USER MOD reduce.3.24.130724 H: found=0, std=0, add=813, rem=0, adj=33 USER MOD reduce.3.24.130724 removed 814 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 81 LYS NZ :NH3+ 177:sc= 1.21 (180deg=-0.0261) USER MOD Set 1.2: A 83 SER OG : rot -90:sc= 1.02 USER MOD Set 2.1: A 57 ASN : amide:sc= 1.09 K(o=2.3,f=-2.1) USER MOD Set 2.2: A 90 THR OG1 : rot -62:sc= 1.21 USER MOD Set 3.1: A 10 LYS NZ :NH3+ -161:sc= -0.764 (180deg=-1.36) USER MOD Set 3.2: A 35 ASN : amide:sc= 1.35 K(o=0.58,f=-2.9) USER MOD Single : A 6 THR OG1 : rot 78:sc= 1.26 USER MOD Single : A 8 GLN : amide:sc= -0.932 K(o=-0.93,f=-0.23) USER MOD Single : A 9 LYS NZ :NH3+ -168:sc=-0.00152 (180deg=-0.178) USER MOD Single : A 11 HIS : no HE2:sc= 1.19 K(o=1.2,f=-3.6!) USER MOD Single : A 13 THR OG1 : rot -140:sc= 0 USER MOD Single : A 14 ASN : amide:sc= -0.0664 X(o=-0.066,f=-0.016) USER MOD Single : A 15 THR OG1 : rot 180:sc= 0 USER MOD Single : A 22 ASN : amide:sc= -0.355 K(o=-0.35,f=-2!) USER MOD Single : A 25 SER OG : rot -118:sc= 0.979 USER MOD Single : A 26 THR OG1 : rot -87:sc= 1.25 USER MOD Single : A 27 ASN : amide:sc= -0.0321 X(o=-0.032,f=-0.036) USER MOD Single : A 30 HIS : no HE2:sc= -0.484 X(o=-0.48,f=-0.74) USER MOD Single : A 32 LYS NZ :NH3+ -102:sc= -2.17 (180deg=-5.11!) USER MOD Single : A 34 LYS NZ :NH3+ 166:sc= -0.42! (180deg=-0.662!) USER MOD Single : A 36 THR OG1 : rot -47:sc= 0.745 USER MOD Single : A 39 TYR OH : rot 180:sc= 0 USER MOD Single : A 40 SER OG : rot 180:sc= 0 USER MOD Single : A 46 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 50 LYS NZ :NH3+ -173:sc= 0 (180deg=-0.0409) USER MOD Single : A 55 SER OG : rot -112:sc= 1.42 USER MOD Single : A 56 LYS NZ :NH3+ 175:sc= 0 (180deg=-0.0198) USER MOD Single : A 60 THR OG1 : rot -80:sc= 0.803 USER MOD Single : A 61 THR OG1 : rot 180:sc= 0.0423 USER MOD Single : A 62 SER OG : rot 180:sc= 0 USER MOD Single : A 65 TYR OH : rot 180:sc= 0 USER MOD Single : A 67 SER OG : rot -159:sc= 1.23 USER MOD Single : A 70 ASN : amide:sc= 0.991 K(o=0.99,f=-0.96) USER MOD Single : A 72 THR OG1 : rot -74:sc= 0.99 USER MOD Single : A 73 SER OG : rot 180:sc= 0 USER MOD Single : A 77 LYS NZ :NH3+ 162:sc= 1.23 (180deg=1.14) USER MOD Single : A 78 TYR OH : rot 180:sc= -3.08! USER MOD Single : A 79 LYS NZ :NH3+ 178:sc= 0 (180deg=-0.00638) USER MOD Single : A 82 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 84 THR OG1 : rot 180:sc= 0 USER MOD Single : A 85 ASN : amide:sc= -0.0417 K(o=-0.042,f=-6.6!) USER MOD Single : A 86 LYS NZ :NH3+ 131:sc= 1.19 (180deg=-0.622) USER MOD Single : A 93 ASN : amide:sc= -0.421 X(o=-0.42,f=-0.03) USER MOD Single : A 94 GLN : amide:sc= -1.54 K(o=-1.5,f=-2.1) USER MOD Single : A 98 HIS : no HD1:sc= -2.26! K(o=-2.3!,f=-0.53) USER MOD Single : A 104 SER OG : rot 180:sc= -0.0626 USER MOD ----------------------------------------------------------------- ATOM 37 N ASP A 3 -5.965 10.698 0.552 1.00 0.48 N ATOM 38 CA ASP A 3 -7.065 10.278 -0.300 1.00 0.44 C ATOM 39 C ASP A 3 -6.644 9.114 -1.184 1.00 0.32 C ATOM 40 O ASP A 3 -5.527 8.613 -1.069 1.00 0.32 O ATOM 41 CB ASP A 3 -7.510 11.444 -1.183 1.00 0.55 C ATOM 42 CG ASP A 3 -6.482 11.772 -2.248 1.00 1.30 C ATOM 43 OD1 ASP A 3 -5.418 12.329 -1.906 1.00 1.67 O ATOM 44 OD2 ASP A 3 -6.727 11.456 -3.422 1.00 1.97 O ATOM 0 HA ASP A 3 -7.891 9.960 0.337 1.00 0.44 H new ATOM 0 HB2 ASP A 3 -8.459 11.197 -1.659 1.00 0.55 H new ATOM 0 HB3 ASP A 3 -7.683 12.323 -0.563 1.00 0.55 H new ATOM 49 N TRP A 4 -7.539 8.723 -2.082 1.00 0.32 N ATOM 50 CA TRP A 4 -7.335 7.572 -2.950 1.00 0.27 C ATOM 51 C TRP A 4 -6.164 7.781 -3.912 1.00 0.24 C ATOM 52 O TRP A 4 -5.396 6.856 -4.173 1.00 0.25 O ATOM 53 CB TRP A 4 -8.624 7.281 -3.726 1.00 0.29 C ATOM 54 CG TRP A 4 -8.509 6.140 -4.693 1.00 0.28 C ATOM 55 CD1 TRP A 4 -8.842 6.155 -6.016 1.00 0.33 C ATOM 56 CD2 TRP A 4 -8.028 4.821 -4.416 1.00 0.23 C ATOM 57 NE1 TRP A 4 -8.597 4.927 -6.577 1.00 0.32 N ATOM 58 CE2 TRP A 4 -8.095 4.093 -5.617 1.00 0.25 C ATOM 59 CE3 TRP A 4 -7.546 4.183 -3.271 1.00 0.20 C ATOM 60 CZ2 TRP A 4 -7.698 2.767 -5.703 1.00 0.24 C ATOM 61 CZ3 TRP A 4 -7.154 2.861 -3.359 1.00 0.20 C ATOM 62 CH2 TRP A 4 -7.232 2.165 -4.567 1.00 0.22 C ATOM 0 H TRP A 4 -8.430 9.197 -2.229 1.00 0.32 H new ATOM 0 HA TRP A 4 -7.084 6.716 -2.324 1.00 0.27 H new ATOM 0 HB2 TRP A 4 -9.422 7.063 -3.016 1.00 0.29 H new ATOM 0 HB3 TRP A 4 -8.918 8.178 -4.271 1.00 0.29 H new ATOM 0 HD1 TRP A 4 -9.240 7.009 -6.544 1.00 0.33 H new ATOM 0 HE1 TRP A 4 -8.763 4.677 -7.552 1.00 0.32 H new ATOM 0 HE3 TRP A 4 -7.481 4.714 -2.333 1.00 0.20 H new ATOM 0 HZ2 TRP A 4 -7.755 2.227 -6.637 1.00 0.24 H new ATOM 0 HZ3 TRP A 4 -6.781 2.358 -2.479 1.00 0.20 H new ATOM 0 HH2 TRP A 4 -6.919 1.132 -4.605 1.00 0.22 H new ATOM 73 N LEU A 5 -6.019 8.992 -4.431 1.00 0.28 N ATOM 74 CA LEU A 5 -4.948 9.291 -5.370 1.00 0.32 C ATOM 75 C LEU A 5 -3.596 9.241 -4.674 1.00 0.32 C ATOM 76 O LEU A 5 -2.629 8.696 -5.209 1.00 0.35 O ATOM 77 CB LEU A 5 -5.164 10.663 -6.018 1.00 0.42 C ATOM 78 CG LEU A 5 -6.286 10.742 -7.062 1.00 0.54 C ATOM 79 CD1 LEU A 5 -6.058 9.721 -8.167 1.00 0.75 C ATOM 80 CD2 LEU A 5 -7.658 10.550 -6.428 1.00 0.84 C ATOM 0 H LEU A 5 -6.628 9.782 -4.218 1.00 0.28 H new ATOM 0 HA LEU A 5 -4.962 8.534 -6.154 1.00 0.32 H new ATOM 0 HB2 LEU A 5 -5.376 11.386 -5.230 1.00 0.42 H new ATOM 0 HB3 LEU A 5 -4.231 10.971 -6.491 1.00 0.42 H new ATOM 0 HG LEU A 5 -6.263 11.741 -7.498 1.00 0.54 H new ATOM 0 HD11 LEU A 5 -6.863 9.791 -8.899 1.00 0.75 H new ATOM 0 HD12 LEU A 5 -5.105 9.921 -8.656 1.00 0.75 H new ATOM 0 HD13 LEU A 5 -6.043 8.719 -7.739 1.00 0.75 H new ATOM 0 HD21 LEU A 5 -8.427 10.612 -7.198 1.00 0.84 H new ATOM 0 HD22 LEU A 5 -7.704 9.572 -5.948 1.00 0.84 H new ATOM 0 HD23 LEU A 5 -7.827 11.328 -5.683 1.00 0.84 H new ATOM 92 N THR A 6 -3.538 9.792 -3.470 1.00 0.34 N ATOM 93 CA THR A 6 -2.322 9.762 -2.674 1.00 0.40 C ATOM 94 C THR A 6 -2.033 8.338 -2.191 1.00 0.35 C ATOM 95 O THR A 6 -0.879 7.898 -2.149 1.00 0.37 O ATOM 96 CB THR A 6 -2.442 10.716 -1.471 1.00 0.52 C ATOM 97 OG1 THR A 6 -2.826 12.019 -1.933 1.00 0.59 O ATOM 98 CG2 THR A 6 -1.126 10.814 -0.710 1.00 0.61 C ATOM 0 H THR A 6 -4.322 10.266 -3.023 1.00 0.34 H new ATOM 0 HA THR A 6 -1.494 10.093 -3.301 1.00 0.40 H new ATOM 0 HB THR A 6 -3.199 10.320 -0.794 1.00 0.52 H new ATOM 0 HG1 THR A 6 -3.787 12.028 -2.124 1.00 0.59 H new ATOM 0 HG21 THR A 6 -1.243 11.495 0.133 1.00 0.61 H new ATOM 0 HG22 THR A 6 -0.843 9.827 -0.343 1.00 0.61 H new ATOM 0 HG23 THR A 6 -0.348 11.190 -1.375 1.00 0.61 H new ATOM 106 N PHE A 7 -3.096 7.623 -1.844 1.00 0.29 N ATOM 107 CA PHE A 7 -3.000 6.230 -1.429 1.00 0.26 C ATOM 108 C PHE A 7 -2.407 5.389 -2.554 1.00 0.23 C ATOM 109 O PHE A 7 -1.539 4.547 -2.323 1.00 0.24 O ATOM 110 CB PHE A 7 -4.398 5.714 -1.056 1.00 0.24 C ATOM 111 CG PHE A 7 -4.420 4.357 -0.409 1.00 0.24 C ATOM 112 CD1 PHE A 7 -4.345 3.213 -1.185 1.00 0.22 C ATOM 113 CD2 PHE A 7 -4.505 4.225 0.969 1.00 0.28 C ATOM 114 CE1 PHE A 7 -4.357 1.961 -0.600 1.00 0.23 C ATOM 115 CE2 PHE A 7 -4.517 2.974 1.559 1.00 0.29 C ATOM 116 CZ PHE A 7 -4.479 1.855 0.802 1.00 0.27 C ATOM 0 H PHE A 7 -4.047 7.992 -1.842 1.00 0.29 H new ATOM 0 HA PHE A 7 -2.346 6.153 -0.560 1.00 0.26 H new ATOM 0 HB2 PHE A 7 -4.865 6.430 -0.380 1.00 0.24 H new ATOM 0 HB3 PHE A 7 -5.010 5.681 -1.958 1.00 0.24 H new ATOM 0 HD1 PHE A 7 -4.276 3.300 -2.259 1.00 0.22 H new ATOM 0 HD2 PHE A 7 -4.562 5.108 1.588 1.00 0.28 H new ATOM 0 HE1 PHE A 7 -4.274 1.073 -1.209 1.00 0.23 H new ATOM 0 HE2 PHE A 7 -4.557 2.891 2.635 1.00 0.29 H new ATOM 0 HZ PHE A 7 -4.542 0.883 1.268 1.00 0.27 H new ATOM 126 N GLN A 8 -2.875 5.640 -3.771 1.00 0.23 N ATOM 127 CA GLN A 8 -2.416 4.923 -4.948 1.00 0.24 C ATOM 128 C GLN A 8 -0.913 5.037 -5.142 1.00 0.24 C ATOM 129 O GLN A 8 -0.207 4.032 -5.130 1.00 0.25 O ATOM 130 CB GLN A 8 -3.110 5.460 -6.186 1.00 0.27 C ATOM 131 CG GLN A 8 -4.412 4.757 -6.516 1.00 0.27 C ATOM 132 CD GLN A 8 -5.097 5.348 -7.728 1.00 0.32 C ATOM 133 OE1 GLN A 8 -4.853 4.933 -8.862 1.00 0.61 O ATOM 134 NE2 GLN A 8 -5.956 6.324 -7.498 1.00 0.45 N ATOM 0 H GLN A 8 -3.584 6.347 -3.967 1.00 0.23 H new ATOM 0 HA GLN A 8 -2.662 3.872 -4.796 1.00 0.24 H new ATOM 0 HB2 GLN A 8 -3.308 6.523 -6.047 1.00 0.27 H new ATOM 0 HB3 GLN A 8 -2.434 5.370 -7.037 1.00 0.27 H new ATOM 0 HG2 GLN A 8 -4.216 3.700 -6.693 1.00 0.27 H new ATOM 0 HG3 GLN A 8 -5.082 4.818 -5.658 1.00 0.27 H new ATOM 0 HE21 GLN A 8 -6.128 6.637 -6.543 1.00 0.45 H new ATOM 0 HE22 GLN A 8 -6.447 6.765 -8.276 1.00 0.45 H new ATOM 143 N LYS A 9 -0.435 6.263 -5.315 1.00 0.26 N ATOM 144 CA LYS A 9 0.978 6.518 -5.588 1.00 0.29 C ATOM 145 C LYS A 9 1.880 5.799 -4.586 1.00 0.29 C ATOM 146 O LYS A 9 2.952 5.305 -4.932 1.00 0.33 O ATOM 147 CB LYS A 9 1.250 8.020 -5.519 1.00 0.32 C ATOM 148 CG LYS A 9 0.453 8.844 -6.516 1.00 0.33 C ATOM 149 CD LYS A 9 0.486 10.317 -6.150 1.00 0.67 C ATOM 150 CE LYS A 9 -0.277 11.173 -7.150 1.00 1.20 C ATOM 151 NZ LYS A 9 0.308 11.100 -8.514 1.00 1.88 N ATOM 0 H LYS A 9 -1.009 7.105 -5.271 1.00 0.26 H new ATOM 0 HA LYS A 9 1.201 6.138 -6.585 1.00 0.29 H new ATOM 0 HB2 LYS A 9 1.026 8.372 -4.512 1.00 0.32 H new ATOM 0 HB3 LYS A 9 2.313 8.194 -5.689 1.00 0.32 H new ATOM 0 HG2 LYS A 9 0.861 8.705 -7.517 1.00 0.33 H new ATOM 0 HG3 LYS A 9 -0.579 8.494 -6.540 1.00 0.33 H new ATOM 0 HD2 LYS A 9 0.058 10.453 -5.157 1.00 0.67 H new ATOM 0 HD3 LYS A 9 1.521 10.655 -6.100 1.00 0.67 H new ATOM 0 HE2 LYS A 9 -1.317 10.848 -7.185 1.00 1.20 H new ATOM 0 HE3 LYS A 9 -0.278 12.209 -6.812 1.00 1.20 H new ATOM 0 HZ1 LYS A 9 -0.108 11.843 -9.110 1.00 1.88 H new ATOM 0 HZ2 LYS A 9 1.337 11.237 -8.458 1.00 1.88 H new ATOM 0 HZ3 LYS A 9 0.105 10.169 -8.930 1.00 1.88 H new ATOM 165 N LYS A 10 1.422 5.752 -3.345 1.00 0.28 N ATOM 166 CA LYS A 10 2.229 5.236 -2.244 1.00 0.30 C ATOM 167 C LYS A 10 2.011 3.748 -1.965 1.00 0.26 C ATOM 168 O LYS A 10 2.826 3.126 -1.282 1.00 0.29 O ATOM 169 CB LYS A 10 1.967 6.053 -0.975 1.00 0.38 C ATOM 170 CG LYS A 10 2.445 7.493 -1.074 1.00 0.63 C ATOM 171 CD LYS A 10 2.335 8.227 0.256 1.00 0.73 C ATOM 172 CE LYS A 10 3.594 8.074 1.109 1.00 1.10 C ATOM 173 NZ LYS A 10 3.838 6.672 1.546 1.00 1.34 N ATOM 0 H LYS A 10 0.491 6.066 -3.071 1.00 0.28 H new ATOM 0 HA LYS A 10 3.270 5.339 -2.552 1.00 0.30 H new ATOM 0 HB2 LYS A 10 0.898 6.047 -0.762 1.00 0.38 H new ATOM 0 HB3 LYS A 10 2.463 5.571 -0.133 1.00 0.38 H new ATOM 0 HG2 LYS A 10 3.482 7.508 -1.411 1.00 0.63 H new ATOM 0 HG3 LYS A 10 1.858 8.018 -1.827 1.00 0.63 H new ATOM 0 HD2 LYS A 10 2.151 9.285 0.070 1.00 0.73 H new ATOM 0 HD3 LYS A 10 1.476 7.846 0.809 1.00 0.73 H new ATOM 0 HE2 LYS A 10 4.455 8.426 0.541 1.00 1.10 H new ATOM 0 HE3 LYS A 10 3.509 8.713 1.988 1.00 1.10 H new ATOM 0 HZ1 LYS A 10 4.488 6.670 2.358 1.00 1.34 H new ATOM 0 HZ2 LYS A 10 2.937 6.233 1.823 1.00 1.34 H new ATOM 0 HZ3 LYS A 10 4.260 6.133 0.763 1.00 1.34 H new ATOM 187 N HIS A 11 0.925 3.165 -2.462 1.00 0.25 N ATOM 188 CA HIS A 11 0.601 1.786 -2.099 1.00 0.24 C ATOM 189 C HIS A 11 0.321 0.892 -3.302 1.00 0.23 C ATOM 190 O HIS A 11 0.331 -0.324 -3.174 1.00 0.26 O ATOM 191 CB HIS A 11 -0.604 1.735 -1.153 1.00 0.26 C ATOM 192 CG HIS A 11 -0.341 2.309 0.203 1.00 0.28 C ATOM 193 ND1 HIS A 11 0.472 1.699 1.138 1.00 0.29 N ATOM 194 CD2 HIS A 11 -0.792 3.445 0.786 1.00 0.35 C ATOM 195 CE1 HIS A 11 0.506 2.434 2.234 1.00 0.34 C ATOM 196 NE2 HIS A 11 -0.253 3.498 2.046 1.00 0.37 N ATOM 0 H HIS A 11 0.267 3.611 -3.102 1.00 0.25 H new ATOM 0 HA HIS A 11 1.490 1.402 -1.600 1.00 0.24 H new ATOM 0 HB2 HIS A 11 -1.434 2.275 -1.609 1.00 0.26 H new ATOM 0 HB3 