USER MOD reduce.3.24.130724 H: found=0, std=0, add=684, rem=0, adj=20 USER MOD reduce.3.24.130724 removed 677 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 80 HIS : no HD1:sc= -0.551 K(o=0.046,f=-4.7) USER MOD Set 1.2: A 82 HIS : no HE2:sc= 0.597 K(o=0.046,f=-8.7!) USER MOD Set 2.1: A 75 SER OG : rot 180:sc= -0.621 USER MOD Set 2.2: A 78 HIS : no HE2:sc= -2.58 K(o=-3.2,f=-4.6!) USER MOD Single : A 1 MET CE :methyl 153:sc= -0.173 (180deg=-1.26) USER MOD Single : A 1 MET N :NH3+ -159:sc= -0.0323 (180deg=-0.394) USER MOD Single : A 2 GLN : amide:sc= 0.319 X(o=0.32,f=0) USER MOD Single : A 3 TYR OH : rot -40:sc= 0.304 USER MOD Single : A 4 THR OG1 : rot 162:sc= -0.471 USER MOD Single : A 7 THR OG1 : rot -106:sc= 1.55 USER MOD Single : A 10 LYS NZ :NH3+ -161:sc= -0.0815 (180deg=-0.643) USER MOD Single : A 12 THR OG1 : rot 10:sc= -0.578 USER MOD Single : A 15 SER OG : rot -150:sc= -0.278 USER MOD Single : A 19 SER OG : rot 180:sc= 0 USER MOD Single : A 22 TYR OH : rot 180:sc= 0 USER MOD Single : A 24 GLN : amide:sc= -0.317 K(o=-0.32,f=-0.87) USER MOD Single : A 25 LYS NZ :NH3+ 180:sc=-0.00951 (180deg=-0.00951) USER MOD Single : A 28 SER OG : rot 29:sc= 0.732 USER MOD Single : A 31 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 35 SER OG : rot 180:sc= 0 USER MOD Single : A 36 SER OG : rot 180:sc= -0.576 USER MOD Single : A 38 ASN : amide:sc= -2.91 K(o=-2.9,f=-0.11) USER MOD Single : A 50 HIS : no HE2:sc= -2.14 X(o=-2.1,f=-2.6!) USER MOD Single : A 53 THR OG1 : rot -85:sc= 1.78 USER MOD Single : A 57 SER OG : rot 180:sc= 0 USER MOD Single : A 62 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 63 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 74 SER OG : rot 180:sc= 0 USER MOD Single : A 79 HIS : no HD1:sc= -1.35 X(o=-1.4,f=-0.88) USER MOD Single : A 81 HIS : no HD1:sc= -1.8! C(o=-1.8!,f=-6.2!) USER MOD Single : A 83 HIS : no HD1:sc= 0 X(o=0,f=-0.24) USER MOD ----------------------------------------------------------------- ATOM 1 N MET A 1 -18.716 -20.322 -10.306 1.00 0.00 N ATOM 2 CA MET A 1 -18.303 -19.002 -9.751 1.00 0.00 C ATOM 3 C MET A 1 -16.789 -18.974 -9.584 1.00 0.00 C ATOM 4 O MET A 1 -16.265 -19.310 -8.523 1.00 0.00 O ATOM 5 CB MET A 1 -18.980 -18.788 -8.396 1.00 0.00 C ATOM 6 CG MET A 1 -20.481 -18.591 -8.601 1.00 0.00 C ATOM 7 SD MET A 1 -21.294 -18.439 -6.990 1.00 0.00 S ATOM 8 CE MET A 1 -20.525 -16.879 -6.486 1.00 0.00 C ATOM 0 H1 MET A 1 -19.654 -20.235 -10.748 1.00 0.00 H new ATOM 0 H2 MET A 1 -18.025 -20.630 -11.019 1.00 0.00 H new ATOM 0 H3 MET A 1 -18.758 -21.023 -9.539 1.00 0.00 H new ATOM 0 HA MET A 1 -18.603 -18.206 -10.433 1.00 0.00 H new ATOM 0 HB2 MET A 1 -18.800 -19.646 -7.748 1.00 0.00 H new ATOM 0 HB3 MET A 1 -18.553 -17.918 -7.898 1.00 0.00 H new ATOM 0 HG2 MET A 1 -20.663 -17.698 -9.198 1.00 0.00 H new ATOM 0 HG3 MET A 1 -20.897 -19.434 -9.153 1.00 0.00 H new ATOM 0 HE1 MET A 1 -21.185 -16.354 -5.795 1.00 0.00 H new ATOM 0 HE2 MET A 1 -19.574 -17.084 -5.994 1.00 0.00 H new ATOM 0 HE3 MET A 1 -20.352 -16.258 -7.365 1.00 0.00 H new ATOM 20 N GLN A 2 -16.091 -18.575 -10.641 1.00 0.00 N ATOM 21 CA GLN A 2 -14.634 -18.511 -10.601 1.00 0.00 C ATOM 22 C GLN A 2 -14.173 -17.463 -9.591 1.00 0.00 C ATOM 23 O GLN A 2 -13.196 -17.670 -8.869 1.00 0.00 O ATOM 24 CB GLN A 2 -14.085 -18.152 -11.984 1.00 0.00 C ATOM 25 CG GLN A 2 -12.556 -18.243 -11.977 1.00 0.00 C ATOM 26 CD GLN A 2 -11.994 -17.703 -13.284 1.00 0.00 C ATOM 27 OE1 GLN A 2 -12.308 -18.212 -14.361 1.00 0.00 O ATOM 28 NE2 GLN A 2 -11.188 -16.679 -13.248 1.00 0.00 N ATOM 0 H GLN A 2 -16.505 -18.293 -11.529 1.00 0.00 H new ATOM 0 HA GLN A 2 -14.257 -19.489 -10.301 1.00 0.00 H new ATOM 0 HB2 GLN A 2 -14.495 -18.828 -12.734 1.00 0.00 H new ATOM 0 HB3 GLN A 2 -14.397 -17.144 -12.258 1.00 0.00 H new ATOM 0 HG2 GLN A 2 -12.154 -17.676 -11.137 1.00 0.00 H new ATOM 0 HG3 GLN A 2 -12.246 -19.279 -11.839 1.00 0.00 H new ATOM 0 HE21 GLN A 2 -10.932 -16.263 -12.353 1.00 0.00 H new ATOM 0 HE22 GLN A 2 -10.813 -16.294 -14.115 1.00 0.00 H new ATOM 37 N TYR A 3 -14.873 -16.335 -9.557 1.00 0.00 N ATOM 38 CA TYR A 3 -14.515 -15.256 -8.644 1.00 0.00 C ATOM 39 C TYR A 3 -14.949 -15.607 -7.233 1.00 0.00 C ATOM 40 O TYR A 3 -16.040 -16.136 -7.024 1.00 0.00 O ATOM 41 CB TYR A 3 -15.194 -13.957 -9.075 1.00 0.00 C ATOM 42 CG TYR A 3 -14.774 -13.618 -10.482 1.00 0.00 C ATOM 43 CD1 TYR A 3 -13.617 -12.861 -10.713 1.00 0.00 C ATOM 44 CD2 TYR A 3 -15.543 -14.065 -11.561 1.00 0.00 C ATOM 45 CE1 TYR A 3 -13.235 -12.555 -12.021 1.00 0.00 C ATOM 46 CE2 TYR A 3 -15.159 -13.757 -12.870 1.00 0.00 C ATOM 47 CZ TYR A 3 -14.004 -13.002 -13.100 1.00 0.00 C ATOM 48 OH TYR A 3 -13.624 -12.698 -14.391 1.00 0.00 O ATOM 0 H TYR A 3 -15.684 -16.144 -10.145 1.00 0.00 H new ATOM 0 HA TYR A 3 -13.434 -15.122 -8.668 1.00 0.00 H new ATOM 0 HB2 TYR A 3 -16.277 -14.065 -9.023 1.00 0.00 H new ATOM 0 HB3 TYR A 3 -14.921 -13.148 -8.397 1.00 0.00 H new ATOM 0 HD1 TYR A 3 -13.022 -12.515 -9.881 1.00 0.00 H new ATOM 0 HD2 TYR A 3 -16.434 -14.649 -11.383 1.00 0.00 H new ATOM 0 HE1 TYR A 3 -12.344 -11.972 -12.200 1.00 0.00 H new ATOM 0 HE2 TYR A 3 -15.754 -14.102 -13.703 1.00 0.00 H new ATOM 0 HH TYR A 3 -13.294 -11.776 -14.426 1.00 0.00 H new ATOM 58 N THR A 4 -14.085 -15.321 -6.260 1.00 0.00 N ATOM 59 CA THR A 4 -14.388 -15.628 -4.860 1.00 0.00 C ATOM 60 C THR A 4 -14.002 -14.451 -3.960 1.00 0.00 C ATOM 61 O THR A 4 -13.110 -13.672 -4.295 1.00 0.00 O ATOM 62 CB THR A 4 -13.625 -16.901 -4.417 1.00 0.00 C ATOM 63 OG1 THR A 4 -12.601 -16.554 -3.493 1.00 0.00 O ATOM 64 CG2 THR A 4 -12.993 -17.580 -5.635 1.00 0.00 C ATOM 0 H THR A 4 -13.177 -14.881 -6.411 1.00 0.00 H new ATOM 0 HA THR A 4 -15.460 -15.804 -4.768 1.00 0.00 H new ATOM 0 HB THR A 4 -14.329 -17.585 -3.942 1.00 0.00 H new ATOM 0 HG1 THR A 4 -12.318 -17.354 -3.002 1.00 0.00 H new ATOM 0 HG21 THR A 4 -12.458 -18.475 -5.316 1.00 0.00 H new ATOM 0 HG22 THR A 4 -13.774 -17.857 -6.343 1.00 0.00 H new ATOM 0 HG23 THR A 4 -12.296 -16.892 -6.114 1.00 0.00 H new ATOM 72 N PRO A 5 -14.656 -14.312 -2.834 1.00 0.00 N ATOM 73 CA PRO A 5 -14.371 -13.206 -1.871 1.00 0.00 C ATOM 74 C PRO A 5 -12.983 -13.331 -1.241 1.00 0.00 C ATOM 75 O PRO A 5 -12.329 -12.328 -0.953 1.00 0.00 O ATOM 76 CB PRO A 5 -15.480 -13.354 -0.811 1.00 0.00 C ATOM 77 CG PRO A 5 -15.907 -14.786 -0.892 1.00 0.00 C ATOM 78 CD PRO A 5 -15.732 -15.192 -2.353 1.00 0.00 C ATOM 0 HA PRO A 5 -14.368 -12.229 -2.355 1.00 0.00 H new ATOM 0 HB2 PRO A 5 -15.109 -13.109 0.184 1.00 0.00 H new ATOM 0 HB3 PRO A 5 -16.313 -12.682 -1.016 1.00 0.00 H new ATOM 0 HG2 PRO A 5 -15.301 -15.412 -0.237 1.00 0.00 H new ATOM 0 HG3 PRO A 5 -16.943 -14.903 -0.575 1.00 0.00 H new ATOM 0 HD2 PRO A 5 -15.461 -16.244 -2.446 1.00 0.00 H new ATOM 0 HD3 PRO A 5 -16.651 -15.048 -2.921 1.00 0.00 H new ATOM 86 N ASP A 6 -12.541 -14.568 -1.025 1.00 0.00 N ATOM 87 CA ASP A 6 -11.232 -14.819 -0.423 1.00 0.00 C ATOM 88 C ASP A 6 -10.510 -15.942 -1.154 1.00 0.00 C ATOM 89 O ASP A 6 -10.716 -17.120 -0.860 1.00 0.00 O ATOM 90 CB ASP A 6 -11.403 -15.195 1.049 1.00 0.00 C ATOM 91 CG ASP A 6 -10.038 -15.397 1.695 1.00 0.00 C ATOM 92 OD1 ASP A 6 -9.055 -15.372 0.974 1.00 0.00 O ATOM 93 OD2 ASP A 6 -9.996 -15.575 2.902 1.00 0.00 O ATOM 0 H ASP A 6 -13.068 -15.410 -1.257 1.00 0.00 H new ATOM 0 HA ASP A 6 -10.636 -13.910 -0.502 1.00 0.00 H new ATOM 0 HB2 ASP A 6 -11.950 -14.411 1.572 1.00 0.00 H new ATOM 0 HB3 ASP A 6 -11.994 -16.107 1.134 1.00 0.00 H new ATOM 98 N THR A 7 -9.657 -15.571 -2.104 1.00 0.00 N ATOM 99 CA THR A 7 -8.894 -16.552 -2.873 1.00 0.00 C ATOM 100 C THR A 7 -7.471 -16.058 -3.094 1.00 0.00 C ATOM 101 O THR A 7 -7.233 -14.858 -3.217 1.00 0.00 O ATOM 102 CB THR A 7 -9.565 -16.797 -4.225 1.00 0.00 C ATOM 103 OG1 THR A 7 -8.692 -17.542 -5.059 1.00 0.00 O ATOM 104 CG2 THR A 7 -9.898 -15.459 -4.884 1.00 0.00 C ATOM 0 H THR A 7 -9.476 -14.600 -2.360 1.00 0.00 H new ATOM 0 HA THR A 7 -8.865 -17.485 -2.311 1.00 0.00 H new ATOM 0 HB THR A 7 -10.487 -17.360 -4.076 1.00 0.00 H new ATOM 0 HG1 THR A 7 -8.320 -16.955 -5.750 1.00 0.00 H new ATOM 0 HG21 THR A 7 -10.376 -15.637 -5.847 1.00 0.00 H new ATOM 0 HG22 THR A 7 -10.575 -14.895 -4.242 1.00 0.00 H new ATOM 0 HG23 THR A 7 -8.981 -14.889 -5.034 1.00 0.00 H new ATOM 112 N ALA A 8 -6.528 -16.995 -3.159 1.00 0.00 N ATOM 113 CA ALA A 8 -5.122 -16.645 -3.382 1.00 0.00 C ATOM 114 C ALA A 8 -4.747 -16.940 -4.826 1.00 0.00 C ATOM 115 O ALA A 8 -4.526 -18.092 -5.198 1.00 0.00 O ATOM 116 CB ALA A 8 -4.227 -17.464 -2.449 1.00 0.00 C ATOM 0 H ALA A 8 -6.706 -17.995 -3.062 1.00 0.00 H new ATOM 0 HA ALA A 8 -4.982 -15.584 -3.176 1.00 0.00 H new ATOM 0 HB1 ALA A 8 -3.184 -17.199 -2.620 1.00 0.00 H new ATOM 0 HB2 ALA A 8 -4.490 -17.251 -1.413 1.00 0.00 H new ATOM 0 HB3 ALA A 8 -4.369 -18.526 -2.649 1.00 0.00 H new ATOM 122 N TRP A 9 -4.690 -15.887 -5.641 1.00 0.00 N ATOM 123 CA TRP A 9 -4.355 -16.033 -7.059 1.00 0.00 C ATOM 124 C TRP A 9 -2.876 -15.766 -7.284 1.00 0.00 C ATOM 125 O TRP A 9 -2.267 -14.950 -6.592 1.00 0.00 O ATOM 126 CB TRP A 9 -5.190 -15.053 -7.899 1.00 0.00 C ATOM 127 CG TRP A 9 -6.592 -15.567 -8.044 1.00 0.00 C ATOM 128 CD1 TRP A 9 -7.183 -16.478 -7.236 1.00 0.00 C ATOM 129 CD2 TRP A 9 -7.585 -15.220 -9.052 1.00 0.00 C ATOM 130 NE1 TRP A 9 -8.471 -16.701 -7.675 1.00 0.00 N ATOM 131 CE2 TRP A 9 -8.766 -15.951 -8.789 1.00 0.00 C ATOM 132 CE3 TRP A 9 -7.576 -14.347 -10.153 1.00 0.00 C ATOM 133 CZ2 TRP A 9 -9.898 -15.825 -9.587 1.00 0.00 C ATOM 134 CZ3 TRP A 9 -8.716 -14.217 -10.963 1.00 0.00 C ATOM 135 CH2 TRP A 9 -9.877 -14.954 -10.679 1.00 0.00 C ATOM 0 H TRP A 9 -4.870 -14.927 -5.346 1.00 0.00 H new ATOM 0 HA TRP A 9 -4.580 -17.054 -7.365 1.00 0.00 H new ATOM 0 HB2 TRP A 9 -5.201 -14.072 -7.424 1.00 0.00 H new ATOM 0 HB3 