USER MOD reduce.3.24.130724 H: found=0, std=0, add=687, rem=0, adj=15 USER MOD reduce.3.24.130724 removed 684 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 26 MET CE :methyl 152:sc= -0.327 (180deg=-1.13) USER MOD Set 1.2: A 72 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Set 2.1: A 48 THR OG1 : rot 150:sc= -0.831 USER MOD Set 2.2: A 50 THR OG1 : rot 180:sc= 0 USER MOD Single : A 1 GLY N :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 2 SER OG : rot 180:sc= 0 USER MOD Single : A 3 SER OG : rot 180:sc= 0 USER MOD Single : A 5 SER OG : rot 180:sc= 0 USER MOD Single : A 6 SER OG : rot 180:sc= 0 USER MOD Single : A 8 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 12 TYR OH : rot 180:sc= 0 USER MOD Single : A 14 ASN : amide:sc= -0.0593 K(o=-0.059,f=-1.1!) USER MOD Single : A 15 SER OG : rot 140:sc=-0.000658 USER MOD Single : A 16 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 21 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 24 ASN : amide:sc= -2.44 K(o=-2.4,f=-6.4!) USER MOD Single : A 27 HIS : no HD1:sc= -0.598 K(o=-0.6,f=0) USER MOD Single : A 28 CYS SG : rot -90:sc= -1.39 USER MOD Single : A 31 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 33 GLN : amide:sc= -0.603 K(o=-0.6,f=-3.5!) USER MOD Single : A 35 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 36 ASN : amide:sc= -0.259 X(o=-0.26,f=-0.0073) USER MOD Single : A 37 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 42 GLN : amide:sc= 0 K(o=0,f=-0.85) USER MOD Single : A 46 MET CE :methyl -159:sc= 0 (180deg=-0.987) USER MOD Single : A 57 TYR OH : rot -177:sc= -0.717 USER MOD Single : A 66 ASN : amide:sc= -4.13 K(o=-4.1,f=-4.9!) USER MOD Single : A 69 CYS SG : rot 180:sc=-0.000715 USER MOD Single : A 76 ASN : amide:sc= -0.0452 X(o=-0.045,f=-0.0088) USER MOD Single : A 78 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 79 THR OG1 : rot 180:sc= 0 USER MOD Single : A 80 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 84 SER OG : rot 180:sc= 0 USER MOD ----------------------------------------------------------------- ATOM 1 N GLY A 1 -21.713 -0.228 -17.984 1.00 0.00 N ATOM 2 CA GLY A 1 -21.741 -0.913 -16.705 1.00 0.00 C ATOM 3 C GLY A 1 -22.228 -0.022 -15.580 1.00 0.00 C ATOM 4 O GLY A 1 -23.205 -0.342 -14.903 1.00 0.00 O ATOM 0 H1 GLY A 1 -21.373 -0.880 -18.720 1.00 0.00 H new ATOM 0 H2 GLY A 1 -22.671 0.097 -18.225 1.00 0.00 H new ATOM 0 H3 GLY A 1 -21.075 0.591 -17.925 1.00 0.00 H new ATOM 0 HA2 GLY A 1 -22.389 -1.787 -16.779 1.00 0.00 H new ATOM 0 HA3 GLY A 1 -20.741 -1.277 -16.469 1.00 0.00 H new ATOM 8 N SER A 2 -21.544 1.100 -15.378 1.00 0.00 N ATOM 9 CA SER A 2 -21.909 2.038 -14.323 1.00 0.00 C ATOM 10 C SER A 2 -21.176 3.364 -14.498 1.00 0.00 C ATOM 11 O SER A 2 -20.067 3.408 -15.031 1.00 0.00 O ATOM 12 CB SER A 2 -21.591 1.443 -12.950 1.00 0.00 C ATOM 13 OG SER A 2 -21.822 2.388 -11.919 1.00 0.00 O ATOM 0 H SER A 2 -20.734 1.381 -15.931 1.00 0.00 H new ATOM 0 HA SER A 2 -22.981 2.224 -14.391 1.00 0.00 H new ATOM 0 HB2 SER A 2 -22.206 0.559 -12.782 1.00 0.00 H new ATOM 0 HB3 SER A 2 -20.551 1.118 -12.923 1.00 0.00 H new ATOM 0 HG SER A 2 -21.613 1.983 -11.051 1.00 0.00 H new ATOM 19 N SER A 3 -21.804 4.445 -14.044 1.00 0.00 N ATOM 20 CA SER A 3 -21.213 5.774 -14.153 1.00 0.00 C ATOM 21 C SER A 3 -19.981 5.896 -13.261 1.00 0.00 C ATOM 22 O SER A 3 -19.845 5.180 -12.270 1.00 0.00 O ATOM 23 CB SER A 3 -22.240 6.843 -13.773 1.00 0.00 C ATOM 24 OG SER A 3 -22.420 6.902 -12.369 1.00 0.00 O ATOM 0 H SER A 3 -22.721 4.426 -13.598 1.00 0.00 H new ATOM 0 HA SER A 3 -20.906 5.925 -15.188 1.00 0.00 H new ATOM 0 HB2 SER A 3 -21.911 7.815 -14.142 1.00 0.00 H new ATOM 0 HB3 SER A 3 -23.192 6.624 -14.256 1.00 0.00 H new ATOM 0 HG SER A 3 -23.080 7.594 -12.153 1.00 0.00 H new ATOM 30 N GLY A 4 -19.085 6.809 -13.623 1.00 0.00 N ATOM 31 CA GLY A 4 -17.876 7.010 -12.846 1.00 0.00 C ATOM 32 C GLY A 4 -16.879 5.881 -13.024 1.00 0.00 C ATOM 33 O GLY A 4 -17.238 4.707 -12.932 1.00 0.00 O ATOM 0 H GLY A 4 -19.175 7.413 -14.440 1.00 0.00 H new ATOM 0 HA2 GLY A 4 -17.411 7.951 -13.140 1.00 0.00 H new ATOM 0 HA3 GLY A 4 -18.136 7.098 -11.791 1.00 0.00 H new ATOM 37 N SER A 5 -15.625 6.237 -13.281 1.00 0.00 N ATOM 38 CA SER A 5 -14.574 5.245 -13.478 1.00 0.00 C ATOM 39 C SER A 5 -13.532 5.330 -12.367 1.00 0.00 C ATOM 40 O SER A 5 -12.560 6.078 -12.469 1.00 0.00 O ATOM 41 CB SER A 5 -13.904 5.444 -14.839 1.00 0.00 C ATOM 42 OG SER A 5 -14.725 4.962 -15.888 1.00 0.00 O ATOM 0 H SER A 5 -15.312 7.205 -13.358 1.00 0.00 H new ATOM 0 HA SER A 5 -15.031 4.256 -13.448 1.00 0.00 H new ATOM 0 HB2 SER A 5 -13.696 6.503 -14.994 1.00 0.00 H new ATOM 0 HB3 SER A 5 -12.946 4.925 -14.855 1.00 0.00 H new ATOM 0 HG SER A 5 -14.275 5.103 -16.747 1.00 0.00 H new ATOM 48 N SER A 6 -13.742 4.556 -11.307 1.00 0.00 N ATOM 49 CA SER A 6 -12.823 4.546 -10.174 1.00 0.00 C ATOM 50 C SER A 6 -11.429 4.104 -10.609 1.00 0.00 C ATOM 51 O SER A 6 -10.455 4.837 -10.449 1.00 0.00 O ATOM 52 CB SER A 6 -13.345 3.618 -9.076 1.00 0.00 C ATOM 53 OG SER A 6 -14.573 4.091 -8.550 1.00 0.00 O ATOM 0 H SER A 6 -14.540 3.928 -11.209 1.00 0.00 H new ATOM 0 HA SER A 6 -12.757 5.561 -9.782 1.00 0.00 H new ATOM 0 HB2 SER A 6 -13.481 2.614 -9.478 1.00 0.00 H new ATOM 0 HB3 SER A 6 -12.608 3.544 -8.277 1.00 0.00 H new ATOM 0 HG SER A 6 -14.887 3.480 -7.851 1.00 0.00 H new ATOM 59 N GLY A 7 -11.343 2.897 -11.162 1.00 0.00 N ATOM 60 CA GLY A 7 -10.065 2.377 -11.611 1.00 0.00 C ATOM 61 C GLY A 7 -9.217 1.856 -10.469 1.00 0.00 C ATOM 62 O GLY A 7 -9.574 0.875 -9.818 1.00 0.00 O ATOM 0 H GLY A 7 -12.135 2.271 -11.307 1.00 0.00 H new ATOM 0 HA2 GLY A 7 -10.235 1.574 -12.329 1.00 0.00 H new ATOM 0 HA3 GLY A 7 -9.520 3.163 -12.135 1.00 0.00 H new ATOM 66 N MET A 8 -8.088 2.515 -10.224 1.00 0.00 N ATOM 67 CA MET A 8 -7.186 2.112 -9.152 1.00 0.00 C ATOM 68 C MET A 8 -7.967 1.572 -7.958 1.00 0.00 C ATOM 69 O MET A 8 -8.012 0.363 -7.730 1.00 0.00 O ATOM 70 CB MET A 8 -6.318 3.294 -8.716 1.00 0.00 C ATOM 71 CG MET A 8 -4.981 3.365 -9.436 1.00 0.00 C ATOM 72 SD MET A 8 -4.290 5.030 -9.455 1.00 0.00 S ATOM 73 CE MET A 8 -2.804 4.791 -8.484 1.00 0.00 C ATOM 0 H MET A 8 -7.777 3.330 -10.753 1.00 0.00 H new ATOM 0 HA MET A 8 -6.543 1.318 -9.532 1.00 0.00 H new ATOM 0 HB2 MET A 8 -6.865 4.220 -8.891 1.00 0.00 H new ATOM 0 HB3 MET A 8 -6.140 3.227 -7.643 1.00 0.00 H new ATOM 0 HG2 MET A 8 -4.276 2.689 -8.952 1.00 0.00 H new ATOM 0 HG3 MET A 8 -5.106 3.016 -10.461 1.00 0.00 H new ATOM 0 HE1 MET A 8 -2.265 5.735 -8.405 1.00 0.00 H new ATOM 0 HE2 MET A 8 -3.073 4.442 -7.487 1.00 0.00 H new ATOM 0 HE3 MET A 8 -2.168 4.050 -8.968 1.00 0.00 H new ATOM 83 N ILE A 9 -8.579 2.475 -7.200 1.00 0.00 N ATOM 84 CA ILE A 9 -9.359 2.088 -6.030 1.00 0.00 C ATOM 85 C ILE A 9 -10.266 0.903 -6.342 1.00 0.00 C ATOM 86 O ILE A 9 -10.306 -0.074 -5.595 1.00 0.00 O ATOM 87 CB ILE A 9 -10.219 3.257 -5.515 1.00 0.00 C ATOM 88 CG1 ILE A 9 -9.326 4.398 -5.021 1.00 0.00 C ATOM 89 CG2 ILE A 9 -11.145 2.784 -4.405 1.00 0.00 C ATOM 90 CD1 ILE A 9 -8.857 5.319 -6.126 1.00 0.00 C ATOM 0 H ILE A 9 -8.550 3.480 -7.375 1.00 0.00 H new ATOM 0 HA ILE A 9 -8.647 1.803 -5.256 1.00 0.00 H new ATOM 0 HB ILE A 9 -10.830 3.629 -6.338 1.00 0.00 H new ATOM 0 HG12 ILE A 9 -9.872 4.981 -4.280 1.00 0.00 H new ATOM 0 HG13 ILE A 9 -8.457 3.976 -4.517 1.00 0.00 H new ATOM 0 HG21 ILE A 9 -11.746 3.621 -4.051 1.00 0.00 H new ATOM 0 HG22 ILE A 9 -11.801 2.002 -4.787 1.00 0.00 H new ATOM 0 HG23 ILE A 9 -10.552 2.389 -3.580 1.00 0.00 H new ATOM 0 HD11 ILE A 9 -8.229 6.104 -5.704 1.00 0.00 H new ATOM 0 HD12 ILE A 9 -8.283 4.748 -6.856 1.00 0.00 H new ATOM 0 HD13 ILE A 9 -9.721 5.769 -6.615 1.00 0.00 H new ATOM 102 N ALA A 10 -10.991 0.996 -7.452 1.00 0.00 N ATOM 103 CA ALA A 10 -11.895 -0.071 -7.865 1.00 0.00 C ATOM 104 C ALA A 10 -11.189 -1.423 -7.856 1.00 0.00 C ATOM 105 O ALA A 10 -11.560 -2.322 -7.103 1.00 0.00 O ATOM 106 CB ALA A 10 -12.461 0.223 -9.246 1.00 0.00 C ATOM 0 H ALA A 10 -10.970 1.799 -8.081 1.00 0.00 H new ATOM 0 HA ALA A 10 -12.716 -0.116 -7.150 1.00 0.00 H new ATOM 0 HB1 ALA A 10 -13.134 -0.581 -9.542 1.00 0.00 H new ATOM 0 HB2 ALA A 10 -13.009 1.165 -9.222 1.00 0.00 H new ATOM 0 HB3 ALA A 10 -11.645 0.297 -9.965 1.00 0.00 H new ATOM 112 N ALA A 11 -10.171 -1.558 -8.699 1.00 0.00 N ATOM 113 CA ALA A 11 -9.413 -2.800 -8.788 1.00 0.00 C ATOM 114 C ALA A 11 -8.907 -3.233 -7.416 1.00 0.00 C ATOM 115 O ALA A 11 -9.242 -4.315 -6.933 1.00 0.00 O ATOM 116 CB ALA A 11 -8.249 -2.641 -9.755 1.00 0.00 C ATOM 0 H ALA A 11 -9.852 -0.823 -9.330 1.00 0.00 H new ATOM 0 HA ALA A 11 -10.079 -3.577 -9.164 1.00 0.00 H new ATOM 0 HB1 ALA A 11 -7.692 -3.576 -9.811 1.00 0.00 H new ATOM 0 HB2 ALA A 11 -8.630 -2.386 -10.744 1.00 0.00 H new ATOM 0 HB3 ALA A 11 -7.590 -1.847 -9.404 1.00 0.00 H new ATOM 122 N TYR A 12 -8.098 -2.383 -6.794 1.00 0.00 N ATOM 123 CA TYR A 12 -7.543 -2.680 -5.478 1.00 0.00 C ATOM 124 C TYR A 12 -8.618 -3.226 -4.544 1.00 0.00 C ATOM 125 O TYR A 12 -8.382 -4.175 -3.797 1.00 0.00 O ATOM 126 CB TYR A 12 -6.914 -1.424 -4.872 1.00 0.00 C ATOM 127 CG TYR A 12 -5.682 -0.948 -5.608 1.00 0.00 C ATOM 128 CD1 TYR A 12 -4.634 -1.817 -5.882 1.00 0.00 C ATOM 129 CD2 TYR A 12 -5.566 0.371 -6.028 1.00 0.00 C ATOM 130 CE1 TYR A 12 -3.506 -1.387 -6.554 1.00 0.00 C ATOM 131 CE2 TYR A 12 -4.443 0.810 -6.701 1.00 0.00 C ATOM 132 CZ TYR A 12 -3.415 -0.072 -6.961 1.00 0.00 C ATOM 133 OH TYR A 12 -2.294 0.361 -7.631 1.00 0.00 O ATOM 0 H TYR A 12 -7.812 -1.483 -7.179 1.00 0.00 H new ATOM 0 HA TYR A 12 -6.773 -3.442 -5.600 1.00 0.00 H new ATOM 0 HB2 TYR A 12 -7.654 -0.624 -4.865 