USER MOD reduce.3.24.130724 H: found=0, std=0, add=691, rem=0, adj=28 USER MOD reduce.3.24.130724 removed 688 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 23 MET CE :methyl 160:sc= 0 (180deg=0) USER MOD Set 1.2: A 74 SER OG : rot -140: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= 0.0714 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 -9:sc= 1.01 USER MOD Single : A 12 SER OG : rot 180:sc= 0 USER MOD Single : A 15 THR OG1 : rot 180:sc= 0 USER MOD Single : A 16 SER OG : rot 180:sc= 0 USER MOD Single : A 18 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 22 THR OG1 : rot -37:sc= 1.26 USER MOD Single : A 24 THR OG1 : rot -150:sc= -0.165 USER MOD Single : A 27 SER OG : rot 180:sc= 0.142 USER MOD Single : A 32 GLN : amide:sc=-0.00195 X(o=-0.0019,f=0) USER MOD Single : A 35 SER OG : rot 180:sc= 0.0462 USER MOD Single : A 36 CYS SG : rot -160:sc= 0.0401 USER MOD Single : A 39 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 42 ASN : amide:sc= 0.956 K(o=0.96,f=-1.1) USER MOD Single : A 44 LYS NZ :NH3+ -130:sc= 0.752 (180deg=0.503) USER MOD Single : A 46 SER OG : rot 80:sc= 1.12 USER MOD Single : A 47 SER OG : rot 180:sc= 0.0307 USER MOD Single : A 48 ASN : amide:sc= -0.502 K(o=-0.5,f=-2.4!) USER MOD Single : A 51 SER OG : rot 74:sc= 1.25 USER MOD Single : A 52 GLN : amide:sc= 0.568 K(o=0.57,f=0) USER MOD Single : A 54 THR OG1 : rot 180:sc= 0 USER MOD Single : A 56 MET CE :methyl 173:sc= -0.487 (180deg=-0.769) USER MOD Single : A 57 CYS SG : rot 180:sc= 0 USER MOD Single : A 60 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 62 ASN : amide:sc= 0 X(o=0,f=-0.27) USER MOD Single : A 63 MET CE :methyl -165:sc= 0 (180deg=-0.266) USER MOD Single : A 66 CYS SG : rot 180:sc= 0 USER MOD Single : A 71 THR OG1 : rot 180:sc= 0.0441 USER MOD Single : A 72 THR OG1 : rot 180:sc= 0.0878 USER MOD Single : A 78 GLN : amide:sc= 0.258 X(o=0.26,f=0) USER MOD Single : A 82 HIS : no HE2:sc= 0.512 K(o=0.51,f=-3.2!) USER MOD Single : A 84 SER OG : rot 180:sc= 0 USER MOD Single : A 89 SER OG : rot 180:sc= 0 USER MOD ----------------------------------------------------------------- ATOM 1 N GLY A 1 -6.272 -16.732 -33.046 1.00 0.00 N ATOM 2 CA GLY A 1 -6.674 -15.503 -32.359 1.00 0.00 C ATOM 3 C GLY A 1 -6.175 -15.497 -30.926 1.00 0.00 C ATOM 4 O GLY A 1 -6.952 -15.230 -30.007 1.00 0.00 O ATOM 0 H1 GLY A 1 -6.624 -16.714 -34.024 1.00 0.00 H new ATOM 0 H2 GLY A 1 -5.234 -16.802 -33.053 1.00 0.00 H new ATOM 0 H3 GLY A 1 -6.671 -17.554 -32.549 1.00 0.00 H new ATOM 0 HA2 GLY A 1 -6.277 -14.638 -32.890 1.00 0.00 H new ATOM 0 HA3 GLY A 1 -7.760 -15.414 -32.371 1.00 0.00 H new ATOM 8 N SER A 2 -4.905 -15.832 -30.708 1.00 0.00 N ATOM 9 CA SER A 2 -4.282 -15.861 -29.400 1.00 0.00 C ATOM 10 C SER A 2 -3.769 -14.458 -29.068 1.00 0.00 C ATOM 11 O SER A 2 -3.672 -13.584 -29.938 1.00 0.00 O ATOM 12 CB SER A 2 -3.157 -16.914 -29.415 1.00 0.00 C ATOM 13 OG SER A 2 -2.519 -17.005 -30.681 1.00 0.00 O ATOM 0 H SER A 2 -4.270 -16.097 -31.461 1.00 0.00 H new ATOM 0 HA SER A 2 -4.992 -16.144 -28.623 1.00 0.00 H new ATOM 0 HB2 SER A 2 -2.417 -16.662 -28.655 1.00 0.00 H new ATOM 0 HB3 SER A 2 -3.570 -17.887 -29.148 1.00 0.00 H new ATOM 0 HG SER A 2 -1.812 -17.683 -30.643 1.00 0.00 H new ATOM 19 N SER A 3 -3.492 -14.209 -27.794 1.00 0.00 N ATOM 20 CA SER A 3 -2.970 -12.955 -27.275 1.00 0.00 C ATOM 21 C SER A 3 -2.345 -13.277 -25.918 1.00 0.00 C ATOM 22 O SER A 3 -2.381 -14.428 -25.470 1.00 0.00 O ATOM 23 CB SER A 3 -4.064 -11.875 -27.185 1.00 0.00 C ATOM 24 OG SER A 3 -3.457 -10.596 -27.188 1.00 0.00 O ATOM 0 H SER A 3 -3.632 -14.908 -27.064 1.00 0.00 H new ATOM 0 HA SER A 3 -2.220 -12.533 -27.944 1.00 0.00 H new ATOM 0 HB2 SER A 3 -4.752 -11.966 -28.026 1.00 0.00 H new ATOM 0 HB3 SER A 3 -4.651 -12.010 -26.277 1.00 0.00 H new ATOM 0 HG SER A 3 -4.150 -9.905 -27.133 1.00 0.00 H new ATOM 30 N GLY A 4 -1.774 -12.281 -25.255 1.00 0.00 N ATOM 31 CA GLY A 4 -1.123 -12.425 -23.958 1.00 0.00 C ATOM 32 C GLY A 4 0.372 -12.151 -24.085 1.00 0.00 C ATOM 33 O GLY A 4 0.841 -11.775 -25.162 1.00 0.00 O ATOM 0 H GLY A 4 -1.749 -11.326 -25.612 1.00 0.00 H new ATOM 0 HA2 GLY A 4 -1.567 -11.734 -23.241 1.00 0.00 H new ATOM 0 HA3 GLY A 4 -1.284 -13.432 -23.572 1.00 0.00 H new ATOM 37 N SER A 5 1.085 -12.263 -22.970 1.00 0.00 N ATOM 38 CA SER A 5 2.514 -12.065 -22.767 1.00 0.00 C ATOM 39 C SER A 5 2.796 -12.562 -21.334 1.00 0.00 C ATOM 40 O SER A 5 1.933 -13.207 -20.732 1.00 0.00 O ATOM 41 CB SER A 5 2.836 -10.578 -22.986 1.00 0.00 C ATOM 42 OG SER A 5 4.210 -10.351 -23.198 1.00 0.00 O ATOM 0 H SER A 5 0.628 -12.522 -22.096 1.00 0.00 H new ATOM 0 HA SER A 5 3.148 -12.613 -23.464 1.00 0.00 H new ATOM 0 HB2 SER A 5 2.273 -10.210 -23.844 1.00 0.00 H new ATOM 0 HB3 SER A 5 2.506 -10.006 -22.119 1.00 0.00 H new ATOM 0 HG SER A 5 4.366 -9.393 -23.334 1.00 0.00 H new ATOM 48 N SER A 6 3.988 -12.364 -20.761 1.00 0.00 N ATOM 49 CA SER A 6 4.267 -12.825 -19.390 1.00 0.00 C ATOM 50 C SER A 6 5.295 -11.974 -18.638 1.00 0.00 C ATOM 51 O SER A 6 5.137 -11.786 -17.430 1.00 0.00 O ATOM 52 CB SER A 6 4.680 -14.301 -19.405 1.00 0.00 C ATOM 53 OG SER A 6 3.597 -15.104 -19.838 1.00 0.00 O ATOM 0 H SER A 6 4.770 -11.893 -21.217 1.00 0.00 H new ATOM 0 HA SER A 6 3.337 -12.708 -18.833 1.00 0.00 H new ATOM 0 HB2 SER A 6 5.534 -14.441 -20.067 1.00 0.00 H new ATOM 0 HB3 SER A 6 4.995 -14.609 -18.408 1.00 0.00 H new ATOM 0 HG SER A 6 2.787 -14.556 -19.897 1.00 0.00 H new ATOM 59 N GLY A 7 6.281 -11.377 -19.311 1.00 0.00 N ATOM 60 CA GLY A 7 7.277 -10.553 -18.640 1.00 0.00 C ATOM 61 C GLY A 7 8.336 -11.419 -17.967 1.00 0.00 C ATOM 62 O GLY A 7 8.435 -11.475 -16.740 1.00 0.00 O ATOM 0 H GLY A 7 6.407 -11.452 -20.320 1.00 0.00 H new ATOM 0 HA2 GLY A 7 7.751 -9.888 -19.362 1.00 0.00 H new ATOM 0 HA3 GLY A 7 6.791 -9.922 -17.896 1.00 0.00 H new ATOM 66 N PHE A 8 9.161 -12.069 -18.788 1.00 0.00 N ATOM 67 CA PHE A 8 10.258 -12.947 -18.385 1.00 0.00 C ATOM 68 C PHE A 8 11.428 -12.187 -17.723 1.00 0.00 C ATOM 69 O PHE A 8 12.499 -12.760 -17.519 1.00 0.00 O ATOM 70 CB PHE A 8 10.736 -13.702 -19.643 1.00 0.00 C ATOM 71 CG PHE A 8 11.754 -14.804 -19.415 1.00 0.00 C ATOM 72 CD1 PHE A 8 11.494 -15.844 -18.501 1.00 0.00 C ATOM 73 CD2 PHE A 8 12.986 -14.768 -20.095 1.00 0.00 C ATOM 74 CE1 PHE A 8 12.484 -16.801 -18.224 1.00 0.00 C ATOM 75 CE2 PHE A 8 13.970 -15.729 -19.818 1.00 0.00 C ATOM 76 CZ PHE A 8 13.731 -16.734 -18.867 1.00 0.00 C ATOM 0 H PHE A 8 9.078 -11.993 -19.802 1.00 0.00 H new ATOM 0 HA PHE A 8 9.895 -13.639 -17.625 1.00 0.00 H new ATOM 0 HB2 PHE A 8 9.865 -14.136 -20.134 1.00 0.00 H new ATOM 0 HB3 PHE A 8 11.164 -12.978 -20.336 1.00 0.00 H new ATOM 0 HD1 PHE A 8 10.533 -15.905 -18.013 1.00 0.00 H new ATOM 0 HD2 PHE A 8 13.174 -14.000 -20.831 1.00 0.00 H new ATOM 0 HE1 PHE A 8 12.286 -17.591 -17.514 1.00 0.00 H new ATOM 0 HE2 PHE A 8 14.916 -15.696 -20.339 1.00 0.00 H new ATOM 0 HZ PHE A 8 14.502 -17.452 -18.631 1.00 0.00 H new ATOM 86 N GLU A 9 11.279 -10.903 -17.397 1.00 0.00 N ATOM 87 CA GLU A 9 12.316 -10.080 -16.797 1.00 0.00 C ATOM 88 C GLU A 9 12.065 -9.849 -15.291 1.00 0.00 C ATOM 89 O GLU A 9 11.179 -9.062 -14.947 1.00 0.00 O ATOM 90 CB GLU A 9 12.379 -8.772 -17.597 1.00 0.00 C ATOM 91 CG GLU A 9 13.689 -8.041 -17.311 1.00 0.00 C ATOM 92 CD GLU A 9 13.673 -6.647 -17.931 1.00 0.00 C ATOM 93 OE1 GLU A 9 13.818 -6.533 -19.171 1.00 0.00 O ATOM 94 OE2 GLU A 9 13.520 -5.659 -17.170 1.00 0.00 O ATOM 0 H GLU A 9 10.406 -10.397 -17.550 1.00 0.00 H new ATOM 0 HA GLU A 9 13.281 -10.584 -16.845 1.00 0.00 H new ATOM 0 HB2 GLU A 9 12.298 -8.985 -18.663 1.00 0.00 H new ATOM 0 HB3 GLU A 9 11.534 -8.135 -17.334 1.00 0.00 H new ATOM 0 HG2 GLU A 9 13.841 -7.964 -16.234 1.00 0.00 H new ATOM 0 HG3 GLU A 9 14.526 -8.613 -17.711 1.00 0.00 H new ATOM 101 N PRO A 10 12.778 -10.538 -14.380 1.00 0.00 N ATOM 102 CA PRO A 10 12.627 -10.372 -12.935 1.00 0.00 C ATOM 103 C PRO A 10 13.480 -9.181 -12.457 1.00 0.00 C ATOM 104 O PRO A 10 14.131 -8.515 -13.273 1.00 0.00 O ATOM 105 CB PRO A 10 13.147 -11.692 -12.361 1.00 0.00 C ATOM 106 CG PRO A 10 14.294 -12.057 -13.301 1.00 0.00 C ATOM 107 CD PRO A 10 13.841 -11.500 -14.652 1.00 0.00 C ATOM 0 HA PRO A 10 11.603 -10.163 -12.624 1.00 0.00 H new ATOM 0 HB2 PRO A 10 13.491 -11.576 -11.333 1.00 0.00 H new ATOM 0 HB3 PRO A 10 12.373 -12.460 -12.353 1.00 0.00 H new ATOM 0 HG2 PRO A 10 15.235 -11.611 -12.978 1.00 0.00 H new ATOM 0 HG3 PRO A 10 14.450 -13.135 -13.343 1.00 0.00 H new ATOM 0 HD2 PRO A 10 14.672 -11.021 -15.170 1.00 0.00 H new ATOM 0 HD3 PRO A 10 13.481 -12.300 -15.298 1.00 0.00 H new ATOM 115 N ARG A 11 13.501 -8.895 -11.148 1.00 0.00 N ATOM 116 CA ARG A 11 14.297 -7.807 -10.575 1.00 0.00 C ATOM 117 C ARG A 11 14.772 -8.156 -9.170 1.00 0.00 C ATOM 118 O ARG A 11 13.956 -8.187 -8.243 1.00 0.00 O ATOM 119 CB ARG A 11 13.541 -6.465 -10.526 1.00 0.00 C ATOM 120 CG ARG A 11 13.454 -5.761 -11.883 1.00 0.00 C ATOM 121 CD ARG A 11 13.100 -4.282 -11.682 1.00 0.00 C ATOM 122 NE ARG A 11 12.829 -3.600 -12.954 1.00 0.00 N ATOM 123 CZ ARG A 11 13.725 -3.261 -13.889 1.00 0.00 C ATOM 124 NH1 ARG A 11 15.028 -3.421 -13.712 1.00 0.00 N ATOM 125 NH2 ARG A 11 13.296 -2.687 -15.005 1.00 0.00 N ATOM 0 H ARG A 11 12.963 -9.416 -10.456 1.00 0.00 H new ATOM 0 HA ARG A 11 15.152 -7.687 -11.241 1.00 0.00 H new ATOM 0 HB2 ARG A 11 12.532 -6.639 -10.151 1.00 0.00 H new ATOM 0 HB3 ARG A 11 14.036 -5.804 -9.814 1.00 0.00 H new ATOM 0 HG2 ARG A 11 14.405 -5.848 -12.409 1.00 0.00 H new ATOM 0 HG3 ARG A 11 12.700 -6.243 -12.505 1.00 0.00 H new ATOM 0 HD2 ARG A 11 12.226 -4.204 -11.036 1.00 0.00 H new ATOM 0 HD3 ARG A 11 13.921 -3.780 -11.170 1.00 0.00 H new ATOM 0 HE ARG A 11 11.856 -3.359 -13.145 1.00 0.00 H new ATOM 0 HH11 ARG A 11 15.380 -3.815 -12.839 1.00 0.00 H new ATOM 0 HH12 ARG A 11 15.680 -3.150 -14.449 1.00 0.00 H new ATOM 0 HH21 ARG A 11 12.300 -2.512 -15.138 1.00 0.00 H new ATOM 0 HH22 ARG A 11 13.962 -2.421 -15.730 1.00 0.00 H new ATOM 139 N SER A 12 16.071 -8.383 -9.023 1.00 0.00 N ATOM 140 CA SER A 12 16.757 -8.687 -7.777 1.00 0.00 C ATOM 141 C SER A 12 17.815 -7.583 -7.602 1.00 0.00 C ATOM 142 O SER A 12 18.245 -6.968 -8.584 1.00 0.00 O ATOM 143 CB SER A 12 17.350 -10.101 -7.832 1.00 0.00 C ATOM 144 OG SER A 12 16.323 -11.064 -7.998 1.00 0.00 O ATOM 0 H SER A 12 16.710 -8.358 -9.818 1.00 0.00 H new ATOM 0 HA SER A 12 16.090 -8.692 -6.915 1.00 0.00 H new ATOM 0 HB2 SER A 12 18.060 -10.172 -8.656 1.00 0.00 H new ATOM 0 HB3 SER A 12 17.904 -10.305 -6.916 1.00 0.00 H new ATOM 0 HG SER A 12 16.718 -11.960 -8.033 1.00 0.00 H new ATOM 150 N LEU A 13 18.261 -7.320 -6.373 1.00 0.00 N ATOM 151 CA LEU A 13 19.251 -6.283 -6.054 1.00 0.00 C ATOM 152 C LEU A 13 20.327 -6.804 -5.095 1.00 0.00 C ATOM 153 O LEU A 13 20.939 -6.012 -4.376 1.00 0.00 O ATOM 154 CB LEU A 13 18.541 -5.018 -5.515 1.00 0.00 C ATOM 155 CG LEU A 13 17.748 -4.220 -6.572 1.00 0.00 C ATOM 156 CD1 LEU A 13 16.984 -3.087 -5.881 1.00 0.00 C ATOM 157 CD2 LEU A 13 18.653 -3.603 -7.650 1.00 0.00 C ATOM 0 H LEU A 13 17.939 -7.832 -5.552 1.00 0.00 H new ATOM 0 HA LEU A 13 19.773 -6.006 -6.970 1.00 0.00 H new ATOM 0 HB2 LEU A 13 17.860 -5.313 -4.717 1.00 0.00 H new ATOM 0 HB3 LEU A 13 19.288 -4.361 -5.070 1.00 0.00 H new ATOM 0 HG LEU A 13 17.070 -4.921 -7.060 1.00 0.00 H new ATOM 0 HD11 LEU A 13 16.422 -2.521 -6.624 1.00 0.00 H new ATOM 0 HD12 LEU A 13 16.295 -3.507 -5.148 1.00 0.00 H new ATOM 0 HD13 LEU A 13 17.690 -2.426 -5.378 1.00 0.00 H new ATOM 0 HD21 LEU A 13 18.043 -3.054 -8.367 1.00 0.00 H new ATOM 0 HD22 LEU A 13 19.364 -2.922 -7.182 1.00 0.00 H new ATOM 0 HD23 LEU A 13 19.195 -4.395 -8.167 1.00 0.00 H new ATOM 169 N ILE A 14 20.557 -8.126 -5.095 1.00 0.00 N ATOM 170 CA ILE A 14 21.534 -8.854 -4.280 1.00 0.00 C ATOM 171 C ILE A 14 21.426 -8.371 -2.826 1.00 0.00 C ATOM 172 O ILE A 14 22.251 -7.597 -2.344 1.00 0.00 O ATOM 173 CB ILE A 14 22.960 -8.766 -4.899 1.00 0.00 C ATOM 174 CG1 ILE A 14 22.991 -9.241 -6.374 1.00 0.00 C ATOM 175 CG2 ILE A 14 23.941 -9.633 -4.087 1.00 0.00 C ATOM 176 CD1 ILE A 14 24.272 -8.870 -7.132 1.00 0.00 C ATOM 0 H ILE A 14 20.031 -8.752 -5.704 1.00 0.00 H new ATOM 0 HA ILE A 14 21.314 -9.921 -4.272 1.00 0.00 H new ATOM 0 HB ILE A 14 23.254 -7.717 -4.868 1.00 0.00 H new ATOM 0 HG12 ILE A 14 22.871 -10.324 -6.397 1.00 0.00 H new ATOM 0 HG13 ILE A 14 22.136 -8.814 -6.899 1.00 0.00 H new ATOM 0 HG21 ILE A 14 24.936 -9.566 -4.527 1.00 0.00 H new ATOM 0 HG22 ILE A 14 23.975 -9.277 -3.057 1.00 0.00 H new ATOM 0 HG23 ILE A 14 23.607 -10.671 -4.102 1.00 0.00 H new ATOM 0 HD11 ILE A 14 24.210 -9.240 -8.155 1.00 0.00 H new ATOM 0 HD12 ILE A 14 24.386 -7.786 -7.145 1.00 0.00 H new ATOM 0 HD13 ILE A 14 25.132 -9.320 -6.635 1.00 0.00 H new ATOM 188 N THR A 15 20.378 -8.799 -2.128 1.00 0.00 N ATOM 189 CA THR A 15 20.104 -8.436 -0.745 1.00 0.00 C ATOM 190 C THR A 15 19.181 -9.497 -0.136 1.00 0.00 C ATOM 191 O THR A 15 18.476 -10.192 -0.877 1.00 0.00 O ATOM 192 CB THR A 15 19.507 -7.012 -0.760 1.00 0.00 C ATOM 193 OG1 THR A 15 19.287 -6.511 0.540 1.00 0.00 O ATOM 194 CG2 THR A 15 18.202 -6.889 -1.565 1.00 0.00 C ATOM 0 H THR A 15 19.677 -9.426 -2.522 1.00 0.00 H new ATOM 0 HA THR A 15 20.996 -8.414 -0.119 1.00 0.00 H new ATOM 0 HB THR A 15 20.267 -6.413 -1.262 1.00 0.00 H new ATOM 0 HG1 THR A 15 18.911 -5.608 0.483 1.00 0.00 H new ATOM 0 HG21 THR A 15 17.847 -5.859 -1.527 1.00 0.00 H new ATOM 0 HG22 THR A 15 18.386 -7.171 -2.602 1.00 0.00 H new ATOM 0 HG23 THR A 15 17.447 -7.549 -1.138 1.00 0.00 H new ATOM 202 N SER A 16 19.205 -9.661 1.186 1.00 0.00 N ATOM 203 CA SER A 16 18.365 -10.621 1.886 1.00 0.00 C ATOM 204 C SER A 16 17.048 -9.947 2.260 1.00 0.00 C ATOM 205 O SER A 16 17.006 -8.767 2.622 1.00 0.00 O ATOM 206 CB SER A 16 19.077 -11.165 3.122 1.00 0.00 C ATOM 207 OG SER A 16 20.297 -11.765 2.734 1.00 0.00 O ATOM 0 H SER A 16 19.815 -9.125 1.803 1.00 0.00 H new ATOM 0 HA SER A 16 18.159 -11.469 1.233 1.00 0.00 H new ATOM 0 HB2 SER A 16 19.265 -10.359 3.832 1.00 0.00 H new ATOM 0 HB3 SER A 16 18.445 -11.895 3.628 1.00 0.00 H new ATOM 0 HG SER A 16 20.757 -12.113 3.526 1.00 0.00 H new ATOM 213 N ASP A 17 15.972 -10.712 2.161 1.00 0.00 N ATOM 214 CA ASP A 17 14.606 -10.309 2.447 1.00 0.00 C ATOM 215 C ASP A 17 14.367 -10.201 3.958 1.00 0.00 C ATOM 216 O ASP A 17 15.173 -10.707 4.745 1.00 0.00 O ATOM 217 CB ASP A 17 13.697 -11.379 1.842 1.00 0.00 C ATOM 218 CG ASP A 17 12.303 -10.826 1.645 1.00 0.00 C ATOM 219 OD1 ASP A 17 12.087 -10.191 0.590 1.00 0.00 O ATOM 220 OD2 ASP A 17 11.453 -11.059 2.531 1.00 0.00 O ATOM 0 H ASP A 17 16.033 -11.685 1.862 1.00 0.00 H new ATOM 0 HA ASP A 17 14.400 -9.327 2.022 1.00 0.00 H new ATOM 0 HB2 ASP A 17 14.102 -11.714 0.887 1.00 0.00 H new ATOM 0 HB3 ASP A 17 13.662 -12.250 2.496 1.00 0.00 H new ATOM 225 N LYS A 18 13.274 -9.568 4.400 1.00 0.00 N ATOM 226 CA LYS A 18 12.961 -9.435 5.830 1.00 0.00 C ATOM 227 C LYS A 18 11.863 -10.394 6.276 1.00 0.00 C ATOM 228 O LYS A 18 11.625 -10.499 7.483 1.00 0.00 O ATOM 229 CB LYS A 18 12.624 -7.978 6.193 1.00 0.00 C ATOM 230 CG LYS A 18 13.811 -7.009 6.058 1.00 0.00 C ATOM 231 CD LYS A 18 15.116 -7.454 6.744 1.00 0.00 C ATOM 232 CE LYS A 18 14.982 -7.852 8.223 1.00 0.00 C ATOM 233 NZ LYS A 18 14.493 -6.753 9.079 1.00 0.00 N ATOM 0 H LYS A 18 12.586 -9.136 3.783 1.00 0.00 H new ATOM 0 HA LYS A 18 13.859 -9.716 6.380 1.00 0.00 H new ATOM 0 HB2 LYS A 18 11.812 -7.633 5.553 1.00 0.00 H new ATOM 0 HB3 LYS A 18 12.257 -7.946 7.219 1.00 0.00 H new ATOM 0 HG2 LYS A 18 14.013 -6.856 4.998 1.00 0.00 H new ATOM 0 HG3 LYS A 18 13.517 -6.043 6.469 1.00 0.00 H new ATOM 0 HD2 LYS A 18 15.525 -8.301 6.193 1.00 0.00 H new ATOM 0 HD3 LYS A 18 15.841 -6.644 6.668 1.00 0.00 H new ATOM 0 HE2 LYS A 18 14.300 -8.698 8.304 1.00 0.00 H new ATOM 0 HE3 LYS A 18 15.951 -8.187 8.592 1.00 0.00 H new ATOM 0 HZ1 LYS A 18 14.424 -7.083 10.063 1.00 0.00 H new ATOM 0 HZ2 LYS A 18 15.155 -5.952 9.028 1.00 0.00 H new ATOM 0 HZ3 LYS A 18 13.555 -6.448 8.750 1.00 0.00 H new ATOM 247 N GLY A 19 11.225 -11.107 5.352 1.00 0.00 N ATOM 248 CA GLY A 19 10.169 -12.073 5.591 1.00 0.00 C ATOM 249 C GLY A 19 8.836 -11.572 5.051 1.00 0.00 C ATOM 250 O GLY A 19 8.074 -12.359 4.492 1.00 0.00 O ATOM 0 H GLY A 19 11.448 -11.017 4.361 1.00 0.00 H new ATOM 0 HA2 GLY A 19 10.424 -13.020 5.116 1.00 0.00 H new ATOM 0 HA3 GLY A 19 10.083 -12.265 6.660 1.00 0.00 H new ATOM 254 N PHE A 20 8.549 -10.289 5.256 1.00 0.00 N ATOM 255 CA PHE A 20 7.369 -9.542 4.837 1.00 0.00 C ATOM 256 C PHE A 20 7.895 -8.298 4.120 1.00 0.00 C ATOM 257 O PHE A 20 9.078 -7.962 4.236 1.00 0.00 O ATOM 258 CB PHE A 20 6.528 -9.094 6.049 1.00 0.00 C ATOM 259 CG PHE A 20 5.490 -10.034 6.638 1.00 0.00 C ATOM 260 CD1 PHE A 20 5.341 -11.378 6.239 1.00 0.00 C ATOM 261 CD2 PHE A 20 4.615 -9.508 7.606 1.00 0.00 C ATOM 262 CE1 PHE A 20 4.336 -12.179 6.809 1.00 0.00 C ATOM 263 CE2 PHE A 20 3.615 -10.310 8.179 1.00 0.00 C ATOM 264 CZ PHE A 20 3.471 -11.646 7.778 1.00 0.00 C ATOM 0 H PHE A 20 9.198 -9.692 5.768 1.00 0.00 H new ATOM 0 HA PHE A 20 6.733 -10.161 4.204 1.00 0.00 H new ATOM 0 HB2 PHE A 20 7.222 -8.835 6.848 1.00 0.00 H new ATOM 0 HB3 PHE A 20 6.012 -8.177 5.765 1.00 0.00 H new ATOM 0 HD1 PHE A 20 6.002 -11.794 5.493 1.00 0.00 H new ATOM 0 HD2 PHE A 20 4.713 -8.477 7.911 1.00 0.00 H new ATOM 0 HE1 PHE A 20 4.229 -13.208 6.500 1.00 0.00 H new ATOM 0 HE2 PHE A 20 2.956 -9.898 8.929 1.00 0.00 H new ATOM 0 HZ PHE A 20 2.698 -12.262 8.213 1.00 0.00 H new ATOM 274 N VAL A 21 7.004 -7.595 3.433 1.00 0.00 N ATOM 275 CA VAL A 21 7.301 -6.395 2.678 1.00 0.00 C ATOM 276 C VAL A 21 6.267 -5.321 3.032 1.00 0.00 C ATOM 277 O VAL A 21 5.172 -5.623 3.518 1.00 0.00 O ATOM 278 CB VAL A 21 7.374 -6.784 1.187 1.00 0.00 C ATOM 279 CG1 VAL A 21 6.093 -7.441 0.650 1.00 0.00 C ATOM 280 CG2 VAL A 21 7.725 -5.596 0.301 1.00 0.00 C ATOM 0 H VAL A 21 6.020 -7.859 3.388 1.00 0.00 H new ATOM 0 HA VAL A 21 8.267 -5.955 2.927 1.00 0.00 H new ATOM 0 HB VAL A 21 8.172 -7.525 1.144 1.00 0.00 H new ATOM 0 HG11 VAL A 21 6.224 -7.685 -0.404 1.00 0.00 H new ATOM 0 HG12 VAL A 21 5.889 -8.353 1.211 1.00 0.00 H new ATOM 0 HG13 VAL A 21 5.256 -6.752 0.762 1.00 0.00 H new ATOM 0 HG21 VAL A 21 7.765 -5.918 -0.740 1.00 0.00 H new ATOM 0 HG22 VAL A 21 6.966 -4.822 0.413 1.00 0.00 H new ATOM 0 HG23 VAL A 21 8.696 -5.197 0.595 1.00 0.00 H new ATOM 290 N THR A 22 6.658 -4.057 2.892 1.00 0.00 N ATOM 291 CA THR A 22 5.797 -2.927 3.172 1.00 0.00 C ATOM 292 C THR A 22 5.091 -2.540 1.872 1.00 0.00 C ATOM 293 O THR A 22 5.649 -2.676 0.788 1.00 0.00 O ATOM 294 CB THR A 22 6.652 -1.792 3.750 1.00 0.00 C ATOM 295 OG1 THR A 22 7.210 -2.200 4.995 1.00 0.00 O ATOM 296 CG2 THR A 22 5.844 -0.515 3.981 1.00 0.00 C ATOM 0 H THR A 22 7.592 -3.793 2.578 1.00 0.00 H new ATOM 0 HA THR A 22 5.032 -3.163 3.911 1.00 0.00 H new ATOM 0 HB THR A 22 7.433 -1.577 3.020 1.00 0.00 H new ATOM 0 HG1 THR A 22 6.558 -2.745 5.483 1.00 0.00 H new ATOM 0 HG21 THR A 22 6.494 0.258 4.391 1.00 0.00 H new ATOM 0 HG22 THR A 22 5.426 -0.173 3.034 1.00 0.00 H new ATOM 0 HG23 THR A 22 5.035 -0.718 4.683 1.00 0.00 H new ATOM 304 N MET A 23 3.869 -2.035 1.989 1.00 0.00 N ATOM 305 CA MET A 23 3.037 -1.595 0.887 1.00 0.00 C ATOM 306 C MET A 23 2.471 -0.220 1.216 1.00 0.00 C ATOM 307 O MET A 23 2.315 0.157 2.387 1.00 0.00 O ATOM 308 CB MET A 23 1.923 -2.626 0.647 1.00 0.00 C ATOM 309 CG MET A 23 2.320 -3.699 -0.370 1.00 0.00 C ATOM 310 SD MET A 23 2.092 -3.120 -2.073 1.00 0.00 S ATOM 311 CE MET A 23 2.372 -4.640 -3.011 1.00 0.00 C ATOM 0 H MET A 23 3.416 -1.918 2.895 1.00 0.00 H new ATOM 0 HA MET A 23 3.621 -1.515 -0.030 1.00 0.00 H new ATOM 0 HB2 MET A 23 1.667 -3.104 1.592 1.00 0.00 H new ATOM 0 HB3 MET A 23 1.028 -2.112 0.296 1.00 0.00 H new ATOM 0 HG2 MET A 23 3.362 -3.979 -0.217 1.00 0.00 H new ATOM 0 HG3 MET A 23 1.722 -4.595 -0.207 1.00 0.00 H new ATOM 0 HE1 MET A 23 1.931 -4.542 -4.003 1.00 