TRP A 9 -4.737 -14.926 -8.882 1.00 0.00 H new ATOM 0 HD1 TRP A 9 -6.720 -16.954 -6.384 1.00 0.00 H new ATOM 0 HE1 TRP A 9 -9.125 -17.344 -7.228 1.00 0.00 H new ATOM 0 HE3 TRP A 9 -6.689 -13.774 -10.377 1.00 0.00 H new ATOM 0 HZ2 TRP A 9 -10.787 -16.396 -9.364 1.00 0.00 H new ATOM 0 HZ3 TRP A 9 -8.700 -13.546 -11.809 1.00 0.00 H new ATOM 0 HH2 TRP A 9 -10.752 -14.848 -11.303 1.00 0.00 H new ATOM 146 N LYS A 10 -2.298 -16.462 -8.261 1.00 0.00 N ATOM 147 CA LYS A 10 -0.882 -16.297 -8.578 1.00 0.00 C ATOM 148 C LYS A 10 -0.733 -15.494 -9.860 1.00 0.00 C ATOM 149 O LYS A 10 -1.313 -15.842 -10.889 1.00 0.00 O ATOM 150 CB LYS A 10 -0.222 -17.663 -8.749 1.00 0.00 C ATOM 151 CG LYS A 10 1.297 -17.494 -8.775 1.00 0.00 C ATOM 152 CD LYS A 10 1.963 -18.870 -8.805 1.00 0.00 C ATOM 153 CE LYS A 10 3.481 -18.699 -8.733 1.00 0.00 C ATOM 154 NZ LYS A 10 3.943 -17.882 -9.891 1.00 0.00 N ATOM 0 H LYS A 10 -2.786 -17.142 -8.844 1.00 0.00 H new ATOM 0 HA LYS A 10 -0.395 -15.766 -7.760 1.00 0.00 H new ATOM 0 HB2 LYS A 10 -0.511 -18.324 -7.932 1.00 0.00 H new ATOM 0 HB3 LYS A 10 -0.563 -18.131 -9.673 1.00 0.00 H new ATOM 0 HG2 LYS A 10 1.594 -16.915 -9.650 1.00 0.00 H new ATOM 0 HG3 LYS A 10 1.627 -16.938 -7.898 1.00 0.00 H new ATOM 0 HD2 LYS A 10 1.614 -19.474 -7.968 1.00 0.00 H new ATOM 0 HD3 LYS A 10 1.688 -19.400 -9.717 1.00 0.00 H new ATOM 0 HE2 LYS A 10 3.759 -18.214 -7.797 1.00 0.00 H new ATOM 0 HE3 LYS A 10 3.969 -19.674 -8.744 1.00 0.00 H new ATOM 0 HZ1 LYS A 10 4.963 -18.027 -10.033 1.00 0.00 H new ATOM 0 HZ2 LYS A 10 3.429 -18.172 -10.748 1.00 0.00 H new ATOM 0 HZ3 LYS A 10 3.759 -16.876 -9.701 1.00 0.00 H new ATOM 168 N ILE A 11 0.036 -14.416 -9.785 1.00 0.00 N ATOM 169 CA ILE A 11 0.245 -13.553 -10.941 1.00 0.00 C ATOM 170 C ILE A 11 1.340 -14.123 -11.831 1.00 0.00 C ATOM 171 O ILE A 11 2.477 -14.295 -11.396 1.00 0.00 O ATOM 172 CB ILE A 11 0.654 -12.150 -10.477 1.00 0.00 C ATOM 173 CG1 ILE A 11 -0.284 -11.684 -9.365 1.00 0.00 C ATOM 174 CG2 ILE A 11 0.548 -11.173 -11.650 1.00 0.00 C ATOM 175 CD1 ILE A 11 0.197 -10.339 -8.814 1.00 0.00 C ATOM 0 H ILE A 11 0.524 -14.119 -8.940 1.00 0.00 H new ATOM 0 HA ILE A 11 -0.686 -13.496 -11.505 1.00 0.00 H new ATOM 0 HB ILE A 11 1.679 -12.181 -10.109 1.00 0.00 H new ATOM 0 HG12 ILE A 11 -1.300 -11.588 -9.749 1.00 0.00 H new ATOM 0 HG13 ILE A 11 -0.314 -12.425 -8.567 1.00 0.00 H new ATOM 0 HG21 ILE A 11 0.839 -10.176 -11.320 1.00 0.00 H new ATOM 0 HG22 ILE A 11 1.209 -11.496 -12.454 1.00 0.00 H new ATOM 0 HG23 ILE A 11 -0.480 -11.150 -12.013 1.00 0.00 H new ATOM 0 HD11 ILE A 11 -0.474 -10.010 -8.021 1.00 0.00 H new ATOM 0 HD12 ILE A 11 1.205 -10.449 -8.414 1.00 0.00 H new ATOM 0 HD13 ILE A 11 0.203 -9.599 -9.614 1.00 0.00 H new ATOM 187 N THR A 12 0.990 -14.415 -13.083 1.00 0.00 N ATOM 188 CA THR A 12 1.955 -14.967 -14.037 1.00 0.00 C ATOM 189 C THR A 12 2.394 -13.898 -15.031 1.00 0.00 C ATOM 190 O THR A 12 3.340 -14.096 -15.792 1.00 0.00 O ATOM 191 CB THR A 12 1.325 -16.145 -14.786 1.00 0.00 C ATOM 192 OG1 THR A 12 0.003 -15.800 -15.169 1.00 0.00 O ATOM 193 CG2 THR A 12 1.288 -17.374 -13.878 1.00 0.00 C ATOM 0 H THR A 12 0.052 -14.280 -13.460 1.00 0.00 H new ATOM 0 HA THR A 12 2.831 -15.313 -13.488 1.00 0.00 H new ATOM 0 HB THR A 12 1.918 -16.372 -15.672 1.00 0.00 H new ATOM 0 HG1 THR A 12 -0.146 -14.845 -15.006 1.00 0.00 H new ATOM 0 HG21 THR A 12 0.839 -18.210 -14.415 1.00 0.00 H new ATOM 0 HG22 THR A 12 2.303 -17.637 -13.580 1.00 0.00 H new ATOM 0 HG23 THR A 12 0.695 -17.153 -12.990 1.00 0.00 H new ATOM 201 N GLY A 13 1.699 -12.761 -15.015 1.00 0.00 N ATOM 202 CA GLY A 13 2.025 -11.658 -15.917 1.00 0.00 C ATOM 203 C GLY A 13 0.766 -10.966 -16.415 1.00 0.00 C ATOM 204 O GLY A 13 -0.342 -11.472 -16.253 1.00 0.00 O ATOM 0 H GLY A 13 0.912 -12.580 -14.392 1.00 0.00 H new ATOM 0 HA2 GLY A 13 2.659 -10.938 -15.401 1.00 0.00 H new ATOM 0 HA3 GLY A 13 2.596 -12.035 -16.765 1.00 0.00 H new ATOM 208 N PHE A 14 0.943 -9.800 -17.028 1.00 0.00 N ATOM 209 CA PHE A 14 -0.187 -9.045 -17.554 1.00 0.00 C ATOM 210 C PHE A 14 -0.619 -9.619 -18.904 1.00 0.00 C ATOM 211 O PHE A 14 0.133 -10.347 -19.552 1.00 0.00 O ATOM 212 CB PHE A 14 0.196 -7.564 -17.705 1.00 0.00 C ATOM 213 CG PHE A 14 1.669 -7.453 -18.009 1.00 0.00 C ATOM 214 CD1 PHE A 14 2.167 -7.970 -19.207 1.00 0.00 C ATOM 215 CD2 PHE A 14 2.537 -6.840 -17.094 1.00 0.00 C ATOM 216 CE1 PHE A 14 3.534 -7.870 -19.497 1.00 0.00 C ATOM 217 CE2 PHE A 14 3.897 -6.739 -17.380 1.00 0.00 C ATOM 218 CZ PHE A 14 4.400 -7.254 -18.582 1.00 0.00 C ATOM 0 H PHE A 14 1.852 -9.360 -17.172 1.00 0.00 H new ATOM 0 HA PHE A 14 -1.021 -9.124 -16.857 1.00 0.00 H new ATOM 0 HB2 PHE A 14 -0.387 -7.107 -18.505 1.00 0.00 H new ATOM 0 HB3 PHE A 14 -0.039 -7.022 -16.789 1.00 0.00 H new ATOM 0 HD1 PHE A 14 1.499 -8.446 -19.909 1.00 0.00 H new ATOM 0 HD2 PHE A 14 2.151 -6.445 -16.166 1.00 0.00 H new ATOM 0 HE1 PHE A 14 3.920 -8.267 -20.424 1.00 0.00 H new ATOM 0 HE2 PHE A 14 4.563 -6.264 -16.675 1.00 0.00 H new ATOM 0 HZ PHE A 14 5.454 -7.177 -18.804 1.00 0.00 H new ATOM 228 N SER A 15 -1.838 -9.287 -19.316 1.00 0.00 N ATOM 229 CA SER A 15 -2.369 -9.775 -20.583 1.00 0.00 C ATOM 230 C SER A 15 -1.689 -9.074 -21.754 1.00 0.00 C ATOM 231 O SER A 15 -1.056 -8.035 -21.585 1.00 0.00 O ATOM 232 CB SER A 15 -3.873 -9.519 -20.643 1.00 0.00 C ATOM 233 OG SER A 15 -4.107 -8.199 -21.115 1.00 0.00 O ATOM 0 H SER A 15 -2.474 -8.685 -18.794 1.00 0.00 H new ATOM 0 HA SER A 15 -2.174 -10.845 -20.652 1.00 0.00 H new ATOM 0 HB2 SER A 15 -4.351 -10.243 -21.303 1.00 0.00 H new ATOM 0 HB3 SER A 15 -4.315 -9.648 -19.655 1.00 0.00 H new ATOM 0 HG SER A 15 -4.941 -7.857 -20.731 1.00 0.00 H new ATOM 239 N ARG A 16 -1.821 -9.652 -22.942 1.00 0.00 N ATOM 240 CA ARG A 16 -1.217 -9.070 -24.132 1.00 0.00 C ATOM 241 C ARG A 16 -1.932 -7.779 -24.520 1.00 0.00 C ATOM 242 O ARG A 16 -1.300 -6.806 -24.929 1.00 0.00 O ATOM 243 CB ARG A 16 -1.286 -10.064 -25.291 1.00 0.00 C ATOM 244 CG ARG A 16 -0.331 -11.228 -25.020 1.00 0.00 C ATOM 245 CD ARG A 16 -0.393 -12.221 -26.181 1.00 0.00 C ATOM 246 NE ARG A 16 -1.707 -12.850 -26.238 1.00 0.00 N ATOM 247 CZ ARG A 16 -2.062 -13.781 -25.360 1.00 0.00 C ATOM 248 NH1 ARG A 16 -1.228 -14.148 -24.425 1.00 0.00 N ATOM 249 NH2 ARG A 16 -3.244 -14.330 -25.432 1.00 0.00 N ATOM 0 H ARG A 16 -2.337 -10.517 -23.106 1.00 0.00 H new ATOM 0 HA ARG A 16 -0.174 -8.841 -23.913 1.00 0.00 H new ATOM 0 HB2 ARG A 16 -2.305 -10.434 -25.407 1.00 0.00 H new ATOM 0 HB3 ARG A 16 -1.019 -9.570 -26.225 1.00 0.00 H new ATOM 0 HG2 ARG A 16 0.687 -10.857 -24.899 1.00 0.00 H new ATOM 0 HG3 ARG A 16 -0.602 -11.725 -24.088 1.00 0.00 H new ATOM 0 HD2 ARG A 16 -0.187 -11.707 -27.120 1.00 0.00 H new ATOM 0 HD3 ARG A 16 0.377 -12.982 -26.059 1.00 0.00 H new ATOM 0 HE ARG A 16 -2.365 -12.570 -26.965 1.00 0.00 H new ATOM 0 HH11 ARG A 16 -0.304 -13.720 -24.369 1.00 0.00 H new ATOM 0 HH12 ARG A 16 -1.500 -14.863 -23.751 1.00 0.00 H new ATOM 0 HH21 ARG A 16 -3.895 -14.044 -26.163 1.00 0.00 H new ATOM 0 HH22 ARG A 16 -3.516 -15.045 -24.757 1.00 0.00 H new ATOM 263 N GLU A 17 -3.256 -7.784 -24.394 1.00 0.00 N ATOM 264 CA GLU A 17 -4.053 -6.612 -24.741 1.00 0.00 C ATOM 265 C GLU A 17 -4.005 -5.590 -23.611 1.00 0.00 C ATOM 266 O GLU A 17 -4.564 -4.499 -23.719 1.00 0.00 O ATOM 267 CB GLU A 17 -5.508 -7.026 -25.007 1.00 0.00 C ATOM 268 CG GLU A 17 -6.203 -5.965 -25.872 1.00 0.00 C ATOM 269 CD GLU A 17 -5.660 -6.029 -27.295 1.00 0.00 C ATOM 270 OE1 GLU A 17 -4.897 -6.939 -27.577 1.00 0.00 O ATOM 271 OE2 GLU A 17 -6.013 -5.168 -28.083 1.00 0.00 O ATOM 0 H GLU A 17 -3.796 -8.581 -24.057 1.00 0.00 H new ATOM 0 HA GLU A 17 -3.639 -6.162 -25.643 1.00 0.00 H new ATOM 0 HB2 GLU A 17 -5.534 -7.992 -25.510 1.00 0.00 H new ATOM 0 HB3 GLU A 17 -6.040 -7.144 -24.063 1.00 0.00 H new ATOM 0 HG2 GLU A 17 -7.280 -6.132 -25.875 1.00 0.00 H new ATOM 0 HG3 GLU A 17 -6.036 -4.973 -25.453 1.00 0.00 H new ATOM 278 N ILE A 18 -3.337 -5.953 -22.523 1.00 0.00 N ATOM 279 CA ILE A 18 -3.232 -5.064 -21.370 1.00 0.00 C ATOM 280 C ILE A 18 -2.992 -3.631 -21.817 1.00 0.00 C ATOM 281 O ILE A 18 -2.314 -3.387 -22.814 1.00 0.00 O ATOM 282 CB ILE A 18 -2.089 -5.517 -20.465 1.00 0.00 C ATOM 283 CG1 ILE A 18 -2.084 -4.682 -19.173 1.00 0.00 C ATOM 284 CG2 ILE A 18 -0.752 -5.338 -21.198 1.00 0.00 C ATOM 285 CD1 ILE A 18 -3.373 -4.927 -18.369 1.00 0.00 C ATOM 0 H ILE A 18 -2.863 -6.849 -22.414 1.00 0.00 H new ATOM 0 HA ILE A 18 -4.171 -5.106 -20.818 1.00 0.00 H new ATOM 0 HB ILE A 18 -2.227 -6.568 -20.212 1.00 0.00 H new ATOM 0 HG12 ILE A 18 -1.216 -4.943 -18.568 1.00 0.00 H new ATOM 0 HG13 ILE A 18 -1.996 -3.623 -19.417 1.00 0.00 H new ATOM 0 HG21 ILE A 18 0.064 -5.662 -20.551 1.00 0.00 H new ATOM 0 HG22 ILE A 18 -0.753 -5.937 -22.108 1.00 0.00 H new ATOM 0 HG23 ILE A 18 -0.616 -4.288 -21.455 1.00 0.00 H new ATOM 0 HD11 ILE A 18 -3.353 -4.329 -17.458 1.00 0.00 H new ATOM 0 HD12 ILE A 18 -4.237 -4.643 -18.971 1.00 0.00 H new ATOM 0 HD13 ILE A 18 -3.444 -5.983 -18.108 1.00 0.00 H new ATOM 297 N SER A 19 -3.561 -2.686 -21.079 1.00 0.00 N ATOM 298 CA SER A 19 -3.401 -1.284 -21.430 1.00 0.00 C ATOM 299 C SER A 19 -2.045 -0.750 -20.950 1.00 0.00 C ATOM 300 O SER A 19 -1.536 -1.193 -19.921 1.00 0.00 O ATOM 301 CB SER A 19 -4.520 -0.450 -20.814 1.00 0.00 C ATOM 302 OG SER A 19 -5.743 -0.759 -21.466 1.00 0.00 O ATOM 0 H SER A 19 -4.127 -2.861 -20.249 1.00 0.00 H new ATOM 0 HA SER A 19 -3.447 -1.205 -22.516 1.00 0.00 H new ATOM 0 HB2 SER A 19 -4.600 -0.658 -19.747 1.00 0.00 H new ATOM 0 HB3 SER A 19 -4.297 0.612 -20.916 1.00 0.00 H new ATOM 0 HG SER A 19 -6.467 -0.227 -21.073 1.00 0.00 H new ATOM 308 N PRO A 20 -1.460 0.199 -21.652 1.00 0.00 N ATOM 309 CA PRO A 20 -0.148 0.797 -21.251 1.00 0.00 C ATOM 310 C PRO A 20 -0.133 1.238 -19.785 1.00 0.00 C ATOM 311 O PRO A 20 0.865 1.068 -19.087 1.00 0.00 O ATOM 312 CB PRO A 20 -0.002 2.015 -22.178 1.00 0.00 C ATOM 313 CG PRO A 20 -0.837 1.708 -23.379 1.00 0.00 C ATOM 314 CD PRO A 20 -1.969 0.796 -22.904 1.00 0.00 C ATOM 0 HA PRO A 20 0.667 0.079 -21.343 1.00 0.00 H new ATOM 0 HB2 PRO A 20 -0.343 2.926 -21.686 1.00 0.00 H new ATOM 0 HB3 PRO A 20 1.040 2.174 -22.455 1.00 0.00 H new ATOM 0 HG2 PRO A 20 -1.235 2.623 -23.818 1.00 0.00 H new ATOM 0 HG3 PRO A 20 -0.242 1.218 -24.149 1.00 0.00 H new ATOM 0 HD2 PRO A 20 -2.887 1.359 -22.731 1.00 0.00 H new ATOM 0 HD3 PRO A 20 -2.199 0.030 -23.644 1.00 0.00 H new ATOM 322 N ALA A 21 -1.236 1.817 -19.330 1.00 0.00 N ATOM 323 CA ALA A 21 -1.320 2.291 -17.954 1.00 0.00 C ATOM 324 C ALA A 21 -0.982 1.178 -16.965 1.00 0.00 C ATOM 325 O ALA A 21 -0.077 1.316 -16.138 1.00 0.00 O ATOM 326 CB ALA A 21 -2.732 2.807 -17.672 1.00 0.00 C ATOM 0 H ALA A 21 -2.077 1.969 -19.886 1.00 0.00 H new ATOM 0 HA ALA A 21 -0.596 3.096 -17.828 1.00 0.00 H new ATOM 0 HB1 ALA A 21 -2.791 3.161 -16.643 1.00 0.00 H new ATOM 0 HB2 ALA A 21 -2.962 3.628 -18.351 1.00 0.00 H new ATOM 0 HB3 ALA A 21 -3.450 2.001 -17.821 1.00 0.00 H new ATOM 332 N TYR A 22 -1.711 0.073 -17.051 1.00 0.00 N ATOM 333 CA TYR A 22 -1.480 -1.048 -16.153 1.00 0.00 C ATOM 334 C TYR A 22 -0.083 -1.624 -16.365 1.00 0.00 C ATOM 335 O TYR A 22 0.694 -1.792 -15.420 1.00 0.00 O ATOM 336 CB TYR A 22 -2.534 -2.130 -16.402 1.00 0.00 C ATOM 337 CG TYR A 22 -2.367 -3.244 -15.398 1.00 0.00 C ATOM 338 CD1 TYR A 22 -1.368 -4.205 -15.580 1.00 0.00 C ATOM 339 CD2 TYR A 22 -3.212 -3.313 -14.281 1.00 0.00 C ATOM 340 CE1 TYR A 22 -1.213 -5.235 -14.648 1.00 0.00 C ATOM 341 CE2 TYR A 22 -3.055 -4.344 -13.351 1.00 0.00 C ATOM 342 CZ TYR A 22 -2.055 -5.304 -13.533 1.00 0.00 C ATOM 343 OH TYR A 22 -1.899 -6.320 -12.613 1.00 0.00 O ATOM 0 H TYR A 22 -2.461 -0.070 -17.728 1.00 0.00 H new ATOM 0 HA TYR A 22 -1.556 -0.697 -15.124 1.00 0.00 H new ATOM 0 HB2 TYR A 22 -3.534 -1.703 -16.322 1.00 0.00 H new ATOM 0 HB3 TYR A 22 -2.435 -2.522 -17.414 1.00 0.00 H new ATOM 0 HD1 TYR A 22 -0.717 -4.152 -16.440 1.00 0.00 H new ATOM 0 HD2 TYR A 22 -3.983 -2.570 -14.140 1.00 0.00 H new ATOM 0 HE1 TYR A 22 -0.442 -5.978 -14.789 1.00 0.00 H new ATOM 0 HE2 TYR A 22 -3.706 -4.399 -12.491 1.00 0.00 H new ATOM 0 HH TYR A 22 -2.564 -6.220 -11.900 1.00 0.00 H new ATOM 353 N ARG A 23 0.238 -1.916 -17.617 1.00 0.00 N ATOM 354 CA ARG A 23 1.540 -2.477 -17.940 1.00 0.00 C ATOM 355 C ARG A 23 2.652 -1.577 -17.419 1.00 0.00 C ATOM 356 O ARG A 23 3.629 -2.049 -16.833 1.00 0.00 O ATOM 357 CB ARG A 23 1.669 -2.649 -19.452 1.00 0.00 C ATOM 358 CG ARG A 23 2.884 -3.525 -19.768 1.00 0.00 C ATOM 359 CD ARG A 23 2.965 -3.772 -21.277 1.00 0.00 C ATOM 360 NE ARG A 23 4.042 -4.708 -21.582 1.00 0.00 N ATOM 361 CZ ARG A 23 5.315 -4.323 -21.558 1.00 0.00 C ATOM 362 NH1 ARG A 23 5.616 -3.090 -21.259 1.00 0.00 N ATOM 363 NH2 ARG A 23 6.261 -5.179 -21.835 1.00 0.00 N ATOM 0 H ARG A 23 -0.378 -1.775 -18.418 1.00 0.00 H new ATOM 0 HA ARG A 23 1.631 -3.451 -17.460 1.00 0.00 H new ATOM 0 HB2 ARG A 23 0.765 -3.105 -19.855 1.00 0.00 H new ATOM 0 HB3 ARG A 23 1.775 -1.676 -19.931 1.00 0.00 H new ATOM 0 HG2 ARG A 23 3.795 -3.038 -19.420 1.00 0.00 H new ATOM 0 HG3 ARG A 23 2.807 -4.474 -19.238 1.00 0.00 H new ATOM 0 HD2 ARG A 23 2.016 -4.169 -21.638 1.00 0.00 H new ATOM 0 HD3 ARG A 23 3.135 -2.830 -21.798 1.00 0.00 H new ATOM 0 HE ARG A 23 3.815 -5.674 -21.818 1.00 0.00 H new ATOM 0 HH11 ARG A 23 4.876 -2.422 -21.044 1.00 0.00 H new ATOM 0 HH12 ARG A 23 6.592 -2.793 -21.240 1.00 0.00 H new ATOM 0 HH21 ARG A 23 6.024 -6.143 -22.070 1.00 0.00 H new ATOM 0 HH22 ARG A 23 7.237 -4.884 -21.817 1.00 0.00 H new ATOM 377 N GLN A 24 2.491 -0.278 -17.627 1.00 0.00 N ATOM 378 CA GLN A 24 3.485 0.678 -17.166 1.00 0.00 C ATOM 379 C GLN A 24 3.583 0.629 -15.646 1.00 0.00 C ATOM 380 O GLN A 24 4.653 0.838 -15.078 1.00 0.00 O ATOM 381 CB GLN A 24 3.101 2.094 -17.613 1.00 0.00 C ATOM 382 CG GLN A 24 4.227 3.073 -17.275 1.00 0.00 C ATOM 383 CD GLN A 24 5.455 2.763 -18.124 1.00 0.00 C ATOM 384 OE1 GLN A 24 5.328 2.458 -19.310 1.00 0.00 O ATOM 385 NE2 GLN A 24 6.640 2.819 -17.585 1.00 0.00 N ATOM 0 H GLN A 24 1.691 0.134 -18.107 1.00 0.00 H new ATOM 0 HA GLN A 24 4.451 0.418 -17.598 1.00 0.00 H new ATOM 0 HB2 GLN A 24 2.908 2.106 -18.686 1.00 0.00 H new ATOM 0 HB3 GLN A 24 2.179 2.403 -17.120 1.00 0.00 H new ATOM 0 HG2 GLN A 24 3.898 4.096 -17.456 1.00 0.00 H new ATOM 0 HG3 GLN A 24 4.478 3.001 -16.217 1.00 0.00 H new ATOM 0 HE21 GLN A 24 6.742 3.072 -16.602 1.00 0.00 H new ATOM 0 HE22 GLN A 24 7.466 2.610 -18.146 1.00 0.00 H new ATOM 394 N LYS A 25 2.459 0.348 -14.992 1.00 0.00 N ATOM 395 CA LYS A 25 2.450 0.274 -13.538 1.00 0.00 C ATOM 396 C LYS A 25 3.425 -0.798 -13.069 1.00 0.00 C ATOM 397 O LYS A 25 4.231 -0.568 -12.169 1.00 0.00 O ATOM 398 CB LYS A 25 1.041 -0.067 -13.043 1.00 0.00 C ATOM 399 CG LYS A 25 0.920 0.260 -11.553 1.00 0.00 C ATOM 400 CD LYS A 25 -0.412 -0.276 -11.013 1.00 0.00 C ATOM 401 CE LYS A 25 -1.580 0.521 -11.605 1.00 0.00 C ATOM 402 NZ LYS A 25 -2.808 0.264 -10.803 1.00 0.00 N ATOM 0 H LYS A 25 1.559 0.171 -15.438 1.00 0.00 H new ATOM 0 HA LYS A 25 2.752 1.240 -13.133 1.00 0.00 H new ATOM 0 HB2 LYS A 25 0.300 0.497 -13.610 1.00 0.00 H new ATOM 0 HB3 LYS A 25 0.833 -1.124 -13.211 1.00 0.00 H new ATOM 0 HG2 LYS A 25 1.751 -0.184 -11.005 1.00 0.00 H new ATOM 0 HG3 LYS A 25 0.978 1.338 -11.401 1.00 0.00 H new ATOM 0 HD2 LYS A 25 -0.517 -1.331 -11.265 1.00 0.00 H new ATOM 0 HD3 LYS A 25 -0.427 -0.205 -9.925 1.00 0.00 H new ATOM 0 HE2 LYS A 25 -1.347 1.586 -11.603 1.00 0.00 H new ATOM 0 HE3 LYS A 25 -1.743 0.232 -12.643 1.00 0.00 H new ATOM 0 HZ1 LYS A 25 -3.603 0.803 -11.202 1.00 0.00 H new ATOM 0 HZ2 LYS A 25 -3.032 -0.751 -10.827 1.00 0.00 H new ATOM 0 HZ3 LYS A 25 -2.648 0.560 -9.819 1.00 0.00 H new ATOM 416 N LEU A 26 3.351 -1.965 -13.699 1.00 0.00 N ATOM 417 CA LEU A 26 4.250 -3.061 -13.343 1.00 0.00 C ATOM 418 C LEU A 26 5.688 -2.692 -13.684 1.00 0.00 C ATOM 419 O LEU A 26 6.623 -3.034 -12.959 1.00 0.00 O ATOM 420 CB LEU A 26 3.846 -4.348 -14.073 1.00 0.00 C ATOM 421 CG LEU A 26 2.679 -5.030 -13.334 1.00 0.00 C ATOM 422 CD1 LEU A 26 3.103 -5.483 -11.917 1.00 0.00 C ATOM 423 CD2 LEU A 26 1.514 -4.046 -13.243 1.00 0.00 C ATOM 0 H LEU A 26 2.690 -2.177 -14.447 1.00 0.00 H new ATOM 0 HA LEU A 26 4.175 -3.235 -12.270 1.00 0.00 H new ATOM 0 HB2 LEU A 26 3.553 -4.118 -15.097 1.00 0.00 H new ATOM 0 HB3 LEU A 26 4.697 -5.026 -14.129 1.00 0.00 H new ATOM 0 HG LEU A 26 2.378 -5.919 -13.889 1.00 0.00 H new ATOM 0 HD11 LEU A 26 2.259 -5.961 -11.420 1.00 0.00 H new ATOM 0 HD12 LEU A 26 3.928 -6.192 -11.993 1.00 0.00 H new ATOM 0 HD13 LEU A 26 3.422 -4.616 -11.338 1.00 0.00 H new ATOM 0 HD21 LEU A 26 0.680 -4.516 -12.722 1.00 0.00 H new ATOM 0 HD22 LEU A 26 1.830 -3.158 -12.696 1.00 0.00 H new ATOM 0 HD23 LEU A 26 1.200 -3.761 -14.247 1.00 0.00 H new ATOM 435 N LEU A 27 5.857 -2.007 -14.796 1.00 0.00 N ATOM 436 CA LEU A 27 7.182 -1.596 -15.222 1.00 0.00 C ATOM 437 C LEU A 27 7.690 -0.432 -14.373 1.00 0.00 C ATOM 438 O LEU A 27 8.896 -0.251 -14.210 1.00 0.00 O ATOM 439 CB LEU A 27 7.152 -1.178 -16.691 1.00 0.00 C ATOM 440 CG LEU A 27 8.585 -1.174 -17.266 1.00 0.00 C ATOM 441 CD1 LEU A 27 8.947 -2.570 -17.786 1.00 0.00 C ATOM 442 CD2 LEU A 27 8.675 -0.168 -18.420 1.00 0.00 C ATOM 0 H LEU A 27 5.100 -1.724 -15.419 1.00 0.00 H new ATOM 0 HA LEU A 27 7.857 -2.442 -15.096 1.00 0.00 H new ATOM 0 HB2 LEU A 27 6.524 -1.864 -17.260 1.00 0.00 H new ATOM 0 HB3 LEU A 27 6.710 -0.186 -16.787 1.00 0.00 H new ATOM 0 HG LEU A 27 9.281 -0.891 -16.476 1.00 0.00 H new ATOM 0 HD11 LEU A 27 9.959 -2.557 -18.189 1.00 0.00 H new ATOM 0 HD12 LEU A 27 8.892 -3.289 -16.968 1.00 0.00 H new ATOM 0 HD13 LEU A 27 8.248 -2.859 -18.571 1.00 0.00 H new ATOM 0 HD21 LEU A 27 9.687 -0.167 -18.824 1.00 0.00 H new ATOM 0 HD22 LEU A 27 7.972 -0.450 -19.204 1.00 0.00 H new ATOM 0 HD23 LEU A 27 8.430 0.829 -18.054 1.00 0.00 H new ATOM 454 N SER A 28 6.762 0.368 -13.862 1.00 0.00 N ATOM 455 CA SER A 28 7.131 1.532 -13.061 1.00 0.00 C ATOM 456 C SER A 28 7.973 1.124 -11.858 1.00 0.00 C ATOM 457 O SER A 28 8.981 1.761 -11.546 1.00 0.00 O ATOM 458 CB SER A 28 5.865 2.241 -12.575 1.00 0.00 C ATOM 459 OG SER A 28 5.135 2.721 -13.695 1.00 0.00 O ATOM 0 H SER A 28 5.758 0.236 -13.985 1.00 0.00 H new ATOM 0 HA SER A 28 7.720 2.204 -13.685 1.00 0.00 H new ATOM 0 HB2 SER A 28 5.250 1.554 -11.993 1.00 0.00 H new ATOM 0 HB3 SER A 28 6.128 3.069 -11.916 1.00 0.00 H new ATOM 0 HG SER A 28 5.309 2.146 -14.469 1.00 0.00 H new ATOM 465 N LEU A 29 7.552 0.058 -11.183 1.00 0.00 N ATOM 466 CA LEU A 29 8.256 -0.448 -10.002 1.00 0.00 C ATOM 467 C LEU A 29 8.831 -1.834 -10.287 1.00 0.00 C ATOM 468 O LEU A 29 8.314 -2.574 -11.124 1.00 0.00 O ATOM 469 CB LEU A 29 7.295 -0.509 -8.794 1.00 0.00 C ATOM 470 CG LEU A 29 5.859 -0.759 -9.277 1.00 0.00 C ATOM 471 CD1 LEU A 29 5.788 -2.085 -10.052 1.00 0.00 C ATOM 472 CD2 LEU A 29 4.925 -0.815 -8.064 1.00 0.00 C ATOM 0 H LEU A 29 6.721 -0.477 -11.434 1.00 0.00 H new ATOM 0 HA LEU A 29 9.075 0.231 -9.764 1.00 0.00 H new ATOM 0 HB2 LEU A 29 7.602 -1.304 -8.114 1.00 0.00 H new ATOM 0 HB3 LEU A 29 7.342 0.425 -8.234 1.00 0.00 H new ATOM 0 HG LEU A 29 5.552 0.050 -9.939 1.00 0.00 H new ATOM 0 HD11 LEU A 29 4.766 -2.254 -10.391 1.00 0.00 H new ATOM 0 HD12 LEU A 29 6.453 -2.038 -10.914 1.00 0.00 H new ATOM 0 HD13 LEU A 29 6.095 -2.904 -9.401 1.00 0.00 H new ATOM 0 HD21 LEU A 29 3.903 -0.992 -8.399 1.00 0.00 H new ATOM 0 HD22 LEU A 29 5.235 -1.624 -7.403 1.00 0.00 H new ATOM 0 HD23 LEU A 29 4.971 0.132 -7.525 1.00 0.00 H new ATOM 484 N GLY A 30 9.905 -2.172 -9.584 1.00 0.00 N ATOM 485 CA GLY A 30 