USER MOD reduce.3.24.130724 H: found=0, std=0, add=937, rem=0, adj=22 USER MOD reduce.3.24.130724 removed 938 hydrogens (27 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 65 CYS SG : rot -41:sc= 0.726 USER MOD Set 1.2: A 117 THR OG1 : rot 107:sc= 0.241 USER MOD Set 2.1: A 56 THR OG1 : rot 160:sc= -1.28 USER MOD Set 2.2: A 59 GLN :FLIP amide:sc= -1 F(o=-3.4,f=-2.3) USER MOD Single : A 3 ASN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 5 GLN : amide:sc= -0.0374 X(o=-0.037,f=-0.0057) USER MOD Single : A 10 LYS NZ :NH3+ -168:sc=-0.000552 (180deg=-0.0668) USER MOD Single : A 11 MET CE :methyl 149:sc= -0.21 (180deg=-2.85!) USER MOD Single : A 14 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 16 CYS SG : rot 180:sc= -0.368 USER MOD Single : A 17 SER OG : rot 74:sc= 1.06 USER MOD Single : A 18 ASN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 26 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 27 SER OG : rot 180:sc= 0 USER MOD Single : A 28 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 29 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 34 ASN : amide:sc= -0.43 X(o=-0.43,f=-0.073) USER MOD Single : A 41 MET CE :methyl 152:sc= -0.121 (180deg=-0.653) USER MOD Single : A 43 ASN : amide:sc= -3.69 K(o=-3.7,f=-5.7!) USER MOD Single : A 45 SER OG : rot 180:sc= 0 USER MOD Single : A 46 THR OG1 : rot -93:sc= 0.853 USER MOD Single : A 68 GLN : amide:sc= -0.0857 K(o=-0.086,f=-0.96) USER MOD Single : A 73 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 76 SER OG : rot 180:sc= 0 USER MOD Single : A 77 SER OG : rot 140:sc= -0.362 USER MOD Single : A 78 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 82 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 86 THR OG1 : rot 83:sc= 1.1 USER MOD Single : A 88 LYS NZ :NH3+ 141:sc= -0.913 (180deg=-5.82!) USER MOD Single : A 97 ASN : amide:sc= 0 X(o=0,f=-0.017) USER MOD Single : A 98 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 99 THR OG1 : rot 125:sc= 0.07 USER MOD Single : A 101 SER OG : rot 180:sc= 0 USER MOD Single : A 102 THR OG1 : rot -140:sc= 0.125 USER MOD Single : A 108 ASN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 109 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 110 TYR OH : rot 30:sc= -0.572 USER MOD Single : A 111 SER OG : rot 180:sc= -0.136 USER MOD Single : A 112 GLN : amide:sc=-0.00083 X(o=-0.00083,f=-0.028) USER MOD Single : A 113 MET CE :methyl -121:sc= 0 (180deg=-1.06) USER MOD ----------------------------------------------------------------- ATOM 1 N GLY A 2 7.780 14.563 3.856 1.00 35.12 N ATOM 2 CA GLY A 2 8.703 15.485 3.220 1.00 30.33 C ATOM 3 C GLY A 2 8.011 16.729 2.698 1.00 63.43 C ATOM 4 O GLY A 2 8.324 17.843 3.116 1.00 71.25 O ATOM 0 HA2 GLY A 2 9.473 15.774 3.935 1.00 30.33 H new ATOM 0 HA3 GLY A 2 9.206 14.980 2.396 1.00 30.33 H new ATOM 8 N ASN A 3 7.068 16.539 1.780 1.00 65.12 N ATOM 9 CA ASN A 3 6.332 17.655 1.199 1.00 52.25 C ATOM 10 C ASN A 3 5.118 18.011 2.052 1.00 64.24 C ATOM 11 O ASN A 3 4.918 19.169 2.414 1.00 33.11 O ATOM 12 CB ASN A 3 5.887 17.314 -0.225 1.00 21.41 C ATOM 13 CG ASN A 3 6.971 16.607 -1.015 1.00 51.31 C ATOM 14 OD1 ASN A 3 8.106 17.076 -1.089 1.00 43.25 O ATOM 15 ND2 ASN A 3 6.624 15.473 -1.612 1.00 73.51 N ATOM 0 H ASN A 3 6.796 15.623 1.423 1.00 65.12 H new ATOM 0 HA ASN A 3 6.997 18.518 1.168 1.00 52.25 H new ATOM 0 HB2 ASN A 3 5.000 16.682 -0.184 1.00 21.41 H new ATOM 0 HB3 ASN A 3 5.602 18.230 -0.743 1.00 21.41 H new ATOM 0 HD21 ASN A 3 7.311 14.954 -2.159 1.00 73.51 H new ATOM 0 HD22 ASN A 3 5.671 15.121 -1.524 1.00 73.51 H new ATOM 22 N GLY A 4 4.311 17.003 2.371 1.00 1.30 N ATOM 23 CA GLY A 4 3.127 17.229 3.179 1.00 41.10 C ATOM 24 C GLY A 4 2.564 15.945 3.756 1.00 65.54 C ATOM 25 O GLY A 4 3.141 14.872 3.575 1.00 41.11 O ATOM 0 H GLY A 4 4.456 16.035 2.084 1.00 1.30 H new ATOM 0 HA2 GLY A 4 3.371 17.913 3.992 1.00 41.10 H new ATOM 0 HA3 GLY A 4 2.364 17.716 2.572 1.00 41.10 H new ATOM 29 N GLN A 5 1.438 16.054 4.452 1.00 53.11 N ATOM 30 CA GLN A 5 0.800 14.891 5.058 1.00 5.44 C ATOM 31 C GLN A 5 -0.134 14.204 4.068 1.00 23.33 C ATOM 32 O GLN A 5 -0.233 14.608 2.910 1.00 65.14 O ATOM 33 CB GLN A 5 0.022 15.305 6.309 1.00 54.13 C ATOM 34 CG GLN A 5 0.512 14.632 7.581 1.00 65.10 C ATOM 35 CD GLN A 5 -0.587 13.881 8.304 1.00 13.14 C ATOM 36 OE1 GLN A 5 -0.479 12.679 8.546 1.00 20.53 O ATOM 37 NE2 GLN A 5 -1.656 14.588 8.656 1.00 62.12 N ATOM 0 H GLN A 5 0.948 16.935 4.611 1.00 53.11 H new ATOM 0 HA GLN A 5 1.581 14.185 5.341 1.00 5.44 H new ATOM 0 HB2 GLN A 5 0.093 16.386 6.429 1.00 54.13 H new ATOM 0 HB3 GLN A 5 -1.032 15.069 6.166 1.00 54.13 H new ATOM 0 HG2 GLN A 5 1.318 13.941 7.334 1.00 65.10 H new ATOM 0 HG3 GLN A 5 0.931 15.385 8.248 1.00 65.10 H new ATOM 0 HE21 GLN A 5 -1.705 15.583 8.436 1.00 62.12 H new ATOM 0 HE22 GLN A 5 -2.428 14.136 9.146 1.00 62.12 H new ATOM 46 N GLY A 6 -0.819 13.162 4.532 1.00 43.33 N ATOM 47 CA GLY A 6 -1.735 12.435 3.674 1.00 54.51 C ATOM 48 C GLY A 6 -2.901 11.844 4.439 1.00 30.24 C ATOM 49 O GLY A 6 -2.711 11.198 5.470 1.00 23.23 O ATOM 0 H GLY A 6 -0.755 12.809 5.487 1.00 43.33 H new ATOM 0 HA2 GLY A 6 -2.113 13.105 2.902 1.00 54.51 H new ATOM 0 HA3 GLY A 6 -1.195 11.636 3.166 1.00 54.51 H new ATOM 53 N ARG A 7 -4.112 12.066 3.937 1.00 44.12 N ATOM 54 CA ARG A 7 -5.312 11.552 4.583 1.00 33.14 C ATOM 55 C ARG A 7 -5.397 10.035 4.446 1.00 33.21 C ATOM 56 O ARG A 7 -5.434 9.312 5.442 1.00 11.42 O ATOM 57 CB ARG A 7 -6.560 12.200 3.978 1.00 23.23 C ATOM 58 CG ARG A 7 -7.755 12.213 4.917 1.00 40.24 C ATOM 59 CD ARG A 7 -7.848 13.524 5.682 1.00 74.13 C ATOM 60 NE ARG A 7 -8.917 14.380 5.173 1.00 71.34 N ATOM 61 CZ ARG A 7 -10.207 14.156 5.395 1.00 2.31 C ATOM 62 NH1 ARG A 7 -10.587 13.110 6.116 1.00 71.20 N ATOM 63 NH2 ARG A 7 -11.120 14.981 4.898 1.00 20.41 N ATOM 0 H ARG A 7 -4.287 12.599 3.085 1.00 44.12 H new ATOM 0 HA ARG A 7 -5.258 11.801 5.643 1.00 33.14 H new ATOM 0 HB2 ARG A 7 -6.324 13.224 3.690 1.00 23.23 H new ATOM 0 HB3 ARG A 7 -6.830 11.667 3.067 1.00 23.23 H new ATOM 0 HG2 ARG A 7 -8.670 12.058 4.345 1.00 40.24 H new ATOM 0 HG3 ARG A 7 -7.675 11.385 5.621 1.00 40.24 H new ATOM 0 HD2 ARG A 7 -8.022 13.316 6.738 1.00 74.13 H new ATOM 0 HD3 ARG A 7 -6.897 14.052 5.613 1.00 74.13 H new ATOM 0 HE ARG A 7 -8.658 15.195 4.616 1.00 71.34 H new ATOM 0 HH11 ARG A 7 -9.888 12.475 6.502 1.00 71.20 H new ATOM 0 HH12 ARG A 7 -11.578 12.940 6.285 1.00 71.20 H new ATOM 0 HH21 ARG A 7 -10.831 15.788 4.345 1.00 20.41 H new ATOM 0 HH22 ARG A 7 -12.111 14.808 5.069 1.00 20.41 H new ATOM 77 N ASP A 8 -5.429 9.559 3.206 1.00 30.31 N ATOM 78 CA ASP A 8 -5.509 8.127 2.938 1.00 11.34 C ATOM 79 C ASP A 8 -4.345 7.387 3.589 1.00 44.34 C ATOM 80 O ASP A 8 -4.435 6.191 3.866 1.00 63.24 O ATOM 81 CB ASP A 8 -5.517 7.869 1.431 1.00 45.54 C ATOM 82 CG ASP A 8 -6.919 7.715 0.876 1.00 25.21 C ATOM 83 OD1 ASP A 8 -7.249 6.609 0.397 1.00 11.32 O ATOM 84 OD2 ASP A 8 -7.686 8.699 0.923 1.00 63.55 O ATOM 0 H ASP A 8 -5.401 10.143 2.370 1.00 30.31 H new ATOM 0 HA ASP A 8 -6.438 7.752 3.367 1.00 11.34 H new ATOM 0 HB2 ASP A 8 -5.017 8.693 0.922 1.00 45.54 H new ATOM 0 HB3 ASP A 8 -4.944 6.967 1.217 1.00 45.54 H new ATOM 89 N TRP A 9 -3.253 8.106 3.828 1.00 61.23 N ATOM 90 CA TRP A 9 -2.070 7.516 4.444 1.00 73.01 C ATOM 91 C TRP A 9 -2.296 7.273 5.932 1.00 23.41 C ATOM 92 O TRP A 9 -2.319 6.130 6.389 1.00 61.00 O ATOM 93 CB TRP A 9 -0.858 8.425 4.241 1.00 64.24 C ATOM 94 CG TRP A 9 0.354 7.979 5.004 1.00 71.14 C ATOM 95 CD1 TRP A 9 0.945 8.621 6.053 1.00 11.33 C ATOM 96 CD2 TRP A 9 1.122 6.793 4.772 1.00 4.44 C ATOM 97 NE1 TRP A 9 2.034 7.907 6.489 1.00 4.11 N ATOM 98 CE2 TRP A 9 2.164 6.781 5.721 1.00 40.15 C ATOM 99 CE3 TRP A 9 1.031 5.739 3.859 1.00 42.21 C ATOM 100 CZ2 TRP A 9 3.106 5.757 5.778 1.00 64.00 C ATOM 101 CZ3 TRP A 9 1.967 4.725 3.917 1.00 20.32 C ATOM 102 CH2 