USER MOD reduce.3.24.130724 H: found=0, std=0, add=509, rem=0, adj=12 USER MOD reduce.3.24.130724 removed 509 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 Single : A 1 SER N :NH3+ -170:sc= 0 (180deg=-0.132) USER MOD Single : A 1 SER OG : rot 180:sc= 0 USER MOD Single : A 6 SER OG : rot 66:sc= 0.631 USER MOD Single : A 8 CYS SG : rot 81:sc= 0.739 USER MOD Single : A 14 LYS NZ :NH3+ 171:sc= 0.97 (180deg=0.906) USER MOD Single : A 17 ASN : amide:sc= -0.0208 K(o=-0.021,f=-1.2) USER MOD Single : A 32 THR OG1 : rot -76:sc= 0.28 USER MOD Single : A 35 GLN : amide:sc= -0.0335 X(o=-0.033,f=-0.29) USER MOD Single : A 37 THR OG1 : rot 180:sc= 0.353 USER MOD Single : A 48 SER OG : rot -18:sc= 0.702 USER MOD Single : A 50 THR OG1 : rot 123:sc= 0.902 USER MOD Single : A 52 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 53 ASN : amide:sc= -0.262 K(o=-0.26,f=-1.1) USER MOD Single : A 63 LYS NZ :NH3+ -178:sc= 0.931 (180deg=0.927) USER MOD Single : A 64 MET CE :methyl -117:sc= -0.259 (180deg=-0.528) USER MOD Single : A 65 MET CE :methyl -166:sc= -0.0196 (180deg=-0.306) USER MOD Single : A 67 ASN : amide:sc=-0.00782 K(o=-0.0078,f=-1.1) USER MOD Single : A 69 GLN : amide:sc= 0 K(o=0,f=-0.88) USER MOD ----------------------------------------------------------------- ATOM 1 N SER A 1 -15.879 -0.149 4.745 1.00 0.00 N ATOM 2 CA SER A 1 -14.594 -0.704 4.337 1.00 0.00 C ATOM 3 C SER A 1 -13.442 0.185 4.788 1.00 0.00 C ATOM 4 O SER A 1 -12.400 -0.306 5.223 1.00 0.00 O ATOM 5 CB SER A 1 -14.560 -0.891 2.833 1.00 0.00 C ATOM 6 OG SER A 1 -15.561 -1.767 2.388 1.00 0.00 O ATOM 0 H1 SER A 1 -16.629 -0.850 4.577 1.00 0.00 H new ATOM 0 H2 SER A 1 -15.848 0.090 5.757 1.00 0.00 H new ATOM 0 H3 SER A 1 -16.078 0.709 4.192 1.00 0.00 H new ATOM 0 HA SER A 1 -14.475 -1.675 4.818 1.00 0.00 H new ATOM 0 HB2 SER A 1 -14.682 0.076 2.345 1.00 0.00 H new ATOM 0 HB3 SER A 1 -13.584 -1.276 2.538 1.00 0.00 H new ATOM 0 HG SER A 1 -15.506 -1.859 1.414 1.00 0.00 H new ATOM 14 N GLU A 2 -13.635 1.494 4.680 1.00 0.00 N ATOM 15 CA GLU A 2 -12.582 2.454 4.995 1.00 0.00 C ATOM 16 C GLU A 2 -12.204 2.392 6.468 1.00 0.00 C ATOM 17 O GLU A 2 -11.054 2.638 6.834 1.00 0.00 O ATOM 18 CB GLU A 2 -13.021 3.872 4.622 1.00 0.00 C ATOM 19 CG GLU A 2 -13.138 4.122 3.126 1.00 0.00 C ATOM 20 CD GLU A 2 -13.675 5.497 2.842 1.00 0.00 C ATOM 21 OE1 GLU A 2 -14.001 6.191 3.775 1.00 0.00 O ATOM 22 OE2 GLU A 2 -13.655 5.897 1.702 1.00 0.00 O ATOM 0 H GLU A 2 -14.512 1.916 4.376 1.00 0.00 H new ATOM 0 HA GLU A 2 -11.703 2.190 4.407 1.00 0.00 H new ATOM 0 HB2 GLU A 2 -13.985 4.075 5.088 1.00 0.00 H new ATOM 0 HB3 GLU A 2 -12.308 4.582 5.042 1.00 0.00 H new ATOM 0 HG2 GLU A 2 -12.160 4.008 2.659 1.00 0.00 H new ATOM 0 HG3 GLU A 2 -13.794 3.374 2.680 1.00 0.00 H new ATOM 29 N GLU A 3 -13.176 2.062 7.311 1.00 0.00 N ATOM 30 CA GLU A 3 -12.934 1.915 8.741 1.00 0.00 C ATOM 31 C GLU A 3 -12.013 0.736 9.027 1.00 0.00 C ATOM 32 O GLU A 3 -11.194 0.784 9.944 1.00 0.00 O ATOM 33 CB GLU A 3 -14.255 1.745 9.494 1.00 0.00 C ATOM 34 CG GLU A 3 -15.118 2.998 9.542 1.00 0.00 C ATOM 35 CD GLU A 3 -16.442 2.726 10.199 1.00 0.00 C ATOM 36 OE1 GLU A 3 -16.695 1.594 10.534 1.00 0.00 O ATOM 37 OE2 GLU A 3 -17.154 3.664 10.468 1.00 0.00 O ATOM 0 H GLU A 3 -14.141 1.891 7.028 1.00 0.00 H new ATOM 0 HA GLU A 3 -12.442 2.823 9.090 1.00 0.00 H new ATOM 0 HB2 GLU A 3 -14.826 0.943 9.025 1.00 0.00 H new ATOM 0 HB3 GLU A 3 -14.039 1.428 10.514 1.00 0.00 H new ATOM 0 HG2 GLU A 3 -14.593 3.782 10.088 1.00 0.00 H new ATOM 0 HG3 GLU A 3 -15.281 3.368 8.530 1.00 0.00 H new ATOM 44 N GLU A 4 -12.152 -0.321 8.235 1.00 0.00 N ATOM 45 CA GLU A 4 -11.274 -1.480 8.342 1.00 0.00 C ATOM 46 C GLU A 4 -9.916 -1.203 7.709 1.00 0.00 C ATOM 47 O GLU A 4 -8.890 -1.700 8.175 1.00 0.00 O ATOM 48 CB GLU A 4 -11.919 -2.704 7.688 1.00 0.00 C ATOM 49 CG GLU A 4 -13.153 -3.226 8.411 1.00 0.00 C ATOM 50 CD GLU A 4 -13.761 -4.390 7.682 1.00 0.00 C ATOM 51 OE1 GLU A 4 -13.254 -4.750 6.646 1.00 0.00 O ATOM 52 OE2 GLU A 4 -14.664 -4.993 8.213 1.00 0.00 O ATOM 0 H GLU A 4 -12.866 -0.399 7.511 1.00 0.00 H new ATOM 0 HA GLU A 4 -11.121 -1.685 9.402 1.00 0.00 H new ATOM 0 HB2 GLU A 4 -12.193 -2.452 6.664 1.00 0.00 H new ATOM 0 HB3 GLU A 4 -11.180 -3.503 7.633 1.00 0.00 H new ATOM 0 HG2 GLU A 4 -12.883 -3.529 9.423 1.00 0.00 H new ATOM 0 HG3 GLU A 4 -13.889 -2.427 8.502 1.00 0.00 H new ATOM 59 N LEU A 5 -9.916 -0.406 6.645 1.00 0.00 N ATOM 60 CA LEU A 5 -8.680 -0.030 5.971 1.00 0.00 C ATOM 61 C LEU A 5 -7.842 0.902 6.836 1.00 0.00 C ATOM 62 O LEU A 5 -6.622 0.974 6.685 1.00 0.00 O ATOM 63 CB LEU A 5 -8.994 0.631 4.622 1.00 0.00 C ATOM 64 CG LEU A 5 -8.986 -0.314 3.414 1.00 0.00 C ATOM 65 CD1 LEU A 5 -9.651 -1.634 3.780 1.00 0.00 C ATOM 66 CD2 LEU A 5 -9.703 0.346 2.247 1.00 0.00 C ATOM 0 H LEU A 5 -10.759 -0.008 6.231 1.00 0.00 H new ATOM 0 HA LEU A 5 -8.100 -0.936 5.796 1.00 0.00 H new ATOM 0 HB2 LEU A 5 -9.974 1.104 4.687 1.00 0.00 H new ATOM 0 HB3 LEU A 5 -8.268 1.425 4.447 1.00 0.00 H new ATOM 0 HG LEU A 5 -7.957 -0.521 3.121 1.00 0.00 H new ATOM 0 HD11 LEU A 5 -9.641 -2.298 2.916 1.00 0.00 H new ATOM 0 HD12 LEU A 5 -9.108 -2.099 4.602 1.00 0.00 H new ATOM 0 HD13 LEU A 5 -10.681 -1.450 4.084 1.00 0.00 H new ATOM 0 HD21 LEU A 5 -9.697 -0.326 1.389 1.00 0.00 H new ATOM 0 HD22 LEU A 5 -10.733 0.565 2.529 1.00 0.00 H new ATOM 0 HD23 LEU A 5 -9.194 1.274 1.985 1.00 0.00 H new ATOM 78 N SER A 6 -8.503 1.614 7.741 1.00 0.00 N ATOM 79 CA SER A 6 -7.807 2.427 8.733 1.00 0.00 C ATOM 80 C SER A 6 -6.976 1.561 9.670 1.00 0.00 C ATOM 81 O SER A 6 -5.848 1.910 10.017 1.00 0.00 O ATOM 82 CB SER A 6 -8.805 3.253 9.522 1.00 0.00 C ATOM 83 OG SER A 6 -9.446 4.209 8.724 1.00 0.00 O ATOM 0 H SER A 6 -9.520 1.645 7.809 1.00 0.00 H new ATOM 0 HA SER A 6 -7.127 3.098 8.207 1.00 0.00 H new ATOM 0 HB2 SER A 6 -9.551 2.593 9.966 1.00 0.00 H new ATOM 0 HB3 SER A 6 -8.292 3.753 10.344 1.00 0.00 H new ATOM 0 HG SER A 6 -10.007 3.757 8.059 1.00 0.00 H new ATOM 89 N GLU A 7 -7.540 0.429 10.078 1.00 0.00 N ATOM 90 CA GLU A 7 -6.819 -0.534 10.901 1.00 0.00 C ATOM 91 C GLU A 7 -5.677 -1.177 10.123 1.00 0.00 C ATOM 92 O GLU A 7 -4.565 -1.314 10.633 1.00 0.00 O ATOM 93 CB GLU A 7 -7.771 -1.612 11.424 1.00 0.00 C ATOM 94 CG GLU A 7 -8.775 -1.116 12.456 1.00 0.00 C ATOM 95 CD GLU A 7 -9.766 -2.189 12.812 1.00 0.00 C ATOM 96 OE1 GLU A 7 -9.710 -3.243 12.224 1.00 0.00 O ATOM 97 OE2 GLU A 7 -10.507 -1.999 13.747 1.00 0.00 O ATOM 0 H GLU A 7 -8.496 0.156 9.851 1.00 0.00 H new ATOM 0 HA GLU A 7 -6.394 0.004 11.748 1.00 0.00 H new ATOM 0 HB2 GLU A 7 -8.315 -2.039 10.582 1.00 0.00 H new ATOM 0 HB3 GLU A 7 -7.183 -2.417 11.865 1.00 0.00 H new ATOM 0 HG2 GLU A 7 -8.248 -0.792 13.353 1.00 0.00 H new ATOM 0 HG3 GLU A 7 -9.302 -0.246 12.065 1.00 0.00 H new ATOM 104 N CYS A 8 -5.960 -1.571 8.886 1.00 0.00 N ATOM 105 CA CYS A 8 -4.948 -2.169 8.022 1.00 0.00 C ATOM 106 C CYS A 8 -3.814 -1.190 7.744 1.00 0.00 C ATOM 107 O CYS A 8 -2.643 -1.571 7.723 1.00 0.00 O ATOM 108 CB CYS A 8 -5.729 -2.465 6.742 1.00 0.00 C ATOM 109 SG CYS A 8 -6.974 -3.767 6.909 1.00 0.00 S ATOM 0 H CYS A 8 -6.882 -1.487 8.459 1.00 0.00 H new ATOM 0 HA CYS A 8 -4.476 -3.049 8.460 1.00 0.00 H new ATOM 0 HB2 CYS A 8 -6.220 -1.550 6.411 1.00 0.00 H new ATOM 0 HB3 CYS A 8 -5.026 -2.750 5.960 1.00 0.00 H new ATOM 0 HG CYS A 8 -8.046 -3.275 7.455 1.00 0.00 H new ATOM 115 N PHE A 9 -4.167 0.072 7.530 1.00 0.00 N ATOM 116 CA PHE A 9 -3.177 1.119 7.310 1.00 0.00 C ATOM 