964 7.110 -28.641 1.00 74.32 H new ATOM 0 HB2 LEU A 53 -7.124 4.130 -29.234 1.00 44.01 H new ATOM 0 HB3 LEU A 53 -8.391 5.304 -29.532 1.00 44.01 H new ATOM 0 HG LEU A 53 -5.704 5.118 -30.933 1.00 62.22 H new ATOM 0 HD11 LEU A 53 -7.083 4.733 -32.944 1.00 70.12 H new ATOM 0 HD12 LEU A 53 -7.365 3.494 -31.698 1.00 70.12 H new ATOM 0 HD13 LEU A 53 -8.552 4.798 -31.942 1.00 70.12 H new ATOM 0 HD21 LEU A 53 -6.440 7.033 -32.306 1.00 15.11 H new ATOM 0 HD22 LEU A 53 -7.877 7.214 -31.272 1.00 15.11 H new ATOM 0 HD23 LEU A 53 -6.253 7.477 -30.592 1.00 15.11 H new ATOM 770 N GLU A 54 -6.702 4.881 -26.280 1.00 54.41 N ATOM 771 CA GLU A 54 -7.203 4.478 -24.971 1.00 14.33 C ATOM 772 C GLU A 54 -6.981 5.568 -23.922 1.00 52.22 C ATOM 773 O GLU A 54 -7.819 5.755 -23.056 1.00 22.30 O ATOM 774 CB GLU A 54 -6.569 3.158 -24.519 1.00 0.25 C ATOM 775 CG GLU A 54 -6.980 1.965 -25.377 1.00 41.53 C ATOM 776 CD GLU A 54 -6.480 0.641 -24.829 1.00 73.12 C ATOM 777 OE1 GLU A 54 -7.061 0.149 -23.840 1.00 55.44 O ATOM 778 OE2 GLU A 54 -5.512 0.079 -25.384 1.00 65.32 O ATOM 0 H GLU A 54 -5.812 4.457 -26.540 1.00 54.41 H new ATOM 0 HA GLU A 54 -8.278 4.326 -25.070 1.00 14.33 H new ATOM 0 HB2 GLU A 54 -5.484 3.257 -24.543 1.00 0.25 H new ATOM 0 HB3 GLU A 54 -6.848 2.965 -23.483 1.00 0.25 H new ATOM 0 HG2 GLU A 54 -8.067 1.934 -25.450 1.00 41.53 H new ATOM 0 HG3 GLU A 54 -6.596 2.102 -26.388 1.00 41.53 H new ATOM 785 N TYR A 55 -5.858 6.285 -23.993 1.00 63.34 N ATOM 786 CA TYR A 55 -5.592 7.374 -23.041 1.00 53.30 C ATOM 787 C TYR A 55 -6.653 8.470 -23.159 1.00 12.43 C ATOM 788 O TYR A 55 -7.221 8.911 -22.152 1.00 25.40 O ATOM 789 CB TYR A 55 -4.164 7.941 -23.229 1.00 54.33 C ATOM 790 CG TYR A 55 -4.006 9.423 -22.909 1.00 33.53 C ATOM 791 CD1 TYR A 55 -4.016 9.883 -21.593 1.00 42.04 C ATOM 792 CD2 TYR A 55 -3.836 10.360 -23.927 1.00 54.33 C ATOM 793 CE1 TYR A 55 -3.865 11.231 -21.305 1.00 5.14 C ATOM 794 CE2 TYR A 55 -3.685 11.706 -23.646 1.00 14.43 C ATOM 795 CZ TYR A 55 -3.701 12.137 -22.336 1.00 71.24 C ATOM 796 OH TYR A 55 -3.552 13.482 -22.056 1.00 1.32 O ATOM 0 H TYR A 55 -5.126 6.138 -24.687 1.00 63.34 H new ATOM 0 HA TYR A 55 -5.649 6.966 -22.032 1.00 53.30 H new ATOM 0 HB2 TYR A 55 -3.480 7.375 -22.598 1.00 54.33 H new ATOM 0 HB3 TYR A 55 -3.857 7.774 -24.262 1.00 54.33 H new ATOM 0 HD1 TYR A 55 -4.143 9.178 -20.785 1.00 42.04 H new ATOM 0 HD2 TYR A 55 -3.822 10.029 -24.955 1.00 54.33 H new ATOM 0 HE1 TYR A 55 -3.875 11.571 -20.280 1.00 5.14 H new ATOM 0 HE2 TYR A 55 -3.555 12.416 -24.449 1.00 14.43 H new ATOM 0 HH TYR A 55 -3.011 13.590 -21.246 1.00 1.32 H new ATOM 806 N ILE A 56 -6.942 8.893 -24.386 1.00 72.14 N ATOM 807 CA ILE A 56 -7.933 9.939 -24.612 1.00 54.34 C ATOM 808 C ILE A 56 -9.326 9.480 -24.164 1.00 35.30 C ATOM 809 O ILE A 56 -10.061 10.239 -23.528 1.00 14.25 O ATOM 810 CB ILE A 56 -7.967 10.399 -26.098 1.00 50.34 C ATOM 811 CG1 ILE A 56 -9.066 11.455 -26.316 1.00 13.53 C ATOM 812 CG2 ILE A 56 -8.166 9.212 -27.034 1.00 54.41 C ATOM 813 CD1 ILE A 56 -9.129 12.000 -27.731 1.00 32.34 C ATOM 0 H ILE A 56 -6.507 8.530 -25.234 1.00 72.14 H new ATOM 0 HA ILE A 56 -7.635 10.796 -24.008 1.00 54.34 H new ATOM 0 HB ILE A 56 -7.004 10.854 -26.332 1.00 50.34 H new ATOM 0 HG12 ILE A 56 -10.031 11.017 -26.064 1.00 13.53 H new ATOM 0 HG13 ILE A 56 -8.902 12.283 -25.626 1.00 13.53 H