10.551 -3.466 -9.762 1.00 0.00 C ATOM 486 C GLY A 30 9.603 -4.609 -9.407 1.00 0.00 C ATOM 487 O GLY A 30 9.764 -5.731 -9.885 1.00 0.00 O ATOM 0 H GLY A 30 10.346 -1.570 -8.888 1.00 0.00 H new ATOM 0 HA2 GLY A 30 10.881 -3.572 -10.795 1.00 0.00 H new ATOM 0 HA3 GLY A 30 11.441 -3.520 -9.136 1.00 0.00 H new ATOM 491 N MET A 31 8.621 -4.313 -8.560 1.00 0.00 N ATOM 492 CA MET A 31 7.651 -5.317 -8.134 1.00 0.00 C ATOM 493 C MET A 31 6.885 -5.840 -9.334 1.00 0.00 C ATOM 494 O MET A 31 5.718 -5.506 -9.535 1.00 0.00 O ATOM 495 CB MET A 31 6.666 -4.707 -7.134 1.00 0.00 C ATOM 496 CG MET A 31 7.397 -4.390 -5.832 1.00 0.00 C ATOM 497 SD MET A 31 6.236 -3.654 -4.655 1.00 0.00 S ATOM 498 CE MET A 31 7.456 -3.162 -3.412 1.00 0.00 C ATOM 0 H MET A 31 8.476 -3.388 -8.156 1.00 0.00 H new ATOM 0 HA MET A 31 8.187 -6.138 -7.658 1.00 0.00 H new ATOM 0 HB2 MET A 31 6.226 -3.799 -7.547 1.00 0.00 H new ATOM 0 HB3 MET A 31 5.847 -5.400 -6.944 1.00 0.00 H new ATOM 0 HG2 MET A 31 7.829 -5.299 -5.414 1.00 0.00 H new ATOM 0 HG3 MET A 31 8.222 -3.704 -6.023 1.00 0.00 H new ATOM 0 HE1 MET A 31 6.950 -2.677 -2.577 1.00 0.00 H new ATOM 0 HE2 MET A 31 7.985 -4.044 -3.052 1.00 0.00 H new ATOM 0 HE3 MET A 31 8.169 -2.468 -3.857 1.00 0.00 H new ATOM 508 N LEU A 32 7.550 -6.657 -10.140 1.00 0.00 N ATOM 509 CA LEU A 32 6.924 -7.208 -11.334 1.00 0.00 C ATOM 510 C LEU A 32 6.162 -8.492 -11.005 1.00 0.00 C ATOM 511 O LEU A 32 6.299 -9.041 -9.910 1.00 0.00 O ATOM 512 CB LEU A 32 8.018 -7.463 -12.403 1.00 0.00 C ATOM 513 CG LEU A 32 7.860 -6.482 -13.593 1.00 0.00 C ATOM 514 CD1 LEU A 32 8.542 -5.162 -13.243 1.00 0.00 C ATOM 515 CD2 LEU A 32 8.498 -7.075 -14.853 1.00 0.00 C ATOM 0 H LEU A 32 8.515 -6.951 -9.991 1.00 0.00 H new ATOM 0 HA LEU A 32 6.199 -6.495 -11.727 1.00 0.00 H new ATOM 0 HB2 LEU A 32 9.005 -7.344 -11.956 1.00 0.00 H new ATOM 0 HB3 LEU A 32 7.951 -8.490 -12.761 1.00 0.00 H new ATOM 0 HG LEU A 32 6.801 -6.312 -13.784 1.00 0.00 H new ATOM 0 HD11 LEU A 32 8.436 -4.466 -14.075 1.00 0.00 H new ATOM 0 HD12 LEU A 32 8.078 -4.737 -12.353 1.00 0.00 H new ATOM 0 HD13 LEU A 32 9.600 -5.339 -13.051 1.00 0.00 H new ATOM 0 HD21 LEU A 32 8.381 -6.378 -15.683 1.00 0.00 H new ATOM 0 HD22 LEU A 32 9.559 -7.253 -14.675 1.00 0.00 H new ATOM 0 HD23 LEU A 32 8.009 -8.017 -15.100 1.00 0.00 H new ATOM 527 N PRO A 33 5.363 -8.970 -11.930 1.00 0.00 N ATOM 528 CA PRO A 33 4.569 -10.213 -11.730 1.00 0.00 C ATOM 529 C PRO A 33 5.411 -11.339 -11.141 1.00 0.00 C ATOM 530 O PRO A 33 6.599 -11.169 -10.865 1.00 0.00 O ATOM 531 CB PRO A 33 4.086 -10.570 -13.143 1.00 0.00 C ATOM 532 CG PRO A 33 4.051 -9.276 -13.890 1.00 0.00 C ATOM 533 CD PRO A 33 5.125 -8.380 -13.267 1.00 0.00 C ATOM 0 HA PRO A 33 3.752 -10.069 -11.022 1.00 0.00 H new ATOM 0 HB2 PRO A 33 4.760 -11.281 -13.621 1.00 0.00 H new ATOM 0 HB3 PRO A 33 3.100 -11.034 -13.115 1.00 0.00 H new ATOM 0 HG2 PRO A 33 4.247 -9.436 -14.950 1.00 0.00 H new ATOM 0 HG3 PRO A 33 3.068 -8.812 -13.814 1.00 0.00 H new ATOM 0 HD2 PRO A 33 6.035 -8.374 -13.867 1.00 0.00 H new ATOM 0 HD3 PRO A 33 4.786 -7.347 -13.191 1.00 0.00 H new ATOM 541 N GLY A 34 4.784 -12.493 -10.959 1.00 0.00 N ATOM 542 CA GLY A 34 5.467 -13.659 -10.409 1.00 0.00 C ATOM 543 C GLY A 34 5.041 -13.906 -8.966 1.00 0.00 C ATOM 544 O GLY A 34 5.327 -14.959 -8.395 1.00 0.00 O ATOM 0 H GLY A 34 3.801 -12.648 -11.184 1.00 0.00 H new ATOM 0 HA2 GLY A 34 5.242 -14.537 -11.015 1.00 0.00 H new ATOM 0 HA3 GLY A 34 6.546 -13.509 -10.454 1.00 0.00 H new ATOM 548 N SER A 35 4.347 -12.929 -8.381 1.00 0.00 N ATOM 549 CA SER A 35 3.868 -13.043 -7.004 1.00 0.00 C ATOM 550 C SER A 35 2.391 -13.414 -6.989 1.00 0.00 C ATOM 551 O SER A 35 1.805 -13.724 -8.026 1.00 0.00 O ATOM 552 CB SER A 35 4.072 -11.720 -6.265 1.00 0.00 C ATOM 553 OG SER A 35 5.462 -11.424 -6.213 1.00 0.00 O ATOM 0 H SER A 35 4.104 -12.051 -8.839 1.00 0.00 H new ATOM 0 HA SER A 35 4.437 -13.826 -6.502 1.00 0.00 H new ATOM 0 HB2 SER A 35 3.536 -10.919 -6.774 1.00 0.00 H new ATOM 0 HB3 SER A 35 3.664 -11.786 -5.256 1.00 0.00 H new ATOM 0 HG SER A 35 5.598 -10.576 -5.742 1.00 0.00 H new ATOM 559 N SER A 36 1.790 -13.384 -5.800 1.00 0.00 N ATOM 560 CA SER A 36 0.375 -13.720 -5.643 1.00 0.00 C ATOM 561 C SER A 36 -0.340 -12.644 -4.843 1.00 0.00 C ATOM 562 O SER A 36 0.286 -11.897 -4.090 1.00 0.00 O ATOM 563 CB SER A 36 0.234 -15.066 -4.931 1.00 0.00 C ATOM 564 OG SER A 36 0.772 -16.091 -5.756 1.00 0.00 O ATOM 0 H SER A 36 2.261 -13.131 -4.931 1.00 0.00 H new ATOM 0 HA SER A 36 -0.078 -13.784 -6.633 1.00 0.00 H new ATOM 0 HB2 SER A 36 0.756 -15.041 -3.975 1.00 0.00 H new ATOM 0 HB3 SER A 36 -0.815 -15.269 -4.716 1.00 0.00 H new ATOM 0 HG SER A 36 0.685 -16.955 -5.302 1.00 0.00 H new ATOM 570 N PHE A 37 -1.658 -12.567 -5.009 1.00 0.00 N ATOM 571 CA PHE A 37 -2.461 -11.576 -4.300 1.00 0.00 C ATOM 572 C PHE A 37 -3.762 -12.204 -3.811 1.00 0.00 C ATOM 573 O PHE A 37 -4.209 -13.227 -4.334 1.00 0.00 O ATOM 574 CB PHE A 37 -2.779 -10.397 -5.230 1.00 0.00 C ATOM 575 CG PHE A 37 -3.759 -10.833 -6.293 1.00 0.00 C ATOM 576 CD1 PHE A 37 -5.132 -10.723 -6.050 1.00 0.00 C ATOM 577 CD2 PHE A 37 -3.302 -11.348 -7.511 1.00 0.00 C ATOM 578 CE1 PHE A 37 -6.049 -11.128 -7.025 1.00 0.00 C ATOM 579 CE2 PHE A 37 -4.219 -11.753 -8.488 1.00 0.00 C ATOM 580 CZ PHE A 37 -5.593 -11.643 -8.242 1.00 0.00 C ATOM 0 H PHE A 37 -2.191 -13.178 -5.627 1.00 0.00 H new ATOM 0 HA PHE A 37 -1.893 -11.217 -3.442 1.00 0.00 H new ATOM 0 HB2 PHE A 37 -3.196 -9.571 -4.655 1.00 0.00 H new ATOM 0 HB3 PHE A 37 -1.863 -10.031 -5.695 1.00 0.00 H new ATOM 0 HD1 PHE A 37 -5.484 -10.325 -5.110 1.00 0.00 H new ATOM 0 HD2 PHE A 37 -2.242 -11.433 -7.697 1.00 0.00 H new ATOM 0 HE1 PHE A 37 -7.109 -11.043 -6.838 1.00 0.00 H new ATOM 0 HE2 PHE A 37 -3.868 -12.149 -9.429 1.00 0.00 H new ATOM 0 HZ PHE A 37 -6.302 -11.957 -8.994 1.00 0.00 H new ATOM 590 N ASN A 38 -4.366 -11.580 -2.799 1.00 0.00 N ATOM 591 CA ASN A 38 -5.621 -12.070 -2.230 1.00 0.00 C ATOM 592 C ASN A 38 -6.759 -11.099 -2.527 1.00 0.00 C ATOM 593 O ASN A 38 -6.567 -9.877 -2.559 1.00 0.00 O ATOM 594 CB ASN A 38 -5.473 -12.244 -0.720 1.00 0.00 C ATOM 595 CG ASN A 38 -4.442 -13.328 -0.419 1.00 0.00 C ATOM 596 OD1 ASN A 38 -3.926 -13.400 0.696 1.00 0.00 O ATOM 597 ND2 ASN A 38 -4.101 -14.175 -1.354 1.00 0.00 N ATOM 0 H ASN A 38 -4.006 -10.734 -2.357 1.00 0.00 H new ATOM 0 HA ASN A 38 -5.855 -13.033 -2.684 1.00 0.00 H new ATOM 0 HB2 ASN A 38 -5.166 -11.302 -0.265 1.00 0.00 H new ATOM 0 HB3 ASN A 38 -6.434 -12.512 -0.280 1.00 0.00 H new ATOM 0 HD21 ASN A 38 -3.407 -14.897 -1.160 1.00 0.00 H new ATOM 0 HD22 ASN A 38 -4.529 -14.115 -2.278 1.00 0.00 H new ATOM 604 N VAL A 39 -7.949 -11.651 -2.744 1.00 0.00 N ATOM 605 CA VAL A 39 -9.117 -10.831 -3.041 1.00 0.00 C ATOM 606 C VAL A 39 -9.829 -10.446 -1.751 1.00 0.00 C ATOM 607 O VAL A 39 -10.205 -11.307 -0.956 1.00 0.00 O ATOM 608 CB VAL A 39 -10.085 -11.606 -3.938 1.00 0.00 C ATOM 609 CG1 VAL A 39 -11.278 -10.715 -4.289 1.00 0.00 C ATOM 610 CG2 VAL A 39 -9.368 -12.034 -5.223 1.00 0.00 C ATOM 0 H VAL A 39 -8.129 -12.655 -2.720 1.00 0.00 H new ATOM 0 HA VAL A 39 -8.787 -9.928 -3.555 1.00 0.00 H new ATOM 0 HB VAL A 39 -10.436 -12.493 -3.410 1.00 0.00 H new ATOM 0 HG11 VAL A 39 -11.968 -11.266 -4.928 1.00 0.00 H new ATOM 0 HG12 VAL A 39 -11.790 -10.416 -3.375 1.00 0.00 H new ATOM 0 HG13 VAL A 39 -10.927 -9.827 -4.815 1.00 0.00 H new ATOM 0 HG21 VAL A 39 -10.060 -12.586 -5.859 1.00 0.00 H new ATOM 0 HG22 VAL A 39 -9.013 -11.150 -5.753 1.00 0.00 H new ATOM 0 HG23 VAL A 39 -8.520 -12.671 -4.972 1.00 0.00 H new ATOM 620 N VAL A 40 -10.011 -9.147 -1.550 1.00 0.00 N ATOM 621 CA VAL A 40 -10.686 -8.656 -0.356 1.00 0.00 C ATOM 622 C VAL A 40 -12.167 -9.025 -0.372 1.00 0.00 C ATOM 623 O VAL A 40 -12.735 -9.394 0.655 1.00 0.00 O ATOM 624 CB VAL A 40 -10.509 -7.131 -0.248 1.00 0.00 C ATOM 625 CG1 VAL A 40 -10.775 -6.478 -1.609 1.00 0.00 C ATOM 626 CG2 VAL A 40 -11.484 -6.560 0.795 1.00 0.00 C ATOM 0 H VAL A 40 -9.703 -8.419 -2.194 1.00 0.00 H new ATOM 0 HA VAL A 40 -10.236 -9.129 0.517 1.00 0.00 H new ATOM 0 HB VAL A 40 -9.486 -6.916 0.062 1.00 0.00 H new ATOM 0 HG11 VAL A 40 -10.648 -5.399 -1.526 1.00 0.00 H new ATOM 0 HG12 VAL A 40 -10.072 -6.870 -2.344 1.00 0.00 H new ATOM 0 HG13 VAL A 40 -11.794 -6.700 -1.926 1.00 0.00 H new ATOM 0 HG21 VAL A 40 -11.351 -5.480 0.864 1.00 0.00 H new ATOM 0 HG22 VAL A 40 -12.508 -6.781 0.495 1.00 0.00 H new ATOM 0 HG23 VAL A 40 -11.284 -7.013 1.766 1.00 0.00 H new ATOM 636 N ARG A 41 -12.787 -8.900 -1.539 1.00 0.00 N ATOM 637 CA ARG A 41 -14.204 -9.199 -1.678 1.00 0.00 C ATOM 638 C ARG A 41 -14.614 -9.122 -3.141 1.00 0.00 C ATOM 639 O ARG A 41 -13.897 -8.555 -3.967 1.00 0.00 O ATOM 640 CB ARG A 41 -15.026 -8.197 -0.859 1.00 0.00 C ATOM 641 CG ARG A 41 -14.883 -6.792 -1.457 1.00 0.00 C ATOM 642 CD ARG A 41 -15.570 -5.780 -0.540 1.00 0.00 C ATOM 643 NE ARG A 41 -15.454 -4.437 -1.102 1.00 0.00 N ATOM 644 CZ ARG A 41 -16.340 -3.974 -1.979 1.00 0.00 C ATOM 645 NH1 ARG A 41 -17.337 -4.727 -2.359 1.00 0.00 N ATOM 646 NH2 ARG A 41 -16.211 -2.769 -2.464 1.00 0.00 N ATOM 0 H ARG A 41 -12.332 -8.595 -2.399 1.00 0.00 H new ATOM 0 HA ARG A 41 -14.391 -10.208 -1.310 1.00 0.00 H new ATOM 0 HB2 ARG A 41 -16.075 -8.494 -0.852 1.00 0.00 H new ATOM 0 HB3 ARG A 41 -14.688 -8.197 0.177 1.00 0.00 H new ATOM 0 HG2 ARG A 41 -13.829 -6.539 -1.572 1.00 0.00 H new ATOM 0 HG3 ARG A 41 -15.329 -6.760 -2.451 1.00 0.00 H new ATOM 0 HD2 ARG A 41 -16.621 -6.042 -0.418 1.00 0.00 H new ATOM 0 HD3 ARG A 41 -15.117 -5.809 0.451 1.00 0.00 H new ATOM 0 HE ARG A 41 -14.677 -3.842 -0.816 1.00 0.00 H new ATOM 0 HH11 ARG A 41 -17.436 -5.670 -1.983 1.00 0.00 H new ATOM 0 HH12 ARG A 41 -18.017 -4.372 -3.032 1.00 0.00 H new ATOM 0 HH21 ARG A 41 -15.430 -2.182 -2.170 