USER MOD reduce.3.24.130724 H: found=0, std=0, add=825, rem=0, adj=24 USER MOD reduce.3.24.130724 removed 825 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 82 SER OG : rot 180:sc= -0.278 USER MOD Set 1.2: A 84 ASN : amide:sc= -1.74! K(o=-2!,f=-0.4) USER MOD Set 2.1: A 76 HIS : no HD1:sc= -0.117 X(o=-0.14,f=-0.21) USER MOD Set 2.2: A 78 LYS NZ :NH3+ -162:sc= -0.025 (180deg=-0.291) USER MOD Set 3.1: A 35 THR OG1 : rot 180:sc= -0.323 USER MOD Set 3.2: A 67 GLN : amide:sc=-0.00206 X(o=-0.32,f=-0.71) USER MOD Set 4.1: A 23 MET CE :methyl -115:sc= -2.51 (180deg=-2.79!) USER MOD Set 4.2: A 34 ASN : amide:sc= -2.61! C(o=-5.1!,f=-4.8!) USER MOD Set 5.1: A 5 THR OG1 : rot 132:sc= 0.929 USER MOD Set 5.2: A 9 LYS NZ :NH3+ -139:sc= 0.653 (180deg=0) USER MOD Single : A 7 GLN : amide:sc= -4.34! C(o=-4.3!,f=-4.5!) USER MOD Single : A 8 LYS NZ :NH3+ 160:sc= -0.107 (180deg=-0.631) USER MOD Single : A 10 HIS : no HE2:sc= -4.55! C(o=-4.6!,f=-12!) USER MOD Single : A 12 THR OG1 : rot 68:sc= -1.31! USER MOD Single : A 14 THR OG1 : rot 180:sc= 0 USER MOD Single : A 15 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 16 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 18 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 25 LYS NZ :NH3+ 158:sc= -2.42! (180deg=-4.05!) USER MOD Single : A 31 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 32 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 33 THR OG1 : rot 180:sc= 0 USER MOD Single : A 38 TYR OH : rot 180:sc= 0 USER MOD Single : A 45 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 49 LYS NZ :NH3+ 162:sc= -0.0335 (180deg=-0.37) USER MOD Single : A 50 ASN : amide:sc= -0.0153 K(o=-0.015,f=0.9) USER MOD Single : A 54 ASN : amide:sc= -3.11! K(o=-3.1!,f=-1.1) USER MOD Single : A 55 THR OG1 : rot 180:sc= -0.138 USER MOD Single : A 59 SER OG : rot 133:sc= 1.07 USER MOD Single : A 72 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 77 TYR OH : rot -96:sc= -0.111 USER MOD Single : A 80 SER OG : rot 180:sc= 0 USER MOD Single : A 81 SER OG : rot -12:sc= -1.86! USER MOD Single : A 83 THR OG1 : rot 180:sc= 0.0494 USER MOD Single : A 85 THR OG1 : rot -62:sc= 1.34 USER MOD Single : A 87 CYS SG : rot 18:sc= -1.1 USER MOD Single : A 89 THR OG1 : rot 180:sc= 0 USER MOD Single : A 92 ASN : amide:sc= -2.23! K(o=-2.2!,f=-0.055) USER MOD Single : A 93 GLN : amide:sc= -3.22! C(o=-3.2!,f=-8.7!) USER MOD Single : A 97 HIS : no HD1:sc= -0.0808 X(o=-0.081,f=-0.28) USER MOD Single : A 103 SER OG : rot 180:sc= 0 USER MOD ----------------------------------------------------------------- ATOM 15 N ASP A 2 -6.591 10.721 -0.854 1.00 1.00 N ATOM 16 CA ASP A 2 -6.784 10.937 -2.315 1.00 1.00 C ATOM 17 C ASP A 2 -6.303 9.691 -3.064 1.00 1.00 C ATOM 18 O ASP A 2 -5.230 9.179 -2.812 1.00 1.00 O ATOM 19 CB ASP A 2 -5.977 12.163 -2.764 1.00 1.00 C ATOM 20 CG ASP A 2 -6.823 13.427 -2.593 1.00 1.00 C ATOM 21 OD1 ASP A 2 -7.866 13.508 -3.221 1.00 1.00 O ATOM 22 OD2 ASP A 2 -6.415 14.292 -1.835 1.00 1.00 O ATOM 0 HA ASP A 2 -7.838 11.111 -2.532 1.00 1.00 H new ATOM 0 HB2 ASP A 2 -5.062 12.244 -2.177 1.00 1.00 H new ATOM 0 HB3 ASP A 2 -5.678 12.052 -3.806 1.00 1.00 H new ATOM 27 N TRP A 3 -7.094 9.189 -3.970 1.00 1.00 N ATOM 28 CA TRP A 3 -6.689 7.967 -4.721 1.00 1.00 C ATOM 29 C TRP A 3 -5.352 8.215 -5.422 1.00 1.00 C ATOM 30 O TRP A 3 -4.548 7.319 -5.575 1.00 1.00 O ATOM 31 CB TRP A 3 -7.788 7.623 -5.734 1.00 1.00 C ATOM 32 CG TRP A 3 -7.248 6.809 -6.873 1.00 1.00 C ATOM 33 CD1 TRP A 3 -7.512 7.055 -8.175 1.00 1.00 C ATOM 34 CD2 TRP A 3 -6.388 5.627 -6.845 1.00 1.00 C ATOM 35 NE1 TRP A 3 -6.863 6.112 -8.951 1.00 1.00 N ATOM 36 CE2 TRP A 3 -6.158 5.211 -8.179 1.00 1.00 C ATOM 37 CE3 TRP A 3 -5.786 4.884 -5.810 1.00 1.00 C ATOM 38 CZ2 TRP A 3 -5.364 4.103 -8.475 1.00 1.00 C ATOM 39 CZ3 TRP A 3 -4.987 3.768 -6.106 1.00 1.00 C ATOM 40 CH2 TRP A 3 -4.777 3.379 -7.436 1.00 1.00 C ATOM 0 H TRP A 3 -8.005 9.572 -4.224 1.00 1.00 H new ATOM 0 HA TRP A 3 -6.562 7.126 -4.039 1.00 1.00 H new ATOM 0 HB2 TRP A 3 -8.584 7.070 -5.235 1.00 1.00 H new ATOM 0 HB3 TRP A 3 -8.230 8.542 -6.119 1.00 1.00 H new ATOM 0 HD1 TRP A 3 -8.130 7.858 -8.549 1.00 1.00 H new ATOM 0 HE1 TRP A 3 -6.901 6.086 -9.970 1.00 1.00 H new ATOM 0 HE3 TRP A 3 -5.940 5.175 -4.781 1.00 1.00 H new ATOM 0 HZ2 TRP A 3 -5.204 3.807 -9.501 1.00 1.00 H new ATOM 0 HZ3 TRP A 3 -4.532 3.206 -5.304 1.00 1.00 H new ATOM 0 HH2 TRP A 3 -4.161 2.520 -7.657 1.00 1.00 H new ATOM 51 N GLU A 4 -5.097 9.425 -5.837 1.00 1.00 N ATOM 52 CA GLU A 4 -3.802 9.715 -6.515 1.00 1.00 C ATOM 53 C GLU A 4 -2.650 9.425 -5.553 1.00 1.00 C ATOM 54 O GLU A 4 -1.990 8.413 -5.652 1.00 1.00 O ATOM 55 CB GLU A 4 -3.761 11.186 -6.937 1.00 1.00 C ATOM 56 CG GLU A 4 -4.890 11.465 -7.932 1.00 1.00 C ATOM 57 CD GLU A 4 -4.587 10.766 -9.259 1.00 1.00 C ATOM 58 OE1 GLU A 4 -3.818 11.313 -10.031 1.00 1.00 O ATOM 59 OE2 GLU A 4 -5.128 9.695 -9.478 1.00 1.00 O ATOM 0 H GLU A 4 -5.726 10.222 -5.737 1.00 1.00 H new ATOM 0 HA GLU A 4 -3.705 9.085 -7.399 1.00 1.00 H new ATOM 0 HB2 GLU A 4 -3.866 11.829 -6.063 1.00 1.00 H new ATOM 0 HB3 GLU A 4 -2.797 11.418 -7.390 1.00 1.00 H new ATOM 0 HG2 GLU A 4 -5.839 11.110 -7.530 1.00 1.00 H new ATOM 0 HG3 GLU A 4 -4.993 12.539 -8.090 1.00 1.00 H new ATOM 66 N THR A 5 -2.400 10.300 -4.617 1.00 1.00 N ATOM 67 CA THR A 5 -1.288 10.053 -3.658 1.00 1.00 C ATOM 68 C THR A 5 -1.425 8.644 -3.089 1.00 1.00 C ATOM 69 O THR A 5 -0.485 7.875 -3.082 1.00 1.00 O ATOM 70 CB THR A 5 -1.348 11.074 -2.524 1.00 1.00 C ATOM 71 OG1 THR A 5 -0.243 10.877 -1.654 1.00 1.00 O ATOM 72 CG2 THR A 5 -2.652 10.904 -1.742 1.00 1.00 C ATOM 0 H THR A 5 -2.914 11.169 -4.476 1.00 1.00 H new ATOM 0 HA THR A 5 -0.332 10.150 -4.173 1.00 1.00 H new ATOM 0 HB THR A 5 -1.310 12.080 -2.942 1.00 1.00 H new ATOM 0 HG1 THR A 5 0.191 11.738 -1.476 1.00 1.00 H new ATOM 0 HG21 THR A 5 -2.690 11.635 -0.934 1.00 1.00 H new ATOM 0 HG22 THR A 5 -3.500 11.057 -2.410 1.00 1.00 H new ATOM 0 HG23 THR A 5 -2.697 9.898 -1.324 1.00 1.00 H new ATOM 80 N PHE A 6 -2.592 8.292 -2.622 1.00 1.00 N ATOM 81 CA PHE A 6 -2.779 6.925 -2.071 1.00 1.00 C ATOM 82 C PHE A 6 -2.225 5.915 -3.076 1.00 1.00 C ATOM 83 O PHE A 6 -1.851 4.814 -2.728 1.00 1.00 O ATOM 84 CB PHE A 6 -4.269 6.664 -1.849 1.00 1.00 C ATOM 85 CG PHE A 6 -4.449 5.366 -1.103 1.00 1.00 C ATOM 86 CD1 PHE A 6 -4.204 5.312 0.273 1.00 1.00 C ATOM 87 CD2 PHE A 6 -4.858 4.214 -1.787 1.00 1.00 C ATOM 88 CE1 PHE A 6 -4.368 4.107 0.965 1.00 1.00 C ATOM 89 CE2 PHE A 6 -5.023 3.010 -1.094 1.00 1.00 C ATOM 90 CZ PHE A 6 -4.778 2.956 0.282 1.00 1.00 C ATOM 0 H PHE A 6 -3.418 8.890 -2.599 1.00 1.00 H new ATOM 0 HA PHE A 6 -2.255 6.829 -1.120 1.00 1.00 H new ATOM 0 HB2 PHE A 6 -4.712 7.484 -1.284 1.00 1.00 H new ATOM 0 HB3 PHE A 6 -4.788 6.620 -2.807 1.00 1.00 H new ATOM 0 HD1 PHE A 6 -3.888 6.200 0.801 1.00 1.00 H new ATOM 0 HD2 PHE A 6 -5.046 4.255 -2.850 1.00 1.00 H new ATOM 0 HE1 PHE A 6 -4.178 4.065 2.027 1.00 1.00 H new ATOM 0 HE2 PHE A 6 -5.340 2.122 -1.621 1.00 1.00 H new ATOM 0 HZ PHE A 6 -4.905 2.027 0.817 1.00 1.00 H new ATOM 100 N GLN A 7 -2.161 6.291 -4.325 1.00 1.00 N ATOM 101 CA GLN A 7 -1.622 5.363 -5.356 1.00 1.00 C ATOM 102 C GLN A 7 -0.114 5.580 -5.480 1.00 1.00 C ATOM 103 O GLN A 7 0.603 4.753 -6.005 1.00 1.00 O ATOM 104 CB GLN A 7 -2.289 5.656 -6.707 1.00 1.00 C ATOM 105 CG GLN A 7 -1.921 4.568 -7.722 1.00 1.00 C ATOM 106 CD GLN A 7 -0.541 4.862 -8.316 1.00 1.00 C ATOM 107 OE1 GLN A 7 0.305 3.992 -8.376 1.00 1.00 O ATOM 108 NE2 GLN A 7 -0.277 6.061 -8.760 1.00 1.00 N ATOM 0 H GLN A 7 -2.459 7.202 -4.674 1.00 1.00 H new ATOM 0 HA GLN A 7 -1.827 4.332 -5.067 1.00 1.00 H new ATOM 0 HB2 GLN A 7 -3.371 5.700 -6.585 1.00 1.00 H new ATOM 0 HB3 GLN A 7 -1.970 6.631 -7.075 1.00 1.00 H new ATOM 0 HG2 GLN A 7 -1.919 3.591 -7.238 1.00 1.00 H new ATOM 0 HG3 GLN A 7 -2.668 4.529 -8.515 1.00 1.00 H new ATOM 0 HE21 GLN A 7 -0.987 6.791 -8.710 1.00 1.00 H new ATOM 0 HE22 GLN A 7 0.639 6.267 -9.157 1.00 1.00 H new ATOM 117 N LYS A 8 0.368 6.706 -5.025 1.00 1.00 N ATOM 118 CA LYS A 8 1.824 6.997 -5.146 1.00 1.00 C ATOM 119 C LYS A 8 2.608 6.461 -3.938 1.00 1.00 C ATOM 120 O LYS A 8 3.639 5.836 -4.094 1.00 1.00 O ATOM 121 CB LYS A 8 2.018 8.513 -5.237 1.00 1.00 C ATOM 122 CG LYS A 8 1.129 9.086 -6.350 1.00 1.00 C ATOM 123 CD LYS A 8 1.859 8.996 -7.694 1.00 1.00 C ATOM 124 CE LYS A 8 0.962 9.555 -8.800 1.00 1.00 C ATOM 125 NZ LYS A 8 0.648 10.982 -8.512 1.00 1.00 N ATOM 0 H LYS A 8 -0.184 7.436 -4.575 1.00 1.00 H new ATOM 0 HA LYS A 8 2.201 6.503 -6.041 1.00 1.00 H new ATOM 0 HB2 LYS A 8 1.768 8.979 -4.284 1.00 1.00 H new ATOM 0 HB3 LYS A 8 3.064 8.743 -5.440 1.00 1.00 H new ATOM 0 HG2 LYS A 8 0.190 8.535 -6.398 1.00 1.00 H new ATOM 0 HG3 LYS A 8 0.879 10.124 -6.130 1.00 1.00 H new ATOM 0 HD2 LYS A 8 2.793 9.556 -7.651 1.00 1.00 H new ATOM 0 HD3 LYS A 8 2.118 7.960 -7.910 1.00 1.00 H new ATOM 0 HE2 LYS A 8 1.461 9.469 -9.765 1.00 1.00 H new ATOM 0 HE3 LYS A 8 0.041 8.975 -8.864 1.00 1.00 H new ATOM 0 HZ1 LYS A 8 0.342 11.454 -9.387 1.00 1.00 H new ATOM 0 HZ2 LYS A 8 -0.114 11.034 -7.806 1.00 1.00 H new ATOM 0 HZ3 LYS A 8 1.496 11.456 -8.142 1.00 1.00 H new ATOM 139 N LYS A 9 2.161 6.725 -2.738 1.00 1.00 N ATOM 140 CA LYS A 9 2.928 6.256 -1.543 1.00 1.00 C ATOM 141 C LYS A 9 2.484 4.856 -1.088 1.00 1.00 C ATOM 142 O LYS A 9 3.306 4.028 -0.751 1.00 1.00 O ATOM 143 CB LYS A 9 2.733 7.248 -0.390 1.00 1.00 C ATOM 144 CG LYS A 9 1.267 7.693 -0.323 1.00 1.00 C ATOM 145 CD LYS A 9 0.947 8.187 1.093 1.00 1.00 C ATOM 146 CE LYS A 9 -0.324 9.042 1.069 1.00 1.00 C ATOM 147 NZ LYS A 9 0.028 10.441 0.695 1.00 1.00 N ATOM 0 H LYS A 9 1.305 7.241 -2.533 1.00 1.00 H new ATOM 0 HA LYS A 9 3.979 6.199 -1.825 1.00 1.00 H new ATOM 0 HB2 LYS A 9 3.024 6.785 0.553 1.00 1.00 H new ATOM 0 HB3 LYS A 9 3.379 8.115 -0.532 1.00 1.00 H new ATOM 0 HG2 LYS A 9 1.083 8.487 -1.047 1.00 1.00 H new ATOM 0 HG3 LYS A 9 0.611 6.863 -0.587 1.00 1.00 H new ATOM 0 HD2 LYS A 9 0.812 7.338 1.763 1.00 1.00 H new ATOM 0 HD3 LYS A 9 1.782 8.770 1.482 1.00 1.00 H new ATOM 0 HE2 LYS A 9 -1.038 8.632 0.355 1.00 1.00 H new ATOM 0 HE3 LYS A 9 -0.805 9.025 2.047 1.00 1.00 H new ATOM 0 HZ1 LYS A 9 -0.517 11.105 1.282 1.00 1.00 H new ATOM 0 HZ2 LYS A 9 1.045 10.596 0.849 1.00 1.00 H new ATOM 0 HZ3 LYS A 9 -0.198 10.600 -0.308 1.00 1.00 H new ATOM 161 N HIS A 10 1.208 4.586 -1.033 1.00 1.00 N ATOM 162 CA HIS A 10 0.762 3.241 -0.552 1.00 1.00 C ATOM 163 C HIS A 10 0.860 2.191 -1.659 1.00 1.00 C ATOM 164 O HIS A 10 0.706 1.023 -1.399 1.00 1.00 O ATOM 165 CB HIS A 10 -0.684 3.321 -0.062 1.00 1.00 C ATOM 166 CG HIS A 10 -0.786 4.340 1.039 1.00 1.00 C ATOM 167 ND1 HIS A 10 -1.619 5.445 0.951 1.00 1.00 N ATOM 168 CD2 HIS A 10 -0.166 4.435 2.263 1.00 1.00 C ATOM 169 CE1 HIS A 10 -1.483 6.150 2.089 1.00 1.00 C ATOM 170 NE2 HIS A 10 -0.611 5.576 2.919 1.00 1.00 N ATOM 0 H HIS A 10 0.460 5.228 -1.296 1.00 1.00 H new ATOM 0 HA HIS A 10 1.420 2.943 0.265 1.00 1.00 H new ATOM 0 HB2 HIS A 10 -1.344 3.593 -0.886 1.00 1.00 H new ATOM 0 HB3 HIS A 10 -1.011 2.346 0.299 1.00 1.00 H new ATOM 0 HD1 HIS A 10 -2.225 5.681 0.165 1.00 1.00 H new ATOM 0 HD2 HIS A 10 0.555 3.732 2.654 1.00 1.00 H new ATOM 0 HE1 HIS A 10 -2.014 7.066 2.303 1.00 1.00 H new ATOM 179 N LEU A 11 1.107 2.579 -2.884 1.00 1.00 N ATOM 180 CA LEU A 11 1.198 1.558 -3.979 1.00 1.00 C ATOM 181 C LEU A 11 2.525 1.696 -4.724 1.00 1.00 C ATOM 182 O LEU A 11 3.078 2.772 -4.836 1.00 1.00 O ATOM 183 CB LEU A 11 0.047 1.769 -4.971 1.00 1.00 C ATOM 184 CG LEU A 11 -1.121 0.839 -4.634 1.00 1.00 C ATOM 