117 C PHE A 9 -2.183 1.188 8.462 1.00 0.00 C ATOM 118 O PHE A 9 -0.971 1.232 8.247 1.00 0.00 O ATOM 119 CB PHE A 9 -3.862 2.474 7.125 1.00 0.00 C ATOM 120 CG PHE A 9 -2.906 3.617 6.939 1.00 0.00 C ATOM 121 CD1 PHE A 9 -2.347 3.878 5.696 1.00 0.00 C ATOM 122 CD2 PHE A 9 -2.562 4.434 8.006 1.00 0.00 C ATOM 123 CE1 PHE A 9 -1.466 4.929 5.525 1.00 0.00 C ATOM 124 CE2 PHE A 9 -1.684 5.487 7.837 1.00 0.00 C ATOM 125 CZ PHE A 9 -1.135 5.734 6.595 1.00 0.00 C ATOM 0 H PHE A 9 -5.134 0.395 7.504 1.00 0.00 H new ATOM 0 HA PHE A 9 -2.628 0.873 6.401 1.00 0.00 H new ATOM 0 HB2 PHE A 9 -4.523 2.421 6.260 1.00 0.00 H new ATOM 0 HB3 PHE A 9 -4.489 2.675 7.994 1.00 0.00 H new ATOM 0 HD1 PHE A 9 -2.603 3.253 4.853 1.00 0.00 H new ATOM 0 HD2 PHE A 9 -2.986 4.244 8.981 1.00 0.00 H new ATOM 0 HE1 PHE A 9 -1.036 5.120 4.553 1.00 0.00 H new ATOM 0 HE2 PHE A 9 -1.427 6.117 8.676 1.00 0.00 H new ATOM 0 HZ PHE A 9 -0.447 6.556 6.461 1.00 0.00 H new ATOM 135 N ARG A 10 -2.702 1.197 9.685 1.00 0.00 N ATOM 136 CA ARG A 10 -1.859 1.251 10.874 1.00 0.00 C ATOM 137 C ARG A 10 -0.988 0.008 10.989 1.00 0.00 C ATOM 138 O ARG A 10 0.159 0.081 11.429 1.00 0.00 O ATOM 139 CB ARG A 10 -2.670 1.483 12.141 1.00 0.00 C ATOM 140 CG ARG A 10 -3.277 2.872 12.267 1.00 0.00 C ATOM 141 CD ARG A 10 -4.134 3.059 13.466 1.00 0.00 C ATOM 142 NE ARG A 10 -4.728 4.381 13.581 1.00 0.00 N ATOM 143 CZ ARG A 10 -5.605 4.745 14.537 1.00 0.00 C ATOM 144 NH1 ARG A 10 -6.022 3.883 15.438 1.00 0.00 N ATOM 145 NH2 ARG A 10 -6.055 5.987 14.531 1.00 0.00 N ATOM 0 H ARG A 10 -3.703 1.168 9.879 1.00 0.00 H new ATOM 0 HA ARG A 10 -1.199 2.111 10.760 1.00 0.00 H new ATOM 0 HB2 ARG A 10 -3.473 0.747 12.181 1.00 0.00 H new ATOM 0 HB3 ARG A 10 -2.029 1.303 13.004 1.00 0.00 H new ATOM 0 HG2 ARG A 10 -2.472 3.606 12.292 1.00 0.00 H new ATOM 0 HG3 ARG A 10 -3.869 3.079 11.376 1.00 0.00 H new ATOM 0 HD2 ARG A 10 -4.932 2.316 13.447 1.00 0.00 H new ATOM 0 HD3 ARG A 10 -3.538 2.863 14.357 1.00 0.00 H new ATOM 0 HE ARG A 10 -4.462 5.082 12.889 1.00 0.00 H new ATOM 0 HH11 ARG A 10 -5.681 2.922 15.420 1.00 0.00 H new ATOM 0 HH12 ARG A 10 -6.686 4.176 16.155 1.00 0.00 H new ATOM 0 HH21 ARG A 10 -5.738 6.641 13.815 1.00 0.00 H new ATOM 0 HH22 ARG A 10 -6.720 6.292 15.242 1.00 0.00 H new ATOM 159 N ILE A 11 -1.539 -1.133 10.591 1.00 0.00 N ATOM 160 CA ILE A 11 -0.784 -2.381 10.568 1.00 0.00 C ATOM 161 C ILE A 11 0.337 -2.328 9.539 1.00 0.00 C ATOM 162 O ILE A 11 1.448 -2.790 9.794 1.00 0.00 O ATOM 163 CB ILE A 11 -1.694 -3.585 10.261 1.00 0.00 C ATOM 164 CG1 ILE A 11 -2.665 -3.829 11.419 1.00 0.00 C ATOM 165 CG2 ILE A 11 -0.859 -4.827 9.991 1.00 0.00 C ATOM 166 CD1 ILE A 11 -3.788 -4.785 11.083 1.00 0.00 C ATOM 0 H ILE A 11 -2.506 -1.220 10.280 1.00 0.00 H new ATOM 0 HA ILE A 11 -0.354 -2.507 11.562 1.00 0.00 H new ATOM 0 HB ILE A 11 -2.275 -3.362 9.366 1.00 0.00 H new ATOM 0 HG12 ILE A 11 -2.109 -4.221 12.271 1.00 0.00 H new ATOM 0 HG13 ILE A 11 -3.093 -2.876 11.729 1.00 0.00 H new ATOM 0 HG21 ILE A 11 -1.518 -5.668 9.776 1.00 0.00 H new ATOM 0 HG22 ILE A 11 -0.207 -4.648 9.136 1.00 0.00 H new ATOM 0 HG23 ILE A 11 -0.253 -5.056 10.868 1.00 0.00 H new ATOM 0 HD11 ILE A 11 -4.434 -4.907 11.952 1.00 0.00 H new ATOM 0 HD12 ILE A 11 -4.370 -4.385 10.252 1.00 0.00 H new ATOM 0 HD13 ILE A 11 -3.371 -5.752 10.802 1.00 0.00 H new ATOM 178 N PHE A 12 0.037 -1.762 8.374 1.00 0.00 N ATOM 179 CA PHE A 12 0.961 -1.797 7.246 1.00 0.00 C ATOM 180 C PHE A 12 2.052 -0.745 7.394 1.00 0.00 C ATOM 181 O PHE A 12 3.155 -0.905 6.871 1.00 0.00 O ATOM 182 CB PHE A 12 0.205 -1.590 5.932 1.00 0.00 C ATOM 183 CG PHE A 12 -0.793 -2.672 5.629 1.00 0.00 C ATOM 184 CD1 PHE A 12 -0.660 -3.934 6.190 1.00 0.00 C ATOM 185 CD2 PHE A 12 -1.864 -2.431 4.784 1.00 0.00 C ATOM 186 CE1 PHE A 12 -1.578 -4.929 5.912 1.00 0.00 C ATOM 187 CE2 PHE A 12 -2.783 -3.424 4.505 1.00 0.00 C ATOM 188 CZ PHE A 12 -2.640 -4.675 5.071 1.00 0.00 C ATOM 0 H PHE A 12 -0.839 -1.274 8.187 1.00 0.00 H new ATOM 0 HA PHE A 12 1.436 -2.778 7.232 1.00 0.00 H new ATOM 0 HB2 PHE A 12 -0.312 -0.631 5.969 1.00 0.00 H new ATOM 0 HB3 PHE A 12 0.924 -1.533 5.115 1.00 0.00 H new ATOM 0 HD1 PHE A 12 0.169 -4.141 6.850 1.00 0.00 H new ATOM 0 HD2 PHE A 12 -1.982 -1.455 4.338 1.00 0.00 H new ATOM 0 HE1 PHE A 12 -1.463 -5.907 6.355 1.00 0.00 H new ATOM 0 HE2 PHE A 12 -3.613 -3.222 3.844 1.00 0.00 H new ATOM 0 HZ PHE A 12 -3.358 -5.452 4.855 1.00 0.00 H new ATOM 198 N ASP A 13 1.738 0.330 8.109 1.00 0.00 N ATOM 199 CA ASP A 13 2.720 1.366 8.407 1.00 0.00 C ATOM 200 C ASP A 13 3.673 0.921 9.510 1.00 0.00 C ATOM 201 O ASP A 13 3.542 1.338 10.661 1.00 0.00 O ATOM 202 CB ASP A 13 2.022 2.667 8.808 1.00 0.00 C ATOM 203 CG ASP A 13 2.962 3.850 9.003 1.00 0.00 C ATOM 204 OD1 ASP A 13 4.135 3.698 8.760 1.00 0.00 O ATOM 205 OD2 ASP A 13 2.480 4.931 9.242 1.00 0.00 O ATOM 0 H ASP A 13 0.810 0.507 8.493 1.00 0.00 H new ATOM 0 HA ASP A 13 3.303 1.542 7.503 1.00 0.00 H new ATOM 0 HB2 ASP A 13 1.289 2.923 8.043 1.00 0.00 H new ATOM 0 HB3 ASP A 13 1.471 2.499 9.734 1.00 0.00 H new ATOM 210 N LYS A 14 4.630 0.073 9.152 1.00 0.00 N ATOM 211 CA LYS A 14 5.548 -0.503 10.129 1.00 0.00 C ATOM 212 C LYS A 14 6.495 0.553 10.683 1.00 0.00 C ATOM 213 O LYS A 14 6.856 0.519 11.859 1.00 0.00 O ATOM 214 CB LYS A 14 6.345 -1.649 9.503 1.00 0.00 C ATOM 215 CG LYS A 14 5.523 -2.893 9.194 1.00 0.00 C ATOM 216 CD LYS A 14 6.374 -3.972 8.543 1.00 0.00 C ATOM 217 CE LYS A 14 5.550 -5.210 8.223 1.00 0.00 C ATOM 218 NZ LYS A 14 6.354 -6.247 7.519 1.00 0.00 N ATOM 0 H LYS A 14 4.791 -0.232 8.192 1.00 0.00 H new ATOM 0 HA LYS A 14 4.954 -0.895 10.955 1.00 0.00 H new ATOM 0 HB2 LYS A 14 6.805 -1.294 8.581 1.00 0.00 H new ATOM 0 HB3 LYS A 14 7.156 -1.923 10.178 1.00 0.00 H new ATOM 0 HG2 LYS A 14 5.084 -3.279 10.114 1.00 0.00 H new ATOM 0 HG3 LYS A 14 4.697 -2.630 8.533 1.00 0.00 H new ATOM 0 HD2 LYS A 14 6.820 -3.583 7.628 1.00 0.00 H new ATOM 0 HD3 LYS A 14 7.195 -4.241 9.208 1.00 0.00 H new ATOM 0 HE2 LYS A 14 5.149 -5.627 9.146 1.00 0.00 H new ATOM 0 HE3 LYS A 14 4.698 -4.929 7.604 1.00 0.00 H new ATOM 0 HZ1 LYS A 14 5.805 -7.128 7.455 1.00 0.00 H new ATOM 0 HZ2 LYS A 14 6.588 -5.914 6.562 1.00 0.00 H new ATOM 0 HZ3 LYS A 14 7.232 -6.424 8.048 1.00 0.00 H new ATOM 232 N ASP A 15 6.895 1.489 9.829 1.00 0.00 N ATOM 233 CA ASP A 15 7.786 2.567 10.239 1.00 0.00 C ATOM 234 C ASP A 15 7.072 3.559 11.150 1.00 0.00 C ATOM 235 O ASP A 15 7.687 4.165 12.026 1.00 0.00 O ATOM 236 CB ASP A 15 8.349 3.292 9.013 1.00 0.00 C ATOM 237 CG ASP A 15 9.408 2.508 8.249 1.00 0.00 C ATOM 238 OD1 ASP A 15 9.890 1.532 8.774 1.00 0.00 O ATOM 239 OD2 ASP A 15 9.611 2.793 7.093 1.00 0.00 O ATOM 0 H ASP A 15 6.616 1.522 8.848 1.00 0.00 H new ATOM 0 HA ASP A 15 8.609 2.123 10.799 1.00 0.00 H new ATOM 0 HB2 ASP A 15 7.528 3.525 8.335 1.00 0.00 H new ATOM 0 HB3 ASP A 15 8.778 4.242 9.333 1.00 0.00 H new ATOM 244 N GLY A 16 5.770 3.717 10.936 1.00 0.00 N ATOM 245 CA GLY A 16 4.973 4.650 11.724 1.00 0.00 C ATOM 246 C GLY A 16 5.188 6.086 11.261 1.00 0.00 C ATOM 247 O GLY A 16 5.261 7.005 12.075 1.00 0.00 O ATOM 0 H GLY A 16 5.244 3.211 10.223 1.00 0.00 H new ATOM 0 HA2 GLY A 16 3.917 4.392 11.640 1.00 0.00 H new ATOM 0 HA3 GLY A 16 5.240 4.561 12.777 1.00 0.00 H new ATOM 251 N ASN A 17 5.289 6.270 9.949 1.00 0.00 N ATOM 252 CA ASN A 17 5.614 7.573 9.382 1.00 0.00 C ATOM 253 C ASN A 17 4.353 8.342 9.008 1.00 0.00 C ATOM 254 O ASN A 17 4.409 9.532 8.697 1.00 0.00 O ATOM 255 CB ASN A 17 6.525 7.441 