USER MOD reduce.3.24.130724 H: found=0, std=0, add=561, rem=0, adj=16 USER MOD reduce.3.24.130724 removed 561 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 NoAdj : A 24 ASNHD21 : A 24 ASN OD1 : A 76 CACA :(metal ligand) USER MOD NoAdj : A 24 ASNHD22 : A 24 ASN OD1 : A 76 CACA :(metal ligand) USER MOD Single : A 1 SER N :NH3+ -131:sc= 0.172 (180deg=0) USER MOD Single : A 1 SER OG : rot 180:sc= 0.0943 USER MOD Single : A 3 MET CE :methyl -162:sc= -0.126 (180deg=-0.66) USER MOD Single : A 4 LYS NZ :NH3+ 172:sc= -1.27! (180deg=-1.48!) USER MOD Single : A 6 THR OG1 : rot 161:sc= 0.968 USER MOD Single : A 8 SER OG : rot 180:sc= 0 USER MOD Single : A 21 LYS NZ :NH3+ -176:sc= -0.0292 (180deg=-0.0707) USER MOD Single : A 26 TYR OH : rot 180:sc= 0 USER MOD Single : A 28 SER OG : rot 180:sc= 0.00353 USER MOD Single : A 34 HIS : no HD1:sc= 0 X(o=0,f=0) USER MOD Single : A 36 MET CE :methyl 178:sc= 0 (180deg=-0.00773) USER MOD Single : A 37 THR OG1 : rot 83:sc= 0.776 USER MOD Single : A 38 ASN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 42 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 44 THR OG1 : rot 180:sc= 0.0165 USER MOD Single : A 51 MET CE :methyl -168:sc= -0.039 (180deg=-0.271) USER MOD Single : A 62 GLN : amide:sc= 0 K(o=0,f=-1.5!) USER MOD Single : A 64 ASN : amide:sc= -0.698 K(o=-0.7,f=-1.7!) USER MOD Single : A 65 TYR OH : rot 180:sc= 0 USER MOD Single : A 70 GLN : amide:sc= -0.152 X(o=-0.15,f=-0.58) USER MOD Single : A 71 HIS : no HD1:sc= -3.03! C(o=-3!,f=-4.9!) USER MOD Single : A 72 MET CE :methyl -159:sc= -0.062 (180deg=-0.454) USER MOD Single : A 73 THR OG1 : rot -75:sc= 0.928 USER MOD Single : A 75 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD ----------------------------------------------------------------- ATOM 1 N SER A 1 1.652 13.117 9.544 1.00 0.00 N ATOM 2 CA SER A 1 0.872 13.700 10.654 1.00 0.00 C ATOM 3 C SER A 1 0.154 14.965 10.157 1.00 0.00 C ATOM 4 O SER A 1 0.197 15.273 8.964 1.00 0.00 O ATOM 5 CB SER A 1 1.818 13.999 11.833 1.00 0.00 C ATOM 6 OG SER A 1 1.115 14.358 13.012 1.00 0.00 O ATOM 0 H1 SER A 1 1.451 12.099 9.475 1.00 0.00 H new ATOM 0 H2 SER A 1 1.389 13.583 8.652 1.00 0.00 H new ATOM 0 H3 SER A 1 2.667 13.258 9.721 1.00 0.00 H new ATOM 0 HA SER A 1 0.113 13.000 11.003 1.00 0.00 H new ATOM 0 HB2 SER A 1 2.434 13.122 12.033 1.00 0.00 H new ATOM 0 HB3 SER A 1 2.495 14.807 11.556 1.00 0.00 H new ATOM 0 HG SER A 1 1.755 14.537 13.733 1.00 0.00 H new ATOM 14 N LEU A 2 -0.514 15.673 11.073 1.00 0.00 N ATOM 15 CA LEU A 2 -1.279 16.879 10.746 1.00 0.00 C ATOM 16 C LEU A 2 -0.394 18.124 10.719 1.00 0.00 C ATOM 17 O LEU A 2 -0.779 19.149 10.157 1.00 0.00 O ATOM 18 CB LEU A 2 -2.405 17.082 11.766 1.00 0.00 C ATOM 19 CG LEU A 2 -3.443 15.957 11.848 1.00 0.00 C ATOM 20 CD1 LEU A 2 -4.409 16.220 12.984 1.00 0.00 C ATOM 21 CD2 LEU A 2 -4.201 15.819 10.533 1.00 0.00 C ATOM 0 H LEU A 2 -0.539 15.426 12.062 1.00 0.00 H new ATOM 0 HA LEU A 2 -1.698 16.737 9.750 1.00 0.00 H new ATOM 0 HB2 LEU A 2 -1.958 17.210 12.752 1.00 0.00 H new ATOM 0 HB3 LEU A 2 -2.922 18.011 11.527 1.00 0.00 H new ATOM 0 HG LEU A 2 -2.918 15.021 12.038 1.00 0.00 H new ATOM 0 HD11 LEU A 2 -5.142 15.414 13.032 1.00 0.00 H new ATOM 0 HD12 LEU A 2 -3.860 16.268 13.924 1.00 0.00 H new ATOM 0 HD13 LEU A 2 -4.922 17.167 12.814 1.00 0.00 H new ATOM 0 HD21 LEU A 2 -4.931 15.014 10.617 1.00 0.00 H new ATOM 0 HD22 LEU A 2 -4.715 16.754 10.309 1.00 0.00 H new ATOM 0 HD23 LEU A 2 -3.499 15.590 9.731 1.00 0.00 H new ATOM 33 N MET A 3 0.786 18.040 11.333 1.00 0.00 N ATOM 34 CA MET A 3 1.743 19.139 11.295 1.00 0.00 C ATOM 35 C MET A 3 2.792 18.902 10.221 1.00 0.00 C ATOM 36 O MET A 3 3.660 18.036 10.357 1.00 0.00 O ATOM 37 CB MET A 3 2.407 19.340 12.659 1.00 0.00 C ATOM 38 CG MET A 3 1.514 20.039 13.667 1.00 0.00 C ATOM 39 SD MET A 3 1.074 21.716 13.160 1.00 0.00 S ATOM 40 CE MET A 3 2.688 22.491 13.086 1.00 0.00 C ATOM 0 H MET A 3 1.099 17.225 11.860 1.00 0.00 H new ATOM 0 HA MET A 3 1.196 20.049 11.049 1.00 0.00 H new ATOM 0 HB2 MET A 3 2.702 18.369 13.058 1.00 0.00 H new ATOM 0 HB3 MET A 3 3.320 19.922 12.528 1.00 0.00 H new ATOM 0 HG2 MET A 3 0.604 19.455 13.807 1.00 0.00 H new ATOM 0 HG3 MET A 3 2.021 20.076 14.631 1.00 0.00 H new ATOM 0 HE1 MET A 3 2.572 23.575 13.104 1.00 0.00 H new ATOM 0 HE2 MET A 3 3.283 22.175 13.943 1.00 0.00 H new ATOM 0 HE3 MET A 3 3.192 22.195 12.166 1.00 0.00 H new ATOM 50 N LYS A 4 2.676 19.669 9.145 1.00 0.00 N ATOM 51 CA LYS A 4 3.555 19.542 7.988 1.00 0.00 C ATOM 52 C LYS A 4 3.603 20.845 7.202 1.00 0.00 C ATOM 53 O LYS A 4 2.829 21.772 7.459 1.00 0.00 O ATOM 54 CB LYS A 4 3.094 18.423 7.027 1.00 0.00 C ATOM 55 CG LYS A 4 1.713 18.648 6.411 1.00 0.00 C ATOM 56 CD LYS A 4 0.578 18.112 7.258 1.00 0.00 C ATOM 57 CE LYS A 4 -0.780 18.469 6.675 1.00 0.00 C ATOM 58 NZ LYS A 4 -1.061 17.772 5.388 1.00 0.00 N ATOM 0 H LYS A 4 1.969 20.398 9.049 1.00 0.00 H new ATOM 0 HA LYS A 4 4.542 19.294 8.379 1.00 0.00 H new ATOM 0 HB2 LYS A 4 3.825 18.326 6.224 1.00 0.00 H new ATOM 0 HB3 LYS A 4 3.087 17.477 7.568 1.00 0.00 H new ATOM 0 HG2 LYS A 4 1.564 19.716 6.253 1.00 0.00 H new ATOM 0 HG3 LYS A 4 1.680 18.173 5.431 1.00 0.00 H new ATOM 0 HD2 LYS A 4 0.665 17.029 7.339 1.00 0.00 H new ATOM 0 HD3 LYS A 4 0.657 18.514 8.268 1.00 0.00 H new ATOM 0 HE2 LYS A 4 -1.557 18.216 7.396 1.00 0.00 H new ATOM 0 HE3 LYS A 4 -0.830 19.546 6.517 1.00 0.00 H new ATOM 0 HZ1 LYS A 4 -2.047 17.946 5.107 1.00 0.00 H new ATOM 0 HZ2 LYS A 4 -0.422 18.133 4.651 1.00 0.00 H new ATOM 0 HZ3 LYS A 4 -0.910 16.750 5.507 1.00 0.00 H new ATOM 72 N ASP A 5 4.523 20.902 6.254 1.00 0.00 N ATOM 73 CA ASP A 5 4.492 21.918 5.218 1.00 0.00 C ATOM 74 C ASP A 5 3.807 21.325 3.989 1.00 0.00 C ATOM 75 O ASP A 5 3.020 21.989 3.313 1.00 0.00 O ATOM 76 CB ASP A 5 5.913 22.387 4.877 1.00 0.00 C ATOM 77 CG ASP A 5 5.930 23.554 3.912 1.00 0.00 C ATOM 78 OD1 ASP A 5 5.560 24.674 4.327 1.00 0.00 O ATOM 79 OD2 ASP A 5 6.314 23.366 2.743 1.00 0.00 O ATOM 0 H ASP A 5 5.305 20.251 6.181 1.00 0.00 H new ATOM 0 HA ASP A 5 3.937 22.789 5.567 1.00 0.00 H new ATOM 0 HB2 ASP A 5 6.426 22.673 5.795 1.00 0.00 H new ATOM 0 HB3 ASP A 5 6.471 21.556 4.445 1.00 0.00 H new ATOM 84 N THR A 6 4.081 20.045 3.750 1.00 0.00 N ATOM 85 CA THR A 6 3.607 19.346 2.568 1.00 0.00 C ATOM 86 C THR A 6 2.426 18.402 2.894 1.00 0.00 C ATOM 87 O THR A 6 1.341 18.882 3.237 1.00 0.00 O ATOM 88 CB THR A 6 4.776 18.580 1.903 1.00 0.00 C ATOM 89 OG1 THR A 6 5.442 17.753 2.870 1.00 0.00 O ATOM 90 CG2 THR A 6 5.787 19.541 1.318 1.00 0.00 C ATOM 0 H THR A 6 4.640 19.465 4.376 1.00 0.00 H new ATOM 0 HA THR A 6 3.230 20.086 1.862 1.00 0.00 H new ATOM 0 HB THR A 6 4.357 17.964 1.107 1.00 0.00 H new ATOM 0 HG1 THR A 6 5.961 17.062 2.408 1.00 0.00 H new ATOM 0 HG21 THR A 6 6.599 18.979 0.856 1.00 0.00 H new ATOM 0 HG22 THR A 6 5.304 20.164 0.566 1.00 0.00 H new ATOM 0 HG23 THR A 6 6.188 20.174 2.110 1.00 0.00 H new ATOM 98 N ASP A 7 2.663 17.070 2.780 1.00 0.00 N ATOM 99 CA ASP A 7 1.667 15.991 2.999 1.00 0.00 C ATOM 100 C ASP A 7 0.370 16.228 2.182 1.00 0.00 C ATOM 101 O ASP A 7 -0.744 15.896 2.587 1.00 0.00 O ATOM 102 CB ASP A 7 1.428 15.814 4.513 1.00 0.00 C ATOM 103 CG ASP A 7 0.640 14.581 4.907 1.00 0.00 C ATOM 104 OD1 ASP A 7 1.166 13.463 4.770 1.00 0.00 O ATOM 105 OD2 ASP A 7 -0.507 14.742 5.375 1.00 0.00 O ATOM 0 H ASP A 7 3.581 16.707 2.525 1.00 0.00 H new ATOM 0 HA ASP A 7 2.062 15.048 2.621 1.00 0.00 H new ATOM 0 HB2 ASP A 7 2.395 15.782 5.015 1.00 0.00 H new ATOM 0 HB3 ASP A 7 0.904 16.694 4.886 1.00 0.00 H new ATOM 110 N SER A 8 0.546 16.816 1.003 1.00 0.00 N ATOM 111 CA SER A 8 -0.521 16.949 0.032 1.00 0.00 C ATOM 112 C SER A 8 -0.352 15.836 -0.989 1.00 0.00 C ATOM 113 O SER A 8 0.487 14.962 -0.787 1.00 0.00 O ATOM 114 CB SER A 8 -0.458 18.325 -0.625 1.00 0.00 C ATOM 115 OG SER A 8 0.785 18.532 -1.257 1.00 0.00 O ATOM 0 H SER A 8 1.435 17.212 0.699 1.00 0.00 H new ATOM 0 HA SER A 8 -1.498 16.864 0.507 1.00 0.00 H new ATOM 0 HB2 SER A 8 -1.261 18.419 -1.356 1.00 0.00 H new ATOM 0 HB3 SER A 8 -0.620 19.098 0.127 1.00 0.00 H new ATOM 0 HG SER A 8 0.798 19.420 -1.671 1.00 0.00 H new ATOM 121 N