185 CD1 LEU A 11 -1.732 1.232 -3.286 1.00 1.00 C ATOM 186 CD2 LEU A 11 -2.185 0.947 -5.725 1.00 1.00 C ATOM 0 H LEU A 11 1.249 3.546 -3.175 1.00 1.00 H new ATOM 0 HA LEU A 11 1.135 0.564 -3.537 1.00 1.00 H new ATOM 0 HB2 LEU A 11 -0.284 2.807 -4.939 1.00 1.00 H new ATOM 0 HB3 LEU A 11 0.393 1.576 -5.987 1.00 1.00 H new ATOM 0 HG LEU A 11 -0.756 -0.187 -4.575 1.00 1.00 H new ATOM 0 HD11 LEU A 11 -2.562 0.565 -3.055 1.00 1.00 H new ATOM 0 HD12 LEU A 11 -0.975 1.153 -2.506 1.00 1.00 H new ATOM 0 HD13 LEU A 11 -2.095 2.259 -3.336 1.00 1.00 H new ATOM 0 HD21 LEU A 11 -3.018 0.286 -5.487 1.00 1.00 H new ATOM 0 HD22 LEU A 11 -2.543 1.975 -5.784 1.00 1.00 H new ATOM 0 HD23 LEU A 11 -1.754 0.658 -6.683 1.00 1.00 H new ATOM 198 N THR A 12 3.024 0.610 -5.258 1.00 1.00 N ATOM 199 CA THR A 12 4.303 0.672 -6.027 1.00 1.00 C ATOM 200 C THR A 12 4.141 -0.115 -7.328 1.00 1.00 C ATOM 201 O THR A 12 3.048 -0.496 -7.698 1.00 1.00 O ATOM 202 CB THR A 12 5.453 0.077 -5.210 1.00 1.00 C ATOM 203 OG1 THR A 12 6.569 -0.112 -6.067 1.00 1.00 O ATOM 204 CG2 THR A 12 5.039 -1.271 -4.603 1.00 1.00 C ATOM 0 H THR A 12 2.601 -0.316 -5.195 1.00 1.00 H new ATOM 0 HA THR A 12 4.536 1.714 -6.245 1.00 1.00 H new ATOM 0 HB THR A 12 5.710 0.758 -4.399 1.00 1.00 H new ATOM 0 HG1 THR A 12 6.919 0.760 -6.346 1.00 1.00 H new ATOM 0 HG21 THR A 12 5.868 -1.680 -4.026 1.00 1.00 H new ATOM 0 HG22 THR A 12 4.178 -1.127 -3.950 1.00 1.00 H new ATOM 0 HG23 THR A 12 4.776 -1.964 -5.402 1.00 1.00 H new ATOM 212 N ASP A 13 5.218 -0.352 -8.033 1.00 1.00 N ATOM 213 CA ASP A 13 5.121 -1.103 -9.319 1.00 1.00 C ATOM 214 C ASP A 13 5.963 -2.382 -9.262 1.00 1.00 C ATOM 215 O ASP A 13 6.167 -3.032 -10.268 1.00 1.00 O ATOM 216 CB ASP A 13 5.631 -0.218 -10.458 1.00 1.00 C ATOM 217 CG ASP A 13 5.360 -0.902 -11.799 1.00 1.00 C ATOM 218 OD1 ASP A 13 4.219 -0.882 -12.232 1.00 1.00 O ATOM 219 OD2 ASP A 13 6.297 -1.436 -12.369 1.00 1.00 O ATOM 0 H ASP A 13 6.159 -0.058 -7.773 1.00 1.00 H new ATOM 0 HA ASP A 13 4.079 -1.375 -9.489 1.00 1.00 H new ATOM 0 HB2 ASP A 13 5.137 0.753 -10.427 1.00 1.00 H new ATOM 0 HB3 ASP A 13 6.699 -0.036 -10.340 1.00 1.00 H new ATOM 224 N THR A 14 6.461 -2.758 -8.110 1.00 1.00 N ATOM 225 CA THR A 14 7.286 -4.001 -8.045 1.00 1.00 C ATOM 226 C THR A 14 7.070 -4.706 -6.705 1.00 1.00 C ATOM 227 O THR A 14 6.764 -4.087 -5.706 1.00 1.00 O ATOM 228 CB THR A 14 8.764 -3.636 -8.194 1.00 1.00 C ATOM 229 OG1 THR A 14 9.539 -4.825 -8.264 1.00 1.00 O ATOM 230 CG2 THR A 14 9.205 -2.806 -6.991 1.00 1.00 C ATOM 0 H THR A 14 6.334 -2.266 -7.225 1.00 1.00 H new ATOM 0 HA THR A 14 6.987 -4.670 -8.852 1.00 1.00 H new ATOM 0 HB THR A 14 8.908 -3.056 -9.106 1.00 1.00 H new ATOM 0 HG1 THR A 14 10.486 -4.593 -8.361 1.00 1.00 H new ATOM 0 HG21 THR A 14 10.258 -2.545 -7.095 1.00 1.00 H new ATOM 0 HG22 THR A 14 8.609 -1.895 -6.939 1.00 1.00 H new ATOM 0 HG23 THR A 14 9.063 -3.385 -6.078 1.00 1.00 H new ATOM 238 N LYS A 15 7.237 -6.000 -6.680 1.00 1.00 N ATOM 239 CA LYS A 15 7.052 -6.755 -5.410 1.00 1.00 C ATOM 240 C LYS A 15 8.232 -6.462 -4.482 1.00 1.00 C ATOM 241 O LYS A 15 8.120 -6.536 -3.274 1.00 1.00 O ATOM 242 CB LYS A 15 7.000 -8.254 -5.710 1.00 1.00 C ATOM 243 CG LYS A 15 5.875 -8.541 -6.710 1.00 1.00 C ATOM 244 CD LYS A 15 6.092 -9.915 -7.351 1.00 1.00 C ATOM 245 CE LYS A 15 6.321 -10.964 -6.260 1.00 1.00 C ATOM 246 NZ LYS A 15 6.036 -12.320 -6.809 1.00 1.00 N ATOM 0 H LYS A 15 7.494 -6.568 -7.487 1.00 1.00 H new ATOM 0 HA LYS A 15 6.121 -6.451 -4.932 1.00 1.00 H new ATOM 0 HB2 LYS A 15 7.955 -8.587 -6.117 1.00 1.00 H new ATOM 0 HB3 LYS A 15 6.833 -8.813 -4.790 1.00 1.00 H new ATOM 0 HG2 LYS A 15 4.910 -8.513 -6.204 1.00 1.00 H new ATOM 0 HG3 LYS A 15 5.854 -7.769 -7.479 1.00 1.00 H new ATOM 0 HD2 LYS A 15 5.225 -10.187 -7.954 1.00 1.00 H new ATOM 0 HD3 LYS A 15 6.950 -9.882 -8.023 1.00 1.00 H new ATOM 0 HE2 LYS A 15 7.349 -10.913 -5.902 1.00 1.00 H new ATOM 0 HE3 LYS A 15 5.675 -10.763 -5.405 1.00 1.00 H new ATOM 0 HZ1 LYS A 15 6.191 -13.034 -6.069 1.00 1.00 H new ATOM 0 HZ2 LYS A 15 5.048 -12.364 -7.130 1.00 1.00 H new ATOM 0 HZ3 LYS A 15 6.670 -12.510 -7.611 1.00 1.00 H new ATOM 260 N LYS A 16 9.362 -6.123 -5.045 1.00 1.00 N ATOM 261 CA LYS A 16 10.563 -5.814 -4.216 1.00 1.00 C ATOM 262 C LYS A 16 10.891 -4.325 -4.352 1.00 1.00 C ATOM 263 O LYS A 16 11.889 -3.949 -4.934 1.00 1.00 O ATOM 264 CB LYS A 16 11.751 -6.646 -4.709 1.00 1.00 C ATOM 265 CG LYS A 16 11.814 -6.603 -6.239 1.00 1.00 C ATOM 266 CD LYS A 16 12.880 -7.582 -6.731 1.00 1.00 C ATOM 267 CE LYS A 16 13.223 -7.278 -8.192 1.00 1.00 C ATOM 268 NZ LYS A 16 14.363 -8.136 -8.622 1.00 1.00 N ATOM 0 H LYS A 16 9.505 -6.047 -6.052 1.00 1.00 H new ATOM 0 HA LYS A 16 10.363 -6.054 -3.172 1.00 1.00 H new ATOM 0 HB2 LYS A 16 12.678 -6.259 -4.287 1.00 1.00 H new ATOM 0 HB3 LYS A 16 11.651 -7.677 -4.369 1.00 1.00 H new ATOM 0 HG2 LYS A 16 10.843 -6.863 -6.661 1.00 1.00 H new ATOM 0 HG3 LYS A 16 12.048 -5.593 -6.576 1.00 1.00 H new ATOM 0 HD2 LYS A 16 13.774 -7.502 -6.113 1.00 1.00 H new ATOM 0 HD3 LYS A 16 12.518 -8.606 -6.637 1.00 1.00 H new ATOM 0 HE2 LYS A 16 12.356 -7.462 -8.826 1.00 1.00 H new ATOM 0 HE3 LYS A 16 13.483 -6.225 -8.305 1.00 1.00 H new ATOM 0 HZ1 LYS A 16 14.597 -7.931 -9.614 1.00 1.00 H new ATOM 0 HZ2 LYS A 16 15.190 -7.940 -8.023 1.00 1.00 H new ATOM 0 HZ3 LYS A 16 14.098 -9.137 -8.529 1.00 1.00 H new ATOM 282 N VAL A 17 10.054 -3.476 -3.824 1.00 1.00 N ATOM 283 CA VAL A 17 10.310 -2.011 -3.932 1.00 1.00 C ATOM 284 C VAL A 17 11.713 -1.690 -3.456 1.00 1.00 C ATOM 285 O VAL A 17 12.389 -2.506 -2.862 1.00 1.00 O ATOM 286 CB VAL A 17 9.324 -1.245 -3.058 1.00 1.00 C ATOM 287 CG1 VAL A 17 7.909 -1.479 -3.565 1.00 1.00 C ATOM 288 CG2 VAL A 17 9.445 -1.729 -1.611 1.00 1.00 C ATOM 0 H VAL A 17 9.204 -3.732 -3.322 1.00 1.00 H new ATOM 0 HA VAL A 17 10.194 -1.719 -4.976 1.00 1.00 H new ATOM 0 HB VAL A 17 9.548 -0.179 -3.100 1.00 1.00 H new ATOM 0 HG11 VAL A 17 7.203 -0.931 -2.940 1.00 1.00 H new ATOM 0 HG12 VAL A 17 7.829 -1.130 -4.594 1.00 1.00 H new ATOM 0 HG13 VAL A 17 7.679 -2.544 -3.524 1.00 1.00 H new ATOM 0 HG21 VAL A 17 8.740 -1.182 -0.984 1.00 1.00 H new ATOM 0 HG22 VAL A 17 9.221 -2.795 -1.564 1.00 1.00 H new ATOM 0 HG23 VAL A 17 10.460 -1.555 -1.253 1.00 1.00 H new ATOM 298 N LYS A 18 12.144 -0.488 -3.698 1.00 1.00 N ATOM 299 CA LYS A 18 13.494 -0.080 -3.244 1.00 1.00 C ATOM 300 C LYS A 18 13.344 0.640 -1.910 1.00 1.00 C ATOM 301 O LYS A 18 13.586 1.822 -1.800 1.00 1.00 O ATOM 302 CB LYS A 18 14.129 0.855 -4.276 1.00 1.00 C ATOM 303 CG LYS A 18 13.077 1.844 -4.786 1.00 1.00 C ATOM 304 CD LYS A 18 13.727 2.848 -5.746 1.00 1.00 C ATOM 305 CE LYS A 18 13.833 2.236 -7.146 1.00 1.00 C ATOM 306 NZ LYS A 18 14.341 3.262 -8.099 1.00 1.00 N ATOM 0 H LYS A 18 11.616 0.231 -4.193 1.00 1.00 H new ATOM 0 HA LYS A 18 14.137 -0.953 -3.131 1.00 1.00 H new ATOM 0 HB2 LYS A 18 14.964 1.394 -3.828 1.00 1.00 H new ATOM 0 HB3 LYS A 18 14.532 0.276 -5.107 1.00 1.00 H new ATOM 0 HG2 LYS A 18 12.277 1.307 -5.295 1.00 1.00 H new ATOM 0 HG3 LYS A 18 12.624 2.371 -3.947 1.00 1.00 H new ATOM 0 HD2 LYS A 18 13.137 3.763 -5.783 1.00 1.00 H new ATOM 0 HD3 LYS A 18 14.718 3.122 -5.383 1.00 1.00 H new ATOM 0 HE2 LYS A 18 14.503 1.376 -7.129 1.00 1.00 H new ATOM 0 HE3 LYS A 18 12.858 1.874 -7.471 1.00 1.00 H new ATOM 0 HZ1 LYS A 18 14.413 2.847 -9.050 1.00 1.00 H new ATOM 0 HZ2 LYS A 18 13.685 4.069 -8.122 1.00 1.00 H new ATOM 0 HZ3 LYS A 18 15.280 3.587 -7.791 1.00 1.00 H new ATOM 320 N CYS A 19 12.918 -0.073 -0.904 1.00 1.00 N ATOM 321 CA CYS A 19 12.711 0.535 0.443 1.00 1.00 C ATOM 322 C CYS A 19 13.683 1.700 0.684 1.00 1.00 C ATOM 323 O CYS A 19 13.311 2.732 1.212 1.00 1.00 O ATOM 324 CB CYS A 19 12.943 -0.536 1.508 1.00 1.00 C ATOM 325 SG CYS A 19 11.520 -1.649 1.558 1.00 1.00 S ATOM 0 H CYS A 19 12.701 -1.068 -0.959 1.00 1.00 H new ATOM 0 HA CYS A 19 11.693 0.921 0.497 1.00 1.00 H new ATOM 0 HB2 CYS A 19 13.850 -1.097 1.284 1.00 1.00 H new ATOM 0 HB3 CYS A 19 13.089 -0.070 2.483 1.00 1.00 H new ATOM 330 N ASP A 20 14.924 1.540 0.309 1.00 1.00 N ATOM 331 CA ASP A 20 15.919 2.630 0.528 1.00 1.00 C ATOM 332 C ASP A 20 15.332 3.961 0.064 1.00 1.00 C ATOM 333 O ASP A 20 15.476 4.979 0.713 1.00 1.00 O ATOM 334 CB ASP A 20 17.193 2.324 -0.265 1.00 1.00 C ATOM 335 CG ASP A 20 18.145 3.519 -0.188 1.00 1.00 C ATOM 336 OD1 ASP A 20 17.899 4.396 0.625 1.00 1.00 O ATOM 337 OD2 ASP A 20 19.103 3.538 -0.942 1.00 1.00 O ATOM 0 H ASP A 20 15.292 0.701 -0.140 1.00 1.00 H new ATOM 0 HA ASP A 20 16.159 2.694 1.589 1.00 1.00 H new ATOM 0 HB2 ASP A 20 17.678 1.434 0.136 1.00 1.00 H new ATOM 0 HB3 ASP A 20 16.944 2.111 -1.305 1.00 1.00 H new ATOM 342 N VAL A 21 14.658 3.955 -1.050 1.00 1.00 N ATOM 343 CA VAL A 21 14.041 5.206 -1.566 1.00 1.00 C ATOM 344 C VAL A 21 12.540 5.177 -1.268 1.00 1.00 C ATOM 345 O VAL A 21 11.933 6.191 -0.990 1.00 1.00 O ATOM 346 CB VAL A 21 14.269 5.293 -3.076 1.00 1.00 C ATOM 347 CG1 VAL A 21 14.239 6.757 -3.525 1.00 1.00 C ATOM 348 CG2 VAL A 21 15.631 4.684 -3.419 1.00 1.00 C ATOM 0 H VAL A 21 14.507 3.130 -1.630 1.00 1.00 H new ATOM 0 HA VAL A 21 14.491 6.074 -1.085 1.00 1.00 H new ATOM 0 HB VAL A 21 13.480 4.745 -3.590 1.00 1.00 H new ATOM 0 HG11 VAL A 21 14.402 6.811 -4.601 1.00 1.00 H new ATOM 0 HG12 VAL A 21 13.269 7.192 -3.283 1.00 1.00 H new ATOM 0 HG13 VAL A 21 15.024 7.311 -3.011 1.00 1.00 H new ATOM 0 HG21 VAL A 21 15.796 4.745 -4.495 1.00 1.00 H new ATOM 0 HG22 VAL A 21 16.416 5.233 -2.900 1.00 1.00 H new ATOM 0 HG23 VAL A 21 15.652 3.640 -3.107 1.00 1.00 H new ATOM 358 N GLU A 22 11.941 4.014 -1.303 1.00 1.00 N ATOM 359 CA GLU A 22 10.484 3.920 -1.005 1.00 1.00 C ATOM 360 C GLU A 22 10.231 4.541 0.371 1.00 1.00 C ATOM 361 O GLU A 22 9.106 4.711 0.796 1.00 1.00 O ATOM 362 CB GLU A 22 10.053 2.444 -1.005 1.00 1.00 C ATOM 363 CG GLU A 22 8.807 2.265 -1.880 1.00 1.00 C ATOM 364 CD GLU A 22 9.197 2.388 -3.354 1.00 1.00 C ATOM 365 OE1 GLU A 22 10.316 2.029 -3.684 1.00 1.00 O ATOM 366 OE2 GLU A 22 8.369 2.838 -4.130 1.00 1.00 O ATOM 0 H GLU A 22 12.398 3.129 -1.524 1.00 1.00 H new ATOM 0 HA GLU A 22 9.908 4.452 -1.762 1.00 1.00 H new ATOM 0 HB2 GLU A 22 10.864 1.819 -1.379 1.00 1.00 H new ATOM 0 HB3 GLU A 22 9.843 2.117 0.013 1.00 1.00 H new ATOM 0 HG2 GLU A 22 8.355 1.291 -1.693 1.00 1.00 H new ATOM 0 HG3 GLU A 22 8.060 3.017 -1.626 1.00 1.00 H new ATOM 373 N MET A 23 11.286 4.885 1.061 1.00 1.00 N ATOM 374 CA MET A 23 11.148 5.506 2.412 1.00 1.00 C ATOM 375 C MET A 23 11.973 6.793 2.460 1.00 1.00 C ATOM 376 O MET A 23 11.508 7.824 2.905 1.00 1.00 O ATOM 377 CB MET A 23 11.676 4.541 3.478 1.00 1.00 C ATOM 378 CG MET A 23 10.724 3.350 3.632 1.00 1.00 C ATOM 379 SD MET A 23 10.895 2.662 5.298 1.00 1.00 S ATOM 380 CE MET A 23 10.171 4.050 6.210 1.00 1.00 C ATOM 0 H MET A 23 12.247 4.761 0.743 1.00 1.00 H new ATOM 0 HA MET A 23 10.098 5.726 2.603 1.00 1.00 H new ATOM 0 HB2 MET A 23 12.669 4.188 3.200 1.00 1.00 H new ATOM 0 HB3 MET A 23 11.777 5.060 4.431 1.00 1.00 H new ATOM 0 HG2 MET A 23 9.695 3.667 3.460 1.00 1.00 H new ATOM 0 HG3 MET A 23 10.952 2.588 2.886 1.00 1.00 H new ATOM 0 HE1 MET A 23 10.933 4.507 6.841 1.00 1.00 H new ATOM 0 HE2 MET A 23 9.791 4.790 5.505 1.00 1.00 H new ATOM 0 HE3 MET A 23 9.353 3.689 6.833 1.00 1.00 H new ATOM 390 N ALA A 24 13.196 6.742 2.006 1.00 1.00 N ATOM 391 CA ALA A 24 14.049 7.962 2.028 1.00 1.00 C ATOM 392 C ALA A 24 13.487 8.989 1.045 1.00 1.00 C ATOM 393 O ALA A 24 14.065 10.034 0.826 1.00 1.00 O ATOM 394 CB ALA A 24 15.479 7.592 1.630 1.00 1.00 C ATOM 0 H ALA A 24 13.640 5.908 1.621 