USER MOD reduce.3.24.130724 H: found=0, std=0, add=624, rem=0, adj=13 USER MOD reduce.3.24.130724 removed 623 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 25 TYR OH : rot -119:sc= 0.18 USER MOD Set 1.2: A 29 THR OG1 : rot 12:sc= 0.701 USER MOD Set 1.3: A 57 THR OG1 : rot -77:sc= 0.0681 USER MOD Set 1.4: A 64 SER OG : rot 179:sc= -5.9! USER MOD Single : A 1 MET CE :methyl -129:sc= -2.1 (180deg=-10.6!) USER MOD Single : A 1 MET N :NH3+ -124:sc= 0.302 (180deg=-0.0459) USER MOD Single : A 4 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 7 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 9 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 10 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 11 ASN : amide:sc= -1.17 K(o=-1.2,f=-18!) USER MOD Single : A 15 ASN : amide:sc= -2.09 K(o=-2.1,f=-3.1!) USER MOD Single : A 24 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 28 SER OG : rot -42:sc= 0.064 USER MOD Single : A 31 SER OG : rot 180:sc= 0 USER MOD Single : A 33 ASN : amide:sc= -1.87 K(o=-1.9,f=-6.5!) USER MOD Single : A 37 ASN : amide:sc= -0.0766 K(o=-0.077,f=-0.69) USER MOD Single : A 38 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 42 MET CE :methyl 141:sc= -1.32 (180deg=-3.08!) USER MOD Single : A 44 ASN : amide:sc= -5.26! C(o=-5.3!,f=-4.3!) USER MOD Single : A 53 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 56 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 65 LYS NZ :NH3+ 163:sc=-0.00297 (180deg=-0.24) USER MOD Single : A 67 TYR OH : rot 119:sc= 0.123 USER MOD Single : A 69 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 71 TYR OH : rot 180:sc= 0 USER MOD Single : A 77 MET CE :methyl 154:sc= -2.13! (180deg=-2.46!) USER MOD ----------------------------------------------------------------- ATOM 1 N MET A 1 -12.529 -10.708 8.920 1.00 0.00 N ATOM 2 CA MET A 1 -11.078 -10.795 8.909 1.00 0.00 C ATOM 3 C MET A 1 -10.488 -10.281 10.224 1.00 0.00 C ATOM 4 O MET A 1 -11.221 -9.836 11.105 1.00 0.00 O ATOM 5 CB MET A 1 -10.526 -9.972 7.744 1.00 0.00 C ATOM 6 CG MET A 1 -10.792 -8.480 7.952 1.00 0.00 C ATOM 7 SD MET A 1 -12.145 -7.951 6.916 1.00 0.00 S ATOM 8 CE MET A 1 -11.945 -6.180 7.024 1.00 0.00 C ATOM 0 H1 MET A 1 -12.935 -11.646 8.728 1.00 0.00 H new ATOM 0 H2 MET A 1 -12.850 -10.376 9.852 1.00 0.00 H new ATOM 0 H3 MET A 1 -12.842 -10.039 8.188 1.00 0.00 H new ATOM 0 HA MET A 1 -10.796 -11.841 8.791 1.00 0.00 H new ATOM 0 HB2 MET A 1 -9.454 -10.144 7.648 1.00 0.00 H new ATOM 0 HB3 MET A 1 -10.986 -10.301 6.812 1.00 0.00 H new ATOM 0 HG2 MET A 1 -11.027 -8.287 8.999 1.00 0.00 H new ATOM 0 HG3 MET A 1 -9.896 -7.906 7.715 1.00 0.00 H new ATOM 0 HE1 MET A 1 -12.896 -5.722 7.295 1.00 0.00 H new ATOM 0 HE2 MET A 1 -11.200 -5.944 7.783 1.00 0.00 H new ATOM 0 HE3 MET A 1 -11.617 -5.791 6.060 1.00 0.00 H new ATOM 18 N ASP A 2 -9.168 -10.358 10.313 1.00 0.00 N ATOM 19 CA ASP A 2 -8.471 -9.906 11.505 1.00 0.00 C ATOM 20 C ASP A 2 -7.408 -8.879 11.109 1.00 0.00 C ATOM 21 O ASP A 2 -6.631 -9.109 10.184 1.00 0.00 O ATOM 22 CB ASP A 2 -7.767 -11.069 12.206 1.00 0.00 C ATOM 23 CG ASP A 2 -8.355 -11.456 13.565 1.00 0.00 C ATOM 24 OD1 ASP A 2 -9.363 -12.194 13.558 1.00 0.00 O ATOM 25 OD2 ASP A 2 -7.782 -11.004 14.580 1.00 0.00 O ATOM 0 H ASP A 2 -8.563 -10.727 9.579 1.00 0.00 H new ATOM 0 HA ASP A 2 -9.206 -9.470 12.181 1.00 0.00 H new ATOM 0 HB2 ASP A 2 -7.798 -11.940 11.552 1.00 0.00 H new ATOM 0 HB3 ASP A 2 -6.717 -10.810 12.342 1.00 0.00 H new ATOM 30 N ILE A 3 -7.407 -7.768 11.831 1.00 0.00 N ATOM 31 CA ILE A 3 -6.452 -6.705 11.567 1.00 0.00 C ATOM 32 C ILE A 3 -5.558 -6.513 12.794 1.00 0.00 C ATOM 33 O ILE A 3 -6.010 -6.669 13.927 1.00 0.00 O ATOM 34 CB ILE A 3 -7.176 -5.431 11.128 1.00 0.00 C ATOM 35 CG1 ILE A 3 -8.051 -5.692 9.900 1.00 0.00 C ATOM 36 CG2 ILE A 3 -6.184 -4.290 10.893 1.00 0.00 C ATOM 37 CD1 ILE A 3 -8.902 -4.467 9.562 1.00 0.00 C ATOM 0 H ILE A 3 -8.052 -7.581 12.599 1.00 0.00 H new ATOM 0 HA ILE A 3 -5.800 -6.976 10.736 1.00 0.00 H new ATOM 0 HB ILE A 3 -7.839 -5.120 11.935 1.00 0.00 H new ATOM 0 HG12 ILE A 3 -7.421 -5.948 9.048 1.00 0.00 H new ATOM 0 HG13 ILE A 3 -8.699 -6.549 10.086 1.00 0.00 H new ATOM 0 HG21 ILE A 3 -6.725 -3.396 10.582 1.00 0.00 H new ATOM 0 HG22 ILE A 3 -5.642 -4.083 11.816 1.00 0.00 H new ATOM 0 HG23 ILE A 3 -5.478 -4.577 10.114 1.00 0.00 H new ATOM 0 HD11 ILE A 3 -9.514 -4.680 8.686 1.00 0.00 H new ATOM 0 HD12 ILE A 3 -9.548 -4.229 10.407 1.00 0.00 H new ATOM 0 HD13 ILE A 3 -8.251 -3.618 9.353 1.00 0.00 H new ATOM 49 N LYS A 4 -4.304 -6.176 12.526 1.00 0.00 N ATOM 50 CA LYS A 4 -3.343 -5.961 13.593 1.00 0.00 C ATOM 51 C LYS A 4 -2.575 -4.665 13.329 1.00 0.00 C ATOM 52 O LYS A 4 -1.803 -4.580 12.375 1.00 0.00 O ATOM 53 CB LYS A 4 -2.442 -7.187 13.758 1.00 0.00 C ATOM 54 CG LYS A 4 -1.503 -7.342 12.560 1.00 0.00 C ATOM 55 CD LYS A 4 -0.980 -8.776 12.456 1.00 0.00 C ATOM 56 CE LYS A 4 0.549 -8.799 12.399 1.00 0.00 C ATOM 57 NZ LYS A 4 1.063 -10.128 12.799 1.00 0.00 N ATOM 0 H LYS A 4 -3.932 -6.047 11.585 1.00 0.00 H new ATOM 0 HA LYS A 4 -3.855 -5.839 14.548 1.00 0.00 H new ATOM 0 HB2 LYS A 4 -1.857 -7.093 14.673 1.00 0.00 H new ATOM 0 HB3 LYS A 4 -3.055 -8.082 13.862 1.00 0.00 H new ATOM 0 HG2 LYS A 4 -2.030 -7.076 11.644 1.00 0.00 H new ATOM 0 HG3 LYS A 4 -0.665 -6.652 12.658 1.00 0.00 H new ATOM 0 HD2 LYS A 4 -1.324 -9.356 13.313 1.00 0.00 H new ATOM 0 HD3 LYS A 4 -1.388 -9.252 11.564 1.00 0.00 H new ATOM 0 HE2 LYS A 4 0.885 -8.562 11.390 1.00 0.00 H new ATOM 0 HE3 LYS A 4 0.955 -8.032 13.059 1.00 0.00 H new ATOM 0 HZ1 LYS A 4 2.102 -10.126 12.755 1.00 0.00 H new ATOM 0 HZ2 LYS A 4 0.758 -10.340 13.770 1.00 0.00 H new ATOM 0 HZ3 LYS A 4 0.690 -10.853 12.153 1.00 0.00 H new ATOM 71 N ILE A 5 -2.813 -3.687 14.190 1.00 0.00 N ATOM 72 CA ILE A 5 -2.154 -2.398 14.061 1.00 0.00 C ATOM 73 C ILE A 5 -0.650 -2.576 14.283 1.00 0.00 C ATOM 74 O ILE A 5 -0.211 -2.844 15.401 1.00 0.00 O ATOM 75 CB ILE A 5 -2.796 -1.372 14.996 1.00 0.00 C ATOM 76 CG1 ILE A 5 -4.273 -1.165 14.652 1.00 0.00 C ATOM 77 CG2 ILE A 5 -2.016 -0.056 14.984 1.00 0.00 C ATOM 78 CD1 ILE A 5 -5.107 -0.957 15.917 1.00 0.00 C ATOM 0 H ILE A 5 -3.453 -3.761 14.980 1.00 0.00 H new ATOM 0 HA ILE A 5 -2.284 -2.002 13.054 1.00 0.00 H new ATOM 0 HB ILE A 5 -2.753 -1.763 16.013 1.00 0.00 H new ATOM 0 HG12 ILE A 5 -4.380 -0.301 13.996 1.00 0.00 H new ATOM 0 HG13 ILE A 5 -4.647 -2.030 14.104 1.00 0.00 H new ATOM 0 HG21 ILE A 5 -2.494 0.656 15.657 1.00 0.00 H new ATOM 0 HG22 ILE A 5 -0.993 -0.237 15.313 1.00 0.00 H new ATOM 0 HG23 ILE A 5 -2.005 0.351 13.973 1.00 0.00 H new ATOM 0 HD11 ILE A 5 -6.152 -0.812 15.644 1.00 0.00 H new ATOM 0 HD12 ILE A 5 -5.018 -1.833 16.560 1.00 0.00 H new ATOM 0 HD13 ILE A 5 -4.746 -0.077 16.450 1.00 0.00 H new ATOM 90 N ILE A 6 0.098 -2.419 13.201 1.00 0.00 N ATOM 91 CA ILE A 6 1.543 -2.558 13.264 1.00 0.00 C ATOM 92 C ILE A 6 2.136 -1.351 13.993 1.00 0.00 C ATOM 93 O ILE A 6 2.641 -1.481 15.107 1.00 0.00 O ATOM 94 CB ILE A 6 2.121 -2.775 11.864 1.00 0.00 C ATOM 95 CG1 ILE A 6 1.676 -4.122 11.290 1.00 0.00 C ATOM 96 CG2 ILE A 6 3.644 -2.631 11.871 1.00 0.00 C ATOM 97 CD1 ILE A 6 2.647 -5.235 11.687 1.00 0.00 C ATOM 0 H ILE A 6 -0.269 -2.197 12.276 1.00 0.00 H new ATOM 0 HA ILE A 6 1.816 -3.443 13.838 1.00 0.00 H new ATOM 0 HB ILE A 6 1.727 -1.999 11.208 1.00 0.00 H new ATOM 0 HG12 ILE A 6 0.676 -4.362 11.650 1.00 0.00 H new ATOM 0 HG13 ILE A 6 1.617 -4.057 10.204 1.00 0.00 H new ATOM 0 HG21 ILE A 6 4.029 -2.790 10.864 1.00 0.00 H new ATOM 0 HG22 ILE A 6 3.913 -1.630 12.209 1.00 0.00 H new ATOM 0 HG23 ILE A 6 4.076 -3.370 12.546 1.00 0.00 H new ATOM 0 HD11 ILE A 6 2.307 -6.181 11.266 1.00 0.00 H new ATOM 0 HD12 ILE A 6 3.641 -5.004 11.305 1.00 0.00 H new ATOM 0 HD13 ILE A 6 2.685 -5.314 12.773 1.00 0.00 H new ATOM 109 N LYS A 7 2.056 -0.204 13.335 1.00 0.00 N ATOM 110 CA LYS A 7 2.579 1.025 13.907 1.00 0.00 C ATOM 111 C LYS A 7 1.689 2.197 13.487 1.00 0.00 C ATOM 112 O LYS A 7 0.954 2.102 12.505 1.00 0.00 O ATOM 113 CB LYS A 7 4.051 1.206 13.535 1.00 0.00 C ATOM 114 CG LYS A 7 4.966 0.670 14.638 1.00 0.00 C ATOM 115 CD LYS A 7 5.648 -0.629 14.202 1.00 0.00 C ATOM 116 CE LYS A 7 6.332 -1.313 15.387 1.00 0.00 C ATOM 117 NZ LYS A 7 7.611 -0.641 15.707 1.00 0.00 N ATOM 0 H LYS A 7 1.637 -0.100 12.411 1.00 0.00 H new ATOM 0 HA LYS A 7 2.554 0.979 14.996 1.00 0.00 H new ATOM 0 HB2 LYS A 7 4.260 0.686 12.600 1.00 0.00 H new ATOM 0 HB3 LYS A 7 4.260 2.262 13.366 1.00 0.00 H new ATOM 0 HG2 LYS A 7 5.721 1.417 14.884 1.00 0.00 H new ATOM 0 HG3 LYS A 7 4.385 0.494 