GLU A 9 -1.091 15.897 -2.099 1.00 0.00 N ATOM 122 CA GLU A 9 -1.140 14.809 -3.088 1.00 0.00 C ATOM 123 C GLU A 9 0.217 14.544 -3.768 1.00 0.00 C ATOM 124 O GLU A 9 0.496 13.414 -4.171 1.00 0.00 O ATOM 125 CB GLU A 9 -2.202 15.118 -4.144 1.00 0.00 C ATOM 126 CG GLU A 9 -3.583 15.363 -3.557 1.00 0.00 C ATOM 127 CD GLU A 9 -4.656 15.476 -4.614 1.00 0.00 C ATOM 128 OE1 GLU A 9 -5.168 14.430 -5.048 1.00 0.00 O ATOM 129 OE2 GLU A 9 -4.980 16.604 -5.029 1.00 0.00 O ATOM 0 H GLU A 9 -1.673 16.699 -2.341 1.00 0.00 H new ATOM 0 HA GLU A 9 -1.399 13.900 -2.545 1.00 0.00 H new ATOM 0 HB2 GLU A 9 -1.895 15.997 -4.711 1.00 0.00 H new ATOM 0 HB3 GLU A 9 -2.256 14.288 -4.848 1.00 0.00 H new ATOM 0 HG2 GLU A 9 -3.833 14.549 -2.877 1.00 0.00 H new ATOM 0 HG3 GLU A 9 -3.564 16.278 -2.965 1.00 0.00 H new ATOM 136 N GLU A 10 1.059 15.578 -3.865 1.00 0.00 N ATOM 137 CA GLU A 10 2.393 15.440 -4.452 1.00 0.00 C ATOM 138 C GLU A 10 3.407 14.827 -3.471 1.00 0.00 C ATOM 139 O GLU A 10 4.379 14.199 -3.895 1.00 0.00 O ATOM 140 CB GLU A 10 2.889 16.788 -4.954 1.00 0.00 C ATOM 141 CG GLU A 10 2.018 17.374 -6.056 1.00 0.00 C ATOM 142 CD GLU A 10 2.681 18.514 -6.784 1.00 0.00 C ATOM 143 OE1 GLU A 10 2.709 19.635 -6.245 1.00 0.00 O ATOM 144 OE2 GLU A 10 3.198 18.284 -7.896 1.00 0.00 O ATOM 0 H GLU A 10 0.838 16.521 -3.544 1.00 0.00 H new ATOM 0 HA GLU A 10 2.305 14.751 -5.292 1.00 0.00 H new ATOM 0 HB2 GLU A 10 2.927 17.488 -4.119 1.00 0.00 H new ATOM 0 HB3 GLU A 10 3.908 16.678 -5.325 1.00 0.00 H new ATOM 0 HG2 GLU A 10 1.768 16.590 -6.770 1.00 0.00 H new ATOM 0 HG3 GLU A 10 1.080 17.722 -5.624 1.00 0.00 H new ATOM 151 N GLU A 11 3.169 14.994 -2.169 1.00 0.00 N ATOM 152 CA GLU A 11 3.994 14.355 -1.139 1.00 0.00 C ATOM 153 C GLU A 11 3.546 12.897 -0.940 1.00 0.00 C ATOM 154 O GLU A 11 4.314 12.050 -0.477 1.00 0.00 O ATOM 155 CB GLU A 11 3.904 15.133 0.181 1.00 0.00 C ATOM 156 CG GLU A 11 4.860 14.660 1.276 1.00 0.00 C ATOM 157 CD GLU A 11 6.320 14.848 0.912 1.00 0.00 C ATOM 158 OE1 GLU A 11 6.908 13.939 0.308 1.00 0.00 O ATOM 159 OE2 GLU A 11 6.888 15.904 1.242 1.00 0.00 O ATOM 0 H GLU A 11 2.410 15.568 -1.801 1.00 0.00 H new ATOM 0 HA GLU A 11 5.034 14.361 -1.466 1.00 0.00 H new ATOM 0 HB2 GLU A 11 4.100 16.186 -0.021 1.00 0.00 H new ATOM 0 HB3 GLU A 11 2.883 15.065 0.557 1.00 0.00 H new ATOM 0 HG2 GLU A 11 4.648 15.205 2.196 1.00 0.00 H new ATOM 0 HG3 GLU A 11 4.675 13.605 1.481 1.00 0.00 H new ATOM 166 N ILE A 12 2.292 12.617 -1.321 1.00 0.00 N ATOM 167 CA ILE A 12 1.746 11.259 -1.324 1.00 0.00 C ATOM 168 C ILE A 12 2.485 10.387 -2.359 1.00 0.00 C ATOM 169 O ILE A 12 2.620 9.188 -2.164 1.00 0.00 O ATOM 170 CB ILE A 12 0.208 11.254 -1.612 1.00 0.00 C ATOM 171 CG1 ILE A 12 -0.572 12.092 -0.585 1.00 0.00 C ATOM 172 CG2 ILE A 12 -0.359 9.850 -1.639 1.00 0.00 C ATOM 173 CD1 ILE A 12 -0.386 11.681 0.863 1.00 0.00 C ATOM 0 H ILE A 12 1.631 13.327 -1.635 1.00 0.00 H new ATOM 0 HA ILE A 12 1.898 10.840 -0.329 1.00 0.00 H new ATOM 0 HB ILE A 12 0.088 11.702 -2.598 1.00 0.00 H new ATOM 0 HG12 ILE A 12 -0.274 13.135 -0.690 1.00 0.00 H new ATOM 0 HG13 ILE A 12 -1.633 12.038 -0.827 1.00 0.00 H new ATOM 0 HG21 ILE A 12 -1.429 9.894 -1.842 1.00 0.00 H new ATOM 0 HG22 ILE A 12 0.135 9.273 -2.420 1.00 0.00 H new ATOM 0 HG23 ILE A 12 -0.192 9.372 -0.674 1.00 0.00 H new ATOM 0 HD11 ILE A 12 -0.977 12.334 1.505 1.00 0.00 H new ATOM 0 HD12 ILE A 12 -0.714 10.650 0.993 1.00 0.00 H new ATOM 0 HD13 ILE A 12 0.667 11.764 1.132 1.00 0.00 H new ATOM 185 N ARG A 13 3.008 11.019 -3.424 1.00 0.00 N ATOM 186 CA ARG A 13 3.804 10.327 -4.449 1.00 0.00 C ATOM 187 C ARG A 13 5.117 9.793 -3.869 1.00 0.00 C ATOM 188 O ARG A 13 5.556 8.706 -4.226 1.00 0.00 O ATOM 189 CB ARG A 13 4.147 11.270 -5.604 1.00 0.00 C ATOM 190 CG ARG A 13 2.962 12.012 -6.186 1.00 0.00 C ATOM 191 CD ARG A 13 3.392 12.934 -7.306 1.00 0.00 C ATOM 192 NE ARG A 13 3.774 12.201 -8.518 1.00 0.00 N ATOM 193 CZ ARG A 13 4.521 12.701 -9.510 1.00 0.00 C ATOM 194 NH1 ARG A 13 5.046 13.919 -9.429 1.00 0.00 N ATOM 195 NH2 ARG A 13 4.742 11.968 -10.588 1.00 0.00 N ATOM 0 H ARG A 13 2.891 12.017 -3.597 1.00 0.00 H new ATOM 0 HA ARG A 13 3.196 9.497 -4.810 1.00 0.00 H new ATOM 0 HB2 ARG A 13 4.879 11.998 -5.256 1.00 0.00 H new ATOM 0 HB3 ARG A 13 4.623 10.693 -6.397 1.00 0.00 H new ATOM 0 HG2 ARG A 13 2.230 11.297 -6.561 1.00 0.00 H new ATOM 0 HG3 ARG A 13 2.471 12.590 -5.403 1.00 0.00 H new ATOM 0 HD2 ARG A 13 2.578 13.620 -7.541 1.00 0.00 H new ATOM 0 HD3 ARG A 13 4.233 13.540 -6.971 1.00 0.00 H new ATOM 0 HE ARG A 13 3.446 11.240 -8.612 1.00 0.00 H new ATOM 0 HH11 ARG A 13 4.883 14.491 -8.600 1.00 0.00 H new ATOM 0 HH12 ARG A 13 5.612 14.282 -10.196 1.00 0.00 H new ATOM 0 HH21 ARG A 13 4.345 11.031 -10.658 1.00 0.00 H new ATOM 0 HH22 ARG A 13 5.310 12.339 -11.350 1.00 0.00 H new ATOM 209 N GLU A 14 5.718 10.569 -2.961 1.00 0.00 N ATOM 210 CA GLU A 14 6.982 10.205 -2.320 1.00 0.00 C ATOM 211 C GLU A 14 6.755 9.146 -1.226 1.00 0.00 C ATOM 212 O GLU A 14 7.575 8.242 -1.041 1.00 0.00 O ATOM 213 CB GLU A 14 7.626 11.468 -1.735 1.00 0.00 C ATOM 214 CG GLU A 14 9.018 11.267 -1.153 1.00 0.00 C ATOM 215 CD GLU A 14 10.026 10.832 -2.194 1.00 0.00 C ATOM 216 OE1 GLU A 14 10.525 11.696 -2.937 1.00 0.00 O ATOM 217 OE2 GLU A 14 10.331 9.623 -2.267 1.00 0.00 O ATOM 0 H GLU A 14 5.341 11.465 -2.651 1.00 0.00 H new ATOM 0 HA GLU A 14 7.652 9.769 -3.061 1.00 0.00 H new ATOM 0 HB2 GLU A 14 7.681 12.226 -2.517 1.00 0.00 H new ATOM 0 HB3 GLU A 14 6.975 11.862 -0.954 1.00 0.00 H new ATOM 0 HG2 GLU A 14 9.354 12.197 -0.694 1.00 0.00 H new ATOM 0 HG3 GLU A 14 8.972 10.519 -0.362 1.00 0.00 H new ATOM 224 N ALA A 15 5.612 9.256 -0.534 1.00 0.00 N ATOM 225 CA ALA A 15 5.188 8.268 0.464 1.00 0.00 C ATOM 226 C ALA A 15 4.764 6.958 -0.204 1.00 0.00 C ATOM 227 O ALA A 15 4.806 5.896 0.408 1.00 0.00 O ATOM 228 CB ALA A 15 4.048 8.825 1.304 1.00 0.00 C ATOM 0 H ALA A 15 4.958 10.030 -0.651 1.00 0.00 H new ATOM 0 HA ALA A 15 6.037 8.057 1.114 1.00 0.00 H new ATOM 0 HB1 ALA A 15 3.742 8.082 2.041 1.00 0.00 H new ATOM 0 HB2 ALA A 15 4.381 9.728 1.816 1.00 0.00 H new ATOM 0 HB3 ALA A 15 3.203 9.064 0.658 1.00 0.00 H new ATOM 234 N PHE A 16 4.382 7.054 -1.474 1.00 0.00 N ATOM 235 CA PHE A 16 4.042 5.901 -2.296 1.00 0.00 C ATOM 236 C PHE A 16 5.305 5.114 -2.663 1.00 0.00 C ATOM 237 O PHE A 16 5.237 3.915 -2.859 1.00 0.00 O ATOM 238 CB PHE A 16 3.317 6.377 -3.570 1.00 0.00 C ATOM 239 CG PHE A 16 2.638 5.293 -4.360 1.00 0.00 C ATOM 240 CD1 PHE A 16 1.362 4.889 -4.031 1.00 0.00 C ATOM 241 CD2 PHE A 16 3.270 4.683 -5.431 1.00 0.00 C ATOM 242 CE1 PHE A 16 0.724 3.901 -4.745 1.00 0.00 C ATOM 243 CE2 PHE A 16 2.638 3.692 -6.147 1.00 0.00 C ATOM 244 CZ PHE A 16 1.362 3.301 -5.802 1.00 0.00 C ATOM 0 H PHE A 16 4.299 7.944 -1.965 1.00 0.00 H new ATOM 0 HA PHE A 16 3.382 5.241 -1.732 1.00 0.00 H new ATOM 0 HB2 PHE A 16 2.572 7.121 -3.289 1.00 0.00 H new ATOM 0 HB3 PHE A 16 4.039 6.877 -4.215 1.00 0.00 H new ATOM 0 HD1 PHE A 16 0.855 5.355 -3.199 1.00 0.00 H new ATOM 0 HD2 PHE A 16 4.269 4.988 -5.707 1.00 0.00 H new ATOM 0 HE1 PHE A 16 -0.277 3.598 -4.474 1.00 0.00 H new ATOM 0 HE2 PHE A 16 3.141 3.221 -6.978 1.00 0.00 H new ATOM 0 HZ PHE A 16 0.865 2.523 -6.363 1.00 0.00 H new ATOM 254 N ARG A 17 6.458 5.793 -2.713 1.00 0.00 N ATOM 255 CA ARG A 17 7.719 5.157 -3.116 1.00 0.00 C ATOM 256 C ARG A 17 8.335 4.357 -1.969 1.00 0.00 C ATOM 257 O ARG A 17 9.190 3.499 -2.200 1.00 0.00 O ATOM 258 CB ARG A 17 8.747 6.190 -3.601 1.00 0.00 C ATOM 259 CG ARG A 17 8.271 7.100 -4.729 1.00 0.00 C ATOM 260 CD ARG A 17 7.742 6.334 -5.935 1.00 0.00 C ATOM 261 NE ARG A 17 8.724 5.400 -6.488 1.00 0.00 N ATOM 262 CZ ARG A 17 9.265 5.509 -7.705 1.00 0.00 C ATOM 263 NH1 ARG A 17 9.064 6.596 -8.446 1.00 0.00 N ATOM 264 NH2 ARG A 17 10.041 4.543 -8.161 1.00 0.00 N ATOM 0 H ARG A 17 6.544 6.782 -2.480 1.00 0.00 H new ATOM 0 HA ARG A 17 7.472 4.484 -3.937 1.00 0.00 H new ATOM 0 HB2 ARG A 17 9.041 6.811 -2.755 1.00 0.00 H new ATOM 0 HB3 ARG A 17 9.640 5.661 -3.935 1.00 0.00 H new ATOM 0 HG2 ARG A 17 7.487 7.757 -4.351 1.00 0.00 H new ATOM 0 HG3 ARG A 17 9.096 7.738 -5.045 1.00 0.00 H new ATOM 0 HD2 ARG A 17 