0.00 H new ATOM 0 HE2 MET A 23 3.443 -4.817 -3.106 1.00 0.00 H new ATOM 0 HE3 MET A 23 1.910 -5.479 -2.491 1.00 0.00 H new ATOM 321 N THR A 24 2.173 0.544 0.175 1.00 0.00 N ATOM 322 CA THR A 24 1.612 1.876 0.262 1.00 0.00 C ATOM 323 C THR A 24 0.506 1.969 -0.784 1.00 0.00 C ATOM 324 O THR A 24 0.535 1.270 -1.803 1.00 0.00 O ATOM 325 CB THR A 24 2.693 2.947 0.039 1.00 0.00 C ATOM 326 OG1 THR A 24 3.939 2.590 0.593 1.00 0.00 O ATOM 327 CG2 THR A 24 2.296 4.268 0.691 1.00 0.00 C ATOM 0 H THR A 24 2.322 0.238 -0.787 1.00 0.00 H new ATOM 0 HA THR A 24 1.204 2.057 1.257 1.00 0.00 H new ATOM 0 HB THR A 24 2.782 3.041 -1.043 1.00 0.00 H new ATOM 0 HG1 THR A 24 4.423 3.400 0.859 1.00 0.00 H new ATOM 0 HG21 THR A 24 3.077 5.008 0.519 1.00 0.00 H new ATOM 0 HG22 THR A 24 1.360 4.621 0.258 1.00 0.00 H new ATOM 0 HG23 THR A 24 2.167 4.120 1.763 1.00 0.00 H new ATOM 335 N LEU A 25 -0.502 2.794 -0.522 1.00 0.00 N ATOM 336 CA LEU A 25 -1.616 3.019 -1.419 1.00 0.00 C ATOM 337 C LEU A 25 -1.787 4.524 -1.392 1.00 0.00 C ATOM 338 O LEU A 25 -2.159 5.082 -0.354 1.00 0.00 O ATOM 339 CB LEU A 25 -2.879 2.252 -0.989 1.00 0.00 C ATOM 340 CG LEU A 25 -3.849 2.117 -2.179 1.00 0.00 C ATOM 341 CD1 LEU A 25 -3.435 0.970 -3.107 1.00 0.00 C ATOM 342 CD2 LEU A 25 -5.275 1.868 -1.682 1.00 0.00 C ATOM 0 H LEU A 25 -0.563 3.334 0.341 1.00 0.00 H new ATOM 0 HA LEU A 25 -1.436 2.646 -2.427 1.00 0.00 H new ATOM 0 HB2 LEU A 25 -2.605 1.264 -0.619 1.00 0.00 H new ATOM 0 HB3 LEU A 25 -3.369 2.775 -0.168 1.00 0.00 H new ATOM 0 HG LEU A 25 -3.812 3.053 -2.737 1.00 0.00 H new ATOM 0 HD11 LEU A 25 -4.139 0.901 -3.936 1.00 0.00 H new ATOM 0 HD12 LEU A 25 -2.434 1.159 -3.495 1.00 0.00 H new ATOM 0 HD13 LEU A 25 -3.437 0.033 -2.550 1.00 0.00 H new ATOM 0 HD21 LEU A 25 -5.947 1.775 -2.535 1.00 0.00 H new ATOM 0 HD22 LEU A 25 -5.301 0.948 -1.098 1.00 0.00 H new ATOM 0 HD23 LEU A 25 -5.594 2.703 -1.058 1.00 0.00 H new ATOM 354 N GLU A 26 -1.406 5.175 -2.482 1.00 0.00 N ATOM 355 CA GLU A 26 -1.482 6.614 -2.631 1.00 0.00 C ATOM 356 C GLU A 26 -2.714 6.948 -3.450 1.00 0.00 C ATOM 357 O GLU A 26 -2.853 6.506 -4.582 1.00 0.00 O ATOM 358 CB GLU A 26 -0.219 7.175 -3.298 1.00 0.00 C ATOM 359 CG GLU A 26 1.041 6.994 -2.437 1.00 0.00 C ATOM 360 CD GLU A 26 2.202 7.886 -2.900 1.00 0.00 C ATOM 361 OE1 GLU A 26 2.300 8.231 -4.101 1.00 0.00 O ATOM 362 OE2 GLU A 26 3.001 8.316 -2.036 1.00 0.00 O ATOM 0 H GLU A 26 -1.028 4.703 -3.303 1.00 0.00 H new ATOM 0 HA GLU A 26 -1.553 7.075 -1.646 1.00 0.00 H new ATOM 0 HB2 GLU A 26 -0.071 6.681 -4.258 1.00 0.00 H new ATOM 0 HB3 GLU A 26 -0.363 8.236 -3.504 1.00 0.00 H new ATOM 0 HG2 GLU A 26 0.803 7.223 -1.398 1.00 0.00 H new ATOM 0 HG3 GLU A 26 1.353 5.950 -2.470 1.00 0.00 H new ATOM 369 N SER A 27 -3.638 7.665 -2.836 1.00 0.00 N ATOM 370 CA SER A 27 -4.888 8.145 -3.405 1.00 0.00 C ATOM 371 C SER A 27 -4.573 9.335 -4.330 1.00 0.00 C ATOM 372 O SER A 27 -3.408 9.724 -4.481 1.00 0.00 O ATOM 373 CB SER A 27 -5.792 8.564 -2.220 1.00 0.00 C ATOM 374 OG SER A 27 -5.011 8.836 -1.056 1.00 0.00 O ATOM 0 H SER A 27 -3.529 7.947 -1.862 1.00 0.00 H new ATOM 0 HA SER A 27 -5.399 7.385 -3.997 1.00 0.00 H new ATOM 0 HB2 SER A 27 -6.368 9.449 -2.492 1.00 0.00 H new ATOM 0 HB3 SER A 27 -6.508 7.771 -2.005 1.00 0.00 H new ATOM 0 HG SER A 27 -5.602 9.100 -0.320 1.00 0.00 H new ATOM 380 N LEU A 28 -5.606 9.946 -4.919 1.00 0.00 N ATOM 381 CA LEU A 28 -5.443 11.108 -5.794 1.00 0.00 C ATOM 382 C LEU A 28 -6.006 12.387 -5.164 1.00 0.00 C ATOM 383 O LEU A 28 -5.908 13.470 -5.748 1.00 0.00 O ATOM 384 CB LEU A 28 -6.013 10.822 -7.196 1.00 0.00 C ATOM 385 CG LEU A 28 -4.903 10.554 -8.232 1.00 0.00 C ATOM 386 CD1 LEU A 28 -5.542 10.174 -9.571 1.00 0.00 C ATOM 387 CD2 LEU A 28 -3.994 11.774 -8.468 1.00 0.00 C ATOM 0 H LEU A 28 -6.575 9.649 -4.802 1.00 0.00 H new ATOM 0 HA LEU A 28 -4.376 11.291 -5.918 1.00 0.00 H new ATOM 0 HB2 LEU A 28 -6.678 9.960 -7.147 1.00 0.00 H new ATOM 0 HB3 LEU A 28 -6.615 11.670 -7.522 1.00 0.00 H new ATOM 0 HG LEU A 28 -4.289 9.747 -7.832 1.00 0.00 H new ATOM 0 HD11 LEU A 28 -4.760 9.984 -10.306 1.00 0.00 H new ATOM 0 HD12 LEU A 28 -6.147 9.276 -9.444 1.00 0.00 H new ATOM 0 HD13 LEU A 28 -6.175 10.991 -9.917 1.00 0.00 H new ATOM 0 HD21 LEU A 28 -3.233 11.523 -9.207 1.00 0.00 H new ATOM 0 HD22 LEU A 28 -4.593 12.609 -8.833 1.00 0.00 H new ATOM 0 HD23 LEU A 28 -3.512 12.055 -7.532 1.00 0.00 H new ATOM 399 N GLU A 29 -6.602 12.290 -3.979 1.00 0.00 N ATOM 400 CA GLU A 29 -7.181 13.374 -3.198 1.00 0.00 C ATOM 401 C GLU A 29 -7.116 12.947 -1.723 1.00 0.00 C ATOM 402 O GLU A 29 -6.549 11.893 -1.410 1.00 0.00 O ATOM 403 CB GLU A 29 -8.608 13.699 -3.675 1.00 0.00 C ATOM 404 CG GLU A 29 -9.607 12.586 -3.351 1.00 0.00 C ATOM 405 CD GLU A 29 -11.034 12.880 -3.814 1.00 0.00 C ATOM 406 OE1 GLU A 29 -11.393 14.059 -4.058 1.00 0.00 O ATOM 407 OE2 GLU A 29 -11.828 11.926 -3.927 1.00 0.00 O ATOM 0 H GLU A 29 -6.699 11.390 -3.509 1.00 0.00 H new ATOM 0 HA GLU A 29 -6.624 14.302 -3.328 1.00 0.00 H new ATOM 0 HB2 GLU A 29 -8.940 14.627 -3.209 1.00 0.00 H new ATOM 0 HB3 GLU A 29 -8.597 13.869 -4.752 1.00 0.00 H new ATOM 0 HG2 GLU A 29 -9.268 11.660 -3.816 1.00 0.00 H new ATOM 0 HG3 GLU A 29 -9.612 12.418 -2.274 1.00 0.00 H new ATOM 414 N GLU A 30 -7.643 13.754 -0.807 1.00 0.00 N ATOM 415 CA GLU A 30 -7.658 13.472 0.626 1.00 0.00 C ATOM 416 C GLU A 30 -8.681 12.366 0.979 1.00 0.00 C ATOM 417 O GLU A 30 -9.459 11.914 0.140 1.00 0.00 O ATOM 418 CB GLU A 30 -7.964 14.790 1.357 1.00 0.00 C ATOM 419 CG GLU A 30 -7.407 14.811 2.786 1.00 0.00 C ATOM 420 CD GLU A 30 -7.812 16.087 3.502 1.00 0.00 C ATOM 421 OE1 GLU A 30 -9.002 16.234 3.869 1.00 0.00 O ATOM 422 OE2 GLU A 30 -6.934 16.942 3.743 1.00 0.00 O ATOM 0 H GLU A 30 -8.082 14.643 -1.045 1.00 0.00 H new ATOM 0 HA GLU A 30 -6.688 13.089 0.943 1.00 0.00 H new ATOM 0 HB2 GLU A 30 -7.541 15.621 0.793 1.00 0.00 H new ATOM 0 HB3 GLU A 30 -9.043 14.942 1.389 1.00 0.00 H new ATOM 0 HG2 GLU A 30 -7.775 13.946 3.338 1.00 0.00 H new ATOM 0 HG3 GLU A 30 -6.320 14.733 2.759 1.00 0.00 H new ATOM 429 N ILE A 31 -8.677 11.919 2.233 1.00 0.00 N ATOM 430 CA ILE A 31 -9.547 10.900 2.813 1.00 0.00 C ATOM 431 C ILE A 31 -10.008 11.386 4.182 1.00 0.00 C ATOM 432 O ILE A 31 -9.433 12.312 4.764 1.00 0.00 O ATOM 433 CB ILE A 31 -8.820 9.535 2.960 1.00 0.00 C ATOM 434 CG1 ILE A 31 -7.430 9.707 3.623 1.00 0.00 C ATOM 435 CG2 ILE A 31 -8.787 8.825 1.601 1.00 0.00 C ATOM 436 CD1 ILE A 31 -6.596 8.438 3.813 1.00 0.00 C ATOM 0 H ILE A 31 -8.018 12.286 2.919 1.00 0.00 H new ATOM 0 HA ILE A 31 -10.397 10.746 2.148 1.00 0.00 H new ATOM 0 HB ILE A 31 -9.374 8.887 3.640 1.00 0.00 H new ATOM 0 HG12 ILE A 31 -6.851 10.408 3.022 1.00 0.00 H new ATOM 0 HG13 ILE A 31 -7.574 10.169 4.600 1.00 0.00 H new ATOM 0 HG21 ILE A 31 -8.277 7.867 1.703 1.00 0.00 H new ATOM 0 HG22 ILE A 31 -9.806 8.658 1.253 1.00 0.00 H new ATOM 0 HG23 ILE A 31 -8.254 9.445 0.880 1.00 0.00 H new ATOM 0 HD11 ILE A 31 -5.648 8.693 4.286 1.00 0.00 H new ATOM 0 HD12 ILE A 31 -7.140 7.736 4.446 1.00 0.00 H new ATOM 0 HD13 ILE A 31 -6.405 7.979 2.843 1.00 0.00 H new ATOM 448 N GLN A 32 -11.061 10.755 4.699 1.00 0.00 N ATOM 449 CA GLN A 32 -11.597 11.079 6.007 1.00 0.00 C ATOM 450 C GLN A 32 -10.660 10.454 7.047 1.00 0.00 C ATOM 451 O GLN A 32 -10.168 11.143 7.937 1.00 0.00 O ATOM 452 CB GLN A 32 -13.025 10.524 6.116 1.00 0.00 C ATOM 453 CG GLN A 32 -13.684 10.799 7.482 1.00 0.00 C ATOM 454 CD GLN A 32 -14.228 9.534 8.132 1.00 0.00 C ATOM 455 OE1 GLN A 32 -13.861 9.169 9.250 1.00 0.00 O ATOM 456 NE2 GLN A 32 -15.133 8.851 7.459 1.00 0.00 N ATOM 0 H GLN A 32 -11.561 10.007 4.219 1.00 0.00 H new ATOM 0 HA GLN A 32 -11.652 12.155 6.172 1.00 0.00 H new ATOM 0 HB2 GLN A 32 -13.639 10.963 5.329 1.00 0.00 H new ATOM 0 HB3 GLN A 32 -13.004 9.448 5.941 1.00 0.00 H new ATOM 0 HG2 GLN A 32 -12.954 11.261 8.147 1.00 0.00 H new ATOM 0 HG3 GLN A 32 -14.496 11.515 7.353 1.00 0.00 H new ATOM 0 HE21 GLN A 32 -15.426 9.166 6.534 1.00 0.00 H new ATOM 0 HE22 GLN A 32 -15.540 8.007 7.863 1.00 0.00 H new ATOM 465 N ASP A 33 -10.449 9.142 6.943 1.00 0.00 N ATOM 466 CA ASP A 33 -9.613 8.311 7.804 1.00 0.00 C ATOM 467 C ASP A 33 -9.351 7.010 7.031 1.00 0.00 C ATOM 468 O ASP A 33 -9.716 6.926 5.852 1.00 0.00 O ATOM 469 CB ASP A 33 -10.372 8.031 9.109 1.00 0.00 C ATOM 470 CG ASP A 33 -9.467 7.771 10.314 1.00 0.00 C ATOM 471 OD1 ASP A 33 -8.442 7.068 10.183 1.00 0.00 O ATOM 472 OD2 ASP A 33 -9.853 8.267 11.401 1.00 0.00 O ATOM 0 H ASP A 33 -10.889 8.595 6.203 1.00 0.00 H new ATOM 0 HA ASP A 33 -8.670 8.795 8.060 1.00 0.00 H new ATOM 0 HB2 ASP A 33 -11.018 8.880 9.330 1.00 0.00 H new ATOM 0 HB3 ASP A 33 -11.020 7.167 8.962 1.00 0.00 H new ATOM 477 N VAL A 34 -8.746 5.987 7.640 1.00 0.00 N ATOM 478 CA VAL A 34 -8.467 4.698 6.995 1.00 0.00 C ATOM 479 C VAL A 34 -9.748 3.981 6.530 1.00 0.00 C ATOM 480 O VAL A 34 -9.663 3.048 5.737 1.00 0.00 O ATOM 481 CB VAL A 34 -7.625 3.777 7.901 1.00 0.00 C ATOM 482 CG1 VAL A 34 -6.203 4.323 8.102 1.00 0.00 C ATOM 483 CG2 VAL A 34 -8.272 3.507 9.267 1.00 0.00 C ATOM 0 H VAL A 34 -8.431 6.030 8.609 1.00 0.00 H new ATOM 0 HA VAL A 34 -7.882 4.925 6.104 1.00 0.00 H new ATOM 0 HB VAL A 34 -7.574 2.826 7.371 1.00 0.00 H new ATOM 0 HG11 VAL A 34 -5.641 3.646 8.746 1.00 0.00 H new ATOM 0 HG12 VAL A 34 -5.704 4.403 7.136 1.00 0.00 H new ATOM 0 HG13 VAL A 34 -6.254 5.308 8.567 1.00 0.00 H new ATOM 0 HG21 VAL A 34 -7.626 2.852 9.852 1.00 0.00 H new ATOM 0 HG22 VAL A 34 -8.410 4.449 9.797 1.00 0.00 H new ATOM 0 HG23 VAL A 34 -9.240 3.027 9.123 1.00 0.00 H new ATOM 493 N SER A 35 -10.934 4.386 6.999 1.00 0.00 N ATOM 494 CA SER A 35 -12.207 3.787 6.620 1.00 0.00 C ATOM 495 C SER A 35 -12.397 3.804 5.105 1.00 0.00 C ATOM 496 O SER A 35 -12.888 2.821 4.548 1.00 0.00 O ATOM 497 CB SER A 35 -13.359 4.521 7.312 1.00 0.00 C ATOM 498 OG SER A 35 -13.096 5.906 7.488 1.00 0.00 O ATOM 0 H SER A 35 -11.031 5.153 7.664 1.00 0.00 H new ATOM 0 HA SER