USER MOD reduce.3.24.130724 H: found=0, std=0, add=566, rem=0, adj=13 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 180:sc= 0 USER MOD Set 1.2: A 50 MET CE :methyl 155:sc= -0.588 (180deg=-2.43!) USER MOD Set 2.1: A 15 THR OG1 : rot -85:sc= 1.3 USER MOD Set 2.2: A 42 GLN : amide:sc=-0.00117 K(o=1.3,f=0.14) USER MOD Single : A 1 MET CE :methyl 179:sc= 0 (180deg=-0.00402) 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) USER MOD Single : A 3 GLN : amide:sc= -0.149 X(o=-0.15,f=-0.15) 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=-0.19) USER MOD Single : A 6 GLN : amide:sc= 0 X(o=0,f=-0.32) USER MOD Single : A 8 MET CE :methyl 152:sc= -0.108 (180deg=-0.649) USER MOD Single : A 12 ASN :FLIP amide:sc= -1.09 F(o=-2.3,f=-1.1) USER MOD Single : A 13 SER OG : rot 74:sc= 0.946 USER MOD Single : A 14 GLN : amide:sc= -0.0744 X(o=-0.074,f=-0.4) USER MOD Single : A 18 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 20 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 21 GLN : amide:sc= 0 X(o=0,f=0) 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= -0.0319 X(o=-0.032,f=-0.3) USER MOD Single : A 27 TYR OH : rot 180:sc= 0 USER MOD Single : A 30 ASN : amide:sc= 0 K(o=0,f=-1) USER MOD Single : A 31 TYR OH : rot 180:sc= 0 USER MOD Single : A 33 GLN : amide:sc= -0.061 X(o=-0.061,f=-0.061) USER MOD Single : A 34 GLN : amide:sc= 1.14 K(o=1.1,f=-0.51) USER MOD Single : A 35 GLN : amide:sc= -0.332 X(o=-0.33,f=-0.5) USER MOD Single : A 40 GLN : amide:sc= 0 K(o=0,f=-0.64) USER MOD Single : A 44 GLN : amide:sc= -0.122 K(o=-0.12,f=-0.92) USER MOD Single : A 45 HIS :FLIP no HD1:sc= -0.0616 F(o=-0.85,f=-0.062) USER MOD Single : A 47 GLN : amide:sc= 0 X(o=0,f=-0.43) USER MOD Single : A 48 GLN : amide:sc= 0 X(o=0,f=-0.01) USER MOD Single : A 49 TYR OH : rot 180:sc= 0 USER MOD Single : A 51 GLN : amide:sc= -0.0058 K(o=-0.0058,f=-1.4) USER MOD Single : A 52 GLN : amide:sc= -0.0494 X(o=-0.049,f=-0.24) USER MOD Single : A 54 TYR OH : rot 180:sc= 0 USER MOD Single : A 55 GLN : amide:sc=-0.00187 X(o=-0.0019,f=0) USER MOD Single : A 57 GLN : amide:sc= 0 X(o=0,f=-0.013) USER MOD Single : A 60 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 61 GLN : amide:sc= -0.0623 K(o=-0.062,f=-1.4!) USER MOD Single : A 62 GLN : amide:sc=-0.00563 K(o=-0.0056,f=-0.57) USER MOD Single : A 66 GLN : amide:sc= -0.233 X(o=-0.23,f=-0.38) 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=-0.43) USER MOD Single : A 69 GLN : amide:sc= 0 X(o=0,f=0) USER MOD ----------------------------------------------------------------- ATOM 1 N MET A 1 3.511 -0.790 0.046 1.00 25.00 N ATOM 2 CA MET A 1 4.790 -1.440 0.518 1.00 25.00 C ATOM 3 C MET A 1 5.853 -1.638 -0.570 1.00 25.00 C ATOM 4 O MET A 1 6.213 -2.724 -0.975 1.00 25.00 O ATOM 5 CB MET A 1 4.389 -2.794 1.137 1.00 25.00 C ATOM 6 CG MET A 1 5.389 -3.243 2.256 1.00 25.00 C ATOM 7 SD MET A 1 4.814 -4.720 3.163 1.00 25.00 S ATOM 8 CE MET A 1 4.952 -6.009 1.908 1.00 25.00 C ATOM 0 H1 MET A 1 2.853 -0.697 0.846 1.00 25.00 H new ATOM 0 H2 MET A 1 3.722 0.152 -0.340 1.00 25.00 H new ATOM 0 H3 MET A 1 3.075 -1.377 -0.694 1.00 25.00 H new ATOM 0 HA MET A 1 5.269 -0.773 1.235 1.00 25.00 H new ATOM 0 HB2 MET A 1 3.385 -2.719 1.556 1.00 25.00 H new ATOM 0 HB3 MET A 1 4.353 -3.554 0.356 1.00 25.00 H new ATOM 0 HG2 MET A 1 6.360 -3.452 1.807 1.00 25.00 H new ATOM 0 HG3 MET A 1 5.533 -2.423 2.959 1.00 25.00 H new ATOM 0 HE1 MET A 1 4.649 -6.966 2.334 1.00 25.00 H new ATOM 0 HE2 MET A 1 4.305 -5.766 1.065 1.00 25.00 H new ATOM 0 HE3 MET A 1 5.985 -6.075 1.566 1.00 25.00 H new ATOM 19 N GLN A 2 6.347 -0.498 -1.127 1.00 25.00 N ATOM 20 CA GLN A 2 7.329 -0.500 -2.228 1.00 25.00 C ATOM 21 C GLN A 2 6.856 -1.282 -3.504 1.00 25.00 C ATOM 22 O GLN A 2 7.655 -1.642 -4.371 1.00 25.00 O ATOM 23 CB GLN A 2 8.706 -1.044 -1.779 1.00 25.00 C ATOM 24 CG GLN A 2 9.097 -0.396 -0.491 1.00 25.00 C ATOM 25 CD GLN A 2 10.403 -0.928 0.065 1.00 25.00 C ATOM 26 OE1 GLN A 2 11.438 -0.360 -0.150 1.00 25.00 O ATOM 27 NE2 GLN A 2 10.347 -2.004 0.785 1.00 25.00 N ATOM 0 H GLN A 2 6.073 0.436 -0.823 1.00 25.00 H new ATOM 0 HA GLN A 2 7.424 0.550 -2.505 1.00 25.00 H new ATOM 0 HB2 GLN A 2 8.660 -2.126 -1.656 1.00 25.00 H new ATOM 0 HB3 GLN A 2 9.456 -0.842 -2.543 1.00 25.00 H new ATOM 0 HG2 GLN A 2 9.184 0.680 -0.643 1.00 25.00 H new ATOM 0 HG3 GLN A 2 8.306 -0.551 0.243 1.00 25.00 H new ATOM 0 HE21 GLN A 2 9.450 -2.462 0.948 1.00 25.00 H new ATOM 0 HE22 GLN A 2 11.199 -2.393 1.188 1.00 25.00 H new ATOM 36 N GLN A 3 5.555 -1.463 -3.670 1.00 25.00 N ATOM 37 CA GLN A 3 5.024 -2.094 -4.841 1.00 25.00 C ATOM 38 C GLN A 3 4.825 -1.045 -5.973 1.00 25.00 C ATOM 39 O GLN A 3 3.709 -0.790 -6.447 1.00 25.00 O ATOM 40 CB GLN A 3 3.777 -2.868 -4.459 1.00 25.00 C ATOM 41 CG GLN A 3 3.737 -4.286 -5.006 1.00 25.00 C ATOM 42 CD GLN A 3 4.829 -5.222 -4.455 1.00 25.00 C ATOM 43 OE1 GLN A 3 5.777 -5.518 -5.146 1.00 25.00 O ATOM 44 NE2 GLN A 3 4.703 -5.682 -3.253 1.00 25.00 N ATOM 0 H GLN A 3 4.850 -1.173 -2.992 1.00 25.00 H new ATOM 0 HA GLN A 3 5.722 -2.822 -5.253 1.00 25.00 H new ATOM 0 HB2 GLN A 3 3.705 -2.907 -3.372 1.00 25.00 H new ATOM 0 HB3 GLN A 3 2.902 -2.326 -4.818 1.00 25.00 H new ATOM 0 HG2 GLN A 3 2.761 -4.719 -4.784 1.00 25.00 H new ATOM 0 HG3 GLN A 3 3.828 -4.244 -6.091 1.00 25.00 H new ATOM 0 HE21 GLN A 3 3.895 -5.419 -2.688 1.00 25.00 H new ATOM 0 HE22 GLN A 3 5.411 -6.308 -2.870 1.00 25.00 H new ATOM 53 N LYS A 4 5.929 -0.468 -6.431 1.00 25.00 N ATOM 54 CA LYS A 4 5.916 0.566 -7.476 1.00 25.00 C ATOM 55 C LYS A 4 5.139 0.186 -8.714 1.00 25.00 C ATOM 56 O LYS A 4 4.456 0.997 -9.313 1.00 25.00 O ATOM 57 CB LYS A 4 7.374 0.907 -7.871 1.00 25.00 C ATOM 58 CG LYS A 4 7.546 2.070 -8.814 1.00 25.00 C ATOM 59 CD LYS A 4 9.038 2.402 -9.048 1.00 25.00 C ATOM 60 CE LYS A 4 9.631 3.111 -7.835 1.00 25.00 C ATOM 61 NZ LYS A 4 11.147 3.398 -7.976 1.00 25.00 N ATOM 0 H LYS A 4 6.863 -0.699 -6.093 1.00 25.00 H new ATOM 0 HA LYS A 4 5.404 1.428 -7.049 1.00 25.00 H new ATOM 0 HB2 LYS A 4 7.937 1.116 -6.961 1.00 25.00 H new ATOM 0 HB3 LYS A 4 7.822 0.025 -8.328 1.00 25.00 H new ATOM 0 HG2 LYS A 4 7.071 1.839 -9.767 1.00 25.00 H new ATOM 0 HG3 LYS A 4 7.038 2.945 -8.409 1.00 25.00 H new ATOM 0 HD2 LYS A 4 9.593 1.485 -9.246 1.00 25.00 H new ATOM 0 HD3 LYS A 4 9.141 3.034 -9.930 1.00 25.00 H new ATOM 0 HE2 LYS A 4 9.103 4.052 -7.678 1.00 25.00 H new ATOM 0 HE3 LYS A 4 9.465 2.500 -6.948 1.00 25.00 H new ATOM 0 HZ1 LYS A 4 11.490 3.880 -7.121 1.00 25.00 H new ATOM 0 HZ2 LYS A 4 11.660 2.502 -8.097 1.00 25.00 H new ATOM 0 HZ3 LYS A 4 11.310 4.005 -8.805 1.00 25.00 H new ATOM 75 N GLN A 5 5.251 -1.051 -9.148 1.00 25.00 N ATOM 76 CA GLN A 5 4.622 -1.441 -10.417 1.00 25.00 C ATOM 77 C GLN A 5 3.093 -1.405 -10.273 1.00 25.00 C ATOM 78 O GLN A 5 2.389 -1.103 -11.238 1.00 25.00 O ATOM 79 CB GLN A 5 5.084 -2.830 -10.817 1.00 25.00 C ATOM 80 CG GLN A 5 6.551 -2.834 -11.244 1.00 25.00 C ATOM 81 CD GLN A 5 6.988 -4.103 -11.869 1.00 25.00 C ATOM 82 OE1 GLN A 5 6.609 -5.138 -11.432 1.00 25.00 O ATOM 83 NE2 GLN A 5 7.759 -4.036 -12.944 1.00 25.00 N ATOM 0 H GLN A 5 5.755 -1.795 -8.665 1.00 25.00 H new ATOM 0 HA GLN A 5 4.917 -0.738 -11.196 1.00 25.00 H new ATOM 0 HB2 GLN A 5 4.946 -3.515 -9.980 1.00 25.00 H new ATOM 0 HB3 GLN A 5 4.465 -3.198 -11.635 1.00 25.00 H new ATOM 0 HG2 GLN A 5 6.717 -2.018 -11.947 1.00 25.00 H new ATOM 0 HG3 GLN A 5 7.174 -2.636 -10.372 1.00 25.00 H new ATOM 0 HE21 GLN A 5 8.068 -3.129 -13.294 1.00 25.00 H new ATOM 0 HE22 GLN A 5 8.044 -4.891 -13.421 1.00 25.00 H new ATOM 92 N GLN A 6 2.580 -1.694 -9.082 1.00 25.00 N ATOM 93 CA GLN A 6 1.115 -1.647 -8.864 1.00 25.00 C ATOM 94 C GLN A 6 0.602 -0.245 -8.856 1.00 25.00 C ATOM 95 O GLN A 6 -0.405 0.037 -9.443 1.00 25.00 O ATOM 96 CB GLN A 6 0.685 -2.297 -7.558 1.00 25.00 C ATOM 97 CG GLN A 6 0.767 -3.833 -7.553 1.00 25.00 C ATOM 98 CD GLN A 6 0.133 -4.426 -6.289 1.00 25.00 C ATOM 99 OE1 GLN A 6 0.348 -3.928 -5.180 1.00 25.00 O ATOM 100 NE2 GLN A 6 -0.627 -5.488 -6.442 1.00 25.00 N ATOM 0 H GLN A 6 3.129 -1.958 -8.264 1.00 25.00 H new ATOM 0 HA GLN A 6 0.693 -2.206 -9.699 1.00 25.00 H new ATOM 0 HB2 GLN A 6 1.308 -1.910 -6.752 1.00 25.00 H new ATOM 0 HB3 GLN A 6 -0.341 -2.000 -7.339 1.00 25.00 H new ATOM 0 HG2 GLN A 6 0.262 -4.228 -8.434 1.00 25.00 H new ATOM 0 HG3 GLN A 6 1.810 -4.143 -7.618 1.00 25.00 H new ATOM 0 HE21 GLN A 6 -0.783 -5.873 -7.373 1.00 25.00 H new ATOM 0 HE22 GLN A 6 -1.060 -5.926 -5.629 1.00 25.00 H new ATOM 109 N ILE A 7 1.384 0.667 -8.291 1.00 25.00 N ATOM 110 CA ILE A 7 1.026 2.099 -8.247 1.00 25.00 C ATOM 111 C ILE A 7 1.056 2.654 -9.647 1.00 25.00 C ATOM 112 O ILE A 7 0.147 3.443 -10.025 1.00 25.00 O ATOM 113 CB ILE A 7 2.062 2.927 -7.343 1.00 25.00 C ATOM 114 CG1 ILE A 7 2.010 2.373 -5.890 1.00 25.00 C ATOM 115 CG2 ILE A 7 1.785 4.457 -7.431 1.00 25.00 C ATOM 116 CD1 ILE A 7 3.304 2.568 -5.073 1.00 25.00 C ATOM 0 H ILE A 7 2.278 0.449 -7.851 1.00 25.00 H new ATOM 0 HA ILE A 7 0.031 2.193 -7.813 1.00 25.00 H new ATOM 0 HB ILE A 7 3.078 2.796 -7.715 1.00 25.00 H new ATOM 0 HG12 ILE A 7 1.188 2.856 -5.362 1.00 25.00 H new ATOM 0 HG13 ILE A 7 1.781 1.308 -5.931 1.00 25.00 H new ATOM 0 HG21 ILE A 7 2.502 4.993 -6.809 1.00 25.00 H new ATOM 0 HG22 ILE A 7 1.885 4.786 -8.465 1.00 25.00 H new ATOM 0 HG23 ILE A 7 0.774 4.664 -7.081 1.00 25.00 H new ATOM 0 HD11 ILE A 7 3.171 2.150 -4.075 1.00 25.00 H new ATOM 0 HD12 ILE A 7 4.129 2.060 -5.572 1.00 25.00 H new ATOM 0 HD13 ILE A 7 3.528 3.632 -4.994 1.00 25.00 H new ATOM 128 N MET A 8 2.041 2.248 -10.408 1.00 25.00 N ATOM 129 CA MET A 8 2.206 2.730 -11.787 1.00 25.00 C ATOM 130 C MET A 8 1.085 2.239 -12.689 1.00 25.00 C ATOM 131 O MET A 8 0.612 2.968 -13.541 1.00 25.00 O ATOM 132 CB MET A 8 3.532 2.218 -12.318 1.00 25.00 C ATOM 133 CG MET A 8 4.732 2.990 -11.734 1.00 25.00 C ATOM 134 SD MET A 8 4.837 4.540 -12.609 1.00 25.00 S ATOM 135 CE MET A 8 6.503 4.745 -12.838 1.00 25.00 C ATOM 0 H MET A 8 2.753 1.581 -10.108 1.00 25.00 H new ATOM 0 HA MET A 8 2.179 3.820 -11.781 1.00 25.00 H new ATOM 0 HB2 MET A 8 3.632 1.159 -12.079 1.00 25.00 H new ATOM 0 HB3 MET A 8 3.543 2.302 -13.405 1.00 25.00 H new ATOM 0 HG2 MET A 8 4.597 3.159 -10.666 1.00 25.00 H new ATOM 0 HG3 MET A 8 5.652 2.418 -11.853 1.00 25.00 H new ATOM 0 HE1 MET A 8 6.677 5.338 -13.736 1.00 25.00 H new ATOM 0 HE2 MET A 8 6.928 5.259 -11.976 1.00 25.00 H new ATOM 0 HE3 MET A 8 6.978 3.770 -12.950 1.00 25.00 H new ATOM 145 N ALA A 9 0.619 1.019 -12.475 1.00 25.00 N ATOM 146 CA ALA A 9 -0.500 0.510 -13.276 1.00 25.00 C ATOM 147 C ALA A 9 -1.712 1.452 -13.096 1.00 25.00 C ATOM 148 O ALA A 9 -2.400 1.834 -14.044 1.00 25.00 O ATOM 149 CB ALA A 9 -0.822 -0.915 -12.839 1.00 25.00 C ATOM 0 H ALA A 9 0.981 0.372 -11.775 1.00 25.00 H new ATOM 0 HA ALA A 9 -0.240 0.486 -14.334 1.00 25.00 H new ATOM 0 HB1 ALA A 9 -1.653 -1.298 -13.431 1.00 25.00 H new ATOM 0 HB2 ALA A 9 0.053 -1.548 -12.989 1.00 25.00 H new ATOM 0 HB3 ALA A 9 -1.096 -0.919 -11.784 1.00 25.00 H new ATOM 155 N ALA A 10 -1.924 1.892 -11.862 1.00 25.00 N ATOM 156 CA ALA A 10 -3.042 2.776 -11.508 1.00 25.00 C ATOM 157 C ALA A 10 -2.856 4.164 -12.109 1.00 25.00 C ATOM 158 O ALA A 10 -3.748 4.678 -12.789 1.00 25.00 O ATOM 159 CB ALA A 10 -3.182 2.853 -9.962 1.00 25.00 C ATOM 0 H ALA A 10 -1.327 1.649 -11.072 1.00 25.00 H new ATOM 0 HA ALA A 10 -3.960 2.361 -11.924 1.00 25.00 H new ATOM 0 HB1 ALA A 10 -4.013 3.510 -9.704 1.00 25.00 H new ATOM 0 HB2 ALA A 10 -3.371 1.856 -9.564 1.00 25.00 H new ATOM 0 HB3 ALA A 10 -2.261 3.247 -9.532 1.00 25.00 H new ATOM 165 N LEU A 11 -1.678 4.752 -11.908 1.00 25.00 N ATOM 166 CA LEU A 11 -1.374 6.068 -12.472 1.00 25.00 C ATOM 167 C LEU A 11 -1.415 6.017 -14.005 1.00 25.00 C ATOM 168 O LEU A 11 -1.764 6.975 -14.642 1.00 25.00 O ATOM 169 CB LEU A 11 0.039 6.561 -12.047 1.00 25.00 C ATOM 170 CG LEU A 11 0.203 6.752 -10.531 1.00 25.00 C ATOM 171 CD1 LEU A 11 1.648 7.269 -10.169 1.00 25.00 C ATOM 172 CD2 LEU A 11 -0.824 7.660 -9.944 1.00 25.00 C ATOM 0 H LEU A 11 -0.921 4.341 -11.362 1.00 25.00 H new ATOM 0 HA LEU A 11 -2.128 6.757 -12.091 1.00 25.00 H new ATOM 0 HB2 LEU A 11 0.783 5.844 -12.395 1.00 25.00 H new ATOM 0 HB3 LEU A 11 0.249 7.507 -12.547 1.00 25.00 H new ATOM 0 HG LEU A 11 0.056 5.766 -10.090 1.00 25.00 H new ATOM 0 HD11 LEU A 11 1.730 7.393 -9.089 1.00 25.00 H new ATOM 0 HD12 LEU A 11 2.389 6.545 -10.508 1.00 25.00 H new ATOM 0 HD13 LEU A 11 1.825 8.226 -10.659 1.00 25.00 H new ATOM 0 HD21 LEU A 11 -0.655 7.755 -8.871 1.00 25.00 H new ATOM 0 HD22 LEU A 11 -0.751 8.642 -10.411 1.00 25.00 H new ATOM 0 HD23 LEU A 11 -1.818 7.248 -10.120 1.00 25.00 H new ATOM 184 N ASN A 12 -1.025 4.891 -14.628 1.00 25.00 N ATOM 185 CA ASN A 12 -1.030 4.771 -16.108 1.00 25.00 C ATOM 186 C ASN A 12 -2.476 4.744 -16.587 1.00 25.00 C ATOM 187 O ASN A 12 -2.798 5.301 -17.642 1.00 25.00 O ATOM 188 CB ASN A 12 -0.315 3.467 -16.575 1.00 25.00 C ATOM 189 CG ASN A 12 1.165 3.439 -16.230 1.00 25.00 C ATOM 190 OD1 ASN A 12 1.764 4.562 -15.970 1.00 25.00 O flip ATOM 191 ND2 ASN A 12 1.760 2.381 -16.295 1.00 25.00 N flip ATOM 0 H ASN A 12 -0.704 4.055 -14.140 1.00 25.00 H new ATOM 0 HA ASN A 12 -0.494 5.622 -16.529 1.00 25.00 H new ATOM 0 HB2 ASN A 12 -0.805 2.608 -16.117 1.00 25.00 H new ATOM 0 HB3 ASN A 12 -0.432 3.363 -17.654 1.00 25.00 H new ATOM 0 HD21 ASN A 12 1.251 1.522 -16.502 1.00 25.00 H new ATOM 0 HD22 ASN A 12 2.768 2.353 -16.143 1.00 25.00 H new ATOM 198 N SER A 13 -3.334 4.165 -15.774 1.00 25.00 N ATOM 199 CA SER A 13 -4.777 4.038 -16.126 1.00 25.00 C ATOM 200 C SER A 13 -5.383 5.410 -16.106 1.00 25.00 C ATOM 201 O SER A 13 -6.162 5.743 -16.962 1.00 25.00 O ATOM 202 CB SER A 13 -5.491 3.104 -15.128 1.00 25.00 C ATOM 203 OG SER A 13 -4.990 1.784 -15.213 1.00 25.00 O ATOM 0 H SER A 13 -3.084 3.770 -14.867 1.00 25.00 H new ATOM 0 HA SER A 13 -4.889 3.602 -17.119 1.00 25.00 H new ATOM 0 HB2 SER A 13 -5.358 3.481 -14.114 1.00 25.00 H new ATOM 0 HB3 SER A 13 -6.562 3.103 -15.330 1.00 25.00 H new ATOM 0 HG SER A 13 -4.099 1.746 -14.808 1.00 25.00 H new ATOM 209 N GLN A 14 -5.047 6.171 -15.088 1.00 25.00 N ATOM 210 CA GLN A 14 -5.583 7.526 -14.869 1.00 25.00 C ATOM 211 C GLN A 14 -5.068 8.573 -15.877 1.00 25.00 C ATOM 212 O GLN A 14 -5.652 9.637 -16.030 1.00 25.00 O ATOM 213 CB GLN A 14 -5.208 8.003 -13.457 1.00 25.00 C ATOM 214 CG GLN A 14 -5.932 7.271 -12.349 1.00 25.00 C ATOM 215 CD GLN A 14 -7.447 7.412 -12.432 1.00 25.00 C ATOM 216 OE1 GLN A 14 -7.941 8.462 -12.749 1.00 25.00 O ATOM 217 NE2 GLN A 14 -8.181 6.365 -12.149 1.00 25.00 N ATOM 0 H GLN A 14 -4.385 5.876 -14.370 1.00 25.00 H new ATOM 0 HA GLN A 14 -6.662 7.446 -15.002 1.00 25.00 H new ATOM 0 HB2 GLN A 14 -4.134 7.882 -13.317 1.00 25.00 H new ATOM 0 HB3 GLN A 14 -5.422 9.069 -13.375 1.00 25.00 H new ATOM 0 HG2 GLN A 14 -5.669 6.214 -12.387 1.00 25.00 H new ATOM 0 HG3 GLN A 14 -5.590 7.651 -11.386 1.00 25.00 H new ATOM 0 HE21 GLN A 14 -7.736 5.487 -11.883 1.00 25.00 H new ATOM 0 HE22 GLN A 14 -9.198 6.428 -12.195 1.00 25.00 H new ATOM 226 N THR A 15 -3.966 8.274 -16.583 1.00 25.00 N ATOM 227 CA THR A 15 -3.347 9.250 -17.497 1.00 25.00 C ATOM 228 C THR A 15 -3.216 8.837 -18.951 1.00 25.00 C ATOM 229 O THR A 15 -2.731 9.621 -19.786 1.00 25.00 O ATOM 230 CB THR A 15 -1.938 9.547 -16.987 1.00 25.00 C ATOM 231 OG1 THR A 15 -1.201 8.312 -16.945 1.00 25.00 O ATOM 232 CG2 THR A 15 -1.966 10.127 -15.555 1.00 25.00 C ATOM 0 H THR A 15 -3.488 7.374 -16.540 1.00 25.00 H new ATOM 0 HA THR A 15 -4.025 10.103 -17.492 1.00 25.00 H new ATOM 0 HB THR A 15 -1.478 10.275 -17.655 1.00 25.00 H new ATOM 0 HG1 THR A 15 -1.382 7.852 -16.099 1.00 25.00 H new ATOM 0 HG21 THR A 15 -0.947 10.327 -15.223 1.00 25.00 H new ATOM 0 HG22 THR A 15 -2.538 11.055 -15.549 1.00 25.00 H new ATOM 0 HG23 THR A 15 -2.433 9.409 -14.881 1.00 25.00 H new ATOM 240 N ALA A 16 -3.639 7.624 -19.258 1.00 25.00 N ATOM 241 CA ALA A 16 -3.458 7.084 -20.636 1.00 25.00 C ATOM 242 C ALA A 16 -3.986 7.980 -21.757 1.00 25.00 C ATOM 243 O ALA A 16 -3.247 8.425 -22.633 1.00 25.00 O ATOM 244 CB ALA A 16 -4.103 5.694 -20.716 1.00 25.00 C ATOM 0 H ALA A 16 -4.102 6.991 -18.606 1.00 25.00 H new ATOM 0 HA ALA A 16 -2.382 7.033 -20.804 1.00 25.00 H new ATOM 0 HB1 ALA A 16 -3.976 5.291 -21.721 1.00 25.00 H new ATOM 0 HB2 ALA A 16 -3.626 5.030 -19.995 1.00 25.00 H new ATOM 0 HB3 ALA A 16 -5.166 5.773 -20.489 1.00 25.00 H new ATOM 250 N VAL A 17 -5.299 8.208 -21.779 1.00 25.00 N ATOM 251 CA VAL A 17 -5.877 9.013 -22.841 1.00 25.00 C ATOM 252 C VAL A 17 -5.534 10.493 -22.629 1.00 25.00 C ATOM 253 O VAL A 17 -5.442 11.246 -23.571 1.00 25.00 O ATOM 254 CB VAL A 17 -7.391 8.798 -22.930 1.00 25.00 C ATOM 255 CG1 VAL A 17 -8.150 9.480 -21.787 1.00 25.00 C ATOM 256 CG2 VAL A 17 -7.923 9.298 -24.340 1.00 25.00 C