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 48 GLN : amide:sc= -0.914 X(o=-1.4,f=-1.7) USER MOD Set 1.2: A 52 GLN : amide:sc= -0.441 X(o=-1.4,f=-1.7) USER MOD Set 2.1: A 46 TYR OH : rot 45:sc= 0.355 USER MOD Set 2.2: A 50 MET CE :methyl 179:sc= -0.0214 (180deg=-0.0217) USER MOD Set 3.1: A 12 ASN : amide:sc= 0.542 X(o=1.8,f=1.6) USER MOD Set 3.2: A 15 THR OG1 : rot -76:sc= 1.29 USER MOD Set 3.3: A 42 GLN : amide:sc= -0.0722 X(o=1.8,f=1.6) USER MOD Single : A 1 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 1 MET N :NH3+ 172:sc= -0.467 (180deg=-0.598) USER MOD Single : A 2 GLN : amide:sc= 0 K(o=0,f=-1.7!) USER MOD Single : A 3 GLN : amide:sc= -0.954 K(o=-0.95,f=-1.9) USER MOD Single : A 4 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 5 GLN : amide:sc= 0 X(o=0,f=-0.4) USER MOD Single : A 6 GLN : amide:sc=-0.00268 K(o=-0.0027,f=-1.6!) USER MOD Single : A 8 MET CE :methyl -175:sc= 0 (180deg=-0.0217) USER MOD Single : A 13 SER OG : rot 76:sc= 0.195 USER MOD Single : A 14 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 18 GLN : amide:sc= -0.0765 X(o=-0.077,f=-0.38) USER MOD Single : A 20 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 21 GLN : amide:sc= -0.126 X(o=-0.13,f=-0.13) USER MOD Single : A 22 TYR OH : rot 180:sc= 0 USER MOD Single : A 25 GLN : amide:sc= -0.0546 X(o=-0.055,f=0) USER MOD Single : A 26 GLN : amide:sc= -0.0337 X(o=-0.034,f=-0.13) 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= -0.0608 X(o=-0.061,f=-0.3) USER MOD Single : A 34 GLN : amide:sc= 1.09 K(o=1.1,f=-0.54) USER MOD Single : A 35 GLN : amide:sc= -0.104 X(o=-0.1,f=-0.095) USER MOD Single : A 40 GLN : amide:sc= -0.166 X(o=-0.17,f=0) USER MOD Single : A 44 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 45 HIS : no HD1:sc= 0 X(o=0,f=-0.27) USER MOD Single : A 47 GLN : amide:sc=-0.000931 X(o=-0.00093,f=0) USER MOD Single : A 49 TYR OH : rot 180:sc= 0 USER MOD Single : A 51 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 54 TYR OH : rot 180:sc= 0 USER MOD Single : A 55 GLN : amide:sc= 0 K(o=0,f=-0.73) USER MOD Single : A 57 GLN : amide:sc= 0 X(o=0,f=-0.0011) USER MOD Single : A 60 GLN : amide:sc= -0.0993 X(o=-0.099,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=0.000519 X(o=0.00052,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) USER MOD ----------------------------------------------------------------- ATOM 1 N MET A 1 6.974 -5.828 0.084 1.00 25.00 N ATOM 2 CA MET A 1 7.441 -6.524 -1.170 1.00 25.00 C ATOM 3 C MET A 1 7.400 -5.620 -2.398 1.00 25.00 C ATOM 4 O MET A 1 7.784 -5.965 -3.493 1.00 25.00 O ATOM 5 CB MET A 1 6.600 -7.796 -1.387 1.00 25.00 C ATOM 6 CG MET A 1 5.146 -7.443 -1.722 1.00 25.00 C ATOM 7 SD MET A 1 4.110 -8.916 -1.891 1.00 25.00 S ATOM 8 CE MET A 1 3.785 -9.335 -0.148 1.00 25.00 C ATOM 0 H1 MET A 1 6.893 -6.520 0.856 1.00 25.00 H new ATOM 0 H2 MET A 1 7.660 -5.093 0.349 1.00 25.00 H new ATOM 0 H3 MET A 1 6.046 -5.390 -0.087 1.00 25.00 H new ATOM 0 HA MET A 1 8.488 -6.795 -1.034 1.00 25.00 H new ATOM 0 HB2 MET A 1 7.030 -8.387 -2.196 1.00 25.00 H new ATOM 0 HB3 MET A 1 6.630 -8.414 -0.490 1.00 25.00 H new ATOM 0 HG2 MET A 1 4.739 -6.802 -0.940 1.00 25.00 H new ATOM 0 HG3 MET A 1 5.117 -6.871 -2.650 1.00 25.00 H new ATOM 0 HE1 MET A 1 3.157 -10.224 -0.099 1.00 25.00 H new ATOM 0 HE2 MET A 1 4.729 -9.529 0.362 1.00 25.00 H new ATOM 0 HE3 MET A 1 3.275 -8.503 0.337 1.00 25.00 H new ATOM 19 N GLN A 2 6.946 -4.389 -2.087 1.00 25.00 N ATOM 20 CA GLN A 2 6.731 -3.235 -2.984 1.00 25.00 C ATOM 21 C GLN A 2 5.512 -3.414 -3.906 1.00 25.00 C ATOM 22 O GLN A 2 5.374 -4.407 -4.592 1.00 25.00 O ATOM 23 CB GLN A 2 7.945 -2.945 -3.882 1.00 25.00 C ATOM 24 CG GLN A 2 9.256 -2.726 -3.157 1.00 25.00 C ATOM 25 CD GLN A 2 10.356 -2.340 -4.109 1.00 25.00 C ATOM 26 OE1 GLN A 2 10.477 -1.183 -4.495 1.00 25.00 O ATOM 27 NE2 GLN A 2 11.135 -3.294 -4.532 1.00 25.00 N ATOM 0 H GLN A 2 6.700 -4.157 -1.124 1.00 25.00 H new ATOM 0 HA GLN A 2 6.562 -2.399 -2.305 1.00 25.00 H new ATOM 0 HB2 GLN A 2 8.068 -3.777 -4.576 1.00 25.00 H new ATOM 0 HB3 GLN A 2 7.729 -2.060 -4.480 1.00 25.00 H new ATOM 0 HG2 GLN A 2 9.132 -1.945 -2.407 1.00 25.00 H new ATOM 0 HG3 GLN A 2 9.536 -3.636 -2.626 1.00 25.00 H new ATOM 0 HE21 GLN A 2 11.007 -4.246 -4.190 1.00 25.00 H new ATOM 0 HE22 GLN A 2 11.873 -3.089 -5.205 1.00 25.00 H new ATOM 36 N GLN A 3 4.698 -2.377 -3.973 1.00 25.00 N ATOM 37 CA GLN A 3 3.525 -2.362 -4.844 1.00 25.00 C ATOM 38 C GLN A 3 3.628 -1.132 -5.743 1.00 25.00 C ATOM 39 O GLN A 3 2.637 -0.547 -6.164 1.00 25.00 O ATOM 40 CB GLN A 3 2.235 -2.351 -4.002 1.00 25.00 C ATOM 41 CG GLN A 3 2.268 -1.522 -2.701 1.00 25.00 C ATOM 42 CD GLN A 3 3.052 -2.188 -1.564 1.00 25.00 C ATOM 43 OE1 GLN A 3 3.210 -3.382 -1.519 1.00 25.00 O ATOM 44 NE2 GLN A 3 3.580 -1.386 -0.670 1.00 25.00 N ATOM 0 H GLN A 3 4.825 -1.523 -3.430 1.00 25.00 H new ATOM 0 HA GLN A 3 3.488 -3.258 -5.463 1.00 25.00 H new ATOM 0 HB2 GLN A 3 1.424 -1.975 -4.626 1.00 25.00 H new ATOM 0 HB3 GLN A 3 1.987 -3.381 -3.744 1.00 25.00 H new ATOM 0 HG2 GLN A 3 2.709 -0.548 -2.913 1.00 25.00 H new ATOM 0 HG3 GLN A 3 1.245 -1.343 -2.369 1.00 25.00 H new ATOM 0 HE21 GLN A 3 3.428 -0.379 -0.735 1.00 25.00 H new ATOM 0 HE22 GLN A 3 4.142 -1.769 0.090 1.00 25.00 H new ATOM 53 N LYS A 4 4.859 -0.721 -6.017 1.00 25.00 N ATOM 54 CA LYS A 4 5.112 0.463 -6.840 1.00 25.00 C ATOM 55 C LYS A 4 4.502 0.338 -8.229 1.00 25.00 C ATOM 56 O LYS A 4 3.950 1.308 -8.754 1.00 25.00 O ATOM 57 CB LYS A 4 6.615 0.722 -6.967 1.00 25.00 C ATOM 58 CG LYS A 4 7.287 1.155 -5.674 1.00 25.00 C ATOM 59 CD LYS A 4 8.754 1.564 -5.921 1.00 25.00 C ATOM 60 CE LYS A 4 9.422 1.959 -4.611 1.00 25.00 C ATOM 61 NZ LYS A 4 10.867 2.305 -4.849 1.00 25.00 N ATOM 0 H LYS A 4 5.702 -1.188 -5.683 1.00 25.00 H new ATOM 0 HA LYS A 4 4.636 1.304 -6.335 1.00 25.00 H new ATOM 0 HB2 LYS A 4 7.099 -0.186 -7.328 1.00 25.00 H new ATOM 0 HB3 LYS A 4 6.777 1.491 -7.722 1.00 25.00 H new ATOM 0 HG2 LYS A 4 6.741 1.992 -5.239 1.00 25.00 H new ATOM 0 HG3 LYS A 4 7.250 0.340 -4.951 1.00 25.00 H new ATOM 0 HD2 LYS A 4 9.297 0.737 -6.379 1.00 25.00 H new ATOM 0 HD3 LYS A 4 8.793 2.398 -6.622 1.00 25.00 H new ATOM 0 HE2 LYS A 4 8.904 2.812 -4.173 1.00 25.00 H new ATOM 0 HE3 LYS A 4 9.350 1.140 -3.896 1.00 25.00 H new ATOM 0 HZ1 LYS A 4 11.313 2.573 -3.948 1.00 25.00 H new ATOM 0 HZ2 LYS A 4 11.360 1.481 -5.248 1.00 25.00 H new ATOM 0 HZ3 LYS A 4 10.928 3.101 -5.516 1.00 25.00 H new ATOM 75 N GLN A 5 4.570 -0.851 -8.810 1.00 25.00 N ATOM 76 CA GLN A 5 4.030 -1.062 -10.153 1.00 25.00 C ATOM 77 C GLN A 5 2.502 -1.009 -10.183 1.00 25.00 C ATOM 78 O GLN A 5 1.919 -0.702 -11.205 1.00 25.00 O ATOM 79 CB GLN A 5 4.540 -2.383 -10.739 1.00 25.00 C ATOM 80 CG GLN A 5 4.078 -3.651 -10.005 1.00 25.00 C ATOM 81 CD GLN A 5 4.639 -4.916 -10.636 1.00 25.00 C ATOM 82 OE1 GLN A 5 4.726 -5.020 -11.842 1.00 25.00 O ATOM 83 NE2 GLN A 5 5.030 -5.860 -9.827 1.00 25.00 N ATOM 0 H GLN A 5 4.988 -1.678 -8.382 1.00 25.00 H new ATOM 0 HA GLN A 5 4.388 -0.240 -10.774 1.00 25.00 H new ATOM 0 HB2 GLN A 5 4.219 -2.448 -11.779 1.00 25.00 H new ATOM 0 HB3 GLN A 5 5.630 -2.363 -10.743 1.00 25.00 H new ATOM 0 HG2 GLN A 5 4.389 -3.599 -8.962 1.00 25.00 H new ATOM 0 HG3 GLN A 5 2.989 -3.696 -10.011 1.00 25.00 H new ATOM 0 HE21 GLN A 5 4.941 -5.737 -8.818 1.00 25.00 H new ATOM 0 HE22 GLN A 5 5.425 -6.722 -10.202 1.00 25.00 H new ATOM 92 N GLN A 6 1.849 -1.278 -9.057 1.00 25.00 N ATOM 93 CA GLN A 6 0.384 -1.222 -9.009 1.00 25.00 C ATOM 94 C GLN A 6 -0.084 0.224 -9.077 1.00 25.00 C ATOM 95 O GLN A 6 -1.112 0.526 -9.659 1.00 25.00 O ATOM 96 CB GLN A 6 -0.135 -1.850 -7.713 1.00 25.00 C ATOM 97 CG GLN A 6 0.139 -3.341 -7.620 1.00 25.00 C ATOM 98 CD GLN A 6 -0.614 -4.000 -6.479 1.00 25.00 C ATOM 99 OE1 GLN A 6 -0.564 -3.543 -5.352 1.00 25.00 O ATOM 100 NE2 GLN A 6 -1.305 -5.069 -6.774 1.00 25.00 N ATOM 0 H GLN A 6 2.297 -1.533 -8.177 1.00 25.00 H new ATOM 0 HA GLN A 6 -0.006 -1.778 -9.861 1.00 25.00 H new ATOM 0 HB2 GLN A 6 0.327 -1.348 -6.863 1.00 25.00 H new ATOM 0 HB3 GLN A 6 -1.209 -1.679 -7.638 1.00 25.00 H new ATOM 0 HG2 GLN A 6 -0.141 -3.818 -8.559 1.00 25.00 H new ATOM 0 HG3 GLN A 6 1.209 -3.503 -7.487 1.00 25.00 H new ATOM 0 HE21 GLN A 6 -1.320 -5.418 -7.732 1.00 25.00 H new ATOM 0 HE22 GLN A 6 -1.830 -5.554 -6.046 1.00 25.00 H new ATOM 109 N ILE A 7 0.707 