USER MOD reduce.3.24.130724 H: found=0, std=0, add=604, rem=0, adj=17 USER MOD reduce.3.24.130724 removed 600 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 67 THR OG1 : rot 180:sc= -0.257 USER MOD Set 1.2: A 76 GLN :FLIP amide:sc= 0.53 F(o=-0.74,f=0.27) USER MOD Single : A 1 GLY N :NH3+ -126:sc= 0.0668 (180deg=0) USER MOD Single : A 2 SER OG : rot 180:sc= -0.0107 USER MOD Single : A 3 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 5 HIS : no HD1:sc= -0.544 K(o=-0.54,f=-4.3!) USER MOD Single : A 7 MET CE :methyl 173:sc= -2.32 (180deg=-2.56!) USER MOD Single : A 8 SER OG : rot 180:sc= 0 USER MOD Single : A 9 ASN : amide:sc= -1.33 K(o=-1.3,f=-4.8!) USER MOD Single : A 10 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 12 THR OG1 : rot 180:sc= 0 USER MOD Single : A 14 SER OG : rot 180:sc= 0 USER MOD Single : A 17 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 18 HIS : no HD1:sc= -3.35! C(o=-3.3!,f=-3.9!) USER MOD Single : A 20 HIS : no HD1:sc= -4.98! C(o=-5!,f=-8.4!) USER MOD Single : A 24 CYS SG : rot 180:sc= 0 USER MOD Single : A 28 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 33 SER OG : rot 20:sc= 0.206 USER MOD Single : A 35 SER OG : rot -119:sc= -2.74! USER MOD Single : A 38 GLN : amide:sc= -0.0617 X(o=-0.062,f=0) USER MOD Single : A 40 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 47 GLN : amide:sc= -2.25! C(o=-2.3!,f=-1.8!) USER MOD Single : A 49 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 56 THR OG1 : rot -62:sc= 0.661 USER MOD Single : A 58 LYS NZ :NH3+ -173:sc= 0 (180deg=-0.0738) USER MOD Single : A 60 CYS SG : rot 180:sc= -0.353 USER MOD Single : A 61 LYS NZ :NH3+ -139:sc= -0.0509 (180deg=-1.48!) USER MOD Single : A 66 GLN : amide:sc= -0.612 K(o=-0.61,f=-3.5!) USER MOD Single : A 69 SER OG : rot -22:sc= 1.17 USER MOD Single : A 73 HIS : no HD1:sc= -1.19! C(o=-1.2!,f=-3.2!) USER MOD Single : A 74 SER OG : rot 180:sc= 0 USER MOD ----------------------------------------------------------------- ATOM 1 N GLY A 1 -30.283 -14.754 7.677 1.00 0.00 N ATOM 2 CA GLY A 1 -28.971 -15.043 7.034 1.00 0.00 C ATOM 3 C GLY A 1 -27.797 -14.678 7.921 1.00 0.00 C ATOM 4 O GLY A 1 -27.952 -14.515 9.131 1.00 0.00 O ATOM 0 H1 GLY A 1 -30.870 -15.613 7.670 1.00 0.00 H new ATOM 0 H2 GLY A 1 -30.128 -14.448 8.659 1.00 0.00 H new ATOM 0 H3 GLY A 1 -30.768 -13.999 7.152 1.00 0.00 H new ATOM 0 HA2 GLY A 1 -28.918 -16.103 6.784 1.00 0.00 H new ATOM 0 HA3 GLY A 1 -28.900 -14.491 6.097 1.00 0.00 H new ATOM 10 N SER A 2 -26.621 -14.550 7.319 1.00 0.00 N ATOM 11 CA SER A 2 -25.416 -14.202 8.064 1.00 0.00 C ATOM 12 C SER A 2 -24.502 -13.306 7.236 1.00 0.00 C ATOM 13 O SER A 2 -24.076 -13.677 6.142 1.00 0.00 O ATOM 14 CB SER A 2 -24.667 -15.469 8.483 1.00 0.00 C ATOM 15 OG SER A 2 -25.542 -16.402 9.092 1.00 0.00 O ATOM 0 H SER A 2 -26.475 -14.682 6.318 1.00 0.00 H new ATOM 0 HA SER A 2 -25.717 -13.654 8.957 1.00 0.00 H new ATOM 0 HB2 SER A 2 -24.197 -15.923 7.610 1.00 0.00 H new ATOM 0 HB3 SER A 2 -23.867 -15.210 9.177 1.00 0.00 H new ATOM 0 HG SER A 2 -25.039 -17.203 9.349 1.00 0.00 H new ATOM 21 N MET A 3 -24.208 -12.124 7.765 1.00 0.00 N ATOM 22 CA MET A 3 -23.346 -11.170 7.079 1.00 0.00 C ATOM 23 C MET A 3 -22.851 -10.099 8.045 1.00 0.00 C ATOM 24 O MET A 3 -23.536 -9.756 9.009 1.00 0.00 O ATOM 25 CB MET A 3 -24.100 -10.520 5.918 1.00 0.00 C ATOM 26 CG MET A 3 -23.194 -9.816 4.920 1.00 0.00 C ATOM 27 SD MET A 3 -23.058 -10.701 3.354 1.00 0.00 S ATOM 28 CE MET A 3 -21.544 -11.621 3.613 1.00 0.00 C ATOM 0 H MET A 3 -24.555 -11.803 8.669 1.00 0.00 H new ATOM 0 HA MET A 3 -22.482 -11.707 6.687 1.00 0.00 H new ATOM 0 HB2 MET A 3 -24.676 -11.285 5.396 1.00 0.00 H new ATOM 0 HB3 MET A 3 -24.814 -9.800 6.318 1.00 0.00 H new ATOM 0 HG2 MET A 3 -23.577 -8.813 4.733 1.00 0.00 H new ATOM 0 HG3 MET A 3 -22.201 -9.702 5.355 1.00 0.00 H new ATOM 0 HE1 MET A 3 -21.326 -12.219 2.728 1.00 0.00 H new ATOM 0 HE2 MET A 3 -20.723 -10.927 3.793 1.00 0.00 H new ATOM 0 HE3 MET A 3 -21.660 -12.278 4.475 1.00 0.00 H new ATOM 38 N ILE A 4 -21.657 -9.576 7.785 1.00 0.00 N ATOM 39 CA ILE A 4 -21.077 -8.548 8.640 1.00 0.00 C ATOM 40 C ILE A 4 -20.482 -7.409 7.818 1.00 0.00 C ATOM 41 O ILE A 4 -20.093 -7.596 6.665 1.00 0.00 O ATOM 42 CB ILE A 4 -19.987 -9.130 9.561 1.00 0.00 C ATOM 43 CG1 ILE A 4 -18.882 -9.799 8.735 1.00 0.00 C ATOM 44 CG2 ILE A 4 -20.596 -10.113 10.552 1.00 0.00 C ATOM 45 CD1 ILE A 4 -19.299 -11.103 8.088 1.00 0.00 C ATOM 0 H ILE A 4 -21.075 -9.846 6.992 1.00 0.00 H new ATOM 0 HA ILE A 4 -21.889 -8.157 9.253 1.00 0.00 H new ATOM 0 HB ILE A 4 -19.538 -8.312 10.125 1.00 0.00 H new ATOM 0 HG12 ILE A 4 -18.555 -9.108 7.958 1.00 0.00 H new ATOM 0 HG13 ILE A 4 -18.023 -9.984 9.379 1.00 0.00 H new ATOM 0 HG21 ILE A 4 -19.812 -10.514 11.195 1.00 0.00 H new ATOM 0 HG22 ILE A 4 -21.339 -9.600 11.163 1.00 0.00 H new ATOM 0 HG23 ILE A 4 -21.073 -10.929 10.009 1.00 0.00 H new ATOM 0 HD11 ILE A 4 -18.462 -11.512 7.522 1.00 0.00 H new ATOM 0 HD12 ILE A 4 -19.597 -11.813 8.859 1.00 0.00 H new ATOM 0 HD13 ILE A 4 -20.138 -10.924 7.416 1.00 0.00 H new ATOM 57 N HIS A 5 -20.416 -6.229 8.424 1.00 0.00 N ATOM 58 CA HIS A 5 -19.870 -5.049 7.760 1.00 0.00 C ATOM 59 C HIS A 5 -19.072 -4.202 8.746 1.00 0.00 C ATOM 60 O HIS A 5 -19.066 -2.974 8.665 1.00 0.00 O ATOM 61 CB HIS A 5 -20.996 -4.214 7.142 1.00 0.00 C ATOM 62 CG HIS A 5 -22.103 -3.885 8.097 1.00 0.00 C ATOM 63 ND1 HIS A 5 -22.202 -4.430 9.360 1.00 0.00 N ATOM 64 CD2 HIS A 5 -23.169 -3.060 7.965 1.00 0.00 C ATOM 65 CE1 HIS A 5 -23.279 -3.957 9.962 1.00 0.00 C ATOM 66 NE2 HIS A 5 -23.882 -3.123 9.137 1.00 0.00 N ATOM 0 H HIS A 5 -20.735 -6.063 9.378 1.00 0.00 H new ATOM 0 HA HIS A 5 -19.203 -5.382 6.965 1.00 0.00 H new ATOM 0 HB2 HIS A 5 -20.576 -3.286 6.755 1.00 0.00 H new ATOM 0 HB3 HIS A 5 -21.412 -4.755 6.292 1.00 0.00 H new ATOM 0 HD2 HIS A 5 -23.413 -2.463 7.099 1.00 0.00 H new ATOM 0 HE1 HIS A 5 -23.609 -4.210 10.959 1.00 0.00 H new ATOM 0 HE2 HIS A 5 -24.739 -2.608 9.337 1.00 0.00 H new ATOM 74 N ARG A 6 -18.407 -4.871 9.681 1.00 0.00 N ATOM 75 CA ARG A 6 -17.611 -4.188 10.692 1.00 0.00 C ATOM 76 C ARG A 6 -16.394 -3.513 10.075 1.00 0.00 C ATOM 77 O ARG A 6 -15.412 -4.170 9.726 1.00 0.00 O ATOM 78 CB ARG A 6 -17.176 -5.174 11.776 1.00 0.00 C ATOM 79 CG ARG A 6 -18.289 -5.528 12.748 1.00 0.00 C ATOM 80 CD ARG A 6 -19.409 -6.286 12.053 1.00 0.00 C ATOM 81 NE ARG A 6 -20.485 -6.646 12.974 1.00 0.00 N ATOM 82 CZ ARG A 6 -20.364 -7.562 13.933 1.00 0.00 C ATOM 83 NH1 ARG A 6 -19.217 -8.208 14.103 1.00 0.00 N ATOM 84 NH2 ARG A 6 -21.394 -7.833 14.721 1.00 0.00 N ATOM 0 H ARG A 6 -18.404 -5.888 9.759 1.00 0.00 H new ATOM 0 HA ARG A 6 -18.232 -3.414 11.143 1.00 0.00 H new ATOM 0 HB2 ARG A 6 -16.812 -6.086 11.303 1.00 0.00 H new ATOM 0 HB3 ARG A 6 -16.340 -4.748 12.331 1.00 0.00 H new ATOM 0 HG2 ARG A 6 -17.887 -6.133 13.560 1.00 0.00 H new ATOM 0 HG3 ARG A 6 -18.687 -4.617 13.196 1.00 0.00 H new ATOM 0 HD2 ARG A 6 -19.813 -5.675 11.246 1.00 0.00 H new ATOM 0 HD3 ARG A 6 -19.005 -7.190 11.597 1.00 0.00 H new ATOM 0 HE ARG A 6 -21.381 -6.168 12.877 1.00 0.00 H new ATOM 0 HH11 ARG A 6 -18.422 -8.004 13.497 1.00 0.00 H new ATOM 0 HH12 ARG A 6 -19.131 -8.909 14.839 1.00 0.00 H new ATOM 0 HH21 ARG A 6 -22.278 -7.340 14.593 1.00 0.00 H new ATOM 0 HH22 ARG A 6 -21.303 -8.534 15.456 1.00 0.00 H new ATOM 98 N MET A 7 -16.469 -2.193 9.947 1.00 0.00 N ATOM 99 CA MET A 7 -15.381 -1.413 9.377 1.00 0.00 C ATOM 100 C MET A 7 -14.326 -1.106 10.435 1.00 0.00 C ATOM 101 O MET A 7 -14.354 -1.663 11.533 1.00 0.00 O ATOM 102 CB MET A 7 -15.924 -0.112 8.784 1.00 0.00 C ATOM 103 CG MET A 7 -16.680 0.741 9.789 1.00 0.00 C ATOM 104 SD MET A 7 -18.239 1.372 9.136 1.00 0.00 S ATOM 105 CE MET A 7 -19.052 -0.152 8.662 1.00 0.00 C ATOM 0 H MET A 7 -17.277 -1.640 10.232 1.00 0.00 H new ATOM 0 HA MET A 7 -14.914 -1.999 8.585 1.00 0.00 H new ATOM 0 HB2 MET A 7 -15.095 0.467 8.378 1.00 0.00 H new ATOM 0 HB3 MET A 7 -16.585 -0.350 7.950 1.00 0.00 H new ATOM 0 HG2 MET A 7 -16.878 0.151 10.684 1.00 0.00 H new ATOM 0 HG3 MET A 7 -16.053 1.579 10.093 1.00 0.00 H new ATOM 0 HE1 MET A 7 -20.076 0.062 8.356 1.00 0.00 H new ATOM 0 HE2 MET A 7 -18.513 -0.609 7.832 1.00 0.00 H new ATOM 0 HE3 MET A 7 -19.062 -0.838 9.509 1.00 0.00 H new ATOM 115 N SER A 8 -13.393 -0.221 10.098 1.00 0.00 N ATOM 116 CA SER A 8 -12.327 0.155 11.018 1.00 0.00 C ATOM 117 C SER A 8 -11.496 -1.061 11.406 1.00 0.00 C ATOM 118 O SER A 8 -11.852 -2.193 11.080 1.00 0.00 O ATOM 119 CB SER A 8 -12.903 0.816 12.270 1.00 0.00 C ATOM 120 OG SER A 8 -11.974 1.725 12.837 1.00 0.00 O ATOM 0 H SER A 8 -13.354 0.249 9.194 1.00 0.00 H new ATOM 0 HA SER A 8 -11.681 0.871 10.510 1.00 0.00 H new ATOM 0 HB2 SER A 8 -13.824 1.342 12.017 1.00 0.00 H new ATOM 0 HB3 SER A 8 -13.163 0.052 13.002 1.00 0.00 H new ATOM 0 HG SER A 8 -12.365 2.137 13.636 1.00 0.00 H new ATOM 126 N ASN A 9 -10.381 -0.813 12.093 1.00 0.00 N ATOM 127 CA ASN A 9 -9.472 -1.875 12.529 1.00 0.00 C ATOM 128 C ASN A 9 -8.513 -2.261 11.404 1.00 0.00 C ATOM 129 O ASN A 9 -7.306 -2.360 11.615 1.00 0.00 O ATOM 130 CB ASN A 9 -10.245 -3.108 13.015 1.00 0.00 C ATOM 131 CG ASN A 9 -11.370 -2.743 13.965 1.00 0.00 C ATOM 132 OD1 ASN A 9 -11.558 -1.574 14.301 1.00 0.00 O ATOM 133 ND2 ASN A 9 -12.123 -3.745 14.404 1.00 0.00 N ATOM 0 H ASN A 9 -10.083 0.125 12.362 1.00 0.00 H new ATOM 0 HA ASN A 9 -8.892 -1.488 13.367 1.00 0.00 H new ATOM 0 HB2 ASN A 9 -10.655 -3.639 12.156 1.00 0.00 H new ATOM 0 HB3 ASN A 9 -9.558 -3.792 13.514 1.00 0.00 H new ATOM 0 HD21 ASN A 9 -12.894 -3.560 15.046 1.00 0.00 H new ATOM 0 HD22 ASN A 9 -11.931 -4.699 14.099 1.00 0.00 H new ATOM 140 N MET A 10 -9.060 -2.468 10.209 1.00 0.00 N ATOM 141 CA MET A 10 -8.253 -2.832 9.051 1.00 0.00 C ATOM 142 C MET A 10 -8.071 -1.634 8.126 1.00 0.00 C ATOM 143 O MET A 10 -9.005 -0.864 7.904 1.00 0.00 O ATOM 144 CB MET A 10 -8.915 -3.973 8.279 1.00 0.00 C ATOM 145 CG MET A 10 -9.053 -5.256 9.078 1.00 0.00 C ATOM 146 SD MET A 10 -10.565 -5.300 10.059 1.00 0.00 S ATOM 147 CE MET A 10 -10.168 -6.597 11.228 1.00 0.00 C ATOM 0 H MET A 10 -10.059 -2.390 10.019 1.00 0.00 H new ATOM 0 HA MET A 10 -7.276 -3.158 9.409 1.00 0.00 H new ATOM 0 HB2 MET A 10 -9.904 -3.652 7.952 1.00 0.00 H new ATOM 0 HB3 MET A 10 -8.333 -4.177 7.380 1.00 0.00 H new ATOM 0 HG2 MET A 10 -9.041 -6.107 8.397 1.00 0.00 H new ATOM 0 HG3 MET A 10 -8.192 -5.363 9.738 1.00 0.00 H new ATOM 0 HE1 MET A 10 -11.008 -6.744 11.907 1.00 0.00 H new ATOM 0 HE2 MET A 10 -9.970 -7.524 10.690 1.00 0.00 H new ATOM 0 HE3 MET A 10 -9.285 -6.313 11.800 1.00 0.00 H new ATOM 157 N ALA A 11 -6.871 -1.487 7.579 1.00 0.00 N ATOM 158 CA ALA A 11 -6.586 -0.388 6.668 1.00 0.00 C ATOM 159 C ALA A 11 -7.006 -0.753 5.247 1.00 0.00 C ATOM 160 O ALA A 11 -6.567 -1.767 4.706 1.00 0.00 O ATOM 161 CB ALA A 11 -5.110 -0.025 6.712 1.00 0.00 C ATOM 0 H ALA A 11 -6.083 -2.112 7.750 1.00 0.00 H new ATOM 0 HA ALA A 11 -7.161 0.482 6.986 1.00 0.00 H new ATOM 0 HB1 ALA A 11 -4.917 0.798 6.024 1.00 0.00 H new ATOM 0 HB2 ALA A 11 -4.839 0.276 7.724 1.00 0.00 H new ATOM 0 HB3 ALA A 11 -4.514 -0.889 6.419 1.00 0.00 H new ATOM 167 N THR A 12 -7.864 0.069 4.653 1.00 0.00 N ATOM 168 CA THR A 12 -8.343 -0.182 3.299 1.00 0.00 C ATOM 169 C THR A 12 -8.317 1.093 2.464 1.00 0.00 C ATOM 170 O THR A 12 -8.810 2.138 2.888 1.00 0.00 O ATOM 171 CB THR A 12 -9.760 -0.760 3.336 1.00 0.00 C ATOM 172 OG1 THR A 12 -10.274 -0.749 4.656 1.00 0.00 O ATOM 173 CG2 THR A 12 -9.837 -2.183 2.827 1.00 0.00 C ATOM 0 H THR A 12 -8.241 0.912 5.086 1.00 0.00 H new ATOM 0 HA THR A 12 -7.676 -0.908 2.833 1.00 0.00 H new ATOM 0 HB THR A 12 -10.349 -0.121 2.678 1.00 0.00 H new ATOM 0 HG1 THR A 12 -11.181 -1.121 4.657 1.00 0.00 H new ATOM 0 HG21 THR A 12 -10.868 -2.533 2.880 1.00 0.00 H new ATOM 0 HG22 THR A 12 -9.494 -2.219 1.793 1.00 0.00 H new ATOM 0 HG23 THR A 12 -9.204 -2.824 3.441 1.00 0.00 H new ATOM 181 N PHE A 13 -7.734 0.996 1.275 1.00 0.00 N ATOM 182 CA PHE A 13 -7.633 2.135 0.370 1.00 0.00 C ATOM 183 C PHE A 13 -8.589 1.992 -0.810 1.00 0.00 C ATOM 184 O PHE A 13 -8.815 0.890 -1.309 1.00 0.00 O ATOM 185 CB PHE A 13 -6.203 2.264 -0.148 1.00 0.00 C ATOM 186 CG PHE A 13 -5.992 3.454 -1.042 1.00 0.00 C ATOM 187 CD1 PHE A 13 -6.571 4.677 -0.740 1.00 0.00 C ATOM 188 CD2 PHE A 13 -5.220 3.346 -2.187 1.00 0.00 C ATOM 189 CE1 PHE A 13 -6.381 5.770 -1.564 1.00 0.00 C ATOM 190 CE2 PHE A 13 -5.027 4.436 -3.015 1.00 0.00 C ATOM 191 CZ PHE A 13 -5.609 5.650 -2.702 1.00 0.00 C ATOM 0 H PHE A 13 -7.322 0.136 0.914 1.00 0.00 H new ATOM 0 HA PHE A 13 -7.906 3.031 0.928 1.00 0.00 H new ATOM 0 HB2 PHE A 13 -5.523 2.333 0.701 1.00 0.00 H new ATOM 0 HB3 PHE A 13 -5.940 1.358 -0.695 1.00 0.00 H new ATOM 0 HD1 PHE A 13 -7.177 4.777 0.149 1.00 0.00 H new ATOM 0 HD2 PHE A 13 -4.764 2.399 -2.436 1.00 0.00 H new ATOM 0 HE1 PHE A 13 -6.836 6.718 -1.318 1.00 0.00 H new ATOM 0 HE2 PHE A 13 -4.423 4.339 -3.905 1.00 0.00 H new ATOM 0 HZ PHE A 13 -5.460 6.503 -3.347 1.00 0.00 H new ATOM 201 N SER A 14 -9.138 3.115 -1.262 1.00 0.00 N ATOM 202 CA SER A 14 -10.055 3.119 -2.396 1.00 0.00 C ATOM 203 C SER A 14 -9.374 3.704 -3.631 1.00 0.00 C ATOM 204 O SER A 14 -8.501 4.562 -3.518 1.00 0.00 O ATOM 205 CB SER A 14 -11.309 3.927 -2.060 1.00 0.00 C ATOM 206 OG SER A 14 -12.050 3.313 -1.020 1.00 0.00 O ATOM 0 H SER A 14 -8.963 4.036 -0.859 1.00 0.00 H new ATOM 0 HA SER A 14 -10.343 2.090 -2.609 1.00 0.00 H new ATOM 0 HB2 SER A 14 -11.025 4.936 -1.761 1.00 0.00 H new ATOM 0 HB3 SER A 14 -11.933 4.021 -2.949 1.00 0.00 H new ATOM 0 HG SER A 14 -12.845 3.851 -0.824 1.00 0.00 H new ATOM 212 N LEU A 15 -9.781 3.242 -4.811 1.00 0.00 N ATOM 213 CA LEU A 15 -9.206 3.737 -6.060 1.00 0.00 C ATOM 214 C LEU A 15 -10.270 4.403 -6.920 1.00 0.00 C ATOM 215 O LEU A 15 -10.021 5.432 -7.547 1.00 0.00 O ATOM 216 CB LEU A 15 -8.548 2.598 -6.843 1.00 0.00 C ATOM 217 CG LEU A 15 -7.500 1.800 -6.069 1.00 0.00 C ATOM 218 CD1 LEU A 15 -6.848 0.760 -6.969 1.00 0.00 C ATOM 219 CD2 LEU A 15 -6.448 2.728 -5.473 1.00 0.00 C ATOM 0 H LEU A 15 -10.502 2.530 -4.929 1.00 0.00 H new ATOM 0 HA LEU A 15 -8.446 4.476 -5.806 1.00 0.00 H new ATOM 0 HB2 LEU A 15 -9.326 1.914 -7.182 1.00 0.00 H new ATOM 0 HB3 LEU A 15 -8.079 3.014 -7.735 1.00 0.00 H new ATOM 0 HG LEU A 15 -8.001 1.282 -5.251 1.00 0.00 H new ATOM 0 HD11 LEU A 15 -6.104 0.202 -6.400 1.00 0.00 H new ATOM 0 HD12 LEU A 15 -7.608 0.075 -7.343 1.00 0.00 H new ATOM 0 HD13 LEU A 15 -6.363 1.258 -7.809 1.00 0.00 H new ATOM 0 HD21 LEU A 15 -5.711 2.139 -4.926 1.00 0.00 H new ATOM 0 HD22 LEU A 15 -5.952 3.277 -6.273 1.00 0.00 H new ATOM 0 HD23 LEU A 15 -6.927 3.432 -4.793 1.00 0.00 H new ATOM 231 N GLY A 16 -11.456 3.808 -6.949 1.00 0.00 N ATOM 232 CA GLY A 16 -12.538 4.359 -7.739 1.00 0.00 C ATOM 233 C GLY A 16 -12.574 3.786 -9.141 1.00 0.00 C ATOM 234 O GLY A 16 -13.021 2.657 -9.344 1.00 0.00 O ATOM 0 H GLY A 16 -11.687 2.955 -6.440 1.00 0.00 H new ATOM 0 HA2 GLY A 16 -13.487 4.158 -7.242 1.00 0.00 H new ATOM 0 HA3 GLY A 16 -12.430 5.442 -7.794 1.00 0.00 H new ATOM 238 N LYS A 17 -12.101 4.562 -10.111 1.00 0.00 N ATOM 239 CA LYS A 17 -12.084 4.118 -11.499 1.00 0.00 C ATOM 240 C LYS A 17 -10.832 4.609 -12.221 1.00 0.00 C ATOM 241 O LYS A 17 -10.897 5.065 -13.362 1.00 0.00 O ATOM 242 CB LYS A 17 -13.339 4.607 -12.226 1.00 0.00 C ATOM 243 CG LYS A 17 -13.535 6.112 -12.160 1.00 0.00 C ATOM 244 CD LYS A 17 -14.876 6.523 -12.746 1.00 0.00 C ATOM 245 CE LYS A 17 -14.741 7.734 -13.656 1.00 0.00 C ATOM 246 NZ LYS A 17 -15.789 7.751 -14.713 1.00 0.00 N ATOM 0 H LYS A 17 -11.726 5.499 -9.962 1.00 0.00 H new ATOM 0 HA LYS A 17 -12.071 3.028 -11.504 1.00 0.00 H new ATOM 0 HB2 LYS A 17 -13.285 4.302 -13.271 1.00 0.00 H new ATOM 0 HB3 LYS A 17 -14.212 4.116 -11.795 1.00 0.00 H new ATOM 0 HG2 LYS A 17 -13.472 6.443 -11.124 1.00 0.00 H new ATOM 0 HG3 LYS A 17 -12.731 6.609 -12.703 1.00 0.00 H new ATOM 0 HD2 LYS A 17 -15.299 5.690 -13.308 1.00 0.00 H new ATOM 0 HD3 LYS A 17 -15.573 6.749 -11.939 1.00 0.00 H new ATOM 0 HE2 LYS A 17 -14.810 8.645 -13.061 1.00 0.00 H new ATOM 0 HE3 LYS A 17 -13.755 7.731 -14.121 1.00 0.00 H new ATOM 0 HZ1 LYS A 17 -15.664 8.591 -15.313 1.00 0.00 H new ATOM 0 HZ2 LYS A 17 -15.708 6.894 -15.296 1.00 0.00 H new ATOM 0 HZ3 LYS A 17 -16.729 7.780 -14.269 1.00 0.00 H new ATOM 260 N HIS A 18 -9.690 4.501 -11.548 1.00 0.00 N ATOM 261 CA HIS A 18 -8.417 4.922 -12.121 1.00 0.00 C ATOM 262 C HIS A 18 -7.631 3.705 -12.613 1.00 0.00 C ATOM 263 O HIS A 18 -7.822 2.597 -12.111 1.00 0.00 O ATOM 264 CB HIS A 18 -7.602 5.693 -11.074 1.00 0.00 C ATOM 265 CG HIS A 18 -6.987 6.955 -11.597 1.00 0.00 C ATOM 266 ND1 HIS A 18 -5.624 7.150 -11.670 1.00 0.00 N ATOM 267 CD2 HIS A 18 -7.552 8.085 -12.085 1.00 0.00 C ATOM 268 CE1 HIS A 18 -5.377 8.342 -12.179 1.00 0.00 C ATOM 269 NE2 HIS A 18 -6.528 