TRP A 9 2.993 4.739 4.871 1.00 21.30 C ATOM 0 H TRP A 9 -3.163 9.097 3.605 1.00 61.23 H new ATOM 0 HA TRP A 9 -1.880 6.556 3.963 1.00 73.01 H new ATOM 0 HB2 TRP A 9 -0.616 8.464 3.179 1.00 64.24 H new ATOM 0 HB3 TRP A 9 -1.118 9.439 4.546 1.00 64.24 H new ATOM 0 HD1 TRP A 9 0.606 9.554 6.478 1.00 11.33 H new ATOM 0 HE1 TRP A 9 2.647 8.172 7.260 1.00 4.11 H new ATOM 0 HE3 TRP A 9 0.243 5.718 3.121 1.00 42.21 H new ATOM 0 HZ2 TRP A 9 3.898 5.766 6.512 1.00 64.00 H new ATOM 0 HZ3 TRP A 9 1.907 3.907 3.215 1.00 20.32 H new ATOM 0 HH2 TRP A 9 3.709 3.930 4.891 1.00 21.30 H new ATOM 113 N LYS A 10 -2.462 8.355 6.686 1.00 53.55 N ATOM 114 CA LYS A 10 -2.688 8.260 8.122 1.00 2.43 C ATOM 115 C LYS A 10 -3.967 7.486 8.422 1.00 23.04 C ATOM 116 O LYS A 10 -4.073 6.819 9.451 1.00 25.42 O ATOM 117 CB LYS A 10 -2.768 9.658 8.741 1.00 33.00 C ATOM 118 CG LYS A 10 -2.927 9.647 10.251 1.00 23.43 C ATOM 119 CD LYS A 10 -1.580 9.580 10.952 1.00 31.13 C ATOM 120 CE LYS A 10 -1.681 10.044 12.398 1.00 62.12 C ATOM 121 NZ LYS A 10 -1.815 11.523 12.497 1.00 55.22 N ATOM 0 H LYS A 10 -2.444 9.309 6.325 1.00 53.55 H new ATOM 0 HA LYS A 10 -1.848 7.722 8.561 1.00 2.43 H new ATOM 0 HB2 LYS A 10 -1.866 10.212 8.483 1.00 33.00 H new ATOM 0 HB3 LYS A 10 -3.608 10.194 8.300 1.00 33.00 H new ATOM 0 HG2 LYS A 10 -3.459 10.544 10.568 1.00 23.43 H new ATOM 0 HG3 LYS A 10 -3.536 8.793 10.548 1.00 23.43 H new ATOM 0 HD2 LYS A 10 -1.203 8.558 10.922 1.00 31.13 H new ATOM 0 HD3 LYS A 10 -0.860 10.201 10.419 1.00 31.13 H new ATOM 0 HE2 LYS A 10 -2.539 9.569 12.873 1.00 62.12 H new ATOM 0 HE3 LYS A 10 -0.795 9.722 12.946 1.00 62.12 H new ATOM 0 HZ1 LYS A 10 -1.677 11.819 13.485 1.00 55.22 H new ATOM 0 HZ2 LYS A 10 -1.098 11.978 11.896 1.00 55.22 H new ATOM 0 HZ3 LYS A 10 -2.764 11.808 12.180 1.00 55.22 H new ATOM 135 N MET A 11 -4.936 7.579 7.517 1.00 2.44 N ATOM 136 CA MET A 11 -6.207 6.885 7.685 1.00 13.13 C ATOM 137 C MET A 11 -6.037 5.383 7.486 1.00 23.40 C ATOM 138 O MET A 11 -6.511 4.583 8.292 1.00 72.43 O ATOM 139 CB MET A 11 -7.243 7.427 6.698 1.00 22.04 C ATOM 140 CG MET A 11 -8.666 6.992 7.010 1.00 44.21 C ATOM 141 SD MET A 11 -9.900 8.130 6.353 1.00 52.32 S ATOM 142 CE MET A 11 -11.077 8.168 7.703 1.00 55.43 C ATOM 0 H MET A 11 -4.865 8.128 6.660 1.00 2.44 H new ATOM 0 HA MET A 11 -6.557 7.062 8.702 1.00 13.13 H new ATOM 0 HB2 MET A 11 -7.197 8.516 6.697 1.00 22.04 H new ATOM 0 HB3 MET A 11 -6.983 7.096 5.693 1.00 22.04 H new ATOM 0 HG2 MET A 11 -8.837 5.998 6.596 1.00 44.21 H new ATOM 0 HG3 MET A 11 -8.789 6.913 8.090 1.00 44.21 H new ATOM 0 HE1 MET A 11 -11.558 9.145 7.739 1.00 55.43 H new ATOM 0 HE2 MET A 11 -11.832 7.397 7.549 1.00 55.43 H new ATOM 0 HE3 MET A 11 -10.558 7.985 8.644 1.00 55.43 H new ATOM 152 N ALA A 12 -5.356 5.006 6.408 1.00 11.32 N ATOM 153 CA ALA A 12 -5.122 3.600 6.106 1.00 54.15 C ATOM 154 C ALA A 12 -4.429 2.896 7.267 1.00 73.32 C ATOM 155 O ALA A 12 -4.784 1.773 7.626 1.00 52.14 O ATOM 156 CB ALA A 12 -4.296 3.464 4.834 1.00 4.22 C ATOM 0 H ALA A 12 -4.957 5.655 5.730 1.00 11.32 H new ATOM 0 HA ALA A 12 -6.089 3.121 5.952 1.00 54.15 H new ATOM 0 HB1 ALA A 12 -4.129 2.408 4.620 1.00 4.22 H new ATOM 0 HB2 ALA A 12 -4.831 3.922 4.002 1.00 4.22 H new ATOM 0 HB3 ALA A 12 -3.337 3.964 4.968 1.00 4.22 H new ATOM 162 N ILE A 13 -3.438 3.563 7.850 1.00 71.11 N ATOM 163 CA ILE A 13 -2.696 3.000 8.971 1.00 31.02 C ATOM 164 C ILE A 13 -3.596 2.814 10.188 1.00 24.03 C ATOM 165 O ILE A 13 -3.660 1.729 10.768 1.00 43.42 O ATOM 166 CB ILE A 13 -1.503 3.893 9.361 1.00 33.53 C ATOM 167 CG1 ILE A 13 -0.546 4.046 8.178 1.00 43.52 C ATOM 168 CG2 ILE A 13 -0.777 3.311 10.565 1.00 50.11 C ATOM 169 CD1 ILE A 13 0.113 2.751 7.761 1.00 70.34 C ATOM 0 H ILE A 13 -3.131 4.493 7.565 1.00 71.11 H new ATOM 0 HA ILE A 13 -2.322 2.029 8.646 1.00 31.02 H new ATOM 0 HB ILE A 13 -1.879 4.880 9.631 1.00 33.53 H new ATOM 0 HG12 ILE A 13 -1.094 4.455 7.329 1.00 43.52 H new ATOM 0 HG13 ILE A 13 0.226 4.770 8.438 1.00 43.52 H new ATOM 0 HG21 ILE A 13 0.063 3.953 10.828 1.00 50.11 H new ATOM 0 HG22 ILE A 13 -1.464 3.248 11.409 1.00 50.11 H new ATOM 0 HG23 ILE A 13 -0.409 2.314 10.321 1.00 50.11 H new ATOM 0 HD11 ILE A 13 0.778 2.936 6.917 1.00 70.34 H new ATOM 0 HD12 ILE A 13 0.689 2.351 8.595 1.00 70.34 H new ATOM 0 HD13 ILE A 13 -0.652 2.031 7.469 1.00 70.34 H new ATOM 181 N LYS A 14 -4.292 3.879 10.571 1.00 52.22 N ATOM 182 CA LYS A 14 -5.192 3.834 11.717 1.00 33.35 C ATOM 183 C LYS A 14 -6.267 2.768 11.524 1.00 40.43 C ATOM 184 O LYS A 14 -6.505 1.946 12.409 1.00 12.23 O ATOM 185 CB LYS A 14 -5.847 5.200 11.931 1.00 3.44 C ATOM 186 CG LYS A 14 -4.968 6.185 12.684 1.00 55.11 C ATOM 187 CD LYS A 14 -5.789 7.072 13.607 1.00 63.45 C ATOM 188 CE LYS A 14 -6.268 8.326 12.892 1.00 53.22 C ATOM 189 NZ LYS A 14 -6.155 9.534 13.755 1.00 24.34 N ATOM 0 H LYS A 14 -4.250 4.785 10.104 1.00 52.22 H new ATOM 0 HA LYS A 14 -4.604 3.577 12.598 1.00 33.35 H new ATOM 0 HB2 LYS A 14 -6.107 5.625 10.961 1.00 3.44 H new ATOM 0 HB3 LYS A 14 -6.779 5.065 12.480 1.00 3.44 H new ATOM 0 HG2 LYS A 14 -4.226 5.640 13.267 1.00 55.11 H new ATOM 0 HG3 LYS A 14 -4.422 6.805 11.973 1.00 55.11 H new ATOM 0 HD2 LYS A 14 -6.648 6.514 13.981 1.00 63.45 H new ATOM 0 HD3 LYS A 14 -5.189 7.352 14.473 1.00 63.45 H new ATOM 0 HE2 LYS A 14 -5.683 8.472 11.984 1.00 53.22 H new ATOM 0 HE3 LYS A 14 -7.306 8.195 12.585 1.00 53.22 H new ATOM 0 HZ1 LYS A 14 -6.491 10.367 13.231 1.00 24.34 H new ATOM 0 HZ2 LYS A 14 -6.733 9.405 14.610 1.00 24.34 H new ATOM 0 HZ3 LYS A 14 -5.161 9.674 14.028 1.00 24.34 H new ATOM 203 N ARG A 15 -6.911 2.788 10.362 1.00 24.41 N ATOM 204 CA ARG A 15 -7.960 1.823 10.053 1.00 62.00 C ATOM 205 C ARG A 15 -7.402 0.403 10.029 1.00 3.42 C ATOM 206 O ARG A 15 -7.959 -0.505 10.649 1.00 53.42 O ATOM 207 CB ARG A 15 -8.604 2.152 8.705 1.00 5.31 C ATOM 208 CG ARG A 15 -9.936 2.873 8.826 1.00 24.24 C ATOM 209 CD ARG A 15 -9.839 4.309 8.336 1.00 52.24 C ATOM 210 NE ARG A 15 -11.040 5.077 8.651 1.00 0.43 N ATOM 211 CZ ARG A 15 -11.296 5.581 9.854 1.00 51.44 C ATOM 212 NH1 ARG A 15 -10.439 5.399 10.849 1.00 72.44 N ATOM 213 NH2 ARG A 15 -12.411 6.270 10.063 1.00 73.15 N ATOM 0 H ARG A 15 -6.725 3.462 9.619 1.00 24.41 H new ATOM 0 HA ARG A 15 -8.717 1.884 10.834 1.00 62.00 H new ATOM 0 HB2 ARG A 15 -7.918 2.769 8.125 1.00 5.31 H new ATOM 0 HB3 ARG A 15 -8.750 1.227 8.147 1.00 5.31 H new ATOM 0 HG2 ARG A 15 -10.693 2.341 8.249 1.00 24.24 H new ATOM 0 HG3 ARG A 15 -10.263 2.864 9.866 1.00 24.24 H new ATOM 0 HD2 ARG A 15 -8.972 4.789 8.790 1.00 52.24 H new ATOM 0 HD3 ARG A 15 -9.678 4.314 7.258 1.00 52.24 H new ATOM 0 HE ARG A 15 -11.720 5.235 7.907 1.00 0.43 H new ATOM 0 HH11 ARG A 15 -9.580 4.871 10.692 1.00 72.44 H new ATOM 0 HH12 ARG A 15 -10.638 5.787 11.771 1.00 72.44 H new ATOM 0 HH21 ARG A 15 -13.073 6.413 9.300 1.00 73.15 H new ATOM 0 HH22 ARG A 15 -12.606 6.656 10.987 1.00 73.15 H new ATOM 227 N CYS A 16 -6.299 0.219 9.312 1.00 60.52 N ATOM 228 CA CYS A 16 -5.666 -1.091 9.206 1.00 22.42 C ATOM 229 C CYS A 16 -5.403 -1.682 10.588 1.00 44.44 C ATOM 230 O CYS A 16 -5.462 -2.896 10.777 1.00 30.32 O ATOM 231 CB CYS A 16 -4.356 -0.987 8.424 1.00 1.15 C ATOM 232 SG CYS A 16 -3.569 -2.578 8.086 1.00 65.30 S ATOM 0 H CYS A 16 -5.825 0.960 8.796 1.00 60.52 H new ATOM 0 HA CYS A 16 -6.347 -1.753 8.672 1.00 22.42 H new ATOM 0 HB2 CYS A 16 -4.549 -0.481 7.478 1.00 1.15 H new ATOM 0 HB3 CYS A 16 -3.660 -0.361 8.983 1.00 1.15 H new ATOM 0 HG CYS A 16 -2.470 -2.385 7.419 1.00 65.30 H new ATOM 238 N SER A 17 -5.110 -0.812 11.550 1.00 71.23 N ATOM 239 CA SER A 17 -4.831 -1.247 12.914 1.00 74.14 C ATOM 240 C SER A 17 -5.996 -2.060 13.473 1.00 43.15 C ATOM 241 O SER A 17 -5.819 -2.881 14.373 1.00 44.50 O ATOM 242 CB SER A 17 -4.560 -0.039 13.812 1.00 43.41 C ATOM 243 OG SER A 17 -3.596 0.821 13.231 1.00 51.22 O ATOM 0 H SER A 17 -5.060 0.197 