USER MOD reduce.3.24.130724 H: found=0, std=0, add=566, rem=0, adj=11 USER MOD reduce.3.24.130724 removed 565 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 46 TYR OH : rot 76:sc= 0.154 USER MOD Set 1.2: A 50 MET CE :methyl -175:sc= -0.182 (180deg=-0.228) USER MOD Set 2.1: A 15 THR OG1 : rot -76:sc= 0.629 USER MOD Set 2.2: A 42 GLN : amide:sc=-0.00252 K(o=0.63,f=-0.25) USER MOD Single : A 1 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 1 MET N :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 2 GLN : amide:sc= 0 X(o=0,f=-0.42) USER MOD Single : A 3 GLN : amide:sc= 0.588 K(o=0.59,f=-5.2!) USER MOD Single : A 4 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 5 GLN : amide:sc= -0.0356 X(o=-0.036,f=-0.41) USER MOD Single : A 6 GLN : amide:sc= -0.0028 X(o=-0.0028,f=-0.32) USER MOD Single : A 8 MET CE :methyl -132:sc= 0 (180deg=-0.000836) USER MOD Single : A 12 ASN : amide:sc= -0.0184 K(o=-0.018,f=-1.7) USER MOD Single : A 13 SER OG : rot 180:sc= 0 USER MOD Single : A 14 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 18 GLN : amide:sc= 0 K(o=0,f=-0.98) USER MOD Single : A 20 GLN : amide:sc= 0 X(o=0,f=-0.2) USER MOD Single : A 21 GLN : amide:sc= 0 X(o=0,f=-0.32) USER MOD Single : A 22 TYR OH : rot 180:sc= 0 USER MOD Single : A 25 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 26 GLN : amide:sc= -0.0901 X(o=-0.09,f=-0.11) USER MOD Single : A 27 TYR OH : rot 180:sc= 0 USER MOD Single : A 30 ASN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 31 TYR OH : rot 180:sc= 0 USER MOD Single : A 33 GLN : amide:sc= -0.0315 K(o=-0.031,f=-0.88) USER MOD Single : A 34 GLN : amide:sc= 0.762 K(o=0.76,f=-0.66) USER MOD Single : A 35 GLN : amide:sc=-0.00033 X(o=-0.00033,f=-0.012) USER MOD Single : A 40 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 44 GLN : amide:sc= 0 X(o=0,f=-0.2) USER MOD Single : A 45 HIS : no HE2:sc= 0.885 K(o=0.88,f=-2.7!) USER MOD Single : A 47 GLN : amide:sc= 0.0731 X(o=0.073,f=0) USER MOD Single : A 48 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 49 TYR OH : rot 180:sc= 0 USER MOD Single : A 51 GLN : amide:sc= -0.233 X(o=-0.23,f=-0.72) USER MOD Single : A 52 GLN : amide:sc= 0 K(o=0,f=-0.62) USER MOD Single : A 54 TYR OH : rot 180:sc= 0 USER MOD Single : A 55 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 57 GLN : amide:sc= 0 X(o=0,f=-0.0032) USER MOD Single : A 60 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 61 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 62 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 66 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 67 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 68 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 69 GLN : amide:sc= 0 X(o=0,f=-0.19) USER MOD ----------------------------------------------------------------- ATOM 1 N MET A 1 11.332 -5.636 -2.284 1.00 25.00 N ATOM 2 CA MET A 1 10.742 -4.728 -3.310 1.00 25.00 C ATOM 3 C MET A 1 9.277 -4.427 -3.075 1.00 25.00 C ATOM 4 O MET A 1 8.415 -5.270 -3.025 1.00 25.00 O ATOM 5 CB MET A 1 10.935 -5.350 -4.686 1.00 25.00 C ATOM 6 CG MET A 1 10.631 -4.341 -5.795 1.00 25.00 C ATOM 7 SD MET A 1 10.659 -5.081 -7.451 1.00 25.00 S ATOM 8 CE MET A 1 12.416 -5.540 -7.740 1.00 25.00 C ATOM 0 H1 MET A 1 12.335 -5.802 -2.503 1.00 25.00 H new ATOM 0 H2 MET A 1 11.250 -5.198 -1.344 1.00 25.00 H new ATOM 0 H3 MET A 1 10.822 -6.543 -2.289 1.00 25.00 H new ATOM 0 HA MET A 1 11.262 -3.773 -3.239 1.00 25.00 H new ATOM 0 HB2 MET A 1 11.960 -5.707 -4.786 1.00 25.00 H new ATOM 0 HB3 MET A 1 10.283 -6.217 -4.791 1.00 25.00 H new ATOM 0 HG2 MET A 1 9.651 -3.898 -5.617 1.00 25.00 H new ATOM 0 HG3 MET A 1 11.360 -3.531 -5.752 1.00 25.00 H new ATOM 0 HE1 MET A 1 12.516 -5.996 -8.725 1.00 25.00 H new ATOM 0 HE2 MET A 1 13.039 -4.647 -7.689 1.00 25.00 H new ATOM 0 HE3 MET A 1 12.737 -6.250 -6.978 1.00 25.00 H new ATOM 19 N GLN A 2 8.970 -3.126 -2.879 1.00 25.00 N ATOM 20 CA GLN A 2 7.623 -2.689 -2.658 1.00 25.00 C ATOM 21 C GLN A 2 6.770 -2.713 -3.926 1.00 25.00 C ATOM 22 O GLN A 2 7.268 -2.535 -5.037 1.00 25.00 O ATOM 23 CB GLN A 2 7.634 -1.249 -2.093 1.00 25.00 C ATOM 24 CG GLN A 2 8.388 -1.052 -0.791 1.00 25.00 C ATOM 25 CD GLN A 2 8.458 0.419 -0.395 1.00 25.00 C ATOM 26 OE1 GLN A 2 8.867 1.270 -1.195 1.00 25.00 O ATOM 27 NE2 GLN A 2 8.096 0.720 0.829 1.00 25.00 N ATOM 0 H GLN A 2 9.660 -2.375 -2.874 1.00 25.00 H new ATOM 0 HA GLN A 2 7.178 -3.388 -1.950 1.00 25.00 H new ATOM 0 HB2 GLN A 2 8.067 -0.588 -2.844 1.00 25.00 H new ATOM 0 HB3 GLN A 2 6.602 -0.930 -1.944 1.00 25.00 H new ATOM 0 HG2 GLN A 2 7.900 -1.619 0.001 1.00 25.00 H new ATOM 0 HG3 GLN A 2 9.398 -1.450 -0.892 1.00 25.00 H new ATOM 0 HE21 GLN A 2 7.764 -0.012 1.457 1.00 25.00 H new ATOM 0 HE22 GLN A 2 8.146 1.686 1.153 1.00 25.00 H new ATOM 36 N GLN A 3 5.473 -2.911 -3.746 1.00 25.00 N ATOM 37 CA GLN A 3 4.478 -2.989 -4.836 1.00 25.00 C ATOM 38 C GLN A 3 4.204 -1.655 -5.585 1.00 25.00 C ATOM 39 O GLN A 3 3.050 -1.296 -5.822 1.00 25.00 O ATOM 40 CB GLN A 3 3.155 -3.542 -4.268 1.00 25.00 C ATOM 41 CG GLN A 3 3.253 -4.925 -3.625 1.00 25.00 C ATOM 42 CD GLN A 3 3.399 -4.878 -2.103 1.00 25.00 C ATOM 43 OE1 GLN A 3 4.382 -4.372 -1.578 1.00 25.00 O ATOM 44 NE2 GLN A 3 2.443 -5.415 -1.402 1.00 25.00 N ATOM 0 H GLN A 3 5.060 -3.026 -2.820 1.00 25.00 H new ATOM 0 HA GLN A 3 4.911 -3.652 -5.585 1.00 25.00 H new ATOM 0 HB2 GLN A 3 2.774 -2.840 -3.526 1.00 25.00 H new ATOM 0 HB3 GLN A 3 2.421 -3.584 -5.073 1.00 25.00 H new ATOM 0 HG2 GLN A 3 2.363 -5.500 -3.880 1.00 25.00 H new ATOM 0 HG3 GLN A 3 4.106 -5.455 -4.048 1.00 25.00 H new ATOM 0 HE21 GLN A 3 1.637 -5.828 -1.871 1.00 25.00 H new ATOM 0 HE22 GLN A 3 2.500 -5.422 -0.384 1.00 25.00 H new ATOM 53 N LYS A 4 5.260 -0.959 -5.969 1.00 25.00 N ATOM 54 CA LYS A 4 5.148 0.334 -6.654 1.00 25.00 C ATOM 55 C LYS A 4 4.426 0.237 -7.976 1.00 25.00 C ATOM 56 O LYS A 4 3.663 1.119 -8.341 1.00 25.00 O ATOM 57 CB LYS A 4 6.538 0.914 -6.859 1.00 25.00 C ATOM 58 CG LYS A 4 7.214 1.329 -5.570 1.00 25.00 C ATOM 59 CD LYS A 4 8.535 2.032 -5.862 1.00 25.00 C ATOM 60 CE LYS A 4 9.209 2.466 -4.596 1.00 25.00 C ATOM 61 NZ LYS A 4 10.464 3.270 -4.877 1.00 25.00 N ATOM 0 H LYS A 4 6.221 -1.266 -5.819 1.00 25.00 H new ATOM 0 HA LYS A 4 4.551 0.990 -6.021 1.00 25.00 H new ATOM 0 HB2 LYS A 4 7.160 0.176 -7.365 1.00 25.00 H new ATOM 0 HB3 LYS A 4 6.469 1.779 -7.519 1.00 25.00 H new ATOM 0 HG2 LYS A 4 6.559 1.993 -5.006 1.00 25.00 H new ATOM 0 HG3 LYS A 4 7.392 0.452 -4.947 1.00 25.00 H new ATOM 0 HD2 LYS A 4 9.192 1.361 -6.416 1.00 25.00 H new ATOM 0 HD3 LYS A 4 8.356 2.899 -6.498 1.00 25.00 H new ATOM 0 HE2 LYS A 4 8.518 3.065 -4.003 1.00 25.00 H new ATOM 0 HE3 LYS A 4 9.464 1.590 -4.000 1.00 25.00 H new ATOM 0 HZ1 LYS A 4 10.903 3.553 -3.978 1.00 25.00 H new ATOM 0 HZ2 LYS A 4 11.133 2.690 -5.422 1.00 25.00 H new ATOM 0 HZ3 LYS A 4 10.217 4.119 -5.424 1.00 25.00 H new ATOM 75 N GLN A 5 4.628 -0.865 -8.700 1.00 25.00 N ATOM 76 CA GLN A 5 4.047 -1.033 -10.038 1.00 25.00 C ATOM 77 C GLN A 5 2.509 -1.007 -10.031 1.00 25.00 C ATOM 78 O GLN A 5 1.880 -0.597 -10.994 1.00 25.00 O ATOM 79 CB GLN A 5 4.518 -2.359 -10.665 1.00 25.00 C ATOM 80 CG GLN A 5 5.101 -2.241 -12.061 1.00 25.00 C ATOM 81 CD GLN A 5 4.106 -1.613 -13.032 1.00 25.00 C ATOM 82 OE1 GLN A 5 4.123 -0.419 -13.274 1.00 25.00 O ATOM 83 NE2 GLN A 5 3.228 -2.408 -13.573 1.00 25.00 N ATOM 0 H GLN A 5 5.189 -1.656 -8.384 1.00 25.00 H new ATOM 0 HA GLN A 5 4.394 -0.185 -10.629 1.00 25.00 H new ATOM 0 HB2 GLN A 5 5.268 -2.805 -10.012 1.00 25.00 H new ATOM 0 HB3 GLN A 5 3.673 -3.047 -10.698 1.00 25.00 H new ATOM 0 HG2 GLN A 5 6.008 -1.638 -12.028 1.00 25.00 H new ATOM 0 HG3 GLN A 5 5.388 -3.229 -12.421 1.00 25.00 H new ATOM 0 HE21 GLN A 5 3.237 -3.404 -13.352 1.00 25.00 H new ATOM 0 HE22 GLN A 5 2.531 -2.035 -14.218 1.00 25.00 H new ATOM 92 N GLN A 6 1.914 -1.436 -8.915 1.00 25.00 N ATOM 93 CA GLN A 6 0.465 -1.420 -8.772 1.00 25.00 C ATOM 94 C GLN A 6 -0.051 0.016 -8.817 1.00 25.00 C ATOM 95 O GLN A 6 -1.047 0.330 -9.460 1.00 25.00 O ATOM 96 CB GLN A 6 0.055 -2.070 -7.427 1.00 25.00 C ATOM 97 CG GLN A 6 0.463 -3.565 -7.288 1.00 25.00 C ATOM 98 CD GLN A 6 -0.264 -4.469 -8.255 1.00 25.00 C ATOM 99 OE1 GLN A 6 -1.451 -4.302 -8.503 1.00 25.00 O ATOM 100 NE2 GLN A 6 0.442 -5.423 -8.815 1.00 25.00 N ATOM 0 H GLN A 6 2.415 -1.796 -8.103 1.00 25.00 H new ATOM 0 HA GLN A 6 