1.00 1.00 H new ATOM 0 HA ALA A 24 14.055 8.388 3.031 1.00 1.00 H new ATOM 0 HB1 ALA A 24 16.104 8.485 1.646 1.00 1.00 H new ATOM 0 HB2 ALA A 24 15.875 6.860 2.334 1.00 1.00 H new ATOM 0 HB3 ALA A 24 15.479 7.167 0.626 1.00 1.00 H new ATOM 400 N LYS A 25 12.362 8.695 0.451 1.00 1.00 N ATOM 401 CA LYS A 25 11.753 9.650 -0.519 1.00 1.00 C ATOM 402 C LYS A 25 11.666 11.037 0.122 1.00 1.00 C ATOM 403 O LYS A 25 12.177 11.273 1.199 1.00 1.00 O ATOM 404 CB LYS A 25 10.336 9.180 -0.878 1.00 1.00 C ATOM 405 CG LYS A 25 10.364 8.304 -2.142 1.00 1.00 C ATOM 406 CD LYS A 25 9.422 7.114 -1.963 1.00 1.00 C ATOM 407 CE LYS A 25 7.973 7.602 -1.977 1.00 1.00 C ATOM 408 NZ LYS A 25 7.665 8.200 -3.308 1.00 1.00 N ATOM 0 H LYS A 25 11.837 7.832 0.596 1.00 1.00 H new ATOM 0 HA LYS A 25 12.368 9.693 -1.418 1.00 1.00 H new ATOM 0 HB2 LYS A 25 9.912 8.616 -0.047 1.00 1.00 H new ATOM 0 HB3 LYS A 25 9.690 10.043 -1.041 1.00 1.00 H new ATOM 0 HG2 LYS A 25 10.064 8.891 -3.010 1.00 1.00 H new ATOM 0 HG3 LYS A 25 11.378 7.952 -2.330 1.00 1.00 H new ATOM 0 HD2 LYS A 25 9.580 6.389 -2.761 1.00 1.00 H new ATOM 0 HD3 LYS A 25 9.636 6.605 -1.023 1.00 1.00 H new ATOM 0 HE2 LYS A 25 7.296 6.772 -1.773 1.00 1.00 H new ATOM 0 HE3 LYS A 25 7.818 8.340 -1.190 1.00 1.00 H new ATOM 0 HZ1 LYS A 25 6.637 8.190 -3.464 1.00 1.00 H new ATOM 0 HZ2 LYS A 25 8.010 9.181 -3.336 1.00 1.00 H new ATOM 0 HZ3 LYS A 25 8.133 7.647 -4.054 1.00 1.00 H new ATOM 422 N ALA A 26 11.005 11.954 -0.531 1.00 1.00 N ATOM 423 CA ALA A 26 10.865 13.324 0.033 1.00 1.00 C ATOM 424 C ALA A 26 9.501 13.455 0.712 1.00 1.00 C ATOM 425 O ALA A 26 9.245 14.403 1.427 1.00 1.00 O ATOM 426 CB ALA A 26 10.970 14.350 -1.095 1.00 1.00 C ATOM 0 H ALA A 26 10.554 11.811 -1.435 1.00 1.00 H new ATOM 0 HA ALA A 26 11.655 13.501 0.762 1.00 1.00 H new ATOM 0 HB1 ALA A 26 10.868 15.354 -0.684 1.00 1.00 H new ATOM 0 HB2 ALA A 26 11.939 14.255 -1.584 1.00 1.00 H new ATOM 0 HB3 ALA A 26 10.178 14.173 -1.823 1.00 1.00 H new ATOM 432 N LEU A 27 8.619 12.511 0.494 1.00 1.00 N ATOM 433 CA LEU A 27 7.270 12.592 1.133 1.00 1.00 C ATOM 434 C LEU A 27 7.241 11.713 2.384 1.00 1.00 C ATOM 435 O LEU A 27 6.239 11.621 3.065 1.00 1.00 O ATOM 436 CB LEU A 27 6.197 12.125 0.141 1.00 1.00 C ATOM 437 CG LEU A 27 6.511 10.702 -0.357 1.00 1.00 C ATOM 438 CD1 LEU A 27 5.674 9.678 0.419 1.00 1.00 C ATOM 439 CD2 LEU A 27 6.173 10.596 -1.849 1.00 1.00 C ATOM 0 H LEU A 27 8.774 11.693 -0.095 1.00 1.00 H new ATOM 0 HA LEU A 27 7.066 13.625 1.416 1.00 1.00 H new ATOM 0 HB2 LEU A 27 5.218 12.142 0.620 1.00 1.00 H new ATOM 0 HB3 LEU A 27 6.151 12.811 -0.705 1.00 1.00 H new ATOM 0 HG LEU A 27 7.570 10.498 -0.200 1.00 1.00 H new ATOM 0 HD11 LEU A 27 5.903 8.674 0.060 1.00 1.00 H new ATOM 0 HD12 LEU A 27 5.909 9.746 1.481 1.00 1.00 H new ATOM 0 HD13 LEU A 27 4.614 9.885 0.268 1.00 1.00 H new ATOM 0 HD21 LEU A 27 6.395 9.589 -2.202 1.00 1.00 H new ATOM 0 HD22 LEU A 27 5.114 10.807 -1.998 1.00 1.00 H new ATOM 0 HD23 LEU A 27 6.769 11.316 -2.409 1.00 1.00 H new ATOM 451 N PHE A 28 8.339 11.074 2.698 1.00 1.00 N ATOM 452 CA PHE A 28 8.389 10.206 3.915 1.00 1.00 C ATOM 453 C PHE A 28 9.491 10.718 4.850 1.00 1.00 C ATOM 454 O PHE A 28 9.354 10.694 6.056 1.00 1.00 O ATOM 455 CB PHE A 28 8.695 8.756 3.508 1.00 1.00 C ATOM 456 CG PHE A 28 7.410 8.011 3.215 1.00 1.00 C ATOM 457 CD1 PHE A 28 6.428 7.881 4.208 1.00 1.00 C ATOM 458 CD2 PHE A 28 7.203 7.442 1.952 1.00 1.00 C ATOM 459 CE1 PHE A 28 5.244 7.184 3.937 1.00 1.00 C ATOM 460 CE2 PHE A 28 6.018 6.746 1.682 1.00 1.00 C ATOM 461 CZ PHE A 28 5.039 6.618 2.674 1.00 1.00 C ATOM 0 H PHE A 28 9.206 11.116 2.163 1.00 1.00 H new ATOM 0 HA PHE A 28 7.426 10.238 4.425 1.00 1.00 H new ATOM 0 HB2 PHE A 28 9.338 8.746 2.628 1.00 1.00 H new ATOM 0 HB3 PHE A 28 9.240 8.254 4.307 1.00 1.00 H new ATOM 0 HD1 PHE A 28 6.585 8.319 5.183 1.00 1.00 H new ATOM 0 HD2 PHE A 28 7.958 7.540 1.186 1.00 1.00 H new ATOM 0 HE1 PHE A 28 4.489 7.083 4.703 1.00 1.00 H new ATOM 0 HE2 PHE A 28 5.860 6.308 0.708 1.00 1.00 H new ATOM 0 HZ PHE A 28 4.125 6.082 2.464 1.00 1.00 H new ATOM 471 N ASP A 29 10.580 11.183 4.299 1.00 1.00 N ATOM 472 CA ASP A 29 11.694 11.704 5.146 1.00 1.00 C ATOM 473 C ASP A 29 12.414 10.543 5.843 1.00 1.00 C ATOM 474 O ASP A 29 12.767 10.628 7.003 1.00 1.00 O ATOM 475 CB ASP A 29 11.136 12.671 6.198 1.00 1.00 C ATOM 476 CG ASP A 29 9.944 13.430 5.614 1.00 1.00 C ATOM 477 OD1 ASP A 29 9.885 13.558 4.403 1.00 1.00 O ATOM 478 OD2 ASP A 29 9.110 13.870 6.388 1.00 1.00 O ATOM 0 H ASP A 29 10.747 11.225 3.294 1.00 1.00 H new ATOM 0 HA ASP A 29 12.405 12.232 4.510 1.00 1.00 H new ATOM 0 HB2 ASP A 29 10.829 12.120 7.087 1.00 1.00 H new ATOM 0 HB3 ASP A 29 11.910 13.373 6.509 1.00 1.00 H new ATOM 483 N CYS A 30 12.644 9.465 5.144 1.00 1.00 N ATOM 484 CA CYS A 30 13.354 8.308 5.767 1.00 1.00 C ATOM 485 C CYS A 30 12.731 7.988 7.129 1.00 1.00 C ATOM 486 O CYS A 30 13.347 8.167 8.161 1.00 1.00 O ATOM 487 CB CYS A 30 14.830 8.667 5.953 1.00 1.00 C ATOM 488 SG CYS A 30 15.712 7.262 6.678 1.00 1.00 S ATOM 0 H CYS A 30 12.372 9.334 4.170 1.00 1.00 H new ATOM 0 HA CYS A 30 13.264 7.436 5.120 1.00 1.00 H new ATOM 0 HB2 CYS A 30 15.274 8.931 4.993 1.00 1.00 H new ATOM 0 HB3 CYS A 30 14.923 9.540 6.599 1.00 1.00 H new ATOM 493 N LYS A 31 11.514 7.516 7.143 1.00 1.00 N ATOM 494 CA LYS A 31 10.853 7.188 8.440 1.00 1.00 C ATOM 495 C LYS A 31 11.543 5.974 9.070 1.00 1.00 C ATOM 496 O LYS A 31 12.755 5.889 9.115 1.00 1.00 O ATOM 497 CB LYS A 31 9.370 6.857 8.203 1.00 1.00 C ATOM 498 CG LYS A 31 8.762 7.806 7.153 1.00 1.00 C ATOM 499 CD LYS A 31 7.930 8.897 7.839 1.00 1.00 C ATOM 500 CE LYS A 31 6.709 8.279 8.534 1.00 1.00 C ATOM 501 NZ LYS A 31 5.540 9.191 8.383 1.00 1.00 N ATOM 0 H LYS A 31 10.948 7.343 6.312 1.00 1.00 H new ATOM 0 HA LYS A 31 10.930 8.047 9.107 1.00 1.00 H new ATOM 0 HB2 LYS A 31 9.272 5.825 7.868 1.00 1.00 H new ATOM 0 HB3 LYS A 31 8.819 6.942 9.140 1.00 1.00 H new ATOM 0 HG2 LYS A 31 9.556 8.262 6.562 1.00 1.00 H new ATOM 0 HG3 LYS A 31 8.135 7.242 6.462 1.00 1.00 H new ATOM 0 HD2 LYS A 31 8.543 9.426 8.569 1.00 1.00 H new ATOM 0 HD3 LYS A 31 7.604 9.632 7.103 1.00 1.00 H new ATOM 0 HE2 LYS A 31 6.483 7.305 8.099 1.00 1.00 H new ATOM 0 HE3 LYS A 31 6.922 8.115 9.590 1.00 1.00 H new ATOM 0 HZ1 LYS A 31 4.711 8.774 8.853 1.00 1.00 H new ATOM 0 HZ2 LYS A 31 5.759 10.110 8.817 1.00 1.00 H new ATOM 0 HZ3 LYS A 31 5.333 9.326 7.373 1.00 1.00 H new ATOM 515 N LYS A 32 10.774 5.031 9.554 1.00 1.00 N ATOM 516 CA LYS A 32 11.369 3.813 10.181 1.00 1.00 C ATOM 517 C LYS A 32 10.639 2.570 9.665 1.00 1.00 C ATOM 518 O LYS A 32 11.212 1.505 9.546 1.00 1.00 O ATOM 519 CB LYS A 32 11.215 3.898 11.702 1.00 1.00 C ATOM 520 CG LYS A 32 9.729 3.922 12.067 1.00 1.00 C ATOM 521 CD LYS A 32 9.575 4.218 13.561 1.00 1.00 C ATOM 522 CE LYS A 32 10.234 3.103 14.379 1.00 1.00 C ATOM 523 NZ LYS A 32 9.651 3.083 15.750 1.00 1.00 N ATOM 0 H LYS A 32 9.754 5.053 9.541 1.00 1.00 H new ATOM 0 HA LYS A 32 12.426 3.749 9.925 1.00 1.00 H new ATOM 0 HB2 LYS A 32 11.702 3.046 12.175 1.00 1.00 H new ATOM 0 HB3 LYS A 32 11.707 4.795 12.078 1.00 1.00 H new ATOM 0 HG2 LYS A 32 9.212 4.681 11.480 1.00 1.00 H new ATOM 0 HG3 LYS A 32 9.269 2.964 11.826 1.00 1.00 H new ATOM 0 HD2 LYS A 32 10.033 5.177 13.801 1.00 1.00 H new ATOM 0 HD3 LYS A 32 8.519 4.296 13.819 1.00 1.00 H new ATOM 0 HE2 LYS A 32 10.079 2.140 13.892 1.00 1.00 H new ATOM 0 HE3 LYS A 32 11.311 3.264 14.432 1.00 1.00 H new ATOM 0 HZ1 LYS A 32 10.098 2.326 16.306 1.00 1.00 H new ATOM 0 HZ2 LYS A 32 9.820 3.999 16.213 1.00 1.00 H new ATOM 0 HZ3 LYS A 32 8.627 2.910 15.689 1.00 1.00 H new ATOM 537 N THR A 33 9.376 2.699 9.355 1.00 1.00 N ATOM 538 CA THR A 33 8.599 1.532 8.842 1.00 1.00 C ATOM 539 C THR A 33 7.655 2.009 7.737 1.00 1.00 C ATOM 540 O THR A 33 7.121 3.098 7.796 1.00 1.00 O ATOM 541 CB THR A 33 7.783 0.919 9.982 1.00 1.00 C ATOM 542 OG1 THR A 33 7.109 -0.239 9.511 1.00 1.00 O ATOM 543 CG2 THR A 33 6.760 1.939 10.486 1.00 1.00 C ATOM 0 H THR A 33 8.846 3.567 9.435 1.00 1.00 H new ATOM 0 HA THR A 33 9.282 0.781 8.445 1.00 1.00 H new ATOM 0 HB THR A 33 8.450 0.644 10.799 1.00 1.00 H new ATOM 0 HG1 THR A 33 6.587 -0.633 10.241 1.00 1.00 H new ATOM 0 HG21 THR A 33 6.179 1.501 11.298 1.00 1.00 H new ATOM 0 HG22 THR A 33 7.279 2.826 10.848 1.00 1.00 H new ATOM 0 HG23 THR A 33 6.092 2.217 9.671 1.00 1.00 H new ATOM 551 N ASN A 34 7.448 1.208 6.726 1.00 1.00 N ATOM 552 CA ASN A 34 6.542 1.628 5.617 1.00 1.00 C ATOM 553 C ASN A 34 5.908 0.398 4.968 1.00 1.00 C ATOM 554 O ASN A 34 6.465 -0.682 4.975 1.00 1.00 O ATOM 555 CB ASN A 34 7.351 2.392 4.563 1.00 1.00 C ATOM 556 CG ASN A 34 7.221 3.902 4.790 1.00 1.00 C ATOM 557 OD1 ASN A 34 6.815 4.339 5.847 1.00 1.00 O ATOM 558 ND2 ASN A 34 7.553 4.724 3.831 1.00 1.00 N ATOM 0 H ASN A 34 7.866 0.283 6.620 1.00 1.00 H new ATOM 0 HA ASN A 34 5.757 2.269 6.019 1.00 1.00 H new ATOM 0 HB2 ASN A 34 8.399 2.098 4.615 1.00 1.00 H new ATOM 0 HB3 ASN A 34 6.997 2.135 3.565 1.00 1.00 H new ATOM 0 HD21 ASN A 34 7.471 5.731 3.971 1.00 1.00 H new ATOM 0 HD22 ASN A 34 7.894 4.359 2.942 1.00 1.00 H new ATOM 565 N THR A 35 4.747 0.565 4.396 1.00 1.00 N ATOM 566 CA THR A 35 4.060 -0.576 3.726 1.00 1.00 C ATOM 567 C THR A 35 3.465 -0.091 2.404 1.00 1.00 C ATOM 568 O THR A 35 3.153 1.073 2.244 1.00 1.00 O ATOM 569 CB THR A 35 2.941 -1.100 4.629 1.00 1.00 C ATOM 570 OG1 THR A 35 3.506 -1.636 5.817 1.00 1.00 O ATOM 571 CG2 THR A 35 2.161 -2.192 3.895 1.00 1.00 C ATOM 0 H THR A 35 4.241 1.450 4.364 1.00 1.00 H new ATOM 0 HA THR A 35 4.774 -1.377 3.537 1.00 1.00 H new ATOM 0 HB THR A 35 2.266 -0.283 4.884 1.00 1.00 H new ATOM 0 HG1 THR A 35 2.791 -1.971 6.397 1.00 1.00 H new ATOM 0 HG21 THR A 35 1.364 -2.565 4.538 1.00 1.00 H new ATOM 0 HG22 THR A 35 1.728 -1.780 2.983 1.00 1.00 H new ATOM 0 HG23 THR A 35 2.834 -3.010 3.639 1.00 1.00 H new ATOM 579 N PHE A 36 3.293 -0.971 1.457 1.00 1.00 N ATOM 580 CA PHE A 36 2.701 -0.556 0.150 1.00 1.00 C ATOM 581 C PHE A 36 1.949 -1.749 -0.437 1.00 1.00 C ATOM 582 O PHE A 36 1.967 -2.823 0.121 1.00 1.00 O ATOM 583 CB PHE A 36 3.797 -0.112 -0.836 1.00 1.00 C ATOM 584 CG PHE A 36 5.043 0.329 -0.099 1.00 1.00 C ATOM 585 CD1 PHE A 36 5.780 -0.597 0.646 1.00 1.00 C ATOM 586 CD2 PHE A 36 5.472 1.659 -0.183 1.00 1.00 C ATOM 587 CE1 PHE A 36 6.945 -0.195 1.308 1.00 1.00 C ATOM 588 CE2 PHE A 36 6.635 2.062 0.482 1.00 1.00 C ATOM 589 CZ PHE A 36 7.372 1.135 1.227 1.00 1.00 C ATOM 0 H PHE A 36 3.536 -1.959 1.529 1.00 1.00 H new ATOM 0 HA PHE A 36 2.028 0.286 0.313 1.00 1.00 H new ATOM 0 HB2 PHE A 36 4.040 -0.934 -1.509 1.00 1.00 H new ATOM 0 HB3 PHE A 36 3.426 0.706 -1.453 1.00 1.00 H new ATOM 0 HD1 PHE A 36 5.450 -1.623 0.710 1.00 1.00 H new ATOM 0 HD2 PHE A 36 4.905 2.374 -0.761 1.00 1.00 H new ATOM 0 HE1 PHE A 36 7.515 -0.911 1.882 1.00 1.00 H new ATOM 0 HE2 PHE A 36 6.964 3.089 0.420 1.00 1.00 H new ATOM 0 HZ PHE A 36 8.270 1.446 1.739 1.00 1.00 H new ATOM 599 N ILE A 37 1.281 -1.572 -1.550 1.00 1.00 N ATOM 600 CA ILE A 37 0.521 -2.700 -2.157 1.00 1.00 C ATOM 601 C ILE A 37 1.005 -2.944 -3.586 1.00 1.00 C ATOM 602 O ILE A 37 1.145 -2.024 -4.377 1.00 1.00 O ATOM 603 CB ILE A 37 -0.971 -2.347 -2.164 1.00 1.00 C ATOM 604 CG1 ILE A 37 -1.440 -2.039 -0.724 1.00 1.00 C ATOM 605 CG2 ILE A 37 -1.770 -3.525 -2.727 1.00 1.00 C ATOM 606 CD1 ILE A 37 -2.489 -0.919 -0.728 1.00 1.00 C ATOM 0 H ILE A 37 1.231 -0.692 -2.063 1.00 1.00 H new ATOM 0 HA ILE A 37 0.681 -3.607 -1.574 1.00 1.00 H new ATOM 0 HB ILE A 37 -1.133 -1.468 -2.788 1.00 1.00 H new ATOM 0 HG12 ILE A 