11.410 1.00 71.23 H new ATOM 0 HA SER A 17 -3.944 -1.881 12.893 1.00 74.14 H new ATOM 0 HB2 SER A 17 -5.487 0.509 13.979 1.00 43.41 H new ATOM 0 HB3 SER A 17 -4.209 -0.378 14.787 1.00 43.41 H new ATOM 0 HG SER A 17 -4.002 1.312 12.486 1.00 51.22 H new ATOM 249 N ASN A 18 -7.187 -1.825 12.933 1.00 4.51 N ATOM 250 CA ASN A 18 -8.381 -2.533 13.377 1.00 21.41 C ATOM 251 C ASN A 18 -8.468 -3.912 12.731 1.00 40.14 C ATOM 252 O ASN A 18 -9.107 -4.820 13.262 1.00 22.40 O ATOM 253 CB ASN A 18 -9.635 -1.722 13.045 1.00 1.43 C ATOM 254 CG ASN A 18 -10.890 -2.327 13.642 1.00 13.01 C ATOM 255 OD1 ASN A 18 -11.121 -2.242 14.849 1.00 44.15 O ATOM 256 ND2 ASN A 18 -11.710 -2.942 12.798 1.00 52.45 N ATOM 0 H ASN A 18 -7.351 -1.149 12.187 1.00 4.51 H new ATOM 0 HA ASN A 18 -8.315 -2.661 14.457 1.00 21.41 H new ATOM 0 HB2 ASN A 18 -9.514 -0.704 13.415 1.00 1.43 H new ATOM 0 HB3 ASN A 18 -9.746 -1.657 11.963 1.00 1.43 H new ATOM 0 HD21 ASN A 18 -12.571 -3.368 13.142 1.00 52.45 H new ATOM 0 HD22 ASN A 18 -11.479 -2.989 11.806 1.00 52.45 H new ATOM 263 N VAL A 19 -7.820 -4.061 11.580 1.00 74.23 N ATOM 264 CA VAL A 19 -7.822 -5.330 10.860 1.00 33.00 C ATOM 265 C VAL A 19 -7.417 -6.480 11.774 1.00 75.45 C ATOM 266 O VAL A 19 -6.471 -6.365 12.553 1.00 54.40 O ATOM 267 CB VAL A 19 -6.871 -5.290 9.649 1.00 24.32 C ATOM 268 CG1 VAL A 19 -6.860 -6.632 8.933 1.00 15.14 C ATOM 269 CG2 VAL A 19 -7.267 -4.172 8.698 1.00 40.24 C ATOM 0 H VAL A 19 -7.287 -3.319 11.126 1.00 74.23 H new ATOM 0 HA VAL A 19 -8.840 -5.492 10.507 1.00 33.00 H new ATOM 0 HB VAL A 19 -5.862 -5.090 10.008 1.00 24.32 H new ATOM 0 HG11 VAL A 19 -6.183 -6.584 8.080 1.00 15.14 H new ATOM 0 HG12 VAL A 19 -6.524 -7.408 9.620 1.00 15.14 H new ATOM 0 HG13 VAL A 19 -7.866 -6.867 8.584 1.00 15.14 H new ATOM 0 HG21 VAL A 19 -6.584 -4.158 7.848 1.00 40.24 H new ATOM 0 HG22 VAL A 19 -8.284 -4.339 8.344 1.00 40.24 H new ATOM 0 HG23 VAL A 19 -7.217 -3.216 9.219 1.00 40.24 H new ATOM 279 N ALA A 20 -8.139 -7.592 11.672 1.00 43.21 N ATOM 280 CA ALA A 20 -7.853 -8.766 12.487 1.00 33.11 C ATOM 281 C ALA A 20 -7.032 -9.788 11.709 1.00 30.23 C ATOM 282 O ALA A 20 -7.573 -10.565 10.923 1.00 75.01 O ATOM 283 CB ALA A 20 -9.148 -9.393 12.982 1.00 2.44 C ATOM 0 H ALA A 20 -8.926 -7.704 11.033 1.00 43.21 H new ATOM 0 HA ALA A 20 -7.265 -8.446 13.347 1.00 33.11 H new ATOM 0 HB1 ALA A 20 -8.919 -10.269 13.589 1.00 2.44 H new ATOM 0 HB2 ALA A 20 -9.697 -8.668 13.583 1.00 2.44 H new ATOM 0 HB3 ALA A 20 -9.757 -9.692 12.129 1.00 2.44 H new ATOM 289 N VAL A 21 -5.721 -9.782 11.933 1.00 31.13 N ATOM 290 CA VAL A 21 -4.825 -10.709 11.253 1.00 13.30 C ATOM 291 C VAL A 21 -5.211 -12.156 11.539 1.00 40.11 C ATOM 292 O VAL A 21 -4.936 -13.052 10.742 1.00 53.12 O ATOM 293 CB VAL A 21 -3.361 -10.487 11.677 1.00 70.01 C ATOM 294 CG1 VAL A 21 -2.422 -11.303 10.802 1.00 33.11 C ATOM 295 CG2 VAL A 21 -3.008 -9.008 11.617 1.00 73.14 C ATOM 0 H VAL A 21 -5.257 -9.145 12.580 1.00 31.13 H new ATOM 0 HA VAL A 21 -4.920 -10.515 10.185 1.00 13.30 H new ATOM 0 HB VAL A 21 -3.244 -10.824 12.707 1.00 70.01 H new ATOM 0 HG11 VAL A 21 -1.392 -11.133 11.116 1.00 33.11 H new ATOM 0 HG12 VAL A 21 -2.662 -12.362 10.900 1.00 33.11 H new ATOM 0 HG13 VAL A 21 -2.538 -10.999 9.762 1.00 33.11 H new ATOM 0 HG21 VAL A 21 -1.970 -8.869 11.920 1.00 73.14 H new ATOM 0 HG22 VAL A 21 -3.141 -8.643 10.598 1.00 73.14 H new ATOM 0 HG23 VAL A 21 -3.660 -8.451 12.290 1.00 73.14 H new ATOM 305 N GLY A 22 -5.852 -12.377 12.683 1.00 53.23 N ATOM 306 CA GLY A 22 -6.267 -13.717 13.054 1.00 40.22 C ATOM 307 C GLY A 22 -7.770 -13.898 12.987 1.00 30.30 C ATOM 308 O GLY A 22 -8.506 -13.357 13.813 1.00 45.14 O ATOM 0 H GLY A 22 -6.091 -11.652 13.359 1.00 53.23 H new ATOM 0 HA2 GLY A 22 -5.787 -14.439 12.393 1.00 40.22 H new ATOM 0 HA3 GLY A 22 -5.923 -13.934 14.065 1.00 40.22 H new ATOM 312 N VAL A 23 -8.229 -14.661 12.001 1.00 74.01 N ATOM 313 CA VAL A 23 -9.656 -14.912 11.828 1.00 63.11 C ATOM 314 C VAL A 23 -10.251 -15.570 13.068 1.00 60.30 C ATOM 315 O VAL A 23 -11.445 -15.444 13.338 1.00 30.10 O ATOM 316 CB VAL A 23 -9.924 -15.809 10.606 1.00 32.30 C ATOM 317 CG1 VAL A 23 -9.439 -15.136 9.332 1.00 40.43 C ATOM 318 CG2 VAL A 23 -9.263 -17.167 10.786 1.00 43.01 C ATOM 0 H VAL A 23 -7.634 -15.117 11.309 1.00 74.01 H new ATOM 0 HA VAL A 23 -10.131 -13.944 11.669 1.00 63.11 H new ATOM 0 HB VAL A 23 -11.000 -15.963 10.520 1.00 32.30 H new ATOM 0 HG11 VAL A 23 -9.637 -15.785 8.479 1.00 40.43 H new ATOM 0 HG12 VAL A 23 -9.964 -14.190 9.198 1.00 40.43 H new ATOM 0 HG13 VAL A 23 -8.368 -14.949 9.404 1.00 40.43 H new ATOM 0 HG21 VAL A 23 -9.463 -17.788 9.913 1.00 43.01 H new ATOM 0 HG22 VAL A 23 -8.187 -17.036 10.899 1.00 43.01 H new ATOM 0 HG23 VAL A 23 -9.665 -17.652 11.676 1.00 43.01 H new ATOM 328 N GLY A 24 -9.410 -16.272 13.821 1.00 62.03 N ATOM 329 CA GLY A 24 -9.871 -16.939 15.025 1.00 54.20 C ATOM 330 C GLY A 24 -8.730 -17.495 15.853 1.00 74.43 C ATOM 331 O GLY A 24 -7.742 -17.988 15.310 1.00 53.42 O ATOM 0 H GLY A 24 -8.417 -16.391 13.619 1.00 62.03 H new ATOM 0 HA2 GLY A 24 -10.445 -16.236 15.629 1.00 54.20 H new ATOM 0 HA3 GLY A 24 -10.546 -17.750 14.752 1.00 54.20 H new ATOM 335 N GLY A 25 -8.866 -17.417 17.173 1.00 43.21 N ATOM 336 CA GLY A 25 -7.830 -17.919 18.057 1.00 70.24 C ATOM 337 C GLY A 25 -7.087 -16.807 18.770 1.00 12.14 C ATOM 338 O GLY A 25 -7.691 -16.004 19.482 1.00 22.12 O ATOM 0 H GLY A 25 -9.675 -17.015 17.646 1.00 43.21 H new ATOM 0 HA2 GLY A 25 -8.278 -18.584 18.795 1.00 70.24 H new ATOM 0 HA3 GLY A 25 -7.121 -18.514 17.480 1.00 70.24 H new ATOM 342 N LYS A 26 -5.772 -16.759 18.582 1.00 54.21 N ATOM 343 CA LYS A 26 -4.945 -15.738 19.214 1.00 54.04 C ATOM 344 C LYS A 26 -5.203 -14.368 18.592 1.00 70.41 C ATOM 345 O LYS A 26 -5.079 -14.193 17.380 1.00 32.45 O ATOM 346 CB LYS A 26 -3.464 -16.099 19.081 1.00 31.34 C ATOM 347 CG LYS A 26 -2.840 -16.593 20.375 1.00 35.50 C ATOM 348 CD LYS A 26 -1.561 -17.371 20.116 1.00 31.32 C ATOM 349 CE LYS A 26 -0.412 -16.446 19.746 1.00 21.42 C ATOM 350 NZ LYS A 26 0.548 -16.276 20.872 1.00 15.11 N ATOM 0 H LYS A 26 -5.256 -17.416 17.997 1.00 54.21 H new ATOM 0 HA LYS A 26 -5.209 -15.694 20.271 1.00 54.04 H new ATOM 0 HB2 LYS A 26 -3.353 -16.869 18.317 1.00 31.34 H new ATOM 0 HB3 LYS A 26 -2.915 -15.224 18.734 1.00 31.34 H new ATOM 0 HG2 LYS A 26 -2.625 -15.744 21.024 1.00 35.50 H new ATOM 0 HG3 LYS A 26 -3.552 -17.227 20.904 1.00 35.50 H new ATOM 0 HD2 LYS A 26 -1.296 -17.944 21.004 1.00 31.32 H new ATOM 0 HD3 LYS A 26 -1.726 -18.088 19.312 1.00 31.32 H new ATOM 0 HE2 LYS A 26 0.113 -16.847 18.879 1.00 21.42 H new ATOM 0 HE3 LYS A 26 -0.808 -15.473 19.456 1.00 21.42 H new ATOM 0 HZ1 LYS A 26 1.316 -15.639 20.580 1.00 15.11 H new ATOM 0 HZ2 LYS A 26 0.053 -15.869 21.691 1.00 15.11 H new ATOM 0 HZ3 LYS A 26 0.946 -17.201 21.132 1.00 15.11 H new ATOM 364 N SER A 27 -5.559 -13.401 19.431 1.00 12.05 N ATOM 365 CA SER A 27 -5.836 -12.048 18.964 1.00 52.34 C ATOM 366 C SER A 27 -4.578 -11.402 18.392 1.00 70.32 C ATOM 367 O SER A 27 -3.477 -11.590 18.912 1.00 14.42 O ATOM 368 CB SER A 27 -6.386 -11.193 20.107 1.00 75.34 C ATOM 369 OG SER A 27 -5.340 -10.709 20.931 1.00 13.41 O ATOM 0 H SER A 27 -5.662 -13.529 20.438 1.00 12.05 H new ATOM 0 HA SER A 27 -6.584 -12.110 18.173 1.00 52.34 H new ATOM 0 HB2 SER A 27 -6.950 -10.354 19.699 1.00 75.34 H new ATOM 0 HB3 SER A 27 -7.081 -11.783 20.705 1.00 75.34 H new ATOM 0 HG SER A 27 -5.718 -10.164 21.653 1.00 13.41 H new ATOM 375 N LYS A 28 -4.748 -10.641 17.316 1.00 42.14 N ATOM 376 CA LYS A 28 -3.627 -9.966 16.671 1.00 23.05 C ATOM 377 C LYS A 28 -4.119 -9.000 15.598 1.00 71.35 C ATOM 378 O LYS A 28 -4.603 -9.420 14.546 1.00 10.51 O ATOM 379 CB LYS A 28 -2.675 -10.991 16.054 1.00 43.04 C ATOM 380 CG LYS A 28 -1.306 -10.423 15.717 1.00 63.35 C ATOM 381 CD LYS A 28 -0.205 -11.444 15.958 1.00 11.32 C ATOM 