new ATOM 0 HG21 ILE A 56 -8.186 9.562 -28.066 1.00 54.41 H new ATOM 0 HG22 ILE A 56 -7.345 8.506 -26.906 1.00 54.41 H new ATOM 0 HG23 ILE A 56 -9.109 8.718 -26.800 1.00 54.41 H new ATOM 0 HD11 ILE A 56 -9.928 12.738 -27.802 1.00 32.34 H new ATOM 0 HD12 ILE A 56 -8.178 12.470 -27.983 1.00 32.34 H new ATOM 0 HD13 ILE A 56 -9.326 11.184 -28.427 1.00 32.34 H new ATOM 825 N GLU A 57 -9.670 8.228 -24.471 1.00 31.32 N ATOM 826 CA GLU A 57 -10.981 7.679 -24.121 1.00 13.01 C ATOM 827 C GLU A 57 -11.080 7.398 -22.620 1.00 51.21 C ATOM 828 O GLU A 57 -12.143 7.548 -22.021 1.00 71.31 O ATOM 829 CB GLU A 57 -11.264 6.400 -24.922 1.00 52.35 C ATOM 830 CG GLU A 57 -12.629 5.773 -24.628 1.00 14.33 C ATOM 831 CD GLU A 57 -13.793 6.719 -24.918 1.00 72.01 C ATOM 832 OE1 GLU A 57 -14.191 7.489 -24.010 1.00 53.13 O ATOM 833 OE2 GLU A 57 -14.309 6.699 -26.052 1.00 43.21 O ATOM 0 H GLU A 57 -9.059 7.575 -24.961 1.00 31.32 H new ATOM 0 HA GLU A 57 -11.733 8.425 -24.377 1.00 13.01 H new ATOM 0 HB2 GLU A 57 -11.202 6.628 -25.986 1.00 52.35 H new ATOM 0 HB3 GLU A 57 -10.485 5.668 -24.707 1.00 52.35 H new ATOM 0 HG2 GLU A 57 -12.744 4.869 -25.226 1.00 14.33 H new ATOM 0 HG3 GLU A 57 -12.666 5.470 -23.582 1.00 14.33 H new ATOM 840 N GLU A 58 -9.970 6.996 -22.011 1.00 12.22 N ATOM 841 CA GLU A 58 -9.938 6.722 -20.575 1.00 60.15 C ATOM 842 C GLU A 58 -10.211 8.011 -19.805 1.00 33.10 C ATOM 843 O GLU A 58 -10.703 7.990 -18.672 1.00 31.32 O ATOM 844 CB GLU A 58 -8.577 6.126 -20.167 1.00 74.11 C ATOM 845 CG GLU A 58 -8.513 5.644 -18.720 1.00 63.14 C ATOM 846 CD GLU A 58 -9.543 4.565 -18.411 1.00 0.13 C ATOM 847 OE1 GLU A 58 -9.255 3.372 -18.641 1.00 52.44 O ATOM 848 OE2 GLU A 58 -10.649 4.906 -17.944 1.00 74.42 O ATOM 0 H GLU A 58 -9.080 6.852 -22.487 1.00 12.22 H new ATOM 0 HA GLU A 58 -10.711 5.992 -20.334 1.00 60.15 H new ATOM 0 HB2 GLU A 58 -8.347 5.290 -20.827 1.00 74.11 H new ATOM 0 HB3 GLU A 58 -7.803 6.877 -20.322 1.00 74.11 H new ATOM 0 HG2 GLU A 58 -7.515 5.257 -18.515 1.00 63.14 H new ATOM 0 HG3 GLU A 58 -8.670 6.491 -18.052 1.00 63.14 H new ATOM 855 N HIS A 59 -9.897 9.135 -20.452 1.00 11.51 N ATOM 856 CA HIS A 59 -10.156 10.463 -19.905 1.00 45.14 C ATOM 857 C HIS A 59 -9.367 10.680 -18.617 1.00 52.43 C ATOM 858 O HIS A 59 -9.884 11.248 -17.653 1.00 13.30 O ATOM 859 CB HIS A 59 -11.665 10.675 -19.655 1.00 40.10 C ATOM 860 CG HIS A 59 -12.534 10.415 -20.856 1.00 63.15 C ATOM 861 ND1 HIS A 59 -12.224 10.855 -22.123 1.00 32.20 N ATOM 862 CD2 HIS A 59 -13.698 9.728 -20.979 1.00 71.52 C ATOM 863 CE1 HIS A 59 -13.155 10.453 -22.968 1.00 40.20 C ATOM 864 NE2 HIS A 59 -14.063 9.763 -22.306 1.00 25.42 N ATOM 0 H HIS A 59 -9.455 9.147 -21.371 1.00 11.51 H new ATOM 0 HA HIS A 59 -9.827 11.197 -20.640 1.00 45.14 H new ATOM 0 HB2 HIS A 59 -11.982 10.021 -18.843 1.00 40.10 H new ATOM 0 HB3 HIS A 59 -11.825 11.700 -19.320 1.00 40.10 H new ATOM 0 HD1 HIS A 59 -11.402 11.406 -22.370 1.00 32.20 H new ATOM 0 HD2 HIS A 59 -14.240 9.242 -20.181 1.00 71.52 H new ATOM 0 HE1 HIS A 59 -13.171 10.656 -24.029 1.00 40.20 H new ATOM 873 N TRP A 60 -8.115 10.224 -18.606 1.00 72.13 N ATOM 874 CA TRP A 60 -7.235 10.443 -17.464 1.00 71.34 C ATOM 875 C TRP A 60 -7.075 11.948 -17.232 1.00 40.15 C ATOM 876 O TRP A 60 -6.788 12.692 -18.173 1.00 70.12 O ATOM 877 CB TRP A 60 -5.863 9.778 -17.690 1.00 31.04 C ATOM 878 