6.846 5.784 -5.646 1.00 0.00 H new ATOM 0 HD3 ARG A 17 7.445 7.043 -6.708 1.00 0.00 H new ATOM 0 HE ARG A 17 9.014 4.614 -5.906 1.00 0.00 H new ATOM 0 HH11 ARG A 17 8.491 7.359 -8.087 1.00 0.00 H new ATOM 0 HH12 ARG A 17 9.483 6.666 -9.373 1.00 0.00 H new ATOM 0 HH21 ARG A 17 10.224 3.721 -7.585 1.00 0.00 H new ATOM 0 HH22 ARG A 17 10.458 4.619 -9.089 1.00 0.00 H new ATOM 278 N VAL A 18 7.922 4.663 -0.736 1.00 0.00 N ATOM 279 CA VAL A 18 8.360 3.904 0.445 1.00 0.00 C ATOM 280 C VAL A 18 7.635 2.573 0.471 1.00 0.00 C ATOM 281 O VAL A 18 8.207 1.542 0.813 1.00 0.00 O ATOM 282 CB VAL A 18 8.045 4.602 1.796 1.00 0.00 C ATOM 283 CG1 VAL A 18 9.069 4.241 2.860 1.00 0.00 C ATOM 284 CG2 VAL A 18 7.923 6.093 1.649 1.00 0.00 C ATOM 0 H VAL A 18 7.284 5.431 -0.527 1.00 0.00 H new ATOM 0 HA VAL A 18 9.442 3.807 0.352 1.00 0.00 H new ATOM 0 HB VAL A 18 7.074 4.230 2.123 1.00 0.00 H new ATOM 0 HG11 VAL A 18 8.818 4.747 3.793 1.00 0.00 H new ATOM 0 HG12 VAL A 18 9.064 3.163 3.019 1.00 0.00 H new ATOM 0 HG13 VAL A 18 10.060 4.555 2.532 1.00 0.00 H new ATOM 0 HG21 VAL A 18 7.702 6.537 2.620 1.00 0.00 H new ATOM 0 HG22 VAL A 18 8.860 6.499 1.269 1.00 0.00 H new ATOM 0 HG23 VAL A 18 7.118 6.325 0.952 1.00 0.00 H new ATOM 294 N PHE A 19 6.365 2.619 0.090 1.00 0.00 N ATOM 295 CA PHE A 19 5.505 1.469 0.191 1.00 0.00 C ATOM 296 C PHE A 19 5.605 0.571 -1.048 1.00 0.00 C ATOM 297 O PHE A 19 5.538 -0.656 -0.941 1.00 0.00 O ATOM 298 CB PHE A 19 4.064 1.907 0.447 1.00 0.00 C ATOM 299 CG PHE A 19 3.803 2.282 1.883 1.00 0.00 C ATOM 300 CD1 PHE A 19 3.984 3.581 2.325 1.00 0.00 C ATOM 301 CD2 PHE A 19 3.384 1.326 2.788 1.00 0.00 C ATOM 302 CE1 PHE A 19 3.752 3.919 3.642 1.00 0.00 C ATOM 303 CE2 PHE A 19 3.149 1.659 4.108 1.00 0.00 C ATOM 304 CZ PHE A 19 3.333 2.955 4.535 1.00 0.00 C ATOM 0 H PHE A 19 5.915 3.450 -0.293 1.00 0.00 H new ATOM 0 HA PHE A 19 5.840 0.872 1.039 1.00 0.00 H new ATOM 0 HB2 PHE A 19 3.831 2.759 -0.192 1.00 0.00 H new ATOM 0 HB3 PHE A 19 3.390 1.100 0.161 1.00 0.00 H new ATOM 0 HD1 PHE A 19 4.311 4.340 1.630 1.00 0.00 H new ATOM 0 HD2 PHE A 19 3.239 0.307 2.460 1.00 0.00 H new ATOM 0 HE1 PHE A 19 3.898 4.936 3.973 1.00 0.00 H new ATOM 0 HE2 PHE A 19 2.821 0.902 4.805 1.00 0.00 H new ATOM 0 HZ PHE A 19 3.150 3.216 5.567 1.00 0.00 H new ATOM 314 N ASP A 20 5.771 1.196 -2.214 1.00 0.00 N ATOM 315 CA ASP A 20 5.959 0.473 -3.470 1.00 0.00 C ATOM 316 C ASP A 20 7.450 0.278 -3.729 1.00 0.00 C ATOM 317 O ASP A 20 8.147 1.204 -4.156 1.00 0.00 O ATOM 318 CB ASP A 20 5.326 1.222 -4.652 1.00 0.00 C ATOM 319 CG ASP A 20 5.075 0.334 -5.861 1.00 0.00 C ATOM 320 OD1 ASP A 20 5.957 -0.424 -6.259 1.00 0.00 O ATOM 321 OD2 ASP A 20 3.988 0.362 -6.416 1.00 0.00 O ATOM 0 H ASP A 20 5.779 2.211 -2.314 1.00 0.00 H new ATOM 0 HA ASP A 20 5.465 -0.494 -3.380 1.00 0.00 H new ATOM 0 HB2 ASP A 20 4.382 1.662 -4.331 1.00 0.00 H new ATOM 0 HB3 ASP A 20 5.979 2.045 -4.943 1.00 0.00 H new ATOM 326 N LYS A 21 7.925 -0.924 -3.442 1.00 0.00 N ATOM 327 CA LYS A 21 9.329 -1.278 -3.621 1.00 0.00 C ATOM 328 C LYS A 21 9.712 -1.579 -5.070 1.00 0.00 C ATOM 329 O LYS A 21 10.859 -1.362 -5.458 1.00 0.00 O ATOM 330 CB LYS A 21 9.713 -2.432 -2.699 1.00 0.00 C ATOM 331 CG LYS A 21 9.833 -1.994 -1.247 1.00 0.00 C ATOM 332 CD LYS A 21 10.991 -1.016 -1.069 1.00 0.00 C ATOM 333 CE LYS A 21 10.858 -0.183 0.192 1.00 0.00 C ATOM 334 NZ LYS A 21 10.863 -1.005 1.420 1.00 0.00 N ATOM 0 H LYS A 21 7.350 -1.684 -3.078 1.00 0.00 H new ATOM 0 HA LYS A 21 9.902 -0.393 -3.346 1.00 0.00 H new ATOM 0 HB2 LYS A 21 8.966 -3.221 -2.778 1.00 0.00 H new ATOM 0 HB3 LYS A 21 10.661 -2.857 -3.028 1.00 0.00 H new ATOM 0 HG2 LYS A 21 8.903 -1.525 -0.926 1.00 0.00 H new ATOM 0 HG3 LYS A 21 9.987 -2.866 -0.611 1.00 0.00 H new ATOM 0 HD2 LYS A 21 11.929 -1.570 -1.037 1.00 0.00 H new ATOM 0 HD3 LYS A 21 11.040 -0.355 -1.934 1.00 0.00 H new ATOM 0 HE2 LYS A 21 11.677 0.535 0.237 1.00 0.00 H new ATOM 0 HE3 LYS A 21 9.933 0.391 0.148 1.00 0.00 H new ATOM 0 HZ1 LYS A 21 10.702 -0.395 2.247 1.00 0.00 H new ATOM 0 HZ2 LYS A 21 10.108 -1.718 1.363 1.00 0.00 H new ATOM 0 HZ3 LYS A 21 11.783 -1.481 1.515 1.00 0.00 H new ATOM 348 N ASP A 22 8.762 -2.068 -5.869 1.00 0.00 N ATOM 349 CA ASP A 22 9.076 -2.475 -7.247 1.00 0.00 C ATOM 350 C ASP A 22 8.894 -1.332 -8.268 1.00 0.00 C ATOM 351 O ASP A 22 9.324 -1.456 -9.416 1.00 0.00 O ATOM 352 CB ASP A 22 8.236 -3.710 -7.653 1.00 0.00 C ATOM 353 CG ASP A 22 6.734 -3.525 -7.507 1.00 0.00 C ATOM 354 OD1 ASP A 22 6.201 -2.557 -8.017 1.00 0.00 O ATOM 355 OD2 ASP A 22 6.070 -4.353 -6.884 1.00 0.00 O ATOM 0 H ASP A 22 7.787 -2.192 -5.597 1.00 0.00 H new ATOM 0 HA ASP A 22 10.133 -2.740 -7.263 1.00 0.00 H new ATOM 0 HB2 ASP A 22 8.460 -3.961 -8.690 1.00 0.00 H new ATOM 0 HB3 ASP A 22 8.546 -4.560 -7.045 1.00 0.00 H new ATOM 360 N GLY A 23 8.277 -0.234 -7.823 1.00 0.00 N ATOM 361 CA GLY A 23 8.095 0.965 -8.637 1.00 0.00 C ATOM 362 C GLY A 23 7.113 0.815 -9.804 1.00 0.00 C ATOM 363 O GLY A 23 7.285 1.475 -10.827 1.00 0.00 O ATOM 0 H GLY A 23 7.889 -0.154 -6.883 1.00 0.00 H new ATOM 0 HA2 GLY A 23 7.749 1.774 -7.993 1.00 0.00 H new ATOM 0 HA3 GLY A 23 9.064 1.266 -9.034 1.00 0.00 H new ATOM 367 N ASN A 24 6.076 -0.028 -9.666 1.00 0.00 N ATOM 368 CA ASN A 24 5.127 -0.251 -10.777 1.00 0.00 C ATOM 369 C ASN A 24 3.903 0.679 -10.707 1.00 0.00 C ATOM 370 O ASN A 24 3.220 0.872 -11.715 1.00 0.00 O ATOM 371 CB ASN A 24 4.675 -1.734 -10.875 1.00 0.00 C ATOM 372 CG ASN A 24 3.678 -2.193 -9.802 1.00 0.00 C ATOM 373 OD1 ASN A 24 3.702 -1.743 -8.659 1.00 0.00 O ATOM 374 ND2 ASN A 24 2.802 -3.110 -10.165 1.00 0.00 N ATOM 0 H ASN A 24 5.873 -0.557 -8.818 1.00 0.00 H new ATOM 0 HA ASN A 24 5.677 -0.004 -11.685 1.00 0.00 H new ATOM 0 HB2 ASN A 24 4.227 -1.895 -11.855 1.00 0.00 H new ATOM 0 HB3 ASN A 24 5.559 -2.369 -10.820 1.00 0.00 H new ATOM 0 HD21 ASN A 24 2.123 -3.462 -9.490 1.00 0.00 H new ATOM 0 HD22 ASN A 24 2.804 -3.467 -11.121 1.00 0.00 H new ATOM 381 N GLY A 25 3.642 1.267 -9.534 1.00 0.00 N ATOM 382 CA GLY A 25 2.485 2.138 -9.375 1.00 0.00 C ATOM 383 C GLY A 25 1.301 1.442 -8.720 1.00 0.00 C ATOM 384 O GLY A 25 0.182 1.958 -8.740 1.00 0.00 O ATOM 0 H GLY A 25 4.211 1.155 -8.695 1.00 0.00 H new ATOM 0 HA2 GLY A 25 2.768 3.003 -8.775 1.00 0.00 H new ATOM 0 HA3 GLY A 25 2.183 2.514 -10.353 1.00 0.00 H new ATOM 388 N TYR A 26 1.562 0.273 -8.133 1.00 0.00 N ATOM 389 CA TYR A 26 0.552 -0.550 -7.469 1.00 0.00 C ATOM 390 C TYR A 26 1.149 -1.182 -6.228 1.00 0.00 C ATOM 391 O TYR A 26 2.210 -1.794 -6.303 1.00 0.00 O ATOM 392 CB TYR A 26 0.078 -1.678 -8.392 1.00 0.00 C ATOM 393 CG TYR A 26 -0.803 -1.205 -9.497 1.00 0.00 C ATOM 394 CD1 TYR A 26 -2.131 -0.991 -9.254 1.00 0.00 C ATOM 395 CD2 TYR A 26 -0.307 -0.938 -10.766 1.00 0.00 C ATOM 396 CE1 TYR A 26 -2.958 -0.533 -10.231 1.00 0.00 C ATOM 397 CE2 TYR A 26 -1.136 -0.466 -11.760 1.00 0.00 C ATOM 398 CZ TYR A 26 -2.466 -0.265 -11.484 1.00 0.00 C ATOM 399 OH TYR A 26 -3.306 0.208 -12.461 1.00 0.00 O ATOM 0 H TYR A 26 2.497 -0.134 -8.106 1.00 0.00 H new ATOM 0 HA TYR A 26 -0.291 0.091 -7.211 1.00 0.00 H new ATOM 0 HB2 TYR A 26 0.947 -2.178 -8.819 1.00 0.00 H new ATOM 0 HB3 TYR A 26 -0.459 -2.420 -7.801 1.00 0.00 H new ATOM 0 HD1 TYR A 26 -2.530 -1.189 -8.270 1.00 0.00 H new ATOM 0 HD2 TYR A 26 0.740 -1.102 -10.976 1.00 0.00 H new ATOM 0 HE1 TYR A 26 -4.006 -0.379 -10.020 1.00 0.00 H new ATOM 0 HE2 TYR A 26 -0.744 -0.257 -12.745 1.00 0.00 H new ATOM 0 HH TYR A 26 -2.800 0.347 -13.288 1.00 0.00 H new ATOM 409 N ILE A 27 0.470 -1.067 -5.108 1.00 0.00 N ATOM 410 CA ILE A 27 0.948 -1.653 -3.869 1.00 0.00 C ATOM 411 C ILE A 27 0.183 -2.937 -3.600 1.00 0.00 C ATOM 412 O ILE A 27 -1.012 -2.921 -3.308 1.00 0.00 O ATOM 413 CB ILE A 27 0.829 -0.679 -2.662 1.00 0.00 C ATOM 414 CG1 ILE A 27 1.603 0.612 -2.954 1.00 0.00 C ATOM 415 CG2 ILE A 27 1.356 -1.335 -1.379 1.00 0.00 C ATOM 416 CD1 ILE A 27 1.379 1.707 -1.938 1.00 0.00 C ATOM 0 H ILE A 27 -0.418 -0.572 -5.027 1.00 0.00 H new ATOM 0 HA ILE A 27 2.010 -1.868 -3.985 1.00 0.00 H new ATOM 0 HB ILE A 27 -0.224 -0.438 -2.514 1.00 0.00 H new ATOM 0 HG12 ILE A 27 2.668 0.383 -2.997 1.00 0.00 H new ATOM 0 HG13 ILE A 27 1.316 