8.931 -12.442 1.00 0.00 N ATOM 0 H HIS A 18 -9.621 4.124 -10.603 1.00 0.00 H new ATOM 0 HA HIS A 18 -8.611 5.577 -12.970 1.00 0.00 H new ATOM 0 HB2 HIS A 18 -8.249 5.937 -10.231 1.00 0.00 H new ATOM 0 HB3 HIS A 18 -6.812 5.046 -10.693 1.00 0.00 H new ATOM 0 HD2 HIS A 18 -8.609 8.285 -12.177 1.00 0.00 H new ATOM 0 HE1 HIS A 18 -4.398 8.764 -12.351 1.00 0.00 H new ATOM 0 HE2 HIS A 18 -6.640 9.862 -12.844 1.00 0.00 H new ATOM 277 N PRO A 19 -6.731 3.886 -13.600 1.00 0.00 N ATOM 278 CA PRO A 19 -5.923 2.788 -14.144 1.00 0.00 C ATOM 279 C PRO A 19 -5.224 1.996 -13.047 1.00 0.00 C ATOM 280 O PRO A 19 -5.021 0.791 -13.176 1.00 0.00 O ATOM 281 CB PRO A 19 -4.890 3.497 -15.037 1.00 0.00 C ATOM 282 CG PRO A 19 -4.996 4.945 -14.690 1.00 0.00 C ATOM 283 CD PRO A 19 -6.417 5.157 -14.263 1.00 0.00 C ATOM 0 HA PRO A 19 -6.534 2.063 -14.682 1.00 0.00 H new ATOM 0 HB2 PRO A 19 -3.884 3.120 -14.850 1.00 0.00 H new ATOM 0 HB3 PRO A 19 -5.102 3.329 -16.093 1.00 0.00 H new ATOM 0 HG2 PRO A 19 -4.304 5.208 -13.890 1.00 0.00 H new ATOM 0 HG3 PRO A 19 -4.747 5.572 -15.546 1.00 0.00 H new ATOM 0 HD2 PRO A 19 -6.517 6.006 -13.586 1.00 0.00 H new ATOM 0 HD3 PRO A 19 -7.074 5.347 -15.112 1.00 0.00 H new ATOM 291 N HIS A 20 -4.866 2.696 -11.971 1.00 0.00 N ATOM 292 CA HIS A 20 -4.188 2.100 -10.817 1.00 0.00 C ATOM 293 C HIS A 20 -3.481 3.187 -10.015 1.00 0.00 C ATOM 294 O HIS A 20 -3.738 4.375 -10.210 1.00 0.00 O ATOM 295 CB HIS A 20 -3.186 1.022 -11.243 1.00 0.00 C ATOM 296 CG HIS A 20 -2.106 1.547 -12.119 1.00 0.00 C ATOM 297 ND1 HIS A 20 -1.219 2.505 -11.699 1.00 0.00 N ATOM 298 CD2 HIS A 20 -1.777 1.260 -13.400 1.00 0.00 C ATOM 299 CE1 HIS A 20 -0.391 2.791 -12.677 1.00 0.00 C ATOM 300 NE2 HIS A 20 -0.705 2.051 -13.723 1.00 0.00 N ATOM 0 H HIS A 20 -5.038 3.697 -11.873 1.00 0.00 H new ATOM 0 HA HIS A 20 -4.943 1.620 -10.195 1.00 0.00 H new ATOM 0 HB2 HIS A 20 -2.740 0.576 -10.354 1.00 0.00 H new ATOM 0 HB3 HIS A 20 -3.717 0.227 -11.767 1.00 0.00 H new ATOM 0 HD2 HIS A 20 -2.266 0.544 -14.045 1.00 0.00 H new ATOM 0 HE1 HIS A 20 0.412 3.511 -12.633 1.00 0.00 H new ATOM 0 HE2 HIS A 20 -0.228 2.065 -14.625 1.00 0.00 H new ATOM 308 N VAL A 21 -2.586 2.785 -9.124 1.00 0.00 N ATOM 309 CA VAL A 21 -1.845 3.743 -8.313 1.00 0.00 C ATOM 310 C VAL A 21 -0.365 3.412 -8.287 1.00 0.00 C ATOM 311 O VAL A 21 0.022 2.247 -8.220 1.00 0.00 O ATOM 312 CB VAL A 21 -2.354 3.787 -6.864 1.00 0.00 C ATOM 313 CG1 VAL A 21 -3.729 4.433 -6.797 1.00 0.00 C ATOM 314 CG2 VAL A 21 -2.380 2.386 -6.270 1.00 0.00 C ATOM 0 H VAL A 21 -2.355 1.808 -8.944 1.00 0.00 H new ATOM 0 HA VAL A 21 -2.001 4.717 -8.777 1.00 0.00 H new ATOM 0 HB VAL A 21 -1.669 4.396 -6.273 1.00 0.00 H new ATOM 0 HG11 VAL A 21 -4.071 4.454 -5.762 1.00 0.00 H new ATOM 0 HG12 VAL A 21 -3.672 5.451 -7.181 1.00 0.00 H new ATOM 0 HG13 VAL A 21 -4.431 3.857 -7.400 1.00 0.00 H new ATOM 0 HG21 VAL A 21 -2.743 2.433 -5.243 1.00 0.00 H new ATOM 0 HG22 VAL A 21 -3.042 1.753 -6.860 1.00 0.00 H new ATOM 0 HG23 VAL A 21 -1.374 1.968 -6.281 1.00 0.00 H new ATOM 324 N GLU A 22 0.462 4.447 -8.316 1.00 0.00 N ATOM 325 CA GLU A 22 1.897 4.263 -8.273 1.00 0.00 C ATOM 326 C GLU A 22 2.347 4.049 -6.835 1.00 0.00 C ATOM 327 O GLU A 22 1.737 4.576 -5.909 1.00 0.00 O ATOM 328 CB GLU A 22 2.603 5.476 -8.872 1.00 0.00 C ATOM 329 CG GLU A 22 2.866 5.350 -10.365 1.00 0.00 C ATOM 330 CD GLU A 22 2.190 6.443 -11.171 1.00 0.00 C ATOM 331 OE1 GLU A 22 2.198 7.607 -10.719 1.00 0.00 O ATOM 332 OE2 GLU A 22 1.650 6.133 -12.255 1.00 0.00 O ATOM 0 H GLU A 22 0.160 5.420 -8.369 1.00 0.00 H new ATOM 0 HA GLU A 22 2.159 3.384 -8.861 1.00 0.00 H new ATOM 0 HB2 GLU A 22 1.998 6.364 -8.692 1.00 0.00 H new ATOM 0 HB3 GLU A 22 3.551 5.626 -8.356 1.00 0.00 H new ATOM 0 HG2 GLU A 22 3.941 5.383 -10.545 1.00 0.00 H new ATOM 0 HG3 GLU A 22 2.514 4.378 -10.711 1.00 0.00 H new ATOM 339 N LEU A 23 3.401 3.260 -6.652 1.00 0.00 N ATOM 340 CA LEU A 23 3.918 2.970 -5.315 1.00 0.00 C ATOM 341 C LEU A 23 3.861 4.205 -4.415 1.00 0.00 C ATOM 342 O LEU A 23 3.279 4.168 -3.332 1.00 0.00 O ATOM 343 CB LEU A 23 5.353 2.449 -5.407 1.00 0.00 C ATOM 344 CG LEU A 23 5.477 0.967 -5.772 1.00 0.00 C ATOM 345 CD1 LEU A 23 5.599 0.797 -7.279 1.00 0.00 C ATOM 346 CD2 LEU A 23 6.669 0.335 -5.067 1.00 0.00 C ATOM 0 H LEU A 23 3.914 2.810 -7.410 1.00 0.00 H new ATOM 0 HA LEU A 23 3.286 2.202 -4.870 1.00 0.00 H new ATOM 0 HB2 LEU A 23 5.891 3.038 -6.150 1.00 0.00 H new ATOM 0 HB3 LEU A 23 5.847 2.615 -4.450 1.00 0.00 H new ATOM 0 HG LEU A 23 4.573 0.458 -5.438 1.00 0.00 H new ATOM 0 HD11 LEU A 23 5.686 -0.262 -7.520 1.00 0.00 H new ATOM 0 HD12 LEU A 23 4.714 1.208 -7.764 1.00 0.00 H new ATOM 0 HD13 LEU A 23 6.485 1.324 -7.634 1.00 0.00 H new ATOM 0 HD21 LEU A 23 6.738 -0.718 -5.341 1.00 0.00 H new ATOM 0 HD22 LEU A 23 7.583 0.848 -5.366 1.00 0.00 H new ATOM 0 HD23 LEU A 23 6.541 0.421 -3.988 1.00 0.00 H new ATOM 358 N CYS A 24 4.461 5.297 -4.873 1.00 0.00 N ATOM 359 CA CYS A 24 4.474 6.539 -4.108 1.00 0.00 C ATOM 360 C CYS A 24 3.056 7.056 -3.858 1.00 0.00 C ATOM 361 O CYS A 24 2.800 7.725 -2.859 1.00 0.00 O ATOM 362 CB CYS A 24 5.296 7.602 -4.841 1.00 0.00 C ATOM 363 SG CYS A 24 5.750 9.021 -3.815 1.00 0.00 S ATOM 0 H CYS A 24 4.945 5.348 -5.770 1.00 0.00 H new ATOM 0 HA CYS A 24 4.933 6.331 -3.141 1.00 0.00 H new ATOM 0 HB2 CYS A 24 6.205 7.141 -5.227 1.00 0.00 H new ATOM 0 HB3 CYS A 24 4.728 7.956 -5.701 1.00 0.00 H new ATOM 0 HG CYS A 24 6.444 9.863 -4.522 1.00 0.00 H new ATOM 369 N ASP A 25 2.139 6.746 -4.773 1.00 0.00 N ATOM 370 CA ASP A 25 0.751 7.189 -4.646 1.00 0.00 C ATOM 371 C ASP A 25 0.019 6.418 -3.552 1.00 0.00 C ATOM 372 O ASP A 25 -0.432 7.000 -2.566 1.00 0.00 O ATOM 373 CB ASP A 25 0.008 7.017 -5.974 1.00 0.00 C ATOM 374 CG ASP A 25 0.701 7.721 -7.126 1.00 0.00 C ATOM 375 OD1 ASP A 25 1.938 7.885 -7.067 1.00 0.00 O ATOM 376 OD2 ASP A 25 0.006 8.107 -8.089 1.00 0.00 O ATOM 0 H ASP A 25 2.331 6.192 -5.608 1.00 0.00 H new ATOM 0 HA ASP A 25 0.769 8.244 -4.374 1.00 0.00 H new ATOM 0 HB2 ASP A 25 -0.080 5.955 -6.202 1.00 0.00 H new ATOM 0 HB3 ASP A 25 -1.005 7.406 -5.872 1.00 0.00 H new ATOM 381 N LEU A 26 -0.101 5.106 -3.734 1.00 0.00 N ATOM 382 CA LEU A 26 -0.788 4.257 -2.763 1.00 0.00 C ATOM 383 C LEU A 26 -0.243 4.473 -1.357 1.00 0.00 C ATOM 384 O LEU A 26 -1.002 4.658 -0.407 1.00 0.00 O ATOM 385 CB LEU A 26 -0.646 2.784 -3.149 1.00 0.00 C ATOM 386 CG LEU A 26 -1.582 1.828 -2.403 1.00 0.00 C ATOM 387 CD1 LEU A 26 -2.140 0.775 -3.348 1.00 0.00 C ATOM 388 CD2 LEU A 26 -0.857 1.168 -1.239 1.00 0.00 C ATOM 0 H LEU A 26 0.268 4.607 -4.544 1.00 0.00 H new ATOM 0 HA LEU A 26 -1.843 4.532 -2.770 1.00 0.00 H new ATOM 0 HB2 LEU A 26 -0.827 2.685 -4.219 1.00 0.00 H new ATOM 0 HB3 LEU A 26 0.384 2.474 -2.970 1.00 0.00 H new ATOM 0 HG LEU A 26 -2.415 2.408 -2.006 1.00 0.00 H new ATOM 0 HD11 LEU A 26 -2.802 0.107 -2.798 1.00 0.00 H new ATOM 0 HD12 LEU A 26 -2.699 1.263 -4.147 1.00 0.00 H new ATOM 0 HD13 LEU A 26 -1.320 0.200 -3.778 1.00 0.00 H new ATOM 0 HD21 LEU A 26 -1.539 0.493 -0.722 1.00 0.00 H new ATOM 0 HD22 LEU A 26 -0.003 0.604 -1.615 1.00 0.00 H new ATOM 0 HD23 LEU A 26 -0.509 1.934 -0.546 1.00 0.00 H new ATOM 400 N LEU A 27 1.077 4.441 -1.234 1.00 0.00 N ATOM 401 CA LEU A 27 1.734 4.625 0.053 1.00 0.00 C ATOM 402 C LEU A 27 1.412 5.989 0.657 1.00 0.00 C ATOM 403 O LEU A 27 0.900 6.082 1.771 1.00 0.00 O ATOM 404 CB LEU A 27 3.247 4.477 -0.111 1.00 0.00 C ATOM 405 CG LEU A 27 3.746 3.038 -0.248 1.00 0.00 C ATOM 406 CD1 LEU A 27 4.939 2.974 -1.189 1.00 0.00 C ATOM 407 CD2 LEU A 27 4.111 2.470 1.115 1.00 0.00 C ATOM 0 H LEU A 27 1.717 4.289 -2.014 1.00 0.00 H new ATOM 0 HA LEU A 27 1.360 3.859 0.732 1.00 0.00 H new ATOM 0 HB2 LEU A 27 3.558 5.039 -0.992 1.00 0.00 H new ATOM 0 HB3 LEU A 27 3.737 4.935 0.748 1.00 0.00 H new ATOM 0 HG LEU A 27 2.943 2.434 -0.670 1.00 0.00 H new ATOM 0 HD11 LEU A 27 5.280 1.942 -1.274 1.00 0.00 H new ATOM 0 HD12 LEU A 27 4.647 3.342 -2.173 1.00 0.00 H new ATOM 0 HD13 LEU A 27 5.746 3.592 -0.796 1.00 0.00 H new ATOM 0 HD21 LEU A 27 4.464 1.445 0.999 1.00 0.00 H new ATOM 0 HD22 LEU A 27 4.898 3.077 1.563 1.00 0.00 H new ATOM 0 HD23 LEU A 27 3.233 2.480 1.761 1.00 0.00 H new ATOM 419 N LYS A 28 1.729 7.045 -0.082 1.00 0.00 N ATOM 420 CA LYS A 28 1.489 8.407 0.383 1.00 0.00 C ATOM 421 C LYS A 28 0.024 8.628 0.758 1.00 0.00 C ATOM 422 O LYS A 28 -0.282 9.075 1.864 1.00 0.00 O ATOM 423 CB LYS A 28 