1.122 -8.500 1.00 25.00 N ATOM 110 CA ILE A 7 0.414 2.553 -8.544 1.00 25.00 C ATOM 111 C ILE A 7 0.547 2.997 -9.994 1.00 25.00 C ATOM 112 O ILE A 7 -0.295 3.717 -10.518 1.00 25.00 O ATOM 113 CB ILE A 7 1.391 3.342 -7.647 1.00 25.00 C ATOM 114 CG1 ILE A 7 1.251 2.871 -6.182 1.00 25.00 C ATOM 115 CG2 ILE A 7 1.135 4.869 -7.736 1.00 25.00 C ATOM 116 CD1 ILE A 7 2.483 3.126 -5.342 1.00 25.00 C ATOM 0 H ILE A 7 1.560 0.884 -7.994 1.00 25.00 H new ATOM 0 HA ILE A 7 -0.592 2.746 -8.171 1.00 25.00 H new ATOM 0 HB ILE A 7 2.404 3.150 -8.000 1.00 25.00 H new ATOM 0 HG12 ILE A 7 0.400 3.377 -5.726 1.00 25.00 H new ATOM 0 HG13 ILE A 7 1.030 1.804 -6.172 1.00 25.00 H new ATOM 0 HG21 ILE A 7 1.840 5.394 -7.092 1.00 25.00 H new ATOM 0 HG22 ILE A 7 1.267 5.201 -8.766 1.00 25.00 H new ATOM 0 HG23 ILE A 7 0.117 5.087 -7.413 1.00 25.00 H new ATOM 0 HD11 ILE A 7 2.311 2.770 -4.326 1.00 25.00 H new ATOM 0 HD12 ILE A 7 3.333 2.597 -5.773 1.00 25.00 H new ATOM 0 HD13 ILE A 7 2.694 4.195 -5.320 1.00 25.00 H new ATOM 128 N MET A 8 1.589 2.518 -10.656 1.00 25.00 N ATOM 129 CA MET A 8 1.808 2.821 -12.069 1.00 25.00 C ATOM 130 C MET A 8 0.690 2.273 -12.953 1.00 25.00 C ATOM 131 O MET A 8 0.325 2.900 -13.922 1.00 25.00 O ATOM 132 CB MET A 8 3.137 2.248 -12.556 1.00 25.00 C ATOM 133 CG MET A 8 4.323 3.079 -12.136 1.00 25.00 C ATOM 134 SD MET A 8 4.306 4.711 -12.956 1.00 25.00 S ATOM 135 CE MET A 8 4.848 4.339 -14.606 1.00 25.00 C ATOM 0 H MET A 8 2.300 1.916 -10.240 1.00 25.00 H new ATOM 0 HA MET A 8 1.821 3.908 -12.149 1.00 25.00 H new ATOM 0 HB2 MET A 8 3.254 1.236 -12.169 1.00 25.00 H new ATOM 0 HB3 MET A 8 3.118 2.174 -13.643 1.00 25.00 H new ATOM 0 HG2 MET A 8 4.313 3.212 -11.054 1.00 25.00 H new ATOM 0 HG3 MET A 8 5.245 2.554 -12.384 1.00 25.00 H new ATOM 0 HE1 MET A 8 4.961 5.265 -15.169 1.00 25.00 H new ATOM 0 HE2 MET A 8 5.805 3.819 -14.566 1.00 25.00 H new ATOM 0 HE3 MET A 8 4.110 3.704 -15.097 1.00 25.00 H new ATOM 145 N ALA A 9 0.145 1.107 -12.619 1.00 25.00 N ATOM 146 CA ALA A 9 -0.934 0.517 -13.415 1.00 25.00 C ATOM 147 C ALA A 9 -2.194 1.386 -13.347 1.00 25.00 C ATOM 148 O ALA A 9 -2.882 1.600 -14.353 1.00 25.00 O ATOM 149 CB ALA A 9 -1.225 -0.908 -12.936 1.00 25.00 C ATOM 0 H ALA A 9 0.428 0.553 -11.810 1.00 25.00 H new ATOM 0 HA ALA A 9 -0.615 0.472 -14.456 1.00 25.00 H new ATOM 0 HB1 ALA A 9 -2.029 -1.336 -13.535 1.00 25.00 H new ATOM 0 HB2 ALA A 9 -0.328 -1.518 -13.043 1.00 25.00 H new ATOM 0 HB3 ALA A 9 -1.526 -0.885 -11.889 1.00 25.00 H new ATOM 155 N ALA A 10 -2.479 1.928 -12.161 1.00 25.00 N ATOM 156 CA ALA A 10 -3.622 2.814 -12.002 1.00 25.00 C ATOM 157 C ALA A 10 -3.376 4.105 -12.775 1.00 25.00 C ATOM 158 O ALA A 10 -4.234 4.558 -13.539 1.00 25.00 O ATOM 159 CB ALA A 10 -3.851 3.117 -10.518 1.00 25.00 C ATOM 0 H ALA A 10 -1.939 1.769 -11.310 1.00 25.00 H new ATOM 0 HA ALA A 10 -4.514 2.327 -12.396 1.00 25.00 H new ATOM 0 HB1 ALA A 10 -4.709 3.781 -10.410 1.00 25.00 H new ATOM 0 HB2 ALA A 10 -4.042 2.187 -9.982 1.00 25.00 H new ATOM 0 HB3 ALA A 10 -2.965 3.599 -10.104 1.00 25.00 H new ATOM 165 N LEU A 11 -2.182 4.655 -12.599 1.00 25.00 N ATOM 166 CA LEU A 11 -1.815 5.897 -13.267 1.00 25.00 C ATOM 167 C LEU A 11 -1.852 5.739 -14.773 1.00 25.00 C ATOM 168 O LEU A 11 -2.318 6.615 -15.488 1.00 25.00 O ATOM 169 CB LEU A 11 -0.414 6.342 -12.830 1.00 25.00 C ATOM 170 CG LEU A 11 -0.306 6.962 -11.427 1.00 25.00 C ATOM 171 CD1 LEU A 11 1.168 7.224 -11.130 1.00 25.00 C ATOM 172 CD2 LEU A 11 -1.079 8.270 -11.298 1.00 25.00 C ATOM 0 H LEU A 11 -1.454 4.263 -12.002 1.00 25.00 H new ATOM 0 HA LEU A 11 -2.542 6.657 -12.981 1.00 25.00 H new ATOM 0 HB2 LEU A 11 0.249 5.478 -12.875 1.00 25.00 H new ATOM 0 HB3 LEU A 11 -0.043 7.067 -13.555 1.00 25.00 H new ATOM 0 HG LEU A 11 -0.742 6.259 -10.717 1.00 25.00 H new ATOM 0 HD11 LEU A 11 1.267 7.664 -10.138 1.00 25.00 H new ATOM 0 HD12 LEU A 11 1.719 6.284 -11.166 1.00 25.00 H new ATOM 0 HD13 LEU A 11 1.573 7.911 -11.874 1.00 25.00 H new ATOM 0 HD21 LEU A 11 -0.966 8.661 -10.287 1.00 25.00 H new ATOM 0 HD22 LEU A 11 -0.690 8.995 -12.013 1.00 25.00 H new ATOM 0 HD23 LEU A 11 -2.135 8.090 -11.502 1.00 25.00 H new ATOM 184 N ASN A 12 -1.379 4.606 -15.274 1.00 25.00 N ATOM 185 CA ASN A 12 -1.363 4.348 -16.702 1.00 25.00 C ATOM 186 C ASN A 12 -2.769 4.404 -17.275 1.00 25.00 C ATOM 187 O ASN A 12 -2.988 5.038 -18.293 1.00 25.00 O ATOM 188 CB ASN A 12 -0.732 2.982 -16.991 1.00 25.00 C ATOM 189 CG ASN A 12 -0.671 2.678 -18.461 1.00 25.00 C ATOM 190 OD1 ASN A 12 -1.550 2.034 -19.001 1.00 25.00 O ATOM 191 ND2 ASN A 12 0.369 3.131 -19.115 1.00 25.00 N ATOM 0 H ASN A 12 -1.000 3.848 -14.706 1.00 25.00 H new ATOM 0 HA ASN A 12 -0.763 5.122 -17.180 1.00 25.00 H new ATOM 0 HB2 ASN A 12 0.275 2.955 -16.575 1.00 25.00 H new ATOM 0 HB3 ASN A 12 -1.306 2.205 -16.486 1.00 25.00 H new ATOM 0 HD21 ASN A 12 0.463 2.947 -20.114 1.00 25.00 H new ATOM 0 HD22 ASN A 12 1.085 3.668 -18.626 1.00 25.00 H new ATOM 198 N SER A 13 -3.724 3.778 -16.612 1.00 25.00 N ATOM 199 CA SER A 13 -5.091 3.748 -17.101 1.00 25.00 C ATOM 200 C SER A 13 -5.749 5.120 -17.044 1.00 25.00 C ATOM 201 O SER A 13 -6.396 5.541 -18.003 1.00 25.00 O ATOM 202 CB SER A 13 -5.915 2.751 -16.279 1.00 25.00 C ATOM 203 OG SER A 13 -5.318 1.471 -16.324 1.00 25.00 O ATOM 0 H SER A 13 -3.578 3.283 -15.732 1.00 25.00 H new ATOM 0 HA SER A 13 -5.058 3.437 -18.145 1.00 25.00 H new ATOM 0 HB2 SER A 13 -5.986 3.091 -15.246 1.00 25.00 H new ATOM 0 HB3 SER A 13 -6.932 2.700 -16.668 1.00 25.00 H new ATOM 0 HG SER A 13 -4.534 1.455 -15.736 1.00 25.00 H new ATOM 209 N GLN A 14 -5.594 5.811 -15.925 1.00 25.00 N ATOM 210 CA GLN A 14 -6.295 7.076 -15.716 1.00 25.00 C ATOM 211 C GLN A 14 -5.709 8.234 -16.531 1.00 25.00 C ATOM 212 O GLN A 14 -6.348 9.272 -16.679 1.00 25.00 O ATOM 213 CB GLN A 14 -6.326 7.417 -14.218 1.00 25.00 C ATOM 214 CG GLN A 14 -5.037 7.972 -13.655 1.00 25.00 C ATOM 215 CD GLN A 14 -5.080 8.075 -12.137 1.00 25.00 C ATOM 216 OE1 GLN A 14 -5.032 7.080 -11.431 1.00 25.00 O ATOM 217 NE2 GLN A 14 -5.142 9.284 -11.634 1.00 25.00 N ATOM 0 H GLN A 14 -4.995 5.523 -15.151 1.00 25.00 H new ATOM 0 HA GLN A 14 -7.314 6.941 -16.079 1.00 25.00 H new ATOM 0 HB2 GLN A 14 -7.121 8.142 -14.044 1.00 25.00 H new ATOM 0 HB3 GLN A 14 -6.588 6.516 -13.663 1.00 25.00 H new ATOM 0 HG2 GLN A 14 -4.206 7.333 -13.952 1.00 25.00 H new ATOM 0 HG3 GLN A 14 -4.849 8.958 -14.081 1.00 25.00 H new ATOM 0 HE21 GLN A 14 -5.181 10.093 -12.254 1.00 25.00 H new ATOM 0 HE22 GLN A 14 -5.151 9.416 -10.623 1.00 25.00 H new ATOM 226 N THR A 15 -4.514 8.058 -17.079 1.00 25.00 N ATOM 227 CA THR A 15 -3.885 9.097 -17.901 1.00 25.00 C ATOM 228 C THR A 15 -3.755 8.678 -19.361 1.00 25.00 C ATOM 229 O THR A 15 -3.214 9.430 -20.164 1.00 25.00 O ATOM 230 CB THR A 15 -2.467 9.450 -17.390 1.00 25.00 C ATOM 231 OG1 THR A 15 -1.632 8.291 -17.456 1.00 25.00 O ATOM 232 CG2 THR A 15 -2.511 9.924 -15.940 1.00 25.00 C ATOM 0 H THR A 15 -3.958 7.210 -16.973 1.00 25.00 H new ATOM 0 HA THR A 15 -4.542 9.964 -17.824 1.00 25.00 H new ATOM 0 HB THR A 15 -2.072 10.248 -18.019 1.00 25.00 H new ATOM 0 HG1 THR A 15 -1.854 7.686 -16.718 1.00 25.00 H new ATOM 0 HG21 THR A 15 -1.502 10.166 -15.605 1.00 25.00 H new ATOM 0 HG22 THR A 15 -3.140 10.811 -15.866 1.00 25.00 H new ATOM 0 HG23 THR A 15 -2.922 9.134 -15.311 1.00 25.00 H new ATOM 240 N ALA A 16 -4.220 7.477 -19.690 1.00 25.00 N ATOM 241 CA ALA A 16 -4.038 6.912 -21.032 1.00 25.00 C ATOM 242 C ALA A 16 -4.490 7.854 -22.156 1.00 25.00 C ATOM 243 O ALA A 16 -3.682 8.357 -22.911 1.00 25.00 O ATOM 244 CB ALA A 16 -4.771 5.558 -21.137 1.00 25.00 C ATOM 0 H ALA A 16 -4.728 6.871 -19.046 1.00 25.00 H new ATOM 0 HA ALA A 16 -2.966 6.766 -21.169 1.00 25.00 H new ATOM 0 HB1 ALA A 16 -4.631 5.145 -22.136 1.00 25.00 H new ATOM 0 HB2 ALA A 16 -4.365 4.866 -20.398 1.00 25.00 H new ATOM 0 HB3 ALA A 16 -5.835 5.705 -20.951 1.00 25.00 H new ATOM 250 N VAL A 17 -5.781 8.097 -22.255 1.00 25.00 N ATOM 251 CA VAL A 17 -6.312 8.940 -23.330 1.00 25.00 C ATOM 252 C VAL A 17 -5.910 10.403 -23.137 1.00 25.00 C ATOM 253 O VAL A 17 -5.768 11.154 -24.093 1.00 25.00 O ATOM 254 CB VAL A 17 -7.854 8.775 -23.460 1.00 25.00 C ATOM 255 CG1 VAL A 17 -8.620 9.421 -22.274 1.00 25.00 C ATOM 256 CG2 VAL A 17 -8.351 9.347 -24.783 1.00 25.00 C ATOM 0 H VAL A 17 -6.485 7.730 -21.614 1.00 25.00 H new ATOM 0 HA VAL A 17 -5.870 8.607 -24.269 1.00 25.00 H new ATOM 0 HB VAL A 17 -8.059 7.705 -23.436 1.00 25.00 H new ATOM 0 HG11 VAL A 17 -9.692 9.278 -22.412 1.00 25.00 H new ATOM 0 HG12 VAL A 17 -8.309 8.951 -21.341 1.00 25.00 H new ATOM 0 HG13 VAL A 17 -8.398 10.487 -22.235 1.00 25.00 H new ATOM 0 HG21 VAL A 17 -9.431 9.220 -24.851 1.00 25.00 H new ATOM 0 HG22 VAL A 17 -8.106 10.408 -24.836 1.00 25.00 H new ATOM 0 HG23 VAL A 17 -7.871 8.822 -25.609 1.00 25.00 H new ATOM 266 N GLN A 18 -5.693 10.814 -21.890 1.00 25.00 N ATOM 267 CA GLN A 18 -5.360 12.208 -21.603 1.00 25.00 C ATOM 268 C GLN A 18 -3.967 12.561 -22.127 1.00 25.00 C ATOM 269 O GLN A 18 -3.768 13.586 -22.761 1.00 25.00 O ATOM 270 CB GLN A 18 -5.427 12.462 -20.093 1.00 25.00 C ATOM 271 CG GLN A 18 -6.298 13.676 -19.735 1.00 25.00 C ATOM 272 CD GLN A 18 -7.761 13.469 -20.079 1.00 25.00 C ATOM 273 OE1 GLN A 18 -8.205 13.825 -21.158 1.00 25.00 O ATOM 274 NE2 GLN A 18 -8.517 12.908 -19.166 1.00 25.00 N ATOM 0 H GLN A 18 -5.741 10.210 -21.070 1.00 25.00 H new ATOM 0 HA GLN A 18 -6.087 12.842 -22.111 1.00 25.00 H new ATOM 0 HB2 GLN A 18 -5.824 11.576 -19.597 1.00 25.00 H new ATOM 0 HB3 GLN A 18 -4.419 12.618 -19.710 1.00 25.00 H new ATOM 0 HG2 GLN A 18 -6.205 13.883 -18.669 1.00 25.00 H new ATOM 0 HG3 GLN A 18 -5.925 14.554 -20.263 1.00 25.00 H new ATOM 0 HE21 GLN A 18 -8.113 12.622 -18.274 1.00 25.00 H new ATOM 0 HE22 GLN A 18 -9.509 12.757 -19.348 1.00 25.00 H new ATOM 283 N PHE A 19 -2.996 11.693 -21.893 1.00 25.00 N ATOM 284 CA PHE A 19 -1.649 11.934 -22.408 1.00 25.00 C ATOM 285 C PHE A 19 -1.586 11.574 -23.878 1.00 25.00 C ATOM 286 O PHE A 19 -0.749 12.091 -24.585 1.00 25.00 O ATOM 287 CB PHE A 19 -0.587 11.141 -21.639 1.00 25.00 C ATOM 288 CG PHE A 19 -0.305 11.651 -20.237 1.00 25.00 C ATOM 289 CD1 PHE A 19 -0.616 12.979 -19.836 1.00 25.00 C ATOM 290 CD2 PHE A 19 0.310 10.792 -19.308 1.00 25.00 C ATOM 291 CE1 PHE A 19 -0.319 13.430 -18.514 1.00 25.00 C ATOM 292 CE2 PHE A 19 0.613 11.225 -17.987 1.00 25.00 C ATOM 293 CZ PHE A 19 0.302 12.545 -17.585 1.00 25.00 C ATOM 0 H PHE A 19 -3.106 10.830 -21.361 1.00 25.00 H new ATOM 0 HA PHE A 19 -1.434 12.994 -22.274 1.00 25.00 H new ATOM 0 HB2 PHE A 19 -0.906 10.101 -21.575 1.00 25.00 H new ATOM 0 HB3 PHE A 19 0.342 11.155 -22.210 1.00 25.00 H new ATOM 0 HD1 PHE A 19 -1.082 13.654 -20.539 1.00 25.00 H new ATOM 0 HD2 PHE A 19 0.557 9.783 -19.604 1.00 25.00 H new ATOM 0 HE1 PHE A 19 -0.564 14.439 -18.219 1.00 25.00 H new ATOM 0 HE2 PHE A 19 1.081 10.545 -17.290 1.00 25.00 H new ATOM 0 HZ PHE A 19 0.533 12.879 -16.584 1.00 25.00 H new ATOM 303 N GLN A 20 -2.497 10.740 -24.362 1.00 25.00 N ATOM 304 CA GLN A 20 -2.532 10.397 -25.791 1.00 25.00 C ATOM 305 C GLN A 20 -2.787 11.648 -26.626 1.00 25.00 C ATOM 306 O GLN A 20 -2.125 11.871 -27.633 1.00 25.00 O ATOM 307 CB GLN A 20 -3.635 9.373 -26.069 1.00 25.00 C ATOM 308 CG GLN A 20 -3.665 8.833 -27.485 1.00 25.00 C ATOM 309 CD GLN A 20 -4.891 7.986 -27.733 1.00 25.00 C ATOM 310 OE1 GLN A 20 -5.852 8.434 -28.328 1.00 25.00 O ATOM 311 NE2 GLN A 20 -4.867 6.764 -27.262 1.00 25.00 N ATOM 0 H GLN A 20 -3.218 10.289 -23.799 1.00 25.00 H new ATOM 0 HA GLN A 20 -1.567 9.968 -26.062 1.00 25.00 H new ATOM 0 HB2 GLN A 20 -3.516 8.537 -25.380 1.00 25.00 H new ATOM 0 HB3 GLN A 20 -4.599 9.832 -25.850 1.00 25.00 H new ATOM 0 HG2 GLN A 20 -3.647 9.663 -28.192 1.00 25.00 H new ATOM 0 HG3 GLN A 20 -2.769 8.239 -27.667 1.00 25.00 H new ATOM 0 HE21 GLN A 20 -4.042 6.424 -26.768 1.00 25.00 H new ATOM 0 HE22 GLN A 20 -5.673 6.152 -27.389 1.00 25.00 H new ATOM 320 N GLN A 21 -3.728 12.472 -26.192 1.00 25.00 N ATOM 321 CA GLN A 21 -4.041 13.698 -26.927 1.00 25.00 C ATOM 322 C GLN A 21 -2.844 14.657 -26.936 1.00 25.00 C ATOM 323 O GLN A 21 -2.544 15.289 -27.937 1.00 25.00 O ATOM 324 CB GLN A 21 -5.262 14.388 -26.318 1.00 25.00 C ATOM 325 CG GLN A 21 -6.565 13.607 -26.520 1.00 25.00 C ATOM 326 CD GLN A 21 -6.912 13.444 -27.991 1.00 25.00 C ATOM 327 OE1 GLN A 21 -7.005 14.413 -28.726 1.00 25.00 O ATOM 328 NE2 GLN A 21 -7.081 12.223 -28.424 1.00 25.00 N ATOM 0 H GLN A 21 -4.283 12.323 -25.349 1.00 25.00 H new ATOM 0 HA GLN A 21 -4.266 13.423 -27.957 1.00 25.00 H new ATOM 0 HB2 GLN A 21 -5.095 14.531 -25.251 1.00 25.00 H new ATOM 0 HB3 GLN A 21 -5.368 15.379 -26.760 1.00 25.00 H new ATOM 0 HG2 GLN A 21 -6.473 12.624 -26.059 1.00 25.00 H new ATOM 0 HG3 GLN A 21 -7.379 14.123 -26.011 1.00 25.00 H new ATOM 0 HE21 GLN A 21 -6.995 11.437 -27.780 1.00 25.00 H new ATOM 0 HE22 GLN A 21 -7.298 12.056 -29.406 1.00 25.00 H new ATOM 337 N TYR A 22 -2.115 14.707 -25.830 1.00 25.00 N ATOM 338 CA TYR A 22 -0.910 15.523 -25.764 1.00 25.00 C ATOM 339 C TYR A 22 0.186 14.957 -26.659 1.00 25.00 C ATOM 340 O TYR A 22 0.870 15.694 -27.366 1.00 25.00 O ATOM 341 CB TYR A 22 -0.391 15.577 -24.327 1.00 25.00 C ATOM 342 CG TYR A 22 0.889 16.377 -24.216 1.00 25.00 C ATOM 343 CD1 TYR A 22 0.874 17.782 -24.055 1.00 25.00 C ATOM 344 CD2 TYR A 22 2.148 15.731 -24.286 1.00 25.00 C ATOM 345 CE1 TYR A 22 2.086 18.528 -23.977 1.00 25.00 C ATOM 346 CE2 TYR A 22 3.359 16.480 -24.204 1.00 25.00 C ATOM 347 CZ TYR A 22 3.308 17.858 -24.063 1.00 25.00 C ATOM 348 OH TYR A 22 4.484 18.568 -23.998 1.00 25.00 O ATOM 0 H TYR A 22 -2.333 14.198 -24.974 1.00 25.00 H new ATOM 0 HA TYR A 22 -1.169 16.525 -26.108 1.00 25.00 H new ATOM 0 HB2 TYR A 22 -1.152 16.019 -23.683 1.00 25.00 H new ATOM 0 HB3 TYR A 22 -0.217 14.563 -23.966 1.00 25.00 H new ATOM 0 HD1 TYR A 22 -0.072 18.299 -23.990 1.00 25.00 H new ATOM 0 HD2 TYR A 22 2.191 14.658 -24.403 1.00 25.00 H new ATOM 0 HE1 TYR A 22 2.059 19.600 -23.853 1.00 25.00 H new ATOM 0 HE2 TYR A 22 4.313 15.975 -24.252 1.00 25.00 H new ATOM 0 HH TYR A 22 5.243 17.952 -24.072 1.00 25.00 H new ATOM 358 N ALA A 23 0.360 13.647 -26.632 1.00 25.00 N ATOM 359 CA ALA A 23 1.399 12.997 -27.416 1.00 25.00 C ATOM 360 C ALA A 23 1.172 13.195 -28.917 1.00 25.00 C ATOM 361 O ALA A 23 2.110 13.368 -29.674 1.00 25.00 O ATOM 362 CB ALA A 23 1.455 11.511 -27.080 1.00 25.00 C ATOM 0 H ALA A 23 -0.207 13.009 -26.073 1.00 25.00 H new ATOM 0 HA ALA A 23 2.353 13.458 -27.160 1.00 25.00 H new ATOM 0 HB1 ALA A 23 2.236 11.033 -27.672 1.00 25.00 H new ATOM 0 HB2 ALA A 23 1.675 11.386 -26.020 1.00 25.00 H new ATOM 0 HB3 ALA A 23 0.494 11.050 -27.308 1.00 25.00 H new ATOM 368 N ALA A 24 -0.095 13.206 -29.319 1.00 25.00 N ATOM 369 CA ALA A 24 -0.450 13.395 -30.721 1.00 25.00 C ATOM 370 C ALA A 24 -0.115 14.807 -31.186 1.00 25.00 C ATOM 371 O ALA A 24 0.125 15.024 -32.366 1.00 25.00 O ATOM 372 CB ALA A 24 -1.938 13.095 -30.919 1.00 25.00 C ATOM 0 H ALA A 24 -0.892 13.086 -28.694 1.00 25.00 H new ATOM 0 HA ALA A 24 0.135 12.704 -31.327 1.00 25.00 H new ATOM 0 HB1 ALA A 24 -2.201 13.237 -31.967 1.00 25.00 H new ATOM 0 HB2 ALA A 24 -2.143 12.064 -30.630 1.00 25.00 H new ATOM 0 HB3 ALA A 24 -2.531 13.770 -30.301 1.00 25.00 H new ATOM 378 N GLN A 25 -0.073 15.757 -30.267 1.00 25.00 N ATOM 379 CA GLN A 25 0.277 17.138 -30.579 1.00 25.00 C ATOM 380 C GLN A 25 1.779 17.274 -30.827 1.00 25.00 C ATOM 381 O GLN A 25 2.219 18.193 -31.513 1.00 25.00 O ATOM 382 CB GLN A 25 -0.143 18.032 -29.402 1.00 25.00 C ATOM 383 CG GLN A 25 -0.301 19.511 -29.753 1.00 25.00 C ATOM 384 CD GLN A 25 -0.621 20.344 -28.515 1.00 25.00 C ATOM 385 OE1 GLN A 25 0.064 21.301 -28.204 1.00 25.00 O ATOM 386 NE2 GLN A 25 -1.670 19.989 -27.826 1.00 25.00 N ATOM 0 H GLN A 25 -0.280 15.595 -29.282 1.00 25.00 H new ATOM 0 HA GLN A 25 -0.244 17.444 -31.486 1.00 25.00 H new ATOM 0 HB2 GLN A 25 -1.088 17.664 -29.002 1.00 25.00 H new ATOM 0 HB3 GLN A 25 0.598 17.937 -28.608 1.00 25.00 H new ATOM 0 HG2 GLN A 25 0.616 19.878 -30.213 1.00 25.00 H new ATOM 0 HG3 GLN A 25 -1.096 19.629 -30.489 1.00 25.00 H new ATOM 0 HE21 GLN A 25 -2.221 19.181 -28.116 1.00 25.00 H new ATOM 0 HE22 GLN A 25 -1.939 20.519 -26.997 1.00 25.00 H new ATOM 395 N GLN A 26 2.555 16.385 -30.220 1.00 25.00 N ATOM 396 CA GLN A 26 4.023 16.435 -30.295 1.00 25.00 C ATOM 397 C GLN A 26 4.565 15.562 -31.423 1.00 25.00 C ATOM 398 O GLN A 26 5.416 15.985 -32.179 1.00 25.00 O ATOM 399 CB GLN A 26 4.616 15.956 -28.970 1.00 25.00 C ATOM 400 CG GLN A 26 4.348 16.874 -27.785 1.00 25.00 C ATOM 401 CD GLN A 26 4.993 18.231 -27.925 1.00 25.00 C ATOM 402 OE1 GLN A 26 6.166 18.342 -28.237 1.00 25.00 O ATOM 403 NE2 GLN A 26 4.242 19.265 -27.648 1.00 25.00 N ATOM 