USER MOD reduce.3.24.130724 H: found=0, std=0, add=694, rem=0, adj=22 USER MOD reduce.3.24.130724 removed 695 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 51 THR OG1 : rot 180:sc= 0 USER MOD Set 1.2: A 82 THR OG1 : rot 70:sc= -2.36 USER MOD Set 2.1: A 27 CYS SG : rot -94:sc= -1.39 USER MOD Set 2.2: A 66 CYS SG : rot 93:sc= 0.715 USER MOD Set 3.1: A 23 ASN : amide:sc= -3.91! C(o=-7.5!,f=-8.3!) USER MOD Set 3.2: A 28 THR OG1 : rot -160:sc= -3.55! USER MOD Set 4.1: A 5 ASN : amide:sc= -2.26 K(o=-2.4,f=-3!) USER MOD Set 4.2: A 78 SER OG : rot 180:sc= -0.168 USER MOD Single : A 1 LEU N :NH3+ -148:sc= -1.2 (180deg=-2.91!) USER MOD Single : A 3 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 9 MET CE :methyl -142:sc= -0.101 (180deg=-0.16) USER MOD Single : A 10 LYS NZ :NH3+ -136:sc= -0.217 (180deg=-3.49!) USER MOD Single : A 11 LYS NZ :NH3+ 139:sc= 1.29 (180deg=-0.326) USER MOD Single : A 14 LYS NZ :NH3+ -144:sc= -0.0495 (180deg=-0.318) USER MOD Single : A 19 SER OG : rot 79:sc= -1.28 USER MOD Single : A 21 SER OG : rot 96:sc= -3.23! USER MOD Single : A 34 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 36 GLN :FLIP amide:sc= -3.22! C(o=-4.5!,f=-3.2!) USER MOD Single : A 37 TYR OH : rot -121:sc= 1.01 USER MOD Single : A 42 SER OG : rot 180:sc= 0 USER MOD Single : A 43 LYS NZ :NH3+ 178:sc= 0.761 (180deg=0.758) USER MOD Single : A 45 GLN : amide:sc= -0.167 K(o=-0.17,f=-1.1) USER MOD Single : A 52 LYS NZ :NH3+ 137:sc= -0.221 (180deg=-1.47!) USER MOD Single : A 54 ASN : amide:sc= -0.177 X(o=-0.18,f=0) USER MOD Single : A 64 GLN : amide:sc= -0.502 X(o=-0.5,f=-0.043) USER MOD Single : A 67 TYR OH : rot -35:sc= 0.72 USER MOD Single : A 71 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 74 ASN :FLIP amide:sc= -2.04 F(o=-3!,f=-2) USER MOD Single : A 76 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 79 MET CE :methyl 179:sc= -1.15 (180deg=-1.17) USER MOD Single : A 103 GLN : amide:sc= -4.4 K(o=-4.4,f=-13!) USER MOD Single : A 104 TYR OH : rot -132:sc= 1.24 USER MOD ----------------------------------------------------------------- ATOM 1 N LEU A 1 -1.070 -10.183 -14.000 1.00 0.00 N ATOM 2 CA LEU A 1 -1.103 -9.110 -12.971 1.00 0.00 C ATOM 3 C LEU A 1 -0.743 -7.757 -13.575 1.00 0.00 C ATOM 4 O LEU A 1 0.332 -7.589 -14.152 1.00 0.00 O ATOM 5 CB LEU A 1 -0.115 -9.469 -11.860 1.00 0.00 C ATOM 6 CG LEU A 1 -0.503 -10.683 -11.016 1.00 0.00 C ATOM 7 CD1 LEU A 1 -0.035 -11.967 -11.684 1.00 0.00 C ATOM 8 CD2 LEU A 1 0.081 -10.567 -9.616 1.00 0.00 C ATOM 0 H1 LEU A 1 -1.781 -10.906 -13.770 1.00 0.00 H new ATOM 0 H2 LEU A 1 -1.280 -9.775 -14.934 1.00 0.00 H new ATOM 0 H3 LEU A 1 -0.126 -10.619 -14.017 1.00 0.00 H new ATOM 0 HA LEU A 1 -2.113 -9.033 -12.567 1.00 0.00 H new ATOM 0 HB2 LEU A 1 0.861 -9.655 -12.309 1.00 0.00 H new ATOM 0 HB3 LEU A 1 -0.004 -8.608 -11.201 1.00 0.00 H new ATOM 0 HG LEU A 1 -1.590 -10.713 -10.934 1.00 0.00 H new ATOM 0 HD11 LEU A 1 -0.319 -12.821 -11.070 1.00 0.00 H new ATOM 0 HD12 LEU A 1 -0.499 -12.056 -12.666 1.00 0.00 H new ATOM 0 HD13 LEU A 1 1.049 -11.945 -11.795 1.00 0.00 H new ATOM 0 HD21 LEU A 1 -0.205 -11.440 -9.029 1.00 0.00 H new ATOM 0 HD22 LEU A 1 1.168 -10.512 -9.679 1.00 0.00 H new ATOM 0 HD23 LEU A 1 -0.301 -9.666 -9.136 1.00 0.00 H new ATOM 22 N GLU A 2 -1.646 -6.792 -13.434 1.00 0.00 N ATOM 23 CA GLU A 2 -1.422 -5.453 -13.963 1.00 0.00 C ATOM 24 C GLU A 2 -0.603 -4.620 -12.986 1.00 0.00 C ATOM 25 O GLU A 2 -0.626 -4.863 -11.781 1.00 0.00 O ATOM 26 CB GLU A 2 -2.756 -4.754 -14.237 1.00 0.00 C ATOM 27 CG GLU A 2 -2.775 -3.964 -15.536 1.00 0.00 C ATOM 28 CD GLU A 2 -3.388 -4.743 -16.683 1.00 0.00 C ATOM 29 OE1 GLU A 2 -4.374 -5.472 -16.445 1.00 0.00 O ATOM 30 OE2 GLU A 2 -2.883 -4.622 -17.819 1.00 0.00 O ATOM 0 H GLU A 2 -2.540 -6.913 -12.958 1.00 0.00 H new ATOM 0 HA GLU A 2 -0.870 -5.549 -14.898 1.00 0.00 H new ATOM 0 HB2 GLU A 2 -3.549 -5.501 -14.265 1.00 0.00 H new ATOM 0 HB3 GLU A 2 -2.981 -4.081 -13.409 1.00 0.00 H new ATOM 0 HG2 GLU A 2 -3.336 -3.041 -15.388 1.00 0.00 H new ATOM 0 HG3 GLU A 2 -1.756 -3.679 -15.799 1.00 0.00 H new ATOM 37 N LYS A 3 0.110 -3.632 -13.511 1.00 0.00 N ATOM 38 CA LYS A 3 0.921 -2.757 -12.677 1.00 0.00 C ATOM 39 C LYS A 3 0.982 -1.352 -13.261 1.00 0.00 C ATOM 40 O LYS A 3 1.287 -1.167 -14.439 1.00 0.00 O ATOM 41 CB LYS A 3 2.340 -3.306 -12.521 1.00 0.00 C ATOM 42 CG LYS A 3 2.397 -4.794 -12.225 1.00 0.00 C ATOM 43 CD LYS A 3 3.831 -5.260 -12.029 1.00 0.00 C ATOM 44 CE LYS A 3 3.934 -6.309 -10.934 1.00 0.00 C ATOM 45 NZ LYS A 3 4.856 -7.415 -11.310 1.00 0.00 N ATOM 0 H LYS A 3 0.143 -3.417 -14.508 1.00 0.00 H new ATOM 0 HA LYS A 3 0.449 -2.714 -11.695 1.00 0.00 H new ATOM 0 HB2 LYS A 3 2.898 -3.106 -13.435 1.00 0.00 H new ATOM 0 HB3 LYS A 3 2.841 -2.767 -11.717 1.00 0.00 H new ATOM 0 HG2 LYS A 3 1.815 -5.012 -11.329 1.00 0.00 H new ATOM 0 HG3 LYS A 3 1.940 -5.349 -13.045 1.00 0.00 H new ATOM 0 HD2 LYS A 3 4.212 -5.671 -12.964 1.00 0.00 H new ATOM 0 HD3 LYS A 3 4.460 -4.407 -11.776 1.00 0.00 H new ATOM 0 HE2 LYS A 3 4.285 -5.841 -10.014 1.00 0.00 H new ATOM 0 HE3 LYS A 3 2.944 -6.716 -10.727 1.00 0.00 H new ATOM 0 HZ1 LYS A 3 4.899 -8.109 -10.537 1.00 0.00 H new ATOM 0 HZ2 LYS A 3 4.508 -7.879 -12.173 1.00 0.00 H new ATOM 0 HZ3 LYS A 3 5.807 -7.031 -11.483 1.00 0.00 H new ATOM 59 N PHE A 4 0.701 -0.366 -12.422 1.00 0.00 N ATOM 60 CA PHE A 4 0.734 1.028 -12.837 1.00 0.00 C ATOM 61 C PHE A 4 1.385 1.872 -11.748 1.00 0.00 C ATOM 62 O PHE A 4 1.666 1.374 -10.660 1.00 0.00 O ATOM 63 CB PHE A 4 -0.680 1.529 -13.147 1.00 0.00 C ATOM 64 CG PHE A 4 -1.527 1.744 -11.927 1.00 0.00 C ATOM 65 CD1 PHE A 4 -2.178 0.682 -11.317 1.00 0.00 C ATOM 66 CD2 PHE A 4 -1.671 3.010 -11.390 1.00 0.00 C ATOM 67 CE1 PHE A 4 -2.954 0.885 -10.193 1.00 0.00 C ATOM 68 CE2 PHE A 4 -2.445 3.215 -10.270 1.00 0.00 C ATOM 69 CZ PHE A 4 -3.089 2.153 -9.670 1.00 0.00 C ATOM 0 H PHE A 4 0.446 -0.507 -11.444 1.00 0.00 H new ATOM 0 HA PHE A 4 1.326 1.116 -13.748 1.00 0.00 H new ATOM 0 HB2 PHE A 4 -0.610 2.466 -13.699 1.00 0.00 H new ATOM 0 HB3 PHE A 4 -1.175 0.810 -13.800 1.00 0.00 H new ATOM 0 HD1 PHE A 4 -2.077 -0.313 -11.725 1.00 0.00 H new ATOM 0 HD2 PHE A 4 -1.171 3.847 -11.854 1.00 0.00 H new ATOM 0 HE1 PHE A 4 -3.455 0.051 -9.724 1.00 0.00 H new ATOM 0 HE2 PHE A 4 -2.548 4.209 -9.861 1.00 0.00 H new ATOM 0 HZ PHE A 4 -3.698 2.315 -8.793 1.00 0.00 H new ATOM 79 N ASN A 5 1.636 3.141 -12.043 1.00 0.00 N ATOM 80 CA ASN A 5 2.274 4.026 -11.074 1.00 0.00 C ATOM 81 C ASN A 5 1.299 5.065 -10.527 1.00 0.00 C ATOM 82 O ASN A 5 0.542 5.681 -11.277 1.00 0.00 O ATOM 83 CB ASN A 5 3.476 4.725 -11.714 1.00 0.00 C ATOM 84 CG ASN A 5 4.759 4.502 -10.939 1.00 0.00 C ATOM 85 OD1 ASN A 5 5.790 4.147 -11.510 1.00 0.00 O ATOM 86 ND2 ASN A 5 4.702 4.710 -9.628 1.00 0.00 N ATOM 0 H ASN A 5 1.411 3.579 -12.936 1.00 0.00 H new ATOM 0 HA ASN A 5 2.610 3.413 -10.238 1.00 0.00 H new ATOM 0 HB2 ASN A 5 3.603 4.361 -12.733 1.00 0.00 H new ATOM 0 HB3 ASN A 5 3.277 5.795 -11.780 1.00 0.00 H new ATOM 0 HD21 ASN A 5 5.534 4.576 -9.054 1.00 0.00 H new ATOM 0 HD22 ASN A 5 3.826 5.004 -9.196 1.00 0.00 H new ATOM 93 N VAL A 6 1.347 5.265 -9.214 1.00 0.00 N ATOM 94 CA VAL A 6 0.492 6.242 -8.551 1.00 0.00 C ATOM 95 C VAL A 6 1.337 7.337 -7.927 1.00 0.00 C ATOM 96 O VAL A 6 1.997 7.117 -6.914 1.00 0.00 O ATOM 97 CB VAL A 6 -0.358 5.601 -7.440 1.00 0.00 C ATOM 98 CG1 VAL A 6 -1.411 6.574 -6.939 1.00 0.00 C ATOM 99 CG2 VAL A 6 -0.989 4.312 -7.920 1.00 0.00 C ATOM 0 H VAL A 6 1.972 4.760 -8.586 1.00 0.00 H new ATOM 0 HA VAL A 6 -0.171 6.652 -9.313 1.00 0.00 H new ATOM 0 HB VAL A 6 0.299 5.359 -6.605 1.00 0.00 H new ATOM 0 HG11 VAL A 6 -2.000 6.100 -6.154 1.00 0.00 H new ATOM 0 HG12 VAL A 6 -0.924 7.464 -6.540 1.00 0.00 H new ATOM 0 HG13 VAL A 6 -2.066 6.858 -7.763 1.00 0.00 H new ATOM 0 HG21 VAL A 6 -1.585 3.878 -7.117 1.00 0.00 H new ATOM 0 HG22 VAL A 6 -1.630 4.518 -8.777 1.00 0.00 H new ATOM 0 HG23 VAL A 6 -0.207 3.611 -8.212 1.00 0.00 H new ATOM 109 N ASP A 7 1.314 8.517 -8.522 1.00 0.00 N ATOM 110 CA ASP A 7 2.088 9.627 -7.997 1.00 0.00 C ATOM 111 C ASP A 7 1.174 10.734 -7.500 1.00 0.00 C ATOM 112 O ASP A 7 0.302 11.206 -8.230 1.00 0.00 O ATOM 113 CB ASP A 7 3.033 10.172 -9.070 1.00 0.00 C ATOM 114 CG ASP A 7 2.319 10.457 -10.377 1.00 0.00 C ATOM 115 OD1 ASP A 7 1.818 11.588 -10.546 1.00 0.00 O ATOM 116 OD2 ASP A 7 2.263 9.549 -11.233 1.00 0.00 O ATOM 0 H ASP A 7 0.774 8.730 -9.360 1.00 0.00 H new ATOM 0 HA ASP A 7 2.679 9.262 -7.157 1.00 0.00 H new ATOM 0 HB2 ASP A 7 3.501 11.087 -8.707 1.00 0.00 H new ATOM 0 HB3 ASP A 7 3.833 9.453 -9.245 1.00 0.00 H new ATOM 121 N LEU A 8 1.384 11.157 -6.260 1.00 0.00 N ATOM 122 CA LEU A 8 0.577 12.223 -5.687 1.00 0.00 C ATOM 123 C LEU A 8 1.333 12.933 -4.576 1.00 0.00 C ATOM 124 O LEU A 8 2.305 12.407 -4.041 1.00 0.00 O ATOM 125 CB LEU A 8 -0.776 11.697 -5.180 1.00 0.00 C ATOM 126 CG LEU A 8 -0.733 10.584 -4.124 1.00 0.00 C ATOM 127 CD1 LEU A 8 0.133 9.418 -4.578 1.00 0.00 C ATOM 128 CD2 LEU A 8 -0.252 11.131 -2.788 1.00 0.00 C ATOM 0 H LEU A 8 2.100 10.782 -5.638 1.00 0.00 H new ATOM 0 HA LEU A 8 0.373 12.944 -6.478 1.00 0.00 H new ATOM 0 HB2 LEU A 8 -1.334 12.537 -4.766 1.00 0.00 H new ATOM 0 HB3 LEU A 8 -1.341 11.331 -6.037 1.00 0.00 H new ATOM 0 HG LEU A 8 -1.748 10.207 -3.996 1.00 0.00 H new ATOM 0 HD11 LEU A 8 0.141 8.648 -3.806 1.00 0.00 H new ATOM 0 HD12 LEU A 8 -0.271 9.002 -5.501 1.00 0.00 H new ATOM 0 HD13 LEU A 8 1.151 9.767 -4.753 1.00 0.00 H new ATOM 0 HD21 LEU A 8 -0.228 10.327 -2.053 1.00 0.00 H new ATOM 0 HD22 LEU A 8 0.749 11.546 -2.904 1.00 0.00 H new ATOM 0 HD23 LEU A 8 -0.932 11.913 -2.449 1.00 0.00 H new ATOM 140 N MET A 9 0.892 14.135 -4.246 1.00 0.00 N ATOM 141 