15.543 1.00 0.00 H new ATOM 0 HD2 LYS A 7 4.911 -1.302 13.765 1.00 0.00 H new ATOM 0 HD3 LYS A 7 6.384 -0.415 13.427 1.00 0.00 H new ATOM 0 HE2 LYS A 7 5.675 -1.290 16.256 1.00 0.00 H new ATOM 0 HE3 LYS A 7 6.514 -2.362 15.153 1.00 0.00 H new ATOM 0 HZ1 LYS A 7 8.062 -1.118 16.514 1.00 0.00 H new ATOM 0 HZ2 LYS A 7 8.242 -0.685 14.882 1.00 0.00 H new ATOM 0 HZ3 LYS A 7 7.429 0.354 15.951 1.00 0.00 H new ATOM 131 N ASP A 8 1.786 3.276 14.250 1.00 0.00 N ATOM 132 CA ASP A 8 1.000 4.465 13.969 1.00 0.00 C ATOM 133 C ASP A 8 1.927 5.680 13.903 1.00 0.00 C ATOM 134 O ASP A 8 2.491 6.091 14.915 1.00 0.00 O ATOM 135 CB ASP A 8 -0.032 4.716 15.071 1.00 0.00 C ATOM 136 CG ASP A 8 -0.506 6.166 15.194 1.00 0.00 C ATOM 137 OD1 ASP A 8 0.357 7.023 15.482 1.00 0.00 O ATOM 138 OD2 ASP A 8 -1.721 6.384 14.996 1.00 0.00 O ATOM 0 H ASP A 8 2.397 3.351 15.063 1.00 0.00 H new ATOM 0 HA ASP A 8 0.485 4.313 13.021 1.00 0.00 H new ATOM 0 HB2 ASP A 8 -0.898 4.080 14.888 1.00 0.00 H new ATOM 0 HB3 ASP A 8 0.395 4.407 16.025 1.00 0.00 H new ATOM 143 N LYS A 9 2.055 6.221 12.700 1.00 0.00 N ATOM 144 CA LYS A 9 2.904 7.381 12.488 1.00 0.00 C ATOM 145 C LYS A 9 2.028 8.607 12.224 1.00 0.00 C ATOM 146 O LYS A 9 0.981 8.501 11.588 1.00 0.00 O ATOM 147 CB LYS A 9 3.924 7.104 11.382 1.00 0.00 C ATOM 148 CG LYS A 9 4.529 8.407 10.855 1.00 0.00 C ATOM 149 CD LYS A 9 6.013 8.230 10.528 1.00 0.00 C ATOM 150 CE LYS A 9 6.438 9.158 9.388 1.00 0.00 C ATOM 151 NZ LYS A 9 7.019 8.377 8.273 1.00 0.00 N ATOM 0 H LYS A 9 1.585 5.877 11.862 1.00 0.00 H new ATOM 0 HA LYS A 9 3.489 7.593 13.383 1.00 0.00 H new ATOM 0 HB2 LYS A 9 4.716 6.460 11.765 1.00 0.00 H new ATOM 0 HB3 LYS A 9 3.443 6.566 10.565 1.00 0.00 H new ATOM 0 HG2 LYS A 9 3.992 8.726 9.962 1.00 0.00 H new ATOM 0 HG3 LYS A 9 4.408 9.195 11.598 1.00 0.00 H new ATOM 0 HD2 LYS A 9 6.612 8.439 11.414 1.00 0.00 H new ATOM 0 HD3 LYS A 9 6.207 7.194 10.250 1.00 0.00 H new ATOM 0 HE2 LYS A 9 5.578 9.725 9.033 1.00 0.00 H new ATOM 0 HE3 LYS A 9 7.168 9.881 9.753 1.00 0.00 H new ATOM 0 HZ1 LYS A 9 7.302 9.022 7.508 1.00 0.00 H new ATOM 0 HZ2 LYS A 9 7.852 7.855 8.612 1.00 0.00 H new ATOM 0 HZ3 LYS A 9 6.311 7.704 7.915 1.00 0.00 H new ATOM 165 N LYS A 10 2.489 9.744 12.726 1.00 0.00 N ATOM 166 CA LYS A 10 1.760 10.989 12.553 1.00 0.00 C ATOM 167 C LYS A 10 2.566 11.924 11.649 1.00 0.00 C ATOM 168 O LYS A 10 3.796 11.895 11.657 1.00 0.00 O ATOM 169 CB LYS A 10 1.410 11.598 13.911 1.00 0.00 C ATOM 170 CG LYS A 10 -0.059 12.026 13.958 1.00 0.00 C ATOM 171 CD LYS A 10 -0.242 13.260 14.844 1.00 0.00 C ATOM 172 CE LYS A 10 -1.691 13.750 14.808 1.00 0.00 C ATOM 173 NZ LYS A 10 -1.883 14.870 15.756 1.00 0.00 N ATOM 0 H LYS A 10 3.358 9.829 13.253 1.00 0.00 H new ATOM 0 HA LYS A 10 0.807 10.807 12.057 1.00 0.00 H new ATOM 0 HB2 LYS A 10 1.607 10.873 14.700 1.00 0.00 H new ATOM 0 HB3 LYS A 10 2.050 12.459 14.103 1.00 0.00 H new ATOM 0 HG2 LYS A 10 -0.411 12.243 12.949 1.00 0.00 H new ATOM 0 HG3 LYS A 10 -0.668 11.207 14.339 1.00 0.00 H new ATOM 0 HD2 LYS A 10 0.040 13.021 15.870 1.00 0.00 H new ATOM 0 HD3 LYS A 10 0.423 14.055 14.508 1.00 0.00 H new ATOM 0 HE2 LYS A 10 -1.947 14.072 13.799 1.00 0.00 H new ATOM 0 HE3 LYS A 10 -2.364 12.931 15.062 1.00 0.00 H new ATOM 0 HZ1 LYS A 10 -2.872 15.191 15.719 1.00 0.00 H new ATOM 0 HZ2 LYS A 10 -1.658 14.551 16.720 1.00 0.00 H new ATOM 0 HZ3 LYS A 10 -1.254 15.657 15.496 1.00 0.00 H new ATOM 187 N ASN A 11 1.840 12.732 10.890 1.00 0.00 N ATOM 188 CA ASN A 11 2.471 13.674 9.982 1.00 0.00 C ATOM 189 C ASN A 11 1.713 15.003 10.024 1.00 0.00 C ATOM 190 O ASN A 11 0.717 15.175 9.324 1.00 0.00 O ATOM 191 CB ASN A 11 2.440 13.157 8.542 1.00 0.00 C ATOM 192 CG ASN A 11 3.157 14.123 7.597 1.00 0.00 C ATOM 193 OD1 ASN A 11 3.325 15.298 7.879 1.00 0.00 O ATOM 194 ND2 ASN A 11 3.570 13.564 6.463 1.00 0.00 N ATOM 0 H ASN A 11 0.820 12.753 10.886 1.00 0.00 H new ATOM 0 HA ASN A 11 3.507 13.803 10.296 1.00 0.00 H new ATOM 0 HB2 ASN A 11 2.914 12.177 8.494 1.00 0.00 H new ATOM 0 HB3 ASN A 11 1.407 13.028 8.220 1.00 0.00 H new ATOM 0 HD21 ASN A 11 4.060 14.125 5.767 1.00 0.00 H new ATOM 0 HD22 ASN A 11 3.397 12.574 6.290 1.00 0.00 H new ATOM 201 N PRO A 12 2.228 15.931 10.874 1.00 0.00 N ATOM 202 CA PRO A 12 1.611 17.239 11.017 1.00 0.00 C ATOM 203 C PRO A 12 1.918 18.125 9.808 1.00 0.00 C ATOM 204 O PRO A 12 1.262 19.144 9.599 1.00 0.00 O ATOM 205 CB PRO A 12 2.165 17.796 12.318 1.00 0.00 C ATOM 206 CG PRO A 12 3.418 16.988 12.617 1.00 0.00 C ATOM 207 CD PRO A 12 3.407 15.761 11.719 1.00 0.00 C ATOM 0 HA PRO A 12 0.523 17.189 11.053 1.00 0.00 H new ATOM 0 HB2 PRO A 12 2.398 18.856 12.221 1.00 0.00 H new ATOM 0 HB3 PRO A 12 1.438 17.702 13.124 1.00 0.00 H new ATOM 0 HG2 PRO A 12 4.311 17.586 12.435 1.00 0.00 H new ATOM 0 HG3 PRO A 12 3.441 16.693 13.666 1.00 0.00 H new ATOM 0 HD2 PRO A 12 4.317 15.699 11.122 1.00 0.00 H new ATOM 0 HD3 PRO A 12 3.346 14.843 12.303 1.00 0.00 H new ATOM 215 N LEU A 13 2.915 17.704 9.044 1.00 0.00 N ATOM 216 CA LEU A 13 3.317 18.446 7.861 1.00 0.00 C ATOM 217 C LEU A 13 2.211 18.357 6.808 1.00 0.00 C ATOM 218 O LEU A 13 1.622 19.370 6.434 1.00 0.00 O ATOM 219 CB LEU A 13 4.681 17.964 7.364 1.00 0.00 C ATOM 220 CG LEU A 13 5.793 17.900 8.412 1.00 0.00 C ATOM 221 CD1 LEU A 13 7.089 17.359 7.804 1.00 0.00 C ATOM 222 CD2 LEU A 13 5.998 19.263 9.078 1.00 0.00 C ATOM 0 H LEU A 13 3.457 16.858 9.221 1.00 0.00 H new ATOM 0 HA LEU A 13 3.446 19.502 8.099 1.00 0.00 H new ATOM 0 HB2 LEU A 13 4.558 16.971 6.933 1.00 0.00 H new ATOM 0 HB3 LEU A 13 5.006 18.623 6.559 1.00 0.00 H new ATOM 0 HG LEU A 13 5.487 17.203 9.192 1.00 0.00 H new ATOM 0 HD11 LEU A 13 7.863 17.324 8.570 1.00 0.00 H new ATOM 0 HD12 LEU A 13 6.917 16.355 7.415 1.00 0.00 H new ATOM 0 HD13 LEU A 13 7.411 18.012 6.993 1.00 0.00 H new ATOM 0 HD21 LEU A 13 6.794 19.190 9.819 1.00 0.00 H new ATOM 0 HD22 LEU A 13 6.272 20.000 8.323 1.00 0.00 H new ATOM 0 HD23 LEU A 13 5.074 19.571 9.567 1.00 0.00 H new ATOM 234 N LEU A 14 1.962 17.135 6.360 1.00 0.00 N ATOM 235 CA LEU A 14 0.937 16.901 5.357 1.00 0.00 C ATOM 236 C LEU A 14 -0.440 16.934 6.023 1.00 0.00 C ATOM 237 O LEU A 14 -1.460 17.034 5.344 1.00 0.00 O ATOM 238 CB LEU A 14 1.220 15.605 4.594 1.00 0.00 C ATOM 239 CG LEU A 14 2.571 15.529 3.879 1.00 0.00 C ATOM 240 CD1 LEU A 14 2.739 14.186 3.166 1.00 0.00 C ATOM 241 CD2 LEU A 14 2.753 16.711 2.925 1.00 0.00 C ATOM 0 H LEU A 14 2.452 16.297 6.673 1.00 0.00 H new ATOM 0 HA LEU A 14 0.949 17.694 4.609 1.00 0.00 H new ATOM 0 HB2 LEU A 14 1.155 14.773 5.295 1.00 0.00 H new ATOM 0 HB3 LEU A 14 0.432 15.462 3.855 1.00 0.00 H new ATOM 0 HG LEU A 14 3.359 15.596 4.629 1.00 0.00 H new ATOM 0 HD11 LEU A 14 3.707 14.158 2.666 1.00 0.00 H new ATOM 0 HD12 LEU A 14 2.684 13.378 3.895 1.00 0.00 H new ATOM 0 HD13 LEU A 14 1.946 14.064 2.428 1.00 0.00 H new ATOM 0 HD21 LEU A 14 3.721 16.633 2.430 1.00 0.00 H new ATOM 0 HD22 LEU A 14 1.960 16.700 2.177 1.00 0.00 H new ATOM 0 HD23 LEU A 14 2.708 17.643 3.488 1.00 0.00 H new ATOM 253 N ASN A 15 -0.424 16.847 7.345 1.00 0.00 N ATOM 254 CA ASN A 15 -1.659 16.865 8.111 1.00 0.00 C ATOM 255 C ASN A 15 -2.389 15.534 7.926 1.00 0.00 C ATOM 256 O ASN A 15 -3.596 15.511 7.692 1.00 0.00 O ATOM 257 CB ASN A 15 -2.587 17.984 7.632 1.00 0.00 C ATOM 258 CG ASN A 15 -3.659 18.292 8.680 1.00 0.00 C ATOM 259 OD1 ASN A 15 -4.805 17.889 8.570 1.00 0.00 O ATOM 260 ND2 ASN A 15 -3.223 19.028 9.698 1.00 0.00 N ATOM 0 H ASN A 15 0.424 16.764 7.905 1.00 0.00 H new ATOM 0 HA ASN A 15 -1.404 17.030 9.158 1.00 0.00 H new ATOM 0 HB2 ASN A 15 -2.004 18.882 7.427 1.00 0.00 H new ATOM 0 HB3 ASN A 15 -3.062 17.692 6.695 1.00 0.00 H new ATOM 0 HD21 ASN A 15 -3.862 19.288 10.449 1.00 0.00 H new ATOM 0 HD22 ASN A 15 -2.250 19.332 9.728 1.00 0.00 H new ATOM 267 N ARG A 16 -1.625 14.456 8.038 1.00 0.00 N ATOM 268 CA ARG A 16 -2.184 13.124 7.886 1.00 0.00 C ATOM 269 C ARG A 16 -1.634 12.191 8.967 1.00 0.00 C ATOM 270 O ARG A 16 -0.947 12.636 9.885 1.00 0.00 O ATOM 271 CB ARG A 16 -1.859 12.544 6.508 1.00 0.00 C ATOM 272 CG ARG A 16 -0.359 12.277 6.366 1.00 0.00 C ATOM 273 CD ARG A 16 -0.059 11.505 5.079 1.00 0.00 C ATOM 274 NE ARG A 16 0.017 12.439 3.934 1.00 0.00 N ATOM 275 CZ ARG A 16 0.286 12.066 2.676 1.00 0.00 C ATOM 276 NH1 ARG A 16 0.508 10.775 2.394 1.00 0.00 N ATOM 277 NH2 ARG A 16 0.335 12.983 1.700 1.00 0.00 N ATOM 0 H ARG A 16 -0.624 14.479 8.232 1.00 0.00 H new ATOM 0 HA ARG A 16 -3.266 13.205 7.987 1.00 0.00 H new ATOM 0 HB2 ARG A 16 -2.413 11.617 6.360 1.00 0.00 H new ATOM 0 HB3 ARG A 16 -2.184 13.237 