0.029 -1.987 -9.595 1.00 25.00 H new ATOM 0 HB2 GLN A 6 0.506 -1.505 -6.611 1.00 25.00 H new ATOM 0 HB3 GLN A 6 -1.026 -1.988 -7.312 1.00 25.00 H new ATOM 0 HG2 GLN A 6 1.537 -3.659 -7.449 1.00 25.00 H new ATOM 0 HG3 GLN A 6 0.263 -3.897 -6.269 1.00 25.00 H new ATOM 0 HE21 GLN A 6 1.429 -5.530 -8.583 1.00 25.00 H new ATOM 0 HE22 GLN A 6 0.003 -6.057 -9.483 1.00 25.00 H new ATOM 109 N ILE A 7 0.683 0.882 -8.152 1.00 25.00 N ATOM 110 CA ILE A 7 0.310 2.285 -8.062 1.00 25.00 C ATOM 111 C ILE A 7 0.487 2.934 -9.428 1.00 25.00 C ATOM 112 O ILE A 7 -0.362 3.709 -9.865 1.00 25.00 O ATOM 113 CB ILE A 7 1.166 3.018 -6.994 1.00 25.00 C ATOM 114 CG1 ILE A 7 1.139 2.233 -5.672 1.00 25.00 C ATOM 115 CG2 ILE A 7 0.635 4.468 -6.776 1.00 25.00 C ATOM 116 CD1 ILE A 7 2.245 2.627 -4.686 1.00 25.00 C ATOM 0 H ILE A 7 1.545 0.642 -7.663 1.00 25.00 H new ATOM 0 HA ILE A 7 -0.733 2.360 -7.756 1.00 25.00 H new ATOM 0 HB ILE A 7 2.196 3.078 -7.347 1.00 25.00 H new ATOM 0 HG12 ILE A 7 0.171 2.382 -5.194 1.00 25.00 H new ATOM 0 HG13 ILE A 7 1.226 1.169 -5.892 1.00 25.00 H new ATOM 0 HG21 ILE A 7 1.245 4.970 -6.025 1.00 25.00 H new ATOM 0 HG22 ILE A 7 0.689 5.020 -7.714 1.00 25.00 H new ATOM 0 HG23 ILE A 7 -0.400 4.429 -6.436 1.00 25.00 H new ATOM 0 HD11 ILE A 7 2.155 2.027 -3.780 1.00 25.00 H new ATOM 0 HD12 ILE A 7 3.219 2.451 -5.143 1.00 25.00 H new ATOM 0 HD13 ILE A 7 2.148 3.683 -4.433 1.00 25.00 H new ATOM 128 N MET A 8 1.540 2.573 -10.117 1.00 25.00 N ATOM 129 CA MET A 8 1.766 3.080 -11.464 1.00 25.00 C ATOM 130 C MET A 8 0.668 2.658 -12.421 1.00 25.00 C ATOM 131 O MET A 8 0.187 3.458 -13.201 1.00 25.00 O ATOM 132 CB MET A 8 3.117 2.598 -12.011 1.00 25.00 C ATOM 133 CG MET A 8 4.285 3.088 -11.234 1.00 25.00 C ATOM 134 SD MET A 8 5.869 2.480 -11.848 1.00 25.00 S ATOM 135 CE MET A 8 6.118 3.550 -13.289 1.00 25.00 C ATOM 0 H MET A 8 2.257 1.933 -9.777 1.00 25.00 H new ATOM 0 HA MET A 8 1.765 4.168 -11.391 1.00 25.00 H new ATOM 0 HB2 MET A 8 3.128 1.508 -12.018 1.00 25.00 H new ATOM 0 HB3 MET A 8 3.217 2.925 -13.046 1.00 25.00 H new ATOM 0 HG2 MET A 8 4.292 4.178 -11.253 1.00 25.00 H new ATOM 0 HG3 MET A 8 4.169 2.788 -10.192 1.00 25.00 H new ATOM 0 HE1 MET A 8 6.400 2.942 -14.149 1.00 25.00 H new ATOM 0 HE2 MET A 8 5.194 4.085 -13.509 1.00 25.00 H new ATOM 0 HE3 MET A 8 6.910 4.268 -13.077 1.00 25.00 H new ATOM 145 N ALA A 9 0.233 1.404 -12.334 1.00 25.00 N ATOM 146 CA ALA A 9 -0.825 0.908 -13.200 1.00 25.00 C ATOM 147 C ALA A 9 -2.106 1.729 -13.018 1.00 25.00 C ATOM 148 O ALA A 9 -2.796 2.049 -13.976 1.00 25.00 O ATOM 149 CB ALA A 9 -1.081 -0.586 -12.937 1.00 25.00 C ATOM 0 H ALA A 9 0.597 0.717 -11.674 1.00 25.00 H new ATOM 0 HA ALA A 9 -0.503 1.018 -14.236 1.00 25.00 H new ATOM 0 HB1 ALA A 9 -1.876 -0.940 -13.594 1.00 25.00 H new ATOM 0 HB2 ALA A 9 -0.170 -1.151 -13.133 1.00 25.00 H new ATOM 0 HB3 ALA A 9 -1.379 -0.727 -11.898 1.00 25.00 H new ATOM 155 N ALA A 10 -2.424 2.048 -11.772 1.00 25.00 N ATOM 156 CA ALA A 10 -3.626 2.805 -11.462 1.00 25.00 C ATOM 157 C ALA A 10 -3.545 4.217 -12.092 1.00 25.00 C ATOM 158 O ALA A 10 -4.480 4.695 -12.718 1.00 25.00 O ATOM 159 CB ALA A 10 -3.802 2.887 -9.936 1.00 25.00 C ATOM 0 H ALA A 10 -1.864 1.793 -10.958 1.00 25.00 H new ATOM 0 HA ALA A 10 -4.495 2.300 -11.884 1.00 25.00 H new ATOM 0 HB1 ALA A 10 -4.703 3.455 -9.704 1.00 25.00 H new ATOM 0 HB2 ALA A 10 -3.891 1.881 -9.525 1.00 25.00 H new ATOM 0 HB3 ALA A 10 -2.937 3.383 -9.496 1.00 25.00 H new ATOM 165 N LEU A 11 -2.406 4.871 -11.912 1.00 25.00 N ATOM 166 CA LEU A 11 -2.214 6.227 -12.408 1.00 25.00 C ATOM 167 C LEU A 11 -2.186 6.238 -13.929 1.00 25.00 C ATOM 168 O LEU A 11 -2.726 7.127 -14.572 1.00 25.00 O ATOM 169 CB LEU A 11 -0.921 6.811 -11.848 1.00 25.00 C ATOM 170 CG LEU A 11 -0.944 7.100 -10.341 1.00 25.00 C ATOM 171 CD1 LEU A 11 0.481 7.299 -9.800 1.00 25.00 C ATOM 172 CD2 LEU A 11 -1.783 8.313 -10.039 1.00 25.00 C ATOM 0 H LEU A 11 -1.598 4.483 -11.425 1.00 25.00 H new ATOM 0 HA LEU A 11 -3.050 6.843 -12.075 1.00 25.00 H new ATOM 0 HB2 LEU A 11 -0.105 6.119 -12.058 1.00 25.00 H new ATOM 0 HB3 LEU A 11 -0.698 7.737 -12.378 1.00 25.00 H new ATOM 0 HG LEU A 11 -1.388 6.237 -9.845 1.00 25.00 H new ATOM 0 HD11 LEU A 11 0.439 7.503 -8.730 1.00 25.00 H new ATOM 0 HD12 LEU A 11 1.066 6.396 -9.975 1.00 25.00 H new ATOM 0 HD13 LEU A 11 0.950 8.140 -10.311 1.00 25.00 H new ATOM 0 HD21 LEU A 11 -1.783 8.497 -8.965 1.00 25.00 H new ATOM 0 HD22 LEU A 11 -1.369 9.179 -10.555 1.00 25.00 H new ATOM 0 HD23 LEU A 11 -2.805 8.142 -10.378 1.00 25.00 H new ATOM 184 N ASN A 12 -1.599 5.198 -14.510 1.00 25.00 N ATOM 185 CA ASN A 12 -1.527 5.069 -15.973 1.00 25.00 C ATOM 186 C ASN A 12 -2.900 4.954 -16.586 1.00 25.00 C ATOM 187 O ASN A 12 -3.139 5.507 -17.653 1.00 25.00 O ATOM 188 CB ASN A 12 -0.704 3.824 -16.375 1.00 25.00 C ATOM 189 CG ASN A 12 0.780 4.007 -16.157 1.00 25.00 C ATOM 190 OD1 ASN A 12 1.234 5.039 -15.713 1.00 25.00 O ATOM 191 ND2 ASN A 12 1.539 2.988 -16.460 1.00 25.00 N ATOM 0 H ASN A 12 -1.165 4.430 -13.998 1.00 25.00 H new ATOM 0 HA ASN A 12 -1.042 5.971 -16.346 1.00 25.00 H new ATOM 0 HB2 ASN A 12 -1.048 2.965 -15.799 1.00 25.00 H new ATOM 0 HB3 ASN A 12 -0.887 3.597 -17.425 1.00 25.00 H new ATOM 0 HD21 ASN A 12 2.548 3.046 -16.325 1.00 25.00 H new ATOM 0 HD22 ASN A 12 1.122 2.134 -16.832 1.00 25.00 H new ATOM 198 N SER A 13 -3.809 4.275 -15.905 1.00 25.00 N ATOM 199 CA SER A 13 -5.172 4.122 -16.401 1.00 25.00 C ATOM 200 C SER A 13 -5.872 5.482 -16.499 1.00 25.00 C ATOM 201 O SER A 13 -6.602 5.726 -17.455 1.00 25.00 O ATOM 202 CB SER A 13 -5.967 3.210 -15.460 1.00 25.00 C ATOM 203 OG SER A 13 -7.312 3.070 -15.870 1.00 25.00 O ATOM 0 H SER A 13 -3.631 3.821 -15.009 1.00 25.00 H new ATOM 0 HA SER A 13 -5.126 3.678 -17.396 1.00 25.00 H new ATOM 0 HB2 SER A 13 -5.495 2.228 -15.423 1.00 25.00 H new ATOM 0 HB3 SER A 13 -5.937 3.617 -14.449 1.00 25.00 H new ATOM 0 HG SER A 13 -7.785 2.481 -15.246 1.00 25.00 H new ATOM 209 N GLN A 14 -5.668 6.351 -15.510 1.00 25.00 N ATOM 210 CA GLN A 14 -6.364 7.630 -15.479 1.00 25.00 C ATOM 211 C GLN A 14 -5.778 8.632 -16.466 1.00 25.00 C ATOM 212 O GLN A 14 -6.469 9.548 -16.902 1.00 25.00 O ATOM 213 CB GLN A 14 -6.300 8.231 -14.083 1.00 25.00 C ATOM 214 CG GLN A 14 -6.782 7.321 -12.962 1.00 25.00 C ATOM 215 CD GLN A 14 -8.229 6.897 -13.105 1.00 25.00 C ATOM 216 OE1 GLN A 14 -9.132 7.713 -13.100 1.00 25.00 O ATOM 217 NE2 GLN A 14 -8.442 5.610 -13.238 1.00 25.00 N ATOM 0 H GLN A 14 -5.032 6.193 -14.728 1.00 25.00 H new ATOM 0 HA GLN A 14 -7.397 7.431 -15.763 1.00 25.00 H new ATOM 0 HB2 GLN A 14 -5.270 8.520 -13.876 1.00 25.00 H new ATOM 0 HB3 GLN A 14 -6.896 9.143 -14.070 1.00 25.00 H new ATOM 0 HG2 GLN A 14 -6.153 6.431 -12.932 1.00 25.00 H new ATOM 0 HG3 GLN A 14 -6.655 7.834 -12.009 1.00 25.00 H new ATOM 0 HE21 GLN A 14 -7.656 4.960 -13.237 1.00 25.00 H new ATOM 0 HE22 GLN A 14 -9.394 5.259 -13.343 1.00 25.00 H new ATOM 226 N THR A 15 -4.510 8.464 -16.839 1.00 25.00 N ATOM 227 CA THR A 15 -3.803 9.452 -17.669 1.00 25.00 C ATOM 228 C THR A 15 -3.643 9.017 -19.115 1.00 25.00 C ATOM 229 O THR A 15 -3.183 9.794 -19.949 1.00 25.00 O ATOM 230 CB THR A 15 -2.389 9.729 -17.118 1.00 25.00 C ATOM 231 OG1 THR A 15 -1.697 8.494 -16.963 1.00 25.00 O ATOM 232 CG2 THR A 15 -2.439 10.430 -15.764 1.00 25.00 C ATOM 0 H THR A 15 -3.946 7.654 -16.582 1.00 25.00 H new ATOM 0 HA THR A 15 -4.425 10.346 -17.633 1.00 25.00 H new ATOM 0 HB THR A 15 -1.876 10.380 -17.826 1.00 25.00 H new ATOM 0 HG1 THR A 15 -2.031 8.029 -16.167 1.00 25.00 H new ATOM 0 HG21 THR A 15 -1.424 10.608 -15.409 1.00 25.00 H new ATOM 0 HG22 THR A 15 -2.960 11.382 -15.866 1.00 25.00 H new ATOM 0 HG23 THR A 15 -2.969 9.802 -15.048 1.00 25.00 H new ATOM 240 N ALA A 16 -3.985 7.781 -19.418 1.00 25.00 N ATOM 241 CA ALA A 16 -3.762 7.227 -20.757 1.00 25.00 C ATOM 242 C ALA A 16 -4.279 8.123 -21.879 1.00 25.00 C ATOM 243 O ALA A 16 -3.513 8.611 -22.697 1.00 25.00 O ATOM 244 CB ALA A 16 -4.358 5.819 -20.849 1.00 25.00 C ATOM 0 H ALA A 16 -4.419 7.133 -18.761 1.00 25.00 H new ATOM 0 HA ALA A 16 -2.683 7.171 -20.902 1.00 25.00 H new ATOM 0 HB1 ALA A 16 -4.187 5.416 -21.847 1.00 25.00 H new ATOM 0 HB2 ALA A 16 -3.882 5.173 -20.111 1.00 25.00 H new ATOM 0 HB3 ALA A 16 -5.430 5.864 -20.654 1.00 25.00 H new ATOM 250 N VAL A 17 -5.593 8.353 -21.936 1.00 25.00 N ATOM 251 CA VAL A 17 -6.194 9.133 -23.039 1.00 25.00 C ATOM 252 