CA MET A 9 1.544 14.919 -3.207 1.00 0.00 C ATOM 142 C MET A 9 1.382 14.266 -1.843 1.00 0.00 C ATOM 143 O MET A 9 0.272 13.940 -1.423 1.00 0.00 O ATOM 144 CB MET A 9 0.980 16.339 -3.186 1.00 0.00 C ATOM 145 CG MET A 9 1.830 17.334 -3.962 1.00 0.00 C ATOM 146 SD MET A 9 2.588 18.583 -2.902 1.00 0.00 S ATOM 147 CE MET A 9 4.292 18.037 -2.905 1.00 0.00 C ATOM 0 H MET A 9 0.088 14.589 -4.680 1.00 0.00 H new ATOM 0 HA MET A 9 2.609 14.964 -3.434 1.00 0.00 H new ATOM 0 HB2 MET A 9 -0.027 16.329 -3.603 1.00 0.00 H new ATOM 0 HB3 MET A 9 0.894 16.673 -2.152 1.00 0.00 H new ATOM 0 HG2 MET A 9 2.612 16.796 -4.498 1.00 0.00 H new ATOM 0 HG3 MET A 9 1.211 17.827 -4.711 1.00 0.00 H new ATOM 0 HE1 MET A 9 4.723 18.183 -1.914 1.00 0.00 H new ATOM 0 HE2 MET A 9 4.335 16.980 -3.167 1.00 0.00 H new ATOM 0 HE3 MET A 9 4.858 18.615 -3.635 1.00 0.00 H new ATOM 157 N LYS A 10 2.503 14.076 -1.157 1.00 0.00 N ATOM 158 CA LYS A 10 2.494 13.460 0.162 1.00 0.00 C ATOM 159 C LYS A 10 2.893 14.456 1.238 1.00 0.00 C ATOM 160 O LYS A 10 3.841 15.223 1.071 1.00 0.00 O ATOM 161 CB LYS A 10 3.437 12.259 0.197 1.00 0.00 C ATOM 162 CG LYS A 10 2.739 10.959 0.553 1.00 0.00 C ATOM 163 CD LYS A 10 2.672 10.766 2.061 1.00 0.00 C ATOM 164 CE LYS A 10 2.040 9.437 2.433 1.00 0.00 C ATOM 165 NZ LYS A 10 2.209 9.126 3.879 1.00 0.00 N ATOM 0 H LYS A 10 3.429 14.340 -1.493 1.00 0.00 H new ATOM 0 HA LYS A 10 1.477 13.124 0.363 1.00 0.00 H new ATOM 0 HB2 LYS A 10 3.915 12.152 -0.777 1.00 0.00 H new ATOM 0 HB3 LYS A 10 4.229 12.448 0.921 1.00 0.00 H new ATOM 0 HG2 LYS A 10 1.731 10.959 0.138 1.00 0.00 H new ATOM 0 HG3 LYS A 10 3.270 10.122 0.100 1.00 0.00 H new ATOM 0 HD2 LYS A 10 3.677 10.820 2.479 1.00 0.00 H new ATOM 0 HD3 LYS A 10 2.098 11.579 2.506 1.00 0.00 H new ATOM 0 HE2 LYS A 10 0.978 9.459 2.188 1.00 0.00 H new ATOM 0 HE3 LYS A 10 2.488 8.643 1.836 1.00 0.00 H new ATOM 0 HZ1 LYS A 10 2.486 8.130 3.990 1.00 0.00 H new ATOM 0 HZ2 LYS A 10 2.947 9.738 4.282 1.00 0.00 H new ATOM 0 HZ3 LYS A 10 1.311 9.293 4.377 1.00 0.00 H new ATOM 179 N LYS A 11 2.170 14.428 2.347 1.00 0.00 N ATOM 180 CA LYS A 11 2.456 15.318 3.465 1.00 0.00 C ATOM 181 C LYS A 11 2.514 14.536 4.771 1.00 0.00 C ATOM 182 O LYS A 11 1.647 14.681 5.633 1.00 0.00 O ATOM 183 CB LYS A 11 1.395 16.419 3.568 1.00 0.00 C ATOM 184 CG LYS A 11 0.874 16.905 2.224 1.00 0.00 C ATOM 185 CD LYS A 11 1.821 17.910 1.590 1.00 0.00 C ATOM 186 CE LYS A 11 1.431 18.216 0.154 1.00 0.00 C ATOM 187 NZ LYS A 11 1.700 19.635 -0.204 1.00 0.00 N ATOM 0 H LYS A 11 1.381 13.800 2.498 1.00 0.00 H new ATOM 0 HA LYS A 11 3.426 15.781 3.285 1.00 0.00 H new ATOM 0 HB2 LYS A 11 0.557 16.048 4.158 1.00 0.00 H new ATOM 0 HB3 LYS A 11 1.816 17.266 4.110 1.00 0.00 H new ATOM 0 HG2 LYS A 11 0.743 16.055 1.555 1.00 0.00 H new ATOM 0 HG3 LYS A 11 -0.107 17.361 2.356 1.00 0.00 H new ATOM 0 HD2 LYS A 11 1.818 18.831 2.173 1.00 0.00 H new ATOM 0 HD3 LYS A 11 2.838 17.519 1.616 1.00 0.00 H new ATOM 0 HE2 LYS A 11 1.983 17.561 -0.520 1.00 0.00 H new ATOM 0 HE3 LYS A 11 0.372 18.000 0.012 1.00 0.00 H new ATOM 0 HZ1 LYS A 11 2.096 19.682 -1.165 1.00 0.00 H new ATOM 0 HZ2 LYS A 11 0.813 20.176 -0.168 1.00 0.00 H new ATOM 0 HZ3 LYS A 11 2.380 20.040 0.470 1.00 0.00 H new ATOM 201 N ALA A 12 3.550 13.706 4.906 1.00 0.00 N ATOM 202 CA ALA A 12 3.749 12.884 6.102 1.00 0.00 C ATOM 203 C ALA A 12 2.415 12.423 6.690 1.00 0.00 C ATOM 204 O ALA A 12 1.889 13.041 7.615 1.00 0.00 O ATOM 205 CB ALA A 12 4.547 13.653 7.144 1.00 0.00 C ATOM 0 H ALA A 12 4.271 13.585 4.195 1.00 0.00 H new ATOM 0 HA ALA A 12 4.310 11.997 5.809 1.00 0.00 H new ATOM 0 HB1 ALA A 12 4.687 13.030 8.027 1.00 0.00 H new ATOM 0 HB2 ALA A 12 5.519 13.922 6.732 1.00 0.00 H new ATOM 0 HB3 ALA A 12 4.007 14.558 7.421 1.00 0.00 H new ATOM 211 N GLY A 13 1.867 11.346 6.138 1.00 0.00 N ATOM 212 CA GLY A 13 0.592 10.842 6.613 1.00 0.00 C ATOM 213 C GLY A 13 -0.538 11.802 6.304 1.00 0.00 C ATOM 214 O GLY A 13 -1.233 12.270 7.205 1.00 0.00 O ATOM 0 H GLY A 13 2.281 10.814 5.372 1.00 0.00 H new ATOM 0 HA2 GLY A 13 0.387 9.877 6.150 1.00 0.00 H new ATOM 0 HA3 GLY A 13 0.644 10.675 7.689 1.00 0.00 H new ATOM 218 N LYS A 14 -0.705 12.110 5.023 1.00 0.00 N ATOM 219 CA LYS A 14 -1.737 13.036 4.575 1.00 0.00 C ATOM 220 C LYS A 14 -2.975 12.283 4.063 1.00 0.00 C ATOM 221 O LYS A 14 -3.412 11.302 4.666 1.00 0.00 O ATOM 222 CB LYS A 14 -1.152 13.952 3.485 1.00 0.00 C ATOM 223 CG LYS A 14 -1.873 15.291 3.271 1.00 0.00 C ATOM 224 CD LYS A 14 -3.065 15.498 4.198 1.00 0.00 C ATOM 225 CE LYS A 14 -2.631 16.055 5.545 1.00 0.00 C ATOM 226 NZ LYS A 14 -3.438 15.497 6.664 1.00 0.00 N ATOM 0 H LYS A 14 -0.133 11.727 4.270 1.00 0.00 H new ATOM 0 HA LYS A 14 -2.062 13.645 5.418 1.00 0.00 H new ATOM 0 HB2 LYS A 14 -0.111 14.158 3.732 1.00 0.00 H new ATOM 0 HB3 LYS A 14 -1.153 13.407 2.541 1.00 0.00 H new ATOM 0 HG2 LYS A 14 -1.163 16.104 3.419 1.00 0.00 H new ATOM 0 HG3 LYS A 14 -2.213 15.350 2.237 1.00 0.00 H new ATOM 0 HD2 LYS A 14 -3.776 16.181 3.732 1.00 0.00 H new ATOM 0 HD3 LYS A 14 -3.583 14.550 4.344 1.00 0.00 H new ATOM 0 HE2 LYS A 14 -1.578 15.828 5.709 1.00 0.00 H new ATOM 0 HE3 LYS A 14 -2.725 17.141 5.536 1.00 0.00 H new ATOM 0 HZ1 LYS A 14 -3.586 16.232 7.385 1.00 0.00 H new ATOM 0 HZ2 LYS A 14 -4.359 15.176 6.302 1.00 0.00 H new ATOM 0 HZ3 LYS A 14 -2.934 14.692 7.088 1.00 0.00 H new ATOM 240 N GLU A 15 -3.540 12.763 2.958 1.00 0.00 N ATOM 241 CA GLU A 15 -4.727 12.175 2.353 1.00 0.00 C ATOM 242 C GLU A 15 -4.455 10.802 1.737 1.00 0.00 C ATOM 243 O GLU A 15 -5.377 10.154 1.244 1.00 0.00 O ATOM 244 CB GLU A 15 -5.309 13.124 1.306 1.00 0.00 C ATOM 245 CG GLU A 15 -6.267 14.151 1.888 1.00 0.00 C ATOM 246 CD GLU A 15 -6.198 15.483 1.169 1.00 0.00 C ATOM 247 OE1 GLU A 15 -5.126 16.124 1.206 1.00 0.00 O ATOM 248 OE2 GLU A 15 -7.216 15.887 0.567 1.00 0.00 O ATOM 0 H GLU A 15 -3.183 13.576 2.456 1.00 0.00 H new ATOM 0 HA GLU A 15 -5.454 12.024 3.151 1.00 0.00 H new ATOM 0 HB2 GLU A 15 -4.493 13.643 0.803 1.00 0.00 H new ATOM 0 HB3 GLU A 15 -5.831 12.540 0.547 1.00 0.00 H new ATOM 0 HG2 GLU A 15 -7.285 13.765 1.834 1.00 0.00 H new ATOM 0 HG3 GLU A 15 -6.038 14.299 2.943 1.00 0.00 H new ATOM 255 N LEU A 16 -3.196 10.360 1.738 1.00 0.00 N ATOM 256 CA LEU A 16 -2.853 9.067 1.146 1.00 0.00 C ATOM 257 C LEU A 16 -3.862 8.007 1.571 1.00 0.00 C ATOM 258 O LEU A 16 -4.349 7.234 0.745 1.00 0.00 O ATOM 259 CB LEU A 16 -1.444 8.651 1.572 1.00 0.00 C ATOM 260 CG LEU A 16 -0.618 7.946 0.493 1.00 0.00 C ATOM 261 CD1 LEU A 16 0.387 8.902 -0.128 1.00 0.00 C ATOM 262 CD2 LEU A 16 0.086 6.725 1.072 1.00 0.00 C ATOM 0 H LEU A 16 -2.408 10.870 2.136 1.00 0.00 H new ATOM 0 HA LEU A 16 -2.881 9.161 0.060 1.00 0.00 H new ATOM 0 HB2 LEU A 16 -0.903 9.539 1.898 1.00 0.00 H new ATOM 0 HB3 LEU A 16 -1.523 7.991 2.436 1.00 0.00 H new ATOM 0 HG LEU A 16 -1.296 7.611 -0.292 1.00 0.00 H new ATOM 0 HD11 LEU A 16 0.963 8.379 -0.892 1.00 0.00 H new ATOM 0 HD12 LEU A 16 -0.141 9.741 -0.582 1.00 0.00 H new ATOM 0 HD13 LEU A 16 1.061 9.273 0.644 1.00 0.00 H new ATOM 0 HD21 LEU A 16 0.668 6.236 0.291 1.00 0.00 H new ATOM 0 HD22 LEU A 16 0.750 7.036 1.879 1.00 0.00 H new ATOM 0 HD23 LEU A 16 -0.656 6.028 1.461 1.00 0.00 H new ATOM 274 N GLY A 17 -4.199 8.013 2.856 1.00 0.00 N ATOM 275 CA GLY A 17 -5.181 7.090 3.403 1.00 0.00 C ATOM 276 C GLY A 17 -5.359 5.811 2.605 1.00 0.00 C ATOM 277 O GLY A 17 -6.415 5.577 2.020 1.00 0.00 O ATOM 0 H GLY A 17 -3.801 8.654 3.542 1.00 0.00 H new ATOM 0 HA2 GLY A 17 -4.889 6.830 4.420 1.00 0.00 H new ATOM 0 HA3 GLY A 17 -6.143 7.599 3.468 1.00 0.00 H new ATOM 281 N LEU A 18 -4.336 4.975 2.606 1.00 0.00 N ATOM 282 CA LEU A 18 -4.398 3.697 1.906 1.00 0.00 C ATOM 283 C LEU A 18 -3.880 2.586 2.809 1.00 0.00 C ATOM 284 O LEU A 18 -2.679 2.325 2.869 1.00 0.00 O ATOM 285 CB LEU A 18 -3.604 3.737 0.599 1.00 0.00 C ATOM 286 CG LEU A 18 -2.311 4.555 0.641 1.00 0.00 C ATOM 287 CD1 LEU A 18 -1.099 3.645 0.757 1.00 0.00 C ATOM 288 CD2 LEU A 18 -2.202 5.427 -0.599 1.00 0.00 C ATOM 0 H LEU A 18 -3.452 5.154 3.082 1.00 0.00 H new ATOM 0 HA LEU A 18 -5.439 3.498 1.653 1.00 0.00 H new ATOM 0 HB2 LEU A 18 -3.358 2.715 0.312 1.00 0.00 H new ATOM 0 HB3 LEU A 18 -4.245 4.143 -0.184 1.00 0.00 H new ATOM 0 HG LEU A 18 -2.339 5.197 1.521 1.00 0.00 H new ATOM 0 HD11 LEU A 18 -0.192 4.249 0.785 1.00 0.00 H new ATOM 0 HD12 LEU A 18 -1.172 3.057 1.672 1.00 0.00 H new ATOM 0 HD13 LEU A 18 -1.063 2.976 -0.103 1.00 0.00 H new ATOM 0 HD21 LEU A 18 -1.278 6.004 -0.558 1.00 0.00 H new ATOM 0 HD22 LEU A 18 -2.196 4.796 -1.488 1.00 0.00 H new ATOM 0 HD23 LEU A 18 -3.053 6.107 -0.642 1.00 0.00 H new ATOM 300 N SER A 19 -4.798 1.948 3.526 1.00 0.00 N ATOM 301 CA SER A 19 -4.443 0.874 4.447 1.00 0.00 C ATOM 302 C SER A 19 -3.684 -0.237 3.731 1.00 0.00 C ATOM 303 O SER A 19 -4.236 -0.924 2.872 1.00 0.00 O ATOM 304 CB SER A 19 -5.699 0.307 5.109 1.00 0.00 C ATOM 305 OG SER A 19 -5.437 -0.949 5.712 1.00 0.00 O ATOM 0 H SER A 19 -5.796 2.156 3.487 1.00 0.00 H new ATOM 0 HA SER A 19 -3.792 1.292 5.215 1.00 0.00 H new ATOM 0 HB2 SER A 19 -6.064 1.006 5.862 1.00 0.00 H new ATOM 0 HB3 SER A 19 -6.488 0.199 4.365 1.00 0.00 H new ATOM 0 HG SER A 19 -4.988 -0.812 6.572 1.00 0.00 H new ATOM 311 N LEU A 20 -2.415 -0.401 4.094 1.00 0.00 N ATOM 312 CA LEU A 20 -1.570 -1.427 3.491 1.00 0.00 C ATOM 313 C LEU A 20 -1.574 -2.705 4.322 1.00 0.00 C ATOM 314 O LEU A 20 -2.022 -2.714 5.470 1.00 0.00 O ATOM 315 CB LEU A 20 -0.132 -0.915 3.344 1.00 0.00 C ATOM 316 CG LEU A 20 0.103 0.165 2.277 1.00 0.00 C ATOM 317 CD1 LEU A 20 -1.052 0.237 1.287 1.00 0.00 C ATOM 318 CD2 LEU A 20 0.327 1.519 2.935 1.00 0.00 C ATOM 0 H LEU A 20 -1.949 0.164 4.804 1.00 0.00 H new ATOM 0 HA LEU A 20 -1.977 -1.654 