A 35 -12.203 2.746 6.943 1.00 0.00 H new ATOM 0 HB2 SER A 35 -14.268 4.399 6.723 1.00 0.00 H new ATOM 0 HB3 SER A 35 -13.545 4.064 8.284 1.00 0.00 H new ATOM 0 HG SER A 35 -13.860 6.330 7.932 1.00 0.00 H new ATOM 504 N CYS A 36 -12.009 4.904 4.450 1.00 0.00 N ATOM 505 CA CYS A 36 -12.107 5.079 3.010 1.00 0.00 C ATOM 506 C CYS A 36 -11.328 3.963 2.306 1.00 0.00 C ATOM 507 O CYS A 36 -11.894 3.220 1.501 1.00 0.00 O ATOM 508 CB CYS A 36 -11.580 6.472 2.646 1.00 0.00 C ATOM 509 SG CYS A 36 -12.702 7.762 3.262 1.00 0.00 S ATOM 0 H CYS A 36 -11.609 5.713 4.925 1.00 0.00 H new ATOM 0 HA CYS A 36 -13.143 5.012 2.679 1.00 0.00 H new ATOM 0 HB2 CYS A 36 -10.586 6.613 3.071 1.00 0.00 H new ATOM 0 HB3 CYS A 36 -11.479 6.557 1.564 1.00 0.00 H new ATOM 0 HG CYS A 36 -12.491 8.867 2.611 1.00 0.00 H new ATOM 515 N ALA A 37 -10.044 3.810 2.639 1.00 0.00 N ATOM 516 CA ALA A 37 -9.186 2.788 2.068 1.00 0.00 C ATOM 517 C ALA A 37 -9.734 1.405 2.399 1.00 0.00 C ATOM 518 O ALA A 37 -9.754 0.558 1.514 1.00 0.00 O ATOM 519 CB ALA A 37 -7.753 2.930 2.573 1.00 0.00 C ATOM 0 H ALA A 37 -9.572 4.403 3.322 1.00 0.00 H new ATOM 0 HA ALA A 37 -9.173 2.915 0.985 1.00 0.00 H new ATOM 0 HB1 ALA A 37 -7.132 2.152 2.129 1.00 0.00 H new ATOM 0 HB2 ALA A 37 -7.364 3.909 2.293 1.00 0.00 H new ATOM 0 HB3 ALA A 37 -7.738 2.831 3.658 1.00 0.00 H new ATOM 525 N TRP A 38 -10.224 1.159 3.621 1.00 0.00 N ATOM 526 CA TRP A 38 -10.783 -0.143 4.000 1.00 0.00 C ATOM 527 C TRP A 38 -11.968 -0.542 3.102 1.00 0.00 C ATOM 528 O TRP A 38 -12.362 -1.714 3.084 1.00 0.00 O ATOM 529 CB TRP A 38 -11.156 -0.182 5.491 1.00 0.00 C ATOM 530 CG TRP A 38 -10.067 -0.617 6.429 1.00 0.00 C ATOM 531 CD1 TRP A 38 -9.596 0.041 7.513 1.00 0.00 C ATOM 532 CD2 TRP A 38 -9.314 -1.862 6.383 1.00 0.00 C ATOM 533 NE1 TRP A 38 -8.613 -0.717 8.129 1.00 0.00 N ATOM 534 CE2 TRP A 38 -8.362 -1.886 7.440 1.00 0.00 C ATOM 535 CE3 TRP A 38 -9.355 -2.978 5.531 1.00 0.00 C ATOM 536 CZ2 TRP A 38 -7.460 -2.955 7.604 1.00 0.00 C ATOM 537 CZ3 TRP A 38 -8.439 -4.035 5.659 1.00 0.00 C ATOM 538 CH2 TRP A 38 -7.497 -4.033 6.697 1.00 0.00 C ATOM 0 H TRP A 38 -10.244 1.852 4.369 1.00 0.00 H new ATOM 0 HA TRP A 38 -10.003 -0.888 3.842 1.00 0.00 H new ATOM 0 HB2 TRP A 38 -11.489 0.812 5.788 1.00 0.00 H new ATOM 0 HB3 TRP A 38 -12.006 -0.853 5.616 1.00 0.00 H new ATOM 0 HD1 TRP A 38 -9.935 1.010 7.848 1.00 0.00 H new ATOM 0 HE1 TRP A 38 -8.134 -0.444 8.987 1.00 0.00 H new ATOM 0 HE3 TRP A 38 -10.109 -3.024 4.759 1.00 0.00 H new ATOM 0 HZ2 TRP A 38 -6.748 -2.949 8.416 1.00 0.00 H new ATOM 0 HZ3 TRP A 38 -8.461 -4.853 4.954 1.00 0.00 H new ATOM 0 HH2 TRP A 38 -6.803 -4.854 6.801 1.00 0.00 H new ATOM 549 N LYS A 39 -12.590 0.406 2.393 1.00 0.00 N ATOM 550 CA LYS A 39 -13.680 0.127 1.468 1.00 0.00 C ATOM 551 C LYS A 39 -13.055 -0.060 0.089 1.00 0.00 C ATOM 552 O LYS A 39 -13.190 -1.133 -0.488 1.00 0.00 O ATOM 553 CB LYS A 39 -14.749 1.235 1.419 1.00 0.00 C ATOM 554 CG LYS A 39 -15.538 1.379 2.724 1.00 0.00 C ATOM 555 CD LYS A 39 -16.940 1.965 2.536 1.00 0.00 C ATOM 556 CE LYS A 39 -17.558 2.205 3.918 1.00 0.00 C ATOM 557 NZ LYS A 39 -19.033 2.266 3.870 1.00 0.00 N ATOM 0 H LYS A 39 -12.345 1.395 2.449 1.00 0.00 H new ATOM 0 HA LYS A 39 -14.205 -0.765 1.808 1.00 0.00 H new ATOM 0 HB2 LYS A 39 -14.267 2.185 1.188 1.00 0.00 H new ATOM 0 HB3 LYS A 39 -15.443 1.024 0.605 1.00 0.00 H new ATOM 0 HG2 LYS A 39 -15.624 0.400 3.196 1.00 0.00 H new ATOM 0 HG3 LYS A 39 -14.977 2.015 3.409 1.00 0.00 H new ATOM 0 HD2 LYS A 39 -16.888 2.899 1.977 1.00 0.00 H new ATOM 0 HD3 LYS A 39 -17.561 1.282 1.957 1.00 0.00 H new ATOM 0 HE2 LYS A 39 -17.251 1.407 4.594 1.00 0.00 H new ATOM 0 HE3 LYS A 39 -17.171 3.137 4.329 1.00 0.00 H new ATOM 0 HZ1 LYS A 39 -19.405 2.430 4.827 1.00 0.00 H new ATOM 0 HZ2 LYS A 39 -19.328 3.044 3.246 1.00 0.00 H new ATOM 0 HZ3 LYS A 39 -19.406 1.367 3.503 1.00 0.00 H new ATOM 571 N GLU A 40 -12.333 0.941 -0.432 1.00 0.00 N ATOM 572 CA GLU A 40 -11.727 0.871 -1.766 1.00 0.00 C ATOM 573 C GLU A 40 -10.792 -0.328 -1.972 1.00 0.00 C ATOM 574 O GLU A 40 -10.808 -0.943 -3.040 1.00 0.00 O ATOM 575 CB GLU A 40 -11.060 2.203 -2.148 1.00 0.00 C ATOM 576 CG GLU A 40 -10.620 2.255 -3.626 1.00 0.00 C ATOM 577 CD GLU A 40 -11.781 2.337 -4.634 1.00 0.00 C ATOM 578 OE1 GLU A 40 -12.689 1.475 -4.609 1.00 0.00 O ATOM 579 OE2 GLU A 40 -11.846 3.291 -5.441 1.00 0.00 O ATOM 0 H GLU A 40 -12.154 1.818 0.058 1.00 0.00 H new ATOM 0 HA GLU A 40 -12.553 0.697 -2.456 1.00 0.00 H new ATOM 0 HB2 GLU A 40 -11.755 3.020 -1.953 1.00 0.00 H new ATOM 0 HB3 GLU A 40 -10.191 2.364 -1.510 1.00 0.00 H new ATOM 0 HG2 GLU A 40 -9.970 3.118 -3.768 1.00 0.00 H new ATOM 0 HG3 GLU A 40 -10.026 1.368 -3.847 1.00 0.00 H new ATOM 586 N LEU A 41 -9.974 -0.683 -0.979 1.00 0.00 N ATOM 587 CA LEU A 41 -9.066 -1.829 -1.070 1.00 0.00 C ATOM 588 C LEU A 41 -9.932 -3.057 -1.309 1.00 0.00 C ATOM 589 O LEU A 41 -9.735 -3.780 -2.283 1.00 0.00 O ATOM 590 CB LEU A 41 -8.222 -1.977 0.202 1.00 0.00 C ATOM 591 CG LEU A 41 -6.964 -1.098 0.207 1.00 0.00 C ATOM 592 CD1 LEU A 41 -6.521 -0.814 1.644 1.00 0.00 C ATOM 593 CD2 LEU A 41 -5.811 -1.781 -0.542 1.00 0.00 C ATOM 0 H LEU A 41 -9.922 -0.185 -0.090 1.00 0.00 H new ATOM 0 HA LEU A 41 -8.356 -1.694 -1.886 1.00 0.00 H new ATOM 0 HB2 LEU A 41 -8.835 -1.725 1.067 1.00 0.00 H new ATOM 0 HB3 LEU A 41 -7.927 -3.020 0.314 1.00 0.00 H new ATOM 0 HG LEU A 41 -7.212 -0.163 -0.296 1.00 0.00 H new ATOM 0 HD11 LEU A 41 -5.628 -0.190 1.633 1.00 0.00 H new ATOM 0 HD12 LEU A 41 -7.319 -0.296 2.175 1.00 0.00 H new ATOM 0 HD13 LEU A 41 -6.300 -1.754 2.149 1.00 0.00 H new ATOM 0 HD21 LEU A 41 -4.932 -1.136 -0.523 1.00 0.00 H new ATOM 0 HD22 LEU A 41 -5.575 -2.730 -0.060 1.00 0.00 H new ATOM 0 HD23 LEU A 41 -6.106 -1.962 -1.576 1.00 0.00 H new ATOM 605 N ASN A 42 -10.951 -3.242 -0.468 1.00 0.00 N ATOM 606 CA ASN A 42 -11.896 -4.353 -0.558 1.00 0.00 C ATOM 607 C ASN A 42 -12.580 -4.409 -1.925 1.00 0.00 C ATOM 608 O ASN A 42 -13.029 -5.483 -2.316 1.00 0.00 O ATOM 609 CB ASN A 42 -12.962 -4.270 0.554 1.00 0.00 C ATOM 610 CG ASN A 42 -12.592 -5.131 1.747 1.00 0.00 C ATOM 611 OD1 ASN A 42 -12.570 -6.352 1.647 1.00 0.00 O ATOM 612 ND2 ASN A 42 -12.283 -4.542 2.892 1.00 0.00 N ATOM 0 H ASN A 42 -11.145 -2.611 0.309 1.00 0.00 H new ATOM 0 HA ASN A 42 -11.318 -5.268 -0.427 1.00 0.00 H new ATOM 0 HB2 ASN A 42 -13.076 -3.234 0.873 1.00 0.00 H new ATOM 0 HB3 ASN A 42 -13.926 -4.589 0.159 1.00 0.00 H new ATOM 0 HD21 ASN A 42 -12.023 -5.106 3.702 1.00 0.00 H new ATOM 0 HD22 ASN A 42 -12.305 -3.525 2.964 1.00 0.00 H new ATOM 619 N ARG A 43 -12.686 -3.304 -2.679 1.00 0.00 N ATOM 620 CA ARG A 43 -13.326 -3.332 -3.990 1.00 0.00 C ATOM 621 C ARG A 43 -12.528 -4.110 -5.017 1.00 0.00 C ATOM 622 O ARG A 43 -13.139 -4.717 -5.896 1.00 0.00 O ATOM 623 CB ARG A 43 -13.628 -1.916 -4.510 1.00 0.00 C ATOM 624 CG ARG A 43 -14.538 -1.066 -3.626 1.00 0.00 C ATOM 625 CD ARG A 43 -15.908 -1.677 -3.378 1.00 0.00 C ATOM 626 NE ARG A 43 -16.699 -1.643 -4.611 1.00 0.00 N ATOM 627 CZ ARG A 43 -17.241 -2.654 -5.286 1.00 0.00 C ATOM 628 NH1 ARG A 43 -17.275 -3.896 -4.817 1.00 0.00 N ATOM 629 NH2 ARG A 43 -17.761 -2.386 -6.473 1.00 0.00 N ATOM 0 H ARG A 43 -12.337 -2.387 -2.399 1.00 0.00 H new ATOM 0 HA ARG A 43 -14.271 -3.856 -3.846 1.00 0.00 H new ATOM 0 HB2 ARG A 43 -12.684 -1.388 -4.641 1.00 0.00 H new ATOM 0 HB3 ARG A 43 -14.086 -2.001 -5.496 1.00 0.00 H new ATOM 0 HG2 ARG A 43 -14.046 -0.902 -2.667 1.00 0.00 H new ATOM 0 HG3 ARG A 43 -14.667 -0.088 -4.089 1.00 0.00 H new ATOM 0 HD2 ARG A 43 -15.800 -2.705 -3.033 1.00 0.00 H new ATOM 0 HD3 ARG A 43 -16.423 -1.128 -2.590 1.00 0.00 H new ATOM 0 HE ARG A 43 -16.856 -0.716 -5.007 1.00 0.00 H new ATOM 0 HH11 ARG A 43 -16.875 -4.107 -3.903 1.00 0.00 H new ATOM 0 HH12 ARG A 43 -17.701 -4.639 -5.371 1.00 0.00 H new ATOM 0 HH21 ARG A 43 -17.736 -1.434 -6.837 1.00 0.00 H new ATOM 0 HH22 ARG A 43 -18.186 -3.132 -7.024 1.00 0.00 H new ATOM 643 N LYS A 44 -11.201 -4.122 -4.921 1.00 0.00 N ATOM 644 CA LYS A 44 -10.357 -4.848 -5.873 1.00 0.00 C ATOM 645 C LYS A 44 -9.717 -6.072 -5.248 1.00 0.00 C ATOM 646 O LYS A 44 -9.336 -6.989 -5.970 1.00 0.00 O ATOM 647 CB LYS A 44 -9.193 -3.954 -6.336 1.00 0.00 C ATOM 648 CG LYS A 44 -9.584 -2.559 -6.826 1.00 0.00 C ATOM 649 CD LYS A 44 -10.263 -2.583 -8.193 1.00 0.00 C ATOM 650 CE LYS A 44 -10.789 -1.180 -8.486 1.00 0.00 C ATOM 651 NZ LYS A 44 -10.900 -0.941 -9.929 1.00 0.00 N ATOM 0 H LYS A 44 -10.682 -3.635 -4.190 1.00 0.00 H new ATOM 0 HA LYS A 44 -11.009 -5.139 -6.697 1.00 0.00 H new ATOM 0 HB2 LYS A 44 -8.491 -3.845 -5.509 1.00 0.00 H new ATOM 0 HB3 LYS A 44 -8.663 -4.466 -7.139 1.00 0.00 H new ATOM 0 HG2 LYS A 44 -10.254 -2.098 -6.100 1.00 0.00 H new ATOM 0 HG3 LYS A 44 -8.693 -1.934 -6.879 1.00 0.00 H new ATOM 0 HD2 LYS A 44 -9.557 -2.893 -8.963 1.00 0.00 H new ATOM 0 HD3 LYS A 44 -11.080 -3.305 -8.200 1.00 0.00 H new ATOM 0 HE2 LYS A 44 -11.765 -1.050 -8.018 1.00 0.00 H new ATOM 0 HE3 LYS A 44 -10.122 -0.440 -8.043 1.00 0.00 H new ATOM 0 HZ1 LYS A 44 -10.437 -0.041 -10.168 1.00 0.00 H new ATOM 0 HZ2 LYS A 44 -10.438 -1.716 -10.446 1.00 0.00 H new ATOM 0 HZ3 LYS A 44 -11.904 -0.896 -10.197 1.00 0.00 H new ATOM 665 N LEU A 45 -9.543 -6.071 -3.929 1.00 0.00 N ATOM 666 CA LEU A 45 -8.886 -7.167 -3.230 1.00 0.00 C ATOM 667 C LEU A 45 -9.885 -8.206 -2.773 1.00 0.00 C ATOM 668 O LEU A 45 -10.989 -7.874 -2.331 1.00 0.00 O ATOM 669 CB LEU A 45 -8.049 -6.637 -2.058 1.00 0.00 C ATOM 670 CG LEU A 45 -6.969 -5.614 -2.473 1.00 0.00 C ATOM 671 CD1 LEU A 45 -6.067 -5.331 -1.271 1.00 0.00 C ATOM 672 CD2 LEU A 45 -6.148 -6.058 -3.689 1.00 0.00 C ATOM 0 H LEU A 45 -9.852 -5.314 -3.319 1.00 0.00 H new ATOM 0 HA LEU A 45 -8.210 -7.658 -3.930 1.00 0.00 H new ATOM 0 HB2 LEU A 45 -8.714 -6.173 -1.330 1.00 0.00 H new ATOM 0 HB3 LEU A 45 -7.567 -7.478 -1.559 1.00 0.00 H new ATOM 0 HG LEU A 45 -7.476 -4.701 -2.784 1.00 0.00 H new ATOM 0 HD11 LEU A 45 -5.300 -4.609 -1.553 1.00 0.00 H new ATOM 0 HD12 LEU A 45 -6.665 -4.925 -0.455 1.00 0.00 H new ATOM 0 HD13 LEU A 45 -5.592 -6.257 -0.947 1.00 0.00 H new ATOM 0 HD21 LEU A 45 -5.408 -5.294 -3.927 1.00 0.00 H new ATOM 0 HD22 LEU A 45 -5.641 -6.996 -3.463 1.00 0.00 H new ATOM 0 HD23 LEU A 45 -6.810 -6.200 -4.543 1.00 0.00 H new ATOM 684 N SER A 46 -9.479 -9.464 -2.877 1.00 0.00 N ATOM 685 CA SER A 46 -10.299 -10.597 -2.496 1.00 0.00 C ATOM 686 C SER A 46 -10.348 -10.702 -0.977 1.00 0.00 C ATOM 687 O SER A 46 -9.402 -10.292 -0.304 1.00 0.00 O ATOM 688 CB SER A 46 -9.703 -11.868 -3.092 1.00 0.00 C ATOM 689 OG SER A 46 -9.698 -11.818 -4.506 1.00 0.00 O ATOM 0 H SER A 46 -8.560 -9.725 -3.233 1.00 0.00 H new ATOM 0 HA SER A 46 -11.313 -10.465 -2.873 1.00 0.00 H new ATOM 0 HB2 SER A 46 -8.685 -12.001 -2.727 1.00 0.00 H new ATOM 0 HB3 SER A 46 -10.277 -12.733 -2.758 1.00 0.00 H new ATOM 0 HG SER A 46 -8.942 -11.274 -4.811 1.00 0.00 H new ATOM 695 N SER A 47 -11.399 -11.312 -0.430 1.00 0.00 N ATOM 696 CA SER A 47 -11.561 -11.467 1.011 1.00 0.00 C ATOM 697 C SER A 47 -10.376 -12.190 1.674 1.00 0.00 C ATOM 698 O SER A 47 -9.987 -11.820 2.784 1.00 0.00 O ATOM 699 CB SER A 47 -12.916 -12.113 1.310 1.00 0.00 C ATOM 700 OG SER A 47 -13.241 -13.143 0.389 1.00 0.00 O ATOM 0 H SER A 47 -12.162 -11.712 -0.976 1.00 0.00 H new ATOM 0 HA SER A 47 -11.556 -10.477 1.467 1.00 0.00 H new ATOM 0 HB2 SER A 47 -12.905 -12.523 2.320 1.00 0.00 H new ATOM 0 HB3 SER A 47 -13.693 -11.349 1.285 1.00 0.00 H new ATOM 0 HG SER A 47 -14.113 -13.526 0.621 1.00 0.00 H new ATOM 706 N ASN A 48 -9.762 -13.183 1.018 1.00 0.00 N ATOM 707 CA ASN A 48 -8.616 -13.881 1.601 1.00 0.00 C ATOM 708 C ASN A 48 -7.399 -12.948 1.594 1.00 0.00 C ATOM 709 O ASN A 48 -6.857 -12.625 2.653 1.00 0.00 O ATOM 710 CB ASN A 48 -8.328 -15.205 0.876 1.00 0.00 C ATOM 711 CG ASN A 48 -7.174 -15.950 1.544 1.00 0.00 C ATOM 712 OD1 ASN A 48 -6.058 -15.451 1.639 1.00 0.00 O ATOM 713 ND2 ASN A 48 -7.401 -17.165 2.006 1.00 0.00 N ATOM 0 H ASN A 48 -10.038 -13.516 0.094 1.00 0.00 H new ATOM 0 HA ASN A 48 -8.849 -14.145 2.633 1.00 0.00 H new ATOM 0 HB2 ASN A 48 -9.221 -15.829 0.881 1.00 0.00 H new ATOM 0 HB3 ASN A 48 -8.083 -15.007 -0.168 1.00 0.00 H new ATOM 0 HD21 ASN A 48 -6.646 -17.693 2.444 1.00 0.00 H new ATOM 0 HD22 ASN A 48 -8.331 -17.576 1.925 1.00 0.00 H new ATOM 720 N ALA A 49 -6.992 -12.464 0.414 1.00 0.00 N ATOM 721 CA ALA A 49 -5.843 -11.575 0.280 1.00 0.00 C ATOM 722 C ALA A 49 -5.956 -10.323 1.144 1.00 0.00 C ATOM 723 O ALA A 49 -4.997 -9.960 1.821 1.00 0.00 O ATOM 724 CB ALA A 49 -5.671 -11.147 -1.173 1.00 0.00 C ATOM 0 H ALA A 49 -7.452 -12.680 -0.470 1.00 0.00 H new ATOM 0 HA ALA A 49 -4.978 -12.144 0.621 1.00 0.00 H new ATOM 0 HB1 ALA A 49 -4.810 -10.484 -1.258 1.00 0.00 H new ATOM 0 HB2 ALA A 49 -5.513 -12.028 -1.796 1.00 0.00 H new ATOM 0 HB3 ALA A 49 -6.567 -10.623 -1.506 1.00 0.00 H new ATOM 730 N VAL A 50 -7.107 -9.651 1.159 1.00 0.00 N ATOM 731 CA VAL A 50 -7.277 -8.438 1.945 1.00 0.00 C ATOM 732 C VAL A 50 -7.076 -8.713 3.449 1.00 0.00 C ATOM 733 O VAL A 50 -6.739 -7.802 4.206 1.00 0.00 O ATOM 734 CB VAL A 50 -8.634 -7.784 1.615 1.00 0.00 C ATOM 735 CG1 VAL A 50 -9.781 -8.327 2.471 1.00 0.00 C ATOM 736 CG2 VAL A 50 -8.584 -6.267 1.780 1.00 0.00 C ATOM 0 H VAL A 50 -7.935 -9.930 0.633 1.00 0.00 H new ATOM 0 HA VAL A 50 -6.503 -7.719 1.675 1.00 0.00 H new ATOM 0 HB VAL A 50 -8.827 -8.038 0.573 1.00 0.00 H new ATOM 0 HG11 VAL A 50 -10.710 -7.829 2.193 1.00 0.00 H new ATOM 0 HG12 VAL A 50 -9.881 -9.400 2.307 1.00 0.00 H new ATOM 0 HG13 VAL A 50 -9.570 -8.139 3.524 1.00 0.00 H new ATOM 0 HG21 VAL A 50 -9.558 -5.842 1.539 1.00 0.00 H new ATOM 0 HG22 VAL A 50 -8.326 -6.021 2.810 1.00 0.00 H new ATOM 0 HG23 VAL A 50 -7.831 -5.853 1.109 1.00 0.00 H new ATOM 746 N SER A 51 -7.287 -9.953 3.906 1.00 0.00 N ATOM 747 CA SER A 51 -7.134 -10.329 5.304 1.00 0.00 C ATOM 748 C SER A 51 -5.672 -10.375 5.750 1.00 0.00 C ATOM 749 O SER A 51 -5.432 -10.328 6.957 1.00 0.00 O ATOM 750 CB SER A 51 -7.881 -11.637 5.584 1.00 0.00 C ATOM 751 OG SER A 51 -9.258 -11.453 5.298 1.00 0.00 O ATOM 0 H SER A 51 -7.571 -10.726 3.305 1.00 0.00 H new ATOM 0 HA SER A 51 -7.588 -9.547 5.912 1.00 0.00 H new ATOM 0 HB2 SER A 51 -7.474 -12.442 4.972 1.00 0.00 H new ATOM 0 HB3 SER A 51 -7.749 -11.931 6.625 1.00 0.00 H new ATOM 0 HG SER A 51 -9.389 -11.421 4.327 1.00 0.00 H new ATOM 757 N GLN A 52 -4.698 -10.445 4.832 1.00 0.00 N ATOM 758 CA GLN A 52 -3.297 -10.467 5.246 1.00 0.00 C ATOM 759 C GLN A 52 -2.884 -9.077 5.765 1.00 0.00 C ATOM 760 O GLN A 52 -1.939 -8.982 6.548 1.00 0.00 O ATOM 761 CB GLN A 52 -2.348 -10.910 4.119 1.00 0.00 C ATOM 762 CG GLN A 52 -2.792 -12.080 3.224 1.00 0.00 C ATOM 763 CD GLN A 52 -3.181 -13.347 3.974 1.00 0.00 C ATOM 764 OE1 GLN A 52 -2.317 -14.049 4.499 1.00 0.00 O ATOM 765 NE2 GLN A 52 -4.459 -13.694 4.013 1.00 0.00 N ATOM 0 H GLN A 52 -4.852 -10.486 3.825 1.00 0.00 H new ATOM 0 HA GLN A 52 -3.210 -11.206 6.043 1.00 0.00 H new ATOM 0 HB2 GLN A 52 -2.165 -10.048 3.477 1.00 0.00 H new ATOM 0 HB3 GLN A 52 -1.393 -11.178 4.571 1.00 0.00 H new ATOM 0 HG2 GLN A 52 -3.641 -11.756 2.622 1.00 0.00 H new ATOM 0 HG3 GLN A 52 -1.983 -12.318 2.533 1.00 0.00 H new ATOM 0 HE21 GLN A 52 -5.162 -13.101 3.573 1.00 0.00 H new ATOM 0 HE22 GLN A 52 -4.740 -14.554 4.483 1.00 0.00 H new ATOM 774 N ILE A 53 -3.582 -8.014 5.344 1.00 0.00 N ATOM 775 CA ILE A 53 -3.330 -6.631 5.737 1.00 0.00 C ATOM 776 C ILE A 53 -3.529 -6.508 7.252 1.00 0.00 C ATOM 777 O ILE A 53 -4.394 -7.165 7.839 1.00 0.00 O ATOM 778 CB ILE A 53 -4.276 -5.676 4.955 1.00 0.00 C ATOM 779 CG1 ILE A 53 -4.069 -5.824 3.426 1.00 0.00 C ATOM 780 CG2 ILE A 53 -4.088 -4.206 5.378 1.00 0.00 C ATOM 781 CD1 ILE A 53 -5.024 -4.984 2.568 1.00 0.00 C ATOM 0 H ILE A 53 -4.365 -8.102 4.697 1.00 0.00 H new ATOM 0 HA ILE A 53 -2.306 -6.346 5.494 1.00 0.00 H new ATOM 0 HB ILE A 53 -5.298 -5.965 5.202 1.00 0.00 H new ATOM 0 HG12 ILE A 53 -3.043 -5.546 3.183 1.00 0.00 H new ATOM 0 HG13 ILE A 53 -4.187 -6.874 3.156 1.00 0.00 H new ATOM 0 HG21 ILE A 53 -4.768 -3.573 4.807 1.00 0.00 H new ATOM 0 HG22 ILE A 53 -4.303 -4.103 6.442 1.00 0.00 H new ATOM 0 HG23 ILE A 53 -3.060 -3.900 5.185 1.00 0.00 H new ATOM 0 HD11 ILE A 53 -4.807 -5.150 1.513 1.00 0.00 H new ATOM 0 HD12 ILE A 53 -6.053 -5.276 2.777 1.00 0.00 H new ATOM 0 HD13 ILE A 53 -4.892 -3.928 2.804 1.00 0.00 H new ATOM 793 N THR A 54 -2.741 -5.639 7.882 1.00 0.00 N ATOM 794 CA THR A 54 -2.770 -5.353 9.305 1.00 0.00 C ATOM 795 C THR A 54 -2.051 -4.015 9.528 1.00 0.00 C ATOM 796 O THR A 54 -1.402 -3.497 8.614 1.00 0.00 O ATOM 797 CB THR A 54 -2.111 -6.530 10.052 1.00 0.00 C ATOM 798 OG1 THR A 54 -2.343 -6.455 11.445 1.00 0.00 O ATOM 799 CG2 THR A 54 -0.611 -6.666 9.772 1.00 0.00 C ATOM 0 H THR A 54 -2.035 -5.093 7.387 1.00 0.00 H new ATOM 0 HA THR A 54 -3.784 -5.255 9.693 1.00 0.00 H new ATOM 0 HB THR A 54 -2.589 -7.428 9.660 1.00 0.00 H new ATOM 0 HG1 THR A 54 -1.914 -7.216 11.889 1.00 0.00 H new ATOM 0 HG21 THR A 54 -0.212 -7.514 10.329 1.00 0.00 H new ATOM 0 HG22 THR A 54 -0.453 -6.826 8.706 1.00 0.00 H new ATOM 0 HG23 THR A 54 -0.099 -5.755 10.082 1.00 0.00 H new ATOM 807 N ARG A 55 -2.155 -3.466 10.744 1.00 0.00 N ATOM 808 CA ARG A 55 -1.537 -2.213 11.195 1.00 0.00 C ATOM 809 C ARG A 55 -1.694 -1.056 10.192 1.00 0.00 C ATOM 810 O ARG A 55 -0.799 -0.216 10.069 1.00 0.00 O ATOM 811 CB ARG A 55 -0.072 -2.511 11.608 1.00 0.00 C ATOM 812 CG ARG A 55 -0.004 -3.460 12.819 1.00 0.00 C ATOM 813 CD ARG A 55 1.408 -3.924 13.211 1.00 0.00 C ATOM 814 NE ARG A 55 1.979 -4.941 12.309 1.00 0.00 N ATOM 815 CZ ARG A 55 1.691 -6.244 12.285 1.00 0.00 C ATOM 816 NH1 ARG A 55 0.745 -6.746 13.054 1.00 0.00 N ATOM 817 NH2 ARG A 55 2.347 -7.052 11.450 1.00 0.00 N ATOM 0 H ARG A 55 -2.703 -3.909 11.481 1.00 0.00 H new ATOM 0 HA ARG A 55 -2.070 -1.841 12.070 1.00 0.00 H new ATOM 0 HB2 ARG A 55 0.460 -2.955 10.767 1.00 0.00 H new ATOM 0 HB3 ARG A 55 0.436 -1.577 11.849 1.00 0.00 H new ATOM 0 HG2 ARG A 55 -0.456 -2.961 13.676 1.00 0.00 H new ATOM 0 HG3 ARG A 55 -0.611 -4.339 12.605 1.00 0.00 H new ATOM 0 HD2 ARG A 55 2.071 -3.059 13.231 1.00 0.00 H new ATOM 0 HD3 ARG A 55 1.379 -4.327 14.223 1.00 0.00 H new ATOM 0 HE ARG A 55 2.667 -4.614 11.631 1.00 0.00 H new ATOM 0 HH11 ARG A 55 0.220 -6.136 13.680 1.00 0.00 H new ATOM 0 HH12 ARG A 55 0.538 -7.744 13.022 1.00 0.00 H new ATOM 0 HH21 ARG A 55 3.066 -6.673 10.833 1.00 0.00 H new ATOM 0 HH22 ARG A 55 2.130 -8.048 11.429 1.00 0.00 H new ATOM 831 N MET A 56 -2.823 -0.994 9.473 1.00 0.00 N ATOM 832 CA MET A 56 -3.078 0.053 8.488 1.00 0.00 C ATOM 833 C MET A 56 -3.258 1.408 9.169 1.00 0.00 C ATOM 834 O MET A 56 -4.171 1.567 9.987 1.00 0.00 O ATOM 835 CB MET A 56 -4.288 -0.278 7.602 1.00 0.00 C ATOM 836 CG MET A 56 -4.470 0.780 6.497 1.00 0.00 C ATOM 837 SD MET A 56 -6.108 0.845 5.726 1.00 0.00 S ATOM 838 CE MET A 56 -6.187 -0.811 5.006 1.00 0.00 C ATOM 0 H MET A 56 -3.582 -1.670 9.562 1.00 0.00 H new ATOM 0 HA MET A 56 -2.204 0.107 7.838 1.00 0.00 H new ATOM 0 HB2 MET A 56 -4.154 -1.261 7.151 1.00 0.00 H new ATOM 0 HB3 MET A 56 -5.188 -0.328 8.214 1.00 0.00 H new ATOM 0 HG2 MET A 56 -4.249 1.760 6.920 1.00 0.00 H new ATOM 0 HG3 MET A 56 -3.730 0.595 5.718 1.00 0.00 H new ATOM 0 HE1 MET A 56 -7.183 -0.983 4.598 1.00 0.00 H new ATOM 0 HE2 MET A 56 -5.449 -0.897 4.209 1.00 0.00 H new ATOM 0 HE3 MET A 56 -5.977 -1.553 5.776 1.00 0.00 H new ATOM 848 N CYS A 57 -2.380 2.359 8.852 1.00 0.00 N ATOM 849 CA CYS A 57 -2.399 3.719 9.372 1.00 0.00 C ATOM 850 C CYS A 57 -2.349 4.726 8.219 1.00 0.00 C ATOM 851 O CYS A 57 -2.084 4.369 7.068 1.00 0.00 O ATOM 852 CB CYS A 57 -1.252 3.931 10.368 1.00 0.00 C ATOM 853 SG CYS A 57 -1.496 2.896 11.839 1.00 0.00 S ATOM 0 H CYS A 57 -1.610 2.194 8.203 1.00 0.00 H new ATOM 0 HA CYS A 57 -3.331 3.881 9.913 1.00 0.00 H new ATOM 0 HB2 CYS A 57 -0.301 3.685 9.896 1.00 0.00 H new ATOM 0 HB3 CYS A 57 -1.202 4.981 