ATOM 0 H VAL A 17 -5.963 7.855 -21.090 1.00 25.00 H new ATOM 0 HA VAL A 17 -5.447 8.696 -23.791 1.00 25.00 H new ATOM 0 HB VAL A 17 -7.579 7.729 -22.830 1.00 25.00 H new ATOM 0 HG11 VAL A 17 -9.218 9.296 -21.899 1.00 25.00 H new ATOM 0 HG12 VAL A 17 -7.810 9.077 -20.833 1.00 25.00 H new ATOM 0 HG13 VAL A 17 -7.962 10.553 -21.815 1.00 25.00 H new ATOM 0 HG21 VAL A 17 -9.000 9.143 -24.398 1.00 25.00 H new ATOM 0 HG22 VAL A 17 -7.702 10.359 -24.457 1.00 25.00 H new ATOM 0 HG23 VAL A 17 -7.432 8.736 -25.134 1.00 25.00 H new ATOM 266 N GLN A 18 -5.271 10.916 -21.414 1.00 25.00 N ATOM 267 CA GLN A 18 -4.997 12.340 -21.155 1.00 25.00 C ATOM 268 C GLN A 18 -3.659 12.731 -21.814 1.00 25.00 C ATOM 269 O GLN A 18 -3.556 13.750 -22.492 1.00 25.00 O ATOM 270 CB GLN A 18 -4.986 12.585 -19.627 1.00 25.00 C ATOM 271 CG GLN A 18 -4.749 13.993 -19.167 1.00 25.00 C ATOM 272 CD GLN A 18 -4.540 14.053 -17.635 1.00 25.00 C ATOM 273 OE1 GLN A 18 -3.511 14.467 -17.150 1.00 25.00 O ATOM 274 NE2 GLN A 18 -5.507 13.581 -16.884 1.00 25.00 N ATOM 0 H GLN A 18 -5.237 10.316 -20.590 1.00 25.00 H new ATOM 0 HA GLN A 18 -5.776 12.967 -21.589 1.00 25.00 H new ATOM 0 HB2 GLN A 18 -5.942 12.253 -19.223 1.00 25.00 H new ATOM 0 HB3 GLN A 18 -4.217 11.950 -19.187 1.00 25.00 H new ATOM 0 HG2 GLN A 18 -3.874 14.401 -19.672 1.00 25.00 H new ATOM 0 HG3 GLN A 18 -5.598 14.617 -19.446 1.00 25.00 H new ATOM 0 HE21 GLN A 18 -6.366 13.237 -17.314 1.00 25.00 H new ATOM 0 HE22 GLN A 18 -5.400 13.558 -15.870 1.00 25.00 H new ATOM 283 N PHE A 19 -2.697 11.848 -21.728 1.00 25.00 N ATOM 284 CA PHE A 19 -1.359 12.078 -22.285 1.00 25.00 C ATOM 285 C PHE A 19 -1.331 11.710 -23.757 1.00 25.00 C ATOM 286 O PHE A 19 -0.460 12.202 -24.496 1.00 25.00 O ATOM 287 CB PHE A 19 -0.284 11.212 -21.578 1.00 25.00 C ATOM 288 CG PHE A 19 -0.040 11.619 -20.124 1.00 25.00 C ATOM 289 CD1 PHE A 19 -0.602 12.785 -19.561 1.00 25.00 C ATOM 290 CD2 PHE A 19 0.767 10.812 -19.297 1.00 25.00 C ATOM 291 CE1 PHE A 19 -0.342 13.122 -18.229 1.00 25.00 C ATOM 292 CE2 PHE A 19 1.060 11.205 -17.943 1.00 25.00 C ATOM 293 CZ PHE A 19 0.454 12.352 -17.429 1.00 25.00 C ATOM 0 H PHE A 19 -2.805 10.942 -21.271 1.00 25.00 H new ATOM 0 HA PHE A 19 -1.138 13.135 -22.136 1.00 25.00 H new ATOM 0 HB2 PHE A 19 -0.592 10.167 -21.609 1.00 25.00 H new ATOM 0 HB3 PHE A 19 0.653 11.285 -22.131 1.00 25.00 H new ATOM 0 HD1 PHE A 19 -1.236 13.420 -20.162 1.00 25.00 H new ATOM 0 HD2 PHE A 19 1.170 9.888 -19.683 1.00 25.00 H new ATOM 0 HE1 PHE A 19 -0.784 14.019 -17.820 1.00 25.00 H new ATOM 0 HE2 PHE A 19 1.737 10.622 -17.336 1.00 25.00 H new ATOM 0 HZ PHE A 19 0.614 12.631 -16.398 1.00 25.00 H new ATOM 303 N GLN A 20 -2.253 10.918 -24.190 1.00 25.00 N ATOM 304 CA GLN A 20 -2.284 10.528 -25.597 1.00 25.00 C ATOM 305 C GLN A 20 -2.586 11.752 -26.443 1.00 25.00 C ATOM 306 O GLN A 20 -1.991 11.933 -27.492 1.00 25.00 O ATOM 307 CB GLN A 20 -3.356 9.420 -25.826 1.00 25.00 C ATOM 308 CG GLN A 20 -3.319 8.800 -27.296 1.00 25.00 C ATOM 309 CD GLN A 20 -4.358 7.729 -27.489 1.00 25.00 C ATOM 310 OE1 GLN A 20 -4.124 6.567 -27.237 1.00 25.00 O ATOM 311 NE2 GLN A 20 -5.519 8.117 -27.977 1.00 25.00 N ATOM 0 H GLN A 20 -2.996 10.521 -23.614 1.00 25.00 H new ATOM 0 HA GLN A 20 -1.315 10.122 -25.887 1.00 25.00 H new ATOM 0 HB2 GLN A 20 -3.205 8.622 -25.099 1.00 25.00 H new ATOM 0 HB3 GLN A 20 -4.346 9.838 -25.640 1.00 25.00 H new ATOM 0 HG2 GLN A 20 -3.478 9.593 -28.027 1.00 25.00 H new ATOM 0 HG3 GLN A 20 -2.330 8.383 -27.488 1.00 25.00 H new ATOM 0 HE21 GLN A 20 -5.684 9.103 -28.178 1.00 25.00 H new ATOM 0 HE22 GLN A 20 -6.253 7.431 -28.153 1.00 25.00 H new ATOM 320 N GLN A 21 -3.521 12.595 -25.985 1.00 25.00 N ATOM 321 CA GLN A 21 -3.900 13.764 -26.784 1.00 25.00 C ATOM 322 C GLN A 21 -2.681 14.668 -26.905 1.00 25.00 C ATOM 323 O GLN A 21 -2.434 15.227 -27.946 1.00 25.00 O ATOM 324 CB GLN A 21 -5.109 14.511 -26.192 1.00 25.00 C ATOM 325 CG GLN A 21 -6.359 13.643 -26.142 1.00 25.00 C ATOM 326 CD GLN A 21 -7.651 14.400 -25.829 1.00 25.00 C ATOM 327 OE1 GLN A 21 -8.141 15.169 -26.647 1.00 25.00 O ATOM 328 NE2 GLN A 21 -8.172 14.243 -24.653 1.00 25.00 N ATOM 0 H GLN A 21 -4.013 12.495 -25.097 1.00 25.00 H new ATOM 0 HA GLN A 21 -4.219 13.436 -27.773 1.00 25.00 H new ATOM 0 HB2 GLN A 21 -4.865 14.851 -25.185 1.00 25.00 H new ATOM 0 HB3 GLN A 21 -5.311 15.400 -26.789 1.00 25.00 H new ATOM 0 HG2 GLN A 21 -6.473 13.138 -27.101 1.00 25.00 H new ATOM 0 HG3 GLN A 21 -6.217 12.868 -25.389 1.00 25.00 H new ATOM 0 HE21 GLN A 21 -7.746 13.597 -23.989 1.00 25.00 H new ATOM 0 HE22 GLN A 21 -9.008 14.766 -24.392 1.00 25.00 H new ATOM 337 N TYR A 22 -1.888 14.772 -25.841 1.00 25.00 N ATOM 338 CA TYR A 22 -0.661 15.558 -25.884 1.00 25.00 C ATOM 339 C TYR A 22 0.395 14.938 -26.780 1.00 25.00 C ATOM 340 O TYR A 22 1.001 15.631 -27.601 1.00 25.00 O ATOM 341 CB TYR A 22 -0.064 15.675 -24.487 1.00 25.00 C ATOM 342 CG TYR A 22 1.297 16.315 -24.533 1.00 25.00 C ATOM 343 CD1 TYR A 22 1.469 17.734 -24.677 1.00 25.00 C ATOM 344 CD2 TYR A 22 2.464 15.528 -24.399 1.00 25.00 C ATOM 345 CE1 TYR A 22 2.763 18.303 -24.615 1.00 25.00 C ATOM 346 CE2 TYR A 22 3.756 16.092 -24.325 1.00 25.00 C ATOM 347 CZ TYR A 22 3.901 17.470 -24.440 1.00 25.00 C ATOM 348 OH TYR A 22 5.192 17.948 -24.331 1.00 25.00 O ATOM 0 H TYR A 22 -2.073 14.324 -24.944 1.00 25.00 H new ATOM 0 HA TYR A 22 -0.937 16.534 -26.283 1.00 25.00 H new ATOM 0 HB2 TYR A 22 -0.726 16.265 -23.853 1.00 25.00 H new ATOM 0 HB3 TYR A 22 0.011 14.686 -24.036 1.00 25.00 H new ATOM 0 HD1 TYR A 22 0.609 18.368 -24.833 1.00 25.00 H new ATOM 0 HD2 TYR A 22 2.363 14.454 -24.351 1.00 25.00 H new ATOM 0 HE1 TYR A 22 2.886 19.373 -24.701 1.00 25.00 H new ATOM 0 HE2 TYR A 22 4.621 15.461 -24.181 1.00 25.00 H new ATOM 0 HH TYR A 22 5.810 17.197 -24.216 1.00 25.00 H new ATOM 358 N ALA A 23 0.575 13.631 -26.703 1.00 25.00 N ATOM 359 CA ALA A 23 1.575 12.945 -27.522 1.00 25.00 C ATOM 360 C ALA A 23 1.188 13.077 -28.985 1.00 25.00 C ATOM 361 O ALA A 23 2.080 13.250 -29.841 1.00 25.00 O ATOM 362 CB ALA A 23 1.662 11.495 -27.123 1.00 25.00 C ATOM 0 H ALA A 23 0.045 13.018 -26.084 1.00 25.00 H new ATOM 0 HA ALA A 23 2.555 13.398 -27.368 1.00 25.00 H new ATOM 0 HB1 ALA A 23 2.409 10.993 -27.738 1.00 25.00 H new ATOM 0 HB2 ALA A 23 1.948 11.423 -26.074 1.00 25.00 H new ATOM 0 HB3 ALA A 23 0.692 11.019 -27.268 1.00 25.00 H new ATOM 368 N ALA A 24 -0.090 13.034 -29.308 1.00 25.00 N ATOM 369 CA ALA A 24 -0.471 13.240 -30.712 1.00 25.00 C ATOM 370 C ALA A 24 -0.201 14.655 -31.194 1.00 25.00 C ATOM 371 O ALA A 24 -0.074 14.863 -32.402 1.00 25.00 O ATOM 372 CB ALA A 24 -1.906 12.873 -30.943 1.00 25.00 C ATOM 0 H ALA A 24 -0.859 12.867 -28.659 1.00 25.00 H new ATOM 0 HA ALA A 24 0.161 12.576 -31.301 1.00 25.00 H new ATOM 0 HB1 ALA A 24 -2.159 13.036 -31.991 1.00 25.00 H new ATOM 0 HB2 ALA A 24 -2.058 11.823 -30.692 1.00 25.00 H new ATOM 0 HB3 ALA A 24 -2.546 13.493 -30.315 1.00 25.00 H new ATOM 378 N GLN A 25 -0.139 15.627 -30.277 1.00 25.00 N ATOM 379 CA GLN A 25 0.086 17.010 -30.681 1.00 25.00 C ATOM 380 C GLN A 25 1.614 17.217 -30.895 1.00 25.00 C ATOM 381 O GLN A 25 2.008 18.057 -31.690 1.00 25.00 O ATOM 382 CB GLN A 25 -0.490 17.991 -29.602 1.00 25.00 C ATOM 383 CG GLN A 25 -0.705 19.446 -29.986 1.00 25.00 C ATOM 384 CD GLN A 25 -1.563 20.151 -28.912 1.00 25.00 C ATOM 385 OE1 GLN A 25 -2.771 20.126 -28.959 1.00 25.00 O ATOM 386 NE2 GLN A 25 -0.926 20.767 -27.947 1.00 25.00 N ATOM 0 H GLN A 25 -0.240 15.482 -29.272 1.00 25.00 H new ATOM 0 HA GLN A 25 -0.433 17.224 -31.615 1.00 25.00 H new ATOM 0 HB2 GLN A 25 -1.447 17.591 -29.268 1.00 25.00 H new ATOM 0 HB3 GLN A 25 0.181 17.970 -28.743 1.00 25.00 H new ATOM 0 HG2 GLN A 25 0.256 19.951 -30.086 1.00 25.00 H new ATOM 0 HG3 GLN A 25 -1.199 19.506 -30.956 1.00 25.00 H new ATOM 0 HE21 GLN A 25 0.094 20.773 -27.931 1.00 25.00 H new ATOM 0 HE22 GLN A 25 -1.450 21.241 -27.211 1.00 25.00 H new ATOM 395 N GLN A 26 2.420 16.424 -30.192 1.00 25.00 N ATOM 396 CA GLN A 26 3.916 16.463 -30.286 1.00 25.00 C ATOM 397 C GLN A 26 4.486 15.612 -31.443 1.00 25.00 C ATOM 398 O GLN A 26 5.368 16.029 -32.157 1.00 25.00 O ATOM 399 CB GLN A 26 4.511 15.945 -28.960 1.00 25.00 C ATOM 400 CG GLN A 26 4.553 16.974 -27.837 1.00 25.00 C ATOM 401 CD GLN A 26 5.531 18.086 -28.121 1.00 25.00 C ATOM 402 OE1 GLN A 26 6.646 17.839 -28.469 1.00 25.00 O ATOM 403 NE2 GLN A 