1.00 0.00 H new ATOM 0 HB3 TYR A 12 -6.652 -1.624 -3.833 1.00 0.00 H new ATOM 0 HD1 TYR A 12 -4.702 -2.847 -5.564 1.00 0.00 H new ATOM 0 HD2 TYR A 12 -6.368 1.065 -5.825 1.00 0.00 H new ATOM 0 HE1 TYR A 12 -2.700 -2.076 -6.759 1.00 0.00 H new ATOM 0 HE2 TYR A 12 -4.370 1.839 -7.022 1.00 0.00 H new ATOM 0 HH TYR A 12 -2.389 1.312 -7.848 1.00 0.00 H new ATOM 143 N GLU A 13 -9.800 -2.619 -4.593 1.00 0.00 N ATOM 144 CA GLU A 13 -10.912 -3.044 -3.751 1.00 0.00 C ATOM 145 C GLU A 13 -11.330 -4.473 -4.083 1.00 0.00 C ATOM 146 O GLU A 13 -11.378 -5.336 -3.207 1.00 0.00 O ATOM 147 CB GLU A 13 -12.103 -2.099 -3.926 1.00 0.00 C ATOM 148 CG GLU A 13 -13.109 -2.172 -2.790 1.00 0.00 C ATOM 149 CD GLU A 13 -14.039 -3.364 -2.910 1.00 0.00 C ATOM 150 OE1 GLU A 13 -14.519 -3.630 -4.031 1.00 0.00 O ATOM 151 OE2 GLU A 13 -14.286 -4.030 -1.883 1.00 0.00 O ATOM 0 H GLU A 13 -10.012 -1.832 -5.206 1.00 0.00 H new ATOM 0 HA GLU A 13 -10.581 -3.012 -2.713 1.00 0.00 H new ATOM 0 HB2 GLU A 13 -11.735 -1.076 -4.010 1.00 0.00 H new ATOM 0 HB3 GLU A 13 -12.608 -2.334 -4.863 1.00 0.00 H new ATOM 0 HG2 GLU A 13 -12.576 -2.226 -1.841 1.00 0.00 H new ATOM 0 HG3 GLU A 13 -13.699 -1.256 -2.773 1.00 0.00 H new ATOM 158 N ASN A 14 -11.632 -4.716 -5.354 1.00 0.00 N ATOM 159 CA ASN A 14 -12.047 -6.040 -5.802 1.00 0.00 C ATOM 160 C ASN A 14 -11.008 -7.092 -5.426 1.00 0.00 C ATOM 161 O ASN A 14 -11.342 -8.138 -4.871 1.00 0.00 O ATOM 162 CB ASN A 14 -12.268 -6.043 -7.316 1.00 0.00 C ATOM 163 CG ASN A 14 -13.163 -7.182 -7.767 1.00 0.00 C ATOM 164 OD1 ASN A 14 -13.011 -8.319 -7.322 1.00 0.00 O ATOM 165 ND2 ASN A 14 -14.102 -6.879 -8.657 1.00 0.00 N ATOM 0 H ASN A 14 -11.597 -4.013 -6.092 1.00 0.00 H new ATOM 0 HA ASN A 14 -12.985 -6.287 -5.304 1.00 0.00 H new ATOM 0 HB2 ASN A 14 -12.712 -5.094 -7.618 1.00 0.00 H new ATOM 0 HB3 ASN A 14 -11.305 -6.119 -7.821 1.00 0.00 H new ATOM 0 HD21 ASN A 14 -14.734 -7.603 -8.999 1.00 0.00 H new ATOM 0 HD22 ASN A 14 -14.191 -5.922 -8.998 1.00 0.00 H new ATOM 172 N SER A 15 -9.747 -6.806 -5.733 1.00 0.00 N ATOM 173 CA SER A 15 -8.659 -7.728 -5.431 1.00 0.00 C ATOM 174 C SER A 15 -8.591 -8.017 -3.934 1.00 0.00 C ATOM 175 O SER A 15 -8.426 -7.108 -3.121 1.00 0.00 O ATOM 176 CB SER A 15 -7.325 -7.152 -5.911 1.00 0.00 C ATOM 177 OG SER A 15 -6.341 -8.166 -6.020 1.00 0.00 O ATOM 0 H SER A 15 -9.454 -5.943 -6.191 1.00 0.00 H new ATOM 0 HA SER A 15 -8.853 -8.663 -5.956 1.00 0.00 H new ATOM 0 HB2 SER A 15 -7.461 -6.668 -6.878 1.00 0.00 H new ATOM 0 HB3 SER A 15 -6.985 -6.385 -5.215 1.00 0.00 H new ATOM 0 HG SER A 15 -5.805 -8.016 -6.826 1.00 0.00 H new ATOM 183 N LYS A 16 -8.721 -9.291 -3.578 1.00 0.00 N ATOM 184 CA LYS A 16 -8.674 -9.703 -2.180 1.00 0.00 C ATOM 185 C LYS A 16 -7.234 -9.772 -1.681 1.00 0.00 C ATOM 186 O LYS A 16 -6.323 -10.120 -2.432 1.00 0.00 O ATOM 187 CB LYS A 16 -9.351 -11.064 -2.005 1.00 0.00 C ATOM 188 CG LYS A 16 -8.594 -12.208 -2.657 1.00 0.00 C ATOM 189 CD LYS A 16 -8.880 -13.531 -1.966 1.00 0.00 C ATOM 190 CE LYS A 16 -10.215 -14.112 -2.406 1.00 0.00 C ATOM 191 NZ LYS A 16 -10.742 -15.098 -1.423 1.00 0.00 N ATOM 0 H LYS A 16 -8.860 -10.056 -4.238 1.00 0.00 H new ATOM 0 HA LYS A 16 -9.209 -8.959 -1.590 1.00 0.00 H new ATOM 0 HB2 LYS A 16 -9.460 -11.272 -0.941 1.00 0.00 H new ATOM 0 HB3 LYS A 16 -10.355 -11.018 -2.426 1.00 0.00 H new ATOM 0 HG2 LYS A 16 -8.873 -12.278 -3.708 1.00 0.00 H new ATOM 0 HG3 LYS A 16 -7.524 -12.003 -2.624 1.00 0.00 H new ATOM 0 HD2 LYS A 16 -8.082 -14.239 -2.189 1.00 0.00 H new ATOM 0 HD3 LYS A 16 -8.884 -13.385 -0.886 1.00 0.00 H new ATOM 0 HE2 LYS A 16 -10.937 -13.306 -2.534 1.00 0.00 H new ATOM 0 HE3 LYS A 16 -10.099 -14.594 -3.377 1.00 0.00 H new ATOM 0 HZ1 LYS A 16 -11.653 -15.471 -1.759 1.00 0.00 H new ATOM 0 HZ2 LYS A 16 -10.065 -15.880 -1.319 1.00 0.00 H new ATOM 0 HZ3 LYS A 16 -10.877 -14.633 -0.503 1.00 0.00 H new ATOM 205 N TRP A 17 -7.037 -9.439 -0.411 1.00 0.00 N ATOM 206 CA TRP A 17 -5.707 -9.465 0.188 1.00 0.00 C ATOM 207 C TRP A 17 -4.980 -10.760 -0.156 1.00 0.00 C ATOM 208 O TRP A 17 -5.607 -11.759 -0.507 1.00 0.00 O ATOM 209 CB TRP A 17 -5.806 -9.310 1.707 1.00 0.00 C ATOM 210 CG TRP A 17 -4.473 -9.312 2.392 1.00 0.00 C ATOM 211 CD1 TRP A 17 -3.711 -8.223 2.704 1.00 0.00 C ATOM 212 CD2 TRP A 17 -3.746 -10.457 2.849 1.00 0.00 C ATOM 213 NE1 TRP A 17 -2.553 -8.622 3.327 1.00 0.00 N ATOM 214 CE2 TRP A 17 -2.551 -9.988 3.428 1.00 0.00 C ATOM 215 CE3 TRP A 17 -3.988 -11.833 2.826 1.00 0.00 C ATOM 216 CZ2 TRP A 17 -1.603 -10.847 3.978 1.00 0.00 C ATOM 217 CZ3 TRP A 17 -3.046 -12.685 3.372 1.00 0.00 C ATOM 218 CH2 TRP A 17 -1.866 -12.190 3.942 1.00 0.00 C ATOM 0 H TRP A 17 -7.780 -9.148 0.224 1.00 0.00 H new ATOM 0 HA TRP A 17 -5.136 -8.630 -0.219 1.00 0.00 H new ATOM 0 HB2 TRP A 17 -6.323 -8.379 1.937 1.00 0.00 H new ATOM 0 HB3 TRP A 17 -6.414 -10.120 2.109 1.00 0.00 H new ATOM 0 HD1 TRP A 17 -3.979 -7.198 2.492 1.00 0.00 H new ATOM 0 HE1 TRP A 17 -1.815 -8.002 3.660 1.00 0.00 H new ATOM 0 HE3 TRP A 17 -4.895 -12.224 2.389 1.00 0.00 H new ATOM 0 HZ2 TRP A 17 -0.692 -10.467 4.417 1.00 0.00 H new ATOM 0 HZ3 TRP A 17 -3.223 -13.750 3.359 1.00 0.00 H new ATOM 0 HH2 TRP A 17 -1.150 -12.881 4.361 1.00 0.00 H new ATOM 229 N GLU A 18 -3.655 -10.735 -0.054 1.00 0.00 N ATOM 230 CA GLU A 18 -2.844 -11.909 -0.356 1.00 0.00 C ATOM 231 C GLU A 18 -1.540 -11.889 0.437 1.00 0.00 C ATOM 232 O GLU A 18 -0.910 -10.846 0.617 1.00 0.00 O ATOM 233 CB GLU A 18 -2.540 -11.974 -1.855 1.00 0.00 C ATOM 234 CG GLU A 18 -1.208 -12.631 -2.178 1.00 0.00 C ATOM 235 CD GLU A 18 -0.856 -12.541 -3.650 1.00 0.00 C ATOM 236 OE1 GLU A 18 -0.274 -11.514 -4.059 1.00 0.00 O ATOM 237 OE2 GLU A 18 -1.160 -13.497 -4.393 1.00 0.00 O ATOM 0 H GLU A 18 -3.121 -9.916 0.235 1.00 0.00 H new ATOM 0 HA GLU A 18 -3.411 -12.794 -0.068 1.00 0.00 H new ATOM 0 HB2 GLU A 18 -3.337 -12.523 -2.355 1.00 0.00 H new ATOM 0 HB3 GLU A 18 -2.545 -10.963 -2.262 1.00 0.00 H new ATOM 0 HG2 GLU A 18 -0.421 -12.158 -1.590 1.00 0.00 H new ATOM 0 HG3 GLU A 18 -1.242 -13.679 -1.880 1.00 0.00 H new ATOM 244 N PRO A 19 -1.126 -13.068 0.924 1.00 0.00 N ATOM 245 CA PRO A 19 0.105 -13.213 1.707 1.00 0.00 C ATOM 246 C PRO A 19 1.357 -13.012 0.860 1.00 0.00 C ATOM 247 O PRO A 19 1.785 -13.916 0.143 1.00 0.00 O ATOM 248 CB PRO A 19 0.031 -14.653 2.220 1.00 0.00 C ATOM 249 CG PRO A 19 -0.828 -15.364 1.232 1.00 0.00 C ATOM 250 CD PRO A 19 -1.828 -14.350 0.748 1.00 0.00 C ATOM 0 HA PRO A 19 0.175 -12.467 2.499 1.00 0.00 H new ATOM 0 HB2 PRO A 19 1.022 -15.103 2.279 1.00 0.00 H new ATOM 0 HB3 PRO A 19 -0.399 -14.695 3.221 1.00 0.00 H new ATOM 0 HG2 PRO A 19 -0.233 -15.751 0.405 1.00 0.00 H new ATOM 0 HG3 PRO A 19 -1.328 -16.217 1.692 1.00 0.00 H new ATOM 0 HD2 PRO A 19 -2.100 -14.519 -0.294 1.00 0.00 H new ATOM 0 HD3 PRO A 19 -2.750 -14.386 1.328 1.00 0.00 H new ATOM 258 N VAL A 20 1.940 -11.821 0.948 1.00 0.00 N ATOM 259 CA VAL A 20 3.145 -11.502 0.191 1.00 0.00 C ATOM 260 C VAL A 20 4.187 -10.827 1.075 1.00 0.00 C ATOM 261 O VAL A 20 3.899 -9.838 1.749 1.00 0.00 O ATOM 262 CB VAL A 20 2.830 -10.584 -1.005 1.00 0.00 C ATOM 263 CG1 VAL A 20 1.917 -9.444 -0.577 1.00 0.00 C ATOM 264 CG2 VAL A 20 4.115 -10.048 -1.618 1.00 0.00 C ATOM 0 H VAL A 20 1.598 -11.061 1.536 1.00 0.00 H new ATOM 0 HA VAL A 20 3.544 -12.446 -0.180 1.00 0.00 H new ATOM 0 HB VAL A 20 2.310 -11.169 -1.763 1.00 0.00 H new ATOM 0 HG11 VAL A 20 1.705 -8.806 -1.435 1.00 0.00 H new ATOM 0 HG12 VAL A 20 0.984 -9.852 -0.189 1.00 0.00 H new ATOM 0 HG13 VAL A 20 2.407 -8.857 0.200 1.00 0.00 H new ATOM 0 HG21 VAL A 20 3.874 -9.401 -2.462 1.00 0.00 H new ATOM 0 HG22 VAL A 20 4.665 -9.478 -0.869 1.00 0.00 H new ATOM 0 HG23 VAL A 20 4.728 -10.880 -1.963 1.00 0.00 H new ATOM 274 N LYS A 21 5.401 -11.368 1.068 1.00 0.00 N ATOM 275 CA LYS A 21 6.489 -10.818 1.868 1.00 0.00 C ATOM 276 C LYS A 21 7.044 -9.548 1.231 1.00 0.00 C ATOM 277 O LYS A 21 7.675 -9.597 0.175 1.00 0.00 O ATOM 278 CB LYS A 21 7.606 -11.852 2.026 1.00 0.00 C ATOM 279 CG LYS A 21 8.652 -11.464 3.057 1.00 0.00 C ATOM 280 CD LYS A 21 8.263 -11.930 4.449 1.00 0.00 C ATOM 281 CE LYS A 21 9.102 -11.249 5.520 1.00 0.00 C ATOM 282 NZ LYS A 21 9.161 -12.051 6.773 1.00 0.00 N ATOM 0 H LYS A 21 5.656 -12.187 0.517 1.00 0.00 H new ATOM 0 HA LYS A 21 6.093 -10.567 2.852 1.00 0.00 H new ATOM 0 HB2 LYS A 21 7.167 -12.809 2.309 1.00 0.00 H new ATOM 0 HB3 LYS A 21 8.094 -11.997 1.062 1.00 0.00 H new ATOM 0 HG2 LYS A 21 9.613 -11.898 2.782 1.00 0.00 H new ATOM 0 HG3 LYS A 21 8.780 -10.382 3.057 1.00 0.00 H new ATOM 0 HD2 LYS A 21 7.208 -11.719 4.623 1.00 0.00 H new ATOM 0 HD3 LYS A 21 8.388 -13.011 4.520 1.00 0.00 H new ATOM 0 HE2 LYS A 21 10.112 -11.090 5.143 1.00 0.00 H new ATOM 0 HE3 LYS A 21 8.684 -10.266 5.738 1.00 0.00 H new ATOM 0 HZ1 LYS A 21 9.742 -11.553 7.477 1.00 0.00 H new ATOM 0 HZ2 LYS A 21 8.199 -12.182 7.147 1.00 0.00 H new ATOM 0 HZ3 LYS A 21 9.583 -12.980 6.571 1.00 0.00 H new ATOM 296 N TRP A 22 6.807 -8.414 1.880 1.00 0.00 N ATOM 297 CA TRP A 22 7.285 -7.131 1.377 1.00 0.00 C ATOM 298 C TRP A 22 8.794 -7.005 1.554 1.00 0.00 C ATOM 299 O TRP A 22 9.343 -7.409 2.578 1.00 0.00 O ATOM 300 CB TRP A 22 6.577 -5.982 2.096 1.00 0.00 C ATOM 301 CG TRP A 22 5.119 -5.881 1.762 1.00 0.00 C ATOM 302 CD1 TRP A 22 4.068 -6.168 2.586 1.00 0.00 C ATOM 303 CD2 TRP A 22 4.552 -5.465 0.515 1.00 0.00 C ATOM 304 NE1 TRP A 22 2.882 -5.956 1.925 1.00 0.00 N ATOM 305 CE2 TRP A 22 3.152 -5.524 0.654 1.00 0.00 C ATOM 306 CE3 TRP A 22 5.091 -5.048 -0.705 1.00 0.00 C ATOM 307 CZ2 TRP A 22 2.286 -5.181 -0.382 1.00 0.00 C ATOM 308 CZ3 TRP A 22 4.231 -4.709 -1.732 1.00 0.00 C ATOM 309 CH2 TRP