0 H GLN A 26 2.194 15.610 -29.663 1.00 25.00 H new ATOM 0 HA GLN A 26 4.309 17.467 -30.495 1.00 25.00 H new ATOM 0 HB2 GLN A 26 4.216 14.968 -28.744 1.00 25.00 H new ATOM 0 HB3 GLN A 26 5.694 15.844 -29.089 1.00 25.00 H new ATOM 0 HG2 GLN A 26 3.272 17.001 -27.668 1.00 25.00 H new ATOM 0 HG3 GLN A 26 4.713 16.398 -26.875 1.00 25.00 H new ATOM 0 HE21 GLN A 26 3.264 19.131 -27.391 1.00 25.00 H new ATOM 0 HE22 GLN A 26 4.634 20.206 -27.689 1.00 25.00 H new ATOM 412 N TYR A 27 4.064 14.337 -31.499 1.00 25.00 N ATOM 413 CA TYR A 27 4.496 13.366 -32.501 1.00 25.00 C ATOM 414 C TYR A 27 3.309 12.909 -33.348 1.00 25.00 C ATOM 415 O TYR A 27 2.869 11.760 -33.237 1.00 25.00 O ATOM 416 CB TYR A 27 5.163 12.153 -31.831 1.00 25.00 C ATOM 417 CG TYR A 27 6.405 12.486 -31.025 1.00 25.00 C ATOM 418 CD1 TYR A 27 7.364 13.404 -31.510 1.00 25.00 C ATOM 419 CD2 TYR A 27 6.643 11.873 -29.779 1.00 25.00 C ATOM 420 CE1 TYR A 27 8.529 13.709 -30.760 1.00 25.00 C ATOM 421 CE2 TYR A 27 7.815 12.170 -29.028 1.00 25.00 C ATOM 422 CZ TYR A 27 8.738 13.079 -29.532 1.00 25.00 C ATOM 423 OH TYR A 27 9.871 13.357 -28.803 1.00 25.00 O ATOM 0 H TYR A 27 3.345 13.985 -30.867 1.00 25.00 H new ATOM 0 HA TYR A 27 5.226 13.850 -33.150 1.00 25.00 H new ATOM 0 HB2 TYR A 27 4.438 11.671 -31.175 1.00 25.00 H new ATOM 0 HB3 TYR A 27 5.428 11.428 -32.601 1.00 25.00 H new ATOM 0 HD1 TYR A 27 7.208 13.881 -32.466 1.00 25.00 H new ATOM 0 HD2 TYR A 27 5.925 11.167 -29.388 1.00 25.00 H new ATOM 0 HE1 TYR A 27 9.248 14.422 -31.136 1.00 25.00 H new ATOM 0 HE2 TYR A 27 7.986 11.693 -28.074 1.00 25.00 H new ATOM 0 HH TYR A 27 9.862 12.836 -27.973 1.00 25.00 H new ATOM 433 N PRO A 28 2.742 13.807 -34.174 1.00 25.00 N ATOM 434 CA PRO A 28 1.561 13.334 -34.902 1.00 25.00 C ATOM 435 C PRO A 28 1.899 12.254 -35.924 1.00 25.00 C ATOM 436 O PRO A 28 2.939 12.292 -36.575 1.00 25.00 O ATOM 437 CB PRO A 28 1.045 14.604 -35.581 1.00 25.00 C ATOM 438 CG PRO A 28 2.259 15.438 -35.767 1.00 25.00 C ATOM 439 CD PRO A 28 3.048 15.215 -34.505 1.00 25.00 C ATOM 0 HA PRO A 28 0.829 12.862 -34.247 1.00 25.00 H new ATOM 0 HB2 PRO A 28 0.567 14.379 -36.534 1.00 25.00 H new ATOM 0 HB3 PRO A 28 0.304 15.112 -34.964 1.00 25.00 H new ATOM 0 HG2 PRO A 28 2.822 15.133 -36.649 1.00 25.00 H new ATOM 0 HG3 PRO A 28 2.005 16.490 -35.899 1.00 25.00 H new ATOM 0 HD2 PRO A 28 4.115 15.371 -34.662 1.00 25.00 H new ATOM 0 HD3 PRO A 28 2.740 15.894 -33.710 1.00 25.00 H new ATOM 447 N GLY A 29 1.036 11.247 -36.006 1.00 25.00 N ATOM 448 CA GLY A 29 1.244 10.141 -36.932 1.00 25.00 C ATOM 449 C GLY A 29 2.194 9.059 -36.434 1.00 25.00 C ATOM 450 O GLY A 29 2.097 7.903 -36.865 1.00 25.00 O ATOM 0 H GLY A 29 0.188 11.174 -35.444 1.00 25.00 H new ATOM 0 HA2 GLY A 29 0.279 9.684 -37.152 1.00 25.00 H new ATOM 0 HA3 GLY A 29 1.630 10.539 -37.870 1.00 25.00 H new ATOM 454 N ASN A 30 3.092 9.393 -35.514 1.00 25.00 N ATOM 455 CA ASN A 30 4.077 8.420 -35.047 1.00 25.00 C ATOM 456 C ASN A 30 3.587 7.757 -33.779 1.00 25.00 C ATOM 457 O ASN A 30 3.927 8.176 -32.675 1.00 25.00 O ATOM 458 CB ASN A 30 5.421 9.070 -34.775 1.00 25.00 C ATOM 459 CG ASN A 30 6.215 9.300 -36.029 1.00 25.00 C ATOM 460 OD1 ASN A 30 6.016 10.272 -36.718 1.00 25.00 O ATOM 461 ND2 ASN A 30 7.123 8.416 -36.323 1.00 25.00 N ATOM 0 H ASN A 30 3.160 10.314 -35.082 1.00 25.00 H new ATOM 0 HA ASN A 30 4.204 7.679 -35.836 1.00 25.00 H new ATOM 0 HB2 ASN A 30 5.264 10.022 -34.269 1.00 25.00 H new ATOM 0 HB3 ASN A 30 5.995 8.439 -34.096 1.00 25.00 H new ATOM 0 HD21 ASN A 30 7.695 8.531 -37.159 1.00 25.00 H new ATOM 0 HD22 ASN A 30 7.263 7.607 -35.717 1.00 25.00 H new ATOM 468 N TYR A 31 2.785 6.711 -33.958 1.00 25.00 N ATOM 469 CA TYR A 31 2.211 5.973 -32.832 1.00 25.00 C ATOM 470 C TYR A 31 3.285 5.488 -31.867 1.00 25.00 C ATOM 471 O TYR A 31 3.148 5.614 -30.656 1.00 25.00 O ATOM 472 CB TYR A 31 1.395 4.786 -33.347 1.00 25.00 C ATOM 473 CG TYR A 31 1.215 3.676 -32.328 1.00 25.00 C ATOM 474 CD1 TYR A 31 0.255 3.796 -31.303 1.00 25.00 C ATOM 475 CD2 TYR A 31 2.018 2.516 -32.377 1.00 25.00 C ATOM 476 CE1 TYR A 31 0.087 2.763 -30.343 1.00 25.00 C ATOM 477 CE2 TYR A 31 1.853 1.486 -31.423 1.00 25.00 C ATOM 478 CZ TYR A 31 0.893 1.614 -30.412 1.00 25.00 C ATOM 479 OH TYR A 31 0.757 0.618 -29.477 1.00 25.00 O ATOM 0 H TYR A 31 2.516 6.353 -34.874 1.00 25.00 H new ATOM 0 HA TYR A 31 1.559 6.655 -32.286 1.00 25.00 H new ATOM 0 HB2 TYR A 31 0.413 5.141 -33.660 1.00 25.00 H new ATOM 0 HB3 TYR A 31 1.884 4.378 -34.232 1.00 25.00 H new ATOM 0 HD1 TYR A 31 -0.359 4.683 -31.247 1.00 25.00 H new ATOM 0 HD2 TYR A 31 2.765 2.415 -33.150 1.00 25.00 H new ATOM 0 HE1 TYR A 31 -0.656 2.860 -29.565 1.00 25.00 H new ATOM 0 HE2 TYR A 31 2.468 0.600 -31.474 1.00 25.00 H new ATOM 0 HH TYR A 31 1.390 -0.104 -29.673 1.00 25.00 H new ATOM 489 N GLU A 32 4.379 4.965 -32.402 1.00 25.00 N ATOM 490 CA GLU A 32 5.474 4.467 -31.569 1.00 25.00 C ATOM 491 C GLU A 32 6.073 5.571 -30.682 1.00 25.00 C ATOM 492 O GLU A 32 6.236 5.384 -29.483 1.00 25.00 O ATOM 493 CB GLU A 32 6.549 3.825 -32.451 1.00 25.00 C ATOM 494 CG GLU A 32 7.125 4.734 -33.521 1.00 25.00 C ATOM 495 CD GLU A 32 7.842 3.960 -34.595 1.00 25.00 C ATOM 496 OE1 GLU A 32 8.707 3.134 -34.264 1.00 25.00 O ATOM 497 OE2 GLU A 32 7.527 4.190 -35.778 1.00 25.00 O ATOM 0 H GLU A 32 4.536 4.873 -33.406 1.00 25.00 H new ATOM 0 HA GLU A 32 5.068 3.711 -30.897 1.00 25.00 H new ATOM 0 HB2 GLU A 32 7.362 3.478 -31.813 1.00 25.00 H new ATOM 0 HB3 GLU A 32 6.124 2.944 -32.933 1.00 25.00 H new ATOM 0 HG2 GLU A 32 6.322 5.318 -33.970 1.00 25.00 H new ATOM 0 HG3 GLU A 32 7.816 5.441 -33.062 1.00 25.00 H new ATOM 504 N GLN A 33 6.347 6.731 -31.252 1.00 25.00 N ATOM 505 CA GLN A 33 6.935 7.829 -30.486 1.00 25.00 C ATOM 506 C GLN A 33 5.935 8.398 -29.502 1.00 25.00 C ATOM 507 O GLN A 33 6.300 8.743 -28.379 1.00 25.00 O ATOM 508 CB GLN A 33 7.416 8.921 -31.419 1.00 25.00 C ATOM 509 CG GLN A 33 8.607 8.521 -32.256 1.00 25.00 C ATOM 510 CD GLN A 33 9.883 8.341 -31.436 1.00 25.00 C ATOM 511 OE1 GLN A 33 10.205 9.142 -30.575 1.00 25.00 O ATOM 512 NE2 GLN A 33 10.605 7.287 -31.705 1.00 25.00 N ATOM 0 H GLN A 33 6.175 6.942 -32.235 1.00 25.00 H new ATOM 0 HA GLN A 33 7.784 7.435 -29.928 1.00 25.00 H new ATOM 0 HB2 GLN A 33 6.598 9.209 -32.080 1.00 25.00 H new ATOM 0 HB3 GLN A 33 7.675 9.801 -30.831 1.00 25.00 H new ATOM 0 HG2 GLN A 33 8.382 7.590 -32.776 1.00 25.00 H new ATOM 0 HG3 GLN A 33 8.777 9.279 -33.020 1.00 25.00 H new ATOM 0 HE21 GLN A 33 10.307 6.637 -32.432 1.00 25.00 H new ATOM 0 HE22 GLN A 33 11.467 7.114 -31.188 1.00 25.00 H new ATOM 521 N GLN A 34 4.679 8.420 -29.892 1.00 25.00 N ATOM 522 CA GLN A 34 3.617 8.845 -28.995 1.00 25.00 C ATOM 523 C GLN A 34 3.623 7.967 -27.741 1.00 25.00 C ATOM 524 O GLN A 34 3.438 8.456 -26.630 1.00 25.00 O ATOM 525 CB GLN A 34 2.256 8.730 -29.687 1.00 25.00 C ATOM 526 CG GLN A 34 1.921 9.854 -30.624 1.00 25.00 C ATOM 527 CD GLN A 34 0.705 9.543 -31.471 1.00 25.00 C ATOM 528 OE1 GLN A 34 -0.135 8.729 -31.101 1.00 25.00 O ATOM 529 NE2 GLN A 34 0.614 10.171 -32.602 1.00 25.00 N ATOM 0 H GLN A 34 4.364 8.149 -30.824 1.00 25.00 H new ATOM 0 HA GLN A 34 3.788 9.885 -28.719 1.00 25.00 H new ATOM 0 HB2 GLN A 34 2.227 7.793 -30.243 1.00 25.00 H new ATOM 0 HB3 GLN A 34 1.481 8.671 -28.923 1.00 25.00 H new ATOM 0 HG2 GLN A 34 1.740 10.763 -30.050 1.00 25.00 H new ATOM 0 HG3 GLN A 34 2.774 10.051 -31.273 1.00 25.00 H new ATOM 0 HE21 GLN A 34 1.334 10.841 -32.873 1.00 25.00 H new ATOM 0 HE22 GLN A 34 -0.178 9.995 -33.221 1.00 25.00 H new ATOM 538 N GLN A 35 3.864 6.670 -27.901 1.00 25.00 N ATOM 539 CA GLN A 35 3.828 5.750 -26.741 1.00 25.00 C ATOM 540 C GLN A 35 5.040 5.981 -25.856 1.00 25.00 C ATOM 541 O GLN A 35 4.927 5.976 -24.626 1.00 25.00 O ATOM 542 CB GLN A 35 3.807 4.279 -27.184 1.00 25.00 C ATOM 543 CG GLN A 35 2.525 3.861 -27.884 1.00 25.00 C ATOM 544 CD GLN A 35 1.317 3.917 -26.977 1.00 25.00 C ATOM 545 OE1 GLN A 35 1.265 3.265 -25.945 1.00 25.00 O ATOM 546 NE2 GLN A 35 0.334 4.684 -27.367 1.00 25.00 N ATOM 0 H GLN A 35 4.082 6.228 -28.794 1.00 25.00 H new ATOM 0 HA GLN A 35 2.912 5.958 -26.188 1.00 25.00 H new ATOM 0 HB2 GLN A 35 4.649 4.100 -27.853 1.00 25.00 H new ATOM 0 HB3 GLN A 35 3.954 3.645 -26.310 1.00 25.00 H new ATOM 0 HG2 GLN A 35 2.358 4.509 -28.744 1.00 25.00 H new ATOM 0 HG3 GLN A 35 2.640 2.847 -28.267 1.00 