37 -1.861 -2.937 -0.272 1.00 1.00 H new ATOM 0 HG13 ILE A 37 -0.587 -1.744 -0.113 1.00 1.00 H new ATOM 0 HG21 ILE A 37 -2.831 -3.275 -2.733 1.00 1.00 H new ATOM 0 HG22 ILE A 37 -1.441 -3.734 -3.745 1.00 1.00 H new ATOM 0 HG23 ILE A 37 -1.608 -4.405 -2.105 1.00 1.00 H new ATOM 0 HD11 ILE A 37 -2.808 -0.715 0.294 1.00 1.00 H new ATOM 0 HD12 ILE A 37 -2.056 -0.017 -1.160 1.00 1.00 H new ATOM 0 HD13 ILE A 37 -3.349 -1.228 -1.322 1.00 1.00 H new ATOM 618 N TYR A 38 1.266 -4.185 -3.928 1.00 1.00 N ATOM 619 CA TYR A 38 1.735 -4.493 -5.312 1.00 1.00 C ATOM 620 C TYR A 38 0.531 -4.870 -6.177 1.00 1.00 C ATOM 621 O TYR A 38 0.064 -5.992 -6.151 1.00 1.00 O ATOM 622 CB TYR A 38 2.719 -5.665 -5.280 1.00 1.00 C ATOM 623 CG TYR A 38 3.132 -6.014 -6.691 1.00 1.00 C ATOM 624 CD1 TYR A 38 3.819 -5.076 -7.472 1.00 1.00 C ATOM 625 CD2 TYR A 38 2.825 -7.274 -7.221 1.00 1.00 C ATOM 626 CE1 TYR A 38 4.198 -5.398 -8.780 1.00 1.00 C ATOM 627 CE2 TYR A 38 3.205 -7.595 -8.529 1.00 1.00 C ATOM 628 CZ TYR A 38 3.892 -6.658 -9.309 1.00 1.00 C ATOM 629 OH TYR A 38 4.266 -6.975 -10.598 1.00 1.00 O ATOM 0 H TYR A 38 1.174 -4.991 -3.310 1.00 1.00 H new ATOM 0 HA TYR A 38 2.233 -3.617 -5.727 1.00 1.00 H new ATOM 0 HB2 TYR A 38 3.595 -5.402 -4.688 1.00 1.00 H new ATOM 0 HB3 TYR A 38 2.258 -6.528 -4.801 1.00 1.00 H new ATOM 0 HD1 TYR A 38 4.056 -4.104 -7.065 1.00 1.00 H new ATOM 0 HD2 TYR A 38 2.295 -7.998 -6.620 1.00 1.00 H new ATOM 0 HE1 TYR A 38 4.727 -4.674 -9.382 1.00 1.00 H new ATOM 0 HE2 TYR A 38 2.968 -8.567 -8.937 1.00 1.00 H new ATOM 0 HH TYR A 38 3.978 -7.888 -10.807 1.00 1.00 H new ATOM 639 N ALA A 39 0.022 -3.944 -6.944 1.00 1.00 N ATOM 640 CA ALA A 39 -1.154 -4.255 -7.807 1.00 1.00 C ATOM 641 C ALA A 39 -1.212 -3.259 -8.967 1.00 1.00 C ATOM 642 O ALA A 39 -0.705 -2.159 -8.879 1.00 1.00 O ATOM 643 CB ALA A 39 -2.437 -4.152 -6.980 1.00 1.00 C ATOM 0 H ALA A 39 0.369 -2.987 -7.010 1.00 1.00 H new ATOM 0 HA ALA A 39 -1.058 -5.267 -8.201 1.00 1.00 H new ATOM 0 HB1 ALA A 39 -3.296 -4.379 -7.611 1.00 1.00 H new ATOM 0 HB2 ALA A 39 -2.396 -4.862 -6.154 1.00 1.00 H new ATOM 0 HB3 ALA A 39 -2.535 -3.141 -6.585 1.00 1.00 H new ATOM 649 N LEU A 40 -1.829 -3.636 -10.056 1.00 1.00 N ATOM 650 CA LEU A 40 -1.919 -2.711 -11.221 1.00 1.00 C ATOM 651 C LEU A 40 -3.195 -1.859 -11.094 1.00 1.00 C ATOM 652 O LEU A 40 -4.190 -2.301 -10.554 1.00 1.00 O ATOM 653 CB LEU A 40 -1.902 -3.542 -12.521 1.00 1.00 C ATOM 654 CG LEU A 40 -3.323 -3.836 -13.025 1.00 1.00 C ATOM 655 CD1 LEU A 40 -3.749 -2.739 -14.001 1.00 1.00 C ATOM 656 CD2 LEU A 40 -3.336 -5.184 -13.754 1.00 1.00 C ATOM 0 H LEU A 40 -2.274 -4.544 -10.188 1.00 1.00 H new ATOM 0 HA LEU A 40 -1.068 -2.030 -11.245 1.00 1.00 H new ATOM 0 HB2 LEU A 40 -1.347 -3.004 -13.290 1.00 1.00 H new ATOM 0 HB3 LEU A 40 -1.376 -4.481 -12.346 1.00 1.00 H new ATOM 0 HG LEU A 40 -4.010 -3.868 -12.179 1.00 1.00 H new ATOM 0 HD11 LEU A 40 -4.757 -2.944 -14.361 1.00 1.00 H new ATOM 0 HD12 LEU A 40 -3.734 -1.775 -13.493 1.00 1.00 H new ATOM 0 HD13 LEU A 40 -3.060 -2.715 -14.845 1.00 1.00 H new ATOM 0 HD21 LEU A 40 -4.344 -5.394 -14.112 1.00 1.00 H new ATOM 0 HD22 LEU A 40 -2.650 -5.146 -14.601 1.00 1.00 H new ATOM 0 HD23 LEU A 40 -3.023 -5.971 -13.068 1.00 1.00 H new ATOM 668 N PRO A 41 -3.156 -0.637 -11.566 1.00 1.00 N ATOM 669 CA PRO A 41 -4.311 0.298 -11.486 1.00 1.00 C ATOM 670 C PRO A 41 -5.662 -0.398 -11.681 1.00 1.00 C ATOM 671 O PRO A 41 -6.550 -0.295 -10.860 1.00 1.00 O ATOM 672 CB PRO A 41 -4.057 1.279 -12.633 1.00 1.00 C ATOM 673 CG PRO A 41 -2.577 1.257 -12.883 1.00 1.00 C ATOM 674 CD PRO A 41 -2.005 -0.011 -12.229 1.00 1.00 C ATOM 0 HA PRO A 41 -4.375 0.765 -10.503 1.00 1.00 H new ATOM 0 HB2 PRO A 41 -4.607 0.984 -13.527 1.00 1.00 H new ATOM 0 HB3 PRO A 41 -4.392 2.282 -12.369 1.00 1.00 H new ATOM 0 HG2 PRO A 41 -2.371 1.260 -13.953 1.00 1.00 H new ATOM 0 HG3 PRO A 41 -2.106 2.147 -12.465 1.00 1.00 H new ATOM 0 HD2 PRO A 41 -1.565 -0.676 -12.972 1.00 1.00 H new ATOM 0 HD3 PRO A 41 -1.219 0.232 -11.514 1.00 1.00 H new ATOM 682 N GLY A 42 -5.825 -1.096 -12.769 1.00 1.00 N ATOM 683 CA GLY A 42 -7.124 -1.788 -13.025 1.00 1.00 C ATOM 684 C GLY A 42 -7.518 -2.632 -11.811 1.00 1.00 C ATOM 685 O GLY A 42 -8.633 -2.571 -11.339 1.00 1.00 O ATOM 0 H GLY A 42 -5.117 -1.219 -13.493 1.00 1.00 H new ATOM 0 HA2 GLY A 42 -7.901 -1.053 -13.235 1.00 1.00 H new ATOM 0 HA3 GLY A 42 -7.039 -2.423 -13.907 1.00 1.00 H new ATOM 689 N ARG A 43 -6.613 -3.423 -11.306 1.00 1.00 N ATOM 690 CA ARG A 43 -6.930 -4.280 -10.128 1.00 1.00 C ATOM 691 C ARG A 43 -7.231 -3.406 -8.907 1.00 1.00 C ATOM 692 O ARG A 43 -8.015 -3.771 -8.051 1.00 1.00 O ATOM 693 CB ARG A 43 -5.729 -5.179 -9.823 1.00 1.00 C ATOM 694 CG ARG A 43 -6.157 -6.295 -8.867 1.00 1.00 C ATOM 695 CD ARG A 43 -4.991 -7.263 -8.657 1.00 1.00 C ATOM 696 NE ARG A 43 -5.495 -8.518 -8.031 1.00 1.00 N ATOM 697 CZ ARG A 43 -4.783 -9.610 -8.095 1.00 1.00 C ATOM 698 NH1 ARG A 43 -3.629 -9.602 -8.705 1.00 1.00 N ATOM 699 NH2 ARG A 43 -5.225 -10.710 -7.549 1.00 1.00 N ATOM 0 H ARG A 43 -5.661 -3.514 -11.661 1.00 1.00 H new ATOM 0 HA ARG A 43 -7.805 -4.890 -10.353 1.00 1.00 H new ATOM 0 HB2 ARG A 43 -5.337 -5.607 -10.746 1.00 1.00 H new ATOM 0 HB3 ARG A 43 -4.926 -4.592 -9.378 1.00 1.00 H new ATOM 0 HG2 ARG A 43 -6.468 -5.871 -7.912 1.00 1.00 H new ATOM 0 HG3 ARG A 43 -7.017 -6.827 -9.274 1.00 1.00 H new ATOM 0 HD2 ARG A 43 -4.513 -7.486 -9.611 1.00 1.00 H new ATOM 0 HD3 ARG A 43 -4.234 -6.805 -8.021 1.00 1.00 H new ATOM 0 HE ARG A 43 -6.396 -8.524 -7.553 1.00 1.00 H new ATOM 0 HH11 ARG A 43 -3.284 -8.742 -9.132 1.00 1.00 H new ATOM 0 HH12 ARG A 43 -3.073 -10.455 -8.755 1.00 1.00 H new ATOM 0 HH21 ARG A 43 -6.127 -10.716 -7.072 1.00 1.00 H new ATOM 0 HH22 ARG A 43 -4.669 -11.563 -7.599 1.00 1.00 H new ATOM 713 N VAL A 44 -6.612 -2.260 -8.810 1.00 1.00 N ATOM 714 CA VAL A 44 -6.860 -1.379 -7.635 1.00 1.00 C ATOM 715 C VAL A 44 -8.223 -0.701 -7.774 1.00 1.00 C ATOM 716 O VAL A 44 -9.087 -0.844 -6.932 1.00 1.00 O ATOM 717 CB VAL A 44 -5.768 -0.312 -7.557 1.00 1.00 C ATOM 718 CG1 VAL A 44 -5.965 0.528 -6.293 1.00 1.00 C ATOM 719 CG2 VAL A 44 -4.396 -0.991 -7.510 1.00 1.00 C ATOM 0 H VAL A 44 -5.947 -1.897 -9.493 1.00 1.00 H new ATOM 0 HA VAL A 44 -6.848 -1.982 -6.727 1.00 1.00 H new ATOM 0 HB VAL A 44 -5.825 0.333 -8.434 1.00 1.00 H new ATOM 0 HG11 VAL A 44 -5.187 1.289 -6.237 1.00 1.00 H new ATOM 0 HG12 VAL A 44 -6.942 1.010 -6.325 1.00 1.00 H new ATOM 0 HG13 VAL A 44 -5.907 -0.116 -5.415 1.00 1.00 H new ATOM 0 HG21 VAL A 44 -3.616 -0.232 -7.454 1.00 1.00 H new ATOM 0 HG22 VAL A 44 -4.339 -1.635 -6.633 1.00 1.00 H new ATOM 0 HG23 VAL A 44 -4.256 -1.590 -8.410 1.00 1.00 H new ATOM 729 N LYS A 45 -8.428 0.029 -8.834 1.00 1.00 N ATOM 730 CA LYS A 45 -9.741 0.705 -9.023 1.00 1.00 C ATOM 731 C LYS A 45 -10.825 -0.363 -9.158 1.00 1.00 C ATOM 732 O LYS A 45 -11.998 -0.109 -8.964 1.00 1.00 O ATOM 733 CB LYS A 45 -9.701 1.564 -10.289 1.00 1.00 C ATOM 734 CG LYS A 45 -9.573 0.662 -11.520 1.00 1.00 C ATOM 735 CD LYS A 45 -9.109 1.494 -12.719 1.00 1.00 C ATOM 736 CE LYS A 45 -10.045 2.690 -12.907 1.00 1.00 C ATOM 737 NZ LYS A 45 -9.832 3.278 -14.260 1.00 1.00 N ATOM 0 H LYS A 45 -7.746 0.187 -9.576 1.00 1.00 H new ATOM 0 HA LYS A 45 -9.956 1.346 -8.168 1.00 1.00 H new ATOM 0 HB2 LYS A 45 -10.607 2.167 -10.360 1.00 1.00 H new ATOM 0 HB3 LYS A 45 -8.860 2.256 -10.244 1.00 1.00 H new ATOM 0 HG2 LYS A 45 -8.861 -0.140 -11.324 1.00 1.00 H new ATOM 0 HG3 LYS A 45 -10.531 0.191 -11.740 1.00 1.00 H new ATOM 0 HD2 LYS A 45 -8.088 1.840 -12.561 1.00 1.00 H new ATOM 0 HD3 LYS A 45 -9.102 0.880 -13.620 1.00 1.00 H new ATOM 0 HE2 LYS A 45 -11.082 2.375 -12.795 1.00 1.00 H new ATOM 0 HE3 LYS A 45 -9.854 3.439 -12.139 1.00 1.00 H new ATOM 0 HZ1 LYS A 45 -10.468 4.091 -14.389 1.00 1.00 H new ATOM 0 HZ2 LYS A 45 -8.845 3.592 -14.350 1.00 1.00 H new ATOM 0 HZ3 LYS A 45 -10.035 2.561 -14.986 1.00 1.00 H new ATOM 751 N ALA A 46 -10.433 -1.562 -9.490 1.00 1.00 N ATOM 752 CA ALA A 46 -11.420 -2.665 -9.641 1.00 1.00 C ATOM 753 C ALA A 46 -11.931 -3.082 -8.261 1.00 1.00 C ATOM 754 O ALA A 46 -13.104 -3.336 -8.073 1.00 1.00 O ATOM 755 CB ALA A 46 -10.737 -3.857 -10.316 1.00 1.00 C ATOM 0 H ALA A 46 -9.463 -1.826 -9.664 1.00 1.00 H new ATOM 0 HA ALA A 46 -12.259 -2.329 -10.250 1.00 1.00 H new ATOM 0 HB1 ALA A 46 -11.454 -4.670 -10.430 1.00 1.00 H new ATOM 0 HB2 ALA A 46 -10.368 -3.557 -11.297 1.00 1.00 H new ATOM 0 HB3 ALA A 46 -9.902 -4.193 -9.702 1.00 1.00 H new ATOM 761 N LEU A 47 -11.060 -3.158 -7.291 1.00 1.00 N ATOM 762 CA LEU A 47 -11.501 -3.561 -5.927 1.00 1.00 C ATOM 763 C LEU A 47 -12.491 -2.526 -5.381 1.00 1.00 C ATOM 764 O LEU A 47 -13.251 -2.802 -4.475 1.00 1.00 O ATOM 765 CB LEU A 47 -10.283 -3.641 -5.000 1.00 1.00 C ATOM 766 CG LEU A 47 -9.511 -4.941 -5.266 1.00 1.00 C ATOM 767 CD1 LEU A 47 -8.041 -4.753 -4.882 1.00 1.00 C ATOM 768 CD2 LEU A 47 -10.107 -6.079 -4.431 1.00 1.00 C ATOM 0 H LEU A 47 -10.064 -2.959 -7.385 1.00 1.00 H new ATOM 0 HA LEU A 47 -11.986 -4.536 -5.976 1.00 1.00 H new ATOM 0 HB2 LEU A 47 -9.633 -2.781 -5.164 1.00 1.00 H new ATOM 0 HB3 LEU A 47 -10.604 -3.604 -3.959 1.00 1.00 H new ATOM 0 HG LEU A 47 -9.586 -5.189 -6.325 1.00 1.00 H new ATOM 0 HD11 LEU A 47 -7.494 -5.677 -5.071 1.00 1.00 H new ATOM 0 HD12 LEU A 47 -7.610 -3.948 -5.477 1.00 1.00 H new ATOM 0 HD13 LEU A 47 -7.971 -4.500 -3.824 1.00 1.00 H new ATOM 0 HD21 LEU A 47 -9.555 -6.999 -4.624 1.00 1.00 H new ATOM 0 HD22 LEU A 47 -10.037 -5.829 -3.372 1.00 1.00 H new ATOM 0 HD23 LEU A 47 -11.153 -6.220 -4.702 1.00 1.00 H new ATOM 780 N CYS A 48 -12.486 -1.338 -5.928 1.00 1.00 N ATOM 781 CA CYS A 48 -13.425 -0.281 -5.446 1.00 1.00 C ATOM 782 C CYS A 48 -14.500 -0.030 -6.508 1.00 1.00 C ATOM 783 O CYS A 48 -15.058 1.042 -6.594 1.00 1.00 O ATOM 784 CB CYS A 48 -12.644 1.015 -5.188 1.00 1.00 C ATOM 785 SG CYS A 48 -12.036 1.026 -3.484 1.00 1.00 S ATOM 0 H CYS A 48 -11.870 -1.053 -6.690 1.00 1.00 H new ATOM 0 HA CYS A 48 -13.900 -0.609 -4.521 1.00 1.00 H new ATOM 0 HB2 CYS A 48 -11.809 1.093 -5.884 1.00 1.00 H new ATOM 0 HB3 CYS A 48 -13.285 1.879 -5.362 1.00 1.00 H new ATOM 790 N LYS A 49 -14.801 -1.007 -7.317 1.00 1.00 N ATOM 791 CA LYS A 49 -15.839 -0.811 -8.363 1.00 1.00 C ATOM 792 C LYS A 49 -17.218 -1.143 -7.778 1.00 1.00 C ATOM 793 O LYS A 49 -17.416 -2.186 -7.188 1.00 1.00 O ATOM 794 CB LYS A 49 -15.526 -1.735 -9.550 1.00 1.00 C ATOM 795 CG LYS A 49 -16.819 -2.165 -10.242 1.00 1.00 C ATOM 796 CD LYS A 49 -16.499 -2.718 -11.633 1.00 1.00 C ATOM 797 CE LYS A 49 -17.798 -3.126 -12.330 1.00 1.00 C ATOM 798 NZ LYS A 49 -18.605 -1.910 -12.628 1.00 1.00 N ATOM 0 H LYS A 49 -14.372 -1.932 -7.298 1.00 1.00 H new ATOM 0 HA LYS A 49 -15.842 0.224 -8.704 1.00 1.00 H new ATOM 0 HB2 LYS A 49 -14.879 -1.220 -10.260 1.00 1.00 H new ATOM 0 HB3 LYS A 49 -14.982 -2.613 -9.203 1.00 1.00 H new ATOM 0 HG2 LYS A 49 -17.327 -2.923 -9.646 1.00 1.00 H new ATOM 0 HG3 LYS A 49 -17.498 -1.317 -10.325 1.00 1.00 H new ATOM 0 HD2 LYS A 49 -15.977 -1.965 -12.224 1.00 1.00 H new ATOM 0 HD3 LYS A 49 -15.833 -3.577 -11.550 1.00 1.00 H new ATOM 0 HE2 LYS A 49 -17.575 -3.663 -13.252 1.00 1.00 H new ATOM 0 HE3 LYS A 49 -18.366 -3.806 -11.695 1.00 1.00 H new ATOM 0 HZ1 LYS A 49 -19.318 -2.135 -13.351 1.00 1.00 H new ATOM 0 HZ2 LYS A 49 -19.081 -1.588 -11.761 1.00 1.00 H new ATOM 0 HZ3 LYS A 49 -17.980 -1.157 -12.980 1.00 1.00 H new ATOM 812 N ASN A 50 -18.170 -0.261 -7.947 1.00 1.00 N ATOM 813 CA ASN A 50 -19.545 -0.512 -7.416 1.00 1.00 C ATOM 814 C ASN A 50 -19.588 -0.236 -5.909 1.00 1.00 C ATOM 815 