USER MOD reduce.3.24.130724 H: found=0, std=0, add=417, rem=0, adj=3 USER MOD reduce.3.24.130724 removed 417 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 39 GLN : amide:sc= -5.4! C(o=-6.5!,f=-3.3!) USER MOD Set 1.2: A 49 HIS : no HD1:sc= -1.13 K(o=-6.5,f=-3.3) USER MOD Set 2.1: A 12 CYS SG : rot 117:sc= -7.3! USER MOD Set 2.2: A 16 GLN : amide:sc= -13.3! C(o=-21!,f=-21!) USER MOD Single : A 2 GLN : amide:sc= 0 K(o=0,f=-1.3) USER MOD Single : A 6 ASN : amide:sc= -0.102 K(o=-0.1,f=-2.4!) USER MOD Single : A 8 GLN : amide:sc= -0.208 X(o=-0.21,f=-0.016) USER MOD Single : A 10 MET CE :methyl -142:sc= -9.12! (180deg=-11.4!) USER MOD Single : A 11 GLN : amide:sc= -0.53 K(o=-0.53,f=-2.8!) USER MOD Single : A 17 THR OG1 : rot 124:sc= 0.993 USER MOD Single : A 19 HIS : no HD1:sc= 0 X(o=0,f=0) USER MOD Single : A 24 GLN : amide:sc= -1.47! C(o=-1.5!,f=-3!) USER MOD Single : A 37 ASN : amide:sc= -4.63! C(o=-4.6!,f=-6.2!) USER MOD Single : A 38 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 45 GLN : amide:sc= -0.129 K(o=-0.13,f=-0.7) USER MOD Single : A 48 GLN : amide:sc= -0.0299 X(o=-0.03,f=-0.17) USER MOD Single : A 52 GLN : amide:sc= -1.28 K(o=-1.3,f=-4.4!) USER MOD Single : A 56 GLN : amide:sc= -0.361 K(o=-0.36,f=-3.5!) USER MOD ----------------------------------------------------------------- ATOM 20 N GLN A 2 11.779 4.151 1.572 1.00 0.00 N ATOM 21 CA GLN A 2 10.826 5.168 2.067 1.00 0.00 C ATOM 22 C GLN A 2 9.623 5.176 1.189 1.00 0.00 C ATOM 23 O GLN A 2 9.665 4.799 0.039 1.00 0.00 O ATOM 24 CB GLN A 2 11.547 6.490 1.990 1.00 0.00 C ATOM 25 CG GLN A 2 10.781 7.526 2.811 1.00 0.00 C ATOM 26 CD GLN A 2 11.421 8.907 2.642 1.00 0.00 C ATOM 27 OE1 GLN A 2 12.039 9.186 1.634 1.00 0.00 O ATOM 28 NE2 GLN A 2 11.304 9.788 3.600 1.00 0.00 N ATOM 0 HA GLN A 2 10.497 4.965 3.086 1.00 0.00 H new ATOM 0 HB2 GLN A 2 12.564 6.386 2.369 1.00 0.00 H new ATOM 0 HB3 GLN A 2 11.626 6.816 0.953 1.00 0.00 H new ATOM 0 HG2 GLN A 2 9.739 7.557 2.491 1.00 0.00 H new ATOM 0 HG3 GLN A 2 10.783 7.242 3.863 1.00 0.00 H new ATOM 0 HE21 GLN A 2 10.785 9.555 4.447 1.00 0.00 H new ATOM 0 HE22 GLN A 2 11.731 10.709 3.501 1.00 0.00 H new ATOM 37 N ILE A 3 8.522 5.524 1.736 1.00 0.00 N ATOM 38 CA ILE A 3 7.315 5.457 0.941 1.00 0.00 C ATOM 39 C ILE A 3 6.337 6.551 1.310 1.00 0.00 C ATOM 40 O ILE A 3 6.522 7.286 2.261 1.00 0.00 O ATOM 41 CB ILE A 3 6.737 4.087 1.300 1.00 0.00 C ATOM 42 CG1 ILE A 3 5.719 4.226 2.440 1.00 0.00 C ATOM 43 CG2 ILE A 3 7.866 3.141 1.759 1.00 0.00 C ATOM 44 CD1 ILE A 3 5.706 2.958 3.302 1.00 0.00 C ATOM 0 H ILE A 3 8.410 5.850 2.696 1.00 0.00 H new ATOM 0 HA ILE A 3 7.512 5.588 -0.123 1.00 0.00 H new ATOM 0 HB ILE A 3 6.247 3.678 0.416 1.00 0.00 H new ATOM 0 HG12 ILE A 3 5.969 5.090 3.056 1.00 0.00 H new ATOM 0 HG13 ILE A 3 4.725 4.404 2.029 1.00 0.00 H new ATOM 0 HG21 ILE A 3 7.445 2.168 2.013 1.00 0.00 H new ATOM 0 HG22 ILE A 3 8.592 3.024 0.954 1.00 0.00 H new ATOM 0 HG23 ILE A 3 8.360 3.562 2.635 1.00 0.00 H new ATOM 0 HD11 ILE A 3 4.979 3.072 4.106 1.00 0.00 H new ATOM 0 HD12 ILE A 3 5.433 2.102 2.685 1.00 0.00 H new ATOM 0 HD13 ILE A 3 6.696 2.798 3.728 1.00 0.00 H new ATOM 56 N LEU A 4 5.260 6.608 0.604 1.00 0.00 N ATOM 57 CA LEU A 4 4.223 7.581 0.954 1.00 0.00 C ATOM 58 C LEU A 4 2.901 6.843 1.102 1.00 0.00 C ATOM 59 O LEU A 4 2.321 6.377 0.145 1.00 0.00 O ATOM 60 CB LEU A 4 4.154 8.579 -0.193 1.00 0.00 C ATOM 61 CG LEU A 4 3.140 9.665 0.181 1.00 0.00 C ATOM 62 CD1 LEU A 4 1.741 9.101 -0.019 1.00 0.00 C ATOM 63 CD2 LEU A 4 3.324 10.046 1.649 1.00 0.00 C ATOM 0 H LEU A 4 5.055 6.019 -0.203 1.00 0.00 H new ATOM 0 HA LEU A 4 4.439 8.097 1.890 1.00 0.00 H new ATOM 0 HB2 LEU A 4 5.134 9.020 -0.373 1.00 0.00 H new ATOM 0 HB3 LEU A 4 3.854 8.080 -1.114 1.00 0.00 H new ATOM 0 HG LEU A 4 3.286 10.548 -0.442 1.00 0.00 H new ATOM 0 HD11 LEU A 4 1.002 9.859 0.242 1.00 0.00 H new ATOM 0 HD12 LEU A 4 1.611 8.812 -1.062 1.00 0.00 H new ATOM 0 HD13 LEU A 4 1.606 8.228 0.619 1.00 0.00 H new ATOM 0 HD21 LEU A 4 2.604 10.819 1.917 1.00 0.00 H new ATOM 0 HD22 LEU A 4 3.165 9.168 2.275 1.00 0.00 H new ATOM 0 HD23 LEU A 4 4.335 10.423 1.803 1.00 0.00 H new ATOM 75 N PHE A 5 2.420 6.734 2.293 1.00 0.00 N ATOM 76 CA PHE A 5 1.136 6.029 2.507 1.00 0.00 C ATOM 77 C PHE A 5 0.064 7.078 2.842 1.00 0.00 C ATOM 78 O PHE A 5 0.030 7.619 3.928 1.00 0.00 O ATOM 79 CB PHE A 5 1.433 5.111 3.696 1.00 0.00 C ATOM 80 CG PHE A 5 0.213 4.319 4.109 1.00 0.00 C ATOM 81 CD1 PHE A 5 -0.816 4.061 3.195 1.00 0.00 C ATOM 82 CD2 PHE A 5 0.125 3.830 5.418 1.00 0.00 C ATOM 83 CE1 PHE A 5 -1.933 3.312 3.596 1.00 0.00 C ATOM 84 CE2 PHE A 5 -0.989 3.085 5.817 1.00 0.00 C ATOM 85 CZ PHE A 5 -2.017 2.825 4.908 1.00 0.00 C ATOM 0 H PHE A 5 2.860 7.103 3.136 1.00 0.00 H new ATOM 0 HA PHE A 5 0.769 5.465 1.650 1.00 0.00 H new ATOM 0 HB2 PHE A 5 2.240 4.426 3.435 1.00 0.00 H new ATOM 0 HB3 PHE A 5 1.782 5.708 4.539 1.00 0.00 H new ATOM 0 HD1 PHE A 5 -0.750 4.437 2.185 1.00 0.00 H new ATOM 0 HD2 PHE A 5 0.920 4.029 6.122 1.00 0.00 H new ATOM 0 HE1 PHE A 5 -2.728 3.111 2.894 1.00 0.00 H new ATOM 0 HE2 PHE A 5 -1.054 2.711 6.828 1.00 0.00 H new ATOM 0 HZ PHE A 5 -2.877 2.249 5.216 1.00 0.00 H new ATOM 95 N ASN A 6 -0.786 7.395 1.903 1.00 0.00 N ATOM 96 CA ASN A 6 -1.827 8.436 2.152 1.00 0.00 C ATOM 97 C ASN A 6 -1.168 9.771 2.468 1.00 0.00 C ATOM 98 O ASN A 6 -1.380 10.376 3.502 1.00 0.00 O ATOM 99 CB ASN A 6 -2.678 7.929 3.319 1.00 0.00 C ATOM 100 CG ASN A 6 -4.015 8.676 3.338 1.00 0.00 C ATOM 101 OD1 ASN A 6 -4.332 9.399 2.414 1.00 0.00 O ATOM 102 ND2 ASN A 6 -4.820 8.535 4.357 1.00 0.00 N ATOM 0 H ASN A 6 -0.805 6.978 0.972 1.00 0.00 H new ATOM 0 HA ASN A 6 -2.454 8.601 1.276 1.00 0.00 H new ATOM 0 HB2 ASN A 6 -2.849 6.857 3.219 1.00 0.00 H new ATOM 0 HB3 ASN A 6 -2.151 8.081 4.261 1.00 0.00 H new ATOM 0 HD21 ASN A 6 -5.711 9.031 4.375 1.00 0.00 H new ATOM 0 HD22 ASN A 6 -4.557 7.929 5.134 