1.00 0.00 H new ATOM 0 HH22 ARG A 41 -16.891 -2.414 -3.137 1.00 0.00 H new ATOM 660 N VAL A 42 -15.777 -9.678 -3.455 1.00 0.00 N ATOM 661 CA VAL A 42 -16.288 -9.655 -4.823 1.00 0.00 C ATOM 662 C VAL A 42 -17.765 -9.303 -4.821 1.00 0.00 C ATOM 663 O VAL A 42 -18.566 -9.962 -4.159 1.00 0.00 O ATOM 664 CB VAL A 42 -16.080 -11.020 -5.480 1.00 0.00 C ATOM 665 CG1 VAL A 42 -14.580 -11.289 -5.595 1.00 0.00 C ATOM 666 CG2 VAL A 42 -16.733 -12.116 -4.628 1.00 0.00 C ATOM 0 H VAL A 42 -16.384 -10.150 -2.785 1.00 0.00 H new ATOM 0 HA VAL A 42 -15.744 -8.900 -5.391 1.00 0.00 H new ATOM 0 HB VAL A 42 -16.537 -11.022 -6.470 1.00 0.00 H new ATOM 0 HG11 VAL A 42 -14.419 -12.260 -6.062 1.00 0.00 H new ATOM 0 HG12 VAL A 42 -14.117 -10.512 -6.204 1.00 0.00 H new ATOM 0 HG13 VAL A 42 -14.133 -11.286 -4.601 1.00 0.00 H new ATOM 0 HG21 VAL A 42 -16.580 -13.085 -5.103 1.00 0.00 H new ATOM 0 HG22 VAL A 42 -16.282 -12.123 -3.636 1.00 0.00 H new ATOM 0 HG23 VAL A 42 -17.801 -11.920 -4.539 1.00 0.00 H new ATOM 676 N ALA A 43 -18.130 -8.255 -5.555 1.00 0.00 N ATOM 677 CA ALA A 43 -19.528 -7.834 -5.618 1.00 0.00 C ATOM 678 C ALA A 43 -20.228 -8.447 -6.848 1.00 0.00 C ATOM 679 O ALA A 43 -19.929 -8.062 -7.979 1.00 0.00 O ATOM 680 CB ALA A 43 -19.613 -6.309 -5.692 1.00 0.00 C ATOM 0 H ALA A 43 -17.487 -7.688 -6.108 1.00 0.00 H new ATOM 0 HA ALA A 43 -20.030 -8.184 -4.716 1.00 0.00 H new ATOM 0 HB1 ALA A 43 -20.659 -6.005 -5.739 1.00 0.00 H new ATOM 0 HB2 ALA A 43 -19.148 -5.875 -4.807 1.00 0.00 H new ATOM 0 HB3 ALA A 43 -19.093 -5.958 -6.584 1.00 0.00 H new ATOM 686 N PRO A 44 -21.152 -9.372 -6.667 1.00 0.00 N ATOM 687 CA PRO A 44 -21.889 -10.011 -7.798 1.00 0.00 C ATOM 688 C PRO A 44 -22.967 -9.092 -8.378 1.00 0.00 C ATOM 689 O PRO A 44 -23.537 -9.375 -9.431 1.00 0.00 O ATOM 690 CB PRO A 44 -22.493 -11.273 -7.173 1.00 0.00 C ATOM 691 CG PRO A 44 -22.668 -10.952 -5.722 1.00 0.00 C ATOM 692 CD PRO A 44 -21.602 -9.907 -5.367 1.00 0.00 C ATOM 0 HA PRO A 44 -21.238 -10.231 -8.644 1.00 0.00 H new ATOM 0 HB2 PRO A 44 -23.446 -11.524 -7.638 1.00 0.00 H new ATOM 0 HB3 PRO A 44 -21.836 -12.132 -7.309 1.00 0.00 H new ATOM 0 HG2 PRO A 44 -23.668 -10.564 -5.530 1.00 0.00 H new ATOM 0 HG3 PRO A 44 -22.550 -11.847 -5.111 1.00 0.00 H new ATOM 0 HD2 PRO A 44 -22.014 -9.119 -4.736 1.00 0.00 H new ATOM 0 HD3 PRO A 44 -20.775 -10.356 -4.816 1.00 0.00 H new ATOM 700 N LEU A 45 -23.258 -8.009 -7.666 1.00 0.00 N ATOM 701 CA LEU A 45 -24.295 -7.078 -8.103 1.00 0.00 C ATOM 702 C LEU A 45 -23.947 -6.487 -9.464 1.00 0.00 C ATOM 703 O LEU A 45 -24.835 -6.195 -10.267 1.00 0.00 O ATOM 704 CB LEU A 45 -24.445 -5.949 -7.071 1.00 0.00 C ATOM 705 CG LEU A 45 -25.319 -6.422 -5.907 1.00 0.00 C ATOM 706 CD1 LEU A 45 -24.653 -7.616 -5.223 1.00 0.00 C ATOM 707 CD2 LEU A 45 -25.480 -5.281 -4.899 1.00 0.00 C ATOM 0 H LEU A 45 -22.797 -7.755 -6.793 1.00 0.00 H new ATOM 0 HA LEU A 45 -25.236 -7.621 -8.190 1.00 0.00 H new ATOM 0 HB2 LEU A 45 -23.464 -5.648 -6.702 1.00 0.00 H new ATOM 0 HB3 LEU A 45 -24.892 -5.072 -7.540 1.00 0.00 H new ATOM 0 HG LEU A 45 -26.298 -6.719 -6.282 1.00 0.00 H new ATOM 0 HD11 LEU A 45 -25.275 -7.954 -4.394 1.00 0.00 H new ATOM 0 HD12 LEU A 45 -24.534 -8.427 -5.941 1.00 0.00 H new ATOM 0 HD13 LEU A 45 -23.674 -7.320 -4.845 1.00 0.00 H new ATOM 0 HD21 LEU A 45 -26.102 -5.614 -4.068 1.00 0.00 H new ATOM 0 HD22 LEU A 45 -24.500 -4.987 -4.523 1.00 0.00 H new ATOM 0 HD23 LEU A 45 -25.953 -4.428 -5.387 1.00 0.00 H new ATOM 719 N GLY A 46 -22.656 -6.317 -9.725 1.00 0.00 N ATOM 720 CA GLY A 46 -22.205 -5.764 -11.001 1.00 0.00 C ATOM 721 C GLY A 46 -21.122 -4.720 -10.780 1.00 0.00 C ATOM 722 O GLY A 46 -20.892 -3.864 -11.633 1.00 0.00 O ATOM 0 H GLY A 46 -21.905 -6.552 -9.076 1.00 0.00 H new ATOM 0 HA2 GLY A 46 -21.822 -6.564 -11.635 1.00 0.00 H new ATOM 0 HA3 GLY A 46 -23.048 -5.316 -11.527 1.00 0.00 H new ATOM 726 N ASP A 47 -20.455 -4.792 -9.631 1.00 0.00 N ATOM 727 CA ASP A 47 -19.396 -3.839 -9.312 1.00 0.00 C ATOM 728 C ASP A 47 -18.032 -4.440 -9.656 1.00 0.00 C ATOM 729 O ASP A 47 -17.891 -5.657 -9.780 1.00 0.00 O ATOM 730 CB ASP A 47 -19.466 -3.463 -7.808 1.00 0.00 C ATOM 731 CG ASP A 47 -20.046 -2.060 -7.623 1.00 0.00 C ATOM 732 OD1 ASP A 47 -21.103 -1.803 -8.173 1.00 0.00 O ATOM 733 OD2 ASP A 47 -19.420 -1.264 -6.942 1.00 0.00 O ATOM 0 H ASP A 47 -20.627 -5.494 -8.911 1.00 0.00 H new ATOM 0 HA ASP A 47 -19.533 -2.934 -9.904 1.00 0.00 H new ATOM 0 HB2 ASP A 47 -20.081 -4.188 -7.276 1.00 0.00 H new ATOM 0 HB3 ASP A 47 -18.469 -3.509 -7.371 1.00 0.00 H new ATOM 738 N PRO A 48 -17.037 -3.607 -9.813 1.00 0.00 N ATOM 739 CA PRO A 48 -15.654 -4.055 -10.149 1.00 0.00 C ATOM 740 C PRO A 48 -15.099 -5.017 -9.101 1.00 0.00 C ATOM 741 O PRO A 48 -15.684 -5.194 -8.032 1.00 0.00 O ATOM 742 CB PRO A 48 -14.836 -2.745 -10.196 1.00 0.00 C ATOM 743 CG PRO A 48 -15.664 -1.740 -9.454 1.00 0.00 C ATOM 744 CD PRO A 48 -17.112 -2.142 -9.695 1.00 0.00 C ATOM 0 HA PRO A 48 -15.618 -4.607 -11.088 1.00 0.00 H new ATOM 0 HB2 PRO A 48 -13.860 -2.873 -9.729 1.00 0.00 H new ATOM 0 HB3 PRO A 48 -14.659 -2.428 -11.224 1.00 0.00 H new ATOM 0 HG2 PRO A 48 -15.428 -1.747 -8.390 1.00 0.00 H new ATOM 0 HG3 PRO A 48 -15.472 -0.730 -9.817 1.00 0.00 H new ATOM 0 HD2 PRO A 48 -17.757 -1.837 -8.871 1.00 0.00 H new ATOM 0 HD3 PRO A 48 -17.512 -1.685 -10.600 1.00 0.00 H new ATOM 752 N ILE A 49 -13.971 -5.643 -9.424 1.00 0.00 N ATOM 753 CA ILE A 49 -13.347 -6.598 -8.514 1.00 0.00 C ATOM 754 C ILE A 49 -12.306 -5.895 -7.657 1.00 0.00 C ATOM 755 O ILE A 49 -11.286 -5.421 -8.159 1.00 0.00 O ATOM 756 CB ILE A 49 -12.672 -7.719 -9.321 1.00 0.00 C ATOM 757 CG1 ILE A 49 -13.568 -8.081 -10.509 1.00 0.00 C ATOM 758 CG2 ILE A 49 -12.459 -8.950 -8.433 1.00 0.00 C ATOM 759 CD1 ILE A 49 -14.965 -8.486 -10.027 1.00 0.00 C ATOM 0 H ILE A 49 -13.473 -5.507 -10.304 1.00 0.00 H new ATOM 0 HA ILE A 49 -14.115 -7.025 -7.869 1.00 0.00 H new ATOM 0 HB ILE A 49 -11.701 -7.379 -9.681 1.00 0.00 H new ATOM 0 HG12 ILE A 49 -13.644 -7.231 -11.187 1.00 0.00 H new ATOM 0 HG13 ILE A 49 -13.120 -8.899 -11.073 1.00 0.00 H new ATOM 0 HG21 ILE A 49 -11.980 -9.739 -9.013 1.00 0.00 H new ATOM 0 HG22 ILE A 49 -11.823 -8.684 -7.589 1.00 0.00 H new ATOM 0 HG23 ILE A 49 -13.422 -9.304 -8.065 1.00 0.00 H new ATOM 0 HD11 ILE A 49 -15.587 -8.740 -10.886 1.00 0.00 H new ATOM 0 HD12 ILE A 49 -14.886 -9.351 -9.368 1.00 0.00 H new ATOM 0 HD13 ILE A 49 -15.417 -7.656 -9.484 1.00 0.00 H new ATOM 771 N HIS A 50 -12.570 -5.840 -6.358 1.00 0.00 N ATOM 772 CA HIS A 50 -11.653 -5.199 -5.421 1.00 0.00 C ATOM 773 C HIS A 50 -10.673 -6.224 -4.875 1.00 0.00 C ATOM 774 O HIS A 50 -11.075 -7.235 -4.299 1.00 0.00 O ATOM 775 CB HIS A 50 -12.434 -4.576 -4.264 1.00 0.00 C ATOM 776 CG HIS A 50 -13.240 -3.413 -4.773 1.00 0.00 C ATOM 777 ND1 HIS A 50 -13.551 -2.325 -3.974 1.00 0.00 N ATOM 778 CD2 HIS A 50 -13.801 -3.151 -5.998 1.00 0.00 C ATOM 779 CE1 HIS A 50 -14.267 -1.465 -4.721 1.00 0.00 C ATOM 780 NE2 HIS A 50 -14.448 -1.921 -5.963 1.00 0.00 N ATOM 0 H HIS A 50 -13.409 -6.230 -5.929 1.00 0.00 H new ATOM 0 HA HIS A 50 -11.105 -4.417 -5.946 1.00 0.00 H new ATOM 0 HB2 HIS A 50 -13.092 -5.319 -3.813 1.00 0.00 H new ATOM 0 HB3 HIS A 50 -11.748 -4.244 -3.485 1.00 0.00 H new ATOM 0 HD1 HIS A 50 -13.286 -2.199 -2.997 1.00 0.00 H new ATOM 0 HD2 HIS A 50 -13.748 -3.802 -6.858 1.00 0.00 H new ATOM 0 HE1 HIS A 50 -14.649 -0.521 -4.360 1.00 0.00 H new ATOM 788 N ILE A 51 -9.381 -5.958 -5.060 1.00 0.00 N ATOM 789 CA ILE A 51 -8.335 -6.861 -4.584 1.00 0.00 C ATOM 790 C ILE A 51 -7.348 -6.107 -3.703 1.00 0.00 C ATOM 791 O ILE A 51 -7.085 -4.921 -3.918 1.00 0.00 O ATOM 792 CB ILE A 51 -7.601 -7.487 -5.776 1.00 0.00 C ATOM 793 CG1 ILE A 51 -6.974 -6.384 -6.641 1.00 0.00 C ATOM 794 CG2 ILE A 51 -8.594 -8.288 -6.622 1.00 0.00 C ATOM 795 CD1 ILE A 51 -6.115 -7.020 -7.734 1.00 0.00 C ATOM 0 H ILE A 51 -9.034 -5.125 -5.536 1.00 0.00 H new ATOM 0 HA ILE A 51 -8.797 -7.653 -3.995 1.00 0.00 H new ATOM 0 HB ILE A 51 -6.816 -8.146 -5.406 1.00 0.00 H new ATOM 0 HG12 ILE A 51 -7.755 -5.770 -7.089 1.00 0.00 H new ATOM 0 HG13 ILE A 51 -6.365 -5.724 -6.023 1.00 0.00 H new ATOM 0 HG21 ILE A 51 -8.073 -8.733 -7.470 1.00 0.00 H new ATOM 0 HG22 ILE A 51 -9.037 -9.076 -6.014 1.00 0.00 H new ATOM 0 HG23 ILE A 51 -9.379 -7.625 -6.986 1.00 0.00 H new ATOM 0 HD11 ILE A 51 -5.670 -6.237 -8.348 1.00 0.00 H new ATOM 0 HD12 ILE A 51 -5.325 -7.615 -7.276 1.00 0.00 H new ATOM 0 HD13 ILE A 51 -6.737 -7.662 -8.358 1.00 0.00 H new ATOM 807 N GLU A 52 -6.793 -6.800 -2.709 1.00 0.00 N ATOM 808 CA GLU A 52 -5.828 -6.185 -1.797 1.00 0.00 C ATOM 809 C GLU A 52 -4.563 -7.025 -1.724 1.00 0.00 C ATOM 810 O GLU A 52 -4.625 -8.235 -1.514 1.00 0.00 O ATOM 811 CB GLU A 52 -6.441 -6.062 -0.401 1.00 0.00 C ATOM 812 CG GLU A 52 -7.608 -5.072 -0.437 1.00 0.00 C ATOM 813 CD GLU A 52 -7.095 -3.666 -0.728 1.00 0.00 C ATOM 814 OE1 GLU A 52 -5.915 -3.435 -0.523 1.00 0.00 O ATOM 815 OE2 GLU A 52 -7.890 -2.844 -1.149 1.00 0.00 O ATOM 0 H GLU A 52 -6.993 -7.781 -2.515 1.00 0.00 H new ATOM 0 HA GLU A 52 -5.575 -5.193 -2.172 1.00 0.00 H new ATOM 0 HB2 GLU A 52 -6.788 -7.037 -0.058 1.00 0.00 H new ATOM 0 HB3 GLU A 52 -5.687 -5.725 0.310 1.00 0.00 H new ATOM 0 HG2 GLU A 52 -8.325 -5.371 -1.201 1.00 0.00 H new ATOM 0 HG3 GLU A 52 -8.135 -5.085 0.517 1.00 0.00 H new ATOM 822 N THR A 53 -3.414 -6.374 -1.903 1.00 0.00 N ATOM 823 CA THR A 53 -2.127 -7.068 -1.861 1.00 0.00 C ATOM 824 C THR A 53 -1.247 -6.457 -0.780 1.00 0.00 C ATOM 825 O THR A 53 -1.179 -5.236 -0.635 1.00 0.00 O ATOM 826 CB THR A 53 -1.427 -6.956 -3.229 1.00 0.00 C ATOM 827 OG1 THR A 53 -0.554 -5.834 -3.221 1.00 0.00 O ATOM 828 CG2 THR A 53 -2.473 -6.764 -4.338 1.00 0.00 C ATOM 0 H THR A 53 -3.348 -5.371 -2.078 1.00 0.00 H new ATOM 0 HA THR