O ASN A 50 -20.320 -0.870 -5.176 1.00 1.00 O ATOM 816 CB ASN A 50 -19.947 -1.969 -7.687 1.00 1.00 C ATOM 817 CG ASN A 50 -21.464 -2.060 -7.877 1.00 1.00 C ATOM 818 OD1 ASN A 50 -22.220 -1.677 -7.006 1.00 1.00 O ATOM 819 ND2 ASN A 50 -21.943 -2.554 -8.986 1.00 1.00 N ATOM 0 H ASN A 50 -18.053 0.628 -8.433 1.00 1.00 H new ATOM 0 HA ASN A 50 -20.245 0.156 -7.918 1.00 1.00 H new ATOM 0 HB2 ASN A 50 -19.437 -2.337 -8.577 1.00 1.00 H new ATOM 0 HB3 ASN A 50 -19.636 -2.602 -6.856 1.00 1.00 H new ATOM 0 HD21 ASN A 50 -22.952 -2.619 -9.122 1.00 1.00 H new ATOM 0 HD22 ASN A 50 -21.308 -2.875 -9.717 1.00 1.00 H new ATOM 826 N ILE A 51 -18.816 0.708 -5.441 1.00 1.00 N ATOM 827 CA ILE A 51 -18.823 1.024 -3.985 1.00 1.00 C ATOM 828 C ILE A 51 -19.894 2.078 -3.703 1.00 1.00 C ATOM 829 O ILE A 51 -20.539 2.578 -4.603 1.00 1.00 O ATOM 830 CB ILE A 51 -17.447 1.555 -3.578 1.00 1.00 C ATOM 831 CG1 ILE A 51 -16.394 0.464 -3.807 1.00 1.00 C ATOM 832 CG2 ILE A 51 -17.451 1.962 -2.103 1.00 1.00 C ATOM 833 CD1 ILE A 51 -16.721 -0.780 -2.970 1.00 1.00 C ATOM 0 H ILE A 51 -18.181 1.273 -6.005 1.00 1.00 H new ATOM 0 HA ILE A 51 -19.045 0.125 -3.410 1.00 1.00 H new ATOM 0 HB ILE A 51 -17.209 2.430 -4.183 1.00 1.00 H new ATOM 0 HG12 ILE A 51 -16.359 0.200 -4.864 1.00 1.00 H new ATOM 0 HG13 ILE A 51 -15.407 0.841 -3.540 1.00 1.00 H new ATOM 0 HG21 ILE A 51 -16.466 2.338 -1.827 1.00 1.00 H new ATOM 0 HG22 ILE A 51 -18.195 2.742 -1.943 1.00 1.00 H new ATOM 0 HG23 ILE A 51 -17.695 1.096 -1.487 1.00 1.00 H new ATOM 0 HD11 ILE A 51 -15.964 -1.545 -3.144 1.00 1.00 H new ATOM 0 HD12 ILE A 51 -16.732 -0.515 -1.913 1.00 1.00 H new ATOM 0 HD13 ILE A 51 -17.699 -1.165 -3.258 1.00 1.00 H new ATOM 845 N ARG A 52 -20.094 2.413 -2.456 1.00 1.00 N ATOM 846 CA ARG A 52 -21.131 3.429 -2.102 1.00 1.00 C ATOM 847 C ARG A 52 -20.460 4.719 -1.626 1.00 1.00 C ATOM 848 O ARG A 52 -20.369 5.688 -2.353 1.00 1.00 O ATOM 849 CB ARG A 52 -22.015 2.875 -0.981 1.00 1.00 C ATOM 850 CG ARG A 52 -23.158 3.853 -0.701 1.00 1.00 C ATOM 851 CD ARG A 52 -24.055 3.286 0.402 1.00 1.00 C ATOM 852 NE ARG A 52 -25.287 4.116 0.518 1.00 1.00 N ATOM 853 CZ ARG A 52 -26.272 3.941 -0.319 1.00 1.00 C ATOM 854 NH1 ARG A 52 -26.178 3.041 -1.259 1.00 1.00 N ATOM 855 NH2 ARG A 52 -27.352 4.668 -0.218 1.00 1.00 N ATOM 0 H ARG A 52 -19.582 2.026 -1.663 1.00 1.00 H new ATOM 0 HA ARG A 52 -21.737 3.646 -2.982 1.00 1.00 H new ATOM 0 HB2 ARG A 52 -22.416 1.903 -1.267 1.00 1.00 H new ATOM 0 HB3 ARG A 52 -21.423 2.723 -0.078 1.00 1.00 H new ATOM 0 HG2 ARG A 52 -22.757 4.820 -0.398 1.00 1.00 H new ATOM 0 HG3 ARG A 52 -23.739 4.019 -1.608 1.00 1.00 H new ATOM 0 HD2 ARG A 52 -24.320 2.253 0.175 1.00 1.00 H new ATOM 0 HD3 ARG A 52 -23.520 3.276 1.351 1.00 1.00 H new ATOM 0 HE ARG A 52 -25.360 4.821 1.252 1.00 1.00 H new ATOM 0 HH11 ARG A 52 -25.334 2.474 -1.340 1.00 1.00 H new ATOM 0 HH12 ARG A 52 -26.949 2.905 -1.913 1.00 1.00 H new ATOM 0 HH21 ARG A 52 -27.425 5.373 0.516 1.00 1.00 H new ATOM 0 HH22 ARG A 52 -28.122 4.531 -0.873 1.00 1.00 H new ATOM 869 N ASP A 53 -20.005 4.740 -0.406 1.00 1.00 N ATOM 870 CA ASP A 53 -19.352 5.970 0.134 1.00 1.00 C ATOM 871 C ASP A 53 -18.210 5.585 1.064 1.00 1.00 C ATOM 872 O ASP A 53 -17.573 4.562 0.908 1.00 1.00 O ATOM 873 CB ASP A 53 -20.389 6.791 0.908 1.00 1.00 C ATOM 874 CG ASP A 53 -19.902 8.235 1.045 1.00 1.00 C ATOM 875 OD1 ASP A 53 -18.761 8.492 0.697 1.00 1.00 O ATOM 876 OD2 ASP A 53 -20.679 9.061 1.496 1.00 1.00 O ATOM 0 H ASP A 53 -20.056 3.957 0.245 1.00 1.00 H new ATOM 0 HA ASP A 53 -18.954 6.561 -0.691 1.00 1.00 H new ATOM 0 HB2 ASP A 53 -21.347 6.767 0.389 1.00 1.00 H new ATOM 0 HB3 ASP A 53 -20.550 6.356 1.894 1.00 1.00 H new ATOM 881 N ASN A 54 -17.941 6.416 2.022 1.00 1.00 N ATOM 882 CA ASN A 54 -16.829 6.135 2.971 1.00 1.00 C ATOM 883 C ASN A 54 -17.147 4.876 3.777 1.00 1.00 C ATOM 884 O ASN A 54 -17.946 4.893 4.692 1.00 1.00 O ATOM 885 CB ASN A 54 -16.662 7.320 3.924 1.00 1.00 C ATOM 886 CG ASN A 54 -18.033 7.756 4.442 1.00 1.00 C ATOM 887 OD1 ASN A 54 -18.464 7.323 5.493 1.00 1.00 O ATOM 888 ND2 ASN A 54 -18.743 8.601 3.746 1.00 1.00 N ATOM 0 H ASN A 54 -18.445 7.286 2.193 1.00 1.00 H new ATOM 0 HA ASN A 54 -15.906 5.983 2.411 1.00 1.00 H new ATOM 0 HB2 ASN A 54 -16.018 7.041 4.758 1.00 1.00 H new ATOM 0 HB3 ASN A 54 -16.176 8.149 3.409 1.00 1.00 H new ATOM 0 HD21 ASN A 54 -19.659 8.898 4.084 1.00 1.00 H new ATOM 0 HD22 ASN A 54 -18.382 8.965 2.864 1.00 1.00 H new ATOM 895 N THR A 55 -16.516 3.782 3.442 1.00 1.00 N ATOM 896 CA THR A 55 -16.764 2.512 4.181 1.00 1.00 C ATOM 897 C THR A 55 -15.482 1.677 4.180 1.00 1.00 C ATOM 898 O THR A 55 -14.569 1.929 3.421 1.00 1.00 O ATOM 899 CB THR A 55 -17.891 1.728 3.496 1.00 1.00 C ATOM 900 OG1 THR A 55 -18.800 2.640 2.895 1.00 1.00 O ATOM 901 CG2 THR A 55 -18.630 0.875 4.530 1.00 1.00 C ATOM 0 H THR A 55 -15.836 3.714 2.684 1.00 1.00 H new ATOM 0 HA THR A 55 -17.058 2.734 5.207 1.00 1.00 H new ATOM 0 HB THR A 55 -17.467 1.077 2.732 1.00 1.00 H new ATOM 0 HG1 THR A 55 -19.520 2.142 2.455 1.00 1.00 H new ATOM 0 HG21 THR A 55 -19.430 0.320 4.039 1.00 1.00 H new ATOM 0 HG22 THR A 55 -17.932 0.176 4.990 1.00 1.00 H new ATOM 0 HG23 THR A 55 -19.055 1.521 5.298 1.00 1.00 H new ATOM 909 N ASP A 56 -15.404 0.690 5.030 1.00 1.00 N ATOM 910 CA ASP A 56 -14.177 -0.158 5.088 1.00 1.00 C ATOM 911 C ASP A 56 -14.405 -1.450 4.304 1.00 1.00 C ATOM 912 O ASP A 56 -15.296 -2.220 4.604 1.00 1.00 O ATOM 913 CB ASP A 56 -13.865 -0.500 6.546 1.00 1.00 C ATOM 914 CG ASP A 56 -13.506 0.778 7.305 1.00 1.00 C ATOM 915 OD1 ASP A 56 -14.330 1.678 7.334 1.00 1.00 O ATOM 916 OD2 ASP A 56 -12.413 0.837 7.844 1.00 1.00 O ATOM 0 H ASP A 56 -16.139 0.433 5.689 1.00 1.00 H new ATOM 0 HA ASP A 56 -13.341 0.388 4.651 1.00 1.00 H new ATOM 0 HB2 ASP A 56 -14.726 -0.981 7.010 1.00 1.00 H new ATOM 0 HB3 ASP A 56 -13.039 -1.209 6.595 1.00 1.00 H new ATOM 921 N VAL A 57 -13.602 -1.698 3.303 1.00 1.00 N ATOM 922 CA VAL A 57 -13.764 -2.943 2.498 1.00 1.00 C ATOM 923 C VAL A 57 -12.706 -3.963 2.927 1.00 1.00 C ATOM 924 O VAL A 57 -11.786 -3.647 3.658 1.00 1.00 O ATOM 925 CB VAL A 57 -13.605 -2.616 1.013 1.00 1.00 C ATOM 926 CG1 VAL A 57 -14.576 -1.494 0.641 1.00 1.00 C ATOM 927 CG2 VAL A 57 -12.171 -2.160 0.737 1.00 1.00 C ATOM 0 H VAL A 57 -12.839 -1.089 3.008 1.00 1.00 H new ATOM 0 HA VAL A 57 -14.756 -3.363 2.664 1.00 1.00 H new ATOM 0 HB VAL A 57 -13.821 -3.504 0.418 1.00 1.00 H new ATOM 0 HG11 VAL A 57 -14.468 -1.255 -0.417 1.00 1.00 H new ATOM 0 HG12 VAL A 57 -15.598 -1.817 0.838 1.00 1.00 H new ATOM 0 HG13 VAL A 57 -14.355 -0.609 1.237 1.00 1.00 H new ATOM 0 HG21 VAL A 57 -12.061 -1.928 -0.322 1.00 1.00 H new ATOM 0 HG22 VAL A 57 -11.952 -1.271 1.328 1.00 1.00 H new ATOM 0 HG23 VAL A 57 -11.478 -2.956 1.008 1.00 1.00 H new ATOM 937 N LEU A 58 -12.841 -5.187 2.489 1.00 1.00 N ATOM 938 CA LEU A 58 -11.861 -6.246 2.881 1.00 1.00 C ATOM 939 C LEU A 58 -11.544 -7.125 1.665 1.00 1.00 C ATOM 940 O LEU A 58 -12.436 -7.606 0.995 1.00 1.00 O ATOM 941 CB LEU A 58 -12.499 -7.107 3.989 1.00 1.00 C ATOM 942 CG LEU A 58 -11.462 -7.493 5.051 1.00 1.00 C ATOM 943 CD1 LEU A 58 -10.342 -8.308 4.406 1.00 1.00 C ATOM 944 CD2 LEU A 58 -10.882 -6.231 5.705 1.00 1.00 C ATOM 0 H LEU A 58 -13.591 -5.501 1.874 1.00 1.00 H new ATOM 0 HA LEU A 58 -10.937 -5.793 3.241 1.00 1.00 H new ATOM 0 HB2 LEU A 58 -13.316 -6.557 4.456 1.00 1.00 H new ATOM 0 HB3 LEU A 58 -12.930 -8.008 3.552 1.00 1.00 H new ATOM 0 HG LEU A 58 -11.947 -8.096 5.819 1.00 1.00 H new ATOM 0 HD11 LEU A 58 -9.607 -8.580 5.164 1.00 1.00 H new ATOM 0 HD12 LEU A 58 -10.759 -9.213 3.963 1.00 1.00 H new ATOM 0 HD13 LEU A 58 -9.860 -7.713 3.630 1.00 1.00 H new ATOM 0 HD21 LEU A 58 -10.147 -6.516 6.457 1.00 1.00 H new ATOM 0 HD22 LEU A 58 -10.403 -5.615 4.945 1.00 1.00 H new ATOM 0 HD23 LEU A 58 -11.684 -5.665 6.178 1.00 1.00 H new ATOM 956 N SER A 59 -10.287 -7.347 1.372 1.00 1.00 N ATOM 957 CA SER A 59 -9.956 -8.204 0.196 1.00 1.00 C ATOM 958 C SER A 59 -10.665 -9.553 0.350 1.00 1.00 C ATOM 959 O SER A 59 -10.927 -10.007 1.446 1.00 1.00 O ATOM 960 CB SER A 59 -8.437 -8.399 0.093 1.00 1.00 C ATOM 961 OG SER A 59 -8.155 -9.733 -0.311 1.00 1.00 O ATOM 0 H SER A 59 -9.488 -6.978 1.888 1.00 1.00 H new ATOM 0 HA SER A 59 -10.296 -7.721 -0.720 1.00 1.00 H new ATOM 0 HB2 SER A 59 -8.017 -7.694 -0.625 1.00 1.00 H new ATOM 0 HB3 SER A 59 -7.967 -8.192 1.055 1.00 1.00 H new ATOM 0 HG SER A 59 -7.492 -9.723 -1.032 1.00 1.00 H new ATOM 967 N ARG A 60 -11.002 -10.187 -0.742 1.00 1.00 N ATOM 968 CA ARG A 60 -11.721 -11.492 -0.659 1.00 1.00 C ATOM 969 C ARG A 60 -10.723 -12.644 -0.513 1.00 1.00 C ATOM 970 O ARG A 60 -11.093 -13.800 -0.554 1.00 1.00 O ATOM 971 CB ARG A 60 -12.546 -11.696 -1.931 1.00 1.00 C ATOM 972 CG ARG A 60 -13.778 -10.788 -1.892 1.00 1.00 C ATOM 973 CD ARG A 60 -14.535 -10.900 -3.217 1.00 1.00 C ATOM 974 NE ARG A 60 -13.809 -10.138 -4.271 1.00 1.00 N ATOM 975 CZ ARG A 60 -13.853 -8.834 -4.282 1.00 1.00 C ATOM 976 NH1 ARG A 60 -14.536 -8.197 -3.370 1.00 1.00 N ATOM 977 NH2 ARG A 60 -13.215 -8.166 -5.203 1.00 1.00 N ATOM 0 H ARG A 60 -10.810 -9.857 -1.688 1.00 1.00 H new ATOM 0 HA ARG A 60 -12.375 -11.480 0.213 1.00 1.00 H new ATOM 0 HB2 ARG A 60 -11.942 -11.469 -2.809 1.00 1.00 H new ATOM 0 HB3 ARG A 60 -12.852 -12.739 -2.015 1.00 1.00 H new ATOM 0 HG2 ARG A 60 -14.427 -11.073 -1.064 1.00 1.00 H new ATOM 0 HG3 ARG A 60 -13.477 -9.755 -1.719 1.00 1.00 H new ATOM 0 HD2 ARG A 60 -14.627 -11.946 -3.508 1.00 1.00 H new ATOM 0 HD3 ARG A 60 -15.547 -10.511 -3.104 1.00 1.00 H new ATOM 0 HE ARG A 60 -13.277 -10.636 -4.985 1.00 1.00 H new ATOM 0 HH11 ARG A 60 -15.035 -8.719 -2.649 1.00 1.00 H new ATOM 0 HH12 ARG A 60 -14.571 -7.178 -3.378 1.00 1.00 H new ATOM 0 HH21 ARG A 60 -12.681 -8.663 -5.916 1.00 1.00 H new ATOM 0 HH22 ARG A 60 -13.250 -7.147 -5.210 1.00 1.00 H new ATOM 991 N ASP A 61 -9.465 -12.349 -0.346 1.00 1.00 N ATOM 992 CA ASP A 61 -8.467 -13.446 -0.202 1.00 1.00 C ATOM 993 C ASP A 61 -7.156 -12.885 0.343 1.00 1.00 C ATOM 994 O ASP A 61 -6.962 -12.791 1.538 1.00 1.00 O ATOM 995 CB ASP A 61 -8.223 -14.095 -1.566 1.00 1.00 C ATOM 996 CG ASP A 61 -8.092 -13.007 -2.633 1.00 1.00 C ATOM 997 OD1 ASP A 61 -9.039 -12.256 -2.803 1.00 1.00 O ATOM 998 OD2 ASP A 61 -7.048 -12.942 -3.261 1.00 1.00 O ATOM 0 H ASP A 61 -9.086 -11.403 -0.303 1.00 1.00 H new ATOM 0 HA ASP A 61 -8.850 -14.194 0.492 1.00 1.00 H new ATOM 0 HB2 ASP A 61 -7.317 -14.700 -1.536 1.00 1.00 H new ATOM 0 HB3 ASP A 61 -9.046 -14.765 -1.814 1.00 1.00 H new ATOM 1003 N ALA A 62 -6.249 -12.517 -0.519 1.00 1.00 N ATOM 1004 CA ALA A 62 -4.955 -11.972 -0.029 1.00 1.00 C ATOM 1005 C ALA A 62 -4.318 -11.089 -1.101 1.00 1.00 C ATOM 1006 O ALA A 62 -4.776 -11.020 -2.224 1.00 1.00 O ATOM 1007 CB ALA A 62 -4.012 -13.128 0.308 1.00 1.00 C ATOM 0 H ALA A 62 -6.347 -12.570 -1.533 1.00 1.00 H new ATOM 0 HA ALA A 62 -5.135 -11.373 0.864 1.00 1.00 H new ATOM 0 HB1 ALA A 62 -3.063 -12.730 0.667 1.00 1.00 H new ATOM 0 HB2 ALA A 62 -4.461 -13.750 1.082 1.00 1.00 H new ATOM 0 HB3 ALA A 62 -3.839 -13.729 -0.585 1.00 1.00 H new ATOM 1013 N PHE A 63 -3.256 -10.414 -0.755 1.00 1.00 N ATOM 1014 CA PHE A 63 -2.569 -9.533 -1.738 1.00 1.00 C ATOM 1015 C PHE A 63 -1.092 -9.435 -1.357 1.00 1.00 C ATOM 1016 O PHE A 63 -0.749 -9.320 -0.195 1.00 1.00 O ATOM 1017 CB PHE A 63 -3.205 -8.138 -1.712 1.00 1.00 C ATOM 1018 CG PHE A 63 -4.405 -8.111 -2.630 1.00 1.00 C ATOM 1019 CD1 PHE A 63 -5.652 -8.548 -2.168 1.00 1.00 C ATOM 1020 CD2 PHE A 63 -4.268 -7.649 -3.944 1.00 1.00 C ATOM 1021 CE1 PHE A 63 -6.762 -8.523 -3.020 1.00 1.00 C ATOM 1022 CE2 PHE A 63 -5.378 -7.624 -4.797 1.00 1.00 C ATOM 1023 CZ PHE A 63 -6.625 -8.061 -4.335 1.00 1.00 C ATOM 0 H PHE A 63 -2.833 -10.436 0.173 1.00 1.00 H new ATOM 0 HA PHE A 63 -2.666 -9.947 -2.742 1.00 1.00 H new ATOM 0 HB2 PHE A 63 -3.506 -7.883 -0.696 1.00 1.00 H new ATOM 0 HB3 PHE A 63 -2.477 -7.390 -2.026 1.00 1.00 H new ATOM 0 HD1 PHE A 63 -5.758 -8.904 -1.154 1.00 1.00 H new ATOM 0 HD2 PHE A 63 -3.306 -7.312 -4.300 1.00 1.00 H new ATOM 0 HE1 PHE A 63 -7.724 -8.860 -2.663 1.00 1.00 H new ATOM 0 HE2 PHE A 63 -5.272 -7.268 -5.811 1.00 1.00 H new ATOM 0 HZ PHE A 63 -7.481 -8.042 -4.993 1.00 1.00 H new ATOM 1033 N LEU A 64 -0.217 -9.490 -2.323 1.00 1.00 N ATOM 1034 CA LEU A 64 1.240 -9.412 -2.020 1.00 1.00 C ATOM 1035 C LEU A 64 1.653 -7.950 -1.860 1.00 1.00 C ATOM 1036 O LEU A 64 1.640 -7.186 -2.804 1.00 1.00 O ATOM 1037 CB LEU A 64 2.024 -10.040 -3.179 1.00 1.00 C ATOM 1038 CG LEU A 64 3.428 -10.466 -2.713 1.00 1.00 C ATOM 1039 CD1 LEU A 64 3.890 -11.681 -3.523 1.00 1.00 C ATOM 1040 CD2 LEU A 64 4.416 -9.314 -2.925 1.00 1.00 C ATOM 0 H LEU A 64 -0.449 -9.586 -3.312 1.00 1.00 H new ATOM 0 HA LEU A 64 1.452 -9.948 -1.095 1.00 1.00 H new ATOM 0 HB2 LEU A 64 1.484 -10.905 -3.564 1.00 1.00 H new ATOM 0 HB3 LEU A 64 2.108 -9.326 -3.998 1.00 1.00 H new ATOM 0 HG LEU A 64 3.390 -10.723 -1.654 1.00 1.00 H new ATOM 0 HD11 LEU A 64 4.884 -11.982 -3.192 1.00 1.00 H new ATOM 0 HD12 LEU A 64 3.193 -12.505 -3.373 1.00 1.00 H new ATOM 0 HD13 LEU A 64 3.923 -11.422 -4.581 1.00 1.00 H new ATOM 0 HD21 LEU A 64 5.408 -9.620 -2.594 1.00 1.00 H new ATOM 0 HD22 LEU A 64 4.451 -9.054 -3.983 1.00 1.00 H new ATOM 0 HD23 LEU A 64 4.093 -8.447 -2.349 1.00 1.00 H new ATOM 1052 N LEU A 65 2.018 -7.548 -0.671 1.00 1.00 N ATOM 1053 CA LEU A 65 2.436 -6.131 -0.463 1.00 1.00 C ATOM 1054 C LEU A 65 3.870 -6.086 0.076 1.00 1.00 C ATOM 1055 O LEU A 65 4.207 -6.791 1.007 1.00 1.00 O ATOM 1056 CB LEU A 65 1.517 -5.432 0.552 1.00 1.00 C ATOM 1057 CG LEU A 65 0.512 -6.406 1.156 1.00 1.00 C ATOM 1058 CD1 LEU A 65 0.034 -5.838 2.493 1.00 1.00 C ATOM 1059 CD2 LEU A 65 -0.680 -6.551 0.202 1.00 1.00 C ATOM 0 H LEU A 65 2.045 -8.137 0.161 1.00 1.00 H new ATOM 0 HA LEU A 65 2.373 -5.619 -1.423 1.00 1.00 H new ATOM 0 HB2 LEU A 65 2.119 -4.990 1.346 1.00 1.00 H new ATOM 0 HB3 LEU A 65 0.986 -4.616 0.062 1.00 1.00 H new ATOM 0 HG LEU A 65 0.971 -7.383 1.310 1.00 1.00 H new ATOM 0 HD11 LEU A 65 -0.687 -6.521 2.942 1.00 1.00 H new ATOM 0 HD12 LEU A 65 0.886 -5.718 3.163 1.00 1.00 H new ATOM 0 HD13 LEU A 65 -0.438 -4.869 2.329 1.00 1.00 H new ATOM 0 HD21 LEU A 65 -1.404 -7.246 0.627 1.00 1.00 H new ATOM 0 HD22 LEU A 65 -1.152 -5.579 0.059 1.00 1.00 H new ATOM 0 HD23 LEU A 65 -0.333 -6.931 -0.759 1.00 1.00 H new ATOM 1071 N PRO A 66 4.699 -5.232 -0.468 1.00 1.00 N ATOM 1072 CA PRO A 66 6.096 -5.070 0.014 1.00 1.00 C ATOM 1073 C PRO A 66 6.107 -4.300 1.338 1.00 1.00 C ATOM 1074 O PRO A 66 5.193 -3.555 1.629 1.00 1.00 O ATOM 1075 CB PRO A 66 6.780 -4.267 -1.097 1.00 1.00 C ATOM 1076 CG PRO A 66 5.682 -3.526 -1.791 1.00 1.00 C ATOM 1077 CD PRO A 66 4.400 -4.335 -1.598 1.00 1.00 C ATOM 0 HA PRO A 66 6.598 -6.018 0.205 1.00 1.00 H new ATOM 0 HB2 PRO A 66 7.518 -3.579 -0.686 1.00 1.00 H new ATOM 0 HB3 PRO A 66 7.307 -4.924 -1.788 1.00 1.00 H new ATOM 0 HG2 PRO A 66 5.571 -2.524 -1.376 1.00 1.00 H new ATOM 0 HG3 PRO A 66 5.907 -3.408 -2.851 1.00 1.00 H new ATOM 0 HD2 PRO A 66 3.551 -3.688 -1.378 1.00 1.00 H new ATOM 0 HD3 PRO A 66 4.147 -4.898 -2.496 1.00 1.00 H new ATOM 1085 N GLN A 67 7.107 -4.480 2.158 1.00 1.00 N ATOM 1086 CA GLN A 67 7.123 -3.751 3.460 1.00 1.00 C ATOM 1087 C GLN A 67 8.559 -3.404 3.851 1.00 1.00 C ATOM 1088 O GLN A 67 9.439 -4.241 3.828 1.00 1.00 O ATOM 1089 CB GLN A 67 6.500 -4.631 4.545 1.00 1.00 C ATOM 1090 CG GLN A 67 6.172 -3.775 5.771 1.00 1.00 C ATOM 1091 CD GLN A 67 5.693 -4.677 6.911 1.00 1.00 C ATOM 1092 OE1 GLN A 67 6.316 -5.675 7.212 1.00 1.00 O ATOM 1093 NE2 GLN A 67 4.605 -4.365 7.559 1.00 1.00 N ATOM 0 H GLN A 67 7.905 -5.092 1.987 1.00 1.00 H new ATOM 0 HA GLN A 67 6.549 -2.830 3.358 1.00 1.00 H new ATOM 0 HB2 GLN A 67 5.595 -5.106 4.167 1.00 1.00 H new ATOM 0 HB3 GLN A 67 7.189 -5.430 4.820 1.00 1.00 H new ATOM 0 HG2 GLN A 67 7.053 -3.214 6.083 1.00 1.00 H new ATOM 0 HG3 GLN A 67 5.402 -3.045 5.522 1.00 1.00 H new ATOM 0 HE21 GLN A 67 4.083 -3.526 7.305 1.00 1.00 H new ATOM 0 HE22 GLN A 67 4.276 -4.960 8.320 1.00 1.00 H new ATOM 1102 N CYS A 68 8.798 -2.173 4.221 1.00 1.00 N ATOM 1103 CA CYS A 68 10.175 -1.764 4.626 1.00 1.00 C ATOM 1104 C CYS A 68 10.253 -1.697 6.152 1.00 1.00 C ATOM 1105 O CYS A 68 9.421 -1.089 6.796 1.00 1.00 O ATOM 1106 CB CYS A 68 10.477 -0.388 4.039 1.00 1.00 C ATOM 1107 SG CYS A 68 10.121 -0.405 2.266 1.00 1.00 S ATOM 0 H CYS A 68 8.098 -1.432 4.260 1.00 1.00 H new ATOM 0 HA CYS A 68 10.902 -2.488 4.257 1.00 1.00 H new ATOM 0 HB2 CYS A 68 9.874 0.372 4.536 1.00 1.00 H new ATOM 0 HB3 CYS A 68 11.522 -0.128 4.210 1.00 1.00 H new ATOM 1112 N ASP A 69 11.243 -2.322 6.740 1.00 1.00 N ATOM 1113 CA ASP A 69 11.367 -2.298 8.233 1.00 1.00 C ATOM 1114 C ASP A 69 12.750 -1.776 8.639 1.00 1.00 C ATOM 1115 O ASP A 69 13.766 -2.296 8.223 1.00 1.00 O ATOM 1116 CB ASP A 69 11.181 -3.715 8.777 1.00 1.00 C ATOM 1117 CG ASP A 69 11.258 -3.689 10.305 1.00 1.00 C ATOM 1118 OD1 ASP A 69 10.892 -2.677 10.880 1.00 1.00 O ATOM 1119 OD2 ASP A 69 11.681 -4.682 10.875 1.00 1.00 O ATOM 0 H ASP A 69 11.970 -2.847 6.253 1.00 1.00 H new ATOM 0 HA ASP A 69 10.603 -1.639 8.645 1.00 1.00 H new ATOM 0 HB2 ASP A 69 10.219 -4.115 8.457 1.00 1.00 H new ATOM 0 HB3 ASP A 69 11.950 -4.374 8.375 1.00 1.00 H new ATOM 1124 N ARG A 70 12.791 -0.758 9.460 1.00 1.00 N ATOM 1125 CA ARG A 70 14.105 -0.204 9.906 1.00 1.00 C ATOM 1126 C ARG A 70 14.575 -0.957 11.153 1.00 1.00 C ATOM 1127 O ARG A 70 13.795 -1.587 11.837 1.00 1.00 O ATOM 1128 CB ARG A 70 13.947 1.282 10.241 1.00 1.00 C ATOM 1129 CG ARG A 70 15.316 1.878 10.578 1.00 1.00 C ATOM 1130 CD ARG A 70 15.232 3.407 10.557 1.00 1.00 C ATOM 1131 NE ARG A 70 14.417 3.876 11.713 1.00 1.00 N ATOM 1132 CZ ARG A 70 14.439 5.134 12.058 1.00 1.00 C ATOM 1133 NH1 ARG A 70 15.168 5.983 11.387 1.00 1.00 N ATOM 1134 NH2 ARG A 70 13.730 5.545 13.074 1.00 1.00 N ATOM 0 H ARG A 70 11.971 -0.286 9.841 1.00 1.00 H new ATOM 0 HA ARG A 70 14.838 -0.321 9.108 1.00 1.00 H new ATOM 0 HB2 ARG A 70 13.506 1.811 9.396 1.00 1.00 H new ATOM 0 HB3 ARG A 70 13.267 1.405 11.084 1.00 1.00 H new ATOM 0 HG2 ARG A 70 15.641 1.535 11.560 1.00 1.00 H new ATOM 0 HG3 ARG A 70 16.060 1.535 9.859 1.00 1.00 H new ATOM 0 HD2 ARG A 70 16.232 3.837 10.605 1.00 1.00 H new ATOM 0 HD3 ARG A 70 14.784 3.744 9.622 1.00 1.00 H new ATOM 0 HE ARG A 70 13.842 3.214 12.234 1.00 1.00 H new ATOM 0 HH11 ARG A 70 15.721 5.663 10.592 1.00 1.00 H new ATOM 0 HH12 ARG A 70 15.185 6.966 11.657 1.00 1.00 H new ATOM 0 HH21 ARG A 70 13.159 4.883 13.598 1.00 1.00 H new ATOM 0 HH22 ARG A 70 13.747 6.529 13.343 1.00 1.00 H new ATOM 1148 N ILE A 71 15.845 -0.901 11.452 1.00 1.00 N ATOM 1149 CA ILE A 71 16.352 -1.621 12.656 1.00 1.00 C ATOM 1150 C ILE A 71 17.785 -1.182 12.973 1.00 1.00 C ATOM 1151 O ILE A 71 18.208 -1.208 14.112 1.00 1.00 O ATOM 1152 CB ILE A 71 16.329 -3.127 12.390 1.00 1.00 C ATOM 1153 CG1 ILE A 71 16.701 -3.876 13.671 1.00 1.00 C ATOM 1154 CG2 ILE A 71 17.337 -3.467 11.290 1.00 1.00 C ATOM 1155 CD1 ILE A 71 16.483 -5.376 13.468 1.00 1.00 C ATOM 0 H ILE A 71 16.549 -0.391 10.919 1.00 1.00 H new ATOM 0 HA ILE A 71 15.714 -1.384 13.507 1.00 1.00 H new ATOM 0 HB ILE A 71 15.330 -3.424 12.071 1.00 1.00 H new ATOM 0 HG12 ILE A 71 17.742 -3.681 13.929 1.00 1.00 H new ATOM 0 HG13 ILE A 71 16.094 -3.519 14.503 1.00 1.00 H new ATOM 0 HG21 ILE A 71 17.321 -4.540 11.101 1.00 1.00 H new ATOM 0 HG22 ILE A 71 17.073 -2.933 10.377 1.00 1.00 H new ATOM 0 HG23 ILE A 71 18.336 -3.170 11.608 1.00 1.00 H new ATOM 0 HD11 ILE A 71 16.748 -5.909 14.381 1.00 1.00 H new ATOM 0 HD12 ILE A 71 15.436 -5.563 13.230 1.00 1.00 H new ATOM 0 HD13 ILE A 71 17.109 -5.727 12.648 1.00 1.00 H new ATOM 1167 N LYS A 72 18.542 -0.787 11.982 1.00 1.00 N ATOM 1168 CA LYS A 72 19.949 -0.358 12.242 1.00 1.00 C ATOM 1169 C LYS A 72 20.312 0.813 11.321 1.00 1.00 C ATOM 1170 O LYS A 72 19.557 1.184 10.446 1.00 1.00 O ATOM 1171 CB LYS A 72 20.888 -1.541 11.975 1.00 1.00 C ATOM 1172 CG LYS A 72 22.232 -1.310 12.673 1.00 1.00 C ATOM 1173 CD LYS A 72 23.061 -2.595 12.618 1.00 1.00 C ATOM 1174 CE LYS A 72 24.323 -2.426 13.465 1.00 1.00 C ATOM 1175 NZ LYS A 72 25.194 -3.624 13.302 1.00 1.00 N ATOM 0 H LYS A 72 18.248 -0.743 11.006 1.00 1.00 H new ATOM 0 HA LYS A 72 20.051 -0.036 13.278 1.00 1.00 H new ATOM 0 HB2 LYS A 72 20.435 -2.464 12.336 1.00 1.00 H new ATOM 0 HB3 LYS A 72 21.041 -1.660 10.902 1.00 1.00 H new ATOM 0 HG2 LYS A 72 22.771 -0.496 12.188 1.00 1.00 H new ATOM 0 HG3 LYS A 72 22.070 -1.013 13.709 1.00 1.00 H new ATOM 0 HD2 LYS A 72 22.473 -3.436 12.987 1.00 1.00 H new ATOM 0 HD3 LYS A 72 23.330 -2.822 11.587 1.00 1.00 H new ATOM 0 HE2 LYS A 72 24.861 -1.528 13.161 1.00 1.00 H new ATOM 0 HE3 LYS A 72 24.056 -2.297 14.514 1.00 1.00 H new ATOM 0 HZ1 LYS A 72 26.053 -3.510 13.878 1.00 1.00 H new ATOM 0 HZ2 LYS A 72 24.679 -4.472 13.613 1.00 1.00 H new ATOM 0 HZ3 LYS A 72 25.459 -3.727 12.302 1.00 1.00 H new ATOM 1189 N LEU A 73 21.464 1.403 11.523 1.00 1.00 N ATOM 1190 CA LEU A 73 21.882 2.558 10.674 1.00 1.00 C ATOM 1191 C LEU A 73 20.857 3.694 10.845 1.00 1.00 C ATOM 1192 O LEU A 73 19.857 3.523 11.512 1.00 1.00 O ATOM 1193 CB LEU A 73 21.952 2.109 9.207 1.00 1.00 C ATOM 1194 CG LEU A 73 22.643 0.743 9.117 1.00 1.00 C ATOM 1195 CD1 LEU A 73 22.745 0.318 7.650 1.00 1.00 C ATOM 1196 CD2 LEU A 73 24.050 0.846 9.712 1.00 1.00 C ATOM 0 H LEU A 73 22.134 1.132 12.242 1.00 1.00 H new ATOM 0 HA LEU A 73 22.866 2.917 10.975 1.00 1.00 H new ATOM 0 HB2 LEU A 73 20.948 2.048 8.787 1.00 1.00 H new ATOM 0 HB3 LEU A 73 22.500 2.844 8.617 1.00 1.00 H new ATOM 0 HG LEU A 73 22.063 0.005 9.671 1.00 1.00 H new ATOM 0 HD11 LEU A 73 23.236 -0.653 7.586 1.00 1.00 H new ATOM 0 HD12 LEU A 73 21.745 0.248 7.221 1.00 1.00 H new ATOM 0 HD13 LEU A 73 23.326 1.056 7.097 1.00 1.00 H new ATOM 0 HD21 LEU A 73 24.543 -0.124 9.649 1.00 1.00 H new ATOM 0 HD22 LEU A 73 24.628 1.584 9.155 1.00 1.00 H new ATOM 0 HD23 LEU A 73 23.982 1.152 10.756 1.00 1.00 H new ATOM 1208 N PRO A 74 21.098 4.849 10.265 1.00 1.00 N ATOM 1209 CA PRO A 74 20.181 6.011 10.378 1.00 1.00 C ATOM 1210 C PRO A 74 19.167 6.070 9.237 1.00 1.00 C ATOM 1211 O PRO A 74 18.235 6.849 9.262 1.00 1.00 O ATOM 1212 CB PRO A 74 21.140 7.198 10.315 1.00 1.00 C ATOM 1213 CG PRO A 74 22.290 6.738 9.464 1.00 1.00 C ATOM 1214 CD PRO A 74 22.263 5.199 9.439 1.00 1.00 C ATOM 0 HA PRO A 74 19.573 5.976 11.282 1.00 1.00 H new ATOM 0 HB2 PRO A 74 20.655 8.072 9.881 1.00 1.00 H new ATOM 0 HB3 PRO A 74 21.478 7.483 11.311 1.00 1.00 H new ATOM 0 HG2 PRO A 74 22.204 7.139 8.454 1.00 1.00 H new ATOM 0 HG3 PRO A 74 23.235 7.098 9.870 1.00 1.00 H new ATOM 0 HD2 PRO A 74 22.160 4.818 8.423 1.00 1.00 H new ATOM 0 HD3 PRO A 74 23.182 4.777 9.846 1.00 1.00 H new ATOM 1222 N CYS A 75 19.343 5.260 8.236 1.00 1.00 N ATOM 1223 CA CYS A 75 18.387 5.284 7.099 1.00 1.00 C ATOM 1224 C CYS A 75 18.554 4.012 6.263 1.00 1.00 C ATOM 1225 O CYS A 75 19.109 4.031 5.182 1.00 1.00 O ATOM 1226 CB CYS A 75 18.667 6.521 6.243 1.00 1.00 C ATOM 1227 SG CYS A 75 17.633 7.896 6.808 1.00 1.00 S ATOM 0 H CYS A 75 20.103 4.585 8.155 1.00 1.00 H new ATOM 0 HA CYS A 75 17.363 5.326 7.471 1.00 