C VAL A 17 -5.790 10.610 -22.971 1.00 25.00 C ATOM 253 O VAL A 17 -5.648 11.254 -23.992 1.00 25.00 O ATOM 254 CB VAL A 17 -7.745 8.943 -23.068 1.00 25.00 C ATOM 255 CG1 VAL A 17 -8.449 9.624 -21.886 1.00 25.00 C ATOM 256 CG2 VAL A 17 -8.323 9.453 -24.409 1.00 25.00 C ATOM 0 H VAL A 17 -6.262 8.017 -21.243 1.00 25.00 H new ATOM 0 HA VAL A 17 -5.801 8.749 -23.980 1.00 25.00 H new ATOM 0 HB VAL A 17 -7.936 7.874 -22.974 1.00 25.00 H new ATOM 0 HG11 VAL A 17 -9.524 9.459 -21.958 1.00 25.00 H new ATOM 0 HG12 VAL A 17 -8.079 9.203 -20.951 1.00 25.00 H new ATOM 0 HG13 VAL A 17 -8.244 10.694 -21.908 1.00 25.00 H new ATOM 0 HG21 VAL A 17 -9.404 9.314 -24.415 1.00 25.00 H new ATOM 0 HG22 VAL A 17 -8.092 10.512 -24.525 1.00 25.00 H new ATOM 0 HG23 VAL A 17 -7.881 8.892 -25.233 1.00 25.00 H new ATOM 266 N GLN A 18 -5.591 11.131 -21.777 1.00 25.00 N ATOM 267 CA GLN A 18 -5.213 12.517 -21.597 1.00 25.00 C ATOM 268 C GLN A 18 -3.831 12.767 -22.210 1.00 25.00 C ATOM 269 O GLN A 18 -3.619 13.748 -22.917 1.00 25.00 O ATOM 270 CB GLN A 18 -5.186 12.843 -20.097 1.00 25.00 C ATOM 271 CG GLN A 18 -4.968 14.327 -19.776 1.00 25.00 C ATOM 272 CD GLN A 18 -4.991 14.591 -18.280 1.00 25.00 C ATOM 273 OE1 GLN A 18 -5.000 13.670 -17.474 1.00 25.00 O ATOM 274 NE2 GLN A 18 -5.007 15.843 -17.905 1.00 25.00 N ATOM 0 H GLN A 18 -5.687 10.607 -20.907 1.00 25.00 H new ATOM 0 HA GLN A 18 -5.939 13.159 -22.096 1.00 25.00 H new ATOM 0 HB2 GLN A 18 -6.127 12.521 -19.651 1.00 25.00 H new ATOM 0 HB3 GLN A 18 -4.394 12.261 -19.625 1.00 25.00 H new ATOM 0 HG2 GLN A 18 -4.012 14.651 -20.187 1.00 25.00 H new ATOM 0 HG3 GLN A 18 -5.742 14.921 -20.262 1.00 25.00 H new ATOM 0 HE21 GLN A 18 -4.999 16.585 -18.605 1.00 25.00 H new ATOM 0 HE22 GLN A 18 -5.028 16.078 -16.913 1.00 25.00 H new ATOM 283 N PHE A 19 -2.907 11.857 -21.934 1.00 25.00 N ATOM 284 CA PHE A 19 -1.569 11.971 -22.466 1.00 25.00 C ATOM 285 C PHE A 19 -1.554 11.596 -23.936 1.00 25.00 C ATOM 286 O PHE A 19 -0.762 12.120 -24.689 1.00 25.00 O ATOM 287 CB PHE A 19 -0.598 11.087 -21.681 1.00 25.00 C ATOM 288 CG PHE A 19 -0.270 11.604 -20.287 1.00 25.00 C ATOM 289 CD1 PHE A 19 -0.604 12.923 -19.852 1.00 25.00 C ATOM 290 CD2 PHE A 19 0.366 10.741 -19.380 1.00 25.00 C ATOM 291 CE1 PHE A 19 -0.312 13.342 -18.551 1.00 25.00 C ATOM 292 CE2 PHE A 19 0.656 11.173 -18.063 1.00 25.00 C ATOM 293 CZ PHE A 19 0.315 12.476 -17.652 1.00 25.00 C ATOM 0 H PHE A 19 -3.064 11.038 -21.347 1.00 25.00 H new ATOM 0 HA PHE A 19 -1.246 13.007 -22.366 1.00 25.00 H new ATOM 0 HB2 PHE A 19 -1.023 10.087 -21.595 1.00 25.00 H new ATOM 0 HB3 PHE A 19 0.328 10.991 -22.248 1.00 25.00 H new ATOM 0 HD1 PHE A 19 -1.088 13.604 -20.536 1.00 25.00 H new ATOM 0 HD2 PHE A 19 0.636 9.742 -19.689 1.00 25.00 H new ATOM 0 HE1 PHE A 19 -0.573 14.342 -18.239 1.00 25.00 H new ATOM 0 HE2 PHE A 19 1.141 10.500 -17.371 1.00 25.00 H new ATOM 0 HZ PHE A 19 0.537 12.804 -16.647 1.00 25.00 H new ATOM 303 N GLN A 20 -2.455 10.733 -24.375 1.00 25.00 N ATOM 304 CA GLN A 20 -2.498 10.362 -25.794 1.00 25.00 C ATOM 305 C GLN A 20 -2.800 11.553 -26.703 1.00 25.00 C ATOM 306 O GLN A 20 -2.130 11.751 -27.708 1.00 25.00 O ATOM 307 CB GLN A 20 -3.542 9.257 -26.053 1.00 25.00 C ATOM 308 CG GLN A 20 -3.350 8.604 -27.386 1.00 25.00 C ATOM 309 CD GLN A 20 -4.303 7.449 -27.642 1.00 25.00 C ATOM 310 OE1 GLN A 20 -4.523 6.611 -26.789 1.00 25.00 O ATOM 311 NE2 GLN A 20 -4.850 7.386 -28.828 1.00 25.00 N ATOM 0 H GLN A 20 -3.157 10.280 -23.789 1.00 25.00 H new ATOM 0 HA GLN A 20 -1.502 9.990 -26.035 1.00 25.00 H new ATOM 0 HB2 GLN A 20 -3.475 8.504 -25.268 1.00 25.00 H new ATOM 0 HB3 GLN A 20 -4.543 9.685 -26.000 1.00 25.00 H new ATOM 0 HG2 GLN A 20 -3.480 9.351 -28.169 1.00 25.00 H new ATOM 0 HG3 GLN A 20 -2.325 8.241 -27.459 1.00 25.00 H new ATOM 0 HE21 GLN A 20 -4.646 8.104 -29.523 1.00 25.00 H new ATOM 0 HE22 GLN A 20 -5.481 6.618 -29.059 1.00 25.00 H new ATOM 320 N GLN A 21 -3.768 12.372 -26.292 1.00 25.00 N ATOM 321 CA GLN A 21 -4.142 13.573 -27.039 1.00 25.00 C ATOM 322 C GLN A 21 -2.946 14.519 -27.105 1.00 25.00 C ATOM 323 O GLN A 21 -2.658 15.095 -28.164 1.00 25.00 O ATOM 324 CB GLN A 21 -5.327 14.263 -26.340 1.00 25.00 C ATOM 325 CG GLN A 21 -6.612 13.442 -26.348 1.00 25.00 C ATOM 326 CD GLN A 21 -7.362 13.562 -27.634 1.00 25.00 C ATOM 327 OE1 GLN A 21 -6.972 12.981 -28.644 1.00 25.00 O ATOM 328 NE2 GLN A 21 -8.441 14.311 -27.616 1.00 25.00 N ATOM 0 H GLN A 21 -4.310 12.224 -25.441 1.00 25.00 H new ATOM 0 HA GLN A 21 -4.438 13.301 -28.052 1.00 25.00 H new ATOM 0 HB2 GLN A 21 -5.052 14.479 -25.308 1.00 25.00 H new ATOM 0 HB3 GLN A 21 -5.516 15.220 -26.826 1.00 25.00 H new ATOM 0 HG2 GLN A 21 -6.371 12.394 -26.169 1.00 25.00 H new ATOM 0 HG3 GLN A 21 -7.251 13.767 -25.527 1.00 25.00 H new ATOM 0 HE21 GLN A 21 -8.726 14.774 -26.753 1.00 25.00 H new ATOM 0 HE22 GLN A 21 -8.994 14.429 -28.465 1.00 25.00 H new ATOM 337 N TYR A 22 -2.235 14.666 -26.001 1.00 25.00 N ATOM 338 CA TYR A 22 -1.038 15.491 -25.983 1.00 25.00 C ATOM 339 C TYR A 22 0.082 14.895 -26.849 1.00 25.00 C ATOM 340 O TYR A 22 0.759 15.625 -27.576 1.00 25.00 O ATOM 341 CB TYR A 22 -0.547 15.646 -24.549 1.00 25.00 C ATOM 342 CG TYR A 22 0.769 16.358 -24.462 1.00 25.00 C ATOM 343 CD1 TYR A 22 0.840 17.761 -24.556 1.00 25.00 C ATOM 344 CD2 TYR A 22 1.951 15.629 -24.289 1.00 25.00 C ATOM 345 CE1 TYR A 22 2.107 18.445 -24.501 1.00 25.00 C ATOM 346 CE2 TYR A 22 3.213 16.291 -24.226 1.00 25.00 C ATOM 347 CZ TYR A 22 3.281 17.688 -24.340 1.00 25.00 C ATOM 348 OH TYR A 22 4.490 18.306 -24.301 1.00 25.00 O ATOM 0 H TYR A 22 -2.463 14.228 -25.109 1.00 25.00 H new ATOM 0 HA TYR A 22 -1.298 16.464 -26.399 1.00 25.00 H new ATOM 0 HB2 TYR A 22 -1.291 16.195 -23.972 1.00 25.00 H new ATOM 0 HB3 TYR A 22 -0.453 14.660 -24.093 1.00 25.00 H new ATOM 0 HD1 TYR A 22 -0.069 18.333 -24.671 1.00 25.00 H new ATOM 0 HD2 TYR A 22 1.907 14.553 -24.202 1.00 25.00 H new ATOM 0 HE1 TYR A 22 2.154 19.521 -24.582 1.00 25.00 H new ATOM 0 HE2 TYR A 22 4.117 15.716 -24.090 1.00 25.00 H new ATOM 0 HH TYR A 22 5.196 17.637 -24.184 1.00 25.00 H new ATOM 358 N ALA A 23 0.311 13.590 -26.753 1.00 25.00 N ATOM 359 CA ALA A 23 1.379 12.942 -27.491 1.00 25.00 C ATOM 360 C ALA A 23 1.197 13.096 -29.004 1.00 25.00 C ATOM 361 O ALA A 23 2.164 13.299 -29.747 1.00 25.00 O ATOM 362 CB ALA A 23 1.431 11.476 -27.113 1.00 25.00 C ATOM 0 H ALA A 23 -0.235 12.960 -26.166 1.00 25.00 H new ATOM 0 HA ALA A 23 2.320 13.424 -27.228 1.00 25.00 H new ATOM 0 HB1 ALA A 23 2.232 10.986 -27.666 1.00 25.00 H new ATOM 0 HB2 ALA A 23 1.618 11.382 -26.043 1.00 25.00 H new ATOM 0 HB3 ALA A 23 0.480 11.003 -27.358 1.00 25.00 H new ATOM 368 N ALA A 24 -0.053 13.019 -29.447 1.00 25.00 N ATOM 369 CA ALA A 24 -0.386 13.157 -30.865 1.00 25.00 C ATOM 370 C ALA A 24 -0.051 14.574 -31.330 1.00 25.00 C ATOM 371 O ALA A 24 0.239 14.788 -32.505 1.00 25.00 O ATOM 372 CB ALA A 24 -1.850 12.838 -31.108 1.00 25.00 C ATOM 0 H ALA A 24 -0.859 12.861 -28.842 1.00 25.00 H new ATOM 0 HA ALA A 24 0.205 12.446 -31.442 1.00 25.00 H new ATOM 0 HB1 ALA A 24 -2.075 12.947 -32.169 1.00 25.00 H new ATOM 0 HB2 ALA A 24 -2.056 11.814 -30.797 1.00 25.00 H new ATOM 0 HB3 ALA A 24 -2.472 13.524 -30.533 1.00 25.00 H new ATOM 378 N GLN A 25 -0.107 15.529 -30.419 1.00 25.00 N ATOM 379 CA GLN A 25 0.165 16.935 -30.751 1.00 25.00 C ATOM 380 C GLN A 25 1.670 17.190 -30.836 1.00 25.00 C ATOM 381 O GLN A 25 2.100 18.146 -31.464 1.00 25.00 O ATOM 382 CB GLN A 25 -0.441 17.825 -29.682 1.00 25.00 C ATOM 383 CG GLN A 25 -0.963 19.165 -30.218 1.00 25.00 C ATOM 384 CD GLN A 25 -1.337 20.129 -29.104 1.00 25.00 C ATOM 385 OE1 GLN A 25 -0.628 21.036 -28.786 1.00 25.00 O ATOM 386 NE2 GLN A 25 -2.495 19.917 -28.512 1.00 25.00 N ATOM 0 H GLN A 25 -0.338 15.366 -29.439 1.00 25.00 H new ATOM 0 HA GLN A 25 -0.278 17.160 -31.721 1.00 25.00 H new ATOM 0 HB2 GLN A 25 -1.261 17.292 -29.200 1.00 25.00 H new ATOM 0 HB3 GLN A 25 0.309 18.018 -28.915 1.00 25.00 H new ATOM 0 HG2 GLN A 25 -0.201 19.622 -30.850 1.00 25.00 H new ATOM 0 HG3 GLN A 25 -1.834 18.986 -30.848 1.00 25.00 H new ATOM 0 HE21 GLN A 25 -3.081 19.135 -28.803 1.00 25.00 H new ATOM 0 HE22 GLN A 25 -2.805 20.535 -27.762 1.00 25.00 H new ATOM 395 N GLN A 26 2.473 16.314 -30.247 1.00 25.00 N ATOM 396 CA GLN A 26 3.925 16.479 -30.259 1.00 25.00 C ATOM 397 C GLN A 26 4.583 15.660 -31.372 1.00 25.00 C ATOM 398 O GLN A 26 5.431 16.166 -32.091 1.00 25.00 O ATOM 399 CB GLN A 26 4.531 16.020 -28.939 1.00 25.00 C ATOM 400 CG GLN A 26 4.200 16.944 -27.769 1.00 25.00 C ATOM 401 CD GLN A 26 4.824 18.270 -27.913 1.00 25.00 C ATOM 402 OE1 GLN A 26 6.040 18.383 -28.052 1.00 25.00 O ATOM 403 NE2 GLN A 26 4.011 19.310 -27.905 1.00 25.00 N ATOM 0 H GLN A 26 2.147 15.482 -29.755 1.00 25.00 H new ATOM 0 HA GLN A 26 4.110 17.540 -30.424 1.00 25.00 H new ATOM 0 HB2 GLN A 26 4.173 15.016 -28.712 1.00 25.00 H new ATOM 0 HB3 GLN A 26 5.614 15.956 -29.047 1.00 25.00 H new ATOM 0 HG2 GLN A 26 3.119 17.059 -27.694 1.00 25.00 H new ATOM 0 HG3 GLN A 26 4.537 16.485 -26.839 1.00 25.00 H new ATOM 0 HE21 GLN A 26 3.007 19.172 -27.787 1.00 25.00 H new ATOM 0 HE22 GLN A 26 4.386 20.252 -28.017 1.00 25.00 H new ATOM 412 N TYR A 27 4.159 14.411 -31.516 1.00 25.00 N ATOM 413 CA TYR A 27 4.696 13.534 -32.564 1.00 25.00 C ATOM 414 C TYR A 27 3.559 13.077 -33.440 1.00 25.00 C ATOM 415 O TYR A 27 3.113 11.914 -33.338 1.00 25.00 O ATOM 416 CB TYR A 27 5.422 12.322 -31.934 1.00 25.00 C ATOM 417 CG TYR A 27 6.576 12.741 -31.031 1.00 25.00 C ATOM 418 CD1 TYR A 27 7.498 13.718 -31.444 1.00 25.00 C ATOM 419 CD2 TYR A 27 6.738 12.173 -29.753 1.00 25.00 C ATOM 420 CE1 TYR A 27 8.547 14.139 -30.602 1.00 25.00 C ATOM 421 CE2 TYR A 27 7.797 12.577 -28.913 1.00 25.00 C ATOM 422 CZ TYR A 27 8.694 13.565 -29.334 1.00 25.00 C ATOM 423 OH TYR A 27 9.721 13.995 -28.504 1.00 25.00 O ATOM 0 H TYR A 27 3.448 13.978 -30.926 1.00 25.00 H new ATOM 0 HA TYR A 27 5.422 14.080 -33.166 1.00 25.00 H new ATOM 0 HB2 TYR A 27 4.708 11.734 -31.357 1.00 25.00 H new ATOM 0 HB3 TYR A 27 5.800 11.676 -32.727 1.00 25.00 H new ATOM 0 HD1 TYR A 27 7.401 14.155 -32.427 1.00 25.00 H new ATOM 0 HD2 TYR A 27 6.044 11.419 -29.412 1.00 25.00 H new ATOM 0 HE1 TYR A 27 9.235 14.902 -30.934 1.00 25.00 H new ATOM 0 HE2 TYR A 27 7.916 12.122 -27.941 1.00 25.00 H new ATOM 0 HH TYR A 27 9.687 13.500 -27.659 1.00 25.00 H new ATOM 433 N PRO A 28 3.017 13.959 -34.301 1.00 25.00 N ATOM 434 CA PRO A 28 1.841 13.505 -35.047 1.00 25.00 C ATOM 435 C PRO A 28 2.146 12.414 -36.071 1.00 25.00 C ATOM 436 O PRO A 28 3.161 12.449 -36.758 1.00 25.00 O ATOM 437 CB PRO A 28 1.338 14.773 -35.714 1.00 25.00 C ATOM 438 CG PRO A 28 2.558 15.630 -35.865 1.00 25.00 C ATOM 439 CD PRO A 28 3.356 15.368 -34.619 1.00 25.00 C ATOM 0 HA PRO A 28 1.108 13.035 -34.391 1.00 25.00 H new ATOM 0 HB2 PRO A 28 0.882 14.558 -36.681 1.00 25.00 H new ATOM 0 HB3 PRO A 28 0.580 15.267 -35.106 1.00 25.00 H new ATOM 0 HG2 PRO A 28 3.121 15.366 -36.760 1.00 25.00 H new ATOM 0 HG3 PRO A 28 2.295 16.684 -35.954 1.00 25.00 H new ATOM 0 HD2 PRO A 28 4.425 15.498 -34.788 1.00 25.00 H new ATOM 0 HD3 PRO A 28 3.077 16.044 -33.810 1.00 25.00 H new ATOM 447 N GLY A 29 1.279 11.414 -36.130 1.00 25.00 N ATOM 448 CA GLY A 29 1.490 10.300 -37.028 1.00 25.00 C ATOM 449 C GLY A 29 2.413 9.206 -36.504 1.00 25.00 C ATOM 450 O GLY A 29 2.369 8.076 -36.975 1.00 25.00 O ATOM 0 H GLY A 29 0.429 11.355 -35.569 1.00 25.00 H new ATOM 0 HA2 GLY A 29 0.523 9.855 -37.262 1.00 25.00 H new ATOM 0 HA3 GLY A 29 1.900 10.681 -37.963 1.00 25.00 H new ATOM 454 N ASN A 30 3.263 9.519 -35.541 1.00 25.00 N ATOM 455 CA ASN A 30 4.249 8.550 -35.037 1.00 25.00 C ATOM 456 C ASN A 30 3.733 7.824 -33.812 1.00 25.00 C ATOM 457 O ASN A 30 4.016 8.200 -32.671 1.00 25.00 O ATOM 458 CB ASN A 30 5.563 9.256 -34.682 1.00 25.00 C ATOM 459 CG ASN A 30 6.355 9.655 -35.885 1.00 25.00 C ATOM 460 OD1 ASN A 30 6.452 10.846 -36.203 1.00 25.00 O ATOM 461 ND2 ASN A 30 6.945 8.699 -36.545 1.00 25.00 N ATOM 0 H ASN A 30 3.298 10.432 -35.087 1.00 25.00 H new ATOM 0 HA ASN A 30 4.424 7.823 -35.830 1.00 25.00 H new ATOM 0 HB2 ASN A 30 5.343 10.143 -34.088 1.00 25.00 H new ATOM 0 HB3 ASN A 30 6.167 8.596 -34.059 1.00 25.00 H new ATOM 0 HD21 ASN A 30 7.516 8.920 -37.361 1.00 25.00 H new ATOM 0 HD22 ASN A 30 6.836 7.730 -36.245 1.00 25.00 H new ATOM 468 N TYR A 31 2.982 6.752 -34.028 1.00 25.00 N ATOM 469 CA TYR A 31 2.423 5.965 -32.933 1.00 25.00 C ATOM 470 C TYR A 31 3.494 5.488 -31.933 1.00 25.00 C ATOM 471 O TYR A 31 3.323 5.601 -30.713 1.00 25.00 O ATOM 472 CB TYR A 31 1.709 4.744 -33.507 1.00 25.00 C ATOM 473 CG TYR A 31 1.316 3.751 -32.428 1.00 25.00 C ATOM 474 CD1 TYR A 31 0.250 4.019 -31.565 1.00 25.00 C ATOM 475 CD2 TYR A 31 2.004 2.522 -32.290 1.00 25.00 C ATOM 476 CE1 TYR A 31 -0.131 3.103 -30.576 1.00 25.00 C ATOM 477 CE2 TYR A 31 1.609 1.591 -31.288 1.00 25.00 C ATOM 478 CZ TYR A 31 0.538 1.895 -30.453 1.00 25.00 C ATOM 479 OH TYR A 31 0.155 1.018 -29.476 1.00 25.00 O ATOM 0 H TYR A 31 2.744 6.405 -34.957 1.00 25.00 H new ATOM 0 HA TYR A 31 1.732 6.611 -32.392 1.00 25.00 H new ATOM 0 HB2 TYR A 31 0.817 5.066 -34.045 1.00 25.00 H new ATOM 0 HB3 TYR A 31 2.358 4.253 -34.232 1.00 25.00 H new ATOM 0 HD1 TYR A 31 -0.290 4.949 -31.662 1.00 25.00 H new ATOM 0 HD2 TYR A 31 2.830 2.290 -32.946 1.00 25.00 H new ATOM 0 HE1 TYR A 31 -0.947 3.338 -29.909 1.00 25.00 H new ATOM 0 HE2 TYR A 31 2.137 0.655 -31.177 1.00 25.00 H new ATOM 0 HH TYR A 31 0.717 0.216 -29.517 1.00 25.00 H new ATOM 489 N GLU A 32 4.628 5.004 -32.449 1.00 25.00 N ATOM 490 CA GLU A 32 5.709 4.528 -31.584 1.00 25.00 C ATOM 491 C GLU A 32 6.258 5.647 -30.675 1.00 25.00 C ATOM 492 O GLU A 32 6.389 5.462 -29.491 1.00 25.00 O ATOM 493 CB GLU A 32 6.827 3.939 -32.453 1.00 25.00 C ATOM 494 CG GLU A 32 7.332 4.860 -33.562 1.00 25.00 C ATOM 495 CD GLU A 32 8.360 4.193 -34.479 1.00 25.00 C ATOM 496 OE1 GLU A 32 8.683 3.013 -34.258 1.00 25.00 O ATOM 497 OE2 GLU A 32 8.818 4.884 -35.410 1.00 25.00 O ATOM 0 H GLU A 32 4.819 4.932 -33.448 1.00 25.00 H new ATOM 0 HA GLU A 32 5.308 3.757 -30.926 1.00 25.00 H new ATOM 0 HB2 GLU A 32 7.666 3.675 -31.810 1.00 25.00 H new ATOM 0 HB3 GLU A 32 6.468 3.014 -32.904 1.00 25.00 H new ATOM 0 HG2 GLU A 32 6.485 5.196 -34.160 1.00 25.00 H new ATOM 0 HG3 GLU A 32 7.777 5.748 -33.113 1.00 25.00 H new ATOM 504 N GLN A 33 6.523 6.833 -31.230 1.00 25.00 N ATOM 505 CA GLN A 33 7.030 7.944 -30.445 1.00 25.00 C ATOM 506 C GLN A 33 6.003 8.458 -29.466 1.00 25.00 C ATOM 507 O GLN A 33 6.315 8.814 -28.325 1.00 25.00 O ATOM 508 CB GLN A 33 7.443 9.105 -31.325 1.00 25.00 C ATOM 509 CG GLN A 33 8.585 8.845 -32.254 1.00 25.00 C ATOM 510 CD GLN A 33 9.886 8.671 -31.514 1.00 25.00 C ATOM 511 OE1 GLN A 33 10.118 9.291 -30.494 1.00 25.00 O ATOM 512 NE2 GLN A 33 10.736 7.829 -32.025 1.00 25.00 N ATOM 0 H GLN A 33 6.392 7.041 -32.220 1.00 25.00 H new ATOM 0 HA GLN A 33 7.893 7.554 -29.906 1.00 25.00 H new ATOM 0 HB2 GLN A 33 6.581 9.412 -31.917 1.00 25.00 H new ATOM 0 HB3 GLN A 33 7.705 9.947 -30.684 1.00 25.00 H new ATOM 0 HG2 GLN A 33 8.379 7.950 -32.840 1.00 25.00 H new ATOM 0 HG3 GLN A 33 8.676 9.673 -32.957 1.00 25.00 H new ATOM 0 HE21 GLN A 33 10.504 7.328 -32.883 1.00 25.00 H new ATOM 0 HE22 GLN A 33 11.634 7.670 -31.568 1.00 25.00 H new ATOM 521 N GLN A 34 4.750 8.433 -29.886 1.00 25.00 N ATOM 522 CA GLN A 34 3.657 8.849 -29.019 1.00 25.00 C ATOM 523 C GLN A 34 3.619 7.988 -27.775 1.00 25.00 C ATOM 524 O GLN A 34 3.374 8.470 -26.667 1.00 25.00 O ATOM 525 CB GLN A 34 2.336 8.713 -29.785 1.00 25.00 C ATOM 526 CG GLN A 34 2.050 9.867 -30.698 1.00 25.00 C ATOM 527 CD GLN A 34 0.852 9.586 -31.593 1.00 25.00 C ATOM 528 OE1 GLN A 34 -0.025 8.820 -31.228 1.00 25.00 O ATOM 529 NE2 GLN A 34 0.816 10.194 -32.746 1.00 25.00 N ATOM 0 H GLN A 34 4.463 8.131 -30.817 1.00 25.00 H new ATOM 0 HA GLN A 34 3.807 9.886 -28.719 1.00 25.00 H new ATOM 0 HB2 GLN A 34 2.358 7.794 -30.371 1.00 25.00 H new ATOM 0 HB3 GLN A 34 1.519 8.615 -29.070 1.00 25.00 H new ATOM 0 HG2 GLN A 34 1.861 10.763 -30.106 1.00 25.00 H new ATOM 0 HG3 GLN A 34 2.926 10.071 -31.314 1.00 25.00 H new ATOM 0 HE21 GLN A 34 1.570 10.827 -33.013 1.00 25.00 H new ATOM 0 HE22 GLN A 34 0.034 10.037 -33.381 1.00 25.00 H new ATOM 538 N GLN A 35 3.876 6.695 -27.928 1.00 25.00 N ATOM 539 CA GLN A 35 3.827 5.763 -26.786 1.00 25.00 C ATOM 540 C GLN A 35 5.005 5.998 -25.846 1.00 25.00 C ATOM 541 O GLN A 35 4.876 5.966 -24.633 1.00 25.00 O ATOM 542 CB GLN A 35 3.803 4.289 -27.269 1.00 25.00 C ATOM 543 CG GLN A 35 2.482 3.882 -27.962 1.00 25.00 C ATOM 544 CD GLN A 35 1.355 3.662 -26.983 1.00 25.00 C ATOM 545 OE1 GLN A 35 1.460 2.868 -26.057 1.00 25.00 O ATOM 546 NE2 GLN A 35 0.276 4.402 -27.148 1.00 25.00 N ATOM 0 H GLN A 35 4.119 6.262 -28.819 1.00 25.00 H new ATOM 0 HA GLN A 35 