CG TRP A 60 -4.978 9.814 -16.469 1.00 11.01 C ATOM 879 CD1 TRP A 60 -4.201 10.856 -16.049 1.00 44.10 C ATOM 880 CD2 TRP A 60 -4.786 8.762 -15.512 1.00 62.15 C ATOM 881 NE1 TRP A 60 -3.548 10.521 -14.889 1.00 64.53 N ATOM 882 CE2 TRP A 60 -3.886 9.241 -14.542 1.00 60.21 C ATOM 883 CE3 TRP A 60 -5.287 7.463 -15.380 1.00 74.23 C ATOM 884 CZ2 TRP A 60 -3.480 8.469 -13.458 1.00 64.01 C ATOM 885 CZ3 TRP A 60 -4.879 6.697 -14.303 1.00 24.12 C ATOM 886 CH2 TRP A 60 -3.984 7.204 -13.355 1.00 3.21 C ATOM 0 H TRP A 60 -7.690 9.703 -19.373 1.00 72.13 H new ATOM 0 HA TRP A 60 -7.680 9.987 -16.579 1.00 71.34 H new ATOM 0 HB2 TRP A 60 -6.014 8.741 -17.991 1.00 31.04 H new ATOM 0 HB3 TRP A 60 -5.355 10.279 -18.514 1.00 31.04 H new ATOM 0 HD1 TRP A 60 -4.113 11.806 -16.556 1.00 44.10 H new ATOM 0 HE1 TRP A 60 -2.914 11.128 -14.370 1.00 64.53 H new ATOM 0 HE3 TRP A 60 -5.980 7.065 -16.106 1.00 74.23 H new ATOM 0 HZ2 TRP A 60 -2.790 8.857 -12.723 1.00 64.01 H new ATOM 0 HZ3 TRP A 60 -5.257 5.692 -14.192 1.00 24.12 H new ATOM 0 HH2 TRP A 60 -3.685 6.582 -12.524 1.00 3.21 H new ATOM 897 N PRO A 61 -7.291 12.420 -15.988 1.00 53.15 N ATOM 898 CA PRO A 61 -7.247 13.851 -15.665 1.00 60.42 C ATOM 899 C PRO A 61 -5.917 14.514 -16.044 1.00 63.32 C ATOM 900 O PRO A 61 -4.952 14.489 -15.274 1.00 74.04 O ATOM 901 CB PRO A 61 -7.466 13.891 -14.142 1.00 23.13 C ATOM 902 CG PRO A 61 -8.155 12.606 -13.823 1.00 54.12 C ATOM 903 CD PRO A 61 -7.609 11.599 -14.800 1.00 12.01 C ATOM 0 HA PRO A 61 -7.996 14.408 -16.228 1.00 60.42 H new ATOM 0 HB2 PRO A 61 -6.519 13.976 -13.608 1.00 23.13 H new ATOM 0 HB3 PRO A 61 -8.073 14.748 -13.852 1.00 23.13 H new ATOM 0 HG2 PRO A 61 -7.959 12.301 -12.795 1.00 54.12 H new ATOM 0 HG3 PRO A 61 -9.236 12.705 -13.925 1.00 54.12 H new ATOM 0 HD2 PRO A 61 -6.724 11.097 -14.409 1.00 12.01 H new ATOM 0 HD3 PRO A 61 -8.340 10.824 -15.030 1.00 12.01 H new ATOM 911 N ASP A 62 -5.864 15.071 -17.251 1.00 32.11 N ATOM 912 CA ASP A 62 -4.728 15.879 -17.681 1.00 14.31 C ATOM 913 C ASP A 62 -4.956 17.315 -17.207 1.00 34.34 C ATOM 914 O ASP A 62 -6.005 17.901 -17.474 1.00 74.44 O ATOM 915 CB ASP A 62 -4.570 15.832 -19.215 1.00 44.51 C ATOM 916 CG ASP A 62 -3.221 16.363 -19.702 1.00 24.42 C ATOM 917 OD1 ASP A 62 -2.791 17.442 -19.238 1.00 61.41 O ATOM 918 OD2 ASP A 62 -2.580 15.699 -20.555 1.00 14.01 O ATOM 0 H ASP A 62 -6.599 14.976 -17.952 1.00 32.11 H new ATOM 0 HA ASP A 62 -3.809 15.484 -17.247 1.00 14.31 H new ATOM 0 HB2 ASP A 62 -4.691 14.803 -19.554 1.00 44.51 H new ATOM 0 HB3 ASP A 62 -5.369 16.415 -19.673 1.00 44.51 H new ATOM 923 N ILE A 63 -3.982 17.873 -16.493 1.00 0.00 N ATOM 924 CA ILE A 63 -4.136 19.193 -15.873 1.00 44.50 C ATOM 925 C ILE A 63 -3.949 20.333 -16.885 1.00 32.32 C ATOM 926 O ILE A 63 -3.965 21.512 -16.518 1.00 13.12 O ATOM 927 CB ILE A 63 -3.172 19.402 -14.670 1.00 41.40 C ATOM 928 CG1 ILE A 63 -1.687 19.386 -15.098 1.00 23.02 C ATOM 929 CG2 ILE A 63 -3.433 18.348 -13.594 1.00 3.52 C ATOM 930 CD1 ILE A 63 -1.138 18.014 -15.440 1.00 43.03 C ATOM 0 H ILE A 63 -3.076 17.434 -16.327 1.00 0.00 H new ATOM 0 HA ILE A 63 -5.160 19.221 -15.500 1.00 44.50 H new ATOM 0 HB ILE A 63 -3.374 20.391 -14.259 1.00 41.40 H new ATOM 0 HG12 ILE A 63 -1.566 20.036 -15.964 1.00 23.02 H new ATOM 0 HG13 ILE A 63 -1.087 19.812 -14.294 1.00 23.02 H new ATOM 0 HG21 ILE A 63 -2.752 18.505 -12.758 1.00 3.52 H new ATOM 0 HG22 ILE A 63 -4.462 18.432 -13.245 1.00 3.52 H new ATOM 0 HG23 ILE A 63 -3.271 17.354 -14.011 1.00 3.52 H new ATOM 0 HD11 ILE A 63 -0.091 18.103 -15.728 1.00 43.03 H new ATOM 0 HD12 ILE A 63 -1.221 17.362 -14.571 1.00 43.03 H new ATOM 0 HD13 ILE A 63 -1.707 17.590 -16.267 1.00 43.03 H new ATOM 942 N ARG A 64 -3.762 19.982 -18.154 1.00 63.13 N ATOM 943 CA ARG A 64 -3.717 20.971 -19.232 1.00 42.30 C ATOM 944 C ARG A 64 -5.118 21.149 -19.817 1.00 24.20 C ATOM 945 O ARG A 64 -5.855 20.173 -19.947 1.00 71.42 O ATOM 946 CB ARG A 64 -2.732 20.520 -20.332 1.00 5.01 C ATOM 947 CG ARG A 64 -2.731 21.411 -21.577 1.00 72.23 C ATOM 948 CD ARG A 64 -1.673 20.999 -22.598 1.00 23.51 C ATOM 949 NE ARG A 64 -1.812 21.759 -23.844 1.00 24.12 N ATOM 950 CZ ARG A 64 -0.797 22.172 -24.605 1.00 51.34 C ATOM 951 NH1 ARG A 64 0.458 21.908 -24.267 1.00 21.41 N ATOM 952 NH2 ARG A 64 -1.047 22.856 -25.713 1.00 1.45 N ATOM 0 H ARG A 64 -3.639 19.018 -18.464 1.00 63.13 H new ATOM 0 HA ARG A 64 -3.371 21.924 -18.831 1.00 42.30 H new ATOM 0 HB2 ARG A 64 -1.725 20.496 -19.915 1.00 5.01 H new ATOM 0 HB3 ARG A 64 -2.978 19.500 -20.629 1.00 5.01 H new ATOM 0 HG2 ARG A 64 -3.715 21.375 -22.045 1.00 72.23 H new ATOM 0 HG3 ARG A 64 -2.558 22.445 -21.278 1.00 72.23 H new ATOM 0 HD2 ARG A 64 -0.679 21.160 -22.180 1.00 23.51 H new ATOM 0 HD3 ARG A 64 -1.762 19.933 -22.808 1.00 23.51 H new ATOM 0 HE ARG A 64 -2.757 21.990 -24.153 1.00 24.12 H new ATOM 0 HH11 ARG A 64 0.657 21.383 -23.416 1.00 21.41 H new ATOM 0 HH12 ARG A 64 1.224 22.230 -24.859 1.00 21.41 H new ATOM 0 HH21 ARG A 64 -2.010 23.063 -25.978 1.00 1.45 H new ATOM 0 HH22 ARG A 64 -0.276 23.175 -26.300 1.00 1.45 H new ATOM 966 N PRO A 65 -5.517 22.391 -20.176 1.00 13.42 N ATOM 967 CA PRO A 65 -6.820 22.657 -20.829 1.00 21.15 C ATOM 968 C PRO A 65 -6.887 22.105 -22.268 1.00 52.11 C ATOM 969 O PRO A 65 -7.548 22.679 -23.142 1.00 62.12 O ATOM 970 CB PRO A 65 -6.908 24.194 -20.816 1.00 31.52 C ATOM 971 CG PRO A 65 -5.491 24.659 -20.765 1.00 32.30 C ATOM 972 CD PRO A 65 -4.754 23.638 -19.943 1.00 31.11 C ATOM 0 HA PRO A 65 -7.647 22.167 -20.315 1.00 21.15 H new ATOM 0 HB2 PRO A 65 -7.415 24.568 -21.705 1.00 31.52 H new ATOM 0 HB3 PRO A 65 -7.472 24.550 -19.954 1.00 31.52 H new ATOM 0 HG2 PRO A 65 -5.068 24.734 -21.767 1.00 32.30 H new ATOM 0 HG3 PRO A 65 -5.420 25.649 -20.314 1.00 32.30 H new ATOM 0 HD2 PRO A 65 -3.716 23.539 -20.262 1.00 31.11 H new ATOM 0 HD3 PRO A 65 -4.739 23.908 -18.887 1.00 31.11 H new ATOM 980 N LYS A 66 -6.229 20.970 -22.487 1.00 32.35 N ATOM 981 CA LYS A 66 -6.170 20.315 -23.781 1.00 12.54 C ATOM 982 C LYS A 66 -7.507 19.642 -24.088 1.00 64.54 C ATOM 983 O LYS A 66 -7.808 18.566 -23.569 1.00 64.34 O ATOM 984 CB LYS A 66 -5.027 19.289 -23.757 1.00 13.42 C ATOM 985 CG LYS A 66 -4.928 18.391 -24.985 1.00 20.12 C ATOM 986 CD LYS A 66 -3.798 17.372 -24.833 1.00 14.20 C ATOM 987 CE LYS A 66 -3.950 16.534 -23.563 1.00 34.20 C ATOM 988 NZ LYS A 66 -2.799 15.616 -23.352 1.00 63.22 N ATOM 0 H LYS A 66 -5.716 20.476 -21.757 1.00 32.35 H new ATOM 0 HA LYS A 66 -5.979 21.046 -24.567 1.00 12.54 H new ATOM 0 HB2 LYS A 66 -4.084 19.824 -23.642 1.00 13.42 H new ATOM 0 HB3 LYS A 66 -5.146 18.659 -22.876 1.00 13.42 H new ATOM 0 HG2 LYS A 66 -5.874 17.870 -25.135 1.00 20.12 H new ATOM 0 HG3 LYS