HIS A 11 -0.921 0.698 -1.042 1.00 0.26 H new ATOM 0 HD1 HIS A 11 0.969 0.818 1.003 1.00 0.29 H new ATOM 0 HD2 HIS A 11 -1.453 4.174 0.341 1.00 0.35 H new ATOM 0 HE1 HIS A 11 1.060 2.204 3.132 1.00 0.34 H new ATOM 205 N ILE A 12 0.083 1.466 -4.465 1.00 0.23 N ATOM 206 CA ILE A 12 -0.300 0.666 -5.619 1.00 0.24 C ATOM 207 C ILE A 12 0.896 0.423 -6.530 1.00 0.23 C ATOM 208 O ILE A 12 1.398 1.344 -7.182 1.00 0.30 O ATOM 209 CB ILE A 12 -1.443 1.334 -6.418 1.00 0.28 C ATOM 210 CG1 ILE A 12 -2.687 1.492 -5.540 1.00 0.36 C ATOM 211 CG2 ILE A 12 -1.778 0.536 -7.668 1.00 0.28 C ATOM 212 CD1 ILE A 12 -3.235 0.185 -5.006 1.00 0.48 C ATOM 0 H ILE A 12 0.146 2.469 -4.638 1.00 0.23 H new ATOM 0 HA ILE A 12 -0.660 -0.292 -5.244 1.00 0.24 H new ATOM 0 HB ILE A 12 -1.103 2.322 -6.728 1.00 0.28 H new ATOM 0 HG12 ILE A 12 -2.446 2.143 -4.700 1.00 0.36 H new ATOM 0 HG13 ILE A 12 -3.465 1.992 -6.117 1.00 0.36 H new ATOM 0 HG21 ILE A 12 -2.585 1.030 -8.209 1.00 0.28 H new ATOM 0 HG22 ILE A 12 -0.897 0.474 -8.307 1.00 0.28 H new ATOM 0 HG23 ILE A 12 -2.092 -0.469 -7.385 1.00 0.28 H new ATOM 0 HD11 ILE A 12 -4.115 0.382 -4.394 1.00 0.48 H new ATOM 0 HD12 ILE A 12 -3.510 -0.462 -5.839 1.00 0.48 H new ATOM 0 HD13 ILE A 12 -2.475 -0.308 -4.400 1.00 0.48 H new ATOM 224 N THR A 13 1.357 -0.820 -6.561 1.00 0.20 N ATOM 225 CA THR A 13 2.479 -1.192 -7.400 1.00 0.21 C ATOM 226 C THR A 13 2.067 -2.306 -8.361 1.00 0.22 C ATOM 227 O THR A 13 1.148 -3.078 -8.082 1.00 0.24 O ATOM 228 CB THR A 13 3.707 -1.633 -6.568 1.00 0.21 C ATOM 229 OG1 THR A 13 4.848 -1.789 -7.422 1.00 0.30 O ATOM 230 CG2 THR A 13 3.447 -2.940 -5.831 1.00 0.21 C ATOM 0 H THR A 13 0.968 -1.587 -6.012 1.00 0.20 H new ATOM 0 HA THR A 13 2.771 -0.309 -7.968 1.00 0.21 H new ATOM 0 HB THR A 13 3.899 -0.856 -5.828 1.00 0.21 H new ATOM 0 HG1 THR A 13 5.358 -2.579 -7.146 1.00 0.30 H new ATOM 0 HG21 THR A 13 4.332 -3.217 -5.258 1.00 0.21 H new ATOM 0 HG22 THR A 13 2.602 -2.814 -5.155 1.00 0.21 H new ATOM 0 HG23 THR A 13 3.221 -3.726 -6.552 1.00 0.21 H new ATOM 238 N ASN A 14 2.746 -2.376 -9.493 1.00 0.28 N ATOM 239 CA ASN A 14 2.401 -3.331 -10.535 1.00 0.33 C ATOM 240 C ASN A 14 3.461 -4.421 -10.644 1.00 0.32 C ATOM 241 O ASN A 14 3.449 -5.223 -11.580 1.00 0.36 O ATOM 242 CB ASN A 14 2.242 -2.605 -11.878 1.00 0.46 C ATOM 243 CG ASN A 14 3.532 -1.954 -12.351 1.00 1.36 C ATOM 244 OD1 ASN A 14 4.314 -2.558 -13.084 1.00 2.20 O ATOM 245 ND2 ASN A 14 3.760 -0.715 -11.941 1.00 2.08 N ATOM 0 H ASN A 14 3.543 -1.780 -9.716 1.00 0.28 H new ATOM 0 HA ASN A 14 1.455 -3.804 -10.272 1.00 0.33 H new ATOM 0 HB2 ASN A 14 1.901 -3.315 -12.632 1.00 0.46 H new ATOM 0 HB3 ASN A 14 1.468 -1.843 -11.785 1.00 0.46 H new ATOM 0 HD21 ASN A 14 4.608 -0.229 -12.233 1.00 2.08 H new ATOM 0 HD22 ASN A 14 3.088 -0.247 -11.333 1.00 2.08 H new ATOM 252 N THR A 15 4.357 -4.461 -9.670 1.00 0.33 N ATOM 253 CA THR A 15 5.448 -5.422 -9.667 1.00 0.36 C ATOM 254 C THR A 15 5.615 -6.021 -8.268 1.00 0.33 C ATOM 255 O THR A 15 5.351 -5.351 -7.269 1.00 0.36 O ATOM 256 CB THR A 15 6.765 -4.751 -10.137 1.00 0.42 C ATOM 257 OG1 THR A 15 7.844 -5.695 -10.188 1.00 0.48 O ATOM 258 CG2 THR A 15 7.145 -3.595 -9.224 1.00 0.43 C ATOM 0 H THR A 15 4.349 -3.834 -8.866 1.00 0.33 H new ATOM 0 HA THR A 15 5.210 -6.226 -10.364 1.00 0.36 H new ATOM 0 HB THR A 15 6.588 -4.368 -11.142 1.00 0.42 H new ATOM 0 HG1 THR A 15 8.660 -5.243 -10.489 1.00 0.48 H new ATOM 0 HG21 THR A 15 8.072 -3.143 -9.576 1.00 0.43 H new ATOM 0 HG22 THR A 15 6.351 -2.849 -9.232 1.00 0.43 H new ATOM 0 HG23 THR A 15 7.285 -3.965 -8.208 1.00 0.43 H new ATOM 266 N ARG A 16 6.010 -7.292 -8.200 1.00 0.32 N ATOM 267 CA ARG A 16 6.212 -7.954 -6.915 1.00 0.31 C ATOM 268 C ARG A 16 7.360 -7.318 -6.145 1.00 0.33 C ATOM 269 O ARG A 16 7.195 -6.905 -5.001 1.00 0.45 O ATOM 270 CB ARG A 16 6.467 -9.452 -7.089 1.00 0.36 C ATOM 271 CG ARG A 16 5.243 -10.225 -7.532 1.00 0.45 C ATOM 272 CD ARG A 16 4.123 -10.081 -6.519 1.00 0.38 C ATOM 273 NE ARG A 16 4.434 -10.717 -5.238 1.00 0.32 N ATOM 274 CZ ARG A 16 4.368 -10.092 -4.059 1.00 0.40 C ATOM 275 NH1 ARG A 16 4.065 -8.800 -4.006 1.00 0.49 N ATOM 276 NH2 ARG A 16 4.610 -10.754 -2.936 1.00 0.51 N ATOM 0 H ARG A 16 6.195 -7.879 -9.014 1.00 0.32 H new ATOM 0 HA ARG A 16 5.293 -7.827 -6.342 1.00 0.31 H new ATOM 0 HB2 ARG A 16 7.262 -9.595 -7.821 1.00 0.36 H new ATOM 0 HB3 ARG A 16 6.825 -9.864 -6.145 1.00 0.36 H new ATOM 0 HG2 ARG A 16 4.910 -9.862 -8.504 1.00 0.45 H new ATOM 0 HG3 ARG A 16 5.496 -11.278 -7.654 1.00 0.45 H new ATOM 0 HD2 ARG A 16 3.921 -9.023 -6.355 1.00 0.38 H new ATOM 0 HD3 ARG A 16 3.212 -10.520 -6.926 1.00 0.38 H new ATOM 0 HE ARG A 16 4.718 -11.697 -5.246 1.00 0.32 H new ATOM 0 HH11 ARG A 16 3.882 -8.283 -4.866 1.00 0.49 H new ATOM 0 HH12 ARG A 16 4.015 -8.324 -3.105 1.00 0.49 H new ATOM 0 HH21 ARG A 16 4.848 -11.745 -2.970 1.00 0.51 H new ATOM 0 HH22 ARG A 16 4.558 -10.272 -2.039 1.00 0.51 H new ATOM 290 N ASP A 17 8.526 -7.248 -6.758 1.00 0.37 N ATOM 291 CA ASP A 17 9.650 -6.587 -6.147 1.00 0.42 C ATOM 292 C ASP A 17 9.717 -5.140 -6.612 1.00 0.36 C ATOM 293 O ASP A 17 10.308 -4.814 -7.643 1.00 0.46 O ATOM 294 CB ASP A 17 10.953 -7.336 -6.446 1.00 0.60 C ATOM 295 CG ASP A 17 11.253 -7.487 -7.926 1.00 1.16 C ATOM 296 OD1 ASP A 17 10.431 -8.090 -8.646 1.00 1.94 O ATOM 297 OD2 ASP A 17 12.331 -7.033 -8.370 1.00 1.40 O ATOM 0 H ASP A 17 8.714 -7.643 -7.679 1.00 0.37 H new ATOM 0 HA ASP A 17 9.517 -6.591 -5.065 1.00 0.42 H new ATOM 0 HB2 ASP A 17 11.780 -6.809 -5.970 1.00 0.60 H new ATOM 0 HB3 ASP A 17 10.903 -8.326 -5.993 1.00 0.60 H new ATOM 302 N VAL A 18 9.041 -4.283 -5.866 1.00 0.31 N ATOM 303 CA VAL A 18 9.052 -2.857 -6.134 1.00 0.29 C ATOM 304 C VAL A 18 10.445 -2.287 -5.890 1.00 0.29 C ATOM 305 O VAL A 18 11.051 -2.531 -4.844 1.00 0.35 O ATOM 306 CB VAL A 18 7.989 -2.111 -5.281 1.00 0.36 C ATOM 307 CG1 VAL A 18 7.890 -2.686 -3.874 1.00 0.53 C ATOM 308 CG2 VAL A 18 8.294 -0.622 -5.220 1.00 0.58 C ATOM 0 H VAL A 18 8.473 -4.554 -5.063 1.00 0.31 H new ATOM 0 HA VAL A 18 8.792 -2.706 -7.182 1.00 0.29 H new ATOM 0 HB VAL A 18 7.025 -2.254 -5.769 1.00 0.36 H new ATOM 0 HG11 VAL A 18 7.136 -2.138 -3.309 1.00 0.53 H new ATOM 0 HG12 VAL A 18 7.608 -3.737 -3.930 1.00 0.53 H new ATOM 0 HG13 VAL A 18 8.855 -2.595 -3.375 1.00 0.53 H new ATOM 0 HG21 VAL A 18 7.537 -0.120 -4.618 1.00 0.58 H new ATOM 0 HG22 VAL A 18 9.275 -0.470 -4.770 1.00 0.58 H new ATOM 0 HG23 VAL A 18 8.289 -0.208 -6.228 1.00 0.58 H new ATOM 318 N ASP A 19 10.959 -1.560 -6.876 1.00 0.34 N ATOM 319 CA ASP A 19 12.300 -0.995 -6.800 1.00 0.41 C ATOM 320 C ASP A 19 12.352 0.167 -5.813 1.00 0.39 C ATOM 321 O ASP A 19 12.236 1.337 -6.188 1.00 0.46 O ATOM 322 CB ASP A 19 12.765 -0.546 -8.187 1.00 0.58 C ATOM 323 CG ASP A 19 14.206 -0.073 -8.218 1.00 1.11 C ATOM 324 OD1 ASP A 19 14.940 -0.278 -7.228 1.00 1.28 O ATOM 325 OD2 ASP A 19 14.619 0.488 -9.256 1.00 1.91 O ATOM 0 H ASP A 19 10.463 -1.348 -7.742 1.00 0.34 H new ATOM 0 HA ASP A 19 12.976 -1.770 -6.438 1.00 0.41 H new ATOM 0 HB2 ASP A 19 12.647 -1.374 -8.887 1.00 0.58 H new ATOM 0 HB3 ASP A 19 12.119 0.260 -8.535 1.00 0.58 H new ATOM 330 N CYS A 20 12.483 -0.183 -4.544 1.00 0.38 N ATOM 331 CA CYS A 20 12.545 0.783 -3.461 1.00 0.40 C ATOM 332 C CYS A 20 13.600 1.863 -3.681 1.00 0.38 C ATOM 333 O CYS A 20 13.306 3.047 -3.542 1.00 0.39 O ATOM 334 CB CYS A 20 12.824 0.073 -2.151 1.00 0.51 C ATOM 335 SG CYS A 20 11.477 -1.008 -1.589 1.00 0.93 S ATOM 0 H CYS A 20 12.550 -1.153 -4.235 1.00 0.38 H new ATOM 0 HA CYS A 20 11.575 1.279 -3.431 1.00 0.40 H new ATOM 0 HB2 CYS A 20 13.731 -0.522 -2.259 1.00 0.51 H new ATOM 0 HB3 CYS A 20 13.022 0.819 -1.381 1.00 0.51 H new ATOM 340 N ASP A 21 14.822 1.457 -4.017 1.00 0.47 N ATOM 341 CA ASP A 21 15.951 2.394 -4.110 1.00 0.59 C ATOM 342 C ASP A 21 15.669 3.526 -5.095 1.00 0.53 C ATOM 343 O ASP A 21 16.259 4.599 -5.008 1.00 0.64 O ATOM 344 CB ASP A 21 17.235 1.660 -4.510 1.00 0.85 C ATOM 345 CG ASP A 21 18.481 2.487 -4.250 1.00 1.36 C ATOM 346 OD1 ASP A 21 18.855 2.641 -3.065 1.00 1.66 O ATOM 347 OD2 ASP A 21 19.099 2.979 -5.220 1.00 2.26 O ATOM 0 H ASP A 21 15.061 0.488 -4.230 1.00 0.47 H new ATOM 0 HA ASP A 21 16.085 2.834 -3.122 1.00 0.59 H new ATOM 0 HB2 ASP A 21 17.302 0.724 -3.956 1.00 0.85 H new ATOM 0 HB3 ASP A 21 17.188 1.402 -5.568 1.00 0.85 H new ATOM 352 N ASN A 22 14.755 3.291 -6.021 1.00 0.50 N ATOM 353 CA ASN A 22 14.389 4.305 -6.998 1.00 0.49 C ATOM 354 C ASN A 22 13.073 4.972 -6.620 1.00 0.42 C ATOM 355 O ASN A 22 12.979 6.195 -6.539 1.00 0.43 O ATOM 356 CB ASN A 22 14.275 3.673 -8.387 1.00 0.59 C ATOM 357 CG ASN A 22 14.147 4.689 -9.509 1.00 0.69 C ATOM 358 OD1 ASN A 22 13.623 5.789 -9.330 1.00 1.07 O ATOM 359 ND2 ASN A 22 14.626 4.320 -10.686 1.00 1.14 N ATOM 0 H ASN A 22 14.253 2.409 -6.118 1.00 0.50 H new ATOM 0 HA ASN A 22 15.168 5.067 -7.012 1.00 0.49 H new ATOM 0 HB2 ASN A 22 15.153 3.053 -8.568 1.00 0.59 H new ATOM 0 HB3 ASN A 22 13.409 3.012 -8.406 1.00 0.59 H new ATOM 0 HD21 ASN A 22 14.568 4.955 -11.482 1.00 1.14 H new ATOM 0 HD22 ASN A 22 15.054 3.401 -10.797 1.00 1.14 H new ATOM 366 N ILE A 23 12.058 4.166 -6.385 1.00 0.40 N ATOM 367 CA ILE A 23 10.735 4.688 -6.092 1.00 0.38 C ATOM 368 C ILE A 23 10.710 5.430 -4.751 1.00 0.33 C ATOM 369 O ILE A 23 10.143 6.517 -4.652 1.00 0.34 O ATOM 370 CB ILE A 23 9.676 3.559 -6.128 1.00 0.39 C ATOM 371 CG1 ILE A 23 9.602 2.984 -7.546 1.00 0.45 C ATOM 372 CG2 ILE A 23 8.311 4.072 -5.688 1.00 0.40 C ATOM 373 CD1 ILE A 23 8.613 1.852 -7.707 1.00 0.48 C ATOM 0 H ILE A 23 12.121 3.148 -6.391 1.00 0.40 H new ATOM 0 HA ILE A 23 10.483 5.410 -6.868 1.00 0.38 H new ATOM 0 HB ILE A 23 9.972 2.775 -5.431 1.00 0.39 H new ATOM 0 HG12 ILE A 23 9.336 3.784 -8.237 1.00 0.45 H new ATOM 0 HG13 ILE A 23 10.592 2.630 -7.834 1.00 0.45 H new ATOM 0 HG21 ILE A 23 7.588 3.257 -5.723 1.00 0.40 H new ATOM 0 HG22 ILE A 23 8.377 4.455 -4.670 1.00 0.40 H new ATOM 0 HG23 ILE A 23 7.990 4.871 -6.356 1.00 0.40 H new ATOM 0 HD11 ILE A 23 8.624 1.504 -8.740 1.00 0.48 H new ATOM 0 HD12 ILE A 23 8.888 1.031 -7.044 1.00 0.48 H new ATOM 0 HD13 ILE A 23 7.613 2.204 -7.453 1.00 0.48 H new ATOM 385 N LEU A 24 11.373 4.876 -3.741 1.00 0.30 N ATOM 386 CA LEU A 24 11.368 5.462 -2.404 1.00 0.29 C ATOM 387 C LEU A 24 12.352 6.615 -2.259 1.00 0.32 C ATOM 388 O LEU A 24 12.333 7.318 -1.246 1.00 0.33 O ATOM 389 CB LEU A 24 11.686 4.401 -1.355 1.00 0.31 C ATOM 390 CG LEU A 24 10.483 3.725 -0.712 1.00 0.38 C ATOM 391 CD1 LEU A 24 9.624 3.030 -1.744 1.00 1.03 C ATOM 392 CD2 LEU A 24 10.949 2.742 0.336 1.00 1.01 C ATOM 0 H LEU A 24 11.922 4.020 -3.823 1.00 0.30 H new ATOM 0 HA LEU A 24 10.365 5.859 -2.248 1.00 0.29 H new ATOM 0 HB2 LEU A 24 12.306 3.633 -1.818 1.00 0.31 H new ATOM 0 HB3 LEU A 24 12.284 4.862 -0.569 1.00 0.31 H new ATOM 0 HG LEU A 24 9.872 4.493 -0.238 1.00 0.38 H new ATOM 0 HD11 LEU A 24 8.774 2.558 -1.251 1.00 1.03 H new ATOM 0 HD12 LEU A 24 9.264 3.760 -2.469 1.00 1.03 H new ATOM 0 HD13 LEU A 24 10.214 2.270 -2.257 1.00 1.03 H new ATOM 0 HD21 LEU A 24 10.085 2.261 0.793 1.00 1.01 H new ATOM 0 HD22 LEU A 24 11.581 1.986 -0.130 1.00 1.01 H new ATOM 0 HD23 LEU A 24 11.518 3.269 1.102 1.00 1.01 H new ATOM 404 N SER A 25 13.217 6.812 -3.245 1.00 0.36 N ATOM 405 CA SER A 25 14.198 7.887 -3.156 1.00 0.41 C ATOM 406 C SER A 25 13.598 9.203 -3.641 1.00 0.42 C ATOM 407 O SER A 25 14.207 10.267 -3.512 1.00 0.49 O ATOM 408 CB SER A 25 15.468 7.537 -3.935 1.00 0.50 C ATOM 409 OG SER A 25 15.162 7.063 -5.231 1.00 1.28 O ATOM 0 H SER A 25 13.261 6.255 -4.099 1.00 0.36 H new ATOM 0 HA SER A 25 14.477 