2.506 1.00 0.00 H new ATOM 0 HB2 LEU A 20 0.190 -0.519 4.307 1.00 0.00 H new ATOM 0 HB3 LEU A 20 0.512 -1.765 3.117 1.00 0.00 H new ATOM 0 HG LEU A 20 0.998 -0.109 1.719 1.00 0.00 H new ATOM 0 HD11 LEU A 20 -0.850 1.012 0.548 1.00 0.00 H new ATOM 0 HD12 LEU A 20 -1.161 -0.724 0.785 1.00 0.00 H new ATOM 0 HD13 LEU A 20 -1.973 0.475 1.819 1.00 0.00 H new ATOM 0 HD21 LEU A 20 0.492 2.274 2.166 1.00 0.00 H new ATOM 0 HD22 LEU A 20 -0.550 1.787 3.524 1.00 0.00 H new ATOM 0 HD23 LEU A 20 1.200 1.467 3.586 1.00 0.00 H new ATOM 330 N SER A 21 -1.064 -3.784 3.733 1.00 0.00 N ATOM 331 CA SER A 21 -0.996 -5.073 4.409 1.00 0.00 C ATOM 332 C SER A 21 0.288 -5.807 4.028 1.00 0.00 C ATOM 333 O SER A 21 0.881 -5.530 2.989 1.00 0.00 O ATOM 334 CB SER A 21 -2.214 -5.926 4.050 1.00 0.00 C ATOM 335 OG SER A 21 -3.371 -5.122 3.901 1.00 0.00 O ATOM 0 H SER A 21 -0.690 -3.789 2.784 1.00 0.00 H new ATOM 0 HA SER A 21 -0.994 -4.899 5.485 1.00 0.00 H new ATOM 0 HB2 SER A 21 -2.022 -6.469 3.124 1.00 0.00 H new ATOM 0 HB3 SER A 21 -2.382 -6.671 4.827 1.00 0.00 H new ATOM 0 HG SER A 21 -3.497 -4.902 2.954 1.00 0.00 H new ATOM 341 N PRO A 22 0.740 -6.754 4.870 1.00 0.00 N ATOM 342 CA PRO A 22 1.966 -7.520 4.609 1.00 0.00 C ATOM 343 C PRO A 22 1.843 -8.423 3.386 1.00 0.00 C ATOM 344 O PRO A 22 0.912 -9.220 3.281 1.00 0.00 O ATOM 345 CB PRO A 22 2.143 -8.360 5.877 1.00 0.00 C ATOM 346 CG PRO A 22 0.780 -8.444 6.476 1.00 0.00 C ATOM 347 CD PRO A 22 0.100 -7.148 6.138 1.00 0.00 C ATOM 0 HA PRO A 22 2.811 -6.866 4.394 1.00 0.00 H new ATOM 0 HB2 PRO A 22 2.533 -9.350 5.643 1.00 0.00 H new ATOM 0 HB3 PRO A 22 2.848 -7.893 6.565 1.00 0.00 H new ATOM 0 HG2 PRO A 22 0.227 -9.292 6.071 1.00 0.00 H new ATOM 0 HG3 PRO A 22 0.836 -8.586 7.555 1.00 0.00 H new ATOM 0 HD2 PRO A 22 -0.976 -7.276 6.023 1.00 0.00 H new ATOM 0 HD3 PRO A 22 0.251 -6.399 6.915 1.00 0.00 H new ATOM 355 N ASN A 23 2.795 -8.292 2.462 1.00 0.00 N ATOM 356 CA ASN A 23 2.797 -9.101 1.247 1.00 0.00 C ATOM 357 C ASN A 23 4.215 -9.549 0.895 1.00 0.00 C ATOM 358 O ASN A 23 5.194 -8.991 1.389 1.00 0.00 O ATOM 359 CB ASN A 23 2.187 -8.320 0.079 1.00 0.00 C ATOM 360 CG ASN A 23 0.986 -9.026 -0.519 1.00 0.00 C ATOM 361 OD1 ASN A 23 0.839 -9.099 -1.739 1.00 0.00 O ATOM 362 ND2 ASN A 23 0.119 -9.549 0.340 1.00 0.00 N ATOM 0 H ASN A 23 3.572 -7.635 2.533 1.00 0.00 H new ATOM 0 HA ASN A 23 2.190 -9.987 1.431 1.00 0.00 H new ATOM 0 HB2 ASN A 23 1.890 -7.329 0.423 1.00 0.00 H new ATOM 0 HB3 ASN A 23 2.943 -8.176 -0.693 1.00 0.00 H new ATOM 0 HD21 ASN A 23 -0.709 -10.035 -0.004 1.00 0.00 H new ATOM 0 HD22 ASN A 23 0.281 -9.465 1.343 1.00 0.00 H new ATOM 369 N GLU A 24 4.311 -10.564 0.042 1.00 0.00 N ATOM 370 CA GLU A 24 5.603 -11.098 -0.378 1.00 0.00 C ATOM 371 C GLU A 24 6.220 -10.253 -1.489 1.00 0.00 C ATOM 372 O GLU A 24 7.440 -10.220 -1.651 1.00 0.00 O ATOM 373 CB GLU A 24 5.443 -12.539 -0.861 1.00 0.00 C ATOM 374 CG GLU A 24 4.559 -12.671 -2.091 1.00 0.00 C ATOM 375 CD GLU A 24 3.805 -13.985 -2.129 1.00 0.00 C ATOM 376 OE1 GLU A 24 4.402 -15.001 -2.545 1.00 0.00 O ATOM 377 OE2 GLU A 24 2.618 -14.000 -1.741 1.00 0.00 O ATOM 0 H GLU A 24 3.507 -11.035 -0.373 1.00 0.00 H new ATOM 0 HA GLU A 24 6.270 -11.071 0.484 1.00 0.00 H new ATOM 0 HB2 GLU A 24 6.427 -12.950 -1.085 1.00 0.00 H new ATOM 0 HB3 GLU A 24 5.022 -13.140 -0.055 1.00 0.00 H new ATOM 0 HG2 GLU A 24 3.846 -11.847 -2.112 1.00 0.00 H new ATOM 0 HG3 GLU A 24 5.174 -12.583 -2.987 1.00 0.00 H new ATOM 384 N ILE A 25 5.371 -9.580 -2.257 1.00 0.00 N ATOM 385 CA ILE A 25 5.834 -8.745 -3.361 1.00 0.00 C ATOM 386 C ILE A 25 5.716 -7.257 -3.038 1.00 0.00 C ATOM 387 O ILE A 25 6.202 -6.410 -3.789 1.00 0.00 O ATOM 388 CB ILE A 25 5.044 -9.041 -4.648 1.00 0.00 C ATOM 389 CG1 ILE A 25 3.547 -8.792 -4.420 1.00 0.00 C ATOM 390 CG2 ILE A 25 5.301 -10.471 -5.100 1.00 0.00 C ATOM 391 CD1 ILE A 25 2.647 -9.459 -5.439 1.00 0.00 C ATOM 0 H ILE A 25 4.358 -9.596 -2.136 1.00 0.00 H new ATOM 0 HA ILE A 25 6.886 -8.988 -3.513 1.00 0.00 H new ATOM 0 HB ILE A 25 5.381 -8.369 -5.438 1.00 0.00 H new ATOM 0 HG12 ILE A 25 3.278 -9.148 -3.425 1.00 0.00 H new ATOM 0 HG13 ILE A 25 3.362 -7.718 -4.435 1.00 0.00 H new ATOM 0 HG21 ILE A 25 4.738 -10.671 -6.011 1.00 0.00 H new ATOM 0 HG22 ILE A 25 6.365 -10.606 -5.294 1.00 0.00 H new ATOM 0 HG23 ILE A 25 4.984 -11.162 -4.319 1.00 0.00 H new ATOM 0 HD11 ILE A 25 1.606 -9.234 -5.207 1.00 0.00 H new ATOM 0 HD12 ILE A 25 2.886 -9.086 -6.435 1.00 0.00 H new ATOM 0 HD13 ILE A 25 2.801 -10.538 -5.409 1.00 0.00 H new ATOM 403 N GLY A 26 5.072 -6.943 -1.922 1.00 0.00 N ATOM 404 CA GLY A 26 4.906 -5.558 -1.527 1.00 0.00 C ATOM 405 C GLY A 26 3.960 -5.409 -0.357 1.00 0.00 C ATOM 406 O GLY A 26 4.153 -6.032 0.687 1.00 0.00 O ATOM 0 H GLY A 26 4.661 -7.623 -1.283 1.00 0.00 H new ATOM 0 HA2 GLY A 26 5.877 -5.138 -1.263 1.00 0.00 H new ATOM 0 HA3 GLY A 26 4.529 -4.983 -2.373 1.00 0.00 H new ATOM 410 N CYS A 27 2.932 -4.589 -0.529 1.00 0.00 N ATOM 411 CA CYS A 27 1.956 -4.375 0.531 1.00 0.00 C ATOM 412 C CYS A 27 0.542 -4.284 -0.032 1.00 0.00 C ATOM 413 O CYS A 27 0.162 -3.276 -0.627 1.00 0.00 O ATOM 414 CB CYS A 27 2.284 -3.105 1.329 1.00 0.00 C ATOM 415 SG CYS A 27 3.295 -1.891 0.445 1.00 0.00 S ATOM 0 H CYS A 27 2.753 -4.065 -1.385 1.00 0.00 H new ATOM 0 HA CYS A 27 2.007 -5.234 1.201 1.00 0.00 H new ATOM 0 HB2 CYS A 27 1.350 -2.630 1.628 1.00 0.00 H new ATOM 0 HB3 CYS A 27 2.803 -3.392 2.244 1.00 0.00 H new ATOM 0 HG CYS A 27 4.548 -2.075 0.737 1.00 0.00 H new ATOM 421 N THR A 28 -0.236 -5.341 0.175 1.00 0.00 N ATOM 422 CA THR A 28 -1.614 -5.382 -0.296 1.00 0.00 C ATOM 423 C THR A 28 -2.467 -4.371 0.460 1.00 0.00 C ATOM 424 O THR A 28 -2.493 -4.369 1.690 1.00 0.00 O ATOM 425 CB THR A 28 -2.196 -6.784 -0.109 1.00 0.00 C ATOM 426 OG1 THR A 28 -1.427 -7.747 -0.807 1.00 0.00 O ATOM 427 CG2 THR A 28 -3.629 -6.905 -0.582 1.00 0.00 C ATOM 0 H THR A 28 0.066 -6.182 0.667 1.00 0.00 H new ATOM 0 HA THR A 28 -1.620 -5.129 -1.356 1.00 0.00 H new ATOM 0 HB THR A 28 -2.169 -6.966 0.965 1.00 0.00 H new ATOM 0 HG1 THR A 28 -1.963 -8.556 -0.946 1.00 0.00 H new ATOM 0 HG21 THR A 28 -3.981 -7.924 -0.421 1.00 0.00 H new ATOM 0 HG22 THR A 28 -4.257 -6.212 -0.022 1.00 0.00 H new ATOM 0 HG23 THR A 28 -3.683 -6.666 -1.644 1.00 0.00 H new ATOM 435 N ILE A 29 -3.167 -3.516 -0.275 1.00 0.00 N ATOM 436 CA ILE A 29 -4.017 -2.513 0.344 1.00 0.00 C ATOM 437 C ILE A 29 -5.219 -3.166 1.015 1.00 0.00 C ATOM 438 O ILE A 29 -6.160 -3.594 0.345 1.00 0.00 O ATOM 439 CB ILE A 29 -4.512 -1.475 -0.682 1.00 0.00 C ATOM 440 CG1 ILE A 29 -3.330 -0.888 -1.455 1.00 0.00 C ATOM 441 CG2 ILE A 29 -5.295 -0.370 0.015 1.00 0.00 C ATOM 442 CD1 ILE A 29 -3.723 -0.270 -2.781 1.00 0.00 C ATOM 0 H ILE A 29 -3.162 -3.498 -1.295 1.00 0.00 H new ATOM 0 HA ILE A 29 -3.413 -2.001 1.093 1.00 0.00 H new ATOM 0 HB ILE A 29 -5.175 -1.973 -1.389 1.00 0.00 H new ATOM 0 HG12 ILE A 29 -2.844 -0.131 -0.840 1.00 0.00 H new ATOM 0 HG13 ILE A 29 -2.596 -1.674 -1.633 1.00 0.00 H new ATOM 0 HG21 ILE A 29 -5.637 0.355 -0.724 1.00 0.00 H new ATOM 0 HG22 ILE A 29 -6.156 -0.801 0.527 1.00 0.00 H new ATOM 0 HG23 ILE A 29 -4.653 0.128 0.742 1.00 0.00 H new ATOM 0 HD11 ILE A 29 -2.836 0.126 -3.275 1.00 0.00 H new ATOM 0 HD12 ILE A 29 -4.182 -1.029 -3.414 1.00 0.00 H new ATOM 0 HD13 ILE A 29 -4.434 0.538 -2.609 1.00 0.00 H new ATOM 454 N ALA A 30 -5.183 -3.238 2.340 1.00 0.00 N ATOM 455 CA ALA A 30 -6.270 -3.837 3.101 1.00 0.00 C ATOM 456 C ALA A 30 -7.529 -2.985 3.016 1.00 0.00 C ATOM 457 O ALA A 30 -8.644 -3.497 3.101 1.00 0.00 O ATOM 458 CB ALA A 30 -5.856 -4.030 4.552 1.00 0.00 C ATOM 0 H ALA A 30 -4.412 -2.889 2.909 1.00 0.00 H new ATOM 0 HA ALA A 30 -6.492 -4.812 2.667 1.00 0.00 H new ATOM 0 HB1 ALA A 30 -6.679 -4.479 5.109 1.00 0.00 H new ATOM 0 HB2 ALA A 30 -4.987 -4.686 4.598 1.00 0.00 H new ATOM 0 HB3 ALA A 30 -5.606 -3.064 4.990 1.00 0.00 H new ATOM 464 N ASP A 31 -7.344 -1.677 2.846 1.00 0.00 N ATOM 465 CA ASP A 31 -8.469 -0.756 2.750 1.00 0.00 C ATOM 466 C ASP A 31 -8.031 0.582 2.174 1.00 0.00 C ATOM 467 O ASP A 31 -6.839 0.869 2.075 1.00 0.00 O ATOM 468 CB ASP A 31 -9.099 -0.533 4.122 1.00 0.00 C ATOM 469 CG ASP A 31 -10.250 -1.483 4.397 1.00 0.00 C ATOM 470 OD1 ASP A 31 -10.700 -2.163 3.450 1.00 0.00 O ATOM 471 OD2 ASP A 31 -10.704 -1.545 5.559 1.00 0.00 O ATOM 0 H ASP A 31 -6.428 -1.235 2.772 1.00 0.00 H new ATOM 0 HA ASP A 31 -9.205 -1.204 2.083 1.00 0.00 H new ATOM 0 HB2 ASP A 31 -8.338 -0.658 4.892 1.00 0.00 H new ATOM 0 HB3 ASP A 31 -9.456 0.494 4.191 1.00 0.00 H new ATOM 476 N LEU A 32 -9.008 1.396 1.800 1.00 0.00 N ATOM 477 CA LEU A 32 -8.735 2.699 1.242 1.00 0.00 C ATOM 478 C LEU A 32 -9.847 3.686 1.569 1.00 0.00 C ATOM 479 O LEU A 32 -11.030 3.388 1.404 1.00 0.00 O ATOM 480 CB LEU A 32 -8.553 2.587 -0.268 1.00 0.00 C ATOM 481 CG LEU A 32 -7.286 3.245 -0.786 1.00 0.00 C ATOM 482 CD1 LEU A 32 -6.379 2.224 -1.458 1.00 0.00 C ATOM 483 CD2 LEU A 32 -7.619 4.385 -1.737 1.00 0.00 C ATOM 0 H LEU A 32 -10.000 1.169 1.876 1.00 0.00 H new ATOM 0 HA LEU A 32 -7.815 3.076 1.689 1.00 0.00 H new ATOM 0 HB2 LEU A 32 -8.543 1.533 -0.546 1.00 0.00 H new ATOM 0 HB3 LEU A 32 -9.413 3.038 -0.762 1.00 0.00 H new ATOM 0 HG LEU A 32 -6.749 3.662 0.066 1.00 0.00 H new ATOM 0 HD11 LEU A 32 -5.479 2.720 -1.820 1.00 0.00 H new ATOM 0 HD12 LEU A 32 -6.104 1.453 -0.739 1.00 0.00 H new ATOM 0 HD13 LEU A 32 -6.904 1.767 -2.297 1.00 0.00 H new ATOM 0 HD21 LEU A 32 -6.696 4.841 -2.095 1.00 0.00 H new ATOM 0 HD22 LEU A 32 -8.185 3.998 -2.584 1.00 0.00 H new ATOM 0 HD23 LEU A 32 -8.214 5.133 -1.214 1.00 0.00 H new ATOM 495 N ILE A 33 -9.452 4.868 2.025 1.00 0.00 N ATOM 496 CA ILE A 33 -10.407 5.908 2.369 1.00 0.00 C ATOM 497 C ILE A 33 -10.533 6.916 