25.00 H new ATOM 0 HE21 GLN A 35 0.414 5.214 -28.235 1.00 25.00 H new ATOM 0 HE22 GLN A 35 -0.513 4.753 -26.803 1.00 25.00 H new ATOM 555 N ILE A 36 6.189 6.212 -26.475 1.00 25.00 N ATOM 556 CA ILE A 36 7.424 6.480 -25.743 1.00 25.00 C ATOM 557 C ILE A 36 7.254 7.756 -24.931 1.00 25.00 C ATOM 558 O ILE A 36 7.630 7.801 -23.760 1.00 25.00 O ATOM 559 CB ILE A 36 8.628 6.628 -26.718 1.00 25.00 C ATOM 560 CG1 ILE A 36 8.841 5.299 -27.467 1.00 25.00 C ATOM 561 CG2 ILE A 36 9.916 7.031 -25.967 1.00 25.00 C ATOM 562 CD1 ILE A 36 9.729 5.439 -28.707 1.00 25.00 C ATOM 0 H ILE A 36 6.294 6.220 -27.490 1.00 25.00 H new ATOM 0 HA ILE A 36 7.630 5.641 -25.078 1.00 25.00 H new ATOM 0 HB ILE A 36 8.402 7.421 -27.431 1.00 25.00 H new ATOM 0 HG12 ILE A 36 9.289 4.575 -26.787 1.00 25.00 H new ATOM 0 HG13 ILE A 36 7.872 4.899 -27.766 1.00 25.00 H new ATOM 0 HG21 ILE A 36 10.737 7.126 -26.678 1.00 25.00 H new ATOM 0 HG22 ILE A 36 9.760 7.985 -25.463 1.00 25.00 H new ATOM 0 HG23 ILE A 36 10.161 6.267 -25.229 1.00 25.00 H new ATOM 0 HD11 ILE A 36 9.838 4.467 -29.188 1.00 25.00 H new ATOM 0 HD12 ILE A 36 9.271 6.140 -29.405 1.00 25.00 H new ATOM 0 HD13 ILE A 36 10.710 5.810 -28.412 1.00 25.00 H new ATOM 574 N LEU A 37 6.655 8.778 -25.525 1.00 25.00 N ATOM 575 CA LEU A 37 6.449 10.042 -24.831 1.00 25.00 C ATOM 576 C LEU A 37 5.541 9.829 -23.623 1.00 25.00 C ATOM 577 O LEU A 37 5.904 10.178 -22.524 1.00 25.00 O ATOM 578 CB LEU A 37 5.850 11.085 -25.779 1.00 25.00 C ATOM 579 CG LEU A 37 5.573 12.480 -25.185 1.00 25.00 C ATOM 580 CD1 LEU A 37 6.802 13.093 -24.505 1.00 25.00 C ATOM 581 CD2 LEU A 37 5.112 13.408 -26.287 1.00 25.00 C ATOM 0 H LEU A 37 6.304 8.758 -26.482 1.00 25.00 H new ATOM 0 HA LEU A 37 7.413 10.414 -24.484 1.00 25.00 H new ATOM 0 HB2 LEU A 37 6.526 11.204 -26.626 1.00 25.00 H new ATOM 0 HB3 LEU A 37 4.913 10.690 -26.172 1.00 25.00 H new ATOM 0 HG LEU A 37 4.803 12.357 -24.423 1.00 25.00 H new ATOM 0 HD11 LEU A 37 6.546 14.074 -24.106 1.00 25.00 H new ATOM 0 HD12 LEU A 37 7.129 12.445 -23.692 1.00 25.00 H new ATOM 0 HD13 LEU A 37 7.607 13.196 -25.233 1.00 25.00 H new ATOM 0 HD21 LEU A 37 4.915 14.396 -25.872 1.00 25.00 H new ATOM 0 HD22 LEU A 37 5.888 13.483 -27.048 1.00 25.00 H new ATOM 0 HD23 LEU A 37 4.200 13.015 -26.736 1.00 25.00 H new ATOM 593 N ILE A 38 4.386 9.201 -23.824 1.00 25.00 N ATOM 594 CA ILE A 38 3.438 8.936 -22.725 1.00 25.00 C ATOM 595 C ILE A 38 4.096 8.145 -21.595 1.00 25.00 C ATOM 596 O ILE A 38 3.904 8.443 -20.419 1.00 25.00 O ATOM 597 CB ILE A 38 2.202 8.147 -23.258 1.00 25.00 C ATOM 598 CG1 ILE A 38 1.413 9.011 -24.255 1.00 25.00 C ATOM 599 CG2 ILE A 38 1.260 7.733 -22.105 1.00 25.00 C ATOM 600 CD1 ILE A 38 0.516 8.217 -25.205 1.00 25.00 C ATOM 0 H ILE A 38 4.076 8.863 -24.735 1.00 25.00 H new ATOM 0 HA ILE A 38 3.117 9.899 -22.329 1.00 25.00 H new ATOM 0 HB ILE A 38 2.573 7.249 -23.751 1.00 25.00 H new ATOM 0 HG12 ILE A 38 0.797 9.717 -23.698 1.00 25.00 H new ATOM 0 HG13 ILE A 38 2.117 9.598 -24.845 1.00 25.00 H new ATOM 0 HG21 ILE A 38 0.409 7.185 -22.509 1.00 25.00 H new ATOM 0 HG22 ILE A 38 1.801 7.097 -21.404 1.00 25.00 H new ATOM 0 HG23 ILE A 38 0.905 8.624 -21.587 1.00 25.00 H new ATOM 0 HD11 ILE A 38 -0.004 8.903 -25.874 1.00 25.00 H new ATOM 0 HD12 ILE A 38 1.126 7.530 -25.792 1.00 25.00 H new ATOM 0 HD13 ILE A 38 -0.214 7.651 -24.627 1.00 25.00 H new ATOM 612 N ARG A 39 4.913 7.169 -21.950 1.00 25.00 N ATOM 613 CA ARG A 39 5.622 6.348 -20.963 1.00 25.00 C ATOM 614 C ARG A 39 6.555 7.207 -20.122 1.00 25.00 C ATOM 615 O ARG A 39 6.624 7.043 -18.912 1.00 25.00 O ATOM 616 CB ARG A 39 6.391 5.256 -21.712 1.00 25.00 C ATOM 617 CG ARG A 39 7.072 4.229 -20.845 1.00 25.00 C ATOM 618 CD ARG A 39 7.534 3.084 -21.746 1.00 25.00 C ATOM 619 NE ARG A 39 8.308 2.044 -21.037 1.00 25.00 N ATOM 620 CZ ARG A 39 9.638 1.988 -20.966 1.00 25.00 C ATOM 621 NH1 ARG A 39 10.406 2.886 -21.514 1.00 25.00 N ATOM 622 NH2 ARG A 39 10.192 1.005 -20.320 1.00 25.00 N ATOM 0 H ARG A 39 5.108 6.918 -22.919 1.00 25.00 H new ATOM 0 HA ARG A 39 4.912 5.886 -20.278 1.00 25.00 H new ATOM 0 HB2 ARG A 39 5.699 4.741 -22.379 1.00 25.00 H new ATOM 0 HB3 ARG A 39 7.144 5.732 -22.340 1.00 25.00 H new ATOM 0 HG2 ARG A 39 7.922 4.672 -20.325 1.00 25.00 H new ATOM 0 HG3 ARG A 39 6.387 3.861 -20.081 1.00 25.00 H new ATOM 0 HD2 ARG A 39 6.661 2.623 -22.208 1.00 25.00 H new ATOM 0 HD3 ARG A 39 8.144 3.492 -22.552 1.00 25.00 H new ATOM 0 HE ARG A 39 7.782 1.309 -20.564 1.00 25.00 H new ATOM 0 HH11 ARG A 39 9.994 3.669 -22.021 1.00 25.00 H new ATOM 0 HH12 ARG A 39 11.420 2.806 -21.436 1.00 25.00 H new ATOM 0 HH21 ARG A 39 9.610 0.293 -19.878 1.00 25.00 H new ATOM 0 HH22 ARG A 39 11.208 0.946 -20.255 1.00 25.00 H new ATOM 636 N GLN A 40 7.221 8.167 -20.751 1.00 25.00 N ATOM 637 CA GLN A 40 8.086 9.103 -20.034 1.00 25.00 C ATOM 638 C GLN A 40 7.267 10.105 -19.206 1.00 25.00 C ATOM 639 O GLN A 40 7.629 10.407 -18.073 1.00 25.00 O ATOM 640 CB GLN A 40 8.962 9.891 -21.024 1.00 25.00 C ATOM 641 CG GLN A 40 10.462 9.548 -20.954 1.00 25.00 C ATOM 642 CD GLN A 40 10.824 8.141 -21.446 1.00 25.00 C ATOM 643 OE1 GLN A 40 11.734 7.517 -20.927 1.00 25.00 O ATOM 644 NE2 GLN A 40 10.141 7.657 -22.447 1.00 25.00 N ATOM 0 H GLN A 40 7.180 8.320 -21.759 1.00 25.00 H new ATOM 0 HA GLN A 40 8.711 8.513 -19.364 1.00 25.00 H new ATOM 0 HB2 GLN A 40 8.605 9.703 -22.037 1.00 25.00 H new ATOM 0 HB3 GLN A 40 8.836 10.957 -20.834 1.00 25.00 H new ATOM 0 HG2 GLN A 40 11.015 10.278 -21.545 1.00 25.00 H new ATOM 0 HG3 GLN A 40 10.797 9.654 -19.922 1.00 25.00 H new ATOM 0 HE21 GLN A 40 9.385 8.203 -22.860 1.00 25.00 H new ATOM 0 HE22 GLN A 40 10.363 6.732 -22.816 1.00 25.00 H new ATOM 653 N LEU A 41 6.152 10.592 -19.739 1.00 25.00 N ATOM 654 CA LEU A 41 5.312 11.545 -19.007 1.00 25.00 C ATOM 655 C LEU A 41 4.816 10.903 -17.723 1.00 25.00 C ATOM 656 O LEU A 41 4.810 11.530 -16.671 1.00 25.00 O ATOM 657 CB LEU A 41 4.092 11.973 -19.836 1.00 25.00 C ATOM 658 CG LEU A 41 4.309 12.752 -21.145 1.00 25.00 C ATOM 659 CD1 LEU A 41 2.947 13.018 -21.786 1.00 25.00 C ATOM 660 CD2 LEU A 41 5.046 14.060 -20.949 1.00 25.00 C ATOM 0 H LEU A 41 5.807 10.348 -20.667 1.00 25.00 H new ATOM 0 HA LEU A 41 5.919 12.425 -18.792 1.00 25.00 H new ATOM 0 HB2 LEU A 41 3.529 11.072 -20.080 1.00 25.00 H new ATOM 0 HB3 LEU A 41 3.456 12.582 -19.193 1.00 25.00 H new ATOM 0 HG LEU A 41 4.937 12.139 -21.791 1.00 25.00 H new ATOM 0 HD11 LEU A 41 3.084 13.570 -22.716 1.00 25.00 H new ATOM 0 HD12 LEU A 41 2.453 12.070 -21.997 1.00 25.00 H new ATOM 0 HD13 LEU A 41 2.332 13.604 -21.103 1.00 25.00 H new ATOM 0 HD21 LEU A 41 5.165 14.558 -21.911 1.00 25.00 H new ATOM 0 HD22 LEU A 41 4.476 14.701 -20.276 1.00 25.00 H new ATOM 0 HD23 LEU A 41 6.028 13.863 -20.518 1.00 25.00 H new ATOM 672 N GLN A 42 4.411 9.645 -17.803 1.00 25.00 N ATOM 673 CA GLN A 42 3.927 8.923 -16.632 1.00 25.00 C ATOM 674 C GLN A 42 5.043 8.718 -15.621 1.00 25.00 C ATOM 675 O GLN A 42 4.794 8.788 -14.426 1.00 25.00 O ATOM 676 CB GLN A 42 3.331 7.571 -17.053 1.00 25.00 C ATOM 677 CG GLN A 42 1.983 7.723 -17.762 1.00 25.00 C ATOM 678 CD GLN A 42 1.449 6.423 -18.336 1.00 25.00 C ATOM 679 OE1 GLN A 42 2.061 5.362 -18.222 1.00 25.00 O ATOM 680 NE2 GLN A 42 0.291 6.491 -18.946 1.00 25.00 N ATOM 0 H GLN A 42 4.407 9.101 -18.666 1.00 25.00 H new ATOM 0 HA GLN A 42 3.148 9.520 -16.159 1.00 25.00 H new ATOM 0 HB2 GLN A 42 4.030 7.059 -17.714 1.00 25.00 H new ATOM 0 HB3 GLN A 42 3.206 6.942 -16.172 1.00 25.00 H new ATOM 0 HG2 GLN A 42 1.255 8.126 -17.058 1.00 25.00 H new ATOM 0 HG3 GLN A 42 2.085 8.451 -18.567 1.00 25.00 H new ATOM 0 HE21 GLN A 42 -0.192 7.386 -19.024 1.00 25.00 H new ATOM 0 HE22 GLN A 42 -0.127 5.649 -19.342 1.00 25.00 H new ATOM 689 N GLU A 43 6.268 8.507 -16.083 1.00 25.00 N ATOM 690 CA GLU A 43 7.401 8.317 -15.175 1.00 25.00 C ATOM 691 C GLU A 43 7.772 9.609 -14.452 1.00 25.00 C ATOM 692 O GLU A 43 7.999 9.610 -13.251 1.00 25.00 O ATOM 693 CB GLU A 43 8.603 7.787 -15.967 1.00 25.00 C ATOM 694 CG GLU A 43 9.760 7.345 -15.070 1.00 25.00 C ATOM 695 CD GLU A 43 10.933 6.788 -15.860 1.00 25.00 C ATOM 696 OE1 GLU A 43 10.916 6.874 -17.104 1.00 25.00 O ATOM 697 OE2 GLU A 43 11.859 6.219 -15.223 1.00 25.00 O ATOM 0 H GLU A 43 6.506 8.462 -17.074 1.00 25.00 H new ATOM 0 HA GLU A 43 7.111 7.593 -14.414 1.00 25.00 H new ATOM 0 HB2 GLU A 43 8.284 6.945 -16.581 1.00 25.00 H new ATOM 0 HB3 GLU A 43 8.954 8.563 -16.648 1.00 25.00 H new ATOM 0 HG2 GLU A 43 10.098 8.193 -14.475 1.00 25.00 H new ATOM 0 HG3 GLU A 43 9.404 6.587 -14.372 1.00 25.00 H new ATOM 704 N GLN A 44 7.792 10.712 -15.176 1.00 25.00 N ATOM 705 CA GLN A 44 8.110 12.008 -14.565 1.00 25.00 C ATOM 706 C GLN A 44 6.999 12.398 -13.584 1.00 25.00 C ATOM 707 O GLN A 44 7.247 12.915 -12.488 1.00 25.00 O ATOM 708 CB GLN A 44 8.271 13.075 -15.647 1.00 25.00 C ATOM 709 CG GLN A 44 9.478 12.836 -16.552 1.00 25.00 C ATOM 710 CD GLN A 44 9.587 13.865 -17.653 1.00 25.00 C ATOM 711 OE1 GLN A 44 8.697 14.023 -18.462 1.00 25.00 O ATOM 712 NE2 GLN A 44 10.688 14.563 -17.689 1.00 25.00 N ATOM 0 H GLN A 44 7.596 10.748 -16.176 1.00 25.00 H new ATOM 0 HA GLN A 44 9.051 11.930 -14.020 1.00 25.00 H new ATOM 0 HB2 GLN A 44 7.368 13.104 -16.257 1.00 25.00 H new ATOM 0 HB3 GLN A 44 8.368 14.052 -15.173 1.00 25.00 H new ATOM 0 HG2 GLN A 44 10.388 12.853 -15.952 1.00 25.00 H new ATOM 0 HG3 GLN A 44 9.406 11.842 -16.994 1.00 25.00 H new ATOM 0 HE21 GLN A 44 11.416 14.404 -16.992 1.00 25.00 H new ATOM 0 HE22 GLN A 44 10.821 15.268 -18.414 1.00 25.00 H new ATOM 721 N HIS A 45 5.757 12.113 -13.967 1.00 25.00 N ATOM 722 CA HIS A 45 4.607 12.353 -13.095 1.00 25.00 C ATOM 723 C HIS A 45 4.670 11.454 -11.860 1.00 25.00 C ATOM 724 O HIS A 45 4.220 11.839 -10.780 1.00 25.00 O ATOM 725 CB HIS A 45 3.295 12.121 -13.844 1.00 25.00 C ATOM 726 CG HIS A 45 2.119 12.794 -13.218 1.00 25.00 C ATOM 727 ND1 HIS A 45 1.553 12.435 -12.017 1.00 25.00 N ATOM 728 CD2 HIS A 45 1.401 13.864 -13.642 1.00 25.00 C ATOM 729 CE1 HIS A 45 0.540 13.261 -11.780 1.00 25.00 C ATOM 730 NE2 HIS A 45 0.409 14.153 -12.734 1.00 25.00 N ATOM 0 H HIS A 45 5.520 11.715 -14.876 1.00 25.00 H new ATOM 0 HA HIS A 45 4.643 13.394 -12.774 1.00 25.00 H new ATOM 0 HB2 HIS A 45 3.404 12.478 -14.868 1.00 25.00 H new ATOM 0 HB3 HIS A 45 3.103 11.049 -13.898 1.00 25.00 H new ATOM 0 HD2 HIS A 45 1.582 14.408 -14.557 1.00 25.00 H new ATOM 0 HE1 HIS A 45 -0.097 13.205 -10.910 1.00 25.00 H new ATOM 0 HE2 HIS A 45 -0.282 14.901 -12.790 1.00 25.00 H new ATOM 738 N TYR A 46 5.242 10.266 -11.999 1.00 25.00 N ATOM 739 CA TYR A 46 5.356 9.332 -10.867 1.00 25.00 C ATOM 740 C TYR A 46 6.188 9.932 -9.754 1.00 25.00 C ATOM 741 O TYR A 46 5.870 9.768 -8.579 1.00 25.00 O ATOM 742 CB TYR A 46 5.995 8.012 -11.305 1.00 25.00 C ATOM 743 CG TYR A 46 5.842 6.911 -10.288 1.00 25.00 C ATOM 744 CD1 TYR A 46 4.631 6.212 -10.186 1.00 25.00 C ATOM 745 CD2 TYR A 46 6.902 6.547 -9.435 1.00 25.00 C ATOM 746 CE1 TYR A 46 4.482 5.144 -9.276 1.00 25.00 C ATOM 747 CE2 TYR A 46 6.751 5.475 -8.507 1.00 25.00 C ATOM 748 CZ TYR A 46 5.536 4.776 -8.444 1.00 25.00 C ATOM 749 OH TYR A 46 5.359 3.739 -7.572 1.00 25.00 O ATOM 0 H TYR A 46 5.634 9.920 -12.875 1.00 25.00 H new ATOM 0 HA TYR A 46 4.346 9.141 -10.504 1.00 25.00 H new ATOM 0 HB2 TYR A 46 5.546 7.693 -12.246 1.00 25.00 H new ATOM 0 HB3 TYR A 46 7.055 8.175 -11.497 1.00 25.00 H new ATOM 0 HD1 TYR A 46 3.799 6.495 -10.814 1.00 25.00 H new ATOM 0 HD2 TYR A 46 7.837 7.085 -9.484 1.00 25.00 H new ATOM 0 HE1 TYR A 46 3.545 4.609 -9.225 1.00 25.00 H new ATOM 0 HE2 TYR A 46 7.568 5.202 -7.856 1.00 25.00 H new ATOM 0 HH TYR A 46 4.915 2.997 -8.032 1.00 25.00 H new ATOM 759 N GLN A 47 7.239 10.666 -10.103 1.00 25.00 N ATOM 760 CA GLN A 47 8.083 11.298 -9.082 1.00 25.00 C ATOM 761 C GLN A 47 7.263 12.301 -8.285 1.00 25.00 C ATOM 762 O GLN A 47 7.337 12.329 -7.056 1.00 25.00 O ATOM 763 CB GLN A 47 9.281 12.009 -9.721 1.00 25.00 C ATOM 764 CG GLN A 47 10.256 11.072 -10.433 1.00 25.00 C ATOM 765 CD GLN A 47 11.476 11.793 -10.945 1.00 25.00 C ATOM 766 OE1 GLN A 47 11.385 12.634 -11.813 1.00 25.00 O ATOM 767 NE2 GLN A 47 12.617 11.476 -10.397 1.00 25.00 N ATOM 0 H GLN A 47 7.528 10.839 -11.066 1.00 25.00 H new ATOM 0 HA GLN A 47 8.457 10.518 -8.419 1.00 25.00 H new ATOM 0 HB2 GLN A 47 8.914 12.745 -10.436 1.00 25.00 H new ATOM 0 HB3 GLN A 47 9.819 12.557 -8.948 1.00 25.00 H new ATOM 0 HG2 GLN A 47 10.565 10.284 -9.747 1.00 25.00 H new ATOM 0 HG3 GLN A 47 9.747 10.588 -11.266 1.00 25.00 H new ATOM 0 HE21 GLN A 47 12.652 10.763 -9.669 1.00 25.00 H new ATOM 0 HE22 GLN A 47 13.474 11.942 -10.697 1.00 25.00 H new ATOM 776 N GLN A 48 6.447 13.091 -8.974 1.00 25.00 N ATOM 777 CA GLN A 48 5.597 14.070 -8.311 1.00 25.00 C ATOM 778 C GLN A 48 4.545 13.353 -7.457 1.00 25.00 C ATOM 779 O GLN A 48 4.288 13.738 -6.326 1.00 25.00 O ATOM 780 CB GLN A 48 4.914 14.957 -9.350 1.00 25.00 C ATOM 781 CG GLN A 48 4.345 16.276 -8.800 1.00 25.00 C ATOM 782 CD GLN A 48 3.160 16.100 -7.856 1.00 25.00 C ATOM 783 OE1 GLN A 48 2.284 15.283 -8.074 1.00 25.00 O ATOM 784 NE2 GLN A 48 3.137 16.887 -6.810 1.00 25.00 N ATOM 0 H GLN A 48 6.357 13.072 -9.990 1.00 25.00 H new ATOM 0 HA GLN A 48 6.212 14.696 -7.664 1.00 25.00 H new ATOM 0 HB2 GLN A 48 5.631 15.188 -10.138 1.00 25.00 H new ATOM 0 HB3 GLN A 48 4.104 14.393 -9.812 1.00 25.00 H new ATOM 0 HG2 GLN A 48 5.137 16.810 -8.275 1.00 25.00 H new ATOM 0 HG3 GLN A 48 4.038 16.903 -9.637 1.00 25.00 H new ATOM 0 HE21 GLN A 48 3.889 17.559 -6.661 1.00 25.00 H new ATOM 0 HE22 GLN A 48 2.367 16.828 -6.144 1.00 25.00 H new ATOM 793 N TYR A 49 3.976 12.288 -8.006 1.00 25.00 N ATOM 794 CA TYR A 49 2.950 11.509 -7.322 1.00 25.00 C ATOM 795 C TYR A 49 3.514 10.938 -6.024 1.00 25.00 C ATOM 796 O TYR A 49 2.873 11.020 -4.973 1.00 25.00 O ATOM 797 CB TYR A 49 2.464 10.368 -8.235 1.00 25.00 C ATOM 798 CG TYR A 49 1.131 9.798 -7.833 1.00 25.00 C ATOM 799 CD1 TYR A 49 -0.073 10.485 -8.124 1.00 25.00 C ATOM 800 CD2 TYR A 49 1.041 8.557 -7.158 1.00 25.00 C ATOM 801 CE1 TYR A 49 -1.331 9.948 -7.748 1.00 25.00 C ATOM 802 CE2 TYR A 49 -0.222 8.018 -6.794 1.00 25.00 C ATOM 803 CZ TYR A 49 -1.389 8.714 -7.093 1.00 25.00 C ATOM 804 OH TYR A 49 -2.598 8.175 -6.732 1.00 25.00 O ATOM 0 H TYR A 49 4.211 11.940 -8.935 1.00 25.00 H new ATOM 0 HA TYR A 49 2.106 12.157 -7.086 1.00 25.00 H new ATOM 0 HB2 TYR A 49 2.398 10.737 -9.259 1.00 25.00 H new ATOM 0 HB3 TYR A 49 3.207 9.570 -8.231 1.00 25.00 H new ATOM 0 HD1 TYR A 49 -0.033 11.433 -8.640 1.00 25.00 H new ATOM 0 HD2 TYR A 49 1.943 8.014 -6.917 1.00 25.00 H new ATOM 0 HE1 TYR A 49 -2.239 10.490 -7.967 1.00 25.00 H new ATOM 0 HE2 TYR A 49 -0.276 7.067 -6.285 1.00 25.00 H new ATOM 0 HH TYR A 49 -2.453 7.314 -6.288 1.00 25.00 H new ATOM 814 N MET A 50 4.725 10.426 -6.078 1.00 25.00 N ATOM 815 CA MET A 50 5.379 9.901 -4.884 1.00 25.00 C ATOM 816 C MET A 50 5.672 11.005 -3.880 1.00 25.00 C ATOM 817 O MET A 50 5.463 10.824 -2.688 1.00 25.00 O ATOM 818 CB MET A 50 6.678 9.180 -5.260 1.00 25.00 C ATOM 819 CG MET A 50 7.065 8.101 -4.267 1.00 25.00 C ATOM 820 SD MET A 50 6.723 6.438 -4.925 1.00 25.00 S ATOM 821 CE MET A 50 4.893 6.487 -5.230 1.00 25.00 C ATOM 0 H MET A 50 5.281 10.359 -6.931 1.00 25.00 H new ATOM 0 HA MET A 50 4.696 9.191 -4.418 1.00 25.00 H new ATOM 0 HB2 MET A 50 6.567 8.734 -6.248 1.00 25.00 H new ATOM 0 HB3 MET A 50 7.485 9.909 -5.329 1.00 25.00 H new ATOM 0 HG2 MET A 50 8.125 8.188 -4.027 1.00 25.00 H new ATOM 0 HG3 MET A 50 6.515 8.246 -3.337 1.00 25.00 H new ATOM 0 HE1 MET A 50 4.568 5.535 -5.649 1.00 25.00 H new ATOM 0 HE2 MET A 50 4.372 6.666 -4.289 1.00 25.00 H new ATOM 0 HE3 MET A 50 4.662 7.289 -5.931 1.00 25.00 H new ATOM 831 N GLN A 51 6.118 12.158 -4.359 1.00 25.00 N ATOM 832 CA GLN A 51 6.401 13.291 -3.490 1.00 25.00 C ATOM 833 C GLN A 51 5.122 13.755 -2.807 1.00 25.00 C ATOM 834 O GLN A 51 5.117 14.055 -1.613 1.00 25.00 O ATOM 835 CB GLN A 51 7.008 14.427 -4.308 1.00 25.00 C ATOM 836 CG GLN A 51 7.415 15.618 -3.484 1.00 25.00 C ATOM 837 CD GLN A 51 8.084 16.674 -4.337 1.00 25.00 C ATOM 838 OE1 GLN A 51 9.217 16.521 -4.775 1.00 25.00 O ATOM 839 NE2 GLN A 51 7.381 17.750 -4.577 1.00 25.00 N ATOM 0 H GLN A 51 6.292 12.333 -5.349 1.00 25.00 H new ATOM 0 HA GLN A 51 7.114 12.988 -2.723 1.00 25.00 H new ATOM 0 HB2 GLN A 51 7.881 14.051 -4.843 1.00 25.00 H new ATOM 0 HB3 GLN A 51 6.287 14.747 -5.060 1.00 25.00 H new ATOM 0 HG2 GLN A 51 6.537 16.043 -2.997 1.00 25.00 H new ATOM 0 HG3 GLN A 51 8.096 15.301 -2.694 1.00 25.00 H new ATOM 0 HE21 GLN A 51 6.440 17.840 -4.194 1.00 25.00 H new ATOM 0 HE22 GLN A 51 7.774 18.499 -5.147 1.00 25.00 H new ATOM 848 N GLN A 52 4.024 13.803 -3.544 1.00 25.00 N ATOM 849 CA GLN A 52 2.765 14.236 -2.962 1.00 25.00 C ATOM 850 C GLN A 52 2.296 13.229 -1.924 1.00 25.00 C ATOM 851 O GLN A 52 1.881 13.609 -0.839 1.00 25.00 O ATOM 852 CB GLN A 52 1.703 14.441 -4.048 1.00 25.00 C ATOM 853 CG GLN A 52 0.544 15.308 -3.573 1.00 25.00 C ATOM 854 CD GLN A 52 1.025 16.697 -3.188 1.00 25.00 C ATOM 855 OE1 GLN A 52 1.658 17.384 -3.974 1.00 25.00 O ATOM 856 NE2 GLN A 52 0.759 17.098 -1.975 1.00 25.00 N ATOM 0 H GLN A 52 3.978 13.552 -4.531 1.00 25.00 H new ATOM 0 HA GLN A 52 2.921 15.195 -2.468 1.00 25.00 H new ATOM 0 HB2 GLN A 52 2.165 14.903 -4.921 1.00 25.00 H new ATOM 0 HB3 GLN A 52 1.321 13.471 -4.366 1.00 25.00 H new ATOM 0 HG2 GLN A 52 -0.205 15.384 -4.361 1.00 25.00 H new ATOM 0 HG3 GLN A 52 0.060 14.837 -2.718 1.00 25.00 H new ATOM 0 HE21 GLN A 52 0.227 16.498 -1.345 1.00 25.00 H new ATOM 0 HE22 GLN A 52 1.083 18.012 -1.657 1.00 25.00 H new ATOM 865 N LEU A 53 2.406 11.946 -2.238 1.00 25.00 N ATOM 866 CA LEU A 53 1.986 10.896 -1.317 1.00 25.00 C ATOM 867 C LEU A 53 2.811 10.912 -0.047 1.00 25.00 C ATOM 868 O LEU A 53 2.316 10.577 1.016 1.00 25.00 O ATOM 869 CB LEU A 53 2.117 9.522 -1.964 1.00 25.00 C ATOM 870 CG LEU A 53 1.016 9.103 -2.938 1.00 25.00 C ATOM 871 CD1 LEU A 53 1.430 7.775 -3.592 1.00 25.00 C ATOM 872 CD2 LEU A 53 -0.335 8.932 -2.231 1.00 25.00 C ATOM 0 H LEU A 53 2.782 11.606 -3.123 1.00 25.00 H new ATOM 0 HA LEU A 53 0.942 11.090 -1.070 1.00 25.00 H new ATOM 0 HB2 LEU A 53 3.069 9.487 -2.494 1.00 25.00 H new ATOM 0 HB3 LEU A 53 2.167 8.777 -1.170 1.00 25.00 H new ATOM 0 HG LEU A 53 0.894 9.885 -3.688 1.00 25.00 H new ATOM 0 HD11 LEU A 53 0.657 7.458 -4.292 1.00 25.00 H new ATOM 0 HD12 LEU A 53 2.370 7.910 -4.127 1.00 25.00 H new ATOM 0 HD13 LEU A 53 1.557 7.014 -2.822 1.00 25.00 H new ATOM 0 HD21 LEU A 53 -1.091 8.634 -2.958 1.00 25.00 H new ATOM 0 HD22 LEU A 53 -0.249 8.165 -1.462 1.00 25.00 H new ATOM 0 HD23 LEU A 53 -0.627 9.876 -1.771 1.00 25.00 H new ATOM 884 N TYR A 54 4.054 11.340 -0.154 1.00 25.00 N ATOM 885 CA TYR A 54 4.927 11.461 1.013 1.00 25.00 C ATOM 886 C TYR A 54 4.415 12.563 1.961 1.00 25.00 C ATOM 887 O TYR A 54 4.427 12.389 3.175 1.00 25.00 O ATOM 888 CB TYR A 54 6.361 11.753 0.550 1.00 25.00 C ATOM 889 CG TYR A 54 7.154 12.666 1.470 1.00 25.00 C ATOM 890 CD1 TYR A 54 7.833 12.160 2.587 1.00 25.00 C ATOM 891 CD2 TYR A 54 7.235 14.057 1.205 1.00 25.00 C ATOM 892 CE1 TYR A 54 8.574 13.006 3.435 1.00 25.00 C ATOM 893 CE2 TYR A 54 7.969 14.909 2.058 1.00 25.00 C ATOM 894 CZ TYR A 54 8.640 14.369 3.154 1.00 25.00 C ATOM 895 OH TYR A 54 9.375 15.179 3.976 1.00 25.00 O ATOM 0 H TYR A 54 4.489 11.612 -1.036 1.00 25.00 H new ATOM 0 HA TYR A 54 4.921 10.522 1.566 1.00 25.00 H new ATOM 0 HB2 TYR A 54 6.895 10.808 0.450 1.00 25.00 H new ATOM 0 HB3 TYR A 54 6.323 12.204 -0.442 1.00 25.00 H new ATOM 0 HD1 TYR A 54 7.787 11.102 2.801 1.00 25.00 H new ATOM 0 HD2 TYR A 54 6.731 14.468 0.343 1.00 25.00 H new ATOM 0 HE1 TYR A 54 9.086 12.602 4.295 1.00 25.00 H new ATOM 0 HE2 TYR A 54 8.010 15.970 1.863 1.00 25.00 H new ATOM 0 HH TYR A 54 9.328 16.103 3.653 1.00 25.00 H new ATOM 905 N GLN A 55 3.907 13.657 1.412 1.00 25.00 N ATOM 906 CA GLN A 55 3.343 14.716 2.251 1.00 25.00 C ATOM 907 C GLN A 55 2.037 14.250 2.856 1.00 25.00 C ATOM 908 O GLN A 55 1.705 14.578 3.985 1.00 25.00 O ATOM 909 CB GLN A 55 3.091 15.985 1.449 1.00 25.00 C ATOM 910 CG GLN A 55 4.327 16.524 0.762 1.00 25.00 C ATOM 911 CD GLN A 55 4.087 17.867 0.112 1.00 25.00 C ATOM 912 OE1 GLN A 55 2.959 18.346 0.034 1.00 25.00 O ATOM 913 NE2 GLN A 55 5.148 18.490 -0.338 1.00 25.00 N ATOM 0 H GLN A 55 3.871 13.838 0.409 1.00 25.00 H new ATOM 0 HA GLN A 55 4.065 14.938 3.037 1.00 25.00 H new ATOM 0 HB2 GLN A 55 2.327 15.784 0.698 1.00 25.00 H new ATOM 0 HB3 GLN A 55 2.692 16.751 2.113 1.00 25.00 H new ATOM 0 HG2 GLN A 55 5.133 16.615 1.490 1.00 25.00 H new ATOM 0 HG3 GLN A 55 4.659 15.812 0.006 1.00 25.00 H new ATOM 0 HE21 GLN A 55 6.068 18.057 -0.254 1.00 25.00 H new ATOM 0 HE22 GLN A 55 5.054 19.408 -0.773 1.00 25.00 H new ATOM 922 N VAL A 56 1.292 13.440 2.110 1.00 25.00 N ATOM 923 CA VAL A 56 0.024 12.893 2.607 1.00 25.00 C ATOM 924 C VAL A 56 0.301 11.904 3.733 1.00 25.00 C ATOM 925 O VAL A 56 -0.413 11.883 4.739 1.00 25.00 O ATOM 926 CB VAL A 56 -0.789 12.205 1.440 1.00 25.00 C ATOM 927 CG1 VAL A 56 -2.028 11.467 1.965 1.00 25.00 C ATOM 928 CG2 VAL A 56 -1.203 13.257 0.403 1.00 25.00 C ATOM 0 H VAL A 56 1.538 13.147 1.165 1.00 25.00 H new ATOM 0 HA VAL A 56 -0.585 13.709 2.995 1.00 25.00 H new ATOM 0 HB VAL A 56 -0.139 11.465 0.972 1.00 25.00 H new ATOM 0 HG11 VAL A 56 -2.559 11.008 1.131 1.00 25.00 H new ATOM 0 HG12 VAL A 56 -1.720 10.694 2.669 1.00 25.00 H new ATOM 0 HG13 VAL A 56 -2.687 12.174 2.469 1.00 25.00 H new ATOM 0 HG21 VAL A 56 -1.763 12.776 -0.399 1.00 25.00 H new ATOM 0 HG22 VAL A 56 -1.828 14.012 0.880 1.00 25.00 H new ATOM 0 HG23 VAL A 56 -0.313 13.731 -0.010 1.00 25.00 H new ATOM 938 N GLN A 57 1.379 11.152 3.615 1.00 25.00 N ATOM 939 CA GLN A 57 1.809 10.272 4.689 1.00 25.00 C ATOM 940 C GLN A 57 2.125 11.085 5.936 1.00 25.00 C ATOM 941 O GLN A 57 1.682 10.755 7.032 1.00 25.00 O ATOM 942 CB GLN A 57 3.057 9.497 4.291 1.00 25.00 C ATOM 943 CG GLN A 57 2.756 8.243 3.470 1.00 25.00 C ATOM 944 CD GLN A 57 3.291 6.991 4.126 1.00 25.00 C ATOM 945 OE1 GLN A 57 4.484 6.845 4.343 1.00 25.00 O ATOM 946 NE2 GLN A 57 2.413 6.081 4.447 1.00 25.00 N ATOM 0 H GLN A 57 1.974 11.132 2.787 1.00 25.00 H new ATOM 0 HA GLN A 57 0.997 9.573 4.890 1.00 25.00 H new ATOM 0 HB2 GLN A 57 3.713 10.150 3.716 1.00 25.00 H new ATOM 0 HB3 GLN A 57 3.601 9.211 5.191 1.00 25.00 H new ATOM 0 HG2 GLN A 57 1.678 8.149 3.335 1.00 25.00 H new ATOM 0 HG3 GLN A 57 3.194 8.347 2.477 1.00 25.00 H new ATOM 0 HE21 GLN A 57 1.424 6.235 4.251 1.00 25.00 H new ATOM 0 HE22 GLN A 57 2.716 5.215 4.894 1.00 25.00 H new ATOM 955 N LEU A 58 2.864 12.174 5.774 1.00 25.00 N ATOM 956 CA LEU A 58 3.199 13.034 6.903 1.00 25.00 C ATOM 957 C LEU A 58 1.971 13.717 7.500 1.00 25.00 C ATOM 958 O LEU A 58 1.920 13.923 8.713 1.00 25.00 O ATOM 959 CB LEU A 58 4.203 14.085 6.475 1.00 25.00 C ATOM 960 CG LEU A 58 5.650 13.650 6.247 1.00 25.00 C ATOM 961 CD1 LEU A 58 6.438 14.883 5.819 1.00 25.00 C ATOM 962 CD2 LEU A 58 6.302 13.034 7.494 1.00 25.00 C ATOM 0 H LEU A 58 3.241 12.482 4.878 1.00 25.00 H new ATOM 0 HA LEU A 58 3.629 12.395 7.674 1.00 25.00 H new ATOM 0 HB2 LEU A 58 3.841 14.535 5.551 1.00 25.00 H new ATOM 0 HB3 LEU A 58 4.206 14.870 7.231 1.00 25.00 H new ATOM 0 HG LEU A 58 5.656 12.872 5.483 1.00 25.00 H new ATOM 0 HD11 LEU A 58 7.479 14.608 5.647 1.00 25.00 H new ATOM 0 HD12 LEU A 58 6.013 15.286 4.900 1.00 25.00 H new ATOM 0 HD13 LEU A 58 6.387 15.638 6.604 1.00 25.00 H new ATOM 0 HD21 LEU A 58 7.328 12.747 7.264 1.00 25.00 H new ATOM 0 HD22 LEU A 58 6.302 13.765 8.303 1.00 25.00 H new ATOM 0 HD23 LEU A 58 5.739 12.153 7.801 1.00 25.00 H new ATOM 974 N ALA A 59 0.988 14.031 6.666 1.00 25.00 N ATOM 975 CA ALA A 59 -0.265 14.616 7.152 1.00 25.00 C ATOM 976 C ALA A 59 -0.937 13.653 8.114 1.00 25.00 C ATOM 977 O ALA A 59 -1.446 14.055 9.154 1.00 25.00 O ATOM 978 CB ALA A 59 -1.201 14.920 5.981 1.00 25.00 C ATOM 0 H ALA A 59 1.028 13.894 5.656 1.00 25.00 H new ATOM 0 HA ALA A 59 -0.042 15.549 7.670 1.00 25.00 H new ATOM 0 HB1 ALA A 59 -2.127 15.354 6.358 1.00 25.00 H new ATOM 0 HB2 ALA A 59 -0.719 15.625 5.304 1.00 25.00 H new ATOM 0 HB3 ALA A 59 -1.425 13.998 5.445 1.00 25.00 H new ATOM 984 N GLN A 60 -0.914 12.381 7.786 1.00 25.00 N ATOM 985 CA GLN A 60 -1.507 11.382 8.655 1.00 25.00 C ATOM 986 C GLN A 60 -0.626 11.164 9.905 1.00 25.00 C ATOM 987 O GLN A 60 -1.119 10.921 10.994 1.00 25.00 O ATOM 988 CB GLN A 60 -1.723 10.065 7.906 1.00 25.00 C ATOM 989 CG GLN A 60 -2.704 10.202 6.749 1.00 25.00 C ATOM 990 CD GLN A 60 -3.005 8.883 6.073 1.00 25.00 C ATOM 991 OE1 GLN A 60 -3.499 7.953 6.686 1.00 25.00 O ATOM 992 NE2 GLN A 60 -2.702 8.803 4.803 1.00 25.00 N ATOM 0 H GLN A 60 -0.496 12.013 6.932 1.00 25.00 H new ATOM 0 HA GLN A 60 -2.482 11.746 8.980 1.00 25.00 H new ATOM 0 HB2 GLN A 60 -0.766 9.707 7.526 1.00 25.00 H new ATOM 0 HB3 GLN A 60 -2.091 9.312 8.602 1.00 25.00 H new ATOM 0 HG2 GLN A 60 -3.634 10.636 7.117 1.00 25.00 H new ATOM 0 HG3 GLN A 60 -2.297 10.896 6.014 1.00 25.00 H new ATOM 0 HE21 GLN A 60 -2.290 9.605 4.326 1.00 25.00 H new ATOM 0 HE22 GLN A 60 -2.878 7.939 4.290 