26 5.134 19.320 -27.943 1.00 25.00 N ATOM 0 H GLN A 26 2.073 15.727 -29.533 1.00 25.00 H new ATOM 0 HA GLN A 26 4.192 17.499 -30.483 1.00 25.00 H new ATOM 0 HB2 GLN A 26 3.928 15.087 -28.626 1.00 25.00 H new ATOM 0 HB3 GLN A 26 5.524 15.589 -29.147 1.00 25.00 H new ATOM 0 HG2 GLN A 26 3.558 17.395 -27.695 1.00 25.00 H new ATOM 0 HG3 GLN A 26 4.827 16.481 -26.904 1.00 25.00 H new ATOM 0 HE21 GLN A 26 4.177 19.510 -27.645 1.00 25.00 H new ATOM 0 HE22 GLN A 26 5.781 20.092 -28.102 1.00 25.00 H new ATOM 412 N TYR A 27 4.063 14.359 -31.542 1.00 25.00 N ATOM 413 CA TYR A 27 4.537 13.450 -32.605 1.00 25.00 C ATOM 414 C TYR A 27 3.317 13.021 -33.429 1.00 25.00 C ATOM 415 O TYR A 27 2.830 11.884 -33.302 1.00 25.00 O ATOM 416 CB TYR A 27 5.165 12.238 -31.986 1.00 25.00 C ATOM 417 CG TYR A 27 6.398 12.486 -31.193 1.00 25.00 C ATOM 418 CD1 TYR A 27 7.430 13.305 -31.702 1.00 25.00 C ATOM 419 CD2 TYR A 27 6.576 11.887 -29.937 1.00 25.00 C ATOM 420 CE1 TYR A 27 8.641 13.559 -30.973 1.00 25.00 C ATOM 421 CE2 TYR A 27 7.812 12.055 -29.231 1.00 25.00 C ATOM 422 CZ TYR A 27 8.788 12.914 -29.735 1.00 25.00 C ATOM 423 OH TYR A 27 9.940 13.028 -29.005 1.00 25.00 O ATOM 0 H TYR A 27 3.390 13.937 -30.902 1.00 25.00 H new ATOM 0 HA TYR A 27 5.274 13.950 -33.234 1.00 25.00 H new ATOM 0 HB2 TYR A 27 4.429 11.760 -31.340 1.00 25.00 H new ATOM 0 HB3 TYR A 27 5.401 11.529 -32.779 1.00 25.00 H new ATOM 0 HD1 TYR A 27 7.304 13.757 -32.675 1.00 25.00 H new ATOM 0 HD2 TYR A 27 5.781 11.299 -29.502 1.00 25.00 H new ATOM 0 HE1 TYR A 27 9.405 14.217 -31.360 1.00 25.00 H new ATOM 0 HE2 TYR A 27 7.987 11.518 -28.311 1.00 25.00 H new ATOM 0 HH TYR A 27 9.854 12.512 -28.176 1.00 25.00 H new ATOM 433 N PRO A 28 2.734 13.958 -34.194 1.00 25.00 N ATOM 434 CA PRO A 28 1.445 13.600 -34.825 1.00 25.00 C ATOM 435 C PRO A 28 1.654 12.538 -35.921 1.00 25.00 C ATOM 436 O PRO A 28 2.635 12.562 -36.628 1.00 25.00 O ATOM 437 CB PRO A 28 0.982 14.889 -35.451 1.00 25.00 C ATOM 438 CG PRO A 28 2.226 15.649 -35.700 1.00 25.00 C ATOM 439 CD PRO A 28 3.100 15.346 -34.535 1.00 25.00 C ATOM 0 HA PRO A 28 0.733 13.184 -34.112 1.00 25.00 H new ATOM 0 HB2 PRO A 28 0.436 14.707 -36.377 1.00 25.00 H new ATOM 0 HB3 PRO A 28 0.311 15.434 -34.787 1.00 25.00 H new ATOM 0 HG2 PRO A 28 2.695 15.344 -36.635 1.00 25.00 H new ATOM 0 HG3 PRO A 28 2.027 16.718 -35.777 1.00 25.00 H new ATOM 0 HD2 PRO A 28 4.156 15.433 -34.790 1.00 25.00 H new ATOM 0 HD3 PRO A 28 2.915 16.027 -33.704 1.00 25.00 H new ATOM 447 N GLY A 29 0.746 11.583 -36.001 1.00 25.00 N ATOM 448 CA GLY A 29 0.899 10.479 -36.913 1.00 25.00 C ATOM 449 C GLY A 29 1.789 9.353 -36.472 1.00 25.00 C ATOM 450 O GLY A 29 1.536 8.234 -36.911 1.00 25.00 O ATOM 0 H GLY A 29 -0.106 11.555 -35.441 1.00 25.00 H new ATOM 0 HA2 GLY A 29 -0.090 10.069 -37.119 1.00 25.00 H new ATOM 0 HA3 GLY A 29 1.285 10.868 -37.855 1.00 25.00 H new ATOM 454 N ASN A 30 2.771 9.568 -35.576 1.00 25.00 N ATOM 455 CA ASN A 30 3.754 8.543 -35.230 1.00 25.00 C ATOM 456 C ASN A 30 3.378 7.782 -33.963 1.00 25.00 C ATOM 457 O ASN A 30 3.874 8.077 -32.866 1.00 25.00 O ATOM 458 CB ASN A 30 5.145 9.170 -35.067 1.00 25.00 C ATOM 459 CG ASN A 30 5.785 9.482 -36.353 1.00 25.00 C ATOM 460 OD1 ASN A 30 5.173 10.016 -37.248 1.00 25.00 O ATOM 461 ND2 ASN A 30 7.060 9.215 -36.455 1.00 25.00 N ATOM 0 H ASN A 30 2.898 10.450 -35.080 1.00 25.00 H new ATOM 0 HA ASN A 30 3.769 7.827 -36.051 1.00 25.00 H new ATOM 0 HB2 ASN A 30 5.060 10.083 -34.478 1.00 25.00 H new ATOM 0 HB3 ASN A 30 5.783 8.487 -34.506 1.00 25.00 H new ATOM 0 HD21 ASN A 30 7.565 9.458 -37.307 1.00 25.00 H new ATOM 0 HD22 ASN A 30 7.550 8.764 -35.683 1.00 25.00 H new ATOM 468 N TYR A 31 2.538 6.775 -34.117 1.00 25.00 N ATOM 469 CA TYR A 31 2.000 6.013 -32.990 1.00 25.00 C ATOM 470 C TYR A 31 3.148 5.473 -32.101 1.00 25.00 C ATOM 471 O TYR A 31 3.094 5.662 -30.890 1.00 25.00 O ATOM 472 CB TYR A 31 1.178 4.826 -33.487 1.00 25.00 C ATOM 473 CG TYR A 31 0.997 3.747 -32.397 1.00 25.00 C ATOM 474 CD1 TYR A 31 0.007 3.868 -31.399 1.00 25.00 C ATOM 475 CD2 TYR A 31 1.815 2.622 -32.397 1.00 25.00 C ATOM 476 CE1 TYR A 31 -0.157 2.897 -30.427 1.00 25.00 C ATOM 477 CE2 TYR A 31 1.664 1.623 -31.407 1.00 25.00 C ATOM 478 CZ TYR A 31 0.660 1.756 -30.425 1.00 25.00 C ATOM 479 OH TYR A 31 0.493 0.795 -29.436 1.00 25.00 O ATOM 0 H TYR A 31 2.205 6.457 -35.027 1.00 25.00 H new ATOM 0 HA TYR A 31 1.367 6.685 -32.411 1.00 25.00 H new ATOM 0 HB2 TYR A 31 0.200 5.176 -33.816 1.00 25.00 H new ATOM 0 HB3 TYR A 31 1.667 4.385 -34.355 1.00 25.00 H new ATOM 0 HD1 TYR A 31 -0.636 4.736 -31.394 1.00 25.00 H new ATOM 0 HD2 TYR A 31 2.572 2.510 -33.159 1.00 25.00 H new ATOM 0 HE1 TYR A 31 -0.916 3.018 -29.668 1.00 25.00 H new ATOM 0 HE2 TYR A 31 2.315 0.761 -31.403 1.00 25.00 H new ATOM 0 HH TYR A 31 1.134 0.067 -29.575 1.00 25.00 H new ATOM 489 N GLU A 32 4.166 4.831 -32.649 1.00 25.00 N ATOM 490 CA GLU A 32 5.268 4.278 -31.841 1.00 25.00 C ATOM 491 C GLU A 32 5.936 5.379 -30.975 1.00 25.00 C ATOM 492 O GLU A 32 6.074 5.216 -29.757 1.00 25.00 O ATOM 493 CB GLU A 32 6.327 3.584 -32.748 1.00 25.00 C ATOM 494 CG GLU A 32 7.038 4.545 -33.702 1.00 25.00 C ATOM 495 CD GLU A 32 7.987 3.865 -34.698 1.00 25.00 C ATOM 496 OE1 GLU A 32 7.948 2.631 -34.877 1.00 25.00 O ATOM 497 OE2 GLU A 32 8.759 4.632 -35.326 1.00 25.00 O ATOM 0 H GLU A 32 4.263 4.674 -33.652 1.00 25.00 H new ATOM 0 HA GLU A 32 4.843 3.530 -31.171 1.00 25.00 H new ATOM 0 HB2 GLU A 32 7.070 3.095 -32.117 1.00 25.00 H new ATOM 0 HB3 GLU A 32 5.839 2.802 -33.330 1.00 25.00 H new ATOM 0 HG2 GLU A 32 6.287 5.106 -34.259 1.00 25.00 H new ATOM 0 HG3 GLU A 32 7.605 5.267 -33.115 1.00 25.00 H new ATOM 504 N GLN A 33 6.223 6.555 -31.567 1.00 25.00 N ATOM 505 CA GLN A 33 6.802 7.663 -30.803 1.00 25.00 C ATOM 506 C GLN A 33 5.861 8.280 -29.764 1.00 25.00 C ATOM 507 O GLN A 33 6.315 8.635 -28.666 1.00 25.00 O ATOM 508 CB GLN A 33 7.286 8.759 -31.746 1.00 25.00 C ATOM 509 CG GLN A 33 8.402 8.297 -32.740 1.00 25.00 C ATOM 510 CD GLN A 33 9.629 7.713 -32.038 1.00 25.00 C ATOM 511 OE1 GLN A 33 10.147 8.270 -31.059 1.00 25.00 O ATOM 512 NE2 GLN A 33 10.105 6.580 -32.567 1.00 25.00 N ATOM 0 H GLN A 33 6.065 6.755 -32.555 1.00 25.00 H new ATOM 0 HA GLN A 33 7.632 7.225 -30.249 1.00 25.00 H new ATOM 0 HB2 GLN A 33 6.437 9.133 -32.318 1.00 25.00 H new ATOM 0 HB3 GLN A 33 7.664 9.593 -31.154 1.00 25.00 H new ATOM 0 HG2 GLN A 33 7.989 7.550 -33.418 1.00 25.00 H new ATOM 0 HG3 GLN A 33 8.710 9.146 -33.350 1.00 25.00 H new ATOM 0 HE21 GLN A 33 9.643 6.160 -33.374 1.00 25.00 H new ATOM 0 HE22 GLN A 33 10.930 6.136 -32.164 1.00 25.00 H new ATOM 521 N GLN A 34 4.586 8.357 -30.112 1.00 25.00 N ATOM 522 CA GLN A 34 3.588 8.842 -29.156 1.00 25.00 C ATOM 523 C GLN A 34 3.615 7.993 -27.900 1.00 25.00 C ATOM 524 O GLN A 34 3.440 8.495 -26.758 1.00 25.00 O ATOM 525 CB GLN A 34 2.198 8.795 -29.786 1.00 25.00 C ATOM 526 CG GLN A 34 1.927 9.937 -30.791 1.00 25.00 C ATOM 527 CD GLN A 34 0.658 9.726 -31.576 1.00 25.00 C ATOM 528 OE1 GLN A 34 -0.242 8.981 -31.159 1.00 25.00 O ATOM 529 NE2 GLN A 34 0.569 10.370 -32.712 1.00 25.00 N ATOM 0 H GLN A 34 4.218 8.098 -31.027 1.00 25.00 H new ATOM 0 HA GLN A 34 3.824 9.873 -28.891 1.00 25.00 H new ATOM 0 HB2 GLN A 34 2.073 7.839 -30.295 1.00 25.00 H new ATOM 0 HB3 GLN A 34 1.450 8.835 -28.995 1.00 25.00 H new ATOM 0 HG2 GLN A 34 1.865 10.883 -30.253 1.00 25.00 H new ATOM 0 HG3 GLN A 34 2.768 10.017 -31.480 1.00 25.00 H new ATOM 0 HE21 GLN A 34 1.333 10.973 -33.018 1.00 25.00 H new ATOM 0 HE22 GLN A 34 -0.264 10.269 -33.292 1.00 25.00 H new ATOM 538 N GLN A 35 3.805 6.692 -28.078 1.00 25.00 N ATOM 539 CA GLN A 35 3.755 5.792 -26.946 1.00 25.00 C ATOM 540 C GLN A 35 4.974 6.019 -26.045 1.00 25.00 C ATOM 541 O GLN A 35 4.847 6.008 -24.824 1.00 25.00 O ATOM 542 CB GLN A 35 3.732 4.337 -27.417 1.00 25.00 C ATOM 543 CG GLN A 35 2.382 3.955 -27.951 1.00 25.00 C ATOM 544 CD GLN A 35 1.300 4.099 -26.919 1.00 25.00 C ATOM 545 OE1 GLN A 35 1.443 3.651 -25.822 1.00 25.00 O ATOM 546 NE2 GLN A 35 0.217 4.703 -27.282 1.00 25.00 N ATOM 0 H GLN A 35 3.991 6.249 -28.978 1.00 25.00 H new ATOM 0 HA GLN A 35 2.843 5.995 -26.384 1.00 25.00 H new ATOM 0 HB2 GLN A 35 4.485 4.192 -28.191 1.00 25.00 H new ATOM 0 HB3 GLN A 35 3.996 3.680 -26.588 1.00 25.00 H new ATOM 0 HG2 GLN A 35 2.145 4.579 -28.813 1.00 25.00 H new ATOM 0 HG3 GLN A 35 2.411 2.924 -28.302 1.00 25.00 H new ATOM 0 HE21 GLN A 35 0.132 5.073 -28.229 1.00 25.00 H new ATOM 0 HE22 GLN A 35 -0.553 4.810 -26.622 1.00 25.00 H new ATOM 555 N ILE A 36 6.160 6.215 -26.636 1.00 25.00 N ATOM 556 CA ILE A 36 7.396 6.394 -25.875 1.00 25.00 C ATOM 557 C ILE A 36 7.282 7.672 -24.959 1.00 25.00 C ATOM 558 O ILE A 36 7.571 7.647 -23.772 1.00 25.00 O ATOM 559 CB ILE A 36 8.627 6.598 -26.867 1.00 25.00 C ATOM 560 CG1 ILE A 36 8.794 5.276 -27.679 1.00 25.00 C ATOM 561 CG2 ILE A 36 9.949 6.971 -26.109 1.00 25.00 C ATOM 562 CD1 ILE A 36 9.632 5.409 -28.978 1.00 25.00 C ATOM 0 H ILE A 36 6.286 6.253 -27.647 1.00 25.00 H new ATOM 0 HA ILE A 36 7.554 5.506 -25.264 1.00 25.00 H new ATOM 0 HB ILE A 36 8.425 7.437 -27.533 1.00 25.00 H new ATOM 0 HG12 ILE A 36 9.261 4.529 -27.037 1.00 25.00 H new ATOM 0 HG13 ILE A 36 7.805 4.899 -27.939 1.00 25.00 H new ATOM 0 HG21 ILE A 36 10.757 7.099 -26.829 1.00 25.00 H new ATOM 0 HG22 ILE A 36 9.803 7.900 -25.558 1.00 25.00 H new ATOM 0 HG23 ILE A 36 10.207 6.173 -25.412 1.00 25.00 H new ATOM 0 HD11 ILE A 36 9.692 4.440 -29.473 1.00 25.00 H new ATOM 0 HD12 ILE A 36 9.157 6.128 -29.645 1.00 25.00 H new ATOM 0 HD13 ILE A 36 10.636 5.753 -28.730 1.00 25.00 H new ATOM 574 N LEU A 37 6.732 8.736 -25.522 1.00 25.00 N ATOM 575 CA LEU A 37 6.535 9.970 -24.830 1.00 25.00 C ATOM 576 C LEU A 37 5.594 9.840 -23.626 1.00 25.00 C ATOM 577 O LEU A 37 5.881 10.293 -22.517 1.00 25.00 O ATOM 578 CB LEU A 37 6.006 11.027 -25.805 1.00 25.00 C ATOM 579 CG LEU A 37 5.788 12.459 -25.305 1.00 25.00 C ATOM 580 CD1 LEU A 37 7.098 13.013 -24.717 1.00 25.00 C ATOM 581 CD2 LEU A 37 5.352 13.325 -26.430 1.00 25.00 C ATOM 0 H LEU A 37 6.409 8.752 -26.489 1.00 25.00 H new ATOM 0 HA LEU A 37 7.504 10.275 -24.434 1.00 25.00 H new ATOM 0 HB2 LEU A 37 6.698 11.074 -26.646 1.00 25.00 H new ATOM 0 HB3 LEU A 37 5.054 10.667 -26.196 1.00 25.00 H new ATOM 0 HG LEU A 37 5.018 12.450 -24.533 1.00 25.00 H new ATOM 0 HD11 LEU A 37 6.936 14.031 -24.363 1.00 25.00 H new ATOM 0 HD12 LEU A 37 7.417 12.386 -23.884 1.00 25.00 H new ATOM 0 HD13 LEU A 37 7.870 13.015 -25.486 1.00 25.00 H new ATOM 0 HD21 LEU A 37 5.199 14.342 -26.068 1.00 25.00 H new ATOM 0 HD22 LEU A 37 6.118 13.327 -27.205 1.00 25.00 H new ATOM 0 HD23 LEU A 37 4.419 12.942 -26.843 1.00 25.00 H new ATOM 593 N ILE A 38 4.457 9.219 -23.883 1.00 25.00 N ATOM 594 CA ILE A 38 3.464 8.958 -22.865 1.00 25.00 C ATOM 595 C ILE A 38 4.121 8.193 -21.715 1.00 25.00 C ATOM 596 O ILE A 38 3.911 8.522 -20.547 1.00 25.00 O ATOM 597 CB ILE A 38 2.244 8.144 -23.379 1.00 25.00 C ATOM 598 CG1 ILE A 38 1.425 9.031 -24.340 1.00 25.00 C ATOM 599 CG2 ILE A 38 1.310 7.671 -22.262 1.00 25.00 C ATOM 600 CD1 ILE A 38 0.618 8.262 -25.363 1.00 25.00 C ATOM 0 H ILE A 38 4.198 8.881 -24.810 1.00 25.00 H new ATOM 0 HA ILE A 38 3.084 9.926 -22.540 1.00 25.00 H new ATOM 0 HB ILE A 38 2.644 7.257 -23.871 1.00 25.00 H new ATOM 0 HG12 ILE A 38 0.748 9.653 -23.754 1.00 25.00 H new ATOM 0 HG13 ILE A 38 2.105 9.704 -24.862 1.00 25.00 H new ATOM 0 HG21 ILE A 38 0.481 7.110 -22.694 1.00 25.00 H new ATOM 0 HG22 ILE A 38 1.862 7.031 -21.573 1.00 25.00 H new ATOM 0 HG23 ILE A 38 0.921 8.535 -21.723 1.00 25.00 H new ATOM 0 HD11 ILE A 38 0.073 8.961 -25.997 1.00 25.00 H new ATOM 0 HD12 ILE A 38 1.288 7.661 -25.978 1.00 25.00 H new ATOM 0 HD13 ILE A 38 -0.089 7.609 -24.852 1.00 25.00 H new ATOM 612 N ARG A 39 4.961 7.210 -22.020 1.00 25.00 N ATOM 613 CA ARG A 39 5.605 6.421 -20.955 1.00 25.00 C ATOM 614 C ARG A 39 6.530 7.320 -20.120 1.00 25.00 C ATOM 615 O ARG A 39 6.527 7.218 -18.892 1.00 25.00 O ATOM 616 CB ARG A 39 6.407 5.273 -21.563 1.00 25.00 C ATOM 617 CG ARG A 39 5.487 4.167 -22.147 1.00 25.00 C ATOM 618 CD ARG A 39 6.260 3.174 -22.951 1.00 25.00 C ATOM 619 NE ARG A 39 7.083 2.290 -22.136 1.00 25.00 N ATOM 620 CZ ARG A 39 7.868 1.329 -22.593 1.00 25.00 C ATOM 621 NH1 ARG A 39 7.956 1.052 -23.869 1.00 25.00 N ATOM 622 NH2 ARG A 39 8.606 0.633 -21.761 1.00 25.00 N ATOM 0 H ARG A 39 5.213 6.938 -22.970 1.00 25.00 H new ATOM 0 HA ARG A 39 4.831 6.008 -20.308 1.00 25.00 H new ATOM 0 HB2 ARG A 39 7.054 5.660 -22.350 1.00 25.00 H new ATOM 0 HB3 ARG A 39 7.056 4.840 -20.801 1.00 25.00 H new ATOM 0 HG2 ARG A 39 4.972 3.655 -21.334 1.00 25.00 H new ATOM 0 HG3 ARG A 39 4.720 4.624 -22.773 1.00 25.00 H new ATOM 0 HD2 ARG A 39 5.566 2.574 -23.539 1.00 25.00 H new ATOM 0 HD3 ARG A 39 6.898 3.706 -23.657 1.00 25.00 H new ATOM 0 HE ARG A 39 7.051 2.424 -21.125 1.00 25.00 H new ATOM 0 HH11 ARG A 39 7.409 1.584 -24.545 1.00 25.00 H new ATOM 0 HH12 ARG A 39 8.572 0.304 -24.187 1.00 25.00 H new ATOM 0 HH21 ARG A 39 8.574 0.833 -20.761 1.00 25.00 H new ATOM 0 HH22 ARG A 39 9.211 -0.108 -22.114 1.00 25.00 H new ATOM 636 N GLN A 40 7.202 8.230 -20.755 1.00 25.00 N ATOM 637 CA GLN A 40 8.051 9.198 -20.034 1.00 25.00 C ATOM 638 C GLN A 40 7.230 10.084 -19.101 1.00 25.00 C ATOM 639 O GLN A 40 7.542 10.205 -17.901 1.00 25.00 O ATOM 640 CB GLN A 40 8.823 10.067 -21.017 1.00 25.00 C ATOM 641 CG GLN A 40 9.876 10.924 -20.306 1.00 25.00 C ATOM 642 CD GLN A 40 10.515 11.940 -21.197 1.00 25.00 C ATOM 643 OE1 GLN A 40 10.248 12.016 -22.387 1.00 25.00 O ATOM 644 NE2 GLN A 40 11.304 12.796 -20.600 1.00 25.00 N ATOM 0 H GLN A 40 7.196 8.343 -21.769 1.00 25.00 H new ATOM 0 HA GLN A 40 8.753 8.624 -19.428 1.00 25.00 H new ATOM 0 HB2 GLN A 40 9.309 9.434 -21.759 1.00 25.00 H new ATOM 0 HB3 GLN A 40 8.129 10.714 -21.555 1.00 25.00 H new ATOM 0 HG2 GLN A 40 9.410 11.433 -19.462 1.00 25.00 H new ATOM 0 HG3 GLN A 40 10.649 10.272 -19.898 1.00 25.00 H new ATOM 0 HE21 GLN A 40 11.502 12.698 -19.604 1.00 25.00 H new ATOM 0 HE22 GLN A 40 11.721 13.561 -21.130 1.00 25.00 H new ATOM 653 N LEU A 41 6.121 10.638 -19.608 1.00 25.00 N ATOM 654 CA LEU A 41 5.255 11.491 -18.795 1.00 25.00 C ATOM 655 C LEU A 41 4.612 10.782 -17.577 1.00 25.00 C ATOM 656 O LEU A 41 4.337 11.371 -16.533 1.00 25.00 O ATOM 657 CB LEU A 41 4.139 12.073 -19.647 1.00 25.00 C ATOM 658 CG LEU A 41 4.502 12.882 -20.895 1.00 25.00 C ATOM 659 CD1 LEU A 41 3.168 13.513 -21.386 1.00 25.00 C ATOM 660 CD2 LEU A 41 5.548 13.986 -20.649 1.00 25.00 C ATOM 0 H LEU A 41 5.807 10.510 -20.570 1.00 25.00 H new ATOM 0 HA LEU A 41 5.913 12.268 -18.405 1.00 25.00 H new ATOM 0 HB2 LEU A 41 3.502 11.247 -19.964 1.00 25.00 H new ATOM 0 HB3 LEU A 41 3.534 12.713 -19.005 1.00 25.00 H new ATOM 0 HG LEU A 41 4.965 12.221 -21.628 1.00 25.00 H new ATOM 0 HD11 LEU A 41 3.354 14.108 -22.280 1.00 25.00 H new ATOM 0 HD12 LEU A 41 2.455 12.722 -21.619 1.00 25.00 H new ATOM 0 HD13 LEU A 41 2.758 14.152 -20.604 1.00 25.00 H new ATOM 0 HD21 LEU A 41 5.749 14.511 -21.583 1.00 25.00 H new ATOM 0 HD22 LEU A 41 5.166 14.691 -19.911 1.00 25.00 H new ATOM 0 HD23 LEU A 41 6.470 13.538 -20.279 1.00 25.00 H new ATOM 672 N GLN A 42 4.438 9.477 -17.711 1.00 25.00 N ATOM 673 CA GLN A 42 3.895 8.690 -16.629 1.00 25.00 C ATOM 674 C GLN A 42 4.943 8.502 -15.478 1.00 25.00 C ATOM 675 O GLN A 42 4.602 8.561 -14.273 1.00 25.00 O ATOM 676 CB GLN A 42 3.389 7.372 -17.179 1.00 25.00 C ATOM 677 CG GLN A 42 2.061 7.569 -17.942 1.00 25.00 C ATOM 678 CD GLN A 42 1.623 6.348 -18.694 1.00 25.00 C ATOM 679 OE1 GLN A 42 2.432 5.526 -19.093 1.00 25.00 O ATOM 680 NE2 GLN A 42 0.335 6.280 -18.999 1.00 25.00 N ATOM 0 H GLN A 42 4.665 8.949 -18.554 1.00 25.00 H new ATOM 0 HA GLN A 42 3.053 9.217 -16.181 1.00 25.00 H new ATOM 0 HB2 GLN A 42 4.136 6.940 -17.845 1.00 25.00 H new ATOM 0 HB3 GLN A 42 3.243 6.664 -16.363 1.00 25.00 H new ATOM 0 HG2 GLN A 42 1.281 7.850 -17.234 1.00 25.00 H new ATOM 0 HG3 GLN A 42 2.171 8.398 -18.641 1.00 25.00 H new ATOM 0 HE21 GLN A 42 -0.311 6.986 -18.646 1.00 25.00 H new ATOM 0 HE22 GLN A 42 -0.011 5.521 -19.587 1.00 25.00 H new ATOM 689 N GLU A 43 6.210 8.346 -15.857 1.00 25.00 N ATOM 690 CA GLU A 43 7.327 8.313 -14.869 1.00 25.00 C ATOM 691 C GLU A 43 7.453 9.654 -14.103 1.00 25.00 C ATOM 692 O GLU A 43 7.645 9.660 -12.874 1.00 25.00 O ATOM 693 CB GLU A 43 8.646 7.932 -15.545 1.00 25.00 C ATOM 694 CG GLU A 43 8.725 6.476 -15.962 1.00 25.00 C ATOM 695 CD GLU A 43 10.092 6.124 -16.567 1.00 25.00 C ATOM 696 OE1 GLU A 43 10.370 6.553 -17.739 1.00 25.00 O ATOM 697 OE2 GLU A 43 10.865 5.381 -15.913 1.00 25.00 O ATOM 0 H GLU A 43 6.504 8.240 -16.828 1.00 25.00 H new ATOM 0 HA GLU A 43 7.093 7.543 -14.134 1.00 25.00 H new ATOM 0 HB2 GLU A 43 8.787 8.560 -16.425 1.00 25.00 