8.176 1.00 0.00 C ATOM 256 CG ASN A 17 7.920 6.998 8.517 1.00 0.00 C ATOM 257 OD1 ASN A 17 8.414 7.232 9.626 1.00 0.00 O ATOM 258 ND2 ASN A 17 8.587 6.431 7.544 1.00 0.00 N ATOM 0 H ASN A 17 5.150 5.533 9.258 1.00 0.00 H new ATOM 0 HA ASN A 17 6.145 8.135 10.150 1.00 0.00 H new ATOM 0 HB2 ASN A 17 6.087 6.727 7.478 1.00 0.00 H new ATOM 0 HB3 ASN A 17 6.574 8.401 7.662 1.00 0.00 H new ATOM 0 HD21 ASN A 17 9.561 6.161 7.683 1.00 0.00 H new ATOM 0 HD22 ASN A 17 8.133 6.259 6.647 1.00 0.00 H new ATOM 265 N GLY A 18 3.217 7.655 9.039 1.00 0.00 N ATOM 266 CA GLY A 18 1.942 8.264 8.677 1.00 0.00 C ATOM 267 C GLY A 18 1.630 8.050 7.201 1.00 0.00 C ATOM 268 O GLY A 18 0.759 8.714 6.639 1.00 0.00 O ATOM 0 H GLY A 18 3.153 6.674 9.312 1.00 0.00 H new ATOM 0 HA2 GLY A 18 1.145 7.836 9.286 1.00 0.00 H new ATOM 0 HA3 GLY A 18 1.971 9.332 8.894 1.00 0.00 H new ATOM 272 N PHE A 19 2.346 7.121 6.578 1.00 0.00 N ATOM 273 CA PHE A 19 2.106 6.776 5.182 1.00 0.00 C ATOM 274 C PHE A 19 2.737 5.435 4.830 1.00 0.00 C ATOM 275 O PHE A 19 3.534 4.892 5.595 1.00 0.00 O ATOM 276 CB PHE A 19 2.646 7.871 4.261 1.00 0.00 C ATOM 277 CG PHE A 19 4.123 8.108 4.403 1.00 0.00 C ATOM 278 CD1 PHE A 19 5.035 7.339 3.695 1.00 0.00 C ATOM 279 CD2 PHE A 19 4.604 9.099 5.245 1.00 0.00 C ATOM 280 CE1 PHE A 19 6.393 7.557 3.825 1.00 0.00 C ATOM 281 CE2 PHE A 19 5.960 9.320 5.376 1.00 0.00 C ATOM 282 CZ PHE A 19 6.856 8.547 4.665 1.00 0.00 C ATOM 0 H PHE A 19 3.099 6.592 7.019 1.00 0.00 H new ATOM 0 HA PHE A 19 1.029 6.692 5.038 1.00 0.00 H new ATOM 0 HB2 PHE A 19 2.428 7.604 3.227 1.00 0.00 H new ATOM 0 HB3 PHE A 19 2.117 8.801 4.468 1.00 0.00 H new ATOM 0 HD1 PHE A 19 4.680 6.561 3.035 1.00 0.00 H new ATOM 0 HD2 PHE A 19 3.908 9.706 5.806 1.00 0.00 H new ATOM 0 HE1 PHE A 19 7.092 6.951 3.268 1.00 0.00 H new ATOM 0 HE2 PHE A 19 6.320 10.097 6.034 1.00 0.00 H new ATOM 0 HZ PHE A 19 7.918 8.718 4.767 1.00 0.00 H new ATOM 292 N ILE A 20 2.377 4.905 3.665 1.00 0.00 N ATOM 293 CA ILE A 20 2.893 3.618 3.217 1.00 0.00 C ATOM 294 C ILE A 20 4.116 3.795 2.326 1.00 0.00 C ATOM 295 O ILE A 20 4.045 4.444 1.282 1.00 0.00 O ATOM 296 CB ILE A 20 1.824 2.815 2.453 1.00 0.00 C ATOM 297 CG1 ILE A 20 0.600 2.577 3.340 1.00 0.00 C ATOM 298 CG2 ILE A 20 2.398 1.493 1.967 1.00 0.00 C ATOM 299 CD1 ILE A 20 0.905 1.815 4.609 1.00 0.00 C ATOM 0 H ILE A 20 1.729 5.348 3.014 1.00 0.00 H new ATOM 0 HA ILE A 20 3.177 3.065 4.112 1.00 0.00 H new ATOM 0 HB ILE A 20 1.512 3.394 1.584 1.00 0.00 H new ATOM 0 HG12 ILE A 20 0.160 3.539 3.602 1.00 0.00 H new ATOM 0 HG13 ILE A 20 -0.150 2.029 2.769 1.00 0.00 H new ATOM 0 HG21 ILE A 20 1.629 0.938 1.429 1.00 0.00 H new ATOM 0 HG22 ILE A 20 3.240 1.685 1.302 1.00 0.00 H new ATOM 0 HG23 ILE A 20 2.737 0.907 2.822 1.00 0.00 H new ATOM 0 HD11 ILE A 20 -0.011 1.686 5.185 1.00 0.00 H new ATOM 0 HD12 ILE A 20 1.316 0.838 4.357 1.00 0.00 H new ATOM 0 HD13 ILE A 20 1.631 2.372 5.202 1.00 0.00 H new ATOM 311 N ASP A 21 5.236 3.215 2.744 1.00 0.00 N ATOM 312 CA ASP A 21 6.463 3.266 1.959 1.00 0.00 C ATOM 313 C ASP A 21 6.447 2.233 0.841 1.00 0.00 C ATOM 314 O ASP A 21 5.570 1.370 0.792 1.00 0.00 O ATOM 315 CB ASP A 21 7.684 3.049 2.858 1.00 0.00 C ATOM 316 CG ASP A 21 8.971 3.670 2.332 1.00 0.00 C ATOM 317 OD1 ASP A 21 8.949 4.210 1.252 1.00 0.00 O ATOM 318 OD2 ASP A 21 9.921 3.737 3.075 1.00 0.00 O ATOM 0 H ASP A 21 5.319 2.704 3.623 1.00 0.00 H new ATOM 0 HA ASP A 21 6.527 4.256 1.507 1.00 0.00 H new ATOM 0 HB2 ASP A 21 7.472 3.462 3.844 1.00 0.00 H new ATOM 0 HB3 ASP A 21 7.838 1.978 2.988 1.00 0.00 H new ATOM 323 N ARG A 22 7.421 2.325 -0.057 1.00 0.00 N ATOM 324 CA ARG A 22 7.533 1.385 -1.167 1.00 0.00 C ATOM 325 C ARG A 22 7.803 -0.028 -0.668 1.00 0.00 C ATOM 326 O ARG A 22 7.199 -0.990 -1.140 1.00 0.00 O ATOM 327 CB ARG A 22 8.570 1.823 -2.189 1.00 0.00 C ATOM 328 CG ARG A 22 8.640 0.962 -3.440 1.00 0.00 C ATOM 329 CD ARG A 22 9.687 1.374 -4.410 1.00 0.00 C ATOM 330 NE ARG A 22 11.050 1.195 -3.938 1.00 0.00 N ATOM 331 CZ ARG A 22 11.728 0.032 -3.981 1.00 0.00 C ATOM 332 NH1 ARG A 22 11.164 -1.065 -4.437 1.00 0.00 N ATOM 333 NH2 ARG A 22 12.970 0.016 -3.528 1.00 0.00 N ATOM 0 H ARG A 22 8.146 3.042 -0.038 1.00 0.00 H new ATOM 0 HA ARG A 22 6.571 1.380 -1.679 1.00 0.00 H new ATOM 0 HB2 ARG A 22 8.356 2.850 -2.484 1.00 0.00 H new ATOM 0 HB3 ARG A 22 9.550 1.826 -1.712 1.00 0.00 H new ATOM 0 HG2 ARG A 22 8.821 -0.072 -3.145 1.00 0.00 H new ATOM 0 HG3 ARG A 22 7.671 0.986 -3.938 1.00 0.00 H new ATOM 0 HD2 ARG A 22 9.557 0.804 -5.330 1.00 0.00 H new ATOM 0 HD3 ARG A 22 9.538 2.424 -4.662 1.00 0.00 H new ATOM 0 HE ARG A 22 11.527 2.007 -3.547 1.00 0.00 H new ATOM 0 HH11 ARG A 22 10.198 -1.044 -4.765 1.00 0.00 H new ATOM 0 HH12 ARG A 22 11.692 -1.937 -4.463 1.00 0.00 H new ATOM 0 HH21 ARG A 22 13.389 0.869 -3.159 1.00 0.00 H new ATOM 0 HH22 ARG A 22 13.509 -0.850 -3.547 1.00 0.00 H new ATOM 347 N GLU A 23 8.716 -0.146 0.291 1.00 0.00 N ATOM 348 CA GLU A 23 9.046 -1.439 0.879 1.00 0.00 C ATOM 349 C GLU A 23 7.886 -1.984 1.700 1.00 0.00 C ATOM 350 O GLU A 23 7.628 -3.187 1.707 1.00 0.00 O ATOM 351 CB GLU A 23 10.300 -1.327 1.749 1.00 0.00 C ATOM 352 CG GLU A 23 11.587 -1.095 0.970 1.00 0.00 C ATOM 353 CD GLU A 23 12.754 -0.881 1.894 1.00 0.00 C ATOM 354 OE1 GLU A 23 12.547 -0.849 3.084 1.00 0.00 O ATOM 355 OE2 GLU A 23 13.865 -0.861 1.421 1.00 0.00 O ATOM 0 H GLU A 23 9.241 0.639 0.677 1.00 0.00 H new ATOM 0 HA GLU A 23 9.242 -2.135 0.064 1.00 0.00 H new ATOM 0 HB2 GLU A 23 10.165 -0.508 2.456 1.00 0.00 H new ATOM 0 HB3 GLU A 23 10.404 -2.240 2.335 1.00 0.00 H new ATOM 0 HG2 GLU A 23 11.783 -1.951 0.325 1.00 0.00 H new ATOM 0 HG3 GLU A 23 11.470 -0.227 0.321 1.00 0.00 H new ATOM 362 N GLU A 24 7.188 -1.091 2.394 1.00 0.00 N ATOM 363 CA GLU A 24 5.995 -1.465 3.143 1.00 0.00 C ATOM 364 C GLU A 24 4.876 -1.911 2.209 1.00 0.00 C ATOM 365 O GLU A 24 4.104 -2.813 2.536 1.00 0.00 O ATOM 366 CB GLU A 24 5.520 -0.299 4.013 1.00 0.00 C ATOM 367 CG GLU A 24 6.427 0.014 5.194 1.00 0.00 C ATOM 368 CD GLU A 24 6.011 1.285 5.881 1.00 0.00 C ATOM 369 OE1 GLU A 24 5.156 1.963 5.366 1.00 0.00 O ATOM 370 OE2 GLU A 24 6.467 1.522 6.975 1.00 0.00 O ATOM 0 H GLU A 24 7.429 -0.102 2.453 1.00 0.00 H new ATOM 0 HA GLU A 24 6.256 -2.304 3.788 1.00 0.00 H new ATOM 0 HB2 GLU A 24 5.434 0.592 3.390 1.00 0.00 H new ATOM 0 HB3 GLU A 24 4.521 -0.524 4.387 1.00 0.00 H new ATOM 0 HG2 GLU A 24 6.400 -0.812 5.905 1.00 0.00 H new ATOM 0 HG3 GLU A 24 7.457 0.105 4.850 1.00 0.00 H new ATOM 377 N PHE A 25 4.794 -1.273 1.047 1.00 0.00 N ATOM 378 CA PHE A 25 3.818 -1.653 0.032 1.00 0.00 C ATOM 379 C PHE A 25 4.100 -3.051 -0.507 1.00 0.00 C ATOM 380 O PHE A 25 3.180 -3.834 -0.739 1.00 0.00 O ATOM 381 CB PHE A 25 3.814 -0.639 -1.113 1.00 0.00 C ATOM 382 CG PHE A 25 2.844 -0.968 -2.211 1.00 0.00 C ATOM 383 CD1 PHE A 25 1.484 -0.753 -2.042 1.00 0.00 C ATOM 384 CD2 PHE A 25 3.288 -1.494 -3.414 1.00 0.00 C ATOM 385 CE1 PHE A 25 0.591 -1.055 -3.052 1.00 0.00 C ATOM 386 CE2 PHE A 25 2.398 -1.796 -4.426 1.00 0.00 C ATOM 387 CZ PHE A 25 1.047 -1.576 -4.245 1.00 0.00 C ATOM 0 H PHE A 25 5.392 -0.490 0.784 1.00 0.00 H new ATOM 0 HA PHE A 25 2.834 -1.661 0.501 1.00 0.00 H new ATOM 0 HB2 PHE A 25 3.575 0.346 -0.713 1.00 0.00 H new ATOM 0 HB3 PHE A 25 4.817 -0.577 -1.534 1.00 0.00 H new ATOM 0 HD1 PHE A 25 1.119 -0.345 -1.111 1.00 0.00 H new ATOM 0 HD2 PHE A 25 4.343 -1.670 -3.562 1.00 0.00 H new ATOM 0 HE1 PHE A 25 -0.465 -0.883 -2.907 1.00 0.00 H new ATOM 0 