5.732 1.00 0.00 H new ATOM 0 HG2 ARG A 16 0.184 13.222 6.362 1.00 0.00 H new ATOM 0 HG3 ARG A 16 -0.004 11.709 7.226 1.00 0.00 H new ATOM 0 HD2 ARG A 16 0.882 10.964 5.181 1.00 0.00 H new ATOM 0 HD3 ARG A 16 -0.836 10.762 4.902 1.00 0.00 H new ATOM 0 HE ARG A 16 -0.146 13.430 4.114 1.00 0.00 H new ATOM 0 HH11 ARG A 16 0.472 10.077 3.137 1.00 0.00 H new ATOM 0 HH12 ARG A 16 0.713 10.490 1.436 1.00 0.00 H new ATOM 0 HH21 ARG A 16 0.167 13.966 1.915 1.00 0.00 H new ATOM 0 HH22 ARG A 16 0.540 12.698 0.742 1.00 0.00 H new ATOM 291 N ARG A 17 -1.958 10.915 8.823 1.00 0.00 N ATOM 292 CA ARG A 17 -1.505 9.915 9.776 1.00 0.00 C ATOM 293 C ARG A 17 -1.233 8.589 9.064 1.00 0.00 C ATOM 294 O ARG A 17 -2.134 8.007 8.462 1.00 0.00 O ATOM 295 CB ARG A 17 -2.545 9.692 10.876 1.00 0.00 C ATOM 296 CG ARG A 17 -1.894 9.723 12.260 1.00 0.00 C ATOM 297 CD ARG A 17 -2.434 8.598 13.145 1.00 0.00 C ATOM 298 NE ARG A 17 -3.071 9.168 14.354 1.00 0.00 N ATOM 299 CZ ARG A 17 -2.409 9.480 15.476 1.00 0.00 C ATOM 300 NH1 ARG A 17 -1.086 9.280 15.551 1.00 0.00 N ATOM 301 NH2 ARG A 17 -3.070 9.992 16.523 1.00 0.00 N ATOM 0 H ARG A 17 -2.529 10.550 8.061 1.00 0.00 H new ATOM 0 HA ARG A 17 -0.585 10.282 10.231 1.00 0.00 H new ATOM 0 HB2 ARG A 17 -3.315 10.461 10.815 1.00 0.00 H new ATOM 0 HB3 ARG A 17 -3.040 8.733 10.724 1.00 0.00 H new ATOM 0 HG2 ARG A 17 -0.813 9.625 12.160 1.00 0.00 H new ATOM 0 HG3 ARG A 17 -2.084 10.686 12.734 1.00 0.00 H new ATOM 0 HD2 ARG A 17 -3.158 8.002 12.589 1.00 0.00 H new ATOM 0 HD3 ARG A 17 -1.623 7.929 13.432 1.00 0.00 H new ATOM 0 HE ARG A 17 -4.077 9.334 14.331 1.00 0.00 H new ATOM 0 HH11 ARG A 17 -0.583 8.890 14.754 1.00 0.00 H new ATOM 0 HH12 ARG A 17 -0.582 9.518 16.405 1.00 0.00 H new ATOM 0 HH21 ARG A 17 -4.077 10.144 16.466 1.00 0.00 H new ATOM 0 HH22 ARG A 17 -2.566 10.230 17.377 1.00 0.00 H new ATOM 315 N GLU A 18 0.014 8.149 9.158 1.00 0.00 N ATOM 316 CA GLU A 18 0.416 6.901 8.531 1.00 0.00 C ATOM 317 C GLU A 18 0.259 5.738 9.513 1.00 0.00 C ATOM 318 O GLU A 18 0.941 5.688 10.535 1.00 0.00 O ATOM 319 CB GLU A 18 1.851 6.988 8.009 1.00 0.00 C ATOM 320 CG GLU A 18 2.043 8.229 7.135 1.00 0.00 C ATOM 321 CD GLU A 18 1.627 7.951 5.689 1.00 0.00 C ATOM 322 OE1 GLU A 18 2.102 6.930 5.148 1.00 0.00 O ATOM 323 OE2 GLU A 18 0.842 8.767 5.158 1.00 0.00 O ATOM 0 H GLU A 18 0.759 8.634 9.659 1.00 0.00 H new ATOM 0 HA GLU A 18 -0.236 6.719 7.677 1.00 0.00 H new ATOM 0 HB2 GLU A 18 2.546 7.019 8.848 1.00 0.00 H new ATOM 0 HB3 GLU A 18 2.087 6.093 7.433 1.00 0.00 H new ATOM 0 HG2 GLU A 18 1.454 9.054 7.534 1.00 0.00 H new ATOM 0 HG3 GLU A 18 3.087 8.540 7.163 1.00 0.00 H new ATOM 330 N LEU A 19 -0.645 4.832 9.168 1.00 0.00 N ATOM 331 CA LEU A 19 -0.900 3.674 10.006 1.00 0.00 C ATOM 332 C LEU A 19 -0.622 2.399 9.206 1.00 0.00 C ATOM 333 O LEU A 19 -1.043 2.280 8.056 1.00 0.00 O ATOM 334 CB LEU A 19 -2.312 3.736 10.591 1.00 0.00 C ATOM 335 CG LEU A 19 -2.763 5.103 11.110 1.00 0.00 C ATOM 336 CD1 LEU A 19 -3.959 5.626 10.310 1.00 0.00 C ATOM 337 CD2 LEU A 19 -3.056 5.052 12.610 1.00 0.00 C ATOM 0 H LEU A 19 -1.209 4.877 8.320 1.00 0.00 H new ATOM 0 HA LEU A 19 -0.225 3.668 10.862 1.00 0.00 H new ATOM 0 HB2 LEU A 19 -3.016 3.410 9.825 1.00 0.00 H new ATOM 0 HB3 LEU A 19 -2.377 3.019 11.410 1.00 0.00 H new ATOM 0 HG LEU A 19 -1.945 5.809 10.966 1.00 0.00 H new ATOM 0 HD11 LEU A 19 -4.260 6.599 10.699 1.00 0.00 H new ATOM 0 HD12 LEU A 19 -3.680 5.725 9.261 1.00 0.00 H new ATOM 0 HD13 LEU A 19 -4.790 4.927 10.399 1.00 0.00 H new ATOM 0 HD21 LEU A 19 -3.374 6.037 12.952 1.00 0.00 H new ATOM 0 HD22 LEU A 19 -3.848 4.328 12.802 1.00 0.00 H new ATOM 0 HD23 LEU A 19 -2.155 4.755 13.147 1.00 0.00 H new ATOM 349 N ASP A 20 0.085 1.480 9.846 1.00 0.00 N ATOM 350 CA ASP A 20 0.424 0.219 9.208 1.00 0.00 C ATOM 351 C ASP A 20 -0.199 -0.932 9.999 1.00 0.00 C ATOM 352 O ASP A 20 -0.197 -0.918 11.229 1.00 0.00 O ATOM 353 CB ASP A 20 1.939 0.006 9.179 1.00 0.00 C ATOM 354 CG ASP A 20 2.593 0.197 7.809 1.00 0.00 C ATOM 355 OD1 ASP A 20 1.831 0.249 6.819 1.00 0.00 O ATOM 356 OD2 ASP A 20 3.839 0.287 7.782 1.00 0.00 O ATOM 0 H ASP A 20 0.433 1.583 10.799 1.00 0.00 H new ATOM 0 HA ASP A 20 0.043 0.245 8.187 1.00 0.00 H new ATOM 0 HB2 ASP A 20 2.401 0.696 9.885 1.00 0.00 H new ATOM 0 HB3 ASP A 20 2.156 -1.003 9.531 1.00 0.00 H new ATOM 361 N PHE A 21 -0.719 -1.902 9.262 1.00 0.00 N ATOM 362 CA PHE A 21 -1.345 -3.059 9.879 1.00 0.00 C ATOM 363 C PHE A 21 -1.341 -4.258 8.929 1.00 0.00 C ATOM 364 O PHE A 21 -1.021 -4.118 7.749 1.00 0.00 O ATOM 365 CB PHE A 21 -2.793 -2.673 10.188 1.00 0.00 C ATOM 366 CG PHE A 21 -3.624 -2.334 8.948 1.00 0.00 C ATOM 367 CD1 PHE A 21 -3.506 -1.112 8.363 1.00 0.00 C ATOM 368 CD2 PHE A 21 -4.482 -3.255 8.432 1.00 0.00 C ATOM 369 CE1 PHE A 21 -4.277 -0.798 7.213 1.00 0.00 C ATOM 370 CE2 PHE A 21 -5.253 -2.941 7.282 1.00 0.00 C ATOM 371 CZ PHE A 21 -5.134 -1.719 6.697 1.00 0.00 C ATOM 0 H PHE A 21 -0.720 -1.911 8.242 1.00 0.00 H new ATOM 0 HA PHE A 21 -0.798 -3.341 10.779 1.00 0.00 H new ATOM 0 HB2 PHE A 21 -3.272 -3.495 10.720 1.00 0.00 H new ATOM 0 HB3 PHE A 21 -2.794 -1.815 10.860 1.00 0.00 H new ATOM 0 HD1 PHE A 21 -2.826 -0.380 8.773 1.00 0.00 H new ATOM 0 HD2 PHE A 21 -4.577 -4.225 8.897 1.00 0.00 H new ATOM 0 HE1 PHE A 21 -4.183 0.172 6.748 1.00 0.00 H new ATOM 0 HE2 PHE A 21 -5.934 -3.672 6.872 1.00 0.00 H new ATOM 0 HZ PHE A 21 -5.720 -1.480 5.822 1.00 0.00 H new ATOM 381 N ILE A 22 -1.700 -5.409 9.478 1.00 0.00 N ATOM 382 CA ILE A 22 -1.742 -6.631 8.693 1.00 0.00 C ATOM 383 C ILE A 22 -3.161 -7.203 8.723 1.00 0.00 C ATOM 384 O ILE A 22 -3.782 -7.277 9.782 1.00 0.00 O ATOM 385 CB ILE A 22 -0.673 -7.614 9.175 1.00 0.00 C ATOM 386 CG1 ILE A 22 0.719 -6.982 9.117 1.00 0.00 C ATOM 387 CG2 ILE A 22 -0.740 -8.925 8.390 1.00 0.00 C ATOM 388 CD1 ILE A 22 1.147 -6.731 7.670 1.00 0.00 C ATOM 0 H ILE A 22 -1.964 -5.521 10.457 1.00 0.00 H new ATOM 0 HA ILE A 22 -1.504 -6.422 7.650 1.00 0.00 H new ATOM 0 HB ILE A 22 -0.875 -7.853 10.219 1.00 0.00 H new ATOM 0 HG12 ILE A 22 0.719 -6.042 9.668 1.00 0.00 H new ATOM 0 HG13 ILE A 22 1.440 -7.637 9.605 1.00 0.00 H new ATOM 0 HG21 ILE A 22 0.030 -9.606 8.752 1.00 0.00 H new ATOM 0 HG22 ILE A 22 -1.721 -9.381 8.526 1.00 0.00 H new ATOM 0 HG23 ILE A 22 -0.577 -8.724 7.331 1.00 0.00 H new ATOM 0 HD11 ILE A 22 2.140 -6.281 7.657 1.00 0.00 H new ATOM 0 HD12 ILE A 22 1.170 -7.676 7.128 1.00 0.00 H new ATOM 0 HD13 ILE A 22 0.437 -6.056 7.192 1.00 0.00 H new ATOM 400 N VAL A 23 -3.632 -7.592 7.547 1.00 0.00 N ATOM 401 CA VAL A 23 -4.967 -8.155 7.425 1.00 0.00 C ATOM 402 C VAL A 23 -4.863 -9.675 7.284 1.00 0.00 C ATOM 403 O VAL A 23 -4.224 -10.174 6.359 1.00 0.00 O ATOM 404 CB VAL A 23 -5.708 -7.496 6.261 1.00 0.00 C ATOM 405 CG1 VAL A 23 -7.194 -7.861 6.279 1.00 0.00 C ATOM 406 CG2 VAL A 23 -5.516 -5.978 6.278 1.00 0.00 C ATOM 0 H VAL A 23 -3.114 -7.529 6.671 1.00 0.00 H new ATOM 0 HA VAL A 23 -5.552 -7.951 8.322 1.00 0.00 H new ATOM 0 HB VAL A 23 -5.281 -7.878 5.334 1.00 0.00 H new ATOM 0 HG11 VAL A 23 -7.697 -7.379 5.441 1.00 0.00 H new ATOM 0 HG12 VAL A 23 -7.304 -8.942 6.195 1.00 0.00 H new ATOM 0 HG13 VAL A 23 -7.641 -7.522 7.214 1.00 0.00 H new ATOM 0 HG21 VAL A 23 -6.053 -5.534 5.440 1.00 0.00 H new ATOM 0 HG22 VAL A 23 -5.903 -5.573 7.213 1.00 0.00 H new ATOM 0 HG23 VAL A 23 -4.455 -5.745 6.193 1.00 0.00 H new ATOM 416 N LYS A 24 -5.502 -10.368 8.216 1.00 0.00 N ATOM 417 CA LYS A 24 -5.490 -11.821 8.207 1.00 0.00 C ATOM 418 C LYS A 24 -6.920 -12.338 8.036 1.00 0.00 C ATOM 419 O LYS A 24 -7.875 -11.674 8.434 1.00 0.00 O ATOM 420 CB LYS A 24 -4.787 -12.359 9.455 1.00 0.00 C ATOM 421 CG LYS A 24 -3.279 -12.481 9.226 1.00 0.00 C ATOM 422 CD LYS A 24 -2.536 -12.664 10.551 1.00 0.00 C ATOM 423 CE LYS A 24 -1.098 -13.128 10.314 1.00 0.00 C ATOM 424 NZ LYS A 24 -0.947 -14.554 10.680 1.00 0.00 N ATOM 0 H LYS A 24 -6.031 -9.950 8.982 1.00 0.00 H new ATOM 0 HA LYS A 24 -4.913 -12.192 7.360 1.00 0.00 H new ATOM 0 HB2 LYS A 24 -4.978 -11.696 10.299 1.00 0.00 H new ATOM 0 HB3 LYS A 24 -5.199 -13.334 9.717 1.00 0.00 H new ATOM 0 HG2 LYS A 24 -3.074 -13.327 8.570 1.00 0.00 H new ATOM 0 HG3 LYS A 24 -2.911 -11.589 8.719 1.00 0.00 H new ATOM 0 HD2 LYS A 24 -2.532 -11.724 11.103 1.00 0.00 H new ATOM 0 HD3 LYS A 24 -3.060 -13.394 11.168 1.00 0.00 H new ATOM 0 HE2 LYS A 24 -0.831 -12.985 9.267 1.00 0.00 H new ATOM 0 HE3 LYS A 24 -0.412 -12.520 10.904 1.00 0.00 H new ATOM 0 HZ1 LYS A 24 0.035 -14.853 10.513 1.00 0.00 H new ATOM 0 HZ2 LYS A 24 -1.182 -14.681 11.685 1.00 0.00 H new ATOM 0 HZ3 LYS A 24 -1.588 -15.131 10.099 1.00 0.00 H new ATOM 438 N TYR A 25 -7.021 -13.518 7.442 1.00 0.00 N ATOM 439 CA TYR A 25 -8.319 -14.131 7.213 1.00 0.00 C ATOM 440 C TYR A 25 -8.174 -15.624 6.908 1.00 0.00 C ATOM 441 O TYR A 25 -7.062 -16.120 6.733 1.00 0.00 O ATOM 442 CB TYR A 25 -8.907 -13.428 5.988 1.00 0.00 C ATOM 443 CG TYR A 25 -7.936 -13.308 4.813 1.00 0.00 C ATOM 444 CD1 TYR A 25 -6.934 -12.359 4.839 1.00 0.00 C ATOM 445 CD2 TYR A 25 -8.061 -14.149 3.726 1.00 0.00 C ATOM 446 CE1 TYR A 25 -6.020 -12.246 3.733 1.00 0.00 C ATOM 447 CE2 TYR A 25 -7.146 -14.036 2.619 1.00 0.00 C ATOM 448 CZ TYR A 25 -6.171 -13.090 2.677 1.00 0.00 C ATOM 449 OH TYR A 25 -5.307 -12.984 1.632 1.00 0.00 O ATOM 0 H TYR A 25 -6.226 -14.066 7.113 1.00 0.00 H new ATOM 0 HA TYR A 25 -8.951 -14.032 8.096 1.00 0.00 H new ATOM 0 HB2 TYR A 25 -9.793 -13.972 5.660 1.00 0.00 H new ATOM 0 HB3 TYR A 25 -9.236 -12.430 6.278 1.00 0.00 H new ATOM 0 HD1 TYR A 25 -6.836 -11.701 5.690 1.00 0.00 H new ATOM 0 HD2 TYR A 25 -8.845 -14.892 3.705 1.00 0.00 H new ATOM 0 HE1 TYR A 25 -5.232 -11.508 3.741 1.00 0.00 H new ATOM 0 HE2 TYR A 25 -7.233 -14.688 1.762 1.00 0.00 H new ATOM 0 HH TYR A 25 -5.804 -12.760 0.818 1.00 0.00 H new ATOM 459 N GLU A 26 -9.313 -16.297 6.854 1.00 0.00 N ATOM 460 CA GLU A 26 -9.327 -17.723 6.574 1.00 0.00 C ATOM 461 C GLU A 26 -10.344 -18.038 5.475 1.00 0.00 C ATOM 462 O GLU A 26 -11.263 -18.829 5.683 1.00 0.00 O ATOM 463 CB GLU A 26 -9.622 -18.528 7.841 1.00 0.00 C ATOM 464 CG GLU A 26 -8.326 -18.991 8.510 1.00 0.00 C ATOM 465 CD GLU A 26 -7.979 -20.424 8.102 1.00 0.00 C ATOM 466 OE1 GLU A 26 -8.543 -21.345 8.731 1.00 0.00 O ATOM 467 OE2 GLU A 26 -7.159 -20.566 7.169 1.00 0.00 O ATOM 0 H GLU A 26 -10.233 -15.882 6.999 1.00 0.00 H new ATOM 0 HA GLU A 26 -8.338 -18.014 6.221 1.00 0.00 H new ATOM 0 HB2 GLU A 26 -10.198 -17.919 8.538 1.00 0.00 H new ATOM 0 HB3 GLU A 26 -10.236 -19.393 7.592 1.00 0.00 H new ATOM 0 HG2 GLU A 26 -7.511 -18.323 8.233 1.00 0.00 H new ATOM 0 HG3 GLU A 26 -8.431 -18.933 9.593 1.00 0.00 H new ATOM 474 N GLY A 27 -10.146 -17.403 4.329 1.00 0.00 N ATOM 475 CA GLY A 27 -11.034 -17.605 3.198 1.00 0.00 C ATOM 476 C GLY A 27 -11.002 -16.402 2.253 1.00 0.00 C ATOM 477 O GLY A 27 -9.947 -15.808 2.034 1.00 0.00 O ATOM 0 H GLY A 27 -9.383 -16.748 4.160 1.00 0.00 H new ATOM 0 HA2 GLY A 27 -10.741 -18.505 2.657 1.00 0.00 H new ATOM 0 HA3 GLY A 27 -12.052 -17.765 3.554 1.00 0.00 H new ATOM 481 N SER A 28 -12.171 -16.078 1.719 1.00 0.00 N ATOM 482 CA SER A 28 -12.289 -14.957 0.803 1.00 0.00 C ATOM 483 C SER A 28 -11.453 -13.779 1.306 1.00 0.00 C ATOM 484 O SER A 28 -11.427 -13.498 2.503 1.00 0.00 O ATOM 485 CB SER A 28 -13.751 -14.536 0.634 1.00 0.00 C ATOM 486 OG SER A 28 -14.646 -15.630 0.815 1.00 0.00 O ATOM 0 H SER A 28 -13.044 -16.572 1.903 1.00 0.00 H new ATOM 0 HA SER A 28 -11.914 -15.271 -0.171 1.00 0.00 H new ATOM 0 HB2 SER A 28 -13.988 -13.751 1.353 1.00 0.00 H new ATOM 0 HB3 SER A 28 -13.893 -14.112 -0.360 1.00 0.00 H new ATOM 0 HG SER A 28 -14.286 -16.424 0.368 1.00 0.00 H new ATOM 492 N THR A 29 -10.789 -13.122 0.367 1.00 0.00 N ATOM 493 CA THR A 29 -9.953 -11.981 0.700 1.00 0.00 C ATOM 494 C THR A 29 -10.819 -10.760 1.016 1.00 0.00 C ATOM 495 O THR A 29 -11.837 -10.530 0.364 1.00 0.00 O ATOM 496 CB THR A 29 -8.981 -11.752 -0.459 1.00 0.00 C ATOM 497 OG1 THR A 29 -7.766 -12.353 -0.017 1.00 0.00 O ATOM 498 CG2 THR A 29 -8.622 -10.276 -0.640 1.00 0.00 C ATOM 0 H THR A 29 -10.813 -13.358 -0.625 1.00 0.00 H new ATOM 0 HA THR A 29 -9.369 -12.169 1.601 1.00 0.00 H new ATOM 0 HB THR A 29 -9.419 -12.134 -1.381 1.00 0.00 H new ATOM 0 HG1 THR A 29 -7.940 -12.892 0.783 1.00 0.00 H new ATOM 0 HG21 THR A 29 -7.930 -10.170 -1.475 1.00 0.00 H new ATOM 0 HG22 THR A 29 -9.527 -9.704 -0.844 1.00 0.00 H new ATOM 0 HG23 THR A 29 -8.153 -9.901 0.270 1.00 0.00 H new ATOM 506 N PRO A 30 -10.372 -9.988 2.043 1.00 0.00 N ATOM 507 CA PRO A 30 -11.095 -8.796 2.453 1.00 0.00 C ATOM 508 C PRO A 30 -10.881 -7.655 1.457 1.00 0.00 C ATOM 509 O PRO A 30 -9.822 -7.556 0.839 1.00 0.00 O ATOM 510 CB PRO A 30 -10.570 -8.477 3.844 1.00 0.00 C ATOM 511 CG PRO A 30 -9.250 -9.220 3.971 1.00 0.00 C ATOM 512 CD PRO A 30 -9.171 -10.229 2.837 1.00 0.00 C ATOM 0 HA PRO A 30 -12.175 -8.945 2.473 1.00 0.00 H new ATOM 0 HB2 PRO A 30 -10.428 -7.404 3.971 1.00 0.00 H new ATOM 0 HB3 PRO A 30 -11.275 -8.799 4.611 1.00 0.00 H new ATOM 0 HG2 PRO A 30 -8.413 -8.523 3.921 1.00 0.00 H new ATOM 0 HG3 PRO A 30 -9.187 -9.724 4.935 1.00 0.00 H new ATOM 0 HD2 PRO A 30 -8.268 -10.087 2.243 1.00 0.00 H new ATOM 0 HD3 PRO A 30 -9.146 -11.250 3.217 1.00 0.00 H new ATOM 520 N SER A 31 -11.904 -6.822 1.332 1.00 0.00 N ATOM 521 CA SER A 31 -11.841 -5.692 0.421 1.00 0.00 C ATOM 522 C SER A 31 -11.288 -4.464 1.148 1.00 0.00 C ATOM 523 O SER A 31 -11.198 -4.453 2.375 1.00 0.00 O ATOM 524 CB SER A 31 -13.218 -5.383 -0.169 1.00 0.00 C ATOM 525 OG SER A 31 -13.783 -6.514 -0.827 1.00 0.00 O ATOM 0 H SER A 31 -12.781 -6.907 1.846 1.00 0.00 H new ATOM 0 HA SER A 31 -11.173 -5.952 -0.400 1.00 0.00 H new ATOM 0 HB2 SER A 31 -13.887 -5.054 0.626 1.00 0.00 H new ATOM 0 HB3 SER A 31 -13.133 -4.558 -0.876 1.00 0.00 H new ATOM 0 HG SER A 31 -14.662 -6.277 -1.189 1.00 0.00 H new ATOM 531 N ARG A 32 -10.932 -3.460 0.360 1.00 0.00 N ATOM 532 CA ARG A 32 -10.390 -2.231 0.913 1.00 0.00 C ATOM 533 C ARG A 32 -11.444 -1.523 1.767 1.00 0.00 C ATOM 534 O ARG A 32 -11.141 -1.031 2.853 1.00 0.00 O ATOM 535 CB ARG A 32 -9.924 -1.286 -0.196 1.00 0.00 C ATOM 536 CG ARG A 32 -8.545 -1.693 -0.720 1.00 0.00 C ATOM 537 CD ARG A 32 -8.506 -1.657 -2.249 1.00 0.00 C ATOM 538 NE ARG A 32 -7.130 -1.373 -2.714 1.00 0.00 N ATOM 539 CZ ARG A 32 -6.791 -1.201 -3.999 1.00 0.00 C ATOM 540 NH1 ARG A 32 -7.727 -1.285 -4.955 1.00 0.00 N ATOM 541 NH2 ARG A 32 -5.518 -0.947 -4.328 1.00 0.00 N ATOM 0 H ARG A 32 -11.008 -3.473 -0.657 1.00 0.00 H new ATOM 0 HA ARG A 32 -9.533 -2.496 1.532 1.00 0.00 H new ATOM 0 HB2 ARG A 32 -10.645 -1.295 -1.013 1.00 0.00 H new ATOM 0 HB3 ARG A 32 -9.886 -0.265 0.184 1.00 0.00 H new ATOM 0 HG2 ARG A 32 -7.787 -1.021 -0.318 1.00 0.00 H new ATOM 0 HG3 ARG A 32 -8.301 -2.696 -0.370 1.00 0.00 H new ATOM 0 HD2 ARG A 32 -8.845 -2.611 -2.652 1.00 0.00 H new ATOM 0 HD3 ARG A 32 -9.189 -0.893 -2.620 1.00 0.00 H new ATOM 0 HE ARG A 32 -6.393 -1.304 -2.012 1.00 0.00 H new ATOM 0 HH11 ARG A 32 -8.696 -1.480 -4.704 1.00 0.00 H new ATOM 0 HH12 ARG A 32 -7.470 -1.154 -5.933 1.00 0.00 H new ATOM 0 HH21 ARG A 32 -4.806 -0.884 -3.600 1.00 0.00 H new ATOM 0 HH22 ARG A 32 -5.260 -0.816 -5.306 1.00 0.00 H new ATOM 555 N ASN A 33 -12.661 -1.494 1.244 1.00 0.00 N ATOM 556 CA ASN A 33 -13.762 -0.855 1.944 1.00 0.00 C ATOM 557 C ASN A 33 -14.079 -1.645 3.215 1.00 0.00 C ATOM 558 O ASN A 33 -14.606 -1.091 4.179 1.00 0.00 O ATOM 559 CB ASN A 33 -15.023 -0.825 1.078 1.00 0.00 C ATOM 560 CG ASN A 33 -15.392 -2.231 0.600 1.00 0.00 C ATOM 561 OD1 ASN A 33 -15.577 -3.151 1.380 1.00 0.00 O ATOM 562 ND2 ASN A 33 -15.490 -2.345 -0.721 1.00 0.00 N ATOM 0 H ASN A 33 -12.909 -1.903 0.343 1.00 0.00 H new ATOM 0 HA ASN A 33 -13.464 0.166 2.181 1.00 0.00 H new ATOM 0 HB2 ASN A 33 -15.850 -0.402 1.648 1.00 0.00 H new ATOM 0 HB3 ASN A 33 -14.863 -0.175 0.218 1.00 0.00 H new ATOM 0 HD21 ASN A 33 -15.733 -3.243 -1.139 1.00 0.00 H new ATOM 0 HD22 ASN A 33 -15.322 -1.534 -1.317 1.00 0.00 H new ATOM 569 N ASP A 34 -13.746 -2.926 3.176 1.00 0.00 N ATOM 570 CA ASP A 34 -13.989 -3.798 4.313 1.00 0.00 C ATOM 571 C ASP A 34 -12.946 -3.518 5.397 1.00 0.00 C ATOM 572 O ASP A 34 -13.287 -3.384 6.571 1.00 0.00 O ATOM 573 CB ASP A 34 -13.871 -5.270 3.913 1.00 0.00 C ATOM 574 CG ASP A 34 -15.187 -5.937 3.506 1.00 0.00 C ATOM 575 OD1 ASP A 34 -16.114 -5.184 3.137 1.00 0.00 O ATOM 576 OD2 ASP A 34 -15.235 -7.184 3.572 1.00 0.00 O ATOM 0 H ASP A 34 -13.310 -3.382 2.375 1.00 0.00 H new ATOM 0 HA ASP A 34 -14.997 -3.603 4.678 1.00 0.00 H new ATOM 0 HB2 ASP A 34 -13.169 -5.350 3.083 1.00 0.00 H new ATOM 0 HB3 ASP A 34 -13.443 -5.825 4.748 1.00 0.00 H new ATOM 581 N VAL A 35 -11.697 -3.437 4.964 1.00 0.00 N ATOM 582 CA VAL A 35 -10.602 -3.176 5.884 1.00 0.00 C ATOM 583 C VAL A 35 -10.711 -1.741 6.404 1.00 0.00 C ATOM 584 O VAL A 35 -10.500 -1.489 7.589 1.00 0.00 O ATOM 585 CB VAL A 35 -9.264 -3.464 5.200 1.00 0.00 C ATOM 586 CG1 VAL A 35 -8.094 -2.974 6.055 1.00 0.00 C ATOM 587 CG2 VAL A 35 -9.122 -4.953 4.878 1.00 0.00 C ATOM 0 H VAL A 35 -11.418 -3.547 3.989 1.00 0.00 H new ATOM 0 HA VAL A 35 -10.660 -3.840 6.746 1.00 0.00 H new ATOM 0 HB VAL A 35 -9.244 -2.914 4.259 1.00 