10.658 1.00 0.00 H new ATOM 0 HG CYS A 57 -0.515 3.086 12.671 1.00 0.00 H new ATOM 859 N LEU A 58 -2.661 5.983 8.537 1.00 0.00 N ATOM 860 CA LEU A 58 -2.648 7.096 7.592 1.00 0.00 C ATOM 861 C LEU A 58 -1.197 7.509 7.348 1.00 0.00 C ATOM 862 O LEU A 58 -0.354 7.347 8.237 1.00 0.00 O ATOM 863 CB LEU A 58 -3.359 8.313 8.224 1.00 0.00 C ATOM 864 CG LEU A 58 -4.885 8.195 8.372 1.00 0.00 C ATOM 865 CD1 LEU A 58 -5.425 9.265 9.327 1.00 0.00 C ATOM 866 CD2 LEU A 58 -5.577 8.345 7.017 1.00 0.00 C ATOM 0 H LEU A 58 -2.935 6.260 9.480 1.00 0.00 H new ATOM 0 HA LEU A 58 -3.142 6.792 6.669 1.00 0.00 H new ATOM 0 HB2 LEU A 58 -2.930 8.488 9.210 1.00 0.00 H new ATOM 0 HB3 LEU A 58 -3.139 9.193 7.619 1.00 0.00 H new ATOM 0 HG LEU A 58 -5.097 7.206 8.779 1.00 0.00 H new ATOM 0 HD11 LEU A 58 -6.506 9.161 9.416 1.00 0.00 H new ATOM 0 HD12 LEU A 58 -4.967 9.141 10.308 1.00 0.00 H new ATOM 0 HD13 LEU A 58 -5.186 10.255 8.937 1.00 0.00 H new ATOM 0 HD21 LEU A 58 -6.656 8.258 7.148 1.00 0.00 H new ATOM 0 HD22 LEU A 58 -5.340 9.321 6.594 1.00 0.00 H new ATOM 0 HD23 LEU A 58 -5.229 7.563 6.342 1.00 0.00 H new ATOM 878 N LEU A 59 -0.887 8.027 6.159 1.00 0.00 N ATOM 879 CA LEU A 59 0.462 8.507 5.853 1.00 0.00 C ATOM 880 C LEU A 59 0.535 9.946 6.367 1.00 0.00 C ATOM 881 O LEU A 59 -0.510 10.586 6.551 1.00 0.00 O ATOM 882 CB LEU A 59 0.719 8.488 4.338 1.00 0.00 C ATOM 883 CG LEU A 59 0.989 7.067 3.812 1.00 0.00 C ATOM 884 CD1 LEU A 59 0.806 7.002 2.295 1.00 0.00 C ATOM 885 CD2 LEU A 59 2.412 6.610 4.164 1.00 0.00 C ATOM 0 H LEU A 59 -1.552 8.125 5.392 1.00 0.00 H new ATOM 0 HA LEU A 59 1.212 7.869 6.321 1.00 0.00 H new ATOM 0 HB2 LEU A 59 -0.143 8.908 3.820 1.00 0.00 H new ATOM 0 HB3 LEU A 59 1.572 9.127 4.108 1.00 0.00 H new ATOM 0 HG LEU A 59 0.270 6.403 4.291 1.00 0.00 H new ATOM 0 HD11 LEU A 59 1.002 5.988 1.948 1.00 0.00 H new ATOM 0 HD12 LEU A 59 -0.216 7.281 2.040 1.00 0.00 H new ATOM 0 HD13 LEU A 59 1.501 7.691 1.815 1.00 0.00 H new ATOM 0 HD21 LEU A 59 2.576 5.603 3.781 1.00 0.00 H new ATOM 0 HD22 LEU A 59 3.135 7.291 3.715 1.00 0.00 H new ATOM 0 HD23 LEU A 59 2.537 6.611 5.247 1.00 0.00 H new ATOM 897 N LYS A 60 1.738 10.478 6.618 1.00 0.00 N ATOM 898 CA LYS A 60 1.862 11.857 7.092 1.00 0.00 C ATOM 899 C LYS A 60 1.458 12.756 5.929 1.00 0.00 C ATOM 900 O LYS A 60 2.230 12.904 4.974 1.00 0.00 O ATOM 901 CB LYS A 60 3.265 12.190 7.623 1.00 0.00 C ATOM 902 CG LYS A 60 3.270 13.620 8.186 1.00 0.00 C ATOM 903 CD LYS A 60 4.643 14.150 8.605 1.00 0.00 C ATOM 904 CE LYS A 60 4.576 15.669 8.833 1.00 0.00 C ATOM 905 NZ LYS A 60 3.754 16.044 10.003 1.00 0.00 N ATOM 0 H LYS A 60 2.623 9.983 6.503 1.00 0.00 H new ATOM 0 HA LYS A 60 1.209 12.014 7.951 1.00 0.00 H new ATOM 0 HB2 LYS A 60 3.550 11.480 8.400 1.00 0.00 H new ATOM 0 HB3 LYS A 60 4.000 12.099 6.823 1.00 0.00 H new ATOM 0 HG2 LYS A 60 2.853 14.291 7.435 1.00 0.00 H new ATOM 0 HG3 LYS A 60 2.605 13.656 9.049 1.00 0.00 H new ATOM 0 HD2 LYS A 60 4.971 13.652 9.517 1.00 0.00 H new ATOM 0 HD3 LYS A 60 5.380 13.922 7.835 1.00 0.00 H new ATOM 0 HE2 LYS A 60 5.586 16.055 8.968 1.00 0.00 H new ATOM 0 HE3 LYS A 60 4.168 16.147 7.942 1.00 0.00 H new ATOM 0 HZ1 LYS A 60 3.747 17.079 10.105 1.00 0.00 H new ATOM 0 HZ2 LYS A 60 2.781 15.703 9.867 1.00 0.00 H new ATOM 0 HZ3 LYS A 60 4.155 15.614 10.861 1.00 0.00 H new ATOM 919 N GLY A 61 0.263 13.330 6.028 1.00 0.00 N ATOM 920 CA GLY A 61 -0.336 14.205 5.039 1.00 0.00 C ATOM 921 C GLY A 61 -1.757 13.795 4.684 1.00 0.00 C ATOM 922 O GLY A 61 -2.483 14.620 4.146 1.00 0.00 O ATOM 0 H GLY A 61 -0.338 13.188 6.840 1.00 0.00 H new ATOM 0 HA2 GLY A 61 -0.340 15.227 5.418 1.00 0.00 H new ATOM 0 HA3 GLY A 61 0.276 14.201 4.137 1.00 0.00 H new ATOM 926 N ASN A 62 -2.196 12.579 5.045 1.00 0.00 N ATOM 927 CA ASN A 62 -3.531 12.049 4.761 1.00 0.00 C ATOM 928 C ASN A 62 -3.731 11.873 3.256 1.00 0.00 C ATOM 929 O ASN A 62 -4.864 11.851 2.778 1.00 0.00 O ATOM 930 CB ASN A 62 -4.661 12.868 5.417 1.00 0.00 C ATOM 931 CG ASN A 62 -4.449 13.081 6.905 1.00 0.00 C ATOM 932 OD1 ASN A 62 -4.015 12.182 7.617 1.00 0.00 O ATOM 933 ND2 ASN A 62 -4.692 14.277 7.413 1.00 0.00 N ATOM 0 H ASN A 62 -1.610 11.920 5.558 1.00 0.00 H new ATOM 0 HA ASN A 62 -3.592 11.064 5.224 1.00 0.00 H new ATOM 0 HB2 ASN A 62 -4.734 13.837 4.923 1.00 0.00 H new ATOM 0 HB3 ASN A 62 -5.611 12.358 5.260 1.00 0.00 H new ATOM 0 HD21 ASN A 62 -4.518 14.456 8.402 1.00 0.00 H new ATOM 0 HD22 ASN A 62 -5.053 15.021 6.816 1.00 0.00 H new ATOM 940 N MET A 63 -2.636 11.731 2.506 1.00 0.00 N ATOM 941 CA MET A 63 -2.620 11.542 1.067 1.00 0.00 C ATOM 942 C MET A 63 -2.190 10.100 0.777 1.00 0.00 C ATOM 943 O MET A 63 -1.210 9.836 0.074 1.00 0.00 O ATOM 944 CB MET A 63 -1.781 12.629 0.370 1.00 0.00 C ATOM 945 CG MET A 63 -2.285 14.055 0.642 1.00 0.00 C ATOM 946 SD MET A 63 -4.041 14.367 0.289 1.00 0.00 S ATOM 947 CE MET A 63 -3.998 14.528 -1.517 1.00 0.00 C ATOM 0 H MET A 63 -1.699 11.746 2.909 1.00 0.00 H new ATOM 0 HA MET A 63 -3.615 11.670 0.640 1.00 0.00 H new ATOM 0 HB2 MET A 63 -0.746 12.548 0.702 1.00 0.00 H new ATOM 0 HB3 MET A 63 -1.786 12.448 -0.705 1.00 0.00 H new ATOM 0 HG2 MET A 63 -2.099 14.290 1.690 1.00 0.00 H new ATOM 0 HG3 MET A 63 -1.688 14.748 0.049 1.00 0.00 H new ATOM 0 HE1 MET A 63 -4.928 14.979 -1.864 1.00 0.00 H new ATOM 0 HE2 MET A 63 -3.158 15.160 -1.806 1.00 0.00 H new ATOM 0 HE3 MET A 63 -3.882 13.542 -1.968 1.00 0.00 H new ATOM 957 N GLY A 64 -2.907 9.156 1.391 1.00 0.00 N ATOM 958 CA GLY A 64 -2.709 7.720 1.251 1.00 0.00 C ATOM 959 C GLY A 64 -2.630 6.993 2.589 1.00 0.00 C ATOM 960 O GLY A 64 -2.688 7.608 3.661 1.00 0.00 O ATOM 0 H GLY A 64 -3.672 9.386 2.025 1.00 0.00 H new ATOM 0 HA2 GLY A 64 -3.528 7.302 0.665 1.00 0.00 H new ATOM 0 HA3 GLY A 64 -1.791 7.539 0.691 1.00 0.00 H new ATOM 964 N VAL A 65 -2.507 5.665 2.517 1.00 0.00 N ATOM 965 CA VAL A 65 -2.410 4.767 3.664 1.00 0.00 C ATOM 966 C VAL A 65 -1.251 3.791 3.463 1.00 0.00 C ATOM 967 O VAL A 65 -0.848 3.489 2.334 1.00 0.00 O ATOM 968 CB VAL A 65 -3.745 4.026 3.901 1.00 0.00 C ATOM 969 CG1 VAL A 65 -4.884 4.996 4.247 1.00 0.00 C ATOM 970 CG2 VAL A 65 -4.176 3.151 2.711 1.00 0.00 C ATOM 0 H VAL A 65 -2.471 5.171 1.625 1.00 0.00 H new ATOM 0 HA VAL A 65 -2.208 5.356 4.559 1.00 0.00 H new ATOM 0 HB VAL A 65 -3.554 3.369 4.750 1.00 0.00 H new ATOM 0 HG11 VAL A 65 -5.805 4.434 4.406 1.00 0.00 H new ATOM 0 HG12 VAL A 65 -4.632 5.544 5.155 1.00 0.00 H new ATOM 0 HG13 VAL A 65 -5.025 5.699 3.426 1.00 0.00 H new ATOM 0 HG21 VAL A 65 -5.121 2.659 2.944 1.00 0.00 H new ATOM 0 HG22 VAL A 65 -4.301 3.776 1.826 1.00 0.00 H new ATOM 0 HG23 VAL A 65 -3.413 2.397 2.518 1.00 0.00 H new ATOM 980 N CYS A 66 -0.748 3.229 4.556 1.00 0.00 N ATOM 981 CA CYS A 66 0.359 2.283 4.572 1.00 0.00 C ATOM 982 C CYS A 66 0.020 1.082 5.446 1.00 0.00 C ATOM 983 O CYS A 66 -0.784 1.194 6.373 1.00 0.00 O ATOM 984 CB CYS A 66 1.614 2.990 5.091 1.00 0.00 C ATOM 985 SG CYS A 66 1.270 4.108 6.486 1.00 0.00 S ATOM 0 H CYS A 66 -1.113 3.427 5.488 1.00 0.00 H new ATOM 0 HA CYS A 66 0.542 1.921 3.560 1.00 0.00 H new ATOM 0 HB2 CYS A 66 2.344 2.243 5.402 1.00 0.00 H new ATOM 0 HB3 CYS A 66 2.067 3.559 4.279 1.00 0.00 H new ATOM 0 HG CYS A 66 2.376 4.670 6.875 1.00 0.00 H new ATOM 991 N PHE A 67 0.616 -0.065 5.129 1.00 0.00 N ATOM 992 CA PHE A 67 0.477 -1.346 5.809 1.00 0.00 C ATOM 993 C PHE A 67 1.615 -2.262 5.333 1.00 0.00 C ATOM 994 O PHE A 67 2.420 -1.875 4.489 1.00 0.00 O ATOM 995 CB PHE A 67 -0.921 -1.955 5.583 1.00 0.00 C ATOM 996 CG PHE A 67 -1.380 -2.114 4.145 1.00 0.00 C ATOM 997 CD1 PHE A 67 -0.850 -3.144 3.348 1.00 0.00 C ATOM 998 CD2 PHE A 67 -2.398 -1.290 3.624 1.00 0.00 C ATOM 999 CE1 PHE A 67 -1.322 -3.338 2.040 1.00 0.00 C ATOM 1000 CE2 PHE A 67 -2.868 -1.487 2.313 1.00 0.00 C ATOM 1001 CZ PHE A 67 -2.322 -2.503 1.512 1.00 0.00 C ATOM 0 H PHE A 67 1.253 -0.126 4.334 1.00 0.00 H new ATOM 0 HA PHE A 67 0.560 -1.215 6.888 1.00 0.00 H new ATOM 0 HB2 PHE A 67 -0.943 -2.937 6.056 1.00 0.00 H new ATOM 0 HB3 PHE A 67 -1.649 -1.334 6.104 1.00 0.00 H new ATOM 0 HD1 PHE A 67 -0.078 -3.788 3.743 1.00 0.00 H new ATOM 0 HD2 PHE A 67 -2.819 -0.504 4.234 1.00 0.00 H new ATOM 0 HE1 PHE A 67 -0.914 -4.134 1.435 1.00 0.00 H new ATOM 0 HE2 PHE A 67 -3.651 -0.855 1.921 1.00 0.00 H new ATOM 0 HZ PHE A 67 -2.668 -2.642 0.498 1.00 0.00 H new ATOM 1011 N ASP A 68 1.700 -3.472 5.880 1.00 0.00 N ATOM 1012 CA ASP A 68 2.712 -4.478 5.547 1.00 0.00 C ATOM 1013 C ASP A 68 1.974 -5.765 5.178 1.00 0.00 C ATOM 1014 O ASP A 68 0.890 -6.012 5.720 1.00 0.00 O ATOM 1015 CB ASP A 68 3.595 -4.748 6.766 1.00 0.00 C ATOM 1016 CG ASP A 68 4.495 -3.605 7.227 1.00 0.00 C ATOM 1017 OD1 ASP A 68 5.136 -2.913 6.402 1.00 0.00 O ATOM 1018 OD2 ASP A 68 4.520 -3.391 8.461 1.00 0.00 O ATOM 0 H ASP A 68 1.044 -3.793 6.593 1.00 0.00 H new ATOM 0 HA ASP A 68 3.338 -4.130 4.725 1.00 0.00 H new ATOM 0 HB2 ASP A 68 2.950 -5.030 7.598 1.00 0.00 H new ATOM 0 HB3 ASP A 68 4.225 -5.610 6.546 1.00 0.00 H new ATOM 1023 N VAL A 69 2.554 -6.604 4.318 1.00 0.00 N ATOM 1024 CA VAL A 69 1.975 -7.864 3.843 1.00 0.00 C ATOM 1025 C VAL A 69 3.069 -8.899 3.529 1.00 0.00 C ATOM 1026 O VAL A 69 4.230 -8.528 3.335 1.00 0.00 O ATOM 1027 CB VAL A 69 1.172 -7.590 2.539 1.00 0.00 C ATOM 1028 CG1 VAL A 69 -0.165 -6.896 2.812 1.00 0.00 C ATOM 1029 CG2 VAL A 69 1.952 -6.777 1.490 1.00 0.00 C ATOM 0 H VAL A 69 3.474 -6.419 3.918 1.00 0.00 H new ATOM 0 HA VAL A 69 1.331 -8.260 4.628 1.00 0.00 H new ATOM 0 HB VAL A 69 0.988 -8.582 2.126 1.00 0.00 H new ATOM 0 HG11 VAL A 69 -0.686 -6.727 1.870 1.00 0.00 H new ATOM 0 HG12 VAL A 69 -0.777 -7.526 3.458 1.00 0.00 H new ATOM 0 HG13 VAL A 69 0.015 -5.940 3.303 1.00 0.00 H new ATOM 0 HG21 VAL A 69 1.328 -6.626 0.609 1.00 0.00 H new ATOM 0 HG22 VAL A 69 2.227 -5.810 1.910 1.00 0.00 H new ATOM 0 HG23 VAL A 69 2.854 -7.319 1.207 1.00 0.00 H new ATOM 1039 N PRO A 70 2.739 -10.205 3.454 1.00 0.00 N ATOM 1040 CA PRO A 70 3.730 -11.208 3.104 1.00 