A 53 -2.296 -8.120 -1.632 1.00 0.00 H new ATOM 0 HB THR A 53 -0.862 -7.869 -3.415 1.00 0.00 H new ATOM 0 HG1 THR A 53 -1.057 -5.026 -3.455 1.00 0.00 H new ATOM 0 HG21 THR A 53 -1.971 -6.686 -5.302 1.00 0.00 H new ATOM 0 HG22 THR A 53 -3.151 -7.617 -4.350 1.00 0.00 H new ATOM 0 HG23 THR A 53 -3.040 -5.853 -4.149 1.00 0.00 H new ATOM 836 N ARG A 54 -0.568 -7.315 -0.027 1.00 0.00 N ATOM 837 CA ARG A 54 0.306 -6.856 1.044 1.00 0.00 C ATOM 838 C ARG A 54 1.160 -5.689 0.564 1.00 0.00 C ATOM 839 O ARG A 54 1.512 -4.803 1.342 1.00 0.00 O ATOM 840 CB ARG A 54 1.200 -8.013 1.506 1.00 0.00 C ATOM 841 CG ARG A 54 2.190 -8.378 0.397 1.00 0.00 C ATOM 842 CD ARG A 54 2.932 -9.661 0.771 1.00 0.00 C ATOM 843 NE ARG A 54 3.902 -9.999 -0.265 1.00 0.00 N ATOM 844 CZ ARG A 54 4.433 -11.214 -0.337 1.00 0.00 C ATOM 845 NH1 ARG A 54 4.088 -12.129 0.527 1.00 0.00 N ATOM 846 NH2 ARG A 54 5.298 -11.495 -1.274 1.00 0.00 N ATOM 0 H ARG A 54 -0.606 -8.328 -0.138 1.00 0.00 H new ATOM 0 HA ARG A 54 -0.302 -6.516 1.882 1.00 0.00 H new ATOM 0 HB2 ARG A 54 1.740 -7.729 2.409 1.00 0.00 H new ATOM 0 HB3 ARG A 54 0.588 -8.879 1.759 1.00 0.00 H new ATOM 0 HG2 ARG A 54 1.661 -8.514 -0.546 1.00 0.00 H new ATOM 0 HG3 ARG A 54 2.901 -7.565 0.249 1.00 0.00 H new ATOM 0 HD2 ARG A 54 3.439 -9.531 1.727 1.00 0.00 H new ATOM 0 HD3 ARG A 54 2.222 -10.478 0.895 1.00 0.00 H new ATOM 0 HE ARG A 54 4.177 -9.290 -0.945 1.00 0.00 H new ATOM 0 HH11 ARG A 54 3.410 -11.911 1.258 1.00 0.00 H new ATOM 0 HH12 ARG A 54 4.496 -13.062 0.472 1.00 0.00 H new ATOM 0 HH21 ARG A 54 5.566 -10.781 -1.951 1.00 0.00 H new ATOM 0 HH22 ARG A 54 5.705 -12.428 -1.329 1.00 0.00 H new ATOM 860 N ARG A 55 1.486 -5.695 -0.722 1.00 0.00 N ATOM 861 CA ARG A 55 2.296 -4.628 -1.294 1.00 0.00 C ATOM 862 C ARG A 55 1.490 -3.339 -1.396 1.00 0.00 C ATOM 863 O ARG A 55 1.966 -2.266 -1.022 1.00 0.00 O ATOM 864 CB ARG A 55 2.775 -5.036 -2.690 1.00 0.00 C ATOM 865 CG ARG A 55 3.614 -6.317 -2.614 1.00 0.00 C ATOM 866 CD ARG A 55 5.013 -6.015 -2.062 1.00 0.00 C ATOM 867 NE ARG A 55 5.860 -7.200 -2.174 1.00 0.00 N ATOM 868 CZ ARG A 55 5.949 -8.090 -1.189 1.00 0.00 C ATOM 869 NH1 ARG A 55 5.254 -7.932 -0.095 1.00 0.00 N ATOM 870 NH2 ARG A 55 6.727 -9.125 -1.322 1.00 0.00 N ATOM 0 H ARG A 55 1.205 -6.419 -1.383 1.00 0.00 H new ATOM 0 HA ARG A 55 3.154 -4.458 -0.643 1.00 0.00 H new ATOM 0 HB2 ARG A 55 1.917 -5.194 -3.344 1.00 0.00 H new ATOM 0 HB3 ARG A 55 3.366 -4.232 -3.128 1.00 0.00 H new ATOM 0 HG2 ARG A 55 3.116 -7.047 -1.976 1.00 0.00 H new ATOM 0 HG3 ARG A 55 3.697 -6.763 -3.605 1.00 0.00 H new ATOM 0 HD2 ARG A 55 5.459 -5.186 -2.612 1.00 0.00 H new ATOM 0 HD3 ARG A 55 4.943 -5.705 -1.019 1.00 0.00 H new ATOM 0 HE ARG A 55 6.397 -7.349 -3.029 1.00 0.00 H new ATOM 0 HH11 ARG A 55 4.640 -7.124 0.007 1.00 0.00 H new ATOM 0 HH12 ARG A 55 5.325 -8.617 0.658 1.00 0.00 H new ATOM 0 HH21 ARG A 55 7.266 -9.251 -2.179 1.00 0.00 H new ATOM 0 HH22 ARG A 55 6.798 -9.810 -0.569 1.00 0.00 H new ATOM 884 N VAL A 56 0.266 -3.451 -1.902 1.00 0.00 N ATOM 885 CA VAL A 56 -0.597 -2.286 -2.048 1.00 0.00 C ATOM 886 C VAL A 56 -2.001 -2.702 -2.435 1.00 0.00 C ATOM 887 O VAL A 56 -2.243 -3.854 -2.802 1.00 0.00 O ATOM 888 CB VAL A 56 -0.034 -1.347 -3.110 1.00 0.00 C ATOM 889 CG1 VAL A 56 -0.060 -2.036 -4.476 1.00 0.00 C ATOM 890 CG2 VAL A 56 -0.858 -0.049 -3.168 1.00 0.00 C ATOM 0 H VAL A 56 -0.147 -4.329 -2.215 1.00 0.00 H new ATOM 0 HA VAL A 56 -0.636 -1.770 -1.089 1.00 0.00 H new ATOM 0 HB VAL A 56 0.995 -1.099 -2.849 1.00 0.00 H new ATOM 0 HG11 VAL A 56 0.343 -1.362 -5.231 1.00 0.00 H new ATOM 0 HG12 VAL A 56 0.545 -2.942 -4.438 1.00 0.00 H new ATOM 0 HG13 VAL A 56 -1.087 -2.296 -4.733 1.00 0.00 H new ATOM 0 HG21 VAL A 56 -0.444 0.611 -3.930 1.00 0.00 H new ATOM 0 HG22 VAL A 56 -1.893 -0.286 -3.416 1.00 0.00 H new ATOM 0 HG23 VAL A 56 -0.822 0.449 -2.199 1.00 0.00 H new ATOM 900 N SER A 57 -2.930 -1.755 -2.365 1.00 0.00 N ATOM 901 CA SER A 57 -4.311 -2.031 -2.728 1.00 0.00 C ATOM 902 C SER A 57 -4.536 -1.778 -4.215 1.00 0.00 C ATOM 903 O SER A 57 -3.839 -0.969 -4.828 1.00 0.00 O ATOM 904 CB SER A 57 -5.258 -1.149 -1.915 1.00 0.00 C ATOM 905 OG SER A 57 -5.075 0.209 -2.290 1.00 0.00 O ATOM 0 H SER A 57 -2.752 -0.797 -2.062 1.00 0.00 H new ATOM 0 HA SER A 57 -4.516 -3.079 -2.511 1.00 0.00 H new ATOM 0 HB2 SER A 57 -6.291 -1.450 -2.088 1.00 0.00 H new ATOM 0 HB3 SER A 57 -5.064 -1.273 -0.850 1.00 0.00 H new ATOM 0 HG SER A 57 -5.683 0.776 -1.771 1.00 0.00 H new ATOM 911 N LEU A 58 -5.516 -2.466 -4.790 1.00 0.00 N ATOM 912 CA LEU A 58 -5.822 -2.290 -6.208 1.00 0.00 C ATOM 913 C LEU A 58 -7.210 -2.836 -6.522 1.00 0.00 C ATOM 914 O LEU A 58 -7.666 -3.792 -5.898 1.00 0.00 O ATOM 915 CB LEU A 58 -4.776 -3.014 -7.067 1.00 0.00 C ATOM 916 CG LEU A 58 -5.074 -2.805 -8.565 1.00 0.00 C ATOM 917 CD1 LEU A 58 -4.993 -1.310 -8.927 1.00 0.00 C ATOM 918 CD2 LEU A 58 -4.055 -3.593 -9.395 1.00 0.00 C ATOM 0 H LEU A 58 -6.106 -3.142 -4.306 1.00 0.00 H new ATOM 0 HA LEU A 58 -5.800 -1.225 -6.438 1.00 0.00 H new ATOM 0 HB2 LEU A 58 -3.780 -2.639 -6.832 1.00 0.00 H new ATOM 0 HB3 LEU A 58 -4.779 -4.079 -6.834 1.00 0.00 H new ATOM 0 HG LEU A 58 -6.082 -3.160 -8.781 1.00 0.00 H new ATOM 0 HD11 LEU A 58 -5.206 -1.181 -9.988 1.00 0.00 H new ATOM 0 HD12 LEU A 58 -5.723 -0.753 -8.340 1.00 0.00 H new ATOM 0 HD13 LEU A 58 -3.992 -0.937 -8.710 1.00 0.00 H new ATOM 0 HD21 LEU A 58 -4.261 -3.449 -10.456 1.00 0.00 H new ATOM 0 HD22 LEU A 58 -3.049 -3.238 -9.169 1.00 0.00 H new ATOM 0 HD23 LEU A 58 -4.129 -4.653 -9.152 1.00 0.00 H new ATOM 930 N VAL A 59 -7.874 -2.231 -7.506 1.00 0.00 N ATOM 931 CA VAL A 59 -9.208 -2.677 -7.913 1.00 0.00 C ATOM 932 C VAL A 59 -9.253 -2.853 -9.428 1.00 0.00 C ATOM 933 O VAL A 59 -8.833 -1.974 -10.180 1.00 0.00 O ATOM 934 CB VAL A 59 -10.265 -1.659 -7.485 1.00 0.00 C ATOM 935 CG1 VAL A 59 -9.888 -0.272 -8.014 1.00 0.00 C ATOM 936 CG2 VAL A 59 -11.630 -2.072 -8.047 1.00 0.00 C ATOM 0 H VAL A 59 -7.514 -1.436 -8.034 1.00 0.00 H new ATOM 0 HA VAL A 59 -9.420 -3.630 -7.428 1.00 0.00 H new ATOM 0 HB VAL A 59 -10.317 -1.626 -6.397 1.00 0.00 H new ATOM 0 HG11 VAL A 59 -10.643 0.452 -7.708 1.00 0.00 H new ATOM 0 HG12 VAL A 59 -8.919 0.021 -7.609 1.00 0.00 H new ATOM 0 HG13 VAL A 59 -9.833 -0.300 -9.102 1.00 0.00 H new ATOM 0 HG21 VAL A 59 -12.384 -1.346 -7.742 1.00 0.00 H new ATOM 0 HG22 VAL A 59 -11.580 -2.107 -9.135 1.00 0.00 H new ATOM 0 HG23 VAL A 59 -11.898 -3.057 -7.664 1.00 0.00 H new ATOM 946 N LEU A 60 -9.769 -3.997 -9.871 1.00 0.00 N ATOM 947 CA LEU A 60 -9.866 -4.295 -11.301 1.00 0.00 C ATOM 948 C LEU A 60 -11.239 -4.872 -11.634 1.00 0.00 C ATOM 949 O LEU A 60 -11.958 -5.340 -10.756 1.00 0.00 O ATOM 950 CB LEU A 60 -8.777 -5.295 -11.690 1.00 0.00 C ATOM 951 CG LEU A 60 -7.391 -4.674 -11.467 1.00 0.00 C ATOM 952 CD1 LEU A 60 -6.316 -5.753 -11.656 1.00 0.00 C ATOM 953 CD2 LEU A 60 -7.151 -3.520 -12.464 1.00 0.00 C ATOM 0 H LEU A 60 -10.127 -4.733 -9.262 1.00 0.00 H new ATOM 0 HA LEU A 60 -9.731 -3.371 -11.863 1.00 0.00 H new ATOM 0 HB2 LEU A 60 -8.877 -6.204 -11.097 1.00 0.00 H new ATOM 0 HB3 LEU A 60 -8.892 -5.582 -12.735 1.00 0.00 H new ATOM 0 HG LEU A 60 -7.339 -4.275 -10.454 1.00 0.00 H new ATOM 0 HD11 LEU A 60 -5.330 -5.316 -11.498 1.00 0.00 H new ATOM 0 HD12 LEU A 60 -6.476 -6.556 -10.937 1.00 0.00 H new ATOM 0 HD13 LEU A 60 -6.377 -6.155 -12.667 1.00 0.00 H new ATOM 0 HD21 LEU A 60 -6.164 -3.090 -12.293 1.00 0.00 H new ATOM 0 HD22 LEU A 60 -7.209 -3.902 -13.483 1.00 0.00 H new ATOM 0 HD23 LEU A 60 -7.911 -2.752 -12.321 1.00 0.00 H new ATOM 965 N ARG A 61 -11.596 -4.827 -12.915 1.00 0.00 N ATOM 966 CA ARG A 61 -12.884 -5.348 -13.369 1.00 0.00 C ATOM 967 C ARG A 61 -12.779 -6.832 -13.703 1.00 0.00 C ATOM 968 O ARG A 61 -11.687 -7.356 -13.900 1.00 0.00 O ATOM 969 CB ARG A 61 -13.357 -4.576 -14.596 1.00 0.00 C ATOM 970 CG ARG A 61 -13.788 -3.172 -14.170 1.00 0.00 C ATOM 971 CD ARG A 61 -14.264 -2.408 -15.395 1.00 0.00 C ATOM 972 NE ARG A 61 -14.661 -1.051 -15.026 1.00 0.00 N ATOM 973 CZ ARG A 61 -15.383 -0.294 -15.847 1.00 0.00 C ATOM 974 NH1 ARG A 61 -15.750 -0.757 -17.012 1.00 0.00 N ATOM 975 NH2 ARG A 61 -15.723 0.914 -15.491 1.00 0.00 N ATOM 0 H ARG A 61 -11.014 -4.436 -13.656 1.00 0.00 H new ATOM 0 HA ARG A 61 -13.607 -5.223 -12.563 1.00 0.00 H new ATOM 0 HB2 ARG A 61 -12.557 -4.516 -15.334 1.00 0.00 H new ATOM 0 HB3 ARG A 61 -14.189 -5.097 -15.070 1.00 0.00 H new ATOM 0 HG2 ARG A 61 -14.586 -3.231 -13.430 1.00 0.00 H new ATOM 0 HG3 ARG A 61 -12.955 -2.649 -13.700 1.00 0.00 H new ATOM 0 HD2 ARG A 61 -13.469 -2.371 -16.140 1.00 0.00 H new ATOM 0 HD3 ARG A 61 -15.106 -2.929 -15.852 1.00 0.00 H new ATOM 0 HE ARG A 61 -14.379 -0.677 -14.120 1.00 0.00 H new ATOM 0 HH11 ARG A 61 -15.483 -1.700 -17.293 1.00 0.00 H new ATOM 0 HH12 ARG A 61 -16.304 -0.175 -17.641 1.00 0.00 H new ATOM 0 HH21 ARG A 61 -15.435 1.278 -14.583 1.00 0.00 H new ATOM 0 HH22 ARG A 61 -16.277 1.494 -16.121 1.00 0.00 H new ATOM 989 N LYS A 62 -13.917 -7.507 -13.765 1.00 0.00 N ATOM 990 CA LYS A 62 -13.931 -8.935 -14.072 1.00 0.00 C ATOM 991 C LYS A 62 -13.210 -9.213 -15.389 1.00 0.00 C ATOM 992 O LYS A 62 -12.464 -10.189 -15.511 1.00 0.00 O ATOM 993 CB LYS A 62 -15.375 -9.423 -14.157 1.00 0.00 C ATOM 994 CG LYS A 62 -16.059 -8.792 -15.375 1.00 0.00 C ATOM 995 CD LYS A 62 -17.567 -9.045 -15.311 1.00 0.00 C ATOM 996 CE LYS A 62 -17.853 -10.539 -15.476 1.00 0.00 C ATOM 997 NZ LYS A 62 -19.295 -10.734 -15.792 1.00 0.00 N ATOM 0 H LYS A 62 -14.837 -7.096 -13.609 1.00 0.00 H new ATOM 0 HA LYS A 62 -13.410 -9.469 -13.277 1.00 0.00 H new ATOM 0 HB2 LYS A 62 -15.398 -10.510 -14.236 1.00 0.00 H new ATOM 0 HB3 LYS A 62 -15.913 -9.158 -13.247 1.00 0.00 H new ATOM 0 HG2 LYS A 62 -15.861 -7.720 -15.400 1.00 0.00 H new ATOM 0 HG3 LYS