0.00 H new ATOM 0 HG11 VAL A 35 -7.155 -3.191 5.546 1.00 0.00 H new ATOM 0 HG12 VAL A 35 -8.182 -1.899 6.211 1.00 0.00 H new ATOM 0 HG13 VAL A 35 -8.110 -3.482 7.019 1.00 0.00 H new ATOM 0 HG21 VAL A 35 -8.162 -5.130 4.392 1.00 0.00 H new ATOM 0 HG22 VAL A 35 -9.174 -5.531 5.800 1.00 0.00 H new ATOM 0 HG23 VAL A 35 -9.928 -5.260 4.211 1.00 0.00 H new ATOM 597 N ARG A 36 -11.039 -0.838 5.491 1.00 0.00 N ATOM 598 CA ARG A 36 -11.179 0.565 5.843 1.00 0.00 C ATOM 599 C ARG A 36 -12.227 0.734 6.945 1.00 0.00 C ATOM 600 O ARG A 36 -11.951 1.333 7.983 1.00 0.00 O ATOM 601 CB ARG A 36 -11.586 1.400 4.628 1.00 0.00 C ATOM 602 CG ARG A 36 -10.375 2.108 4.018 1.00 0.00 C ATOM 603 CD ARG A 36 -10.802 3.355 3.241 1.00 0.00 C ATOM 604 NE ARG A 36 -10.102 3.404 1.938 1.00 0.00 N ATOM 605 CZ ARG A 36 -10.518 2.763 0.837 1.00 0.00 C ATOM 606 NH1 ARG A 36 -11.632 2.019 0.876 1.00 0.00 N ATOM 607 NH2 ARG A 36 -9.819 2.865 -0.301 1.00 0.00 N ATOM 0 H ARG A 36 -11.212 -1.051 4.508 1.00 0.00 H new ATOM 0 HA ARG A 36 -10.211 0.915 6.201 1.00 0.00 H new ATOM 0 HB2 ARG A 36 -12.051 0.758 3.880 1.00 0.00 H new ATOM 0 HB3 ARG A 36 -12.332 2.138 4.923 1.00 0.00 H new ATOM 0 HG2 ARG A 36 -9.678 2.388 4.807 1.00 0.00 H new ATOM 0 HG3 ARG A 36 -9.846 1.425 3.354 1.00 0.00 H new ATOM 0 HD2 ARG A 36 -11.881 3.344 3.084 1.00 0.00 H new ATOM 0 HD3 ARG A 36 -10.574 4.250 3.820 1.00 0.00 H new ATOM 0 HE ARG A 36 -9.250 3.960 1.874 1.00 0.00 H new ATOM 0 HH11 ARG A 36 -12.163 1.941 1.743 1.00 0.00 H new ATOM 0 HH12 ARG A 36 -11.949 1.531 0.038 1.00 0.00 H new ATOM 0 HH21 ARG A 36 -8.970 3.430 -0.329 1.00 0.00 H new ATOM 0 HH22 ARG A 36 -10.135 2.377 -1.139 1.00 0.00 H new ATOM 621 N ASN A 37 -13.409 0.197 6.680 1.00 0.00 N ATOM 622 CA ASN A 37 -14.500 0.281 7.636 1.00 0.00 C ATOM 623 C ASN A 37 -14.054 -0.327 8.968 1.00 0.00 C ATOM 624 O ASN A 37 -14.395 0.185 10.033 1.00 0.00 O ATOM 625 CB ASN A 37 -15.722 -0.498 7.147 1.00 0.00 C ATOM 626 CG ASN A 37 -16.792 0.448 6.598 1.00 0.00 C ATOM 627 OD1 ASN A 37 -17.174 1.424 7.223 1.00 0.00 O ATOM 628 ND2 ASN A 37 -17.253 0.106 5.399 1.00 0.00 N ATOM 0 H ASN A 37 -13.635 -0.298 5.817 1.00 0.00 H new ATOM 0 HA ASN A 37 -14.765 1.332 7.753 1.00 0.00 H new ATOM 0 HB2 ASN A 37 -15.422 -1.203 6.371 1.00 0.00 H new ATOM 0 HB3 ASN A 37 -16.136 -1.084 7.967 1.00 0.00 H new ATOM 0 HD21 ASN A 37 -17.970 0.674 4.947 1.00 0.00 H new ATOM 0 HD22 ASN A 37 -16.890 -0.724 4.931 1.00 0.00 H new ATOM 635 N LYS A 38 -13.299 -1.410 8.864 1.00 0.00 N ATOM 636 CA LYS A 38 -12.802 -2.093 10.046 1.00 0.00 C ATOM 637 C LYS A 38 -11.867 -1.158 10.815 1.00 0.00 C ATOM 638 O LYS A 38 -12.051 -0.936 12.011 1.00 0.00 O ATOM 639 CB LYS A 38 -12.159 -3.428 9.664 1.00 0.00 C ATOM 640 CG LYS A 38 -12.222 -4.419 10.828 1.00 0.00 C ATOM 641 CD LYS A 38 -12.308 -5.859 10.318 1.00 0.00 C ATOM 642 CE LYS A 38 -12.527 -6.838 11.473 1.00 0.00 C ATOM 643 NZ LYS A 38 -13.870 -7.452 11.385 1.00 0.00 N ATOM 0 H LYS A 38 -13.019 -1.832 7.979 1.00 0.00 H new ATOM 0 HA LYS A 38 -13.625 -2.343 10.715 1.00 0.00 H new ATOM 0 HB2 LYS A 38 -12.670 -3.847 8.797 1.00 0.00 H new ATOM 0 HB3 LYS A 38 -11.121 -3.266 9.375 1.00 0.00 H new ATOM 0 HG2 LYS A 38 -11.339 -4.304 11.456 1.00 0.00 H new ATOM 0 HG3 LYS A 38 -13.088 -4.198 11.452 1.00 0.00 H new ATOM 0 HD2 LYS A 38 -13.125 -5.947 9.602 1.00 0.00 H new ATOM 0 HD3 LYS A 38 -11.391 -6.116 9.788 1.00 0.00 H new ATOM 0 HE2 LYS A 38 -11.763 -7.615 11.448 1.00 0.00 H new ATOM 0 HE3 LYS A 38 -12.421 -6.317 12.424 1.00 0.00 H new ATOM 0 HZ1 LYS A 38 -14.002 -8.114 12.177 1.00 0.00 H new ATOM 0 HZ2 LYS A 38 -14.595 -6.708 11.431 1.00 0.00 H new ATOM 0 HZ3 LYS A 38 -13.958 -7.966 10.485 1.00 0.00 H new ATOM 657 N LEU A 39 -10.884 -0.634 10.097 1.00 0.00 N ATOM 658 CA LEU A 39 -9.920 0.272 10.697 1.00 0.00 C ATOM 659 C LEU A 39 -10.652 1.500 11.243 1.00 0.00 C ATOM 660 O LEU A 39 -10.505 1.845 12.414 1.00 0.00 O ATOM 661 CB LEU A 39 -8.810 0.610 9.700 1.00 0.00 C ATOM 662 CG LEU A 39 -7.377 0.414 10.199 1.00 0.00 C ATOM 663 CD1 LEU A 39 -6.828 -0.947 9.769 1.00 0.00 C ATOM 664 CD2 LEU A 39 -6.476 1.565 9.746 1.00 0.00 C ATOM 0 H LEU A 39 -10.735 -0.820 9.105 1.00 0.00 H new ATOM 0 HA LEU A 39 -9.423 -0.205 11.542 1.00 0.00 H new ATOM 0 HB2 LEU A 39 -8.950 -0.002 8.809 1.00 0.00 H new ATOM 0 HB3 LEU A 39 -8.928 1.649 9.394 1.00 0.00 H new ATOM 0 HG LEU A 39 -7.390 0.426 11.289 1.00 0.00 H new ATOM 0 HD11 LEU A 39 -5.808 -1.061 10.137 1.00 0.00 H new ATOM 0 HD12 LEU A 39 -7.453 -1.739 10.182 1.00 0.00 H new ATOM 0 HD13 LEU A 39 -6.831 -1.013 8.681 1.00 0.00 H new ATOM 0 HD21 LEU A 39 -5.463 1.401 10.114 1.00 0.00 H new ATOM 0 HD22 LEU A 39 -6.463 1.610 8.657 1.00 0.00 H new ATOM 0 HD23 LEU A 39 -6.859 2.505 10.144 1.00 0.00 H new ATOM 676 N ALA A 40 -11.424 2.127 10.367 1.00 0.00 N ATOM 677 CA ALA A 40 -12.179 3.309 10.747 1.00 0.00 C ATOM 678 C ALA A 40 -12.906 3.043 12.066 1.00 0.00 C ATOM 679 O ALA A 40 -13.047 3.942 12.894 1.00 0.00 O ATOM 680 CB ALA A 40 -13.140 3.685 9.617 1.00 0.00 C ATOM 0 H ALA A 40 -11.543 1.839 9.396 1.00 0.00 H new ATOM 0 HA ALA A 40 -11.512 4.157 10.904 1.00 0.00 H new ATOM 0 HB1 ALA A 40 -13.707 4.572 9.901 1.00 0.00 H new ATOM 0 HB2 ALA A 40 -12.572 3.893 8.710 1.00 0.00 H new ATOM 0 HB3 ALA A 40 -13.827 2.859 9.433 1.00 0.00 H new ATOM 686 N ALA A 41 -13.348 1.804 12.222 1.00 0.00 N ATOM 687 CA ALA A 41 -14.057 1.408 13.427 1.00 0.00 C ATOM 688 C ALA A 41 -13.055 1.245 14.572 1.00 0.00 C ATOM 689 O ALA A 41 -13.360 1.569 15.719 1.00 0.00 O ATOM 690 CB ALA A 41 -14.848 0.126 13.157 1.00 0.00 C ATOM 0 H ALA A 41 -13.229 1.061 11.534 1.00 0.00 H new ATOM 0 HA ALA A 41 -14.772 2.176 13.721 1.00 0.00 H new ATOM 0 HB1 ALA A 41 -15.380 -0.171 14.061 1.00 0.00 H new ATOM 0 HB2 ALA A 41 -15.565 0.303 12.356 1.00 0.00 H new ATOM 0 HB3 ALA A 41 -14.163 -0.669 12.862 1.00 0.00 H new ATOM 696 N MET A 42 -11.880 0.743 14.222 1.00 0.00 N ATOM 697 CA MET A 42 -10.832 0.533 15.206 1.00 0.00 C ATOM 698 C MET A 42 -10.298 1.867 15.731 1.00 0.00 C ATOM 699 O MET A 42 -10.133 2.042 16.937 1.00 0.00 O ATOM 700 CB MET A 42 -9.688 -0.261 14.572 1.00 0.00 C ATOM 701 CG MET A 42 -10.078 -1.729 14.385 1.00 0.00 C ATOM 702 SD MET A 42 -8.969 -2.512 13.227 1.00 0.00 S ATOM 703 CE MET A 42 -7.455 -2.472 14.171 1.00 0.00 C ATOM 0 H MET A 42 -11.630 0.475 13.270 1.00 0.00 H new ATOM 0 HA MET A 42 -11.252 -0.024 16.044 1.00 0.00 H new ATOM 0 HB2 MET A 42 -9.428 0.176 13.608 1.00 0.00 H new ATOM 0 HB3 MET A 42 -8.801 -0.194 15.202 1.00 0.00 H new ATOM 0 HG2 MET A 42 -10.043 -2.248 15.343 1.00 0.00 H new ATOM 0 HG3 MET A 42 -11.104 -1.798 14.023 1.00 0.00 H new ATOM 0 HE1 MET A 42 -6.905 -3.400 14.016 1.00 0.00 H new ATOM 0 HE2 MET A 42 -6.845 -1.630 13.845 1.00 0.00 H new ATOM 0 HE3 MET A 42 -7.689 -2.361 15.230 1.00 0.00 H new ATOM 713 N LEU A 43 -10.042 2.774 14.799 1.00 0.00 N ATOM 714 CA LEU A 43 -9.530 4.087 15.153 1.00 0.00 C ATOM 715 C LEU A 43 -10.700 5.058 15.318 1.00 0.00 C ATOM 716 O LEU A 43 -10.495 6.260 15.479 1.00 0.00 O ATOM 717 CB LEU A 43 -8.487 4.548 14.133 1.00 0.00 C ATOM 718 CG LEU A 43 -7.919 3.462 13.217 1.00 0.00 C ATOM 719 CD1 LEU A 43 -6.870 4.040 12.265 1.00 0.00 C ATOM 720 CD2 LEU A 43 -7.369 2.289 14.031 1.00 0.00 C ATOM 0 H LEU A 43 -10.180 2.625 13.799 1.00 0.00 H new ATOM 0 HA LEU A 43 -9.010 4.048 16.110 1.00 0.00 H new ATOM 0 HB2 LEU A 43 -8.934 5.323 13.511 1.00 0.00 H new ATOM 0 HB3 LEU A 43 -7.660 5.010 14.672 1.00 0.00 H new ATOM 0 HG LEU A 43 -8.732 3.075 12.603 1.00 0.00 H new ATOM 0 HD11 LEU A 43 -6.483 3.247 11.625 1.00 0.00 H new ATOM 0 HD12 LEU A 43 -7.326 4.814 11.648 1.00 0.00 H new ATOM 0 HD13 LEU A 43 -6.053 4.472 12.843 1.00 0.00 H new ATOM 0 HD21 LEU A 43 -6.972 1.532 13.355 1.00 0.00 H new ATOM 0 HD22 LEU A 43 -6.574 2.643 14.687 1.00 0.00 H new ATOM 0 HD23 LEU A 43 -8.169 1.856 14.631 1.00 0.00 H new ATOM 732 N ASN A 44 -11.901 4.501 15.272 1.00 0.00 N ATOM 733 CA ASN A 44 -13.104 5.304 15.414 1.00 0.00 C ATOM 734 C ASN A 44 -12.945 6.600 14.617 1.00 0.00 C ATOM 735 O ASN A 44 -13.394 7.659 15.052 1.00 0.00 O ATOM 736 CB ASN A 44 -13.348 5.676 16.878 1.00 0.00 C ATOM 737 CG ASN A 44 -12.050 6.122 17.554 1.00 0.00 C ATOM 738 OD1 ASN A 44 -11.742 7.299 17.649 1.00 0.00 O ATOM 739 ND2 ASN A 44 -11.308 5.119 18.016 1.00 0.00 N ATOM 0 H ASN A 44 -12.067 3.504 15.138 1.00 0.00 H new ATOM 0 HA ASN A 44 -13.946 4.718 15.045 1.00 0.00 H new ATOM 0 HB2 ASN A 44 -14.086 6.476 16.935 1.00 0.00 H new ATOM 0 HB3 ASN A 44 -13.764 4.820 17.410 1.00 0.00 H new ATOM 0 HD21 ASN A 44 -10.422 