8.009 -2.109 1.00 0.41 H new ATOM 0 HB2 SER A 25 16.106 8.418 -4.009 1.00 0.50 H new ATOM 0 HB3 SER A 25 16.033 6.779 -3.392 1.00 0.50 H new ATOM 0 HG SER A 25 15.485 6.143 -5.327 1.00 1.28 H new ATOM 415 N THR A 26 12.388 9.124 -4.181 1.00 0.41 N ATOM 416 CA THR A 26 11.672 10.313 -4.610 1.00 0.46 C ATOM 417 C THR A 26 11.096 11.051 -3.404 1.00 0.45 C ATOM 418 O THR A 26 11.077 10.522 -2.288 1.00 0.45 O ATOM 419 CB THR A 26 10.527 9.963 -5.580 1.00 0.49 C ATOM 420 OG1 THR A 26 9.586 9.092 -4.936 1.00 0.44 O ATOM 421 CG2 THR A 26 11.065 9.301 -6.839 1.00 0.56 C ATOM 0 H THR A 26 11.885 8.249 -4.331 1.00 0.41 H new ATOM 0 HA THR A 26 12.386 10.953 -5.129 1.00 0.46 H new ATOM 0 HB THR A 26 10.026 10.888 -5.864 1.00 0.49 H new ATOM 0 HG1 THR A 26 9.876 8.162 -5.041 1.00 0.44 H new ATOM 0 HG21 THR A 26 10.237 9.064 -7.507 1.00 0.56 H new ATOM 0 HG22 THR A 26 11.754 9.980 -7.341 1.00 0.56 H new ATOM 0 HG23 THR A 26 11.590 8.384 -6.572 1.00 0.56 H new ATOM 429 N ASN A 27 10.617 12.264 -3.636 1.00 0.49 N ATOM 430 CA ASN A 27 10.021 13.081 -2.576 1.00 0.52 C ATOM 431 C ASN A 27 8.717 12.454 -2.076 1.00 0.52 C ATOM 432 O ASN A 27 8.224 12.783 -0.996 1.00 0.67 O ATOM 433 CB ASN A 27 9.769 14.500 -3.101 1.00 0.61 C ATOM 434 CG ASN A 27 9.194 15.438 -2.054 1.00 0.87 C ATOM 435 OD1 ASN A 27 7.979 15.558 -1.911 1.00 1.46 O ATOM 436 ND2 ASN A 27 10.063 16.121 -1.324 1.00 1.53 N ATOM 0 H ASN A 27 10.627 12.711 -4.553 1.00 0.49 H new ATOM 0 HA ASN A 27 10.714 13.129 -1.736 1.00 0.52 H new ATOM 0 HB2 ASN A 27 10.706 14.914 -3.473 1.00 0.61 H new ATOM 0 HB3 ASN A 27 9.085 14.450 -3.948 1.00 0.61 H new ATOM 0 HD21 ASN A 27 9.731 16.774 -0.614 1.00 1.53 H new ATOM 0 HD22 ASN A 27 11.064 15.994 -1.472 1.00 1.53 H new ATOM 443 N LEU A 28 8.188 11.515 -2.853 1.00 0.48 N ATOM 444 CA LEU A 28 6.914 10.875 -2.547 1.00 0.47 C ATOM 445 C LEU A 28 7.046 9.921 -1.355 1.00 0.45 C ATOM 446 O LEU A 28 6.048 9.527 -0.749 1.00 0.52 O ATOM 447 CB LEU A 28 6.412 10.120 -3.786 1.00 0.47 C ATOM 448 CG LEU A 28 5.030 9.469 -3.663 1.00 0.49 C ATOM 449 CD1 LEU A 28 3.950 10.521 -3.450 1.00 0.51 C ATOM 450 CD2 LEU A 28 4.730 8.645 -4.904 1.00 0.51 C ATOM 0 H LEU A 28 8.628 11.177 -3.709 1.00 0.48 H new ATOM 0 HA LEU A 28 6.192 11.645 -2.274 1.00 0.47 H new ATOM 0 HB2 LEU A 28 6.391 10.814 -4.626 1.00 0.47 H new ATOM 0 HB3 LEU A 28 7.137 9.344 -4.032 1.00 0.47 H new ATOM 0 HG LEU A 28 5.036 8.811 -2.794 1.00 0.49 H new ATOM 0 HD11 LEU A 28 2.979 10.033 -3.366 1.00 0.51 H new ATOM 0 HD12 LEU A 28 4.158 11.076 -2.535 1.00 0.51 H new ATOM 0 HD13 LEU A 28 3.939 11.208 -4.296 1.00 0.51 H new ATOM 0 HD21 LEU A 28 3.746 8.186 -4.807 1.00 0.51 H new ATOM 0 HD22 LEU A 28 4.745 9.291 -5.782 1.00 0.51 H new ATOM 0 HD23 LEU A 28 5.484 7.866 -5.014 1.00 0.51 H new ATOM 462 N PHE A 29 8.281 9.563 -1.007 1.00 0.42 N ATOM 463 CA PHE A 29 8.517 8.623 0.081 1.00 0.40 C ATOM 464 C PHE A 29 9.642 9.112 0.974 1.00 0.42 C ATOM 465 O PHE A 29 9.620 8.879 2.183 1.00 0.48 O ATOM 466 CB PHE A 29 8.868 7.234 -0.453 1.00 0.36 C ATOM 467 CG PHE A 29 7.796 6.620 -1.305 1.00 0.36 C ATOM 468 CD1 PHE A 29 6.727 5.958 -0.725 1.00 0.41 C ATOM 469 CD2 PHE A 29 7.860 6.706 -2.681 1.00 0.36 C ATOM 470 CE1 PHE A 29 5.740 5.395 -1.510 1.00 0.44 C ATOM 471 CE2 PHE A 29 6.879 6.146 -3.470 1.00 0.39 C ATOM 472 CZ PHE A 29 5.816 5.488 -2.885 1.00 0.42 C ATOM 0 H PHE A 29 9.127 9.908 -1.461 1.00 0.42 H new ATOM 0 HA PHE A 29 7.595 8.556 0.659 1.00 0.40 H new ATOM 0 HB2 PHE A 29 9.787 7.301 -1.035 1.00 0.36 H new ATOM 0 HB3 PHE A 29 9.072 6.573 0.389 1.00 0.36 H new ATOM 0 HD1 PHE A 29 6.665 5.881 0.350 1.00 0.41 H new ATOM 0 HD2 PHE A 29 8.689 7.219 -3.145 1.00 0.36 H new ATOM 0 HE1 PHE A 29 4.909 4.882 -1.048 1.00 0.44 H new ATOM 0 HE2 PHE A 29 6.942 6.222 -4.546 1.00 0.39 H new ATOM 0 HZ PHE A 29 5.046 5.047 -3.501 1.00 0.42 H new ATOM 482 N HIS A 30 10.621 9.780 0.352 1.00 0.43 N ATOM 483 CA HIS A 30 11.781 10.355 1.043 1.00 0.52 C ATOM 484 C HIS A 30 12.324 9.421 2.127 1.00 0.45 C ATOM 485 O HIS A 30 12.510 9.816 3.275 1.00 0.48 O ATOM 486 CB HIS A 30 11.470 11.758 1.600 1.00 0.70 C ATOM 487 CG HIS A 30 10.273 11.854 2.501 1.00 1.23 C ATOM 488 ND1 HIS A 30 10.331 11.663 3.865 1.00 1.78 N ATOM 489 CD2 HIS A 30 8.979 12.137 2.221 1.00 2.07 C ATOM 490 CE1 HIS A 30 9.127 11.824 4.381 1.00 2.74 C ATOM 491 NE2 HIS A 30 8.288 12.113 3.405 1.00 2.97 N ATOM 0 H HIS A 30 10.630 9.938 -0.656 1.00 0.43 H new ATOM 0 HA HIS A 30 12.571 10.469 0.301 1.00 0.52 H new ATOM 0 HB2 HIS A 30 12.343 12.112 2.148 1.00 0.70 H new ATOM 0 HB3 HIS A 30 11.324 12.437 0.760 1.00 0.70 H new ATOM 0 HD1 HIS A 30 11.173 11.433 4.393 1.00 1.78 H new ATOM 0 HD2 HIS A 30 8.567 12.344 1.244 1.00 2.07 H new ATOM 0 HE1 HIS A 30 8.872 11.734 5.427 1.00 2.74 H new ATOM 500 N CYS A 31 12.574 8.177 1.713 1.00 0.44 N ATOM 501 CA CYS A 31 13.094 7.109 2.572 1.00 0.45 C ATOM 502 C CYS A 31 12.520 7.102 3.987 1.00 0.40 C ATOM 503 O CYS A 31 13.250 7.275 4.964 1.00 0.47 O ATOM 504 CB CYS A 31 14.628 7.109 2.624 1.00 0.62 C ATOM 505 SG CYS A 31 15.434 8.736 2.791 1.00 1.10 S ATOM 0 H CYS A 31 12.418 7.877 0.751 1.00 0.44 H new ATOM 0 HA CYS A 31 12.753 6.190 2.096 1.00 0.45 H new ATOM 0 HB2 CYS A 31 14.941 6.485 3.461 1.00 0.62 H new ATOM 0 HB3 CYS A 31 15.001 6.635 1.716 1.00 0.62 H new ATOM 510 N LYS A 32 11.211 6.897 4.097 1.00 0.39 N ATOM 511 CA LYS A 32 10.601 6.617 5.385 1.00 0.43 C ATOM 512 C LYS A 32 10.974 5.202 5.823 1.00 0.45 C ATOM 513 O LYS A 32 11.459 4.411 5.008 1.00 0.55 O ATOM 514 CB LYS A 32 9.074 6.789 5.318 1.00 0.50 C ATOM 515 CG LYS A 32 8.299 5.655 4.646 1.00 0.53 C ATOM 516 CD LYS A 32 8.410 5.645 3.123 1.00 0.90 C ATOM 517 CE LYS A 32 9.577 4.805 2.634 1.00 2.05 C ATOM 518 NZ LYS A 32 9.588 3.451 3.254 1.00 2.72 N ATOM 0 H LYS A 32 10.559 6.920 3.313 1.00 0.39 H new ATOM 0 HA LYS A 32 10.977 7.328 6.121 1.00 0.43 H new ATOM 0 HB2 LYS A 32 8.697 6.907 6.334 1.00 0.50 H new ATOM 0 HB3 LYS A 32 8.856 7.716 4.787 1.00 0.50 H new ATOM 0 HG2 LYS A 32 8.661 4.702 5.033 1.00 0.53 H new ATOM 0 HG3 LYS A 32 7.248 5.733 4.923 1.00 0.53 H new ATOM 0 HD2 LYS A 32 7.484 5.259 2.696 1.00 0.90 H new ATOM 0 HD3 LYS A 32 8.525 6.667 2.763 1.00 0.90 H new ATOM 0 HE2 LYS A 32 9.524 4.707 1.550 1.00 2.05 H new ATOM 0 HE3 LYS A 32 10.512 5.316 2.862 1.00 2.05 H new ATOM 0 HZ1 LYS A 32 10.300 3.422 4.012 1.00 2.72 H new ATOM 0 HZ2 LYS A 32 8.650 3.244 3.652 1.00 2.72 H new ATOM 0 HZ3 LYS A 32 9.822 2.740 2.532 1.00 2.72 H new ATOM 532 N ASP A 33 10.737 4.889 7.090 1.00 0.49 N ATOM 533 CA ASP A 33 11.116 3.595 7.666 1.00 0.54 C ATOM 534 C ASP A 33 10.627 2.432 6.814 1.00 0.48 C ATOM 535 O ASP A 33 11.418 1.640 6.304 1.00 0.51 O ATOM 536 CB ASP A 33 10.533 3.442 9.074 1.00 0.66 C ATOM 537 CG ASP A 33 11.045 4.480 10.048 1.00 1.28 C ATOM 538 OD1 ASP A 33 10.654 5.659 9.925 1.00 2.06 O ATOM 539 OD2 ASP A 33 11.861 4.122 10.923 1.00 1.57 O ATOM 0 H ASP A 33 10.279 5.518 7.749 1.00 0.49 H new ATOM 0 HA ASP A 33 12.205 3.574 7.704 1.00 0.54 H new ATOM 0 HB2 ASP A 33 9.446 3.509 9.019 1.00 0.66 H new ATOM 0 HB3 ASP A 33 10.772 2.448 9.453 1.00 0.66 H new ATOM 544 N LYS A 34 9.317 2.343 6.656 1.00 0.44 N ATOM 545 CA LYS A 34 8.705 1.203 6.001 1.00 0.41 C ATOM 546 C LYS A 34 7.522 1.647 5.148 1.00 0.38 C ATOM 547 O LYS A 34 6.801 2.574 5.507 1.00 0.43 O ATOM 548 CB LYS A 34 8.289 0.212 7.089 1.00 0.48 C ATOM 549 CG LYS A 34 7.171 -0.740 6.719 1.00 0.95 C ATOM 550 CD LYS A 34 6.140 -0.766 7.830 1.00 1.27 C ATOM 551 CE LYS A 34 5.125 -1.886 7.658 1.00 1.96 C ATOM 552 NZ LYS A 34 5.763 -3.228 7.718 1.00 2.60 N ATOM 0 H LYS A 34 8.656 3.051 6.975 1.00 0.44 H new ATOM 0 HA LYS A 34 9.409 0.720 5.323 1.00 0.41 H new ATOM 0 HB2 LYS A 34 9.162 -0.375 7.373 1.00 0.48 H new ATOM 0 HB3 LYS A 34 7.984 0.776 7.971 1.00 0.48 H new ATOM 0 HG2 LYS A 34 6.706 -0.426 5.784 1.00 0.95 H new ATOM 0 HG3 LYS A 34 7.571 -1.741 6.556 1.00 0.95 H new ATOM 0 HD2 LYS A 34 6.646 -0.883 8.788 1.00 1.27 H new ATOM 0 HD3 LYS A 34 5.619 0.191 7.860 1.00 1.27 H new ATOM 0 HE2 LYS A 34 4.366 -1.810 8.436 1.00 1.96 H new ATOM 0 HE3 LYS A 34 4.614 -1.769 6.702 1.00 1.96 H new ATOM 0 HZ1 LYS A 34 5.030 -3.956 7.835 1.00 2.60 H new ATOM 0 HZ2 LYS A 34 6.287 -3.403 6.837 1.00 2.60 H new ATOM 0 HZ3 LYS A 34 6.419 -3.265 8.524 1.00 2.60 H new ATOM 566 N ASN A 35 7.364 1.009 3.999 1.00 0.37 N ATOM 567 CA ASN A 35 6.269 1.320 3.085 1.00 0.36 C ATOM 568 C ASN A 35 5.717 0.033 2.492 1.00 0.34 C ATOM 569 O ASN A 35 6.402 -0.643 1.722 1.00 0.38 O ATOM 570 CB ASN A 35 6.738 2.228 1.942 1.00 0.36 C ATOM 571 CG ASN A 35 5.584 2.909 1.231 1.00 0.38 C ATOM 572 OD1 ASN A 35 5.199 4.027 1.573 1.00 0.75 O ATOM 573 ND2 ASN A 35 5.025 2.239 0.241 1.00 0.35 N ATOM 0 H ASN A 35 7.983 0.267 3.673 1.00 0.37 H new ATOM 0 HA ASN A 35 5.497 1.840 3.652 1.00 0.36 H new ATOM 0 HB2 ASN A 35 7.414 2.985 2.338 1.00 0.36 H new ATOM 0 HB3 ASN A 35 7.306 1.638 1.223 1.00 0.36 H new ATOM 0 HD21 ASN A 35 4.243 2.646 -0.273 1.00 0.35 H new ATOM 0 HD22 ASN A 35 5.375 1.314 -0.011 1.00 0.35 H new ATOM 580 N THR A 36 4.493 -0.309 2.852 1.00 0.32 N ATOM 581 CA THR A 36 3.874 -1.525 2.357 1.00 0.30 C ATOM 582 C THR A 36 3.150 -1.267 1.039 1.00 0.26 C ATOM 583 O THR A 36 2.160 -0.528 0.990 1.00 0.28 O ATOM 584 CB THR A 36 2.880 -2.097 3.384 1.00 0.36 C ATOM 585 OG1 THR A 36 3.468 -2.064 4.691 1.00 0.45 O ATOM 586 CG2 THR A 36 2.500 -3.529 3.033 1.00 0.37 C ATOM 0 H THR A 36 3.909 0.238 3.485 1.00 0.32 H new ATOM 0 HA THR A 36 4.669 -2.253 2.192 1.00 0.30 H new ATOM 0 HB THR A 36 1.978 -1.486 3.368 1.00 0.36 H new ATOM 0 HG1 THR A 36 4.376 -2.429 4.650 1.00 0.45 H new ATOM 0 HG21 THR A 36 1.797 -3.911 3.773 1.00 0.37 H new ATOM 0 HG22 THR A 36 2.036 -3.551 2.047 1.00 0.37 H new ATOM 0 HG23 THR A 36 3.395 -4.152 3.027 1.00 0.37 H new ATOM 594 N PHE A 37 3.666 -1.852 -0.032 1.00 0.21 N ATOM 595 CA PHE A 37 3.033 -1.754 -1.334 1.00 0.18 C ATOM 596 C PHE A 37 2.110 -2.939 -1.559 1.00 0.18 C ATOM 597 O PHE A 37 2.277 -4.001 -0.954 1.00 0.21 O ATOM 598 CB PHE A 37 4.070 -1.710 -2.459 1.00 0.17 C ATOM 599 CG PHE A 37 4.975 -0.513 -2.439 1.00 0.17 C ATOM 600 CD1 PHE A 37 6.171 -0.537 -1.736 1.00 0.19 C ATOM 601 CD2 PHE A 37 4.615 0.649 -3.102 1.00 0.19 C ATOM 602 CE1 PHE A 37 6.986 0.575 -1.698 1.00 0.21 C ATOM 603 CE2 PHE A 37 5.429 1.760 -3.069 1.00 0.20 C ATOM 604 CZ PHE A 37 6.677 1.678 -2.441 1.00 0.20 C ATOM 0 H PHE A 37 4.525 -2.401 -0.022 1.00 0.21 H new ATOM 0 HA PHE A 37 2.460 -0.827 -1.350 1.00 0.18 H new ATOM 0 HB2 PHE A 37 4.682 -2.611 -2.405 1.00 0.17 H new ATOM 0 HB3 PHE A 37 3.548 -1.736 -3.416 1.00 0.17 H new ATOM 0 HD1 PHE A 37 6.467 -1.435 -1.214 1.00 0.19 H new ATOM 0 HD2 PHE A 37 3.686 0.684 -3.651 1.00 0.19 H new ATOM 0 HE1 PHE A 37 7.871 0.573 -1.079 1.00 0.21 H new ATOM 0 HE2 PHE A 37 5.107 2.685 -3.523 1.00 0.20 H new ATOM 0 HZ PHE A 37 7.391 2.482 -2.543 1.00 0.20 H new ATOM 614 N ILE A 38 1.145 -2.743 -2.428 1.00 0.18 N ATOM 615 CA ILE A 38 0.186 -3.769 -2.770 1.00 0.17 C ATOM 616 C ILE A 38 0.304 -4.099 -4.250 1.00 0.17 C ATOM 617 O ILE A 38 0.096 -3.233 -5.102 1.00 0.18 O ATOM 618 CB ILE A 38 -1.252 -3.293 -2.463 1.00 0.18 C ATOM 619 CG1 ILE A 38 -1.347 -2.806 -1.014 1.00 0.20 C ATOM 620 CG2 ILE A 38 -2.256 -4.409 -2.724 1.00 0.17 C ATOM 621 CD1 ILE A 38 -2.618 -2.045 -0.708 1.00 0.22 C ATOM 0 H ILE A 38 1.002 -1.861 -2.921 1.00 0.18 H new ATOM 0 HA ILE A 38 0.396 -4.657 -2.174 1.00 0.17 H new ATOM 0 HB ILE A 38 -1.493 -2.462 -3.126 1.00 0.18 H new ATOM 0 HG12 ILE A 38 -1.279 -3.665 -0.347 1.00 0.20 H new ATOM 0 HG13 ILE A 38 -0.491 -2.167 -0.798 