382 CE LYS A 28 1.118 -10.985 15.364 1.00 21.22 C ATOM 383 NZ LYS A 28 1.274 -11.426 13.950 1.00 21.51 N ATOM 0 H LYS A 28 -5.651 -10.476 16.872 1.00 42.14 H new ATOM 0 HA LYS A 28 -3.092 -9.395 17.430 1.00 23.05 H new ATOM 0 HB2 LYS A 28 -2.553 -11.824 16.746 1.00 43.04 H new ATOM 0 HB3 LYS A 28 -3.126 -11.393 15.147 1.00 43.04 H new ATOM 0 HG2 LYS A 28 -1.289 -10.107 14.674 1.00 63.35 H new ATOM 0 HG3 LYS A 28 -1.120 -9.536 16.322 1.00 63.35 H new ATOM 0 HD2 LYS A 28 -0.087 -11.608 17.029 1.00 11.32 H new ATOM 0 HD3 LYS A 28 -0.491 -12.400 15.519 1.00 11.32 H new ATOM 0 HE2 LYS A 28 1.181 -9.898 15.414 1.00 21.22 H new ATOM 0 HE3 LYS A 28 1.940 -11.380 15.960 1.00 21.22 H new ATOM 0 HZ1 LYS A 28 2.188 -11.094 13.581 1.00 21.51 H new ATOM 0 HZ2 LYS A 28 1.239 -12.464 13.904 1.00 21.51 H new ATOM 0 HZ3 LYS A 28 0.504 -11.028 13.375 1.00 21.51 H new ATOM 397 N LYS A 29 -3.991 -7.706 15.868 1.00 41.21 N ATOM 398 CA LYS A 29 -4.419 -6.681 14.924 1.00 13.13 C ATOM 399 C LYS A 29 -3.226 -6.101 14.170 1.00 24.53 C ATOM 400 O LYS A 29 -2.096 -6.131 14.660 1.00 24.44 O ATOM 401 CB LYS A 29 -5.164 -5.563 15.658 1.00 42.45 C ATOM 402 CG LYS A 29 -6.643 -5.494 15.319 1.00 51.10 C ATOM 403 CD LYS A 29 -7.425 -4.749 16.387 1.00 21.34 C ATOM 404 CE LYS A 29 -8.756 -5.427 16.679 1.00 43.31 C ATOM 405 NZ LYS A 29 -9.460 -4.795 17.829 1.00 62.01 N ATOM 0 H LYS A 29 -3.594 -7.342 16.734 1.00 41.21 H new ATOM 0 HA LYS A 29 -5.091 -7.146 14.202 1.00 13.13 H new ATOM 0 HB2 LYS A 29 -5.052 -5.708 16.733 1.00 42.45 H new ATOM 0 HB3 LYS A 29 -4.699 -4.608 15.415 1.00 42.45 H new ATOM 0 HG2 LYS A 29 -6.774 -4.997 14.358 1.00 51.10 H new ATOM 0 HG3 LYS A 29 -7.041 -6.503 15.213 1.00 51.10 H new ATOM 0 HD2 LYS A 29 -6.834 -4.696 17.301 1.00 21.34 H new ATOM 0 HD3 LYS A 29 -7.601 -3.724 16.062 1.00 21.34 H new ATOM 0 HE2 LYS A 29 -9.390 -5.378 15.794 1.00 43.31 H new ATOM 0 HE3 LYS A 29 -8.587 -6.482 16.892 1.00 43.31 H new ATOM 0 HZ1 LYS A 29 -10.362 -5.285 17.996 1.00 62.01 H new ATOM 0 HZ2 LYS A 29 -8.866 -4.864 18.680 1.00 62.01 H new ATOM 0 HZ3 LYS A 29 -9.644 -3.794 17.615 1.00 62.01 H new ATOM 419 N PHE A 30 -3.483 -5.574 12.979 1.00 32.12 N ATOM 420 CA PHE A 30 -2.430 -4.988 12.158 1.00 65.00 C ATOM 421 C PHE A 30 -1.849 -3.745 12.826 1.00 13.22 C ATOM 422 O PHE A 30 -2.228 -3.392 13.942 1.00 53.13 O ATOM 423 CB PHE A 30 -2.973 -4.631 10.773 1.00 41.25 C ATOM 424 CG PHE A 30 -2.420 -5.491 9.673 1.00 42.53 C ATOM 425 CD1 PHE A 30 -1.052 -5.651 9.522 1.00 23.40 C ATOM 426 CD2 PHE A 30 -3.268 -6.137 8.789 1.00 60.05 C ATOM 427 CE1 PHE A 30 -0.540 -6.442 8.510 1.00 3.04 C ATOM 428 CE2 PHE A 30 -2.762 -6.930 7.775 1.00 3.33 C ATOM 429 CZ PHE A 30 -1.396 -7.081 7.635 1.00 2.42 C ATOM 0 H PHE A 30 -4.412 -5.540 12.560 1.00 32.12 H new ATOM 0 HA PHE A 30 -1.635 -5.726 12.049 1.00 65.00 H new ATOM 0 HB2 PHE A 30 -4.059 -4.721 10.783 1.00 41.25 H new ATOM 0 HB3 PHE A 30 -2.742 -3.588 10.559 1.00 41.25 H new ATOM 0 HD1 PHE A 30 -0.378 -5.152 10.203 1.00 23.40 H new ATOM 0 HD2 PHE A 30 -4.337 -6.020 8.893 1.00 60.05 H new ATOM 0 HE1 PHE A 30 0.528 -6.560 8.404 1.00 3.04 H new ATOM 0 HE2 PHE A 30 -3.434 -7.431 7.094 1.00 3.33 H new ATOM 0 HZ PHE A 30 -0.998 -7.698 6.843 1.00 2.42 H new ATOM 439 N GLY A 31 -0.927 -3.085 12.132 1.00 3.24 N ATOM 440 CA GLY A 31 -0.308 -1.888 12.673 1.00 64.41 C ATOM 441 C GLY A 31 0.678 -1.258 11.709 1.00 31.31 C ATOM 442 O GLY A 31 1.037 -1.861 10.697 1.00 35.21 O ATOM 0 H GLY A 31 -0.598 -3.357 11.206 1.00 3.24 H new ATOM 0 HA2 GLY A 31 -1.083 -1.163 12.921 1.00 64.41 H new ATOM 0 HA3 GLY A 31 0.205 -2.136 13.602 1.00 64.41 H new ATOM 446 N GLU A 32 1.114 -0.042 12.020 1.00 11.33 N ATOM 447 CA GLU A 32 2.061 0.670 11.171 1.00 63.12 C ATOM 448 C GLU A 32 3.347 -0.134 10.997 1.00 14.24 C ATOM 449 O GLU A 32 3.909 -0.196 9.905 1.00 63.33 O ATOM 450 CB GLU A 32 2.382 2.043 11.766 1.00 21.23 C ATOM 451 CG GLU A 32 2.881 1.984 13.201 1.00 73.34 C ATOM 452 CD GLU A 32 3.042 3.357 13.819 1.00 12.51 C ATOM 453 OE1 GLU A 32 2.726 3.509 15.019 1.00 44.25 O ATOM 454 OE2 GLU A 32 3.483 4.282 13.105 1.00 10.42 O ATOM 0 H GLU A 32 0.827 0.471 12.854 1.00 11.33 H new ATOM 0 HA GLU A 32 1.601 0.805 10.192 1.00 63.12 H new ATOM 0 HB2 GLU A 32 3.136 2.530 11.148 1.00 21.23 H new ATOM 0 HB3 GLU A 32 1.488 2.665 11.727 1.00 21.23 H new ATOM 0 HG2 GLU A 32 2.183 1.399 13.801 1.00 73.34 H new ATOM 0 HG3 GLU A 32 3.838 1.463 13.228 1.00 73.34 H new ATOM 461 N GLY A 33 3.807 -0.747 12.083 1.00 31.34 N ATOM 462 CA GLY A 33 5.022 -1.538 12.030 1.00 2.15 C ATOM 463 C GLY A 33 4.890 -2.743 11.121 1.00 4.10 C ATOM 464 O GLY A 33 5.708 -2.944 10.223 1.00 23.13 O ATOM 0 H GLY A 33 3.360 -0.710 12.999 1.00 31.34 H new ATOM 0 HA2 GLY A 33 5.844 -0.913 11.682 1.00 2.15 H new ATOM 0 HA3 GLY A 33 5.279 -1.872 13.035 1.00 2.15 H new ATOM 468 N ASN A 34 3.860 -3.549 11.355 1.00 55.32 N ATOM 469 CA ASN A 34 3.625 -4.743 10.550 1.00 42.23 C ATOM 470 C ASN A 34 3.476 -4.384 9.075 1.00 1.43 C ATOM 471 O ASN A 34 4.105 -4.993 8.210 1.00 41.24 O ATOM 472 CB ASN A 34 2.373 -5.474 11.038 1.00 41.00 C ATOM 473 CG ASN A 34 2.403 -5.739 12.531 1.00 13.14 C ATOM 474 OD1 ASN A 34 3.197 -6.546 13.014 1.00 52.55 O ATOM 475 ND2 ASN A 34 1.535 -5.058 13.271 1.00 75.42 N ATOM 0 H ASN A 34 3.175 -3.398 12.095 1.00 55.32 H new ATOM 0 HA ASN A 34 4.487 -5.401 10.660 1.00 42.23 H new ATOM 0 HB2 ASN A 34 1.491 -4.881 10.795 1.00 41.00 H new ATOM 0 HB3 ASN A 34 2.277 -6.420 10.506 1.00 41.00 H new ATOM 0 HD21 ASN A 34 1.509 -5.194 14.282 1.00 75.42 H new ATOM 0 HD22 ASN A 34 0.895 -4.399 12.829 1.00 75.42 H new ATOM 482 N PHE A 35 2.638 -3.391 8.795 1.00 40.23 N ATOM 483 CA PHE A 35 2.406 -2.950 7.424 1.00 12.05 C ATOM 484 C PHE A 35 3.723 -2.627 6.726 1.00 33.01 C ATOM 485 O PHE A 35 3.927 -2.984 5.565 1.00 21.04 O ATOM 486 CB PHE A 35 1.492 -1.722 7.409 1.00 71.34 C ATOM 487 CG PHE A 35 1.372 -1.083 6.056 1.00 54.43 C ATOM 488 CD1 PHE A 35 1.127 -1.852 4.930 1.00 53.14 C ATOM 489 CD2 PHE A 35 1.503 0.289 5.909 1.00 22.30 C ATOM 490 CE1 PHE A 35 1.015 -1.266 3.683 1.00 12.40 C ATOM 491 CE2 PHE A 35 1.392 0.880 4.665 1.00 13.43 C ATOM 492 CZ PHE A 35 1.149 0.103 3.550 1.00 61.51 C ATOM 0 H PHE A 35 2.108 -2.877 9.499 1.00 40.23 H new ATOM 0 HA PHE A 35 1.920 -3.763 6.884 1.00 12.05 H new ATOM 0 HB2 PHE A 35 0.500 -2.013 7.754 1.00 71.34 H new ATOM 0 HB3 PHE A 35 1.873 -0.986 8.117 1.00 71.34 H new ATOM 0 HD1 PHE A 35 1.022 -2.922 5.028 1.00 53.14 H new ATOM 0 HD2 PHE A 35 1.694 0.903 6.777 1.00 22.30 H new ATOM 0 HE1 PHE A 35 0.823 -1.877 2.814 1.00 12.40 H new ATOM 0 HE2 PHE A 35 1.495 1.950 4.565 1.00 13.43 H new ATOM 0 HZ PHE A 35 1.064 0.564 2.577 1.00 61.51 H new ATOM 502 N ARG A 36 4.613 -1.948 7.441 1.00 43.31 N ATOM 503 CA ARG A 36 5.911 -1.573 6.890 1.00 63.40 C ATOM 504 C ARG A 36 6.758 -2.811 6.606 1.00 2.03 C ATOM 505 O ARG A 36 7.423 -2.896 5.575 1.00 62.24 O ATOM 506 CB ARG A 36 6.650 -0.646 7.856 1.00 44.22 C ATOM 507 CG ARG A 36 5.961 0.692 8.063 1.00 25.23 C ATOM 508 CD ARG A 36 6.605 1.787 7.229 1.00 42.33 C ATOM 509 NE ARG A 36 6.065 3.106 7.544 1.00 30.14 N ATOM 510 CZ ARG A 36 6.363 3.777 8.651 1.00 33.24 C ATOM 511 NH1 ARG A 36 7.192 3.254 9.544 1.00 12.45 N ATOM 512 NH2 ARG A 36 5.829 4.973 8.867 1.00 44.20 N ATOM 0 H ARG A 36 4.460 -1.646 8.403 1.00 43.31 H new ATOM 0 HA ARG A 36 5.742 -1.046 5.951 1.00 63.40 H new ATOM 0 HB2 ARG A 36 6.752 -1.146 8.819 1.00 44.22 H new ATOM 0 HB3 ARG A 36 7.658 -0.472 7.479 1.00 44.22 H new ATOM 0 HG2 ARG A 36 4.907 0.604 7.798 1.00 25.23 H new ATOM 0 HG3 ARG A 36 6.003 0.964 9.118 1.00 25.23 H new ATOM 0 HD2 ARG A 36 7.682 1.786 7.399 1.00 42.33 H new ATOM 0 HD3 ARG A 36 6.450 1.575 6.171 1.00 42.33 H new ATOM 0 HE ARG A 36 5.424 3.536 6.878 1.00 30.14 H new ATOM 0 HH11 ARG A 36 7.602 2.334 9.382 1.00 12.45 H new ATOM 0 HH12 ARG A 36 7.419 3.771 10.393 