A 22 2.841 -4.776 -1.565 1.00 0.00 C ATOM 0 H TRP A 22 6.287 -8.356 2.756 1.00 0.00 H new ATOM 0 HA TRP A 22 7.057 -7.079 0.312 1.00 0.00 H new ATOM 0 HB2 TRP A 22 6.688 -6.113 3.172 1.00 0.00 H new ATOM 0 HB3 TRP A 22 7.068 -5.044 1.837 1.00 0.00 H new ATOM 0 HD1 TRP A 22 4.156 -6.511 3.606 1.00 0.00 H new ATOM 0 HE1 TRP A 22 1.951 -6.098 2.318 1.00 0.00 H new ATOM 0 HE3 TRP A 22 6.161 -4.992 -0.843 1.00 0.00 H new ATOM 0 HZ2 TRP A 22 1.215 -5.233 -0.256 1.00 0.00 H new ATOM 0 HZ3 TRP A 22 4.637 -4.387 -2.680 1.00 0.00 H new ATOM 0 HH2 TRP A 22 2.195 -4.503 -2.386 1.00 0.00 H new ATOM 320 N GLU A 23 9.459 -6.443 0.549 1.00 0.00 N ATOM 321 CA GLU A 23 10.905 -6.265 0.596 1.00 0.00 C ATOM 322 C GLU A 23 11.274 -4.785 0.537 1.00 0.00 C ATOM 323 O GLU A 23 10.544 -3.975 -0.033 1.00 0.00 O ATOM 324 CB GLU A 23 11.571 -7.014 -0.560 1.00 0.00 C ATOM 325 CG GLU A 23 11.247 -8.498 -0.590 1.00 0.00 C ATOM 326 CD GLU A 23 12.011 -9.241 -1.669 1.00 0.00 C ATOM 327 OE1 GLU A 23 11.734 -9.001 -2.863 1.00 0.00 O ATOM 328 OE2 GLU A 23 12.886 -10.061 -1.320 1.00 0.00 O ATOM 0 H GLU A 23 9.019 -6.104 -0.307 1.00 0.00 H new ATOM 0 HA GLU A 23 11.265 -6.674 1.540 1.00 0.00 H new ATOM 0 HB2 GLU A 23 11.258 -6.563 -1.502 1.00 0.00 H new ATOM 0 HB3 GLU A 23 12.651 -6.888 -0.489 1.00 0.00 H new ATOM 0 HG2 GLU A 23 11.478 -8.936 0.381 1.00 0.00 H new ATOM 0 HG3 GLU A 23 10.177 -8.629 -0.752 1.00 0.00 H new ATOM 335 N ASN A 24 12.412 -4.441 1.130 1.00 0.00 N ATOM 336 CA ASN A 24 12.878 -3.059 1.146 1.00 0.00 C ATOM 337 C ASN A 24 13.062 -2.530 -0.273 1.00 0.00 C ATOM 338 O ASN A 24 13.407 -3.280 -1.186 1.00 0.00 O ATOM 339 CB ASN A 24 14.196 -2.952 1.916 1.00 0.00 C ATOM 340 CG ASN A 24 14.848 -1.592 1.760 1.00 0.00 C ATOM 341 OD1 ASN A 24 15.257 -1.209 0.664 1.00 0.00 O ATOM 342 ND2 ASN A 24 14.949 -0.854 2.860 1.00 0.00 N ATOM 0 H ASN A 24 13.029 -5.100 1.606 1.00 0.00 H new ATOM 0 HA ASN A 24 12.122 -2.453 1.646 1.00 0.00 H new ATOM 0 HB2 ASN A 24 14.013 -3.145 2.973 1.00 0.00 H new ATOM 0 HB3 ASN A 24 14.882 -3.723 1.566 1.00 0.00 H new ATOM 0 HD21 ASN A 24 15.379 0.070 2.817 1.00 0.00 H new ATOM 0 HD22 ASN A 24 14.596 -1.211 3.748 1.00 0.00 H new ATOM 349 N ASP A 25 12.828 -1.235 -0.451 1.00 0.00 N ATOM 350 CA ASP A 25 12.969 -0.604 -1.758 1.00 0.00 C ATOM 351 C ASP A 25 11.971 -1.189 -2.753 1.00 0.00 C ATOM 352 O ASP A 25 12.339 -1.568 -3.865 1.00 0.00 O ATOM 353 CB ASP A 25 14.395 -0.781 -2.282 1.00 0.00 C ATOM 354 CG ASP A 25 14.667 0.062 -3.513 1.00 0.00 C ATOM 355 OD1 ASP A 25 14.293 1.253 -3.512 1.00 0.00 O ATOM 356 OD2 ASP A 25 15.256 -0.471 -4.477 1.00 0.00 O ATOM 0 H ASP A 25 12.540 -0.601 0.294 1.00 0.00 H new ATOM 0 HA ASP A 25 12.762 0.460 -1.646 1.00 0.00 H new ATOM 0 HB2 ASP A 25 15.103 -0.513 -1.498 1.00 0.00 H new ATOM 0 HB3 ASP A 25 14.564 -1.831 -2.519 1.00 0.00 H new ATOM 361 N MET A 26 10.708 -1.259 -2.346 1.00 0.00 N ATOM 362 CA MET A 26 9.658 -1.798 -3.202 1.00 0.00 C ATOM 363 C MET A 26 8.515 -0.799 -3.355 1.00 0.00 C ATOM 364 O MET A 26 8.434 0.183 -2.617 1.00 0.00 O ATOM 365 CB MET A 26 9.128 -3.114 -2.629 1.00 0.00 C ATOM 366 CG MET A 26 9.901 -4.336 -3.098 1.00 0.00 C ATOM 367 SD MET A 26 9.042 -5.880 -2.740 1.00 0.00 S ATOM 368 CE MET A 26 7.550 -5.670 -3.708 1.00 0.00 C ATOM 0 H MET A 26 10.387 -0.949 -1.429 1.00 0.00 H new ATOM 0 HA MET A 26 10.087 -1.986 -4.186 1.00 0.00 H new ATOM 0 HB2 MET A 26 9.164 -3.067 -1.541 1.00 0.00 H new ATOM 0 HB3 MET A 26 8.081 -3.227 -2.909 1.00 0.00 H new ATOM 0 HG2 MET A 26 10.074 -4.262 -4.172 1.00 0.00 H new ATOM 0 HG3 MET A 26 10.879 -4.349 -2.617 1.00 0.00 H new ATOM 0 HE1 MET A 26 7.168 -6.647 -4.005 1.00 0.00 H new ATOM 0 HE2 MET A 26 6.799 -5.153 -3.111 1.00 0.00 H new ATOM 0 HE3 MET A 26 7.774 -5.082 -4.598 1.00 0.00 H new ATOM 378 N HIS A 27 7.635 -1.057 -4.317 1.00 0.00 N ATOM 379 CA HIS A 27 6.496 -0.180 -4.566 1.00 0.00 C ATOM 380 C HIS A 27 5.181 -0.928 -4.369 1.00 0.00 C ATOM 381 O HIS A 27 5.093 -2.128 -4.633 1.00 0.00 O ATOM 382 CB HIS A 27 6.565 0.391 -5.982 1.00 0.00 C ATOM 383 CG HIS A 27 7.555 1.505 -6.132 1.00 0.00 C ATOM 384 ND1 HIS A 27 7.420 2.513 -7.063 1.00 0.00 N ATOM 385 CD2 HIS A 27 8.701 1.767 -5.461 1.00 0.00 C ATOM 386 CE1 HIS A 27 8.440 3.345 -6.959 1.00 0.00 C ATOM 387 NE2 HIS A 27 9.232 2.915 -5.994 1.00 0.00 N ATOM 0 H HIS A 27 7.688 -1.865 -4.937 1.00 0.00 H new ATOM 0 HA HIS A 27 6.537 0.641 -3.850 1.00 0.00 H new ATOM 0 HB2 HIS A 27 6.824 -0.409 -6.675 1.00 0.00 H new ATOM 0 HB3 HIS A 27 5.577 0.753 -6.267 1.00 0.00 H new ATOM 0 HD2 HIS A 27 9.120 1.182 -4.656 1.00 0.00 H new ATOM 0 HE1 HIS A 27 8.599 4.227 -7.561 1.00 0.00 H new ATOM 0 HE2 HIS A 27 10.098 3.363 -5.693 1.00 0.00 H new ATOM 395 N CYS A 28 4.163 -0.212 -3.905 1.00 0.00 N ATOM 396 CA CYS A 28 2.852 -0.809 -3.672 1.00 0.00 C ATOM 397 C CYS A 28 1.813 0.264 -3.364 1.00 0.00 C ATOM 398 O CYS A 28 2.140 1.445 -3.255 1.00 0.00 O ATOM 399 CB CYS A 28 2.924 -1.813 -2.520 1.00 0.00 C ATOM 400 SG CYS A 28 3.551 -1.118 -0.973 1.00 0.00 S ATOM 0 H CYS A 28 4.220 0.782 -3.683 1.00 0.00 H new ATOM 0 HA CYS A 28 2.550 -1.330 -4.580 1.00 0.00 H new ATOM 0 HB2 CYS A 28 1.929 -2.221 -2.345 1.00 0.00 H new ATOM 0 HB3 CYS A 28 3.562 -2.645 -2.817 1.00 0.00 H new ATOM 0 HG CYS A 28 4.844 -1.249 -0.931 1.00 0.00 H new ATOM 406 N ALA A 29 0.560 -0.156 -3.226 1.00 0.00 N ATOM 407 CA ALA A 29 -0.527 0.769 -2.930 1.00 0.00 C ATOM 408 C ALA A 29 -1.095 0.521 -1.537 1.00 0.00 C ATOM 409 O ALA A 29 -1.040 -0.597 -1.023 1.00 0.00 O ATOM 410 CB ALA A 29 -1.623 0.648 -3.979 1.00 0.00 C ATOM 0 H ALA A 29 0.272 -1.131 -3.314 1.00 0.00 H new ATOM 0 HA ALA A 29 -0.126 1.782 -2.955 1.00 0.00 H new ATOM 0 HB1 ALA A 29 -2.428 1.344 -3.746 1.00 0.00 H new ATOM 0 HB2 ALA A 29 -1.214 0.883 -4.962 1.00 0.00 H new ATOM 0 HB3 ALA A 29 -2.013 -0.370 -3.982 1.00 0.00 H new ATOM 416 N VAL A 30 -1.641 1.570 -0.930 1.00 0.00 N ATOM 417 CA VAL A 30 -2.219 1.466 0.404 1.00 0.00 C ATOM 418 C VAL A 30 -3.558 2.191 0.481 1.00 0.00 C ATOM 419 O VAL A 30 -3.833 3.096 -0.308 1.00 0.00 O ATOM 420 CB VAL A 30 -1.273 2.043 1.473 1.00 0.00 C ATOM 421 CG1 VAL A 30 -0.872 3.467 1.119 1.00 0.00 C ATOM 422 CG2 VAL A 30 -1.925 1.990 2.847 1.00 0.00 C ATOM 0 H VAL A 30 -1.695 2.502 -1.341 1.00 0.00 H new ATOM 0 HA VAL A 30 -2.372 0.405 0.600 1.00 0.00 H new ATOM 0 HB VAL A 30 -0.370 1.433 1.501 1.00 0.00 H new ATOM 0 HG11 VAL A 30 -0.203 3.858 1.886 1.00 0.00 H new ATOM 0 HG12 VAL A 30 -0.362 3.473 0.156 1.00 0.00 H new ATOM 0 HG13 VAL A 30 -1.763 4.092 1.061 1.00 0.00 H new ATOM 0 HG21 VAL A 30 -1.242 2.402 3.590 1.00 0.00 H new ATOM 0 HG22 VAL A 30 -2.845 2.575 2.836 1.00 0.00 H new ATOM 0 HG23 VAL A 30 -2.156 0.955 3.101 1.00 0.00 H new ATOM 432 N LYS A 31 -4.388 1.790 1.437 1.00 0.00 N ATOM 433 CA LYS A 31 -5.699 2.402 1.620 1.00 0.00 C ATOM 434 C LYS A 31 -5.696 3.347 2.818 1.00 0.00 C ATOM 435 O LYS A 31 -5.408 2.936 3.943 1.00 0.00 O ATOM 436 CB LYS A 31 -6.767 1.323 1.811 1.00 0.00 C ATOM 437 CG LYS A 31 -8.182 1.817 1.566 1.00 0.00 C ATOM 438 CD LYS A 31 -9.199 0.701 1.732 1.00 0.00 C ATOM 439 CE LYS A 31 -9.632 0.551 3.182 1.00 0.00 C ATOM 440 NZ LYS A 31 -10.970 -0.092 3.299 1.00 0.00 N ATOM 0 H LYS A 31 -4.176 1.043 2.098 1.00 0.00 H new ATOM 0 HA LYS A 31 -5.931 2.979 0.725 1.00 0.00 H new ATOM 0 HB2 LYS A 31 -6.559 0.494 1.135 1.00 0.00 H new ATOM 0 HB3 LYS A 31 -6.699 0.932 2.826 1.00 0.00 H new ATOM 0 HG2 LYS A 31 -8.411 2.626 2.260 1.00 0.00 H new ATOM 0 HG3 LYS A 31 -8.255 2.230 0.560 1.00 0.00 H new ATOM 0 HD2 LYS A 31 -10.071 0.907 1.111 1.00 0.00 H new ATOM 0 HD3 LYS A 31 -8.771 -0.238 1.380 1.00 0.00 H new ATOM 0 HE2 LYS A 31 -8.895 -0.044 3.721 1.00 0.00 H new ATOM 0 HE3 LYS A 31 -9.658 1.532 3.656 1.00 0.00 H new ATOM 0 HZ1 LYS A 31 -11.228 -0.176 4.303 1.00 0.00 H new ATOM 0 HZ2 LYS A 31 -11.678 0.489 2.806 1.00 0.00 H new ATOM 0 HZ3 LYS A 31 -10.939 -1.039 2.869 1.00 0.00 H new ATOM 454 N ILE A 32 -6.019 4.611 2.569 1.00 0.00 N ATOM 455 CA ILE A 32 -6.056 5.612 3.628 1.00 0.00 C ATOM 456 C ILE A 32 -7.235 5.377 4.566 1.00 0.00 C ATOM 457 O ILE A 32 -8.337 5.055 4.124 1.00 0.00 O ATOM 458 CB ILE A 32 -6.149 7.038 3.053 1.00 0.00 C ATOM 459 CG1 ILE A 32 -5.058 7.260 2.003 1.00 0.00 C ATOM 460 CG2 ILE A 32 -6.037 8.067 4.167 1.00 0.00 C ATOM 461 CD1 ILE A 32 -5.239 8.530 1.203 1.00 0.00 C ATOM 0 H ILE A 32 -6.259 4.967 1.644 1.00 0.00 H new ATOM 0 HA ILE A 32 -5.125 5.514 4.186 1.00 0.00 H new ATOM 0 HB ILE A 32 -7.120 7.157 2.572 1.00 0.00 H new ATOM 0 HG12 ILE A 32 -4.088 7.288 2.499 1.00 0.00 H new ATOM 0 HG13 ILE A 32 -5.043 6.410 1.321 1.00 0.00 H new ATOM 0 HG21 ILE A 32 -6.104 9.069 3.744 1.00 0.00 H new ATOM 0 HG22 ILE A 32 -6.847 7.919 4.882 1.00 0.00 H new ATOM 0 HG23 ILE A 32 -5.079 7.951 4.675 1.00 0.00 H new ATOM 0 HD11 ILE A 32 -4.430 8.622 0.478 1.00 0.00 H new ATOM 0 HD12 ILE A 32 -6.194 8.497 0.678 1.00 0.00 H new ATOM 0 HD13 ILE A 32 -5.224 9.388 1.875 1.00 0.00 H new ATOM 473 N GLN A 33 -6.994 5.541 5.863 1.00 0.00 N ATOM 474 CA GLN A 33 -8.037 5.348 6.864 1.00 0.00 C ATOM 475 C GLN A 33 -9.017 6.516 6.862 1.00 0.00 C ATOM 476 O GLN A 33 -10.197 6.348 6.556 1.00 0.00 O ATOM 477 CB GLN A 33 -7.417 5.189 8.253 1.00 0.00 C ATOM 478 CG GLN A 33 -6.740 3.845 8.468 1.00 0.00 C ATOM 479 CD GLN A 33 -7.730 2.701 8.560 1.00 0.00 C ATOM 480 OE1 GLN A 33 -8.915 2.865 8.270 1.00 0.00 O ATOM 481 NE2 GLN A 33 -7.248 1.532 8.967 1.00 0.00 N ATOM 0 H GLN A 33 -6.086 5.807 6.245 1.00 0.00 H new ATOM 0 HA GLN A 33 -8.584 4.439 6.612 1.00 0.00 H new ATOM 0 HB2 GLN A 33 -6.687 5.983 8.409 1.00 0.00 H new ATOM 0 HB3 GLN A 33 -8.195 5.319 9.006 