1.00 0.20 H new ATOM 0 HG21 ILE A 38 -3.262 -4.053 -2.502 1.00 0.17 H new ATOM 0 HG22 ILE A 38 -2.201 -4.711 -3.770 1.00 0.17 H new ATOM 0 HG23 ILE A 38 -2.024 -5.263 -2.087 1.00 0.17 H new ATOM 0 HD11 ILE A 38 -2.613 -1.733 0.336 1.00 0.22 H new ATOM 0 HD12 ILE A 38 -2.679 -1.166 -1.349 1.00 0.22 H new ATOM 0 HD13 ILE A 38 -3.480 -2.687 -0.890 1.00 0.22 H new ATOM 633 N TYR A 39 0.677 -5.333 -4.552 1.00 0.16 N ATOM 634 CA TYR A 39 0.726 -5.791 -5.927 1.00 0.17 C ATOM 635 C TYR A 39 -0.677 -6.135 -6.391 1.00 0.18 C ATOM 636 O TYR A 39 -1.150 -7.261 -6.226 1.00 0.18 O ATOM 637 CB TYR A 39 1.664 -6.992 -6.089 1.00 0.20 C ATOM 638 CG TYR A 39 1.585 -7.651 -7.451 1.00 0.23 C ATOM 639 CD1 TYR A 39 2.029 -6.985 -8.587 1.00 0.26 C ATOM 640 CD2 TYR A 39 1.085 -8.937 -7.603 1.00 0.29 C ATOM 641 CE1 TYR A 39 1.977 -7.579 -9.832 1.00 0.31 C ATOM 642 CE2 TYR A 39 1.028 -9.538 -8.846 1.00 0.34 C ATOM 643 CZ TYR A 39 1.403 -8.866 -9.947 1.00 0.35 C ATOM 644 OH TYR A 39 1.431 -9.450 -11.197 1.00 0.40 O ATOM 0 H TYR A 39 0.950 -6.033 -3.862 1.00 0.16 H new ATOM 0 HA TYR A 39 1.126 -4.989 -6.547 1.00 0.17 H new ATOM 0 HB2 TYR A 39 2.689 -6.667 -5.912 1.00 0.20 H new ATOM 0 HB3 TYR A 39 1.428 -7.731 -5.324 1.00 0.20 H new ATOM 0 HD1 TYR A 39 2.422 -5.983 -8.494 1.00 0.26 H new ATOM 0 HD2 TYR A 39 0.735 -9.477 -6.736 1.00 0.29 H new ATOM 0 HE1 TYR A 39 2.367 -7.071 -10.701 1.00 0.31 H new ATOM 0 HE2 TYR A 39 0.679 -10.556 -8.933 1.00 0.34 H new ATOM 0 HH TYR A 39 1.009 -10.334 -11.155 1.00 0.40 H new ATOM 654 N SER A 40 -1.340 -5.128 -6.919 1.00 0.23 N ATOM 655 CA SER A 40 -2.688 -5.252 -7.424 1.00 0.26 C ATOM 656 C SER A 40 -3.077 -3.915 -8.028 1.00 0.29 C ATOM 657 O SER A 40 -2.487 -2.887 -7.688 1.00 0.50 O ATOM 658 CB SER A 40 -3.661 -5.633 -6.299 1.00 0.25 C ATOM 659 OG SER A 40 -4.881 -6.137 -6.822 1.00 0.93 O ATOM 0 H SER A 40 -0.952 -4.189 -7.010 1.00 0.23 H new ATOM 0 HA SER A 40 -2.735 -6.041 -8.175 1.00 0.26 H new ATOM 0 HB2 SER A 40 -3.201 -6.383 -5.656 1.00 0.25 H new ATOM 0 HB3 SER A 40 -3.862 -4.760 -5.678 1.00 0.25 H new ATOM 0 HG SER A 40 -5.481 -6.373 -6.084 1.00 0.93 H new ATOM 665 N ARG A 41 -4.036 -3.918 -8.932 1.00 0.25 N ATOM 666 CA ARG A 41 -4.479 -2.683 -9.545 1.00 0.27 C ATOM 667 C ARG A 41 -5.322 -1.874 -8.572 1.00 0.22 C ATOM 668 O ARG A 41 -5.899 -2.414 -7.629 1.00 0.23 O ATOM 669 CB ARG A 41 -5.249 -2.955 -10.841 1.00 0.33 C ATOM 670 CG ARG A 41 -4.337 -3.308 -11.998 1.00 0.54 C ATOM 671 CD ARG A 41 -3.457 -2.122 -12.349 1.00 1.08 C ATOM 672 NE ARG A 41 -2.316 -2.488 -13.177 1.00 1.30 N ATOM 673 CZ ARG A 41 -1.398 -1.620 -13.586 1.00 2.21 C ATOM 674 NH1 ARG A 41 -1.534 -0.329 -13.300 1.00 2.92 N ATOM 675 NH2 ARG A 41 -0.353 -2.039 -14.287 1.00 2.66 N ATOM 0 H ARG A 41 -4.520 -4.755 -9.256 1.00 0.25 H new ATOM 0 HA ARG A 41 -3.596 -2.097 -9.800 1.00 0.27 H new ATOM 0 HB2 ARG A 41 -5.953 -3.771 -10.676 1.00 0.33 H new ATOM 0 HB3 ARG A 41 -5.836 -2.075 -11.102 1.00 0.33 H new ATOM 0 HG2 ARG A 41 -3.717 -4.165 -11.734 1.00 0.54 H new ATOM 0 HG3 ARG A 41 -4.931 -3.599 -12.864 1.00 0.54 H new ATOM 0 HD2 ARG A 41 -4.054 -1.375 -12.872 1.00 1.08 H new ATOM 0 HD3 ARG A 41 -3.099 -1.657 -11.430 1.00 1.08 H new ATOM 0 HE ARG A 41 -2.217 -3.464 -13.458 1.00 1.30 H new ATOM 0 HH11 ARG A 41 -2.342 -0.007 -12.767 1.00 2.92 H new ATOM 0 HH12 ARG A 41 -0.830 0.340 -13.613 1.00 2.92 H new ATOM 0 HH21 ARG A 41 -0.254 -3.029 -14.512 1.00 2.66 H new ATOM 0 HH22 ARG A 41 0.352 -1.371 -14.601 1.00 2.66 H new ATOM 689 N PRO A 42 -5.385 -0.563 -8.787 1.00 0.22 N ATOM 690 CA PRO A 42 -6.158 0.346 -7.943 1.00 0.21 C ATOM 691 C PRO A 42 -7.638 -0.020 -7.907 1.00 0.20 C ATOM 692 O PRO A 42 -8.300 0.154 -6.892 1.00 0.23 O ATOM 693 CB PRO A 42 -5.958 1.716 -8.605 1.00 0.24 C ATOM 694 CG PRO A 42 -5.436 1.431 -9.970 1.00 0.25 C ATOM 695 CD PRO A 42 -4.695 0.136 -9.874 1.00 0.30 C ATOM 0 HA PRO A 42 -5.830 0.314 -6.904 1.00 0.21 H new ATOM 0 HB2 PRO A 42 -6.896 2.269 -8.652 1.00 0.24 H new ATOM 0 HB3 PRO A 42 -5.256 2.327 -8.037 1.00 0.24 H new ATOM 0 HG2 PRO A 42 -6.251 1.360 -10.691 1.00 0.25 H new ATOM 0 HG3 PRO A 42 -4.778 2.231 -10.310 1.00 0.25 H new ATOM 0 HD2 PRO A 42 -4.742 -0.425 -10.807 1.00 0.30 H new ATOM 0 HD3 PRO A 42 -3.640 0.291 -9.648 1.00 0.30 H new ATOM 703 N GLU A 43 -8.145 -0.573 -9.000 1.00 0.21 N ATOM 704 CA GLU A 43 -9.564 -0.877 -9.104 1.00 0.25 C ATOM 705 C GLU A 43 -9.984 -2.016 -8.165 1.00 0.23 C ATOM 706 O GLU A 43 -10.906 -1.839 -7.368 1.00 0.24 O ATOM 707 CB GLU A 43 -9.938 -1.178 -10.552 1.00 0.36 C ATOM 708 CG GLU A 43 -10.114 0.078 -11.390 1.00 0.48 C ATOM 709 CD GLU A 43 -11.244 0.954 -10.884 1.00 1.60 C ATOM 710 OE1 GLU A 43 -11.034 1.717 -9.917 1.00 2.36 O ATOM 711 OE2 GLU A 43 -12.359 0.871 -11.439 1.00 1.99 O ATOM 0 H GLU A 43 -7.597 -0.819 -9.824 1.00 0.21 H new ATOM 0 HA GLU A 43 -10.116 0.006 -8.783 1.00 0.25 H new ATOM 0 HB2 GLU A 43 -9.165 -1.802 -11.000 1.00 0.36 H new ATOM 0 HB3 GLU A 43 -10.863 -1.754 -10.571 1.00 0.36 H new ATOM 0 HG2 GLU A 43 -9.185 0.648 -11.385 1.00 0.48 H new ATOM 0 HG3 GLU A 43 -10.310 -0.203 -12.425 1.00 0.48 H new ATOM 718 N PRO A 44 -9.326 -3.193 -8.224 1.00 0.24 N ATOM 719 CA PRO A 44 -9.628 -4.307 -7.317 1.00 0.26 C ATOM 720 C PRO A 44 -9.354 -3.971 -5.849 1.00 0.24 C ATOM 721 O PRO A 44 -9.874 -4.628 -4.945 1.00 0.27 O ATOM 722 CB PRO A 44 -8.704 -5.434 -7.789 1.00 0.30 C ATOM 723 CG PRO A 44 -7.643 -4.767 -8.585 1.00 0.36 C ATOM 724 CD PRO A 44 -8.278 -3.551 -9.190 1.00 0.27 C ATOM 0 HA PRO A 44 -10.686 -4.567 -7.352 1.00 0.26 H new ATOM 0 HB2 PRO A 44 -8.279 -5.974 -6.943 1.00 0.30 H new ATOM 0 HB3 PRO A 44 -9.248 -6.162 -8.391 1.00 0.30 H new ATOM 0 HG2 PRO A 44 -6.798 -4.492 -7.954 1.00 0.36 H new ATOM 0 HG3 PRO A 44 -7.260 -5.432 -9.359 1.00 0.36 H new ATOM 0 HD2 PRO A 44 -7.557 -2.743 -9.317 1.00 0.27 H new ATOM 0 HD3 PRO A 44 -8.695 -3.764 -10.174 1.00 0.27 H new ATOM 732 N VAL A 45 -8.545 -2.943 -5.610 1.00 0.20 N ATOM 733 CA VAL A 45 -8.267 -2.499 -4.246 1.00 0.19 C ATOM 734 C VAL A 45 -9.304 -1.468 -3.804 1.00 0.17 C ATOM 735 O VAL A 45 -9.735 -1.451 -2.651 1.00 0.18 O ATOM 736 CB VAL A 45 -6.842 -1.907 -4.114 1.00 0.19 C ATOM 737 CG1 VAL A 45 -6.594 -1.389 -2.704 1.00 0.20 C ATOM 738 CG2 VAL A 45 -5.800 -2.952 -4.485 1.00 0.23 C ATOM 0 H VAL A 45 -8.073 -2.405 -6.336 1.00 0.20 H new ATOM 0 HA VAL A 45 -8.326 -3.373 -3.597 1.00 0.19 H new ATOM 0 HB VAL A 45 -6.758 -1.066 -4.803 1.00 0.19 H new ATOM 0 HG11 VAL A 45 -5.586 -0.979 -2.639 1.00 0.20 H new ATOM 0 HG12 VAL A 45 -7.319 -0.609 -2.470 1.00 0.20 H new ATOM 0 HG13 VAL A 45 -6.699 -2.208 -1.992 1.00 0.20 H new ATOM 0 HG21 VAL A 45 -4.803 -2.522 -4.388 1.00 0.23 H new ATOM 0 HG22 VAL A 45 -5.892 -3.810 -3.819 1.00 0.23 H new ATOM 0 HG23 VAL A 45 -5.958 -3.273 -5.515 1.00 0.23 H new ATOM 748 N LYS A 46 -9.726 -0.628 -4.736 1.00 0.15 N ATOM 749 CA LYS A 46 -10.778 0.345 -4.477 1.00 0.15 C ATOM 750 C LYS A 46 -12.113 -0.371 -4.292 1.00 0.17 C ATOM 751 O LYS A 46 -12.992 0.098 -3.571 1.00 0.20 O ATOM 752 CB LYS A 46 -10.860 1.336 -5.639 1.00 0.17 C ATOM 753 CG LYS A 46 -11.732 2.553 -5.372 1.00 0.20 C ATOM 754 CD LYS A 46 -11.719 3.493 -6.566 1.00 0.27 C ATOM 755 CE LYS A 46 -12.537 4.748 -6.316 1.00 0.37 C ATOM 756 NZ LYS A 46 -12.612 5.610 -7.527 1.00 1.36 N ATOM 0 H LYS A 46 -9.354 -0.600 -5.685 1.00 0.15 H new ATOM 0 HA LYS A 46 -10.548 0.893 -3.563 1.00 0.15 H new ATOM 0 HB2 LYS A 46 -9.853 1.673 -5.883 1.00 0.17 H new ATOM 0 HB3 LYS A 46 -11.244 0.816 -6.517 1.00 0.17 H new ATOM 0 HG2 LYS A 46 -12.754 2.236 -5.163 1.00 0.20 H new ATOM 0 HG3 LYS A 46 -11.373 3.077 -4.486 1.00 0.20 H new ATOM 0 HD2 LYS A 46 -10.691 3.771 -6.796 1.00 0.27 H new ATOM 0 HD3 LYS A 46 -12.112 2.973 -7.440 1.00 0.27 H new ATOM 0 HE2 LYS A 46 -13.544 4.469 -6.005 1.00 0.37 H new ATOM 0 HE3 LYS A 46 -12.095 5.312 -5.495 1.00 0.37 H new ATOM 0 HZ1 LYS A 46 -13.178 6.456 -7.316 1.00 1.36 H new ATOM 0 HZ2 LYS A 46 -11.653 5.897 -7.809 1.00 1.36 H new ATOM 0 HZ3 LYS A 46 -13.057 5.080 -8.303 1.00 1.36 H new ATOM 770 N ALA A 47 -12.236 -1.532 -4.934 1.00 0.18 N ATOM 771 CA ALA A 47 -13.442 -2.349 -4.847 1.00 0.22 C ATOM 772 C ALA A 47 -13.684 -2.826 -3.419 1.00 0.22 C ATOM 773 O ALA A 47 -14.821 -3.095 -3.030 1.00 0.27 O ATOM 774 CB ALA A 47 -13.351 -3.539 -5.793 1.00 0.26 C ATOM 0 H ALA A 47 -11.506 -1.930 -5.525 1.00 0.18 H new ATOM 0 HA ALA A 47 -14.287 -1.728 -5.144 1.00 0.22 H new ATOM 0 HB1 ALA A 47 -14.259 -4.137 -5.714 1.00 0.26 H new ATOM 0 HB2 ALA A 47 -13.239 -3.182 -6.817 1.00 0.26 H new ATOM 0 HB3 ALA A 47 -12.490 -4.151 -5.526 1.00 0.26 H new ATOM 780 N ILE A 48 -12.610 -2.914 -2.643 1.00 0.20 N ATOM 781 CA ILE A 48 -12.701 -3.301 -1.241 1.00 0.21 C ATOM 782 C ILE A 48 -13.526 -2.275 -0.473 1.00 0.21 C ATOM 783 O ILE A 48 -14.315 -2.618 0.407 1.00 0.23 O ATOM 784 CB ILE A 48 -11.299 -3.422 -0.602 1.00 0.20 C ATOM 785 CG1 ILE A 48 -10.420 -4.344 -1.451 1.00 0.21 C ATOM 786 CG2 ILE A 48 -11.411 -3.955 0.820 1.00 0.22 C ATOM 787 CD1 ILE A 48 -8.968 -4.354 -1.034 1.00 0.21 C ATOM 0 H ILE A 48 -11.661 -2.721 -2.964 1.00 0.20 H new ATOM 0 HA ILE A 48 -13.186 -4.276 -1.190 1.00 0.21 H new ATOM 0 HB ILE A 48 -10.840 -2.434 -0.563 1.00 0.20 H new ATOM 0 HG12 ILE A 48 -10.812 -5.359 -1.393 1.00 0.21 H new ATOM 0 HG13 ILE A 48 -10.487 -4.035 -2.494 1.00 0.21 H new ATOM 0 HG21 ILE A 48 -10.416 -4.035 1.258 1.00 0.22 H new ATOM 0 HG22 ILE A 48 -12.017 -3.273 1.417 1.00 0.22 H new ATOM 0 HG23 ILE A 48 -11.881 -4.938 0.804 1.00 0.22 H new ATOM 0 HD11 ILE A 48 -8.408 -5.030 -1.681 1.00 0.21 H new ATOM 0 HD12 ILE A 48 -8.558 -3.348 -1.119 1.00 0.21 H new ATOM 0 HD13 ILE A 48 -8.888 -4.692 -0.001 1.00 0.21 H new ATOM 799 N CYS A 49 -13.369 -1.014 -0.846 1.00 0.20 N ATOM 800 CA CYS A 49 -14.067 0.068 -0.182 1.00 0.21 C ATOM 801 C CYS A 49 -15.298 0.490 -0.967 1.00 0.25 C ATOM 802 O CYS A 49 -16.025 1.393 -0.558 1.00 0.25 O ATOM 803 CB CYS A 49 -13.123 1.250 -0.012 1.00 0.19 C ATOM 804 SG CYS A 49 -11.689 0.876 1.039 1.00 0.18 S ATOM 0 H CYS A 49 -12.761 -0.717 -1.609 1.00 0.20 H new ATOM 0 HA CYS A 49 -14.398 -0.280 0.796 1.00 0.21 H new ATOM 0 HB2 CYS A 49 -12.772 1.571 -0.993 1.00 0.19 H new ATOM 0 HB3 CYS A 49 -13.673 2.087 0.419 1.00 0.19 H new ATOM 809 N LYS A 50 -15.528 -0.167 -2.093 1.00 0.32 N ATOM 810 CA LYS A 50 -16.669 0.144 -2.941 1.00 0.40 C ATOM 811 C LYS A 50 -17.963 -0.093 -2.176 1.00 0.39 C ATOM 812 O LYS A 50 -18.225 -1.202 -1.709 1.00 0.47 O ATOM 813 CB LYS A 50 -16.627 -0.697 -4.222 1.00 0.54 C ATOM 814 CG LYS A 50 -17.635 -0.269 -5.278 1.00 0.68 C ATOM 815 CD LYS A 50 -17.539 -1.138 -6.526 1.00 0.92 C ATOM 816 CE LYS A 50 -16.217 -0.949 -7.259 1.00 1.58 C ATOM 817 NZ LYS A 50 -16.118 0.387 -7.904 1.00 2.33 N ATOM 0 H LYS A 50 -14.937 -0.922 -2.442 1.00 0.32 H new ATOM 0 HA LYS A 50 -16.625 1.195 -3.227 1.00 0.40 H new ATOM 0 HB2 LYS A 50 -15.625 -0.642 -4.648 1.00 0.54 H new ATOM 0 HB3 LYS A 50 -16.807 -1.741 -3.965 1.00 0.54 H new ATOM 0 HG2 LYS A 50 -18.643 -0.331 -4.867 1.00 0.68 H new ATOM 0 HG3 LYS A 50 -17.463 0.774 -5.545 1.00 0.68 H new ATOM 0 HD2 LYS A 50 -17.651 -2.186 -6.247 1.00 0.92 H new ATOM 0 HD3 LYS A 50 -18.363 -0.898 -7.198 1.00 0.92 H new ATOM 0 HE2 LYS A 50 -15.393 -1.073 -6.556 1.00 1.58 H new ATOM 0 HE3 LYS A 50 -16.110 -1.725 -8.017 1.00 1.58 H new ATOM 0 HZ1 LYS A 50 -15.258 0.428 -8.488 1.00 2.33 H new ATOM 0 HZ2 LYS A 50 -16.952 0.545 -8.505 1.00 2.33 H new ATOM 0 HZ3 LYS A 50 -16.074 1.124 -7.171 1.00 2.33 H new ATOM 831 N GLY A 51 -18.741 0.964 -2.020 1.00 0.36 N ATOM 832 CA GLY A 51 -19.980 0.873 -1.279 1.00 