2.905 5.955 -26.238 1.00 25.00 H new ATOM 0 HB2 GLN A 35 4.630 4.129 -27.961 1.00 25.00 H new ATOM 0 HB3 GLN A 35 3.971 3.633 -26.415 1.00 25.00 H new ATOM 0 HG2 GLN A 35 2.195 4.658 -28.672 1.00 25.00 H new ATOM 0 HG3 GLN A 35 2.643 2.969 -28.535 1.00 25.00 H new ATOM 0 HE21 GLN A 35 0.220 5.054 -27.930 1.00 25.00 H new ATOM 0 HE22 GLN A 35 -0.502 4.322 -26.494 1.00 25.00 H new ATOM 555 N ILE A 36 6.173 6.270 -26.439 1.00 25.00 N ATOM 556 CA ILE A 36 7.389 6.555 -25.668 1.00 25.00 C ATOM 557 C ILE A 36 7.151 7.835 -24.845 1.00 25.00 C ATOM 558 O ILE A 36 7.505 7.887 -23.662 1.00 25.00 O ATOM 559 CB ILE A 36 8.614 6.748 -26.606 1.00 25.00 C ATOM 560 CG1 ILE A 36 8.896 5.419 -27.346 1.00 25.00 C ATOM 561 CG2 ILE A 36 9.856 7.205 -25.816 1.00 25.00 C ATOM 562 CD1 ILE A 36 9.801 5.593 -28.599 1.00 25.00 C ATOM 0 H ILE A 36 6.302 6.299 -27.450 1.00 25.00 H new ATOM 0 HA ILE A 36 7.605 5.713 -25.010 1.00 25.00 H new ATOM 0 HB ILE A 36 8.386 7.529 -27.331 1.00 25.00 H new ATOM 0 HG12 ILE A 36 9.372 4.721 -26.657 1.00 25.00 H new ATOM 0 HG13 ILE A 36 7.949 4.972 -27.649 1.00 25.00 H new ATOM 0 HG21 ILE A 36 10.696 7.331 -26.499 1.00 25.00 H new ATOM 0 HG22 ILE A 36 9.644 8.153 -25.322 1.00 25.00 H new ATOM 0 HG23 ILE A 36 10.107 6.454 -25.067 1.00 25.00 H new ATOM 0 HD11 ILE A 36 9.959 4.623 -29.071 1.00 25.00 H new ATOM 0 HD12 ILE A 36 9.317 6.266 -29.307 1.00 25.00 H new ATOM 0 HD13 ILE A 36 10.762 6.012 -28.299 1.00 25.00 H new ATOM 574 N LEU A 37 6.535 8.830 -25.461 1.00 25.00 N ATOM 575 CA LEU A 37 6.299 10.098 -24.774 1.00 25.00 C ATOM 576 C LEU A 37 5.361 9.920 -23.591 1.00 25.00 C ATOM 577 O LEU A 37 5.644 10.367 -22.485 1.00 25.00 O ATOM 578 CB LEU A 37 5.754 11.111 -25.776 1.00 25.00 C ATOM 579 CG LEU A 37 5.485 12.520 -25.212 1.00 25.00 C ATOM 580 CD1 LEU A 37 6.688 13.157 -24.516 1.00 25.00 C ATOM 581 CD2 LEU A 37 5.045 13.420 -26.329 1.00 25.00 C ATOM 0 H LEU A 37 6.192 8.791 -26.421 1.00 25.00 H new ATOM 0 HA LEU A 37 7.241 10.470 -24.370 1.00 25.00 H new ATOM 0 HB2 LEU A 37 6.461 11.197 -26.601 1.00 25.00 H new ATOM 0 HB3 LEU A 37 4.825 10.721 -26.192 1.00 25.00 H new ATOM 0 HG LEU A 37 4.711 12.401 -24.453 1.00 25.00 H new ATOM 0 HD11 LEU A 37 6.414 14.146 -24.148 1.00 25.00 H new ATOM 0 HD12 LEU A 37 6.997 12.531 -23.679 1.00 25.00 H new ATOM 0 HD13 LEU A 37 7.512 13.248 -25.224 1.00 25.00 H new ATOM 0 HD21 LEU A 37 4.853 14.419 -25.937 1.00 25.00 H new ATOM 0 HD22 LEU A 37 5.828 13.471 -27.085 1.00 25.00 H new ATOM 0 HD23 LEU A 37 4.134 13.025 -26.777 1.00 25.00 H new ATOM 593 N ILE A 38 4.254 9.233 -23.793 1.00 25.00 N ATOM 594 CA ILE A 38 3.275 8.954 -22.720 1.00 25.00 C ATOM 595 C ILE A 38 3.961 8.220 -21.568 1.00 25.00 C ATOM 596 O ILE A 38 3.775 8.585 -20.403 1.00 25.00 O ATOM 597 CB ILE A 38 2.096 8.079 -23.247 1.00 25.00 C ATOM 598 CG1 ILE A 38 1.288 8.899 -24.266 1.00 25.00 C ATOM 599 CG2 ILE A 38 1.171 7.611 -22.091 1.00 25.00 C ATOM 600 CD1 ILE A 38 0.447 8.069 -25.216 1.00 25.00 C ATOM 0 H ILE A 38 3.993 8.845 -24.700 1.00 25.00 H new ATOM 0 HA ILE A 38 2.878 9.908 -22.373 1.00 25.00 H new ATOM 0 HB ILE A 38 2.507 7.187 -23.719 1.00 25.00 H new ATOM 0 HG12 ILE A 38 0.634 9.584 -23.726 1.00 25.00 H new ATOM 0 HG13 ILE A 38 1.977 9.510 -24.850 1.00 25.00 H new ATOM 0 HG21 ILE A 38 0.361 7.004 -22.496 1.00 25.00 H new ATOM 0 HG22 ILE A 38 1.748 7.019 -21.380 1.00 25.00 H new ATOM 0 HG23 ILE A 38 0.754 8.481 -21.584 1.00 25.00 H new ATOM 0 HD11 ILE A 38 -0.088 8.729 -25.899 1.00 25.00 H new ATOM 0 HD12 ILE A 38 1.094 7.403 -25.787 1.00 25.00 H new ATOM 0 HD13 ILE A 38 -0.270 7.478 -24.646 1.00 25.00 H new ATOM 612 N ARG A 39 4.806 7.247 -21.894 1.00 25.00 N ATOM 613 CA ARG A 39 5.535 6.507 -20.871 1.00 25.00 C ATOM 614 C ARG A 39 6.444 7.454 -20.091 1.00 25.00 C ATOM 615 O ARG A 39 6.507 7.343 -18.867 1.00 25.00 O ATOM 616 CB ARG A 39 6.320 5.393 -21.544 1.00 25.00 C ATOM 617 CG ARG A 39 7.033 4.412 -20.592 1.00 25.00 C ATOM 618 CD ARG A 39 8.472 4.862 -20.238 1.00 25.00 C ATOM 619 NE ARG A 39 9.334 5.112 -21.396 1.00 25.00 N ATOM 620 CZ ARG A 39 10.057 4.200 -22.026 1.00 25.00 C ATOM 621 NH1 ARG A 39 10.038 2.922 -21.693 1.00 25.00 N ATOM 622 NH2 ARG A 39 10.810 4.558 -23.026 1.00 25.00 N ATOM 0 H ARG A 39 5.002 6.954 -22.851 1.00 25.00 H new ATOM 0 HA ARG A 39 4.844 6.061 -20.155 1.00 25.00 H new ATOM 0 HB2 ARG A 39 5.639 4.825 -22.179 1.00 25.00 H new ATOM 0 HB3 ARG A 39 7.066 5.843 -22.199 1.00 25.00 H new ATOM 0 HG2 ARG A 39 6.451 4.314 -19.675 1.00 25.00 H new ATOM 0 HG3 ARG A 39 7.069 3.425 -21.054 1.00 25.00 H new ATOM 0 HD2 ARG A 39 8.418 5.771 -19.639 1.00 25.00 H new ATOM 0 HD3 ARG A 39 8.935 4.097 -19.615 1.00 25.00 H new ATOM 0 HE ARG A 39 9.381 6.069 -21.746 1.00 25.00 H new ATOM 0 HH11 ARG A 39 9.450 2.604 -20.923 1.00 25.00 H new ATOM 0 HH12 ARG A 39 10.612 2.253 -22.206 1.00 25.00 H new ATOM 0 HH21 ARG A 39 10.839 5.535 -23.318 1.00 25.00 H new ATOM 0 HH22 ARG A 39 11.371 3.862 -23.517 1.00 25.00 H new ATOM 636 N GLN A 40 7.114 8.364 -20.756 1.00 25.00 N ATOM 637 CA GLN A 40 7.968 9.312 -20.063 1.00 25.00 C ATOM 638 C GLN A 40 7.138 10.227 -19.156 1.00 25.00 C ATOM 639 O GLN A 40 7.533 10.510 -18.039 1.00 25.00 O ATOM 640 CB GLN A 40 8.754 10.150 -21.071 1.00 25.00 C ATOM 641 CG GLN A 40 9.819 11.041 -20.447 1.00 25.00 C ATOM 642 CD GLN A 40 10.594 11.842 -21.479 1.00 25.00 C ATOM 643 OE1 GLN A 40 11.335 11.296 -22.282 1.00 25.00 O ATOM 644 NE2 GLN A 40 10.423 13.131 -21.450 1.00 25.00 N ATOM 0 H GLN A 40 7.088 8.472 -21.770 1.00 25.00 H new ATOM 0 HA GLN A 40 8.668 8.752 -19.443 1.00 25.00 H new ATOM 0 HB2 GLN A 40 9.230 9.482 -21.789 1.00 25.00 H new ATOM 0 HB3 GLN A 40 8.057 10.774 -21.630 1.00 25.00 H new ATOM 0 HG2 GLN A 40 9.347 11.725 -19.742 1.00 25.00 H new ATOM 0 HG3 GLN A 40 10.513 10.425 -19.876 1.00 25.00 H new ATOM 0 HE21 GLN A 40 9.794 13.547 -20.763 1.00 25.00 H new ATOM 0 HE22 GLN A 40 10.917 13.726 -22.115 1.00 25.00 H new ATOM 653 N LEU A 41 5.964 10.682 -19.641 1.00 25.00 N ATOM 654 CA LEU A 41 5.088 11.552 -18.858 1.00 25.00 C ATOM 655 C LEU A 41 4.536 10.841 -17.626 1.00 25.00 C ATOM 656 O LEU A 41 4.409 11.437 -16.553 1.00 25.00 O ATOM 657 CB LEU A 41 3.887 12.042 -19.685 1.00 25.00 C ATOM 658 CG LEU A 41 4.126 12.865 -20.969 1.00 25.00 C ATOM 659 CD1 LEU A 41 2.809 13.283 -21.567 1.00 25.00 C ATOM 660 CD2 LEU A 41 4.953 14.089 -20.698 1.00 25.00 C ATOM 0 H LEU A 41 5.609 10.457 -20.570 1.00 25.00 H new ATOM 0 HA LEU A 41 5.706 12.397 -18.556 1.00 25.00 H new ATOM 0 HB2 LEU A 41 3.305 11.164 -19.965 1.00 25.00 H new ATOM 0 HB3 LEU A 41 3.261 12.643 -19.025 1.00 25.00 H new ATOM 0 HG LEU A 41 4.670 12.229 -21.668 1.00 25.00 H new ATOM 0 HD11 LEU A 41 2.988 13.863 -22.472 1.00 25.00 H new ATOM 0 HD12 LEU A 41 2.224 12.397 -21.814 1.00 25.00 H new ATOM 0 HD13 LEU A 41 2.260 13.892 -20.849 1.00 25.00 H new ATOM 0 HD21 LEU A 41 5.099 14.642 -21.626 1.00 25.00 H new ATOM 0 HD22 LEU A 41 4.439 14.723 -19.975 1.00 25.00 H new ATOM 0 HD23 LEU A 41 5.922 13.792 -20.296 1.00 25.00 H new ATOM 672 N GLN A 42 4.228 9.566 -17.769 1.00 25.00 N ATOM 673 CA GLN A 42 3.704 8.789 -16.650 1.00 25.00 C ATOM 674 C GLN A 42 4.776 8.594 -15.593 1.00 25.00 C ATOM 675 O GLN A 42 4.516 8.750 -14.412 1.00 25.00 O ATOM 676 CB GLN A 42 3.153 7.458 -17.173 1.00 25.00 C ATOM 677 CG GLN A 42 1.832 7.658 -17.935 1.00 25.00 C ATOM 678 CD GLN A 42 1.338 6.426 -18.623 1.00 25.00 C ATOM 679 OE1 GLN A 42 2.097 5.529 -18.956 1.00 25.00 O ATOM 680 NE2 GLN A 42 0.057 6.364 -18.860 1.00 25.00 N ATOM 0 H GLN A 42 4.329 9.045 -18.640 1.00 25.00 H new ATOM 0 HA GLN A 42 2.886 9.328 -16.173 1.00 25.00 H new ATOM 0 HB2 GLN A 42 3.887 6.992 -17.830 1.00 25.00 H new ATOM 0 HB3 GLN A 42 2.994 6.775 -16.338 1.00 25.00 H new ATOM 0 HG2 GLN A 42 1.070 8.003 -17.237 1.00 25.00 H new ATOM 0 HG3 GLN A 42 1.967 8.447 -18.675 1.00 25.00 H new ATOM 0 HE21 GLN A 42 -0.553 7.129 -18.570 1.00 25.00 H new ATOM 0 HE22 GLN A 42 -0.335 5.551 -19.335 1.00 25.00 H new ATOM 689 N GLU A 43 6.004 8.315 -15.978 1.00 25.00 N ATOM 690 CA GLU A 43 7.095 8.175 -14.985 1.00 25.00 C ATOM 691 C GLU A 43 7.457 9.512 -14.375 1.00 25.00 C ATOM 692 O GLU A 43 7.771 9.574 -13.186 1.00 25.00 O ATOM 693 CB GLU A 43 8.329 7.513 -15.611 1.00 25.00 C ATOM 694 CG GLU A 43 8.085 6.034 -15.919 1.00 25.00 C ATOM 695 CD GLU A 43 9.382 5.247 -16.107 1.00 25.00 C ATOM 696 OE1 GLU A 43 10.193 5.223 -15.196 