1.906 9.412 -0.695 1.00 0.00 C ATOM 424 CG LYS A 28 1.880 10.858 -0.225 1.00 0.00 C ATOM 425 CD LYS A 28 1.607 11.814 -1.377 1.00 0.00 C ATOM 426 CE LYS A 28 0.134 12.174 -1.466 1.00 0.00 C ATOM 427 NZ LYS A 28 -0.106 13.324 -2.383 1.00 0.00 N ATOM 0 H LYS A 28 2.154 6.985 -1.007 1.00 0.00 H new ATOM 0 HA LYS A 28 2.091 8.560 1.279 1.00 0.00 H new ATOM 0 HB2 LYS A 28 2.912 9.168 -1.037 1.00 0.00 H new ATOM 0 HB3 LYS A 28 1.243 9.306 -1.554 1.00 0.00 H new ATOM 0 HG2 LYS A 28 1.113 10.979 0.540 1.00 0.00 H new ATOM 0 HG3 LYS A 28 2.834 11.108 0.239 1.00 0.00 H new ATOM 0 HD2 LYS A 28 2.197 12.721 -1.246 1.00 0.00 H new ATOM 0 HD3 LYS A 28 1.928 11.358 -2.313 1.00 0.00 H new ATOM 0 HE2 LYS A 28 -0.430 11.309 -1.814 1.00 0.00 H new ATOM 0 HE3 LYS A 28 -0.240 12.419 -0.472 1.00 0.00 H new ATOM 0 HZ1 LYS A 28 -1.124 13.536 -2.414 1.00 0.00 H new ATOM 0 HZ2 LYS A 28 0.411 14.157 -2.037 1.00 0.00 H new ATOM 0 HZ3 LYS A 28 0.227 13.082 -3.338 1.00 0.00 H new ATOM 441 N LEU A 29 -0.875 8.334 -0.176 1.00 0.00 N ATOM 442 CA LEU A 29 -2.307 8.524 0.048 1.00 0.00 C ATOM 443 C LEU A 29 -2.803 7.771 1.282 1.00 0.00 C ATOM 444 O LEU A 29 -3.473 8.349 2.139 1.00 0.00 O ATOM 445 CB LEU A 29 -3.100 8.087 -1.187 1.00 0.00 C ATOM 446 CG LEU A 29 -3.884 9.206 -1.876 1.00 0.00 C ATOM 447 CD1 LEU A 29 -4.813 9.895 -0.889 1.00 0.00 C ATOM 448 CD2 LEU A 29 -2.930 10.210 -2.505 1.00 0.00 C ATOM 0 H LEU A 29 -0.639 7.963 -1.096 1.00 0.00 H new ATOM 0 HA LEU A 29 -2.468 9.587 0.226 1.00 0.00 H new ATOM 0 HB2 LEU A 29 -2.410 7.649 -1.908 1.00 0.00 H new ATOM 0 HB3 LEU A 29 -3.797 7.301 -0.895 1.00 0.00 H new ATOM 0 HG LEU A 29 -4.493 8.766 -2.666 1.00 0.00 H new ATOM 0 HD11 LEU A 29 -5.362 10.688 -1.398 1.00 0.00 H new ATOM 0 HD12 LEU A 29 -5.517 9.168 -0.484 1.00 0.00 H new ATOM 0 HD13 LEU A 29 -4.227 10.324 -0.076 1.00 0.00 H new ATOM 0 HD21 LEU A 29 -3.502 11.000 -2.991 1.00 0.00 H new ATOM 0 HD22 LEU A 29 -2.297 10.644 -1.731 1.00 0.00 H new ATOM 0 HD23 LEU A 29 -2.307 9.706 -3.244 1.00 0.00 H new ATOM 460 N GLU A 30 -2.491 6.482 1.365 1.00 0.00 N ATOM 461 CA GLU A 30 -2.930 5.665 2.495 1.00 0.00 C ATOM 462 C GLU A 30 -2.326 6.143 3.811 1.00 0.00 C ATOM 463 O GLU A 30 -2.797 5.770 4.885 1.00 0.00 O ATOM 464 CB GLU A 30 -2.559 4.200 2.279 1.00 0.00 C ATOM 465 CG GLU A 30 -3.741 3.312 1.938 1.00 0.00 C ATOM 466 CD GLU A 30 -4.738 3.204 3.075 1.00 0.00 C ATOM 467 OE1 GLU A 30 -4.332 3.392 4.241 1.00 0.00 O ATOM 468 OE2 GLU A 30 -5.926 2.930 2.800 1.00 0.00 O ATOM 0 H GLU A 30 -1.939 5.981 0.669 1.00 0.00 H new ATOM 0 HA GLU A 30 -4.014 5.766 2.554 1.00 0.00 H new ATOM 0 HB2 GLU A 30 -1.825 4.136 1.476 1.00 0.00 H new ATOM 0 HB3 GLU A 30 -2.079 3.820 3.181 1.00 0.00 H new ATOM 0 HG2 GLU A 30 -4.244 3.707 1.055 1.00 0.00 H new ATOM 0 HG3 GLU A 30 -3.380 2.316 1.681 1.00 0.00 H new ATOM 475 N GLY A 31 -1.290 6.971 3.733 1.00 0.00 N ATOM 476 CA GLY A 31 -0.665 7.474 4.939 1.00 0.00 C ATOM 477 C GLY A 31 0.536 6.654 5.382 1.00 0.00 C ATOM 478 O GLY A 31 0.882 6.656 6.564 1.00 0.00 O ATOM 0 H GLY A 31 -0.875 7.300 2.861 1.00 0.00 H new ATOM 0 HA2 GLY A 31 -0.351 8.505 4.774 1.00 0.00 H new ATOM 0 HA3 GLY A 31 -1.402 7.489 5.742 1.00 0.00 H new ATOM 482 N TRP A 32 1.189 5.966 4.445 1.00 0.00 N ATOM 483 CA TRP A 32 2.367 5.170 4.784 1.00 0.00 C ATOM 484 C TRP A 32 3.552 6.095 5.038 1.00 0.00 C ATOM 485 O TRP A 32 4.105 6.130 6.138 1.00 0.00 O ATOM 486 CB TRP A 32 2.722 4.175 3.669 1.00 0.00 C ATOM 487 CG TRP A 32 1.633 3.197 3.339 1.00 0.00 C ATOM 488 CD1 TRP A 32 0.345 3.492 2.995 1.00 0.00 C ATOM 489 CD2 TRP A 32 1.734 1.761 3.308 1.00 0.00 C ATOM 490 NE1 TRP A 32 -0.354 2.338 2.749 1.00 0.00 N ATOM 491 CE2 TRP A 32 0.470 1.269 2.936 1.00 0.00 C ATOM 492 CE3 TRP A 32 2.760 0.836 3.554 1.00 0.00 C ATOM 493 CZ2 TRP A 32 0.202 -0.085 2.805 1.00 0.00 C ATOM 494 CZ3 TRP A 32 2.480 -0.514 3.422 1.00 0.00 C ATOM 495 CH2 TRP A 32 1.211 -0.957 3.050 1.00 0.00 C ATOM 0 H TRP A 32 0.927 5.944 3.460 1.00 0.00 H new ATOM 0 HA TRP A 32 2.137 4.598 5.683 1.00 0.00 H new ATOM 0 HB2 TRP A 32 2.977 4.734 2.768 1.00 0.00 H new ATOM 0 HB3 TRP A 32 3.613 3.621 3.964 1.00 0.00 H new ATOM 0 HD1 TRP A 32 -0.064 4.489 2.927 1.00 0.00 H new ATOM 0 HE1 TRP A 32 -1.334 2.288 2.471 1.00 0.00 H new ATOM 0 HE3 TRP A 32 3.747 1.169 3.840 1.00 0.00 H new ATOM 0 HZ2 TRP A 32 -0.779 -0.434 2.517 1.00 0.00 H new ATOM 0 HZ3 TRP A 32 3.259 -1.237 3.611 1.00 0.00 H new ATOM 0 HH2 TRP A 32 1.028 -2.017 2.955 1.00 0.00 H new ATOM 506 N SER A 33 3.929 6.854 4.010 1.00 0.00 N ATOM 507 CA SER A 33 5.037 7.796 4.111 1.00 0.00 C ATOM 508 C SER A 33 4.517 9.229 4.158 1.00 0.00 C ATOM 509 O SER A 33 3.573 9.573 3.448 1.00 0.00 O ATOM 510 CB SER A 33 5.985 7.635 2.923 1.00 0.00 C ATOM 511 OG SER A 33 7.072 8.542 3.013 1.00 0.00 O ATOM 0 H SER A 33 3.479 6.833 3.095 1.00 0.00 H new ATOM 0 HA SER A 33 5.580 7.584 5.032 1.00 0.00 H new ATOM 0 HB2 SER A 33 6.362 6.613 2.890 1.00 0.00 H new ATOM 0 HB3 SER A 33 5.441 7.805 1.994 1.00 0.00 H new ATOM 0 HG SER A 33 7.166 8.849 3.939 1.00 0.00 H new ATOM 517 N GLU A 34 5.135 10.066 4.986 1.00 0.00 N ATOM 518 CA GLU A 34 4.714 11.457 5.095 1.00 0.00 C ATOM 519 C GLU A 34 5.127 12.230 3.849 1.00 0.00 C ATOM 520 O GLU A 34 4.422 13.135 3.402 1.00 0.00 O ATOM 521 CB GLU A 34 5.326 12.109 6.338 1.00 0.00 C ATOM 522 CG GLU A 34 4.317 12.381 7.442 1.00 0.00 C ATOM 523 CD GLU A 34 4.734 11.784 8.772 1.00 0.00 C ATOM 524 OE1 GLU A 34 5.387 10.720 8.766 1.00 0.00 O ATOM 525 OE2 GLU A 34 4.406 12.381 9.819 1.00 0.00 O ATOM 0 H GLU A 34 5.920 9.809 5.584 1.00 0.00 H new ATOM 0 HA GLU A 34 3.628 11.481 5.187 1.00 0.00 H new ATOM 0 HB2 GLU A 34 6.112 11.462 6.727 1.00 0.00 H new ATOM 0 HB3 GLU A 34 5.799 13.048 6.050 1.00 0.00 H new ATOM 0 HG2 GLU A 34 4.189 13.458 7.555 1.00 0.00 H new ATOM 0 HG3 GLU A 34 3.348 11.973 7.153 1.00 0.00 H new ATOM 532 N SER A 35 6.271 11.857 3.288 1.00 0.00 N ATOM 533 CA SER A 35 6.777 12.503 2.083 1.00 0.00 C ATOM 534 C SER A 35 6.595 11.593 0.874 1.00 0.00 C ATOM 535 O SER A 35 6.121 12.022 -0.178 1.00 0.00 O ATOM 536 CB SER A 35 8.251 12.868 2.256 1.00 0.00 C ATOM 537 OG SER A 35 8.817 12.179 3.354 1.00 0.00 O ATOM 0 H SER A 35 6.866 11.111 3.648 1.00 0.00 H new ATOM 0 HA SER A 35 6.209 13.418 1.916 1.00 0.00 H new ATOM 0 HB2 SER A 35 8.799 12.623 1.346 1.00 0.00 H new ATOM 0 HB3 SER A 35 8.348 13.943 2.407 1.00 0.00 H new ATOM 0 HG SER A 35 9.135 12.826 4.017 1.00 0.00 H new ATOM 543 N GLY A 36 6.978 10.331 1.039 1.00 0.00 N ATOM 544 CA GLY A 36 6.858 9.364 -0.034 1.00 0.00 C ATOM 545 C GLY A 36 8.152 8.610 -0.277 1.00 0.00 C ATOM 546 O GLY A 36 8.133 7.450 -0.687 1.00 0.00 O ATOM 0 H GLY A 36 7.372 9.960 1.904 1.00 0.00 H new ATOM 0 HA2 GLY A 36 6.066 8.654 0.206 1.00 0.00 H new ATOM 0 HA3 GLY A 36 6.561 9.875 -0.949 1.00 0.00 H new ATOM 550 N ALA A 37 9.277 9.273 -0.022 1.00 0.00 N ATOM 551 CA ALA A 37 10.587 8.657 -0.216 1.00 0.00 C ATOM 552 C ALA A 37 11.524 8.928 0.963 1.00 0.00 C ATOM 553 O ALA A 37 12.705 8.587 0.911 1.00 0.00 O ATOM 554 CB ALA A 37 11.212 9.151 -1.511 1.00 0.00 C ATOM 0 H ALA A 37 9.308 10.234 0.318 1.00 0.00 H new ATOM 0 HA ALA A 37 10.439 7.579 -0.276 1.00 0.00 H new ATOM 0 HB1 ALA A 37 12.188 8.685 -1.645 1.00 0.00 H new ATOM 0 HB2 ALA A 37 10.567 8.889 -2.350 1.00 0.00 H new ATOM 0 HB3 ALA A 37 11.330 10.234 -1.468 1.00 0.00 H new ATOM 560 N GLN A 38 11.000 9.540 2.026 1.00 0.00 N ATOM 561 CA GLN A 38 11.809 9.846 3.206 1.00 0.00 C ATOM 562 C GLN A 38 12.535 8.600 3.699 1.00 0.00 C ATOM 563 O GLN A 38 13.740 8.451 3.499 1.00 0.00 O ATOM 564 CB GLN A 38 10.930 10.416 4.325 1.00 0.00 C ATOM 565 CG GLN A 38 11.664 10.624 5.639 1.00 0.00 C ATOM 566 CD GLN A 38 12.743 11.683 5.538 1.00 0.00 C ATOM 567 OE1 GLN A 38 12.499 12.861 5.797 1.00 0.00 O ATOM 568 NE2 GLN A 38 13.945 11.268 5.156 1.00 0.00 N ATOM 0 H GLN A 38 10.025 9.832 2.094 1.00 0.00 H new ATOM 0 HA GLN A 38 12.551 10.593 2.924 1.00 0.00 H new ATOM 0 HB2 GLN A 38 10.514 11.369 3.997 1.00 0.00 H new ATOM 0 HB3 GLN A 38 10.090 9.742 4.492 1.00 0.00 H new ATOM 0 HG2 GLN A 38 10.949 10.911 6.410 1.00 0.00 H new ATOM 0 HG3 GLN A 38 12.112 9.682 5.955 1.00 0.00 H new ATOM 0 HE21 GLN A 38 14.103 10.281 4.951 1.00 0.00 H new ATOM 0 HE22 GLN A 38 14.711 11.936 5.067 1.00 0.00 H new ATOM 577 N ALA A 39 11.790 7.708 4.338 1.00 0.00 N ATOM 578 CA ALA A 39 12.352 6.468 4.857 1.00 0.00 C ATOM 579 C ALA A 39 12.511 