0.00 C ATOM 1041 C PRO A 70 4.045 -11.045 1.614 1.00 0.00 C ATOM 1042 O PRO A 70 3.155 -10.770 0.805 1.00 0.00 O ATOM 1043 CB PRO A 70 3.079 -12.562 3.398 1.00 0.00 C ATOM 1044 CG PRO A 70 1.586 -12.283 3.239 1.00 0.00 C ATOM 1045 CD PRO A 70 1.437 -10.824 3.673 1.00 0.00 C ATOM 0 HA PRO A 70 4.662 -11.117 3.662 1.00 0.00 H new ATOM 0 HB2 PRO A 70 3.420 -13.330 2.704 1.00 0.00 H new ATOM 0 HB3 PRO A 70 3.317 -12.912 4.402 1.00 0.00 H new ATOM 0 HG2 PRO A 70 1.260 -12.429 2.209 1.00 0.00 H new ATOM 0 HG3 PRO A 70 0.987 -12.948 3.861 1.00 0.00 H new ATOM 0 HD2 PRO A 70 0.663 -10.321 3.093 1.00 0.00 H new ATOM 0 HD3 PRO A 70 1.144 -10.756 4.721 1.00 0.00 H new ATOM 1053 N THR A 71 5.299 -11.274 1.235 1.00 0.00 N ATOM 1054 CA THR A 71 5.786 -11.173 -0.141 1.00 0.00 C ATOM 1055 C THR A 71 4.959 -12.048 -1.097 1.00 0.00 C ATOM 1056 O THR A 71 4.696 -11.659 -2.234 1.00 0.00 O ATOM 1057 CB THR A 71 7.283 -11.531 -0.138 1.00 0.00 C ATOM 1058 OG1 THR A 71 7.506 -12.637 0.724 1.00 0.00 O ATOM 1059 CG2 THR A 71 8.096 -10.344 0.386 1.00 0.00 C ATOM 0 H THR A 71 6.028 -11.543 1.896 1.00 0.00 H new ATOM 0 HA THR A 71 5.667 -10.156 -0.515 1.00 0.00 H new ATOM 0 HB THR A 71 7.588 -11.777 -1.155 1.00 0.00 H new ATOM 0 HG1 THR A 71 8.459 -12.865 0.724 1.00 0.00 H new ATOM 0 HG21 THR A 71 9.155 -10.601 0.387 1.00 0.00 H new ATOM 0 HG22 THR A 71 7.933 -9.479 -0.257 1.00 0.00 H new ATOM 0 HG23 THR A 71 7.779 -10.106 1.402 1.00 0.00 H new ATOM 1067 N THR A 72 4.459 -13.187 -0.610 1.00 0.00 N ATOM 1068 CA THR A 72 3.649 -14.123 -1.371 1.00 0.00 C ATOM 1069 C THR A 72 2.378 -13.446 -1.908 1.00 0.00 C ATOM 1070 O THR A 72 1.940 -13.770 -3.017 1.00 0.00 O ATOM 1071 CB THR A 72 3.266 -15.321 -0.474 1.00 0.00 C ATOM 1072 OG1 THR A 72 4.139 -15.509 0.637 1.00 0.00 O ATOM 1073 CG2 THR A 72 3.235 -16.624 -1.269 1.00 0.00 C ATOM 0 H THR A 72 4.615 -13.486 0.353 1.00 0.00 H new ATOM 0 HA THR A 72 4.233 -14.472 -2.223 1.00 0.00 H new ATOM 0 HB THR A 72 2.275 -15.073 -0.094 1.00 0.00 H new ATOM 0 HG1 THR A 72 3.839 -16.280 1.162 1.00 0.00 H new ATOM 0 HG21 THR A 72 2.962 -17.447 -0.608 1.00 0.00 H new ATOM 0 HG22 THR A 72 2.501 -16.544 -2.071 1.00 0.00 H new ATOM 0 HG23 THR A 72 4.220 -16.813 -1.696 1.00 0.00 H new ATOM 1081 N GLU A 73 1.774 -12.554 -1.121 1.00 0.00 N ATOM 1082 CA GLU A 73 0.562 -11.830 -1.482 1.00 0.00 C ATOM 1083 C GLU A 73 0.916 -10.529 -2.206 1.00 0.00 C ATOM 1084 O GLU A 73 0.168 -10.106 -3.077 1.00 0.00 O ATOM 1085 CB GLU A 73 -0.243 -11.524 -0.208 1.00 0.00 C ATOM 1086 CG GLU A 73 -1.755 -11.427 -0.450 1.00 0.00 C ATOM 1087 CD GLU A 73 -2.348 -12.826 -0.620 1.00 0.00 C ATOM 1088 OE1 GLU A 73 -2.617 -13.509 0.394 1.00 0.00 O ATOM 1089 OE2 GLU A 73 -2.483 -13.295 -1.767 1.00 0.00 O ATOM 0 H GLU A 73 2.125 -12.312 -0.194 1.00 0.00 H new ATOM 0 HA GLU A 73 -0.038 -12.444 -2.153 1.00 0.00 H new ATOM 0 HB2 GLU A 73 -0.050 -12.302 0.530 1.00 0.00 H new ATOM 0 HB3 GLU A 73 0.110 -10.585 0.219 1.00 0.00 H new ATOM 0 HG2 GLU A 73 -2.234 -10.919 0.387 1.00 0.00 H new ATOM 0 HG3 GLU A 73 -1.952 -10.829 -1.340 1.00 0.00 H new ATOM 1096 N SER A 74 2.067 -9.923 -1.893 1.00 0.00 N ATOM 1097 CA SER A 74 2.551 -8.675 -2.476 1.00 0.00 C ATOM 1098 C SER A 74 2.550 -8.704 -4.015 1.00 0.00 C ATOM 1099 O SER A 74 2.097 -7.751 -4.660 1.00 0.00 O ATOM 1100 CB SER A 74 3.925 -8.379 -1.882 1.00 0.00 C ATOM 1101 OG SER A 74 4.280 -7.038 -2.099 1.00 0.00 O ATOM 0 H SER A 74 2.709 -10.307 -1.199 1.00 0.00 H new ATOM 0 HA SER A 74 1.871 -7.862 -2.223 1.00 0.00 H new ATOM 0 HB2 SER A 74 3.918 -8.590 -0.813 1.00 0.00 H new ATOM 0 HB3 SER A 74 4.670 -9.035 -2.331 1.00 0.00 H new ATOM 0 HG SER A 74 5.232 -6.984 -2.327 1.00 0.00 H new ATOM 1107 N GLU A 75 3.016 -9.798 -4.621 1.00 0.00 N ATOM 1108 CA GLU A 75 3.035 -9.926 -6.078 1.00 0.00 C ATOM 1109 C GLU A 75 1.619 -10.131 -6.633 1.00 0.00 C ATOM 1110 O GLU A 75 1.338 -9.697 -7.750 1.00 0.00 O ATOM 1111 CB GLU A 75 3.958 -11.081 -6.496 1.00 0.00 C ATOM 1112 CG GLU A 75 5.437 -10.698 -6.350 1.00 0.00 C ATOM 1113 CD GLU A 75 6.354 -11.506 -7.264 1.00 0.00 C ATOM 1114 OE1 GLU A 75 6.463 -11.159 -8.463 1.00 0.00 O ATOM 1115 OE2 GLU A 75 7.044 -12.444 -6.792 1.00 0.00 O ATOM 0 H GLU A 75 3.385 -10.608 -4.124 1.00 0.00 H new ATOM 0 HA GLU A 75 3.424 -8.999 -6.499 1.00 0.00 H new ATOM 0 HB2 GLU A 75 3.746 -11.958 -5.884 1.00 0.00 H new ATOM 0 HB3 GLU A 75 3.753 -11.357 -7.530 1.00 0.00 H new ATOM 0 HG2 GLU A 75 5.556 -9.637 -6.571 1.00 0.00 H new ATOM 0 HG3 GLU A 75 5.744 -10.844 -5.314 1.00 0.00 H new ATOM 1122 N ARG A 76 0.721 -10.785 -5.887 1.00 0.00 N ATOM 1123 CA ARG A 76 -0.651 -11.007 -6.342 1.00 0.00 C ATOM 1124 C ARG A 76 -1.462 -9.724 -6.222 1.00 0.00 C ATOM 1125 O ARG A 76 -2.285 -9.445 -7.088 1.00 0.00 O ATOM 1126 CB ARG A 76 -1.328 -12.140 -5.561 1.00 0.00 C ATOM 1127 CG ARG A 76 -0.704 -13.505 -5.875 1.00 0.00 C ATOM 1128 CD ARG A 76 -1.639 -14.646 -5.458 1.00 0.00 C ATOM 1129 NE ARG A 76 -1.700 -14.804 -3.997 1.00 0.00 N ATOM 1130 CZ ARG A 76 -1.205 -15.810 -3.272 1.00 0.00 C ATOM 1131 NH1 ARG A 76 -0.559 -16.835 -3.823 1.00 0.00 N ATOM 1132 NH2 ARG A 76 -1.366 -15.786 -1.959 1.00 0.00 N ATOM 0 H ARG A 76 0.923 -11.169 -4.964 1.00 0.00 H new ATOM 0 HA ARG A 76 -0.609 -11.305 -7.390 1.00 0.00 H new ATOM 0 HB2 ARG A 76 -1.248 -11.942 -4.492 1.00 0.00 H new ATOM 0 HB3 ARG A 76 -2.391 -12.163 -5.803 1.00 0.00 H new ATOM 0 HG2 ARG A 76 -0.492 -13.575 -6.942 1.00 0.00 H new ATOM 0 HG3 ARG A 76 0.249 -13.602 -5.354 1.00 0.00 H new ATOM 0 HD2 ARG A 76 -2.640 -14.453 -5.844 1.00 0.00 H new ATOM 0 HD3 ARG A 76 -1.297 -15.578 -5.909 1.00 0.00 H new ATOM 0 HE ARG A 76 -2.173 -14.063 -3.480 1.00 0.00 H new ATOM 0 HH11 ARG A 76 -0.427 -16.871 -4.834 1.00 0.00 H new ATOM 0 HH12 ARG A 76 -0.195 -17.585 -3.234 1.00 0.00 H new ATOM 0 HH21 ARG A 76 -1.860 -15.009 -1.520 1.00 0.00 H new ATOM 0 HH22 ARG A 76 -0.996 -16.544 -1.386 1.00 0.00 H new ATOM 1146 N LEU A 77 -1.199 -8.902 -5.207 1.00 0.00 N ATOM 1147 CA LEU A 77 -1.878 -7.635 -4.962 1.00 0.00 C ATOM 1148 C LEU A 77 -1.735 -6.733 -6.182 1.00 0.00 C ATOM 1149 O LEU A 77 -2.696 -6.088 -6.596 1.00 0.00 O ATOM 1150 CB LEU A 77 -1.275 -6.976 -3.711 1.00 0.00 C ATOM 1151 CG LEU A 77 -1.839 -7.582 -2.414 1.00 0.00 C ATOM 1152 CD1 LEU A 77 -0.979 -7.223 -1.206 1.00 0.00 C ATOM 1153 CD2 LEU A 77 -3.256 -7.079 -2.174 1.00 0.00 C ATOM 0 H LEU A 77 -0.483 -9.109 -4.511 1.00 0.00 H new ATOM 0 HA LEU A 77 -2.941 -7.804 -4.789 1.00 0.00 H new ATOM 0 HB2 LEU A 77 -0.191 -7.094 -3.725 1.00 0.00 H new ATOM 0 HB3 LEU A 77 -1.480 -5.906 -3.730 1.00 0.00 H new ATOM 0 HG LEU A 77 -1.839 -8.665 -2.534 1.00 0.00 H new ATOM 0 HD11 LEU A 77 -1.408 -7.668 -0.309 1.00 0.00 H new ATOM 0 HD12 LEU A 77 0.032 -7.604 -1.353 1.00 0.00 H new ATOM 0 HD13 LEU A 77 -0.945 -6.139 -1.093 1.00 0.00 H new ATOM 0 HD21 LEU A 77 -3.646 -7.514 -1.254 1.00 0.00 H new ATOM 0 HD22 LEU A 77 -3.246 -5.993 -2.086 1.00 0.00 H new ATOM 0 HD23 LEU A 77 -3.892 -7.370 -3.010 1.00 0.00 H new ATOM 1165 N GLN A 78 -0.538 -6.720 -6.771 1.00 0.00 N ATOM 1166 CA GLN A 78 -0.210 -5.941 -7.957 1.00 0.00 C ATOM 1167 C GLN A 78 -1.071 -6.365 -9.160 1.00 0.00 C ATOM 1168 O GLN A 78 -1.302 -5.557 -10.064 1.00 0.00 O ATOM 1169 CB GLN A 78 1.288 -6.119 -8.219 1.00 0.00 C ATOM 1170 CG GLN A 78 2.158 -5.310 -7.255 1.00 0.00 C ATOM 1171 CD GLN A 78 3.612 -5.736 -7.409 1.00 0.00 C ATOM 1172 OE1 GLN A 78 4.232 -5.504 -8.450 1.00 0.00 O ATOM 1173 NE2 GLN A 78 4.157 -6.412 -6.411 1.00 0.00 N ATOM 0 H GLN A 78 0.249 -7.268 -6.423 1.00 0.00 H new ATOM 0 HA GLN A 78 -0.431 -4.885 -7.799 1.00 0.00 H new ATOM 0 HB2 GLN A 78 1.544 -7.175 -8.134 1.00 0.00 H new ATOM 0 HB3 GLN A 78 1.512 -5.818 -9.243 1.00 0.00 H new ATOM 0 HG2 GLN A 78 2.056 -4.245 -7.462 1.00 0.00 H new ATOM 0 HG3 GLN A 78 1.828 -5.469 -6.229 1.00 0.00 H new ATOM 0 HE21 GLN A 78 3.620 -6.589 -5.562 1.00 0.00 H new ATOM 0 HE22 GLN A 78 5.114 -6.756 -6.491 1.00 0.00 H new ATOM 1182 N ALA A 79 -1.549 -7.612 -9.179 1.00 0.00 N ATOM 1183 CA ALA A 79 -2.393 -8.153 -10.229 1.00 0.00 C ATOM 1184 C ALA A 79 -3.865 -7.898 -9.889 1.00 0.00 C ATOM 1185 O ALA A 79 -4.649 -7.623 -10.797 1.00 0.00 O ATOM 1186 CB ALA A 79 -2.111 -9.651 -10.406 1.00 0.00 C ATOM 0 H ALA A 79 -1.350 -8.286 -8.440 1.00 0.00 H new ATOM 0 HA ALA A 79 -2.170 -7.656 -11.173 1.00 0.00 H new ATOM 0 HB1 ALA A 79 -2.748 -10.050 -11.195 1.00 0.00 H new ATOM 0 HB2 ALA A 79 -1.065 -9.795 -10.676 1.00 0.00 H new ATOM 0 HB3 ALA A 79 -2.320 -10.173 -9.472 1.00 0.00 H new ATOM 1192 N GLU A 80 -4.260 -7.984 -8.613 1.00 0.00 N ATOM 1193 CA GLU A 80 -5.640 -7.754 -8.181 1.00 0.00 C ATOM 1194 C GLU A 80 -6.042 -6.302 -8.420 1.00 0.00 C ATOM 1195 O GLU A 80 -7.193 -6.029 -8.781 1.00 0.00 O ATOM 1196 CB GLU A 80 -5.837 -8.093 -6.697 1.00 0.00 C ATOM 1197 CG GLU A 80 -5.921 -9.597 -6.421 1.00 0.00 C ATOM 1198 CD GLU A 80 -6.721 -9.859 -5.142 1.00 0.00 C ATOM 1199 OE1 GLU A 80 -6.159 -9.749 -4.030 1.00 0.00 O ATOM 1200 OE2 GLU A 80 -7.937 -10.145 -5.258 1.00 0.00 O ATOM 0 H GLU A 80 -3.626 -8.217 -7.848 1.00 0.00 H new ATOM 0 HA GLU A 80 -6.273 -8.414 -8.774 1.00 0.00 H new ATOM 0 HB2 GLU A 80 -5.011 -7.672 -6.123 1.00 0.00 H new ATOM 0 HB3 GLU A 80 -6.749 -7.615 -6.341 1.00 0.00 H new ATOM 0 HG2 GLU A 80 -6.393 -10.102 -7.263 1.00 0.00 H new ATOM 0 HG3 GLU A 80 -4.918 -10.012 -6.322 1.00 0.00 H new ATOM 1207 N TRP A 81 -5.113 -5.366 -8.199 1.00 0.00 N ATOM 1208 CA TRP A 81 -5.366 -3.951 -8.408 1.00 0.00 C ATOM 1209 C TRP A 81 -5.652 -3.767 -9.900 1.00 0.00 C ATOM 1210 O TRP A 81 -4.915 -4.292 -10.741 1.00 0.00 O ATOM 1211 CB TRP A 81 -4.190 -3.108 -7.884 1.00 0.00 C ATOM 1212 CG TRP A 81 -4.609 -1.778 -7.329 1.00 0.00 C ATOM 1213 CD1 TRP A 81 -4.252 -0.548 -7.768 1.00 0.00 C ATOM 1214 CD2 TRP A 81 -5.496 -1.548 -6.199 1.00 0.00 C ATOM 1215 NE1 TRP A 81 -4.907 0.420 -7.027 1.00 0.00 N ATOM 1216 CE2 TRP A 81 -5.694 -0.147 -6.041 1.00 0.00 C ATOM 1217 CE3 TRP A 81 -6.160 -2.404 -5.298 1.00 0.00 C ATOM 1218 CZ2 TRP A 81 -6.533 0.365 -5.037 1.00 0.00 C ATOM 1219 CZ3 TRP A 81 -7.004 -1.896 -4.296 1.00 0.00 C ATOM 1220 CH2 TRP A 81 -7.186 -0.512 -4.156 1.00 0.00 C ATOM 0 H TRP A 81 -4.170 -5.575 -7.871 1.00 0.00 H new ATOM 0 HA TRP A 81 -6.230 -3.599 -7.844 1.00 0.00 H new ATOM 0 HB2 TRP A 81 -3.668 -3.669 -7.108 1.00 0.00 H new ATOM 0 HB3 TRP A 81 -3.479 -2.947 -8.694 1.00 0.00 H new ATOM 0 HD1 TRP A 81 -3.561 -0.352 -8.574 1.00 0.00 H new ATOM 0 HE1 TRP A 81 -4.820 1.424 -7.187 1.00 0.00 H new ATOM 0 HE3 TRP A 81 -6.017 -3.471 -5.379 1.00 0.00 H new ATOM 0 HZ2 TRP A 81 -6.675 1.431 -4.943 1.00 0.00 H new ATOM 0 HZ3 TRP A 81 -7.516 -2.575 -3.630 1.00 0.00 H new ATOM 0 HH2 TRP A 81 -7.824 -0.124 -3.376 1.00 0.00 H new ATOM 1231 N HIS A 82 -6.741 -3.082 -10.237 1.00 0.00 N ATOM 1232 CA HIS A 82 -7.213 -2.804 -11.593 1.00 0.00 C ATOM 1233 C HIS A 82 -7.705 -1.353 -11.589 1.00 0.00 C ATOM 1234 O HIS A 82 -8.043 -0.849 -10.512 1.00 0.00 O ATOM 1235 CB HIS A 82 -8.347 -3.783 -11.968 1.00 0.00 C ATOM 1236 CG HIS A 82 -7.907 -5.127 -12.504 1.00 0.00 C ATOM 1237 ND1 HIS A 82 -6.761 -5.822 -12.182 1.00 0.00 N ATOM 1238 CD2 HIS A 82 -8.558 -5.848 -13.469 1.00 0.00 C ATOM 1239 CE1 HIS A 82 -6.701 -6.919 -12.947 1.00 0.00 C ATOM 1240 NE2 HIS A 82 -7.767 -6.970 -13.761 1.00 0.00 N ATOM 0 H HIS A 82 -7.356 -2.681 -9.529 1.00 0.00 H new ATOM 0 HA HIS A 82 -6.424 -2.937 -12.333 1.00 0.00 H new ATOM 0 HB2 HIS A 82 -8.964 -3.950 -11.085 1.00 0.00 H new ATOM 0 HB3 HIS A 82 -8.981 -3.305 -12.715 1.00 0.00 H new ATOM 0 HD1 HIS A 82 -6.075 -5.547 -11.479 1.00 0.00 H new ATOM 0 HD2 HIS A 82 -9.506 -5.599 -13.922 1.00 0.00 H new ATOM 0 HE1 HIS A 82 -5.911 -7.655 -12.914 1.00 0.00 H new ATOM 1248 N ASP A 83 -7.794 -0.733 -12.777 1.00 0.00 N ATOM 1249 CA ASP A 83 -8.189 0.657 -13.057 1.00 0.00 C ATOM 1250 C ASP A 83 -8.964 1.317 -11.926 1.00 0.00 C ATOM 1251 O ASP A 83 -10.146 1.026 -11.726 1.00 0.00 O ATOM 1252 CB ASP A 83 -8.920 0.847 -14.397 1.00 0.00 C ATOM 1253 CG ASP A 83 -9.256 2.336 -14.577 1.00 0.00 C ATOM 1254 OD1 ASP A 83 -8.303 3.121 -14.791 1.00 0.00 O ATOM 1255 OD2 ASP A 83 -10.426 2.764 -14.439 1.00 0.00 O ATOM 0 H ASP A 83 -7.573 -1.233 -13.638 1.00 0.00 H new ATOM 0 HA ASP A 83 -7.233 1.174 -13.140 1.00 0.00 H new ATOM 0 HB2 ASP A 83 -8.295 0.500 -15.220 1.00 0.00 H new ATOM 0 HB3 ASP A 83 -9.832 0.250 -14.416 1.00 0.00 H new ATOM 1260 N SER A 84 -8.260 2.137 -11.155 1.00 0.00 N ATOM 1261 CA SER A 84 -8.729 2.900 -10.021 1.00 0.00 C ATOM 1262 C SER A 84 -7.877 4.168 -9.964 1.00 0.00 C ATOM 1263 O SER A 84 -6.808 4.218 -10.581 1.00 0.00 O ATOM 1264 CB SER A 84 -8.582 2.055 -8.756 1.00 0.00 C ATOM 1265 OG SER A 84 -9.380 2.568 -7.712 1.00 0.00 O ATOM 0 H SER A 84 -7.267 2.293 -11.327 1.00 0.00 H new ATOM 0 HA SER A 84 -9.781 3.171 -10.107 1.00 0.00 H new ATOM 0 HB2 SER A 84 -8.870 1.025 -8.967 1.00 0.00 H new ATOM 0 HB3 SER A 84 -7.537 2.037 -8.445 1.00 0.00 H new ATOM 0 HG SER A 84 -9.271 2.011 -6.913 1.00 0.00 H new ATOM 1271 N ASP A 85 -8.352 5.187 -9.251 1.00 0.00 N ATOM 1272 CA ASP A 85 -7.653 6.461 -9.092 1.00 0.00 C ATOM 1273 C ASP A 85 -6.422 6.308 -8.193 1.00 0.00 C ATOM 1274 O ASP A 85 -5.451 7.045 -8.360 1.00 0.00 O ATOM 1275 CB ASP A 85 -8.611 7.542 -8.551 1.00 0.00 C ATOM 1276 CG ASP A 85 -9.178 7.252 -7.160 1.00 0.00 C ATOM 1277 OD1 ASP A 85 -9.976 6.289 -7.049 1.00 0.00 O ATOM 1278 OD2 ASP A 85 -8.883 7.987 -6.196 1.00 0.00 O ATOM 0 H ASP A 85 -9.246 5.151 -8.761 1.00 0.00 H new ATOM 0 HA ASP A 85 -7.303 6.781 -10.073 1.00 0.00 H new ATOM 0 HB2 ASP A 85 -8.083 8.495 -8.522 1.00 0.00 H new ATOM 0 HB3 ASP A 85 -9.439 7.657 -9.250 1.00 0.00 H new ATOM 1283 N TRP A 86 -6.431 5.336 -7.275 1.00 0.00 N ATOM 1284 CA TRP A 86 -5.324 5.082 -6.361 1.00 0.00 C ATOM 1285 C TRP A 86 -4.170 4.356 -7.072 1.00 0.00 C ATOM 1286 O TRP A 86 -4.360 3.568 -8.008 1.00 0.00 O ATOM 1287 CB TRP A 86 -5.803 4.234 -5.179 1.00 0.00 C ATOM 1288 CG TRP A 86 -6.842 4.809 -4.256 1.00 0.00 C ATOM 1289 CD1 TRP A 86 -8.132 5.052 -4.576 1.00 0.00 C ATOM 1290 CD2 TRP A 86 -6.732 5.140 -2.833 1.00 0.00 C ATOM 1291 NE1 TRP A 86 -8.815 5.513 -3.472 1.00 0.00 N ATOM 1292 CE2 TRP A 86 -8.021 5.515 -2.348 1.00 0.00 C ATOM 1293 CE3 TRP A 86 -5.675 5.169 -1.899 1.00 0.00 C ATOM 1294 CZ2 TRP A 86 -8.260 5.821 -0.997 1.00 0.00 C ATOM 1295 CZ3 TRP A 86 -5.897 5.468 -0.543 1.00 0.00 C ATOM 1296 CH2 TRP A 86 -7.191 5.773 -0.086 1.00 0.00 C ATOM 0 H TRP A 86 -7.218 4.699 -7.148 1.00 0.00 H new ATOM 0 HA TRP A 86 -4.960 6.045 -6.002 1.00 0.00 H new ATOM 0 HB2 TRP A 86 -6.196 3.300 -5.580 1.00 0.00 H new ATOM 0 HB3 TRP A 86 -4.930 3.980 -4.578 1.00 0.00 H new ATOM 0 HD1 TRP A 86 -8.565 4.906 -5.555 1.00 0.00 H new ATOM 0 HE1 TRP A 86 -9.789 5.816 -3.486 1.00 0.00 H new ATOM 0 HE3 TRP A 86 -4.670 4.956 -2.234 1.00 0.00 H new ATOM 0 HZ2 TRP A 86 -9.252 6.089 -0.664 1.00 0.00 H new ATOM 0 HZ3 TRP A 86 -5.069 5.463 0.151 1.00 0.00 H new ATOM 0 HH2 TRP A 86 -7.363 5.970 0.962 1.00 0.00 H new ATOM 1307 N ILE A 87 -2.967 4.544 -6.542 1.00 0.00 N ATOM 1308 CA ILE A 87 -1.705 4.005 -7.000 1.00 0.00 C ATOM 1309 C ILE A 87 -1.192 3.056 -5.921 1.00 0.00 C ATOM 1310 O ILE A 87 -1.319 3.331 -4.728 1.00 0.00 O ATOM 1311 CB ILE A 87 -0.727 5.162 -7.318 1.00 0.00 C ATOM 1312 CG1 ILE A 87 -1.341 6.247 -8.241 1.00 0.00 C ATOM 1313 CG2 ILE A 87 0.534 4.607 -8.006 1.00 0.00 C ATOM 1314 CD1 ILE A 87 -2.118 7.358 -7.523 1.00 0.00 C ATOM 0 H ILE A 87 -2.846 5.126 -5.713 1.00 0.00 H new ATOM 0 HA ILE A 87 -1.813 3.441 -7.927 1.00 0.00 H new ATOM 0 HB ILE A 87 -0.488 5.629 -6.362 1.00 0.00 H new ATOM 0 HG12 ILE A 87 -0.539 6.704 -8.820 1.00 0.00 H new ATOM 0 HG13 ILE A 87 -2.009 5.760 -8.951 1.00 0.00 H new ATOM 0 HG21 ILE A 87 1.218 5.426 -8.227 1.00 0.00 H new ATOM 0 HG22 ILE A 87 1.025 3.893 -7.345 1.00 0.00 H new ATOM 0 HG23 ILE A 87 0.253 4.109 -8.934 1.00 0.00 H new ATOM 0 HD11 ILE A 87 -2.506 8.064 -8.257 1.00 0.00 H new ATOM 0 HD12 ILE A 87 -2.947 6.921 -6.967 1.00 0.00 H new ATOM 0 HD13 ILE A 87 -1.454 7.879 -6.834 1.00 0.00 H new ATOM 1326 N LEU A 88 -0.638 1.924 -6.345 1.00 0.00 N ATOM 1327 CA LEU A 88 -0.095 0.882 -5.489 1.00 0.00 C ATOM 1328 C LEU A 88 1.427 0.954 -5.580 1.00 0.00 C ATOM 1329 O LEU A 88 1.973 0.909 -6.690 1.00 0.00 O ATOM 1330 CB LEU A 88 -0.667 -0.459 -5.986 1.00 0.00 C ATOM 1331 CG LEU A 88 -0.225 -1.688 -5.179 1.00 0.00 C ATOM 1332 CD1 LEU A 88 -0.711 -1.617 -3.732 1.00 0.00 C ATOM 1333 CD2 LEU A 88 -0.794 -2.955 -5.819 1.00 0.00 C ATOM 0 H LEU A 88 -0.553 1.701 -7.337 1.00 0.00 H new ATOM 0 HA LEU A 88 -0.367 0.997 -4.440 1.00 0.00 H new ATOM 0 HB2 LEU A 88 -1.755 -0.402 -5.968 1.00 0.00 H new ATOM 0 HB3 LEU A 88 -0.373 -0.600 -7.026 1.00 0.00 H new ATOM 0 HG LEU A 88 0.865 -1.709 -5.182 1.00 0.00 H new ATOM 0 HD11 LEU A 88 -0.379 -2.504 -3.193 1.00 0.00 H new ATOM 0 HD12 LEU A 88 -0.302 -0.727 -3.254 1.00 0.00 H new ATOM 0 HD13 LEU A 88 -1.800 -1.569 -3.716 1.00 0.00 H new ATOM 0 HD21 LEU A 88 -0.479 -3.826 -5.244 1.00 0.00 H new ATOM 0 HD22 LEU A 88 -1.883 -2.901 -5.828 1.00 0.00 H new ATOM 0 HD23 LEU A 88 -0.427 -3.043 -6.841 1.00 0.00 H new ATOM 1345 N SER A 89 2.117 1.050 -4.443 1.00 0.00 N ATOM 1346 CA SER A 89 3.579 1.130 -4.354 1.00 0.00 C ATOM 1347 C SER A 89 4.082 0.123 -3.309 1.00 0.00 C ATOM 1348 O SER A 89 3.381 -0.130 -2.331 1.00 0.00 O ATOM 1349 CB SER A 89 4.003 2.561 -3.997 1.00 0.00 C ATOM 1350 OG SER A 89 3.270 3.530 -4.730 1.00 0.00 O ATOM 0 H SER A 89 1.662 1.075 -3.530 1.00 0.00 H new ATOM 0 HA SER A 89 4.023 0.879 -5.317 1.00 0.00 H new ATOM 0 HB2 SER A 89 3.857 2.727 -2.930 1.00 0.00 H new ATOM 0 HB3 SER A 89 5.068 2.684 -4.196 1.00 0.00 H new ATOM 0 HG SER A 89 3.567 4.428 -4.474 1.00 0.00 H new ATOM 1356 N VAL A 90 5.300 -0.410 -3.486 1.00 0.00 N ATOM 1357 CA VAL A 90 5.908 -1.389 -2.586 1.00 0.00 C ATOM 1358 C VAL A 90 7.322 -0.923 -2.159 1.00 0.00 C ATOM 1359 O VAL A 90 8.346 -1.330 -2.718 1.00 0.00 O ATOM 1360 CB VAL A 90 5.811 -2.777 -3.273 1.00 0.00 C ATOM 1361 CG1 VAL A 90 6.485 -2.904 -4.655 1.00 0.00 C ATOM 1362 CG2 VAL A 90 6.273 -3.915 -2.362 1.00 0.00 C ATOM 0 H VAL A 90 5.898 -0.165 -4.275 1.00 0.00 H new ATOM 0 HA VAL A 90 5.381 -1.481 -1.637 1.00 0.00 H new ATOM 0 HB VAL A 90 4.742 -2.868 -3.463 1.00 0.00 H new ATOM 0 HG11 VAL A 90 6.351 -3.917 -5.034 1.00 0.00 H new ATOM 0 HG12 VAL A 90 6.032 -2.195 -5.347 1.00 0.00 H new ATOM 0 HG13 VAL A 90 7.550 -2.690 -4.562 1.00 0.00 H new ATOM 0 HG21 VAL A 90 6.185 -4.864 -2.891 1.00 0.00 H new ATOM 0 HG22 VAL A 90 7.313 -3.754 -2.077 1.00 0.00 H new ATOM 0 HG23 VAL A 90 5.651 -3.940 -1.467 1.00 0.00 H new ATOM 1372 N PRO A 91 7.416 -0.073 -1.117 1.00 0.00 N ATOM 1373 CA PRO A 91 8.689 0.422 -0.610 1.00 0.00 C ATOM 1374 C PRO A 91 9.401 -0.625 0.256 1.00 0.00 C ATOM 1375 O PRO A 91 8.939 -1.758 0.418 1.00 0.00 O ATOM 1376 CB PRO A 91 8.340 1.689 0.173 1.00 0.00 C ATOM 1377 CG PRO A 91 6.920 1.445 0.664 1.00 0.00 C ATOM 1378 CD PRO A 91 6.306 0.512 -0.381 1.00 0.00 C ATOM 0 HA PRO A 91 9.393 0.636 -1.414 1.00 0.00 H new ATOM 0 HB2 PRO A 91 9.027 1.846 1.004 1.00 0.00 H new ATOM 0 HB3 PRO A 91 8.396 2.576 -0.458 1.00 0.00 H new ATOM 0 HG2 PRO A 91 6.916 0.989 1.654 1.00 0.00 H new ATOM 0 HG3 PRO A 91 6.361 2.378 0.740 1.00 0.00 H new ATOM 0 HD2 PRO A 91 5.706 -0.263 0.096 1.00 0.00 H new ATOM 0 HD3 PRO A 91 5.644 1.062 -1.050 1.00 0.00 H new ATOM 1386 N ALA A 92 10.494 -0.187 0.890 1.00 0.00 N ATOM 1387 CA ALA A 92 11.367 -0.960 1.762 1.00 0.00 C ATOM 1388 C ALA A 92 12.043 -2.080 0.982 1.00 0.00 C ATOM 1389 O ALA A 92 12.761 -2.878 1.620 1.00 0.00 O ATOM 1390 CB ALA A 92 10.610 -1.455 3.005 1.00 0.00 C ATOM 0 H ALA A 92 10.807 0.779 0.798 1.00 0.00 H new ATOM 0 HA ALA A 92 12.163 -0.314 2.133 1.00 0.00 H new ATOM 0 HB1 ALA A 92 11.286 -2.029 3.638 1.00 0.00 H new ATOM 0 HB2 ALA A 92 10.229 -0.600 3.563 1.00 0.00 H new ATOM 0 HB3 ALA A 92 9.778 -2.087 2.696 1.00 0.00 H new TER 1396 ALA A 92