1.00 0.00 H new ATOM 0 HG2 GLN A 33 -6.047 3.656 7.648 1.00 0.00 H new ATOM 0 HG3 GLN A 33 -6.148 3.883 9.383 1.00 0.00 H new ATOM 0 HE21 GLN A 33 -6.259 1.441 9.197 1.00 0.00 H new ATOM 0 HE22 GLN A 33 -7.867 0.726 9.049 1.00 0.00 H new ATOM 490 N ASP A 34 -8.520 7.699 7.205 1.00 0.00 N ATOM 491 CA ASP A 34 -9.351 8.897 7.242 1.00 0.00 C ATOM 492 C ASP A 34 -9.996 9.153 5.883 1.00 0.00 C ATOM 493 O ASP A 34 -11.164 9.535 5.800 1.00 0.00 O ATOM 494 CB ASP A 34 -8.519 10.109 7.662 1.00 0.00 C ATOM 495 CG ASP A 34 -9.349 11.374 7.765 1.00 0.00 C ATOM 496 OD1 ASP A 34 -9.932 11.614 8.842 1.00 0.00 O ATOM 497 OD2 ASP A 34 -9.416 12.122 6.767 1.00 0.00 O ATOM 0 H ASP A 34 -7.545 7.854 7.462 1.00 0.00 H new ATOM 0 HA ASP A 34 -10.142 8.738 7.975 1.00 0.00 H new ATOM 0 HB2 ASP A 34 -8.049 9.907 8.624 1.00 0.00 H new ATOM 0 HB3 ASP A 34 -7.716 10.262 6.941 1.00 0.00 H new ATOM 502 N LYS A 35 -9.228 8.940 4.820 1.00 0.00 N ATOM 503 CA LYS A 35 -9.723 9.147 3.464 1.00 0.00 C ATOM 504 C LYS A 35 -10.210 7.835 2.857 1.00 0.00 C ATOM 505 O LYS A 35 -10.072 6.772 3.460 1.00 0.00 O ATOM 506 CB LYS A 35 -8.626 9.752 2.586 1.00 0.00 C ATOM 507 CG LYS A 35 -7.906 10.924 3.232 1.00 0.00 C ATOM 508 CD LYS A 35 -8.801 12.149 3.318 1.00 0.00 C ATOM 509 CE LYS A 35 -8.883 12.873 1.983 1.00 0.00 C ATOM 510 NZ LYS A 35 -7.718 13.775 1.769 1.00 0.00 N ATOM 0 H LYS A 35 -8.260 8.624 4.871 1.00 0.00 H new ATOM 0 HA LYS A 35 -10.564 9.839 3.512 1.00 0.00 H new ATOM 0 HB2 LYS A 35 -7.898 8.978 2.344 1.00 0.00 H new ATOM 0 HB3 LYS A 35 -9.066 10.081 1.645 1.00 0.00 H new ATOM 0 HG2 LYS A 35 -7.575 10.643 4.232 1.00 0.00 H new ATOM 0 HG3 LYS A 35 -7.012 11.165 2.657 1.00 0.00 H new ATOM 0 HD2 LYS A 35 -9.801 11.849 3.633 1.00 0.00 H new ATOM 0 HD3 LYS A 35 -8.417 12.829 4.079 1.00 0.00 H new ATOM 0 HE2 LYS A 35 -8.929 12.142 1.176 1.00 0.00 H new ATOM 0 HE3 LYS A 35 -9.804 13.454 1.941 1.00 0.00 H new ATOM 0 HZ1 LYS A 35 -7.811 14.250 0.848 1.00 0.00 H new ATOM 0 HZ2 LYS A 35 -7.688 14.488 2.525 1.00 0.00 H new ATOM 0 HZ3 LYS A 35 -6.840 13.218 1.784 1.00 0.00 H new ATOM 524 N ASN A 36 -10.778 7.919 1.658 1.00 0.00 N ATOM 525 CA ASN A 36 -11.284 6.738 0.969 1.00 0.00 C ATOM 526 C ASN A 36 -10.575 6.542 -0.368 1.00 0.00 C ATOM 527 O ASN A 36 -11.150 6.002 -1.313 1.00 0.00 O ATOM 528 CB ASN A 36 -12.793 6.859 0.745 1.00 0.00 C ATOM 529 CG ASN A 36 -13.535 7.249 2.009 1.00 0.00 C ATOM 530 OD1 ASN A 36 -14.103 6.399 2.696 1.00 0.00 O ATOM 531 ND2 ASN A 36 -13.534 8.540 2.321 1.00 0.00 N ATOM 0 H ASN A 36 -10.899 8.792 1.144 1.00 0.00 H new ATOM 0 HA ASN A 36 -11.085 5.870 1.597 1.00 0.00 H new ATOM 0 HB2 ASN A 36 -12.984 7.602 -0.029 1.00 0.00 H new ATOM 0 HB3 ASN A 36 -13.181 5.909 0.378 1.00 0.00 H new ATOM 0 HD21 ASN A 36 -14.017 8.862 3.159 1.00 0.00 H new ATOM 0 HD22 ASN A 36 -13.050 9.209 1.722 1.00 0.00 H new ATOM 538 N GLN A 37 -9.324 6.986 -0.438 1.00 0.00 N ATOM 539 CA GLN A 37 -8.537 6.860 -1.659 1.00 0.00 C ATOM 540 C GLN A 37 -7.420 5.836 -1.483 1.00 0.00 C ATOM 541 O GLN A 37 -7.284 5.228 -0.422 1.00 0.00 O ATOM 542 CB GLN A 37 -7.946 8.215 -2.052 1.00 0.00 C ATOM 543 CG GLN A 37 -8.995 9.264 -2.381 1.00 0.00 C ATOM 544 CD GLN A 37 -8.462 10.678 -2.266 1.00 0.00 C ATOM 545 OE1 GLN A 37 -7.386 10.992 -2.776 1.00 0.00 O ATOM 546 NE2 GLN A 37 -9.215 11.542 -1.595 1.00 0.00 N ATOM 0 H GLN A 37 -8.834 7.436 0.336 1.00 0.00 H new ATOM 0 HA GLN A 37 -9.198 6.516 -2.454 1.00 0.00 H new ATOM 0 HB2 GLN A 37 -7.322 8.580 -1.236 1.00 0.00 H new ATOM 0 HB3 GLN A 37 -7.295 8.081 -2.916 1.00 0.00 H new ATOM 0 HG2 GLN A 37 -9.363 9.100 -3.394 1.00 0.00 H new ATOM 0 HG3 GLN A 37 -9.846 9.145 -1.710 1.00 0.00 H new ATOM 0 HE21 GLN A 37 -10.100 11.239 -1.189 1.00 0.00 H new ATOM 0 HE22 GLN A 37 -8.908 12.509 -1.486 1.00 0.00 H new ATOM 555 N TRP A 38 -6.625 5.650 -2.531 1.00 0.00 N ATOM 556 CA TRP A 38 -5.520 4.699 -2.492 1.00 0.00 C ATOM 557 C TRP A 38 -4.225 5.350 -2.965 1.00 0.00 C ATOM 558 O TRP A 38 -4.069 5.655 -4.148 1.00 0.00 O ATOM 559 CB TRP A 38 -5.839 3.480 -3.358 1.00 0.00 C ATOM 560 CG TRP A 38 -6.597 2.414 -2.627 1.00 0.00 C ATOM 561 CD1 TRP A 38 -7.936 2.399 -2.357 1.00 0.00 C ATOM 562 CD2 TRP A 38 -6.061 1.208 -2.071 1.00 0.00 C ATOM 563 NE1 TRP A 38 -8.264 1.257 -1.666 1.00 0.00 N ATOM 564 CE2 TRP A 38 -7.131 0.510 -1.479 1.00 0.00 C ATOM 565 CE3 TRP A 38 -4.781 0.650 -2.018 1.00 0.00 C ATOM 566 CZ2 TRP A 38 -6.958 -0.716 -0.842 1.00 0.00 C ATOM 567 CZ3 TRP A 38 -4.611 -0.567 -1.385 1.00 0.00 C ATOM 568 CH2 TRP A 38 -5.695 -1.239 -0.804 1.00 0.00 C ATOM 0 H TRP A 38 -6.725 6.145 -3.417 1.00 0.00 H new ATOM 0 HA TRP A 38 -5.386 4.377 -1.459 1.00 0.00 H new ATOM 0 HB2 TRP A 38 -6.419 3.800 -4.223 1.00 0.00 H new ATOM 0 HB3 TRP A 38 -4.908 3.059 -3.737 1.00 0.00 H new ATOM 0 HD1 TRP A 38 -8.634 3.171 -2.644 1.00 0.00 H new ATOM 0 HE1 TRP A 38 -9.199 1.006 -1.345 1.00 0.00 H new ATOM 0 HE3 TRP A 38 -3.940 1.160 -2.463 1.00 0.00 H new ATOM 0 HZ2 TRP A 38 -7.792 -1.236 -0.394 1.00 0.00 H new ATOM 0 HZ3 TRP A 38 -3.626 -1.008 -1.337 1.00 0.00 H new ATOM 0 HH2 TRP A 38 -5.530 -2.189 -0.317 1.00 0.00 H new ATOM 579 N ARG A 39 -3.298 5.559 -2.036 1.00 0.00 N ATOM 580 CA ARG A 39 -2.017 6.174 -2.359 1.00 0.00 C ATOM 581 C ARG A 39 -0.908 5.128 -2.407 1.00 0.00 C ATOM 582 O ARG A 39 -1.009 4.072 -1.781 1.00 0.00 O ATOM 583 CB ARG A 39 -1.671 7.253 -1.330 1.00 0.00 C ATOM 584 CG ARG A 39 -2.213 8.628 -1.684 1.00 0.00 C ATOM 585 CD ARG A 39 -1.911 9.643 -0.592 1.00 0.00 C ATOM 586 NE ARG A 39 -2.625 10.900 -0.801 1.00 0.00 N ATOM 587 CZ ARG A 39 -2.584 11.918 0.051 1.00 0.00 C ATOM 588 NH1 ARG A 39 -1.866 11.829 1.162 1.00 0.00 N ATOM 589 NH2 ARG A 39 -3.262 13.029 -0.209 1.00 0.00 N ATOM 0 H ARG A 39 -3.411 5.311 -1.053 1.00 0.00 H new ATOM 0 HA ARG A 39 -2.102 6.634 -3.344 1.00 0.00 H new ATOM 0 HB2 ARG A 39 -2.065 6.956 -0.358 1.00 0.00 H new ATOM 0 HB3 ARG A 39 -0.587 7.314 -1.230 1.00 0.00 H new ATOM 0 HG2 ARG A 39 -1.775 8.962 -2.624 1.00 0.00 H new ATOM 0 HG3 ARG A 39 -3.290 8.567 -1.838 1.00 0.00 H new ATOM 0 HD2 ARG A 39 -2.187 9.226 0.377 1.00 0.00 H new ATOM 0 HD3 ARG A 39 -0.839 9.836 -0.563 1.00 0.00 H new ATOM 0 HE ARG A 39 -3.185 11.001 -1.647 1.00 0.00 H new ATOM 0 HH11 ARG A 39 -1.343 10.977 1.364 1.00 0.00 H new ATOM 0 HH12 ARG A 39 -1.837 12.613 1.814 1.00 0.00 H new ATOM 0 HH21 ARG A 39 -3.815 13.101 -1.063 1.00 0.00 H new ATOM 0 HH22 ARG A 39 -3.230 13.811 0.445 1.00 0.00 H new ATOM 603 N ARG A 40 0.149 5.427 -3.155 1.00 0.00 N ATOM 604 CA ARG A 40 1.276 4.512 -3.287 1.00 0.00 C ATOM 605 C ARG A 40 2.345 4.811 -2.240 1.00 0.00 C ATOM 606 O ARG A 40 2.400 5.911 -1.691 1.00 0.00 O ATOM 607 CB ARG A 40 1.879 4.609 -4.689 1.00 0.00 C ATOM 608 CG ARG A 40 0.883 4.325 -5.801 1.00 0.00 C ATOM 609 CD ARG A 40 1.538 4.411 -7.171 1.00 0.00 C ATOM 610 NE ARG A 40 2.032 5.755 -7.459 1.00 0.00 N ATOM 611 CZ ARG A 40 2.515 6.123 -8.640 1.00 0.00 C ATOM 612 NH1 ARG A 40 2.569 5.252 -9.639 1.00 0.00 N ATOM 613 NH2 ARG A 40 2.946 7.364 -8.824 1.00 0.00 N ATOM 0 H ARG A 40 0.248 6.296 -3.679 1.00 0.00 H new ATOM 0 HA ARG A 40 0.908 3.498 -3.127 1.00 0.00 H new ATOM 0 HB2 ARG A 40 2.292 5.608 -4.829 1.00 0.00 H new ATOM 0 HB3 ARG A 40 2.709 3.907 -4.768 1.00 0.00 H new ATOM 0 HG2 ARG A 40 0.455 3.332 -5.663 1.00 0.00 H new ATOM 0 HG3 ARG A 40 0.060 5.037 -5.745 1.00 0.00 H new ATOM 0 HD2 ARG A 40 2.365 3.702 -7.223 1.00 0.00 H new ATOM 0 HD3 ARG A 40 0.819 4.118 -7.936 1.00 0.00 H new ATOM 0 HE ARG A 40 2.004 6.449 -6.712 1.00 0.00 H new ATOM 0 HH11 ARG A 40 2.239 4.297 -9.501 1.00 0.00 H new ATOM 0 HH12 ARG A 40 2.940 5.538 -10.545 1.00 0.00 H new ATOM 0 HH21 ARG A 40 2.907 8.036 -8.058 1.00 0.00 H new ATOM 0 HH22 ARG A 40 3.317 7.646 -9.731 1.00 0.00 H new ATOM 627 N GLY A 41 3.193 3.824 -1.967 1.00 0.00 N ATOM 628 CA GLY A 41 4.248 4.001 -0.987 1.00 0.00 C ATOM 629 C GLY A 41 5.460 3.139 -1.277 1.00 0.00 C ATOM 630 O GLY A 41 5.371 2.162 -2.021 1.00 0.00 O ATOM 0 H GLY A 41 3.168 2.904 -2.408 1.00 0.00 H new ATOM 0 HA2 GLY A 41 4.548 5.049 -0.966 1.00 0.00 H new ATOM 0 HA3 GLY A 41 3.863 3.760 0.004 1.00 0.00 H new ATOM 634 N GLN A 42 6.597 3.501 -0.690 1.00 0.00 N ATOM 635 CA GLN A 42 7.832 2.753 -0.892 1.00 0.00 C ATOM 636 C GLN A 42 8.224 1.997 0.373 1.00 0.00 C ATOM 637 O GLN A 42 8.499 2.603 1.409 1.00 0.00 O ATOM 638 CB GLN A 42 8.962 3.697 -1.307 1.00 0.00 C ATOM 639 CG GLN A 42 10.149 2.986 -1.936 1.00 0.00 C ATOM 640 CD GLN A 42 11.194 3.949 -2.465 1.00 0.00 C ATOM 641 OE1 GLN A 42 10.871 5.055 -2.900 1.00 0.00 O ATOM 642 NE2 GLN A 42 12.454 3.533 -2.430 1.00 0.00 N ATOM 0 H GLN A 42 6.688 4.307 -0.071 1.00 0.00 H new ATOM 0 HA GLN A 42 7.662 2.028 -1.688 1.00 0.00 H new ATOM 0 HB2 GLN A 42 8.571 4.429 -2.014 1.00 0.00 H new ATOM 0 HB3 GLN A 42 9.302 4.250 -0.431 1.00 0.00 H new ATOM 0 HG2 GLN A 42 10.607 2.329 -1.197 1.00 0.00 H new ATOM 0 HG3 GLN A 42 9.798 2.353 -2.751 1.00 0.00 H new ATOM 0 HE21 GLN A 42 12.676 2.608 -2.061 1.00 0.00 H new ATOM 0 HE22 GLN A 42 13.201 4.138 -2.772 1.00 0.00 H new ATOM 651 N ILE A 43 8.248 0.672 0.281 1.00 0.00 N ATOM 652 CA ILE A 43 8.607 -0.166 1.418 1.00 0.00 C ATOM 653 C ILE A 43 9.840 0.376 2.133 1.00 0.00 C ATOM 654 O ILE A 43 10.972 0.068 1.758 1.00 0.00 O ATOM 655 CB ILE A 43 8.876 -1.619 0.984 1.00 0.00 C ATOM 656 CG1 ILE A 43 7.635 -2.212 0.314 1.00 0.00 C ATOM 657 CG2 ILE A 43 9.292 -2.461 2.181 1.00 0.00 C ATOM 658 CD1 ILE A 43 6.392 -2.141 1.174 1.00 0.00 C ATOM 0 H ILE A 43 8.023 0.156 -0.569 1.00 0.00 H new ATOM 0 HA ILE A 43 7.758 -0.151 2.101 1.00 0.00 H new ATOM 0 HB ILE A 43 9.692 -1.622 0.262 1.00 0.00 H new