5.420 3.757 1.00 0.00 C ATOM 580 O ALA A 39 12.684 4.236 4.043 1.00 0.00 O ATOM 581 CB ALA A 39 11.468 5.924 5.968 1.00 0.00 C ATOM 0 H ALA A 39 10.791 7.821 4.510 1.00 0.00 H new ATOM 0 HA ALA A 39 13.343 6.689 5.254 1.00 0.00 H new ATOM 0 HB1 ALA A 39 11.894 4.997 6.351 1.00 0.00 H new ATOM 0 HB2 ALA A 39 11.405 6.655 6.774 1.00 0.00 H new ATOM 0 HB3 ALA A 39 10.470 5.730 5.576 1.00 0.00 H new ATOM 587 N LYS A 40 12.435 5.854 2.498 1.00 0.00 N ATOM 588 CA LYS A 40 12.555 4.942 1.369 1.00 0.00 C ATOM 589 C LYS A 40 11.393 3.957 1.360 1.00 0.00 C ATOM 590 O LYS A 40 11.521 2.827 0.893 1.00 0.00 O ATOM 591 CB LYS A 40 13.887 4.191 1.420 1.00 0.00 C ATOM 592 CG LYS A 40 15.099 5.100 1.291 1.00 0.00 C ATOM 593 CD LYS A 40 15.488 5.303 -0.164 1.00 0.00 C ATOM 594 CE LYS A 40 16.784 6.086 -0.292 1.00 0.00 C ATOM 595 NZ LYS A 40 17.239 6.175 -1.707 1.00 0.00 N ATOM 0 H LYS A 40 12.291 6.830 2.239 1.00 0.00 H new ATOM 0 HA LYS A 40 12.526 5.527 0.450 1.00 0.00 H new ATOM 0 HB2 LYS A 40 13.951 3.644 2.361 1.00 0.00 H new ATOM 0 HB3 LYS A 40 13.910 3.452 0.619 1.00 0.00 H new ATOM 0 HG2 LYS A 40 14.882 6.065 1.749 1.00 0.00 H new ATOM 0 HG3 LYS A 40 15.938 4.669 1.837 1.00 0.00 H new ATOM 0 HD2 LYS A 40 15.598 4.334 -0.650 1.00 0.00 H new ATOM 0 HD3 LYS A 40 14.690 5.832 -0.684 1.00 0.00 H new ATOM 0 HE2 LYS A 40 16.643 7.090 0.108 1.00 0.00 H new ATOM 0 HE3 LYS A 40 17.558 5.609 0.309 1.00 0.00 H new ATOM 0 HZ1 LYS A 40 18.126 6.716 -1.753 1.00 0.00 H new ATOM 0 HZ2 LYS A 40 17.398 5.218 -2.081 1.00 0.00 H new ATOM 0 HZ3 LYS A 40 16.512 6.653 -2.276 1.00 0.00 H new ATOM 609 N ILE A 41 10.255 4.405 1.885 1.00 0.00 N ATOM 610 CA ILE A 41 9.059 3.578 1.946 1.00 0.00 C ATOM 611 C ILE A 41 8.569 3.222 0.547 1.00 0.00 C ATOM 612 O ILE A 41 7.883 2.219 0.353 1.00 0.00 O ATOM 613 CB ILE A 41 7.929 4.301 2.713 1.00 0.00 C ATOM 614 CG1 ILE A 41 8.421 4.738 4.097 1.00 0.00 C ATOM 615 CG2 ILE A 41 6.695 3.417 2.838 1.00 0.00 C ATOM 616 CD1 ILE A 41 8.473 6.239 4.265 1.00 0.00 C ATOM 0 H ILE A 41 10.139 5.340 2.275 1.00 0.00 H new ATOM 0 HA ILE A 41 9.323 2.662 2.475 1.00 0.00 H new ATOM 0 HB ILE A 41 7.648 5.188 2.145 1.00 0.00 H new ATOM 0 HG12 ILE A 41 7.765 4.316 4.858 1.00 0.00 H new ATOM 0 HG13 ILE A 41 9.415 4.325 4.269 1.00 0.00 H new ATOM 0 HG21 ILE A 41 5.917 3.953 3.382 1.00 0.00 H new ATOM 0 HG22 ILE A 41 6.330 3.159 1.844 1.00 0.00 H new ATOM 0 HG23 ILE A 41 6.953 2.506 3.378 1.00 0.00 H new ATOM 0 HD11 ILE A 41 8.829 6.481 5.266 1.00 0.00 H new ATOM 0 HD12 ILE A 41 9.152 6.665 3.526 1.00 0.00 H new ATOM 0 HD13 ILE A 41 7.476 6.656 4.124 1.00 0.00 H new ATOM 628 N ALA A 42 8.924 4.052 -0.423 1.00 0.00 N ATOM 629 CA ALA A 42 8.515 3.825 -1.801 1.00 0.00 C ATOM 630 C ALA A 42 9.165 2.567 -2.375 1.00 0.00 C ATOM 631 O ALA A 42 8.532 1.509 -2.454 1.00 0.00 O ATOM 632 CB ALA A 42 8.844 5.041 -2.658 1.00 0.00 C ATOM 0 H ALA A 42 9.493 4.887 -0.282 1.00 0.00 H new ATOM 0 HA ALA A 42 7.436 3.672 -1.811 1.00 0.00 H new ATOM 0 HB1 ALA A 42 8.532 4.857 -3.686 1.00 0.00 H new ATOM 0 HB2 ALA A 42 8.317 5.913 -2.270 1.00 0.00 H new ATOM 0 HB3 ALA A 42 9.918 5.225 -2.632 1.00 0.00 H new ATOM 638 N ILE A 43 10.429 2.683 -2.773 1.00 0.00 N ATOM 639 CA ILE A 43 11.157 1.552 -3.338 1.00 0.00 C ATOM 640 C ILE A 43 11.038 0.326 -2.438 1.00 0.00 C ATOM 641 O ILE A 43 10.835 -0.792 -2.914 1.00 0.00 O ATOM 642 CB ILE A 43 12.653 1.869 -3.543 1.00 0.00 C ATOM 643 CG1 ILE A 43 12.842 3.243 -4.195 1.00 0.00 C ATOM 644 CG2 ILE A 43 13.310 0.785 -4.387 1.00 0.00 C ATOM 645 CD1 ILE A 43 12.182 3.372 -5.551 1.00 0.00 C ATOM 0 H ILE A 43 10.969 3.547 -2.715 1.00 0.00 H new ATOM 0 HA ILE A 43 10.706 1.348 -4.309 1.00 0.00 H new ATOM 0 HB ILE A 43 13.132 1.893 -2.564 1.00 0.00 H new ATOM 0 HG12 ILE A 43 12.440 4.008 -3.531 1.00 0.00 H new ATOM 0 HG13 ILE A 43 13.909 3.441 -4.300 1.00 0.00 H new ATOM 0 HG21 ILE A 43 14.365 1.020 -4.524 1.00 0.00 H new ATOM 0 HG22 ILE A 43 13.215 -0.176 -3.882 1.00 0.00 H new ATOM 0 HG23 ILE A 43 12.820 0.734 -5.359 1.00 0.00 H new ATOM 0 HD11 ILE A 43 12.360 4.371 -5.948 1.00 0.00 H new ATOM 0 HD12 ILE A 43 12.601 2.631 -6.232 1.00 0.00 H new ATOM 0 HD13 ILE A 43 11.109 3.207 -5.451 1.00 0.00 H new ATOM 657 N ALA A 44 11.163 0.548 -1.133 1.00 0.00 N ATOM 658 CA ALA A 44 11.069 -0.532 -0.160 1.00 0.00 C ATOM 659 C ALA A 44 9.731 -1.253 -0.266 1.00 0.00 C ATOM 660 O ALA A 44 9.679 -2.411 -0.683 1.00 0.00 O ATOM 661 CB ALA A 44 11.281 0.003 1.248 1.00 0.00 C ATOM 0 H ALA A 44 11.330 1.468 -0.726 1.00 0.00 H new ATOM 0 HA ALA A 44 11.855 -1.255 -0.379 1.00 0.00 H new ATOM 0 HB1 ALA A 44 11.208 -0.816 1.963 1.00 0.00 H new ATOM 0 HB2 ALA A 44 12.268 0.459 1.319 1.00 0.00 H new ATOM 0 HB3 ALA A 44 10.519 0.750 1.472 1.00 0.00 H new ATOM 667 N GLU A 45 8.653 -0.564 0.114 1.00 0.00 N ATOM 668 CA GLU A 45 7.304 -1.135 0.060 1.00 0.00 C ATOM 669 C GLU A 45 7.157 -2.085 -1.125 1.00 0.00 C ATOM 670 O GLU A 45 6.588 -3.170 -1.000 1.00 0.00 O ATOM 671 CB GLU A 45 6.268 -0.020 -0.034 1.00 0.00 C ATOM 672 CG GLU A 45 4.833 -0.518 -0.099 1.00 0.00 C ATOM 673 CD GLU A 45 4.248 -0.423 -1.495 1.00 0.00 C ATOM 674 OE1 GLU A 45 5.035 -0.350 -2.463 1.00 0.00 O ATOM 675 OE2 GLU A 45 3.006 -0.419 -1.620 1.00 0.00 O ATOM 0 H GLU A 45 8.688 0.394 0.464 1.00 0.00 H new ATOM 0 HA GLU A 45 7.139 -1.704 0.975 1.00 0.00 H new ATOM 0 HB2 GLU A 45 6.376 0.637 0.829 1.00 0.00 H new ATOM 0 HB3 GLU A 45 6.474 0.581 -0.920 1.00 0.00 H new ATOM 0 HG2 GLU A 45 4.796 -1.554 0.237 1.00 0.00 H new ATOM 0 HG3 GLU A 45 4.219 0.063 0.589 1.00 0.00 H new ATOM 682 N GLY A 46 7.701 -1.679 -2.268 1.00 0.00 N ATOM 683 CA GLY A 46 7.644 -2.520 -3.448 1.00 0.00 C ATOM 684 C GLY A 46 8.334 -3.850 -3.212 1.00 0.00 C ATOM 685 O GLY A 46 7.680 -4.888 -3.099 1.00 0.00 O ATOM 0 H GLY A 46 8.178 -0.787 -2.397 1.00 0.00 H new ATOM 0 HA2 GLY A 46 6.604 -2.692 -3.725 1.00 0.00 H new ATOM 0 HA3 GLY A 46 8.116 -2.007 -4.286 1.00 0.00 H new ATOM 689 N GLN A 47 9.665 -3.817 -3.153 1.00 0.00 N ATOM 690 CA GLN A 47 10.470 -5.024 -2.944 1.00 0.00 C ATOM 691 C GLN A 47 9.984 -5.860 -1.759 1.00 0.00 C ATOM 692 O GLN A 47 10.450 -6.982 -1.558 1.00 0.00 O ATOM 693 CB GLN A 47 11.947 -4.663 -2.761 1.00 0.00 C ATOM 694 CG GLN A 47 12.206 -3.583 -1.721 1.00 0.00 C ATOM 695 CD GLN A 47 13.654 -3.568 -1.264 1.00 0.00 C ATOM 696 OE1 GLN A 47 14.448 -4.421 -1.661 1.00 0.00 O ATOM 697 NE2 GLN A 47 14.009 -2.600 -0.427 1.00 0.00 N ATOM 0 H GLN A 47 10.213 -2.962 -3.248 1.00 0.00 H new ATOM 0 HA GLN A 47 10.354 -5.635 -3.839 1.00 0.00 H new ATOM 0 HB2 GLN A 47 12.496 -5.561 -2.478 1.00 0.00 H new ATOM 0 HB3 GLN A 47 12.349 -4.332 -3.719 1.00 0.00 H new ATOM 0 HG2 GLN A 47 11.947 -2.609 -2.137 1.00 0.00 H new ATOM 0 HG3 GLN A 47 11.556 -3.745 -0.861 1.00 0.00 H new ATOM 0 HE21 GLN A 47 13.321 -1.912 -0.122 1.00 0.00 H new ATOM 0 HE22 GLN A 47 14.970 -2.544 -0.090 1.00 0.00 H new ATOM 706 N VAL A 48 9.046 -5.329 -0.980 1.00 0.00 N ATOM 707 CA VAL A 48 8.526 -6.063 0.160 1.00 0.00 C ATOM 708 C VAL A 48 7.583 -7.170 -0.308 1.00 0.00 C ATOM 709 O VAL A 48 8.034 -8.283 -0.568 1.00 0.00 O ATOM 710 CB VAL A 48 7.807 -5.144 1.162 1.00 0.00 C ATOM 711 CG1 VAL A 48 7.284 -5.953 2.342 1.00 0.00 C ATOM 712 CG2 VAL A 48 8.744 -4.046 1.629 1.00 0.00 C ATOM 0 H VAL A 48 8.637 -4.405 -1.118 1.00 0.00 H new ATOM 0 HA VAL A 48 9.378 -6.506 0.676 1.00 0.00 H new ATOM 0 HB VAL A 48 6.955 -4.679 0.667 1.00 0.00 H new ATOM 0 HG11 VAL A 48 6.778 -5.289 3.043 1.00 0.00 H new ATOM 0 HG12 VAL A 48 6.582 -6.706 1.984 1.00 0.00 H new ATOM 0 HG13 VAL A 48 8.117 -6.443 2.845 1.00 0.00 H new ATOM 0 HG21 VAL A 48 8.224 -3.401 2.338 1.00 0.00 H new ATOM 0 HG22 VAL A 48 9.613 -4.491 2.113 1.00 0.00 H new ATOM 0 HG23 VAL A 48 9.068 -3.456 0.772 1.00 0.00 H new ATOM 722 N LYS A 49 6.286 -6.881 -0.432 1.00 0.00 N ATOM 723 CA LYS A 49 5.341 -7.899 -0.885 1.00 0.00 C ATOM 724 C LYS A 49 3.962 -7.307 -1.162 1.00 0.00 C ATOM 725 O LYS A 49 3.427 -6.546 -0.355 1.00 0.00 O ATOM 726 CB LYS A 49 5.220 -9.007 0.166 1.00 0.00 C ATOM 727 CG LYS A 49 5.970 -10.281 -0.190 1.00 0.00 C ATOM 728 CD LYS A 49 5.280 -11.044 -1.309 1.00 0.00 C ATOM 729 CE LYS A 49 5.070 -12.503 -0.938 1.00 0.00 C ATOM 730 NZ LYS A 49 4.026 -13.145 -1.783 1.00 0.00 N ATOM 0 H LYS A 49 5.874 -5.970 -0.230 1.00 0.00 H new ATOM 0 HA LYS A 49 5.725 -8.313 -1.817 1.00 0.00 H new ATOM 0 HB2 LYS A 49 5.593 -8.632 1.119 1.00 0.00 H new