1.00 12.45 H new ATOM 0 HH21 ARG A 36 5.190 5.377 8.183 1.00 44.20 H new ATOM 0 HH22 ARG A 36 6.058 5.488 9.717 1.00 44.20 H new ATOM 526 N TRP A 37 6.729 -3.765 7.529 1.00 23.43 N ATOM 527 CA TRP A 37 7.494 -4.997 7.378 1.00 24.25 C ATOM 528 C TRP A 37 7.082 -5.744 6.115 1.00 1.23 C ATOM 529 O TRP A 37 7.899 -6.414 5.484 1.00 22.21 O ATOM 530 CB TRP A 37 7.301 -5.896 8.602 1.00 10.23 C ATOM 531 CG TRP A 37 7.863 -7.273 8.423 1.00 42.51 C ATOM 532 CD1 TRP A 37 9.070 -7.730 8.871 1.00 12.32 C ATOM 533 CD2 TRP A 37 7.243 -8.371 7.746 1.00 32.11 C ATOM 534 NE1 TRP A 37 9.237 -9.046 8.514 1.00 71.24 N ATOM 535 CE2 TRP A 37 8.129 -9.462 7.823 1.00 62.44 C ATOM 536 CE3 TRP A 37 6.023 -8.540 7.084 1.00 0.43 C ATOM 537 CZ2 TRP A 37 7.834 -10.702 7.262 1.00 61.22 C ATOM 538 CZ3 TRP A 37 5.732 -9.770 6.528 1.00 52.53 C ATOM 539 CH2 TRP A 37 6.634 -10.838 6.620 1.00 33.54 C ATOM 0 H TRP A 37 6.184 -3.709 8.390 1.00 23.43 H new ATOM 0 HA TRP A 37 8.548 -4.731 7.293 1.00 24.25 H new ATOM 0 HB2 TRP A 37 7.774 -5.428 9.465 1.00 10.23 H new ATOM 0 HB3 TRP A 37 6.236 -5.972 8.824 1.00 10.23 H new ATOM 0 HD1 TRP A 37 9.788 -7.143 9.425 1.00 12.32 H new ATOM 0 HE1 TRP A 37 10.053 -9.620 8.728 1.00 71.24 H new ATOM 0 HE3 TRP A 37 5.321 -7.723 7.009 1.00 0.43 H new ATOM 0 HZ2 TRP A 37 8.528 -11.527 7.331 1.00 61.22 H new ATOM 0 HZ3 TRP A 37 4.793 -9.911 6.013 1.00 52.53 H new ATOM 0 HH2 TRP A 37 6.377 -11.788 6.175 1.00 33.54 H new ATOM 550 N ALA A 38 5.811 -5.623 5.750 1.00 14.15 N ATOM 551 CA ALA A 38 5.291 -6.284 4.559 1.00 21.44 C ATOM 552 C ALA A 38 5.773 -5.588 3.291 1.00 74.42 C ATOM 553 O ALA A 38 6.404 -6.208 2.434 1.00 51.21 O ATOM 554 CB ALA A 38 3.771 -6.323 4.598 1.00 32.03 C ATOM 0 H ALA A 38 5.121 -5.073 6.262 1.00 14.15 H new ATOM 0 HA ALA A 38 5.669 -7.306 4.546 1.00 21.44 H new ATOM 0 HB1 ALA A 38 3.397 -6.819 3.703 1.00 32.03 H new ATOM 0 HB2 ALA A 38 3.444 -6.872 5.481 1.00 32.03 H new ATOM 0 HB3 ALA A 38 3.382 -5.306 4.638 1.00 32.03 H new ATOM 560 N ILE A 39 5.470 -4.300 3.177 1.00 72.00 N ATOM 561 CA ILE A 39 5.873 -3.521 2.012 1.00 31.12 C ATOM 562 C ILE A 39 7.390 -3.513 1.855 1.00 53.33 C ATOM 563 O ILE A 39 7.908 -3.584 0.740 1.00 24.31 O ATOM 564 CB ILE A 39 5.370 -2.068 2.106 1.00 41.02 C ATOM 565 CG1 ILE A 39 5.841 -1.264 0.892 1.00 13.32 C ATOM 566 CG2 ILE A 39 5.852 -1.422 3.396 1.00 64.05 C ATOM 567 CD1 ILE A 39 4.914 -0.127 0.524 1.00 33.23 C ATOM 0 H ILE A 39 4.947 -3.773 3.877 1.00 72.00 H new ATOM 0 HA ILE A 39 5.422 -3.997 1.141 1.00 31.12 H new ATOM 0 HB ILE A 39 4.280 -2.076 2.113 1.00 41.02 H new ATOM 0 HG12 ILE A 39 6.833 -0.862 1.096 1.00 13.32 H new ATOM 0 HG13 ILE A 39 5.938 -1.934 0.038 1.00 13.32 H new ATOM 0 HG21 ILE A 39 5.488 -0.396 3.447 1.00 64.05 H new ATOM 0 HG22 ILE A 39 5.472 -1.985 4.249 1.00 64.05 H new ATOM 0 HG23 ILE A 39 6.942 -1.422 3.418 1.00 64.05 H new ATOM 0 HD11 ILE A 39 5.310 0.399 -0.345 1.00 33.23 H new ATOM 0 HD12 ILE A 39 3.927 -0.524 0.289 1.00 33.23 H new ATOM 0 HD13 ILE A 39 4.836 0.565 1.363 1.00 33.23 H new ATOM 579 N ARG A 40 8.095 -3.427 2.977 1.00 64.51 N ATOM 580 CA ARG A 40 9.553 -3.411 2.964 1.00 44.30 C ATOM 581 C ARG A 40 10.107 -4.712 2.392 1.00 12.12 C ATOM 582 O ARG A 40 10.893 -4.701 1.447 1.00 51.55 O ATOM 583 CB ARG A 40 10.095 -3.191 4.378 1.00 53.34 C ATOM 584 CG ARG A 40 11.613 -3.205 4.458 1.00 50.24 C ATOM 585 CD ARG A 40 12.106 -2.653 5.786 1.00 34.02 C ATOM 586 NE ARG A 40 12.638 -3.702 6.650 1.00 21.42 N ATOM 587 CZ ARG A 40 12.882 -3.535 7.946 1.00 15.33 C ATOM 588 NH1 ARG A 40 12.642 -2.365 8.523 1.00 73.20 N ATOM 589 NH2 ARG A 40 13.366 -4.538 8.666 1.00 32.44 N ATOM 0 H ARG A 40 7.681 -3.367 3.907 1.00 64.51 H new ATOM 0 HA ARG A 40 9.876 -2.588 2.326 1.00 44.30 H new ATOM 0 HB2 ARG A 40 9.729 -2.236 4.754 1.00 53.34 H new ATOM 0 HB3 ARG A 40 9.698 -3.965 5.035 1.00 53.34 H new ATOM 0 HG2 ARG A 40 11.976 -4.225 4.329 1.00 50.24 H new ATOM 0 HG3 ARG A 40 12.027 -2.614 3.641 1.00 50.24 H new ATOM 0 HD2 ARG A 40 12.879 -1.907 5.604 1.00 34.02 H new ATOM 0 HD3 ARG A 40 11.286 -2.145 6.294 1.00 34.02 H new ATOM 0 HE ARG A 40 12.833 -4.614 6.237 1.00 21.42 H new ATOM 0 HH11 ARG A 40 12.270 -1.592 7.972 1.00 73.20 H new ATOM 0 HH12 ARG A 40 12.830 -2.239 9.518 1.00 73.20 H new ATOM 0 HH21 ARG A 40 13.552 -5.439 8.225 1.00 32.44 H new ATOM 0 HH22 ARG A 40 13.553 -4.408 9.660 1.00 32.44 H new ATOM 603 N MET A 41 9.689 -5.832 2.974 1.00 63.32 N ATOM 604 CA MET A 41 10.143 -7.143 2.521 1.00 4.34 C ATOM 605 C MET A 41 9.677 -7.417 1.095 1.00 34.14 C ATOM 606 O MET A 41 10.485 -7.701 0.211 1.00 34.45 O ATOM 607 CB MET A 41 9.628 -8.236 3.459 1.00 63.42 C ATOM 608 CG MET A 41 10.340 -8.271 4.801 1.00 22.21 C ATOM 609 SD MET A 41 11.205 -9.827 5.088 1.00 24.11 S ATOM 610 CE MET A 41 12.275 -9.889 3.652 1.00 33.15 C ATOM 0 H MET A 41 9.038 -5.858 3.759 1.00 63.32 H new ATOM 0 HA MET A 41 11.233 -7.148 2.534 1.00 4.34 H new ATOM 0 HB2 MET A 41 8.561 -8.086 3.627 1.00 63.42 H new ATOM 0 HB3 MET A 41 9.741 -9.204 2.972 1.00 63.42 H new ATOM 0 HG2 MET A 41 11.054 -7.449 4.851 1.00 22.21 H new ATOM 0 HG3 MET A 41 9.613 -8.111 5.598 1.00 22.21 H new ATOM 0 HE1 MET A 41 13.174 -10.457 3.892 1.00 33.15 H new ATOM 0 HE2 MET A 41 11.750 -10.372 2.828 1.00 33.15 H new ATOM 0 HE3 MET A 41 12.553 -8.876 3.361 1.00 33.15 H new ATOM 620 N ALA A 42 8.368 -7.330 0.879 1.00 61.21 N ATOM 621 CA ALA A 42 7.795 -7.567 -0.440 1.00 33.02 C ATOM 622 C ALA A 42 8.498 -6.731 -1.503 1.00 12.43 C ATOM 623 O ALA A 42 8.620 -7.147 -2.655 1.00 4.11 O ATOM 624 CB ALA A 42 6.303 -7.265 -0.430 1.00 21.13 C ATOM 0 H ALA A 42 7.685 -7.097 1.600 1.00 61.21 H new ATOM 0 HA ALA A 42 7.940 -8.619 -0.688 1.00 33.02 H new ATOM 0 HB1 ALA A 42 5.888 -7.446 -1.422 1.00 21.13 H new ATOM 0 HB2 ALA A 42 5.806 -7.910 0.295 1.00 21.13 H new ATOM 0 HB3 ALA A 42 6.145 -6.222 -0.156 1.00 21.13 H new ATOM 630 N ASN A 43 8.959 -5.548 -1.109 1.00 52.34 N ATOM 631 CA ASN A 43 9.649 -4.651 -2.030 1.00 61.44 C ATOM 632 C ASN A 43 10.992 -5.238 -2.456 1.00 12.02 C ATOM 633 O ASN A 43 11.235 -5.464 -3.642 1.00 33.10 O ATOM 634 CB ASN A 43 9.861 -3.283 -1.380 1.00 41.11 C ATOM 635 CG ASN A 43 8.715 -2.328 -1.652 1.00 74.43 C ATOM 636 OD1 ASN A 43 8.007 -2.461 -2.652 1.00 45.11 O ATOM 637 ND2 ASN A 43 8.526 -1.361 -0.763 1.00 51.33 N ATOM 0 H ASN A 43 8.867 -5.188 -0.159 1.00 52.34 H new ATOM 0 HA ASN A 43 9.026 -4.531 -2.917 1.00 61.44 H new ATOM 0 HB2 ASN A 43 9.977 -3.410 -0.304 1.00 41.11 H new ATOM 0 HB3 ASN A 43 10.789 -2.848 -1.751 1.00 41.11 H new ATOM 0 HD21 ASN A 43 7.769 -0.689 -0.893 1.00 51.33 H new ATOM 0 HD22 ASN A 43 9.137 -1.289 0.050 1.00 51.33 H new ATOM 644 N VAL A 44 11.861 -5.483 -1.481 1.00 11.02 N ATOM 645 CA VAL A 44 13.178 -6.044 -1.753 1.00 61.54 C ATOM 646 C VAL A 44 13.065 -7.418 -2.407 1.00 53.43 C ATOM 647 O VAL A 44 13.864 -7.770 -3.276 1.00 13.12 O ATOM 648 CB VAL A 44 14.013 -6.169 -0.465 1.00 1.40 C ATOM 649 CG1 VAL A 44 15.404 -6.698 -0.779 1.00 62.13 C ATOM 650 CG2 VAL A 44 14.093 -4.829 0.249 1.00 12.52 C ATOM 0 H VAL A 44 11.676 -5.301 -0.494 1.00 11.02 H new ATOM 0 HA VAL A 44 13.679 -5.358 -2.436 1.00 61.54 H new ATOM 0 HB VAL A 44 13.521 -6.880 0.198 1.00 1.40 H new ATOM 0 HG11 VAL A 44 15.979 -6.779 0.143 1.00 62.13 H new ATOM 0 HG12 VAL A 44 15.323 -7.680 -1.244 1.00 62.13 H new ATOM 0 HG13 VAL A 44 15.908 -6.014 -1.462 1.00 62.13 H new ATOM 0 HG21 VAL A 44 14.687 -4.935 1.157 1.00 12.52 H new ATOM 0 HG22 VAL A 44 14.561 -4.095 -0.407 1.00 12.52 H new ATOM 0 HG23 VAL A 44 13.089 -4.495 0.509 1.00 12.52 H new ATOM 660 N SER A 45 12.068 -8.188 -1.984 1.00 51.55 N ATOM 661 CA SER A 45 11.852 -9.524 -2.527 1.00 22.01 C ATOM 662 C SER A 45 11.468 -9.456 -4.002 1.00 25.44 C ATOM 663 O SER A 45 11.689 -10.403 -4.758 1.00 73.13 O ATOM 664 CB SER A 45 10.761 -10.248 -1.736 1.00 74.30 C ATOM 665 OG SER A 45 10.241 -11.343 -2.470 1.00 73.43 O ATOM 0 H SER A 45 11.397 -7.910 -1.267 1.00 51.55 H new ATOM 0 HA SER A 45 12.785 -10.081 -2.439 1.00 22.01 H new ATOM 0 HB2 SER A 45 11.168 -10.602 -0.789 1.00 74.30 H new ATOM 0 HB3 SER A 45 9.957 -9.551 -1.497 1.00 74.30 H new ATOM 0 HG SER A 45 9.547 -11.790 -1.943 1.00 73.43 H new ATOM 671 N THR A 46 10.891 -8.329 -4.405 1.00 72.21 N ATOM 672 CA THR A 46 10.473 -8.136 -5.788 1.00 64.24 C ATOM 673 C THR A 46 11.527 -7.368 -6.578 1.00 70.21 C ATOM 674 O THR A 46 11.226 -6.757 -7.602 1.00 51.30 O ATOM 675 CB THR A 46 9.134 -7.380 -5.872 1.00 30.35 C ATOM 676 OG1 THR A 46 9.174 -6.220 -5.034 1.00 11.24 O ATOM 677 CG2 THR A 46 7.980 -8.278 -5.450 1.00 52.53 C ATOM 0 H THR A 46 10.702 -7.535 -3.793 1.00 72.21 H new ATOM 0 HA THR A 46 10.348 -9.128 -6.221 1.00 64.24 H new ATOM 0 HB THR A 46 8.977 -7.075 -6.907 1.00 30.35 H new ATOM 0 HG1 THR A 46 8.806 -6.440 -4.153 1.00 11.24 H new ATOM 0 HG21 THR A 46 7.044 -7.723 -5.517 1.00 52.53 H new ATOM 0 HG22 THR A 46 7.935 -9.146 -6.108 1.00 52.53 H new ATOM 0 HG23 THR A 46 8.133 -8.609 -4.423 1.00 52.53 H new ATOM 685 N GLY A 47 12.766 -7.404 -6.095 1.00 55.34 N ATOM 686 CA GLY A 47 13.845 -6.708 -6.770 1.00 4.41 C ATOM 687 C GLY A 47 13.517 -5.252 -7.039 1.00 22.13 C ATOM 688 O GLY A 47 14.025 -4.660 -7.991 1.00 44.14 O ATOM 0 H GLY A 47 13.041 -7.903 -5.249 1.00 55.34 H new ATOM 0 HA2 GLY A 47 14.748 -6.768 -6.162 1.00 4.41 H new ATOM 0 HA3 GLY A 47 14.062 -7.209 -7.714 1.00 4.41 H new ATOM 692 N ARG A 48 12.664 -4.674 -6.199 1.00 61.32 N ATOM 693 CA ARG A 48 12.267 -3.280 -6.353 1.00 44.02 C ATOM 694 C ARG A 48 13.026 -2.387 -5.375 1.00 74.44 C ATOM 695 O ARG A 48 13.484 -2.846 -4.330 1.00 5.34 O ATOM 696 CB ARG A 48 10.761 -3.130 -6.133 1.00 54.42 C ATOM 697 CG ARG A 48 10.048 -2.416 -7.270 1.00 1.53 C ATOM 698 CD ARG A 48 8.557 -2.286 -6.998 1.00 42.14 C ATOM 699 NE ARG A 48 7.974 -1.135 -7.684 1.00 33.53 N ATOM 700 CZ ARG A 48 6.667 -0.965 -7.851 1.00 52.21 C ATOM 701 NH1 ARG A 48 5.812 -1.865 -7.385 1.00 64.23 N ATOM 702 NH2 ARG A 48 6.213 0.107 -8.487 1.00 11.43 N ATOM 0 H ARG A 48 12.235 -5.150 -5.405 1.00 61.32 H new ATOM 0 HA ARG A 48 12.512 -2.968 -7.368 1.00 44.02 H new ATOM 0 HB2 ARG A 48 10.321 -4.119 -6.003 1.00 54.42 H new ATOM 0 HB3 ARG A 48 10.590 -2.581 -5.207 1.00 54.42 H new ATOM 0 HG2 ARG A 48 10.482 -1.425 -7.408 1.00 1.53 H new ATOM 0 HG3 ARG A 48 10.203 -2.964 -8.199 1.00 1.53 H new ATOM 0 HD2 ARG A 48 8.049 -3.195 -7.320 1.00 42.14 H new ATOM 0 HD3 ARG A 48 8.391 -2.191 -5.925 1.00 42.14 H new ATOM 0 HE ARG A 48 8.604 -0.424 -8.055 1.00 33.53 H new ATOM 0 HH11 ARG A 48 6.157 -2.691 -6.896 1.00 64.23 H new ATOM 0 HH12 ARG A 48 4.809 -1.731 -7.515 1.00 64.23 H new ATOM 0 HH21 ARG A 48 6.867 0.801 -8.848 1.00 11.43 H new ATOM 0 HH22 ARG A 48 5.209 0.237 -8.615 1.00 11.43 H new ATOM 716 N GLU A 49 13.156 -1.112 -5.726 1.00 40.54 N ATOM 717 CA GLU A 49 13.860 -0.156 -4.880 1.00 5.21 C ATOM 718 C GLU A 49 13.328 -0.198 -3.451 1.00 43.10 C ATOM 719 O GLU A 49 12.197 -0.613 -3.195 1.00 61.44 O ATOM 720 CB GLU A 49 13.722 1.259 -5.446 1.00 52.04 C ATOM 721 CG GLU A 49 12.312 1.598 -5.900 1.00 40.22 C ATOM 722 CD GLU A 49 12.133 3.075 -6.194 1.00 34.31 C ATOM 723 OE1 GLU A 49 12.440 3.897 -5.305 1.00 12.43 O ATOM 724 OE2 GLU A 49 11.686 3.408 -7.310 1.00 53.23 O ATOM 0 H GLU A 49 12.783 -0.717 -6.590 1.00 40.54 H new ATOM 0 HA GLU A 49 14.914 -0.432 -4.865 1.00 5.21 H new ATOM 0 HB2 GLU A 49 14.033 1.977 -4.687 1.00 52.04 H new ATOM 0 HB3 GLU A 49 14.403 1.372 -6.289 1.00 52.04 H new ATOM 0 HG2 GLU A 49 12.074 1.022 -6.794 1.00 40.22 H new ATOM 0 HG3 GLU A 49 11.604 1.296 -5.128 1.00 40.22 H new ATOM 731 N PRO A 50 14.161 0.242 -2.495 1.00 74.04 N ATOM 732 CA PRO A 50 13.796 0.265 -1.076 1.00 44.22 C ATOM 733 C PRO A 50 12.732 1.313 -0.768 1.00 44.21 C ATOM 734 O PRO A 50 11.876 1.108 0.091 1.00 20.41 O ATOM 735 CB PRO A 50 15.112 0.617 -0.378 1.00 24.12 C ATOM 736 CG PRO A 50 15.900 1.355 -1.405 1.00 23.23 C ATOM 737 CD PRO A 50 15.523 0.751 -2.728 1.00 75.01 C ATOM 0 HA PRO A 50 13.364 -0.681 -0.750 1.00 44.22 H new ATOM 0 HB2 PRO A 50 14.939 1.232 0.506 1.00 24.12 H new ATOM 0 HB3 PRO A 50 15.636 -0.279 -0.046 1.00 24.12 H new ATOM 0 HG2 PRO A 50 15.670 2.420 -1.382 1.00 23.23 H new ATOM 0 HG3 PRO A 50 16.970 1.256 -1.221 1.00 23.23 H new ATOM 0 HD2 PRO A 50 15.544 1.491 -3.528 1.00 75.01 H new ATOM 0 HD3 PRO A 50 16.207 -0.048 -3.015 1.00 75.01 H new ATOM 745 N GLY A 51 12.793 2.437 -1.475 1.00 51.43 N ATOM 746 CA GLY A 51 11.828 3.501 -1.262 1.00 25.34 C ATOM 747 C GLY A 51 10.579 3.328 -2.103 1.00 22.32 C ATOM 748 O GLY A 51 10.142 4.262 -2.776 1.00 60.43 O ATOM 0 H GLY A 51 13.493 2.630 -2.191 1.00 51.43 H new ATOM 0 HA2 GLY A 51 11.551 3.531 -0.208 1.00 25.34 H new ATOM 0 HA3 GLY A 51 12.291 4.459 -1.497 1.00 25.34 H new ATOM 752 N ASP A 52 10.005 2.130 -2.067 1.00 42.12 N ATOM 753 CA ASP A 52 8.799 1.837 -2.833 1.00 43.15 C ATOM 754 C ASP A 52 7.548 2.156 -2.020 1.00 40.21 C ATOM 755 O ASP A 52 7.049 1.311 -1.276 1.00 3.35 O ATOM 756 CB ASP A 52 8.784 0.369 -3.261 1.00 3.14 C ATOM 757 CG ASP A 52 8.909 0.202 -4.763 1.00 23.54 C ATOM 758 OD1 ASP A 52 9.936 -0.346 -5.215 1.00 43.52 O ATOM 759 OD2 ASP A 52 7.980 0.618 -5.485 1.00 31.23 O ATOM 0 H ASP A 52 10.355 1.347 -1.516 1.00 42.12 H new ATOM 0 HA ASP A 52 8.802 2.466 -3.723 1.00 43.15 H new ATOM 0 HB2 ASP A 52 9.603 -0.158 -2.771 1.00 3.14 H new ATOM 0 HB3 ASP A 52 7.858 -0.096 -2.923 1.00 3.14 H new ATOM 764 N ILE A 53 7.049 3.379 -2.166 1.00 74.21 N ATOM 765 CA ILE A 53 5.857 3.808 -1.446 1.00 22.14 C ATOM 766 C ILE A 53 4.816 4.385 -2.398 1.00 21.42 C ATOM 767 O ILE A 53 4.593 5.594 -2.455 1.00 42.40 O ATOM 768 CB ILE A 53 6.197 4.862 -0.374 1.00 33.51 C ATOM 769 CG1 ILE A 53 7.112 5.938 -0.959 1.00 3.23 C ATOM 770 CG2 ILE A 53 6.849 4.200 0.831 1.00 0.42 C ATOM 771 CD1 ILE A 53 7.102 7.231 -0.173 1.00 0.12 C ATOM 0 H ILE A 53 7.452 4.090 -2.776 1.00 74.21 H new ATOM 0 HA ILE A 53 5.447 2.923 -0.958 1.00 22.14 H new ATOM 0 HB ILE A 53 5.273 5.338 -0.046 1.00 33.51 H new ATOM 0 HG12 ILE A 53 8.131 5.554 -0.999 1.00 3.23 H new ATOM 0 HG13 ILE A 53 6.808 6.144 -1.985 1.00 3.23 H new ATOM 0 HG21 ILE A 53 7.083 4.957 1.579 1.00 0.42 H new ATOM 0 HG22 ILE A 53 6.165 3.467 1.258 1.00 0.42 H new ATOM 0 HG23 ILE A 53 7.767 3.701 0.520 1.00 0.42 H new ATOM 0 HD11 ILE A 53 7.773 7.949 -0.645 1.00 0.12 H new ATOM 0 HD12 ILE A 53 6.091 7.638 -0.154 1.00 0.12 H new ATOM 0 HD13 ILE A 53 7.435 7.039 0.847 1.00 0.12 H new ATOM 783 N PRO A 54 4.161 3.500 -3.165 1.00 12.32 N ATOM 784 CA PRO A 54 3.131 3.898 -4.128 1.00 12.42 C ATOM 785 C PRO A 54 1.861 4.396 -3.446 1.00 35.13 C ATOM 786 O PRO A 54 1.794 4.475 -2.220 1.00 44.15 O ATOM 787 CB PRO A 54 2.851 2.608 -4.902 1.00 14.24 C ATOM 788 CG PRO A 54 3.228 1.514 -3.964 1.00 13.53 C ATOM 789 CD PRO A 54 4.376 2.044 -3.150 1.00 31.21 C ATOM 0 HA PRO A 54 3.459 4.726 -4.757 1.00 12.42 H new ATOM 0 HB2 PRO A 54 1.802 2.539 -5.190 1.00 14.24 H new ATOM 0 HB3 PRO A 54 3.437 2.562 -5.820 1.00 14.24 H new ATOM 0 HG2 PRO A 54 2.389 1.242 -3.324 1.00 13.53 H new ATOM 0 HG3 PRO A 54 3.518 0.615 -4.509 1.00 13.53 H new ATOM 0 HD2 PRO A 54 4.366 1.647 -2.135 1.00 31.21 H new ATOM 0 HD3 PRO A 54 5.337 1.775 -3.588 1.00 31.21 H new ATOM 797 N GLU A 55 0.855 4.731 -4.249 1.00 73.51 N ATOM 798 CA GLU A 55 -0.413 5.220 -3.721 1.00 44.20 C ATOM 799 C GLU A 55 -1.540 5.005 -4.725 1.00 73.22 C ATOM 800 O GLU A 55 -2.333 5.909 -4.991 1.00 12.31 O ATOM 801 CB GLU A 55 -0.305 6.706 -3.370 1.00 60.14 C ATOM 802 CG GLU A 55 0.334 6.967 -2.016 1.00 70.51 C ATOM 803 CD GLU A 55 -0.382 8.051 -1.233 1.00 43.32 C ATOM 804 OE1 GLU A 55 -0.589 9.148 -1.794 1.00 25.52 O ATOM 805 OE2 GLU A 55 -0.733 7.803 -0.062 1.00 33.14 O ATOM 0 H GLU A 55 0.894 4.673 -5.267 1.00 73.51 H new ATOM 0 HA GLU A 55 -0.643 