1.00 0.00 H new ATOM 109 N ASP A 7 -0.365 10.215 1.558 1.00 0.00 N ATOM 110 CA ASP A 7 0.359 11.505 1.719 1.00 0.00 C ATOM 111 C ASP A 7 1.175 11.480 3.013 1.00 0.00 C ATOM 112 O ASP A 7 1.588 12.504 3.520 1.00 0.00 O ATOM 113 CB ASP A 7 -0.682 12.619 1.755 1.00 0.00 C ATOM 114 CG ASP A 7 -1.918 12.246 0.929 1.00 0.00 C ATOM 115 OD1 ASP A 7 -1.770 11.497 -0.022 1.00 0.00 O ATOM 116 OD2 ASP A 7 -2.993 12.722 1.261 1.00 0.00 O ATOM 0 H ASP A 7 -0.171 9.729 0.683 1.00 0.00 H new ATOM 0 HA ASP A 7 1.050 11.671 0.892 1.00 0.00 H new ATOM 0 HB2 ASP A 7 -0.975 12.814 2.787 1.00 0.00 H new ATOM 0 HB3 ASP A 7 -0.247 13.540 1.368 1.00 0.00 H new ATOM 121 N GLN A 8 1.442 10.308 3.526 1.00 0.00 N ATOM 122 CA GLN A 8 2.273 10.200 4.766 1.00 0.00 C ATOM 123 C GLN A 8 3.579 9.486 4.431 1.00 0.00 C ATOM 124 O GLN A 8 3.582 8.366 3.970 1.00 0.00 O ATOM 125 CB GLN A 8 1.464 9.357 5.746 1.00 0.00 C ATOM 126 CG GLN A 8 0.067 9.949 5.901 1.00 0.00 C ATOM 127 CD GLN A 8 -0.373 9.821 7.358 1.00 0.00 C ATOM 128 OE1 GLN A 8 -0.975 10.724 7.907 1.00 0.00 O ATOM 129 NE2 GLN A 8 -0.085 8.730 8.014 1.00 0.00 N ATOM 0 H GLN A 8 1.121 9.419 3.141 1.00 0.00 H new ATOM 0 HA GLN A 8 2.510 11.178 5.184 1.00 0.00 H new ATOM 0 HB2 GLN A 8 1.397 8.330 5.388 1.00 0.00 H new ATOM 0 HB3 GLN A 8 1.965 9.325 6.713 1.00 0.00 H new ATOM 0 HG2 GLN A 8 0.067 10.996 5.599 1.00 0.00 H new ATOM 0 HG3 GLN A 8 -0.636 9.430 5.249 1.00 0.00 H new ATOM 0 HE21 GLN A 8 0.420 7.975 7.551 1.00 0.00 H new ATOM 0 HE22 GLN A 8 -0.365 8.633 8.990 1.00 0.00 H new ATOM 138 N ALA A 9 4.689 10.118 4.640 1.00 0.00 N ATOM 139 CA ALA A 9 5.975 9.453 4.302 1.00 0.00 C ATOM 140 C ALA A 9 6.281 8.306 5.271 1.00 0.00 C ATOM 141 O ALA A 9 5.866 8.310 6.414 1.00 0.00 O ATOM 142 CB ALA A 9 7.024 10.548 4.415 1.00 0.00 C ATOM 0 H ALA A 9 4.767 11.059 5.027 1.00 0.00 H new ATOM 0 HA ALA A 9 5.949 9.007 3.308 1.00 0.00 H new ATOM 0 HB1 ALA A 9 8.006 10.137 4.180 1.00 0.00 H new ATOM 0 HB2 ALA A 9 6.789 11.350 3.715 1.00 0.00 H new ATOM 0 HB3 ALA A 9 7.030 10.943 5.431 1.00 0.00 H new ATOM 148 N MET A 10 6.993 7.319 4.800 1.00 0.00 N ATOM 149 CA MET A 10 7.332 6.137 5.658 1.00 0.00 C ATOM 150 C MET A 10 8.670 5.533 5.270 1.00 0.00 C ATOM 151 O MET A 10 9.303 5.945 4.328 1.00 0.00 O ATOM 152 CB MET A 10 6.308 5.089 5.285 1.00 0.00 C ATOM 153 CG MET A 10 5.898 4.266 6.497 1.00 0.00 C ATOM 154 SD MET A 10 4.513 5.065 7.341 1.00 0.00 S ATOM 155 CE MET A 10 3.210 4.511 6.214 1.00 0.00 C ATOM 0 H MET A 10 7.360 7.276 3.849 1.00 0.00 H new ATOM 0 HA MET A 10 7.354 6.432 6.707 1.00 0.00 H new ATOM 0 HB2 MET A 10 5.430 5.571 4.855 1.00 0.00 H new ATOM 0 HB3 MET A 10 6.718 4.432 4.518 1.00 0.00 H new ATOM 0 HG2 MET A 10 5.615 3.260 6.186 1.00 0.00 H new ATOM 0 HG3 MET A 10 6.741 4.163 7.180 1.00 0.00 H new ATOM 0 HE1 MET A 10 2.481 5.310 6.080 1.00 0.00 H new ATOM 0 HE2 MET A 10 3.648 4.254 5.250 1.00 0.00 H new ATOM 0 HE3 MET A 10 2.715 3.635 6.633 1.00 0.00 H new ATOM 165 N GLN A 11 9.036 4.482 5.949 1.00 0.00 N ATOM 166 CA GLN A 11 10.264 3.725 5.598 1.00 0.00 C ATOM 167 C GLN A 11 9.969 2.259 5.878 1.00 0.00 C ATOM 168 O GLN A 11 9.609 1.877 6.975 1.00 0.00 O ATOM 169 CB GLN A 11 11.402 4.186 6.484 1.00 0.00 C ATOM 170 CG GLN A 11 11.204 5.636 6.927 1.00 0.00 C ATOM 171 CD GLN A 11 10.491 5.667 8.280 1.00 0.00 C ATOM 172 OE1 GLN A 11 10.064 4.644 8.778 1.00 0.00 O ATOM 173 NE2 GLN A 11 10.338 6.806 8.899 1.00 0.00 N ATOM 0 H GLN A 11 8.523 4.110 6.749 1.00 0.00 H new ATOM 0 HA GLN A 11 10.543 3.880 4.556 1.00 0.00 H new ATOM 0 HB2 GLN A 11 11.469 3.541 7.360 1.00 0.00 H new ATOM 0 HB3 GLN A 11 12.346 4.093 5.947 1.00 0.00 H new ATOM 0 HG2 GLN A 11 12.168 6.139 7.001 1.00 0.00 H new ATOM 0 HG3 GLN A 11 10.619 6.177 6.184 1.00 0.00 H new ATOM 0 HE21 GLN A 11 10.696 7.665 8.482 1.00 0.00 H new ATOM 0 HE22 GLN A 11 9.860 6.837 9.800 1.00 0.00 H new ATOM 182 N CYS A 12 10.081 1.455 4.885 1.00 0.00 N ATOM 183 CA CYS A 12 9.763 0.000 5.052 1.00 0.00 C ATOM 184 C CYS A 12 10.740 -0.911 4.300 1.00 0.00 C ATOM 185 O CYS A 12 11.834 -0.528 3.943 1.00 0.00 O ATOM 186 CB CYS A 12 8.348 -0.148 4.489 1.00 0.00 C ATOM 187 SG CYS A 12 8.405 -0.084 2.682 1.00 0.00 S ATOM 0 H CYS A 12 10.380 1.727 3.949 1.00 0.00 H new ATOM 0 HA CYS A 12 9.844 -0.301 6.096 1.00 0.00 H new ATOM 0 HB2 CYS A 12 7.912 -1.092 4.816 1.00 0.00 H new ATOM 0 HB3 CYS A 12 7.708 0.648 4.871 1.00 0.00 H new ATOM 0 HG CYS A 12 7.997 -1.218 2.195 1.00 0.00 H new ATOM 193 N ALA A 13 10.338 -2.139 4.102 1.00 0.00 N ATOM 194 CA ALA A 13 11.203 -3.135 3.417 1.00 0.00 C ATOM 195 C ALA A 13 11.138 -3.009 1.899 1.00 0.00 C ATOM 196 O ALA A 13 10.204 -3.462 1.272 1.00 0.00 O ATOM 197 CB ALA A 13 10.631 -4.493 3.829 1.00 0.00 C ATOM 0 H ALA A 13 9.428 -2.497 4.393 1.00 0.00 H new ATOM 0 HA ALA A 13 12.248 -2.994 3.695 1.00 0.00 H new ATOM 0 HB1 ALA A 13 11.213 -5.289 3.365 1.00 0.00 H new ATOM 0 HB2 ALA A 13 10.678 -4.594 4.913 1.00 0.00 H new ATOM 0 HB3 ALA A 13 9.594 -4.565 3.502 1.00 0.00 H new ATOM 203 N ALA A 14 12.125 -2.429 1.289 1.00 0.00 N ATOM 204 CA ALA A 14 12.081 -2.338 -0.191 1.00 0.00 C ATOM 205 C ALA A 14 12.009 -3.732 -0.773 1.00 0.00 C ATOM 206 O ALA A 14 12.716 -4.632 -0.369 1.00 0.00 O ATOM 207 CB ALA A 14 13.372 -1.669 -0.619 1.00 0.00 C ATOM 0 H ALA A 14 12.945 -2.021 1.738 1.00 0.00 H new ATOM 0 HA ALA A 14 11.214 -1.774 -0.535 1.00 0.00 H new ATOM 0 HB1 ALA A 14 13.391 -1.577 -1.705 1.00 0.00 H new ATOM 0 HB2 ALA A 14 13.435 -0.678 -0.169 1.00 0.00 H new ATOM 0 HB3 ALA A 14 14.220 -2.270 -0.291 1.00 0.00 H new ATOM 213 N GLY A 15 11.158 -3.910 -1.716 1.00 0.00 N ATOM 214 CA GLY A 15 11.019 -5.238 -2.338 1.00 0.00 C ATOM 215 C GLY A 15 9.860 -5.986 -1.686 1.00 0.00 C ATOM 216 O GLY A 15 9.497 -7.065 -2.109 1.00 0.00 O ATOM 0 H GLY A 15 10.543 -3.187 -2.091 1.00 0.00 H new ATOM 0 HA2 GLY A 15 10.842 -5.133 -3.408 1.00 0.00 H new ATOM 0 HA3 GLY A 15 11.943 -5.804 -2.222 1.00 0.00 H new ATOM 220 N GLN A 16 9.263 -5.429 -0.660 1.00 0.00 N ATOM 221 CA GLN A 16 8.132 -6.123 -0.014 1.00 0.00 C ATOM 222 C GLN A 16 6.821 -5.636 -0.659 1.00 0.00 C ATOM 223 O GLN A 16 6.573 -4.449 -0.726 1.00 0.00 O ATOM 224 CB GLN A 16 8.272 -5.729 1.468 1.00 0.00 C ATOM 225 CG GLN A 16 7.123 -4.829 1.936 1.00 0.00 C ATOM 226 CD GLN A 16 7.498 -3.358 1.787 1.00 0.00 C ATOM 227 OE1 GLN A 16 7.374 -2.598 2.724 1.00 0.00 O ATOM 228 NE2 GLN A 16 7.932 -2.918 0.641 1.00 0.00 N ATOM 0 H GLN A 16 9.516 -4.529 -0.252 1.00 0.00 H new ATOM 0 HA GLN A 16 8.126 -7.207 -0.124 1.00 0.00 H new ATOM 0 HB2 GLN A 16 8.299 -6.630 2.081 1.00 0.00 H new ATOM 0 HB3 GLN A 16 9.220 -5.213 1.617 1.00 0.00 H new ATOM 0 HG2 GLN A 16 6.227 -5.042 1.354 1.00 0.00 H new ATOM 0 HG3 GLN A 16 6.885 -5.046 2.978 1.00 0.00 H new ATOM 0 HE21 GLN A 16 8.035 -3.559 -0.145 1.00 0.00 H new ATOM 0 HE22 GLN A 16 8.169 -1.932 0.530 1.00 0.00 H new ATOM 237 N THR A 17 5.991 -6.521 -1.152 1.00 0.00 N ATOM 238 CA THR A 17 4.728 -6.057 -1.799 1.00 0.00 C ATOM 239 C THR A 17 3.948 -5.113 -0.902 1.00 0.00 C ATOM 240 O THR A 17 4.416 -4.609 0.096 1.00 0.00 O ATOM 241 CB THR A 17 3.821 -7.268 -2.003 1.00 0.00 C ATOM 242 OG1 THR A 17 3.127 -7.534 -0.791 1.00 0.00 O ATOM 243 CG2 THR A 17 4.598 -8.512 -2.387 1.00 0.00 C ATOM 0 H THR A 17 6.131 -7.531 -1.135 1.00 0.00 H new ATOM 0 HA THR A 17 5.001 -5.555 -2.727 1.00 0.00 H new ATOM 0 HB THR A 17 3.135 -7.030 -2.816 1.00 0.00 H new ATOM 0 HG1 THR A 17 2.161 -7.525 -0.958 1.00 0.00 H new ATOM 0 HG21 THR A 17 3.908 -9.345 -2.521 1.00 0.00 H new ATOM 0 HG22 THR A 17 5.135 -8.333 -3.318 1.00 0.00 H new ATOM 0 HG23 THR A 17 5.310 -8.754 -1.598 1.00 0.00 H new ATOM 251 N VAL A 18 2.718 -4.942 -1.269 1.00 0.00 N ATOM 252 CA VAL A 18 1.764 -4.101 -0.506 1.00 0.00 C ATOM 253 C VAL A 18 1.279 -4.878 0.683 1.00 0.00 C ATOM 254 O VAL A 18 1.441 -4.483 1.818 1.00 0.00 O ATOM 255 CB VAL A 18 0.629 -3.969 -1.448 1.00 0.00 C ATOM 256 CG1 VAL A 18 -0.431 -3.076 -0.847 1.00 0.00 C ATOM 257 CG2 VAL A 18 1.150 -3.414 -2.758 1.00 0.00 C ATOM 0 H VAL A 18 2.316 -5.369 -2.104 1.00 0.00 H new ATOM 0 HA VAL A 18 2.188 -3.156 -0.166 1.00 0.00 H new ATOM 0 HB VAL A 18 0.172 -4.940 -1.637 1.00 0.00 H new ATOM 0 HG11 VAL A 18 -1.264 -2.981 -1.543 1.00 0.00 H new ATOM 0 HG12 VAL A 18 -0.786 -3.511 0.087 1.00 0.00 H new ATOM 0 HG13 VAL A 18 -0.008 -2.091 -0.651 1.00 0.00 H new ATOM 0 HG21 VAL A 18 0.325 -3.311 -3.463 1.00 0.00 H new ATOM 0 HG22 VAL A 18 1.604 -2.438 -2.585 1.00 0.00 H new ATOM 0 HG23 VAL A 18 1.896 -4.093 -3.170 1.00 0.00 H new ATOM 267 N HIS A 19 0.738 -6.043 0.422 1.00 0.00 N ATOM 268 CA HIS A 19 0.321 -6.903 1.540 1.00 0.00 C ATOM 269 C HIS A 19 1.530 -6.972 2.442 1.00 0.00 C ATOM 270 O HIS A 19 1.448 -7.097 3.652 1.00 0.00 O ATOM 271 CB HIS A 19 0.058 -8.257 0.888 1.00 0.00 C ATOM 272 CG HIS A 19 -0.562 -9.197 1.891 1.00 0.00 C ATOM 273 ND1 HIS A 19 -1.937 -9.293 2.073 1.00 0.00 N ATOM 274 CD2 HIS A 19 -0.006 -10.087 2.777 1.00 0.00 C ATOM 275 CE1 HIS A 19 -2.156 -10.211 3.033 1.00 0.00 C ATOM 276 NE2 HIS A 19 -1.013 -10.725 3.496 1.00 0.00 N ATOM 0 H HIS A 19 0.574 -6.421 -0.511 1.00 0.00 H new ATOM 0 HA HIS A 19 -0.550 -6.570 2.104 1.00 0.00 H new ATOM 0 HB2 HIS A 19 -0.605 -8.135 0.032 1.00 0.00 H new ATOM 0 HB3 HIS A 19 0.991 -8.677 0.511 1.00 0.00 H new ATOM 0 HD2 HIS A 19 1.052 -10.265 2.898 1.00 0.00 H new ATOM 0 HE1 HIS A 19 -3.136 -10.497 3.386 1.00 0.00 H new ATOM 0 HE2 HIS A 19 -0.902 -11.434 4.221 1.00 0.00 H new ATOM 284 N GLU A 20 2.669 -6.823 1.818 1.00 0.00 N ATOM 285 CA GLU A 20 3.937 -6.815 2.582 1.00 0.00 C ATOM 286 C GLU A 20 4.143 -5.420 3.160 1.00 0.00 C ATOM 287 O GLU A 20 4.621 -5.253 4.263 1.00 0.00 O ATOM 288 CB GLU A 20 5.021 -7.137 1.563 1.00 0.00 C ATOM 289 CG GLU A 20 5.061 -8.643 1.303 1.00 0.00 C ATOM 290 CD GLU A 20 6.502 -9.140 1.432 1.00 0.00 C ATOM 291 OE1 GLU A 20 7.190 -8.677 2.328 1.00 0.00 O ATOM 292 OE2 GLU A 20 6.897 -9.969 0.629 1.00 0.00 O ATOM 0 H GLU A 20 2.769 -6.707 0.810 1.00 0.00 H new ATOM 0 HA GLU A 20 3.946 -7.529 3.406 1.00 0.00 H new ATOM 0 HB2 GLU A 20 4.827 -6.604 0.632 1.00 0.00 H new ATOM 0 HB3 GLU A 20 5.989 -6.797 1.930 1.00 0.00 H new ATOM 0 HG2 GLU A 20 4.420 -9.164 2.014 1.00 0.00 H new ATOM 0 HG3 GLU A 20 4.676 -8.862 0.307 1.00 0.00 H new ATOM 299 N LEU A 21 3.777 -4.414 2.409 1.00 0.00 N ATOM 300 CA LEU A 21 3.940 -3.019 2.901 1.00 0.00 C ATOM 301 C LEU A 21 3.005 -2.782 4.079 1.00 0.00 C ATOM 302 O LEU A 21 3.430 -2.519 5.183 1.00 0.00 O ATOM 303 CB LEU A 21 3.502 -2.148 1.719 1.00 0.00 C ATOM 304 CG LEU A 21 4.074 -0.736 1.851 1.00 0.00 C ATOM 305 CD1 LEU A 21 3.368 -0.006 2.989 1.00 0.00 C ATOM 306 CD2 LEU A 21 5.571 -0.807 2.146 1.00 0.00 C ATOM 0 H LEU A 21 3.373 -4.501 1.477 1.00 0.00 H new ATOM 0 HA LEU A 21 4.956 -2.804 3.232 1.00 0.00 H new ATOM 0 HB2 LEU A 21 3.839 -2.597 0.785 1.00 0.00 H new ATOM 0 HB3 LEU A 21 2.414 -2.103 1.677 1.00 0.00 H new ATOM 0 HG LEU A 21 3.917 -0.198 0.916 1.00 0.00 H new ATOM 0 HD11 LEU A 21 3.775 1.001 3.084 1.00 0.00 H new ATOM 0 HD12 LEU A 21 2.301 0.053 2.777 1.00 0.00 H new ATOM 0 HD13 LEU A 21 3.523 -0.549 3.921 1.00 0.00 H new ATOM 0 HD21 LEU A 21 5.972 0.202 2.239 1.00 0.00 H new ATOM 0 HD22 LEU A 21 5.733 -1.349 3.078 1.00 0.00 H new ATOM 0 HD23 LEU A 21 6.078 -1.325 1.332 1.00 0.00 H new ATOM 318 N LEU A 22 1.731 -2.900 3.851 1.00 0.00 N ATOM 319 CA LEU A 22 0.754 -2.692 4.949 1.00 0.00 C ATOM 320 C LEU A 22 1.138 -3.519 6.164 1.00 0.00 C ATOM 321 O LEU A 22 1.342 -3.005 7.244 1.00 0.00 O ATOM 322 CB LEU A 22 -0.550 -3.203 4.361 1.00 0.00 C ATOM 323 CG LEU A 22 -1.173 -2.111 3.506 1.00 0.00 C ATOM 324 CD1 LEU A 22 -1.059 -2.470 2.022 1.00 0.00 C ATOM 325 CD2 LEU A 22 -2.636 -1.993 3.897 1.00 0.00 C ATOM 0 H LEU A 22 1.322 -3.133 2.946 1.00 0.00 H new ATOM 0 HA LEU A 22 0.701 -1.655 5.281 1.00 0.00 H new ATOM 0 