1.00 25.00 H new ATOM 1001 N GLN A 61 0.688 11.278 9.740 1.00 25.00 N ATOM 1002 CA GLN A 61 1.610 11.104 10.859 1.00 25.00 C ATOM 1003 C GLN A 61 1.438 12.212 11.893 1.00 25.00 C ATOM 1004 O GLN A 61 1.368 11.929 13.080 1.00 25.00 O ATOM 1005 CB GLN A 61 3.071 11.079 10.390 1.00 25.00 C ATOM 1006 CG GLN A 61 3.431 9.850 9.564 1.00 25.00 C ATOM 1007 CD GLN A 61 4.293 8.886 10.337 1.00 25.00 C ATOM 1008 OE1 GLN A 61 5.463 9.130 10.569 1.00 25.00 O ATOM 1009 NE2 GLN A 61 3.719 7.776 10.735 1.00 25.00 N ATOM 0 H GLN A 61 1.137 11.489 8.849 1.00 25.00 H new ATOM 0 HA GLN A 61 1.369 10.144 11.315 1.00 25.00 H new ATOM 0 HB2 GLN A 61 3.268 11.973 9.799 1.00 25.00 H new ATOM 0 HB3 GLN A 61 3.724 11.123 11.262 1.00 25.00 H new ATOM 0 HG2 GLN A 61 2.518 9.346 9.246 1.00 25.00 H new ATOM 0 HG3 GLN A 61 3.955 10.161 8.660 1.00 25.00 H new ATOM 0 HE21 GLN A 61 2.736 7.605 10.522 1.00 25.00 H new ATOM 0 HE22 GLN A 61 4.255 7.083 11.257 1.00 25.00 H new ATOM 1018 N GLN A 62 1.311 13.463 11.455 1.00 25.00 N ATOM 1019 CA GLN A 62 1.138 14.557 12.403 1.00 25.00 C ATOM 1020 C GLN A 62 -0.232 14.477 13.063 1.00 25.00 C ATOM 1021 O GLN A 62 -0.400 14.921 14.188 1.00 25.00 O ATOM 1022 CB GLN A 62 1.366 15.934 11.766 1.00 25.00 C ATOM 1023 CG GLN A 62 0.313 16.366 10.746 1.00 25.00 C ATOM 1024 CD GLN A 62 0.511 17.793 10.282 1.00 25.00 C ATOM 1025 OE1 GLN A 62 1.471 18.101 9.628 1.00 25.00 O ATOM 1026 NE2 GLN A 62 -0.390 18.662 10.648 1.00 25.00 N ATOM 0 H GLN A 62 1.324 13.739 10.473 1.00 25.00 H new ATOM 0 HA GLN A 62 1.905 14.442 13.169 1.00 25.00 H new ATOM 0 HB2 GLN A 62 1.407 16.680 12.559 1.00 25.00 H new ATOM 0 HB3 GLN A 62 2.341 15.933 11.279 1.00 25.00 H new ATOM 0 HG2 GLN A 62 0.350 15.698 9.885 1.00 25.00 H new ATOM 0 HG3 GLN A 62 -0.679 16.264 11.186 1.00 25.00 H new ATOM 0 HE21 GLN A 62 -1.192 18.362 11.203 1.00 25.00 H new ATOM 0 HE22 GLN A 62 -0.293 19.641 10.379 1.00 25.00 H new ATOM 1035 N ALA A 63 -1.210 13.882 12.387 1.00 25.00 N ATOM 1036 CA ALA A 63 -2.528 13.680 12.975 1.00 25.00 C ATOM 1037 C ALA A 63 -2.461 12.609 14.067 1.00 25.00 C ATOM 1038 O ALA A 63 -3.151 12.689 15.072 1.00 25.00 O ATOM 1039 CB ALA A 63 -3.542 13.282 11.900 1.00 25.00 C ATOM 0 H ALA A 63 -1.114 13.532 11.434 1.00 25.00 H new ATOM 0 HA ALA A 63 -2.854 14.618 13.424 1.00 25.00 H new ATOM 0 HB1 ALA A 63 -4.520 13.136 12.359 1.00 25.00 H new ATOM 0 HB2 ALA A 63 -3.607 14.071 11.151 1.00 25.00 H new ATOM 0 HB3 ALA A 63 -3.222 12.355 11.424 1.00 25.00 H new ATOM 1045 N ALA A 64 -1.614 11.605 13.874 1.00 25.00 N ATOM 1046 CA ALA A 64 -1.467 10.548 14.867 1.00 25.00 C ATOM 1047 C ALA A 64 -0.701 11.073 16.077 1.00 25.00 C ATOM 1048 O ALA A 64 -1.053 10.786 17.218 1.00 25.00 O ATOM 1049 CB ALA A 64 -0.725 9.340 14.247 1.00 25.00 C ATOM 0 H ALA A 64 -1.024 11.501 13.048 1.00 25.00 H new ATOM 0 HA ALA A 64 -2.456 10.224 15.191 1.00 25.00 H new ATOM 0 HB1 ALA A 64 -0.619 8.555 14.996 1.00 25.00 H new ATOM 0 HB2 ALA A 64 -1.295 8.959 13.399 1.00 25.00 H new ATOM 0 HB3 ALA A 64 0.262 9.654 13.909 1.00 25.00 H new ATOM 1055 N LEU A 65 0.313 11.883 15.803 1.00 25.00 N ATOM 1056 CA LEU A 65 1.106 12.487 16.863 1.00 25.00 C ATOM 1057 C LEU A 65 0.278 13.485 17.663 1.00 25.00 C ATOM 1058 O LEU A 65 0.430 13.569 18.879 1.00 25.00 O ATOM 1059 CB LEU A 65 2.319 13.201 16.263 1.00 25.00 C ATOM 1060 CG LEU A 65 3.404 12.291 15.662 1.00 25.00 C ATOM 1061 CD1 LEU A 65 4.425 13.126 14.896 1.00 25.00 C ATOM 1062 CD2 LEU A 65 4.120 11.476 16.741 1.00 25.00 C ATOM 0 H LEU A 65 0.604 12.136 14.859 1.00 25.00 H new ATOM 0 HA LEU A 65 1.438 11.693 17.532 1.00 25.00 H new ATOM 0 HB2 LEU A 65 1.969 13.879 15.485 1.00 25.00 H new ATOM 0 HB3 LEU A 65 2.776 13.815 17.039 1.00 25.00 H new ATOM 0 HG LEU A 65 2.909 11.597 14.982 1.00 25.00 H new ATOM 0 HD11 LEU A 65 5.188 12.471 14.475 1.00 25.00 H new ATOM 0 HD12 LEU A 65 3.924 13.664 14.091 1.00 25.00 H new ATOM 0 HD13 LEU A 65 4.893 13.840 15.574 1.00 25.00 H new ATOM 0 HD21 LEU A 65 4.879 10.846 16.277 1.00 25.00 H new ATOM 0 HD22 LEU A 65 4.595 12.152 17.452 1.00 25.00 H new ATOM 0 HD23 LEU A 65 3.397 10.849 17.263 1.00 25.00 H new ATOM 1074 N GLN A 66 -0.555 14.248 16.955 1.00 25.00 N ATOM 1075 CA GLN A 66 -1.440 15.298 17.512 1.00 25.00 C ATOM 1076 C GLN A 66 -0.815 16.110 18.667 1.00 25.00 C ATOM 1077 O GLN A 66 -1.465 16.460 19.654 1.00 25.00 O ATOM 1078 CB GLN A 66 -2.817 14.702 17.892 1.00 25.00 C ATOM 1079 CG GLN A 66 -2.792 13.526 18.896 1.00 25.00 C ATOM 1080 CD GLN A 66 -4.090 12.749 18.918 1.00 25.00 C ATOM 1081 OE1 GLN A 66 -5.158 13.286 19.163 1.00 25.00 O ATOM 1082 NE2 GLN A 66 -4.004 11.478 18.619 1.00 25.00 N ATOM 0 H GLN A 66 -0.643 14.157 15.943 1.00 25.00 H new ATOM 0 HA GLN A 66 -1.585 16.029 16.717 1.00 25.00 H new ATOM 0 HB2 GLN A 66 -3.432 15.498 18.311 1.00 25.00 H new ATOM 0 HB3 GLN A 66 -3.309 14.365 16.980 1.00 25.00 H new ATOM 0 HG2 GLN A 66 -1.974 12.852 18.640 1.00 25.00 H new ATOM 0 HG3 GLN A 66 -2.587 13.911 19.895 1.00 25.00 H new ATOM 0 HE21 GLN A 66 -3.095 11.061 18.420 1.00 25.00 H new ATOM 0 HE22 GLN A 66 -4.846 10.904 18.585 1.00 25.00 H new ATOM 1091 N LYS A 67 0.473 16.398 18.529 1.00 25.00 N ATOM 1092 CA LYS A 67 1.251 17.079 19.567 1.00 25.00 C ATOM 1093 C LYS A 67 1.561 18.525 19.181 1.00 25.00 C ATOM 1094 O LYS A 67 2.605 19.084 19.535 1.00 25.00 O ATOM 1095 CB LYS A 67 2.522 16.281 19.855 1.00 25.00 C ATOM 1096 CG LYS A 67 2.858 16.247 21.331 1.00 25.00 C ATOM 1097 CD LYS A 67 4.032 15.326 21.607 1.00 25.00 C ATOM 1098 CE LYS A 67 4.276 15.219 23.111 1.00 25.00 C ATOM 1099 NZ LYS A 67 5.439 14.319 23.412 1.00 25.00 N ATOM 0 H LYS A 67 1.012 16.167 17.695 1.00 25.00 H new ATOM 0 HA LYS A 67 0.656 17.127 20.479 1.00 25.00 H new ATOM 0 HB2 LYS A 67 2.399 15.262 19.489 1.00 25.00 H new ATOM 0 HB3 LYS A 67 3.355 16.718 19.305 1.00 25.00 H new ATOM 0 HG2 LYS A 67 3.094 17.254 21.676 1.00 25.00 H new ATOM 0 HG3 LYS A 67 1.989 15.912 21.897 1.00 25.00 H new ATOM 0 HD2 LYS A 67 3.834 14.338 21.192 1.00 25.00 H new ATOM 0 HD3 LYS A 67 4.926 15.706 21.112 1.00 25.00 H new ATOM 0 HE2 LYS A 67 4.465 16.211 23.522 1.00 25.00 H new ATOM 0 HE3 LYS A 67 3.381 14.836 23.601 1.00 25.00 H new ATOM 0 HZ1 LYS A 67 5.580 14.266 24.441 1.00 25.00 H new ATOM 0 HZ2 LYS A 67 5.247 13.367 23.040 1.00 25.00 H new ATOM 0 HZ3 LYS A 67 6.297 14.699 22.964 1.00 25.00 H new ATOM 1113 N GLN A 68 0.635 19.136 18.466 1.00 25.00 N ATOM 1114 CA GLN A 68 0.755 20.539 18.086 1.00 25.00 C ATOM 1115 C GLN A 68 0.238 21.381 19.249 1.00 25.00 C ATOM 1116 O GLN A 68 -0.840 21.963 19.218 1.00 25.00 O ATOM 1117 CB GLN A 68 -0.036 20.808 16.796 1.00 25.00 C ATOM 1118 CG GLN A 68 0.619 20.200 15.545 1.00 25.00 C ATOM 1119 CD GLN A 68 -0.368 19.460 14.667 1.00 25.00 C ATOM 1120 OE1 GLN A 68 -1.163 20.062 13.963 1.00 25.00 O ATOM 1121 NE2 GLN A 68 -0.314 18.155 14.703 1.00 25.00 N ATOM 0 H GLN A 68 -0.216 18.683 18.133 1.00 25.00 H new ATOM 0 HA GLN A 68 1.794 20.800 17.883 1.00 25.00 H new ATOM 0 HB2 GLN A 68 -1.043 20.404 16.904 1.00 25.00 H new ATOM 0 HB3 GLN A 68 -0.138 21.884 16.658 1.00 25.00 H new ATOM 0 HG2 GLN A 68 1.090 20.994 14.965 1.00 25.00 H new ATOM 0 HG3 GLN A 68 1.410 19.516 15.851 1.00 25.00 H new ATOM 0 HE21 GLN A 68 0.365 17.689 15.305 1.00 25.00 H new ATOM 0 HE22 GLN A 68 -0.951 17.602 14.129 1.00 25.00 H new ATOM 1130 N GLN A 69 0.993 21.338 20.352 1.00 25.00 N ATOM 1131 CA GLN A 69 0.615 21.926 21.642 1.00 25.00 C ATOM 1132 C GLN A 69 0.822 23.438 21.698 1.00 25.00 C ATOM 1133 O GLN A 69 0.058 24.202 22.240 1.00 25.00 O ATOM 1134 CB GLN A 69 1.360 21.213 22.789 1.00 25.00 C ATOM 1135 CG GLN A 69 1.060 19.691 22.796 1.00 25.00 C ATOM 1136 CD GLN A 69 1.816 18.983 23.883 1.00 25.00 C ATOM 1137 OE1 GLN A 69 3.015 18.851 23.917 1.00 25.00 O ATOM 1138 NE2 GLN A 69 1.067 18.459 24.852 1.00 25.00 N ATOM 1139 OXT GLN A 69 1.910 23.851 21.138 1.00 25.00 O ATOM 0 H GLN A 69 1.905 20.883 20.373 1.00 25.00 H new ATOM 0 HA GLN A 69 -0.457 21.771 21.763 1.00 25.00 H new ATOM 0 HB2 GLN A 69 2.433 21.374 22.684 1.00 25.00 H new ATOM 0 HB3 GLN A 69 1.064 21.648 23.744 1.00 25.00 H new ATOM 0 HG2 GLN A 69 -0.010 19.531 22.933 1.00 25.00 H new ATOM 0 HG3 GLN A 69 1.325 19.263 21.829 1.00 25.00 H new ATOM 0 HE21 GLN A 69 0.053 18.568 24.828 1.00 25.00 H new ATOM 0 HE22 GLN A 69 1.507 17.949 25.618 1.00 25.00 H new TER 1149 GLN A 69