5.313 18.483 1.00 0.00 H new ATOM 0 HD22 ASN A 44 -11.625 4.156 17.903 1.00 0.00 H new ATOM 746 N ALA A 45 -12.305 6.473 13.464 1.00 0.00 N ATOM 747 CA ALA A 45 -12.081 7.621 12.602 1.00 0.00 C ATOM 748 C ALA A 45 -13.006 7.529 11.387 1.00 0.00 C ATOM 749 O ALA A 45 -13.568 6.471 11.108 1.00 0.00 O ATOM 750 CB ALA A 45 -10.604 7.683 12.207 1.00 0.00 C ATOM 0 H ALA A 45 -11.934 5.592 13.107 1.00 0.00 H new ATOM 0 HA ALA A 45 -12.317 8.547 13.127 1.00 0.00 H new ATOM 0 HB1 ALA A 45 -10.436 8.544 11.560 1.00 0.00 H new ATOM 0 HB2 ALA A 45 -9.991 7.777 13.104 1.00 0.00 H new ATOM 0 HB3 ALA A 45 -10.331 6.771 11.675 1.00 0.00 H new ATOM 756 N PRO A 46 -13.138 8.682 10.677 1.00 0.00 N ATOM 757 CA PRO A 46 -13.985 8.742 9.498 1.00 0.00 C ATOM 758 C PRO A 46 -13.320 8.046 8.309 1.00 0.00 C ATOM 759 O PRO A 46 -12.104 8.120 8.143 1.00 0.00 O ATOM 760 CB PRO A 46 -14.225 10.224 9.261 1.00 0.00 C ATOM 761 CG PRO A 46 -13.133 10.951 10.028 1.00 0.00 C ATOM 762 CD PRO A 46 -12.488 9.954 10.977 1.00 0.00 C ATOM 0 HA PRO A 46 -14.930 8.216 9.632 1.00 0.00 H new ATOM 0 HB2 PRO A 46 -14.180 10.462 8.198 1.00 0.00 H new ATOM 0 HB3 PRO A 46 -15.213 10.521 9.613 1.00 0.00 H new ATOM 0 HG2 PRO A 46 -12.391 11.359 9.341 1.00 0.00 H new ATOM 0 HG3 PRO A 46 -13.551 11.791 10.583 1.00 0.00 H new ATOM 0 HD2 PRO A 46 -11.411 9.896 10.818 1.00 0.00 H new ATOM 0 HD3 PRO A 46 -12.641 10.241 12.017 1.00 0.00 H new ATOM 770 N LEU A 47 -14.148 7.385 7.512 1.00 0.00 N ATOM 771 CA LEU A 47 -13.655 6.676 6.344 1.00 0.00 C ATOM 772 C LEU A 47 -13.160 7.689 5.309 1.00 0.00 C ATOM 773 O LEU A 47 -12.047 7.567 4.799 1.00 0.00 O ATOM 774 CB LEU A 47 -14.723 5.721 5.807 1.00 0.00 C ATOM 775 CG LEU A 47 -14.222 4.358 5.325 1.00 0.00 C ATOM 776 CD1 LEU A 47 -14.514 3.269 6.359 1.00 0.00 C ATOM 777 CD2 LEU A 47 -14.803 4.015 3.951 1.00 0.00 C ATOM 0 H LEU A 47 -15.157 7.326 7.653 1.00 0.00 H new ATOM 0 HA LEU A 47 -12.804 6.049 6.610 1.00 0.00 H new ATOM 0 HB2 LEU A 47 -15.463 5.558 6.590 1.00 0.00 H new ATOM 0 HB3 LEU A 47 -15.237 6.210 4.980 1.00 0.00 H new ATOM 0 HG LEU A 47 -13.139 4.412 5.212 1.00 0.00 H new ATOM 0 HD11 LEU A 47 -14.148 2.311 5.991 1.00 0.00 H new ATOM 0 HD12 LEU A 47 -14.014 3.513 7.296 1.00 0.00 H new ATOM 0 HD13 LEU A 47 -15.589 3.206 6.527 1.00 0.00 H new ATOM 0 HD21 LEU A 47 -14.431 3.041 3.631 1.00 0.00 H new ATOM 0 HD22 LEU A 47 -15.891 3.985 4.013 1.00 0.00 H new ATOM 0 HD23 LEU A 47 -14.501 4.774 3.229 1.00 0.00 H new ATOM 789 N GLU A 48 -14.011 8.666 5.031 1.00 0.00 N ATOM 790 CA GLU A 48 -13.674 9.699 4.066 1.00 0.00 C ATOM 791 C GLU A 48 -12.249 10.204 4.305 1.00 0.00 C ATOM 792 O GLU A 48 -11.524 10.498 3.356 1.00 0.00 O ATOM 793 CB GLU A 48 -14.679 10.851 4.123 1.00 0.00 C ATOM 794 CG GLU A 48 -15.071 11.166 5.568 1.00 0.00 C ATOM 795 CD GLU A 48 -16.521 10.761 5.844 1.00 0.00 C ATOM 796 OE1 GLU A 48 -16.825 9.567 5.637 1.00 0.00 O ATOM 797 OE2 GLU A 48 -17.291 11.655 6.255 1.00 0.00 O ATOM 0 H GLU A 48 -14.933 8.764 5.457 1.00 0.00 H new ATOM 0 HA GLU A 48 -13.723 9.265 3.067 1.00 0.00 H new ATOM 0 HB2 GLU A 48 -14.248 11.738 3.658 1.00 0.00 H new ATOM 0 HB3 GLU A 48 -15.569 10.591 3.550 1.00 0.00 H new ATOM 0 HG2 GLU A 48 -14.406 10.639 6.252 1.00 0.00 H new ATOM 0 HG3 GLU A 48 -14.945 12.232 5.759 1.00 0.00 H new ATOM 804 N LEU A 49 -11.890 10.287 5.577 1.00 0.00 N ATOM 805 CA LEU A 49 -10.565 10.751 5.953 1.00 0.00 C ATOM 806 C LEU A 49 -9.580 9.582 5.877 1.00 0.00 C ATOM 807 O LEU A 49 -8.394 9.781 5.622 1.00 0.00 O ATOM 808 CB LEU A 49 -10.604 11.434 7.321 1.00 0.00 C ATOM 809 CG LEU A 49 -11.550 12.630 7.447 1.00 0.00 C ATOM 810 CD1 LEU A 49 -11.320 13.375 8.763 1.00 0.00 C ATOM 811 CD2 LEU A 49 -11.427 13.556 6.235 1.00 0.00 C ATOM 0 H LEU A 49 -12.494 10.041 6.361 1.00 0.00 H new ATOM 0 HA LEU A 49 -10.215 11.510 5.254 1.00 0.00 H new ATOM 0 HB2 LEU A 49 -10.887 10.692 8.068 1.00 0.00 H new ATOM 0 HB3 LEU A 49 -9.596 11.766 7.568 1.00 0.00 H new ATOM 0 HG LEU A 49 -12.574 12.256 7.464 1.00 0.00 H new ATOM 0 HD11 LEU A 49 -12.005 14.220 8.827 1.00 0.00 H new ATOM 0 HD12 LEU A 49 -11.498 12.699 9.600 1.00 0.00 H new ATOM 0 HD13 LEU A 49 -10.293 13.737 8.801 1.00 0.00 H new ATOM 0 HD21 LEU A 49 -12.110 14.398 6.350 1.00 0.00 H new ATOM 0 HD22 LEU A 49 -10.404 13.926 6.162 1.00 0.00 H new ATOM 0 HD23 LEU A 49 -11.679 13.005 5.329 1.00 0.00 H new ATOM 823 N LEU A 50 -10.109 8.389 6.103 1.00 0.00 N ATOM 824 CA LEU A 50 -9.292 7.188 6.063 1.00 0.00 C ATOM 825 C LEU A 50 -9.131 6.733 4.611 1.00 0.00 C ATOM 826 O LEU A 50 -10.120 6.532 3.907 1.00 0.00 O ATOM 827 CB LEU A 50 -9.873 6.113 6.984 1.00 0.00 C ATOM 828 CG LEU A 50 -8.900 5.492 7.988 1.00 0.00 C ATOM 829 CD1 LEU A 50 -9.451 5.582 9.412 1.00 0.00 C ATOM 830 CD2 LEU A 50 -8.552 4.055 7.597 1.00 0.00 C ATOM 0 H LEU A 50 -11.094 8.228 6.315 1.00 0.00 H new ATOM 0 HA LEU A 50 -8.292 7.395 6.445 1.00 0.00 H new ATOM 0 HB2 LEU A 50 -10.706 6.548 7.537 1.00 0.00 H new ATOM 0 HB3 LEU A 50 -10.283 5.315 6.365 1.00 0.00 H new ATOM 0 HG LEU A 50 -7.973 6.065 7.965 1.00 0.00 H new ATOM 0 HD11 LEU A 50 -8.740 5.134 10.106 1.00 0.00 H new ATOM 0 HD12 LEU A 50 -9.606 6.628 9.677 1.00 0.00 H new ATOM 0 HD13 LEU A 50 -10.400 5.049 9.469 1.00 0.00 H new ATOM 0 HD21 LEU A 50 -7.859 3.637 8.327 1.00 0.00 H new ATOM 0 HD22 LEU A 50 -9.461 3.454 7.574 1.00 0.00 H new ATOM 0 HD23 LEU A 50 -8.088 4.049 6.611 1.00 0.00 H new ATOM 842 N VAL A 51 -7.879 6.584 4.206 1.00 0.00 N ATOM 843 CA VAL A 51 -7.576 6.157 2.851 1.00 0.00 C ATOM 844 C VAL A 51 -6.587 4.990 2.897 1.00 0.00 C ATOM 845 O VAL A 51 -5.924 4.774 3.910 1.00 0.00 O ATOM 846 CB VAL A 51 -7.064 7.342 2.030 1.00 0.00 C ATOM 847 CG1 VAL A 51 -7.136 7.044 0.531 1.00 0.00 C ATOM 848 CG2 VAL A 51 -7.833 8.620 2.373 1.00 0.00 C ATOM 0 H VAL A 51 -7.062 6.752 4.793 1.00 0.00 H new ATOM 0 HA VAL A 51 -8.478 5.800 2.353 1.00 0.00 H new ATOM 0 HB VAL A 51 -6.017 7.501 2.289 1.00 0.00 H new ATOM 0 HG11 VAL A 51 -6.766 7.903 -0.029 1.00 0.00 H new ATOM 0 HG12 VAL A 51 -6.523 6.172 0.304 1.00 0.00 H new ATOM 0 HG13 VAL A 51 -8.170 6.845 0.249 1.00 0.00 H new ATOM 0 HG21 VAL A 51 -7.449 9.447 1.776 1.00 0.00 H new ATOM 0 HG22 VAL A 51 -8.892 8.477 2.157 1.00 0.00 H new ATOM 0 HG23 VAL A 51 -7.706 8.848 3.431 1.00 0.00 H new ATOM 858 N ILE A 52 -6.520 4.268 1.788 1.00 0.00 N ATOM 859 CA ILE A 52 -5.624 3.129 1.690 1.00 0.00 C ATOM 860 C ILE A 52 -4.616 3.375 0.565 1.00 0.00 C ATOM 861 O ILE A 52 -4.998 3.727 -0.550 1.00 0.00 O ATOM 862 CB ILE A 52 -6.420 1.833 1.529 1.00 0.00 C ATOM 863 CG1 ILE A 52 -7.502 1.717 2.606 1.00 0.00 C ATOM 864 CG2 ILE A 52 -5.492 0.617 1.516 1.00 0.00 C ATOM 865 CD1 ILE A 52 -6.886 1.396 3.969 1.00 0.00 C ATOM 0 H ILE A 52 -7.072 4.450 0.950 1.00 0.00 H new ATOM 0 HA ILE A 52 -5.053 3.013 2.611 1.00 0.00 H new ATOM 0 HB ILE A 52 -6.927 1.861 0.564 1.00 0.00 H new ATOM 0 HG12 ILE A 52 -8.062 2.650 2.666 1.00 0.00 H new ATOM 0 HG13 ILE A 52 -8.212 0.937 2.331 1.00 0.00 H new ATOM 0 HG21 ILE A 52 -6.084 -0.291 1.400 1.00 0.00 H new ATOM 0 HG22 ILE A 52 -4.792 0.702 0.685 1.00 0.00 H new ATOM 0 HG23 ILE A 52 -4.938 0.572 2.454 1.00 0.00 H new ATOM 0 HD11 ILE A 52 -7.676 1.319 4.716 1.00 0.00 H new ATOM 0 HD12 ILE A 52 -6.348 0.450 3.911 1.00 0.00 H new ATOM 0 HD13 ILE A 52 -6.195 2.190 4.252 1.00 0.00 H new ATOM 877 N GLN A 53 -3.348 3.179 0.896 1.00 0.00 N ATOM 878 CA GLN A 53 -2.283 3.374 -0.072 1.00 0.00 C ATOM 879 C GLN A 53 -2.293 2.248 -1.107 1.00 0.00 C ATOM 880 O GLN A 53 -2.496 2.494 -2.295 1.00 0.00 O ATOM 881 CB GLN A 53 -0.922 3.469 0.622 1.00 0.00 C ATOM 882 CG GLN A 53 0.216 3.469 -0.401 1.00 0.00 C ATOM 883 CD GLN A 53 1.572 3.299 0.288 1.00 0.00 C ATOM 884 OE1 GLN A 53 2.221 2.271 0.192 1.00 0.00 O ATOM 885 NE2 GLN A 53 1.961 4.363 0.985 1.00 0.00 N ATOM 0 H GLN A 53 -3.035 2.887 1.822 1.00 0.00 H new ATOM 0 HA GLN A 53 -2.457 4.318 -0.589 1.00 0.00 H new ATOM 0 HB2 GLN A 53 -0.878 4.379 1.221 1.00 0.00 H new ATOM 0 HB3 GLN A 53 -0.800 2.630 1.307 1.00 0.00 H new ATOM 0 HG2 GLN A 53 0.065 2.663 -1.119 1.00 0.00 H new ATOM 0 HG3 GLN A 53 0.204 4.403 -0.964 1.00 0.00 H new ATOM 0 HE21 GLN A 53 1.368 5.192 1.023 1.00 0.00 H new ATOM 0 HE22 GLN A 53 2.852 4.350 1.481 1.00 0.00 H new ATOM 894 N ARG A 54 -2.071 1.037 -0.619 1.00 0.00 N ATOM 895 CA ARG A 54 -2.053 -0.128 -1.488 1.00 0.00 C ATOM 896 C ARG A 54 -1.864 -1.403 -0.662 1.00 0.00 C ATOM 897 O ARG A 54 -0.902 -1.519 0.096 1.00 0.00 O ATOM 898 CB ARG A 54 -0.929 -0.027 -2.521 1.00 0.00 C ATOM 899 CG ARG A 54 -1.439 -0.373 -3.921 1.00 0.00 C ATOM 900 CD ARG