HE2 PHE A 25 2.759 -2.204 -5.359 1.00 0.00 H new ATOM 0 HZ PHE A 25 0.349 -1.811 -5.035 1.00 0.00 H new ATOM 397 N GLY A 26 5.378 -3.356 -0.705 1.00 0.00 N ATOM 398 CA GLY A 26 5.792 -4.696 -1.102 1.00 0.00 C ATOM 399 C GLY A 26 5.264 -5.746 -0.133 1.00 0.00 C ATOM 400 O GLY A 26 4.850 -6.830 -0.544 1.00 0.00 O ATOM 0 H GLY A 26 6.145 -2.693 -0.597 1.00 0.00 H new ATOM 0 HA2 GLY A 26 5.428 -4.909 -2.107 1.00 0.00 H new ATOM 0 HA3 GLY A 26 6.880 -4.747 -1.140 1.00 0.00 H new ATOM 404 N ASP A 27 5.280 -5.418 1.153 1.00 0.00 N ATOM 405 CA ASP A 27 4.723 -6.296 2.176 1.00 0.00 C ATOM 406 C ASP A 27 3.210 -6.406 2.041 1.00 0.00 C ATOM 407 O ASP A 27 2.643 -7.491 2.172 1.00 0.00 O ATOM 408 CB ASP A 27 5.092 -5.793 3.574 1.00 0.00 C ATOM 409 CG ASP A 27 6.550 -6.008 3.955 1.00 0.00 C ATOM 410 OD1 ASP A 27 7.230 -6.718 3.252 1.00 0.00 O ATOM 411 OD2 ASP A 27 7.014 -5.343 4.850 1.00 0.00 O ATOM 0 H ASP A 27 5.673 -4.549 1.513 1.00 0.00 H new ATOM 0 HA ASP A 27 5.151 -7.288 2.034 1.00 0.00 H new ATOM 0 HB2 ASP A 27 4.866 -4.728 3.635 1.00 0.00 H new ATOM 0 HB3 ASP A 27 4.460 -6.295 4.306 1.00 0.00 H new ATOM 416 N ILE A 28 2.560 -5.277 1.781 1.00 0.00 N ATOM 417 CA ILE A 28 1.113 -5.249 1.603 1.00 0.00 C ATOM 418 C ILE A 28 0.674 -6.214 0.509 1.00 0.00 C ATOM 419 O ILE A 28 -0.294 -6.956 0.674 1.00 0.00 O ATOM 420 CB ILE A 28 0.613 -3.835 1.259 1.00 0.00 C ATOM 421 CG1 ILE A 28 0.782 -2.902 2.460 1.00 0.00 C ATOM 422 CG2 ILE A 28 -0.841 -3.878 0.815 1.00 0.00 C ATOM 423 CD1 ILE A 28 0.466 -1.454 2.159 1.00 0.00 C ATOM 0 H ILE A 28 3.013 -4.368 1.689 1.00 0.00 H new ATOM 0 HA ILE A 28 0.674 -5.557 2.552 1.00 0.00 H new ATOM 0 HB ILE A 28 1.212 -3.447 0.435 1.00 0.00 H new ATOM 0 HG12 ILE A 28 0.135 -3.245 3.268 1.00 0.00 H new ATOM 0 HG13 ILE A 28 1.808 -2.973 2.821 1.00 0.00 H new ATOM 0 HG21 ILE A 28 -1.178 -2.870 0.576 1.00 0.00 H new ATOM 0 HG22 ILE A 28 -0.933 -4.511 -0.068 1.00 0.00 H new ATOM 0 HG23 ILE A 28 -1.455 -4.285 1.619 1.00 0.00 H new ATOM 0 HD11 ILE A 28 0.609 -0.856 3.059 1.00 0.00 H new ATOM 0 HD12 ILE A 28 1.130 -1.092 1.374 1.00 0.00 H new ATOM 0 HD13 ILE A 28 -0.569 -1.369 1.827 1.00 0.00 H new ATOM 435 N ILE A 29 1.390 -6.199 -0.609 1.00 0.00 N ATOM 436 CA ILE A 29 1.092 -7.091 -1.723 1.00 0.00 C ATOM 437 C ILE A 29 1.081 -8.547 -1.274 1.00 0.00 C ATOM 438 O ILE A 29 0.195 -9.315 -1.649 1.00 0.00 O ATOM 439 CB ILE A 29 2.107 -6.924 -2.868 1.00 0.00 C ATOM 440 CG1 ILE A 29 1.992 -5.528 -3.485 1.00 0.00 C ATOM 441 CG2 ILE A 29 1.896 -7.996 -3.926 1.00 0.00 C ATOM 442 CD1 ILE A 29 0.627 -5.227 -4.064 1.00 0.00 C ATOM 0 H ILE A 29 2.183 -5.577 -0.768 1.00 0.00 H new ATOM 0 HA ILE A 29 0.101 -6.819 -2.087 1.00 0.00 H new ATOM 0 HB ILE A 29 3.111 -7.038 -2.460 1.00 0.00 H new ATOM 0 HG12 ILE A 29 2.225 -4.784 -2.723 1.00 0.00 H new ATOM 0 HG13 ILE A 29 2.740 -5.425 -4.271 1.00 0.00 H new ATOM 0 HG21 ILE A 29 2.622 -7.863 -4.728 1.00 0.00 H new ATOM 0 HG22 ILE A 29 2.027 -8.981 -3.477 1.00 0.00 H new ATOM 0 HG23 ILE A 29 0.888 -7.913 -4.332 1.00 0.00 H new ATOM 0 HD11 ILE A 29 0.623 -4.221 -4.482 1.00 0.00 H new ATOM 0 HD12 ILE A 29 0.398 -5.947 -4.849 1.00 0.00 H new ATOM 0 HD13 ILE A 29 -0.125 -5.296 -3.278 1.00 0.00 H new ATOM 454 N ARG A 30 2.070 -8.920 -0.470 1.00 0.00 N ATOM 455 CA ARG A 30 2.122 -10.256 0.112 1.00 0.00 C ATOM 456 C ARG A 30 0.970 -10.480 1.082 1.00 0.00 C ATOM 457 O ARG A 30 0.371 -11.555 1.114 1.00 0.00 O ATOM 458 CB ARG A 30 3.465 -10.546 0.765 1.00 0.00 C ATOM 459 CG ARG A 30 3.596 -11.935 1.370 1.00 0.00 C ATOM 460 CD ARG A 30 4.931 -12.228 1.948 1.00 0.00 C ATOM 461 NE ARG A 30 5.050 -13.544 2.556 1.00 0.00 N ATOM 462 CZ ARG A 30 6.141 -13.990 3.208 1.00 0.00 C ATOM 463 NH1 ARG A 30 7.222 -13.248 3.307 1.00 0.00 N ATOM 464 NH2 ARG A 30 6.106 -15.206 3.727 1.00 0.00 N ATOM 0 H ARG A 30 2.848 -8.315 -0.206 1.00 0.00 H new ATOM 0 HA ARG A 30 2.011 -10.966 -0.707 1.00 0.00 H new ATOM 0 HB2 ARG A 30 4.250 -10.414 0.021 1.00 0.00 H new ATOM 0 HB3 ARG A 30 3.640 -9.807 1.547 1.00 0.00 H new ATOM 0 HG2 ARG A 30 2.843 -12.051 2.149 1.00 0.00 H new ATOM 0 HG3 ARG A 30 3.376 -12.675 0.601 1.00 0.00 H new ATOM 0 HD2 ARG A 30 5.681 -12.136 1.163 1.00 0.00 H new ATOM 0 HD3 ARG A 30 5.161 -11.473 2.699 1.00 0.00 H new ATOM 0 HE ARG A 30 4.251 -14.174 2.484 1.00 0.00 H new ATOM 0 HH11 ARG A 30 7.243 -12.319 2.886 1.00 0.00 H new ATOM 0 HH12 ARG A 30 8.039 -13.601 3.804 1.00 0.00 H new ATOM 0 HH21 ARG A 30 5.268 -15.779 3.628 1.00 0.00 H new ATOM 0 HH22 ARG A 30 6.917 -15.571 4.226 1.00 0.00 H new ATOM 478 N LEU A 31 0.662 -9.458 1.873 1.00 0.00 N ATOM 479 CA LEU A 31 -0.316 -9.587 2.947 1.00 0.00 C ATOM 480 C LEU A 31 -1.734 -9.656 2.395 1.00 0.00 C ATOM 481 O LEU A 31 -2.641 -10.168 3.050 1.00 0.00 O ATOM 482 CB LEU A 31 -0.183 -8.415 3.929 1.00 0.00 C ATOM 483 CG LEU A 31 1.113 -8.395 4.749 1.00 0.00 C ATOM 484 CD1 LEU A 31 1.200 -7.108 5.557 1.00 0.00 C ATOM 485 CD2 LEU A 31 1.156 -9.611 5.663 1.00 0.00 C ATOM 0 H LEU A 31 1.076 -8.530 1.790 1.00 0.00 H new ATOM 0 HA LEU A 31 -0.116 -10.518 3.477 1.00 0.00 H new ATOM 0 HB2 LEU A 31 -0.254 -7.483 3.369 1.00 0.00 H new ATOM 0 HB3 LEU A 31 -1.029 -8.440 4.616 1.00 0.00 H new ATOM 0 HG LEU A 31 1.970 -8.433 4.076 1.00 0.00 H new ATOM 0 HD11 LEU A 31 2.124 -7.103 6.136 1.00 0.00 H new ATOM 0 HD12 LEU A 31 1.191 -6.253 4.881 1.00 0.00 H new ATOM 0 HD13 LEU A 31 0.348 -7.045 6.233 1.00 0.00 H new ATOM 0 HD21 LEU A 31 2.077 -9.596 6.245 1.00 0.00 H new ATOM 0 HD22 LEU A 31 0.300 -9.590 6.337 1.00 0.00 H new ATOM 0 HD23 LEU A 31 1.122 -10.520 5.062 1.00 0.00 H new ATOM 497 N THR A 32 -1.918 -9.139 1.185 1.00 0.00 N ATOM 498 CA THR A 32 -3.214 -9.194 0.518 1.00 0.00 C ATOM 499 C THR A 32 -3.334 -10.442 -0.347 1.00 0.00 C ATOM 500 O THR A 32 -4.414 -10.764 -0.844 1.00 0.00 O ATOM 501 CB THR A 32 -3.453 -7.950 -0.358 1.00 0.00 C ATOM 502 OG1 THR A 32 -2.403 -7.838 -1.329 1.00 0.00 O ATOM 503 CG2 THR A 32 -3.483 -6.694 0.498 1.00 0.00 C ATOM 0 H THR A 32 -1.186 -8.677 0.646 1.00 0.00 H new ATOM 0 HA THR A 32 -3.970 -9.224 1.303 1.00 0.00 H new ATOM 0 HB THR A 32 -4.414 -8.057 -0.862 1.00 0.00 H new ATOM 0 HG1 THR A 32 -1.591 -7.502 -0.895 1.00 0.00 H new ATOM 0 HG21 THR A 32 -3.653 -5.825 -0.137 1.00 0.00 H new ATOM 0 HG22 THR A 32 -4.287 -6.771 1.230 1.00 0.00 H new ATOM 0 HG23 THR A 32 -2.530 -6.584 1.016 1.00 0.00 H new ATOM 511 N GLY A 33 -2.220 -11.143 -0.525 1.00 0.00 N ATOM 512 CA GLY A 33 -2.215 -12.404 -1.258 1.00 0.00 C ATOM 513 C GLY A 33 -2.187 -12.165 -2.763 1.00 0.00 C ATOM 514 O GLY A 33 -2.676 -12.984 -3.540 1.00 0.00 O ATOM 0 H GLY A 33 -1.307 -10.859 -0.171 1.00 0.00 H new ATOM 0 HA2 GLY A 33 -1.347 -12.995 -0.965 1.00 0.00 H new ATOM 0 HA3 GLY A 33 -3.100 -12.984 -0.995 1.00 0.00 H new ATOM 518 N GLU A 34 -1.610 -11.038 -3.168 1.00 0.00 N ATOM 519 CA GLU A 34 -1.530 -10.682 -4.579 1.00 0.00 C ATOM 520 C GLU A 34 -0.205 -11.125 -5.184 1.00 0.00 C ATOM 521 O GLU A 34 0.861 -10.870 -4.623 1.00 0.00 O ATOM 522 CB GLU A 34 -1.715 -9.174 -4.763 1.00 0.00 C ATOM 523 CG GLU A 34 -1.703 -8.712 -6.214 1.00 0.00 C ATOM 524 CD GLU A 34 -2.937 -9.165 -6.942 1.00 0.00 C ATOM 525 OE1 GLU A 34 -3.810 -9.710 -6.310 1.00 0.00 O ATOM 526 OE2 GLU A 34 -3.057 -8.870 -8.107 1.00 0.00 O ATOM 0 H GLU A 34 -1.190 -10.355 -2.537 1.00 0.00 H new ATOM 0 HA GLU A 34 -2.333 -11.203 -5.100 1.00 0.00 H new ATOM 0 HB2 GLU A 34 -2.660 -8.878 -4.308 1.00 0.00 H new ATOM 0 HB3 GLU A 34 -0.924 -8.654 -4.222 1.00 0.00 H