1.236 1.00 0.00 C ATOM 498 O ILE A 33 -9.687 7.794 1.071 1.00 0.00 O ATOM 499 CB ILE A 33 -10.017 6.642 3.667 1.00 0.00 C ATOM 500 CG1 ILE A 33 -8.551 7.083 3.636 1.00 0.00 C ATOM 501 CG2 ILE A 33 -10.286 5.770 4.869 1.00 0.00 C ATOM 502 CD1 ILE A 33 -8.048 7.588 4.971 1.00 0.00 C ATOM 0 H ILE A 33 -8.476 5.128 2.164 1.00 0.00 H new ATOM 0 HA ILE A 33 -11.367 5.417 2.530 1.00 0.00 H new ATOM 0 HB ILE A 33 -10.633 7.538 3.744 1.00 0.00 H new ATOM 0 HG12 ILE A 33 -7.933 6.244 3.317 1.00 0.00 H new ATOM 0 HG13 ILE A 33 -8.431 7.869 2.890 1.00 0.00 H new ATOM 0 HG21 ILE A 33 -10.005 6.304 5.776 1.00 0.00 H new ATOM 0 HG22 ILE A 33 -11.347 5.522 4.908 1.00 0.00 H new ATOM 0 HG23 ILE A 33 -9.701 4.853 4.792 1.00 0.00 H new ATOM 0 HD11 ILE A 33 -7.003 7.884 4.878 1.00 0.00 H new ATOM 0 HD12 ILE A 33 -8.642 8.447 5.282 1.00 0.00 H new ATOM 0 HD13 ILE A 33 -8.136 6.797 5.716 1.00 0.00 H new ATOM 514 N GLN A 34 -11.594 6.774 0.451 1.00 0.00 N ATOM 515 CA GLN A 34 -11.837 7.660 -0.678 1.00 0.00 C ATOM 516 C GLN A 34 -12.230 9.053 -0.202 1.00 0.00 C ATOM 517 O GLN A 34 -12.536 9.254 0.973 1.00 0.00 O ATOM 518 CB GLN A 34 -12.919 7.075 -1.583 1.00 0.00 C ATOM 519 CG GLN A 34 -12.565 5.697 -2.123 1.00 0.00 C ATOM 520 CD GLN A 34 -13.510 5.236 -3.215 1.00 0.00 C ATOM 521 OE1 GLN A 34 -14.718 5.124 -3.001 1.00 0.00 O ATOM 522 NE2 GLN A 34 -12.965 4.967 -4.396 1.00 0.00 N ATOM 0 H GLN A 34 -12.302 6.050 0.577 1.00 0.00 H new ATOM 0 HA GLN A 34 -10.914 7.750 -1.250 1.00 0.00 H new ATOM 0 HB2 GLN A 34 -13.854 7.011 -1.027 1.00 0.00 H new ATOM 0 HB3 GLN A 34 -13.091 7.753 -2.419 1.00 0.00 H new ATOM 0 HG2 GLN A 34 -11.547 5.714 -2.513 1.00 0.00 H new ATOM 0 HG3 GLN A 34 -12.581 4.976 -1.306 1.00 0.00 H new ATOM 0 HE21 GLN A 34 -11.959 5.073 -4.530 1.00 0.00 H new ATOM 0 HE22 GLN A 34 -13.552 4.654 -5.169 1.00 0.00 H new ATOM 531 N GLY A 35 -12.200 10.016 -1.117 1.00 0.00 N ATOM 532 CA GLY A 35 -12.533 11.382 -0.762 1.00 0.00 C ATOM 533 C GLY A 35 -11.360 12.107 -0.128 1.00 0.00 C ATOM 534 O GLY A 35 -11.461 13.280 0.228 1.00 0.00 O ATOM 0 H GLY A 35 -11.951 9.875 -2.096 1.00 0.00 H new ATOM 0 HA2 GLY A 35 -12.853 11.921 -1.654 1.00 0.00 H new ATOM 0 HA3 GLY A 35 -13.376 11.382 -0.071 1.00 0.00 H new ATOM 538 N GLN A 36 -10.241 11.398 0.009 1.00 0.00 N ATOM 539 CA GLN A 36 -9.033 11.959 0.600 1.00 0.00 C ATOM 540 C GLN A 36 -8.100 12.478 -0.487 1.00 0.00 C ATOM 541 O GLN A 36 -7.553 13.573 -0.376 1.00 0.00 O ATOM 542 CB GLN A 36 -8.335 10.888 1.458 1.00 0.00 C ATOM 543 CG GLN A 36 -8.361 11.126 2.972 1.00 0.00 C ATOM 544 CD GLN A 36 -8.958 12.459 3.389 1.00 0.00 C ATOM 545 OE1 GLN A 36 -8.120 13.342 3.918 1.00 0.00 O flip ATOM 546 NE2 GLN A 36 -10.159 12.688 3.244 1.00 0.00 N flip ATOM 0 H GLN A 36 -10.149 10.426 -0.285 1.00 0.00 H new ATOM 0 HA GLN A 36 -9.302 12.800 1.239 1.00 0.00 H new ATOM 0 HB2 GLN A 36 -8.801 9.924 1.253 1.00 0.00 H new ATOM 0 HB3 GLN A 36 -7.296 10.814 1.139 1.00 0.00 H new ATOM 0 HG2 GLN A 36 -8.929 10.324 3.444 1.00 0.00 H new ATOM 0 HG3 GLN A 36 -7.342 11.063 3.355 1.00 0.00 H new ATOM 0 HE21 GLN A 36 -10.767 11.980 2.833 1.00 0.00 H new ATOM 0 HE22 GLN A 36 -10.546 13.586 3.535 1.00 0.00 H new ATOM 555 N TYR A 37 -7.931 11.698 -1.545 1.00 0.00 N ATOM 556 CA TYR A 37 -7.069 12.100 -2.645 1.00 0.00 C ATOM 557 C TYR A 37 -7.691 11.730 -3.992 1.00 0.00 C ATOM 558 O TYR A 37 -8.275 10.656 -4.142 1.00 0.00 O ATOM 559 CB TYR A 37 -5.695 11.451 -2.498 1.00 0.00 C ATOM 560 CG TYR A 37 -4.654 12.331 -1.831 1.00 0.00 C ATOM 561 CD1 TYR A 37 -4.619 13.706 -2.049 1.00 0.00 C ATOM 562 CD2 TYR A 37 -3.686 11.777 -1.003 1.00 0.00 C ATOM 563 CE1 TYR A 37 -3.652 14.496 -1.456 1.00 0.00 C ATOM 564 CE2 TYR A 37 -2.713 12.560 -0.413 1.00 0.00 C ATOM 565 CZ TYR A 37 -2.700 13.918 -0.643 1.00 0.00 C ATOM 566 OH TYR A 37 -1.733 14.704 -0.058 1.00 0.00 O ATOM 0 H TYR A 37 -8.377 10.788 -1.664 1.00 0.00 H new ATOM 0 HA TYR A 37 -6.955 13.184 -2.613 1.00 0.00 H new ATOM 0 HB2 TYR A 37 -5.800 10.533 -1.921 1.00 0.00 H new ATOM 0 HB3 TYR A 37 -5.333 11.167 -3.486 1.00 0.00 H new ATOM 0 HD1 TYR A 37 -5.358 14.162 -2.691 1.00 0.00 H new ATOM 0 HD2 TYR A 37 -3.694 10.713 -0.817 1.00 0.00 H new ATOM 0 HE1 TYR A 37 -3.642 15.562 -1.629 1.00 0.00 H new ATOM 0 HE2 TYR A 37 -1.967 12.110 0.225 1.00 0.00 H new ATOM 0 HH TYR A 37 -0.846 14.397 -0.341 1.00 0.00 H new ATOM 576 N PRO A 38 -7.576 12.624 -4.992 1.00 0.00 N ATOM 577 CA PRO A 38 -8.136 12.391 -6.326 1.00 0.00 C ATOM 578 C PRO A 38 -7.373 11.329 -7.111 1.00 0.00 C ATOM 579 O PRO A 38 -7.973 10.412 -7.672 1.00 0.00 O ATOM 580 CB PRO A 38 -8.007 13.755 -7.007 1.00 0.00 C ATOM 581 CG PRO A 38 -6.872 14.424 -6.314 1.00 0.00 C ATOM 582 CD PRO A 38 -6.898 13.932 -4.895 1.00 0.00 C ATOM 0 HA PRO A 38 -9.158 12.016 -6.274 1.00 0.00 H new ATOM 0 HB2 PRO A 38 -7.810 13.647 -8.074 1.00 0.00 H new ATOM 0 HB3 PRO A 38 -8.926 14.334 -6.910 1.00 0.00 H new ATOM 0 HG2 PRO A 38 -5.924 14.179 -6.794 1.00 0.00 H new ATOM 0 HG3 PRO A 38 -6.977 15.508 -6.352 1.00 0.00 H new ATOM 0 HD2 PRO A 38 -5.892 13.833 -4.487 1.00 0.00 H new ATOM 0 HD3 PRO A 38 -7.440 14.617 -4.243 1.00 0.00 H new ATOM 590 N GLU A 39 -6.050 11.454 -7.149 1.00 0.00 N ATOM 591 CA GLU A 39 -5.217 10.498 -7.870 1.00 0.00 C ATOM 592 C GLU A 39 -5.406 9.094 -7.313 1.00 0.00 C ATOM 593 O GLU A 39 -5.665 8.150 -8.057 1.00 0.00 O ATOM 594 CB GLU A 39 -3.742 10.895 -7.781 1.00 0.00 C ATOM 595 CG GLU A 39 -3.385 12.107 -8.628 1.00 0.00 C ATOM 596 CD GLU A 39 -3.665 11.889 -10.103 1.00 0.00 C ATOM 597 OE1 GLU A 39 -3.210 10.862 -10.647 1.00 0.00 O ATOM 598 OE2 GLU A 39 -4.337 12.747 -10.712 1.00 0.00 O ATOM 0 H GLU A 39 -5.533 12.205 -6.691 1.00 0.00 H new ATOM 0 HA GLU A 39 -5.523 10.507 -8.916 1.00 0.00 H new ATOM 0 HB2 GLU A 39 -3.493 11.103 -6.741 1.00 0.00 H new ATOM 0 HB3 GLU A 39 -3.128 10.050 -8.093 1.00 0.00 H new ATOM 0 HG2 GLU A 39 -3.951 12.970 -8.278 1.00 0.00 H new ATOM 0 HG3 GLU A 39 -2.329 12.342 -8.493 1.00 0.00 H new ATOM 605 N ILE A 40 -5.278 8.967 -6.000 1.00 0.00 N ATOM 606 CA ILE A 40 -5.437 7.680 -5.338 1.00 0.00 C ATOM 607 C ILE A 40 -6.813 7.087 -5.621 1.00 0.00 C ATOM 608 O ILE A 40 -6.936 5.901 -5.931 1.00 0.00 O ATOM 609 CB ILE A 40 -5.233 7.802 -3.818 1.00 0.00 C ATOM 610 CG1 ILE A 40 -3.972 8.622 -3.523 1.00 0.00 C ATOM 611 CG2 ILE A 40 -5.145 6.419 -3.187 1.00 0.00 C ATOM 612 CD1 ILE A 40 -3.532 8.565 -2.079 1.00 0.00 C ATOM 0 H ILE A 40 -5.064 9.741 -5.371 1.00 0.00 H new ATOM 0 HA ILE A 40 -4.673 7.015 -5.740 1.00 0.00 H new ATOM 0 HB ILE A 40 -6.088 8.319 -3.382 1.00 0.00 H new ATOM 0 HG12 ILE A 40 -3.160 8.263 -4.155 1.00 0.00 H new ATOM 0 HG13 ILE A 40 -4.153 9.661 -3.797 1.00 0.00 H new ATOM 0 HG21 ILE A 40 -5.001 6.518 -2.111 1.00 0.00 H new ATOM 0 HG22 ILE A 40 -6.068 5.872 -3.380 1.00 0.00 H new ATOM 0 HG23 ILE A 40 -4.304 5.876 -3.617 1.00 0.00 H new ATOM 0 HD11 ILE A 40 -2.634 9.169 -1.948 1.00 0.00 H new ATOM 0 HD12 ILE A 40 -4.326 8.953 -1.441 1.00 0.00 H new ATOM 0 HD13 ILE A 40 -3.318 7.532 -1.804 1.00 0.00 H new ATOM 624 N ASP A 41 -7.844 7.922 -5.528 1.00 0.00 N ATOM 625 CA ASP A 41 -9.207 7.478 -5.793 1.00 0.00 C ATOM 626 C ASP A 41 -9.341 7.024 -7.243 1.00 0.00 C ATOM 627 O ASP A 41 -10.137 6.139 -7.561 1.00 0.00 O ATOM 628 CB ASP A 41 -10.202 8.603 -5.501 1.00 0.00 C ATOM 629 CG ASP A 41 -10.872 8.451 -4.147 1.00 0.00 C ATOM 630 OD1 ASP A 41 -10.530 7.497 -3.419 1.00 0.00 O ATOM 631 OD2 ASP A 41 -11.739 9.288 -3.819 1.00 0.00 O ATOM 0 H ASP A 41 -7.761 8.906 -5.272 1.00 0.00 H new ATOM 0 HA ASP A 41 -9.430 6.636 -5.137 1.00 0.00 H new ATOM 0 HB2 ASP A 41 -9.684 9.561 -5.541 1.00 0.00 H new ATOM 0 HB3 ASP A 41 -10.964 8.620 -6.280 1.00 0.00 H new ATOM 636 N SER A 42 -8.548 7.636 -8.116 1.00 0.00 N ATOM 637 CA SER A 42 -8.557 7.305 -9.536 1.00 0.00 C ATOM 638 C SER A 42 -7.397 6.381 -9.891 1.00 0.00 C ATOM 639 O SER A 42 -7.190 6.050 -11.058 1.00 0.00 O ATOM 640 CB SER A 42 -8.462 8.582 -10.372 1.00 0.00 C ATOM 641 OG SER A 42 -9.747 9.112 -10.648 1.00 0.00 O ATOM 0 H SER A 42 -7.886 8.369 -7.862 1.00 0.00 H new ATOM 0 HA SER A 42 -9.492 6.790 -9.755 1.00 0.00 H new ATOM 0 HB2 SER A 42 -7.866 9.324 -9.840 1.00 0.00 H new ATOM 0 HB3 SER A 42 -7.945 8.369 -11.308 1.00 0.00 H new ATOM 0 HG SER A 42 -9.656 9.929 -11.182 1.00 0.00 H new ATOM 647 N LYS A 43 -6.633 5.979 -8.881 1.00 0.00 N ATOM 648 CA LYS A 43 -5.485 5.111 -9.092 1.00 0.00 C ATOM 649 C LYS A 43 -5.554 3.872 -8.208 1.00 0.00 C ATOM 650 O LYS A 43 -5.840 2.773 -8.683 1.00 0.00 O ATOM 651 CB LYS A 43 -4.195 5.883 -8.805 1.00 0.00 C ATOM 652 CG LYS A 43 -3.893 6.963 -9.831 1.00 0.00 C ATOM 653 CD LYS A 43 -2.542 6.760 -10.497 1.00 0.00 C ATOM 654 CE LYS A 43 -2.698 6.304 -11.940 1.00 0.00 C ATOM 655 NZ LYS A 43 -1.625 6.849 -12.816 1.00 0.00 N ATOM 0 H LYS A 43 -6.790 6.242 -7.908 1.00 0.00 H new ATOM 0 HA LYS A 43 -5.495 4.783 -10.131 1.00 0.00 H new ATOM 0 HB2 LYS A 43 -4.267 6.340 -7.818 1.00 0.00 H new ATOM 0 HB3 LYS A 43 -3.361 5.182 -8.771 1.00 0.00 H new ATOM 0 HG2 LYS A 43 -4.674 6.968 -10.591 1.00 0.00 H new ATOM 0 HG3 LYS A 43 -3.914 7.939 -9.346 1.00 0.00 H new ATOM 0 HD2 LYS A 43 -1.976 7.691 -10.467 1.00 0.00 H new ATOM 0 HD3 LYS A 43 -1.967 6.020 -9.940 1.00 0.00 H new ATOM 0 HE2 LYS A 43 -2.680 5.215 -11.980 1.00 0.00 H new ATOM 0 HE3 LYS A 43 -3.670 6.621 -12.317 1.00 0.00 H new ATOM 0 HZ1 LYS A 43 -1.749 6.487 -13.783 1.00 0.00 H new ATOM 0 HZ2 LYS A 43 -1.679 7.888 -12.825 1.00 0.00 H new ATOM 0 HZ3 LYS A 43 -0.696 6.554 -12.452 1.00 0.00 H new ATOM 669 N LEU A 44 -5.281 4.057 -6.921 1.00 0.00 N ATOM 670 CA LEU A 44 -5.300 2.952 -5.970 1.00 0.00 C ATOM 671 C LEU A 44 -6.723 2.555 -5.601 1.00 0.00 C ATOM 672 O LEU A 44 -7.640 3.375 -5.632 