A 66 -4.755 19.001 -25.872 1.00 20.12 H new ATOM 0 HD2 LYS A 66 -3.784 16.714 -25.702 1.00 14.20 H new ATOM 0 HD3 LYS A 66 -2.841 17.893 -24.812 1.00 14.20 H new ATOM 0 HE2 LYS A 66 -4.046 17.196 -22.703 1.00 34.20 H new ATOM 0 HE3 LYS A 66 -4.870 15.952 -23.622 1.00 34.20 H new ATOM 0 HZ1 LYS A 66 -2.962 15.045 -22.498 1.00 63.22 H new ATOM 0 HZ2 LYS A 66 -2.700 14.988 -24.175 1.00 63.22 H new ATOM 0 HZ3 LYS A 66 -1.928 16.172 -23.235 1.00 63.22 H new ATOM 1002 N SER A 67 -8.319 20.307 -24.896 1.00 62.31 N ATOM 1003 CA SER A 67 -9.629 19.793 -25.266 1.00 54.23 C ATOM 1004 C SER A 67 -9.483 18.600 -26.215 1.00 53.41 C ATOM 1005 O SER A 67 -8.569 18.569 -27.039 1.00 22.22 O ATOM 1006 CB SER A 67 -10.449 20.912 -25.916 1.00 60.21 C ATOM 1007 OG SER A 67 -10.433 22.081 -25.107 1.00 72.44 O ATOM 0 H SER A 67 -8.091 21.211 -25.311 1.00 62.31 H new ATOM 0 HA SER A 67 -10.150 19.448 -24.373 1.00 54.23 H new ATOM 0 HB2 SER A 67 -10.044 21.140 -26.902 1.00 60.21 H new ATOM 0 HB3 SER A 67 -11.476 20.579 -26.062 1.00 60.21 H new ATOM 0 HG SER A 67 -11.353 22.367 -24.927 1.00 72.44 H new ATOM 1013 N LEU A 68 -10.375 17.617 -26.078 1.00 64.11 N ATOM 1014 CA LEU A 68 -10.347 16.425 -26.923 1.00 43.11 C ATOM 1015 C LEU A 68 -10.607 16.816 -28.378 1.00 71.30 C ATOM 1016 O LEU A 68 -9.688 16.853 -29.195 1.00 53.54 O ATOM 1017 CB LEU A 68 -11.393 15.401 -26.447 1.00 3.52 C ATOM 1018 CG LEU A 68 -11.330 15.038 -24.953 1.00 74.14 C ATOM 1019 CD1 LEU A 68 -12.384 13.988 -24.608 1.00 65.05 C ATOM 1020 CD2 LEU A 68 -9.930 14.560 -24.563 1.00 63.42 C ATOM 0 H LEU A 68 -11.126 17.625 -25.388 1.00 64.11 H new ATOM 0 HA LEU A 68 -9.362 15.964 -26.850 1.00 43.11 H new ATOM 0 HB2 LEU A 68 -12.386 15.793 -26.667 1.00 3.52 H new ATOM 0 HB3 LEU A 68 -11.274 14.488 -27.031 1.00 3.52 H new ATOM 0 HG LEU A 68 -11.547 15.937 -24.376 1.00 74.14 H new ATOM 0 HD11 LEU A 68 -12.322 13.745 -23.547 1.00 65.05 H new ATOM 0 HD12 LEU A 68 -13.376 14.380 -24.834 1.00 65.05 H new ATOM 0 HD13 LEU A 68 -12.207 13.088 -25.197 1.00 65.05 H new ATOM 0 HD21 LEU A 68 -9.913 14.310 -23.502 1.00 63.42 H new ATOM 0 HD22 LEU A 68 -9.671 13.678 -25.148 1.00 63.42 H new ATOM 0 HD23 LEU A 68 -9.207 15.351 -24.761 1.00 63.42 H new ATOM 1032 N ARG A 69 -11.868 17.131 -28.672 1.00 72.54 N ATOM 1033 CA ARG A 69 -12.288 17.607 -29.991 1.00 51.11 C ATOM 1034 C ARG A 69 -13.803 17.778 -29.991 1.00 31.31 C ATOM 1035 O ARG A 69 -14.315 18.895 -30.082 1.00 25.43 O ATOM 1036 CB ARG A 69 -11.840 16.642 -31.111 1.00 23.24 C ATOM 1037 CG ARG A 69 -11.981 17.214 -32.529 1.00 3.32 C ATOM 1038 CD ARG A 69 -13.300 16.823 -33.200 1.00 63.15 C ATOM 1039 NE ARG A 69 -13.074 15.983 -34.379 1.00 63.40 N ATOM 1040 CZ ARG A 69 -14.031 15.586 -35.220 1.00 21.44 C ATOM 1041 NH1 ARG A 69 -15.308 15.845 -34.963 1.00 44.15 N ATOM 1042 NH2 ARG A 69 -13.709 14.886 -36.298 1.00 11.13 N ATOM 0 H ARG A 69 -12.631 17.063 -27.999 1.00 72.54 H new ATOM 0 HA ARG A 69 -11.811 18.566 -30.193 1.00 51.11 H new ATOM 0 HB2 ARG A 69 -10.798 16.368 -30.944 1.00 23.24 H new ATOM 0 HB3 ARG A 69 -12.426 15.725 -31.041 1.00 23.24 H new ATOM 0 HG2 ARG A 69 -11.909 18.301 -32.486 1.00 3.32 H new ATOM 0 HG3 ARG A 69 -11.150 16.864 -33.141 1.00 3.32 H new ATOM 0 HD2 ARG A 69 -13.928 16.289 -32.487 1.00 63.15 H new ATOM 0 HD3 ARG A 69 -13.842 17.723 -33.491 1.00 63.15 