0.980 -3.939 1.00 0.00 H new ATOM 0 HG21 ILE A 27 1.263 -0.636 -0.548 1.00 0.00 H new ATOM 0 HG22 ILE A 27 0.776 -2.233 -1.165 1.00 0.00 H new ATOM 0 HG23 ILE A 27 2.404 -1.603 -1.512 1.00 0.00 H new ATOM 0 HD11 ILE A 27 1.961 2.586 -2.216 1.00 0.00 H new ATOM 0 HD12 ILE A 27 0.321 1.967 -1.910 1.00 0.00 H new ATOM 0 HD13 ILE A 27 1.693 1.360 -0.954 1.00 0.00 H new ATOM 428 N SER A 28 0.886 -4.045 -3.739 1.00 0.00 N ATOM 429 CA SER A 28 0.320 -5.347 -3.481 1.00 0.00 C ATOM 430 C SER A 28 0.548 -5.727 -2.014 1.00 0.00 C ATOM 431 O SER A 28 1.233 -5.010 -1.267 1.00 0.00 O ATOM 432 CB SER A 28 0.955 -6.376 -4.430 1.00 0.00 C ATOM 433 OG SER A 28 0.254 -7.609 -4.445 1.00 0.00 O ATOM 0 H SER A 28 1.862 -4.064 -4.033 1.00 0.00 H new ATOM 0 HA SER A 28 -0.755 -5.330 -3.662 1.00 0.00 H new ATOM 0 HB2 SER A 28 0.982 -5.966 -5.439 1.00 0.00 H new ATOM 0 HB3 SER A 28 1.988 -6.553 -4.130 1.00 0.00 H new ATOM 0 HG SER A 28 0.695 -8.228 -5.063 1.00 0.00 H new ATOM 439 N ALA A 29 -0.020 -6.859 -1.623 1.00 0.00 N ATOM 440 CA ALA A 29 0.100 -7.392 -0.271 1.00 0.00 C ATOM 441 C ALA A 29 1.532 -7.830 0.051 1.00 0.00 C ATOM 442 O ALA A 29 1.947 -7.782 1.199 1.00 0.00 O ATOM 443 CB ALA A 29 -0.859 -8.556 -0.093 1.00 0.00 C ATOM 0 H ALA A 29 -0.584 -7.441 -2.242 1.00 0.00 H new ATOM 0 HA ALA A 29 -0.157 -6.594 0.426 1.00 0.00 H new ATOM 0 HB1 ALA A 29 -0.767 -8.952 0.918 1.00 0.00 H new ATOM 0 HB2 ALA A 29 -1.881 -8.214 -0.257 1.00 0.00 H new ATOM 0 HB3 ALA A 29 -0.619 -9.339 -0.812 1.00 0.00 H new ATOM 449 N ALA A 30 2.292 -8.223 -0.978 1.00 0.00 N ATOM 450 CA ALA A 30 3.693 -8.618 -0.813 1.00 0.00 C ATOM 451 C ALA A 30 4.586 -7.421 -0.458 1.00 0.00 C ATOM 452 O ALA A 30 5.573 -7.569 0.267 1.00 0.00 O ATOM 453 CB ALA A 30 4.200 -9.289 -2.079 1.00 0.00 C ATOM 0 H ALA A 30 1.956 -8.276 -1.940 1.00 0.00 H new ATOM 0 HA ALA A 30 3.741 -9.324 0.016 1.00 0.00 H new ATOM 0 HB1 ALA A 30 5.242 -9.578 -1.945 1.00 0.00 H new ATOM 0 HB2 ALA A 30 3.601 -10.176 -2.286 1.00 0.00 H new ATOM 0 HB3 ALA A 30 4.121 -8.595 -2.915 1.00 0.00 H new ATOM 459 N GLU A 31 4.201 -6.238 -0.944 1.00 0.00 N ATOM 460 CA GLU A 31 4.974 -5.017 -0.743 1.00 0.00 C ATOM 461 C GLU A 31 4.714 -4.398 0.616 1.00 0.00 C ATOM 462 O GLU A 31 5.654 -3.972 1.285 1.00 0.00 O ATOM 463 CB GLU A 31 4.654 -4.008 -1.830 1.00 0.00 C ATOM 464 CG GLU A 31 5.048 -4.492 -3.200 1.00 0.00 C ATOM 465 CD GLU A 31 4.728 -3.507 -4.276 1.00 0.00 C ATOM 466 OE1 GLU A 31 5.511 -2.581 -4.481 1.00 0.00 O ATOM 467 OE2 GLU A 31 3.708 -3.662 -4.960 1.00 0.00 O ATOM 0 H GLU A 31 3.347 -6.103 -1.486 1.00 0.00 H new ATOM 0 HA GLU A 31 6.028 -5.290 -0.792 1.00 0.00 H new ATOM 0 HB2 GLU A 31 3.586 -3.792 -1.818 1.00 0.00 H new ATOM 0 HB3 GLU A 31 5.171 -3.072 -1.616 1.00 0.00 H new ATOM 0 HG2 GLU A 31 6.117 -4.702 -3.212 1.00 0.00 H new ATOM 0 HG3 GLU A 31 4.536 -5.431 -3.410 1.00 0.00 H new ATOM 474 N LEU A 32 3.441 -4.365 1.024 1.00 0.00 N ATOM 475 CA LEU A 32 3.054 -3.840 2.333 1.00 0.00 C ATOM 476 C LEU A 32 3.610 -4.722 3.456 1.00 0.00 C ATOM 477 O LEU A 32 4.053 -4.213 4.480 1.00 0.00 O ATOM 478 CB LEU A 32 1.527 -3.744 2.437 1.00 0.00 C ATOM 479 CG LEU A 32 0.992 -3.117 3.735 1.00 0.00 C ATOM 480 CD1 LEU A 32 1.350 -1.643 3.821 1.00 0.00 C ATOM 481 CD2 LEU A 32 -0.507 -3.303 3.841 1.00 0.00 C ATOM 0 H LEU A 32 2.659 -4.698 0.461 1.00 0.00 H new ATOM 0 HA LEU A 32 3.476 -2.841 2.441 1.00 0.00 H new ATOM 0 HB2 LEU A 32 1.158 -3.161 1.593 1.00 0.00 H new ATOM 0 HB3 LEU A 32 1.109 -4.746 2.339 1.00 0.00 H new ATOM 0 HG LEU A 32 1.466 -3.630 4.572 1.00 0.00 H new ATOM 0 HD11 LEU A 32 0.958 -1.227 4.749 1.00 0.00 H new ATOM 0 HD12 LEU A 32 2.434 -1.530 3.802 1.00 0.00 H new ATOM 0 HD13 LEU A 32 0.915 -1.113 2.974 1.00 0.00 H new ATOM 0 HD21 LEU A 32 -0.865 -2.852 4.767 1.00 0.00 H new ATOM 0 HD22 LEU A 32 -0.994 -2.824 2.992 1.00 0.00 H new ATOM 0 HD23 LEU A 32 -0.742 -4.367 3.841 1.00 0.00 H new ATOM 493 N ARG A 33 3.625 -6.037 3.213 1.00 0.00 N ATOM 494 CA ARG A 33 4.186 -7.020 4.141 1.00 0.00 C ATOM 495 C ARG A 33 5.692 -6.813 4.317 1.00 0.00 C ATOM 496 O ARG A 33 6.200 -6.868 5.432 1.00 0.00 O ATOM 497 CB ARG A 33 3.919 -8.413 3.586 1.00 0.00 C ATOM 498 CG ARG A 33 4.184 -9.555 4.543 1.00 0.00 C ATOM 499 CD ARG A 33 3.889 -10.873 3.856 1.00 0.00 C ATOM 500 NE ARG A 33 3.890 -12.010 4.770 1.00 0.00 N ATOM 501 CZ ARG A 33 3.082 -13.065 4.632 1.00 0.00 C ATOM 502 NH1 ARG A 33 2.195 -13.103 3.635 1.00 0.00 N ATOM 503 NH2 ARG A 33 3.165 -14.071 5.492 1.00 0.00 N ATOM 0 H ARG A 33 3.245 -6.450 2.361 1.00 0.00 H new ATOM 0 HA ARG A 33 3.716 -6.901 5.117 1.00 0.00 H new ATOM 0 HB2 ARG A 33 2.879 -8.464 3.265 1.00 0.00 H new ATOM 0 HB3 ARG A 33 4.534 -8.556 2.698 1.00 0.00 H new ATOM 0 HG2 ARG A 33 5.222 -9.531 4.875 1.00 0.00 H new ATOM 0 HG3 ARG A 33 3.562 -9.450 5.432 1.00 0.00 H new ATOM 0 HD2 ARG A 33 2.918 -10.810 3.365 1.00 0.00 H new ATOM 0 HD3 ARG A 33 4.630 -11.042 3.075 1.00 0.00 H new ATOM 0 HE ARG A 33 4.541 -11.999 5.555 1.00 0.00 H new ATOM 0 HH11 ARG A 33 2.133 -12.326 2.977 1.00 0.00 H new ATOM 0 HH12 ARG A 33 1.579 -13.909 3.531 1.00 0.00 H new ATOM 0 HH21 ARG A 33 3.843 -14.036 6.253 1.00 0.00 H new ATOM 0 HH22 ARG A 33 2.551 -14.879 5.392 1.00 0.00 H new ATOM 517 N HIS A 34 6.374 -6.532 3.202 1.00 0.00 N ATOM 518 CA HIS A 34 7.822 -6.346 3.182 1.00 0.00 C ATOM 519 C HIS A 34 8.233 -5.072 3.944 1.00 0.00 C ATOM 520 O HIS A 34 9.242 -5.069 4.651 1.00 0.00 O ATOM 521 CB HIS A 34 8.312 -6.302 1.723 1.00 0.00 C ATOM 522 CG HIS A 34 9.797 -6.444 1.555 1.00 0.00 C ATOM 523 ND1 HIS A 34 10.451 -7.649 1.649 1.00 0.00 N ATOM 524 CD2 HIS A 34 10.750 -5.527 1.286 1.00 0.00 C ATOM 525 CE1 HIS A 34 11.742 -7.465 1.456 1.00 0.00 C ATOM 526 NE2 HIS A 34 11.953 -6.185 1.231 1.00 0.00 N ATOM 0 H HIS A 34 5.933 -6.428 2.288 1.00 0.00 H new ATOM 0 HA HIS A 34 8.292 -7.188 3.690 1.00 0.00 H new ATOM 0 HB2 HIS A 34 7.819 -7.098 1.164 1.00 0.00 H new ATOM 0 HB3 HIS A 34 7.998 -5.358 1.277 1.00 0.00 H new ATOM 0 HD2 HIS A 34 10.594 -4.468 1.141 1.00 0.00 H new ATOM 0 HE1 HIS A 34 12.499 -8.235 1.479 1.00 0.00 H new ATOM 0 HE2 HIS A 34 12.859 -5.754 1.047 1.00 0.00 H new ATOM 535 N VAL A 35 7.431 -4.012 3.801 1.00 0.00 N ATOM 536 CA VAL A 35 7.686 -2.737 4.476 1.00 0.00 C ATOM 537 C VAL A 35 7.426 -2.847 5.992 1.00 0.00 C ATOM 538 O VAL A 35 8.262 -2.424 6.785 1.00 0.00 O ATOM 539 CB VAL A 35 6.838 -1.587 3.841 1.00 0.00 C ATOM 540 CG1 VAL A 35 6.979 -0.267 4.593 1.00 0.00 C ATOM 541 CG2 VAL A 35 7.235 -1.382 2.386 1.00 0.00 C ATOM 0 H VAL A 35 6.593 -4.014 3.219 1.00 0.00 H new ATOM 0 HA VAL A 35 8.739 -2.492 4.338 1.00 0.00 H new ATOM 0 HB VAL A 35 5.795 -1.895 3.907 1.00 0.00 H new ATOM 0 HG11 VAL A 35 6.369 0.495 4.108 1.00 0.00 H new ATOM 0 HG12 VAL A 35 6.646 -0.397 5.623 1.00 0.00 H new ATOM 0 HG13 VAL A 35 8.023 0.046 4.586 1.00 0.00 H new ATOM 0 HG21 VAL A 35 6.637 -0.579 1.955 1.00 0.00 H new ATOM 0 HG22 VAL A 35 8.291 -1.118 2.331 1.00 0.00 H new ATOM 0 HG23 VAL A 35 7.061 -2.302 1.828 1.00 0.00 H new ATOM 551 N MET A 36 6.303 -3.472 6.373 1.00 0.00 N ATOM 552 CA MET A 36 5.898 -3.587 7.790 1.00 0.00 C ATOM 553 C MET A 36 6.859 -4.439 8.615 1.00 0.00 C ATOM 554 O MET A 36 7.171 -4.092 9.755 1.00 0.00 O ATOM 555 CB MET A 36 4.493 -4.173 7.909 1.00 0.00 C ATOM 556 CG MET A 36 3.400 -3.227 7.455 1.00 0.00 C ATOM 557 SD MET A 36 3.367 -1.701 8.404 1.00 0.00 S ATOM 558 CE MET A 36 2.084 -0.819 7.529 1.00 0.00 C ATOM 0 H MET A 36 5.653 -3.909 5.720 1.00 0.00 H new ATOM 0 HA MET A 36 5.917 -2.573 8.189 1.00 0.00 H new ATOM 0 HB2 MET A 36 4.439 -5.087 7.318 1.00 0.00 H new ATOM 0 HB3 MET A 36 4.312 -4.453 8.947 1.00 0.00 H new ATOM 0 HG2 MET A 36 3.544 -2.991 6.400 1.00 0.00 H new ATOM 0 HG3 MET A 36 2.434 -3.725 7.542 1.00 0.00 H new ATOM 0 HE1 MET A 36 1.909 0.142 8.012 1.00 0.00 H new ATOM 0 HE2 MET A 36 2.394 -0.655 6.497 1.00 0.00 H new ATOM 0 HE3 MET A 36 1.165 -1.405 7.543 1.00 0.00 H new ATOM 568 N THR A 37 7.335 -5.539 8.028 1.00 0.00 N ATOM 569 CA THR A 37 8.280 -6.442 8.695 1.00 0.00 C ATOM 570 C THR A 37 9.659 -5.773 8.881 1.00 0.00 C ATOM 571 O THR A 37 10.323 -5.982 9.900 1.00 0.00 O ATOM 572 CB THR A 37 8.406 -7.768 