new ATOM 0 HG2 GLU A 34 -1.635 -7.625 -6.251 1.00 0.00 H new ATOM 0 HG3 GLU A 34 -0.818 -9.104 -6.715 1.00 0.00 H new ATOM 533 N GLN A 35 -0.277 -11.790 -6.332 1.00 0.00 N ATOM 534 CA GLN A 35 0.908 -12.349 -6.971 1.00 0.00 C ATOM 535 C GLN A 35 1.525 -11.359 -7.952 1.00 0.00 C ATOM 536 O GLN A 35 1.179 -11.345 -9.133 1.00 0.00 O ATOM 537 CB GLN A 35 0.563 -13.651 -7.699 1.00 0.00 C ATOM 538 CG GLN A 35 1.761 -14.363 -8.303 1.00 0.00 C ATOM 539 CD GLN A 35 2.740 -14.845 -7.249 1.00 0.00 C ATOM 540 OE1 GLN A 35 2.343 -15.399 -6.221 1.00 0.00 O ATOM 541 NE2 GLN A 35 4.027 -14.633 -7.498 1.00 0.00 N ATOM 0 H GLN A 35 -1.146 -11.955 -6.840 1.00 0.00 H new ATOM 0 HA GLN A 35 1.637 -12.559 -6.188 1.00 0.00 H new ATOM 0 HB2 GLN A 35 0.069 -14.325 -7.000 1.00 0.00 H new ATOM 0 HB3 GLN A 35 -0.153 -13.432 -8.491 1.00 0.00 H new ATOM 0 HG2 GLN A 35 1.416 -15.214 -8.891 1.00 0.00 H new ATOM 0 HG3 GLN A 35 2.273 -13.688 -8.989 1.00 0.00 H new ATOM 0 HE21 GLN A 35 4.310 -14.171 -8.362 1.00 0.00 H new ATOM 0 HE22 GLN A 35 4.733 -14.933 -6.825 1.00 0.00 H new ATOM 550 N LEU A 36 2.439 -10.533 -7.455 1.00 0.00 N ATOM 551 CA LEU A 36 3.192 -9.621 -8.308 1.00 0.00 C ATOM 552 C LEU A 36 4.688 -9.888 -8.214 1.00 0.00 C ATOM 553 O LEU A 36 5.174 -10.403 -7.207 1.00 0.00 O ATOM 554 CB LEU A 36 2.883 -8.166 -7.931 1.00 0.00 C ATOM 555 CG LEU A 36 1.414 -7.752 -8.077 1.00 0.00 C ATOM 556 CD1 LEU A 36 1.224 -6.322 -7.590 1.00 0.00 C ATOM 557 CD2 LEU A 36 0.988 -7.888 -9.531 1.00 0.00 C ATOM 0 H LEU A 36 2.677 -10.476 -6.465 1.00 0.00 H new ATOM 0 HA LEU A 36 2.886 -9.791 -9.340 1.00 0.00 H new ATOM 0 HB2 LEU A 36 3.189 -8.002 -6.898 1.00 0.00 H new ATOM 0 HB3 LEU A 36 3.492 -7.509 -8.552 1.00 0.00 H new ATOM 0 HG LEU A 36 0.790 -8.406 -7.467 1.00 0.00 H new ATOM 0 HD11 LEU A 36 0.177 -6.037 -7.698 1.00 0.00 H new ATOM 0 HD12 LEU A 36 1.513 -6.253 -6.541 1.00 0.00 H new ATOM 0 HD13 LEU A 36 1.846 -5.650 -8.182 1.00 0.00 H new ATOM 0 HD21 LEU A 36 -0.056 -7.593 -9.633 1.00 0.00 H new ATOM 0 HD22 LEU A 36 1.609 -7.244 -10.154 1.00 0.00 H new ATOM 0 HD23 LEU A 36 1.106 -8.924 -9.849 1.00 0.00 H new ATOM 569 N THR A 37 5.415 -9.533 -9.268 1.00 0.00 N ATOM 570 CA THR A 37 6.872 -9.599 -9.251 1.00 0.00 C ATOM 571 C THR A 37 7.471 -8.360 -8.597 1.00 0.00 C ATOM 572 O THR A 37 6.763 -7.400 -8.297 1.00 0.00 O ATOM 573 CB THR A 37 7.447 -9.747 -10.672 1.00 0.00 C ATOM 574 OG1 THR A 37 7.189 -8.552 -11.420 1.00 0.00 O ATOM 575 CG2 THR A 37 6.814 -10.932 -11.383 1.00 0.00 C ATOM 0 H THR A 37 5.019 -9.196 -10.146 1.00 0.00 H new ATOM 0 HA THR A 37 7.140 -10.480 -8.667 1.00 0.00 H new ATOM 0 HB THR A 37 8.522 -9.914 -10.598 1.00 0.00 H new ATOM 0 HG1 THR A 37 7.556 -8.646 -12.324 1.00 0.00 H new ATOM 0 HG21 THR A 37 7.233 -11.021 -12.386 1.00 0.00 H new ATOM 0 HG22 THR A 37 7.018 -11.844 -10.822 1.00 0.00 H new ATOM 0 HG23 THR A 37 5.737 -10.782 -11.452 1.00 0.00 H new ATOM 583 N ASP A 38 8.781 -8.389 -8.378 1.00 0.00 N ATOM 584 CA ASP A 38 9.486 -7.253 -7.796 1.00 0.00 C ATOM 585 C ASP A 38 9.274 -5.991 -8.623 1.00 0.00 C ATOM 586 O ASP A 38 9.192 -4.889 -8.081 1.00 0.00 O ATOM 587 CB ASP A 38 10.981 -7.555 -7.671 1.00 0.00 C ATOM 588 CG ASP A 38 11.334 -8.548 -6.572 1.00 0.00 C ATOM 589 OD1 ASP A 38 10.482 -8.836 -5.764 1.00 0.00 O ATOM 590 OD2 ASP A 38 12.391 -9.128 -6.639 1.00 0.00 O ATOM 0 H ASP A 38 9.377 -9.188 -8.595 1.00 0.00 H new ATOM 0 HA ASP A 38 9.076 -7.082 -6.801 1.00 0.00 H new ATOM 0 HB2 ASP A 38 11.341 -7.943 -8.624 1.00 0.00 H new ATOM 0 HB3 ASP A 38 11.513 -6.622 -7.485 1.00 0.00 H new ATOM 595 N GLU A 39 9.187 -6.160 -9.938 1.00 0.00 N ATOM 596 CA GLU A 39 8.972 -5.035 -10.842 1.00 0.00 C ATOM 597 C GLU A 39 7.508 -4.614 -10.857 1.00 0.00 C ATOM 598 O GLU A 39 7.195 -3.423 -10.833 1.00 0.00 O ATOM 599 CB GLU A 39 9.432 -5.391 -12.257 1.00 0.00 C ATOM 600 CG GLU A 39 10.936 -5.574 -12.402 1.00 0.00 C ATOM 601 CD GLU A 39 11.303 -5.994 -13.798 1.00 0.00 C ATOM 602 OE1 GLU A 39 10.415 -6.176 -14.596 1.00 0.00 O ATOM 603 OE2 GLU A 39 12.473 -6.024 -14.099 1.00 0.00 O ATOM 0 H GLU A 39 9.262 -7.065 -10.402 1.00 0.00 H new ATOM 0 HA GLU A 39 9.564 -4.195 -10.478 1.00 0.00 H new ATOM 0 HB2 GLU A 39 8.935 -6.310 -12.567 1.00 0.00 H new ATOM 0 HB3 GLU A 39 9.106 -4.606 -12.940 1.00 0.00 H new ATOM 0 HG2 GLU A 39 11.443 -4.641 -12.155 1.00 0.00 H new ATOM 0 HG3 GLU A 39 11.284 -6.324 -11.691 1.00 0.00 H new ATOM 610 N ASP A 40 6.614 -5.597 -10.898 1.00 0.00 N ATOM 611 CA ASP A 40 5.183 -5.328 -10.972 1.00 0.00 C ATOM 612 C ASP A 40 4.702 -4.564 -9.746 1.00 0.00 C ATOM 613 O ASP A 40 3.849 -3.682 -9.847 1.00 0.00 O ATOM 614 CB ASP A 40 4.400 -6.634 -11.118 1.00 0.00 C ATOM 615 CG ASP A 40 4.517 -7.288 -12.489 1.00 0.00 C ATOM 616 OD1 ASP A 40 4.981 -6.640 -13.397 1.00 0.00 O ATOM 617 OD2 ASP A 40 4.290 -8.471 -12.581 1.00 0.00 O ATOM 0 H ASP A 40 6.856 -6.588 -10.881 1.00 0.00 H new ATOM 0 HA ASP A 40 5.005 -4.708 -11.851 1.00 0.00 H new ATOM 0 HB2 ASP A 40 4.748 -7.338 -10.362 1.00 0.00 H new ATOM 0 HB3 ASP A 40 3.348 -6.438 -10.911 1.00 0.00 H new ATOM 622 N VAL A 41 5.253 -4.906 -8.587 1.00 0.00 N ATOM 623 CA VAL A 41 4.907 -4.229 -7.343 1.00 0.00 C ATOM 624 C VAL A 41 5.297 -2.758 -7.391 1.00 0.00 C ATOM 625 O VAL A 41 4.534 -1.889 -6.967 1.00 0.00 O ATOM 626 CB VAL A 41 5.588 -4.891 -6.130 1.00 0.00 C ATOM 627 CG1 VAL A 41 5.416 -4.030 -4.887 1.00 0.00 C ATOM 628 CG2 VAL A 41 5.020 -6.283 -5.895 1.00 0.00 C ATOM 0 H VAL A 41 5.943 -5.650 -8.483 1.00 0.00 H new ATOM 0 HA VAL A 41 3.826 -4.312 -7.230 1.00 0.00 H new ATOM 0 HB VAL A 41 6.653 -4.984 -6.341 1.00 0.00 H new ATOM 0 HG11 VAL A 41 5.903 -4.513 -4.040 1.00 0.00 H new ATOM 0 HG12 VAL A 41 5.867 -3.052 -5.056 1.00 0.00 H new ATOM 0 HG13 VAL A 41 4.354 -3.907 -4.673 1.00 0.00 H new ATOM 0 HG21 VAL A 41 5.512 -6.736 -5.035 1.00 0.00 H new ATOM 0 HG22 VAL A 41 3.949 -6.212 -5.705 1.00 0.00 H new ATOM 0 HG23 VAL A 41 5.191 -6.900 -6.777 1.00 0.00 H new ATOM 638 N ASP A 42 6.489 -2.483 -7.908 1.00 0.00 N ATOM 639 CA ASP A 42 6.970 -1.112 -8.040 1.00 0.00 C ATOM 640 C ASP A 42 6.134 -0.330 -9.043 1.00 0.00 C ATOM 641 O ASP A 42 5.908 0.869 -8.875 1.00 0.00 O ATOM 642 CB ASP A 42 8.443 -1.099 -8.460 1.00 0.00 C ATOM 643 CG ASP A 42 9.416 -1.484 -7.354 1.00 0.00 C ATOM 644 OD1 ASP A 42 9.009 -1.514 -6.216 1.00 0.00 O ATOM 645 OD2 ASP A 42 10.507 -1.895 -7.668 1.00 0.00 O ATOM 0 H ASP A 42 7.141 -3.192 -8.243 1.00 0.00 H new ATOM 0 HA ASP A 42 6.875 -0.630 -7.067 1.00 0.00 H new ATOM 0 HB2 ASP A 42 8.575 -1.783 -9.298 1.00 0.00 H new ATOM 0 HB3 ASP A 42 8.697 -0.102 -8.820 1.00 0.00 H new ATOM 650 N GLU A 43 5.675 -1.013 -10.086 1.00 0.00 N ATOM 651 CA GLU A 43 4.826 -0.393 -11.096 1.00 0.00 C ATOM 652 C GLU A 43 3.483 0.021 -10.508 1.00 0.00 C ATOM 653 O GLU A 43 3.013 1.136 -10.734 1.00 0.00 O ATOM 654 CB GLU A 43 4.613 -1.345 -12.275 1.00 0.00 C ATOM 655 CG GLU A 43 5.833 -1.523 -13.168 1.00 0.00 C ATOM 656 CD GLU A 43 5.599 -2.585 -14.207 1.00 0.00 C ATOM 657 OE1 GLU A 43 4.564 -3.204 -14.173 1.00 0.00 O ATOM 658 OE2 GLU A 43 6.405 -2.699 -15.100 1.00 0.00 O ATOM 0 H GLU A 43 5.877 -1.998 -10.254 1.00 0.00 H new ATOM 0 HA GLU A 43 5.333 0.504 -11.452 1.00 0.00 H new ATOM 0 HB2 GLU A 43 4.315 -2.320 -11.890 1.00 0.00 H new ATOM 0 HB3 GLU A 43 3.786 -0.975 -12.880 1.00 0.00 H new ATOM 0 HG2 GLU A 43 6.069 -0.578 -13.657 1.00 0.00 H new ATOM 0 HG3 GLU A 43 6.696 -1.791 -12.559 1.00 0.00 H new ATOM 665 N ILE A 44 2.869 -0.884 -9.754 1.00 