ATOM 0 HB3 LYS A 49 4.166 -9.246 0.308 1.00 0.00 H new ATOM 0 HG2 LYS A 49 6.987 -10.032 -0.492 1.00 0.00 H new ATOM 0 HG3 LYS A 49 6.046 -10.917 0.692 1.00 0.00 H new ATOM 0 HD2 LYS A 49 4.318 -10.581 -1.528 1.00 0.00 H new ATOM 0 HD3 LYS A 49 5.879 -10.981 -2.218 1.00 0.00 H new ATOM 0 HE2 LYS A 49 6.010 -13.044 -1.048 1.00 0.00 H new ATOM 0 HE3 LYS A 49 4.782 -12.573 0.111 1.00 0.00 H new ATOM 0 HZ1 LYS A 49 3.912 -14.139 -1.499 1.00 0.00 H new ATOM 0 HZ2 LYS A 49 3.123 -12.644 -1.659 1.00 0.00 H new ATOM 0 HZ3 LYS A 49 4.312 -13.101 -2.782 1.00 0.00 H new ATOM 744 N VAL A 50 3.385 -7.681 -2.300 1.00 0.00 N ATOM 745 CA VAL A 50 2.061 -7.214 -2.678 1.00 0.00 C ATOM 746 C VAL A 50 1.195 -8.396 -3.090 1.00 0.00 C ATOM 747 O VAL A 50 1.697 -9.379 -3.633 1.00 0.00 O ATOM 748 CB VAL A 50 2.117 -6.203 -3.839 1.00 0.00 C ATOM 749 CG1 VAL A 50 0.744 -5.596 -4.079 1.00 0.00 C ATOM 750 CG2 VAL A 50 3.151 -5.118 -3.566 1.00 0.00 C ATOM 0 H VAL A 50 3.818 -8.309 -2.977 1.00 0.00 H new ATOM 0 HA VAL A 50 1.632 -6.713 -1.810 1.00 0.00 H new ATOM 0 HB VAL A 50 2.421 -6.733 -4.742 1.00 0.00 H new ATOM 0 HG11 VAL A 50 0.800 -4.884 -4.902 1.00 0.00 H new ATOM 0 HG12 VAL A 50 0.036 -6.386 -4.330 1.00 0.00 H new ATOM 0 HG13 VAL A 50 0.410 -5.083 -3.177 1.00 0.00 H new ATOM 0 HG21 VAL A 50 3.171 -4.417 -4.400 1.00 0.00 H new ATOM 0 HG22 VAL A 50 2.888 -4.587 -2.651 1.00 0.00 H new ATOM 0 HG23 VAL A 50 4.135 -5.573 -3.451 1.00 0.00 H new ATOM 760 N ASP A 51 -0.102 -8.304 -2.826 1.00 0.00 N ATOM 761 CA ASP A 51 -1.022 -9.378 -3.175 1.00 0.00 C ATOM 762 C ASP A 51 -1.070 -9.570 -4.686 1.00 0.00 C ATOM 763 O ASP A 51 -1.985 -9.095 -5.358 1.00 0.00 O ATOM 764 CB ASP A 51 -2.415 -9.071 -2.631 1.00 0.00 C ATOM 765 CG ASP A 51 -3.022 -10.239 -1.880 1.00 0.00 C ATOM 766 OD1 ASP A 51 -2.260 -11.114 -1.422 1.00 0.00 O ATOM 767 OD2 ASP A 51 -4.264 -10.273 -1.744 1.00 0.00 O ATOM 0 H ASP A 51 -0.539 -7.501 -2.374 1.00 0.00 H new ATOM 0 HA ASP A 51 -0.666 -10.304 -2.724 1.00 0.00 H new ATOM 0 HB2 ASP A 51 -2.359 -8.208 -1.968 1.00 0.00 H new ATOM 0 HB3 ASP A 51 -3.070 -8.796 -3.457 1.00 0.00 H new ATOM 772 N GLY A 52 -0.068 -10.264 -5.214 1.00 0.00 N ATOM 773 CA GLY A 52 0.000 -10.503 -6.641 1.00 0.00 C ATOM 774 C GLY A 52 1.316 -10.052 -7.245 1.00 0.00 C ATOM 775 O GLY A 52 1.633 -10.403 -8.382 1.00 0.00 O ATOM 0 H GLY A 52 0.700 -10.666 -4.676 1.00 0.00 H new ATOM 0 HA2 GLY A 52 -0.139 -11.567 -6.835 1.00 0.00 H new ATOM 0 HA3 GLY A 52 -0.820 -9.980 -7.133 1.00 0.00 H new ATOM 779 N ALA A 53 2.089 -9.268 -6.491 1.00 0.00 N ATOM 780 CA ALA A 53 3.371 -8.777 -6.977 1.00 0.00 C ATOM 781 C ALA A 53 4.448 -8.897 -5.906 1.00 0.00 C ATOM 782 O ALA A 53 4.233 -8.537 -4.748 1.00 0.00 O ATOM 783 CB ALA A 53 3.240 -7.334 -7.441 1.00 0.00 C ATOM 0 H ALA A 53 1.848 -8.963 -5.548 1.00 0.00 H new ATOM 0 HA ALA A 53 3.671 -9.394 -7.824 1.00 0.00 H new ATOM 0 HB1 ALA A 53 4.205 -6.979 -7.802 1.00 0.00 H new ATOM 0 HB2 ALA A 53 2.508 -7.276 -8.246 1.00 0.00 H new ATOM 0 HB3 ALA A 53 2.913 -6.712 -6.608 1.00 0.00 H new ATOM 789 N VAL A 54 5.617 -9.377 -6.312 1.00 0.00 N ATOM 790 CA VAL A 54 6.752 -9.521 -5.415 1.00 0.00 C ATOM 791 C VAL A 54 7.969 -8.794 -5.994 1.00 0.00 C ATOM 792 O VAL A 54 9.109 -9.218 -5.806 1.00 0.00 O ATOM 793 CB VAL A 54 7.086 -11.010 -5.188 1.00 0.00 C ATOM 794 CG1 VAL A 54 7.610 -11.656 -6.463 1.00 0.00 C ATOM 795 CG2 VAL A 54 8.074 -11.181 -4.042 1.00 0.00 C ATOM 0 H VAL A 54 5.803 -9.676 -7.269 1.00 0.00 H new ATOM 0 HA VAL A 54 6.491 -9.078 -4.454 1.00 0.00 H new ATOM 0 HB VAL A 54 6.163 -11.519 -4.912 1.00 0.00 H new ATOM 0 HG11 VAL A 54 7.837 -12.705 -6.273 1.00 0.00 H new ATOM 0 HG12 VAL A 54 6.854 -11.584 -7.245 1.00 0.00 H new ATOM 0 HG13 VAL A 54 8.515 -11.142 -6.786 1.00 0.00 H new ATOM 0 HG21 VAL A 54 8.292 -12.240 -3.904 1.00 0.00 H new ATOM 0 HG22 VAL A 54 8.996 -10.648 -4.274 1.00 0.00 H new ATOM 0 HG23 VAL A 54 7.642 -10.777 -3.126 1.00 0.00 H new ATOM 805 N GLU A 55 7.711 -7.716 -6.730 1.00 0.00 N ATOM 806 CA GLU A 55 8.780 -6.952 -7.370 1.00 0.00 C ATOM 807 C GLU A 55 9.058 -5.634 -6.634 1.00 0.00 C ATOM 808 O GLU A 55 8.871 -5.544 -5.422 1.00 0.00 O ATOM 809 CB GLU A 55 8.416 -6.699 -8.838 1.00 0.00 C ATOM 810 CG GLU A 55 8.367 -7.966 -9.674 1.00 0.00 C ATOM 811 CD GLU A 55 7.171 -8.006 -10.604 1.00 0.00 C ATOM 812 OE1 GLU A 55 7.289 -7.512 -11.745 1.00 0.00 O ATOM 813 OE2 GLU A 55 6.115 -8.532 -10.192 1.00 0.00 O ATOM 0 H GLU A 55 6.773 -7.352 -6.898 1.00 0.00 H new ATOM 0 HA GLU A 55 9.699 -7.536 -7.323 1.00 0.00 H new ATOM 0 HB2 GLU A 55 7.446 -6.204 -8.884 1.00 0.00 H new ATOM 0 HB3 GLU A 55 9.144 -6.014 -9.272 1.00 0.00 H new ATOM 0 HG2 GLU A 55 9.282 -8.045 -10.261 1.00 0.00 H new ATOM 0 HG3 GLU A 55 8.337 -8.832 -9.013 1.00 0.00 H new ATOM 820 N THR A 56 9.513 -4.616 -7.373 1.00 0.00 N ATOM 821 CA THR A 56 9.820 -3.321 -6.772 1.00 0.00 C ATOM 822 C THR A 56 10.084 -2.247 -7.824 1.00 0.00 C ATOM 823 O THR A 56 11.205 -1.751 -7.945 1.00 0.00 O ATOM 824 CB THR A 56 11.041 -3.442 -5.864 1.00 0.00 C ATOM 825 OG1 THR A 56 11.423 -2.172 -5.364 1.00 0.00 O ATOM 826 CG2 THR A 56 12.244 -4.040 -6.556 1.00 0.00 C ATOM 0 H THR A 56 9.674 -4.666 -8.379 1.00 0.00 H new ATOM 0 HA THR A 56 8.947 -3.021 -6.193 1.00 0.00 H new ATOM 0 HB THR A 56 10.735 -4.109 -5.058 1.00 0.00 H new ATOM 0 HG1 THR A 56 11.677 -1.589 -6.110 1.00 0.00 H new ATOM 0 HG21 THR A 56 13.076 -4.097 -5.854 1.00 0.00 H new ATOM 0 HG22 THR A 56 11.999 -5.041 -6.911 1.00 0.00 H new ATOM 0 HG23 THR A 56 12.526 -3.413 -7.402 1.00 0.00 H new ATOM 834 N ARG A 57 9.056 -1.875 -8.573 1.00 0.00 N ATOM 835 CA ARG A 57 9.203 -0.845 -9.592 1.00 0.00 C ATOM 836 C ARG A 57 8.800 0.516 -9.036 1.00 0.00 C ATOM 837 O ARG A 57 8.310 0.613 -7.911 1.00 0.00 O ATOM 838 CB ARG A 57 8.355 -1.184 -10.817 1.00 0.00 C ATOM 839 CG ARG A 57 8.974 -2.250 -11.705 1.00 0.00 C ATOM 840 CD ARG A 57 8.760 -1.944 -13.179 1.00 0.00 C ATOM 841 NE ARG A 57 9.945 -1.347 -13.791 1.00 0.00 N ATOM 842 CZ ARG A 57 10.471 -1.743 -14.950 1.00 0.00 C ATOM 843 NH1 ARG A 57 9.917 -2.731 -15.643 1.00 0.00 N ATOM 844 NH2 ARG A 57 11.555 -1.144 -15.423 1.00 0.00 N ATOM 0 H ARG A 57 8.118 -2.267 -8.496 1.00 0.00 H new ATOM 0 HA ARG A 57 10.250 -0.804 -9.891 1.00 0.00 H new ATOM 0 HB2 ARG A 57 7.373 -1.522 -10.487 1.00 0.00 H new ATOM 0 HB3 ARG A 57 8.200 -0.279 -11.404 1.00 0.00 H new ATOM 0 HG2 ARG A 57 10.042 -2.321 -11.499 1.00 0.00 H new ATOM 0 HG3 ARG A 57 8.538 -3.220 -11.467 1.00 0.00 H new ATOM 0 HD2 ARG A 57 8.503 -2.863 -13.707 1.00 0.00 H new ATOM 0 HD3 ARG A 57 7.914 -1.266 -13.290 1.00 0.00 H new ATOM 0 HE ARG A 57 10.399 -0.577 -13.299 1.00 0.00 H new ATOM 0 HH11 ARG A 57 9.080 -3.195 -15.290 1.00 0.00 H new ATOM 0 HH12 ARG A 57 10.328 -3.026 -16.529 1.00 0.00 H new ATOM 0 HH21 ARG A 57 11.985 -0.381 -14.900 1.00 0.00 H new ATOM 0 HH22 ARG A 57 11.959 -1.446 -16.310 1.00 0.00 H new ATOM 858 N LYS A 58 9.001 1.564 -9.827 1.00 0.00 N ATOM 859 CA LYS A 58 8.646 2.911 -9.401 1.00 0.00 C ATOM 860 C LYS A 58 7.137 3.102 -9.463 1.00 0.00 C ATOM 861 O LYS A 58 6.523 3.605 -8.524 1.00 0.00 O ATOM 862 CB LYS A 58 9.345 3.954 -10.274 1.00 0.00 C ATOM 863 CG LYS A 58 10.861 3.830 -10.274 1.00 0.00 C ATOM 864 CD LYS A 58 11.521 5.068 -10.861 1.00 0.00 C ATOM 865 CE LYS A 58 12.045 5.991 -9.771 1.00 0.00 C ATOM 866 NZ LYS A 58 10.957 6.804 -9.161 1.00 0.00 N ATOM 0 H LYS A 58 9.406 1.507 -10.762 1.00 0.00 H new ATOM 0 HA LYS A 58 8.977 3.045 -8.371 1.00 0.00 H new ATOM 0 HB2 LYS A 58 8.981 3.862 -11.297 1.00 0.00 H new ATOM 0 HB3 LYS A 58 9.070 4.950 -9.926 1.00 0.00 H new ATOM 0 HG2 LYS A 58 11.215 3.677 -9.254 1.00 0.00 H new ATOM 0 HG3 LYS A 58 11.155 2.952 -10.849 1.00 0.00 H new ATOM 0 HD2 LYS A 58 12.343 4.769 -11.512 1.00 0.00 H new ATOM 0 HD3 LYS A 58 10.803 5.606 -11.480 1.00 0.00 H new ATOM 0 HE2 LYS A 58 12.533 5.398 -8.997 1.00 0.00 H new ATOM 0 HE3 LYS A 58 12.802 6.654 -10.190 1.00 0.00 H new ATOM 0 HZ1 LYS A 58 11.369 7.502 -8.509 1.00 0.00 H new ATOM 0 HZ2 LYS A 58 10.431 7.298 -9.910 1.00 0.00 H new ATOM 0 HZ3 LYS A 58 10.310 6.181 -8.637 1.00 0.00 H new ATOM 880 N ARG A 59 6.543 2.678 -10.573 1.00 0.00 N ATOM 881 CA ARG A 59 5.102 2.783 -10.757 1.00 0.00 C ATOM 882 C ARG A 59 4.444 1.428 -10.516 1.00 0.00 C ATOM 883 O ARG A 59 4.896 0.407 -11.035 1.00 0.00 O ATOM 884 CB ARG A 59 4.774 3.292 -12.164 1.00 0.00 C ATOM 885 CG ARG A 59 5.225 