ATOM 0 HG12 ILE A 43 7.450 -1.685 -0.622 1.00 0.00 H new ATOM 0 HG13 ILE A 43 7.832 -3.253 0.059 1.00 0.00 H new ATOM 0 HG21 ILE A 43 9.479 -3.485 1.858 1.00 0.00 H new ATOM 0 HG22 ILE A 43 10.200 -2.047 2.619 1.00 0.00 H new ATOM 0 HG23 ILE A 43 8.495 -2.455 2.925 1.00 0.00 H new ATOM 0 HD11 ILE A 43 5.552 -2.579 0.636 1.00 0.00 H new ATOM 0 HD12 ILE A 43 6.558 -2.693 2.099 1.00 0.00 H new ATOM 0 HD13 ILE A 43 6.170 -1.100 1.407 1.00 0.00 H new ATOM 670 N ILE A 44 9.613 1.183 3.164 1.00 0.00 N ATOM 671 CA ILE A 44 10.706 1.765 3.933 1.00 0.00 C ATOM 672 C ILE A 44 11.400 0.710 4.787 1.00 0.00 C ATOM 673 O ILE A 44 12.572 0.397 4.575 1.00 0.00 O ATOM 674 CB ILE A 44 10.210 2.902 4.844 1.00 0.00 C ATOM 675 CG1 ILE A 44 9.746 4.094 4.004 1.00 0.00 C ATOM 676 CG2 ILE A 44 11.307 3.324 5.810 1.00 0.00 C ATOM 677 CD1 ILE A 44 9.310 5.283 4.830 1.00 0.00 C ATOM 0 H ILE A 44 8.682 1.449 3.486 1.00 0.00 H new ATOM 0 HA ILE A 44 11.417 2.171 3.213 1.00 0.00 H new ATOM 0 HB ILE A 44 9.362 2.538 5.424 1.00 0.00 H new ATOM 0 HG12 ILE A 44 10.557 4.399 3.343 1.00 0.00 H new ATOM 0 HG13 ILE A 44 8.918 3.780 3.369 1.00 0.00 H new ATOM 0 HG21 ILE A 44 10.941 4.129 6.447 1.00 0.00 H new ATOM 0 HG22 ILE A 44 11.594 2.474 6.428 1.00 0.00 H new ATOM 0 HG23 ILE A 44 12.173 3.672 5.247 1.00 0.00 H new ATOM 0 HD11 ILE A 44 8.995 6.090 4.168 1.00 0.00 H new ATOM 0 HD12 ILE A 44 8.478 4.994 5.472 1.00 0.00 H new ATOM 0 HD13 ILE A 44 10.143 5.623 5.446 1.00 0.00 H new ATOM 689 N ARG A 45 10.669 0.163 5.753 1.00 0.00 N ATOM 690 CA ARG A 45 11.214 -0.858 6.640 1.00 0.00 C ATOM 691 C ARG A 45 10.094 -1.630 7.332 1.00 0.00 C ATOM 692 O ARG A 45 9.214 -1.039 7.958 1.00 0.00 O ATOM 693 CB ARG A 45 12.130 -0.219 7.685 1.00 0.00 C ATOM 694 CG ARG A 45 11.399 0.240 8.936 1.00 0.00 C ATOM 695 CD ARG A 45 12.194 1.295 9.689 1.00 0.00 C ATOM 696 NE ARG A 45 13.158 0.700 10.612 1.00 0.00 N ATOM 697 CZ ARG A 45 13.895 1.407 11.461 1.00 0.00 C ATOM 698 NH1 ARG A 45 13.780 2.727 11.505 1.00 0.00 N ATOM 699 NH2 ARG A 45 14.750 0.793 12.269 1.00 0.00 N ATOM 0 H ARG A 45 9.697 0.410 5.941 1.00 0.00 H new ATOM 0 HA ARG A 45 11.794 -1.556 6.037 1.00 0.00 H new ATOM 0 HB2 ARG A 45 12.901 -0.936 7.967 1.00 0.00 H new ATOM 0 HB3 ARG A 45 12.638 0.635 7.237 1.00 0.00 H new ATOM 0 HG2 ARG A 45 10.424 0.644 8.662 1.00 0.00 H new ATOM 0 HG3 ARG A 45 11.218 -0.615 9.588 1.00 0.00 H new ATOM 0 HD2 ARG A 45 12.720 1.930 8.976 1.00 0.00 H new ATOM 0 HD3 ARG A 45 11.510 1.937 10.244 1.00 0.00 H new ATOM 0 HE ARG A 45 13.271 -0.314 10.604 1.00 0.00 H new ATOM 0 HH11 ARG A 45 13.124 3.203 10.886 1.00 0.00 H new ATOM 0 HH12 ARG A 45 14.348 3.267 12.158 1.00 0.00 H new ATOM 0 HH21 ARG A 45 14.841 -0.222 12.238 1.00 0.00 H new ATOM 0 HH22 ARG A 45 15.316 1.336 12.921 1.00 0.00 H new ATOM 713 N MET A 46 10.135 -2.953 7.215 1.00 0.00 N ATOM 714 CA MET A 46 9.125 -3.806 7.831 1.00 0.00 C ATOM 715 C MET A 46 9.249 -3.786 9.351 1.00 0.00 C ATOM 716 O MET A 46 10.316 -4.062 9.900 1.00 0.00 O ATOM 717 CB MET A 46 9.255 -5.240 7.316 1.00 0.00 C ATOM 718 CG MET A 46 8.583 -5.466 5.971 1.00 0.00 C ATOM 719 SD MET A 46 8.291 -7.212 5.625 1.00 0.00 S ATOM 720 CE MET A 46 6.762 -7.482 6.518 1.00 0.00 C ATOM 0 H MET A 46 10.856 -3.458 6.700 1.00 0.00 H new ATOM 0 HA MET A 46 8.143 -3.418 7.560 1.00 0.00 H new ATOM 0 HB2 MET A 46 10.312 -5.493 7.232 1.00 0.00 H new ATOM 0 HB3 MET A 46 8.822 -5.921 8.048 1.00 0.00 H new ATOM 0 HG2 MET A 46 7.633 -4.932 5.949 1.00 0.00 H new ATOM 0 HG3 MET A 46 9.205 -5.042 5.183 1.00 0.00 H new ATOM 0 HE1 MET A 46 6.642 -8.546 6.721 1.00 0.00 H new ATOM 0 HE2 MET A 46 6.789 -6.934 7.460 1.00 0.00 H new ATOM 0 HE3 MET A 46 5.923 -7.131 5.917 1.00 0.00 H new ATOM 730 N VAL A 47 8.153 -3.456 10.026 1.00 0.00 N ATOM 731 CA VAL A 47 8.139 -3.401 11.483 1.00 0.00 C ATOM 732 C VAL A 47 7.739 -4.745 12.080 1.00 0.00 C ATOM 733 O VAL A 47 8.532 -5.395 12.763 1.00 0.00 O ATOM 734 CB VAL A 47 7.173 -2.316 11.995 1.00 0.00 C ATOM 735 CG1 VAL A 47 7.197 -2.253 13.514 1.00 0.00 C ATOM 736 CG2 VAL A 47 7.522 -0.965 11.391 1.00 0.00 C ATOM 0 H VAL A 47 7.262 -3.222 9.587 1.00 0.00 H new ATOM 0 HA VAL A 47 9.152 -3.153 11.800 1.00 0.00 H new ATOM 0 HB VAL A 47 6.162 -2.577 11.683 1.00 0.00 H new ATOM 0 HG11 VAL A 47 6.508 -1.481 13.857 1.00 0.00 H new ATOM 0 HG12 VAL A 47 6.894 -3.217 13.923 1.00 0.00 H new ATOM 0 HG13 VAL A 47 8.206 -2.016 13.852 1.00 0.00 H new ATOM 0 HG21 VAL A 47 6.830 -0.210 11.763 1.00 0.00 H new ATOM 0 HG22 VAL A 47 8.540 -0.693 11.671 1.00 0.00 H new ATOM 0 HG23 VAL A 47 7.447 -1.022 10.305 1.00 0.00 H new ATOM 746 N THR A 48 6.503 -5.159 11.819 1.00 0.00 N ATOM 747 CA THR A 48 5.996 -6.426 12.331 1.00 0.00 C ATOM 748 C THR A 48 5.437 -7.289 11.206 1.00 0.00 C ATOM 749 O THR A 48 5.438 -6.887 10.042 1.00 0.00 O ATOM 750 CB THR A 48 4.897 -6.205 13.388 1.00 0.00 C ATOM 751 OG1 THR A 48 3.729 -5.652 12.772 1.00 0.00 O ATOM 752 CG2 THR A 48 5.385 -5.277 14.489 1.00 0.00 C ATOM 0 H THR A 48 5.834 -4.634 11.255 1.00 0.00 H new ATOM 0 HA THR A 48 6.838 -6.939 12.795 1.00 0.00 H new ATOM 0 HB THR A 48 4.650 -7.170 13.831 1.00 0.00 H new ATOM 0 HG1 THR A 48 2.932 -5.943 13.262 1.00 0.00 H new ATOM 0 HG21 THR A 48 4.592 -5.136 15.224 1.00 0.00 H new ATOM 0 HG22 THR A 48 6.256 -5.716 14.975 1.00 0.00 H new ATOM 0 HG23 THR A 48 5.657 -4.313 14.059 1.00 0.00 H new ATOM 760 N ASP A 49 4.961 -8.478 11.559 1.00 0.00 N ATOM 761 CA ASP A 49 4.397 -9.398 10.579 1.00 0.00 C ATOM 762 C ASP A 49 3.053 -8.890 10.066 1.00 0.00 C ATOM 763 O ASP A 49 2.495 -9.432 9.112 1.00 0.00 O ATOM 764 CB ASP A 49 4.230 -10.790 11.191 1.00 0.00 C ATOM 765 CG ASP A 49 2.888 -10.965 11.874 1.00 0.00 C ATOM 766 OD1 ASP A 49 2.389 -9.983 12.464 1.00 0.00 O ATOM 767 OD2 ASP A 49 2.335 -12.083 11.817 1.00 0.00 O ATOM 0 H ASP A 49 4.955 -8.827 12.517 1.00 0.00 H new ATOM 0 HA ASP A 49 5.087 -9.460 9.737 1.00 0.00 H new ATOM 0 HB2 ASP A 49 4.338 -11.542 10.410 1.00 0.00 H new ATOM 0 HB3 ASP A 49 5.027 -10.964 11.913 1.00 0.00 H new ATOM 772 N THR A 50 2.538 -7.846 10.707 1.00 0.00 N ATOM 773 CA THR A 50 1.258 -7.265 10.319 1.00 0.00 C ATOM 774 C THR A 50 1.389 -5.768 10.064 1.00 0.00 C ATOM 775 O THR A 50 0.414 -5.099 9.719 1.00 0.00 O ATOM 776 CB THR A 50 0.184 -7.500 11.397 1.00 0.00 C ATOM 777 OG1 THR A 50 0.707 -7.172 12.689 1.00 0.00 O ATOM 778 CG2 THR A 50 -0.286 -8.947 11.387 1.00 0.00 C ATOM 0 H THR A 50 2.988 -7.385 11.498 1.00 0.00 H new ATOM 0 HA THR A 50 0.951 -7.762 9.399 1.00 0.00 H new ATOM 0 HB THR A 50 -0.668 -6.857 11.176 1.00 0.00 H new ATOM 0 HG1 THR A 50 0.018 -7.323 13.369 1.00 0.00 H new ATOM 0 HG21 THR A 50 -1.044 -9.089 12.157 1.00 0.00 H new ATOM 0 HG22 THR A 50 -0.710 -9.185 10.412 1.00 0.00 H new ATOM 0 HG23 THR A 50 0.560 -9.606 11.585 1.00 0.00 H new ATOM 786 N LEU A 51 2.598 -5.246 10.236 1.00 0.00 N ATOM 787 CA LEU A 51 2.856 -3.826 10.025 1.00 0.00 C ATOM 788 C LEU A 51 4.075 -3.622 9.131 1.00 0.00 C ATOM 789 O LEU A 51 4.958 -4.478 9.061 1.00 0.00 O ATOM 790 CB LEU A 51 3.069 -3.121 11.365 1.00 0.00 C ATOM 791 CG LEU A 51 1.957 -3.298 12.400 1.00 0.00 C ATOM 792 CD1 LEU A 51 2.430 -2.848 13.774 1.00 0.00 C ATOM 793 CD2 LEU A 51 0.713 -2.527 11.984 1.00 0.00 C ATOM 0 H LEU A 51 3.416 -5.785 10.521 1.00 0.00 H new ATOM 0 HA LEU A 51 1.987 -3.394 9.529 1.00 0.00 H new ATOM 0 HB2 LEU A 51 4.002 -3.481 11.798 1.00 0.00 H new ATOM 0 HB3 LEU A 51 3.196 -2.055 11.176 1.00 0.00 H new ATOM 0 HG LEU A 51 1.703 -4.357 12.454 1.00 0.00 H new ATOM 0 HD11 LEU A 51 1.626 -2.981 14.497 1.00 0.00 H new ATOM 0 HD12 LEU A 51 3.291 -3.444 14.075 1.00 0.00 H new ATOM 0 HD13 LEU A 51 2.712 -1.796 13.735 1.00 0.00 H new ATOM 0 HD21 LEU A 51 -0.068 -2.665 12.732 1.00 0.00 H new ATOM 0 HD22 LEU A 51 0.953 -1.467 11.901 1.00 0.00 H new ATOM 0 HD23 LEU A 51 0.361 -2.896 11.021 1.00 0.00 H new ATOM 805 N VAL A 52 4.119 -2.481 8.451 1.00 0.00 N ATOM 806 CA VAL A 52 5.232 -2.161 7.564 1.00 0.00 C ATOM 807 C VAL A 52 5.338 -0.658 7.335 1.00 0.00 C ATOM 808 O VAL A 52 4.338 0.014 7.086 1.00 0.00 O ATOM 809 CB VAL A 52 5.085 -2.868 6.203 1.00 0.00 C ATOM 810 CG1 VAL A 52 6.041 -2.267 5.183 1.00 0.00 C ATOM 811 CG2 VAL A 52 5.322 -4.363 6.351 1.00 0.00 C ATOM 0 H VAL A 52 3.397 -1.762 8.497 1.00 0.00 H new ATOM 0 HA VAL A 52 6.139 -2.515 8.053 1.00 0.00 H new ATOM 0 HB VAL A 52 4.067 -2.718 5.844 1.00 0.00 H new ATOM 0 HG11 VAL A 52 5.923 -2.779 4.228 1.00 0.00 H new ATOM 0 HG12 VAL A 52 5.819 -1.207 5.057 1.00 0.00 H new ATOM 0 HG13 VAL A 52 7.067 -2.384 5.533 1.00 0.00 H new ATOM 0 HG21 VAL A 52 5.214 -4.846 5.380 1.00 0.00 H new ATOM 0 HG22 VAL A 52 6.328 -4.536 6.733 1.00 0.00 H new ATOM 0 HG23 VAL A 52 4.594 -4.780 7.047 1.00 0.00 H new ATOM 821 N GLU A 53 6.558 -0.137 7.420 1.00 0.00 N ATOM 822 CA GLU A 53 6.795 1.288 7.222 1.00 0.00 C ATOM 823 C GLU A 53 6.980 1.609 5.742 1.00 0.00 C ATOM 824 O GLU A 53 7.820 1.013 5.066 1.00 0.00 O ATOM 825 CB GLU A 53 8.027 1.738 8.011 1.00 0.00 C ATOM 826 CG GLU A 53 8.019 3.216 8.362 1.00 0.00 C ATOM 827 CD GLU A 53 9.054 3.572 9.411 1.00 0.00 C ATOM 828 OE1 GLU A 53 8.755 3.424 10.614 1.00 0.00 O ATOM 829 OE2 GLU A 53 10.164 3.998 9.028 1.00 0.00 O ATOM 0 H GLU A 53 7.397 -0.680 7.624 1.00 0.00 H new ATOM 0 HA GLU A 53 5.922 1.829 7.587 1.00 0.00 H new ATOM 0 HB2 GLU A 53 8.092 1.155 8.930 1.00 0.00 H new ATOM 0 HB3 GLU A 53 8.922 1.516 7.429 1.00 0.00 H new ATOM 0 HG2 GLU A 53 8.205 3.801 7.461 1.00 0.00 H new ATOM 0 HG3 GLU A 53 7.029 3.494 8.724 1.00 0.00 H new ATOM 836 N VAL A 54 6.190 2.554 5.243 1.00 0.00 N ATOM 837 CA VAL A 54 6.267 2.955 3.843 1.00 0.00 C ATOM 838 C VAL A 