1.00 25.00 O ATOM 697 OE2 GLU A 43 9.585 4.637 -17.188 1.00 25.00 O ATOM 0 H GLU A 43 6.287 8.179 -16.948 1.00 25.00 H new ATOM 0 HA GLU A 43 6.731 7.529 -14.186 1.00 25.00 H new ATOM 0 HB2 GLU A 43 8.596 8.036 -16.529 1.00 25.00 H new ATOM 0 HB3 GLU A 43 9.176 7.608 -14.932 1.00 25.00 H new ATOM 0 HG2 GLU A 43 7.509 5.589 -15.108 1.00 25.00 H new ATOM 0 HG3 GLU A 43 7.480 5.950 -16.822 1.00 25.00 H new ATOM 704 N GLN A 44 7.337 10.585 -15.149 1.00 25.00 N ATOM 705 CA GLN A 44 7.560 11.929 -14.617 1.00 25.00 C ATOM 706 C GLN A 44 6.581 12.203 -13.458 1.00 25.00 C ATOM 707 O GLN A 44 6.950 12.684 -12.385 1.00 25.00 O ATOM 708 CB GLN A 44 7.364 12.949 -15.736 1.00 25.00 C ATOM 709 CG GLN A 44 7.543 14.405 -15.311 1.00 25.00 C ATOM 710 CD GLN A 44 7.253 15.359 -16.453 1.00 25.00 C ATOM 711 OE1 GLN A 44 6.238 15.252 -17.121 1.00 25.00 O ATOM 712 NE2 GLN A 44 8.126 16.299 -16.669 1.00 25.00 N ATOM 0 H GLN A 44 7.089 10.554 -16.138 1.00 25.00 H new ATOM 0 HA GLN A 44 8.577 12.010 -14.234 1.00 25.00 H new ATOM 0 HB2 GLN A 44 8.070 12.729 -16.537 1.00 25.00 H new ATOM 0 HB3 GLN A 44 6.363 12.826 -16.150 1.00 25.00 H new ATOM 0 HG2 GLN A 44 6.879 14.625 -14.475 1.00 25.00 H new ATOM 0 HG3 GLN A 44 8.563 14.559 -14.958 1.00 25.00 H new ATOM 0 HE21 GLN A 44 8.964 16.359 -16.091 1.00 25.00 H new ATOM 0 HE22 GLN A 44 7.972 16.976 -17.416 1.00 25.00 H new ATOM 721 N HIS A 45 5.302 11.919 -13.686 1.00 25.00 N ATOM 722 CA HIS A 45 4.289 12.146 -12.639 1.00 25.00 C ATOM 723 C HIS A 45 4.390 11.110 -11.521 1.00 25.00 C ATOM 724 O HIS A 45 4.071 11.414 -10.351 1.00 25.00 O ATOM 725 CB HIS A 45 2.871 12.150 -13.216 1.00 25.00 C ATOM 726 CG HIS A 45 2.562 13.382 -14.009 1.00 25.00 C ATOM 727 ND1 HIS A 45 2.911 13.566 -15.327 1.00 25.00 N ATOM 728 CD2 HIS A 45 1.898 14.522 -13.658 1.00 25.00 C ATOM 729 CE1 HIS A 45 2.503 14.773 -15.713 1.00 25.00 C ATOM 730 NE2 HIS A 45 1.845 15.394 -14.750 1.00 25.00 N ATOM 0 H HIS A 45 4.940 11.540 -14.561 1.00 25.00 H new ATOM 0 HA HIS A 45 4.494 13.130 -12.218 1.00 25.00 H new ATOM 0 HB2 HIS A 45 2.742 11.274 -13.852 1.00 25.00 H new ATOM 0 HB3 HIS A 45 2.153 12.061 -12.401 1.00 25.00 H new ATOM 0 HD1 HIS A 45 3.401 12.889 -15.912 1.00 25.00 H new ATOM 0 HD2 HIS A 45 1.477 14.721 -12.683 1.00 25.00 H new ATOM 0 HE1 HIS A 45 2.687 15.192 -16.691 1.00 25.00 H new ATOM 738 N TYR A 46 4.888 9.914 -11.817 1.00 25.00 N ATOM 739 CA TYR A 46 5.064 8.928 -10.769 1.00 25.00 C ATOM 740 C TYR A 46 6.117 9.398 -9.786 1.00 25.00 C ATOM 741 O TYR A 46 5.980 9.190 -8.580 1.00 25.00 O ATOM 742 CB TYR A 46 5.447 7.543 -11.304 1.00 25.00 C ATOM 743 CG TYR A 46 5.335 6.512 -10.223 1.00 25.00 C ATOM 744 CD1 TYR A 46 4.087 6.256 -9.619 1.00 25.00 C ATOM 745 CD2 TYR A 46 6.462 5.815 -9.756 1.00 25.00 C ATOM 746 CE1 TYR A 46 3.968 5.316 -8.569 1.00 25.00 C ATOM 747 CE2 TYR A 46 6.342 4.860 -8.688 1.00 25.00 C ATOM 748 CZ TYR A 46 5.088 4.632 -8.121 1.00 25.00 C ATOM 749 OH TYR A 46 4.930 3.733 -7.108 1.00 25.00 O ATOM 0 H TYR A 46 5.169 9.613 -12.750 1.00 25.00 H new ATOM 0 HA TYR A 46 4.099 8.826 -10.273 1.00 25.00 H new ATOM 0 HB2 TYR A 46 4.797 7.276 -12.137 1.00 25.00 H new ATOM 0 HB3 TYR A 46 6.466 7.565 -11.689 1.00 25.00 H new ATOM 0 HD1 TYR A 46 3.210 6.785 -9.963 1.00 25.00 H new ATOM 0 HD2 TYR A 46 7.428 5.998 -10.204 1.00 25.00 H new ATOM 0 HE1 TYR A 46 3.005 5.131 -8.116 1.00 25.00 H new ATOM 0 HE2 TYR A 46 7.210 4.327 -8.330 1.00 25.00 H new ATOM 0 HH TYR A 46 4.521 2.914 -7.458 1.00 25.00 H new ATOM 759 N GLN A 47 7.147 10.062 -10.285 1.00 25.00 N ATOM 760 CA GLN A 47 8.189 10.618 -9.402 1.00 25.00 C ATOM 761 C GLN A 47 7.593 11.703 -8.504 1.00 25.00 C ATOM 762 O GLN A 47 7.920 11.774 -7.334 1.00 25.00 O ATOM 763 CB GLN A 47 9.340 11.183 -10.228 1.00 25.00 C ATOM 764 CG GLN A 47 10.155 10.109 -10.932 1.00 25.00 C ATOM 765 CD GLN A 47 11.134 10.704 -11.937 1.00 25.00 C ATOM 766 OE1 GLN A 47 12.152 11.255 -11.587 1.00 25.00 O ATOM 767 NE2 GLN A 47 10.825 10.526 -13.198 1.00 25.00 N ATOM 0 H GLN A 47 7.294 10.234 -11.280 1.00 25.00 H new ATOM 0 HA GLN A 47 8.578 9.818 -8.772 1.00 25.00 H new ATOM 0 HB2 GLN A 47 8.941 11.873 -10.971 1.00 25.00 H new ATOM 0 HB3 GLN A 47 9.997 11.760 -9.577 1.00 25.00 H new ATOM 0 HG2 GLN A 47 10.704 9.527 -10.192 1.00 25.00 H new ATOM 0 HG3 GLN A 47 9.483 9.421 -11.444 1.00 25.00 H new ATOM 0 HE21 GLN A 47 9.955 10.056 -13.448 1.00 25.00 H new ATOM 0 HE22 GLN A 47 11.454 10.858 -13.929 1.00 25.00 H new ATOM 776 N GLN A 48 6.696 12.518 -9.050 1.00 25.00 N ATOM 777 CA GLN A 48 6.019 13.560 -8.265 1.00 25.00 C ATOM 778 C GLN A 48 5.187 12.932 -7.150 1.00 25.00 C ATOM 779 O GLN A 48 5.279 13.325 -5.986 1.00 25.00 O ATOM 780 CB GLN A 48 5.126 14.416 -9.159 1.00 25.00 C ATOM 781 CG GLN A 48 4.445 15.584 -8.439 1.00 25.00 C ATOM 782 CD GLN A 48 3.476 16.324 -9.356 1.00 25.00 C ATOM 783 OE1 GLN A 48 2.438 15.813 -9.724 1.00 25.00 O ATOM 784 NE2 GLN A 48 3.827 17.533 -9.718 1.00 25.00 N ATOM 0 H GLN A 48 6.417 12.482 -10.031 1.00 25.00 H new ATOM 0 HA GLN A 48 6.783 14.198 -7.821 1.00 25.00 H new ATOM 0 HB2 GLN A 48 5.725 14.810 -9.980 1.00 25.00 H new ATOM 0 HB3 GLN A 48 4.359 13.780 -9.601 1.00 25.00 H new ATOM 0 HG2 GLN A 48 3.908 15.211 -7.567 1.00 25.00 H new ATOM 0 HG3 GLN A 48 5.202 16.278 -8.074 1.00 25.00 H new ATOM 0 HE21 GLN A 48 4.707 17.929 -9.388 1.00 25.00 H new ATOM 0 HE22 GLN A 48 3.220 18.079 -10.330 1.00 25.00 H new ATOM 793 N TYR A 49 4.421 11.905 -7.502 1.00 25.00 N ATOM 794 CA TYR A 49 3.554 11.230 -6.548 1.00 25.00 C ATOM 795 C TYR A 49 4.376 10.544 -5.451 1.00 25.00 C ATOM 796 O TYR A 49 4.010 10.569 -4.281 1.00 25.00 O ATOM 797 CB TYR A 49 2.722 10.179 -7.291 1.00 25.00 C ATOM 798 CG TYR A 49 1.561 9.642 -6.486 1.00 25.00 C ATOM 799 CD1 TYR A 49 0.430 10.452 -6.222 1.00 25.00 C ATOM 800 CD2 TYR A 49 1.600 8.332 -5.962 1.00 25.00 C ATOM 801 CE1 TYR A 49 -0.665 9.953 -5.459 1.00 25.00 C ATOM 802 CE2 TYR A 49 0.507 7.822 -5.212 1.00 25.00 C ATOM 803 CZ TYR A 49 -0.604 8.647 -4.960 1.00 25.00 C ATOM 804 OH TYR A 49 -1.643 8.176 -4.227 1.00 25.00 O ATOM 0 H TYR A 49 4.384 11.522 -8.446 1.00 25.00 H new ATOM 0 HA TYR A 49 2.904 11.969 -6.079 1.00 25.00 H new ATOM 0 HB2 TYR A 49 2.341 10.616 -8.214 1.00 25.00 H new ATOM 0 HB3 TYR A 49 3.370 9.350 -7.575 1.00 25.00 H new ATOM 0 HD1 TYR A 49 0.397 11.462 -6.604 1.00 25.00 H new ATOM 0 HD2 TYR A 49 2.468 7.712 -6.133 1.00 25.00 H new ATOM 0 HE1 TYR A 49 -1.529 10.573 -5.269 1.00 25.00 H new ATOM 0 HE2 TYR A 49 0.529 6.809 -4.838 1.00 25.00 H new ATOM 0 HH TYR A 49 -1.457 7.254 -3.951 1.00 25.00 H new ATOM 814 N MET A 50 5.510 9.968 -5.819 1.00 25.00 N ATOM 815 CA MET A 50 6.361 9.321 -4.854 1.00 25.00 C ATOM 816 C MET A 50 7.001 10.329 -3.896 1.00 25.00 C ATOM 817 O MET A 50 7.107 10.081 -2.696 1.00 25.00 O ATOM 818 CB MET A 50 7.445 8.494 -5.571 1.00 25.00 C ATOM 819 CG MET A 50 8.023 7.376 -4.704 1.00 25.00 C ATOM 820 SD MET A 50 7.302 5.727 -5.072 1.00 25.00 S ATOM 821 CE MET A 50 5.512 5.961 -4.667 1.00 25.00 C ATOM 0 H MET A 50 5.855 9.940 -6.779 1.00 25.00 H new ATOM 0 HA MET A 50 5.740 8.653 -4.258 1.00 25.00 H new ATOM 0 HB2 MET A 50 7.022 8.060 -6.477 1.00 25.00 H new ATOM 0 HB3 MET A 50 8.252 9.157 -5.882 1.00 25.00 H new ATOM 0 HG2 MET A 50 9.102 7.334 -4.849 1.00 25.00 H new ATOM 0 HG3 MET A 50 7.852 7.614 -3.654 1.00 25.00 H new ATOM 0 HE1 MET A 50 4.990 5.009 -4.764 1.00 25.00 H new ATOM 0 HE2 MET A 50 5.415 6.325 -3.644 1.00 25.00 H new ATOM 0 HE3 MET A 50 5.075 6.686 -5.353 1.00 25.00 H new ATOM 831 N GLN A 51 7.403 11.487 -4.406 1.00 25.00 N ATOM 832 CA GLN A 51 7.966 12.531 -3.532 1.00 25.00 C ATOM 833 C GLN A 51 6.887 13.154 -2.668 1.00 25.00 C ATOM 834 O GLN A 51 7.119 13.448 -1.495 1.00 25.00 O ATOM 835 CB GLN A 51 8.683 13.608 -4.362 1.00 25.00 C ATOM 836 CG GLN A 51 10.019 13.124 -4.949 1.00 25.00 C ATOM 837 CD GLN A 51 10.990 12.683 -3.868 1.00 25.00 C ATOM 838 OE1 GLN A 51 11.007 13.227 -2.779 1.00 25.00 O ATOM 839 NE2 GLN A 51 11.787 11.704 -4.156 1.00 25.00 N ATOM 0 H GLN A 51 7.356 11.732 -5.395 1.00 25.00 H new ATOM 0 HA GLN A 51 8.698 12.061 -2.875 1.00 25.00 H new ATOM 0 HB2 GLN A 51 8.030 13.927 -5.174 1.00 25.00 H new ATOM 0 HB3 GLN A 51 8.863 14.482 -3.736 1.00 25.00 H new ATOM 0 HG2 GLN A 51 9.835 12.294 -5.632 1.00 25.00 H new ATOM 0 HG3 GLN A 51 10.469 13.925 -5.535 1.00 25.00 H new ATOM 0 HE21 GLN A 51 11.748 11.269 -5.078 1.00 25.00 