7.903 1.00 0.00 C ATOM 573 OG1 THR A 37 7.103 -8.336 7.729 1.00 0.00 O ATOM 574 CG2 THR A 37 9.294 -8.788 8.608 1.00 0.00 C ATOM 0 H THR A 37 7.080 -5.829 7.084 1.00 0.00 H new ATOM 0 HA THR A 37 7.892 -6.669 9.688 1.00 0.00 H new ATOM 0 HB THR A 37 8.867 -7.532 6.944 1.00 0.00 H new ATOM 0 HG1 THR A 37 6.664 -7.917 6.960 1.00 0.00 H new ATOM 0 HG21 THR A 37 9.348 -9.698 8.010 1.00 0.00 H new ATOM 0 HG22 THR A 37 10.295 -8.375 8.731 1.00 0.00 H new ATOM 0 HG23 THR A 37 8.874 -9.021 9.587 1.00 0.00 H new ATOM 582 N ASN A 38 10.035 -4.914 7.929 1.00 0.00 N ATOM 583 CA ASN A 38 11.290 -4.155 7.992 1.00 0.00 C ATOM 584 C ASN A 38 11.213 -3.046 9.052 1.00 0.00 C ATOM 585 O ASN A 38 12.210 -2.724 9.701 1.00 0.00 O ATOM 586 CB ASN A 38 11.586 -3.562 6.616 1.00 0.00 C ATOM 587 CG ASN A 38 12.928 -2.854 6.523 1.00 0.00 C ATOM 588 OD1 ASN A 38 13.957 -3.485 6.317 1.00 0.00 O ATOM 589 ND2 ASN A 38 12.912 -1.534 6.617 1.00 0.00 N ATOM 0 H ASN A 38 9.480 -4.725 7.094 1.00 0.00 H new ATOM 0 HA ASN A 38 12.097 -4.828 8.280 1.00 0.00 H new ATOM 0 HB2 ASN A 38 11.556 -4.360 5.874 1.00 0.00 H new ATOM 0 HB3 ASN A 38 10.796 -2.857 6.358 1.00 0.00 H new ATOM 0 HD21 ASN A 38 13.778 -1.005 6.517 1.00 0.00 H new ATOM 0 HD22 ASN A 38 12.033 -1.046 6.789 1.00 0.00 H new ATOM 596 N LEU A 39 10.007 -2.493 9.244 1.00 0.00 N ATOM 597 CA LEU A 39 9.745 -1.490 10.285 1.00 0.00 C ATOM 598 C LEU A 39 9.741 -2.113 11.687 1.00 0.00 C ATOM 599 O LEU A 39 9.748 -1.399 12.684 1.00 0.00 O ATOM 600 CB LEU A 39 8.394 -0.799 10.031 1.00 0.00 C ATOM 601 CG LEU A 39 8.307 0.058 8.763 1.00 0.00 C ATOM 602 CD1 LEU A 39 6.883 0.541 8.540 1.00 0.00 C ATOM 603 CD2 LEU A 39 9.257 1.244 8.847 1.00 0.00 C ATOM 0 H LEU A 39 9.188 -2.728 8.683 1.00 0.00 H new ATOM 0 HA LEU A 39 10.550 -0.757 10.239 1.00 0.00 H new ATOM 0 HB2 LEU A 39 7.620 -1.565 9.982 1.00 0.00 H new ATOM 0 HB3 LEU A 39 8.164 -0.168 10.889 1.00 0.00 H new ATOM 0 HG LEU A 39 8.602 -0.561 7.916 1.00 0.00 H new ATOM 0 HD11 LEU A 39 6.842 1.148 7.635 1.00 0.00 H new ATOM 0 HD12 LEU A 39 6.220 -0.318 8.432 1.00 0.00 H new ATOM 0 HD13 LEU A 39 6.564 1.140 9.393 1.00 0.00 H new ATOM 0 HD21 LEU A 39 9.179 1.838 7.937 1.00 0.00 H new ATOM 0 HD22 LEU A 39 8.994 1.861 9.707 1.00 0.00 H new ATOM 0 HD23 LEU A 39 10.280 0.884 8.958 1.00 0.00 H new ATOM 615 N GLY A 40 9.718 -3.448 11.750 1.00 0.00 N ATOM 616 CA GLY A 40 9.724 -4.153 13.020 1.00 0.00 C ATOM 617 C GLY A 40 8.336 -4.345 13.583 1.00 0.00 C ATOM 618 O GLY A 40 8.174 -4.870 14.686 1.00 0.00 O ATOM 0 H GLY A 40 9.695 -4.056 10.931 1.00 0.00 H new ATOM 0 HA2 GLY A 40 10.197 -5.126 12.889 1.00 0.00 H new ATOM 0 HA3 GLY A 40 10.329 -3.598 13.737 1.00 0.00 H new ATOM 622 N GLU A 41 7.339 -3.915 12.819 1.00 0.00 N ATOM 623 CA GLU A 41 5.948 -4.103 13.190 1.00 0.00 C ATOM 624 C GLU A 41 5.537 -5.533 12.885 1.00 0.00 C ATOM 625 O GLU A 41 4.846 -6.161 13.682 1.00 0.00 O ATOM 626 CB GLU A 41 5.050 -3.117 12.446 1.00 0.00 C ATOM 627 CG GLU A 41 5.371 -1.659 12.736 1.00 0.00 C ATOM 628 CD GLU A 41 4.287 -0.733 12.250 1.00 0.00 C ATOM 629 OE1 GLU A 41 3.239 -0.653 12.923 1.00 0.00 O ATOM 630 OE2 GLU A 41 4.471 -0.083 11.205 1.00 0.00 O ATOM 0 H GLU A 41 7.474 -3.430 11.932 1.00 0.00 H new ATOM 0 HA GLU A 41 5.835 -3.915 14.258 1.00 0.00 H new ATOM 0 HB2 GLU A 41 5.141 -3.294 11.374 1.00 0.00 H new ATOM 0 HB3 GLU A 41 4.012 -3.311 12.714 1.00 0.00 H new ATOM 0 HG2 GLU A 41 5.508 -1.525 13.809 1.00 0.00 H new ATOM 0 HG3 GLU A 41 6.315 -1.394 12.259 1.00 0.00 H new ATOM 637 N LYS A 42 6.021 -6.011 11.723 1.00 0.00 N ATOM 638 CA LYS A 42 5.875 -7.388 11.241 1.00 0.00 C ATOM 639 C LYS A 42 4.407 -7.803 11.156 1.00 0.00 C ATOM 640 O LYS A 42 3.827 -8.357 12.098 1.00 0.00 O ATOM 641 CB LYS A 42 6.699 -8.363 12.088 1.00 0.00 C ATOM 642 CG LYS A 42 6.899 -9.701 11.415 1.00 0.00 C ATOM 643 CD LYS A 42 7.698 -10.651 12.278 1.00 0.00 C ATOM 644 CE LYS A 42 7.860 -11.987 11.589 1.00 0.00 C ATOM 645 NZ LYS A 42 8.750 -12.896 12.343 1.00 0.00 N ATOM 0 H LYS A 42 6.543 -5.423 11.074 1.00 0.00 H new ATOM 0 HA LYS A 42 6.272 -7.426 10.227 1.00 0.00 H new ATOM 0 HB2 LYS A 42 7.672 -7.920 12.300 1.00 0.00 H new ATOM 0 HB3 LYS A 42 6.202 -8.514 13.046 1.00 0.00 H new ATOM 0 HG2 LYS A 42 5.928 -10.143 11.190 1.00 0.00 H new ATOM 0 HG3 LYS A 42 7.411 -9.556 10.464 1.00 0.00 H new ATOM 0 HD2 LYS A 42 8.678 -10.223 12.488 1.00 0.00 H new ATOM 0 HD3 LYS A 42 7.198 -10.788 13.237 1.00 0.00 H new ATOM 0 HE2 LYS A 42 6.882 -12.454 11.469 1.00 0.00 H new ATOM 0 HE3 LYS A 42 8.264 -11.832 10.588 1.00 0.00 H new ATOM 0 HZ1 LYS A 42 8.833 -13.800 11.836 1.00 0.00 H new ATOM 0 HZ2 LYS A 42 9.691 -12.463 12.435 1.00 0.00 H new ATOM 0 HZ3 LYS A 42 8.352 -13.065 13.289 1.00 0.00 H new ATOM 659 N LEU A 43 3.810 -7.495 10.024 1.00 0.00 N ATOM 660 CA LEU A 43 2.394 -7.705 9.832 1.00 0.00 C ATOM 661 C LEU A 43 2.149 -9.100 9.262 1.00 0.00 C ATOM 662 O LEU A 43 2.811 -9.511 8.302 1.00 0.00 O ATOM 663 CB LEU A 43 1.844 -6.607 8.916 1.00 0.00 C ATOM 664 CG LEU A 43 0.478 -6.033 9.300 1.00 0.00 C ATOM 665 CD1 LEU A 43 0.521 -5.433 10.700 1.00 0.00 C ATOM 666 CD2 LEU A 43 0.052 -4.981 8.290 1.00 0.00 C ATOM 0 H LEU A 43 4.290 -7.095 9.218 1.00 0.00 H new ATOM 0 HA LEU A 43 1.870 -7.646 10.786 1.00 0.00 H new ATOM 0 HB2 LEU A 43 2.565 -5.790 8.889 1.00 0.00 H new ATOM 0 HB3 LEU A 43 1.777 -7.006 7.904 1.00 0.00 H new ATOM 0 HG LEU A 43 -0.251 -6.843 9.296 1.00 0.00 H new ATOM 0 HD11 LEU A 43 -0.460 -5.031 10.954 1.00 0.00 H new ATOM 0 HD12 LEU A 43 0.793 -6.206 11.419 1.00 0.00 H new ATOM 0 HD13 LEU A 43 1.260 -4.633 10.730 1.00 0.00 H new ATOM 0 HD21 LEU A 43 -0.921 -4.579 8.572 1.00 0.00 H new ATOM 0 HD22 LEU A 43 0.786 -4.176 8.272 1.00 0.00 H new ATOM 0 HD23 LEU A 43 -0.015 -5.433 7.300 1.00 0.00 H new ATOM 678 N THR A 44 1.211 -9.825 9.880 1.00 0.00 N ATOM 679 CA THR A 44 0.886 -11.202 9.515 1.00 0.00 C ATOM 680 C THR A 44 0.157 -11.241 8.156 1.00 0.00 C ATOM 681 O THR A 44 -0.305 -10.208 7.687 1.00 0.00 O ATOM 682 CB THR A 44 -0.013 -11.830 10.612 1.00 0.00 C ATOM 683 OG1 THR A 44 0.395 -11.371 11.910 1.00 0.00 O ATOM 684 CG2 THR A 44 0.065 -13.348 10.601 1.00 0.00 C ATOM 0 H THR A 44 0.652 -9.466 10.655 1.00 0.00 H new ATOM 0 HA THR A 44 1.811 -11.773 9.430 1.00 0.00 H new ATOM 0 HB THR A 44 -1.037 -11.523 10.400 1.00 0.00 H new ATOM 0 HG1 THR A 44 -0.180 -11.772 12.595 1.00 0.00 H new ATOM 0 HG21 THR A 44 -0.578 -13.751 11.383 1.00 0.00 H new ATOM 0 HG22 THR A 44 -0.265 -13.722 9.632 1.00 0.00 H new ATOM 0 HG23 THR A 44 1.094 -13.661 10.780 1.00 0.00 H new ATOM 692 N ASP A 45 0.058 -12.434 7.555 1.00 0.00 N ATOM 693 CA ASP A 45 -0.598 -12.655 6.250 1.00 0.00 C ATOM 694 C ASP A 45 -2.021 -12.069 6.199 1.00 0.00 C ATOM 695 O ASP A 45 -2.371 -11.355 5.253 1.00 0.00 O ATOM 696 CB ASP A 45 -0.664 -14.159 5.991 1.00 0.00 C ATOM 697 CG ASP A 45 -1.091 -14.512 4.577 1.00 0.00 C ATOM 698 OD1 ASP A 45 -2.302 -14.573 4.307 1.00 0.00 O ATOM 699 OD2 ASP A 45 -0.201 -14.759 3.741 1.00 0.00 O ATOM 0 H ASP A 45 0.436 -13.289 7.964 1.00 0.00 H new ATOM 0 HA ASP A 45 -0.011 -12.145 5.486 1.00 0.00 H new ATOM 0 HB2 ASP A 45 0.315 -14.597 6.186 1.00 0.00 H new ATOM 0 HB3 ASP A 45 -1.362 -14.611 6.696 1.00 0.00 H new ATOM 704 N GLU A 46 -2.807 -12.372 7.235 1.00 0.00 N ATOM 705 CA GLU A 46 -4.170 -11.865 7.379 1.00 0.00 C ATOM 706 C GLU A 46 -4.170 -10.355 7.599 1.00 0.00 C ATOM 707 O GLU A 46 -4.935 -9.652 6.968 1.00 0.00 O ATOM 708 CB GLU A 46 -4.896 -12.533 8.566 1.00 0.00 C ATOM 709 CG GLU A 46 -5.197 -14.027 8.415 1.00 0.00 C ATOM 710 CD GLU A 46 -3.982 -14.927 8.614 1.00 0.00 C ATOM 711 OE1 GLU A 46 -3.019 -14.508 9.297 1.00 0.00 O ATOM 712 OE2 GLU A 46 -3.987 -16.057 8.094 1.00 0.00 O ATOM 0 H GLU A 46 -2.513 -12.979 8.000 1.00 0.00 H new ATOM 0 HA GLU A 46 -4.695 -12.103 6.454 1.00 0.00 H new ATOM 0 HB2 GLU A 46 -4.290 -12.393 9.461 1.00 0.00 H new ATOM 0 HB3 GLU A 46 -5.837 -12.008 8.732 1.00 0.00 H new ATOM 0 HG2 GLU A 46 -5.966 -14.307 9.135 1.00 0.00 H new ATOM 0 HG3 GLU A 46 -5.610 -14.206 7.422 1.00 0.00 H new ATOM 719 N GLU A 47 -3.263 -9.880 8.464 1.00 0.00 N ATOM 720 CA GLU A 47 -3.199 -8.468 8.877 1.00 0.00 C ATOM 