HB2 LEU A 22 -0.368 -4.093 3.759 1.00 0.00 H new ATOM 0 HB3 LEU A 22 -1.234 -3.492 5.159 1.00 0.00 H new ATOM 0 HG LEU A 22 -0.655 -1.165 3.668 1.00 0.00 H new ATOM 0 HD11 LEU A 22 -1.509 -1.680 1.421 1.00 0.00 H new ATOM 0 HD12 LEU A 22 -0.008 -2.577 1.753 1.00 0.00 H new ATOM 0 HD13 LEU A 22 -1.579 -3.409 1.834 1.00 0.00 H new ATOM 0 HD21 LEU A 22 -3.111 -1.215 3.299 1.00 0.00 H new ATOM 0 HD22 LEU A 22 -3.138 -2.944 3.720 1.00 0.00 H new ATOM 0 HD23 LEU A 22 -2.711 -1.735 4.953 1.00 0.00 H new ATOM 337 N GLU A 23 1.255 -4.793 5.989 1.00 0.00 N ATOM 338 CA GLU A 23 1.648 -5.649 7.137 1.00 0.00 C ATOM 339 C GLU A 23 2.961 -5.136 7.728 1.00 0.00 C ATOM 340 O GLU A 23 3.141 -5.104 8.929 1.00 0.00 O ATOM 341 CB GLU A 23 1.833 -7.030 6.539 1.00 0.00 C ATOM 342 CG GLU A 23 2.029 -8.058 7.656 1.00 0.00 C ATOM 343 CD GLU A 23 0.704 -8.769 7.934 1.00 0.00 C ATOM 344 OE1 GLU A 23 -0.045 -8.281 8.766 1.00 0.00 O ATOM 345 OE2 GLU A 23 0.458 -9.787 7.310 1.00 0.00 O ATOM 0 H GLU A 23 1.098 -5.283 5.108 1.00 0.00 H new ATOM 0 HA GLU A 23 0.911 -5.650 7.940 1.00 0.00 H new ATOM 0 HB2 GLU A 23 0.964 -7.295 5.937 1.00 0.00 H new ATOM 0 HB3 GLU A 23 2.696 -7.035 5.873 1.00 0.00 H new ATOM 0 HG2 GLU A 23 2.790 -8.784 7.367 1.00 0.00 H new ATOM 0 HG3 GLU A 23 2.386 -7.565 8.560 1.00 0.00 H new ATOM 352 N GLN A 24 3.880 -4.723 6.895 1.00 0.00 N ATOM 353 CA GLN A 24 5.169 -4.205 7.427 1.00 0.00 C ATOM 354 C GLN A 24 4.900 -2.972 8.288 1.00 0.00 C ATOM 355 O GLN A 24 5.434 -2.824 9.370 1.00 0.00 O ATOM 356 CB GLN A 24 5.993 -3.837 6.188 1.00 0.00 C ATOM 357 CG GLN A 24 7.360 -3.287 6.606 1.00 0.00 C ATOM 358 CD GLN A 24 7.938 -4.129 7.743 1.00 0.00 C ATOM 359 OE1 GLN A 24 7.743 -5.328 7.789 1.00 0.00 O ATOM 360 NE2 GLN A 24 8.637 -3.543 8.672 1.00 0.00 N ATOM 0 H GLN A 24 3.793 -4.723 5.879 1.00 0.00 H new ATOM 0 HA GLN A 24 5.692 -4.929 8.051 1.00 0.00 H new ATOM 0 HB2 GLN A 24 6.124 -4.715 5.556 1.00 0.00 H new ATOM 0 HB3 GLN A 24 5.460 -3.094 5.595 1.00 0.00 H new ATOM 0 HG2 GLN A 24 8.040 -3.295 5.754 1.00 0.00 H new ATOM 0 HG3 GLN A 24 7.261 -2.249 6.925 1.00 0.00 H new ATOM 0 HE21 GLN A 24 8.799 -2.537 8.630 1.00 0.00 H new ATOM 0 HE22 GLN A 24 9.023 -4.090 9.441 1.00 0.00 H new ATOM 369 N LEU A 25 4.059 -2.093 7.821 1.00 0.00 N ATOM 370 CA LEU A 25 3.734 -0.880 8.605 1.00 0.00 C ATOM 371 C LEU A 25 2.952 -1.294 9.851 1.00 0.00 C ATOM 372 O LEU A 25 2.949 -0.601 10.848 1.00 0.00 O ATOM 373 CB LEU A 25 2.849 -0.063 7.670 1.00 0.00 C ATOM 374 CG LEU A 25 3.604 0.257 6.378 1.00 0.00 C ATOM 375 CD1 LEU A 25 2.776 1.214 5.522 1.00 0.00 C ATOM 376 CD2 LEU A 25 4.953 0.902 6.701 1.00 0.00 C ATOM 0 H LEU A 25 3.582 -2.167 6.923 1.00 0.00 H new ATOM 0 HA LEU A 25 4.611 -0.323 8.934 1.00 0.00 H new ATOM 0 HB2 LEU A 25 1.939 -0.618 7.441 1.00 0.00 H new ATOM 0 HB3 LEU A 25 2.544 0.861 8.161 1.00 0.00 H new ATOM 0 HG LEU A 25 3.774 -0.670 5.831 1.00 0.00 H new ATOM 0 HD11 LEU A 25 3.316 1.440 4.603 1.00 0.00 H new ATOM 0 HD12 LEU A 25 1.821 0.749 5.277 1.00 0.00 H new ATOM 0 HD13 LEU A 25 2.599 2.136 6.075 1.00 0.00 H new ATOM 0 HD21 LEU A 25 5.481 1.125 5.774 1.00 0.00 H new ATOM 0 HD22 LEU A 25 4.791 1.825 7.257 1.00 0.00 H new ATOM 0 HD23 LEU A 25 5.550 0.216 7.302 1.00 0.00 H new ATOM 388 N ASP A 26 2.273 -2.424 9.752 1.00 0.00 N ATOM 389 CA ASP A 26 1.425 -2.981 10.856 1.00 0.00 C ATOM 390 C ASP A 26 -0.023 -2.595 10.581 1.00 0.00 C ATOM 391 O ASP A 26 -0.784 -2.274 11.472 1.00 0.00 O ATOM 392 CB ASP A 26 1.918 -2.370 12.163 1.00 0.00 C ATOM 393 CG ASP A 26 1.357 -3.158 13.346 1.00 0.00 C ATOM 394 OD1 ASP A 26 0.782 -4.207 13.111 1.00 0.00 O ATOM 395 OD2 ASP A 26 1.516 -2.701 14.465 1.00 0.00 O ATOM 0 H ASP A 26 2.277 -3.002 8.912 1.00 0.00 H new ATOM 0 HA ASP A 26 1.490 -4.067 10.919 1.00 0.00 H new ATOM 0 HB2 ASP A 26 3.008 -2.380 12.192 1.00 0.00 H new ATOM 0 HB3 ASP A 26 1.607 -1.327 12.228 1.00 0.00 H new ATOM 475 N ALA A 32 -10.167 -1.780 2.201 1.00 0.00 N ATOM 476 CA ALA A 32 -9.352 -0.645 1.675 1.00 0.00 C ATOM 477 C ALA A 32 -8.843 -0.914 0.266 1.00 0.00 C ATOM 478 O ALA A 32 -8.873 -2.018 -0.238 1.00 0.00 O ATOM 479 CB ALA A 32 -8.144 -0.538 2.607 1.00 0.00 C ATOM 0 HA ALA A 32 -9.957 0.261 1.637 1.00 0.00 H new ATOM 0 HB1 ALA A 32 -7.501 0.278 2.277 1.00 0.00 H new ATOM 0 HB2 ALA A 32 -8.485 -0.344 3.624 1.00 0.00 H new ATOM 0 HB3 ALA A 32 -7.583 -1.473 2.585 1.00 0.00 H new ATOM 485 N ALA A 33 -8.332 0.115 -0.337 1.00 0.00 N ATOM 486 CA ALA A 33 -7.744 0.014 -1.695 1.00 0.00 C ATOM 487 C ALA A 33 -6.682 1.101 -1.793 1.00 0.00 C ATOM 488 O ALA A 33 -6.674 2.018 -0.998 1.00 0.00 O ATOM 489 CB ALA A 33 -8.892 0.261 -2.662 1.00 0.00 C ATOM 0 H ALA A 33 -8.296 1.051 0.068 1.00 0.00 H new ATOM 0 HA ALA A 33 -7.282 -0.948 -1.915 1.00 0.00 H new ATOM 0 HB1 ALA A 33 -8.524 0.200 -3.686 1.00 0.00 H new ATOM 0 HB2 ALA A 33 -9.665 -0.492 -2.509 1.00 0.00 H new ATOM 0 HB3 ALA A 33 -9.310 1.252 -2.485 1.00 0.00 H new ATOM 495 N LEU A 34 -5.757 1.017 -2.702 1.00 0.00 N ATOM 496 CA LEU A 34 -4.717 2.074 -2.716 1.00 0.00 C ATOM 497 C LEU A 34 -4.174 2.356 -4.124 1.00 0.00 C ATOM 498 O LEU A 34 -4.256 1.531 -5.011 1.00 0.00 O ATOM 499 CB LEU A 34 -3.634 1.531 -1.766 1.00 0.00 C ATOM 500 CG LEU A 34 -2.302 1.280 -2.503 1.00 0.00 C ATOM 501 CD1 LEU A 34 -1.223 0.821 -1.514 1.00 0.00 C ATOM 502 CD2 LEU A 34 -2.499 0.193 -3.563 1.00 0.00 C ATOM 0 H LEU A 34 -5.675 0.290 -3.412 1.00 0.00 H new ATOM 0 HA LEU A 34 -5.107 3.041 -2.397 1.00 0.00 H new ATOM 0 HB2 LEU A 34 -3.473 2.241 -0.955 1.00 0.00 H new ATOM 0 HB3 LEU A 34 -3.980 0.602 -1.313 1.00 0.00 H new ATOM 0 HG LEU A 34 -1.985 2.210 -2.975 1.00 0.00 H new ATOM 0 HD11 LEU A 34 -0.289 0.648 -2.049 1.00 0.00 H new ATOM 0 HD12 LEU A 34 -1.071 1.591 -0.758 1.00 0.00 H new ATOM 0 HD13 LEU A 34 -1.541 -0.103 -1.031 1.00 0.00 H new ATOM 0 HD21 LEU A 34 -1.557 0.017 -4.083 1.00 0.00 H new ATOM 0 HD22 LEU A 34 -2.826 -0.729 -3.082 1.00 0.00 H new ATOM 0 HD23 LEU A 34 -3.254 0.516 -4.280 1.00 0.00 H new ATOM 514 N ALA A 35 -3.595 3.516 -4.322 1.00 0.00 N ATOM 515 CA ALA A 35 -3.022 3.832 -5.657 1.00 0.00 C ATOM 516 C ALA A 35 -1.537 4.133 -5.508 1.00 0.00 C ATOM 517 O ALA A 35 -1.148 5.095 -4.880 1.00 0.00 O ATOM 518 CB ALA A 35 -3.778 5.065 -6.149 1.00 0.00 C ATOM 0 H ALA A 35 -3.497 4.249 -3.619 1.00 0.00 H new ATOM 0 HA ALA A 35 -3.121 3.005 -6.360 1.00 0.00 H new ATOM 0 HB1 ALA A 35 -3.404 5.353 -7.132 1.00 0.00 H new ATOM 0 HB2 ALA A 35 -4.841 4.836 -6.218 1.00 0.00 H new ATOM 0 HB3 ALA A 35 -3.628 5.887 -5.449 1.00 0.00 H new ATOM 524 N ILE A 36 -0.700 3.316 -6.068 1.00 0.00 N ATOM 525 CA ILE A 36 0.759 3.576 -5.930 1.00 0.00 C ATOM 526 C ILE A 36 1.299 4.232 -7.199 1.00 0.00 C ATOM 527 O ILE A 36 0.978 3.837 -8.293 1.00 0.00 O ATOM 528 CB ILE A 36 1.395 2.211 -5.710 1.00 0.00 C ATOM 529 CG1 ILE A 36 0.659 1.494 -4.574 1.00 0.00 C ATOM 530 CG2 ILE A 36 2.862 2.410 -5.328 1.00 0.00 C ATOM 531 CD1 ILE A 36 1.348 0.164 -4.266 1.00 0.00 C ATOM 0 H ILE A 36 -0.954 2.489 -6.609 1.00 0.00 H new ATOM 0 HA ILE A 36 0.980 4.255 -5.106 1.00 0.00 H new ATOM 0 HB ILE A 36 1.329 1.612 -6.618 1.00 0.00 H new ATOM 0 HG12 ILE A 36 0.647 2.122 -3.683 1.00 0.00 H new ATOM 0 HG13 ILE A 36 -0.380 1.319 -4.855 1.00 0.00 H new ATOM 0 HG21 ILE A 36 3.331 1.439 -5.167 1.00 0.00 H new ATOM 0 HG22 ILE A 36 3.379 2.934 -6.132 1.00 0.00 H new ATOM 0 HG23 ILE A 36 2.923 2.999 -4.413 1.00 0.00 H new ATOM 0 HD11 ILE A 36 0.820 -0.341 -3.457 1.00 0.00 H new ATOM 0 HD12 ILE A 36 1.337 -0.466 -5.155 1.00 0.00 H new ATOM 0 HD13 ILE A 36 2.379 0.349 -3.965 1.00 0.00 H new ATOM 543 N ASN A 37 2.103 5.243 -7.068 1.00 0.00 N ATOM 544 CA ASN A 37 2.631 5.917 -8.285 1.00 0.00 C ATOM 545 C ASN A 37 1.458 6.436 -9.129 1.00 0.00 C ATOM 546 O ASN A 37 1.592 6.672 -10.310 1.00 0.00 O ATOM 547 CB ASN A 37 3.424 4.845 -9.039 1.00 0.00 C ATOM 548 CG ASN A 37 4.445 4.203 -8.097 1.00 0.00 C ATOM 549 OD1 ASN A 37 4.274 3.079 -7.669 1.00 0.00 O ATOM 550 ND2 ASN A 37 5.506 4.879 -7.752 1.00 0.00 N ATOM 0 H ASN A 37 2.417 5.632 -6.179 1.00 0.00 H new ATOM 0 HA ASN A 37 3.263 6.773 -8.050 1.00 0.00 H new ATOM 0 HB2 ASN A 37 2.747 4.085 -9.430 1.00 0.00 H new ATOM 0 HB3 ASN A 37 3.933 5.289 -9.895 1.00 0.00 H new ATOM 0 HD21 ASN A 37 6.193 4.464 -7.122 1.00 0.00 H new ATOM 0 HD22 ASN A 37 5.649 5.823 -8.112 1.00 0.00 H new ATOM 557 N GLN A 38 0.315 6.614 -8.503 1.00 0.00 N ATOM 558 CA GLN A 38 -0.916 7.128 -9.199 1.00 0.00 C ATOM 559 C GLN A 38 -1.695 6.001 -9.870 1.00 0.00 C ATOM 560 O GLN A 38 -2.704 6.235 -10.507 1.00 0.00 O ATOM 561 CB GLN A 38 -0.450 8.205 -10.203 1.00 0.00 C ATOM 562 CG GLN A 38 -0.293 7.649 -11.632 1.00 0.00 C ATOM 563 CD GLN A 38 -1.135 8.494 -12.588 1.00 0.00 C ATOM 564 OE1 GLN A 38 -0.870 9.665 -12.773 1.00 0.00 O ATOM 565 NE2 GLN A 38 -2.148 7.952 -13.210 1.00 0.00 N ATOM 0 H GLN A 38 0.180 6.419 -7.511 1.00 0.00 H new ATOM 0 HA GLN A 38 -1.612 7.565 -8.483 1.00 0.00 H new ATOM 0 HB2 GLN A 38 -1.169 9.024 -10.212 1.00 0.00 H new ATOM 0 HB3 GLN A 38 0.502 8.620 -9.871 1.00 0.00 H new ATOM 0 HG2 GLN A 38 0.755 7.672 -11.932 1.00 0.00 H new ATOM 0 HG3 GLN A 38 -0.613 6.608 -11.668 1.00 0.00 H new ATOM 0 HE21 GLN A 38 -2.374 6.969 -13.057 1.00 0.00 H new ATOM 0 HE22 GLN A 38 -2.713 8.512 -13.848 1.00 0.00 H new ATOM 574 N GLN A 39 -1.279 4.778 -9.716 1.00 0.00 N ATOM 575 CA GLN A 39 -2.063 3.677 -10.334 1.00 0.00 C ATOM 576 C GLN A 39 -2.868 2.965 -9.252 1.00 0.00 C ATOM 577 O GLN A 39 -2.326 2.326 -8.371 1.00 0.00 O ATOM 578 CB GLN A 39 -1.063 2.716 -10.990 1.00 0.00 C ATOM 579 CG GLN A 39 -0.003 2.270 -9.992 1.00 0.00 C ATOM 580 CD GLN A 39 0.316 0.795 -10.229 1.00 0.00 C ATOM 581 OE1 GLN A 39 1.448 0.443 -10.493 1.00 0.00 O ATOM 582 NE2 GLN A 39 -0.641 -0.088 -10.157 1.00 0.00 N ATOM 0 H GLN A 39 -0.446 4.496 -9.199 1.00 0.00 H new ATOM 0 HA GLN A 39 -2.761 4.055 -11.081 1.00 0.00 H new ATOM 0 HB2 GLN A 39 -1.591 1.845 -11.379 1.00 0.00 H new ATOM 0 HB3 GLN A 39 -0.586 3.205 -11.839 1.00 0.00 H new ATOM 0 HG2 GLN A 39 0.898 2.873 -10.106 1.00 0.00 H new ATOM 0 HG3 GLN A 39 -0.360 2.419 -8.973 1.00 0.00 H new ATOM 0 HE21 GLN A 39 -1.592 0.207 -9.935 1.00 0.00 H new ATOM 0 HE22 GLN A 39 -0.439 -1.074 -10.322 1.00 0.00 H new ATOM 591 N ILE A 40 -4.161 3.075 -9.303 1.00 0.00 N ATOM 592 CA ILE A 40 -4.988 2.405 -8.263 1.00 0.00 C ATOM 593 C ILE A 40 -4.976 0.898 -8.487 1.00 0.00 C ATOM 594 O ILE A 40 -5.491 0.392 -9.463 1.00 0.00 O ATOM 595 CB ILE A 40 -6.408 2.945 -8.446 1.00 0.00 C ATOM 596 CG1 ILE A 40 -6.504 4.341 -7.837 1.00 0.00 C ATOM 597 CG2 ILE A 40 -7.406 2.014 -7.747 1.00 0.00 C ATOM 598 CD1 ILE A 40 -6.049 5.372 -8.868 1.00 0.00 C ATOM 0 H ILE A 40 -4.680 3.594 -10.011 1.00 0.00 H new ATOM 0 HA ILE A 40 -4.609 2.598 -7.259 1.00 0.00 H new ATOM 0 HB ILE A 40 -6.642 2.994 -9.509 1.00 0.00 H new ATOM 0 HG12 ILE A 40 -7.529 4.546 -7.528 1.00 0.00 H new ATOM 0 HG13 ILE A 40 -5.883 4.404 -6.943 1.00 0.00 H new ATOM 0 HG21 ILE A 40 -8.417 2.400 -7.878 1.00 0.00 H new ATOM 0 HG22 ILE A 40 -7.339 1.017 -8.182 1.00 0.00 H new ATOM 0 HG23 ILE A 40 -7.172 1.963 -6.684 1.00 0.00 H new ATOM 0 HD11 ILE A 40 -6.116 6.371 -8.437 1.00 0.00 H new ATOM 0 HD12 ILE A 40 -5.017 5.169 -9.155 1.00 0.00 H new ATOM 0 HD13 ILE A 40 -6.689 5.313 -9.749 1.00 0.00 H new ATOM 610 N VAL A 41 -4.392 0.184 -7.571 1.00 0.00 N ATOM 611 CA VAL A 41 -4.338 -1.291 -7.698 1.00 0.00 C ATOM 612 C VAL A 41 -5.382 -1.923 -6.826 1.00 0.00 C ATOM 613 O VAL A 41 -5.699 -1.423 -5.765 1.00 0.00 O ATOM 614 CB VAL A 41 -2.989 -1.702 -7.155 1.00 0.00 C ATOM 615 CG1 VAL A 41 -2.800 -3.198 -7.388 1.00 0.00 C ATOM 616 CG2 VAL A 41 -1.898 -0.930 -7.878 1.00 0.00 C ATOM 0 H VAL A 41 -3.947 0.563 -6.735 1.00 0.00 H new ATOM 0 HA VAL A 41 -4.499 -1.596 -8.732 1.00 0.00 H new ATOM 0 HB VAL A 41 -2.934 -1.486 -6.088 1.00 0.00 H