H new ATOM 0 HE ARG A 69 -12.119 15.681 -34.570 1.00 63.40 H new ATOM 0 HH11 ARG A 69 -15.565 16.352 -34.116 1.00 44.15 H new ATOM 0 HH12 ARG A 69 -16.032 15.537 -35.613 1.00 44.15 H new ATOM 0 HH21 ARG A 69 -12.733 14.653 -36.482 1.00 11.13 H new ATOM 0 HH22 ARG A 69 -14.437 14.580 -36.944 1.00 11.13 H new ATOM 1056 N ASP A 70 -14.516 16.666 -29.858 1.00 3.11 N ATOM 1057 CA ASP A 70 -15.970 16.692 -29.749 1.00 55.45 C ATOM 1058 C ASP A 70 -16.373 16.761 -28.282 1.00 61.12 C ATOM 1059 O ASP A 70 -16.470 15.737 -27.602 1.00 62.15 O ATOM 1060 CB ASP A 70 -16.597 15.461 -30.408 1.00 35.03 C ATOM 1061 CG ASP A 70 -16.299 15.373 -31.895 1.00 22.05 C ATOM 1062 OD1 ASP A 70 -16.843 16.194 -32.668 1.00 32.01 O ATOM 1063 OD2 ASP A 70 -15.519 14.491 -32.298 1.00 72.12 O ATOM 0 H ASP A 70 -14.109 15.731 -29.823 1.00 3.11 H new ATOM 0 HA ASP A 70 -16.337 17.576 -30.270 1.00 55.45 H new ATOM 0 HB2 ASP A 70 -16.227 14.562 -29.914 1.00 35.03 H new ATOM 0 HB3 ASP A 70 -17.677 15.485 -30.259 1.00 35.03 H new ATOM 1068 N LYS A 71 -16.558 17.977 -27.788 1.00 32.23 N ATOM 1069 CA LYS A 71 -16.965 18.194 -26.407 1.00 5.13 C ATOM 1070 C LYS A 71 -18.378 17.648 -26.204 1.00 53.24 C ATOM 1071 O LYS A 71 -18.649 16.916 -25.252 1.00 70.21 O ATOM 1072 CB LYS A 71 -16.890 19.699 -26.075 1.00 1.23 C ATOM 1073 CG LYS A 71 -16.763 20.029 -24.583 1.00 12.31 C ATOM 1074 CD LYS A 71 -18.034 19.713 -23.793 1.00 64.40 C ATOM 1075 CE LYS A 71 -17.882 20.044 -22.312 1.00 71.42 C ATOM 1076 NZ LYS A 71 -17.551 21.477 -22.097 1.00 55.15 N ATOM 0 H LYS A 71 -16.432 18.834 -28.327 1.00 32.23 H new ATOM 0 HA LYS A 71 -16.293 17.666 -25.731 1.00 5.13 H new ATOM 0 HB2 LYS A 71 -16.038 20.129 -26.601 1.00 1.23 H new ATOM 0 HB3 LYS A 71 -17.784 20.186 -26.465 1.00 1.23 H new ATOM 0 HG2 LYS A 71 -15.930 19.467 -24.161 1.00 12.31 H new ATOM 0 HG3 LYS A 71 -16.524 21.086 -24.469 1.00 12.31 H new ATOM 0 HD2 LYS A 71 -18.869 20.279 -24.207 1.00 64.40 H new ATOM 0 HD3 LYS A 71 -18.278 18.657 -23.905 1.00 64.40 H new ATOM 0 HE2 LYS A 71 -18.807 19.802 -21.789 1.00 71.42 H new ATOM 0 HE3 LYS A 71 -17.099 19.421 -21.879 1.00 71.42 H new ATOM 0 HZ1 LYS A 71 -18.160 21.866 -21.349 1.00 55.15 H new ATOM 0 HZ2 LYS A 71 -16.555 21.564 -21.812 1.00 55.15 H new ATOM 0 HZ3 LYS A 71 -17.706 22.005 -22.979 1.00 55.15 H new ATOM 1090 N LEU A 72 -19.268 17.991 -27.127 1.00 31.23 N ATOM 1091 CA LEU A 72 -20.657 17.547 -27.069 1.00 75.41 C ATOM 1092 C LEU A 72 -20.810 16.270 -27.902 1.00 62.01 C ATOM 1093 O LEU A 72 -21.729 16.136 -28.713 1.00 24.31 O ATOM 1094 CB LEU A 72 -21.593 18.671 -27.576 1.00 44.43 C ATOM 1095 CG LEU A 72 -22.950 18.800 -26.845 1.00 35.43 C ATOM 1096 CD1 LEU A 72 -23.813 17.554 -27.039 1.00 41.32 C ATOM 1097 CD2 LEU A 72 -22.729 19.078 -25.357 1.00 22.35 C ATOM 0 H LEU A 72 -19.051 18.580 -27.931 1.00 31.23 H new ATOM 0 HA LEU A 72 -20.937 17.324 -26.039 1.00 75.41 H new ATOM 0 HB2 LEU A 72 -21.066 19.621 -27.493 1.00 44.43 H new ATOM 0 HB3 LEU A 72 -21.787 18.505 -28.636 1.00 44.43 H new ATOM 0 HG LEU A 72 -23.486 19.642 -27.283 1.00 35.43 H new ATOM 0 HD11 LEU A 72 -24.758 17.680 -26.512 1.00 41.32 H new ATOM 0 HD12 LEU A 72 -24.007 17.408 -28.102 1.00 41.32 H new ATOM 0 HD13 LEU A 72 -23.290 16.684 -26.642 1.00 41.32 H new ATOM 0 HD21 LEU A 72 -23.693 19.166 -24.856 1.00 22.35 H new ATOM 0 HD22 LEU