A 62 -15.649 -9.213 -16.293 1.00 0.00 H new ATOM 0 HD2 LYS A 62 -17.963 -8.693 -14.358 1.00 0.00 H new ATOM 0 HD3 LYS A 62 -18.073 -8.481 -16.094 1.00 0.00 H new ATOM 0 HE2 LYS A 62 -17.235 -10.953 -16.273 1.00 0.00 H new ATOM 0 HE3 LYS A 62 -17.594 -11.073 -14.562 1.00 0.00 H new ATOM 0 HZ1 LYS A 62 -19.492 -11.749 -15.905 1.00 0.00 H new ATOM 0 HZ2 LYS A 62 -19.875 -10.353 -15.017 1.00 0.00 H new ATOM 0 HZ3 LYS A 62 -19.527 -10.236 -16.675 1.00 0.00 H new ATOM 1011 N LYS A 63 -13.437 -8.352 -16.371 1.00 0.00 N ATOM 1012 CA LYS A 63 -12.806 -8.516 -17.672 1.00 0.00 C ATOM 1013 C LYS A 63 -11.289 -8.473 -17.543 1.00 0.00 C ATOM 1014 O LYS A 63 -10.578 -9.238 -18.195 1.00 0.00 O ATOM 1015 CB LYS A 63 -13.279 -7.411 -18.619 1.00 0.00 C ATOM 1016 CG LYS A 63 -12.811 -6.053 -18.090 1.00 0.00 C ATOM 1017 CD LYS A 63 -13.475 -4.926 -18.888 1.00 0.00 C ATOM 1018 CE LYS A 63 -12.938 -4.911 -20.322 1.00 0.00 C ATOM 1019 NZ LYS A 63 -13.292 -3.617 -20.969 1.00 0.00 N ATOM 0 H LYS A 63 -14.048 -7.539 -16.293 1.00 0.00 H new ATOM 0 HA LYS A 63 -13.091 -9.487 -18.077 1.00 0.00 H new ATOM 0 HB2 LYS A 63 -12.882 -7.580 -19.620 1.00 0.00 H new ATOM 0 HB3 LYS A 63 -14.366 -7.427 -18.700 1.00 0.00 H new ATOM 0 HG2 LYS A 63 -13.061 -5.959 -17.033 1.00 0.00 H new ATOM 0 HG3 LYS A 63 -11.727 -5.976 -18.169 1.00 0.00 H new ATOM 0 HD2 LYS A 63 -14.556 -5.064 -18.897 1.00 0.00 H new ATOM 0 HD3 LYS A 63 -13.281 -3.967 -18.408 1.00 0.00 H new ATOM 0 HE2 LYS A 63 -11.856 -5.045 -20.318 1.00 0.00 H new ATOM 0 HE3 LYS A 63 -13.360 -5.741 -20.889 1.00 0.00 H new ATOM 0 HZ1 LYS A 63 -12.928 -3.605 -21.943 1.00 0.00 H new ATOM 0 HZ2 LYS A 63 -14.326 -3.508 -20.984 1.00 0.00 H new ATOM 0 HZ3 LYS A 63 -12.869 -2.833 -20.432 1.00 0.00 H new ATOM 1033 N ASP A 64 -10.793 -7.576 -16.698 1.00 0.00 N ATOM 1034 CA ASP A 64 -9.357 -7.450 -16.502 1.00 0.00 C ATOM 1035 C ASP A 64 -8.774 -8.752 -15.967 1.00 0.00 C ATOM 1036 O ASP A 64 -7.742 -9.216 -16.444 1.00 0.00 O ATOM 1037 CB ASP A 64 -9.069 -6.316 -15.520 1.00 0.00 C ATOM 1038 CG ASP A 64 -9.329 -4.965 -16.178 1.00 0.00 C ATOM 1039 OD1 ASP A 64 -9.447 -4.931 -17.392 1.00 0.00 O ATOM 1040 OD2 ASP A 64 -9.406 -3.984 -15.458 1.00 0.00 O ATOM 0 H ASP A 64 -11.358 -6.933 -16.144 1.00 0.00 H new ATOM 0 HA ASP A 64 -8.892 -7.228 -17.463 1.00 0.00 H new ATOM 0 HB2 ASP A 64 -9.697 -6.424 -14.636 1.00 0.00 H new ATOM 0 HB3 ASP A 64 -8.033 -6.371 -15.184 1.00 0.00 H new ATOM 1045 N LEU A 65 -9.449 -9.350 -14.989 1.00 0.00 N ATOM 1046 CA LEU A 65 -8.983 -10.609 -14.414 1.00 0.00 C ATOM 1047 C LEU A 65 -8.948 -11.695 -15.482 1.00 0.00 C ATOM 1048 O LEU A 65 -8.005 -12.485 -15.545 1.00 0.00 O ATOM 1049 CB LEU A 65 -9.909 -11.032 -13.257 1.00 0.00 C ATOM 1050 CG LEU A 65 -9.426 -10.430 -11.933 1.00 0.00 C ATOM 1051 CD1 LEU A 65 -9.332 -8.910 -12.052 1.00 0.00 C ATOM 1052 CD2 LEU A 65 -10.400 -10.790 -10.827 1.00 0.00 C ATOM 0 H LEU A 65 -10.311 -8.988 -14.581 1.00 0.00 H new ATOM 0 HA LEU A 65 -7.974 -10.468 -14.027 1.00 0.00 H new ATOM 0 HB2 LEU A 65 -10.928 -10.705 -13.461 1.00 0.00 H new ATOM 0 HB3 LEU A 65 -9.933 -12.119 -13.181 1.00 0.00 H new ATOM 0 HG LEU A 65 -8.440 -10.832 -11.699 1.00 0.00 H new ATOM 0 HD11 LEU A 65 -8.988 -8.492 -11.106 1.00 0.00 H new ATOM 0 HD12 LEU A 65 -8.627 -8.650 -12.842 1.00 0.00 H new ATOM 0 HD13 LEU A 65 -10.314 -8.503 -12.293 1.00 0.00 H new ATOM 0 HD21 LEU A 65 -10.056 -10.362 -9.886 1.00 0.00 H new ATOM 0 HD22 LEU A 65 -11.386 -10.393 -11.067 1.00 0.00 H new ATOM 0 HD23 LEU A 65 -10.458 -11.874 -10.732 1.00 0.00 H new ATOM 1064 N ALA A 66 -9.974 -11.732 -16.319 1.00 0.00 N ATOM 1065 CA ALA A 66 -10.027 -12.735 -17.372 1.00 0.00 C ATOM 1066 C ALA A 66 -8.808 -12.617 -18.280 1.00 0.00 C ATOM 1067 O ALA A 66 -8.121 -13.604 -18.544 1.00 0.00 O ATOM 1068 CB ALA A 66 -11.301 -12.551 -18.195 1.00 0.00 C ATOM 0 H ALA A 66 -10.768 -11.092 -16.292 1.00 0.00 H new ATOM 0 HA ALA A 66 -10.029 -13.724 -16.914 1.00 0.00 H new ATOM 0 HB1 ALA A 66 -11.337 -13.304 -18.983 1.00 0.00 H new ATOM 0 HB2 ALA A 66 -12.171 -12.661 -17.548 1.00 0.00 H new ATOM 0 HB3 ALA A 66 -11.305 -11.557 -18.643 1.00 0.00 H new ATOM 1074 N LEU A 67 -8.541 -11.403 -18.751 1.00 0.00 N ATOM 1075 CA LEU A 67 -7.395 -11.168 -19.623 1.00 0.00 C ATOM 1076 C LEU A 67 -6.088 -11.348 -18.858 1.00 0.00 C ATOM 1077 O LEU A 67 -5.120 -11.898 -19.382 1.00 0.00 O ATOM 1078 CB LEU A 67 -7.466 -9.750 -20.220 1.00 0.00 C ATOM 1079 CG LEU A 67 -8.288 -9.759 -21.512 1.00 0.00 C ATOM 1080 CD1 LEU A 67 -9.722 -10.191 -21.210 1.00 0.00 C ATOM 1081 CD2 LEU A 67 -8.287 -8.355 -22.116 1.00 0.00 C ATOM 0 H LEU A 67 -9.097 -10.573 -18.546 1.00 0.00 H new ATOM 0 HA LEU A 67 -7.424 -11.898 -20.432 1.00 0.00 H new ATOM 0 HB2 LEU A 67 -7.915 -9.067 -19.500 1.00 0.00 H new ATOM 0 HB3 LEU A 67 -6.460 -9.383 -20.423 1.00 0.00 H new ATOM 0 HG LEU A 67 -7.849 -10.462 -22.220 1.00 0.00 H new ATOM 0 HD11 LEU A 67 -10.303 -10.196 -22.133 1.00 0.00 H new ATOM 0 HD12 LEU A 67 -9.717 -11.192 -20.779 1.00 0.00 H new ATOM 0 HD13 LEU A 67 -10.171 -9.494 -20.503 1.00 0.00 H new ATOM 0 HD21 LEU A 67 -8.871 -8.355 -23.037 1.00 0.00 H new ATOM 0 HD22 LEU A 67 -8.727 -7.654 -21.407 1.00 0.00 H new ATOM 0 HD23 LEU A 67 -7.263 -8.054 -22.336 1.00 0.00 H new ATOM 1093 N LEU A 68 -6.062 -10.866 -17.625 1.00 0.00 N ATOM 1094 CA LEU A 68 -4.857 -10.965 -16.817 1.00 0.00 C ATOM 1095 C LEU A 68 -4.491 -12.426 -16.589 1.00 0.00 C ATOM 1096 O LEU A 68 -5.331 -13.231 -16.187 1.00 0.00 O ATOM 1097 CB LEU A 68 -5.079 -10.270 -15.469 1.00 0.00 C ATOM 1098 CG LEU A 68 -3.725 -9.985 -14.787 1.00 0.00 C ATOM 1099 CD1 LEU A 68 -3.175 -8.634 -15.264 1.00 0.00 C ATOM 1100 CD2 LEU A 68 -3.910 -9.934 -13.266 1.00 0.00 C ATOM 0 H LEU A 68 -6.850 -10.408 -17.167 1.00 0.00 H new ATOM 0 HA LEU A 68 -4.038 -10.476 -17.346 1.00 0.00 H new ATOM 0 HB2 LEU A 68 -5.623 -9.337 -15.618 1.00 0.00 H new ATOM 0 HB3 LEU A 68 -5.694 -10.898 -14.825 1.00 0.00 H new ATOM 0 HG LEU A 68 -3.027 -10.780 -15.048 1.00 0.00 H new ATOM 0 HD11 LEU A 68 -2.219 -8.439 -14.779 1.00 0.00 H new ATOM 0 HD12 LEU A 68 -3.035 -8.659 -16.345 1.00 0.00 H new ATOM 0 HD13 LEU A 68 -3.880 -7.843 -15.008 1.00 0.00 H new ATOM 0 HD21 LEU A 68 -2.951 -9.732 -12.789 1.00 0.00 H new ATOM 0 HD22 LEU A 68 -4.615 -9.143 -13.012 1.00 0.00 H new ATOM 0 HD23 LEU A 68 -4.296 -10.891 -12.914 1.00 0.00 H new ATOM 1112 N GLU A 69 -3.232 -12.763 -16.854 1.00 0.00 N ATOM 1113 CA GLU A 69 -2.778 -14.139 -16.677 1.00 0.00 C ATOM 1114 C GLU A 69 -2.610 -14.464 -15.194 1.00 0.00 C ATOM 1115 O GLU A 69 -1.669 -13.997 -14.543 1.00 0.00 O ATOM 1116 CB GLU A 69 -1.448 -14.347 -17.396 1.00 0.00 C ATOM 1117 CG GLU A 69 -1.656 -14.201 -18.903 1.00 0.00 C ATOM 1118 CD GLU A 69 -0.317 -14.317 -19.621 1.00 0.00 C ATOM 1119 OE1 GLU A 69 0.678 -14.527 -18.946 1.00 0.00 O ATOM 1120 OE2 GLU A 69 -0.306 -14.195 -20.834 1.00 0.00 O ATOM 0 H GLU A 69 -2.518 -12.115 -17.187 1.00 0.00 H new ATOM 0 HA GLU A 69 -3.530 -14.805 -17.101 1.00 0.00 H new ATOM 0 HB2 GLU A 69 -0.716 -13.619 -17.047 1.00 0.00 H new ATOM 0 HB3 GLU A 69 -1.049 -15.335 -17.167 1.00 0.00 H new ATOM 0 HG2 GLU A 69 -2.339 -14.971 -19.262 1.00 0.00 H new ATOM 0 HG3 GLU A 69 -2.116 -13.238 -19.125 1.00 0.00 H new ATOM 1127 N VAL A 70 -3.525 -15.276 -14.664 1.00 0.00 N ATOM 1128 CA VAL A 70 -3.482 -15.672 -13.255 1.00 0.00 C ATOM 1129 C VAL A 70 -3.674 -17.175 -13.115 1.00 0.00 C ATOM 1130 O VAL A 70 -4.160 -17.838 -14.031 1.00 0.00 O ATOM 1131 CB VAL A 70 -4.580 -14.949 -12.473 1.00 0.00 C ATOM 1132 CG1 VAL A 70 -4.326 -13.443 -12.511 1.00 0.00 C ATOM 1133 CG2 VAL A 70 -5.941 -15.249 -13.104 1.00 0.00 C ATOM 0 H VAL A 70 -4.305 -15.673 -15.188 1.00 0.00 H new ATOM 0 HA VAL A 70 -2.506 -15.399 -12.854 1.00 0.00 H new ATOM 0 HB VAL A 70 -4.574 -15.295 -11.439 1.00 0.00 H new ATOM 0 HG11 VAL A 70 -5.108 -12.928 -11.954 1.00 0.00 H new ATOM 0 HG12 VAL A 70 -3.357 -13.226 -12.061 1.00 0.00 H new ATOM 0 HG13 VAL A 70 -4.331 -13.099 -13.545 1.00 0.00 H new ATOM 0 HG21 VAL A 70 -6.722 -14.733 -12.546 1.00 0.00 H new ATOM 0 HG22 VAL A 70 -5.946 -14.905 -14.138 1.00 0.00 H new ATOM 0 HG23 VAL A 70 -6.125 -16.323 -13.078 1.00 0.00 H new ATOM 1143 N GLU A 71 -3.291 -17.710 -11.957 1.00 0.00 N ATOM 1144 CA GLU A 71 -3.428 -19.144 -11.699 1.00 0.00 C ATOM 1145 C GLU A 71 -3.815 -19.387 -10.244 1.00 0.00 C ATOM 1146 O GLU A 71 -3.319 -18.713 -9.341 1.00 0.00 O ATOM 1147 CB GLU A 71 -2.109 -19.858 -12.003 1.00 0.00 C ATOM 1148 CG GLU A 71 -2.315 -21.369 -11.909 1.00 0.00 C ATOM 1149 CD GLU A 71 -1.021 -22.092 -12.269 1.00 0.00 C ATOM 1150 OE1 GLU A 71 -0.144 -21.452 -12.825 1.00 0.00 O ATOM 1151 OE2 GLU A 71 -0.928 -23.275 -11.985 1.00 0.00 O ATOM 0 H GLU A 71 -2.886 -17.177 -11.187 1.00 0.00 H new ATOM 0 HA GLU A 71 -4.211 -19.539 -12.346 1.00 0.00 H new ATOM 0 HB2 GLU A 71 -1.759 -19.589 -13.000 1.00 0.00 H new ATOM 0 HB3 GLU A 71 -1.340 -19.540 -11.299 1.00 0.00 H new ATOM 0 HG2 GLU A 71 -2.625 -21.641 -10.900 1.00 0.00 H new ATOM 0 HG3 GLU A 71 -3.114 -21.679 -12.582 1.00 0.00 H new ATOM 1158 N ALA A 72 -4.699 -20.355 -10.026 1.00 0.00 N ATOM 1159 CA ALA A 72 -5.144 -20.681 -8.674 1.00 0.00 C ATOM 1160 C ALA A 72 -4.158 -21.632 -8.008 1.00 0.00 C ATOM 1161 O ALA A 72 -4.016 -22.783 -8.419 1.00 0.00 O ATOM 1162 CB ALA A 72 -6.528 -21.333 -8.727 1.00 0.00 C ATOM 0 H ALA A 72 -5.119 -20.924 -10.761 1.00 0.00 H new ATOM 0 HA ALA A 72 -5.197 -19.761 -8.092 1.00 0.00 H new ATOM 0 HB1 ALA A 72 -6.855 -21.574 -7.716 1.00 0.00 H new ATOM 0 HB2 ALA A 72 -7.238 -20.643 -9.183 1.00 0.00 H new ATOM 0 HB3 ALA A 72 -6.477 -22.246 -9.320 1.00 0.00 H new ATOM 1168 N VAL A 73 -3.473 -21.142 -6.981 1.00 0.00 N ATOM 1169 CA VAL A 73 -2.495 -21.958 -6.271 1.00 0.00 C ATOM 1170 C VAL A 73 -3.176 -23.145 -5.600 1.00 0.00 C ATOM 1171 O VAL A 73 -2.701 -24.276 -5.685 1.00 0.00 O ATOM 1172 CB VAL A 73 -1.784 -21.113 -5.214 1.00 0.00 C ATOM 1173 CG1 VAL A 73 -0.760 -21.972 -4.471 1.00 0.00 C ATOM 1174 CG2 VAL A 73 -1.074 -19.946 -5.896 1.00 0.00 C ATOM 0 H VAL A 73 -3.575 -20.192 -6.624 1.00 0.00 H new ATOM 0 HA VAL A 73 -1.766 -22.330 -6.991 1.00 0.00 H new ATOM 0 HB VAL A 73 -2.515 -20.731 -4.502 1.00 0.00 H new ATOM 0 HG11 VAL A 73 -0.255 -21.367 -3.718 1.00 0.00 H new ATOM 0 HG12 VAL A 73 -1.268 -22.805 -3.985 1.00 0.00 H new ATOM 0 HG13 VAL A 73 -0.026 -22.357 -5.179 1.00 0.00 H new ATOM 0 HG21 VAL A 73 -0.566 -19.341 -5.146 1.00 0.00 H new ATOM 0 HG22 VAL A 73 -0.344 -20.330 -6.608 1.00 0.00 H new ATOM 0 HG23 VAL A 73 -1.805 -19.333 -6.422 1.00 0.00 H new ATOM 1184 N SER A 74 -4.290 -22.876 -4.930 1.00 0.00 N ATOM 1185 CA SER A 74 -5.030 -23.926 -4.243 1.00 0.00 C ATOM 1186 C SER A 74 -4.088 -24.804 -3.428 1.00 0.00 C ATOM 1187 O SER A 74 -4.360 -25.985 -3.209 1.00 0.00 O ATOM 1188 CB SER A 74 -5.779 -24.789 -5.258 1.00 0.00 C ATOM 1189 OG SER A 74 -6.400 -23.950 -6.222 1.00 0.00 O ATOM 0 H SER A 74 -4.699 -21.945 -4.848 1.00 0.00 H new ATOM 0 HA SER A 74 -5.744 -23.454 -3.568 1.00 0.00 H new ATOM 0 HB2 SER A 74 -5.089 -25.476 -5.748 1.00 0.00 H new ATOM 0 HB3 SER A 74 -6.529 -25.397 -4.752 1.00 0.00 H new ATOM 0 HG SER A 74 -6.880 -24.501 -6.875 1.00 0.00 H new ATOM 1195 N SER A 75 -2.981 -24.222 -2.978 1.00 0.00 N ATOM 1196 CA SER A 75 -2.003 -24.963 -2.185 1.00 0.00 C ATOM 1197 C SER A 75 -1.296 -24.032 -1.209 1.00 0.00 C ATOM 1198 O SER A 75 -0.774 -22.988 -1.597 1.00 0.00 O ATOM 1199 CB SER A 75 -0.972 -25.610 -3.108 1.00 0.00 C ATOM 1200 OG SER A 75 0.048 -24.668 -3.408 1.00 0.00 O ATOM 0 H SER A 75 -2.738 -23.246 -3.147 1.00 0.00 H new ATOM 0 HA SER A 75 -2.526 -25.736 -1.622 1.00 0.00 H new ATOM 0 HB2 SER A 75 -0.541 -26.490 -2.630 1.00 0.00 H new ATOM 0 HB3 SER A 75 -1.451 -25.949 -4.026 1.00 0.00 H new ATOM 0 HG SER A 75 0.712 -25.081 -3.999 1.00 0.00 H new ATOM 1206 N LEU A 76 -1.287 -24.415 0.063 1.00 0.00 N ATOM 1207 CA LEU A 76 -0.645 -23.595 1.080 1.00 0.00 C ATOM 1208 C LEU A 76 0.849 -23.475 0.812 1.00 0.00 C ATOM 1209 O LEU A 76 1.406 -22.378 0.837 1.00 0.00 O ATOM 1210 CB LEU A 76 -0.859 -24.219 2.464 1.00 0.00 C ATOM 1211 CG LEU A 76 -0.188 -23.358 3.551 1.00 0.00 C ATOM 1212 CD1 LEU A 76 -0.777 -21.935 3.543 1.00 0.00 C ATOM 1213 CD2 LEU A 76 -0.415 -24.010 4.922 1.00 0.00 C ATOM 0 H LEU A 76 -1.711 -25.276 0.410 1.00 0.00 H new ATOM 0 HA LEU A 76 -1.092 -22.601 1.049 1.00 0.00 H new ATOM 0 HB2 LEU A 76 -1.926 -24.308 2.669 1.00 0.00 H new ATOM 0 HB3 LEU A 76 -0.446 -25.227 2.483 1.00 0.00 H new ATOM 0 HG LEU A 76 0.881 -23.292 3.349 1.00 0.00 H new ATOM 0 HD11 LEU A 76 -0.294 -21.337 4.316 1.00 0.00 H new ATOM 0 HD12 LEU A 76 -0.606 -21.476 2.569 1.00 0.00 H new ATOM 0 HD13 LEU A 76 -1.848 -21.984 3.738 1.00 0.00 H new ATOM 0 HD21 LEU A 76 0.058 -23.405 5.695 1.00 0.00 H new ATOM 0 HD22 LEU A 76 -1.485 -24.080 5.119 1.00 0.00 H new ATOM 0 HD23 LEU A 76 0.021 -25.009 4.926 1.00 0.00 H new ATOM 1225 N GLU A 77 1.491 -24.611 0.557 1.00 0.00 N ATOM 1226 CA GLU A 77 2.924 -24.623 0.291 1.00 0.00 C ATOM 1227 C GLU A 77 3.380 -26.022 -0.106 1.00 0.00 C ATOM 1228 O GLU A 77 2.766 -27.018 0.279 1.00 0.00 O ATOM 1229 CB GLU A 77 3.695 -24.168 1.538 1.00 0.00 C ATOM 1230 CG GLU A 77 5.192 -24.101 1.221 1.00 0.00 C ATOM 1231 CD GLU A 77 5.954 -23.534 2.413 1.00 0.00 C ATOM 1232 OE1 GLU A 77 5.361 -23.431 3.475 1.00 0.00 O ATOM 1233 OE2 GLU A 77 7.117 -23.207 2.246 1.00 0.00 O ATOM 0 H GLU A 77 1.045 -25.528 0.529 1.00 0.00 H new ATOM 0 HA GLU A 77 3.127 -23.937 -0.531 1.00 0.00 H new ATOM 0 HB2 GLU A 77 3.338 -23.191 1.862 1.00 0.00 H new ATOM 0 HB3 GLU A 77 3.518 -24.861 2.360 1.00 0.00 H new ATOM 0 HG2 GLU A 77 5.566 -25.096 0.980 1.00 0.00 H new ATOM 0 HG3 GLU A 77 5.358 -23.477 0.343 1.00 0.00 H new ATOM 1240 N HIS A 78 4.463 -26.091 -0.874 1.00 0.00 N ATOM 1241 CA HIS A 78 5.003 -27.374 -1.317 1.00 0.00 C ATOM 1242 C HIS A 78 6.506 -27.275 -1.540 1.00 0.00 C ATOM 1243 O HIS A 78 6.987 -27.434 -2.663 1.00 0.00 O ATOM 1244 CB HIS A 78 4.321 -27.810 -2.614 1.00 0.00 C ATOM 1245 CG HIS A 78 2.908 -28.227 -2.323 1.00 0.00 C ATOM 1246 ND1 HIS A 78 2.610 -29.250 -1.437 1.00 0.00 N ATOM 1247 CD2 HIS A 78 1.702 -27.775 -2.793 1.00 0.00 C ATOM 1248 CE1 HIS A 78 1.272 -29.378 -1.400 1.00 0.00 C ATOM 1249 NE2 HIS A 78 0.669 -28.502 -2.209 1.00 0.00 N ATOM 0 H HIS A 78 4.983 -25.277 -1.202 1.00 0.00 H new ATOM 0 HA HIS A 78 4.810 -28.114 -0.540 1.00 0.00 H new ATOM 0 HB2 HIS A 78 4.329 -26.992 -3.334 1.00 0.00 H new ATOM 0 HB3 HIS A 78 4.870 -28.637 -3.065 1.00 0.00 H new ATOM 0 HD1 HIS A 78 3.283 -29.805 -0.909 1.00 0.00 H new ATOM 0 HD2 HIS A 78 1.573 -26.976 -3.508 1.00 0.00 H new ATOM 0 HE1 HIS A 78 0.749 -30.100 -0.791 1.00 0.00 H new ATOM 1257 N HIS A 79 7.246 -27.014 -0.464 1.00 0.00 N ATOM 1258 CA HIS A 79 8.702 -26.897 -0.548 1.00 0.00 C ATOM 1259 C HIS A 79 9.369 -28.178 -0.057 1.00 0.00 C ATOM 1260 O HIS A 79 10.238 -28.141 0.817 1.00 0.00 O ATOM 1261 CB HIS A 79 9.180 -25.716 0.298 1.00 0.00 C ATOM 1262 CG HIS A 79 10.677 -25.612 0.206 1.00 0.00 C ATOM 1263 ND1 HIS A 79 11.429 -24.926 1.147 1.00 0.00 N ATOM 1264 CD2 HIS A 79 11.578 -26.102 -0.709 1.00 0.00 C ATOM 1265 CE1 HIS A 79 12.721 -25.021 0.781 1.00 0.00 C ATOM 1266 NE2 HIS A 79 12.866 -25.727 -0.343 1.00 0.00 N ATOM 0 H HIS A 79 6.864 -26.880 0.472 1.00 0.00 H new ATOM 0 HA HIS A 79 8.976 -26.732 -1.590 1.00 0.00 H new ATOM 0 HB2 HIS A 79 8.718 -24.793 -0.052 1.00 0.00 H new ATOM 0 HB3 HIS A 79 8.877 -25.851 1.336 1.00 0.00 H new ATOM 0 HD2 HIS A 79 11.324 -26.689 -1.579 1.00 0.00 H new ATOM 0 HE1 HIS A 79 13.540 -24.580 1.330 1.00 0.00 H new ATOM 0 HE2 HIS A 79 13.736 -25.945 -0.829 1.00 0.00 H new ATOM 1274 N HIS A 80 8.961 -29.307 -0.625 1.00 0.00 N ATOM 1275 CA HIS A 80 9.527 -30.596 -0.239 1.00 0.00 C ATOM 1276 C HIS A 80 9.335 -31.620 -1.353 1.00 0.00 C ATOM 1277 O HIS A 80 8.412 -32.433 -1.310 1.00 0.00 O ATOM 1278 CB HIS A 80 8.857 -31.101 1.039 1.00 0.00 C ATOM 1279 CG HIS A 80 9.577 -32.326 1.531 1.00 0.00 C ATOM 1280 ND1 HIS A 80 9.316 -33.590 1.025 1.00 0.00 N ATOM 1281 CD2 HIS A 80 10.553 -32.497 2.482 1.00 0.00 C ATOM 1282 CE1 HIS A 80 10.119 -34.458 1.668 1.00 0.00 C ATOM 1283 NE2 HIS A 80 10.893 -33.844 2.567 1.00 0.00 N ATOM 0 H HIS A 80 8.245 -29.357 -1.350 1.00 0.00 H new ATOM 0 HA HIS A 80 10.594 -30.463 -0.061 1.00 0.00 H new ATOM 0 HB2 HIS A 80 8.875 -30.324 1.803 1.00 0.00 H new ATOM 0 HB3 HIS A 80 7.810 -31.334 0.846 1.00 0.00 H new ATOM 0 HD2 HIS A 80 10.990 -31.706 3.074 1.00 0.00 H new ATOM 0 HE1 HIS A 80 10.136 -35.521 1.480 1.00 0.00 H new ATOM 0 HE2 HIS A 80 11.585 -34.271 3.183 1.00 0.00 H new ATOM 1291 N HIS A 81 10.213 -31.574 -2.350 1.00 0.00 N ATOM 1292 CA HIS A 81 10.133 -32.503 -3.474 1.00 0.00 C ATOM 1293 C HIS A 81 8.690 -32.641 -3.955 1.00 0.00 C ATOM 1294 O HIS A 81 8.102 -31.685 -4.461 1.00 0.00 O ATOM 1295 CB HIS A 81 10.671 -33.873 -3.055 1.00 0.00 C ATOM 1296 CG HIS A 81 10.617 -34.812 -4.229 1.00 0.00 C ATOM 1297 ND1 HIS A 81 9.666 -35.815 -4.333 1.00 0.00 N ATOM 1298 CD2 HIS A 81 11.392 -34.912 -5.358 1.00 0.00 C ATOM 1299 CE1 HIS A 81 9.889 -36.469 -5.487 1.00 0.00 C ATOM 1300 NE2 HIS A 81 10.931 -35.959 -6.152 1.00 0.00 N ATOM 0 H HIS A 81 10.984 -30.908 -2.404 1.00 0.00 H new ATOM 0 HA HIS A 81 10.737 -32.111 -4.292 1.00 0.00 H new ATOM 0 HB2 HIS A 81 11.696 -33.779 -2.697 1.00 0.00 H new ATOM 0 HB3 HIS A 81 10.081 -34.271 -2.230 1.00 0.00 H new ATOM 0 HD2 HIS A 81 12.232 -34.275 -5.594 1.00 0.00 H new ATOM 0 HE1 HIS A 81 9.299 -37.304 -5.834 1.00 0.00 H new ATOM 0 HE2 HIS A 81 11.307 -36.270 -7.048 1.00 0.00 H new ATOM 1308 N HIS A 82 8.124 -33.835 -3.793 1.00 0.00 N ATOM 1309 CA HIS A 82 6.751 -34.086 -4.215 1.00 0.00 C ATOM 1310 C HIS A 82 6.488 -33.469 -5.586 1.00 0.00 C ATOM 1311 O HIS A 82 7.415 -33.043 -6.274 1.00 0.00 O ATOM 1312 CB HIS A 82 5.777 -33.497 -3.191 1.00 0.00 C ATOM 1313 CG HIS A 82 5.802 -34.329 -1.937 1.00 0.00 C ATOM 1314 ND1 HIS A 82 6.827 -34.238 -1.008 1.00 0.00 N ATOM 1315 CD2 HIS A 82 4.934 -35.271 -1.445 1.00 0.00 C ATOM 1316 CE1 HIS A 82 6.553 -35.103 -0.015 1.00 0.00 C ATOM 1317 NE2 HIS A 82 5.410 -35.759 -0.231 1.00 0.00 N ATOM 0 H HIS A 82 8.593 -34.639 -3.375 1.00 0.00 H new ATOM 0 HA HIS A 82 6.602 -35.164 -4.282 1.00 0.00 H new ATOM 0 HB2 HIS A 82 6.052 -32.467 -2.962 1.00 0.00 H new ATOM 0 HB3 HIS A 82 4.769 -33.473 -3.604 1.00 0.00 H new ATOM 0 HD1 HIS A 82 7.641 -33.626 -1.067 1.00 0.00 H new ATOM 0 HD2 HIS A 82 4.020 -35.586 -1.926 1.00 0.00 H new ATOM 0 HE1 HIS A 82 7.181 -35.249 0.851 1.00 0.00 H new ATOM 1325 N HIS A 83 5.220 -33.426 -5.976 1.00 0.00 N ATOM 1326 CA HIS A 83 4.848 -32.860 -7.266 1.00 0.00 C ATOM 1327 C HIS A 83 5.188 -31.373 -7.317 1.00 0.00 C ATOM 1328 O HIS A 83 5.755 -30.949 -8.310 1.00 0.00 O ATOM 1329 CB HIS A 83 3.351 -33.052 -7.508 1.00 0.00 C ATOM 1330 CG HIS A 83 3.060 -34.514 -7.710 1.00 0.00 C ATOM 1331 ND1 HIS A 83 2.847 -35.378 -6.647 1.00 0.00 N ATOM 1332 CD2 HIS A 83 2.942 -35.278 -8.844 1.00 0.00 C ATOM 1333 CE1 HIS A 83 2.615 -36.600 -7.159 1.00 0.00 C ATOM 1334 NE2 HIS A 83 2.661 -36.595 -8.494 1.00 0.00 N ATOM 1335 OXT HIS A 83 4.878 -30.683 -6.361 1.00 0.00 O ATOM 0 H HIS A 83 4.437 -33.774 -5.422 1.00 0.00 H new ATOM 0 HA HIS A 83 5.410 -33.376 -8.044 1.00 0.00 H new ATOM 0 HB2 HIS A 83 2.783 -32.671 -6.660 1.00 0.00 H new ATOM 0 HB3 HIS A 83 3.037 -32.483 -8.383 1.00 0.00 H new ATOM 0 HD2 HIS A 83 3.051 -34.913 -9.854 1.00 0.00 H new ATOM 0 HE1 HIS A 83 2.416 -37.478 -6.563 1.00 0.00 H new ATOM 0 HE2 HIS A 83 2.520 -37.386 -9.122 1.00 0.00 H new TER 1343 HIS A 83