2.357 -13.276 1.00 0.00 C ATOM 886 CD ARG A 59 6.486 2.863 -13.961 1.00 0.00 C ATOM 887 NE ARG A 59 6.216 3.998 -14.844 1.00 0.00 N ATOM 888 CZ ARG A 59 6.820 4.193 -16.016 1.00 0.00 C ATOM 889 NH1 ARG A 59 7.737 3.338 -16.457 1.00 0.00 N ATOM 890 NH2 ARG A 59 6.506 5.251 -16.750 1.00 0.00 N ATOM 0 H ARG A 59 7.039 2.258 -11.359 1.00 0.00 H new ATOM 0 HA ARG A 59 4.710 3.499 -10.034 1.00 0.00 H new ATOM 0 HB2 ARG A 59 3.698 3.443 -12.244 1.00 0.00 H new ATOM 0 HB3 ARG A 59 5.244 4.265 -12.307 1.00 0.00 H new ATOM 0 HG2 ARG A 59 5.408 1.364 -12.865 1.00 0.00 H new ATOM 0 HG3 ARG A 59 4.427 2.255 -14.012 1.00 0.00 H new ATOM 0 HD2 ARG A 59 7.215 3.157 -13.206 1.00 0.00 H new ATOM 0 HD3 ARG A 59 6.934 2.054 -14.538 1.00 0.00 H new ATOM 0 HE ARG A 59 5.522 4.683 -14.544 1.00 0.00 H new ATOM 0 HH11 ARG A 59 7.985 2.522 -15.897 1.00 0.00 H new ATOM 0 HH12 ARG A 59 8.193 3.497 -17.356 1.00 0.00 H new ATOM 0 HH21 ARG A 59 5.804 5.912 -16.417 1.00 0.00 H new ATOM 0 HH22 ARG A 59 6.966 5.404 -17.647 1.00 0.00 H new ATOM 904 N CYS A 60 3.383 1.416 -9.719 1.00 0.00 N ATOM 905 CA CYS A 60 2.684 0.178 -9.410 1.00 0.00 C ATOM 906 C CYS A 60 1.425 0.029 -10.257 1.00 0.00 C ATOM 907 O CYS A 60 0.482 0.810 -10.133 1.00 0.00 O ATOM 908 CB CYS A 60 2.317 0.129 -7.923 1.00 0.00 C ATOM 909 SG CYS A 60 2.982 -1.307 -7.047 1.00 0.00 S ATOM 0 H CYS A 60 2.990 2.247 -9.277 1.00 0.00 H new ATOM 0 HA CYS A 60 3.355 -0.649 -9.642 1.00 0.00 H new ATOM 0 HB2 CYS A 60 2.680 1.036 -7.440 1.00 0.00 H new ATOM 0 HB3 CYS A 60 1.231 0.129 -7.827 1.00 0.00 H new ATOM 0 HG CYS A 60 2.621 -1.259 -5.799 1.00 0.00 H new ATOM 915 N LYS A 61 1.415 -0.989 -11.107 1.00 0.00 N ATOM 916 CA LYS A 61 0.270 -1.256 -11.962 1.00 0.00 C ATOM 917 C LYS A 61 -0.643 -2.281 -11.297 1.00 0.00 C ATOM 918 O LYS A 61 -0.662 -3.451 -11.682 1.00 0.00 O ATOM 919 CB LYS A 61 0.734 -1.767 -13.329 1.00 0.00 C ATOM 920 CG LYS A 61 1.083 -0.662 -14.313 1.00 0.00 C ATOM 921 CD LYS A 61 2.455 -0.067 -14.027 1.00 0.00 C ATOM 922 CE LYS A 61 3.484 -0.504 -15.060 1.00 0.00 C ATOM 923 NZ LYS A 61 3.822 0.591 -16.013 1.00 0.00 N ATOM 0 H LYS A 61 2.189 -1.643 -11.222 1.00 0.00 H new ATOM 0 HA LYS A 61 -0.285 -0.329 -12.110 1.00 0.00 H new ATOM 0 HB2 LYS A 61 1.606 -2.406 -13.190 1.00 0.00 H new ATOM 0 HB3 LYS A 61 -0.051 -2.389 -13.759 1.00 0.00 H new ATOM 0 HG2 LYS A 61 1.063 -1.059 -15.328 1.00 0.00 H new ATOM 0 HG3 LYS A 61 0.328 0.123 -14.262 1.00 0.00 H new ATOM 0 HD2 LYS A 61 2.386 1.021 -14.020 1.00 0.00 H new ATOM 0 HD3 LYS A 61 2.784 -0.372 -13.034 1.00 0.00 H new ATOM 0 HE2 LYS A 61 4.390 -0.834 -14.551 1.00 0.00 H new ATOM 0 HE3 LYS A 61 3.100 -1.360 -15.614 1.00 0.00 H new ATOM 0 HZ1 LYS A 61 3.899 0.203 -16.975 1.00 0.00 H new ATOM 0 HZ2 LYS A 61 3.075 1.314 -15.990 1.00 0.00 H new ATOM 0 HZ3 LYS A 61 4.729 1.021 -15.740 1.00 0.00 H new ATOM 937 N ILE A 62 -1.383 -1.840 -10.284 1.00 0.00 N ATOM 938 CA ILE A 62 -2.280 -2.726 -9.551 1.00 0.00 C ATOM 939 C ILE A 62 -3.654 -2.092 -9.349 1.00 0.00 C ATOM 940 O ILE A 62 -3.770 -0.890 -9.112 1.00 0.00 O ATOM 941 CB ILE A 62 -1.685 -3.095 -8.179 1.00 0.00 C ATOM 942 CG1 ILE A 62 -0.255 -3.608 -8.350 1.00 0.00 C ATOM 943 CG2 ILE A 62 -2.548 -4.137 -7.481 1.00 0.00 C ATOM 944 CD1 ILE A 62 0.412 -3.992 -7.048 1.00 0.00 C ATOM 0 H ILE A 62 -1.379 -0.875 -9.953 1.00 0.00 H new ATOM 0 HA ILE A 62 -2.397 -3.629 -10.151 1.00 0.00 H new ATOM 0 HB ILE A 62 -1.665 -2.201 -7.556 1.00 0.00 H new ATOM 0 HG12 ILE A 62 -0.266 -4.474 -9.012 1.00 0.00 H new ATOM 0 HG13 ILE A 62 0.341 -2.839 -8.841 1.00 0.00 H new ATOM 0 HG21 ILE A 62 -2.110 -4.384 -6.514 1.00 0.00 H new ATOM 0 HG22 ILE A 62 -3.552 -3.739 -7.334 1.00 0.00 H new ATOM 0 HG23 ILE A 62 -2.601 -5.036 -8.095 1.00 0.00 H new ATOM 0 HD11 ILE A 62 1.423 -4.347 -7.248 1.00 0.00 H new ATOM 0 HD12 ILE A 62 0.455 -3.123 -6.391 1.00 0.00 H new ATOM 0 HD13 ILE A 62 -0.161 -4.784 -6.565 1.00 0.00 H new ATOM 956 N VAL A 63 -4.691 -2.918 -9.446 1.00 0.00 N ATOM 957 CA VAL A 63 -6.066 -2.462 -9.280 1.00 0.00 C ATOM 958 C VAL A 63 -6.941 -3.584 -8.732 1.00 0.00 C ATOM 959 O VAL A 63 -6.482 -4.715 -8.570 1.00 0.00 O ATOM 960 CB VAL A 63 -6.678 -1.974 -10.610 1.00 0.00 C ATOM 961 CG1 VAL A 63 -6.392 -0.498 -10.827 1.00 0.00 C ATOM 962 CG2 VAL A 63 -6.167 -2.804 -11.781 1.00 0.00 C ATOM 0 H VAL A 63 -4.603 -3.915 -9.641 1.00 0.00 H new ATOM 0 HA VAL A 63 -6.035 -1.628 -8.578 1.00 0.00 H new ATOM 0 HB VAL A 63 -7.759 -2.104 -10.552 1.00 0.00 H new ATOM 0 HG11 VAL A 63 -6.833 -0.177 -11.771 1.00 0.00 H new ATOM 0 HG12 VAL A 63 -6.823 0.080 -10.010 1.00 0.00 H new ATOM 0 HG13 VAL A 63 -5.314 -0.337 -10.857 1.00 0.00 H new ATOM 0 HG21 VAL A 63 -6.613 -2.440 -12.707 1.00 0.00 H new ATOM 0 HG22 VAL A 63 -5.082 -2.717 -11.842 1.00 0.00 H new ATOM 0 HG23 VAL A 63 -6.440 -3.849 -11.633 1.00 0.00 H new ATOM 972 N ALA A 64 -8.206 -3.267 -8.457 1.00 0.00 N ATOM 973 CA ALA A 64 -9.158 -4.249 -7.937 1.00 0.00 C ATOM 974 C ALA A 64 -8.996 -4.443 -6.429 1.00 0.00 C ATOM 975 O ALA A 64 -8.534 -3.544 -5.727 1.00 0.00 O ATOM 976 CB ALA A 64 -9.012 -5.577 -8.676 1.00 0.00 C ATOM 0 H ALA A 64 -8.597 -2.334 -8.586 1.00 0.00 H new ATOM 0 HA ALA A 64 -10.163 -3.865 -8.110 1.00 0.00 H new ATOM 0 HB1 ALA A 64 -9.727 -6.296 -8.277 1.00 0.00 H new ATOM 0 HB2 ALA A 64 -9.204 -5.425 -9.738 1.00 0.00 H new ATOM 0 HB3 ALA A 64 -8.000 -5.959 -8.541 1.00 0.00 H new ATOM 982 N GLY A 65 -9.387 -5.618 -5.938 1.00 0.00 N ATOM 983 CA GLY A 65 -9.286 -5.905 -4.521 1.00 0.00 C ATOM 984 C GLY A 65 -7.996 -6.611 -4.160 1.00 0.00 C ATOM 985 O GLY A 65 -7.977 -7.828 -3.969 1.00 0.00 O ATOM 0 H GLY A 65 -9.773 -6.376 -6.501 1.00 0.00 H new ATOM 0 HA2 GLY A 65 -9.355 -4.973 -3.960 1.00 0.00 H new ATOM 0 HA3 GLY A 65 -10.131 -6.523 -4.218 1.00 0.00 H new ATOM 989 N GLN A 66 -6.914 -5.847 -4.065 1.00 0.00 N ATOM 990 CA GLN A 66 -5.611 -6.411 -3.722 1.00 0.00 C ATOM 991 C GLN A 66 -5.030 -5.749 -2.476 1.00 0.00 C ATOM 992 O GLN A 66 -5.458 -4.671 -2.071 1.00 0.00 O ATOM 993 CB GLN A 66 -4.636 -6.254 -4.887 1.00 0.00 C ATOM 994 CG GLN A 66 -5.224 -6.640 -6.231 1.00 0.00 C ATOM 995 CD GLN A 66 -4.193 -7.249 -7.160 1.00 0.00 C ATOM 996 OE1 GLN A 66 -2.999 -7.263 -6.855 1.00 0.00 O ATOM 997 NE2 GLN A 66 -4.647 -7.757 -8.299 1.00 0.00 N ATOM 0 H GLN A 66 -6.911 -4.839 -4.220 1.00 0.00 H new ATOM 0 HA GLN A 66 -5.757 -7.471 -3.514 1.00 0.00 H new ATOM 0 HB2 GLN A 66 -4.301 -5.218 -4.931 1.00 0.00 H new ATOM 0 HB3 GLN A 66 -3.755 -6.866 -4.697 1.00 0.00 H new ATOM 0 HG2 GLN A 66 -6.036 -7.351 -6.078 1.00 0.00 H new ATOM 0 HG3 GLN A 66 -5.657 -5.757 -6.702 1.00 0.00 H new ATOM 0 HE21 GLN A 66 -5.644 -7.724 -8.511 1.00 0.00 H new ATOM 0 HE22 GLN A 66 -3.999 -8.181 -8.963 1.00 0.00 H new ATOM 1006 N THR A 67 -4.052 -6.417 -1.873 1.00 0.00 N ATOM 1007 CA THR A 67 -3.398 -5.924 -0.663 1.00 0.00 C ATOM 1008 C THR A 67 -1.932 -5.572 -0.912 1.00 0.00 C ATOM 1009 O THR A 67 -1.304 -6.091 -1.834 1.00 0.00 O ATOM 1010 CB THR A 67 -3.480 -6.978 0.443 1.00 0.00 C ATOM 1011 OG1 THR A 67 -4.811 -7.430 0.626 1.00 0.00 O ATOM 1012 CG2 THR A 67 -2.973 -6.481 1.779 1.00 0.00 C ATOM 0 H THR A 67 -3.691 -7.311 -2.206 1.00 0.00 H new ATOM 0 HA THR A 67 -3.920 -5.017 -0.357 1.00 0.00 H new ATOM 0 HB THR A 67 -2.839 -7.792 0.106 1.00 0.00 H new ATOM 0 HG1 THR A 67 -4.833 -8.104 1.337 1.00 0.00 H new ATOM 0 HG21 THR A 67 -3.059 -7.276 2.519 1.00 0.00 H new ATOM 0 HG22 THR A 67 -1.928 -6.184 1.684 1.00 0.00 H new ATOM 0 HG23 THR A 67 -3.566 -5.624 2.097 1.00 0.00 H new ATOM 1020 N VAL A 68 -1.393 -4.693 -0.065 1.00 0.00 N ATOM 1021 CA VAL A 68 0.001 -4.269 -0.166 1.00 0.00 C ATOM 1022 C VAL A 68 0.673 -4.350 1.205 1.00 0.00 C ATOM 1023 O VAL A 68 0.032 -4.116 2.230 1.00 0.00 O ATOM 1024 CB VAL A 68 0.106 -2.828 -0.740 1.00 0.00 C ATOM 1025 CG1 VAL A 68 1.103 -1.962 0.021 1.00 0.00 C ATOM 1026 CG2 VAL A 68 0.481 -2.881 -2.207 1.00 0.00 C ATOM 0 H VAL A 68 -1.906 -4.260 0.703 1.00 0.00 H new ATOM 0 HA VAL A 68 0.516 -4.941 -0.853 1.00 0.00 H new ATOM 0 HB VAL A 68 -0.874 -2.365 -0.623 1.00 0.00 H new ATOM 0 HG11 VAL A 68 1.135 -0.967 -0.424 1.00 0.00 H new ATOM 0 HG12 VAL A 68 0.795 -1.884 1.064 1.00 0.00 H new ATOM 0 HG13 VAL A 68 2.093 -2.415 -0.032 1.00 0.00 H new ATOM 0 HG21 VAL A 68 0.552 -1.867 -2.601 1.00 0.00 H new ATOM 0 HG22 VAL A 68 1.442 -3.382 -2.319 1.00 0.00 H new ATOM 0 HG23 VAL A 68 -0.282 -3.432 -2.758 1.00 0.00 H new ATOM 1036 