A 72 -22.164 18.258 -24.914 1.00 22.35 H new ATOM 0 HD23 LEU A 72 -22.173 20.008 -25.239 1.00 22.35 H new ATOM 1109 N ALA A 73 -19.889 15.335 -27.695 1.00 21.05 N ATOM 1110 CA ALA A 73 -19.896 14.072 -28.416 1.00 32.42 C ATOM 1111 C ALA A 73 -21.094 13.222 -28.001 1.00 24.44 C ATOM 1112 O ALA A 73 -21.054 12.520 -26.988 1.00 3.22 O ATOM 1113 CB ALA A 73 -18.591 13.325 -28.175 1.00 13.24 C ATOM 0 H ALA A 73 -19.123 15.432 -27.028 1.00 21.05 H new ATOM 0 HA ALA A 73 -19.985 14.278 -29.483 1.00 32.42 H new ATOM 0 HB1 ALA A 73 -18.606 12.381 -28.719 1.00 13.24 H new ATOM 0 HB2 ALA A 73 -17.755 13.931 -28.524 1.00 13.24 H new ATOM 0 HB3 ALA A 73 -18.476 13.128 -27.109 1.00 13.24 H new ATOM 1119 N THR A 74 -22.171 13.332 -28.767 1.00 10.11 N ATOM 1120 CA THR A 74 -23.375 12.550 -28.527 1.00 74.24 C ATOM 1121 C THR A 74 -23.198 11.115 -29.026 1.00 61.13 C ATOM 1122 O THR A 74 -23.331 10.156 -28.262 1.00 15.44 O ATOM 1123 CB THR A 74 -24.591 13.199 -29.225 1.00 41.53 C ATOM 1124 OG1 THR A 74 -24.252 13.525 -30.583 1.00 14.22 O ATOM 1125 CG2 THR A 74 -25.047 14.460 -28.492 1.00 11.04 C ATOM 0 H THR A 74 -22.234 13.962 -29.567 1.00 10.11 H new ATOM 0 HA THR A 74 -23.553 12.528 -27.452 1.00 74.24 H new ATOM 0 HB THR A 74 -25.412 12.483 -29.210 1.00 41.53 H new ATOM 0 HG1 THR A 74 -25.025 13.935 -31.024 1.00 14.22 H new ATOM 0 HG21 THR A 74 -25.904 14.892 -29.009 1.00 11.04 H new ATOM 0 HG22 THR A 74 -25.330 14.205 -27.471 1.00 11.04 H new ATOM 0 HG23 THR A 74 -24.233 15.184 -28.473 1.00 11.04 H new ATOM 1133 N GLY A 75 -22.891 10.981 -30.314 1.00 52.32 N ATOM 1134 CA GLY A 75 -22.744 9.672 -30.928 1.00 72.52 C ATOM 1135 C GLY A 75 -23.999 9.263 -31.676 1.00 42.43 C ATOM 1136 O GLY A 75 -24.889 10.088 -31.894 1.00 43.23 O ATOM 0 H GLY A 75 -22.740 11.765 -30.949 1.00 52.32 H new ATOM 0 HA2 GLY A 75 -21.898 9.684 -31.615 1.00 72.52 H new ATOM 0 HA3 GLY A 75 -22.520 8.932 -30.160 1.00 72.52 H new ATOM 1140 N ARG A 76 -24.072 7.999 -32.084 1.00 35.04 N ATOM 1141 CA ARG A 76 -25.244 7.482 -32.801 1.00 4.50 C ATOM 1142 C ARG A 76 -25.935 6.386 -31.994 1.00 12.31 C ATOM 1143 O ARG A 76 -26.586 5.499 -32.555 1.00 73.20 O ATOM 1144 CB ARG A 76 -24.833 6.952 -34.186 1.00 60.21 C ATOM 1145 CG ARG A 76 -24.396 8.034 -35.176 1.00 70.14 C ATOM 1146 CD ARG A 76 -25.541 8.981 -35.548 1.00 54.54 C ATOM 1147 NE ARG A 76 -25.894 9.899 -34.458 1.00 2.04 N ATOM 1148 CZ ARG A 76 -27.138 10.293 -34.168 1.00 41.13 C ATOM 1149 NH1 ARG A 76 -28.175 9.822 -34.849 1.00 34.14 N ATOM 1150 NH2 ARG A 76 -27.335 11.150 -33.179 1.00 60.43 N ATOM 0 H ARG A 76 -23.335 7.310 -31.932 1.00 35.04 H new ATOM 0 HA ARG A 76 -25.951 8.301 -32.936 1.00 4.50 H new ATOM 0 HB2 ARG A 76 -24.017 6.241 -34.061 1.00 60.21 H new ATOM 0 HB3 ARG A 76 -25.672 6.403 -34.614 1.00 60.21 H new ATOM 0 HG2 ARG A 76 -23.578 8.610 -34.743 1.00 70.14 H new ATOM 0 HG3 ARG A 76 -24.010 7.562 -36.080 1.00 70.14 H new ATOM 0 HD2 ARG A 76 -25.257 9.560 -36.427 1.00 54.54 H new ATOM 0 HD3 ARG A 76 -26.418 8.394 -35.822 1.00 54.54 H new ATOM 0 HE ARG A 76 -25.136 10.262 -33.881 1.00 2.04 H new ATOM 0 HH11 ARG A 76 -28.028 9.151 -35.603 1.00 34.14 H new ATOM 0 HH12 ARG A 76 -29.119 10.130 -34.618 1.00 34.14 H new ATOM 0 HH21 ARG A 76 -26.541 11.504 -32.645 1.00 60.43 H new ATOM 0 HH22 ARG A 76 -28.281 11.456 -32.950 1.00 60.43 H new ATOM 