H new ATOM 0 HB3 GLU A 43 9.468 8.150 -14.863 1.00 25.00 H new ATOM 0 HG2 GLU A 43 8.537 5.840 -15.097 1.00 25.00 H new ATOM 0 HG3 GLU A 43 7.941 6.264 -16.689 1.00 25.00 H new ATOM 704 N GLN A 44 7.233 10.757 -14.810 1.00 25.00 N ATOM 705 CA GLN A 44 7.185 12.105 -14.226 1.00 25.00 C ATOM 706 C GLN A 44 5.994 12.241 -13.273 1.00 25.00 C ATOM 707 O GLN A 44 6.115 12.708 -12.133 1.00 25.00 O ATOM 708 CB GLN A 44 7.067 13.168 -15.350 1.00 25.00 C ATOM 709 CG GLN A 44 8.300 13.260 -16.282 1.00 25.00 C ATOM 710 CD GLN A 44 9.551 13.778 -15.556 1.00 25.00 C ATOM 711 OE1 GLN A 44 10.163 13.094 -14.743 1.00 25.00 O ATOM 712 NE2 GLN A 44 9.988 14.986 -15.919 1.00 25.00 N ATOM 0 H GLN A 44 7.080 10.747 -15.818 1.00 25.00 H new ATOM 0 HA GLN A 44 8.106 12.266 -13.666 1.00 25.00 H new ATOM 0 HB2 GLN A 44 6.188 12.943 -15.954 1.00 25.00 H new ATOM 0 HB3 GLN A 44 6.899 14.143 -14.893 1.00 25.00 H new ATOM 0 HG2 GLN A 44 8.509 12.276 -16.701 1.00 25.00 H new ATOM 0 HG3 GLN A 44 8.070 13.920 -17.119 1.00 25.00 H new ATOM 0 HE21 GLN A 44 9.461 15.536 -16.597 1.00 25.00 H new ATOM 0 HE22 GLN A 44 10.849 15.359 -15.518 1.00 25.00 H new ATOM 721 N HIS A 45 4.837 11.752 -13.706 1.00 25.00 N ATOM 722 CA HIS A 45 3.668 11.739 -12.875 1.00 25.00 C ATOM 723 C HIS A 45 3.855 10.934 -11.576 1.00 25.00 C ATOM 724 O HIS A 45 3.294 11.261 -10.539 1.00 25.00 O ATOM 725 CB HIS A 45 2.481 11.196 -13.685 1.00 25.00 C ATOM 726 CG HIS A 45 1.170 11.339 -12.978 1.00 25.00 C ATOM 727 ND1 HIS A 45 0.325 10.391 -12.480 1.00 25.00 N flip ATOM 728 CD2 HIS A 45 0.562 12.538 -12.690 1.00 25.00 C flip ATOM 729 CE1 HIS A 45 -0.776 10.977 -11.941 1.00 25.00 C flip ATOM 730 NE2 HIS A 45 -0.582 12.275 -12.068 1.00 25.00 N flip ATOM 0 H HIS A 45 4.697 11.360 -14.637 1.00 25.00 H new ATOM 0 HA HIS A 45 3.474 12.765 -12.564 1.00 25.00 H new ATOM 0 HB2 HIS A 45 2.431 11.720 -14.639 1.00 25.00 H new ATOM 0 HB3 HIS A 45 2.653 10.143 -13.908 1.00 25.00 H new ATOM 0 HD2 HIS A 45 0.946 13.519 -12.927 1.00 25.00 H new ATOM 0 HE1 HIS A 45 -1.630 10.484 -11.501 1.00 25.00 H new ATOM 0 HE2 HIS A 45 -1.229 12.988 -11.731 1.00 25.00 H new ATOM 738 N TYR A 46 4.707 9.907 -11.579 1.00 25.00 N ATOM 739 CA TYR A 46 4.941 9.097 -10.342 1.00 25.00 C ATOM 740 C TYR A 46 5.548 9.973 -9.269 1.00 25.00 C ATOM 741 O TYR A 46 5.224 9.884 -8.111 1.00 25.00 O ATOM 742 CB TYR A 46 5.889 7.943 -10.677 1.00 25.00 C ATOM 743 CG TYR A 46 6.041 6.984 -9.518 1.00 25.00 C ATOM 744 CD1 TYR A 46 5.122 5.933 -9.315 1.00 25.00 C ATOM 745 CD2 TYR A 46 7.122 7.122 -8.594 1.00 25.00 C ATOM 746 CE1 TYR A 46 5.247 5.036 -8.246 1.00 25.00 C ATOM 747 CE2 TYR A 46 7.271 6.205 -7.513 1.00 25.00 C ATOM 748 CZ TYR A 46 6.346 5.192 -7.342 1.00 25.00 C ATOM 749 OH TYR A 46 6.478 4.344 -6.271 1.00 25.00 O ATOM 0 H TYR A 46 5.243 9.607 -12.393 1.00 25.00 H new ATOM 0 HA TYR A 46 3.996 8.697 -9.975 1.00 25.00 H new ATOM 0 HB2 TYR A 46 5.512 7.405 -11.547 1.00 25.00 H new ATOM 0 HB3 TYR A 46 6.866 8.343 -10.948 1.00 25.00 H new ATOM 0 HD1 TYR A 46 4.298 5.816 -10.004 1.00 25.00 H new ATOM 0 HD2 TYR A 46 7.832 7.927 -8.716 1.00 25.00 H new ATOM 0 HE1 TYR A 46 4.528 4.242 -8.107 1.00 25.00 H new ATOM 0 HE2 TYR A 46 8.103 6.301 -6.831 1.00 25.00 H new ATOM 0 HH TYR A 46 7.277 4.586 -5.758 1.00 25.00 H new ATOM 759 N GLN A 47 6.381 10.897 -9.711 1.00 25.00 N ATOM 760 CA GLN A 47 7.001 11.886 -8.846 1.00 25.00 C ATOM 761 C GLN A 47 5.943 12.812 -8.254 1.00 25.00 C ATOM 762 O GLN A 47 6.024 13.093 -7.072 1.00 25.00 O ATOM 763 CB GLN A 47 8.076 12.738 -9.629 1.00 25.00 C ATOM 764 CG GLN A 47 9.132 11.891 -10.347 1.00 25.00 C ATOM 765 CD GLN A 47 10.219 12.714 -11.091 1.00 25.00 C ATOM 766 OE1 GLN A 47 10.264 13.932 -11.019 1.00 25.00 O ATOM 767 NE2 GLN A 47 11.119 12.063 -11.728 1.00 25.00 N ATOM 0 H GLN A 47 6.650 10.984 -10.691 1.00 25.00 H new ATOM 0 HA GLN A 47 7.505 11.352 -8.040 1.00 25.00 H new ATOM 0 HB2 GLN A 47 7.567 13.364 -10.361 1.00 25.00 H new ATOM 0 HB3 GLN A 47 8.575 13.408 -8.929 1.00 25.00 H new ATOM 0 HG2 GLN A 47 9.619 11.245 -9.617 1.00 25.00 H new ATOM 0 HG3 GLN A 47 8.632 11.241 -11.065 1.00 25.00 H new ATOM 0 HE21 GLN A 47 11.071 11.046 -11.781 1.00 25.00 H new ATOM 0 HE22 GLN A 47 11.884 12.562 -12.182 1.00 25.00 H new ATOM 776 N GLN A 48 4.930 13.234 -9.001 1.00 25.00 N ATOM 777 CA GLN A 48 3.953 14.110 -8.390 1.00 25.00 C ATOM 778 C GLN A 48 3.126 13.326 -7.384 1.00 25.00 C ATOM 779 O GLN A 48 2.764 13.829 -6.322 1.00 25.00 O ATOM 780 CB GLN A 48 3.026 14.808 -9.423 1.00 25.00 C ATOM 781 CG GLN A 48 3.653 16.062 -10.040 1.00 25.00 C ATOM 782 CD GLN A 48 4.655 15.762 -11.144 1.00 25.00 C ATOM 783 OE1 GLN A 48 4.270 15.304 -12.192 1.00 25.00 O ATOM 784 NE2 GLN A 48 5.916 15.948 -10.890 1.00 25.00 N ATOM 0 H GLN A 48 4.771 12.997 -9.980 1.00 25.00 H new ATOM 0 HA GLN A 48 4.504 14.905 -7.887 1.00 25.00 H new ATOM 0 HB2 GLN A 48 2.781 14.103 -10.217 1.00 25.00 H new ATOM 0 HB3 GLN A 48 2.089 15.079 -8.937 1.00 25.00 H new ATOM 0 HG2 GLN A 48 2.861 16.694 -10.442 1.00 25.00 H new ATOM 0 HG3 GLN A 48 4.150 16.633 -9.256 1.00 25.00 H new ATOM 0 HE21 GLN A 48 6.203 16.338 -9.992 1.00 25.00 H new ATOM 0 HE22 GLN A 48 6.618 15.704 -11.588 1.00 25.00 H new ATOM 793 N TYR A 49 2.869 12.063 -7.693 1.00 25.00 N ATOM 794 CA TYR A 49 2.177 11.173 -6.773 1.00 25.00 C ATOM 795 C TYR A 49 2.911 10.986 -5.435 1.00 25.00 C ATOM 796 O TYR A 49 2.314 11.057 -4.384 1.00 25.00 O ATOM 797 CB TYR A 49 1.921 9.855 -7.433 1.00 25.00 C ATOM 798 CG TYR A 49 0.860 9.049 -6.703 1.00 25.00 C ATOM 799 CD1 TYR A 49 -0.458 9.554 -6.586 1.00 25.00 C ATOM 800 CD2 TYR A 49 1.172 7.806 -6.109 1.00 25.00 C ATOM 801 CE1 TYR A 49 -1.441 8.826 -5.879 1.00 25.00 C ATOM 802 CE2 TYR A 49 0.184 7.066 -5.414 1.00 25.00 C ATOM 803 CZ TYR A 49 -1.108 7.592 -5.308 1.00 25.00 C ATOM 804 OH TYR A 49 -2.024 6.847 -4.631 1.00 25.00 O ATOM 0 H TYR A 49 3.131 11.630 -8.579 1.00 25.00 H new ATOM 0 HA TYR A 49 1.227 11.648 -6.526 1.00 25.00 H new ATOM 0 HB2 TYR A 49 1.605 10.021 -8.463 1.00 25.00 H new ATOM 0 HB3 TYR A 49 2.848 9.283 -7.472 1.00 25.00 H new ATOM 0 HD1 TYR A 49 -0.713 10.500 -7.040 1.00 25.00 H new ATOM 0 HD2 TYR A 49 2.176 7.415 -6.186 1.00 25.00 H new ATOM 0 HE1 TYR A 49 -2.442 9.219 -5.780 1.00 25.00 H new ATOM 0 HE2 TYR A 49 0.425 6.110 -4.973 1.00 25.00 H new ATOM 0 HH TYR A 49 -1.602 6.023 -4.310 1.00 25.00 H new ATOM 814 N MET A 50 4.230 10.869 -5.458 1.00 25.00 N ATOM 815 CA MET A 50 4.996 10.803 -4.217 1.00 25.00 C ATOM 816 C MET A 50 4.937 12.102 -3.454 1.00 25.00 C ATOM 817 O MET A 50 4.809 12.081 -2.241 1.00 25.00 O ATOM 818 CB MET A 50 6.444 10.490 -4.466 1.00 25.00 C ATOM 819 CG MET A 50 6.713 9.170 -5.096 1.00 25.00 C ATOM 820 SD MET A 50 6.138 7.760 -4.075 1.00 25.00 S ATOM 821 CE MET A 50 4.797 7.189 -5.047 1.00 25.00 C ATOM 0 H MET A 50 4.789 10.818 -6.310 1.00 25.00 H new ATOM 0 HA MET A 50 4.538 10.004 -3.634 1.00 25.00 H new ATOM 0 HB2 MET A 50 6.862 11.269 -5.103 1.00 25.00 H new ATOM 0 HB3 MET A 50 6.976 10.535 -3.516 1.00 25.00 H new ATOM 0 HG2 MET A 50 6.223 9.131 -6.069 1.00 25.00 H new ATOM 0 HG3 MET A 50 7.784 9.070 -5.274 1.00 25.00 H new ATOM 0 HE1 MET A 50 4.622 6.133 -4.841 1.00 25.00 H new ATOM 0 HE2 MET A 50 3.901 7.760 -4.802 1.00 25.00 H new ATOM 0 HE3 MET A 50 5.032 7.318 -6.103 1.00 25.00 H new ATOM 831 N GLN A 51 4.932 13.203 -4.192 1.00 25.00 N ATOM 832 CA GLN A 51 4.842 14.506 -3.582 1.00 25.00 C ATOM 833 C GLN A 51 3.494 14.678 -2.925 1.00 25.00 C ATOM 834 O GLN A 51 3.418 15.277 -1.821 1.00 25.00 O ATOM 835 CB GLN A 51 5.048 15.618 -4.598 1.00 25.00 C ATOM 836 CG GLN A 51 5.280 16.989 -3.929 1.00 25.00 C ATOM 837 CD GLN A 51 5.700 18.049 -4.888 1.00 25.00 C ATOM 838 OE1 GLN A 51 6.019 17.773 -6.021 1.00 25.00 O ATOM 839 NE2 GLN A 51 5.737 19.279 -4.431 1.00 25.00 N ATOM 0 H GLN A 51 4.989 13.212 -5.210 1.00 25.00 H new ATOM 0 HA GLN A 51 5.633 14.573 -2.835 1.00 25.00 H new ATOM 0 HB2 GLN A 51 5.902 15.376 -5.230 1.00 25.00 H new ATOM 0 HB3 GLN A 51 4.176 15.677 -5.250 1.00 25.00 H new ATOM 0 HG2 GLN A 51 4.363 17.302 -3.431 1.00 25.00 H new ATOM 0 HG3 GLN A 51 6.042 16.884 -3.157 1.00 25.00 H new ATOM 0 HE21 GLN A 51 5.460 19.474 -3.469 1.00 25.00 H new ATOM 0 HE22 GLN A 51 6.042 20.040 -5.038 1.00 25.00 H new ATOM 848 N GLN A 52 2.457 14.168 -3.535 1.00 25.00 N ATOM 849 CA GLN A 52 1.122 14.181 -2.932 1.00 25.00 C ATOM 850 C GLN A 