A 54 -1.194 0.782 -4.895 1.00 0.00 C ATOM 901 NE ARG A 54 -1.971 0.570 -6.137 1.00 0.00 N ATOM 902 CZ ARG A 54 -2.099 1.485 -7.108 1.00 0.00 C ATOM 903 NH1 ARG A 54 -1.503 2.679 -6.986 1.00 0.00 N ATOM 904 NH2 ARG A 54 -2.824 1.206 -8.200 1.00 0.00 N ATOM 0 H ARG A 54 -1.902 0.837 0.367 1.00 0.00 H new ATOM 0 HA ARG A 54 -3.009 -0.167 -2.010 1.00 0.00 H new ATOM 0 HB2 ARG A 54 -0.518 0.983 -2.519 1.00 0.00 H new ATOM 0 HB3 ARG A 54 -0.118 -0.702 -2.248 1.00 0.00 H new ATOM 0 HG2 ARG A 54 -0.938 -1.271 -4.283 1.00 0.00 H new ATOM 0 HG3 ARG A 54 -2.505 -0.598 -3.878 1.00 0.00 H new ATOM 0 HD2 ARG A 54 -1.482 1.726 -4.433 1.00 0.00 H new ATOM 0 HD3 ARG A 54 -0.132 0.853 -5.128 1.00 0.00 H new ATOM 0 HE ARG A 54 -2.438 -0.328 -6.262 1.00 0.00 H new ATOM 0 HH11 ARG A 54 -0.952 2.891 -6.154 1.00 0.00 H new ATOM 0 HH12 ARG A 54 -1.600 3.375 -7.725 1.00 0.00 H new ATOM 0 HH21 ARG A 54 -3.278 0.297 -8.292 1.00 0.00 H new ATOM 0 HH22 ARG A 54 -2.922 1.902 -8.939 1.00 0.00 H new ATOM 918 N ILE A 55 -2.797 -2.327 -0.838 1.00 0.00 N ATOM 919 CA ILE A 55 -2.745 -3.588 -0.119 1.00 0.00 C ATOM 920 C ILE A 55 -1.968 -4.612 -0.949 1.00 0.00 C ATOM 921 O ILE A 55 -2.059 -4.620 -2.175 1.00 0.00 O ATOM 922 CB ILE A 55 -4.154 -4.047 0.261 1.00 0.00 C ATOM 923 CG1 ILE A 55 -4.683 -3.257 1.461 1.00 0.00 C ATOM 924 CG2 ILE A 55 -4.192 -5.556 0.507 1.00 0.00 C ATOM 925 CD1 ILE A 55 -6.206 -3.362 1.558 1.00 0.00 C ATOM 0 H ILE A 55 -3.593 -2.227 -1.468 1.00 0.00 H new ATOM 0 HA ILE A 55 -2.209 -3.467 0.823 1.00 0.00 H new ATOM 0 HB ILE A 55 -4.818 -3.841 -0.579 1.00 0.00 H new ATOM 0 HG12 ILE A 55 -4.230 -3.634 2.378 1.00 0.00 H new ATOM 0 HG13 ILE A 55 -4.392 -2.211 1.369 1.00 0.00 H new ATOM 0 HG21 ILE A 55 -5.205 -5.855 0.775 1.00 0.00 H new ATOM 0 HG22 ILE A 55 -3.887 -6.080 -0.399 1.00 0.00 H new ATOM 0 HG23 ILE A 55 -3.511 -5.809 1.320 1.00 0.00 H new ATOM 0 HD11 ILE A 55 -6.556 -2.792 2.419 1.00 0.00 H new ATOM 0 HD12 ILE A 55 -6.657 -2.962 0.650 1.00 0.00 H new ATOM 0 HD13 ILE A 55 -6.492 -4.407 1.675 1.00 0.00 H new ATOM 937 N LYS A 56 -1.221 -5.452 -0.247 1.00 0.00 N ATOM 938 CA LYS A 56 -0.429 -6.478 -0.904 1.00 0.00 C ATOM 939 C LYS A 56 -0.791 -7.846 -0.322 1.00 0.00 C ATOM 940 O LYS A 56 -0.558 -8.104 0.858 1.00 0.00 O ATOM 941 CB LYS A 56 1.061 -6.145 -0.812 1.00 0.00 C ATOM 942 CG LYS A 56 1.798 -6.573 -2.082 1.00 0.00 C ATOM 943 CD LYS A 56 3.269 -6.154 -2.030 1.00 0.00 C ATOM 944 CE LYS A 56 4.139 -7.274 -1.455 1.00 0.00 C ATOM 945 NZ LYS A 56 5.501 -6.775 -1.164 1.00 0.00 N ATOM 0 H LYS A 56 -1.148 -5.443 0.770 1.00 0.00 H new ATOM 0 HA LYS A 56 -0.659 -6.513 -1.969 1.00 0.00 H new ATOM 0 HB2 LYS A 56 1.189 -5.074 -0.657 1.00 0.00 H new ATOM 0 HB3 LYS A 56 1.497 -6.647 0.052 1.00 0.00 H new ATOM 0 HG2 LYS A 56 1.728 -7.654 -2.200 1.00 0.00 H new ATOM 0 HG3 LYS A 56 1.319 -6.125 -2.953 1.00 0.00 H new ATOM 0 HD2 LYS A 56 3.614 -5.899 -3.032 1.00 0.00 H new ATOM 0 HD3 LYS A 56 3.374 -5.257 -1.419 1.00 0.00 H new ATOM 0 HE2 LYS A 56 3.685 -7.663 -0.543 1.00 0.00 H new ATOM 0 HE3 LYS A 56 4.192 -8.101 -2.163 1.00 0.00 H new ATOM 0 HZ1 LYS A 56 6.078 -7.548 -0.775 1.00 0.00 H new ATOM 0 HZ2 LYS A 56 5.937 -6.425 -2.041 1.00 0.00 H new ATOM 0 HZ3 LYS A 56 5.447 -6.001 -0.472 1.00 0.00 H new ATOM 959 N THR A 57 -1.355 -8.686 -1.177 1.00 0.00 N ATOM 960 CA THR A 57 -1.751 -10.021 -0.763 1.00 0.00 C ATOM 961 C THR A 57 -0.632 -11.024 -1.053 1.00 0.00 C ATOM 962 O THR A 57 -0.071 -11.033 -2.147 1.00 0.00 O ATOM 963 CB THR A 57 -3.068 -10.362 -1.462 1.00 0.00 C ATOM 964 OG1 THR A 57 -3.807 -9.144 -1.424 1.00 0.00 O ATOM 965 CG2 THR A 57 -3.924 -11.341 -0.656 1.00 0.00 C ATOM 0 H THR A 57 -1.547 -8.468 -2.155 1.00 0.00 H new ATOM 0 HA THR A 57 -1.916 -10.068 0.313 1.00 0.00 H new ATOM 0 HB THR A 57 -2.857 -10.787 -2.443 1.00 0.00 H new ATOM 0 HG1 THR A 57 -4.176 -9.013 -0.526 1.00 0.00 H new ATOM 0 HG21 THR A 57 -4.847 -11.549 -1.198 1.00 0.00 H new ATOM 0 HG22 THR A 57 -3.373 -12.270 -0.508 1.00 0.00 H new ATOM 0 HG23 THR A 57 -4.163 -10.903 0.313 1.00 0.00 H new ATOM 1050 N GLU A 63 -3.023 -13.628 4.059 1.00 0.00 N ATOM 1051 CA GLU A 63 -2.596 -12.435 4.771 1.00 0.00 C ATOM 1052 C GLU A 63 -2.329 -11.296 3.785 1.00 0.00 C ATOM 1053 O GLU A 63 -1.542 -11.449 2.852 1.00 0.00 O ATOM 1054 CB GLU A 63 -1.361 -12.721 5.627 1.00 0.00 C ATOM 1055 CG GLU A 63 -0.916 -11.467 6.383 1.00 0.00 C ATOM 1056 CD GLU A 63 0.520 -11.087 6.017 1.00 0.00 C ATOM 1057 OE1 GLU A 63 0.686 -10.459 4.949 1.00 0.00 O ATOM 1058 OE2 GLU A 63 1.419 -11.432 6.813 1.00 0.00 O ATOM 0 HA GLU A 63 -3.399 -12.128 5.441 1.00 0.00 H new ATOM 0 HB2 GLU A 63 -1.582 -13.518 6.336 1.00 0.00 H new ATOM 0 HB3 GLU A 63 -0.548 -13.075 4.993 1.00 0.00 H new ATOM 0 HG2 GLU A 63 -1.586 -10.640 6.149 1.00 0.00 H new ATOM 0 HG3 GLU A 63 -0.988 -11.641 7.457 1.00 0.00 H new ATOM 1065 N SER A 64 -2.999 -10.178 4.026 1.00 0.00 N ATOM 1066 CA SER A 64 -2.843 -9.014 3.171 1.00 0.00 C ATOM 1067 C SER A 64 -2.493 -7.787 4.016 1.00 0.00 C ATOM 1068 O SER A 64 -3.129 -7.530 5.036 1.00 0.00 O ATOM 1069 CB SER A 64 -4.113 -8.754 2.358 1.00 0.00 C ATOM 1070 OG SER A 64 -4.462 -9.868 1.542 1.00 0.00 O ATOM 0 H SER A 64 -3.651 -10.054 4.801 1.00 0.00 H new ATOM 0 HA SER A 64 -2.030 -9.209 2.472 1.00 0.00 H new ATOM 0 HB2 SER A 64 -4.937 -8.528 3.035 1.00 0.00 H new ATOM 0 HB3 SER A 64 -3.967 -7.876 1.729 1.00 0.00 H new ATOM 0 HG SER A 64 -5.287 -9.669 1.052 1.00 0.00 H new ATOM 1076 N LYS A 65 -1.482 -7.063 3.559 1.00 0.00 N ATOM 1077 CA LYS A 65 -1.040 -5.870 4.260 1.00 0.00 C ATOM 1078 C LYS A 65 -1.231 -4.651 3.355 1.00 0.00 C ATOM 1079 O LYS A 65 -1.064 -4.743 2.140 1.00 0.00 O ATOM 1080 CB LYS A 65 0.395 -6.044 4.762 1.00 0.00 C ATOM 1081 CG LYS A 65 1.402 -5.526 3.733 1.00 0.00 C ATOM 1082 CD LYS A 65 2.830 -5.597 4.279 1.00 0.00 C ATOM 1083 CE LYS A 65 3.318 -7.045 4.351 1.00 0.00 C ATOM 1084 NZ LYS A 65 3.547 -7.583 2.991 1.00 0.00 N ATOM 0 H LYS A 65 -0.957 -7.280 2.712 1.00 0.00 H new ATOM 0 HA LYS A 65 -1.647 -5.705 5.150 1.00 0.00 H new ATOM 0 HB2 LYS A 65 0.523 -5.508 5.703 1.00 0.00 H new ATOM 0 HB3 LYS A 65 0.587 -7.097 4.966 1.00 0.00 H new ATOM 0 HG2 LYS A 65 1.329 -6.115 2.819 1.00 0.00 H new ATOM 0 HG3 LYS A 65 1.161 -4.496 3.469 1.00 0.00 H new ATOM 0 HD2 LYS A 65 3.496 -5.016 3.641 1.00 0.00 H new ATOM 0 HD3 LYS A 65 2.867 -5.147 5.271 1.00 0.00 H new ATOM 0 HE2 LYS A 65 4.241 -7.096 4.929 1.00 0.00 H new ATOM 0 HE3 LYS A 65 2.582 -7.658 4.872 1.00 0.00 H new ATOM 0 HZ1 LYS A 65 4.137 -8.437 3.050 1.00 0.00 H new ATOM 0 HZ2 LYS A 65 2.634 -7.822 2.554 1.00 0.00 H new ATOM 0 HZ3 LYS A 65 4.031 -6.868 2.412 1.00 0.00 H new ATOM 1098 N GLY A 66 -1.579 -3.537 3.982 1.00 0.00 N ATOM 1099 CA GLY A 66 -1.795 -2.301 3.248 1.00 0.00 C ATOM 1100 C GLY A 66 -1.697 -1.089 4.176 1.00 0.00 C ATOM 1101 O GLY A 66 -2.175 -1.129 5.309 1.00 0.00 O ATOM 0 H GLY A 66 -1.717 -3.464 4.990 1.00 0.00 H new ATOM 0 HA2 GLY A 66 -1.057 -2.214 2.450 1.00 0.00 H new ATOM 0 HA3 GLY A 66 -2.776 -2.322 2.774 1.00 0.00 H new ATOM 1105 N TYR A 67 -1.074 -0.039 3.661 1.00 0.00 N ATOM 1106 CA TYR A 67 -0.908 1.184 4.429 1.00 0.00 C ATOM 1107 C TYR A 67 -2.105 2.118 4.239 1.00 0.00 C ATOM 1108 O TYR A 67 -2.539 2.355 3.113 1.00 0.00 O ATOM 1109 CB TYR A 67 0.347 1.862 3.875 1.00 0.00 C ATOM 1110 CG TYR A 67 1.388 2.210 4.941 1.00 0.00 C ATOM 1111 CD1 TYR A 67 1.033 2.990 6.024 1.00 0.00 C ATOM 1112 CD2 TYR A 67 2.681 1.744 4.821 1.00 0.00 C ATOM 1113 CE1 TYR A 67 2.013 3.317 7.027 1.00 0.00 C ATOM 1114 CE2 TYR A 67 3.661 2.071 5.824 1.00 0.00 C ATOM 1115 CZ TYR A 67 3.279 2.842 6.877 1.00 0.00 C ATOM 1116 OH TYR A 67 4.204 3.151 7.825 1.00 0.00 O ATOM 0 H TYR A 67 -0.678 -0.010 2.721 1.00 0.00 H new ATOM 0 HA TYR A 67 -0.828 0.961 5.493 1.00 0.00 H new ATOM 0 HB2 TYR A 67 0.805 1.206 3.135 1.00 0.00 H new ATOM 0 HB3 TYR A 67 0.055 2.775 3.355 1.00 0.00 H new ATOM 0 HD1 TYR A 67 0.021 3.355 6.119 1.00 0.00 H new ATOM 0 HD2 TYR A 67 2.958 1.134 3.974 1.00 0.00 H new ATOM 0 HE1 TYR A 67 1.749 3.926 7.879 1.00 0.00 H new ATOM 0 HE2 TYR A 67 4.676 1.712 5.742 1.00 0.00 H new ATOM 0 HH TYR A 67 4.539 2.327 8.236 1.00 0.00 H new ATOM 1126 N ALA A 68 -2.604 2.623 5.358 1.00 0.00 N ATOM 1127 CA ALA A 68 -3.742 3.526 5.329 1.00 0.00 C ATOM 1128 C ALA A 68 -3.292 4.920 5.770 1.00 0.00 C ATOM 1129 O ALA A 68 -2.316 5.058 6.506 1.00 0.00 O ATOM 1130 CB ALA A 68 -4.860 2.967 6.211 1.00 0.00 C ATOM 0 H ALA A 68 -2.241 2.424 6.290 1.00 0.00 H new ATOM 0 HA ALA A 68 -4.138 3.612 4.317 1.00 0.00 H new ATOM 0 HB1 ALA A 68 -5.714 