0.00 N ATOM 666 CA ILE A 44 1.593 -0.603 -9.106 1.00 0.00 C ATOM 667 C ILE A 44 1.741 0.476 -8.042 1.00 0.00 C ATOM 668 O ILE A 44 0.856 1.315 -7.867 1.00 0.00 O ATOM 669 CB ILE A 44 0.996 -1.868 -8.462 1.00 0.00 C ATOM 670 CG1 ILE A 44 0.683 -2.915 -9.533 1.00 0.00 C ATOM 671 CG2 ILE A 44 -0.255 -1.521 -7.671 1.00 0.00 C ATOM 672 CD1 ILE A 44 -0.310 -2.449 -10.573 1.00 0.00 C ATOM 0 H ILE A 44 3.235 -1.819 -9.576 1.00 0.00 H new ATOM 0 HA ILE A 44 0.917 -0.250 -9.884 1.00 0.00 H new ATOM 0 HB ILE A 44 1.731 -2.288 -7.775 1.00 0.00 H new ATOM 0 HG12 ILE A 44 1.610 -3.199 -10.031 1.00 0.00 H new ATOM 0 HG13 ILE A 44 0.294 -3.811 -9.049 1.00 0.00 H new ATOM 0 HG21 ILE A 44 -0.664 -2.426 -7.222 1.00 0.00 H new ATOM 0 HG22 ILE A 44 -0.003 -0.809 -6.885 1.00 0.00 H new ATOM 0 HG23 ILE A 44 -0.996 -1.079 -8.337 1.00 0.00 H new ATOM 0 HD11 ILE A 44 -0.480 -3.246 -11.297 1.00 0.00 H new ATOM 0 HD12 ILE A 44 -1.252 -2.193 -10.088 1.00 0.00 H new ATOM 0 HD13 ILE A 44 0.085 -1.572 -11.085 1.00 0.00 H new ATOM 684 N PHE A 45 2.864 0.450 -7.333 1.00 0.00 N ATOM 685 CA PHE A 45 3.184 1.495 -6.367 1.00 0.00 C ATOM 686 C PHE A 45 3.209 2.868 -7.026 1.00 0.00 C ATOM 687 O PHE A 45 2.600 3.816 -6.532 1.00 0.00 O ATOM 688 CB PHE A 45 4.528 1.208 -5.695 1.00 0.00 C ATOM 689 CG PHE A 45 4.936 2.246 -4.688 1.00 0.00 C ATOM 690 CD1 PHE A 45 4.413 2.228 -3.403 1.00 0.00 C ATOM 691 CD2 PHE A 45 5.842 3.240 -5.022 1.00 0.00 C ATOM 692 CE1 PHE A 45 4.788 3.183 -2.476 1.00 0.00 C ATOM 693 CE2 PHE A 45 6.219 4.194 -4.098 1.00 0.00 C ATOM 694 CZ PHE A 45 5.690 4.165 -2.822 1.00 0.00 C ATOM 0 H PHE A 45 3.569 -0.284 -7.409 1.00 0.00 H new ATOM 0 HA PHE A 45 2.402 1.498 -5.608 1.00 0.00 H new ATOM 0 HB2 PHE A 45 4.477 0.237 -5.202 1.00 0.00 H new ATOM 0 HB3 PHE A 45 5.299 1.136 -6.462 1.00 0.00 H new ATOM 0 HD1 PHE A 45 3.706 1.461 -3.124 1.00 0.00 H new ATOM 0 HD2 PHE A 45 6.259 3.269 -6.018 1.00 0.00 H new ATOM 0 HE1 PHE A 45 4.373 3.159 -1.479 1.00 0.00 H new ATOM 0 HE2 PHE A 45 6.927 4.962 -4.372 1.00 0.00 H new ATOM 0 HZ PHE A 45 5.983 4.910 -2.098 1.00 0.00 H new ATOM 704 N GLY A 46 3.919 2.967 -8.145 1.00 0.00 N ATOM 705 CA GLY A 46 4.023 4.224 -8.877 1.00 0.00 C ATOM 706 C GLY A 46 2.671 4.652 -9.432 1.00 0.00 C ATOM 707 O GLY A 46 2.380 5.844 -9.532 1.00 0.00 O ATOM 0 H GLY A 46 4.431 2.191 -8.565 1.00 0.00 H new ATOM 0 HA2 GLY A 46 4.411 5.001 -8.218 1.00 0.00 H new ATOM 0 HA3 GLY A 46 4.736 4.114 -9.694 1.00 0.00 H new ATOM 711 N ASP A 47 1.847 3.673 -9.791 1.00 0.00 N ATOM 712 CA ASP A 47 0.503 3.946 -10.286 1.00 0.00 C ATOM 713 C ASP A 47 -0.376 4.542 -9.194 1.00 0.00 C ATOM 714 O ASP A 47 -1.181 5.437 -9.451 1.00 0.00 O ATOM 715 CB ASP A 47 -0.135 2.669 -10.836 1.00 0.00 C ATOM 716 CG ASP A 47 0.427 2.210 -12.174 1.00 0.00 C ATOM 717 OD1 ASP A 47 1.126 2.974 -12.796 1.00 0.00 O ATOM 718 OD2 ASP A 47 0.287 1.053 -12.489 1.00 0.00 O ATOM 0 H ASP A 47 2.087 2.683 -9.748 1.00 0.00 H new ATOM 0 HA ASP A 47 0.587 4.675 -11.092 1.00 0.00 H new ATOM 0 HB2 ASP A 47 -0.004 1.869 -10.107 1.00 0.00 H new ATOM 0 HB3 ASP A 47 -1.208 2.830 -10.943 1.00 0.00 H new ATOM 723 N SER A 48 -0.217 4.040 -7.974 1.00 0.00 N ATOM 724 CA SER A 48 -0.984 4.534 -6.836 1.00 0.00 C ATOM 725 C SER A 48 -0.346 5.784 -6.243 1.00 0.00 C ATOM 726 O SER A 48 -0.978 6.510 -5.475 1.00 0.00 O ATOM 727 CB SER A 48 -1.107 3.453 -5.781 1.00 0.00 C ATOM 728 OG SER A 48 0.134 3.118 -5.222 1.00 0.00 O ATOM 0 H SER A 48 0.437 3.291 -7.748 1.00 0.00 H new ATOM 0 HA SER A 48 -1.980 4.801 -7.188 1.00 0.00 H new ATOM 0 HB2 SER A 48 -1.780 3.791 -4.993 1.00 0.00 H new ATOM 0 HB3 SER A 48 -1.556 2.564 -6.224 1.00 0.00 H new ATOM 0 HG SER A 48 0.853 3.435 -5.808 1.00 0.00 H new ATOM 734 N ASP A 49 0.908 6.031 -6.604 1.00 0.00 N ATOM 735 CA ASP A 49 1.596 7.251 -6.198 1.00 0.00 C ATOM 736 C ASP A 49 1.148 8.441 -7.037 1.00 0.00 C ATOM 737 O ASP A 49 1.870 8.892 -7.926 1.00 0.00 O ATOM 738 CB ASP A 49 3.113 7.072 -6.306 1.00 0.00 C ATOM 739 CG ASP A 49 3.924 8.242 -5.765 1.00 0.00 C ATOM 740 OD1 ASP A 49 3.345 9.110 -5.156 1.00 0.00 O ATOM 741 OD2 ASP A 49 5.129 8.181 -5.825 1.00 0.00 O ATOM 0 H ASP A 49 1.470 5.402 -7.178 1.00 0.00 H new ATOM 0 HA ASP A 49 1.336 7.450 -5.158 1.00 0.00 H new ATOM 0 HB2 ASP A 49 3.399 6.168 -5.769 1.00 0.00 H new ATOM 0 HB3 ASP A 49 3.375 6.917 -7.353 1.00 0.00 H new ATOM 746 N THR A 50 -0.047 8.944 -6.749 1.00 0.00 N ATOM 747 CA THR A 50 -0.621 10.043 -7.517 1.00 0.00 C ATOM 748 C THR A 50 0.210 11.310 -7.371 1.00 0.00 C ATOM 749 O THR A 50 0.402 12.053 -8.333 1.00 0.00 O ATOM 750 CB THR A 50 -2.069 10.338 -7.086 1.00 0.00 C ATOM 751 OG1 THR A 50 -2.885 9.183 -7.322 1.00 0.00 O ATOM 752 CG2 THR A 50 -2.628 11.517 -7.866 1.00 0.00 C ATOM 0 H THR A 50 -0.638 8.608 -5.988 1.00 0.00 H new ATOM 0 HA THR A 50 -0.620 9.730 -8.561 1.00 0.00 H new ATOM 0 HB THR A 50 -2.073 10.584 -6.024 1.00 0.00 H new ATOM 0 HG1 THR A 50 -3.315 8.909 -6.485 1.00 0.00 H new ATOM 0 HG21 THR A 50 -3.652 11.711 -7.548 1.00 0.00 H new ATOM 0 HG22 THR A 50 -2.017 12.400 -7.679 1.00 0.00 H new ATOM 0 HG23 THR A 50 -2.616 11.287 -8.931 1.00 0.00 H new ATOM 760 N ASP A 51 0.702 11.553 -6.159 1.00 0.00 N ATOM 761 CA ASP A 51 1.457 12.765 -5.868 1.00 0.00 C ATOM 762 C ASP A 51 2.889 12.658 -6.378 1.00 0.00 C ATOM 763 O ASP A 51 3.628 13.643 -6.394 1.00 0.00 O ATOM 764 CB ASP A 51 1.455 13.051 -4.365 1.00 0.00 C ATOM 765 CG ASP A 51 0.113 13.512 -3.815 1.00 0.00 C ATOM 766 OD1 ASP A 51 -0.738 13.867 -4.597 1.00 0.00 O ATOM 767 OD2 ASP A 51 -0.108 13.359 -2.637 1.00 0.00 O ATOM 0 H ASP A 51 0.590 10.925 -5.363 1.00 0.00 H new ATOM 0 HA ASP A 51 0.971 13.592 -6.386 1.00 0.00 H new ATOM 0 HB2 ASP A 51 1.760 12.149 -3.835 1.00 0.00 H new ATOM 0 HB3 ASP A 51 2.203 13.815 -4.152 1.00 0.00 H new ATOM 772 N LYS A 52 3.275 11.457 -6.794 1.00 0.00 N ATOM 773 CA LYS A 52 4.619 11.219 -7.308 1.00 0.00 C ATOM 774 C LYS A 52 5.678 11.650 -6.301 1.00 0.00 C ATOM 775 O LYS A 52 6.666 12.289 -6.661 1.00 0.00 O ATOM 776 CB LYS A 52 4.823 11.956 -8.633 1.00 0.00 C ATOM 777 CG LYS A 52 3.870 11.530 -9.742 1.00 0.00 C ATOM 778 CD LYS A 52 4.137 12.300 -11.027 1.00 0.00 C ATOM 779 CE LYS A 52 3.147 11.919 -12.118 1.00 0.00 C ATOM 780 NZ LYS A 52 3.347 12.722 -13.355 1.00 0.00 N ATOM 0 H LYS A 52 2.675 10.632 -6.785 1.00 0.00 H new ATOM 0 HA LYS A 52 4.726 10.148 -7.478 1.00 0.00 H new ATOM 0 HB2 LYS A 52 4.707 13.026 -8.461 1.00 0.00 H new ATOM 0 HB3 LYS A 52 5.847 11.797 -8.970 1.00 0.00 H new ATOM 0 HG2 LYS A 52 3.978 10.461 -9.927 1.00 0.00 H new ATOM 0 HG3 LYS A 52 2.841 11.696 -9.423 1.00 0.00 H new ATOM 0 HD2 LYS A 52 4.072 13.370 -10.832 1.00 0.00 H new ATOM 0 HD3 LYS A 52 5.152 12.100 -11.369 1.00 0.00 H new ATOM 0 HE2 LYS A 52 3.254 10.860 -12.352 1.00 0.00 H new ATOM 0 HE3 LYS A 52 2.130 12.063 -11.752 1.00 0.00 H new ATOM 0 HZ1 LYS A 52 2.653 12.432 -14.073 1.00 0.00 H new ATOM 0 HZ2 LYS A 52 3.220 13.731 -13.138 1.00 0.00 H new ATOM 0 HZ3 LYS A 52 4.308 12.565 -13.719 1.00 0.00 H new ATOM 794 N ASN A 53 5.465 11.296 -5.039 1.00 0.00 N ATOM 795 CA ASN A 53 6.376 11.686 -3.970 1.00 0.00 C ATOM 796 C ASN A 53 7.204 10.502 -3.490 1.00 0.00 C ATOM 797 O ASN A 53 8.048 10.640 -2.604 1.00 0.00 O ATOM 798 CB ASN A 53 5.629 12.311 -2.805 1.00 0.00 C ATOM 799 CG ASN A 53 5.064 13.671 -3.108 1.00 0.00 C ATOM 800 OD1 ASN A 53 5.596 14.416 -3.940 1.00 0.00 O ATOM 801 ND2 ASN A 53 4.038 14.031 -2.380 1.00 0.00 N ATOM 0 H ASN A 53 4.668 10.739 -4.731 1.00 0.00 