52 1.065 13.213 -1.731 1.00 25.00 C ATOM 851 O GLN A 52 0.555 13.607 -0.685 1.00 25.00 O ATOM 852 CB GLN A 52 0.099 13.762 -3.986 1.00 25.00 C ATOM 853 CG GLN A 52 -1.318 13.934 -3.530 1.00 25.00 C ATOM 854 CD GLN A 52 -1.700 15.338 -3.346 1.00 25.00 C ATOM 855 OE1 GLN A 52 -1.444 16.152 -4.234 1.00 25.00 O ATOM 856 NE2 GLN A 52 -2.176 15.715 -2.178 1.00 25.00 N ATOM 0 H GLN A 52 2.497 13.732 -4.456 1.00 25.00 H new ATOM 0 HA GLN A 52 0.896 15.186 -2.575 1.00 25.00 H new ATOM 0 HB2 GLN A 52 0.257 14.349 -4.891 1.00 25.00 H new ATOM 0 HB3 GLN A 52 0.265 12.718 -4.250 1.00 25.00 H new ATOM 0 HG2 GLN A 52 -1.986 13.475 -4.259 1.00 25.00 H new ATOM 0 HG3 GLN A 52 -1.458 13.400 -2.590 1.00 25.00 H new ATOM 0 HE21 GLN A 52 -2.379 15.018 -1.461 1.00 25.00 H new ATOM 0 HE22 GLN A 52 -2.342 16.704 -1.990 1.00 25.00 H new ATOM 865 N LEU A 53 1.569 11.988 -1.850 1.00 25.00 N ATOM 866 CA LEU A 53 1.497 11.066 -0.737 1.00 25.00 C ATOM 867 C LEU A 53 2.174 11.636 0.492 1.00 25.00 C ATOM 868 O LEU A 53 1.695 11.433 1.583 1.00 25.00 O ATOM 869 CB LEU A 53 2.135 9.685 -1.094 1.00 25.00 C ATOM 870 CG LEU A 53 1.225 8.829 -2.003 1.00 25.00 C ATOM 871 CD1 LEU A 53 1.943 7.552 -2.388 1.00 25.00 C ATOM 872 CD2 LEU A 53 -0.116 8.449 -1.345 1.00 25.00 C ATOM 0 H LEU A 53 2.021 11.623 -2.688 1.00 25.00 H new ATOM 0 HA LEU A 53 0.440 10.914 -0.520 1.00 25.00 H new ATOM 0 HB2 LEU A 53 3.091 9.848 -1.592 1.00 25.00 H new ATOM 0 HB3 LEU A 53 2.344 9.137 -0.175 1.00 25.00 H new ATOM 0 HG LEU A 53 1.004 9.443 -2.876 1.00 25.00 H new ATOM 0 HD11 LEU A 53 1.298 6.951 -3.029 1.00 25.00 H new ATOM 0 HD12 LEU A 53 2.860 7.797 -2.924 1.00 25.00 H new ATOM 0 HD13 LEU A 53 2.188 6.987 -1.489 1.00 25.00 H new ATOM 0 HD21 LEU A 53 -0.705 7.849 -2.039 1.00 25.00 H new ATOM 0 HD22 LEU A 53 0.074 7.874 -0.438 1.00 25.00 H new ATOM 0 HD23 LEU A 53 -0.667 9.355 -1.092 1.00 25.00 H new ATOM 884 N TYR A 54 3.250 12.385 0.316 1.00 25.00 N ATOM 885 CA TYR A 54 3.981 12.943 1.453 1.00 25.00 C ATOM 886 C TYR A 54 3.032 13.824 2.305 1.00 25.00 C ATOM 887 O TYR A 54 3.061 13.763 3.534 1.00 25.00 O ATOM 888 CB TYR A 54 5.181 13.767 0.939 1.00 25.00 C ATOM 889 CG TYR A 54 5.534 14.981 1.789 1.00 25.00 C ATOM 890 CD1 TYR A 54 6.309 14.816 2.952 1.00 25.00 C ATOM 891 CD2 TYR A 54 5.083 16.282 1.435 1.00 25.00 C ATOM 892 CE1 TYR A 54 6.621 15.959 3.786 1.00 25.00 C ATOM 893 CE2 TYR A 54 5.342 17.394 2.240 1.00 25.00 C ATOM 894 CZ TYR A 54 6.109 17.238 3.407 1.00 25.00 C ATOM 895 OH TYR A 54 6.403 18.344 4.187 1.00 25.00 O ATOM 0 H TYR A 54 3.639 12.623 -0.596 1.00 25.00 H new ATOM 0 HA TYR A 54 4.356 12.135 2.082 1.00 25.00 H new ATOM 0 HB2 TYR A 54 6.053 13.115 0.881 1.00 25.00 H new ATOM 0 HB3 TYR A 54 4.966 14.102 -0.076 1.00 25.00 H new ATOM 0 HD1 TYR A 54 6.672 13.836 3.223 1.00 25.00 H new ATOM 0 HD2 TYR A 54 4.525 16.414 0.520 1.00 25.00 H new ATOM 0 HE1 TYR A 54 7.226 15.847 4.673 1.00 25.00 H new ATOM 0 HE2 TYR A 54 4.956 18.365 1.968 1.00 25.00 H new ATOM 0 HH TYR A 54 5.984 19.140 3.798 1.00 25.00 H new ATOM 905 N GLN A 55 2.223 14.601 1.654 1.00 25.00 N ATOM 906 CA GLN A 55 1.232 15.462 2.308 1.00 25.00 C ATOM 907 C GLN A 55 0.093 14.635 2.912 1.00 25.00 C ATOM 908 O GLN A 55 -0.417 14.992 3.983 1.00 25.00 O ATOM 909 CB GLN A 55 0.662 16.435 1.264 1.00 25.00 C ATOM 910 CG GLN A 55 1.759 17.263 0.529 1.00 25.00 C ATOM 911 CD GLN A 55 1.170 18.312 -0.354 1.00 25.00 C ATOM 912 OE1 GLN A 55 0.602 19.279 0.105 1.00 25.00 O ATOM 913 NE2 GLN A 55 1.327 18.142 -1.654 1.00 25.00 N ATOM 0 H GLN A 55 2.216 14.671 0.636 1.00 25.00 H new ATOM 0 HA GLN A 55 1.718 16.008 3.117 1.00 25.00 H new ATOM 0 HB2 GLN A 55 0.088 15.872 0.528 1.00 25.00 H new ATOM 0 HB3 GLN A 55 -0.031 17.118 1.755 1.00 25.00 H new ATOM 0 HG2 GLN A 55 2.412 17.733 1.264 1.00 25.00 H new ATOM 0 HG3 GLN A 55 2.380 16.594 -0.067 1.00 25.00 H new ATOM 0 HE21 GLN A 55 1.811 17.316 -2.006 1.00 25.00 H new ATOM 0 HE22 GLN A 55 0.965 18.837 -2.307 1.00 25.00 H new ATOM 922 N VAL A 56 -0.267 13.523 2.282 1.00 25.00 N ATOM 923 CA VAL A 56 -1.332 12.627 2.824 1.00 25.00 C ATOM 924 C VAL A 56 -0.814 11.927 4.088 1.00 25.00 C ATOM 925 O VAL A 56 -1.558 11.726 5.051 1.00 25.00 O ATOM 926 CB VAL A 56 -1.768 11.560 1.763 1.00 25.00 C ATOM 927 CG1 VAL A 56 -2.851 10.613 2.328 1.00 25.00 C ATOM 928 CG2 VAL A 56 -2.330 12.273 0.523 1.00 25.00 C ATOM 0 H VAL A 56 0.145 13.206 1.405 1.00 25.00 H new ATOM 0 HA VAL A 56 -2.204 13.234 3.069 1.00 25.00 H new ATOM 0 HB VAL A 56 -0.891 10.968 1.501 1.00 25.00 H new ATOM 0 HG11 VAL A 56 -3.131 9.885 1.567 1.00 25.00 H new ATOM 0 HG12 VAL A 56 -2.459 10.092 3.201 1.00 25.00 H new ATOM 0 HG13 VAL A 56 -3.728 11.193 2.615 1.00 25.00 H new ATOM 0 HG21 VAL A 56 -2.634 11.532 -0.216 1.00 25.00 H new ATOM 0 HG22 VAL A 56 -3.192 12.875 0.809 1.00 25.00 H new ATOM 0 HG23 VAL A 56 -1.563 12.919 0.096 1.00 25.00 H new ATOM 938 N GLN A 57 0.468 11.624 4.140 1.00 25.00 N ATOM 939 CA GLN A 57 1.074 10.961 5.286 1.00 25.00 C ATOM 940 C GLN A 57 1.041 11.960 6.455 1.00 25.00 C ATOM 941 O GLN A 57 0.597 11.583 7.558 1.00 25.00 O ATOM 942 CB GLN A 57 2.533 10.565 4.995 1.00 25.00 C ATOM 943 CG GLN A 57 2.709 9.273 4.244 1.00 25.00 C ATOM 944 CD GLN A 57 3.563 8.240 4.957 1.00 25.00 C ATOM 945 OE1 GLN A 57 3.311 7.874 6.047 1.00 25.00 O ATOM 946 NE2 GLN A 57 4.589 7.737 4.265 1.00 25.00 N ATOM 0 H GLN A 57 1.125 11.830 3.387 1.00 25.00 H new ATOM 0 HA GLN A 57 0.525 10.049 5.519 1.00 25.00 H new ATOM 0 HB2 GLN A 57 3.003 11.366 4.424 1.00 25.00 H new ATOM 0 HB3 GLN A 57 3.069 10.492 5.942 1.00 25.00 H new ATOM 0 HG2 GLN A 57 1.726 8.843 4.052 1.00 25.00 H new ATOM 0 HG3 GLN A 57 3.157 9.490 3.274 1.00 25.00 H new ATOM 0 HE21 GLN A 57 4.782 8.074 3.322 1.00 25.00 H new ATOM 0 HE22 GLN A 57 5.179 7.015 4.680 1.00 25.00 H new ATOM 955 N LEU A 58 1.418 13.194 6.202 1.00 25.00 N ATOM 956 CA LEU A 58 1.387 14.203 7.221 1.00 25.00 C ATOM 957 C LEU A 58 -0.071 14.520 7.633 1.00 25.00 C ATOM 958 O LEU A 58 -0.351 14.716 8.821 1.00 25.00 O ATOM 959 CB LEU A 58 2.058 15.471 6.692 1.00 25.00 C ATOM 960 CG LEU A 58 3.617 15.430 6.525 1.00 25.00 C ATOM 961 CD1 LEU A 58 4.059 16.869 6.196 1.00 25.00 C ATOM 962 CD2 LEU A 58 4.411 14.931 7.761 1.00 25.00 C ATOM 0 H LEU A 58 1.750 13.517 5.293 1.00 25.00 H new ATOM 0 HA LEU A 58 1.921 13.836 8.098 1.00 25.00 H new ATOM 0 HB2 LEU A 58 1.619 15.709 5.723 1.00 25.00 H new ATOM 0 HB3 LEU A 58 1.810 16.292 7.364 1.00 25.00 H new ATOM 0 HG LEU A 58 3.839 14.705 5.742 1.00 25.00 H new ATOM 0 HD11 LEU A 58 5.141 16.897 6.069 1.00 25.00 H new ATOM 0 HD12 LEU A 58 3.577 17.196 5.275 1.00 25.00 H new ATOM 0 HD13 LEU A 58 3.772 17.533 7.011 1.00 25.00 H new ATOM 0 HD21 LEU A 58 5.478 14.943 7.537 1.00 25.00 H new ATOM 0 HD22 LEU A 58 4.211 15.585 8.610 1.00 25.00 H new ATOM 0 HD23 LEU A 58 4.103 13.915 8.005 1.00 25.00 H new ATOM 974 N ALA A 59 -0.996 14.435 6.706 1.00 25.00 N ATOM 975 CA ALA A 59 -2.416 14.582 7.018 1.00 25.00 C ATOM 976 C ALA A 59 -2.866 13.508 8.010 1.00 25.00 C ATOM 977 O ALA A 59 -3.695 13.776 8.911 1.00 25.00 O ATOM 978 CB ALA A 59 -3.220 14.474 5.761 1.00 25.00 C ATOM 0 H ALA A 59 -0.798 14.264 5.720 1.00 25.00 H new ATOM 0 HA ALA A 59 -2.573 15.561 7.471 1.00 25.00 H new ATOM 0 HB1 ALA A 59 -4.279 14.584 5.996 1.00 25.00 H new ATOM 0 HB2 ALA A 59 -2.919 15.259 5.068 1.00 25.00 H new ATOM 0 HB3 ALA A 59 -3.049 13.500 5.302 1.00 25.00 H new ATOM 984 N GLN A 60 -2.361 12.290 7.818 1.00 25.00 N ATOM 985 CA GLN A 60 -2.696 11.177 8.726 1.00 25.00 C ATOM 986 C GLN A 60 -2.068 11.403 10.083 1.00 25.00 C ATOM 987 O GLN A 60 -2.654 10.998 11.102 1.00 25.00 O ATOM 988 CB GLN A 60 -2.160 9.820 8.207 1.00 25.00 C ATOM 989 CG GLN A 60 -2.900 9.320 6.983 1.00 25.00 C ATOM 990 CD GLN A 60 -2.505 7.862 6.623 1.00 25.00 C ATOM 991 OE1 GLN A 60 -2.904 6.923 7.277 1.00 25.00 O ATOM 992 NE2 GLN A 60 -1.735 7.699 5.586 1.00 25.00 N ATOM 0 H GLN A 60 -1.728 12.044 7.057 1.00 25.00 H new ATOM 0 HA GLN A 60 -3.784 11.146 8.785 1.00 25.00 H new ATOM 0 HB2 GLN A 60 -1.101 9.921 7.968 1.00 25.00 H new ATOM 0 HB3 GLN A 60 -2.238 9.077 9.001 1.00 25.00 H new ATOM 0 HG2 GLN A 60 -3.974 9.372 7.162 1.00 25.00 H new ATOM 0 HG3 GLN A 60 -2.686 9.973 6.137 1.00 25.00 H new ATOM 0 HE21 GLN A 60 -1.415 8.510 5.056 1.00 25.00 H new ATOM 0 HE22 GLN A 60 -1.451 6.761 5.304 1.00 25.00 H new ATOM 1001 N GLN A 61 -0.896 12.042 