1.00 H new ATOM 0 HB2 CYS A 75 19.720 6.793 6.312 1.00 1.00 H new ATOM 0 HB3 CYS A 75 18.461 6.305 5.195 1.00 1.00 H new ATOM 1232 N HIS A 76 18.070 2.908 6.761 1.00 1.00 N ATOM 1233 CA HIS A 76 18.183 1.626 6.012 1.00 1.00 C ATOM 1234 C HIS A 76 17.049 0.703 6.458 1.00 1.00 C ATOM 1235 O HIS A 76 16.683 0.680 7.617 1.00 1.00 O ATOM 1236 CB HIS A 76 19.530 0.969 6.320 1.00 1.00 C ATOM 1237 CG HIS A 76 19.659 -0.308 5.537 1.00 1.00 C ATOM 1238 ND1 HIS A 76 19.463 -1.555 6.115 1.00 1.00 N ATOM 1239 CD2 HIS A 76 19.964 -0.550 4.219 1.00 1.00 C ATOM 1240 CE1 HIS A 76 19.652 -2.481 5.156 1.00 1.00 C ATOM 1241 NE2 HIS A 76 19.959 -1.920 3.986 1.00 1.00 N ATOM 0 H HIS A 76 17.597 2.839 7.662 1.00 1.00 H new ATOM 0 HA HIS A 76 18.116 1.811 4.940 1.00 1.00 H new ATOM 0 HB2 HIS A 76 20.344 1.648 6.065 1.00 1.00 H new ATOM 0 HB3 HIS A 76 19.610 0.763 7.387 1.00 1.00 H new ATOM 0 HD2 HIS A 76 20.175 0.208 3.479 1.00 1.00 H new ATOM 0 HE1 HIS A 76 19.566 -3.546 5.315 1.00 1.00 H new ATOM 0 HE2 HIS A 76 20.150 -2.397 3.105 1.00 1.00 H new ATOM 1250 N TYR A 77 16.478 -0.050 5.555 1.00 1.00 N ATOM 1251 CA TYR A 77 15.357 -0.956 5.950 1.00 1.00 C ATOM 1252 C TYR A 77 15.524 -2.322 5.284 1.00 1.00 C ATOM 1253 O TYR A 77 16.330 -2.501 4.392 1.00 1.00 O ATOM 1254 CB TYR A 77 14.023 -0.340 5.512 1.00 1.00 C ATOM 1255 CG TYR A 77 14.146 1.165 5.459 1.00 1.00 C ATOM 1256 CD1 TYR A 77 14.893 1.773 4.441 1.00 1.00 C ATOM 1257 CD2 TYR A 77 13.512 1.955 6.426 1.00 1.00 C ATOM 1258 CE1 TYR A 77 15.005 3.168 4.392 1.00 1.00 C ATOM 1259 CE2 TYR A 77 13.623 3.349 6.376 1.00 1.00 C ATOM 1260 CZ TYR A 77 14.370 3.955 5.359 1.00 1.00 C ATOM 1261 OH TYR A 77 14.478 5.329 5.308 1.00 1.00 O ATOM 0 H TYR A 77 16.736 -0.078 4.569 1.00 1.00 H new ATOM 0 HA TYR A 77 15.369 -1.082 7.033 1.00 1.00 H new ATOM 0 HB2 TYR A 77 13.738 -0.725 4.533 1.00 1.00 H new ATOM 0 HB3 TYR A 77 13.234 -0.625 6.208 1.00 1.00 H new ATOM 0 HD1 TYR A 77 15.382 1.166 3.694 1.00 1.00 H new ATOM 0 HD2 TYR A 77 12.937 1.488 7.211 1.00 1.00 H new ATOM 0 HE1 TYR A 77 15.581 3.636 3.608 1.00 1.00 H new ATOM 0 HE2 TYR A 77 13.133 3.957 7.122 1.00 1.00 H new ATOM 0 HH TYR A 77 15.198 5.623 5.905 1.00 1.00 H new ATOM 1271 N LYS A 78 14.752 -3.286 5.714 1.00 1.00 N ATOM 1272 CA LYS A 78 14.835 -4.649 5.118 1.00 1.00 C ATOM 1273 C LYS A 78 13.599 -4.878 4.248 1.00 1.00 C ATOM 1274 O LYS A 78 12.543 -4.331 4.501 1.00 1.00 O ATOM 1275 CB LYS A 78 14.874 -5.697 6.235 1.00 1.00 C ATOM 1276 CG LYS A 78 16.048 -5.409 7.178 1.00 1.00 C ATOM 1277 CD LYS A 78 17.358 -5.885 6.543 1.00 1.00 C ATOM 1278 CE LYS A 78 18.478 -5.832 7.583 1.00 1.00 C ATOM 1279 NZ LYS A 78 18.645 -4.430 8.064 1.00 1.00 N ATOM 0 H LYS A 78 14.063 -3.185 6.459 1.00 1.00 H new ATOM 0 HA LYS A 78 15.739 -4.736 4.515 1.00 1.00 H new ATOM 0 HB2 LYS A 78 13.937 -5.683 6.792 1.00 1.00 H new ATOM 0 HB3 LYS A 78 14.976 -6.694 5.807 1.00 1.00 H new ATOM 0 HG2 LYS A 78 16.103 -4.341 7.388 1.00 1.00 H new ATOM 0 HG3 LYS A 78 15.892 -5.914 8.131 1.00 1.00 H new ATOM 0 HD2 LYS A 78 17.244 -6.902 6.167 1.00 1.00 H new ATOM 0 HD3 LYS A 78 17.610 -5.256 5.689 1.00 1.00 H new ATOM 0 HE2 LYS A 78 18.243 -6.489 8.420 1.00 1.00 H new ATOM 0 HE3 LYS A 78 19.410 -6.192 7.148 1.00 1.00 H new ATOM 0 HZ1 LYS A 78 19.573 -4.328 8.522 1.00 1.00 H new ATOM 0 HZ2 LYS A 78 18.584 -3.777 7.257 1.00 1.00 H new ATOM 0 HZ3 LYS A 78 17.895 -4.206 8.749 1.00 1.00 H new ATOM 1293 N LEU A 79 13.725 -5.673 3.219 1.00 1.00 N ATOM 1294 CA LEU A 79 12.560 -5.929 2.323 1.00 1.00 C ATOM 1295 C LEU A 79 11.774 -7.141 2.833 1.00 1.00 C ATOM 1296 O LEU A 79 12.313 -8.216 3.007 1.00 1.00 O ATOM 1297 CB LEU A 79 13.070 -6.198 0.899 1.00 1.00 C ATOM 1298 CG LEU A 79 12.125 -5.560 -0.125 1.00 1.00 C ATOM 1299 CD1 LEU A 79 12.689 -5.755 -1.536 1.00 1.00 C ATOM 1300 CD2 LEU A 79 10.747 -6.222 -0.029 1.00 1.00 C ATOM 0 H LEU A 79 14.585 -6.156 2.960 1.00 1.00 H new ATOM 0 HA LEU A 79 11.903 -5.059 2.316 1.00 1.00 H new ATOM 0 HB2 LEU A 79 14.075 -5.792 0.781 1.00 1.00 H new ATOM 0 HB3 LEU A 79 13.137 -7.272 0.725 1.00 1.00 H new ATOM 0 HG LEU A 79 12.032 -4.494 0.083 1.00 1.00 H new ATOM 0 HD11 LEU A 79 12.016 -5.301 -2.263 1.00 1.00 H new ATOM 0 HD12 LEU A 79 13.669 -5.283 -1.605 1.00 1.00 H new ATOM 0 HD13 LEU A 79 12.784 -6.820 -1.746 1.00 1.00 H new ATOM 0 HD21 LEU A 79 10.074 -5.769 -0.757 1.00 1.00 H new ATOM 0 HD22 LEU A 79 10.840 -7.288 -0.236 1.00 1.00 H new ATOM 0 HD23 LEU A 79 10.345 -6.081 0.974 1.00 1.00 H new ATOM 1312 N SER A 80 10.500 -6.974 3.068 1.00 1.00 N ATOM 1313 CA SER A 80 9.669 -8.110 3.561 1.00 1.00 C ATOM 1314 C SER A 80 8.265 -8.000 2.962 1.00 1.00 C ATOM 1315 O SER A 80 7.571 -7.026 3.169 1.00 1.00 O ATOM 1316 CB SER A 80 9.581 -8.053 5.086 1.00 1.00 C ATOM 1317 OG SER A 80 8.487 -8.848 5.524 1.00 1.00 O ATOM 0 H SER A 80 9.997 -6.096 2.939 1.00 1.00 H new ATOM 0 HA SER A 80 10.122 -9.055 3.262 1.00 1.00 H new ATOM 0 HB2 SER A 80 10.509 -8.415 5.529 1.00 1.00 H new ATOM 0 HB3 SER A 80 9.451 -7.022 5.416 1.00 1.00 H new ATOM 0 HG SER A 80 8.429 -8.815 6.502 1.00 1.00 H new ATOM 1323 N SER A 81 7.843 -8.988 2.216 1.00 1.00 N ATOM 1324 CA SER A 81 6.485 -8.936 1.595 1.00 1.00 C ATOM 1325 C SER A 81 5.727 -10.231 1.903 1.00 1.00 C ATOM 1326 O SER A 81 6.316 -11.254 2.192 1.00 1.00 O ATOM 1327 CB SER A 81 6.630 -8.776 0.080 1.00 1.00 C ATOM 1328 OG SER A 81 5.462 -8.154 -0.440 1.00 1.00 O ATOM 0 H SER A 81 8.381 -9.830 2.010 1.00 1.00 H new ATOM 0 HA SER A 81 5.930 -8.090 2.002 1.00 1.00 H new ATOM 0 HB2 SER A 81 7.510 -8.175 -0.151 1.00 1.00 H new ATOM 0 HB3 SER A 81 6.777 -9.750 -0.388 1.00 1.00 H new ATOM 0 HG SER A 81 4.765 -8.140 0.249 1.00 1.00 H new ATOM 1334 N SER A 82 4.423 -10.194 1.837 1.00 1.00 N ATOM 1335 CA SER A 82 3.626 -11.422 2.121 1.00 1.00 C ATOM 1336 C SER A 82 2.226 -11.262 1.539 1.00 1.00 C ATOM 1337 O SER A 82 1.798 -10.172 1.213 1.00 1.00 O ATOM 1338 CB SER A 82 3.535 -11.637 3.632 1.00 1.00 C ATOM 1339 OG SER A 82 2.387 -12.423 3.925 1.00 1.00 O ATOM 0 H SER A 82 3.876 -9.367 1.599 1.00 1.00 H new ATOM 0 HA SER A 82 4.112 -12.285 1.665 1.00 1.00 H new ATOM 0 HB2 SER A 82 4.434 -12.135 3.995 1.00 1.00 H new ATOM 0 HB3 SER A 82 3.474 -10.677 4.145 1.00 1.00 H new ATOM 0 HG SER A 82 2.326 -12.565 4.893 1.00 1.00 H new ATOM 1345 N THR A 83 1.516 -12.346 1.388 1.00 1.00 N ATOM 1346 CA THR A 83 0.158 -12.280 0.808 1.00 1.00 C ATOM 1347 C THR A 83 -0.892 -12.450 1.910 1.00 1.00 C ATOM 1348 O THR A 83 -0.943 -13.460 2.583 1.00 1.00 O ATOM 1349 CB THR A 83 0.036 -13.408 -0.211 1.00 1.00 C ATOM 1350 OG1 THR A 83 1.019 -14.396 0.067 1.00 1.00 O ATOM 1351 CG2 THR A 83 0.258 -12.853 -1.616 1.00 1.00 C ATOM 0 H THR A 83 1.828 -13.282 1.647 1.00 1.00 H new ATOM 0 HA THR A 83 -0.007 -11.315 0.330 1.00 1.00 H new ATOM 0 HB THR A 83 -0.958 -13.850 -0.150 1.00 1.00 H new ATOM 0 HG1 THR A 83 0.944 -15.124 -0.584 1.00 1.00 H new ATOM 0 HG21 THR A 83 0.171 -13.660 -2.344 1.00 1.00 H new ATOM 0 HG22 THR A 83 -0.491 -12.090 -1.828 1.00 1.00 H new ATOM 0 HG23 THR A 83 1.253 -12.413 -1.680 1.00 1.00 H new ATOM 1359 N ASN A 84 -1.732 -11.468 2.093 1.00 1.00 N ATOM 1360 CA ASN A 84 -2.784 -11.574 3.145 1.00 1.00 C ATOM 1361 C ASN A 84 -3.905 -10.579 2.844 1.00 1.00 C ATOM 1362 O ASN A 84 -3.700 -9.591 2.167 1.00 1.00 O ATOM 1363 CB ASN A 84 -2.173 -11.258 4.513 1.00 1.00 C ATOM 1364 CG ASN A 84 -1.364 -9.963 4.424 1.00 1.00 C ATOM 1365 OD1 ASN A 84 -0.155 -9.994 4.315 1.00 1.00 O ATOM 1366 ND2 ASN A 84 -1.987 -8.816 4.465 1.00 1.00 N ATOM 0 H ASN A 84 -1.736 -10.598 1.561 1.00 1.00 H new ATOM 0 HA ASN A 84 -3.189 -12.586 3.155 1.00 1.00 H new ATOM 0 HB2 ASN A 84 -2.960 -11.157 5.260 1.00 1.00 H new ATOM 0 HB3 ASN A 84 -1.532 -12.078 4.835 1.00 1.00 H new ATOM 0 HD21 ASN A 84 -1.458 -7.946 4.405 1.00 1.00 H new ATOM 0 HD22 ASN A 84 -3.003 -8.790 4.557 1.00 1.00 H new ATOM 1373 N THR A 85 -5.092 -10.826 3.338 1.00 1.00 N ATOM 1374 CA THR A 85 -6.214 -9.889 3.075 1.00 1.00 C ATOM 1375 C THR A 85 -5.894 -8.547 3.737 1.00 1.00 C ATOM 1376 O THR A 85 -4.990 -8.447 4.542 1.00 1.00 O ATOM 1377 CB THR A 85 -7.506 -10.475 3.667 1.00 1.00 C ATOM 1378 OG1 THR A 85 -7.272 -11.820 4.058 1.00 1.00 O ATOM 1379 CG2 THR A 85 -8.627 -10.437 2.627 1.00 1.00 C ATOM 0 H THR A 85 -5.328 -11.636 3.911 1.00 1.00 H new ATOM 0 HA THR A 85 -6.348 -9.743 2.003 1.00 1.00 H new ATOM 0 HB THR A 85 -7.804 -9.882 4.532 1.00 1.00 H new ATOM 0 HG1 THR A 85 -7.035 -12.353 3.271 1.00 1.00 H new ATOM 0 HG21 THR A 85 -9.537 -10.855 3.058 1.00 1.00 H new ATOM 0 HG22 THR A 85 -8.808 -9.405 2.325 1.00 1.00 H new ATOM 0 HG23 THR A 85 -8.335 -11.024 1.756 1.00 1.00 H new ATOM 1387 N ILE A 86 -6.610 -7.512 3.398 1.00 1.00 N ATOM 1388 CA ILE A 86 -6.322 -6.185 4.007 1.00 1.00 C ATOM 1389 C ILE A 86 -7.619 -5.384 4.129 1.00 1.00 C ATOM 1390 O ILE A 86 -8.581 -5.629 3.428 1.00 1.00 O ATOM 1391 CB ILE A 86 -5.295 -5.428 3.130 1.00 1.00 C ATOM 1392 CG1 ILE A 86 -5.988 -4.388 2.234 1.00 1.00 C ATOM 1393 CG2 ILE A 86 -4.546 -6.419 2.236 1.00 1.00 C ATOM 1394 CD1 ILE A 86 -7.009 -5.068 1.312 1.00 1.00 C ATOM 0 H ILE A 86 -7.379 -7.527 2.728 1.00 1.00 H new ATOM 0 HA ILE A 86 -5.901 -6.320 5.003 1.00 1.00 H new ATOM 0 HB ILE A 86 -4.601 -4.917 3.797 1.00 1.00 H new ATOM 0 HG12 ILE A 86 -6.488 -3.642 2.852 1.00 1.00 H new ATOM 0 HG13 ILE A 86 -5.244 -3.861 1.637 1.00 1.00 H new ATOM 0 HG21 ILE A 86 -3.825 -5.881 1.621 1.00 1.00 H new ATOM 0 HG22 ILE A 86 -4.023 -7.146 2.857 1.00 1.00 H new ATOM 0 HG23 ILE A 86 -5.257 -6.937 1.592 1.00 1.00 H new ATOM 0 HD11 ILE A 86 -7.490 -4.317 0.685 1.00 1.00 H new ATOM 0 HD12 ILE A 86 -6.500 -5.796 0.680 1.00 1.00 H new ATOM 0 HD13 ILE A 86 -7.763 -5.574 1.915 1.00 1.00 H new ATOM 1406 N CYS A 87 -7.644 -4.418 5.008 1.00 1.00 N ATOM 1407 CA CYS A 87 -8.861 -3.579 5.178 1.00 1.00 C ATOM 1408 C CYS A 87 -8.508 -2.154 4.761 1.00 1.00 C ATOM 1409 O CYS A 87 -7.505 -1.612 5.176 1.00 1.00 O ATOM 1410 CB CYS A 87 -9.291 -3.608 6.649 1.00 1.00 C ATOM 1411 SG CYS A 87 -11.033 -3.143 6.793 1.00 1.00 S ATOM 0 H CYS A 87 -6.865 -4.174 5.620 1.00 1.00 H new ATOM 0 HA CYS A 87 -9.682 -3.954 4.567 1.00 1.00 H new ATOM 0 HB2 CYS A 87 -9.137 -4.605 7.062 1.00 1.00 H new ATOM 0 HB3 CYS A 87 -8.674 -2.923 7.230 1.00 1.00 H new ATOM 0 HG CYS A 87 -11.609 -3.253 5.633 1.00 1.00 H new ATOM 1416 N ILE A 88 -9.299 -1.547 3.921 1.00 1.00 N ATOM 1417 CA ILE A 88 -8.976 -0.165 3.470 1.00 1.00 C ATOM 1418 C ILE A 88 -10.274 0.633 3.325 1.00 1.00 C ATOM 1419 O ILE A 88 -11.333 0.078 3.116 1.00 1.00 O ATOM 1420 CB ILE A 88 -8.216 -0.247 2.133 1.00 1.00 C ATOM 1421 CG1 ILE A 88 -8.602 0.922 1.223 1.00 1.00 C ATOM 1422 CG2 ILE A 88 -8.555 -1.560 1.425 1.00 1.00 C ATOM 1423 CD1 ILE A 88 -7.589 1.054 0.078 1.00 1.00 C ATOM 0 H ILE A 88 -10.152 -1.946 3.529 1.00 1.00 H new ATOM 0 HA ILE A 88 -8.345 0.343 4.199 1.00 1.00 H new ATOM 0 HB ILE A 88 -7.147 -0.201 2.342 1.00 1.00 H new ATOM 0 HG12 ILE A 88 -9.602 0.764 0.818 1.00 1.00 H new ATOM 0 HG13 ILE A 88 -8.634 1.847 1.799 1.00 1.00 H new ATOM 0 HG21 ILE A 88 -8.015 -1.614 0.480 1.00 1.00 H new ATOM 0 HG22 ILE A 88 -8.265 -2.399 2.057 1.00 1.00 H new ATOM 0 HG23 ILE A 88 -9.627 -1.604 1.233 1.00 1.00 H new ATOM 0 HD11 ILE A 88 -7.872 1.888 -0.564 1.00 1.00 H new ATOM 0 HD12 ILE A 88 -6.596 1.234 0.490 1.00 1.00 H new ATOM 0 HD13 ILE A 88 -7.578 0.134 -0.506 1.00 1.00 H new ATOM 1435 N THR A 89 -10.202 1.934 3.445 1.00 1.00 N ATOM 1436 CA THR A 89 -11.434 2.761 3.324 1.00 1.00 C ATOM 1437 C THR A 89 -11.550 3.317 1.903 1.00 1.00 C ATOM 1438 O THR A 89 -10.649 3.970 