1.00 0.00 O ATOM 673 CB LEU A 44 -4.518 3.327 -4.712 1.00 0.00 C ATOM 674 CG LEU A 44 -3.040 3.647 -4.940 1.00 0.00 C ATOM 675 CD1 LEU A 44 -2.318 3.824 -3.614 1.00 0.00 C ATOM 676 CD2 LEU A 44 -2.380 2.553 -5.766 1.00 0.00 C ATOM 0 H LEU A 44 -5.044 4.961 -6.513 1.00 0.00 H new ATOM 0 HA LEU A 44 -4.827 2.094 -6.448 1.00 0.00 H new ATOM 0 HB2 LEU A 44 -4.994 4.192 -4.251 1.00 0.00 H new ATOM 0 HB3 LEU A 44 -4.590 2.506 -3.999 1.00 0.00 H new ATOM 0 HG LEU A 44 -2.973 4.584 -5.492 1.00 0.00 H new ATOM 0 HD11 LEU A 44 -1.268 4.051 -3.799 1.00 0.00 H new ATOM 0 HD12 LEU A 44 -2.774 4.643 -3.058 1.00 0.00 H new ATOM 0 HD13 LEU A 44 -2.394 2.905 -3.033 1.00 0.00 H new ATOM 0 HD21 LEU A 44 -1.329 2.797 -5.919 1.00 0.00 H new ATOM 0 HD22 LEU A 44 -2.459 1.602 -5.240 1.00 0.00 H new ATOM 0 HD23 LEU A 44 -2.879 2.476 -6.732 1.00 0.00 H new ATOM 688 N GLN A 45 -6.893 1.286 -5.250 1.00 0.00 N ATOM 689 CA GLN A 45 -8.198 0.760 -4.867 1.00 0.00 C ATOM 690 C GLN A 45 -8.036 -0.438 -3.937 1.00 0.00 C ATOM 691 O GLN A 45 -6.921 -0.789 -3.550 1.00 0.00 O ATOM 692 CB GLN A 45 -8.993 0.358 -6.111 1.00 0.00 C ATOM 693 CG GLN A 45 -10.348 1.041 -6.216 1.00 0.00 C ATOM 694 CD GLN A 45 -11.462 0.078 -6.578 1.00 0.00 C ATOM 695 OE1 GLN A 45 -11.461 -1.077 -6.154 1.00 0.00 O ATOM 696 NE2 GLN A 45 -12.418 0.552 -7.368 1.00 0.00 N ATOM 0 H GLN A 45 -6.140 0.599 -5.223 1.00 0.00 H new ATOM 0 HA GLN A 45 -8.745 1.541 -4.338 1.00 0.00 H new ATOM 0 HB2 GLN A 45 -8.407 0.595 -6.999 1.00 0.00 H new ATOM 0 HB3 GLN A 45 -9.140 -0.722 -6.105 1.00 0.00 H new ATOM 0 HG2 GLN A 45 -10.583 1.521 -5.266 1.00 0.00 H new ATOM 0 HG3 GLN A 45 -10.296 1.829 -6.967 1.00 0.00 H new ATOM 0 HE21 GLN A 45 -12.377 1.517 -7.695 1.00 0.00 H new ATOM 0 HE22 GLN A 45 -13.193 -0.049 -7.647 1.00 0.00 H new ATOM 705 N ARG A 46 -9.152 -1.063 -3.582 1.00 0.00 N ATOM 706 CA ARG A 46 -9.126 -2.222 -2.698 1.00 0.00 C ATOM 707 C ARG A 46 -8.773 -3.487 -3.476 1.00 0.00 C ATOM 708 O ARG A 46 -9.570 -3.980 -4.274 1.00 0.00 O ATOM 709 CB ARG A 46 -10.478 -2.392 -2.004 1.00 0.00 C ATOM 710 CG ARG A 46 -10.572 -1.666 -0.674 1.00 0.00 C ATOM 711 CD ARG A 46 -11.924 -1.880 -0.015 1.00 0.00 C ATOM 712 NE ARG A 46 -13.003 -1.224 -0.750 1.00 0.00 N ATOM 713 CZ ARG A 46 -14.267 -1.181 -0.333 1.00 0.00 C ATOM 714 NH1 ARG A 46 -14.613 -1.755 0.814 1.00 0.00 N ATOM 715 NH2 ARG A 46 -15.185 -0.563 -1.062 1.00 0.00 N ATOM 0 H ARG A 46 -10.084 -0.788 -3.892 1.00 0.00 H new ATOM 0 HA ARG A 46 -8.359 -2.056 -1.941 1.00 0.00 H new ATOM 0 HB2 ARG A 46 -11.265 -2.027 -2.664 1.00 0.00 H new ATOM 0 HB3 ARG A 46 -10.664 -3.454 -1.843 1.00 0.00 H new ATOM 0 HG2 ARG A 46 -9.783 -2.018 -0.010 1.00 0.00 H new ATOM 0 HG3 ARG A 46 -10.406 -0.600 -0.828 1.00 0.00 H new ATOM 0 HD2 ARG A 46 -12.129 -2.948 0.052 1.00 0.00 H new ATOM 0 HD3 ARG A 46 -11.895 -1.496 1.005 1.00 0.00 H new ATOM 0 HE ARG A 46 -12.774 -0.772 -1.635 1.00 0.00 H new ATOM 0 HH11 ARG A 46 -13.909 -2.231 1.379 1.00 0.00 H new ATOM 0 HH12 ARG A 46 -15.582 -1.720 1.130 1.00 0.00 H new ATOM 0 HH21 ARG A 46 -14.924 -0.120 -1.943 1.00 0.00 H new ATOM 0 HH22 ARG A 46 -16.153 -0.530 -0.742 1.00 0.00 H new ATOM 729 N GLY A 47 -7.572 -4.005 -3.237 1.00 0.00 N ATOM 730 CA GLY A 47 -7.132 -5.206 -3.923 1.00 0.00 C ATOM 731 C GLY A 47 -5.884 -4.980 -4.757 1.00 0.00 C ATOM 732 O GLY A 47 -5.660 -5.672 -5.750 1.00 0.00 O ATOM 0 H GLY A 47 -6.896 -3.614 -2.581 1.00 0.00 H new ATOM 0 HA2 GLY A 47 -6.937 -5.988 -3.189 1.00 0.00 H new ATOM 0 HA3 GLY A 47 -7.934 -5.566 -4.567 1.00 0.00 H new ATOM 736 N ASP A 48 -5.070 -4.008 -4.354 1.00 0.00 N ATOM 737 CA ASP A 48 -3.839 -3.693 -5.069 1.00 0.00 C ATOM 738 C ASP A 48 -2.630 -3.838 -4.150 1.00 0.00 C ATOM 739 O ASP A 48 -2.678 -3.455 -2.981 1.00 0.00 O ATOM 740 CB ASP A 48 -3.901 -2.273 -5.633 1.00 0.00 C ATOM 741 CG ASP A 48 -4.588 -2.216 -6.983 1.00 0.00 C ATOM 742 OD1 ASP A 48 -5.827 -2.060 -7.011 1.00 0.00 O ATOM 743 OD2 ASP A 48 -3.888 -2.329 -8.011 1.00 0.00 O ATOM 0 H ASP A 48 -5.242 -3.425 -3.535 1.00 0.00 H new ATOM 0 HA ASP A 48 -3.734 -4.397 -5.894 1.00 0.00 H new ATOM 0 HB2 ASP A 48 -4.431 -1.629 -4.931 1.00 0.00 H new ATOM 0 HB3 ASP A 48 -2.889 -1.878 -5.726 1.00 0.00 H new ATOM 748 N ILE A 49 -1.548 -4.398 -4.680 1.00 0.00 N ATOM 749 CA ILE A 49 -0.331 -4.596 -3.899 1.00 0.00 C ATOM 750 C ILE A 49 0.799 -3.707 -4.406 1.00 0.00 C ATOM 751 O ILE A 49 1.240 -3.843 -5.548 1.00 0.00 O ATOM 752 CB ILE A 49 0.145 -6.065 -3.941 1.00 0.00 C ATOM 753 CG1 ILE A 49 -1.044 -7.031 -3.930 1.00 0.00 C ATOM 754 CG2 ILE A 49 1.079 -6.350 -2.774 1.00 0.00 C ATOM 755 CD1 ILE A 49 -0.754 -8.352 -4.609 1.00 0.00 C ATOM 0 H ILE A 49 -1.488 -4.722 -5.645 1.00 0.00 H new ATOM 0 HA ILE A 49 -0.578 -4.329 -2.871 1.00 0.00 H new ATOM 0 HB ILE A 49 0.691 -6.220 -4.871 1.00 0.00 H new ATOM 0 HG12 ILE A 49 -1.340 -7.219 -2.898 1.00 0.00 H new ATOM 0 HG13 ILE A 49 -1.892 -6.556 -4.423 1.00 0.00 H new ATOM 0 HG21 ILE A 49 1.407 -7.389 -2.816 1.00 0.00 H new ATOM 0 HG22 ILE A 49 1.947 -5.693 -2.833 1.00 0.00 H new ATOM 0 HG23 ILE A 49 0.553 -6.173 -1.836 1.00 0.00 H new ATOM 0 HD11 ILE A 49 -1.639 -8.986 -4.564 1.00 0.00 H new ATOM 0 HD12 ILE A 49 -0.487 -8.175 -5.651 1.00 0.00 H new ATOM 0 HD13 ILE A 49 0.074 -8.848 -4.102 1.00 0.00 H new ATOM 767 N ILE A 50 1.273 -2.804 -3.553 1.00 0.00 N ATOM 768 CA ILE A 50 2.359 -1.907 -3.928 1.00 0.00 C ATOM 769 C ILE A 50 3.690 -2.644 -3.925 1.00 0.00 C ATOM 770 O ILE A 50 4.290 -2.862 -2.873 1.00 0.00 O ATOM 771 CB ILE A 50 2.458 -0.698 -2.981 1.00 0.00 C ATOM 772 CG1 ILE A 50 1.095 -0.026 -2.828 1.00 0.00 C ATOM 773 CG2 ILE A 50 3.488 0.295 -3.498 1.00 0.00 C ATOM 774 CD1 ILE A 50 0.840 0.506 -1.437 1.00 0.00 C ATOM 0 H ILE A 50 0.924 -2.675 -2.603 1.00 0.00 H new ATOM 0 HA ILE A 50 2.136 -1.546 -4.932 1.00 0.00 H new ATOM 0 HB ILE A 50 2.779 -1.050 -2.001 1.00 0.00 H new ATOM 0 HG12 ILE A 50 1.021 0.794 -3.542 1.00 0.00 H new ATOM 0 HG13 ILE A 50 0.314 -0.743 -3.084 1.00 0.00 H new ATOM 0 HG21 ILE A 50 3.547 1.145 -2.818 1.00 0.00 H new ATOM 0 HG22 ILE A 50 4.462 -0.190 -3.559 1.00 0.00 H new ATOM 0 HG23 ILE A 50 3.193 0.642 -4.488 1.00 0.00 H new ATOM 0 HD11 ILE A 50 -0.146 0.970 -1.400 1.00 0.00 H new ATOM 0 HD12 ILE A 50 0.882 -0.314 -0.720 1.00 0.00 H new ATOM 0 HD13 ILE A 50 1.599 1.247 -1.186 1.00 0.00 H new ATOM 786 N THR A 51 4.146 -3.024 -5.110 1.00 0.00 N ATOM 787 CA THR A 51 5.410 -3.741 -5.247 1.00 0.00 C ATOM 788 C THR A 51 6.550 -2.794 -5.621 1.00 0.00 C ATOM 789 O THR A 51 7.672 -3.229 -5.884 1.00 0.00 O ATOM 790 CB THR A 51 5.282 -4.852 -6.292 1.00 0.00 C ATOM 791 OG1 THR A 51 5.353 -4.321 -7.603 1.00 0.00 O ATOM 792 CG2 THR A 51 3.989 -5.634 -6.182 1.00 0.00 C ATOM 0 H THR A 51 3.662 -2.849 -5.991 1.00 0.00 H new ATOM 0 HA THR A 51 5.646 -4.187 -4.281 1.00 0.00 H new ATOM 0 HB THR A 51 6.114 -5.528 -6.095 1.00 0.00 H new ATOM 0 HG1 THR A 51 5.271 -5.048 -8.255 1.00 0.00 H new ATOM 0 HG21 THR A 51 3.964 -6.405 -6.952 1.00 0.00 H new ATOM 0 HG22 THR A 51 3.929 -6.101 -5.199 1.00 0.00 H new ATOM 0 HG23 THR A 51 3.143 -4.959 -6.316 1.00 0.00 H new ATOM 800 N LYS A 52 6.259 -1.496 -5.632 1.00 0.00 N ATOM 801 CA LYS A 52 7.256 -0.482 -5.956 1.00 0.00 C ATOM 802 C LYS A 52 6.902 0.831 -5.272 1.00 0.00 C ATOM 803 O LYS A 52 5.734 1.212 -5.208 1.00 0.00 O ATOM 804 CB LYS A 52 7.351 -0.280 -7.470 1.00 0.00 C ATOM 805 CG LYS A 52 8.677 -0.735 -8.060 1.00 0.00 C ATOM 806 CD LYS A 52 9.291 0.338 -8.946 1.00 0.00 C ATOM 807 CE LYS A 52 10.805 0.204 -9.012 1.00 0.00 C ATOM 808 NZ LYS A 52 11.402 1.145 -10.000 1.00 0.00 N ATOM 0 H LYS A 52 5.335 -1.121 -5.419 1.00 0.00 H new ATOM 0 HA LYS A 52 8.227 -0.822 -5.595 1.00 0.00 H new ATOM 0 HB2 LYS A 52 6.541 -0.826 -7.953 1.00 0.00 H new ATOM 0 HB3 LYS A 52 7.204 0.776 -7.698 1.00 0.00 H new ATOM 0 HG2 LYS A 52 9.369 -0.983 -7.255 1.00 0.00 H new ATOM 0 HG3 LYS A 52 8.525 -1.645 -8.641 1.00 0.00 H new ATOM 0 HD2 LYS A 52 8.874 0.265 -9.950 1.00 0.00 H new ATOM 0 HD3 LYS A 52 9.028 1.324 -8.562 1.00 0.00 H new ATOM 0 HE2 LYS A 52 11.230 0.394 -8.026 1.00 0.00 H new ATOM 0 HE3 LYS A 52 11.068 -0.819 -9.280 1.00 0.00 H new ATOM 0 HZ1 LYS A 52 12.256 1.578 -9.595 1.00 0.00 H new ATOM 0 HZ2 LYS A 52 11.654 0.626 -10.865 1.00 0.00 H new ATOM 0 HZ3 LYS A 52 10.713 1.889 -10.231 1.00 0.00 H new ATOM 822 N PHE A 53 7.912 1.514 -4.749 1.00 0.00 N ATOM 823 CA PHE A 53 7.688 2.777 -4.059 1.00 0.00 C ATOM 824 C PHE A 53 8.884 3.711 -4.215 1.00 0.00 C ATOM 825 O PHE A 53 9.964 3.453 -3.683 1.00 0.00 O ATOM 826 CB PHE A 53 7.410 2.505 -2.579 1.00 0.00 C ATOM 827 CG PHE A 53 7.215 3.744 -1.758 1.00 0.00 C ATOM 828 CD1 PHE A 53 8.305 4.472 -1.311 1.00 0.00 C ATOM 829 CD2 PHE A 53 5.943 4.177 -1.426 1.00 0.00 C ATOM 830 CE1 PHE A 53 8.131 5.609 -0.549 1.00 0.00 C ATOM 831 CE2 PHE A 53 5.760 5.314 -0.663 1.00 0.00 C ATOM 832 CZ PHE A 53 6.855 6.030 -0.226 1.00 0.00 C ATOM 0 H PHE A 53 8.887 1.217 -4.789 1.00 0.00 H new ATOM 0 HA PHE A 53 6.825 3.271 -4.505 1.00 0.00 H new ATOM 0 HB2 PHE A 53 6.519 1.882 -2.496 1.00 0.00 H new ATOM 0 HB3 PHE A 53 8.239 1.933 -2.163 1.00 0.00 H new ATOM 0 HD1 PHE A 53 9.303 4.146 -1.562 1.00 0.00 H new ATOM 0 HD2 PHE A 53 5.083 3.619 -1.767 1.00 0.00 H new ATOM 0 HE1 PHE A 53 8.989 6.168 -0.206 1.00 0.00 H new ATOM 0 HE2 PHE A 53 4.763 5.641 -0.409 1.00 0.00 H new ATOM 0 HZ PHE A 53 6.715 6.920 0.369 1.00 0.00 H new ATOM 842 N ASN A 54 8.680 4.798 -4.954 1.00 0.00 N ATOM 843 CA ASN A 54 9.734 5.780 -5.190 1.00 0.00 C ATOM 844 C ASN A 54 10.969 5.117 -5.793 1.00 0.00 C ATOM 845 O ASN A 54 12.090 5.321 -5.325 1.00 0.00 O ATOM 846 CB ASN A 54 10.101 6.486 -3.881 1.00 0.00 C ATOM 847 CG ASN A 54 9.300 7.755 -3.666 1.00 0.00 C ATOM 848 OD1 ASN A 