1164 N GLY A 77 -25.821 6.475 -30.674 1.00 43.11 N ATOM 1165 CA GLY A 77 -26.419 5.481 -29.798 1.00 54.42 C ATOM 1166 C GLY A 77 -25.823 4.106 -30.007 1.00 15.24 C ATOM 1167 O GLY A 77 -26.546 3.116 -30.137 1.00 61.11 O ATOM 0 H GLY A 77 -25.322 7.222 -30.191 1.00 43.11 H new ATOM 0 HA2 GLY A 77 -26.279 5.782 -28.760 1.00 54.42 H new ATOM 0 HA3 GLY A 77 -27.494 5.441 -29.976 1.00 54.42 H new ATOM 1171 N PHE A 78 -24.498 4.050 -30.060 1.00 22.23 N ATOM 1172 CA PHE A 78 -23.789 2.794 -30.286 1.00 73.44 C ATOM 1173 C PHE A 78 -23.736 1.971 -29.002 1.00 12.01 C ATOM 1174 O PHE A 78 -23.600 2.521 -27.906 1.00 2.23 O ATOM 1175 CB PHE A 78 -22.368 3.050 -30.820 1.00 60.31 C ATOM 1176 CG PHE A 78 -21.484 3.863 -29.898 1.00 23.21 C ATOM 1177 CD1 PHE A 78 -21.565 5.249 -29.876 1.00 23.21 C ATOM 1178 CD2 PHE A 78 -20.571 3.236 -29.058 1.00 25.02 C ATOM 1179 CE1 PHE A 78 -20.758 5.992 -29.036 1.00 21.11 C ATOM 1180 CE2 PHE A 78 -19.763 3.974 -28.217 1.00 31.41 C ATOM 1181 CZ PHE A 78 -19.855 5.353 -28.206 1.00 42.13 C ATOM 0 H PHE A 78 -23.890 4.862 -29.949 1.00 22.23 H new ATOM 0 HA PHE A 78 -24.337 2.228 -31.040 1.00 73.44 H new ATOM 0 HB2 PHE A 78 -21.887 2.090 -31.010 1.00 60.31 H new ATOM 0 HB3 PHE A 78 -22.442 3.565 -31.778 1.00 60.31 H new ATOM 0 HD1 PHE A 78 -22.268 5.752 -30.524 1.00 23.21 H new ATOM 0 HD2 PHE A 78 -20.493 2.159 -29.064 1.00 25.02 H new ATOM 0 HE1 PHE A 78 -20.832 7.069 -29.028 1.00 21.11 H new ATOM 0 HE2 PHE A 78 -19.059 3.474 -27.568 1.00 31.41 H new ATOM 0 HZ PHE A 78 -19.222 5.931 -27.549 1.00 42.13 H new ATOM 1191 N ASP A 79 -23.849 0.656 -29.151 1.00 52.44 N ATOM 1192 CA ASP A 79 -23.811 -0.267 -28.016 1.00 4.14 C ATOM 1193 C ASP A 79 -22.446 -0.941 -27.948 1.00 34.43 C ATOM 1194 O ASP A 79 -21.695 -0.766 -26.986 1.00 22.44 O ATOM 1195 CB ASP A 79 -24.915 -1.335 -28.130 1.00 50.33 C ATOM 1196 CG ASP A 79 -26.318 -0.746 -28.084 1.00 31.15 C ATOM 1197 OD1 ASP A 79 -26.743 -0.290 -27.003 1.00 63.52 O ATOM 1198 OD2 ASP A 79 -27.012 -0.748 -29.124 1.00 74.11 O ATOM 0 H ASP A 79 -23.969 0.199 -30.055 1.00 52.44 H new ATOM 0 HA ASP A 79 -23.984 0.305 -27.104 1.00 4.14 H new ATOM 0 HB2 ASP A 79 -24.787 -1.884 -29.063 1.00 50.33 H new ATOM 0 HB3 ASP A 79 -24.802 -2.055 -27.319 1.00 50.33 H new ATOM 1203 N GLN A 80 -22.130 -1.700 -28.990 1.00 32.33 N ATOM 1204 CA GLN A 80 -20.853 -2.390 -29.097 1.00 51.35 C ATOM 1205 C GLN A 80 -20.432 -2.436 -30.567 1.00 60.12 C ATOM 1206 O GLN A 80 -20.878 -3.345 -31.297 1.00 14.05 O ATOM 1207 CB GLN A 80 -20.955 -3.809 -28.507 1.00 42.55 C ATOM 1208 CG GLN A 80 -19.650 -4.594 -28.557 1.00 4.25 C ATOM 1209 CD GLN A 80 -19.785 -5.987 -27.963 1.00 22.13 C ATOM 1210 OE1 GLN A 80 -19.568 -6.192 -26.767 1.00 60.13 O ATOM 1211 NE2 GLN A 80 -20.159 -6.951 -28.789 1.00 63.52 N ATOM 1212 OXT GLN A 80 -19.697 -1.528 -31.002 1.00 0.00 O ATOM 0 H GLN A 80 -22.752 -1.854 -29.784 1.00 32.33 H new ATOM 0 HA GLN A 80 -20.097 -1.850 -28.527 1.00 51.35 H new ATOM 0 HB2 GLN A 80 -21.285 -3.738 -27.471 1.00 42.55 H new ATOM 0 HB3 GLN A 80 -21.722 -4.363 -29.049 1.00 42.55 H new ATOM 0 HG2 GLN A 80 -19.318 -4.675 -29.592 1.00 4.25 H new ATOM 0 HG3 GLN A 80 -18.879 -4.045 -28.016 1.00 4.25 H new ATOM 0 HE21 GLN A 80 -20.329 -6.742 -29.773 1.00 63.52 H new ATOM 0 HE22 GLN A 80 -20.277 -7.903 -28.442 1.00 63.52 H new TER 1221 GLN A 80