10.094 1.00 25.00 N ATOM 1002 CA GLN A 61 -0.204 12.258 11.342 1.00 25.00 C ATOM 1003 C GLN A 61 -0.925 13.287 12.206 1.00 25.00 C ATOM 1004 O GLN A 61 -1.137 13.080 13.405 1.00 25.00 O ATOM 1005 CB GLN A 61 1.232 12.711 11.122 1.00 25.00 C ATOM 1006 CG GLN A 61 2.116 11.609 10.530 1.00 25.00 C ATOM 1007 CD GLN A 61 2.557 10.556 11.556 1.00 25.00 C ATOM 1008 OE1 GLN A 61 1.764 9.780 12.073 1.00 25.00 O ATOM 1009 NE2 GLN A 61 3.824 10.514 11.826 1.00 25.00 N ATOM 0 H GLN A 61 -0.424 12.407 9.267 1.00 25.00 H new ATOM 0 HA GLN A 61 -0.194 11.298 11.858 1.00 25.00 H new ATOM 0 HB2 GLN A 61 1.238 13.573 10.455 1.00 25.00 H new ATOM 0 HB3 GLN A 61 1.655 13.039 12.072 1.00 25.00 H new ATOM 0 HG2 GLN A 61 1.574 11.114 9.724 1.00 25.00 H new ATOM 0 HG3 GLN A 61 3.001 12.064 10.086 1.00 25.00 H new ATOM 0 HE21 GLN A 61 4.463 11.173 11.380 1.00 25.00 H new ATOM 0 HE22 GLN A 61 4.183 9.822 12.484 1.00 25.00 H new ATOM 1018 N GLN A 62 -1.316 14.384 11.621 1.00 25.00 N ATOM 1019 CA GLN A 62 -2.067 15.373 12.374 1.00 25.00 C ATOM 1020 C GLN A 62 -3.490 14.840 12.763 1.00 25.00 C ATOM 1021 O GLN A 62 -4.025 15.268 13.796 1.00 25.00 O ATOM 1022 CB GLN A 62 -2.132 16.700 11.596 1.00 25.00 C ATOM 1023 CG GLN A 62 -2.979 16.638 10.301 1.00 25.00 C ATOM 1024 CD GLN A 62 -2.995 17.911 9.581 1.00 25.00 C ATOM 1025 OE1 GLN A 62 -2.033 18.637 9.555 1.00 25.00 O ATOM 1026 NE2 GLN A 62 -4.092 18.209 8.993 1.00 25.00 N ATOM 0 H GLN A 62 -1.137 14.622 10.645 1.00 25.00 H new ATOM 0 HA GLN A 62 -1.545 15.565 13.311 1.00 25.00 H new ATOM 0 HB2 GLN A 62 -2.543 17.471 12.248 1.00 25.00 H new ATOM 0 HB3 GLN A 62 -1.118 17.007 11.339 1.00 25.00 H new ATOM 0 HG2 GLN A 62 -2.583 15.860 9.648 1.00 25.00 H new ATOM 0 HG3 GLN A 62 -4.001 16.353 10.552 1.00 25.00 H new ATOM 0 HE21 GLN A 62 -4.885 17.569 9.037 1.00 25.00 H new ATOM 0 HE22 GLN A 62 -4.174 19.087 8.480 1.00 25.00 H new ATOM 1035 N ALA A 63 -4.064 13.916 11.983 1.00 25.00 N ATOM 1036 CA ALA A 63 -5.420 13.341 12.246 1.00 25.00 C ATOM 1037 C ALA A 63 -5.366 12.346 13.442 1.00 25.00 C ATOM 1038 O ALA A 63 -6.397 12.086 14.097 1.00 25.00 O ATOM 1039 CB ALA A 63 -5.962 12.634 10.981 1.00 25.00 C ATOM 0 H ALA A 63 -3.615 13.536 11.149 1.00 25.00 H new ATOM 0 HA ALA A 63 -6.096 14.156 12.504 1.00 25.00 H new ATOM 0 HB1 ALA A 63 -6.949 12.221 11.190 1.00 25.00 H new ATOM 0 HB2 ALA A 63 -6.034 13.353 10.165 1.00 25.00 H new ATOM 0 HB3 ALA A 63 -5.285 11.829 10.696 1.00 25.00 H new ATOM 1045 N ALA A 64 -4.175 11.839 13.694 1.00 25.00 N ATOM 1046 CA ALA A 64 -3.916 10.962 14.848 1.00 25.00 C ATOM 1047 C ALA A 64 -3.620 11.834 16.091 1.00 25.00 C ATOM 1048 O ALA A 64 -3.926 11.450 17.214 1.00 25.00 O ATOM 1049 CB ALA A 64 -2.710 10.081 14.558 1.00 25.00 C ATOM 0 H ALA A 64 -3.354 12.015 13.114 1.00 25.00 H new ATOM 0 HA ALA A 64 -4.789 10.335 15.032 1.00 25.00 H new ATOM 0 HB1 ALA A 64 -2.519 9.432 15.413 1.00 25.00 H new ATOM 0 HB2 ALA A 64 -2.909 9.471 13.677 1.00 25.00 H new ATOM 0 HB3 ALA A 64 -1.837 10.708 14.376 1.00 25.00 H new ATOM 1055 N LEU A 65 -3.053 13.010 15.882 1.00 25.00 N ATOM 1056 CA LEU A 65 -2.726 13.903 17.013 1.00 25.00 C ATOM 1057 C LEU A 65 -3.904 14.772 17.453 1.00 25.00 C ATOM 1058 O LEU A 65 -4.212 14.823 18.632 1.00 25.00 O ATOM 1059 CB LEU A 65 -1.518 14.781 16.686 1.00 25.00 C ATOM 1060 CG LEU A 65 -0.107 14.137 16.543 1.00 25.00 C ATOM 1061 CD1 LEU A 65 0.859 15.131 15.883 1.00 25.00 C ATOM 1062 CD2 LEU A 65 0.470 13.700 17.866 1.00 25.00 C ATOM 0 H LEU A 65 -2.808 13.376 14.962 1.00 25.00 H new ATOM 0 HA LEU A 65 -2.481 13.250 17.851 1.00 25.00 H new ATOM 0 HB2 LEU A 65 -1.735 15.298 15.751 1.00 25.00 H new ATOM 0 HB3 LEU A 65 -1.450 15.543 17.463 1.00 25.00 H new ATOM 0 HG LEU A 65 -0.229 13.249 15.922 1.00 25.00 H new ATOM 0 HD11 LEU A 65 1.843 14.673 15.787 1.00 25.00 H new ATOM 0 HD12 LEU A 65 0.486 15.400 14.895 1.00 25.00 H new ATOM 0 HD13 LEU A 65 0.935 16.028 16.498 1.00 25.00 H new ATOM 0 HD21 LEU A 65 1.454 13.259 17.706 1.00 25.00 H new ATOM 0 HD22 LEU A 65 0.562 14.563 18.525 1.00 25.00 H new ATOM 0 HD23 LEU A 65 -0.189 12.962 18.324 1.00 25.00 H new ATOM 1074 N GLN A 66 -4.556 15.479 16.512 1.00 25.00 N ATOM 1075 CA GLN A 66 -5.645 16.418 16.821 1.00 25.00 C ATOM 1076 C GLN A 66 -5.297 17.390 17.969 1.00 25.00 C ATOM 1077 O GLN A 66 -6.103 17.704 18.841 1.00 25.00 O ATOM 1078 CB GLN A 66 -6.935 15.666 17.027 1.00 25.00 C ATOM 1079 CG GLN A 66 -7.475 15.078 15.725 1.00 25.00 C ATOM 1080 CD GLN A 66 -7.917 16.131 14.745 1.00 25.00 C ATOM 1081 OE1 GLN A 66 -7.151 16.536 13.895 1.00 25.00 O ATOM 1082 NE2 GLN A 66 -9.146 16.551 14.831 1.00 25.00 N ATOM 0 H GLN A 66 -4.341 15.414 15.517 1.00 25.00 H new ATOM 0 HA GLN A 66 -5.786 17.071 15.960 1.00 25.00 H new ATOM 0 HB2 GLN A 66 -6.775 14.863 17.747 1.00 25.00 H new ATOM 0 HB3 GLN A 66 -7.679 16.336 17.457 1.00 25.00 H new ATOM 0 HG2 GLN A 66 -6.704 14.461 15.264 1.00 25.00 H new ATOM 0 HG3 GLN A 66 -8.316 14.422 15.950 1.00 25.00 H new ATOM 0 HE21 GLN A 66 -9.760 16.187 15.560 1.00 25.00 H new ATOM 0 HE22 GLN A 66 -9.495 17.245 14.170 1.00 25.00 H new ATOM 1091 N LYS A 67 -4.062 17.932 17.857 1.00 25.00 N ATOM 1092 CA LYS A 67 -3.586 18.933 18.825 1.00 25.00 C ATOM 1093 C LYS A 67 -3.514 20.335 18.218 1.00 25.00 C ATOM 1094 O LYS A 67 -3.139 21.297 18.880 1.00 25.00 O ATOM 1095 CB LYS A 67 -2.193 18.499 19.391 1.00 25.00 C ATOM 1096 CG LYS A 67 -2.230 18.163 20.881 1.00 25.00 C ATOM 1097 CD LYS A 67 -2.950 16.835 21.172 1.00 25.00 C ATOM 1098 CE LYS A 67 -3.025 16.546 22.669 1.00 25.00 C ATOM 1099 NZ LYS A 67 -3.660 15.186 22.849 1.00 25.00 N ATOM 0 H LYS A 67 -3.395 17.697 17.122 1.00 25.00 H new ATOM 0 HA LYS A 67 -4.308 18.981 19.640 1.00 25.00 H new ATOM 0 HB2 LYS A 67 -1.837 17.630 18.837 1.00 25.00 H new ATOM 0 HB3 LYS A 67 -1.474 19.300 19.223 1.00 25.00 H new ATOM 0 HG2 LYS A 67 -1.210 18.110 21.263 1.00 25.00 H new ATOM 0 HG3 LYS A 67 -2.730 18.968 21.419 1.00 25.00 H new ATOM 0 HD2 LYS A 67 -3.958 16.870 20.758 1.00 25.00 H new ATOM 0 HD3 LYS A 67 -2.427 16.021 20.671 1.00 25.00 H new ATOM 0 HE2 LYS A 67 -2.029 16.563 23.111 1.00 25.00 H new ATOM 0 HE3 LYS A 67 -3.612 17.311 23.176 1.00 25.00 H new ATOM 0 HZ1 LYS A 67 -3.723 14.964 23.863 1.00 25.00 H new ATOM 0 HZ2 LYS A 67 -4.614 15.191 22.435 1.00 25.00 H new ATOM 0 HZ3 LYS A 67 -3.080 14.466 22.372 1.00 25.00 H new ATOM 1113 N GLN A 68 -3.941 20.470 16.966 1.00 25.00 N ATOM 1114 CA GLN A 68 -4.044 21.808 16.321 1.00 25.00 C ATOM 1115 C GLN A 68 -5.456 22.024 15.792 1.00 25.00 C ATOM 1116 O GLN A 68 -5.816 21.593 14.711 1.00 25.00 O ATOM 1117 CB GLN A 68 -3.106 21.894 15.154 1.00 25.00 C ATOM 1118 CG GLN A 68 -1.634 22.127 15.560 1.00 25.00 C ATOM 1119 CD GLN A 68 -0.696 22.135 14.390 1.00 25.00 C ATOM 1120 OE1 GLN A 68 -0.843 21.370 13.466 1.00 25.00 O ATOM 1121 NE2 GLN A 68 0.285 23.030 14.417 1.00 25.00 N ATOM 0 H GLN A 68 -4.222 19.691 16.371 1.00 25.00 H new ATOM 0 HA GLN A 68 -3.794 22.562 17.067 1.00 25.00 H new ATOM 0 HB2 GLN A 68 -3.173 20.972 14.576 1.00 25.00 H new ATOM 0 HB3 GLN A 68 -3.427 22.705 14.500 1.00 25.00 H new ATOM 0 HG2 GLN A 68 -1.555 23.077 16.088 1.00 25.00 H new ATOM 0 HG3 GLN A 68 -1.328 21.348 16.258 1.00 25.00 H new ATOM 0 HE21 GLN A 68 0.379 23.660 15.214 1.00 25.00 H new ATOM 0 HE22 GLN A 68 0.945 23.087 13.641 1.00 25.00 H new ATOM 1130 N GLN A 69 -6.287 22.737 16.553 1.00 25.00 N ATOM 1131 CA GLN A 69 -7.663 23.015 16.080 1.00 25.00 C ATOM 1132 C GLN A 69 -8.161 24.374 16.593 1.00 25.00 C ATOM 1133 O GLN A 69 -8.433 25.308 15.914 1.00 25.00 O ATOM 1134 CB GLN A 69 -8.603 21.832 16.342 1.00 25.00 C ATOM 1135 CG GLN A 69 -9.934 22.021 15.631 1.00 25.00 C ATOM 1136 CD GLN A 69 -10.906 20.910 15.932 1.00 25.00 C ATOM 1137 OE1 GLN A 69 -11.619 20.908 16.901 1.00 25.00 O ATOM 1138 NE2 GLN A 69 -10.990 19.926 15.061 1.00 25.00 N ATOM 1139 OXT GLN A 69 -8.233 24.455 17.865 1.00 25.00 O ATOM 0 H GLN A 69 -6.054 23.124 17.467 1.00 25.00 H new ATOM 0 HA GLN A 69 -7.652 23.113 14.994 1.00 25.00 H new ATOM 0 HB2 GLN A 69 -8.134 20.909 16.002 1.00 25.00 H new ATOM 0 HB3 GLN A 69 -8.772 21.728 17.414 1.00 25.00 H new ATOM 0 HG2 GLN A 69 -10.371 22.974 15.930 1.00 25.00 H new ATOM 0 HG3 GLN A 69 -9.765 22.071 14.555 1.00 25.00 H new ATOM 0 HE21 GLN A 69 -10.389 19.921 14.237 1.00 25.00 H new ATOM 0 HE22 GLN A 69 -11.657 19.168 15.210 1.00 25.00 H new TER 1149 GLN A 69