54 9.821 8.862 -3.803 1.00 0.00 O ATOM 849 ND2 ASN A 54 8.025 7.601 -3.326 1.00 0.00 N ATOM 0 H ASN A 54 7.791 5.021 -5.401 1.00 0.00 H new ATOM 0 HA ASN A 54 9.361 6.518 -5.899 1.00 0.00 H new ATOM 0 HB2 ASN A 54 9.932 5.807 -3.045 1.00 0.00 H new ATOM 0 HB3 ASN A 54 11.164 6.727 -3.887 1.00 0.00 H new ATOM 0 HD21 ASN A 54 7.437 8.419 -3.168 1.00 0.00 H new ATOM 0 HD22 ASN A 54 7.634 6.664 -3.223 1.00 0.00 H new ATOM 856 N GLY A 55 10.756 4.317 -6.832 1.00 0.00 N ATOM 857 CA GLY A 55 11.859 3.632 -7.478 1.00 0.00 C ATOM 858 C GLY A 55 12.530 2.629 -6.561 1.00 0.00 C ATOM 859 O GLY A 55 13.692 2.274 -6.760 1.00 0.00 O ATOM 0 H GLY A 55 9.839 4.131 -7.238 1.00 0.00 H new ATOM 0 HA2 GLY A 55 11.494 3.120 -8.368 1.00 0.00 H new ATOM 0 HA3 GLY A 55 12.594 4.365 -7.811 1.00 0.00 H new ATOM 863 N ASP A 56 11.793 2.170 -5.551 1.00 0.00 N ATOM 864 CA ASP A 56 12.321 1.202 -4.599 1.00 0.00 C ATOM 865 C ASP A 56 11.412 -0.018 -4.520 1.00 0.00 C ATOM 866 O ASP A 56 10.399 -0.007 -3.821 1.00 0.00 O ATOM 867 CB ASP A 56 12.461 1.840 -3.216 1.00 0.00 C ATOM 868 CG ASP A 56 13.205 0.949 -2.242 1.00 0.00 C ATOM 869 OD1 ASP A 56 14.213 0.334 -2.649 1.00 0.00 O ATOM 870 OD2 ASP A 56 12.779 0.864 -1.070 1.00 0.00 O ATOM 0 H ASP A 56 10.830 2.454 -5.373 1.00 0.00 H new ATOM 0 HA ASP A 56 13.305 0.883 -4.942 1.00 0.00 H new ATOM 0 HB2 ASP A 56 12.986 2.791 -3.309 1.00 0.00 H new ATOM 0 HB3 ASP A 56 11.470 2.061 -2.819 1.00 0.00 H new ATOM 875 N ALA A 57 11.781 -1.071 -5.243 1.00 0.00 N ATOM 876 CA ALA A 57 10.998 -2.301 -5.259 1.00 0.00 C ATOM 877 C ALA A 57 10.693 -2.784 -3.845 1.00 0.00 C ATOM 878 O ALA A 57 11.603 -3.059 -3.063 1.00 0.00 O ATOM 879 CB ALA A 57 11.731 -3.381 -6.041 1.00 0.00 C ATOM 0 H ALA A 57 12.618 -1.097 -5.826 1.00 0.00 H new ATOM 0 HA ALA A 57 10.049 -2.089 -5.751 1.00 0.00 H new ATOM 0 HB1 ALA A 57 11.136 -4.294 -6.045 1.00 0.00 H new ATOM 0 HB2 ALA A 57 11.888 -3.045 -7.066 1.00 0.00 H new ATOM 0 HB3 ALA A 57 12.695 -3.578 -5.572 1.00 0.00 H new ATOM 885 N LEU A 58 9.407 -2.886 -3.527 1.00 0.00 N ATOM 886 CA LEU A 58 8.980 -3.340 -2.208 1.00 0.00 C ATOM 887 C LEU A 58 8.755 -4.852 -2.196 1.00 0.00 C ATOM 888 O LEU A 58 8.065 -5.378 -1.322 1.00 0.00 O ATOM 889 CB LEU A 58 7.698 -2.611 -1.788 1.00 0.00 C ATOM 890 CG LEU A 58 7.716 -1.092 -1.993 1.00 0.00 C ATOM 891 CD1 LEU A 58 6.299 -0.544 -2.113 1.00 0.00 C ATOM 892 CD2 LEU A 58 8.453 -0.408 -0.852 1.00 0.00 C ATOM 0 H LEU A 58 8.643 -2.661 -4.164 1.00 0.00 H new ATOM 0 HA LEU A 58 9.771 -3.108 -1.495 1.00 0.00 H new ATOM 0 HB2 LEU A 58 6.861 -3.028 -2.349 1.00 0.00 H new ATOM 0 HB3 LEU A 58 7.510 -2.817 -0.734 1.00 0.00 H new ATOM 0 HG LEU A 58 8.244 -0.882 -2.923 1.00 0.00 H new ATOM 0 HD11 LEU A 58 6.337 0.536 -2.258 1.00 0.00 H new ATOM 0 HD12 LEU A 58 5.801 -1.007 -2.965 1.00 0.00 H new ATOM 0 HD13 LEU A 58 5.744 -0.768 -1.202 1.00 0.00 H new ATOM 0 HD21 LEU A 58 8.456 0.670 -1.015 1.00 0.00 H new ATOM 0 HD22 LEU A 58 7.953 -0.632 0.090 1.00 0.00 H new ATOM 0 HD23 LEU A 58 9.480 -0.771 -0.812 1.00 0.00 H new ATOM 904 N GLU A 59 9.343 -5.547 -3.168 1.00 0.00 N ATOM 905 CA GLU A 59 9.207 -6.996 -3.270 1.00 0.00 C ATOM 906 C GLU A 59 10.098 -7.701 -2.249 1.00 0.00 C ATOM 907 O GLU A 59 11.212 -7.259 -1.970 1.00 0.00 O ATOM 908 CB GLU A 59 9.567 -7.461 -4.684 1.00 0.00 C ATOM 909 CG GLU A 59 8.364 -7.901 -5.504 1.00 0.00 C ATOM 910 CD GLU A 59 8.675 -8.005 -6.984 1.00 0.00 C ATOM 911 OE1 GLU A 59 9.097 -6.988 -7.574 1.00 0.00 O ATOM 912 OE2 GLU A 59 8.495 -9.102 -7.552 1.00 0.00 O ATOM 0 H GLU A 59 9.919 -5.127 -3.897 1.00 0.00 H new ATOM 0 HA GLU A 59 8.169 -7.256 -3.059 1.00 0.00 H new ATOM 0 HB2 GLU A 59 10.075 -6.650 -5.206 1.00 0.00 H new ATOM 0 HB3 GLU A 59 10.273 -8.289 -4.617 1.00 0.00 H new ATOM 0 HG2 GLU A 59 8.015 -8.868 -5.141 1.00 0.00 H new ATOM 0 HG3 GLU A 59 7.549 -7.192 -5.356 1.00 0.00 H new ATOM 919 N GLY A 60 9.596 -8.803 -1.700 1.00 0.00 N ATOM 920 CA GLY A 60 10.357 -9.557 -0.720 1.00 0.00 C ATOM 921 C GLY A 60 10.696 -8.742 0.511 1.00 0.00 C ATOM 922 O GLY A 60 11.667 -9.037 1.209 1.00 0.00 O ATOM 0 H GLY A 60 8.676 -9.187 -1.916 1.00 0.00 H new ATOM 0 HA2 GLY A 60 9.787 -10.437 -0.422 1.00 0.00 H new ATOM 0 HA3 GLY A 60 11.279 -9.915 -1.179 1.00 0.00 H new ATOM 926 N LEU A 61 9.896 -7.716 0.784 1.00 0.00 N ATOM 927 CA LEU A 61 10.120 -6.861 1.943 1.00 0.00 C ATOM 928 C LEU A 61 8.958 -6.964 2.929 1.00 0.00 C ATOM 929 O LEU A 61 7.803 -7.102 2.524 1.00 0.00 O ATOM 930 CB LEU A 61 10.301 -5.406 1.503 1.00 0.00 C ATOM 931 CG LEU A 61 11.702 -5.049 1.003 1.00 0.00 C ATOM 932 CD1 LEU A 61 11.707 -3.666 0.372 1.00 0.00 C ATOM 933 CD2 LEU A 61 12.707 -5.121 2.143 1.00 0.00 C ATOM 0 H LEU A 61 9.088 -7.457 0.218 1.00 0.00 H new ATOM 0 HA LEU A 61 11.028 -7.199 2.442 1.00 0.00 H new ATOM 0 HB2 LEU A 61 9.584 -5.190 0.711 1.00 0.00 H new ATOM 0 HB3 LEU A 61 10.055 -4.756 2.342 1.00 0.00 H new ATOM 0 HG LEU A 61 11.992 -5.773 0.242 1.00 0.00 H new ATOM 0 HD11 LEU A 61 12.712 -3.429 0.022 1.00 0.00 H new ATOM 0 HD12 LEU A 61 11.016 -3.648 -0.471 1.00 0.00 H new ATOM 0 HD13 LEU A 61 11.397 -2.928 1.111 1.00 0.00 H new ATOM 0 HD21 LEU A 61 13.699 -4.864 1.771 1.00 0.00 H new ATOM 0 HD22 LEU A 61 12.420 -4.419 2.926 1.00 0.00 H new ATOM 0 HD23 LEU A 61 12.723 -6.132 2.551 1.00 0.00 H new ATOM 945 N PRO A 62 9.247 -6.895 4.241 1.00 0.00 N ATOM 946 CA PRO A 62 8.215 -6.978 5.280 1.00 0.00 C ATOM 947 C PRO A 62 7.240 -5.810 5.207 1.00 0.00 C ATOM 948 O PRO A 62 7.260 -5.032 4.254 1.00 0.00 O ATOM 949 CB PRO A 62 9.011 -6.929 6.589 1.00 0.00 C ATOM 950 CG PRO A 62 10.314 -6.302 6.227 1.00 0.00 C ATOM 951 CD PRO A 62 10.594 -6.726 4.812 1.00 0.00 C ATOM 0 HA PRO A 62 7.604 -7.875 5.178 1.00 0.00 H new ATOM 0 HB2 PRO A 62 8.489 -6.344 7.346 1.00 0.00 H new ATOM 0 HB3 PRO A 62 9.155 -7.928 7.001 1.00 0.00 H new ATOM 0 HG2 PRO A 62 10.261 -5.216 6.307 1.00 0.00 H new ATOM 0 HG3 PRO A 62 11.107 -6.632 6.898 1.00 0.00 H new ATOM 0 HD2 PRO A 62 11.169 -5.974 4.272 1.00 0.00 H new ATOM 0 HD3 PRO A 62 11.167 -7.653 4.775 1.00 0.00 H new ATOM 959 N PHE A 63 6.385 -5.687 6.218 1.00 0.00 N ATOM 960 CA PHE A 63 5.410 -4.605 6.255 1.00 0.00 C ATOM 961 C PHE A 63 5.949 -3.412 7.033 1.00 0.00 C ATOM 962 O PHE A 63 5.547 -2.273 6.797 1.00 0.00 O ATOM 963 CB PHE A 63 4.093 -5.079 6.874 1.00 0.00 C ATOM 964 CG PHE A 63 2.983 -4.070 6.759 1.00 0.00 C ATOM 965 CD1 PHE A 63 2.868 -3.272 5.630 1.00 0.00 C ATOM 966 CD2 PHE A 63 2.057 -3.919 7.778 1.00 0.00 C ATOM 967 CE1 PHE A 63 1.852 -2.344 5.523 1.00 0.00 C ATOM 968 CE2 PHE A 63 1.037 -2.990 7.674 1.00 0.00 C ATOM 969 CZ PHE A 63 0.936 -2.202 6.544 1.00 0.00 C ATOM 0 H PHE A 63 6.348 -6.320 7.017 1.00 0.00 H new ATOM 0 HA PHE A 63 5.222 -4.294 5.227 1.00 0.00 H new ATOM 0 HB2 PHE A 63 3.784 -6.005 6.389 1.00 0.00 H new ATOM 0 HB3 PHE A 63 4.257 -5.310 7.927 1.00 0.00 H new ATOM 0 HD1 PHE A 63 3.581 -3.378 4.826 1.00 0.00 H new ATOM 0 HD2 PHE A 63 2.132 -4.533 8.663 1.00 0.00 H new ATOM 0 HE1 PHE A 63 1.774 -1.729 4.639 1.00 0.00 H new ATOM 0 HE2 PHE A 63 0.321 -2.881 8.475 1.00 0.00 H new ATOM 0 HZ PHE A 63 0.141 -1.476 6.460 1.00 0.00 H new ATOM 979 N GLN A 64 6.863 -3.674 7.961 1.00 0.00 N ATOM 980 CA GLN A 64 7.455 -2.611 8.765 1.00 0.00 C ATOM 981 C GLN A 64 8.134 -1.578 7.870 1.00 0.00 C ATOM 982 O GLN A 64 7.993 -0.373 8.077 1.00 0.00 O ATOM 983 CB GLN A 64 8.466 -3.190 9.757 1.00 0.00 C ATOM 984 CG GLN A 64 9.455 -4.159 9.128 1.00 0.00 C ATOM 985 CD GLN A 64 9.610 -5.439 9.930 1.00 0.00 C ATOM 986 OE1 GLN A 64 10.615 -5.638 10.611 1.00 0.00 O ATOM 987 NE2 GLN A 64 8.612 -6.311 9.851 1.00 0.00 N ATOM 0 H GLN A 64 7.209 -4.609 8.175 1.00 0.00 H new ATOM 0 HA GLN A 64 6.657 -2.120 9.323 1.00 0.00 H new ATOM 0 HB2 GLN A 64 9.017 -2.371 10.219 1.00 0.00 H new ATOM 0 HB3 GLN A 64 7.927 -3.702 10.554 1.00 0.00 H new ATOM 0 HG2 GLN A 64 9.125 -4.405 8.119 1.00 0.00 H new ATOM 0 HG3 GLN A 64 10.426 -3.672 9.036 1.00 0.00 H new ATOM 0 HE21 GLN A 64 7.798 -6.103 9.273 1.00 0.00 H new ATOM 0 HE22 GLN A 64 8.660 -7.189 10.368 1.00 0.00 H new ATOM 996 N VAL A 65 8.864 -2.062 6.870 1.00 0.00 N ATOM 997 CA VAL A 65 9.561 -1.184 5.940 1.00 0.00 C ATOM 998 C VAL A 65 8.575 -0.473 5.015 1.00 0.00 C ATOM 999 O VAL A 65 8.656 0.740 4.825 1.00 0.00 O ATOM 1000 CB VAL A 65 10.592 -1.959 5.094 1.00 0.00 C ATOM 1001 CG1 VAL A 65 9.907 -3.026 4.253 1.00 0.00 C ATOM 1002 CG2 VAL A 65 11.392 -1.009 4.218 1.00 0.00 C ATOM 0 H VAL A 65 8.987 -3.057 6.684 1.00 0.00 H new ATOM 0 HA VAL A 65 10.090 -0.442 6.538 1.00 0.00 H new ATOM 0 HB VAL A 65 11.284 -2.457 5.773 1.00 0.00 H new ATOM 0 HG11 VAL A 65 10.653 -3.560 3.665 1.00 0.00 H new ATOM 0 HG12 VAL A 65 9.390 -3.728 4.907 1.00 0.00 H new ATOM 0 HG13 VAL A 65 9.187 -2.555 3.584 1.00 0.00 H new ATOM 0 HG21 VAL A 65 12.113 -1.577 3.630 1.00 0.00 H new ATOM 0 HG22 VAL A 65 10.717 -0.476 3.548 1.00 0.00 H new ATOM 0 HG23 VAL A 65 11.920 -0.292 4.847 1.00 0.00 H new ATOM 1012 N CYS A 66 7.641 -1.233 4.451 1.00 0.00 N ATOM 1013 CA CYS A 66 6.638 -0.669 3.552 1.00 0.00 C ATOM 1014 C CYS A 66 5.833 0.414 4.260 1.00 0.00 C ATOM 1015 O CYS A 66 5.735 1.544 3.784 1.00 0.00 O ATOM 1016 CB CYS A 66 5.702 -1.766 3.044 1.00 0.00 C ATOM 1017 SG CYS A 66 6.481 -2.925 1.895 1.00 0.00 S ATOM 0 H CYS A 66 7.557 -2.239 4.600 1.00 0.00 H new ATOM 0 HA CYS A 66 7.154 -0.222 2.702 1.00 0.00 H new ATOM 0 HB2 CYS A 66 5.314 -2.322 3.897 1.00 0.00 H new ATOM 0 HB3 CYS A 66 4.848 -1.301 2.552 1.00 0.00 H new ATOM 0 HG CYS A 66 6.933 -3.951 2.553 1.00 0.00 H new ATOM 1023 N TYR A 67 5.269 0.063 5.407 1.00 0.00 N ATOM 1024 CA TYR A 67 4.483 1.004 6.190 1.00 0.00 C ATOM 1025 C TYR A 67 5.339 2.189 6.626 1.00 0.00 C ATOM 1026 O TYR A 67 4.838 