3.644 6.189 1.00 0.00 H new ATOM 0 HB2 ALA A 68 -5.163 1.989 5.838 1.00 0.00 H new ATOM 0 HB3 ALA A 68 -4.501 2.869 7.235 1.00 0.00 H new ATOM 1136 N LYS A 69 -4.026 5.920 5.302 1.00 0.00 N ATOM 1137 CA LYS A 69 -3.715 7.298 5.640 1.00 0.00 C ATOM 1138 C LYS A 69 -4.909 7.923 6.364 1.00 0.00 C ATOM 1139 O LYS A 69 -5.968 8.116 5.770 1.00 0.00 O ATOM 1140 CB LYS A 69 -3.280 8.070 4.392 1.00 0.00 C ATOM 1141 CG LYS A 69 -1.924 7.573 3.885 1.00 0.00 C ATOM 1142 CD LYS A 69 -1.685 8.015 2.440 1.00 0.00 C ATOM 1143 CE LYS A 69 -1.406 6.811 1.538 1.00 0.00 C ATOM 1144 NZ LYS A 69 -1.067 7.257 0.168 1.00 0.00 N ATOM 0 H LYS A 69 -4.835 5.803 4.692 1.00 0.00 H new ATOM 0 HA LYS A 69 -2.868 7.341 6.325 1.00 0.00 H new ATOM 0 HB2 LYS A 69 -4.030 7.955 3.609 1.00 0.00 H new ATOM 0 HB3 LYS A 69 -3.219 9.134 4.621 1.00 0.00 H new ATOM 0 HG2 LYS A 69 -1.129 7.959 4.523 1.00 0.00 H new ATOM 0 HG3 LYS A 69 -1.884 6.486 3.948 1.00 0.00 H new ATOM 0 HD2 LYS A 69 -2.557 8.555 2.072 1.00 0.00 H new ATOM 0 HD3 LYS A 69 -0.843 8.706 2.402 1.00 0.00 H new ATOM 0 HE2 LYS A 69 -0.585 6.224 1.949 1.00 0.00 H new ATOM 0 HE3 LYS A 69 -2.280 6.160 1.509 1.00 0.00 H new ATOM 0 HZ1 LYS A 69 -0.881 6.427 -0.431 1.00 0.00 H new ATOM 0 HZ2 LYS A 69 -1.862 7.798 -0.228 1.00 0.00 H new ATOM 0 HZ3 LYS A 69 -0.220 7.859 0.199 1.00 0.00 H new ATOM 1158 N LEU A 70 -4.697 8.222 7.638 1.00 0.00 N ATOM 1159 CA LEU A 70 -5.743 8.821 8.450 1.00 0.00 C ATOM 1160 C LEU A 70 -5.512 10.331 8.537 1.00 0.00 C ATOM 1161 O LEU A 70 -4.448 10.777 8.963 1.00 0.00 O ATOM 1162 CB LEU A 70 -5.823 8.132 9.813 1.00 0.00 C ATOM 1163 CG LEU A 70 -6.642 8.856 10.883 1.00 0.00 C ATOM 1164 CD1 LEU A 70 -8.054 9.162 10.380 1.00 0.00 C ATOM 1165 CD2 LEU A 70 -6.659 8.063 12.191 1.00 0.00 C ATOM 0 H LEU A 70 -3.817 8.061 8.127 1.00 0.00 H new ATOM 0 HA LEU A 70 -6.718 8.673 7.986 1.00 0.00 H new ATOM 0 HB2 LEU A 70 -6.246 7.137 9.671 1.00 0.00 H new ATOM 0 HB3 LEU A 70 -4.809 7.996 10.190 1.00 0.00 H new ATOM 0 HG LEU A 70 -6.161 9.811 11.092 1.00 0.00 H new ATOM 0 HD11 LEU A 70 -8.615 9.677 11.160 1.00 0.00 H new ATOM 0 HD12 LEU A 70 -7.996 9.797 9.496 1.00 0.00 H new ATOM 0 HD13 LEU A 70 -8.559 8.230 10.125 1.00 0.00 H new ATOM 0 HD21 LEU A 70 -7.248 8.600 12.934 1.00 0.00 H new ATOM 0 HD22 LEU A 70 -7.102 7.083 12.016 1.00 0.00 H new ATOM 0 HD23 LEU A 70 -5.639 7.941 12.556 1.00 0.00 H new ATOM 1177 N TYR A 71 -6.528 11.077 8.126 1.00 0.00 N ATOM 1178 CA TYR A 71 -6.449 12.527 8.152 1.00 0.00 C ATOM 1179 C TYR A 71 -7.312 13.103 9.277 1.00 0.00 C ATOM 1180 O TYR A 71 -8.175 12.412 9.818 1.00 0.00 O ATOM 1181 CB TYR A 71 -7.001 13.004 6.807 1.00 0.00 C ATOM 1182 CG TYR A 71 -6.256 12.443 5.595 1.00 0.00 C ATOM 1183 CD1 TYR A 71 -4.883 12.556 5.515 1.00 0.00 C ATOM 1184 CD2 TYR A 71 -6.957 11.823 4.580 1.00 0.00 C ATOM 1185 CE1 TYR A 71 -4.181 12.028 4.374 1.00 0.00 C ATOM 1186 CE2 TYR A 71 -6.255 11.295 3.439 1.00 0.00 C ATOM 1187 CZ TYR A 71 -4.902 11.423 3.392 1.00 0.00 C ATOM 1188 OH TYR A 71 -4.239 10.925 2.314 1.00 0.00 O ATOM 0 H TYR A 71 -7.409 10.704 7.773 1.00 0.00 H new ATOM 0 HA TYR A 71 -5.423 12.852 8.322 1.00 0.00 H new ATOM 0 HB2 TYR A 71 -8.052 12.723 6.737 1.00 0.00 H new ATOM 0 HB3 TYR A 71 -6.959 14.093 6.774 1.00 0.00 H new ATOM 0 HD1 TYR A 71 -4.334 13.041 6.309 1.00 0.00 H new ATOM 0 HD2 TYR A 71 -8.032 11.734 4.642 1.00 0.00 H new ATOM 0 HE1 TYR A 71 -3.107 12.110 4.300 1.00 0.00 H new ATOM 0 HE2 TYR A 71 -6.791 10.808 2.638 1.00 0.00 H new ATOM 0 HH TYR A 71 -4.881 10.520 1.694 1.00 0.00 H new ATOM 1198 N GLU A 72 -7.050 14.362 9.596 1.00 0.00 N ATOM 1199 CA GLU A 72 -7.792 15.038 10.646 1.00 0.00 C ATOM 1200 C GLU A 72 -9.023 15.735 10.063 1.00 0.00 C ATOM 1201 O GLU A 72 -10.077 15.775 10.696 1.00 0.00 O ATOM 1202 CB GLU A 72 -6.902 16.032 11.394 1.00 0.00 C ATOM 1203 CG GLU A 72 -5.960 15.308 12.358 1.00 0.00 C ATOM 1204 CD GLU A 72 -5.307 16.293 13.330 1.00 0.00 C ATOM 1205 OE1 GLU A 72 -4.600 17.196 12.833 1.00 0.00 O ATOM 1206 OE2 GLU A 72 -5.528 16.119 14.548 1.00 0.00 O ATOM 0 H GLU A 72 -6.334 14.932 9.145 1.00 0.00 H new ATOM 0 HA GLU A 72 -8.129 14.290 11.364 1.00 0.00 H new ATOM 0 HB2 GLU A 72 -6.320 16.613 10.679 1.00 0.00 H new ATOM 0 HB3 GLU A 72 -7.523 16.737 11.947 1.00 0.00 H new ATOM 0 HG2 GLU A 72 -6.515 14.554 12.917 1.00 0.00 H new ATOM 0 HG3 GLU A 72 -5.189 14.783 11.794 1.00 0.00 H new ATOM 1213 N ASP A 73 -8.848 16.267 8.862 1.00 0.00 N ATOM 1214 CA ASP A 73 -9.931 16.960 8.186 1.00 0.00 C ATOM 1215 C ASP A 73 -10.038 16.450 6.747 1.00 0.00 C ATOM 1216 O ASP A 73 -9.115 15.816 6.239 1.00 0.00 O ATOM 1217 CB ASP A 73 -9.673 18.468 8.134 1.00 0.00 C ATOM 1218 CG ASP A 73 -10.927 19.341 8.200 1.00 0.00 C ATOM 1219 OD1 ASP A 73 -11.629 19.249 9.230 1.00 0.00 O ATOM 1220 OD2 ASP A 73 -11.155 20.082 7.219 1.00 0.00 O ATOM 0 H ASP A 73 -7.972 16.232 8.340 1.00 0.00 H new ATOM 0 HA ASP A 73 -10.850 16.770 8.740 1.00 0.00 H new ATOM 0 HB2 ASP A 73 -9.017 18.738 8.961 1.00 0.00 H new ATOM 0 HB3 ASP A 73 -9.136 18.698 7.214 1.00 0.00 H new ATOM 1225 N ALA A 74 -11.174 16.746 6.131 1.00 0.00 N ATOM 1226 CA ALA A 74 -11.414 16.324 4.762 1.00 0.00 C ATOM 1227 C ALA A 74 -10.769 17.328 3.804 1.00 0.00 C ATOM 1228 O ALA A 74 -10.154 16.938 2.812 1.00 0.00 O ATOM 1229 CB ALA A 74 -12.919 16.180 4.528 1.00 0.00 C ATOM 0 H ALA A 74 -11.937 17.273 6.555 1.00 0.00 H new ATOM 0 HA ALA A 74 -10.961 15.351 4.575 1.00 0.00 H new ATOM 0 HB1 ALA A 74 -13.099 15.863 3.501 1.00 0.00 H new ATOM 0 HB2 ALA A 74 -13.324 15.436 5.213 1.00 0.00 H new ATOM 0 HB3 ALA A 74 -13.408 17.138 4.703 1.00 0.00 H new ATOM 1235 N ASP A 75 -10.930 18.601 4.134 1.00 0.00 N ATOM 1236 CA ASP A 75 -10.371 19.663 3.315 1.00 0.00 C ATOM 1237 C ASP A 75 -8.878 19.404 3.102 1.00 0.00 C ATOM 1238 O ASP A 75 -8.397 19.421 1.970 1.00 0.00 O ATOM 1239 CB ASP A 75 -10.522 21.023 3.999 1.00 0.00 C ATOM 1240 CG ASP A 75 -11.182 22.107 3.145 1.00 0.00 C ATOM 1241 OD1 ASP A 75 -11.305 21.870 1.923 1.00 0.00 O ATOM 1242 OD2 ASP A 75 -11.548 23.148 3.732 1.00 0.00 O ATOM 0 H ASP A 75 -11.440 18.921 4.958 1.00 0.00 H new ATOM 0 HA ASP A 75 -10.907 19.675 2.366 1.00 0.00 H new ATOM 0 HB2 ASP A 75 -11.108 20.892 4.909 1.00 0.00 H new ATOM 0 HB3 ASP A 75 -9.535 21.372 4.303 1.00 0.00 H new ATOM 1247 N ARG A 76 -8.186 19.171 4.207 1.00 0.00 N ATOM 1248 CA ARG A 76 -6.758 18.909 4.155 1.00 0.00 C ATOM 1249 C ARG A 76 -6.466 17.747 3.205 1.00 0.00 C ATOM 1250 O ARG A 76 -5.647 17.874 2.296 1.00 0.00 O ATOM 1251 CB ARG A 76 -6.209 18.574 5.544 1.00 0.00 C ATOM 1252 CG ARG A 76 -5.440 19.760 6.130 1.00 0.00 C ATOM 1253 CD ARG A 76 -6.292 21.031 6.107 1.00 0.00 C ATOM 1254 NE ARG A 76 -6.815 21.315 7.462 1.00 0.00 N ATOM 1255 CZ ARG A 76 -6.042 21.573 8.526 1.00 0.00 C ATOM 1256 NH1 ARG A 76 -4.708 21.584 8.399 1.00 0.00 N ATOM 1257 NH2 ARG A 76 -6.603 21.819 9.718 1.00 0.00 N ATOM 0 H ARG A 76 -8.588 19.158 5.144 1.00 0.00 H new ATOM 0 HA ARG A 76 -6.268 19.812 3.791 1.00 0.00 H new ATOM 0 HB2 ARG A 76 -7.030 18.304 6.208 1.00 0.00 H new ATOM 0 HB3 ARG A 76 -5.553 17.706 5.480 1.00 0.00 H new ATOM 0 HG2 ARG A 76 -5.143 19.535 7.154 1.00 0.00 H new ATOM 0 HG3 ARG A 76 -4.524 19.921 5.561 1.00 0.00 H new ATOM 0 HD2 ARG A 76 -5.695 21.872 5.755 1.00 0.00 H new ATOM 0 HD3 ARG A 76 -7.119 20.912 5.407 1.00 0.00 H new ATOM 0 HE ARG A 76 -7.826 21.314 7.594 1.00 0.00 H new ATOM 0 HH11 ARG A 76 -4.280 21.396 7.492 1.00 0.00 H new ATOM 0 HH12 ARG A 76 -4.120 21.780 9.209 1.00 0.00 H new ATOM 0 HH21 ARG A 76 -7.618 21.810 9.815 1.00 0.00 H new ATOM 0 HH22 ARG A 76 -6.015 22.015 10.528 1.00 0.00 H new ATOM 1271 N MET A 77 -7.152 16.639 3.447 1.00 0.00 N ATOM 1272 CA MET A 77 -6.976 15.455 2.623 1.00 0.00 C ATOM 1273 C MET A 77 -7.060 15.804 1.136 1.00 0.00 C ATOM 1274 O MET A 77 -6.172 15.452 0.361 1.00 0.00 O ATOM 1275 CB MET A 77 -8.056 14.428 2.969 1.00 0.00 C ATOM 1276 CG MET A 77 -8.185 13.375 1.866 1.00 0.00 C ATOM 1277 SD MET A 77 -9.689 13.640 0.943 1.00 0.00 S ATOM 1278 CE MET A 77 -10.799 12.574 1.847 1.00 0.00 C ATOM 0 H MET A 77 -7.830 16.536 4.202 1.00 0.00 H new ATOM 0 HA MET A 77 -5.989 15.039 2.823 1.00 0.00 H new ATOM 0 HB2 MET A 77 -7.812 13.942 3.914 1.00 0.00 H new ATOM 0 HB3 MET A 77 -9.012 14.933 3.108 1.00 0.00 H new ATOM 0 HG2 MET A 77 -7.325 13.428 1.199 1.00 0.00 H new ATOM 0 HG3 MET A 77 -8.188 12.377 2.303 1.00 0.00 H new ATOM 0 HE1 MET A 77 -11.821 12.935 1.736 1.00 0.00 H new ATOM 0 HE2 MET A 77 -10.728 11.559 1.455 1.00 0.00 H new ATOM 0 HE3 MET A 77 -10.526 12.575 2.902 1.00 0.00 H new