0.38 C ATOM 833 C GLY A 51 -19.843 1.391 0.141 1.00 0.37 C ATOM 834 O GLY A 51 -20.810 1.401 0.902 1.00 0.44 O ATOM 0 H GLY A 51 -18.535 1.890 -2.396 1.00 0.36 H new ATOM 0 HA2 GLY A 51 -20.753 1.441 -1.797 1.00 0.38 H new ATOM 0 HA3 GLY A 51 -20.310 -0.166 -1.254 1.00 0.38 H new ATOM 838 N ILE A 52 -18.645 1.831 0.506 1.00 0.31 N ATOM 839 CA ILE A 52 -18.403 2.305 1.867 1.00 0.29 C ATOM 840 C ILE A 52 -18.182 3.814 1.873 1.00 0.29 C ATOM 841 O ILE A 52 -17.062 4.282 1.682 1.00 0.27 O ATOM 842 CB ILE A 52 -17.167 1.626 2.496 1.00 0.26 C ATOM 843 CG1 ILE A 52 -17.147 0.124 2.191 1.00 0.28 C ATOM 844 CG2 ILE A 52 -17.139 1.865 4.001 1.00 0.28 C ATOM 845 CD1 ILE A 52 -18.326 -0.645 2.745 1.00 0.33 C ATOM 0 H ILE A 52 -17.834 1.870 -0.111 1.00 0.31 H new ATOM 0 HA ILE A 52 -19.285 2.050 2.455 1.00 0.29 H new ATOM 0 HB ILE A 52 -16.275 2.071 2.054 1.00 0.26 H new ATOM 0 HG12 ILE A 52 -17.115 -0.014 1.110 1.00 0.28 H new ATOM 0 HG13 ILE A 52 -16.229 -0.303 2.594 1.00 0.28 H new ATOM 0 HG21 ILE A 52 -16.262 1.380 4.430 1.00 0.28 H new ATOM 0 HG22 ILE A 52 -17.095 2.936 4.199 1.00 0.28 H new ATOM 0 HG23 ILE A 52 -18.040 1.450 4.452 1.00 0.28 H new ATOM 0 HD11 ILE A 52 -18.229 -1.698 2.482 1.00 0.33 H new ATOM 0 HD12 ILE A 52 -18.350 -0.543 3.830 1.00 0.33 H new ATOM 0 HD13 ILE A 52 -19.250 -0.249 2.323 1.00 0.33 H new ATOM 857 N ILE A 53 -19.243 4.568 2.089 1.00 0.33 N ATOM 858 CA ILE A 53 -19.169 6.020 2.069 1.00 0.35 C ATOM 859 C ILE A 53 -18.647 6.548 3.398 1.00 0.34 C ATOM 860 O ILE A 53 -17.711 7.349 3.432 1.00 0.35 O ATOM 861 CB ILE A 53 -20.548 6.651 1.761 1.00 0.40 C ATOM 862 CG1 ILE A 53 -20.940 6.446 0.293 1.00 0.49 C ATOM 863 CG2 ILE A 53 -20.550 8.138 2.087 1.00 0.42 C ATOM 864 CD1 ILE A 53 -21.082 5.002 -0.136 1.00 0.55 C ATOM 0 H ILE A 53 -20.174 4.197 2.282 1.00 0.33 H new ATOM 0 HA ILE A 53 -18.477 6.302 1.275 1.00 0.35 H new ATOM 0 HB ILE A 53 -21.282 6.147 2.391 1.00 0.40 H new ATOM 0 HG12 ILE A 53 -21.885 6.958 0.110 1.00 0.49 H new ATOM 0 HG13 ILE A 53 -20.191 6.925 -0.338 1.00 0.49 H new ATOM 0 HG21 ILE A 53 -21.530 8.559 1.862 1.00 0.42 H new ATOM 0 HG22 ILE A 53 -20.329 8.279 3.145 1.00 0.42 H new ATOM 0 HG23 ILE A 53 -19.792 8.643 1.488 1.00 0.42 H new ATOM 0 HD11 ILE A 53 -21.361 4.961 -1.189 1.00 0.55 H new ATOM 0 HD12 ILE A 53 -20.134 4.485 0.008 1.00 0.55 H new ATOM 0 HD13 ILE A 53 -21.854 4.519 0.463 1.00 0.55 H new ATOM 876 N ALA A 54 -19.245 6.089 4.486 1.00 0.37 N ATOM 877 CA ALA A 54 -18.844 6.525 5.812 1.00 0.38 C ATOM 878 C ALA A 54 -17.542 5.855 6.218 1.00 0.33 C ATOM 879 O ALA A 54 -17.397 4.636 6.094 1.00 0.32 O ATOM 880 CB ALA A 54 -19.935 6.234 6.828 1.00 0.46 C ATOM 0 H ALA A 54 -20.010 5.414 4.476 1.00 0.37 H new ATOM 0 HA ALA A 54 -18.685 7.603 5.785 1.00 0.38 H new ATOM 0 HB1 ALA A 54 -19.613 6.569 7.814 1.00 0.46 H new ATOM 0 HB2 ALA A 54 -20.846 6.762 6.545 1.00 0.46 H new ATOM 0 HB3 ALA A 54 -20.131 5.162 6.855 1.00 0.46 H new ATOM 886 N SER A 55 -16.613 6.669 6.699 1.00 0.34 N ATOM 887 CA SER A 55 -15.280 6.236 7.054 1.00 0.34 C ATOM 888 C SER A 55 -15.296 5.017 7.976 1.00 0.32 C ATOM 889 O SER A 55 -15.734 5.094 9.126 1.00 0.36 O ATOM 890 CB SER A 55 -14.576 7.406 7.723 1.00 0.41 C ATOM 891 OG SER A 55 -15.327 8.601 7.550 1.00 1.42 O ATOM 0 H SER A 55 -16.773 7.664 6.854 1.00 0.34 H new ATOM 0 HA SER A 55 -14.749 5.929 6.153 1.00 0.34 H new ATOM 0 HB2 SER A 55 -14.446 7.201 8.786 1.00 0.41 H new ATOM 0 HB3 SER A 55 -13.580 7.530 7.298 1.00 0.41 H new ATOM 0 HG SER A 55 -14.836 9.214 6.963 1.00 1.42 H new ATOM 897 N LYS A 56 -14.834 3.891 7.453 1.00 0.30 N ATOM 898 CA LYS A 56 -14.766 2.654 8.217 1.00 0.31 C ATOM 899 C LYS A 56 -13.482 1.898 7.899 1.00 0.29 C ATOM 900 O LYS A 56 -13.067 1.827 6.744 1.00 0.27 O ATOM 901 CB LYS A 56 -15.978 1.766 7.905 1.00 0.34 C ATOM 902 CG LYS A 56 -15.864 0.354 8.461 1.00 0.40 C ATOM 903 CD LYS A 56 -17.035 -0.519 8.038 1.00 0.51 C ATOM 904 CE LYS A 56 -16.761 -1.991 8.312 1.00 0.94 C ATOM 905 NZ LYS A 56 -16.528 -2.268 9.755 1.00 1.71 N ATOM 0 H LYS A 56 -14.498 3.809 6.494 1.00 0.30 H new ATOM 0 HA LYS A 56 -14.773 2.909 9.277 1.00 0.31 H new ATOM 0 HB2 LYS A 56 -16.874 2.235 8.311 1.00 0.34 H new ATOM 0 HB3 LYS A 56 -16.108 1.712 6.824 1.00 0.34 H new ATOM 0 HG2 LYS A 56 -14.933 -0.097 8.118 1.00 0.40 H new ATOM 0 HG3 LYS A 56 -15.817 0.395 9.549 1.00 0.40 H new ATOM 0 HD2 LYS A 56 -17.933 -0.209 8.573 1.00 0.51 H new ATOM 0 HD3 LYS A 56 -17.232 -0.376 6.975 1.00 0.51 H new ATOM 0 HE2 LYS A 56 -17.605 -2.586 7.963 1.00 0.94 H new ATOM 0 HE3 LYS A 56 -15.889 -2.308 7.739 1.00 0.94 H new ATOM 0 HZ1 LYS A 56 -16.430 -3.293 9.900 1.00 1.71 H new ATOM 0 HZ2 LYS A 56 -15.658 -1.790 10.064 1.00 1.71 H new ATOM 0 HZ3 LYS A 56 -17.333 -1.915 10.311 1.00 1.71 H new ATOM 919 N ASN A 57 -12.854 1.348 8.927 1.00 0.36 N ATOM 920 CA ASN A 57 -11.699 0.481 8.735 1.00 0.37 C ATOM 921 C ASN A 57 -12.184 -0.918 8.391 1.00 0.33 C ATOM 922 O ASN A 57 -12.760 -1.604 9.238 1.00 0.41 O ATOM 923 CB ASN A 57 -10.826 0.419 9.997 1.00 0.50 C ATOM 924 CG ASN A 57 -10.252 1.763 10.403 1.00 0.80 C ATOM 925 OD1 ASN A 57 -10.044 2.647 9.571 1.00 1.49 O ATOM 926 ND2 ASN A 57 -9.966 1.918 11.687 1.00 1.13 N ATOM 0 H ASN A 57 -13.123 1.485 9.901 1.00 0.36 H new ATOM 0 HA ASN A 57 -11.094 0.888 7.925 1.00 0.37 H new ATOM 0 HB2 ASN A 57 -11.420 0.023 10.821 1.00 0.50 H new ATOM 0 HB3 ASN A 57 -10.007 -0.281 9.829 1.00 0.50 H new ATOM 0 HD21 ASN A 57 -9.559 2.793 12.017 1.00 1.13 H new ATOM 0 HD22 ASN A 57 -10.153 1.162 12.346 1.00 1.13 H new ATOM 933 N VAL A 58 -11.986 -1.333 7.152 1.00 0.28 N ATOM 934 CA VAL A 58 -12.456 -2.637 6.726 1.00 0.27 C ATOM 935 C VAL A 58 -11.285 -3.589 6.517 1.00 0.25 C ATOM 936 O VAL A 58 -10.248 -3.216 5.963 1.00 0.25 O ATOM 937 CB VAL A 58 -13.311 -2.560 5.435 1.00 0.28 C ATOM 938 CG1 VAL A 58 -14.351 -1.456 5.535 1.00 0.61 C ATOM 939 CG2 VAL A 58 -12.447 -2.376 4.199 1.00 0.57 C ATOM 0 H VAL A 58 -11.508 -0.792 6.431 1.00 0.28 H new ATOM 0 HA VAL A 58 -13.094 -3.019 7.523 1.00 0.27 H new ATOM 0 HB VAL A 58 -13.831 -3.512 5.334 1.00 0.28 H new ATOM 0 HG11 VAL A 58 -14.937 -1.424 4.616 1.00 0.61 H new ATOM 0 HG12 VAL A 58 -15.011 -1.653 6.380 1.00 0.61 H new ATOM 0 HG13 VAL A 58 -13.852 -0.498 5.681 1.00 0.61 H new ATOM 0 HG21 VAL A 58 -13.083 -2.327 3.315 1.00 0.57 H new ATOM 0 HG22 VAL A 58 -11.877 -1.451 4.288 1.00 0.57 H new ATOM 0 HG23 VAL A 58 -11.761 -3.218 4.106 1.00 0.57 H new ATOM 949 N LEU A 59 -11.443 -4.806 6.998 1.00 0.28 N ATOM 950 CA LEU A 59 -10.438 -5.831 6.816 1.00 0.26 C ATOM 951 C LEU A 59 -10.805 -6.675 5.602 1.00 0.26 C ATOM 952 O LEU A 59 -11.968 -7.026 5.407 1.00 0.30 O ATOM 953 CB LEU A 59 -10.338 -6.681 8.088 1.00 0.30 C ATOM 954 CG LEU A 59 -9.121 -7.604 8.207 1.00 0.34 C ATOM 955 CD1 LEU A 59 -9.385 -8.952 7.564 1.00 0.53 C ATOM 956 CD2 LEU A 59 -7.899 -6.952 7.589 1.00 0.67 C ATOM 0 H LEU A 59 -12.264 -5.109 7.521 1.00 0.28 H new ATOM 0 HA LEU A 59 -9.461 -5.382 6.638 1.00 0.26 H new ATOM 0 HB2 LEU A 59 -10.341 -6.009 8.947 1.00 0.30 H new ATOM 0 HB3 LEU A 59 -11.237 -7.293 8.159 1.00 0.30 H new ATOM 0 HG LEU A 59 -8.931 -7.771 9.267 1.00 0.34 H new ATOM 0 HD11 LEU A 59 -8.502 -9.583 7.666 1.00 0.53 H new ATOM 0 HD12 LEU A 59 -10.232 -9.430 8.056 1.00 0.53 H new ATOM 0 HD13 LEU A 59 -9.611 -8.813 6.507 1.00 0.53 H new ATOM 0 HD21 LEU A 59 -7.043 -7.621 7.682 1.00 0.67 H new ATOM 0 HD22 LEU A 59 -8.088 -6.750 6.535 1.00 0.67 H new ATOM 0 HD23 LEU A 59 -7.686 -6.016 8.105 1.00 0.67 H new ATOM 968 N THR A 60 -9.812 -6.981 4.788 1.00 0.22 N ATOM 969 CA THR A 60 -10.028 -7.688 3.535 1.00 0.22 C ATOM 970 C THR A 60 -10.403 -9.150 3.754 1.00 0.24 C ATOM 971 O THR A 60 -9.974 -9.782 4.714 1.00 0.33 O ATOM 972 CB THR A 60 -8.775 -7.595 2.653 1.00 0.21 C ATOM 973 OG1 THR A 60 -7.617 -7.514 3.485 1.00 0.25 O ATOM 974 CG2 THR A 60 -8.831 -6.375 1.759 1.00 0.24 C ATOM 0 H THR A 60 -8.836 -6.749 4.974 1.00 0.22 H new ATOM 0 HA THR A 60 -10.867 -7.207 3.033 1.00 0.22 H new ATOM 0 HB THR A 60 -8.728 -8.485 2.025 1.00 0.21 H new ATOM 0 HG1 THR A 60 -7.510 -6.595 3.808 1.00 0.25 H new ATOM 0 HG21 THR A 60 -7.932 -6.333 1.145 1.00 0.24 H new ATOM 0 HG22 THR A 60 -9.708 -6.436 1.115 1.00 0.24 H new ATOM 0 HG23 THR A 60 -8.894 -5.477 2.373 1.00 0.24 H new ATOM 982 N THR A 61 -11.210 -9.674 2.851 1.00 0.27 N ATOM 983 CA THR A 61 -11.701 -11.037 2.948 1.00 0.33 C ATOM 984 C THR A 61 -10.705 -12.032 2.366 1.00 0.33 C ATOM 985 O THR A 61 -10.814 -13.242 2.571 1.00 0.43 O ATOM 986 CB THR A 61 -13.031 -11.149 2.201 1.00 0.43 C ATOM 987 OG1 THR A 61 -12.926 -10.488 0.930 1.00 0.48 O ATOM 988 CG2 THR A 61 -14.153 -10.524 3.014 1.00 0.46 C ATOM 0 H THR A 61 -11.544 -9.168 2.030 1.00 0.27 H new ATOM 0 HA THR A 61 -11.839 -11.276 4.003 1.00 0.33 H new ATOM 0 HB THR A 61 -13.259 -12.204 2.046 1.00 0.43 H new ATOM 0 HG1 THR A 61 -13.778 -10.562 0.452 1.00 0.48 H new ATOM 0 HG21 THR A 61 -15.092 -10.613 2.467 1.00 0.46 H new ATOM 0 HG22 THR A 61 -14.240 -11.040 3.970 1.00 0.46 H new ATOM 0 HG23 THR A 61 -13.933 -9.471 3.188 1.00 0.46 H new ATOM 996 N SER A 62 -9.735 -11.507 1.647 1.00 0.28 N ATOM 997 CA SER A 62 -8.727 -12.316 0.985 1.00 0.31 C ATOM 998 C SER A 62 -7.352 -11.679 1.142 1.00 0.26 C ATOM 999 O SER A 62 -7.247 -10.478 1.393 1.00 0.24 O ATOM 1000 CB SER A 62 -9.080 -12.465 -0.496 1.00 0.41 C ATOM 1001 OG SER A 62 -9.423 -11.209 -1.066 1.00 1.09 O ATOM 0 H SER A 62 -9.621 -10.504 1.503 1.00 0.28 H new ATOM 0 HA SER A 62 -8.702 -13.304 1.445 1.00 0.31 H new ATOM 0 HB2 SER A 62 -8.234 -12.894 -1.034 1.00 0.41 H new ATOM 0 HB3 SER A 62 -9.913 -13.159 -0.607 1.00 0.41 H new ATOM 0 HG SER A 62 -9.643 -11.329 -2.013 1.00 1.09 H new ATOM 1007 N GLU A 63 -6.302 -12.479 1.012 1.00 0.26 N ATOM 1008 CA GLU A 63 -4.945 -11.966 1.130 1.00 0.23 C ATOM 1009 C GLU A 63 -4.481 -11.440 -0.217 1.00 0.24 C ATOM 1010 O GLU A 63 -4.788 -12.023 -1.261 1.00 0.35 O ATOM 1011 CB GLU A 63 -3.956 -13.036 1.624 1.00 0.25 C ATOM 1012 CG GLU A 63 -4.468 -13.904 2.766 1.00 0.34 C ATOM 1013 CD GLU A 63 -5.518 -14.898 2.320 1.00 1.20 C ATOM 1014 OE1 GLU A 63 -5.336 -15.524 1.261 1.00 1.44 O ATOM 1015 OE2 GLU A 63 -6.512 -15.084 3.053 1.00 2.06 O ATOM 0 H GLU A 63 -6.364 -13.480 0.826 1.00 0.26 H new ATOM 0 HA GLU A 63 -4.963 -11.165 1.869 1.00 0.23 H new ATOM 0 HB2 GLU A 63 -3.693 -13.682 0.786 1.00 0.25 H new ATOM 0 HB3 GLU A 63 -3.039 -12.542 1.945 1.00 0.25 H new ATOM 0 HG2 GLU A 63 -3.631 -14.442 3.211 1.00 0.34 H new ATOM 0 HG3 GLU A 63 -4.886 -13.265 3.543 1.00 0.34 H new ATOM 1022 N PHE A 64 -3.754 -10.343 -0.194 1.00 0.17 N ATOM 1023 CA PHE A 64 -3.227 -9.757 -1.410 1.00 0.17 C ATOM 1024 C PHE A 64 -1.722 -9.926 -1.462 1.00 0.16 C ATOM 1025 O PHE A 64 -1.085 -10.253 -0.457 1.00 0.15 O ATOM 1026 CB PHE A 64 -3.586 -8.277 -1.505 1.00 0.19 C ATOM 1027 CG PHE A 64 -5.030 -8.016 -1.838 1.00 0.21 C ATOM 1028 CD1 PHE A 64 -6.025 -8.329 -0.927 1.00 0.23 C ATOM 1029 CD2 PHE A 64 -5.394 -7.470 -3.060 1.00 0.26 C ATOM 1030 CE1 PHE A 64 -7.355 -8.100 -1.226 1.00 0.26 C ATOM 1031 CE2 PHE A 64 -6.720 -7.242 -3.363 1.00 0.29 C ATOM 1032 CZ PHE A 64 -7.690 -7.509 -2.459 1.00 0.28 C ATOM 0 H PHE A 64 -3.513 -9.836 0.658 1.00 0.17 H new ATOM 0 HA PHE A 64 -3.677 -10.275 -2.257 1.00 0.17 H new ATOM 0 HB2 PHE A 64 -3.350 -7.795 -0.556 1.00 0.19 H new ATOM 0 HB3 PHE A 64 -2.959 -7.810 -2.264 1.00 0.19 H new ATOM 0 HD1 PHE A 64 -5.759 -8.757 0.028 1.00 0.23 H new ATOM 0 HD2 PHE A 64 -4.631 -7.221 -3.782 1.00 0.26 H new ATOM 0 HE1 PHE A 64 -8.128 -8.371 -0.522 1.00 0.26 H new ATOM 0 HE2 PHE A 64 -6.987 -6.846 -4.332 1.00 0.29 H new ATOM 0 HZ PHE A 64 -8.719 -7.269 -2.683 1.00 0.28 H new ATOM 1042 N TYR A 65 -1.159 -9.705 -2.634 1.00 0.17 N ATOM 1043 CA TYR A 65 0.271 -9.847 -2.821 1.00 0.16 C ATOM 1044 C TYR A 65 0.961 -8.565 -2.392 1.00 0.16 C ATOM 1045 O TYR A 65 0.990 -7.589 -3.131 1.00 0.18 O ATOM 1046 CB TYR A 65 0.585 -10.166 -4.285 1.00 0.20 C ATOM 1047 CG TYR A 65 -0.304 -11.242 -4.861 1.00 0.30 C ATOM 1048 CD1 TYR A 65 -0.171 -12.566 -4.466 1.00 0.38 C ATOM 1049 CD2 TYR A 65 -1.292 -10.927 -5.786 1.00 0.40 C ATOM 1050 CE1 TYR A 65 -0.995 -13.547 -4.980 1.00 0.49 C ATOM 1051 CE2 TYR A 65 -2.122 -11.901 -6.301 1.00 0.51 C ATOM 1052 CZ TYR A 65 -1.970 -13.211 -5.897 1.00 0.54 C ATOM 1053 OH TYR A 65 -2.803 -14.184 -6.404 1.00 0.66 O ATOM 0 H TYR A 65 -1.671 -9.426 -3.471 1.00 0.17 H new ATOM 0 HA TYR A 65 0.638 -10.671 -2.210 1.00 0.16 H new ATOM 0 HB2 TYR A 65 0.478 -9.258 -4.879 1.00 0.20 H new ATOM 0 HB3 TYR A 65 1.625 -10.480 -4.367 1.00 0.20 H new ATOM 0 HD1 TYR A 65 0.588 -12.833 -3.746 1.00 0.38 H new ATOM 0 HD2 TYR A 65 -1.412 -9.903 -6.107 1.00 0.40 H new ATOM 0 HE1 TYR A 65 -0.877 -14.574 -4.666 1.00 0.49 H new ATOM 0 HE2 TYR A 65 -2.887 -11.639 -7.017 1.00 0.51 H new ATOM 0 HH TYR A 65 -3.433 -13.779 -7.036 1.00 0.66 H new ATOM 1063 N LEU A 66 1.499 -8.562 -1.192 1.00 0.15 N ATOM 1064 CA LEU A 66 2.061 -7.352 -0.623 1.00 0.16 C ATOM 1065 C LEU A 66 3.571 -7.327 -0.778 1.00 0.16 C ATOM 1066 O LEU A 66 4.223 -8.376 -0.853 1.00 0.20 O ATOM 1067 CB LEU A 66 1.687 -7.238 0.854 1.00 0.18 C ATOM 1068 CG LEU A 66 0.186 -7.260 1.140 1.00 0.19 C ATOM 1069 CD1 LEU A 66 -0.066 -7.182 2.636 1.00 0.22 C ATOM 1070 CD2 LEU A 66 -0.515 -6.119 0.418 1.00 0.19 C ATOM 0 H LEU A 66 1.560 -9.383 -0.590 1.00 0.15 H new ATOM 0 HA LEU A 66 1.646 -6.501 -1.164 1.00 0.16 H new ATOM 0 HB2 LEU A 66 2.158 -8.057 1.398 1.00 0.18 H new ATOM 0 HB3 LEU A 66 2.104 -6.312 1.249 1.00 0.18 H new ATOM 0 HG LEU A 66 -0.223 -8.199 0.768 1.00 0.19 H new ATOM 0 HD11 LEU A 66 -1.139 -7.199 2.826 1.00 0.22 H new ATOM 0 HD12 LEU A 66 0.403 -8.034 3.129 1.00 0.22 H new ATOM 0 HD13 LEU A 66 0.358 -6.258 3.029 1.00 0.22 H new ATOM 0 HD21 LEU A 66 -1.583 -6.153 0.635 1.00 0.19 H new ATOM 0 HD22 LEU A 66 -0.106 -5.168 0.757 1.00 0.19 H new ATOM 0 HD23 LEU A 66 -0.360 -6.218 -0.656 1.00 0.19 H new ATOM 1082 N SER A 67 4.112 -6.130 -0.855 1.00 0.17 N ATOM 1083 CA SER A 67 5.540 -5.942 -0.856 1.00 0.18 C ATOM 1084 C SER A 67 5.889 -4.916 0.205 1.00 0.22 C ATOM 1085 O SER A 67 5.608 -3.728 0.053 1.00 0.26 O ATOM 1086 CB SER A 67 5.985 -5.464 -2.232 1.00 0.22 C ATOM 1087 OG SER A 67 5.415 -6.269 -3.248 1.00 0.29 O ATOM 0 H SER A 67 3.574 -5.266 -0.918 1.00 0.17 H new ATOM 0 HA SER A 67 6.051 -6.879 -0.635 1.00 0.18 H new ATOM 0 HB2 SER A 67 5.689 -4.425 -2.375 1.00 0.22 H new ATOM 0 HB3 SER A 67 7.072 -5.498 -2.301 1.00 0.22 H new ATOM 0 HG SER A 67 5.948 -6.188 -4.067 1.00 0.29 H new ATOM 1093 N ASP A 68 6.496 -5.378 1.280 1.00 0.26 N ATOM 1094 CA ASP A 68 6.766 -4.520 2.419 1.00 0.34 C ATOM 1095 C ASP A 68 8.190 -4.008 2.356 1.00 0.29 C ATOM 1096 O ASP A 68 9.143 -4.752 2.576 1.00 0.34 O ATOM 1097 CB ASP A 68 6.526 -5.274 3.728 1.00 0.46 C ATOM 1098 CG ASP A 68 6.519 -4.351 4.928 1.00 1.12 C ATOM 1099 OD1 ASP A 68 5.752 -3.366 4.922 1.00 1.12 O ATOM 1100 OD2 ASP A 68 7.264 -4.612 5.894 1.00 2.01 O ATOM 0 H ASP A 68 6.812 -6.342 1.390 1.00 0.26 H new ATOM 0 HA ASP A 68 6.085 -3.669 2.385 1.00 0.34 H new ATOM 0 HB2 ASP A 68 5.574 -5.801 3.672 1.00 0.46 H new ATOM 0 HB3 ASP A 68 7.301 -6.029 3.857 1.00 0.46 H new ATOM 1105 N CYS A 69 8.334 -2.741 2.030 1.00 0.28 N ATOM 1106 CA CYS A 69 9.648 -2.158 1.866 1.00 0.26 C ATOM 1107 C CYS A 69 10.141 -1.574 3.176 1.00 0.30 C ATOM 1108 O CYS A 69 9.505 -0.686 3.750 1.00 0.35 O ATOM 1109 CB CYS A 69 9.618 -1.078 0.798 1.00 0.25 C ATOM 1110 SG CYS A 69 11.267 -0.470 0.352 1.00 0.62 S ATOM 0 H CYS A 69 7.559 -2.096 1.874 1.00 0.28 H new ATOM 0 HA CYS A 69 10.334 -2.946 1.554 1.00 0.26 H new ATOM 0 HB2 CYS A 69 9.129 -1.471 -0.093 1.00 0.25 H new ATOM 0 HB3 CYS A 69 9.013 -0.243 1.151 1.00 0.25 H new ATOM 1115 N ASN A 70 11.276 -2.066 3.640 1.00 0.35 N ATOM 1116 CA ASN A 70 11.826 -1.646 4.917 1.00 0.42 C ATOM 1117 C ASN A 70 13.236 -1.123 4.749 1.00 0.44 C ATOM 1118 O ASN A 70 13.965 -1.542 3.848 1.00 0.49 O ATOM 1119 CB ASN A 70 11.823 -2.808 5.914 1.00 0.51 C ATOM 1120 CG ASN A 70 10.427 -3.228 6.321 1.00 0.97 C ATOM 1121 OD1 ASN A 70 9.882 -2.734 7.309 1.00 1.93 O ATOM 1122 ND2 ASN A 70 9.838 -4.141 5.566 1.00 1.08 N ATOM 0 H ASN A 70 11.838 -2.761 3.148 1.00 0.35 H new ATOM 0 HA ASN A 70 11.197 -0.844 5.304 1.00 0.42 H new ATOM 0 HB2 ASN A 70 12.340 -3.660 5.473 1.00 0.51 H new ATOM 0 HB3 ASN A 70 12.384 -2.520 6.803 1.00 0.51 H new ATOM 0 HD21 ASN A 70 8.897 -4.461 5.794 1.00 1.08 H new ATOM 0 HD22 ASN A 70 10.325 -4.524 4.756 1.00 1.08 H new ATOM 1129 N VAL A 71 13.600 -0.189 5.603 1.00 0.47 N ATOM 1130 CA VAL A 71 14.947 0.345 5.627 1.00 0.51 C ATOM 1131 C VAL A 71 15.890 -0.654 6.287 1.00 0.56 C ATOM 1132 O VAL A 71 15.508 -1.371 7.218 1.00 0.60 O ATOM 1133 CB VAL A 71 14.987 1.712 6.354 1.00 0.54 C ATOM 1134 CG1 VAL A 71 14.737 1.559 7.847 1.00 0.90 C ATOM 1135 CG2 VAL A 71 16.298 2.438 6.090 1.00 0.82 C ATOM 0 H VAL A 71 12.974 0.220 6.297 1.00 0.47 H new ATOM 0 HA VAL A 71 15.277 0.509 4.601 1.00 0.51 H new ATOM 0 HB VAL A 71 14.180 2.321 5.947 1.00 0.54 H new ATOM 0 HG11 VAL A 71 14.773 2.538 8.324 1.00 0.90 H new ATOM 0 HG12 VAL A 71 13.756 1.112 8.008 1.00 0.90 H new ATOM 0 HG13 VAL A 71 15.503 0.916 8.280 1.00 0.90 H new ATOM 0 HG21 VAL A 71 16.296 3.394 6.613 1.00 0.82 H new ATOM 0 HG22 VAL A 71 17.129 1.830 6.448 1.00 0.82 H new ATOM 0 HG23 VAL A 71 16.409 2.611 5.020 1.00 0.82 H new ATOM 1145 N THR A 72 17.095 -0.726 5.764 1.00 0.58 N ATOM 1146 CA THR A 72 18.083 -1.674 6.236 1.00 0.64 C ATOM 1147 C THR A 72 18.880 -1.102 7.404 1.00 0.75 C ATOM 1148 O THR A 72 18.336 -0.425 8.280 1.00 0.93 O ATOM 1149 CB THR A 72 19.042 -2.049 5.092 1.00 0.71 C ATOM 1150 OG1 THR A 72 19.628 -0.865 4.534 1.00 0.78 O ATOM 1151 CG2 THR A 72 18.314 -2.816 4.000 1.00 0.78 C ATOM 0 H THR A 72 17.418 -0.131 5.001 1.00 0.58 H new ATOM 0 HA THR A 72 17.558 -2.565 6.580 1.00 0.64 H new ATOM 0 HB THR A 72 19.825 -2.686 5.503 1.00 0.71 H new ATOM 0 HG1 THR A 72 18.960 -0.393 3.994 1.00 0.78 H new ATOM 0 HG21 THR A 72 19.014 -3.069 3.204 1.00 0.78 H new ATOM 0 HG22 THR A 72 17.893 -3.731 4.417 1.00 0.78 H new ATOM 0 HG23 THR A 72 17.512 -2.199 3.595 1.00 0.78 H new ATOM 1159 N SER A 73 20.169 -1.383 7.408 1.00 0.86 N ATOM 1160 CA SER A 73 21.058 -0.887 8.440 1.00 1.02 C ATOM 1161 C SER A 73 21.559 0.501 8.063 1.00 0.90 C ATOM 1162 O SER A 73 22.067 1.248 8.901 1.00 0.99 O ATOM 1163 CB SER A 73 22.229 -1.843 8.626 1.00 1.33 C ATOM 1164 OG SER A 73 21.777 -3.183 8.770 1.00 1.87 O ATOM 0 H SER A 73 20.627 -1.958 6.701 1.00 0.86 H new ATOM 0 HA SER A 73 20.513 -0.821 9.382 1.00 1.02 H new ATOM 0 HB2 SER A 73 22.900 -1.772 7.770 1.00 1.33 H new ATOM 0 HB3 SER A 73 22.803 -1.553 9.506 1.00 1.33 H new ATOM 0 HG SER A 73 22.547 -3.777 8.886 1.00 1.87 H new ATOM 1170 N ARG A 74 21.404 0.839 6.790 1.00 0.81 N ATOM 1171 CA ARG A 74 21.807 2.142 6.297 1.00 0.76 C ATOM 1172 C ARG A 74 20.586 2.985 5.956 1.00 0.68 C ATOM 1173 O ARG A 74 19.689 2.539 5.238 1.00 0.63 O ATOM 1174 CB ARG A 74 22.723 2.005 5.078 1.00 0.88 C ATOM 1175 CG ARG A 74 24.144 1.597 5.431 1.00 1.40 C ATOM 1176 CD ARG A 74 25.003 1.406 4.191 1.00 1.55 C ATOM 1177 NE ARG A 74 26.402 1.158 4.535 1.00 2.35 N ATOM 1178 CZ ARG A 74 27.398 1.132 3.649 1.00 2.74 C ATOM 1179 NH1 ARG A 74 27.148 1.252 2.349 1.00 2.41 N ATOM 1180 NH2 ARG A 74 28.647 0.952 4.063 1.00 3.76 N ATOM 0 H ARG A 74 21.001 0.225 6.082 1.00 0.81 H new ATOM 0 HA ARG A 74 22.366 2.646 7.086 1.00 0.76 H new ATOM 0 HB2 ARG A 74 22.300 1.267 4.397 1.00 0.88 H new ATOM 0 HB3 ARG A 74 22.748 2.955 4.544 1.00 0.88 H new ATOM 0 HG2 ARG A 74 24.592 2.358 6.070 1.00 1.40 H new ATOM 0 HG3 ARG A 74 24.124 0.671 6.005 1.00 1.40 H new ATOM 0 HD2 ARG A 74 24.618 0.570 3.607 1.00 1.55 H new ATOM 0 HD3 ARG A 74 24.935 2.293 3.561 1.00 1.55 H new ATOM 0 HE ARG A 74 26.631 0.994 5.515 1.00 2.35 H new ATOM 0 HH11 ARG A 74 26.188 1.365 2.023 1.00 2.41 H new ATOM 0 HH12 ARG A 74 27.916 1.231 1.678 1.00 2.41 H new ATOM 0 HH21 ARG A 74 28.843 0.834 5.057 1.00 3.76 H new ATOM 0 HH22 ARG A 74 29.410 0.932 3.387 1.00 3.76 H new ATOM 1194 N PRO A 75 20.536 4.211 6.495 1.00 0.74 N ATOM 1195 CA PRO A 75 19.432 5.147 6.260 1.00 0.74 C ATOM 1196 C PRO A 75 19.171 5.381 4.775 1.00 0.65 C ATOM 1197 O PRO A 75 20.102 5.624 4.001 1.00 0.70 O ATOM 1198 CB PRO A 75 19.907 6.440 6.930 1.00 0.92 C ATOM 1199 CG PRO A 75 20.895 5.999 7.954 1.00 1.05 C ATOM 1200 CD PRO A 75 21.559 4.774 7.392 1.00 0.92 C ATOM 0 HA PRO A 75 18.490 4.768 6.657 1.00 0.74 H new ATOM 0 HB2 PRO A 75 20.363 7.116 6.206 1.00 0.92 H new ATOM 0 HB3 PRO A 75 19.076 6.976 7.388 1.00 0.92 H new ATOM 0 HG2 PRO A 75 21.626 6.782 8.153 1.00 1.05 H new ATOM 0 HG3 PRO A 75 20.402 5.776 8.900 1.00 1.05 H new ATOM 0 HD2 PRO A 75 22.472 5.024 6.852 1.00 0.92 H new ATOM 0 HD3 PRO A 75 21.835 4.071 8.178 1.00 0.92 H new ATOM 1208 N CYS A 76 17.902 5.290 4.394 1.00 0.57 N ATOM 1209 CA CYS A 76 17.464 5.510 3.015 1.00 0.52 C ATOM 1210 C CYS A 76 17.965 4.415 2.069 1.00 0.51 C ATOM 1211 O CYS A 76 17.921 4.568 0.848 1.00 0.55 O ATOM 1212 CB CYS A 76 17.886 6.902 2.519 1.00 0.58 C ATOM 1213 SG CYS A 76 17.266 8.282 3.554 1.00 1.55 S ATOM 0 H CYS A 76 17.142 5.060 5.034 1.00 0.57 H new ATOM 0 HA CYS A 76 16.375 5.461 3.013 1.00 0.52 H new ATOM 0 HB2 CYS A 76 18.974 6.949 2.483 1.00 0.58 H new ATOM 0 HB3 CYS A 76 17.527 7.037 1.499 1.00 0.58 H new ATOM 1218 N LYS A 77 18.421 3.303 2.631 1.00 0.50 N ATOM 1219 CA LYS A 77 18.739 2.122 1.840 1.00 0.50 C ATOM 1220 C LYS A 77 17.752 1.022 2.194 1.00 0.47 C ATOM 1221 O LYS A 77 17.616 0.655 3.361 1.00 0.51 O ATOM 1222 CB LYS A 77 20.181 1.670 2.075 1.00 0.60 C ATOM 1223 CG LYS A 77 21.209 2.736 1.721 1.00 1.30 C ATOM 1224 CD LYS A 77 21.067 3.206 0.278 1.00 1.57 C ATOM 1225 CE LYS A 77 21.405 2.102 -0.710 1.00 2.24 C ATOM 1226 NZ LYS A 77 21.332 2.568 -2.120 1.00 2.60 N ATOM 0 H LYS A 77 18.579 3.194 3.633 1.00 0.50 H new ATOM 0 HA LYS A 77 18.653 2.360 0.780 1.00 0.50 H new ATOM 0 HB2 LYS A 77 20.302 1.392 3.122 1.00 0.60 H new ATOM 0 HB3 LYS A 77 20.376 0.776 1.483 1.00 0.60 H new ATOM 0 HG2 LYS A 77 21.096 3.587 2.393 1.00 1.30 H new ATOM 0 HG3 LYS A 77 22.212 2.339 1.876 1.00 1.30 H new ATOM 0 HD2 LYS A 77 20.047 3.548 0.106 1.00 1.57 H new ATOM 0 HD3 LYS A 77 21.723 4.060 0.107 1.00 1.57 H new ATOM 0 HE2 LYS A 77 22.408 1.727 -0.504 1.00 2.24 H new ATOM 0 HE3 LYS A 77 20.718 1.268 -0.569 1.00 2.24 H new ATOM 0 HZ1 LYS A 77 21.850 1.905 -2.732 1.00 2.60 H new ATOM 0 HZ2 LYS A 77 20.337 2.611 -2.420 1.00 2.60 H new ATOM 0 HZ3 LYS A 77 21.758 3.514 -2.196 1.00 2.60 H new ATOM 1240 N TYR A 78 17.071 0.499 1.191 1.00 0.45 N ATOM 1241 CA TYR A 78 15.870 -0.292 1.421 1.00 0.47 C ATOM 1242 C TYR A 78 16.057 -1.753 1.050 1.00 0.52 C ATOM 1243 O TYR A 78 16.920 -2.103 0.243 1.00 0.59 O ATOM 1244 CB TYR A 78 14.717 0.276 0.597 1.00 0.48 C ATOM 1245 CG TYR A 78 14.749 1.779 0.434 1.00 0.65 C ATOM 1246 CD1 TYR A 78 14.234 2.620 1.408 1.00 0.91 C ATOM 1247 CD2 TYR A 78 15.290 2.353 -0.711 1.00 0.74 C ATOM 1248 CE1 TYR A 78 14.257 3.992 1.244 1.00 1.15 C ATOM 1249 CE2 TYR A 78 15.319 3.721 -0.879 1.00 0.99 C ATOM 1250 CZ TYR A 78 14.800 4.534 0.097 1.00 1.17 C ATOM 1251 OH TYR A 78 14.820 5.897 -0.074 1.00 1.44 O ATOM 0 H TYR A 78 17.326 0.606 0.209 1.00 0.45 H new ATOM 0 HA TYR A 78 15.652 -0.239 2.488 1.00 0.47 H new ATOM 0 HB2 TYR A 78 14.730 -0.185 -0.391 1.00 0.48 H new ATOM 0 HB3 TYR A 78 13.776 -0.007 1.068 1.00 0.48 H new ATOM 0 HD1 TYR A 78 13.809 2.198 2.307 1.00 0.91 H new ATOM 0 HD2 TYR A 78 15.695 1.715 -1.483 1.00 0.74 H new ATOM 0 HE1 TYR A 78 13.852 4.637 2.010 1.00 1.15 H new ATOM 0 HE2 TYR A 78 15.747 4.150 -1.773 1.00 0.99 H new ATOM 0 HH TYR A 78 15.237 6.113 -0.934 1.00 1.44 H new ATOM 1261 N LYS A 79 15.223 -2.591 1.647 1.00 0.53 N ATOM 1262 CA LYS A 79 15.145 -4.000 1.303 1.00 0.58 C ATOM 1263 C LYS A 79 13.676 -4.383 1.128 1.00 0.46 C ATOM 1264 O LYS A 79 12.805 -3.853 1.826 1.00 0.47 O ATOM 1265 CB LYS A 79 15.796 -4.852 2.397 1.00 0.78 C ATOM 1266 CG LYS A 79 16.831 -5.840 1.875 1.00 1.39 C ATOM 1267 CD LYS A 79 18.008 -5.122 1.231 1.00 2.02 C ATOM 1268 CE LYS A 79 19.131 -6.080 0.856 1.00 2.63 C ATOM 1269 NZ LYS A 79 18.709 -7.058 -0.181 1.00 3.52 N ATOM 0 H LYS A 79 14.579 -2.310 2.387 1.00 0.53 H new ATOM 0 HA LYS A 79 15.682 -4.182 0.372 1.00 0.58 H new ATOM 0 HB2 LYS A 79 16.271 -4.192 3.123 1.00 0.78 H new ATOM 0 HB3 LYS A 79 15.018 -5.402 2.927 1.00 0.78 H new ATOM 0 HG2 LYS A 79 17.187 -6.463 2.695 1.00 1.39 H new ATOM 0 HG3 LYS A 79 16.366 -6.506 1.147 1.00 1.39 H new ATOM 0 HD2 LYS A 79 17.667 -4.597 0.338 1.00 2.02 H new ATOM 0 HD3 LYS A 79 18.391 -4.367 1.918 1.00 2.02 H new ATOM 0 HE2 LYS A 79 19.986 -5.511 0.490 1.00 2.63 H new ATOM 0 HE3 LYS A 79 19.462 -6.616 1.746 1.00 2.63 H new ATOM 0 HZ1 LYS A 79 19.513 -7.668 -0.430 1.00 3.52 H new ATOM 0 HZ2 LYS A 79 17.932 -7.643 0.189 1.00 3.52 H new ATOM 0 HZ3 LYS A 79 18.386 -6.548 -1.028 1.00 3.52 H new ATOM 1283 N LEU A 80 13.400 -5.285 0.198 1.00 0.45 N ATOM 1284 CA LEU A 80 12.026 -5.623 -0.155 1.00 0.41 C ATOM 1285 C LEU A 80 11.587 -6.911 0.546 1.00 0.42 C ATOM 1286 O LEU A 80 12.394 -7.813 0.771 1.00 0.49 O ATOM 1287 CB LEU A 80 11.913 -5.751 -1.683 1.00 0.50 C ATOM 1288 CG LEU A 80 10.495 -5.736 -2.270 1.00 0.58 C ATOM 1289 CD1 LEU A 80 9.868 -7.119 -2.248 1.00 1.34 C ATOM 1290 CD2 LEU A 80 9.617 -4.743 -1.530 1.00 0.74 C ATOM 0 H LEU A 80 14.109 -5.797 -0.327 1.00 0.45 H new ATOM 0 HA LEU A 80 11.359 -4.829 0.182 1.00 0.41 H new ATOM 0 HB2 LEU A 80 12.478 -4.936 -2.136 1.00 0.50 H new ATOM 0 HB3 LEU A 80 12.397 -6.680 -1.984 1.00 0.50 H new ATOM 0 HG LEU A 80 10.574 -5.423 -3.311 1.00 0.58 H new ATOM 0 HD11 LEU A 80 8.865 -7.070 -2.671 1.00 1.34 H new ATOM 0 HD12 LEU A 80 10.477 -7.804 -2.837 1.00 1.34 H new ATOM 0 HD13 LEU A 80 9.811 -7.476 -1.220 1.00 1.34 H new ATOM 0 HD21 LEU A 80 8.617 -4.749 -1.963 1.00 0.74 H new ATOM 0 HD22 LEU A 80 9.559 -5.022 -0.478 1.00 0.74 H new ATOM 0 HD23 LEU A 80 10.044 -3.744 -1.617 1.00 0.74 H new ATOM 1302 N LYS A 81 10.305 -6.985 0.888 1.00 0.40 N ATOM 1303 CA LYS A 81 9.752 -8.136 1.599 1.00 0.44 C ATOM 1304 C LYS A 81 8.480 -8.625 0.910 1.00 0.38 C ATOM 1305 O LYS A 81 7.447 -7.956 0.940 1.00 0.36 O ATOM 1306 CB LYS A 81 9.458 -7.759 3.059 1.00 0.49 C ATOM 1307 CG LYS A 81 8.884 -8.889 3.900 1.00 0.60 C ATOM 1308 CD LYS A 81 8.744 -8.475 5.358 1.00 0.71 C ATOM 1309 CE LYS A 81 8.130 -9.580 6.207 1.00 1.18 C ATOM 1310 NZ LYS A 81 6.691 -9.796 5.899 1.00 1.87 N ATOM 0 H LYS A 81 9.623 -6.255 0.683 1.00 0.40 H new ATOM 0 HA LYS A 81 10.484 -8.944 1.585 1.00 0.44 H new ATOM 0 HB2 LYS A 81 10.380 -7.410 3.523 1.00 0.49 H new ATOM 0 HB3 LYS A 81 8.759 -6.923 3.071 1.00 0.49 H new ATOM 0 HG2 LYS A 81 7.910 -9.180 3.507 1.00 0.60 H new ATOM 0 HG3 LYS A 81 9.531 -9.764 3.828 1.00 0.60 H new ATOM 0 HD2 LYS A 81 9.724 -8.214 5.757 1.00 0.71 H new ATOM 0 HD3 LYS A 81 8.124 -7.581 5.423 1.00 0.71 H new ATOM 0 HE2 LYS A 81 8.678 -10.508 6.043 1.00 1.18 H new ATOM 0 HE3 LYS A 81 8.240 -9.328 7.262 1.00 1.18 H new ATOM 0 HZ1 LYS A 81 6.330 -10.591 6.465 1.00 1.87 H new ATOM 0 HZ2 LYS A 81 6.154 -8.936 6.129 1.00 1.87 H new ATOM 0 HZ3 LYS A 81 6.581 -10.013 4.888 1.00 1.87 H new ATOM 1324 N LYS A 82 8.569 -9.781 0.270 1.00 0.40 N ATOM 1325 CA LYS A 82 7.428 -10.373 -0.405 1.00 0.37 C ATOM 1326 C LYS A 82 6.589 -11.184 0.577 1.00 0.36 C ATOM 1327 O LYS A 82 7.074 -12.148 1.173 1.00 0.46 O ATOM 1328 CB LYS A 82 7.903 -11.272 -1.545 1.00 0.47 C ATOM 1329 CG LYS A 82 8.703 -10.542 -2.613 1.00 0.54 C ATOM 1330 CD LYS A 82 9.189 -11.500 -3.684 1.00 0.76 C ATOM 1331 CE LYS A 82 9.875 -10.768 -4.828 1.00 0.90 C ATOM 1332 NZ LYS A 82 10.310 -11.703 -5.899 1.00 1.10 N ATOM 0 H LYS A 82 9.426 -10.330 0.205 1.00 0.40 H new ATOM 0 HA LYS A 82 6.813 -9.571 -0.813 1.00 0.37 H new ATOM 0 HB2 LYS A 82 8.515 -12.074 -1.132 1.00 0.47 H new ATOM 0 HB3 LYS A 82 7.036 -11.740 -2.011 1.00 0.47 H new ATOM 0 HG2 LYS A 82 8.086 -9.767 -3.067 1.00 0.54 H new ATOM 0 HG3 LYS A 82 9.556 -10.042 -2.154 1.00 0.54 H new ATOM 0 HD2 LYS A 82 9.882 -12.216 -3.243 1.00 0.76 H new ATOM 0 HD3 LYS A 82 8.345 -12.070 -4.072 1.00 0.76 H new ATOM 0 HE2 LYS A 82 9.193 -10.028 -5.247 1.00 0.90 H new ATOM 0 HE3 LYS A 82 10.740 -10.225 -4.446 1.00 0.90 H new ATOM 0 HZ1 LYS A 82 10.773 -11.167 -6.661 1.00 1.10 H new ATOM 0 HZ2 LYS A 82 10.980 -12.394 -5.505 1.00 1.10 H new ATOM 0 HZ3 LYS A 82 9.482 -12.203 -6.281 1.00 1.10 H new ATOM 1346 N SER A 83 5.339 -10.781 0.762 1.00 0.31 N ATOM 1347 CA SER A 83 4.437 -11.489 1.657 1.00 0.36 C ATOM 1348 C SER A 83 2.999 -11.421 1.141 1.00 0.31 C ATOM 1349 O SER A 83 2.576 -10.405 0.594 1.00 0.50 O ATOM 1350 CB SER A 83 4.518 -10.882 3.060 1.00 0.46 C ATOM 1351 OG SER A 83 5.858 -10.846 3.529 1.00 1.12 O ATOM 0 H SER A 83 4.928 -9.968 0.304 1.00 0.31 H new ATOM 0 HA SER A 83 4.739 -12.536 1.698 1.00 0.36 H new ATOM 0 HB2 SER A 83 4.108 -9.872 3.046 1.00 0.46 H new ATOM 0 HB3 SER A 83 3.905 -11.465 3.747 1.00 0.46 H new ATOM 0 HG SER A 83 6.059 -11.677 4.008 1.00 1.12 H new ATOM 1357 N THR A 84 2.260 -12.508 1.298 1.00 0.25 N ATOM 1358 CA THR A 84 0.851 -12.527 0.941 1.00 0.23 C ATOM 1359 C THR A 84 0.003 -12.469 2.207 1.00 0.22 C ATOM 1360 O THR A 84 0.007 -13.406 3.009 1.00 0.29 O ATOM 1361 CB THR A 84 0.500 -13.801 0.148 1.00 0.27 C ATOM 1362 OG1 THR A 84 1.581 -14.137 -0.735 1.00 0.35 O ATOM 1363 CG2 THR A 84 -0.772 -13.604 -0.664 1.00 0.27 C ATOM 0 H THR A 84 2.613 -13.389 1.671 1.00 0.25 H new ATOM 0 HA THR A 84 0.644 -11.660 0.314 1.00 0.23 H new ATOM 0 HB THR A 84 0.337 -14.611 0.859 1.00 0.27 H new ATOM 0 HG1 THR A 84 1.354 -14.948 -1.236 1.00 0.35 H new ATOM 0 HG21 THR A 84 -0.998 -14.517 -1.214 1.00 0.27 H new ATOM 0 HG22 THR A 84 -1.599 -13.371 0.006 1.00 0.27 H new ATOM 0 HG23 THR A 84 -0.632 -12.783 -1.367 1.00 0.27 H new ATOM 1371 N ASN A 85 -0.713 -11.371 2.391 1.00 0.18 N ATOM 1372 CA ASN A 85 -1.511 -11.176 3.595 1.00 0.18 C ATOM 1373 C ASN A 85 -2.686 -10.265 3.293 1.00 0.17 C ATOM 1374 O ASN A 85 -2.673 -9.533 2.301 1.00 0.18 O ATOM 1375 CB ASN A 85 -0.672 -10.554 4.714 1.00 0.21 C ATOM 1376 CG ASN A 85 -1.148 -10.953 6.100 1.00 0.30 C ATOM 1377 OD1 ASN A 85 -2.321 -11.256 6.310 1.00 0.61 O ATOM 1378 ND2 ASN A 85 -0.239 -10.944 7.061 1.00 0.37 N ATOM 0 H ASN A 85 -0.759 -10.601 1.724 1.00 0.18 H new ATOM 0 HA ASN A 85 -1.870 -12.151 3.924 1.00 0.18 H new ATOM 0 HB2 ASN A 85 0.368 -10.855 4.592 1.00 0.21 H new ATOM 0 HB3 ASN A 85 -0.702 -9.468 4.623 1.00 0.21 H new ATOM 0 HD21 ASN A 85 -0.502 -11.194 8.014 1.00 0.37 H new ATOM 0 HD22 ASN A 85 0.725 -10.687 6.849 1.00 0.37 H new ATOM 1385 N LYS A 86 -3.714 -10.335 4.123 1.00 0.19 N ATOM 1386 CA LYS A 86 -4.805 -9.391 4.052 1.00 0.19 C ATOM 1387 C LYS A 86 -4.337 -8.053 4.602 1.00 0.18 C ATOM 1388 O LYS A 86 -3.235 -7.944 5.139 1.00 0.21 O ATOM 1389 CB LYS A 86 -5.991 -9.890 4.874 1.00 0.24 C ATOM 1390 CG LYS A 86 -6.452 -11.298 4.531 1.00 0.37 C ATOM 1391 CD LYS A 86 -7.649 -11.675 5.374 1.00 0.33 C ATOM 1392 CE LYS A 86 -8.241 -13.016 4.990 1.00 0.55 C ATOM 1393 NZ LYS A 86 -7.355 -14.151 5.350 1.00 1.17 N ATOM 0 H LYS A 86 -3.811 -11.040 4.854 1.00 0.19 H new ATOM 0 HA LYS A 86 -5.118 -9.281 3.014 1.00 0.19 H new ATOM 0 HB2 LYS A 86 -5.724 -9.857 5.930 1.00 0.24 H new ATOM 0 HB3 LYS A 86 -6.827 -9.204 4.735 1.00 0.24 H new ATOM 0 HG2 LYS A 86 -6.710 -11.357 3.474 1.00 0.37 H new ATOM 0 HG3 LYS A 86 -5.641 -12.006 4.701 1.00 0.37 H new ATOM 0 HD2 LYS A 86 -7.355 -11.700 6.423 1.00 0.33 H new ATOM 0 HD3 LYS A 86 -8.414 -10.904 5.276 1.00 0.33 H new ATOM 0 HE2 LYS A 86 -9.204 -13.140 5.485 1.00 0.55 H new ATOM 0 HE3 LYS A 86 -8.430 -13.033 3.917 1.00 0.55 H new ATOM 0 HZ1 LYS A 86 -7.905 -14.874 5.855 1.00 1.17 H new ATOM 0 HZ2 LYS A 86 -6.952 -14.564 4.485 1.00 1.17 H new ATOM 0 HZ3 LYS A 86 -6.586 -13.811 5.962 1.00 1.17 H new ATOM 1407 N PHE A 87 -5.167 -7.043 4.479 1.00 0.17 N ATOM 1408 CA PHE A 87 -4.871 -5.748 5.054 1.00 0.18 C ATOM 1409 C PHE A 87 -6.151 -4.985 5.355 1.00 0.18 C ATOM 1410 O PHE A 87 -7.172 -5.176 4.691 1.00 0.19 O ATOM 1411 CB PHE A 87 -3.948 -4.930 4.139 1.00 0.20 C ATOM 1412 CG PHE A 87 -4.421 -4.789 2.716 1.00 0.18 C ATOM 1413 CD1 PHE A 87 -5.416 -3.885 2.380 1.00 0.22 C ATOM 1414 CD2 PHE A 87 -3.849 -5.550 1.710 1.00 0.27 C ATOM 1415 CE1 PHE A 87 -5.835 -3.749 1.072 1.00 0.22 C ATOM 1416 CE2 PHE A 87 -4.263 -5.412 0.400 1.00 0.29 C ATOM 1417 CZ PHE A 87 -5.258 -4.513 0.080 1.00 0.20 C ATOM 0 H PHE A 87 -6.057 -7.092 3.984 1.00 0.17 H new ATOM 0 HA PHE A 87 -4.344 -5.913 5.994 1.00 0.18 H new ATOM 0 HB2 PHE A 87 -3.828 -3.934 4.566 1.00 0.20 H new ATOM 0 HB3 PHE A 87 -2.962 -5.395 4.134 1.00 0.20 H new ATOM 0 HD1 PHE A 87 -5.869 -3.279 3.151 1.00 0.22 H new ATOM 0 HD2 PHE A 87 -3.071 -6.259 1.953 1.00 0.27 H new ATOM 0 HE1 PHE A 87 -6.615 -3.044 0.826 1.00 0.22 H new ATOM 0 HE2 PHE A 87 -3.807 -6.009 -0.375 1.00 0.29 H new ATOM 0 HZ PHE A 87 -5.584 -4.408 -0.944 1.00 0.20 H new ATOM 1427 N CYS A 88 -6.096 -4.159 6.384 1.00 0.20 N ATOM 1428 CA CYS A 88 -7.220 -3.329 6.770 1.00 0.20 C ATOM 1429 C CYS A 88 -7.060 -1.942 6.160 1.00 0.20 C ATOM 1430 O CYS A 88 -6.018 -1.299 6.333 1.00 0.23 O ATOM 1431 CB CYS A 88 -7.283 -3.220 8.292 1.00 0.25 C ATOM 1432 SG CYS A 88 -8.726 -2.305 8.915 1.00 0.49 S ATOM 0 H CYS A 88 -5.272 -4.046 6.974 1.00 0.20 H new ATOM 0 HA CYS A 88 -8.144 -3.779 6.407 1.00 0.20 H new ATOM 0 HB2 CYS A 88 -7.292 -4.224 8.717 1.00 0.25 H new ATOM 0 HB3 CYS A 88 -6.376 -2.732 8.648 1.00 0.25 H new ATOM 1437 N VAL A 89 -8.068 -1.486 5.440 1.00 0.21 N ATOM 1438 CA VAL A 89 -8.021 -0.173 4.818 1.00 0.22 C ATOM 1439 C VAL A 89 -9.137 0.712 5.349 1.00 0.24 C ATOM 1440 O VAL A 89 -10.246 0.244 5.604 1.00 0.24 O ATOM 1441 CB VAL A 89 -8.112 -0.250 3.273 1.00 0.21 C ATOM 1442 CG1 VAL A 89 -6.781 -0.688 2.683 1.00 0.22 C ATOM 1443 CG2 VAL A 89 -9.226 -1.197 2.833 1.00 0.20 C ATOM 0 H VAL A 89 -8.930 -2.004 5.271 1.00 0.21 H new ATOM 0 HA VAL A 89 -7.055 0.261 5.075 1.00 0.22 H new ATOM 0 HB VAL A 89 -8.349 0.747 2.901 1.00 0.21 H new ATOM 0 HG11 VAL A 89 -6.863 -0.737 1.597 1.00 0.22 H new ATOM 0 HG12 VAL A 89 -6.008 0.030 2.957 1.00 0.22 H new ATOM 0 HG13 VAL A 89 -6.517 -1.672 3.072 1.00 0.22 H new ATOM 0 HG21 VAL A 89 -9.266 -1.231 1.744 1.00 0.20 H new ATOM 0 HG22 VAL A 89 -9.028 -2.197 3.220 1.00 0.20 H new ATOM 0 HG23 VAL A 89 -10.181 -0.841 3.220 1.00 0.20 H new ATOM 1453 N THR A 90 -8.831 1.985 5.546 1.00 0.26 N ATOM 1454 CA THR A 90 -9.834 2.939 5.965 1.00 0.28 C ATOM 1455 C THR A 90 -10.610 3.415 4.743 1.00 0.25 C ATOM 1456 O THR A 90 -10.084 4.162 3.910 1.00 0.25 O ATOM 1457 CB THR A 90 -9.199 4.153 6.669 1.00 0.33 C ATOM 1458 OG1 THR A 90 -8.335 3.714 7.726 1.00 0.35 O ATOM 1459 CG2 THR A 90 -10.267 5.078 7.238 1.00 