H new ATOM 0 HE22 GLN A 51 12.454 11.368 -3.461 1.00 25.00 H new ATOM 848 N GLN A 52 5.688 13.282 -3.204 1.00 25.00 N ATOM 849 CA GLN A 52 4.557 13.754 -2.399 1.00 25.00 C ATOM 850 C GLN A 52 4.314 12.807 -1.233 1.00 25.00 C ATOM 851 O GLN A 52 4.180 13.250 -0.104 1.00 25.00 O ATOM 852 CB GLN A 52 3.305 13.878 -3.266 1.00 25.00 C ATOM 853 CG GLN A 52 2.127 14.479 -2.525 1.00 25.00 C ATOM 854 CD GLN A 52 0.917 14.605 -3.408 1.00 25.00 C ATOM 855 OE1 GLN A 52 0.675 13.764 -4.274 1.00 25.00 O ATOM 856 NE2 GLN A 52 0.124 15.618 -3.173 1.00 25.00 N ATOM 0 H GLN A 52 5.465 13.072 -4.177 1.00 25.00 H new ATOM 0 HA GLN A 52 4.794 14.740 -1.999 1.00 25.00 H new ATOM 0 HB2 GLN A 52 3.532 14.494 -4.136 1.00 25.00 H new ATOM 0 HB3 GLN A 52 3.028 12.891 -3.638 1.00 25.00 H new ATOM 0 HG2 GLN A 52 1.885 13.858 -1.663 1.00 25.00 H new ATOM 0 HG3 GLN A 52 2.402 15.462 -2.142 1.00 25.00 H new ATOM 0 HE21 GLN A 52 0.361 16.293 -2.446 1.00 25.00 H new ATOM 0 HE22 GLN A 52 -0.731 15.733 -3.717 1.00 25.00 H new ATOM 865 N LEU A 53 4.306 11.522 -1.507 1.00 25.00 N ATOM 866 CA LEU A 53 4.086 10.507 -0.472 1.00 25.00 C ATOM 867 C LEU A 53 5.218 10.497 0.568 1.00 25.00 C ATOM 868 O LEU A 53 4.970 10.206 1.719 1.00 25.00 O ATOM 869 CB LEU A 53 3.942 9.111 -1.073 1.00 25.00 C ATOM 870 CG LEU A 53 2.574 8.824 -1.725 1.00 25.00 C ATOM 871 CD1 LEU A 53 2.656 7.488 -2.444 1.00 25.00 C ATOM 872 CD2 LEU A 53 1.447 8.805 -0.686 1.00 25.00 C ATOM 0 H LEU A 53 4.449 11.141 -2.442 1.00 25.00 H new ATOM 0 HA LEU A 53 3.154 10.776 0.026 1.00 25.00 H new ATOM 0 HB2 LEU A 53 4.722 8.971 -1.822 1.00 25.00 H new ATOM 0 HB3 LEU A 53 4.117 8.374 -0.289 1.00 25.00 H new ATOM 0 HG LEU A 53 2.342 9.620 -2.433 1.00 25.00 H new ATOM 0 HD11 LEU A 53 1.697 7.267 -2.912 1.00 25.00 H new ATOM 0 HD12 LEU A 53 3.431 7.533 -3.209 1.00 25.00 H new ATOM 0 HD13 LEU A 53 2.899 6.703 -1.727 1.00 25.00 H new ATOM 0 HD21 LEU A 53 0.498 8.600 -1.182 1.00 25.00 H new ATOM 0 HD22 LEU A 53 1.646 8.028 0.052 1.00 25.00 H new ATOM 0 HD23 LEU A 53 1.394 9.773 -0.188 1.00 25.00 H new ATOM 884 N TYR A 54 6.410 10.848 0.160 1.00 25.00 N ATOM 885 CA TYR A 54 7.548 10.900 1.056 1.00 25.00 C ATOM 886 C TYR A 54 7.303 11.991 2.114 1.00 25.00 C ATOM 887 O TYR A 54 7.614 11.815 3.289 1.00 25.00 O ATOM 888 CB TYR A 54 8.838 11.184 0.253 1.00 25.00 C ATOM 889 CG TYR A 54 9.825 12.117 0.919 1.00 25.00 C ATOM 890 CD1 TYR A 54 10.634 11.691 1.991 1.00 25.00 C ATOM 891 CD2 TYR A 54 9.949 13.467 0.490 1.00 25.00 C ATOM 892 CE1 TYR A 54 11.548 12.558 2.585 1.00 25.00 C ATOM 893 CE2 TYR A 54 10.840 14.338 1.085 1.00 25.00 C ATOM 894 CZ TYR A 54 11.656 13.878 2.118 1.00 25.00 C ATOM 895 OH TYR A 54 12.555 14.738 2.691 1.00 25.00 O ATOM 0 H TYR A 54 6.625 11.107 -0.803 1.00 25.00 H new ATOM 0 HA TYR A 54 7.671 9.941 1.560 1.00 25.00 H new ATOM 0 HB2 TYR A 54 9.338 10.236 0.054 1.00 25.00 H new ATOM 0 HB3 TYR A 54 8.559 11.606 -0.712 1.00 25.00 H new ATOM 0 HD1 TYR A 54 10.544 10.679 2.357 1.00 25.00 H new ATOM 0 HD2 TYR A 54 9.331 13.820 -0.322 1.00 25.00 H new ATOM 0 HE1 TYR A 54 12.170 12.217 3.400 1.00 25.00 H new ATOM 0 HE2 TYR A 54 10.904 15.364 0.754 1.00 25.00 H new ATOM 0 HH TYR A 54 12.501 15.611 2.248 1.00 25.00 H new ATOM 905 N GLN A 55 6.705 13.094 1.713 1.00 25.00 N ATOM 906 CA GLN A 55 6.376 14.149 2.666 1.00 25.00 C ATOM 907 C GLN A 55 5.221 13.718 3.577 1.00 25.00 C ATOM 908 O GLN A 55 5.188 14.052 4.769 1.00 25.00 O ATOM 909 CB GLN A 55 6.035 15.460 1.957 1.00 25.00 C ATOM 910 CG GLN A 55 7.167 15.921 1.060 1.00 25.00 C ATOM 911 CD GLN A 55 6.886 17.285 0.458 1.00 25.00 C ATOM 912 OE1 GLN A 55 7.545 18.270 0.771 1.00 25.00 O ATOM 913 NE2 GLN A 55 5.906 17.339 -0.412 1.00 25.00 N ATOM 0 H GLN A 55 6.437 13.288 0.748 1.00 25.00 H new ATOM 0 HA GLN A 55 7.260 14.322 3.281 1.00 25.00 H new ATOM 0 HB2 GLN A 55 5.130 15.328 1.363 1.00 25.00 H new ATOM 0 HB3 GLN A 55 5.821 16.230 2.698 1.00 25.00 H new ATOM 0 HG2 GLN A 55 8.093 15.960 1.634 1.00 25.00 H new ATOM 0 HG3 GLN A 55 7.317 15.195 0.261 1.00 25.00 H new ATOM 0 HE21 GLN A 55 5.383 16.495 -0.644 1.00 25.00 H new ATOM 0 HE22 GLN A 55 5.667 18.225 -0.857 1.00 25.00 H new ATOM 922 N VAL A 56 4.298 12.953 3.026 1.00 25.00 N ATOM 923 CA VAL A 56 3.169 12.443 3.833 1.00 25.00 C ATOM 924 C VAL A 56 3.707 11.465 4.855 1.00 25.00 C ATOM 925 O VAL A 56 3.283 11.425 6.010 1.00 25.00 O ATOM 926 CB VAL A 56 2.089 11.772 2.941 1.00 25.00 C ATOM 927 CG1 VAL A 56 0.922 11.180 3.763 1.00 25.00 C ATOM 928 CG2 VAL A 56 1.523 12.802 1.929 1.00 25.00 C ATOM 0 H VAL A 56 4.292 12.667 2.047 1.00 25.00 H new ATOM 0 HA VAL A 56 2.686 13.279 4.340 1.00 25.00 H new ATOM 0 HB VAL A 56 2.578 10.950 2.418 1.00 25.00 H new ATOM 0 HG11 VAL A 56 0.197 10.724 3.089 1.00 25.00 H new ATOM 0 HG12 VAL A 56 1.306 10.424 4.448 1.00 25.00 H new ATOM 0 HG13 VAL A 56 0.439 11.974 4.333 1.00 25.00 H new ATOM 0 HG21 VAL A 56 0.766 12.323 1.307 1.00 25.00 H new ATOM 0 HG22 VAL A 56 1.074 13.635 2.470 1.00 25.00 H new ATOM 0 HG23 VAL A 56 2.330 13.173 1.297 1.00 25.00 H new ATOM 938 N GLN A 57 4.717 10.700 4.474 1.00 25.00 N ATOM 939 CA GLN A 57 5.371 9.784 5.400 1.00 25.00 C ATOM 940 C GLN A 57 5.984 10.554 6.566 1.00 25.00 C ATOM 941 O GLN A 57 5.781 10.197 7.699 1.00 25.00 O ATOM 942 CB GLN A 57 6.474 9.007 4.692 1.00 25.00 C ATOM 943 CG GLN A 57 6.028 7.687 4.111 1.00 25.00 C ATOM 944 CD GLN A 57 6.660 6.515 4.828 1.00 25.00 C ATOM 945 OE1 GLN A 57 7.856 6.337 4.805 1.00 25.00 O ATOM 946 NE2 GLN A 57 5.836 5.686 5.441 1.00 25.00 N ATOM 0 H GLN A 57 5.103 10.694 3.530 1.00 25.00 H new ATOM 0 HA GLN A 57 4.618 9.091 5.774 1.00 25.00 H new ATOM 0 HB2 GLN A 57 6.881 9.624 3.891 1.00 25.00 H new ATOM 0 HB3 GLN A 57 7.285 8.825 5.397 1.00 25.00 H new ATOM 0 HG2 GLN A 57 4.943 7.610 4.175 1.00 25.00 H new ATOM 0 HG3 GLN A 57 6.288 7.649 3.053 1.00 25.00 H new ATOM 0 HE21 GLN A 57 4.833 5.870 5.439 1.00 25.00 H new ATOM 0 HE22 GLN A 57 6.203 4.862 5.917 1.00 25.00 H new ATOM 955 N LEU A 58 6.682 11.637 6.276 1.00 25.00 N ATOM 956 CA LEU A 58 7.299 12.454 7.337 1.00 25.00 C ATOM 957 C LEU A 58 6.246 13.098 8.225 1.00 25.00 C ATOM 958 O LEU A 58 6.441 13.236 9.442 1.00 25.00 O ATOM 959 CB LEU A 58 8.203 13.541 6.755 1.00 25.00 C ATOM 960 CG LEU A 58 9.503 13.078 6.070 1.00 25.00 C ATOM 961 CD1 LEU A 58 10.169 14.308 5.469 1.00 25.00 C ATOM 962 CD2 LEU A 58 10.442 12.402 7.041 1.00 25.00 C ATOM 0 H LEU A 58 6.842 11.979 5.329 1.00 25.00 H new ATOM 0 HA LEU A 58 7.905 11.777 7.939 1.00 25.00 H new ATOM 0 HB2 LEU A 58 7.623 14.111 6.030 1.00 25.00 H new ATOM 0 HB3 LEU A 58 8.470 14.226 7.560 1.00 25.00 H new ATOM 0 HG LEU A 58 9.264 12.344 5.301 1.00 25.00 H new ATOM 0 HD11 LEU A 58 11.095 14.015 4.975 1.00 25.00 H new ATOM 0 HD12 LEU A 58 9.499 14.766 4.742 1.00 25.00 H new ATOM 0 HD13 LEU A 58 10.391 15.025 6.260 1.00 25.00 H new ATOM 0 HD21 LEU A 58 11.346 12.091 6.517 1.00 25.00 H new ATOM 0 HD22 LEU A 58 10.706 13.098 7.837 1.00 25.00 H new ATOM 0 HD23 LEU A 58 9.953 11.528 7.471 1.00 25.00 H new ATOM 974 N ALA A 59 5.115 13.469 7.617 1.00 25.00 N ATOM 975 CA ALA A 59 4.021 14.060 8.361 1.00 25.00 C ATOM 976 C ALA A 59 3.506 13.061 9.392 1.00 25.00 C ATOM 977 O ALA A 59 3.266 13.412 10.544 1.00 25.00 O ATOM 978 CB ALA A 59 2.888 14.519 7.436 1.00 25.00 C ATOM 0 H ALA A 59 4.942 13.367 6.617 1.00 25.00 H new ATOM 0 HA ALA A 59 4.395 14.947 8.873 1.00 25.00 H new ATOM 0 HB1 ALA A 59 2.087 14.956 8.032 1.00 25.00 H new ATOM 0 HB2 ALA A 59 3.268 15.264 6.737 1.00 25.00 H new ATOM 0 HB3 ALA A 59 2.502 13.664 6.881 1.00 25.00 H new ATOM 984 N GLN A 60 3.361 11.811 8.989 1.00 25.00 N ATOM 985 CA GLN A 60 2.887 10.785 9.919 1.00 25.00 C ATOM 986 C GLN A 60 3.981 10.435 10.931 1.00 25.00 C ATOM 987 O GLN A 60 3.680 10.102 12.075 1.00 25.00 O ATOM 988 CB GLN A 60 2.487 9.521 9.171 1.00 25.00 C ATOM 989 CG GLN A 60 1.251 9.705 8.319 1.00 25.00 C ATOM 990 CD GLN A 60 0.628 8.365 7.919 1.00 25.00 C ATOM 991 OE1 GLN A 60 -0.040 7.725 8.706 1.00 25.00 O ATOM 992 NE2 GLN A 60 0.837 7.976 6.692 1.00 25.00 N ATOM 0 H GLN A 60 3.558 11.480 8.045 1.00 25.00 H new ATOM 0 HA GLN A 60 2.018 11.186 10.441 1.00 25.00 H new ATOM 0 HB2 GLN A 60 3.315 9.203 8.537 1.00 25.00 H new ATOM 0 HB3 GLN A 60 2.310 8.721 9.890 1.00 25.00 H new ATOM 0 HG2 GLN A 60 0.518 10.297 8.866 1.00 25.00 H new ATOM 0 HG3 GLN A 60 1.509 10.267 7.422 1.00 25.00 H new ATOM 0 HE21 GLN A 60 