721 C GLU A 47 -2.800 -7.521 7.740 1.00 0.00 C ATOM 722 O GLU A 47 -3.238 -6.368 7.707 1.00 0.00 O ATOM 723 CB GLU A 47 -2.214 -8.312 10.037 1.00 0.00 C ATOM 724 CG GLU A 47 -2.580 -9.114 11.273 1.00 0.00 C ATOM 725 CD GLU A 47 -3.867 -8.641 11.913 1.00 0.00 C ATOM 726 OE1 GLU A 47 -4.943 -9.134 11.530 1.00 0.00 O ATOM 727 OE2 GLU A 47 -3.805 -7.788 12.819 1.00 0.00 O ATOM 0 H GLU A 47 -2.550 -10.465 8.899 1.00 0.00 H new ATOM 0 HA GLU A 47 -4.206 -8.188 9.186 1.00 0.00 H new ATOM 0 HB2 GLU A 47 -1.222 -8.615 9.701 1.00 0.00 H new ATOM 0 HB3 GLU A 47 -2.151 -7.258 10.307 1.00 0.00 H new ATOM 0 HG2 GLU A 47 -2.678 -10.166 11.004 1.00 0.00 H new ATOM 0 HG3 GLU A 47 -1.770 -9.045 11.999 1.00 0.00 H new ATOM 734 N VAL A 48 -1.961 -8.008 6.816 1.00 0.00 N ATOM 735 CA VAL A 48 -1.582 -7.243 5.626 1.00 0.00 C ATOM 736 C VAL A 48 -2.772 -7.135 4.678 1.00 0.00 C ATOM 737 O VAL A 48 -3.033 -6.066 4.141 1.00 0.00 O ATOM 738 CB VAL A 48 -0.376 -7.874 4.874 1.00 0.00 C ATOM 739 CG1 VAL A 48 -0.028 -7.099 3.618 1.00 0.00 C ATOM 740 CG2 VAL A 48 0.849 -7.941 5.752 1.00 0.00 C ATOM 0 H VAL A 48 -1.532 -8.932 6.873 1.00 0.00 H new ATOM 0 HA VAL A 48 -1.278 -6.252 5.964 1.00 0.00 H new ATOM 0 HB VAL A 48 -0.684 -8.883 4.600 1.00 0.00 H new ATOM 0 HG11 VAL A 48 0.819 -7.572 3.122 1.00 0.00 H new ATOM 0 HG12 VAL A 48 -0.885 -7.093 2.945 1.00 0.00 H new ATOM 0 HG13 VAL A 48 0.233 -6.074 3.883 1.00 0.00 H new ATOM 0 HG21 VAL A 48 1.672 -8.387 5.194 1.00 0.00 H new ATOM 0 HG22 VAL A 48 1.127 -6.935 6.066 1.00 0.00 H new ATOM 0 HG23 VAL A 48 0.634 -8.549 6.631 1.00 0.00 H new ATOM 750 N ASP A 49 -3.502 -8.246 4.520 1.00 0.00 N ATOM 751 CA ASP A 49 -4.697 -8.293 3.679 1.00 0.00 C ATOM 752 C ASP A 49 -5.796 -7.371 4.221 1.00 0.00 C ATOM 753 O ASP A 49 -6.514 -6.751 3.440 1.00 0.00 O ATOM 754 CB ASP A 49 -5.203 -9.733 3.573 1.00 0.00 C ATOM 755 CG ASP A 49 -6.427 -9.866 2.685 1.00 0.00 C ATOM 756 OD1 ASP A 49 -6.284 -9.736 1.452 1.00 0.00 O ATOM 757 OD2 ASP A 49 -7.533 -10.094 3.215 1.00 0.00 O ATOM 0 H ASP A 49 -3.279 -9.133 4.971 1.00 0.00 H new ATOM 0 HA ASP A 49 -4.431 -7.937 2.684 1.00 0.00 H new ATOM 0 HB2 ASP A 49 -4.406 -10.365 3.181 1.00 0.00 H new ATOM 0 HB3 ASP A 49 -5.442 -10.103 4.570 1.00 0.00 H new ATOM 762 N GLU A 50 -5.880 -7.256 5.561 1.00 0.00 N ATOM 763 CA GLU A 50 -6.813 -6.333 6.219 1.00 0.00 C ATOM 764 C GLU A 50 -6.503 -4.882 5.866 1.00 0.00 C ATOM 765 O GLU A 50 -7.408 -4.095 5.627 1.00 0.00 O ATOM 766 CB GLU A 50 -6.756 -6.437 7.746 1.00 0.00 C ATOM 767 CG GLU A 50 -6.996 -7.812 8.332 1.00 0.00 C ATOM 768 CD GLU A 50 -8.392 -8.309 8.098 1.00 0.00 C ATOM 769 OE1 GLU A 50 -9.303 -7.899 8.846 1.00 0.00 O ATOM 770 OE2 GLU A 50 -8.590 -9.113 7.174 1.00 0.00 O ATOM 0 H GLU A 50 -5.307 -7.797 6.209 1.00 0.00 H new ATOM 0 HA GLU A 50 -7.802 -6.621 5.861 1.00 0.00 H new ATOM 0 HB2 GLU A 50 -5.777 -6.090 8.077 1.00 0.00 H new ATOM 0 HB3 GLU A 50 -7.495 -5.753 8.164 1.00 0.00 H new ATOM 0 HG2 GLU A 50 -6.287 -8.516 7.897 1.00 0.00 H new ATOM 0 HG3 GLU A 50 -6.800 -7.784 9.404 1.00 0.00 H new ATOM 777 N MET A 51 -5.217 -4.539 5.848 1.00 0.00 N ATOM 778 CA MET A 51 -4.787 -3.169 5.574 1.00 0.00 C ATOM 779 C MET A 51 -4.838 -2.841 4.089 1.00 0.00 C ATOM 780 O MET A 51 -5.027 -1.681 3.723 1.00 0.00 O ATOM 781 CB MET A 51 -3.390 -2.922 6.124 1.00 0.00 C ATOM 782 CG MET A 51 -3.338 -2.879 7.641 1.00 0.00 C ATOM 783 SD MET A 51 -4.449 -1.642 8.351 1.00 0.00 S ATOM 784 CE MET A 51 -3.795 -0.125 7.653 1.00 0.00 C ATOM 0 H MET A 51 -4.453 -5.192 6.020 1.00 0.00 H new ATOM 0 HA MET A 51 -5.488 -2.505 6.081 1.00 0.00 H new ATOM 0 HB2 MET A 51 -2.723 -3.707 5.767 1.00 0.00 H new ATOM 0 HB3 MET A 51 -3.013 -1.979 5.728 1.00 0.00 H new ATOM 0 HG2 MET A 51 -3.597 -3.861 8.036 1.00 0.00 H new ATOM 0 HG3 MET A 51 -2.317 -2.667 7.958 1.00 0.00 H new ATOM 0 HE1 MET A 51 -4.238 0.731 8.163 1.00 0.00 H new ATOM 0 HE2 MET A 51 -2.713 -0.103 7.780 1.00 0.00 H new ATOM 0 HE3 MET A 51 -4.036 -0.079 6.591 1.00 0.00 H new ATOM 794 N ILE A 52 -4.663 -3.862 3.244 1.00 0.00 N ATOM 795 CA ILE A 52 -4.873 -3.722 1.804 1.00 0.00 C ATOM 796 C ILE A 52 -6.345 -3.419 1.524 1.00 0.00 C ATOM 797 O ILE A 52 -6.633 -2.422 0.897 1.00 0.00 O ATOM 798 CB ILE A 52 -4.403 -4.984 0.997 1.00 0.00 C ATOM 799 CG1 ILE A 52 -2.865 -5.120 1.015 1.00 0.00 C ATOM 800 CG2 ILE A 52 -4.903 -4.961 -0.450 1.00 0.00 C ATOM 801 CD1 ILE A 52 -2.106 -3.932 0.439 1.00 0.00 C ATOM 0 H ILE A 52 -4.376 -4.796 3.536 1.00 0.00 H new ATOM 0 HA ILE A 52 -4.257 -2.890 1.463 1.00 0.00 H new ATOM 0 HB ILE A 52 -4.841 -5.850 1.494 1.00 0.00 H new ATOM 0 HG12 ILE A 52 -2.541 -5.274 2.044 1.00 0.00 H new ATOM 0 HG13 ILE A 52 -2.588 -6.014 0.456 1.00 0.00 H new ATOM 0 HG21 ILE A 52 -4.554 -5.853 -0.970 1.00 0.00 H new ATOM 0 HG22 ILE A 52 -5.993 -4.940 -0.458 1.00 0.00 H new ATOM 0 HG23 ILE A 52 -4.519 -4.074 -0.954 1.00 0.00 H new ATOM 0 HD11 ILE A 52 -1.034 -4.123 0.496 1.00 0.00 H new ATOM 0 HD12 ILE A 52 -2.394 -3.787 -0.602 1.00 0.00 H new ATOM 0 HD13 ILE A 52 -2.346 -3.035 1.010 1.00 0.00 H new ATOM 813 N ARG A 53 -7.260 -4.229 2.074 1.00 0.00 N ATOM 814 CA ARG A 53 -8.699 -4.101 1.788 1.00 0.00 C ATOM 815 C ARG A 53 -9.328 -2.856 2.451 1.00 0.00 C ATOM 816 O ARG A 53 -10.361 -2.368 1.993 1.00 0.00 O ATOM 817 CB ARG A 53 -9.450 -5.387 2.198 1.00 0.00 C ATOM 818 CG ARG A 53 -9.560 -5.637 3.700 1.00 0.00 C ATOM 819 CD ARG A 53 -10.014 -7.057 3.992 1.00 0.00 C ATOM 820 NE ARG A 53 -10.320 -7.284 5.406 1.00 0.00 N ATOM 821 CZ ARG A 53 -11.522 -7.654 5.872 1.00 0.00 C ATOM 822 NH1 ARG A 53 -12.575 -7.719 5.062 1.00 0.00 N ATOM 823 NH2 ARG A 53 -11.659 -7.959 7.152 1.00 0.00 N ATOM 0 H ARG A 53 -7.030 -4.983 2.722 1.00 0.00 H new ATOM 0 HA ARG A 53 -8.800 -3.964 0.711 1.00 0.00 H new ATOM 0 HB2 ARG A 53 -10.456 -5.348 1.780 1.00 0.00 H new ATOM 0 HB3 ARG A 53 -8.948 -6.240 1.742 1.00 0.00 H new ATOM 0 HG2 ARG A 53 -8.594 -5.457 4.172 1.00 0.00 H new ATOM 0 HG3 ARG A 53 -10.265 -4.930 4.138 1.00 0.00 H new ATOM 0 HD2 ARG A 53 -10.899 -7.279 3.395 1.00 0.00 H new ATOM 0 HD3 ARG A 53 -9.235 -7.752 3.679 1.00 0.00 H new ATOM 0 HE ARG A 53 -9.568 -7.152 6.082 1.00 0.00 H new ATOM 0 HH11 ARG A 53 -12.474 -7.486 4.074 1.00 0.00 H new ATOM 0 HH12 ARG A 53 -13.484 -8.002 5.429 1.00 0.00 H new ATOM 0 HH21 ARG A 53 -10.854 -7.912 7.777 1.00 0.00 H new ATOM 0 HH22 ARG A 53 -12.570 -8.241 7.514 1.00 0.00 H new ATOM 837 N GLU A 54 -8.686 -2.348 3.511 1.00 0.00 N ATOM 838 CA GLU A 54 -9.143 -1.141 4.203 1.00 0.00 C ATOM 839 C GLU A 54 -8.762 0.114 3.407 1.00 0.00 C ATOM 840 O GLU A 54 -9.502 1.101 3.386 1.00 0.00 O ATOM 841 CB GLU A 54 -8.507 -1.076 5.601 1.00 0.00 C ATOM 842 CG GLU A 54 -9.146 -0.067 6.547 1.00 0.00 C ATOM 843 CD GLU A 54 -10.578 -0.420 6.897 1.00 0.00 C ATOM 844 OE1 GLU A 54 -10.787 -1.339 7.715 1.00 0.00 O ATOM 845 OE2 GLU A 54 -11.498 0.213 6.345 1.00 0.00 O ATOM 0 H GLU A 54 -7.842 -2.760 3.909 1.00 0.00 H new ATOM 0 HA GLU A 54 -10.228 -1.181 4.294 1.00 0.00 H new ATOM 0 HB2 GLU A 54 -8.562 -2.065 6.056 1.00 0.00 H new ATOM 0 HB3 GLU A 54 -7.450 -0.833 5.493 1.00 0.00 H new ATOM 0 HG2 GLU A 54 -8.556 -0.009 7.462 1.00 0.00 H new ATOM 0 HG3 GLU A 54 -9.121 0.921 6.088 1.00 0.00 H new ATOM 852 N ALA A 55 -7.615 0.054 2.739 1.00 0.00 N ATOM 853 CA ALA A 55 -7.095 1.185 1.982 1.00 0.00 C ATOM 854 C ALA A 55 -7.530 1.147 0.516 1.00 0.00 C ATOM 855 O ALA A 55 -7.506 2.172 -0.171 1.00 0.00 O ATOM 856 CB ALA A 55 -5.585 1.192 2.076 1.00 0.00 C ATOM 0 H ALA A 55 -7.023 -0.776 2.707 1.00 0.00 H new ATOM 0 HA ALA A 55 -7.504 2.098 2.414 1.00 0.00 H new ATOM 0 HB1 ALA A 55 -5.189 2.036 1.511 1.00 0.00 H new ATOM 0 HB2 ALA A 55 -5.286 1.282 3.120 1.00 0.00 H new ATOM 0 HB3 ALA A 55 -5.190 0.263 1.664 1.00 0.00 H new ATOM 862 N ASP A 56 -7.927 -0.035 0.058 1.00 0.00 N ATOM 863 CA ASP A 56 -8.328 -0.254 -1.325 1.00 0.00 C ATOM 864 C ASP A 56 -9.789 0.133 -1.508 1.00 0.00 C ATOM 865 O ASP A 56 -10.674 -0.372 -0.813 1.00 0.00 O ATOM 866 CB ASP A 56 -8.115 -1.720 -1.715 1.00 0.00 C ATOM 867 CG ASP A 56 -7.893 -1.904 -3.195 1.00 0.00 C ATOM 868 OD1 ASP A 56 -6.835 -1.536 -3.683 1.00 0.00 O ATOM 869 OD2 ASP A 56 -8.773 -2.400 -3.887 1.00 0.00 O ATOM 0 H ASP A 56 -7.980 -0.872 0.639 1.00 0.00 H new ATOM 0 HA ASP A 56 -7.713 0.369 -1.974 1.00 0.00 H new ATOM 0 HB2 ASP A 56 -7.257 -2.115 -1.172 1.00 0.00 H new ATOM 0 HB3 ASP A 56 -8.983 -2.303 -1.407 1.00 0.00 H new ATOM 874 N ILE A 57 -10.013 1.037 -2.437 1.00 0.00 N ATOM 875 CA ILE A 57 -11.321 1.612 -2.695 1.00 0.00 C ATOM 876 C ILE A 57 -12.191 0.652 -3.530 1.00 0.00 C ATOM 877 O ILE A 57 -13.370 0.452 -3.230 1.00 0.00 O ATOM 878 CB ILE A 57 -11.165 2.979 -3.428 1.00 0.00 C ATOM 879 CG1 ILE A 57 -10.256 3.933 -2.621 1.00 0.00 C ATOM 880 CG2 ILE A 57 -12.523 3.635 -3.673 1.00 0.00 C ATOM 881 CD1 ILE A 57 -9.926 5.222 -3.342 1.00 0.00 C ATOM 0 H ILE A 57 -9.280 1.401 -3.046 1.00 0.00 H new ATOM 0 HA ILE A 57 -11.821 1.775 -1.740 1.00 0.00 H new ATOM 0 HB ILE A 57 -10.700 2.782 -4.394 1.00 0.00 H new ATOM 0 HG12 ILE A 57 -10.744 4.171 -1.676 1.00 0.00 H new ATOM 0 HG13 ILE A 57 -9.328 3.416 -2.378 1.00 0.00 H new ATOM 0 HG21 ILE A 57 -12.380 4.586 -4.186 1.00 0.00 H new ATOM 0 HG22 ILE A 57 -13.138 2.979 -4.289 1.00 0.00 H new ATOM 0 HG23 ILE A 57 -13.021 3.808 -2.719 1.00 0.00 H new ATOM 0 HD11 ILE A 57 -9.285 5.838 -2.711 1.00 0.00 H new ATOM 0 HD12 ILE A 57 -9.408 4.995 -4.274 1.00 0.00 H new ATOM 0 HD13 ILE A 57 -10.847 5.763 -3.561 1.00 0.00 H new ATOM 893 N ASP A 58 -11.598 0.033 -4.549 1.00 0.00 N ATOM 894 CA ASP A 58 -12.374 -0.746 -5.519 1.00 0.00 C ATOM 895 C ASP A 58 -12.446 -2.255 -5.176 1.00 0.00 C ATOM 896 O ASP A 58 -13.275 -2.973 -5.735 1.00 0.00 O ATOM 897 CB ASP A 58 -11.776 -0.553 -6.933 1.00 0.00 C ATOM 898 CG ASP A 58 -10.279 -0.841 -6.994 1.00 0.00 C ATOM 899 OD1 ASP A 58 -9.858 -1.869 -6.505 1.00 0.00 O ATOM 900 OD2 ASP A 58 -9.499 -0.028 -7.513 1.00 0.00 O ATOM 0 H ASP A 58 -10.594 0.053 -4.726 1.00 0.00 H new ATOM 0 HA ASP A 58 -13.397 -0.372 -5.483 1.00 0.00 H new ATOM 0 HB2 ASP A 58 -12.295 -1.208 -7.633 1.00 0.00 H new ATOM 0 HB3 ASP A 58 -11.957 0.471 -7.261 1.00 0.00 H new ATOM 905 N GLY A 59 -11.612 -2.702 -4.222 1.00 0.00 N ATOM 906 CA GLY A 59 -11.554 -4.112 -3.826 1.00 0.00 C ATOM 907 C GLY A 59 -10.989 -5.056 -4.895 1.00 0.00 C ATOM 908 O GLY A 59 -11.683 -5.982 -5.317 1.00 0.00 O ATOM 0 H GLY A 59 -10.967 -2.100 -3.710 1.00 0.00 H new ATOM 0 HA2 GLY A 59 -10.944 -4.198 -2.926 1.00 0.00 H new ATOM 0 HA3 GLY A 59 -12.559 -4.443 -3.563 1.00 0.00 H new ATOM 912 N ASP A 60 -9.746 -4.830 -5.340 1.00 0.00 N ATOM 913 CA ASP A 60 -9.112 -5.724 -6.325 1.00 0.00 C ATOM 914 C ASP A 60 -7.889 -6.449 -5.748 1.00 0.00 C ATOM 915 O ASP A 60 -7.420 -7.434 -6.324 1.00 0.00 O ATOM 916 CB ASP A 60 -8.720 -4.965 -7.620 1.00 0.00 C ATOM 917 CG ASP A 60 -7.833 -3.734 -7.400 1.00 0.00 C ATOM 918 OD1 ASP A 60 -7.237 -3.585 -6.340 1.00 0.00 O ATOM 919 OD2 ASP A 60 -7.785 -2.854 -8.265 1.00 0.00 O ATOM 0 H ASP A 60 -9.164 -4.048 -5.040 1.00 0.00 H new ATOM 0 HA ASP A 60 -9.859 -6.476 -6.578 1.00 0.00 H new ATOM 0 HB2 ASP A 60 -8.201 -5.655 -8.286 1.00 0.00 H new ATOM 0 HB3 ASP A 60 -9.631 -4.653 -8.131 1.00 0.00 H new ATOM 924 N GLY A 61 -7.376 -5.963 -4.614 1.00 0.00 N ATOM 925 CA GLY A 61 -6.192 -6.562 -4.013 1.00 0.00 C ATOM 926 C GLY A 61 -4.908 -5.745 -4.191 1.00 0.00 C ATOM 927 O GLY A 61 -3.899 -6.046 -3.546 1.00 0.00 O ATOM 0 H GLY A 61 -7.759 -5.167 -4.103 1.00 0.00 H new ATOM 0 HA2 GLY A 61 -6.373 -6.704 -2.948 1.00 0.00 H new ATOM 0 HA3 GLY A 61 -6.041 -7.551 -4.445 1.00 0.00 H new ATOM 931 N GLN A 62 -4.926 -4.732 -5.068 1.00 0.00 N ATOM 932 CA GLN A 62 -3.775 -3.831 -5.229 1.00 0.00 C ATOM 933 C GLN A 62 -4.211 -2.383 -5.185 1.00 0.00 C ATOM 934 O GLN A 62 -5.131 -1.947 -5.885 1.00 0.00 O ATOM 935 CB GLN A 62 -3.004 -4.024 -6.526 1.00 0.00 C ATOM 936 CG GLN A 62 -2.493 -5.430 -6.774 1.00 0.00 C ATOM 937 CD GLN A 62 -1.459 -5.477 -7.881 1.00 0.00 C ATOM 938 OE1 GLN A 62 -0.259 -5.347 -7.632 1.00 0.00 O ATOM 939 NE2 GLN A 62 -1.910 -5.661 -9.107 1.00 0.00 N ATOM 0 H GLN A 62 -5.718 -4.516 -5.673 1.00 0.00 H new ATOM 0 HA GLN A 62 -3.118 -4.084 -4.397 1.00 0.00 H new ATOM 0 HB2 GLN A 62 -3.647 -3.737 -7.358 1.00 0.00 H new ATOM 0 HB3 GLN A 62 -2.155 -3.341 -6.530 1.00 0.00 H new ATOM 0 HG2 GLN A 62 -2.057 -5.824 -5.856 1.00 0.00 H new ATOM 0 HG3 GLN A 62 -3.330 -6.078 -7.033 1.00 0.00 H new ATOM 0 HE21 GLN A 62 -2.911 -5.764 -9.272 1.00 0.00 H new ATOM 0 HE22 GLN A 62 -1.257 -5.700 -9.890 1.00 0.00 H new ATOM 948 N VAL A 63 -3.444 -1.642 -4.443 1.00 0.00 N ATOM 949 CA VAL A 63 -3.731 -0.277 -4.095 1.00 0.00 C ATOM 950 C VAL A 63 -3.024 0.601 -5.104 1.00 0.00 C ATOM 951 O VAL A 63 -1.797 0.664 -5.129 1.00 0.00 O ATOM 952 CB VAL A 63 -3.253 0.044 -2.643 1.00 0.00 C ATOM 953 CG1 VAL A 63 -3.554 1.485 -2.246 1.00 0.00 C ATOM 954 CG2 VAL A 63 -3.886 -0.913 -1.637 1.00 0.00 C ATOM 0 H VAL A 63 -2.567 -1.982 -4.047 1.00 0.00 H new ATOM 0 HA VAL A 63 -4.806 -0.096 -4.118 1.00 0.00 H new ATOM 0 HB VAL A 63 -2.171 -0.088 -2.631 1.00 0.00 H new ATOM 0 HG11 VAL A 63 -3.204 1.663 -1.229 1.00 0.00 H new ATOM 0 HG12 VAL A 63 -3.044 2.165 -2.929 1.00 0.00 H new ATOM 0 HG13 VAL A 63 -4.629 1.659 -2.296 1.00 0.00 H new ATOM 0 HG21 VAL A 63 -3.537 -0.669 -0.634 1.00 0.00 H new ATOM 0 HG22 VAL A 63 -4.971 -0.818 -1.677 1.00 0.00 H new ATOM 0 HG23 VAL A 63 -3.602 -1.937 -1.881 1.00 0.00 H new ATOM 964 N ASN A 64 -3.807 1.239 -5.957 1.00 0.00 N ATOM 965 CA ASN A 64 -3.269 2.080 -7.021 1.00 0.00 C ATOM 966 C ASN A 64 -2.739 3.391 -6.432 1.00 0.00 C ATOM 967 O ASN A 64 -2.737 3.590 -5.210 1.00 0.00 O ATOM 968 CB ASN A 64 -4.334 2.447 -8.075 1.00 0.00 C ATOM 969 CG ASN A 64 -5.393 1.399 -8.394 1.00 0.00 C ATOM 970 OD1 ASN A 64 -5.179 0.193 -8.319 1.00 0.00 O ATOM 971 ND2 ASN A 64 -6.572 1.876 -8.756 1.00 0.00 N ATOM 0 H ASN A 64 -4.826 1.192 -5.935 1.00 0.00 H new ATOM 0 HA ASN A 64 -2.476 1.505 -7.500 1.00 0.00 H new ATOM 0 HB2 ASN A 64 -4.844 3.350 -7.739 1.00 0.00 H new ATOM 0 HB3 ASN A 64 -3.818 2.698 -9.002 1.00 0.00 H new ATOM 0 HD21 ASN A 64 -7.334 1.236 -8.982 1.00 0.00 H new ATOM 0 HD22 ASN A 64 -6.720 2.884 -8.809 1.00 0.00 H new ATOM 978 N TYR A 65 -2.332 4.297 -7.316 1.00 0.00 N ATOM 979 CA TYR A 65 -1.903 5.630 -6.918 1.00 0.00 C ATOM 980 C TYR A 65 -3.068 6.383 -6.267 1.00 0.00 C ATOM 981 O TYR A 65 -2.938 6.869 -5.154 1.00 0.00 O ATOM 982 CB TYR A 65 -1.357 6.394 -8.135 1.00 0.00 C ATOM 983 CG TYR A 65 -1.073 7.854 -7.863 1.00 0.00 C ATOM 984 CD1 TYR A 65 0.068 8.247 -7.180 1.00 0.00 C ATOM 985 CD2 TYR A 65 -1.969 8.835 -8.268 1.00 0.00 C ATOM 986 CE1 TYR A 65 0.311 9.578 -6.910 1.00 0.00 C ATOM 987 CE2 TYR A 65 -1.731 10.167 -8.010 1.00 0.00 C ATOM 988 CZ TYR A 65 -0.591 10.535 -7.326 1.00 0.00 C ATOM 989 OH TYR A 65 -0.361 11.864 -7.048 1.00 0.00 O ATOM 0 H TYR A 65 -2.291 4.128 -8.321 1.00 0.00 H new ATOM 0 HA TYR A 65 -1.101 5.547 -6.184 1.00 0.00 H new ATOM 0 HB2 TYR A 65 -0.440 5.912 -8.473 1.00 0.00 H new ATOM 0 HB3 TYR A 65 -2.076 6.319 -8.951 1.00 0.00 H new ATOM 0 HD1 TYR A 65 0.777 7.500 -6.855 1.00 0.00 H new ATOM 0 HD2 TYR A 65 -2.868 8.549 -8.794 1.00 0.00 H new ATOM 0 HE1 TYR A 65 1.203 9.869 -6.376 1.00 0.00 H new ATOM 0 HE2 TYR A 65 -2.432 10.918 -8.341 1.00 0.00 H new ATOM 0 HH TYR A 65 -1.092 12.406 -7.412 1.00 0.00 H new ATOM 999 N GLU A 66 -4.211 6.400 -6.964 1.00 0.00 N ATOM 1000 CA GLU A 66 -5.442 7.072 -6.519 1.00 0.00 C ATOM 1001 C GLU A 66 -5.980 6.518 -5.194 1.00 0.00 C ATOM 1002 O GLU A 66 -6.501 7.270 -4.371 1.00 0.00 O ATOM 1003 CB GLU A 66 -6.523 6.947 -7.608 1.00 0.00 C ATOM 1004 CG GLU A 66 -6.677 5.540 -8.160 1.00 0.00 C ATOM 1005 CD GLU A 66 -6.124 5.385 -9.559 1.00 0.00 C ATOM 1006 OE1 GLU A 66 -4.885 5.381 -9.710 1.00 0.00 O ATOM 1007 OE2 GLU A 66 -6.919 5.242 -10.501 1.00 0.00 O ATOM 0 H GLU A 66 -4.310 5.940 -7.869 1.00 0.00 H new ATOM 0 HA GLU A 66 -5.190 8.119 -6.349 1.00 0.00 H new ATOM 0 HB2 GLU A 66 -7.479 7.273 -7.197 1.00 0.00 H new ATOM 0 HB3 GLU A 66 -6.281 7.624 -8.427 1.00 0.00 H new ATOM 0 HG2 GLU A 66 -6.171 4.839 -7.496 1.00 0.00 H new ATOM 0 HG3 GLU A 66 -7.733 5.271 -8.162 1.00 0.00 H new ATOM 1014 N GLU A 67 -5.809 5.211 -4.988 1.00 0.00 N ATOM 1015 CA GLU A 67 -6.305 4.530 -3.798 1.00 0.00 C ATOM 1016 C GLU A 67 -5.438 4.824 -2.587 