3.300 6.794 1.00 0.00 O ATOM 1027 CB TYR A 67 3.895 0.308 7.417 1.00 0.00 C ATOM 1028 CG TYR A 67 2.951 1.183 8.211 1.00 0.00 C ATOM 1029 CD1 TYR A 67 1.640 1.376 7.797 1.00 0.00 C ATOM 1030 CD2 TYR A 67 3.373 1.817 9.372 1.00 0.00 C ATOM 1031 CE1 TYR A 67 0.775 2.178 8.518 1.00 0.00 C ATOM 1032 CE2 TYR A 67 2.515 2.618 10.099 1.00 0.00 C ATOM 1033 CZ TYR A 67 1.217 2.797 9.669 1.00 0.00 C ATOM 1034 OH TYR A 67 0.360 3.595 10.390 1.00 0.00 O ATOM 0 H TYR A 67 5.342 -0.869 5.816 1.00 0.00 H new ATOM 0 HA TYR A 67 3.670 1.373 5.565 1.00 0.00 H new ATOM 0 HB2 TYR A 67 3.364 -0.589 7.097 1.00 0.00 H new ATOM 0 HB3 TYR A 67 4.709 -0.017 8.065 1.00 0.00 H new ATOM 0 HD1 TYR A 67 1.290 0.892 6.897 1.00 0.00 H new ATOM 0 HD2 TYR A 67 4.389 1.681 9.712 1.00 0.00 H new ATOM 0 HE1 TYR A 67 -0.242 2.319 8.182 1.00 0.00 H new ATOM 0 HE2 TYR A 67 2.859 3.102 11.001 1.00 0.00 H new ATOM 0 HH TYR A 67 -0.242 4.067 9.777 1.00 0.00 H new ATOM 1044 N ALA A 68 6.632 1.938 6.824 1.00 0.00 N ATOM 1045 CA ALA A 68 7.560 2.976 7.264 1.00 0.00 C ATOM 1046 C ALA A 68 7.807 4.035 6.191 1.00 0.00 C ATOM 1047 O ALA A 68 7.689 5.231 6.458 1.00 0.00 O ATOM 1048 CB ALA A 68 8.880 2.345 7.673 1.00 0.00 C ATOM 0 H ALA A 68 7.061 1.023 6.686 1.00 0.00 H new ATOM 0 HA ALA A 68 7.102 3.478 8.116 1.00 0.00 H new ATOM 0 HB1 ALA A 68 9.569 3.123 8.001 1.00 0.00 H new ATOM 0 HB2 ALA A 68 8.710 1.643 8.490 1.00 0.00 H new ATOM 0 HB3 ALA A 68 9.309 1.815 6.823 1.00 0.00 H new ATOM 1054 N LEU A 69 8.153 3.602 4.981 1.00 0.00 N ATOM 1055 CA LEU A 69 8.412 4.544 3.896 1.00 0.00 C ATOM 1056 C LEU A 69 7.128 5.252 3.496 1.00 0.00 C ATOM 1057 O LEU A 69 7.121 6.460 3.261 1.00 0.00 O ATOM 1058 CB LEU A 69 9.029 3.840 2.685 1.00 0.00 C ATOM 1059 CG LEU A 69 8.371 2.516 2.299 1.00 0.00 C ATOM 1060 CD1 LEU A 69 7.684 2.629 0.947 1.00 0.00 C ATOM 1061 CD2 LEU A 69 9.398 1.394 2.286 1.00 0.00 C ATOM 0 H LEU A 69 8.259 2.619 4.729 1.00 0.00 H new ATOM 0 HA LEU A 69 9.128 5.283 4.256 1.00 0.00 H new ATOM 0 HB2 LEU A 69 8.982 4.514 1.830 1.00 0.00 H new ATOM 0 HB3 LEU A 69 10.084 3.657 2.889 1.00 0.00 H new ATOM 0 HG LEU A 69 7.613 2.281 3.046 1.00 0.00 H new ATOM 0 HD11 LEU A 69 7.223 1.675 0.692 1.00 0.00 H new ATOM 0 HD12 LEU A 69 6.917 3.402 0.992 1.00 0.00 H new ATOM 0 HD13 LEU A 69 8.419 2.891 0.186 1.00 0.00 H new ATOM 0 HD21 LEU A 69 8.912 0.459 2.009 1.00 0.00 H new ATOM 0 HD22 LEU A 69 10.180 1.625 1.562 1.00 0.00 H new ATOM 0 HD23 LEU A 69 9.840 1.294 3.277 1.00 0.00 H new ATOM 1073 N PHE A 70 6.033 4.498 3.441 1.00 0.00 N ATOM 1074 CA PHE A 70 4.742 5.070 3.095 1.00 0.00 C ATOM 1075 C PHE A 70 4.359 6.120 4.133 1.00 0.00 C ATOM 1076 O PHE A 70 3.761 7.142 3.808 1.00 0.00 O ATOM 1077 CB PHE A 70 3.669 3.981 3.019 1.00 0.00 C ATOM 1078 CG PHE A 70 3.447 3.454 1.629 1.00 0.00 C ATOM 1079 CD1 PHE A 70 2.537 4.063 0.783 1.00 0.00 C ATOM 1080 CD2 PHE A 70 4.150 2.351 1.171 1.00 0.00 C ATOM 1081 CE1 PHE A 70 2.332 3.584 -0.497 1.00 0.00 C ATOM 1082 CE2 PHE A 70 3.950 1.869 -0.109 1.00 0.00 C ATOM 1083 CZ PHE A 70 3.039 2.486 -0.943 1.00 0.00 C ATOM 0 H PHE A 70 6.017 3.496 3.631 1.00 0.00 H new ATOM 0 HA PHE A 70 4.814 5.540 2.114 1.00 0.00 H new ATOM 0 HB2 PHE A 70 3.954 3.155 3.671 1.00 0.00 H new ATOM 0 HB3 PHE A 70 2.730 4.380 3.402 1.00 0.00 H new ATOM 0 HD1 PHE A 70 1.981 4.922 1.127 1.00 0.00 H new ATOM 0 HD2 PHE A 70 4.861 1.863 1.821 1.00 0.00 H new ATOM 0 HE1 PHE A 70 1.619 4.069 -1.148 1.00 0.00 H new ATOM 0 HE2 PHE A 70 4.506 1.011 -0.456 1.00 0.00 H new ATOM 0 HZ PHE A 70 2.880 2.110 -1.943 1.00 0.00 H new ATOM 1093 N LYS A 71 4.734 5.857 5.382 1.00 0.00 N ATOM 1094 CA LYS A 71 4.460 6.777 6.479 1.00 0.00 C ATOM 1095 C LYS A 71 5.456 7.929 6.456 1.00 0.00 C ATOM 1096 O LYS A 71 5.124 9.063 6.798 1.00 0.00 O ATOM 1097 CB LYS A 71 4.548 6.052 7.823 1.00 0.00 C ATOM 1098 CG LYS A 71 3.217 5.504 8.307 1.00 0.00 C ATOM 1099 CD LYS A 71 3.086 5.625 9.816 1.00 0.00 C ATOM 1100 CE LYS A 71 2.883 7.070 10.245 1.00 0.00 C ATOM 1101 NZ LYS A 71 3.260 7.286 11.669 1.00 0.00 N ATOM 0 H LYS A 71 5.231 5.010 5.659 1.00 0.00 H new ATOM 0 HA LYS A 71 3.450 7.168 6.354 1.00 0.00 H new ATOM 0 HB2 LYS A 71 5.260 5.231 7.737 1.00 0.00 H new ATOM 0 HB3 LYS A 71 4.942 6.739 8.572 1.00 0.00 H new ATOM 0 HG2 LYS A 71 2.402 6.044 7.825 1.00 0.00 H new ATOM 0 HG3 LYS A 71 3.124 4.458 8.014 1.00 0.00 H new ATOM 0 HD2 LYS A 71 2.246 5.021 10.159 1.00 0.00 H new ATOM 0 HD3 LYS A 71 3.981 5.225 10.293 1.00 0.00 H new ATOM 0 HE2 LYS A 71 3.479 7.724 9.609 1.00 0.00 H new ATOM 0 HE3 LYS A 71 1.839 7.348 10.100 1.00 0.00 H new ATOM 0 HZ1 LYS A 71 3.107 8.283 11.921 1.00 0.00 H new ATOM 0 HZ2 LYS A 71 2.674 6.681 12.279 1.00 0.00 H new ATOM 0 HZ3 LYS A 71 4.263 7.045 11.803 1.00 0.00 H new ATOM 1115 N GLY A 72 6.683 7.624 6.043 1.00 0.00 N ATOM 1116 CA GLY A 72 7.718 8.634 5.973 1.00 0.00 C ATOM 1117 C GLY A 72 7.669 9.431 4.682 1.00 0.00 C ATOM 1118 O GLY A 72 8.570 10.220 4.400 1.00 0.00 O ATOM 0 H GLY A 72 6.977 6.691 5.755 1.00 0.00 H new ATOM 0 HA2 GLY A 72 7.615 9.313 6.819 1.00 0.00 H new ATOM 0 HA3 GLY A 72 8.694 8.156 6.064 1.00 0.00 H new ATOM 1122 N ALA A 73 6.613 9.231 3.897 1.00 0.00 N ATOM 1123 CA ALA A 73 6.449 9.942 2.639 1.00 0.00 C ATOM 1124 C ALA A 73 6.033 11.387 2.891 1.00 0.00 C ATOM 1125 O ALA A 73 5.193 11.660 3.748 1.00 0.00 O ATOM 1126 CB ALA A 73 5.420 9.240 1.769 1.00 0.00 C ATOM 0 H ALA A 73 5.858 8.580 4.114 1.00 0.00 H new ATOM 0 HA ALA A 73 7.405 9.946 2.116 1.00 0.00 H new ATOM 0 HB1 ALA A 73 5.307 9.782 0.830 1.00 0.00 H new ATOM 0 HB2 ALA A 73 5.752 8.222 1.563 1.00 0.00 H new ATOM 0 HB3 ALA A 73 4.463 9.211 2.289 1.00 0.00 H new ATOM 1132 N ASN A 74 6.624 12.312 2.144 1.00 0.00 N ATOM 1133 CA ASN A 74 6.305 13.728 2.291 1.00 0.00 C ATOM 1134 C ASN A 74 7.054 14.559 1.260 1.00 0.00 C ATOM 1135 O ASN A 74 8.134 15.086 1.531 1.00 0.00 O ATOM 1136 CB ASN A 74 6.646 14.215 3.701 1.00 0.00 C ATOM 1137 CG ASN A 74 8.087 13.948 4.074 1.00 0.00 C ATOM 1138 OD1 ASN A 74 8.351 12.743 4.553 1.00 0.00 O flip ATOM 1139 ND2 ASN A 74 8.951 14.814 3.932 1.00 0.00 N flip ATOM 0 H ASN A 74 7.325 12.108 1.432 1.00 0.00 H new ATOM 0 HA ASN A 74 5.234 13.850 2.127 1.00 0.00 H new ATOM 0 HB2 ASN A 74 6.449 15.285 3.770 1.00 0.00 H new ATOM 0 HB3 ASN A 74 5.991 13.723 4.420 1.00 0.00 H new ATOM 0 HD21 ASN A 74 8.699 15.729 3.558 1.00 0.00 H new ATOM 0 HD22 ASN A 74 9.918 14.616 4.188 1.00 0.00 H new ATOM 1146 N GLY A 75 6.472 14.669 0.074 1.00 0.00 N ATOM 1147 CA GLY A 75 7.090 15.434 -0.993 1.00 0.00 C ATOM 1148 C GLY A 75 7.000 14.727 -2.330 1.00 0.00 C ATOM 1149 O GLY A 75 7.999 14.227 -2.845 1.00 0.00 O ATOM 0 H GLY A 75 5.579 14.241 -0.170 1.00 0.00 H new ATOM 0 HA2 GLY A 75 6.607 16.408 -1.066 1.00 0.00 H new ATOM 0 HA3 GLY A 75 8.137 15.615 -0.749 1.00 0.00 H new ATOM 1153 N LYS A 76 5.797 14.683 -2.888 1.00 0.00 N ATOM 1154 CA LYS A 76 5.572 14.027 -4.170 1.00 0.00 C ATOM 1155 C LYS A 76 5.938 12.549 -4.091 1.00 0.00 C ATOM 1156 O LYS A 76 7.102 12.176 -4.230 1.00 0.00 O ATOM 1157 CB LYS A 76 6.384 14.709 -5.270 1.00 0.00 C ATOM 1158 CG LYS A 76 5.759 14.572 -6.650 1.00 0.00 C ATOM 1159 CD LYS A 76 4.907 15.781 -7.001 1.00 0.00 C ATOM 1160 CE LYS A 76 3.424 15.459 -6.925 1.00 0.00 C ATOM 1161 NZ LYS A 76 2.930 14.814 -8.173 1.00 0.00 N ATOM 0 H LYS A 76 4.961 15.094 -2.473 1.00 0.00 H new ATOM 0 HA LYS A 76 4.512 14.110 -4.412 1.00 0.00 H new ATOM 0 HB2 LYS A 76 6.491 15.767 -5.030 1.00 0.00 H new ATOM 0 HB3 LYS A 76 7.387 14.283 -5.289 1.00 0.00 H new ATOM 0 HG2 LYS A 76 6.545 14.451 -7.396 1.00 0.00 H new ATOM 0 HG3 LYS A 76 5.146 13.672 -6.685 1.00 0.00 H new ATOM 0 HD2 LYS A 76 5.138 16.600 -6.320 1.00 0.00 H new ATOM 0 HD3 LYS A 76 5.155 16.123 -8.006 1.00 0.00 H new ATOM 0 HE2 LYS A 76 3.239 14.799 -6.078 1.00 0.00 H new ATOM 0 HE3 LYS A 76 2.863 16.375 -6.743 1.00 0.00 H new ATOM 0 HZ1 LYS A 76 1.914 14.611 -8.080 1.00 0.00 H new ATOM 0 HZ2 LYS A 76 3.083 15.454 -8.978 1.00 0.00 H new ATOM 0 HZ3 LYS A 76 3.447 13.926 -8.333 1.00 0.00 H new ATOM 1175 N VAL A 77 4.930 11.717 -3.864 1.00 0.00 N ATOM 1176 CA VAL A 77 5.130 10.275 -3.761 1.00 0.00 C ATOM 1177 C VAL A 77 4.734 9.567 -5.048 1.00 0.00 C ATOM 1178 O VAL A 77 3.853 10.023 -5.772 1.00 0.00 O ATOM 1179 CB VAL A 77 4.317 9.658 -2.606 1.00 0.00 C ATOM 1180 CG1 VAL A 77 5.133 9.662 -1.328 1.00 0.00 C ATOM 1181 CG2 VAL A 77 2.997 10.381 -2.414 1.00 0.00 C ATOM 0 H VAL A 77 3.962 12.016 -3.747 1.00 0.00 H new ATOM 0 HA VAL A 77 6.194 10.134 -3.569 1.00 0.00 H new ATOM 0 HB VAL A 77 4.087 8.624 -2.865 1.00 0.00 H new ATOM 0 HG11 VAL A 77 4.547 9.223 -0.521 1.00 0.00 H new ATOM 0 HG12 VAL A 77 6.042 9.078 -1.475 1.00 0.00 H new ATOM 0 HG13 VAL A 77 5.398 10.687 -1.069 1.00 0.00 H new ATOM 0 HG21 VAL A 77 2.447 9.922 -1.592 1.00 0.00 H new ATOM 0 HG22 VAL A 77 3.187 11.429 -2.183 1.00 0.00 H new ATOM 0 HG23 VAL A 77 2.408 10.312 -3.328 1.00 0.00 H new ATOM 1191 N SER A 78 5.385 8.442 -5.311 1.00 0.00 N ATOM 1192 CA SER A 78 5.107 7.638 -6.494 1.00 0.00 C ATOM 1193 C SER A 78 5.166 6.159 -6.129 1.00 0.00 C ATOM 1194 O SER A 78 6.205 5.667 -5.690 1.00 0.00 O ATOM 1195 CB SER A 78 6.109 7.951 -7.606 1.00 0.00 C ATOM 1196 OG SER A 78 5.924 7.092 -8.717 1.00 0.00 O ATOM 0 H SER A 78 6.118 8.062 -4.713 1.00 0.00 H new ATOM 0 HA SER A 78 4.109 7.879 -6.860 1.00 0.00 H new ATOM 0 HB2 SER A 78 5.994 8.988 -7.921 1.00 0.00 H new ATOM 0 HB3 SER A 78 7.125 7.844 -7.225 1.00 0.00 H new ATOM 0 HG SER A 78 6.576 7.314 -9.414 1.00 0.00 H new ATOM 1202 N MET A 79 4.048 5.458 -6.281 1.00 0.00 N ATOM 1203 CA MET A 79 3.995 4.043 -5.928 1.00 0.00 C ATOM 1204 C MET A 79 3.449 3.185 -7.066 1.00 0.00 C ATOM 1205 O MET A 79 2.342 3.414 -7.552 1.00 