new ATOM 0 HG11 VAL A 41 -1.829 -3.507 -7.000 1.00 0.00 H new ATOM 0 HG12 VAL A 41 -3.588 -3.749 -6.874 1.00 0.00 H new ATOM 0 HG13 VAL A 41 -2.848 -3.409 -8.456 1.00 0.00 H new ATOM 0 HG21 VAL A 41 -0.924 -1.225 -7.488 1.00 0.00 H new ATOM 0 HG22 VAL A 41 -1.943 -1.149 -8.945 1.00 0.00 H new ATOM 0 HG23 VAL A 41 -2.043 0.139 -7.721 1.00 0.00 H new ATOM 626 N PRO A 42 -5.860 -3.028 -7.270 1.00 0.00 N ATOM 627 CA PRO A 42 -6.833 -3.742 -6.474 1.00 0.00 C ATOM 628 C PRO A 42 -6.148 -4.529 -5.374 1.00 0.00 C ATOM 629 O PRO A 42 -5.222 -5.281 -5.603 1.00 0.00 O ATOM 630 CB PRO A 42 -7.516 -4.642 -7.458 1.00 0.00 C ATOM 631 CG PRO A 42 -6.564 -4.822 -8.598 1.00 0.00 C ATOM 632 CD PRO A 42 -5.554 -3.708 -8.532 1.00 0.00 C ATOM 0 HA PRO A 42 -7.537 -3.083 -5.967 1.00 0.00 H new ATOM 0 HB2 PRO A 42 -7.761 -5.601 -7.002 1.00 0.00 H new ATOM 0 HB3 PRO A 42 -8.453 -4.203 -7.800 1.00 0.00 H new ATOM 0 HG2 PRO A 42 -6.069 -5.791 -8.533 1.00 0.00 H new ATOM 0 HG3 PRO A 42 -7.097 -4.799 -9.549 1.00 0.00 H new ATOM 0 HD2 PRO A 42 -4.534 -4.093 -8.541 1.00 0.00 H new ATOM 0 HD3 PRO A 42 -5.648 -3.033 -9.383 1.00 0.00 H new ATOM 640 N ARG A 43 -6.611 -4.323 -4.190 1.00 0.00 N ATOM 641 CA ARG A 43 -6.042 -5.011 -2.984 1.00 0.00 C ATOM 642 C ARG A 43 -5.401 -6.337 -3.346 1.00 0.00 C ATOM 643 O ARG A 43 -4.315 -6.666 -2.919 1.00 0.00 O ATOM 644 CB ARG A 43 -7.230 -5.300 -2.070 1.00 0.00 C ATOM 645 CG ARG A 43 -8.447 -5.757 -2.876 1.00 0.00 C ATOM 646 CD ARG A 43 -9.691 -5.675 -1.989 1.00 0.00 C ATOM 647 NE ARG A 43 -10.715 -5.001 -2.833 1.00 0.00 N ATOM 648 CZ ARG A 43 -11.057 -3.768 -2.579 1.00 0.00 C ATOM 649 NH1 ARG A 43 -11.744 -3.494 -1.507 1.00 0.00 N ATOM 650 NH2 ARG A 43 -10.710 -2.808 -3.392 1.00 0.00 N ATOM 0 H ARG A 43 -7.384 -3.690 -3.985 1.00 0.00 H new ATOM 0 HA ARG A 43 -5.279 -4.383 -2.524 1.00 0.00 H new ATOM 0 HB2 ARG A 43 -6.958 -6.070 -1.348 1.00 0.00 H new ATOM 0 HB3 ARG A 43 -7.482 -4.405 -1.502 1.00 0.00 H new ATOM 0 HG2 ARG A 43 -8.572 -5.129 -3.758 1.00 0.00 H new ATOM 0 HG3 ARG A 43 -8.303 -6.778 -3.229 1.00 0.00 H new ATOM 0 HD2 ARG A 43 -10.023 -6.666 -1.680 1.00 0.00 H new ATOM 0 HD3 ARG A 43 -9.492 -5.108 -1.080 1.00 0.00 H new ATOM 0 HE ARG A 43 -11.148 -5.502 -3.608 1.00 0.00 H new ATOM 0 HH11 ARG A 43 -12.013 -4.243 -0.869 1.00 0.00 H new ATOM 0 HH12 ARG A 43 -12.013 -2.531 -1.306 1.00 0.00 H new ATOM 0 HH21 ARG A 43 -10.169 -3.020 -4.230 1.00 0.00 H new ATOM 0 HH22 ARG A 43 -10.980 -1.845 -3.189 1.00 0.00 H new ATOM 664 N GLU A 44 -6.089 -7.103 -4.115 1.00 0.00 N ATOM 665 CA GLU A 44 -5.578 -8.427 -4.515 1.00 0.00 C ATOM 666 C GLU A 44 -4.097 -8.358 -4.897 1.00 0.00 C ATOM 667 O GLU A 44 -3.280 -9.084 -4.373 1.00 0.00 O ATOM 668 CB GLU A 44 -6.456 -8.754 -5.705 1.00 0.00 C ATOM 669 CG GLU A 44 -5.841 -9.887 -6.537 1.00 0.00 C ATOM 670 CD GLU A 44 -6.654 -11.166 -6.339 1.00 0.00 C ATOM 671 OE1 GLU A 44 -7.849 -11.128 -6.581 1.00 0.00 O ATOM 672 OE2 GLU A 44 -6.067 -12.162 -5.952 1.00 0.00 O ATOM 0 H GLU A 44 -7.006 -6.866 -4.494 1.00 0.00 H new ATOM 0 HA GLU A 44 -5.620 -9.178 -3.726 1.00 0.00 H new ATOM 0 HB2 GLU A 44 -7.449 -9.046 -5.362 1.00 0.00 H new ATOM 0 HB3 GLU A 44 -6.581 -7.867 -6.326 1.00 0.00 H new ATOM 0 HG2 GLU A 44 -5.828 -9.612 -7.592 1.00 0.00 H new ATOM 0 HG3 GLU A 44 -4.806 -10.052 -6.237 1.00 0.00 H new ATOM 679 N GLN A 45 -3.749 -7.509 -5.814 1.00 0.00 N ATOM 680 CA GLN A 45 -2.320 -7.422 -6.236 1.00 0.00 C ATOM 681 C GLN A 45 -1.406 -7.053 -5.066 1.00 0.00 C ATOM 682 O GLN A 45 -0.235 -7.375 -5.077 1.00 0.00 O ATOM 683 CB GLN A 45 -2.273 -6.330 -7.301 1.00 0.00 C ATOM 684 CG GLN A 45 -2.902 -6.836 -8.600 1.00 0.00 C ATOM 685 CD GLN A 45 -2.488 -5.915 -9.751 1.00 0.00 C ATOM 686 OE1 GLN A 45 -3.320 -5.273 -10.360 1.00 0.00 O ATOM 687 NE2 GLN A 45 -1.226 -5.821 -10.073 1.00 0.00 N ATOM 0 H GLN A 45 -4.385 -6.871 -6.292 1.00 0.00 H new ATOM 0 HA GLN A 45 -1.968 -8.383 -6.610 1.00 0.00 H new ATOM 0 HB2 GLN A 45 -2.805 -5.446 -6.950 1.00 0.00 H new ATOM 0 HB3 GLN A 45 -1.241 -6.030 -7.480 1.00 0.00 H new ATOM 0 HG2 GLN A 45 -2.579 -7.857 -8.801 1.00 0.00 H new ATOM 0 HG3 GLN A 45 -3.988 -6.858 -8.508 1.00 0.00 H new ATOM 0 HE21 GLN A 45 -0.528 -6.360 -9.561 1.00 0.00 H new ATOM 0 HE22 GLN A 45 -0.939 -5.208 -10.836 1.00 0.00 H new ATOM 696 N TRP A 46 -1.905 -6.377 -4.064 1.00 0.00 N ATOM 697 CA TRP A 46 -1.029 -6.007 -2.932 1.00 0.00 C ATOM 698 C TRP A 46 -0.140 -7.181 -2.543 1.00 0.00 C ATOM 699 O TRP A 46 0.972 -7.013 -2.080 1.00 0.00 O ATOM 700 CB TRP A 46 -1.980 -5.694 -1.779 1.00 0.00 C ATOM 701 CG TRP A 46 -2.750 -4.441 -2.055 1.00 0.00 C ATOM 702 CD1 TRP A 46 -2.865 -3.835 -3.259 1.00 0.00 C ATOM 703 CD2 TRP A 46 -3.521 -3.639 -1.118 1.00 0.00 C ATOM 704 NE1 TRP A 46 -3.658 -2.706 -3.115 1.00 0.00 N ATOM 705 CE2 TRP A 46 -4.086 -2.544 -1.810 1.00 0.00 C ATOM 706 CE3 TRP A 46 -3.777 -3.758 0.256 1.00 0.00 C ATOM 707 CZ2 TRP A 46 -4.882 -1.600 -1.153 1.00 0.00 C ATOM 708 CZ3 TRP A 46 -4.579 -2.810 0.917 1.00 0.00 C ATOM 709 CH2 TRP A 46 -5.129 -1.733 0.209 1.00 0.00 C ATOM 0 H TRP A 46 -2.875 -6.071 -3.987 1.00 0.00 H new ATOM 0 HA TRP A 46 -0.380 -5.168 -3.184 1.00 0.00 H new ATOM 0 HB2 TRP A 46 -2.669 -6.526 -1.633 1.00 0.00 H new ATOM 0 HB3 TRP A 46 -1.414 -5.583 -0.854 1.00 0.00 H new ATOM 0 HD1 TRP A 46 -2.414 -4.174 -4.180 1.00 0.00 H new ATOM 0 HE1 TRP A 46 -3.896 -2.073 -3.878 1.00 0.00 H new ATOM 0 HE3 TRP A 46 -3.355 -4.583 0.810 1.00 0.00 H new ATOM 0 HZ2 TRP A 46 -5.303 -0.771 -1.702 1.00 0.00 H new ATOM 0 HZ3 TRP A 46 -4.772 -2.913 1.975 1.00 0.00 H new ATOM 0 HH2 TRP A 46 -5.744 -1.007 0.720 1.00 0.00 H new ATOM 720 N ALA A 47 -0.636 -8.364 -2.715 1.00 0.00 N ATOM 721 CA ALA A 47 0.144 -9.569 -2.346 1.00 0.00 C ATOM 722 C ALA A 47 1.193 -9.905 -3.405 1.00 0.00 C ATOM 723 O ALA A 47 2.102 -10.673 -3.162 1.00 0.00 O ATOM 724 CB ALA A 47 -0.902 -10.660 -2.281 1.00 0.00 C ATOM 0 H ALA A 47 -1.561 -8.552 -3.101 1.00 0.00 H new ATOM 0 HA ALA A 47 0.694 -9.436 -1.415 1.00 0.00 H new ATOM 0 HB1 ALA A 47 -0.427 -11.604 -2.013 1.00 0.00 H new ATOM 0 HB2 ALA A 47 -1.649 -10.403 -1.530 1.00 0.00 H new ATOM 0 HB3 ALA A 47 -1.384 -10.760 -3.253 1.00 0.00 H new ATOM 730 N GLN A 48 1.090 -9.336 -4.572 1.00 0.00 N ATOM 731 CA GLN A 48 2.102 -9.630 -5.624 1.00 0.00 C ATOM 732 C GLN A 48 2.608 -8.316 -6.206 1.00 0.00 C ATOM 733 O GLN A 48 3.162 -8.266 -7.285 1.00 0.00 O ATOM 734 CB GLN A 48 1.376 -10.457 -6.690 1.00 0.00 C ATOM 735 CG GLN A 48 0.105 -9.731 -7.141 1.00 0.00 C ATOM 736 CD GLN A 48 -0.346 -10.291 -8.490 1.00 0.00 C ATOM 737 OE1 GLN A 48 -0.680 -9.547 -9.395 1.00 0.00 O ATOM 738 NE2 GLN A 48 -0.366 -11.582 -8.665 1.00 0.00 N ATOM 0 H GLN A 48 0.354 -8.684 -4.843 1.00 0.00 H new ATOM 0 HA GLN A 48 2.962 -10.175 -5.235 1.00 0.00 H new ATOM 0 HB2 GLN A 48 2.033 -10.622 -7.544 1.00 0.00 H new ATOM 0 HB3 GLN A 48 1.121 -11.438 -6.290 1.00 0.00 H new ATOM 0 HG2 GLN A 48 -0.683 -9.859 -6.399 1.00 0.00 H new ATOM 0 HG3 GLN A 48 0.294 -8.661 -7.224 1.00 0.00 H new ATOM 0 HE21 GLN A 48 -0.086 -12.204 -7.906 1.00 0.00 H new ATOM 0 HE22 GLN A 48 -0.662 -11.971 -9.561 1.00 0.00 H new ATOM 747 N HIS A 49 2.401 -7.249 -5.492 1.00 0.00 N ATOM 748 CA HIS A 49 2.843 -5.921 -5.979 1.00 0.00 C ATOM 749 C HIS A 49 4.045 -5.436 -5.161 1.00 0.00 C ATOM 750 O HIS A 49 3.911 -4.638 -4.255 1.00 0.00 O ATOM 751 CB HIS A 49 1.619 -5.037 -5.764 1.00 0.00 C ATOM 752 CG HIS A 49 1.699 -3.835 -6.665 1.00 0.00 C ATOM 753 ND1 HIS A 49 0.787 -3.617 -7.687 1.00 0.00 N ATOM 754 CD2 HIS A 49 2.581 -2.783 -6.721 1.00 0.00 C ATOM 755 CE1 HIS A 49 1.137 -2.477 -8.308 1.00 0.00 C ATOM 756 NE2 HIS A 49 2.223 -1.927 -7.758 1.00 0.00 N ATOM 0 H HIS A 49 1.939 -7.242 -4.582 1.00 0.00 H new ATOM 0 HA HIS A 49 3.171 -5.921 -7.018 1.00 0.00 H new ATOM 0 HB2 HIS A 49 0.710 -5.601 -5.973 1.00 0.00 H new ATOM 0 HB3 HIS A 49 1.565 -4.720 -4.722 1.00 0.00 H new ATOM 0 HD2 HIS A 49 3.424 -2.642 -6.061 1.00 0.00 H new ATOM 0 HE1 HIS A 49 0.605 -2.057 -9.149 1.00 0.00 H new ATOM 0 HE2 HIS A 49 2.690 -1.064 -8.038 1.00 0.00 H new ATOM 764 N ILE A 50 5.221 -5.923 -5.477 1.00 0.00 N ATOM 765 CA ILE A 50 6.439 -5.516 -4.724 1.00 0.00 C ATOM 766 C ILE A 50 6.553 -3.993 -4.674 1.00 0.00 C ATOM 767 O ILE A 50 6.444 -3.308 -5.668 1.00 0.00 O ATOM 768 CB ILE A 50 7.620 -6.098 -5.498 1.00 0.00 C ATOM 769 CG1 ILE A 50 7.615 -7.623 -5.395 1.00 0.00 C ATOM 770 CG2 ILE A 50 8.920 -5.559 -4.906 1.00 0.00 C ATOM 771 CD1 ILE A 50 7.847 -8.046 -3.944 1.00 0.00 C ATOM 0 H ILE A 50 5.386 -6.590 -6.231 1.00 0.00 H new ATOM 0 HA ILE A 50 6.408 -5.875 -3.695 1.00 0.00 H new ATOM 0 HB ILE A 50 7.538 -5.811 -6.546 1.00 0.00 H new ATOM 0 HG12 ILE A 50 6.663 -8.017 -5.750 1.00 0.00 H new ATOM 0 HG13 ILE A 50 8.392 -8.042 -6.034 1.00 0.00 H new ATOM 0 HG21 ILE A 50 9.768 -5.971 -5.454 1.00 0.00 H new ATOM 0 HG22 ILE A 50 8.932 -4.472 -4.983 1.00 0.00 H new ATOM 0 HG23 ILE A 50 8.990 -5.849 -3.858 1.00 0.00 H new ATOM 0 HD11 ILE A 50 7.842 -9.134 -3.877 1.00 0.00 H new ATOM 0 HD12 ILE A 50 8.810 -7.666 -3.604 1.00 0.00 H new ATOM 0 HD13 ILE A 50 7.054 -7.640 -3.316 1.00 0.00 H new ATOM 783 N VAL A 51 6.751 -3.479 -3.502 1.00 0.00 N ATOM 784 CA VAL A 51 6.857 -2.005 -3.301 1.00 0.00 C ATOM 785 C VAL A 51 8.323 -1.550 -3.410 1.00 0.00 C ATOM 786 O VAL A 51 9.231 -2.298 -3.114 1.00 0.00 O ATOM 787 CB VAL A 51 6.317 -1.802 -1.892 1.00 0.00 C ATOM 788 CG1 VAL A 51 6.057 -0.327 -1.658 1.00 0.00 C ATOM 789 CG2 VAL A 51 5.002 -2.571 -1.717 1.00 0.00 C ATOM 0 H VAL A 51 6.847 -4.029 -2.648 1.00 0.00 H new ATOM 0 HA VAL A 51 6.312 -1.426 -4.046 1.00 0.00 H new ATOM 0 HB VAL A 51 7.052 -2.170 -1.176 1.00 0.00 H new ATOM 0 HG11 VAL A 51 5.670 -0.181 -0.649 1.00 0.00 H new ATOM 0 HG12 VAL A 51 6.987 0.229 -1.774 1.00 0.00 H new ATOM 0 HG13 VAL A 51 5.326 0.033 -2.382 1.00 0.00 H new ATOM 0 HG21 VAL A 51 4.624 -2.420 -0.706 1.00 0.00 H new ATOM 0 HG22 VAL A 51 4.269 -2.207 -2.437 1.00 0.00 H new ATOM 0 HG23 VAL A 51 5.177 -3.634 -1.883 1.00 0.00 H new ATOM 799 N GLN A 52 8.565 -0.347 -3.879 1.00 0.00 N ATOM 800 CA GLN A 52 9.982 0.114 -4.052 1.00 0.00 C ATOM 801 C GLN A 52 10.407 1.232 -3.097 1.00 0.00 C ATOM 802 O GLN A 52 9.622 2.058 -2.673 1.00 0.00 O ATOM 803 CB GLN A 52 10.024 0.689 -5.454 1.00 0.00 C ATOM 804 CG GLN A 52 9.734 -0.406 -6.482 1.00 0.00 C ATOM 805 CD GLN A 52 8.238 -0.429 -6.796 1.00 0.00 C ATOM 806 OE1 GLN A 52 7.525 0.506 -6.485 1.00 0.00 O ATOM 807 NE2 GLN A 52 7.725 -1.466 -7.400 1.00 0.00 N ATOM 0 H GLN A 52 7.851 0.330 -4.147 1.00 0.00 H new ATOM 0 HA GLN A 52 10.650 -0.725 -3.858 1.00 0.00 H new ATOM 0 HB2 GLN A 52 9.291 1.490 -5.549 1.00 0.00 H new ATOM 0 HB3 GLN A 52 11.003 1.128 -5.646 1.00 0.00 H new ATOM 0 HG2 GLN A 52 10.305 -0.225 -7.393 1.00 0.00 H new ATOM 0 HG3 GLN A 52 10.050 -1.375 -6.096 1.00 0.00 H new ATOM 0 HE21 GLN A 52 8.322 -2.251 -7.661 1.00 0.00 H new ATOM 0 HE22 GLN A 52 6.727 -1.492 -7.611 1.00 0.00 H new ATOM 816 N ASP A 53 11.684 1.284 -2.825 1.00 0.00 N ATOM 817 CA ASP A 53 12.244 2.361 -1.968 1.00 0.00 C ATOM 818 C ASP A 53 11.858 3.706 -2.545 1.00 0.00 C ATOM 819 O ASP A 53 12.267 4.104 -3.618 1.00 0.00 O ATOM 820 CB ASP A 53 13.749 2.149 -2.001 1.00 0.00 C ATOM 821 CG ASP A 53 14.471 3.428 -1.572 1.00 0.00 C ATOM 822 OD1 ASP A 53 13.855 4.233 -0.893 1.00 0.00 O ATOM 823 OD2 ASP A 53 15.628 3.580 -1.928 1.00 0.00 O ATOM 0 H ASP A 53 12.371 0.613 -3.168 1.00 0.00 H new ATOM 0 HA ASP A 53 11.870 2.336 -0.945 1.00 0.00 H new ATOM 0 HB2 ASP A 53 14.023 1.328 -1.338 1.00 0.00 H new ATOM 0 HB3 ASP A 53 14.062 1.865 -3.006 1.00 0.00 H new ATOM 828 N GLY A 54 11.013 4.364 -1.844 1.00 0.00 N ATOM 829 CA GLY A 54 10.476 5.667 -2.307 1.00 0.00 C ATOM 830 C GLY A 54 9.030 5.404 -2.709 1.00 0.00 C ATOM 831 O GLY A 54 8.371 6.219 -3.326 1.00 0.00 O ATOM 0 H GLY A 54 10.654 4.054 -0.941 1.00 0.00 H new ATOM 0 HA2 GLY A 54 10.532 6.415 -1.517 1.00 0.00 H new ATOM 0 HA3 GLY A 54 11.052 6.050 -3.149 1.00 0.00 H new ATOM 835 N ASP A 55 8.554 4.229 -2.374 1.00 0.00 N ATOM 836 CA ASP A 55 7.170 3.827 -2.729 1.00 0.00 C ATOM 837 C ASP A 55 6.145 4.935 -2.458 1.00 0.00 C ATOM 838 O ASP A 55 6.199 5.631 -1.473 1.00 0.00 O ATOM 839 CB ASP A 55 6.879 2.629 -1.832 1.00 0.00 C ATOM 840 CG ASP A 55 5.371 2.354 -1.820 1.00 0.00 C ATOM 841 OD1 ASP A 55 4.902 1.705 -2.741 1.00 0.00 O ATOM 842 OD2 ASP A 55 4.715 2.799 -0.895 1.00 0.00 O ATOM 0 H ASP A 55 9.082 3.523 -1.860 1.00 0.00 H new ATOM 0 HA ASP A 55 7.092 3.607 -3.794 1.00 0.00 H new ATOM 0 HB2 ASP A 55 7.417 1.752 -2.193 1.00 0.00 H new ATOM 0 HB3 ASP A 55 7.232 2.825 -0.819 1.00 0.00 H new ATOM 847 N GLN A 56 5.180 5.062 -3.312 1.00 0.00 N ATOM 848 CA GLN A 56 4.115 6.074 -3.087 1.00 0.00 C ATOM 849 C GLN A 56 2.777 5.344 -3.071 1.00 0.00 C ATOM 850 O GLN A 56 2.558 4.433 -3.836 1.00 0.00 O ATOM 851 CB GLN A 56 4.239 7.042 -4.267 1.00 0.00 C ATOM 852 CG GLN A 56 2.937 7.821 -4.446 1.00 0.00 C ATOM 853 CD GLN A 56 3.084 9.221 -3.844 1.00 0.00 C ATOM 854 OE1 GLN A 56 4.176 9.642 -3.513 1.00 0.00 O ATOM 855 NE2 GLN A 56 2.024 9.966 -3.690 1.00 0.00 N ATOM 0 H GLN A 56 5.079 4.507 -4.162 1.00 0.00 H new ATOM 0 HA GLN A 56 4.198 6.619 -2.146 1.00 0.00 H new ATOM 0 HB2 GLN A 56 5.065 7.733 -4.096 1.00 0.00 H new ATOM 0 HB3 GLN A 56 4.470 6.490 -5.178 1.00 0.00 H new ATOM 0 HG2 GLN A 56 2.689 7.895 -5.505 1.00 0.00 H new ATOM 0 HG3 GLN A 56 2.116 7.291 -3.962 1.00 0.00 H new ATOM 0 HE21 GLN A 56 1.108 9.613 -3.967 1.00 0.00 H new ATOM 0 HE22 GLN A 56 2.111 10.901 -3.292 1.00 0.00 H new ATOM 864 N ILE A 57 1.890 5.703 -2.192 1.00 0.00 N ATOM 865 CA ILE A 57 0.588 4.985 -2.132 1.00 0.00 C ATOM 866 C ILE A 57 -0.584 5.946 -1.947 1.00 0.00 C ATOM 867 O ILE A 57 -0.497 6.927 -1.234 1.00 0.00 O ATOM 868 CB ILE A 57 0.681 4.104 -0.892 1.00 0.00 C ATOM 869 CG1 ILE A 57 1.675 2.970 -1.107 1.00 0.00 C ATOM 870 CG2 ILE A 57 -0.694 3.514 -0.583 1.00 0.00 C ATOM 871 CD1 ILE A 57 1.813 2.210 0.209 1.00 0.00 C ATOM 0 H ILE A 57 2.007 6.457 -1.515 1.00 0.00 H new ATOM 0 HA ILE A 57 0.414 4.434 -3.056 1.00 0.00 H new ATOM 0 HB ILE A 57 1.023 4.717 -0.058 1.00 0.00 H new ATOM 0 HG12 ILE A 57 1.329 2.304 -1.897 1.00 0.00 H new ATOM 0 HG13 ILE A 57 2.641 3.364 -1.423 1.00 0.00 H new ATOM 0 HG21 ILE A 57 -0.629 2.884 0.304 1.00 0.00 H new ATOM 0 HG22 ILE A 57 -1.404 4.321 -0.403 1.00 0.00 H new ATOM 0 HG23 ILE A 57 -1.032 2.916 -1.429 1.00 0.00 H new ATOM 0 HD11 ILE A 57 2.521 1.390 0.083 1.00 0.00 H new ATOM 0 HD12 ILE A 57 2.175 2.886 0.984 1.00 0.00 H new ATOM 0 HD13 ILE A 57 0.842 1.810 0.501 1.00 0.00 H new ATOM 883 N LEU A 58 -1.696 5.623 -2.532 1.00 0.00 N ATOM 884 CA LEU A 58 -2.911 6.454 -2.349 1.00 0.00 C ATOM 885 C LEU A 58 -3.911 5.592 -1.587 1.00 0.00 C ATOM 886 O LEU A 58 -4.197 4.501 -1.996 1.00 0.00 O ATOM 887 CB LEU A 58 -3.405 6.788 -3.756 1.00 0.00 C ATOM 888 CG LEU A 58 -4.061 8.173 -3.748 1.00 0.00 C ATOM 889 CD1 LEU A 58 -4.043 8.759 -5.162 1.00 0.00 C ATOM 890 CD2 LEU A 58 -5.508 8.049 -3.264 1.00 0.00 C ATOM 0 H LEU A 58 -1.817 4.810 -3.136 1.00 0.00 H new ATOM 0 HA LEU A 58 -2.748 7.378 -1.795 1.00 0.00 H new ATOM 0 HB2 LEU A 58 -2.573 6.772 -4.459 1.00 0.00 H new ATOM 0 HB3 LEU A 58 -4.120 6.036 -4.091 1.00 0.00 H new ATOM 0 HG LEU A 58 -3.508 8.831 -3.078 1.00 0.00 H new ATOM 0 HD11 LEU A 58 -4.510 9.744 -5.154 1.00 0.00 H new ATOM 0 HD12 LEU A 58 -3.012 8.849 -5.505 1.00 0.00 H new ATOM 0 HD13 LEU A 58 -4.594 8.102 -5.835 1.00 0.00 H new ATOM 0 HD21 LEU A 58 -5.975 9.034 -3.258 1.00 0.00 H new ATOM 0 HD22 LEU A 58 -6.060 7.389 -3.933 1.00 0.00 H new ATOM 0 HD23 LEU A 58 -5.520 7.635 -2.256 1.00 0.00 H new ATOM 902 N LEU A 59 -4.400 6.022 -0.459 1.00 0.00 N ATOM 903 CA LEU A 59 -5.325 5.131 0.310 1.00 0.00 C ATOM 904 C LEU A 59 -6.793 5.440 0.030 1.00 0.00 C ATOM 905 O LEU A 59 -7.233 6.573 0.068 1.00 0.00 O ATOM 906 CB LEU A 59 -5.006 5.395 1.781 1.00 0.00 C ATOM 907 CG LEU A 59 -5.827 4.448 2.666 1.00 0.00 C ATOM 908 CD1 LEU A 59 -5.719 3.015 2.141 1.00 0.00 C ATOM 909 CD2 LEU A 59 -5.297 4.494 4.101 1.00 0.00 C ATOM 0 H LEU A 59 -4.208 6.931 -0.039 1.00 0.00 H new ATOM 0 HA LEU A 59 -5.180 4.089 0.025 1.00 0.00 H new ATOM 0 HB2 LEU A 59 -3.942 5.248 1.964 1.00 0.00 H new ATOM 0 HB3 LEU A 59 -5.233 6.431 2.032 1.00 0.00 H new ATOM 0 HG LEU A 59 -6.870 4.765 2.647 1.00 0.00 H new ATOM 0 HD11 LEU A 59 -6.305 2.350 2.775 1.00 0.00 H new ATOM 0 HD12 LEU A 59 -6.100 2.972 1.121 1.00 0.00 H new ATOM 0 HD13 LEU A 59 -4.675 2.701 2.152 1.00 0.00 H new ATOM 0 HD21 LEU A 59 -5.882 3.820 4.727 1.00 0.00 H new ATOM 0 HD22 LEU A 59 -4.252 4.184 4.113 1.00 0.00 H new ATOM 0 HD23 LEU A 59 -5.379 5.510 4.487 1.00 0.00 H new ATOM 921 N PHE A 60 -7.556 4.412 -0.220 1.00 0.00 N ATOM 922 CA PHE A 60 -9.007 4.583 -0.470 1.00 0.00 C ATOM 923 C PHE A 60 -9.760 3.937 0.687 1.00 0.00 C ATOM 924 O PHE A 60 -9.613 2.758 0.949 1.00 0.00 O ATOM 925 CB PHE A 60 -9.280 3.838 -1.776 1.00 0.00 C ATOM 926 CG PHE A 60 -8.530 4.504 -2.903 1.00 0.00 C ATOM 927 CD1 PHE A 60 -8.879 5.798 -3.298 1.00 0.00 C ATOM 928 CD2 PHE A 60 -7.489 3.829 -3.556 1.00 0.00 C ATOM 929 CE1 PHE A 60 -8.191 6.423 -4.344 1.00 0.00 C ATOM 930 CE2 PHE A 60 -6.800 4.453 -4.602 1.00 0.00 C ATOM 931 CZ PHE A 60 -7.151 5.750 -4.998 1.00 0.00 C ATOM 0 H PHE A 60 -7.226 3.448 -0.261 1.00 0.00 H new ATOM 0 HA PHE A 60 -9.318 5.625 -0.544 1.00 0.00 H new ATOM 0 HB2 PHE A 60 -8.970 2.797 -1.684 1.00 0.00 H new ATOM 0 HB3 PHE A 60 -10.349 3.835 -1.988 1.00 0.00 H new ATOM 0 HD1 PHE A 60 -9.681 6.317 -2.795 1.00 0.00 H new ATOM 0 HD2 PHE A 60 -7.219 2.828 -3.252 1.00 0.00 H new ATOM 0 HE1 PHE A 60 -8.462 7.424 -4.647 1.00 0.00 H new ATOM 0 HE2 PHE A 60 -5.997 3.934 -5.104 1.00 0.00 H new ATOM 0 HZ PHE A 60 -6.620 6.231 -5.807 1.00 0.00 H new