54 6.429 4.465 3.712 1.00 0.00 C ATOM 839 O VAL A 54 6.215 5.209 4.670 1.00 0.00 O ATOM 840 CB VAL A 54 5.013 2.515 3.064 1.00 0.00 C ATOM 841 CG1 VAL A 54 5.084 1.033 2.731 1.00 0.00 C ATOM 842 CG2 VAL A 54 3.754 2.832 3.859 1.00 0.00 C ATOM 0 H VAL A 54 5.489 3.057 5.787 1.00 0.00 H new ATOM 0 HA VAL A 54 7.141 2.461 3.420 1.00 0.00 H new ATOM 0 HB VAL A 54 4.974 3.072 2.128 1.00 0.00 H new ATOM 0 HG11 VAL A 54 4.190 0.740 2.181 1.00 0.00 H new ATOM 0 HG12 VAL A 54 5.966 0.839 2.120 1.00 0.00 H new ATOM 0 HG13 VAL A 54 5.148 0.456 3.653 1.00 0.00 H new ATOM 0 HG21 VAL A 54 2.877 2.515 3.294 1.00 0.00 H new ATOM 0 HG22 VAL A 54 3.783 2.303 4.812 1.00 0.00 H new ATOM 0 HG23 VAL A 54 3.699 3.905 4.041 1.00 0.00 H new ATOM 852 N LEU A 55 6.809 4.912 2.520 1.00 0.00 N ATOM 853 CA LEU A 55 7.001 6.335 2.263 1.00 0.00 C ATOM 854 C LEU A 55 6.090 6.812 1.136 1.00 0.00 C ATOM 855 O LEU A 55 6.166 6.317 0.010 1.00 0.00 O ATOM 856 CB LEU A 55 8.462 6.617 1.907 1.00 0.00 C ATOM 857 CG LEU A 55 8.711 7.827 1.005 1.00 0.00 C ATOM 858 CD1 LEU A 55 8.287 9.109 1.703 1.00 0.00 C ATOM 859 CD2 LEU A 55 10.177 7.897 0.602 1.00 0.00 C ATOM 0 H LEU A 55 6.990 4.310 1.717 1.00 0.00 H new ATOM 0 HA LEU A 55 6.743 6.881 3.170 1.00 0.00 H new ATOM 0 HB2 LEU A 55 9.020 6.758 2.833 1.00 0.00 H new ATOM 0 HB3 LEU A 55 8.873 5.734 1.418 1.00 0.00 H new ATOM 0 HG LEU A 55 8.111 7.714 0.102 1.00 0.00 H new ATOM 0 HD11 LEU A 55 8.472 9.959 1.046 1.00 0.00 H new ATOM 0 HD12 LEU A 55 7.225 9.059 1.942 1.00 0.00 H new ATOM 0 HD13 LEU A 55 8.860 9.230 2.622 1.00 0.00 H new ATOM 0 HD21 LEU A 55 10.337 8.764 -0.040 1.00 0.00 H new ATOM 0 HD22 LEU A 55 10.796 7.987 1.495 1.00 0.00 H new ATOM 0 HD23 LEU A 55 10.450 6.990 0.062 1.00 0.00 H new ATOM 871 N LEU A 56 5.230 7.776 1.445 1.00 0.00 N ATOM 872 CA LEU A 56 4.306 8.322 0.457 1.00 0.00 C ATOM 873 C LEU A 56 5.028 9.257 -0.507 1.00 0.00 C ATOM 874 O LEU A 56 4.577 10.374 -0.761 1.00 0.00 O ATOM 875 CB LEU A 56 3.168 9.070 1.154 1.00 0.00 C ATOM 876 CG LEU A 56 2.323 8.249 2.129 1.00 0.00 C ATOM 877 CD1 LEU A 56 1.040 8.989 2.477 1.00 0.00 C ATOM 878 CD2 LEU A 56 2.009 6.881 1.541 1.00 0.00 C ATOM 0 H LEU A 56 5.153 8.196 2.371 1.00 0.00 H new ATOM 0 HA LEU A 56 3.892 7.491 -0.114 1.00 0.00 H new ATOM 0 HB2 LEU A 56 3.593 9.915 1.696 1.00 0.00 H new ATOM 0 HB3 LEU A 56 2.508 9.481 0.390 1.00 0.00 H new ATOM 0 HG LEU A 56 2.896 8.106 3.045 1.00 0.00 H new ATOM 0 HD11 LEU A 56 0.451 8.390 3.172 1.00 0.00 H new ATOM 0 HD12 LEU A 56 1.285 9.945 2.940 1.00 0.00 H new ATOM 0 HD13 LEU A 56 0.463 9.163 1.569 1.00 0.00 H new ATOM 0 HD21 LEU A 56 1.407 6.310 2.248 1.00 0.00 H new ATOM 0 HD22 LEU A 56 1.456 7.003 0.610 1.00 0.00 H new ATOM 0 HD23 LEU A 56 2.939 6.348 1.343 1.00 0.00 H new ATOM 890 N TYR A 57 6.151 8.792 -1.043 1.00 0.00 N ATOM 891 CA TYR A 57 6.937 9.587 -1.980 1.00 0.00 C ATOM 892 C TYR A 57 6.033 10.463 -2.843 1.00 0.00 C ATOM 893 O TYR A 57 6.399 11.579 -3.210 1.00 0.00 O ATOM 894 CB TYR A 57 7.783 8.675 -2.870 1.00 0.00 C ATOM 895 CG TYR A 57 6.987 7.583 -3.549 1.00 0.00 C ATOM 896 CD1 TYR A 57 6.284 7.835 -4.721 1.00 0.00 C ATOM 897 CD2 TYR A 57 6.938 6.300 -3.019 1.00 0.00 C ATOM 898 CE1 TYR A 57 5.555 6.840 -5.344 1.00 0.00 C ATOM 899 CE2 TYR A 57 6.213 5.299 -3.636 1.00 0.00 C ATOM 900 CZ TYR A 57 5.523 5.574 -4.798 1.00 0.00 C ATOM 901 OH TYR A 57 4.799 4.581 -5.416 1.00 0.00 O ATOM 0 H TYR A 57 6.538 7.869 -0.845 1.00 0.00 H new ATOM 0 HA TYR A 57 7.597 10.235 -1.403 1.00 0.00 H new ATOM 0 HB2 TYR A 57 8.276 9.280 -3.631 1.00 0.00 H new ATOM 0 HB3 TYR A 57 8.568 8.219 -2.267 1.00 0.00 H new ATOM 0 HD1 TYR A 57 6.308 8.825 -5.152 1.00 0.00 H new ATOM 0 HD2 TYR A 57 7.476 6.081 -2.109 1.00 0.00 H new ATOM 0 HE1 TYR A 57 5.013 7.053 -6.254 1.00 0.00 H new ATOM 0 HE2 TYR A 57 6.187 4.307 -3.211 1.00 0.00 H new ATOM 0 HH TYR A 57 4.842 3.762 -4.879 1.00 0.00 H new ATOM 911 N ASP A 58 4.851 9.948 -3.162 1.00 0.00 N ATOM 912 CA ASP A 58 3.893 10.682 -3.980 1.00 0.00 C ATOM 913 C ASP A 58 3.683 12.092 -3.437 1.00 0.00 C ATOM 914 O ASP A 58 3.777 13.073 -4.174 1.00 0.00 O ATOM 915 CB ASP A 58 2.558 9.938 -4.032 1.00 0.00 C ATOM 916 CG ASP A 58 2.089 9.495 -2.660 1.00 0.00 C ATOM 917 OD1 ASP A 58 2.868 8.818 -1.956 1.00 0.00 O ATOM 918 OD2 ASP A 58 0.943 9.825 -2.290 1.00 0.00 O ATOM 0 H ASP A 58 4.533 9.025 -2.867 1.00 0.00 H new ATOM 0 HA ASP A 58 4.297 10.757 -4.989 1.00 0.00 H new ATOM 0 HB2 ASP A 58 1.803 10.584 -4.480 1.00 0.00 H new ATOM 0 HB3 ASP A 58 2.656 9.066 -4.678 1.00 0.00 H new ATOM 923 N VAL A 59 3.396 12.185 -2.142 1.00 0.00 N ATOM 924 CA VAL A 59 3.172 13.475 -1.500 1.00 0.00 C ATOM 925 C VAL A 59 4.406 13.926 -0.728 1.00 0.00 C ATOM 926 O VAL A 59 4.743 15.109 -0.711 1.00 0.00 O ATOM 927 CB VAL A 59 1.970 13.421 -0.538 1.00 0.00 C ATOM 928 CG1 VAL A 59 0.697 13.068 -1.293 1.00 0.00 C ATOM 929 CG2 VAL A 59 2.228 12.426 0.582 1.00 0.00 C ATOM 0 H VAL A 59 3.313 11.383 -1.517 1.00 0.00 H new ATOM 0 HA VAL A 59 2.962 14.192 -2.294 1.00 0.00 H new ATOM 0 HB VAL A 59 1.839 14.407 -0.093 1.00 0.00 H new ATOM 0 HG11 VAL A 59 -0.141 13.034 -0.597 1.00 0.00 H new ATOM 0 HG12 VAL A 59 0.505 13.823 -2.056 1.00 0.00 H new ATOM 0 HG13 VAL A 59 0.814 12.094 -1.768 1.00 0.00 H new ATOM 0 HG21 VAL A 59 1.368 12.401 1.252 1.00 0.00 H new ATOM 0 HG22 VAL A 59 2.387 11.434 0.158 1.00 0.00 H new ATOM 0 HG23 VAL A 59 3.114 12.728 1.140 1.00 0.00 H new ATOM 939 N GLY A 60 5.079 12.973 -0.089 1.00 0.00 N ATOM 940 CA GLY A 60 6.270 13.292 0.677 1.00 0.00 C ATOM 941 C GLY A 60 6.068 13.108 2.168 1.00 0.00 C ATOM 942 O GLY A 60 6.560 13.900 2.971 1.00 0.00 O ATOM 0 H GLY A 60 4.821 11.986 -0.088 1.00 0.00 H new ATOM 0 HA2 GLY A 60 7.092 12.659 0.344 1.00 0.00 H new ATOM 0 HA3 GLY A 60 6.561 14.323 0.478 1.00 0.00 H new ATOM 946 N VAL A 61 5.340 12.059 2.539 1.00 0.00 N ATOM 947 CA VAL A 61 5.073 11.773 3.943 1.00 0.00 C ATOM 948 C VAL A 61 5.375 10.315 4.274 1.00 0.00 C ATOM 949 O VAL A 61 4.858 9.403 3.629 1.00 0.00 O ATOM 950 CB VAL A 61 3.609 12.078 4.310 1.00 0.00 C ATOM 951 CG1 VAL A 61 3.266 11.495 5.672 1.00 0.00 C ATOM 952 CG2 VAL A 61 3.356 13.578 4.285 1.00 0.00 C ATOM 0 H VAL A 61 4.925 11.394 1.887 1.00 0.00 H new ATOM 0 HA VAL A 61 5.728 12.419 4.527 1.00 0.00 H new ATOM 0 HB VAL A 61 2.962 11.610 3.568 1.00 0.00 H new ATOM 0 HG11 VAL A 61 2.227 11.721 5.913 1.00 0.00 H new ATOM 0 HG12 VAL A 61 3.407 10.414 5.651 1.00 0.00 H new ATOM 0 HG13 VAL A 61 3.918 11.931 6.429 1.00 0.00 H new ATOM 0 HG21 VAL A 61 2.317 13.776 4.547 1.00 0.00 H new ATOM 0 HG22 VAL A 61 4.011 14.070 5.004 1.00 0.00 H new ATOM 0 HG23 VAL A 61 3.559 13.965 3.286 1.00 0.00 H new ATOM 962 N GLU A 62 6.214 10.104 5.283 1.00 0.00 N ATOM 963 CA GLU A 62 6.584 8.756 5.699 1.00 0.00 C ATOM 964 C GLU A 62 5.670 8.261 6.816 1.00 0.00 C ATOM 965 O GLU A 62 5.631 8.837 7.904 1.00 0.00 O ATOM 966 CB GLU A 62 8.041 8.725 6.166 1.00 0.00 C ATOM 967 CG GLU A 62 9.026 9.220 5.120 1.00 0.00 C ATOM 968 CD GLU A 62 9.276 10.712 5.214 1.00 0.00 C ATOM 969 OE1 GLU A 62 9.838 11.157 6.237 1.00 0.00 O ATOM 970 OE2 GLU A 62 8.910 11.435 4.264 1.00 0.00 O ATOM 0 H GLU A 62 6.650 10.848 5.827 1.00 0.00 H new ATOM 0 HA GLU A 62 6.471 8.094 4.840 1.00 0.00 H new ATOM 0 HB2 GLU A 62 8.139 9.336 7.063 1.00 0.00 H new ATOM 0 HB3 GLU A 62 8.303 7.704 6.445 1.00 0.00 H new ATOM 0 HG2 GLU A 62 9.971 8.689 5.236 1.00 0.00 H new ATOM 0 HG3 GLU A 62 8.646 8.981 4.127 1.00 0.00 H new ATOM 977 N LEU A 63 4.934 7.190 6.539 1.00 0.00 N ATOM 978 CA LEU A 63 4.018 6.617 7.519 1.00 0.00 C ATOM 979 C LEU A 63 4.069 5.092 7.484 1.00 0.00 C ATOM 980 O LEU A 63 4.730 4.502 6.630 1.00 0.00 O ATOM 981 CB LEU A 63 2.590 7.097 7.255 1.00 0.00 C ATOM 982 CG LEU A 63 1.728 6.189 6.377 1.00 0.00 C ATOM 983 CD1 LEU A 63 0.289 6.680 6.353 1.00 0.00 C ATOM 984 CD2 LEU A 63 2.293 6.119 4.966 1.00 0.00 C ATOM 0 H LEU A 63 4.954 6.701 5.644 1.00 0.00 H new ATOM 0 HA LEU A 63 4.329 6.951 8.509 1.00 0.00 H new ATOM 0 HB2 LEU A 63 2.088 7.225 8.214 1.00 0.00 H new ATOM 0 HB3 LEU A 63 2.639 8.080 6.788 1.00 0.00 H new ATOM 0 HG LEU A 63 1.741 5.185 6.802 1.00 0.00 H new ATOM 0 HD11 LEU A 63 -0.310 6.022 5.723 1.00 0.00 H new ATOM 0 HD12 LEU A 63 -0.113 6.678 7.366 1.00 0.00 H new ATOM 0 HD13 LEU A 63 0.257 7.693 5.952 1.00 0.00 H new ATOM 0 HD21 LEU A 63 1.667 5.469 4.355 1.00 0.00 H new ATOM 0 HD22 LEU A 63 2.311 7.118 4.531 1.00 0.00 H new ATOM 0 HD23 LEU A 63 3.307 5.720 4.999 1.00 0.00 H new ATOM 996 N VAL A 64 3.363 4.461 8.416 1.00 0.00 N ATOM 997 CA VAL A 64 3.324 3.005 8.491 1.00 0.00 C ATOM 998 C VAL A 64 1.889 2.492 8.468 1.00 0.00 C ATOM 999 O VAL A 64 1.068 2.875 9.301 1.00 0.00 O ATOM 1000 CB VAL A 64 4.022 2.489 9.763 1.00 0.00 C ATOM 1001 CG1 VAL A 64 3.706 3.389 10.948 1.00 0.00 C ATOM 1002 CG2 VAL A 64 3.613 1.052 10.049 1.00 0.00 C ATOM 0 H VAL A 64 2.810 4.935 9.130 1.00 0.00 H new ATOM 0 HA VAL A 64 3.855 2.629 7.617 1.00 0.00 H new ATOM 0 HB VAL A 64 5.099 2.510 9.600 1.00 0.00 H new ATOM 0 HG11 VAL A 64 4.208 3.009 11.838 1.00 0.00 H new ATOM 0 HG12 VAL A 64 4.054 4.401 10.740 1.00 0.00 H new ATOM 0 HG13 VAL A 64 2.629 3.403 11.117 1.00 0.00 H new ATOM 0 HG21 VAL A 64 4.116 0.703 10.951 1.00 0.00 H new ATOM 0 HG22 VAL A 64 2.534 1.003 10.193 1.00 0.00 H new ATOM 0 HG23 VAL A 64 3.896 0.419 9.208 1.00 0.00 H new ATOM 1012 N VAL A 65 1.592 1.621 7.508 1.00 0.00 N ATOM 1013 CA VAL A 65 0.256 1.053 7.377 1.00 0.00 C ATOM 1014 C VAL A 65 0.283 -0.461 7.556 1.00 0.00 C ATOM 1015 O VAL A 65 1.344 -1.082 7.523 1.00 0.00 O ATOM 1016 CB VAL A 65 -0.364 1.386 6.007 1.00 0.00 C ATOM 1017 CG1 VAL A 65 -0.321 2.885 5.752 1.00 0.00 C ATOM 1018 CG2 VAL A 65 0.353 0.627 4.900 1.00 0.00 C ATOM 0 H VAL A 65 2.259 1.294 6.810 1.00 0.00 H new ATOM 0 HA VAL A 65 -0.356 1.498 8.162 1.00 0.00 H new ATOM 0 HB VAL A 65 -1.408 1.073 6.013 1.00 0.00 H new ATOM 0 HG11 VAL A 65 -0.763 3.101 4.780 1.00 0.00 H new ATOM 0 HG12 VAL A 65 -0.883 3.403 6.529 1.00 0.00 H new ATOM 0 HG13 VAL A 65 0.714 3.227 5.764 1.00 0.00 H new ATOM 0 HG21 VAL A 65 -0.098 0.874 3.939 1.00 0.00 H new ATOM 0 HG22 VAL A 65 1.406 0.908 4.890 1.00 0.00 H new ATOM 0 HG23 VAL A 65 0.265 -0.445 5.078 1.00 0.00 H new ATOM 1028 N ASN A 66 -0.894 -1.050 7.747 1.00 0.00 N ATOM 1029 CA ASN A 66 -1.006 -2.492 7.931 1.00 0.00 C ATOM 1030 C ASN A 66 -0.937 -3.219 6.592 1.00 0.00 C ATOM 1031 O ASN A 66 -1.599 -2.831 5.628 1.00 0.00 O ATOM 1032 CB ASN A 66 -2.315 -2.835 8.644 1.00 0.00 C ATOM 1033 CG ASN A 66 -2.203 -4.091 9.487 1.00 0.00 C ATOM 1034 OD1 ASN A 66 -1.662 -4.063 10.593 1.00 0.00 O ATOM 1035 ND2 ASN A 66 -2.714 -5.201 8.967 1.00 0.00 N ATOM 0 H ASN A 66 -1.783 -0.551 7.778 1.00 0.00 H new ATOM 0 HA ASN A 66 -0.168 -2.821 8.545 1.00 0.00 H new ATOM 0 HB2 ASN A 66 -2.609 -2.000 9.279 1.00 0.00 H new ATOM 0 HB3 ASN A 66 -3.105 -2.966 7.904 1.00 0.00 H new ATOM 0 HD21 ASN A 66 -2.667 -6.077 9.488 1.00 0.00 H new ATOM 0 HD22 ASN A 66 -3.153 -5.178 8.047 1.00 0.00 H new ATOM 1042 N VAL A 67 -0.133 -4.275 6.539 1.00 0.00 N ATOM 1043 CA VAL A 67 0.022 -5.058 5.318 1.00 0.00 C ATOM 1044 C VAL A 67 -1.334 -5.463 4.750 1.00 0.00 C ATOM 1045 O VAL A 67 -1.460 -5.744 3.558 1.00 0.00 O ATOM 1046 CB VAL A 67 0.862 -6.325 5.567 1.00 0.00 C ATOM 1047 CG1 VAL A 67 2.313 -5.959 5.839 1.00 0.00 C ATOM 1048 CG2 VAL A 67 0.281 -7.131 6.719 1.00 0.00 C ATOM 0 H VAL A 67 0.422 -4.609 7.327 1.00 0.00 H new ATOM 0 HA VAL A 67 0.540 -4.424 4.598 1.00 0.00 H new ATOM 0 HB VAL A 67 0.831 -6.943 4.670 1.00 0.00 H new ATOM 0 HG11 VAL A 67 2.891 -6.867 6.013 1.00 0.00 H new ATOM 0 HG12 VAL A 67 2.721 -5.428 4.979 1.00 0.00 H new ATOM 0 HG13 VAL A 67 2.368 -5.320 6.720 1.00 0.00 H new ATOM 0 HG21 VAL A 67 0.887 -8.023 6.881 1.00 0.00 H new ATOM 0 HG22 VAL A 67 0.280 -6.523 7.624 1.00 0.00 H new ATOM 0 HG23 VAL A 67 -0.741 -7.425 6.478 1.00 0.00 H new ATOM 1058 N ASP A 68 -2.345 -5.491 5.611 1.00 0.00 N ATOM 1059 CA ASP A 68 -3.693 -5.860 5.195 1.00 0.00 C ATOM 1060 C ASP A 68 -4.239 -4.866 4.174 1.00 0.00 C ATOM 1061 O ASP A 68 -4.986 -5.238 3.269 1.00 0.00 O ATOM 1062 CB ASP A 68 -4.624 -5.928 6.407 1.00 0.00 C ATOM 1063 CG ASP A 68 -6.050 -6.267 6.024 1.00 0.00 C ATOM 1064 OD1 ASP A 68 -6.675 -5.469 5.294 1.00 0.00 O ATOM 1065 OD2 ASP A 68 -6.543 -7.331 6.454 1.00 0.00 O ATOM 0 H ASP A 68 -2.257 -5.263 6.601 1.00 0.00 H new ATOM 0 HA ASP A 68 -3.645 -6.844 4.728 1.00 0.00 H new ATOM 0 HB2 ASP A 68 -4.251 -6.677 7.106 1.00 0.00 H new ATOM 0 HB3 ASP A 68 -4.609 -4.970 6.927 1.00 0.00 H new ATOM 1070 N CYS A 69 -3.860 -3.602 4.327 1.00 0.00 N ATOM 1071 CA CYS A 69 -4.313 -2.554 3.419 1.00 0.00 C ATOM 1072 C CYS A 69 -3.414 -2.474 2.190 1.00 0.00 C ATOM 1073 O CYS A 69 -3.851 -2.063 1.114 1.00 0.00 O ATOM 1074 CB CYS A 69 -4.337 -1.204 4.138 1.00 0.00 C ATOM 1075 SG CYS A 69 -5.874 -0.868 5.029 1.00 0.00 S ATOM 0 H CYS A 69 -3.241 -3.278 5.070 1.00 0.00 H new ATOM 0 HA CYS A 69 -5.323 -2.801 3.092 1.00 0.00 H new ATOM 0 HB2 CYS A 69 -3.506 -1.165 4.842 1.00 0.00 H new ATOM 0 HB3 CYS A 69 -4.173 -0.412 3.407 1.00 0.00 H new ATOM 0 HG CYS A 69 -5.796 0.295 5.605 1.00 0.00 H new ATOM 1081 N LEU A 70 -2.157 -2.867 2.356 1.00 0.00 N ATOM 1082 CA LEU A 70 -1.194 -2.839 1.260 1.00 0.00 C ATOM 1083 C LEU A 70 -1.683 -3.679 0.085 1.00 0.00 C ATOM 1084 O LEU A 70 -2.319 -4.717 0.272 1.00 0.00 O ATOM 1085 CB LEU A 70 0.167 -3.350 1.737 1.00 0.00 C ATOM 1086 CG LEU A 70 0.984 -2.383 2.594 1.00 0.00 C ATOM 1087 CD1 LEU A 70 2.293 -3.027 3.023 1.00 0.00 C ATOM 1088 CD2 LEU A 70 1.246 -1.090 1.837 1.00 0.00 C ATOM 0 H LEU A 70 -1.780 -3.209 3.240 1.00 0.00 H new ATOM 0 HA LEU A 70 -1.090 -1.807 0.926 1.00 0.00 H new ATOM 0 HB2 LEU A 70 0.009 -4.265 2.307 1.00 0.00 H new ATOM 0 HB3 LEU A 70 0.759 -3.618 0.862 1.00 0.00 H new ATOM 0 HG LEU A 70 0.409 -2.145 3.489 1.00 0.00 H new ATOM 0 HD11 LEU A 70 2.862 -2.324 3.632 1.00 0.00 H new ATOM 0 HD12 LEU A 70 2.083 -3.925 3.605 1.00 0.00 H new ATOM 0 HD13 LEU A 70 2.874 -3.294 2.140 1.00 0.00 H new ATOM 0 HD21 LEU A 70 1.829 -0.414 2.463 1.00 0.00 H new ATOM 0 HD22 LEU A 70 1.801 -1.309 0.924 1.00 0.00 H new ATOM 0 HD23 LEU A 70 0.297 -0.620 1.581 1.00 0.00 H new ATOM 1100 N ARG A 71 -1.380 -3.225 -1.127 1.00 0.00 N ATOM 1101 CA ARG A 71 -1.787 -3.936 -2.333 1.00 0.00 C ATOM 1102 C ARG A 71 -0.680 -3.905 -3.382 1.00 0.00 C ATOM 1103 O ARG A 71 -0.031 -2.879 -3.587 1.00 0.00 O ATOM 1104 CB ARG A 71 -3.065 -3.320 -2.907 1.00 0.00 C ATOM 1105 CG ARG A 71 -4.314 -3.656 -2.109 1.00 0.00 C ATOM 1106 CD ARG A 71 -4.823 -5.052 -2.433 1.00 0.00 C ATOM 1107 NE ARG A 71 -5.205 -5.183 -3.837 1.00 0.00 N ATOM 1108 CZ ARG A 71 -4.371 -5.579 -4.792 1.00 0.00 C ATOM 1109 NH1 ARG A 71 -3.115 -5.882 -4.495 1.00 0.00 N ATOM 1110 NH2 ARG A 71 -4.794 -5.673 -6.046 1.00 0.00 N ATOM 0 H ARG A 71 -0.854 -2.368 -1.300 1.00 0.00 H new ATOM 0 HA ARG A 71 -1.981 -4.974 -2.064 1.00 0.00 H new ATOM 0 HB2 ARG A 71 -2.950 -2.237 -2.947 1.00 0.00 H new ATOM 0 HB3 ARG A 71 -3.196 -3.665 -3.933 1.00 0.00 H new ATOM 0 HG2 ARG A 71 -4.096 -3.585 -1.043 1.00 0.00 H new ATOM 0 HG3 ARG A 71 -5.093 -2.924 -2.325 1.00 0.00 H new ATOM 0 HD2 ARG A 71 -4.050 -5.783 -2.198 1.00 0.00 H new ATOM 0 HD3 ARG A 71 -5.681 -5.281 -1.801 1.00 0.00 H new ATOM 0 HE ARG A 71 -6.165 -4.958 -4.098 1.00 0.00 H new ATOM 0 HH11 ARG A 71 -2.787 -5.811 -3.532 1.00 0.00 H new ATOM 0 HH12 ARG A 71 -2.476 -6.186 -5.230 1.00 0.00 H new ATOM 0 HH21 ARG A 71 -5.760 -5.441 -6.277 1.00 0.00 H new ATOM 0 HH22 ARG A 71 -4.153 -5.977 -6.779 1.00 0.00 H new ATOM 1124 N LYS A 72 -0.468 -5.038 -4.044 1.00 0.00 N ATOM 1125 CA LYS A 72 0.560 -5.142 -5.073 1.00 0.00 C ATOM 1126 C LYS A 72 0.289 -4.166 -6.214 1.00 0.00 C ATOM 1127 O LYS A 72 -0.839 -4.055 -6.695 1.00 0.00 O ATOM 1128 CB LYS A 72 0.624 -6.572 -5.615 1.00 0.00 C ATOM 1129 CG LYS A 72 1.593 -7.466 -4.861 1.00 0.00 C ATOM 1130 CD LYS A 72 2.986 -7.412 -5.463 1.00 0.00 C ATOM 1131 CE LYS A 72 3.730 -8.724 -5.267 1.00 0.00 C ATOM 1132 NZ LYS A 72 5.203 -8.520 -5.180 1.00 0.00 N ATOM 0 H LYS A 72 -0.995 -5.897 -3.886 1.00 0.00 H new ATOM 0 HA LYS A 72 1.519 -4.887 -4.621 1.00 0.00 H new ATOM 0 HB2 LYS A 72 -0.372 -7.013 -5.572 1.00 0.00 H new ATOM 0 HB3 LYS A 72 0.914 -6.541 -6.665 1.00 0.00 H new ATOM 0 HG2 LYS A 72 1.635 -7.158 -3.816 1.00 0.00 H new ATOM 0 HG3 LYS A 72 1.229 -8.493 -4.876 1.00 0.00 H new ATOM 0 HD2 LYS A 72 2.915 -7.189 -6.527 1.00 0.00 H new ATOM 0 HD3 LYS A 72 3.551 -6.600 -5.004 1.00 0.00 H new ATOM 0 HE2 LYS A 72 3.376 -9.209 -4.357 1.00 0.00 H new ATOM 0 HE3 LYS A 72 3.505 -9.396 -6.095 1.00 0.00 H new ATOM 0 HZ1 LYS A 72 5.673 -9.438 -5.047 1.00 0.00 H new ATOM 0 HZ2 LYS A 72 5.545 -8.080 -6.058 1.00 0.00 H new ATOM 0 HZ3 LYS A 72 5.421 -7.899 -4.374 1.00 0.00 H new ATOM 1146 N LEU A 73 1.331 -3.463 -6.644 1.00 0.00 N ATOM 1147 CA LEU A 73 1.206 -2.497 -7.730 1.00 0.00 C ATOM 1148 C LEU A 73 1.094 -3.204 -9.077 1.00 0.00 C ATOM 1149 O LEU A 73 2.084 -3.705 -9.609 1.00 0.00 O ATOM 1150 CB LEU A 73 2.406 -1.549 -7.737 1.00 0.00 C ATOM 1151 CG LEU A 73 2.144 -0.138 -8.263 1.00 0.00 C ATOM 1152 CD1 LEU A 73 1.258 0.635 -7.299 1.00 0.00 C ATOM 1153 CD2 LEU A 73 3.456 0.599 -8.490 1.00 0.00 C ATOM 0 H LEU A 73 2.271 -3.544 -6.257 1.00 0.00 H new ATOM 0 HA LEU A 73 0.296 -1.920 -7.567 1.00 0.00 H new ATOM 0 HB2 LEU A 73 2.787 -1.470 -6.719 1.00 0.00 H new ATOM 0 HB3 LEU A 73 3.195 -1.999 -8.339 1.00 0.00 H new ATOM 0 HG LEU A 73 1.625 -0.218 -9.218 1.00 0.00 H new ATOM 0 HD11 LEU A 73 1.082 1.637 -7.690 1.00 0.00 H new ATOM 0 HD12 LEU A 73 0.305 0.118 -7.186 1.00 0.00 H new ATOM 0 HD13 LEU A 73 1.750 0.705 -6.329 1.00 0.00 H new ATOM 0 HD21 LEU A 73 3.250 1.602 -8.864 1.00 0.00 H new ATOM 0 HD22 LEU A 73 4.002 0.668 -7.549 1.00 0.00 H new ATOM 0 HD23 LEU A 73 4.057 0.056 -9.219 1.00 0.00 H new ATOM 1165 N GLU A 74 -0.118 -3.238 -9.623 1.00 0.00 N ATOM 1166 CA GLU A 74 -0.358 -3.882 -10.909 1.00 0.00 C ATOM 1167 C GLU A 74 -0.030 -2.937 -12.061 1.00 0.00 C ATOM 1168 O GLU A 74 -0.358 -1.751 -12.016 1.00 0.00 O ATOM 1169 CB GLU A 74 -1.813 -4.343 -11.010 1.00 0.00 C ATOM 1170 CG GLU A 74 -2.085 -5.661 -10.306 1.00 0.00 C ATOM 1171 CD GLU A 74 -1.710 -6.863 -11.151 1.00 0.00 C ATOM 1172 OE1 GLU A 74 -1.775 -6.758 -12.394 1.00 0.00 O ATOM 1173 OE2 GLU A 74 -1.352 -7.908 -10.570 1.00 0.00 O ATOM 0 H GLU A 74 -0.948 -2.827 -9.195 1.00 0.00 H new ATOM 0 HA GLU A 74 0.296 -4.751 -10.979 1.00 0.00 H new ATOM 0 HB2 GLU A 74 -2.459 -3.574 -10.586 1.00 0.00 H new ATOM 0 HB3 GLU A 74 -2.082 -4.440 -12.062 1.00 0.00 H new ATOM 0 HG2 GLU A 74 -1.526 -5.691 -9.371 1.00 0.00 H new ATOM 0 HG3 GLU A 74 -3.142 -5.719 -10.048 1.00 0.00 H new ATOM 1180 N GLU A 75 0.618 -3.470 -13.091 1.00 0.00 N ATOM 1181 CA GLU A 75 0.991 -2.673 -14.254 1.00 0.00 C ATOM 1182 C GLU A 75 -0.213 -1.910 -14.799 1.00 0.00 C ATOM 1183 O GLU A 75 -0.100 -0.748 -15.188 1.00 0.00 O ATOM 1184 CB GLU A 75 1.578 -3.569 -15.347 1.00 0.00 C ATOM 1185 CG GLU A 75 2.231 -2.797 -16.481 1.00 0.00 C ATOM 1186 CD GLU A 75 2.612 -3.687 -17.649 1.00 0.00 C ATOM 1187 OE1 GLU A 75 1.716 -4.042 -18.442 1.00 0.00 O ATOM 1188 OE2 GLU A 75 3.808 -4.027 -17.768 1.00 0.00 O ATOM 0 H GLU A 75 0.896 -4.450 -13.144 1.00 0.00 H new ATOM 0 HA GLU A 75 1.746 -1.951 -13.941 1.00 0.00 H new ATOM 0 HB2 GLU A 75 2.316 -4.236 -14.901 1.00 0.00 H new ATOM 0 HB3 GLU A 75 0.786 -4.197 -15.755 1.00 0.00 H new ATOM 0 HG2 GLU A 75 1.548 -2.021 -16.828 1.00 0.00 H new ATOM 0 HG3 GLU A 75 3.122 -2.293 -16.107 1.00 0.00 H new ATOM 1195 N ASN A 76 -1.365 -2.573 -14.824 1.00 0.00 N ATOM 1196 CA ASN A 76 -2.590 -1.958 -15.322 1.00 0.00 C ATOM 1197 C ASN A 76 -2.790 -0.573 -14.714 1.00 0.00 C ATOM 1198 O ASN A 76 -3.031 0.402 -15.427 1.00 0.00 O ATOM 1199 CB ASN A 76 -3.796 -2.845 -15.006 1.00 0.00 C ATOM 1200 CG ASN A 76 -5.114 -2.134 -15.243 1.00 0.00 C ATOM 1201 OD1 ASN A 76 -6.000 -2.146 -14.388 1.00 0.00 O ATOM 1202 ND2 ASN A 76 -5.250 -1.511 -16.407 1.00 0.00 N ATOM 0 H ASN A 76 -1.476 -3.536 -14.505 1.00 0.00 H new ATOM 0 HA ASN A 76 -2.499 -1.851 -16.403 1.00 0.00 H new ATOM 0 HB2 ASN A 76 -3.755 -3.743 -15.622 1.00 0.00 H new ATOM 0 HB3 ASN A 76 -3.743 -3.169 -13.967 1.00 0.00 H new ATOM 0 HD21 ASN A 76 -6.115 -1.016 -16.622 1.00 0.00 H new ATOM 0 HD22 ASN A 76 -4.489 -1.527 -17.086 1.00 0.00 H new ATOM 1209 N LEU A 77 -2.687 -0.494 -13.392 1.00 0.00 N ATOM 1210 CA LEU A 77 -2.855 0.772 -12.686 1.00 0.00 C ATOM 1211 C LEU A 77 -1.503 1.391 -12.348 1.00 0.00 C ATOM 1212 O LEU A 77 -1.373 2.133 -11.374 1.00 0.00 O ATOM 1213 CB LEU A 77 -3.666 0.561 -11.407 1.00 0.00 C ATOM 1214 CG LEU A 77 -4.972 -0.221 -11.560 1.00 0.00 C ATOM 1215 CD1 LEU A 77 -5.412 -0.792 -10.222 1.00 0.00 C ATOM 1216 CD2 LEU A 77 -6.059 0.667 -12.148 1.00 0.00 C ATOM 0 H LEU A 77 -2.488 -1.291 -12.787 1.00 0.00 H new ATOM 0 HA LEU A 77 -3.393 1.457 -13.342 1.00 0.00 H new ATOM 0 HB2 LEU A 77 -3.037 0.041 -10.684 1.00 0.00 H new ATOM 0 HB3 LEU A 77 -3.899 1.538 -10.983 1.00 0.00 H new ATOM 0 HG LEU A 77 -4.799 -1.051 -12.245 1.00 0.00 H new ATOM 0 HD11 LEU A 77 -6.343 -1.345 -10.351 1.00 0.00 H new ATOM 0 HD12 LEU A 77 -4.641 -1.462 -9.841 1.00 0.00 H new ATOM 0 HD13 LEU A 77 -5.568 0.021 -9.513 1.00 0.00 H new ATOM 0 HD21 LEU A 77 -6.981 0.095 -12.250 1.00 0.00 H new ATOM 0 HD22 LEU A 77 -6.231 1.517 -11.488 1.00 0.00 H new ATOM 0 HD23 LEU A 77 -5.745 1.026 -13.128 1.00 0.00 H new ATOM 1228 N LYS A 78 -0.498 1.084 -13.161 1.00 0.00 N ATOM 1229 CA LYS A 78 0.845 1.612 -12.952 1.00 0.00 C ATOM 1230 C LYS A 78 1.230 2.578 -14.068 1.00 0.00 C ATOM 1231 O LYS A 78 1.807 3.637 -13.816 1.00 0.00 O ATOM 1232 CB LYS A 78 1.860 0.469 -12.880 1.00 0.00 C ATOM 1233 CG LYS A 78 3.062 0.777 -12.004 1.00 0.00 C ATOM 1234 CD LYS A 78 4.175 1.439 -12.798 1.00 0.00 C ATOM 1235 CE LYS A 78 5.543 1.121 -12.213 1.00 0.00 C ATOM 1236 NZ LYS A 78 6.522 2.215 -12.463 1.00 0.00 N ATOM 0 H LYS A 78 -0.588 0.472 -13.972 1.00 0.00 H new ATOM 0 HA LYS A 78 0.851 2.155 -12.007 1.00 0.00 H new ATOM 0 HB2 LYS A 78 1.363 -0.424 -12.500 1.00 0.00 H new ATOM 0 HB3 LYS A 78 2.205 0.237 -13.887 1.00 0.00 H new ATOM 0 HG2 LYS A 78 2.759 1.430 -11.186 1.00 0.00 H new ATOM 0 HG3 LYS A 78 3.432 -0.145 -11.555 1.00 0.00 H new ATOM 0 HD2 LYS A 78 4.134 1.102 -13.834 1.00 0.00 H new ATOM 0 HD3 LYS A 78 4.024 2.518 -12.807 1.00 0.00 H new ATOM 0 HE2 LYS A 78 5.449 0.956 -11.140 1.00 0.00 H new ATOM 0 HE3 LYS A 78 5.917 0.193 -12.647 1.00 0.00 H new ATOM 0 HZ1 LYS A 78 7.441 1.960 -12.049 1.00 0.00 H new ATOM 0 HZ2 LYS A 78 6.631 2.356 -13.488 1.00 0.00 H new ATOM 0 HZ3 LYS A 78 6.178 3.095 -12.027 1.00 0.00 H new ATOM 1250 N THR A 79 0.905 2.208 -15.303 1.00 0.00 N ATOM 1251 CA THR A 79 1.216 3.042 -16.457 1.00 0.00 C ATOM 1252 C THR A 79 -0.007 3.831 -16.911 1.00 0.00 C ATOM 1253 O THR A 79 -0.286 3.928 -18.105 1.00 0.00 O ATOM 1254 CB THR A 79 1.734 2.197 -17.637 1.00 0.00 C ATOM 1255 OG1 THR A 79 0.777 1.187 -17.973 1.00 0.00 O ATOM 1256 CG2 THR A 79 3.066 1.547 -17.293 1.00 0.00 C ATOM 0 H THR A 79 0.426 1.336 -15.529 1.00 0.00 H new ATOM 0 HA THR A 79 1.997 3.735 -16.145 1.00 0.00 H new ATOM 0 HB THR A 79 1.880 2.857 -18.492 1.00 0.00 H new ATOM 0 HG1 THR A 79 1.113 0.655 -18.725 1.00 0.00 H new ATOM 0 HG21 THR A 79 3.412 0.956 -18.141 1.00 0.00 H new ATOM 0 HG22 THR A 79 3.800 2.320 -17.066 1.00 0.00 H new ATOM 0 HG23 THR A 79 2.941 0.899 -16.425 1.00 0.00 H new ATOM 1264 N MET A 80 -0.732 4.394 -15.950 1.00 0.00 N ATOM 1265 CA MET A 80 -1.924 5.177 -16.252 1.00 0.00 C ATOM 1266 C MET A 80 -1.586 6.660 -16.369 1.00 0.00 C ATOM 1267 O MET A 80 -0.881 7.214 -15.526 1.00 0.00 O ATOM 1268 CB MET A 80 -2.986 4.968 -15.170 1.00 0.00 C ATOM 1269 CG MET A 80 -4.311 5.646 -15.480 1.00 0.00 C ATOM 1270 SD MET A 80 -5.437 5.644 -14.072 1.00 0.00 S ATOM 1271 CE MET A 80 -6.117 3.991 -14.184 1.00 0.00 C ATOM 0 H MET A 80 -0.515 4.322 -14.956 1.00 0.00 H new ATOM 0 HA MET A 80 -2.319 4.836 -17.209 1.00 0.00 H new ATOM 0 HB2 MET A 80 -3.156 3.899 -15.041 1.00 0.00 H new ATOM 0 HB3 MET A 80 -2.606 5.348 -14.221 1.00 0.00 H new ATOM 0 HG2 MET A 80 -4.125 6.674 -15.790 1.00 0.00 H new ATOM 0 HG3 MET A 80 -4.786 5.140 -16.321 1.00 0.00 H new ATOM 0 HE1 MET A 80 -6.833 3.837 -13.377 1.00 0.00 H new ATOM 0 HE2 MET A 80 -6.619 3.868 -15.144 1.00 0.00 H new ATOM 0 HE3 MET A 80 -5.313 3.260 -14.100 1.00 0.00 H new ATOM 1281 N GLY A 81 -2.093 7.297 -17.420 1.00 0.00 N ATOM 1282 CA GLY A 81 -1.832 8.710 -17.628 1.00 0.00 C ATOM 1283 C GLY A 81 -1.300 9.003 -19.016 1.00 0.00 C ATOM 1284 O GLY A 81 -1.745 8.409 -19.998 1.00 0.00 O ATOM 0 H GLY A 81 -2.680 6.860 -18.131 1.00 0.00 H new ATOM 0 HA2 GLY A 81 -2.751 9.273 -17.468 1.00 0.00 H new ATOM 0 HA3 GLY A 81 -1.113 9.057 -16.886 1.00 0.00 H new ATOM 1288 N ARG A 82 -0.344 9.923 -19.100 1.00 0.00 N ATOM 1289 CA ARG A 82 0.248 10.297 -20.379 1.00 0.00 C ATOM 1290 C ARG A 82 1.749 10.529 -20.236 1.00 0.00 C ATOM 1291 O ARG A 82 2.181 11.485 -19.590 1.00 0.00 O ATOM 1292 CB ARG A 82 -0.425 11.556 -20.928 1.00 0.00 C ATOM 1293 CG ARG A 82 -1.744 11.284 -21.632 1.00 0.00 C ATOM 1294 CD ARG A 82 -2.477 12.576 -21.960 1.00 0.00 C ATOM 1295 NE ARG A 82 -1.747 13.388 -22.930 1.00 0.00 N ATOM 1296 CZ ARG A 82 -2.270 14.442 -23.548 1.00 0.00 C ATOM 1297 NH1 ARG A 82 -3.519 14.809 -23.297 1.00 0.00 N ATOM 1298 NH2 ARG A 82 -1.542 15.130 -24.418 1.00 0.00 N ATOM 0 H ARG A 82 0.037 10.423 -18.297 1.00 0.00 H new ATOM 0 HA ARG A 82 0.090 9.476 -21.078 1.00 0.00 H new ATOM 0 HB2 ARG A 82 -0.598 12.253 -20.108 1.00 0.00 H new ATOM 0 HB3 ARG A 82 0.255 12.047 -21.625 1.00 0.00 H new ATOM 0 HG2 ARG A 82 -1.559 10.726 -22.550 1.00 0.00 H new ATOM 0 HG3 ARG A 82 -2.373 10.658 -20.999 1.00 0.00 H new ATOM 0 HD2 ARG A 82 -3.466 12.342 -22.354 1.00 0.00 H new ATOM 0 HD3 ARG A 82 -2.626 13.150 -21.046 1.00 0.00 H new ATOM 0 HE ARG A 82 -0.783 13.132 -23.145 1.00 0.00 H new ATOM 0 HH11 ARG A 82 -4.081 14.282 -22.628 1.00 0.00 H new ATOM 0 HH12 ARG A 82 -3.918 15.618 -23.773 1.00 0.00 H new ATOM 0 HH21 ARG A 82 -0.581 14.850 -24.613 1.00 0.00 H new ATOM 0 HH22 ARG A 82 -1.944 15.939 -24.892 1.00 0.00 H new ATOM 1312 N LEU A 83 2.539 9.650 -20.842 1.00 0.00 N ATOM 1313 CA LEU A 83 3.993 9.759 -20.782 1.00 0.00 C ATOM 1314 C LEU A 83 4.497 10.839 -21.735 1.00 0.00 C ATOM 1315 O LEU A 83 3.862 11.133 -22.747 1.00 0.00 O ATOM 1316 CB LEU A 83 4.639 8.417 -21.126 1.00 0.00 C ATOM 1317 CG LEU A 83 4.780 7.424 -19.972 1.00 0.00 C ATOM 1318 CD1 LEU A 83 6.003 7.755 -19.130 1.00 0.00 C ATOM 1319 CD2 LEU A 83 3.524 7.423 -19.113 1.00 0.00 C ATOM 0 H LEU A 83 2.198 8.854 -21.381 1.00 0.00 H new ATOM 0 HA LEU A 83 4.271 10.038 -19.766 1.00 0.00 H new ATOM 0 HB2 LEU A 83 4.052 7.946 -21.915 1.00 0.00 H new ATOM 0 HB3 LEU A 83 5.630 8.608 -21.537 1.00 0.00 H new ATOM 0 HG LEU A 83 4.911 6.426 -20.390 1.00 0.00 H new ATOM 0 HD11 LEU A 83 6.087 7.038 -18.313 1.00 0.00 H new ATOM 0 HD12 LEU A 83 6.897 7.704 -19.751 1.00 0.00 H new ATOM 0 HD13 LEU A 83 5.902 8.760 -18.721 1.00 0.00 H new ATOM 0 HD21 LEU A 83 3.642 6.711 -18.297 1.00 0.00 H new ATOM 0 HD22 LEU A 83 3.362 8.420 -18.704 1.00 0.00 H new ATOM 0 HD23 LEU A 83 2.667 7.138 -19.722 1.00 0.00 H new ATOM 1331 N SER A 84 5.644 11.423 -21.405 1.00 0.00 N ATOM 1332 CA SER A 84 6.234 12.471 -22.230 1.00 0.00 C ATOM 1333 C SER A 84 7.282 11.892 -23.175 1.00 0.00 C ATOM 1334 O SER A 84 8.479 11.922 -22.887 1.00 0.00 O ATOM 1335 CB SER A 84 6.866 13.549 -21.348 1.00 0.00 C ATOM 1336 OG SER A 84 5.876 14.276 -20.641 1.00 0.00 O ATOM 0 H SER A 84 6.184 11.188 -20.572 1.00 0.00 H new ATOM 0 HA SER A 84 5.440 12.920 -22.827 1.00 0.00 H new ATOM 0 HB2 SER A 84 7.556 13.087 -20.642 1.00 0.00 H new ATOM 0 HB3 SER A 84 7.451 14.231 -21.965 1.00 0.00 H new ATOM 0 HG SER A 84 6.306 14.958 -20.084 1.00 0.00 H new ATOM 1342 N LEU A 85 6.823 11.366 -24.306 1.00 0.00 N ATOM 1343 CA LEU A 85 7.720 10.780 -25.296 1.00 0.00 C ATOM 1344 C LEU A 85 8.445 11.865 -26.085 1.00 0.00 C ATOM 1345 O LEU A 85 7.852 12.529 -26.935 1.00 0.00 O ATOM 1346 CB LEU A 85 6.937 9.876 -26.250 1.00 0.00 C ATOM 1347 CG LEU A 85 6.823 8.407 -25.841 1.00 0.00 C ATOM 1348 CD1 LEU A 85 5.825 7.681 -26.730 1.00 0.00 C ATOM 1349 CD2 LEU A 85 8.185 7.729 -25.901 1.00 0.00 C ATOM 0 H LEU A 85 5.836 11.333 -24.560 1.00 0.00 H new ATOM 0 HA LEU A 85 8.464 10.183 -24.768 1.00 0.00 H new ATOM 0 HB2 LEU A 85 5.931 10.281 -26.359 1.00 0.00 H new ATOM 0 HB3 LEU A 85 7.408 9.923 -27.232 1.00 0.00 H new ATOM 0 HG LEU A 85 6.462 8.363 -24.813 1.00 0.00 H new ATOM 0 HD11 LEU A 85 5.757 6.637 -26.424 1.00 0.00 H new ATOM 0 HD12 LEU A 85 4.846 8.151 -26.637 1.00 0.00 H new ATOM 0 HD13 LEU A 85 6.156 7.734 -27.767 1.00 0.00 H new ATOM 0 HD21 LEU A 85 8.085 6.684 -25.607 1.00 0.00 H new ATOM 0 HD22 LEU A 85 8.574 7.784 -26.918 1.00 0.00 H new ATOM 0 HD23 LEU A 85 8.872 8.233 -25.222 1.00 0.00 H new TER 1361 LEU A 85