1.399 1.00 1.00 O ATOM 1439 CB THR A 89 -11.372 3.913 4.334 1.00 1.00 C ATOM 1440 OG1 THR A 89 -11.724 3.426 5.622 1.00 1.00 O ATOM 1441 CG2 THR A 89 -12.345 5.024 3.927 1.00 1.00 C ATOM 0 H THR A 89 -9.344 2.456 3.621 1.00 1.00 H new ATOM 0 HA THR A 89 -12.308 2.144 3.532 1.00 1.00 H new ATOM 0 HB THR A 89 -10.360 4.317 4.354 1.00 1.00 H new ATOM 0 HG1 THR A 89 -11.684 4.159 6.271 1.00 1.00 H new ATOM 0 HG21 THR A 89 -12.293 5.837 4.651 1.00 1.00 H new ATOM 0 HG22 THR A 89 -12.076 5.400 2.940 1.00 1.00 H new ATOM 0 HG23 THR A 89 -13.360 4.627 3.900 1.00 1.00 H new ATOM 1449 N CYS A 90 -12.664 3.061 1.264 1.00 1.00 N ATOM 1450 CA CYS A 90 -12.894 3.559 -0.123 1.00 1.00 C ATOM 1451 C CYS A 90 -14.078 4.531 -0.105 1.00 1.00 C ATOM 1452 O CYS A 90 -14.724 4.705 0.908 1.00 1.00 O ATOM 1453 CB CYS A 90 -13.210 2.368 -1.035 1.00 1.00 C ATOM 1454 SG CYS A 90 -12.760 2.769 -2.741 1.00 1.00 S ATOM 0 H CYS A 90 -13.435 2.519 1.653 1.00 1.00 H new ATOM 0 HA CYS A 90 -12.007 4.071 -0.496 1.00 1.00 H new ATOM 0 HB2 CYS A 90 -12.662 1.487 -0.702 1.00 1.00 H new ATOM 0 HB3 CYS A 90 -14.271 2.124 -0.976 1.00 1.00 H new ATOM 1459 N VAL A 91 -14.365 5.177 -1.208 1.00 1.00 N ATOM 1460 CA VAL A 91 -15.504 6.148 -1.229 1.00 1.00 C ATOM 1461 C VAL A 91 -16.304 6.017 -2.528 1.00 1.00 C ATOM 1462 O VAL A 91 -16.917 5.003 -2.793 1.00 1.00 O ATOM 1463 CB VAL A 91 -14.945 7.565 -1.109 1.00 1.00 C ATOM 1464 CG1 VAL A 91 -16.089 8.557 -0.869 1.00 1.00 C ATOM 1465 CG2 VAL A 91 -13.971 7.612 0.066 1.00 1.00 C ATOM 0 H VAL A 91 -13.864 5.075 -2.090 1.00 1.00 H new ATOM 0 HA VAL A 91 -16.172 5.935 -0.394 1.00 1.00 H new ATOM 0 HB VAL A 91 -14.430 7.836 -2.030 1.00 1.00 H new ATOM 0 HG11 VAL A 91 -15.684 9.566 -0.784 1.00 1.00 H new ATOM 0 HG12 VAL A 91 -16.788 8.515 -1.704 1.00 1.00 H new ATOM 0 HG13 VAL A 91 -16.609 8.296 0.053 1.00 1.00 H new ATOM 0 HG21 VAL A 91 -13.565 8.619 0.162 1.00 1.00 H new ATOM 0 HG22 VAL A 91 -14.494 7.343 0.983 1.00 1.00 H new ATOM 0 HG23 VAL A 91 -13.157 6.908 -0.107 1.00 1.00 H new ATOM 1475 N ASN A 92 -16.319 7.053 -3.321 1.00 1.00 N ATOM 1476 CA ASN A 92 -17.086 7.027 -4.599 1.00 1.00 C ATOM 1477 C ASN A 92 -16.408 6.073 -5.578 1.00 1.00 C ATOM 1478 O ASN A 92 -16.287 6.358 -6.752 1.00 1.00 O ATOM 1479 CB ASN A 92 -17.127 8.432 -5.200 1.00 1.00 C ATOM 1480 CG ASN A 92 -18.082 9.308 -4.387 1.00 1.00 C ATOM 1481 OD1 ASN A 92 -18.293 10.460 -4.712 1.00 1.00 O ATOM 1482 ND2 ASN A 92 -18.672 8.809 -3.336 1.00 1.00 N ATOM 0 H ASN A 92 -15.827 7.927 -3.136 1.00 1.00 H new ATOM 0 HA ASN A 92 -18.103 6.687 -4.405 1.00 1.00 H new ATOM 0 HB2 ASN A 92 -16.128 8.868 -5.200 1.00 1.00 H new ATOM 0 HB3 ASN A 92 -17.455 8.385 -6.239 1.00 1.00 H new ATOM 0 HD21 ASN A 92 -19.310 9.386 -2.787 1.00 1.00 H new ATOM 0 HD22 ASN A 92 -18.495 7.842 -3.063 1.00 1.00 H new ATOM 1489 N GLN A 93 -15.959 4.952 -5.089 1.00 1.00 N ATOM 1490 CA GLN A 93 -15.275 3.950 -5.958 1.00 1.00 C ATOM 1491 C GLN A 93 -13.817 4.363 -6.148 1.00 1.00 C ATOM 1492 O GLN A 93 -13.280 4.319 -7.237 1.00 1.00 O ATOM 1493 CB GLN A 93 -15.973 3.845 -7.325 1.00 1.00 C ATOM 1494 CG GLN A 93 -17.500 3.866 -7.140 1.00 1.00 C ATOM 1495 CD GLN A 93 -18.152 2.873 -8.107 1.00 1.00 C ATOM 1496 OE1 GLN A 93 -19.132 2.237 -7.775 1.00 1.00 O ATOM 1497 NE2 GLN A 93 -17.645 2.714 -9.299 1.00 1.00 N ATOM 0 H GLN A 93 -16.037 4.682 -4.109 1.00 1.00 H new ATOM 0 HA GLN A 93 -15.323 2.973 -5.477 1.00 1.00 H new ATOM 0 HB2 GLN A 93 -15.665 4.672 -7.964 1.00 1.00 H new ATOM 0 HB3 GLN A 93 -15.672 2.925 -7.826 1.00 1.00 H new ATOM 0 HG2 GLN A 93 -17.755 3.608 -6.112 1.00 1.00 H new ATOM 0 HG3 GLN A 93 -17.884 4.870 -7.321 1.00 1.00 H new ATOM 0 HE21 GLN A 93 -16.822 3.248 -9.579 1.00 1.00 H new ATOM 0 HE22 GLN A 93 -18.072 2.056 -9.951 1.00 1.00 H new ATOM 1506 N LEU A 94 -13.176 4.757 -5.083 1.00 1.00 N ATOM 1507 CA LEU A 94 -11.749 5.175 -5.167 1.00 1.00 C ATOM 1508 C LEU A 94 -11.089 4.929 -3.799 1.00 1.00 C ATOM 1509 O LEU A 94 -11.504 5.493 -2.806 1.00 1.00 O ATOM 1510 CB LEU A 94 -11.676 6.674 -5.508 1.00 1.00 C ATOM 1511 CG LEU A 94 -11.691 6.890 -7.031 1.00 1.00 C ATOM 1512 CD1 LEU A 94 -11.607 8.389 -7.325 1.00 1.00 C ATOM 1513 CD2 LEU A 94 -10.500 6.173 -7.686 1.00 1.00 C ATOM 0 H LEU A 94 -13.584 4.808 -4.149 1.00 1.00 H new ATOM 0 HA LEU A 94 -11.234 4.605 -5.940 1.00 1.00 H new ATOM 0 HB2 LEU A 94 -12.518 7.196 -5.054 1.00 1.00 H new ATOM 0 HB3 LEU A 94 -10.768 7.104 -5.084 1.00 1.00 H new ATOM 0 HG LEU A 94 -12.615 6.480 -7.440 1.00 1.00 H new ATOM 0 HD11 LEU A 94 -11.617 8.549 -8.403 1.00 1.00 H new ATOM 0 HD12 LEU A 94 -12.460 8.896 -6.875 1.00 1.00 H new ATOM 0 HD13 LEU A 94 -10.684 8.791 -6.907 1.00 1.00 H new ATOM 0 HD21 LEU A 94 -10.525 6.336 -8.764 1.00 1.00 H new ATOM 0 HD22 LEU A 94 -9.569 6.569 -7.281 1.00 1.00 H new ATOM 0 HD23 LEU A 94 -10.560 5.105 -7.479 1.00 1.00 H new ATOM 1525 N PRO A 95 -10.080 4.091 -3.735 1.00 1.00 N ATOM 1526 CA PRO A 95 -9.382 3.781 -2.450 1.00 1.00 C ATOM 1527 C PRO A 95 -8.464 4.927 -2.013 1.00 1.00 C ATOM 1528 O PRO A 95 -7.714 5.457 -2.808 1.00 1.00 O ATOM 1529 CB PRO A 95 -8.570 2.525 -2.781 1.00 1.00 C ATOM 1530 CG PRO A 95 -8.307 2.603 -4.248 1.00 1.00 C ATOM 1531 CD PRO A 95 -9.487 3.354 -4.866 1.00 1.00 C ATOM 0 HA PRO A 95 -10.076 3.639 -1.622 1.00 1.00 H new ATOM 0 HB2 PRO A 95 -7.639 2.498 -2.215 1.00 1.00 H new ATOM 0 HB3 PRO A 95 -9.123 1.621 -2.528 1.00 1.00 H new ATOM 0 HG2 PRO A 95 -7.370 3.124 -4.446 1.00 1.00 H new ATOM 0 HG3 PRO A 95 -8.215 1.606 -4.678 1.00 1.00 H new ATOM 0 HD2 PRO A 95 -9.159 4.031 -5.654 1.00 1.00 H new ATOM 0 HD3 PRO A 95 -10.205 2.667 -5.314 1.00 1.00 H new ATOM 1539 N ILE A 96 -8.525 5.335 -0.767 1.00 1.00 N ATOM 1540 CA ILE A 96 -7.658 6.467 -0.330 1.00 1.00 C ATOM 1541 C ILE A 96 -7.086 6.247 1.079 1.00 1.00 C ATOM 1542 O ILE A 96 -6.122 6.889 1.444 1.00 1.00 O ATOM 1543 CB ILE A 96 -8.482 7.760 -0.353 1.00 1.00 C ATOM 1544 CG1 ILE A 96 -9.743 7.593 0.518 1.00 1.00 C ATOM 1545 CG2 ILE A 96 -8.901 8.071 -1.797 1.00 1.00 C ATOM 1546 CD1 ILE A 96 -9.486 8.124 1.930 1.00 1.00 C ATOM 0 H ILE A 96 -9.128 4.938 -0.047 1.00 1.00 H new ATOM 0 HA ILE A 96 -6.815 6.534 -1.018 1.00 1.00 H new ATOM 0 HB ILE A 96 -7.878 8.578 0.040 1.00 1.00 H new ATOM 0 HG12 ILE A 96 -10.578 8.128 0.067 1.00 1.00 H new ATOM 0 HG13 ILE A 96 -10.026 6.541 0.563 1.00 1.00 H new ATOM 0 HG21 ILE A 96 -9.487 8.990 -1.816 1.00 1.00 H new ATOM 0 HG22 ILE A 96 -8.012 8.195 -2.415 1.00 1.00 H new ATOM 0 HG23 ILE A 96 -9.502 7.249 -2.186 1.00 1.00 H new ATOM 0 HD11 ILE A 96 -10.385 8.000 2.534 1.00 1.00 H new ATOM 0 HD12 ILE A 96 -8.664 7.570 2.383 1.00 1.00 H new ATOM 0 HD13 ILE A 96 -9.226 9.181 1.879 1.00 1.00 H new ATOM 1558 N HIS A 97 -7.651 5.379 1.893 1.00 1.00 N ATOM 1559 CA HIS A 97 -7.076 5.207 3.269 1.00 1.00 C ATOM 1560 C HIS A 97 -6.738 3.736 3.536 1.00 1.00 C ATOM 1561 O HIS A 97 -7.585 2.871 3.488 1.00 1.00 O ATOM 1562 CB HIS A 97 -8.089 5.708 4.311 1.00 1.00 C ATOM 1563 CG HIS A 97 -7.538 6.912 5.026 1.00 1.00 C ATOM 1564 ND1 HIS A 97 -6.272 6.919 5.598 1.00 1.00 N ATOM 1565 CD2 HIS A 97 -8.067 8.157 5.271 1.00 1.00 C ATOM 1566 CE1 HIS A 97 -6.085 8.131 6.154 1.00 1.00 C ATOM 1567 NE2 HIS A 97 -7.147 8.919 5.981 1.00 1.00 N ATOM 0 H HIS A 97 -8.461 4.799 1.673 1.00 1.00 H new ATOM 0 HA HIS A 97 -6.157 5.788 3.341 1.00 1.00 H new ATOM 0 HB2 HIS A 97 -9.029 5.963 3.823 1.00 1.00 H new ATOM 0 HB3 HIS A 97 -8.307 4.917 5.028 1.00 1.00 H new ATOM 0 HD2 HIS A 97 -9.046 8.491 4.960 1.00 1.00 H new ATOM 0 HE1 HIS A 97 -5.187 8.428 6.675 1.00 1.00 H new ATOM 0 HE2 HIS A 97 -7.260 9.880 6.303 1.00 1.00 H new ATOM 1576 N PHE A 98 -5.494 3.458 3.833 1.00 1.00 N ATOM 1577 CA PHE A 98 -5.080 2.054 4.118 1.00 1.00 C ATOM 1578 C PHE A 98 -5.256 1.776 5.612 1.00 1.00 C ATOM 1579 O PHE A 98 -4.627 2.395 6.448 1.00 1.00 O ATOM 1580 CB PHE A 98 -3.608 1.873 3.733 1.00 1.00 C ATOM 1581 CG PHE A 98 -3.119 0.521 4.199 1.00 1.00 C ATOM 1582 CD1 PHE A 98 -3.562 -0.642 3.560 1.00 1.00 C ATOM 1583 CD2 PHE A 98 -2.216 0.433 5.266 1.00 1.00 C ATOM 1584 CE1 PHE A 98 -3.105 -1.894 3.989 1.00 1.00 C ATOM 1585 CE2 PHE A 98 -1.760 -0.819 5.695 1.00 1.00 C ATOM 1586 CZ PHE A 98 -2.203 -1.983 5.056 1.00 1.00 C ATOM 0 H PHE A 98 -4.745 4.148 3.890 1.00 1.00 H new ATOM 0 HA PHE A 98 -5.693 1.361 3.541 1.00 1.00 H new ATOM 0 HB2 PHE A 98 -3.492 1.959 2.653 1.00 1.00 H new ATOM 0 HB3 PHE A 98 -3.005 2.662 4.182 1.00 1.00 H new ATOM 0 HD1 PHE A 98 -4.257 -0.574 2.736 1.00 1.00 H new ATOM 0 HD2 PHE A 98 -1.872 1.331 5.758 1.00 1.00 H new ATOM 0 HE1 PHE A 98 -3.449 -2.792 3.496 1.00 1.00 H new ATOM 0 HE2 PHE A 98 -1.066 -0.887 6.520 1.00 1.00 H new ATOM 0 HZ PHE A 98 -1.849 -2.949 5.386 1.00 1.00 H new ATOM 1596 N ALA A 99 -6.113 0.857 5.956 1.00 1.00 N ATOM 1597 CA ALA A 99 -6.337 0.544 7.394 1.00 1.00 C ATOM 1598 C ALA A 99 -5.090 -0.125 7.982 1.00 1.00 C ATOM 1599 O ALA A 99 -4.369 0.462 8.764 1.00 1.00 O ATOM 1600 CB ALA A 99 -7.532 -0.402 7.522 1.00 1.00 C ATOM 0 H ALA A 99 -6.670 0.307 5.301 1.00 1.00 H new ATOM 0 HA ALA A 99 -6.537 1.467 7.939 1.00 1.00 H new ATOM 0 HB1 ALA A 99 -7.701 -0.635 8.573 1.00 1.00 H new ATOM 0 HB2 ALA A 99 -8.420 0.076 7.109 1.00 1.00 H new ATOM 0 HB3 ALA A 99 -7.328 -1.322 6.975 1.00 1.00 H new ATOM 1606 N GLY A 100 -4.834 -1.352 7.615 1.00 1.00 N ATOM 1607 CA GLY A 100 -3.638 -2.058 8.157 1.00 1.00 C ATOM 1608 C GLY A 100 -3.439 -3.378 7.409 1.00 1.00 C ATOM 1609 O GLY A 100 -3.918 -3.555 6.305 1.00 1.00 O ATOM 0 H GLY A 100 -5.401 -1.895 6.964 1.00 1.00 H new ATOM 0 HA2 GLY A 100 -2.753 -1.431 8.050 1.00 1.00 H new ATOM 0 HA3 GLY A 100 -3.767 -2.248 9.223 1.00 1.00 H new ATOM 1613 N VAL A 101 -2.734 -4.307 7.999 1.00 1.00 N ATOM 1614 CA VAL A 101 -2.500 -5.616 7.322 1.00 1.00 C ATOM 1615 C VAL A 101 -3.513 -6.649 7.824 1.00 1.00 C ATOM 1616 O VAL A 101 -3.884 -6.660 8.981 1.00 1.00 O ATOM 1617 CB VAL A 101 -1.084 -6.103 7.638 1.00 1.00 C ATOM 1618 CG1 VAL A 101 -0.728 -7.270 6.714 1.00 1.00 C ATOM 1619 CG2 VAL A 101 -0.092 -4.959 7.417 1.00 1.00 C ATOM 0 H VAL A 101 -2.310 -4.215 8.922 1.00 1.00 H new ATOM 0 HA VAL A 101 -2.617 -5.490 6.246 1.00 1.00 H new ATOM 0 HB VAL A 101 -1.036 -6.433 8.676 1.00 1.00 H new ATOM 0 HG11 VAL A 101 0.280 -7.617 6.939 1.00 1.00 H new ATOM 0 HG12 VAL A 101 -1.435 -8.085 6.868 1.00 1.00 H new ATOM 0 HG13 VAL A 101 -0.775 -6.940 5.676 1.00 1.00 H new ATOM 0 HG21 VAL A 101 0.917 -5.304 7.642 1.00 1.00 H new ATOM 0 HG22 VAL A 101 -0.141 -4.631 6.379 1.00 1.00 H new ATOM 0 HG23 VAL A 101 -0.345 -4.126 8.073 1.00 1.00 H new ATOM 1629 N GLY A 102 -3.962 -7.518 6.959 1.00 1.00 N ATOM 1630 CA GLY A 102 -4.950 -8.552 7.382 1.00 1.00 C ATOM 1631 C GLY A 102 -6.343 -7.928 7.465 1.00 1.00 C ATOM 1632 O GLY A 102 -6.527 -6.756 7.202 1.00 1.00 O ATOM 0 H GLY A 102 -3.687 -7.557 5.977 1.00 1.00 H new ATOM 0 HA2 GLY A 102 -4.953 -9.379 6.672 1.00 1.00 H new ATOM 0 HA3 GLY A 102 -4.667 -8.965 8.350 1.00 1.00 H new ATOM 1636 N SER A 103 -7.330 -8.703 7.825 1.00 1.00 N ATOM 1637 CA SER A 103 -8.713 -8.155 7.920 1.00 1.00 C ATOM 1638 C SER A 103 -8.814 -7.208 9.117 1.00 1.00 C ATOM 1639 O SER A 103 -8.079 -7.323 10.078 1.00 1.00 O ATOM 1640 CB SER A 103 -9.705 -9.304 8.094 1.00 1.00 C ATOM 1641 OG SER A 103 -9.461 -10.291 7.100 1.00 1.00 O ATOM 0 H SER A 103 -7.238 -9.692 8.057 1.00 1.00 H new ATOM 0 HA SER A 103 -8.946 -7.606 7.007 1.00 1.00 H new ATOM 0 HB2 SER A 103 -9.603 -9.740 9.088 1.00 1.00 H new ATOM 0 HB3 SER A 103 -10.727 -8.933 8.011 1.00 1.00 H new ATOM 0 HG SER A 103 -10.095 -11.030 7.210 1.00 1.00 H new