1.405 8.547 6.066 1.00 25.00 H new ATOM 0 HE22 GLN A 60 0.432 7.101 6.358 1.00 25.00 H new ATOM 1001 N GLN A 61 5.233 10.499 10.513 1.00 25.00 N ATOM 1002 CA GLN A 61 6.334 10.209 11.435 1.00 25.00 C ATOM 1003 C GLN A 61 6.338 11.185 12.593 1.00 25.00 C ATOM 1004 O GLN A 61 6.472 10.782 13.742 1.00 25.00 O ATOM 1005 CB GLN A 61 7.693 10.256 10.733 1.00 25.00 C ATOM 1006 CG GLN A 61 7.951 9.100 9.764 1.00 25.00 C ATOM 1007 CD GLN A 61 8.788 7.998 10.382 1.00 25.00 C ATOM 1008 OE1 GLN A 61 9.971 7.873 10.141 1.00 25.00 O ATOM 1009 NE2 GLN A 61 8.164 7.192 11.181 1.00 25.00 N ATOM 0 H GLN A 61 5.516 10.743 9.564 1.00 25.00 H new ATOM 0 HA GLN A 61 6.173 9.198 11.809 1.00 25.00 H new ATOM 0 HB2 GLN A 61 7.772 11.196 10.186 1.00 25.00 H new ATOM 0 HB3 GLN A 61 8.478 10.260 11.489 1.00 25.00 H new ATOM 0 HG2 GLN A 61 6.998 8.686 9.435 1.00 25.00 H new ATOM 0 HG3 GLN A 61 8.456 9.481 8.876 1.00 25.00 H new ATOM 0 HE21 GLN A 61 7.169 7.324 11.363 1.00 25.00 H new ATOM 0 HE22 GLN A 61 8.667 6.426 11.628 1.00 25.00 H new ATOM 1018 N GLN A 62 6.147 12.475 12.315 1.00 25.00 N ATOM 1019 CA GLN A 62 6.158 13.464 13.372 1.00 25.00 C ATOM 1020 C GLN A 62 4.874 13.414 14.206 1.00 25.00 C ATOM 1021 O GLN A 62 4.902 13.787 15.370 1.00 25.00 O ATOM 1022 CB GLN A 62 6.425 14.886 12.841 1.00 25.00 C ATOM 1023 CG GLN A 62 5.324 15.472 11.982 1.00 25.00 C ATOM 1024 CD GLN A 62 5.634 16.874 11.532 1.00 25.00 C ATOM 1025 OE1 GLN A 62 5.148 17.843 12.078 1.00 25.00 O ATOM 1026 NE2 GLN A 62 6.463 16.993 10.541 1.00 25.00 N ATOM 0 H GLN A 62 5.986 12.847 11.379 1.00 25.00 H new ATOM 0 HA GLN A 62 6.990 13.208 14.028 1.00 25.00 H new ATOM 0 HB2 GLN A 62 6.592 15.548 13.691 1.00 25.00 H new ATOM 0 HB3 GLN A 62 7.348 14.872 12.261 1.00 25.00 H new ATOM 0 HG2 GLN A 62 5.172 14.838 11.109 1.00 25.00 H new ATOM 0 HG3 GLN A 62 4.390 15.471 12.543 1.00 25.00 H new ATOM 0 HE21 GLN A 62 6.856 16.160 10.102 1.00 25.00 H new ATOM 0 HE22 GLN A 62 6.722 17.919 10.201 1.00 25.00 H new ATOM 1035 N ALA A 63 3.797 12.912 13.621 1.00 25.00 N ATOM 1036 CA ALA A 63 2.535 12.708 14.347 1.00 25.00 C ATOM 1037 C ALA A 63 2.727 11.690 15.469 1.00 25.00 C ATOM 1038 O ALA A 63 2.124 11.808 16.522 1.00 25.00 O ATOM 1039 CB ALA A 63 1.426 12.232 13.374 1.00 25.00 C ATOM 0 H ALA A 63 3.764 12.634 12.640 1.00 25.00 H new ATOM 0 HA ALA A 63 2.229 13.657 14.787 1.00 25.00 H new ATOM 0 HB1 ALA A 63 0.497 12.085 13.925 1.00 25.00 H new ATOM 0 HB2 ALA A 63 1.274 12.984 12.600 1.00 25.00 H new ATOM 0 HB3 ALA A 63 1.726 11.292 12.912 1.00 25.00 H new ATOM 1045 N ALA A 64 3.573 10.688 15.250 1.00 25.00 N ATOM 1046 CA ALA A 64 3.857 9.684 16.267 1.00 25.00 C ATOM 1047 C ALA A 64 4.925 10.192 17.265 1.00 25.00 C ATOM 1048 O ALA A 64 4.875 9.914 18.471 1.00 25.00 O ATOM 1049 CB ALA A 64 4.352 8.398 15.566 1.00 25.00 C ATOM 0 H ALA A 64 4.075 10.551 14.373 1.00 25.00 H new ATOM 0 HA ALA A 64 2.948 9.477 16.832 1.00 25.00 H new ATOM 0 HB1 ALA A 64 4.569 7.636 16.315 1.00 25.00 H new ATOM 0 HB2 ALA A 64 3.580 8.032 14.889 1.00 25.00 H new ATOM 0 HB3 ALA A 64 5.257 8.618 14.999 1.00 25.00 H new ATOM 1055 N LEU A 65 5.907 10.916 16.742 1.00 25.00 N ATOM 1056 CA LEU A 65 7.044 11.378 17.550 1.00 25.00 C ATOM 1057 C LEU A 65 6.625 12.511 18.483 1.00 25.00 C ATOM 1058 O LEU A 65 7.170 12.653 19.568 1.00 25.00 O ATOM 1059 CB LEU A 65 8.181 11.895 16.629 1.00 25.00 C ATOM 1060 CG LEU A 65 8.979 10.815 15.885 1.00 25.00 C ATOM 1061 CD1 LEU A 65 9.815 11.435 14.763 1.00 25.00 C ATOM 1062 CD2 LEU A 65 9.890 10.063 16.832 1.00 25.00 C ATOM 0 H LEU A 65 5.945 11.199 15.763 1.00 25.00 H new ATOM 0 HA LEU A 65 7.395 10.532 18.141 1.00 25.00 H new ATOM 0 HB2 LEU A 65 7.748 12.572 15.893 1.00 25.00 H new ATOM 0 HB3 LEU A 65 8.874 12.481 17.232 1.00 25.00 H new ATOM 0 HG LEU A 65 8.262 10.116 15.455 1.00 25.00 H new ATOM 0 HD11 LEU A 65 10.372 10.652 14.249 1.00 25.00 H new ATOM 0 HD12 LEU A 65 9.157 11.937 14.054 1.00 25.00 H new ATOM 0 HD13 LEU A 65 10.512 12.158 15.186 1.00 25.00 H new ATOM 0 HD21 LEU A 65 10.443 9.304 16.279 1.00 25.00 H new ATOM 0 HD22 LEU A 65 10.591 10.759 17.293 1.00 25.00 H new ATOM 0 HD23 LEU A 65 9.293 9.583 17.607 1.00 25.00 H new ATOM 1074 N GLN A 66 5.702 13.336 18.006 1.00 25.00 N ATOM 1075 CA GLN A 66 5.163 14.498 18.719 1.00 25.00 C ATOM 1076 C GLN A 66 6.220 15.320 19.485 1.00 25.00 C ATOM 1077 O GLN A 66 5.979 15.808 20.601 1.00 25.00 O ATOM 1078 CB GLN A 66 3.944 14.073 19.594 1.00 25.00 C ATOM 1079 CG GLN A 66 4.166 12.983 20.643 1.00 25.00 C ATOM 1080 CD GLN A 66 2.912 12.754 21.470 1.00 25.00 C ATOM 1081 OE1 GLN A 66 1.829 12.479 20.962 1.00 25.00 O ATOM 1082 NE2 GLN A 66 3.046 12.881 22.765 1.00 25.00 N ATOM 0 H GLN A 66 5.291 13.215 17.081 1.00 25.00 H new ATOM 0 HA GLN A 66 4.805 15.200 17.966 1.00 25.00 H new ATOM 0 HB2 GLN A 66 3.574 14.961 20.107 1.00 25.00 H new ATOM 0 HB3 GLN A 66 3.152 13.738 18.925 1.00 25.00 H new ATOM 0 HG2 GLN A 66 4.455 12.054 20.151 1.00 25.00 H new ATOM 0 HG3 GLN A 66 4.990 13.267 21.298 1.00 25.00 H new ATOM 0 HE21 GLN A 66 3.957 13.110 23.163 1.00 25.00 H new ATOM 0 HE22 GLN A 66 2.240 12.751 23.376 1.00 25.00 H new ATOM 1091 N LYS A 67 7.378 15.479 18.858 1.00 25.00 N ATOM 1092 CA LYS A 67 8.500 16.207 19.468 1.00 25.00 C ATOM 1093 C LYS A 67 9.428 16.824 18.402 1.00 25.00 C ATOM 1094 O LYS A 67 10.430 16.206 18.025 1.00 25.00 O ATOM 1095 CB LYS A 67 9.293 15.261 20.400 1.00 25.00 C ATOM 1096 CG LYS A 67 10.249 15.952 21.330 1.00 25.00 C ATOM 1097 CD LYS A 67 9.555 16.596 22.552 1.00 25.00 C ATOM 1098 CE LYS A 67 9.116 15.506 23.546 1.00 25.00 C ATOM 1099 NZ LYS A 67 8.406 16.113 24.736 1.00 25.00 N ATOM 0 H LYS A 67 7.572 15.115 17.925 1.00 25.00 H new ATOM 0 HA LYS A 67 8.091 17.030 20.054 1.00 25.00 H new ATOM 0 HB2 LYS A 67 8.586 14.681 20.993 1.00 25.00 H new ATOM 0 HB3 LYS A 67 9.851 14.553 19.787 1.00 25.00 H new ATOM 0 HG2 LYS A 67 10.990 15.232 21.679 1.00 25.00 H new ATOM 0 HG3 LYS A 67 10.788 16.723 20.779 1.00 25.00 H new ATOM 0 HD2 LYS A 67 10.236 17.293 23.041 1.00 25.00 H new ATOM 0 HD3 LYS A 67 8.689 17.172 22.226 1.00 25.00 H new ATOM 0 HE2 LYS A 67 8.455 14.798 23.046 1.00 25.00 H new ATOM 0 HE3 LYS A 67 9.987 14.945 23.885 1.00 25.00 H new ATOM 0 HZ1 LYS A 67 8.120 15.358 25.392 1.00 25.00 H new ATOM 0 HZ2 LYS A 67 9.047 16.771 25.224 1.00 25.00 H new ATOM 0 HZ3 LYS A 67 7.563 16.628 24.412 1.00 25.00 H new ATOM 1113 N GLN A 68 9.133 18.031 17.966 1.00 25.00 N ATOM 1114 CA GLN A 68 10.010 18.758 17.051 1.00 25.00 C ATOM 1115 C GLN A 68 11.037 19.558 17.859 1.00 25.00 C ATOM 1116 O GLN A 68 11.126 20.765 17.757 1.00 25.00 O ATOM 1117 CB GLN A 68 9.178 19.683 16.171 1.00 25.00 C ATOM 1118 CG GLN A 68 8.289 18.936 15.180 1.00 25.00 C ATOM 1119 CD GLN A 68 7.395 19.886 14.406 1.00 25.00 C ATOM 1120 OE1 GLN A 68 6.495 20.488 14.963 1.00 25.00 O ATOM 1121 NE2 GLN A 68 7.625 19.995 13.107 1.00 25.00 N ATOM 0 H GLN A 68 8.288 18.538 18.229 1.00 25.00 H new ATOM 0 HA GLN A 68 10.540 18.054 16.409 1.00 25.00 H new ATOM 0 HB2 GLN A 68 8.554 20.312 16.805 1.00 25.00 H new ATOM 0 HB3 GLN A 68 9.845 20.347 15.621 1.00 25.00 H new ATOM 0 HG2 GLN A 68 8.912 18.373 14.484 1.00 25.00 H new ATOM 0 HG3 GLN A 68 7.675 18.212 15.715 1.00 25.00 H new ATOM 0 HE21 GLN A 68 8.390 19.473 12.679 1.00 25.00 H new ATOM 0 HE22 GLN A 68 7.037 20.601 12.534 1.00 25.00 H new ATOM 1130 N GLN A 69 11.790 18.822 18.715 1.00 25.00 N ATOM 1131 CA GLN A 69 12.765 19.387 19.623 1.00 25.00 C ATOM 1132 C GLN A 69 13.985 18.488 19.720 1.00 25.00 C ATOM 1133 O GLN A 69 13.941 17.296 19.973 1.00 25.00 O ATOM 1134 CB GLN A 69 12.191 19.592 21.040 1.00 25.00 C ATOM 1135 CG GLN A 69 11.098 20.657 21.112 1.00 25.00 C ATOM 1136 CD GLN A 69 10.592 20.825 22.490 1.00 25.00 C ATOM 1137 OE1 GLN A 69 11.297 20.837 23.456 1.00 25.00 O ATOM 1138 NE2 GLN A 69 9.273 20.893 22.637 1.00 25.00 N ATOM 1139 OXT GLN A 69 15.110 19.112 19.562 1.00 25.00 O ATOM 0 H GLN A 69 11.720 17.806 18.779 1.00 25.00 H new ATOM 0 HA GLN A 69 13.043 20.360 19.217 1.00 25.00 H new ATOM 0 HB2 GLN A 69 11.788 18.645 21.399 1.00 25.00 H new ATOM 0 HB3 GLN A 69 13.001 19.870 21.714 1.00 25.00 H new ATOM 0 HG2 GLN A 69 11.491 21.607 20.750 1.00 25.00 H new ATOM 0 HG3 GLN A 69 10.275 20.380 20.453 1.00 25.00 H new ATOM 0 HE21 GLN A 69 8.667 20.883 21.816 1.00 25.00 H new ATOM 0 HE22 GLN A 69 8.866 20.955 23.570 1.00 25.00 H new TER 1149 GLN A 69