N SER A 69 1.961 -4.684 1.225 1.00 0.00 N ATOM 1037 CA SER A 69 2.687 -4.788 2.486 1.00 0.00 C ATOM 1038 C SER A 69 4.131 -4.301 2.350 1.00 0.00 C ATOM 1039 O SER A 69 4.805 -4.581 1.350 1.00 0.00 O ATOM 1040 CB SER A 69 2.671 -6.233 2.988 1.00 0.00 C ATOM 1041 OG SER A 69 3.508 -7.058 2.197 1.00 0.00 O ATOM 0 H SER A 69 2.517 -4.885 0.394 1.00 0.00 H new ATOM 0 HA SER A 69 2.183 -4.146 3.209 1.00 0.00 H new ATOM 0 HB2 SER A 69 3.001 -6.264 4.026 1.00 0.00 H new ATOM 0 HB3 SER A 69 1.651 -6.617 2.966 1.00 0.00 H new ATOM 0 HG SER A 69 3.634 -6.647 1.316 1.00 0.00 H new ATOM 1047 N PHE A 70 4.597 -3.572 3.369 1.00 0.00 N ATOM 1048 CA PHE A 70 5.959 -3.036 3.384 1.00 0.00 C ATOM 1049 C PHE A 70 6.684 -3.396 4.685 1.00 0.00 C ATOM 1050 O PHE A 70 7.398 -4.395 4.753 1.00 0.00 O ATOM 1051 CB PHE A 70 5.925 -1.509 3.192 1.00 0.00 C ATOM 1052 CG PHE A 70 7.228 -0.799 3.474 1.00 0.00 C ATOM 1053 CD1 PHE A 70 8.434 -1.480 3.482 1.00 0.00 C ATOM 1054 CD2 PHE A 70 7.236 0.562 3.726 1.00 0.00 C ATOM 1055 CE1 PHE A 70 9.619 -0.823 3.739 1.00 0.00 C ATOM 1056 CE2 PHE A 70 8.418 1.226 3.983 1.00 0.00 C ATOM 1057 CZ PHE A 70 9.612 0.533 3.990 1.00 0.00 C ATOM 0 H PHE A 70 4.048 -3.340 4.196 1.00 0.00 H new ATOM 0 HA PHE A 70 6.512 -3.487 2.560 1.00 0.00 H new ATOM 0 HB2 PHE A 70 5.627 -1.294 2.166 1.00 0.00 H new ATOM 0 HB3 PHE A 70 5.155 -1.094 3.842 1.00 0.00 H new ATOM 0 HD1 PHE A 70 8.447 -2.542 3.284 1.00 0.00 H new ATOM 0 HD2 PHE A 70 6.306 1.111 3.721 1.00 0.00 H new ATOM 0 HE1 PHE A 70 10.551 -1.369 3.744 1.00 0.00 H new ATOM 0 HE2 PHE A 70 8.409 2.288 4.179 1.00 0.00 H new ATOM 0 HZ PHE A 70 10.538 1.051 4.191 1.00 0.00 H new ATOM 1067 N ALA A 71 6.504 -2.575 5.714 1.00 0.00 N ATOM 1068 CA ALA A 71 7.149 -2.808 7.001 1.00 0.00 C ATOM 1069 C ALA A 71 6.190 -2.499 8.140 1.00 0.00 C ATOM 1070 O ALA A 71 6.130 -1.368 8.623 1.00 0.00 O ATOM 1071 CB ALA A 71 8.408 -1.961 7.117 1.00 0.00 C ATOM 0 H ALA A 71 5.916 -1.742 5.682 1.00 0.00 H new ATOM 0 HA ALA A 71 7.430 -3.859 7.066 1.00 0.00 H new ATOM 0 HB1 ALA A 71 8.881 -2.143 8.082 1.00 0.00 H new ATOM 0 HB2 ALA A 71 9.100 -2.226 6.318 1.00 0.00 H new ATOM 0 HB3 ALA A 71 8.146 -0.906 7.035 1.00 0.00 H new ATOM 1077 N GLY A 72 5.420 -3.502 8.544 1.00 0.00 N ATOM 1078 CA GLY A 72 4.451 -3.303 9.600 1.00 0.00 C ATOM 1079 C GLY A 72 3.142 -2.780 9.057 1.00 0.00 C ATOM 1080 O GLY A 72 2.085 -2.974 9.657 1.00 0.00 O ATOM 0 H GLY A 72 5.450 -4.446 8.159 1.00 0.00 H new ATOM 0 HA2 GLY A 72 4.280 -4.245 10.121 1.00 0.00 H new ATOM 0 HA3 GLY A 72 4.849 -2.601 10.333 1.00 0.00 H new ATOM 1084 N HIS A 73 3.216 -2.109 7.912 1.00 0.00 N ATOM 1085 CA HIS A 73 2.043 -1.547 7.279 1.00 0.00 C ATOM 1086 C HIS A 73 1.454 -2.520 6.262 1.00 0.00 C ATOM 1087 O HIS A 73 2.028 -2.740 5.193 1.00 0.00 O ATOM 1088 CB HIS A 73 2.395 -0.234 6.581 1.00 0.00 C ATOM 1089 CG HIS A 73 3.213 0.705 7.412 1.00 0.00 C ATOM 1090 ND1 HIS A 73 3.635 0.416 8.691 1.00 0.00 N ATOM 1091 CD2 HIS A 73 3.697 1.938 7.130 1.00 0.00 C ATOM 1092 CE1 HIS A 73 4.343 1.427 9.161 1.00 0.00 C ATOM 1093 NE2 HIS A 73 4.396 2.364 8.232 1.00 0.00 N ATOM 0 H HIS A 73 4.086 -1.944 7.406 1.00 0.00 H new ATOM 0 HA HIS A 73 1.301 -1.358 8.055 1.00 0.00 H new ATOM 0 HB2 HIS A 73 2.940 -0.458 5.664 1.00 0.00 H new ATOM 0 HB3 HIS A 73 1.472 0.267 6.289 1.00 0.00 H new ATOM 0 HD2 HIS A 73 3.559 2.485 6.209 1.00 0.00 H new ATOM 0 HE1 HIS A 73 4.800 1.479 10.138 1.00 0.00 H new ATOM 0 HE2 HIS A 73 4.878 3.259 8.319 1.00 0.00 H new ATOM 1101 N SER A 74 0.301 -3.082 6.597 1.00 0.00 N ATOM 1102 CA SER A 74 -0.385 -4.012 5.713 1.00 0.00 C ATOM 1103 C SER A 74 -1.765 -3.460 5.375 1.00 0.00 C ATOM 1104 O SER A 74 -2.701 -3.575 6.166 1.00 0.00 O ATOM 1105 CB SER A 74 -0.514 -5.388 6.375 1.00 0.00 C ATOM 1106 OG SER A 74 0.605 -6.212 6.085 1.00 0.00 O ATOM 0 H SER A 74 -0.180 -2.908 7.479 1.00 0.00 H new ATOM 0 HA SER A 74 0.195 -4.128 4.797 1.00 0.00 H new ATOM 0 HB2 SER A 74 -0.608 -5.266 7.454 1.00 0.00 H new ATOM 0 HB3 SER A 74 -1.425 -5.875 6.029 1.00 0.00 H new ATOM 0 HG SER A 74 0.493 -7.082 6.523 1.00 0.00 H new ATOM 1112 N VAL A 75 -1.877 -2.833 4.211 1.00 0.00 N ATOM 1113 CA VAL A 75 -3.136 -2.233 3.787 1.00 0.00 C ATOM 1114 C VAL A 75 -3.631 -2.840 2.479 1.00 0.00 C ATOM 1115 O VAL A 75 -2.837 -3.284 1.650 1.00 0.00 O ATOM 1116 CB VAL A 75 -2.976 -0.709 3.608 1.00 0.00 C ATOM 1117 CG1 VAL A 75 -4.305 -0.048 3.292 1.00 0.00 C ATOM 1118 CG2 VAL A 75 -2.335 -0.089 4.844 1.00 0.00 C ATOM 0 H VAL A 75 -1.112 -2.727 3.544 1.00 0.00 H new ATOM 0 HA VAL A 75 -3.870 -2.436 4.567 1.00 0.00 H new ATOM 0 HB VAL A 75 -2.315 -0.537 2.758 1.00 0.00 H new ATOM 0 HG11 VAL A 75 -4.158 1.025 3.172 1.00 0.00 H new ATOM 0 HG12 VAL A 75 -4.708 -0.465 2.369 1.00 0.00 H new ATOM 0 HG13 VAL A 75 -5.005 -0.229 4.108 1.00 0.00 H new ATOM 0 HG21 VAL A 75 -2.230 0.986 4.699 1.00 0.00 H new ATOM 0 HG22 VAL A 75 -2.964 -0.278 5.714 1.00 0.00 H new ATOM 0 HG23 VAL A 75 -1.352 -0.531 5.004 1.00 0.00 H new ATOM 1128 N GLN A 76 -4.948 -2.848 2.296 1.00 0.00 N ATOM 1129 CA GLN A 76 -5.543 -3.395 1.085 1.00 0.00 C ATOM 1130 C GLN A 76 -6.186 -2.291 0.257 1.00 0.00 C ATOM 1131 O GLN A 76 -6.407 -1.183 0.745 1.00 0.00 O ATOM 1132 CB GLN A 76 -6.590 -4.459 1.424 1.00 0.00 C ATOM 1133 CG GLN A 76 -6.163 -5.418 2.522 1.00 0.00 C ATOM 1134 CD GLN A 76 -7.204 -6.484 2.799 1.00 0.00 C ATOM 1135 OE1 GLN A 76 -7.971 -6.299 3.866 1.00 0.00 O flip ATOM 1136 NE2 GLN A 76 -7.320 -7.462 2.061 1.00 0.00 N flip ATOM 0 H GLN A 76 -5.621 -2.482 2.970 1.00 0.00 H new ATOM 0 HA GLN A 76 -4.746 -3.858 0.503 1.00 0.00 H new ATOM 0 HB2 GLN A 76 -7.512 -3.963 1.727 1.00 0.00 H new ATOM 0 HB3 GLN A 76 -6.817 -5.031 0.524 1.00 0.00 H new ATOM 0 HG2 GLN A 76 -5.225 -5.896 2.238 1.00 0.00 H new ATOM 0 HG3 GLN A 76 -5.971 -4.856 3.436 1.00 0.00 H new ATOM 0 HE21 GLN A 76 -6.709 -7.565 1.251 1.00 0.00 H new ATOM 0 HE22 GLN A 76 -8.027 -8.170 2.260 1.00 0.00 H new ATOM 1145 N VAL A 77 -6.474 -2.599 -1.002 1.00 0.00 N ATOM 1146 CA VAL A 77 -7.085 -1.635 -1.907 1.00 0.00 C ATOM 1147 C VAL A 77 -8.263 -2.253 -2.652 1.00 0.00 C ATOM 1148 O VAL A 77 -8.251 -3.441 -2.968 1.00 0.00 O ATOM 1149 CB VAL A 77 -6.069 -1.108 -2.940 1.00 0.00 C ATOM 1150 CG1 VAL A 77 -6.632 0.100 -3.665 1.00 0.00 C ATOM 1151 CG2 VAL A 77 -4.737 -0.770 -2.280 1.00 0.00 C ATOM 0 H VAL A 77 -6.293 -3.512 -1.420 1.00 0.00 H new ATOM 0 HA VAL A 77 -7.435 -0.805 -1.292 1.00 0.00 H new ATOM 0 HB VAL A 77 -5.887 -1.897 -3.670 1.00 0.00 H new ATOM 0 HG11 VAL A 77 -5.903 0.461 -4.391 1.00 0.00 H new ATOM 0 HG12 VAL A 77 -7.550 -0.181 -4.181 1.00 0.00 H new ATOM 0 HG13 VAL A 77 -6.848 0.889 -2.944 1.00 0.00 H new ATOM 0 HG21 VAL A 77 -4.041 -0.401 -3.033 1.00 0.00 H new ATOM 0 HG22 VAL A 77 -4.891 -0.003 -1.521 1.00 0.00 H new ATOM 0 HG23 VAL A 77 -4.325 -1.664 -1.813 1.00 0.00 H new ATOM 1161 N VAL A 78 -9.277 -1.438 -2.936 1.00 0.00 N ATOM 1162 CA VAL A 78 -10.459 -1.910 -3.653 1.00 0.00 C ATOM 1163 C VAL A 78 -10.939 -0.874 -4.665 1.00 0.00 C ATOM 1164 O VAL A 78 -10.478 0.267 -4.668 1.00 0.00 O ATOM 1165 CB VAL A 78 -11.616 -2.235 -2.690 1.00 0.00 C ATOM 1166 CG1 VAL A 78 -11.286 -3.455 -1.841 1.00 0.00 C ATOM 1167 CG2 VAL A 78 -11.939 -1.032 -1.814 1.00 0.00 C ATOM 0 H VAL A 78 -9.304 -0.451 -2.681 1.00 0.00 H new ATOM 0 HA VAL A 78 -10.163 -2.821 -4.174 1.00 0.00 H new ATOM 0 HB VAL A 78 -12.500 -2.469 -3.284 1.00 0.00 H new ATOM 0 HG11 VAL A 78 -12.117 -3.666 -1.168 1.00 0.00 H new ATOM 0 HG12 VAL A 78 -11.117 -4.315 -2.490 1.00 0.00 H new ATOM 0 HG13 VAL A 78 -10.387 -3.259 -1.256 1.00 0.00 H new ATOM 0 HG21 VAL A 78 -12.759 -1.282 -1.141 1.00 0.00 H new ATOM 0 HG22 VAL A 78 -11.060 -0.761 -1.230 1.00 0.00 H new ATOM 0 HG23 VAL A 78 -12.230 -0.191 -2.444 1.00 0.00 H new ATOM 1177 N ALA A 79 -11.871 -1.280 -5.522 1.00 0.00 N ATOM 1178 CA ALA A 79 -12.416 -0.386 -6.537 1.00 0.00 C ATOM 1179 C ALA A 79 -13.905 -0.638 -6.747 1.00 0.00 C ATOM 1180 O ALA A 79 -14.504 -1.358 -5.920 1.00 0.00 O ATOM 1181 CB ALA A 79 -11.661 -0.550 -7.847 1.00 0.00 C ATOM 1182 OXT ALA A 79 -14.460 -0.112 -7.734 1.00 0.00 O ATOM 0 H ALA A 79 -12.264 -2.221 -5.534 1.00 0.00 H new ATOM 0 HA ALA A 79 -12.293 0.639 -6.187 1.00 0.00 H new ATOM 0 HB1 ALA A 79 -12.079 0.124 -8.595 1.00 0.00 H new ATOM 0 HB2 ALA A 79 -10.609 -0.312 -7.693 1.00 0.00 H new ATOM 0 HB3 ALA A 79 -11.753 -1.579 -8.194 1.00 0.00 H new TER 1188 ALA A 79