4.655 -2.817 1.00 44.20 H new ATOM 0 HB2 GLU A 55 0.277 7.211 -4.141 1.00 60.14 H new ATOM 0 HB3 GLU A 55 -1.302 7.147 -3.383 1.00 60.14 H new ATOM 0 HG2 GLU A 55 0.335 6.045 -1.435 1.00 70.51 H new ATOM 0 HG3 GLU A 55 1.375 7.255 -2.159 1.00 70.51 H new ATOM 812 N THR A 56 -1.606 3.800 -5.284 1.00 13.14 N ATOM 813 CA THR A 56 -2.635 3.464 -6.260 1.00 51.52 C ATOM 814 C THR A 56 -3.067 2.009 -6.126 1.00 53.31 C ATOM 815 O THR A 56 -2.235 1.116 -5.963 1.00 65.20 O ATOM 816 CB THR A 56 -2.145 3.712 -7.699 1.00 41.54 C ATOM 817 OG1 THR A 56 -1.217 2.692 -8.083 1.00 65.10 O ATOM 818 CG2 THR A 56 -1.484 5.077 -7.819 1.00 45.00 C ATOM 0 H THR A 56 -0.958 3.040 -5.077 1.00 13.14 H new ATOM 0 HA THR A 56 -3.487 4.112 -6.057 1.00 51.52 H new ATOM 0 HB THR A 56 -3.009 3.685 -8.363 1.00 41.54 H new ATOM 0 HG1 THR A 56 -1.155 2.657 -9.060 1.00 65.10 H new ATOM 0 HG21 THR A 56 -1.146 5.229 -8.844 1.00 45.00 H new ATOM 0 HG22 THR A 56 -2.202 5.853 -7.555 1.00 45.00 H new ATOM 0 HG23 THR A 56 -0.629 5.128 -7.144 1.00 45.00 H new ATOM 826 N LEU A 57 -4.373 1.776 -6.196 1.00 64.12 N ATOM 827 CA LEU A 57 -4.916 0.427 -6.083 1.00 54.00 C ATOM 828 C LEU A 57 -4.229 -0.521 -7.061 1.00 40.13 C ATOM 829 O LEU A 57 -4.069 -1.709 -6.782 1.00 43.30 O ATOM 830 CB LEU A 57 -6.424 0.440 -6.342 1.00 23.12 C ATOM 831 CG LEU A 57 -7.204 -0.768 -5.823 1.00 30.31 C ATOM 832 CD1 LEU A 57 -7.923 -0.423 -4.527 1.00 53.43 C ATOM 833 CD2 LEU A 57 -8.194 -1.255 -6.871 1.00 31.11 C ATOM 0 H LEU A 57 -5.075 2.503 -6.330 1.00 64.12 H new ATOM 0 HA LEU A 57 -4.730 0.071 -5.070 1.00 54.00 H new ATOM 0 HB2 LEU A 57 -6.842 1.339 -5.890 1.00 23.12 H new ATOM 0 HB3 LEU A 57 -6.587 0.518 -7.417 1.00 23.12 H new ATOM 0 HG LEU A 57 -6.497 -1.572 -5.619 1.00 30.31 H new ATOM 0 HD11 LEU A 57 -8.473 -1.295 -4.173 1.00 53.43 H new ATOM 0 HD12 LEU A 57 -7.193 -0.124 -3.775 1.00 53.43 H new ATOM 0 HD13 LEU A 57 -8.619 0.397 -4.704 1.00 53.43 H new ATOM 0 HD21 LEU A 57 -8.740 -2.115 -6.484 1.00 31.11 H new ATOM 0 HD22 LEU A 57 -8.896 -0.456 -7.107 1.00 31.11 H new ATOM 0 HD23 LEU A 57 -7.656 -1.543 -7.774 1.00 31.11 H new ATOM 845 N ASP A 58 -3.824 0.013 -8.208 1.00 40.11 N ATOM 846 CA ASP A 58 -3.150 -0.784 -9.227 1.00 2.31 C ATOM 847 C ASP A 58 -1.782 -1.249 -8.738 1.00 12.35 C ATOM 848 O ASP A 58 -1.424 -2.416 -8.885 1.00 62.53 O ATOM 849 CB ASP A 58 -2.997 0.022 -10.518 1.00 0.52 C ATOM 850 CG ASP A 58 -2.658 -0.850 -11.710 1.00 23.30 C ATOM 851 OD1 ASP A 58 -2.146 -0.312 -12.713 1.00 54.23 O ATOM 852 OD2 ASP A 58 -2.904 -2.073 -11.638 1.00 43.20 O ATOM 0 H ASP A 58 -3.951 0.994 -8.456 1.00 40.11 H new ATOM 0 HA ASP A 58 -3.762 -1.663 -9.427 1.00 2.31 H new ATOM 0 HB2 ASP A 58 -3.923 0.561 -10.718 1.00 0.52 H new ATOM 0 HB3 ASP A 58 -2.215 0.770 -10.385 1.00 0.52 H new ATOM 857 N GLN A 59 -1.023 -0.326 -8.156 1.00 5.23 N ATOM 858 CA GLN A 59 0.306 -0.641 -7.647 1.00 24.42 C ATOM 859 C GLN A 59 0.239 -1.741 -6.592 1.00 52.11 C ATOM 860 O GLN A 59 1.093 -2.628 -6.549 1.00 60.14 O ATOM 861 CB GLN A 59 0.959 0.610 -7.054 1.00 74.13 C ATOM 862 CG GLN A 59 2.011 1.234 -7.957 1.00 74.53 C ATOM 863 CD GLN A 59 1.515 2.488 -8.650 1.00 43.44 C ATOM 864 OE1 GLN A 59 1.381 3.570 -7.891 1.00 2.13 O flip ATOM 865 NE2 GLN A 59 1.255 2.485 -9.854 1.00 71.30 N flip ATOM 0 H GLN A 59 -1.306 0.645 -8.025 1.00 5.23 H new ATOM 0 HA GLN A 59 0.911 -0.998 -8.481 1.00 24.42 H new ATOM 0 HB2 GLN A 59 0.186 1.350 -6.846 1.00 74.13 H new ATOM 0 HB3 GLN A 59 1.418 0.352 -6.100 1.00 74.13 H new ATOM 0 HG2 GLN A 59 2.895 1.475 -7.366 1.00 74.53 H new ATOM 0 HG3 GLN A 59 2.318 0.506 -8.708 1.00 74.53 H new ATOM 0 HE21 GLN A 59 1.373 1.631 -10.399 1.00 71.30 H new ATOM 0 HE22 GLN A 59 0.922 3.337 -10.306 1.00 71.30 H new ATOM 874 N LEU A 60 -0.782 -1.677 -5.744 1.00 64.53 N ATOM 875 CA LEU A 60 -0.961 -2.669 -4.688 1.00 72.34 C ATOM 876 C LEU A 60 -1.226 -4.051 -5.278 1.00 41.24 C ATOM 877 O LEU A 60 -0.501 -5.005 -4.998 1.00 63.45 O ATOM 878 CB LEU A 60 -2.116 -2.263 -3.772 1.00 11.13 C ATOM 879 CG LEU A 60 -1.757 -1.338 -2.608 1.00 43.14 C ATOM 880 CD1 LEU A 60 -0.937 -2.084 -1.567 1.00 3.30 C ATOM 881 CD2 LEU A 60 -1.000 -0.118 -3.112 1.00 43.13 C ATOM 0 H LEU A 60 -1.497 -0.950 -5.766 1.00 64.53 H new ATOM 0 HA LEU A 60 -0.041 -2.714 -4.105 1.00 72.34 H new ATOM 0 HB2 LEU A 60 -2.878 -1.773 -4.377 1.00 11.13 H new ATOM 0 HB3 LEU A 60 -2.566 -3.168 -3.365 1.00 11.13 H new ATOM 0 HG LEU A 60 -2.681 -1.000 -2.138 1.00 43.14 H new ATOM 0 HD11 LEU A 60 -0.691 -1.410 -0.746 1.00 3.30 H new ATOM 0 HD12 LEU A 60 -1.514 -2.926 -1.184 1.00 3.30 H new ATOM 0 HD13 LEU A 60 -0.018 -2.451 -2.023 1.00 3.30 H new ATOM 0 HD21 LEU A 60 -0.752 0.530 -2.271 1.00 43.13 H new ATOM 0 HD22 LEU A 60 -0.083 -0.438 -3.606 1.00 43.13 H new ATOM 0 HD23 LEU A 60 -1.622 0.429 -3.820 1.00 43.13 H new ATOM 893 N ARG A 61 -2.268 -4.148 -6.097 1.00 23.41 N ATOM 894 CA ARG A 61 -2.628 -5.412 -6.728 1.00 32.43 C ATOM 895 C ARG A 61 -1.463 -5.965 -7.544 1.00 32.14 C ATOM 896 O ARG A 61 -1.383 -7.168 -7.798 1.00 15.32 O ATOM 897 CB ARG A 61 -3.853 -5.229 -7.626 1.00 2.33 C ATOM 898 CG ARG A 61 -4.186 -6.455 -8.461 1.00 0.11 C ATOM 899 CD ARG A 61 -3.627 -6.337 -9.871 1.00 2.24 C ATOM 900 NE ARG A 61 -4.461 -7.032 -10.849 1.00 3.52 N ATOM 901 CZ ARG A 61 -4.360 -6.850 -12.161 1.00 5.23 C ATOM 902 NH1 ARG A 61 -3.467 -6.000 -12.649 1.00 71.20 N ATOM 903 NH2 ARG A 61 -5.154 -7.519 -12.986 1.00 70.05 N ATOM 0 H ARG A 61 -2.878 -3.367 -6.339 1.00 23.41 H new ATOM 0 HA ARG A 61 -2.868 -6.126 -5.940 1.00 32.43 H new ATOM 0 HB2 ARG A 61 -4.713 -4.978 -7.006 1.00 2.33 H new ATOM 0 HB3 ARG A 61 -3.682 -4.383 -8.291 1.00 2.33 H new ATOM 0 HG2 ARG A 61 -3.780 -7.345 -7.981 1.00 0.11 H new ATOM 0 HG3 ARG A 61 -5.268 -6.583 -8.507 1.00 0.11 H new ATOM 0 HD2 ARG A 61 -3.549 -5.284 -10.143 1.00 2.24 H new ATOM 0 HD3 ARG A 61 -2.618 -6.749 -9.897 1.00 2.24 H new ATOM 0 HE ARG A 61 -5.158 -7.693 -10.506 1.00 3.52 H new ATOM 0 HH11 ARG A 61 -2.855 -5.484 -12.017 1.00 71.20 H new ATOM 0 HH12 ARG A 61 -3.392 -5.862 -13.657 1.00 71.20 H new ATOM 0 HH21 ARG A 61 -5.842 -8.173 -12.613 1.00 70.05 H new ATOM 0 HH22 ARG A 61 -5.077 -7.379 -13.993 1.00 70.05 H new ATOM 917 N LEU A 62 -0.561 -5.079 -7.952 1.00 14.03 N ATOM 918 CA LEU A 62 0.600 -5.476 -8.740 1.00 71.22 C ATOM 919 C LEU A 62 1.645 -6.159 -7.864 1.00 22.02 C ATOM 920 O LEU A 62 1.974 -7.327 -8.068 1.00 52.03 O ATOM 921 CB LEU A 62 1.214 -4.257 -9.431 1.00 13.44 C ATOM 922 CG LEU A 62 1.135 -4.240 -10.957 1.00 74.14 C ATOM 923 CD1 LEU A 62 -0.312 -4.143 -11.417 1.00 63.44 C ATOM 924 CD2 LEU A 62 1.953 -3.088 -11.521 1.00 41.31 C ATOM 0 H LEU A 62 -0.612 -4.081 -7.750 1.00 14.03 H new ATOM 0 HA LEU A 62 0.268 -6.186 -9.498 1.00 71.22 H new ATOM 0 HB2 LEU A 62 0.720 -3.362 -9.052 1.00 13.44 H new ATOM 0 HB3 LEU A 62 2.262 -4.190 -9.141 1.00 13.44 H new ATOM 0 HG LEU A 62 1.552 -5.174 -11.333 1.00 74.14 H new ATOM 0 HD11 LEU A 62 -0.348 -4.132 -12.506 1.00 63.44 H new ATOM 0 HD12 LEU A 62 -0.871 -5.002 -11.044 1.00 63.44 H new ATOM 0 HD13 LEU A 62 -0.756 -3.226 -11.030 1.00 63.44 H new ATOM 0 HD21 LEU A 62 1.885 -3.092 -12.609 1.00 41.31 H new ATOM 0 HD22 LEU A 62 1.566 -2.144 -11.136 1.00 41.31 H new ATOM 0 HD23 LEU A 62 2.995 -3.201 -11.222 1.00 41.31 H new ATOM 936 N VAL A 63 2.161 -5.422 -6.885 1.00 51.13 N ATOM 937 CA VAL A 63 3.167 -5.957 -5.975 1.00 32.10 C ATOM 938 C VAL A 63 2.712 -7.280 -5.370 1.00 31.33 C ATOM 939 O VAL A 63 3.531 -8.142 -5.049 1.00 42.35 O ATOM 940 CB VAL A 63 3.479 -4.966 -4.838 1.00 43.24 C ATOM 941 CG1 VAL A 63 4.180 -3.732 -5.384 1.00 5.42 C ATOM 942 CG2 VAL A 63 2.205 -4.583 -4.101 1.00 41.23 C ATOM 0 H VAL A 63 1.899 -4.453 -6.702 1.00 51.13 H new ATOM 0 HA VAL A 63 4.070 -6.121 -6.563 1.00 32.10 H new ATOM 0 HB VAL A 63 4.149 -5.452 -4.129 1.00 43.24 H new ATOM 0 HG11 VAL A 63 4.393 -3.043 -4.567 1.00 5.42 