H new ATOM 0 HA ASN A 53 7.053 12.434 -4.382 1.00 0.00 H new ATOM 0 HB2 ASN A 53 4.816 11.648 -2.508 1.00 0.00 H new ATOM 0 HB3 ASN A 53 6.304 12.389 -1.953 1.00 0.00 H new ATOM 0 HD21 ASN A 53 3.640 14.964 -2.485 1.00 0.00 H new ATOM 0 HD22 ASN A 53 3.636 13.378 -1.707 1.00 0.00 H new ATOM 808 N GLY A 54 6.957 9.336 -4.078 1.00 0.00 N ATOM 809 CA GLY A 54 7.636 8.113 -3.670 1.00 0.00 C ATOM 810 C GLY A 54 6.979 7.502 -2.439 1.00 0.00 C ATOM 811 O GLY A 54 7.609 6.748 -1.697 1.00 0.00 O ATOM 0 H GLY A 54 6.290 9.213 -4.840 1.00 0.00 H new ATOM 0 HA2 GLY A 54 7.619 7.394 -4.489 1.00 0.00 H new ATOM 0 HA3 GLY A 54 8.683 8.329 -3.457 1.00 0.00 H new ATOM 815 N ARG A 55 5.709 7.833 -2.227 1.00 0.00 N ATOM 816 CA ARG A 55 4.973 7.342 -1.068 1.00 0.00 C ATOM 817 C ARG A 55 3.483 7.238 -1.365 1.00 0.00 C ATOM 818 O ARG A 55 2.981 7.867 -2.295 1.00 0.00 O ATOM 819 CB ARG A 55 5.236 8.179 0.175 1.00 0.00 C ATOM 820 CG ARG A 55 4.768 9.623 0.085 1.00 0.00 C ATOM 821 CD ARG A 55 5.049 10.435 1.297 1.00 0.00 C ATOM 822 NE ARG A 55 4.540 11.795 1.242 1.00 0.00 N ATOM 823 CZ ARG A 55 4.696 12.711 2.218 1.00 0.00 C ATOM 824 NH1 ARG A 55 5.312 12.407 3.339 1.00 0.00 N ATOM 825 NH2 ARG A 55 4.192 13.918 2.029 1.00 0.00 N ATOM 0 H ARG A 55 5.168 8.440 -2.843 1.00 0.00 H new ATOM 0 HA ARG A 55 5.342 6.338 -0.856 1.00 0.00 H new ATOM 0 HB2 ARG A 55 4.745 7.705 1.025 1.00 0.00 H new ATOM 0 HB3 ARG A 55 6.306 8.171 0.381 1.00 0.00 H new ATOM 0 HG2 ARG A 55 5.247 10.095 -0.773 1.00 0.00 H new ATOM 0 HG3 ARG A 55 3.695 9.633 -0.104 1.00 0.00 H new ATOM 0 HD2 ARG A 55 4.617 9.934 2.163 1.00 0.00 H new ATOM 0 HD3 ARG A 55 6.127 10.470 1.454 1.00 0.00 H new ATOM 0 HE ARG A 55 4.028 12.076 0.406 1.00 0.00 H new ATOM 0 HH11 ARG A 55 5.680 11.466 3.480 1.00 0.00 H new ATOM 0 HH12 ARG A 55 5.422 13.112 4.068 1.00 0.00 H new ATOM 0 HH21 ARG A 55 3.701 14.135 1.162 1.00 0.00 H new ATOM 0 HH22 ARG A 55 4.294 14.632 2.750 1.00 0.00 H new ATOM 839 N ILE A 56 2.780 6.439 -0.569 1.00 0.00 N ATOM 840 CA ILE A 56 1.327 6.361 -0.651 1.00 0.00 C ATOM 841 C ILE A 56 0.673 6.947 0.594 1.00 0.00 C ATOM 842 O ILE A 56 0.876 6.455 1.703 1.00 0.00 O ATOM 843 CB ILE A 56 0.848 4.910 -0.836 1.00 0.00 C ATOM 844 CG1 ILE A 56 1.392 4.332 -2.146 1.00 0.00 C ATOM 845 CG2 ILE A 56 -0.670 4.844 -0.812 1.00 0.00 C ATOM 846 CD1 ILE A 56 1.162 2.846 -2.298 1.00 0.00 C ATOM 0 H ILE A 56 3.194 5.836 0.141 1.00 0.00 H new ATOM 0 HA ILE A 56 1.030 6.945 -1.522 1.00 0.00 H new ATOM 0 HB ILE A 56 1.230 4.310 -0.010 1.00 0.00 H new ATOM 0 HG12 ILE A 56 0.924 4.850 -2.983 1.00 0.00 H new ATOM 0 HG13 ILE A 56 2.462 4.533 -2.204 1.00 0.00 H new ATOM 0 HG21 ILE A 56 -0.991 3.811 -0.944 1.00 0.00 H new ATOM 0 HG22 ILE A 56 -1.035 5.218 0.144 1.00 0.00 H new ATOM 0 HG23 ILE A 56 -1.074 5.456 -1.619 1.00 0.00 H new ATOM 0 HD11 ILE A 56 1.574 2.509 -3.249 1.00 0.00 H new ATOM 0 HD12 ILE A 56 1.653 2.316 -1.482 1.00 0.00 H new ATOM 0 HD13 ILE A 56 0.092 2.639 -2.273 1.00 0.00 H new ATOM 858 N ASP A 57 -0.112 8.002 0.403 1.00 0.00 N ATOM 859 CA ASP A 57 -0.799 8.656 1.510 1.00 0.00 C ATOM 860 C ASP A 57 -1.999 7.840 1.974 1.00 0.00 C ATOM 861 O ASP A 57 -2.385 6.866 1.329 1.00 0.00 O ATOM 862 CB ASP A 57 -1.245 10.064 1.108 1.00 0.00 C ATOM 863 CG ASP A 57 -1.377 11.038 2.271 1.00 0.00 C ATOM 864 OD1 ASP A 57 -1.217 10.619 3.393 1.00 0.00 O ATOM 865 OD2 ASP A 57 -1.479 12.216 2.024 1.00 0.00 O ATOM 0 H ASP A 57 -0.288 8.423 -0.509 1.00 0.00 H new ATOM 0 HA ASP A 57 -0.096 8.730 2.340 1.00 0.00 H new ATOM 0 HB2 ASP A 57 -0.530 10.468 0.391 1.00 0.00 H new ATOM 0 HB3 ASP A 57 -2.205 9.996 0.596 1.00 0.00 H new ATOM 870 N PHE A 58 -2.585 8.244 3.096 1.00 0.00 N ATOM 871 CA PHE A 58 -3.757 7.565 3.635 1.00 0.00 C ATOM 872 C PHE A 58 -4.924 7.618 2.657 1.00 0.00 C ATOM 873 O PHE A 58 -5.587 6.610 2.412 1.00 0.00 O ATOM 874 CB PHE A 58 -4.164 8.184 4.973 1.00 0.00 C ATOM 875 CG PHE A 58 -5.377 7.548 5.591 1.00 0.00 C ATOM 876 CD1 PHE A 58 -5.280 6.332 6.252 1.00 0.00 C ATOM 877 CD2 PHE A 58 -6.617 8.163 5.512 1.00 0.00 C ATOM 878 CE1 PHE A 58 -6.395 5.747 6.821 1.00 0.00 C ATOM 879 CE2 PHE A 58 -7.734 7.580 6.080 1.00 0.00 C ATOM 880 CZ PHE A 58 -7.622 6.370 6.735 1.00 0.00 C ATOM 0 H PHE A 58 -2.267 9.039 3.650 1.00 0.00 H new ATOM 0 HA PHE A 58 -3.493 6.519 3.793 1.00 0.00 H new ATOM 0 HB2 PHE A 58 -3.329 8.104 5.669 1.00 0.00 H new ATOM 0 HB3 PHE A 58 -4.357 9.247 4.827 1.00 0.00 H new ATOM 0 HD1 PHE A 58 -4.323 5.837 6.323 1.00 0.00 H new ATOM 0 HD2 PHE A 58 -6.711 9.109 5.000 1.00 0.00 H new ATOM 0 HE1 PHE A 58 -6.305 4.801 7.334 1.00 0.00 H new ATOM 0 HE2 PHE A 58 -8.694 8.071 6.011 1.00 0.00 H new ATOM 0 HZ PHE A 58 -8.494 5.912 7.179 1.00 0.00 H new ATOM 890 N ASP A 59 -5.168 8.799 2.099 1.00 0.00 N ATOM 891 CA ASP A 59 -6.241 8.981 1.129 1.00 0.00 C ATOM 892 C ASP A 59 -6.000 8.143 -0.121 1.00 0.00 C ATOM 893 O ASP A 59 -6.930 7.562 -0.679 1.00 0.00 O ATOM 894 CB ASP A 59 -6.380 10.458 0.753 1.00 0.00 C ATOM 895 CG ASP A 59 -6.994 11.328 1.841 1.00 0.00 C ATOM 896 OD1 ASP A 59 -7.524 10.785 2.780 1.00 0.00 O ATOM 897 OD2 ASP A 59 -6.794 12.518 1.804 1.00 0.00 O ATOM 0 H ASP A 59 -4.636 9.645 2.302 1.00 0.00 H new ATOM 0 HA ASP A 59 -7.169 8.645 1.592 1.00 0.00 H new ATOM 0 HB2 ASP A 59 -5.395 10.851 0.503 1.00 0.00 H new ATOM 0 HB3 ASP A 59 -6.992 10.536 -0.146 1.00 0.00 H new ATOM 902 N GLU A 60 -4.745 8.085 -0.556 1.00 0.00 N ATOM 903 CA GLU A 60 -4.371 7.277 -1.710 1.00 0.00 C ATOM 904 C GLU A 60 -4.334 5.796 -1.355 1.00 0.00 C ATOM 905 O GLU A 60 -4.519 4.936 -2.217 1.00 0.00 O ATOM 906 CB GLU A 60 -3.013 7.721 -2.257 1.00 0.00 C ATOM 907 CG GLU A 60 -2.997 9.131 -2.831 1.00 0.00 C ATOM 908 CD GLU A 60 -4.046 9.298 -3.895 1.00 0.00 C ATOM 909 OE1 GLU A 60 -4.065 8.513 -4.813 1.00 0.00 O ATOM 910 OE2 GLU A 60 -4.897 10.142 -3.736 1.00 0.00 O ATOM 0 H GLU A 60 -3.970 8.589 -0.126 1.00 0.00 H new ATOM 0 HA GLU A 60 -5.128 7.424 -2.480 1.00 0.00 H new ATOM 0 HB2 GLU A 60 -2.275 7.659 -1.457 1.00 0.00 H new ATOM 0 HB3 GLU A 60 -2.701 7.022 -3.033 1.00 0.00 H new ATOM 0 HG2 GLU A 60 -3.167 9.853 -2.033 1.00 0.00 H new ATOM 0 HG3 GLU A 60 -2.014 9.345 -3.250 1.00 0.00 H new ATOM 917 N PHE A 61 -4.093 5.503 -0.082 1.00 0.00 N ATOM 918 CA PHE A 61 -4.129 4.131 0.408 1.00 0.00 C ATOM 919 C PHE A 61 -5.524 3.535 0.275 1.00 0.00 C ATOM 920 O PHE A 61 -5.686 2.399 -0.171 1.00 0.00 O ATOM 921 CB PHE A 61 -3.669 4.072 1.867 1.00 0.00 C ATOM 922 CG PHE A 61 -3.829 2.719 2.499 1.00 0.00 C ATOM 923 CD1 PHE A 61 -2.864 1.738 2.327 1.00 0.00 C ATOM 924 CD2 PHE A 61 -4.946 2.424 3.266 1.00 0.00 C ATOM 925 CE1 PHE A 61 -3.010 0.493 2.908 1.00 0.00 C ATOM 926 CE2 PHE A 61 -5.095 1.180 3.849 1.00 0.00 C ATOM 927 CZ PHE A 61 -4.126 0.214 3.670 1.00 0.00 C ATOM 0 H PHE A 61 -3.870 6.199 0.630 1.00 0.00 H new ATOM 0 HA PHE A 61 -3.447 3.540 -0.203 1.00 0.00 H new ATOM 0 HB2 PHE A 61 -2.621 4.366 1.920 1.00 0.00 H new ATOM 0 HB3 PHE A 61 -4.234 4.802 2.446 1.00 0.00 H new ATOM 0 HD1 PHE A 61 -1.988 1.950 1.732 1.00 0.00 H new ATOM 0 HD2 PHE A 61 -5.708 3.175 3.409 1.00 0.00 H new ATOM 0 HE1 PHE A 61 -2.251 -0.262 2.766 1.00 0.00 H new ATOM 0 HE2 PHE A 61 -5.970 0.964 4.445 1.00 0.00 H new ATOM 0 HZ PHE A 61 -4.241 -0.759 4.125 1.00 0.00 H new ATOM 937 N LEU A 62 -6.532 4.308 0.667 1.00 0.00 N ATOM 938 CA LEU A 62 -7.920 3.876 0.550 1.00 0.00 C ATOM 939 C LEU A 62 -8.284 3.579 -0.898 1.00 0.00 C ATOM 940 O LEU A 62 -9.076 2.677 -1.177 1.00 0.00 O ATOM 941 