0.40 C ATOM 0 H THR A 90 -7.897 2.376 5.422 1.00 0.26 H new ATOM 0 HA THR A 90 -10.500 2.447 6.674 1.00 0.28 H new ATOM 0 HB THR A 90 -8.620 4.705 5.928 1.00 0.33 H new ATOM 0 HG1 THR A 90 -8.859 3.229 8.397 1.00 0.35 H new ATOM 0 HG21 THR A 90 -9.790 5.926 7.729 1.00 0.40 H new ATOM 0 HG22 THR A 90 -10.904 5.438 6.430 1.00 0.40 H new ATOM 0 HG23 THR A 90 -10.872 4.533 7.962 1.00 0.40 H new ATOM 1467 N CYS A 91 -11.845 2.965 4.628 1.00 0.23 N ATOM 1468 CA CYS A 91 -12.670 3.277 3.478 1.00 0.22 C ATOM 1469 C CYS A 91 -13.566 4.474 3.747 1.00 0.25 C ATOM 1470 O CYS A 91 -14.317 4.491 4.722 1.00 0.29 O ATOM 1471 CB CYS A 91 -13.518 2.064 3.123 1.00 0.20 C ATOM 1472 SG CYS A 91 -12.538 0.559 2.848 1.00 0.20 S ATOM 0 H CYS A 91 -12.302 2.377 5.325 1.00 0.23 H new ATOM 0 HA CYS A 91 -12.016 3.531 2.644 1.00 0.22 H new ATOM 0 HB2 CYS A 91 -14.233 1.882 3.925 1.00 0.20 H new ATOM 0 HB3 CYS A 91 -14.095 2.283 2.225 1.00 0.20 H new ATOM 1477 N GLU A 92 -13.474 5.470 2.883 1.00 0.24 N ATOM 1478 CA GLU A 92 -14.343 6.631 2.952 1.00 0.29 C ATOM 1479 C GLU A 92 -14.680 7.077 1.535 1.00 0.27 C ATOM 1480 O GLU A 92 -13.796 7.155 0.684 1.00 0.27 O ATOM 1481 CB GLU A 92 -13.674 7.767 3.730 1.00 0.38 C ATOM 1482 CG GLU A 92 -14.640 8.851 4.183 1.00 0.48 C ATOM 1483 CD GLU A 92 -13.936 10.053 4.778 1.00 0.56 C ATOM 1484 OE1 GLU A 92 -13.366 10.862 4.009 1.00 0.76 O ATOM 1485 OE2 GLU A 92 -13.958 10.209 6.015 1.00 0.76 O ATOM 0 H GLU A 92 -12.799 5.497 2.119 1.00 0.24 H new ATOM 0 HA GLU A 92 -15.259 6.366 3.480 1.00 0.29 H new ATOM 0 HB2 GLU A 92 -13.173 7.351 4.604 1.00 0.38 H new ATOM 0 HB3 GLU A 92 -12.903 8.218 3.105 1.00 0.38 H new ATOM 0 HG2 GLU A 92 -15.243 9.172 3.334 1.00 0.48 H new ATOM 0 HG3 GLU A 92 -15.326 8.435 4.921 1.00 0.48 H new ATOM 1492 N ASN A 93 -15.960 7.337 1.284 1.00 0.29 N ATOM 1493 CA ASN A 93 -16.448 7.694 -0.054 1.00 0.31 C ATOM 1494 C ASN A 93 -16.132 6.589 -1.057 1.00 0.28 C ATOM 1495 O ASN A 93 -15.869 6.854 -2.231 1.00 0.31 O ATOM 1496 CB ASN A 93 -15.856 9.026 -0.536 1.00 0.35 C ATOM 1497 CG ASN A 93 -16.255 10.195 0.336 1.00 0.43 C ATOM 1498 OD1 ASN A 93 -17.326 10.778 0.164 1.00 0.69 O ATOM 1499 ND2 ASN A 93 -15.381 10.568 1.253 1.00 0.65 N ATOM 0 H ASN A 93 -16.690 7.308 1.996 1.00 0.29 H new ATOM 0 HA ASN A 93 -17.529 7.811 0.016 1.00 0.31 H new ATOM 0 HB2 ASN A 93 -14.769 8.949 -0.557 1.00 0.35 H new ATOM 0 HB3 ASN A 93 -16.182 9.214 -1.559 1.00 0.35 H new ATOM 0 HD21 ASN A 93 -15.581 11.368 1.853 1.00 0.65 H new ATOM 0 HD22 ASN A 93 -14.505 10.056 1.361 1.00 0.65 H new ATOM 1506 N GLN A 94 -16.174 5.352 -0.568 1.00 0.26 N ATOM 1507 CA GLN A 94 -15.962 4.153 -1.377 1.00 0.25 C ATOM 1508 C GLN A 94 -14.524 4.050 -1.877 1.00 0.22 C ATOM 1509 O GLN A 94 -14.249 3.348 -2.848 1.00 0.26 O ATOM 1510 CB GLN A 94 -16.934 4.102 -2.558 1.00 0.31 C ATOM 1511 CG GLN A 94 -18.391 4.295 -2.167 1.00 0.36 C ATOM 1512 CD GLN A 94 -19.338 3.991 -3.310 1.00 0.44 C ATOM 1513 OE1 GLN A 94 -20.490 3.626 -3.098 1.00 0.69 O ATOM 1514 NE2 GLN A 94 -18.841 4.104 -4.526 1.00 0.48 N ATOM 0 H GLN A 94 -16.359 5.151 0.415 1.00 0.26 H new ATOM 0 HA GLN A 94 -16.155 3.298 -0.728 1.00 0.25 H new ATOM 0 HB2 GLN A 94 -16.656 4.872 -3.278 1.00 0.31 H new ATOM 0 HB3 GLN A 94 -16.828 3.141 -3.062 1.00 0.31 H new ATOM 0 HG2 GLN A 94 -18.627 3.649 -1.321 1.00 0.36 H new ATOM 0 HG3 GLN A 94 -18.543 5.322 -1.836 1.00 0.36 H new ATOM 0 HE21 GLN A 94 -17.877 4.411 -4.656 1.00 0.48 H new ATOM 0 HE22 GLN A 94 -19.420 3.884 -5.336 1.00 0.48 H new ATOM 1523 N ALA A 95 -13.608 4.718 -1.197 1.00 0.20 N ATOM 1524 CA ALA A 95 -12.207 4.680 -1.585 1.00 0.19 C ATOM 1525 C ALA A 95 -11.295 4.533 -0.371 1.00 0.17 C ATOM 1526 O ALA A 95 -11.527 5.155 0.668 1.00 0.19 O ATOM 1527 CB ALA A 95 -11.846 5.933 -2.370 1.00 0.21 C ATOM 0 H ALA A 95 -13.807 5.291 -0.377 1.00 0.20 H new ATOM 0 HA ALA A 95 -12.058 3.806 -2.219 1.00 0.19 H new ATOM 0 HB1 ALA A 95 -10.795 5.893 -2.655 1.00 0.21 H new ATOM 0 HB2 ALA A 95 -12.463 5.991 -3.267 1.00 0.21 H new ATOM 0 HB3 ALA A 95 -12.021 6.813 -1.751 1.00 0.21 H new ATOM 1533 N PRO A 96 -10.279 3.662 -0.477 1.00 0.16 N ATOM 1534 CA PRO A 96 -9.221 3.555 0.529 1.00 0.17 C ATOM 1535 C PRO A 96 -8.420 4.851 0.633 1.00 0.19 C ATOM 1536 O PRO A 96 -7.650 5.188 -0.263 1.00 0.25 O ATOM 1537 CB PRO A 96 -8.325 2.419 0.023 1.00 0.19 C ATOM 1538 CG PRO A 96 -9.114 1.706 -1.025 1.00 0.17 C ATOM 1539 CD PRO A 96 -10.111 2.691 -1.570 1.00 0.17 C ATOM 0 HA PRO A 96 -9.626 3.366 1.523 1.00 0.17 H new ATOM 0 HB2 PRO A 96 -7.394 2.810 -0.388 1.00 0.19 H new ATOM 0 HB3 PRO A 96 -8.056 1.744 0.835 1.00 0.19 H new ATOM 0 HG2 PRO A 96 -8.461 1.340 -1.817 1.00 0.17 H new ATOM 0 HG3 PRO A 96 -9.620 0.838 -0.603 1.00 0.17 H new ATOM 0 HD2 PRO A 96 -9.745 3.170 -2.478 1.00 0.17 H new ATOM 0 HD3 PRO A 96 -11.054 2.207 -1.823 1.00 0.17 H new ATOM 1547 N VAL A 97 -8.619 5.583 1.718 1.00 0.20 N ATOM 1548 CA VAL A 97 -7.953 6.871 1.896 1.00 0.24 C ATOM 1549 C VAL A 97 -6.872 6.801 2.970 1.00 0.27 C ATOM 1550 O VAL A 97 -5.980 7.647 3.026 1.00 0.35 O ATOM 1551 CB VAL A 97 -8.963 7.977 2.258 1.00 0.29 C ATOM 1552 CG1 VAL A 97 -9.884 8.268 1.082 1.00 0.33 C ATOM 1553 CG2 VAL A 97 -9.768 7.574 3.481 1.00 0.35 C ATOM 0 H VAL A 97 -9.232 5.312 2.487 1.00 0.20 H new ATOM 0 HA VAL A 97 -7.483 7.116 0.943 1.00 0.24 H new ATOM 0 HB VAL A 97 -8.411 8.888 2.491 1.00 0.29 H new ATOM 0 HG11 VAL A 97 -10.590 9.052 1.358 1.00 0.33 H new ATOM 0 HG12 VAL A 97 -9.291 8.597 0.229 1.00 0.33 H new ATOM 0 HG13 VAL A 97 -10.432 7.364 0.816 1.00 0.33 H new ATOM 0 HG21 VAL A 97 -10.478 8.364 3.726 1.00 0.35 H new ATOM 0 HG22 VAL A 97 -10.310 6.652 3.272 1.00 0.35 H new ATOM 0 HG23 VAL A 97 -9.095 7.417 4.324 1.00 0.35 H new ATOM 1563 N HIS A 98 -6.962 5.796 3.821 1.00 0.30 N ATOM 1564 CA HIS A 98 -5.990 5.601 4.885 1.00 0.35 C ATOM 1565 C HIS A 98 -5.659 4.120 5.006 1.00 0.31 C ATOM 1566 O HIS A 98 -6.512 3.267 4.750 1.00 0.31 O ATOM 1567 CB HIS A 98 -6.523 6.131 6.224 1.00 0.42 C ATOM 1568 CG HIS A 98 -6.621 7.625 6.314 1.00 0.57 C ATOM 1569 ND1 HIS A 98 -5.590 8.420 6.754 1.00 1.03 N ATOM 1570 CD2 HIS A 98 -7.646 8.469 6.040 1.00 0.75 C ATOM 1571 CE1 HIS A 98 -5.974 9.680 6.747 1.00 1.08 C ATOM 1572 NE2 HIS A 98 -7.215 9.738 6.317 1.00 0.82 N ATOM 0 H HIS A 98 -7.704 5.096 3.797 1.00 0.30 H new ATOM 0 HA HIS A 98 -5.087 6.159 4.636 1.00 0.35 H new ATOM 0 HB2 HIS A 98 -7.511 5.705 6.400 1.00 0.42 H new ATOM 0 HB3 HIS A 98 -5.874 5.774 7.024 1.00 0.42 H new ATOM 0 HD2 HIS A 98 -8.622 8.191 5.671 1.00 0.75 H new ATOM 0 HE1 HIS A 98 -5.370 10.524 7.045 1.00 1.08 H new ATOM 0 HE2 HIS A 98 -7.766 10.589 6.208 1.00 0.82 H new ATOM 1581 N PHE A 99 -4.433 3.812 5.384 1.00 0.31 N ATOM 1582 CA PHE A 99 -4.010 2.429 5.523 1.00 0.29 C ATOM 1583 C PHE A 99 -3.852 2.077 6.996 1.00 0.29 C ATOM 1584 O PHE A 99 -3.056 2.692 7.708 1.00 0.36 O ATOM 1585 CB PHE A 99 -2.698 2.192 4.771 1.00 0.31 C ATOM 1586 CG PHE A 99 -2.295 0.746 4.708 1.00 0.30 C ATOM 1587 CD1 PHE A 99 -2.995 -0.153 3.920 1.00 0.29 C ATOM 1588 CD2 PHE A 99 -1.214 0.286 5.445 1.00 0.32 C ATOM 1589 CE1 PHE A 99 -2.626 -1.483 3.868 1.00 0.29 C ATOM 1590 CE2 PHE A 99 -0.840 -1.043 5.397 1.00 0.33 C ATOM 1591 CZ PHE A 99 -1.548 -1.928 4.573 1.00 0.31 C ATOM 0 H PHE A 99 -3.712 4.500 5.601 1.00 0.31 H new ATOM 0 HA PHE A 99 -4.774 1.784 5.089 1.00 0.29 H new ATOM 0 HB2 PHE A 99 -2.795 2.578 3.756 1.00 0.31 H new ATOM 0 HB3 PHE A 99 -1.904 2.761 5.254 1.00 0.31 H new ATOM 0 HD1 PHE A 99 -3.839 0.190 3.340 1.00 0.29 H new ATOM 0 HD2 PHE A 99 -0.658 0.975 6.064 1.00 0.32 H new ATOM 0 HE1 PHE A 99 -3.195 -2.175 3.265 1.00 0.29 H new ATOM 0 HE2 PHE A 99 -0.009 -1.397 5.989 1.00 0.33 H new ATOM 0 HZ PHE A 99 -1.240 -2.960 4.497 1.00 0.31 H new ATOM 1601 N VAL A 100 -4.617 1.093 7.443 1.00 0.28 N ATOM 1602 CA VAL A 100 -4.605 0.683 8.838 1.00 0.28 C ATOM 1603 C VAL A 100 -3.408 -0.221 9.126 1.00 0.28 C ATOM 1604 O VAL A 100 -2.525 0.131 9.907 1.00 0.32 O ATOM 1605 CB VAL A 100 -5.914 -0.044 9.207 1.00 0.27 C ATOM 1606 CG1 VAL A 100 -5.889 -0.513 10.653 1.00 0.29 C ATOM 1607 CG2 VAL A 100 -7.114 0.859 8.950 1.00 0.29 C ATOM 0 H VAL A 100 -5.258 0.561 6.855 1.00 0.28 H new ATOM 0 HA VAL A 100 -4.521 1.582 9.449 1.00 0.28 H new ATOM 0 HB VAL A 100 -6.005 -0.926 8.573 1.00 0.27 H new ATOM 0 HG11 VAL A 100 -6.824 -1.022 10.887 1.00 0.29 H new ATOM 0 HG12 VAL A 100 -5.055 -1.200 10.798 1.00 0.29 H new ATOM 0 HG13 VAL A 100 -5.770 0.347 11.312 1.00 0.29 H new ATOM 0 HG21 VAL A 100 -8.030 0.331 9.215 1.00 0.29 H new ATOM 0 HG22 VAL A 100 -7.027 1.761 9.555 1.00 0.29 H new ATOM 0 HG23 VAL A 100 -7.145 1.131 7.895 1.00 0.29 H new ATOM 1617 N GLY A 101 -3.393 -1.383 8.494 1.00 0.28 N ATOM 1618 CA GLY A 101 -2.274 -2.299 8.621 1.00 0.29 C ATOM 1619 C GLY A 101 -2.582 -3.616 7.962 1.00 0.25 C ATOM 1620 O GLY A 101 -3.730 -3.866 7.600 1.00 0.28 O ATOM 0 H GLY A 101 -4.144 -1.713 7.888 1.00 0.28 H new ATOM 0 HA2 GLY A 101 -1.386 -1.860 8.167 1.00 0.29 H new ATOM 0 HA3 GLY A 101 -2.048 -2.459 9.675 1.00 0.29 H new ATOM 1624 N VAL A 102 -1.581 -4.457 7.790 1.00 0.25 N ATOM 1625 CA VAL A 102 -1.804 -5.745 7.156 1.00 0.22 C ATOM 1626 C VAL A 102 -2.198 -6.777 8.203 1.00 0.24 C ATOM 1627 O VAL A 102 -1.870 -6.636 9.384 1.00 0.28 O ATOM 1628 CB VAL A 102 -0.576 -6.232 6.344 1.00 0.24 C ATOM 1629 CG1 VAL A 102 0.205 -5.056 5.779 1.00 0.27 C ATOM 1630 CG2 VAL A 102 0.330 -7.145 7.156 1.00 0.25 C ATOM 0 H VAL A 102 -0.618 -4.278 8.075 1.00 0.25 H new ATOM 0 HA VAL A 102 -2.619 -5.620 6.443 1.00 0.22 H new ATOM 0 HB VAL A 102 -0.961 -6.823 5.513 1.00 0.24 H new ATOM 0 HG11 VAL A 102 1.061 -5.425 5.214 1.00 0.27 H new ATOM 0 HG12 VAL A 102 -0.440 -4.473 5.121 1.00 0.27 H new ATOM 0 HG13 VAL A 102 0.555 -4.425 6.596 1.00 0.27 H new ATOM 0 HG21 VAL A 102 1.175 -7.459 6.543 1.00 0.25 H new ATOM 0 HG22 VAL A 102 0.696 -6.609 8.031 1.00 0.25 H new ATOM 0 HG23 VAL A 102 -0.231 -8.023 7.477 1.00 0.25 H new ATOM 1640 N GLY A 103 -2.923 -7.791 7.776 1.00 0.24 N ATOM 1641 CA GLY A 103 -3.366 -8.819 8.688 1.00 0.29 C ATOM 1642 C GLY A 103 -4.798 -8.611 9.131 1.00 0.28 C ATOM 1643 O GLY A 103 -5.681 -9.396 8.785 1.00 0.34 O ATOM 0 H GLY A 103 -3.215 -7.923 6.808 1.00 0.24 H new ATOM 0 HA2 GLY A 103 -3.274 -9.793 8.208 1.00 0.29 H new ATOM 0 HA3 GLY A 103 -2.715 -8.832 9.562 1.00 0.29 H new ATOM 1647 N SER A 104 -5.035 -7.546 9.883 1.00 0.33 N ATOM 1648 CA SER A 104 -6.358 -7.272 10.417 1.00 0.32 C ATOM 1649 C SER A 104 -6.470 -5.813 10.849 1.00 0.39 C ATOM 1650 O SER A 104 -5.509 -5.048 10.748 1.00 0.59 O ATOM 1651 CB SER A 104 -6.645 -8.203 11.599 1.00 0.45 C ATOM 1652 OG SER A 104 -8.001 -8.144 12.003 1.00 1.38 O ATOM 0 H SER A 104 -4.326 -6.858 10.137 1.00 0.33 H new ATOM 0 HA SER A 104 -7.096 -7.454 9.636 1.00 0.32 H new ATOM 0 HB2 SER A 104 -6.393 -9.227 11.324 1.00 0.45 H new ATOM 0 HB3 SER A 104 -6.004 -7.932 12.438 1.00 0.45 H new ATOM 0 HG SER A 104 -8.144 -8.753 12.758 1.00 1.38 H new ATOM 1658 N CYS A 105 -7.654 -5.442 11.308 1.00 0.39 N ATOM 1659 CA CYS A 105 -7.914 -4.096 11.798 1.00 0.53 C ATOM 1660 C CYS A 105 -7.643 -4.031 13.296 1.00 0.48 C ATOM 1661 O CYS A 105 -8.476 -4.556 14.070 1.00 1.10 O ATOM 1662 CB CYS A 105 -9.367 -3.698 11.527 1.00 0.82 C ATOM 1663 SG CYS A 105 -9.857 -3.746 9.777 1.00 1.01 S ATOM 1664 OXT CYS A 105 -6.610 -3.459 13.700 1.00 1.20 O ATOM 0 H CYS A 105 -8.462 -6.063 11.352 1.00 0.39 H new ATOM 0 HA CYS A 105 -7.254 -3.404 11.275 1.00 0.53 H new ATOM 0 HB2 CYS A 105 -10.022 -4.362 12.091 1.00 0.82 H new ATOM 0 HB3 CYS A 105 -9.530 -2.690 11.908 1.00 0.82 H new