0.00 O ATOM 1206 CB MET A 79 3.129 3.840 -4.681 1.00 0.00 C ATOM 1207 CG MET A 79 3.075 5.051 -3.764 1.00 0.00 C ATOM 1208 SD MET A 79 1.657 6.112 -4.095 1.00 0.00 S ATOM 1209 CE MET A 79 0.655 5.791 -2.646 1.00 0.00 C ATOM 0 H MET A 79 3.174 5.841 -6.642 1.00 0.00 H new ATOM 0 HA MET A 79 5.018 3.726 -5.728 1.00 0.00 H new ATOM 0 HB2 MET A 79 2.115 3.587 -4.992 1.00 0.00 H new ATOM 0 HB3 MET A 79 3.512 2.988 -4.119 1.00 0.00 H new ATOM 0 HG2 MET A 79 3.038 4.715 -2.728 1.00 0.00 H new ATOM 0 HG3 MET A 79 3.991 5.630 -3.879 1.00 0.00 H new ATOM 0 HE1 MET A 79 -0.255 6.390 -2.693 1.00 0.00 H new ATOM 0 HE2 MET A 79 0.392 4.734 -2.612 1.00 0.00 H new ATOM 0 HE3 MET A 79 1.217 6.054 -1.750 1.00 0.00 H new ATOM 1219 N GLU A 80 4.220 2.176 -7.467 1.00 0.00 N ATOM 1220 CA GLU A 80 3.790 1.266 -8.524 1.00 0.00 C ATOM 1221 C GLU A 80 2.996 0.117 -7.918 1.00 0.00 C ATOM 1222 O GLU A 80 3.557 -0.776 -7.285 1.00 0.00 O ATOM 1223 CB GLU A 80 4.988 0.725 -9.313 1.00 0.00 C ATOM 1224 CG GLU A 80 4.899 0.988 -10.806 1.00 0.00 C ATOM 1225 CD GLU A 80 6.218 1.449 -11.397 1.00 0.00 C ATOM 1226 OE1 GLU A 80 6.997 2.103 -10.672 1.00 0.00 O ATOM 1227 OE2 GLU A 80 6.470 1.155 -12.584 1.00 0.00 O ATOM 0 H GLU A 80 5.140 1.970 -7.078 1.00 0.00 H new ATOM 0 HA GLU A 80 3.157 1.819 -9.218 1.00 0.00 H new ATOM 0 HB2 GLU A 80 5.901 1.177 -8.926 1.00 0.00 H new ATOM 0 HB3 GLU A 80 5.068 -0.349 -9.145 1.00 0.00 H new ATOM 0 HG2 GLU A 80 4.576 0.079 -11.313 1.00 0.00 H new ATOM 0 HG3 GLU A 80 4.137 1.745 -10.993 1.00 0.00 H new ATOM 1234 N VAL A 81 1.682 0.160 -8.097 1.00 0.00 N ATOM 1235 CA VAL A 81 0.801 -0.864 -7.549 1.00 0.00 C ATOM 1236 C VAL A 81 0.491 -1.956 -8.562 1.00 0.00 C ATOM 1237 O VAL A 81 0.325 -1.691 -9.752 1.00 0.00 O ATOM 1238 CB VAL A 81 -0.521 -0.264 -7.042 1.00 0.00 C ATOM 1239 CG1 VAL A 81 -0.363 0.239 -5.619 1.00 0.00 C ATOM 1240 CG2 VAL A 81 -0.991 0.850 -7.959 1.00 0.00 C ATOM 0 H VAL A 81 1.202 0.894 -8.618 1.00 0.00 H new ATOM 0 HA VAL A 81 1.341 -1.305 -6.711 1.00 0.00 H new ATOM 0 HB VAL A 81 -1.279 -1.047 -7.046 1.00 0.00 H new ATOM 0 HG11 VAL A 81 -1.308 0.661 -5.275 1.00 0.00 H new ATOM 0 HG12 VAL A 81 -0.078 -0.589 -4.970 1.00 0.00 H new ATOM 0 HG13 VAL A 81 0.410 1.007 -5.588 1.00 0.00 H new ATOM 0 HG21 VAL A 81 -1.928 1.261 -7.582 1.00 0.00 H new ATOM 0 HG22 VAL A 81 -0.237 1.637 -7.992 1.00 0.00 H new ATOM 0 HG23 VAL A 81 -1.146 0.454 -8.963 1.00 0.00 H new ATOM 1250 N THR A 82 0.408 -3.189 -8.071 1.00 0.00 N ATOM 1251 CA THR A 82 0.110 -4.336 -8.916 1.00 0.00 C ATOM 1252 C THR A 82 -1.300 -4.851 -8.637 1.00 0.00 C ATOM 1253 O THR A 82 -1.610 -5.256 -7.516 1.00 0.00 O ATOM 1254 CB THR A 82 1.133 -5.450 -8.676 1.00 0.00 C ATOM 1255 OG1 THR A 82 2.432 -5.022 -9.046 1.00 0.00 O ATOM 1256 CG2 THR A 82 0.835 -6.722 -9.439 1.00 0.00 C ATOM 0 H THR A 82 0.544 -3.418 -7.086 1.00 0.00 H new ATOM 0 HA THR A 82 0.167 -4.023 -9.958 1.00 0.00 H new ATOM 0 HB THR A 82 1.073 -5.668 -7.610 1.00 0.00 H new ATOM 0 HG1 THR A 82 2.747 -4.346 -8.411 1.00 0.00 H new ATOM 0 HG21 THR A 82 1.601 -7.466 -9.220 1.00 0.00 H new ATOM 0 HG22 THR A 82 -0.140 -7.106 -9.139 1.00 0.00 H new ATOM 0 HG23 THR A 82 0.829 -6.512 -10.509 1.00 0.00 H new ATOM 1264 N ARG A 83 -2.150 -4.825 -9.658 1.00 0.00 N ATOM 1265 CA ARG A 83 -3.527 -5.284 -9.518 1.00 0.00 C ATOM 1266 C ARG A 83 -3.711 -6.672 -10.127 1.00 0.00 C ATOM 1267 O ARG A 83 -3.958 -6.804 -11.326 1.00 0.00 O ATOM 1268 CB ARG A 83 -4.484 -4.293 -10.185 1.00 0.00 C ATOM 1269 CG ARG A 83 -5.835 -4.192 -9.492 1.00 0.00 C ATOM 1270 CD ARG A 83 -6.974 -4.123 -10.498 1.00 0.00 C ATOM 1271 NE ARG A 83 -8.233 -3.728 -9.874 1.00 0.00 N ATOM 1272 CZ ARG A 83 -8.538 -2.474 -9.546 1.00 0.00 C ATOM 1273 NH1 ARG A 83 -7.676 -1.492 -9.781 1.00 0.00 N ATOM 1274 NH2 ARG A 83 -9.706 -2.200 -8.983 1.00 0.00 N ATOM 0 H ARG A 83 -1.910 -4.491 -10.591 1.00 0.00 H new ATOM 0 HA ARG A 83 -3.754 -5.345 -8.454 1.00 0.00 H new ATOM 0 HB2 ARG A 83 -4.019 -3.307 -10.202 1.00 0.00 H new ATOM 0 HB3 ARG A 83 -4.638 -4.591 -11.222 1.00 0.00 H new ATOM 0 HG2 ARG A 83 -5.976 -5.054 -8.840 1.00 0.00 H new ATOM 0 HG3 ARG A 83 -5.854 -3.306 -8.858 1.00 0.00 H new ATOM 0 HD2 ARG A 83 -6.720 -3.412 -11.284 1.00 0.00 H new ATOM 0 HD3 ARG A 83 -7.095 -5.096 -10.975 1.00 0.00 H new ATOM 0 HE ARG A 83 -8.920 -4.456 -9.677 1.00 0.00 H new ATOM 0 HH11 ARG A 83 -6.776 -1.697 -10.215 1.00 0.00 H new ATOM 0 HH12 ARG A 83 -7.914 -0.533 -9.528 1.00 0.00 H new ATOM 0 HH21 ARG A 83 -10.373 -2.950 -8.800 1.00 0.00 H new ATOM 0 HH22 ARG A 83 -9.938 -1.239 -8.732 1.00 0.00 H new ATOM 1288 N PRO A 84 -3.595 -7.728 -9.304 1.00 0.00 N ATOM 1289 CA PRO A 84 -3.755 -9.108 -9.768 1.00 0.00 C ATOM 1290 C PRO A 84 -5.209 -9.444 -10.078 1.00 0.00 C ATOM 1291 O PRO A 84 -6.082 -8.580 -10.019 1.00 0.00 O ATOM 1292 CB PRO A 84 -3.254 -9.938 -8.587 1.00 0.00 C ATOM 1293 CG PRO A 84 -3.492 -9.080 -7.394 1.00 0.00 C ATOM 1294 CD PRO A 84 -3.304 -7.661 -7.859 1.00 0.00 C ATOM 0 HA PRO A 84 -3.214 -9.295 -10.696 1.00 0.00 H new ATOM 0 HB2 PRO A 84 -3.793 -10.882 -8.510 1.00 0.00 H new ATOM 0 HB3 PRO A 84 -2.197 -10.182 -8.695 1.00 0.00 H new ATOM 0 HG2 PRO A 84 -4.497 -9.231 -6.999 1.00 0.00 H new ATOM 0 HG3 PRO A 84 -2.794 -9.324 -6.593 1.00 0.00 H new ATOM 0 HD2 PRO A 84 -3.980 -6.978 -7.345 1.00 0.00 H new ATOM 0 HD3 PRO A 84 -2.290 -7.308 -7.670 1.00 0.00 H new ATOM 1572 N GLN A 103 -8.588 1.287 9.916 1.00 0.00 N ATOM 1573 CA GLN A 103 -7.473 0.551 9.344 1.00 0.00 C ATOM 1574 C GLN A 103 -6.129 1.188 9.646 1.00 0.00 C ATOM 1575 O GLN A 103 -6.051 2.306 10.150 1.00 0.00 O ATOM 1576 CB GLN A 103 -7.674 0.463 7.834 1.00 0.00 C ATOM 1577 CG GLN A 103 -8.905 -0.331 7.447 1.00 0.00 C ATOM 1578 CD GLN A 103 -8.632 -1.821 7.351 1.00 0.00 C ATOM 1579 OE1 GLN A 103 -8.468 -2.366 6.261 1.00 0.00 O ATOM 1580 NE2 GLN A 103 -8.579 -2.486 8.498 1.00 0.00 N ATOM 0 HA GLN A 103 -7.458 -0.440 9.797 1.00 0.00 H new ATOM 0 HB2 GLN A 103 -7.754 1.470 7.424 1.00 0.00 H new ATOM 0 HB3 GLN A 103 -6.795 0.004 7.382 1.00 0.00 H new ATOM 0 HG2 GLN A 103 -9.691 -0.156 8.181 1.00 0.00 H new ATOM 0 HG3 GLN A 103 -9.278 0.029 6.488 1.00 0.00 H new ATOM 0 HE21 GLN A 103 -8.721 -1.994 9.380 1.00 0.00 H new ATOM 0 HE22 GLN A 103 -8.396 -3.489 8.498 1.00 0.00 H new ATOM 1589 N TYR A 104 -5.066 0.465 9.303 1.00 0.00 N ATOM 1590 CA TYR A 104 -3.716 0.961 9.498 1.00 0.00 C ATOM 1591 C TYR A 104 -3.382 1.894 8.347 1.00 0.00 C ATOM 1592 O TYR A 104 -2.994 1.452 7.267 1.00 0.00 O ATOM 1593 CB TYR A 104 -2.723 -0.204 9.543 1.00 0.00 C ATOM 1594 CG TYR A 104 -1.446 0.102 10.295 1.00 0.00 C ATOM 1595 CD1 TYR A 104 -1.469 0.819 11.485 1.00 0.00 C ATOM 1596 CD2 TYR A 104 -0.215 -0.332 9.816 1.00 0.00 C ATOM 1597 CE1 TYR A 104 -0.305 1.095 12.176 1.00 0.00 C ATOM 1598 CE2 TYR A 104 0.954 -0.061 10.502 1.00 0.00 C ATOM 1599 CZ TYR A 104 0.903 0.653 11.680 1.00 0.00 C ATOM 1600 OH TYR A 104 2.065 0.924 12.366 1.00 0.00 O ATOM 0 H TYR A 104 -5.118 -0.466 8.889 1.00 0.00 H new ATOM 0 HA TYR A 104 -3.648 1.497 10.445 1.00 0.00 H new ATOM 0 HB2 TYR A 104 -3.208 -1.063 10.006 1.00 0.00 H new ATOM 0 HB3 TYR A 104 -2.471 -0.492 8.522 1.00 0.00 H new ATOM 0 HD1 TYR A 104 -2.414 1.167 11.877 1.00 0.00 H new ATOM 0 HD2 TYR A 104 -0.171 -0.890 8.892 1.00 0.00 H new ATOM 0 HE1 TYR A 104 -0.341 1.654 13.099 1.00 0.00 H new ATOM 0 HE2 TYR A 104 1.902 -0.407 10.117 1.00 0.00 H new ATOM 0 HH TYR A 104 2.738 1.274 11.745 1.00 0.00 H new ATOM 1610 N TRP A 105 -3.567 3.182 8.578 1.00 0.00 N ATOM 1611 CA TRP A 105 -3.321 4.179 7.549 1.00 0.00 C ATOM 1612 C TRP A 105 -1.958 4.841 7.726 1.00 0.00 C ATOM 1613 O TRP A 105 -1.511 5.079 8.848 1.00 0.00 O ATOM 1614 CB TRP A 105 -4.425 5.236 7.581 1.00 0.00 C ATOM 1615 CG TRP A 105 -5.821 4.672 7.572 1.00 0.00 C ATOM 1616 CD1 TRP A 105 -6.614 4.400 8.657 1.00 0.00 C ATOM 1617 CD2 TRP A 105 -6.593 4.304 6.425 1.00 0.00 C ATOM 1618 NE1 TRP A 105 -7.835 3.934 8.247 1.00 0.00 N ATOM 1619 CE2 TRP A 105 -7.844 3.858 6.884 1.00 0.00 C ATOM 1620 CE3 TRP A 105 -6.358 4.317 5.053 1.00 0.00 C ATOM 1621 CZ2 TRP A 105 -8.843 3.435 6.023 1.00 0.00 C ATOM 1622 CZ3 TRP A 105 -7.358 3.884 4.204 1.00 0.00 C ATOM 1623 CH2 TRP A 105 -8.584 3.453 4.698 1.00 0.00 C ATOM 0 H TRP A 105 -3.887 3.563 9.469 1.00 0.00 H new ATOM 0 HA TRP A 105 -3.323 3.676 6.582 1.00 0.00 H new ATOM 0 HB2 TRP A 105 -4.299 5.850 8.473 1.00 0.00 H new ATOM 0 HB3 TRP A 105 -4.306 5.895 6.721 1.00 0.00 H new ATOM 0 HD1 TRP A 105 -6.318 4.534 9.687 1.00 0.00 H new ATOM 0 HE1 TRP A 105 -8.611 3.684 8.860 1.00 0.00 H new ATOM 0 HE3 TRP A 105 -5.412 4.659 4.660 1.00 0.00 H new ATOM 0 HZ2 TRP A 105 -9.799 3.101 6.399 1.00 0.00 H new ATOM 0 HZ3 TRP A 105 -7.184 3.880 3.138 1.00 0.00 H new ATOM 0 HH2 TRP A 105 -9.346 3.125 4.007 1.00 0.00 H new ATOM 1634 N VAL A 106 -1.305 5.142 6.606 1.00 0.00 N ATOM 1635 CA VAL A 106 0.005 5.783 6.630 1.00 0.00 C ATOM 1636 C VAL A 106 -0.122 7.301 6.578 1.00 0.00 C ATOM 1637 O VAL A 106 -1.008 7.795 5.849 1.00 0.00 O ATOM 1638 CB VAL A 106 0.888 5.314 5.458 1.00 0.00 C ATOM 1639 CG1 VAL A 106 1.253 3.848 5.622 1.00 0.00 C ATOM 1640 CG2 VAL A 106 0.188 5.553 4.130 1.00 0.00 C ATOM 1641 OXT VAL A 106 0.664 7.984 7.267 1.00 0.00 O ATOM 0 H VAL A 106 -1.663 4.952 5.670 1.00 0.00 H new ATOM 0 HA VAL A 106 0.477 5.492 7.568 1.00 0.00 H new ATOM 0 HB VAL A 106 1.809 5.898 5.464 1.00 0.00 H new ATOM 0 HG11 VAL A 106 1.877 3.533 4.786 1.00 0.00 H new ATOM 0 HG12 VAL A 106 1.800 3.711 6.555 1.00 0.00 H new ATOM 0 HG13 VAL A 106 0.344 3.247 5.643 1.00 0.00 H new ATOM 0 HG21 VAL A 106 0.828 5.215 3.315 1.00 0.00 H new ATOM 0 HG22 VAL A 106 -0.750 4.998 4.108 1.00 0.00 H new ATOM 0 HG23 VAL A 106 -0.017 6.617 4.013 1.00 0.00 H new