1.00 0.00 C ATOM 1017 O GLU A 67 -5.925 4.845 -1.454 1.00 0.00 O ATOM 1018 CB GLU A 67 -6.366 3.037 -4.062 1.00 0.00 C ATOM 1019 CG GLU A 67 -7.429 2.682 -5.071 1.00 0.00 C ATOM 1020 CD GLU A 67 -7.591 1.204 -5.242 1.00 0.00 C ATOM 1021 OE1 GLU A 67 -6.688 0.554 -5.767 1.00 0.00 O ATOM 1022 OE2 GLU A 67 -8.633 0.676 -4.863 1.00 0.00 O ATOM 0 H GLU A 67 -5.323 4.598 -5.643 1.00 0.00 H new ATOM 0 HA GLU A 67 -7.306 4.901 -3.577 1.00 0.00 H new ATOM 0 HB2 GLU A 67 -5.396 2.693 -4.422 1.00 0.00 H new ATOM 0 HB3 GLU A 67 -6.564 2.512 -3.128 1.00 0.00 H new ATOM 0 HG2 GLU A 67 -8.380 3.114 -4.759 1.00 0.00 H new ATOM 0 HG3 GLU A 67 -7.176 3.129 -6.032 1.00 0.00 H new ATOM 1029 N PHE A 68 -4.158 5.075 -2.838 1.00 0.00 N ATOM 1030 CA PHE A 68 -3.239 5.475 -1.796 1.00 0.00 C ATOM 1031 C PHE A 68 -3.496 6.929 -1.415 1.00 0.00 C ATOM 1032 O PHE A 68 -3.536 7.230 -0.239 1.00 0.00 O ATOM 1033 CB PHE A 68 -1.789 5.255 -2.257 1.00 0.00 C ATOM 1034 CG PHE A 68 -0.740 5.370 -1.174 1.00 0.00 C ATOM 1035 CD1 PHE A 68 -0.496 4.320 -0.308 1.00 0.00 C ATOM 1036 CD2 PHE A 68 0.014 6.519 -1.035 1.00 0.00 C ATOM 1037 CE1 PHE A 68 0.471 4.418 0.675 1.00 0.00 C ATOM 1038 CE2 PHE A 68 0.979 6.625 -0.055 1.00 0.00 C ATOM 1039 CZ PHE A 68 1.208 5.573 0.801 1.00 0.00 C ATOM 0 H PHE A 68 -3.737 5.006 -3.765 1.00 0.00 H new ATOM 0 HA PHE A 68 -3.399 4.861 -0.910 1.00 0.00 H new ATOM 0 HB2 PHE A 68 -1.715 4.265 -2.707 1.00 0.00 H new ATOM 0 HB3 PHE A 68 -1.560 5.979 -3.039 1.00 0.00 H new ATOM 0 HD1 PHE A 68 -1.070 3.410 -0.401 1.00 0.00 H new ATOM 0 HD2 PHE A 68 -0.155 7.349 -1.705 1.00 0.00 H new ATOM 0 HE1 PHE A 68 0.648 3.589 1.344 1.00 0.00 H new ATOM 0 HE2 PHE A 68 1.555 7.534 0.040 1.00 0.00 H new ATOM 0 HZ PHE A 68 1.963 5.653 1.569 1.00 0.00 H new ATOM 1049 N VAL A 69 -3.752 7.798 -2.406 1.00 0.00 N ATOM 1050 CA VAL A 69 -3.941 9.234 -2.154 1.00 0.00 C ATOM 1051 C VAL A 69 -5.208 9.495 -1.350 1.00 0.00 C ATOM 1052 O VAL A 69 -5.149 10.214 -0.361 1.00 0.00 O ATOM 1053 CB VAL A 69 -3.979 10.090 -3.459 1.00 0.00 C ATOM 1054 CG1 VAL A 69 -4.121 11.573 -3.141 1.00 0.00 C ATOM 1055 CG2 VAL A 69 -2.736 9.881 -4.299 1.00 0.00 C ATOM 0 H VAL A 69 -3.833 7.531 -3.387 1.00 0.00 H new ATOM 0 HA VAL A 69 -3.068 9.542 -1.579 1.00 0.00 H new ATOM 0 HB VAL A 69 -4.849 9.758 -4.026 1.00 0.00 H new ATOM 0 HG11 VAL A 69 -4.145 12.144 -4.069 1.00 0.00 H new ATOM 0 HG12 VAL A 69 -5.046 11.740 -2.589 1.00 0.00 H new ATOM 0 HG13 VAL A 69 -3.274 11.898 -2.537 1.00 0.00 H new ATOM 0 HG21 VAL A 69 -2.798 10.493 -5.199 1.00 0.00 H new ATOM 0 HG22 VAL A 69 -1.856 10.169 -3.724 1.00 0.00 H new ATOM 0 HG23 VAL A 69 -2.659 8.830 -4.579 1.00 0.00 H new ATOM 1065 N GLN A 70 -6.325 8.864 -1.738 1.00 0.00 N ATOM 1066 CA GLN A 70 -7.608 9.095 -1.068 1.00 0.00 C ATOM 1067 C GLN A 70 -7.587 8.633 0.381 1.00 0.00 C ATOM 1068 O GLN A 70 -8.144 9.297 1.241 1.00 0.00 O ATOM 1069 CB GLN A 70 -8.756 8.390 -1.783 1.00 0.00 C ATOM 1070 CG GLN A 70 -9.115 8.961 -3.152 1.00 0.00 C ATOM 1071 CD GLN A 70 -9.404 10.456 -3.157 1.00 0.00 C ATOM 1072 OE1 GLN A 70 -9.872 11.027 -2.172 1.00 0.00 O ATOM 1073 NE2 GLN A 70 -9.148 11.093 -4.284 1.00 0.00 N ATOM 0 H GLN A 70 -6.364 8.195 -2.507 1.00 0.00 H new ATOM 0 HA GLN A 70 -7.767 10.173 -1.099 1.00 0.00 H new ATOM 0 HB2 GLN A 70 -8.498 7.338 -1.902 1.00 0.00 H new ATOM 0 HB3 GLN A 70 -9.640 8.431 -1.146 1.00 0.00 H new ATOM 0 HG2 GLN A 70 -8.295 8.760 -3.842 1.00 0.00 H new ATOM 0 HG3 GLN A 70 -9.989 8.434 -3.534 1.00 0.00 H new ATOM 0 HE21 GLN A 70 -8.760 10.586 -5.080 1.00 0.00 H new ATOM 0 HE22 GLN A 70 -9.338 12.092 -4.360 1.00 0.00 H new ATOM 1082 N HIS A 71 -6.895 7.525 0.636 1.00 0.00 N ATOM 1083 CA HIS A 71 -6.837 6.934 1.967 1.00 0.00 C ATOM 1084 C HIS A 71 -5.859 7.717 2.883 1.00 0.00 C ATOM 1085 O HIS A 71 -5.983 7.691 4.106 1.00 0.00 O ATOM 1086 CB HIS A 71 -6.515 5.409 1.814 1.00 0.00 C ATOM 1087 CG HIS A 71 -5.118 4.920 2.090 1.00 0.00 C ATOM 1088 ND1 HIS A 71 -4.310 4.405 1.111 1.00 0.00 N ATOM 1089 CD2 HIS A 71 -4.424 4.789 3.247 1.00 0.00 C ATOM 1090 CE1 HIS A 71 -3.185 3.982 1.646 1.00 0.00 C ATOM 1091 NE2 HIS A 71 -3.230 4.202 2.939 1.00 0.00 N ATOM 0 H HIS A 71 -6.363 7.016 -0.070 1.00 0.00 H new ATOM 0 HA HIS A 71 -7.798 7.011 2.475 1.00 0.00 H new ATOM 0 HB2 HIS A 71 -7.189 4.864 2.474 1.00 0.00 H new ATOM 0 HB3 HIS A 71 -6.767 5.122 0.793 1.00 0.00 H new ATOM 0 HD2 HIS A 71 -4.754 5.092 4.230 1.00 0.00 H new ATOM 0 HE1 HIS A 71 -2.363 3.530 1.111 1.00 0.00 H new ATOM 0 HE2 HIS A 71 -2.493 3.972 3.606 1.00 0.00 H new ATOM 1100 N MET A 72 -4.902 8.409 2.262 1.00 0.00 N ATOM 1101 CA MET A 72 -3.846 9.130 2.975 1.00 0.00 C ATOM 1102 C MET A 72 -4.217 10.587 3.244 1.00 0.00 C ATOM 1103 O MET A 72 -3.710 11.196 4.187 1.00 0.00 O ATOM 1104 CB MET A 72 -2.548 9.047 2.174 1.00 0.00 C ATOM 1105 CG MET A 72 -1.843 7.709 2.320 1.00 0.00 C ATOM 1106 SD MET A 72 -0.859 7.584 3.816 1.00 0.00 S ATOM 1107 CE MET A 72 0.492 8.690 3.416 1.00 0.00 C ATOM 0 H MET A 72 -4.837 8.485 1.247 1.00 0.00 H new ATOM 0 HA MET A 72 -3.713 8.656 3.947 1.00 0.00 H new ATOM 0 HB2 MET A 72 -2.766 9.223 1.121 1.00 0.00 H new ATOM 0 HB3 MET A 72 -1.877 9.842 2.498 1.00 0.00 H new ATOM 0 HG2 MET A 72 -2.587 6.912 2.315 1.00 0.00 H new ATOM 0 HG3 MET A 72 -1.199 7.549 1.455 1.00 0.00 H new ATOM 0 HE1 MET A 72 1.353 8.454 4.042 1.00 0.00 H new ATOM 0 HE2 MET A 72 0.762 8.570 2.367 1.00 0.00 H new ATOM 0 HE3 MET A 72 0.184 9.720 3.596 1.00 0.00 H new ATOM 1117 N THR A 73 -5.101 11.141 2.415 1.00 0.00 N ATOM 1118 CA THR A 73 -5.575 12.509 2.605 1.00 0.00 C ATOM 1119 C THR A 73 -6.817 12.535 3.493 1.00 0.00 C ATOM 1120 O THR A 73 -7.104 13.543 4.141 1.00 0.00 O ATOM 1121 CB THR A 73 -5.877 13.217 1.263 1.00 0.00 C ATOM 1122 OG1 THR A 73 -6.752 12.409 0.461 1.00 0.00 O ATOM 1123 CG2 THR A 73 -4.594 13.512 0.491 1.00 0.00 C ATOM 0 H THR A 73 -5.502 10.664 1.608 1.00 0.00 H new ATOM 0 HA THR A 73 -4.769 13.054 3.096 1.00 0.00 H new ATOM 0 HB THR A 73 -6.366 14.165 1.489 1.00 0.00 H new ATOM 0 HG1 THR A 73 -6.249 11.658 0.083 1.00 0.00 H new ATOM 0 HG21 THR A 73 -4.840 14.010 -0.447 1.00 0.00 H new ATOM 0 HG22 THR A 73 -3.951 14.159 1.087 1.00 0.00 H new ATOM 0 HG23 THR A 73 -4.073 12.578 0.280 1.00 0.00 H new ATOM 1131 N ALA A 74 -7.553 11.423 3.518 1.00 0.00 N ATOM 1132 CA ALA A 74 -8.696 11.287 4.405 1.00 0.00 C ATOM 1133 C ALA A 74 -8.233 10.956 5.816 1.00 0.00 C ATOM 1134 O ALA A 74 -7.208 10.291 6.008 1.00 0.00 O ATOM 1135 CB ALA A 74 -9.665 10.227 3.904 1.00 0.00 C ATOM 0 H ALA A 74 -7.374 10.607 2.933 1.00 0.00 H new ATOM 0 HA ALA A 74 -9.223 12.241 4.419 1.00 0.00 H new ATOM 0 HB1 ALA A 74 -10.508 10.151 4.591 1.00 0.00 H new ATOM 0 HB2 ALA A 74 -10.027 10.504 2.914 1.00 0.00 H new ATOM 0 HB3 ALA A 74 -9.155 9.265 3.848 1.00 0.00 H new ATOM 1141 N LYS A 75 -8.990 11.445 6.790 1.00 0.00 N ATOM 1142 CA LYS A 75 -8.677 11.259 8.202 1.00 0.00 C ATOM 1143 C LYS A 75 -8.957 9.823 8.647 1.00 0.00 C ATOM 1144 O LYS A 75 -8.030 9.092 8.997 1.00 0.00 O ATOM 1145 CB LYS A 75 -9.502 12.240 9.032 1.00 0.00 C ATOM 1146 CG LYS A 75 -9.116 12.299 10.507 1.00 0.00 C ATOM 1147 CD LYS A 75 -10.047 13.209 11.300 1.00 0.00 C ATOM 1148 CE LYS A 75 -11.466 12.659 11.344 1.00 0.00 C ATOM 1149 NZ LYS A 75 -12.378 13.528 12.125 1.00 0.00 N ATOM 0 H LYS A 75 -9.840 11.983 6.623 1.00 0.00 H new ATOM 0 HA LYS A 75 -7.615 11.450 8.354 1.00 0.00 H new ATOM 0 HB2 LYS A 75 -9.399 13.236 8.602 1.00 0.00 H new ATOM 0 HB3 LYS A 75 -10.554 11.967 8.955 1.00 0.00 H new ATOM 0 HG2 LYS A 75 -9.142 11.295 10.930 1.00 0.00 H new ATOM 0 HG3 LYS A 75 -8.091 12.658 10.600 1.00 0.00 H new ATOM 0 HD2 LYS A 75 -9.668 13.321 12.316 1.00 0.00 H new ATOM 0 HD3 LYS A 75 -10.055 14.202 10.851 1.00 0.00 H new ATOM 0 HE2 LYS A 75 -11.846 12.556 10.328 1.00 0.00 H new ATOM 0 HE3 LYS A 75 -11.454 11.661 11.782 1.00 0.00 H new ATOM 0 HZ1 LYS A 75 -13.333 13.115 12.128 1.00 0.00 H new ATOM 0 HZ2 LYS A 75 -12.031 13.606 13.102 1.00 0.00 H new ATOM 0 HZ3 LYS A 75 -12.411 14.473 11.693 1.00 0.00 H new TER 1163 LYS A 75 HETATM 1164 CA CA A 76 4.558 -2.204 -6.500 1.00 0.00 CA HETATM 1165 CA CA A 77 -7.718 -1.411 -6.041 1.00 0.00 CA