CB LEU A 62 -8.857 4.943 1.128 1.00 0.00 C ATOM 942 CG LEU A 62 -8.727 5.179 2.638 1.00 0.00 C ATOM 943 CD1 LEU A 62 -9.601 6.351 3.061 1.00 0.00 C ATOM 944 CD2 LEU A 62 -9.120 3.915 3.387 1.00 0.00 C ATOM 0 H LEU A 62 -6.413 5.238 1.069 1.00 0.00 H new ATOM 0 HA LEU A 62 -8.037 2.955 1.121 1.00 0.00 H new ATOM 0 HB2 LEU A 62 -8.671 5.885 0.612 1.00 0.00 H new ATOM 0 HB3 LEU A 62 -9.886 4.657 0.909 1.00 0.00 H new ATOM 0 HG LEU A 62 -7.692 5.421 2.879 1.00 0.00 H new ATOM 0 HD11 LEU A 62 -9.501 6.510 4.135 1.00 0.00 H new ATOM 0 HD12 LEU A 62 -9.286 7.250 2.530 1.00 0.00 H new ATOM 0 HD13 LEU A 62 -10.642 6.134 2.821 1.00 0.00 H new ATOM 0 HD21 LEU A 62 -9.027 4.084 4.460 1.00 0.00 H new ATOM 0 HD22 LEU A 62 -10.152 3.657 3.148 1.00 0.00 H new ATOM 0 HD23 LEU A 62 -8.463 3.097 3.090 1.00 0.00 H new ATOM 956 N LYS A 63 -7.703 4.341 -1.818 1.00 0.00 N ATOM 957 CA LYS A 63 -7.881 4.093 -3.243 1.00 0.00 C ATOM 958 C LYS A 63 -7.120 2.849 -3.686 1.00 0.00 C ATOM 959 O LYS A 63 -7.620 2.055 -4.484 1.00 0.00 O ATOM 960 CB LYS A 63 -7.427 5.305 -4.059 1.00 0.00 C ATOM 961 CG LYS A 63 -8.254 6.563 -3.830 1.00 0.00 C ATOM 962 CD LYS A 63 -7.663 7.755 -4.566 1.00 0.00 C ATOM 963 CE LYS A 63 -8.335 9.054 -4.148 1.00 0.00 C ATOM 964 NZ LYS A 63 -7.637 10.246 -4.701 1.00 0.00 N ATOM 0 H LYS A 63 -7.103 5.137 -1.601 1.00 0.00 H new ATOM 0 HA LYS A 63 -8.943 3.924 -3.421 1.00 0.00 H new ATOM 0 HB2 LYS A 63 -6.386 5.520 -3.818 1.00 0.00 H new ATOM 0 HB3 LYS A 63 -7.463 5.049 -5.118 1.00 0.00 H new ATOM 0 HG2 LYS A 63 -9.277 6.395 -4.168 1.00 0.00 H new ATOM 0 HG3 LYS A 63 -8.302 6.780 -2.763 1.00 0.00 H new ATOM 0 HD2 LYS A 63 -6.594 7.815 -4.364 1.00 0.00 H new ATOM 0 HD3 LYS A 63 -7.777 7.614 -5.641 1.00 0.00 H new ATOM 0 HE2 LYS A 63 -9.371 9.051 -4.486 1.00 0.00 H new ATOM 0 HE3 LYS A 63 -8.355 9.118 -3.060 1.00 0.00 H new ATOM 0 HZ1 LYS A 63 -8.107 11.111 -4.364 1.00 0.00 H new ATOM 0 HZ2 LYS A 63 -6.646 10.245 -4.386 1.00 0.00 H new ATOM 0 HZ3 LYS A 63 -7.670 10.216 -5.740 1.00 0.00 H new ATOM 978 N MET A 64 -5.910 2.685 -3.163 1.00 0.00 N ATOM 979 CA MET A 64 -5.052 1.572 -3.552 1.00 0.00 C ATOM 980 C MET A 64 -5.659 0.238 -3.137 1.00 0.00 C ATOM 981 O MET A 64 -5.612 -0.737 -3.887 1.00 0.00 O ATOM 982 CB MET A 64 -3.664 1.736 -2.936 1.00 0.00 C ATOM 983 CG MET A 64 -2.705 0.591 -3.232 1.00 0.00 C ATOM 984 SD MET A 64 -2.915 -0.801 -2.103 1.00 0.00 S ATOM 985 CE MET A 64 -2.216 -0.125 -0.599 1.00 0.00 C ATOM 0 H MET A 64 -5.501 3.309 -2.468 1.00 0.00 H new ATOM 0 HA MET A 64 -4.962 1.578 -4.638 1.00 0.00 H new ATOM 0 HB2 MET A 64 -3.225 2.665 -3.301 1.00 0.00 H new ATOM 0 HB3 MET A 64 -3.769 1.836 -1.856 1.00 0.00 H new ATOM 0 HG2 MET A 64 -2.858 0.250 -4.256 1.00 0.00 H new ATOM 0 HG3 MET A 64 -1.680 0.955 -3.167 1.00 0.00 H new ATOM 0 HE1 MET A 64 -1.340 -0.707 -0.311 1.00 0.00 H new ATOM 0 HE2 MET A 64 -1.924 0.912 -0.767 1.00 0.00 H new ATOM 0 HE3 MET A 64 -2.958 -0.168 0.198 1.00 0.00 H new ATOM 995 N MET A 65 -6.230 0.200 -1.937 1.00 0.00 N ATOM 996 CA MET A 65 -6.792 -1.030 -1.394 1.00 0.00 C ATOM 997 C MET A 65 -8.013 -1.475 -2.188 1.00 0.00 C ATOM 998 O MET A 65 -8.376 -2.652 -2.182 1.00 0.00 O ATOM 999 CB MET A 65 -7.157 -0.839 0.076 1.00 0.00 C ATOM 1000 CG MET A 65 -5.963 -0.720 1.012 1.00 0.00 C ATOM 1001 SD MET A 65 -4.931 -2.200 1.014 1.00 0.00 S ATOM 1002 CE MET A 65 -6.020 -3.370 1.821 1.00 0.00 C ATOM 0 H MET A 65 -6.315 1.009 -1.322 1.00 0.00 H new ATOM 0 HA MET A 65 -6.036 -1.811 -1.474 1.00 0.00 H new ATOM 0 HB2 MET A 65 -7.769 0.058 0.172 1.00 0.00 H new ATOM 0 HB3 MET A 65 -7.772 -1.680 0.397 1.00 0.00 H new ATOM 0 HG2 MET A 65 -5.360 0.139 0.717 1.00 0.00 H new ATOM 0 HG3 MET A 65 -6.318 -0.528 2.025 1.00 0.00 H new ATOM 0 HE1 MET A 65 -5.451 -4.250 2.121 1.00 0.00 H new ATOM 0 HE2 MET A 65 -6.463 -2.907 2.703 1.00 0.00 H new ATOM 0 HE3 MET A 65 -6.810 -3.667 1.132 1.00 0.00 H new ATOM 1012 N GLU A 66 -8.646 -0.527 -2.871 1.00 0.00 N ATOM 1013 CA GLU A 66 -9.757 -0.837 -3.763 1.00 0.00 C ATOM 1014 C GLU A 66 -9.258 -1.259 -5.139 1.00 0.00 C ATOM 1015 O GLU A 66 -9.889 -2.070 -5.817 1.00 0.00 O ATOM 1016 CB GLU A 66 -10.694 0.366 -3.891 1.00 0.00 C ATOM 1017 CG GLU A 66 -11.441 0.719 -2.612 1.00 0.00 C ATOM 1018 CD GLU A 66 -12.303 1.937 -2.802 1.00 0.00 C ATOM 1019 OE1 GLU A 66 -12.304 2.478 -3.882 1.00 0.00 O ATOM 1020 OE2 GLU A 66 -13.043 2.262 -1.904 1.00 0.00 O ATOM 0 H GLU A 66 -8.408 0.464 -2.824 1.00 0.00 H new ATOM 0 HA GLU A 66 -10.309 -1.671 -3.329 1.00 0.00 H new ATOM 0 HB2 GLU A 66 -10.113 1.232 -4.209 1.00 0.00 H new ATOM 0 HB3 GLU A 66 -11.421 0.163 -4.678 1.00 0.00 H new ATOM 0 HG2 GLU A 66 -12.061 -0.124 -2.306 1.00 0.00 H new ATOM 0 HG3 GLU A 66 -10.727 0.898 -1.808 1.00 0.00 H new ATOM 1027 N ASN A 67 -8.122 -0.706 -5.546 1.00 0.00 N ATOM 1028 CA ASN A 67 -7.542 -1.013 -6.848 1.00 0.00 C ATOM 1029 C ASN A 67 -6.706 -2.286 -6.792 1.00 0.00 C ATOM 1030 O ASN A 67 -6.463 -2.925 -7.815 1.00 0.00 O ATOM 1031 CB ASN A 67 -6.708 0.140 -7.372 1.00 0.00 C ATOM 1032 CG ASN A 67 -7.519 1.345 -7.763 1.00 0.00 C ATOM 1033 OD1 ASN A 67 -8.708 1.241 -8.081 1.00 0.00 O ATOM 1034 ND2 ASN A 67 -6.860 2.474 -7.820 1.00 0.00 N ATOM 0 H ASN A 67 -7.583 -0.041 -4.992 1.00 0.00 H new ATOM 0 HA ASN A 67 -8.370 -1.173 -7.538 1.00 0.00 H new ATOM 0 HB2 ASN A 67 -5.986 0.431 -6.609 1.00 0.00 H new ATOM 0 HB3 ASN A 67 -6.138 -0.199 -8.237 1.00 0.00 H new ATOM 0 HD21 ASN A 67 -7.328 3.322 -8.139 1.00 0.00 H new ATOM 0 HD22 ASN A 67 -5.878 2.506 -7.546 1.00 0.00 H new ATOM 1041 N VAL A 68 -6.267 -2.646 -5.591 1.00 0.00 N ATOM 1042 CA VAL A 68 -5.400 -3.804 -5.408 1.00 0.00 C ATOM 1043 C VAL A 68 -6.098 -4.894 -4.605 1.00 0.00 C ATOM 1044 O VAL A 68 -6.460 -4.690 -3.446 1.00 0.00 O ATOM 1045 CB VAL A 68 -4.087 -3.420 -4.699 1.00 0.00 C ATOM 1046 CG1 VAL A 68 -3.225 -4.652 -4.471 1.00 0.00 C ATOM 1047 CG2 VAL A 68 -3.327 -2.383 -5.512 1.00 0.00 C ATOM 0 H VAL A 68 -6.498 -2.152 -4.729 1.00 0.00 H new ATOM 0 HA VAL A 68 -5.168 -4.183 -6.403 1.00 0.00 H new ATOM 0 HB VAL A 68 -4.333 -2.987 -3.730 1.00 0.00 H new ATOM 0 HG11 VAL A 68 -2.302 -4.362 -3.969 1.00 0.00 H new ATOM 0 HG12 VAL A 68 -3.767 -5.365 -3.850 1.00 0.00 H new ATOM 0 HG13 VAL A 68 -2.988 -5.113 -5.430 1.00 0.00 H new ATOM 0 HG21 VAL A 68 -2.402 -2.123 -4.997 1.00 0.00 H new ATOM 0 HG22 VAL A 68 -3.092 -2.792 -6.495 1.00 0.00 H new ATOM 0 HG23 VAL A 68 -3.941 -1.490 -5.628 1.00 0.00 H new ATOM 1057 N GLN A 69 -6.285 -6.053 -5.229 1.00 0.00 N ATOM 1058 CA GLN A 69 -6.930 -7.182 -4.569 1.00 0.00 C ATOM 1059 C GLN A 69 -6.126 -7.647 -3.363 1.00 0.00 C ATOM 1060 O GLN A 69 -6.209 -7.056 -2.321 1.00 0.00 O ATOM 1061 CB GLN A 69 -7.109 -8.344 -5.550 1.00 0.00 C ATOM 1062 CG GLN A 69 -7.864 -9.531 -4.977 1.00 0.00 C ATOM 1063 CD GLN A 69 -8.136 -10.600 -6.017 1.00 0.00 C ATOM 1064 OE1 GLN A 69 -7.717 -10.485 -7.172 1.00 0.00 O ATOM 1065 NE2 GLN A 69 -8.846 -11.648 -5.615 1.00 0.00 N ATOM 1066 OXT GLN A 69 -5.410 -8.606 -3.451 1.00 0.00 O ATOM 0 H GLN A 69 -5.999 -6.235 -6.191 1.00 0.00 H new ATOM 0 HA GLN A 69 -7.909 -6.849 -4.224 1.00 0.00 H new ATOM 0 HB2 GLN A 69 -7.638 -7.982 -6.432 1.00 0.00 H new ATOM 0 HB3 GLN A 69 -6.126 -8.679 -5.883 1.00 0.00 H new ATOM 0 HG2 GLN A 69 -7.289 -9.963 -4.158 1.00 0.00 H new ATOM 0 HG3 GLN A 69 -8.809 -9.188 -4.557 1.00 0.00 H new ATOM 0 HE21 GLN A 69 -9.173 -11.703 -4.650 1.00 0.00 H new ATOM 0 HE22 GLN A 69 -9.064 -12.398 -6.271 1.00 0.00 H new TER 1075 GLN A 69