H new ATOM 0 HG12 VAL A 63 5.114 -4.026 -5.863 1.00 5.42 H new ATOM 0 HG13 VAL A 63 3.537 -3.241 -6.114 1.00 5.42 H new ATOM 0 HG21 VAL A 63 2.444 -3.882 -3.301 1.00 41.23 H new ATOM 0 HG22 VAL A 63 1.509 -4.115 -4.797 1.00 41.23 H new ATOM 0 HG23 VAL A 63 1.748 -5.477 -3.676 1.00 41.23 H new ATOM 952 N ILE A 64 1.401 -7.436 -5.218 1.00 41.30 N ATOM 953 CA ILE A 64 0.837 -8.654 -4.653 1.00 64.51 C ATOM 954 C ILE A 64 0.977 -9.825 -5.620 1.00 54.22 C ATOM 955 O ILE A 64 1.595 -10.840 -5.298 1.00 43.41 O ATOM 956 CB ILE A 64 -0.650 -8.474 -4.295 1.00 31.03 C ATOM 957 CG1 ILE A 64 -0.811 -7.394 -3.223 1.00 4.44 C ATOM 958 CG2 ILE A 64 -1.244 -9.791 -3.820 1.00 73.12 C ATOM 959 CD1 ILE A 64 -2.192 -6.779 -3.187 1.00 53.33 C ATOM 0 H ILE A 64 0.710 -6.733 -5.479 1.00 41.30 H new ATOM 0 HA ILE A 64 1.398 -8.868 -3.743 1.00 64.51 H new ATOM 0 HB ILE A 64 -1.188 -8.157 -5.188 1.00 31.03 H new ATOM 0 HG12 ILE A 64 -0.589 -7.826 -2.247 1.00 4.44 H new ATOM 0 HG13 ILE A 64 -0.077 -6.608 -3.398 1.00 4.44 H new ATOM 0 HG21 ILE A 64 -2.295 -9.647 -3.571 1.00 73.12 H new ATOM 0 HG22 ILE A 64 -1.157 -10.536 -4.611 1.00 73.12 H new ATOM 0 HG23 ILE A 64 -0.706 -10.135 -2.937 1.00 73.12 H new ATOM 0 HD11 ILE A 64 -2.233 -6.022 -2.404 1.00 53.33 H new ATOM 0 HD12 ILE A 64 -2.410 -6.317 -4.150 1.00 53.33 H new ATOM 0 HD13 ILE A 64 -2.930 -7.554 -2.981 1.00 53.33 H new ATOM 971 N CYS A 65 0.400 -9.675 -6.808 1.00 21.34 N ATOM 972 CA CYS A 65 0.460 -10.720 -7.824 1.00 53.22 C ATOM 973 C CYS A 65 1.899 -11.165 -8.060 1.00 52.25 C ATOM 974 O CYS A 65 2.155 -12.323 -8.389 1.00 70.23 O ATOM 975 CB CYS A 65 -0.155 -10.222 -9.133 1.00 64.54 C ATOM 976 SG CYS A 65 -1.953 -10.397 -9.217 1.00 45.14 S ATOM 0 H CYS A 65 -0.114 -8.841 -7.091 1.00 21.34 H new ATOM 0 HA CYS A 65 -0.111 -11.576 -7.466 1.00 53.22 H new ATOM 0 HB2 CYS A 65 0.104 -9.172 -9.267 1.00 64.54 H new ATOM 0 HB3 CYS A 65 0.292 -10.769 -9.963 1.00 64.54 H new ATOM 0 HG CYS A 65 -2.302 -11.543 -8.712 1.00 45.14 H new ATOM 982 N ASP A 66 2.835 -10.237 -7.893 1.00 2.22 N ATOM 983 CA ASP A 66 4.250 -10.534 -8.089 1.00 50.50 C ATOM 984 C ASP A 66 4.772 -11.448 -6.985 1.00 15.11 C ATOM 985 O ASP A 66 5.366 -12.492 -7.258 1.00 41.35 O ATOM 986 CB ASP A 66 5.064 -9.240 -8.124 1.00 51.42 C ATOM 987 CG ASP A 66 4.453 -8.195 -9.039 1.00 22.31 C ATOM 988 OD1 ASP A 66 4.750 -6.997 -8.852 1.00 11.32 O ATOM 989 OD2 ASP A 66 3.680 -8.578 -9.941 1.00 42.24 O ATOM 0 H ASP A 66 2.640 -9.273 -7.622 1.00 2.22 H new ATOM 0 HA ASP A 66 4.359 -11.049 -9.044 1.00 50.50 H new ATOM 0 HB2 ASP A 66 5.140 -8.835 -7.115 1.00 51.42 H new ATOM 0 HB3 ASP A 66 6.078 -9.461 -8.456 1.00 51.42 H new ATOM 994 N LEU A 67 4.546 -11.049 -5.739 1.00 64.52 N ATOM 995 CA LEU A 67 4.995 -11.832 -4.592 1.00 32.45 C ATOM 996 C LEU A 67 4.496 -13.271 -4.687 1.00 4.00 C ATOM 997 O LEU A 67 5.227 -14.212 -4.378 1.00 55.55 O ATOM 998 CB LEU A 67 4.503 -11.195 -3.291 1.00 63.23 C ATOM 999 CG LEU A 67 5.088 -9.824 -2.953 1.00 4.41 C ATOM 1000 CD1 LEU A 67 4.178 -9.078 -1.990 1.00 15.41 C ATOM 1001 CD2 LEU A 67 6.484 -9.970 -2.364 1.00 55.44 C ATOM 0 H LEU A 67 4.055 -10.189 -5.496 1.00 64.52 H new ATOM 0 HA LEU A 67 6.085 -11.843 -4.595 1.00 32.45 H new ATOM 0 HB2 LEU A 67 3.418 -11.102 -3.343 1.00 63.23 H new ATOM 0 HB3 LEU A 67 4.726 -11.876 -2.469 1.00 63.23 H new ATOM 0 HG LEU A 67 5.162 -9.245 -3.874 1.00 4.41 H new ATOM 0 HD11 LEU A 67 4.611 -8.104 -1.761 1.00 15.41 H new ATOM 0 HD12 LEU A 67 3.198 -8.941 -2.447 1.00 15.41 H new ATOM 0 HD13 LEU A 67 4.072 -9.653 -1.070 1.00 15.41 H new ATOM 0 HD21 LEU A 67 6.885 -8.984 -2.129 1.00 55.44 H new ATOM 0 HD22 LEU A 67 6.434 -10.567 -1.454 1.00 55.44 H new ATOM 0 HD23 LEU A 67 7.134 -10.463 -3.087 1.00 55.44 H new ATOM 1013 N GLN A 68 3.249 -13.432 -5.117 1.00 21.40 N ATOM 1014 CA GLN A 68 2.654 -14.756 -5.253 1.00 60.41 C ATOM 1015 C GLN A 68 3.342 -15.551 -6.358 1.00 72.24 C ATOM 1016 O GLN A 68 3.614 -16.742 -6.203 1.00 14.53 O ATOM 1017 CB GLN A 68 1.157 -14.639 -5.550 1.00 64.22 C ATOM 1018 CG GLN A 68 0.281 -14.770 -4.314 1.00 71.21 C ATOM 1019 CD GLN A 68 -0.721 -15.902 -4.428 1.00 21.11 C ATOM 1020 OE1 GLN A 68 -0.415 -16.965 -4.967 1.00 74.41 O ATOM 1021 NE2 GLN A 68 -1.927 -15.679 -3.918 1.00 3.44 N ATOM 0 H GLN A 68 2.632 -12.663 -5.377 1.00 21.40 H new ATOM 0 HA GLN A 68 2.790 -15.286 -4.310 1.00 60.41 H new ATOM 0 HB2 GLN A 68 0.963 -13.676 -6.023 1.00 64.22 H new ATOM 0 HB3 GLN A 68 0.876 -15.409 -6.268 1.00 64.22 H new ATOM 0 HG2 GLN A 68 0.913 -14.935 -3.441 1.00 71.21 H new ATOM 0 HG3 GLN A 68 -0.252 -13.833 -4.149 1.00 71.21 H new ATOM 0 HE21 GLN A 68 -2.138 -14.782 -3.480 1.00 3.44 H new ATOM 0 HE22 GLN A 68 -2.642 -16.404 -3.964 1.00 3.44 H new ATOM 1030 N GLU A 69 3.620 -14.885 -7.475 1.00 3.55 N ATOM 1031 CA GLU A 69 4.276 -15.529 -8.606 1.00 32.41 C ATOM 1032 C GLU A 69 5.600 -16.159 -8.182 1.00 31.04 C ATOM 1033 O GLU A 69 5.921 -17.279 -8.578 1.00 65.13 O ATOM 1034 CB GLU A 69 4.515 -14.518 -9.730 1.00 62.42 C ATOM 1035 CG GLU A 69 4.569 -15.147 -11.112 1.00 51.50 C ATOM 1036 CD GLU A 69 3.207 -15.602 -11.600 1.00 63.05 C ATOM 1037 OE1 GLU A 69 2.196 -15.221 -10.974 1.00 44.00 O ATOM 1038 OE2 GLU A 69 3.153 -16.338 -12.607 1.00 63.42 O ATOM 0 H GLU A 69 3.401 -13.899 -7.620 1.00 3.55 H new ATOM 0 HA GLU A 69 3.619 -16.319 -8.972 1.00 32.41 H new ATOM 0 HB2 GLU A 69 3.721 -13.771 -9.711 1.00 62.42 H new ATOM 0 HB3 GLU A 69 5.451 -13.993 -9.542 1.00 62.42 H new ATOM 0 HG2 GLU A 69 4.982 -14.427 -11.819 1.00 51.50 H new ATOM 0 HG3 GLU A 69 5.247 -16.000 -11.093 1.00 51.50 H new ATOM 1045 N ARG A 70 6.362 -15.429 -7.374 1.00 0.21 N ATOM 1046 CA ARG A 70 7.652 -15.914 -6.897 1.00 51.15 C ATOM 1047 C ARG A 70 7.468 -17.024 -5.867 1.00 43.32 C ATOM 1048 O ARG A 70 8.067 -18.093 -5.978 1.00 62.53 O ATOM 1049 CB ARG A 70 8.459 -14.766 -6.288 1.00 12.21 C ATOM 1050 CG ARG A 70 9.291 -14.000 -7.303 1.00 41.00 C ATOM 1051 CD ARG A 70 10.675 -13.678 -6.759 1.00 34.22 C ATOM 1052 NE ARG A 70 11.559 -13.146 -7.793 1.00 4.31 N ATOM 1053 CZ ARG A 70 12.209 -13.907 -8.666 1.00 32.20 C ATOM 1054 NH1 ARG A 70 12.074 -15.225 -8.632 1.00 22.13 N ATOM 1055 NH2 ARG A 70 12.996 -13.349 -9.578 1.00 10.14 N ATOM 0 H ARG A 70 6.109 -14.500 -7.036 1.00 0.21 H new ATOM 0 HA ARG A 70 8.197 -16.320 -7.749 1.00 51.15 H new ATOM 0 HB2 ARG A 70 7.776 -14.074 -5.795 1.00 12.21 H new ATOM 0 HB3 ARG A 70 9.119 -15.166 -5.518 1.00 12.21 H new ATOM 0 HG2 ARG A 70 9.385 -14.588 -8.216 1.00 41.00 H new ATOM 0 HG3 ARG A 70 8.780 -13.075 -7.571 1.00 41.00 H new ATOM 0 HD2 ARG A 70 10.587 -12.953 -5.949 1.00 34.22 H new ATOM 0 HD3 ARG A 70 11.116 -14.579 -6.333 1.00 34.22 H new ATOM 0 HE ARG A 70 11.684 -12.135 -7.848 1.00 4.31 H new ATOM 0 HH11 ARG A 70 11.469 -15.658 -7.934 1.00 22.13 H new ATOM 0 HH12 ARG A 70 12.575 -15.806 -9.304 1.00 22.13 H new ATOM 0 HH21 ARG A 70 13.102 -12.335 -9.609 1.00 10.14 H new ATOM 0 HH22 ARG A 70 13.495 -13.934 -10.248 1.00 10.14 H new ATOM 1069 N ARG A 71 6.637 -16.761 -4.864 1.00 21.04 N ATOM 1070 CA ARG A 71 6.376 -17.736 -3.812 1.00 71.04 C ATOM 1071 C ARG A 71 5.832 -19.036 -4.399 1.00 44.22 C ATOM 1072 O ARG A 71 6.029 -20.112 -3.836 1.00 23.04 O ATOM 1073 CB ARG A 71 5.383 -17.169 -2.796 1.00 70.40 C ATOM 1074 CG ARG A 71 5.209 -18.041 -1.562 1.00 45.24 C ATOM 1075 CD ARG A 71 3.976 -17.641 -0.767 1.00 62.01 C ATOM 1076 NE ARG A 71 3.129 -18.790 -0.458 1.00 53.45 N ATOM 1077 CZ ARG A 71 2.333 -19.375 -1.347 1.00 33.54 C ATOM 1078 NH1 ARG A 71 2.277 -18.923 -2.591 1.00 71.03 N ATOM 1079 NH2 ARG A 71 1.591 -20.417 -0.990 1.00 1.11 N ATOM 0 H ARG A 71 6.133 -15.881 -4.758 1.00 21.04 H new ATOM 0 HA ARG A 71 7.318 -17.950 -3.308 1.00 71.04 H new ATOM 0 HB2 ARG A 71 5.718 -16.179 -2.487 1.00 70.40 H new ATOM 0 HB3 ARG A 71 4.415 -17.041 -3.280 1.00 70.40 H new ATOM 0 HG2 ARG A 71 5.127 -19.086 -1.862 1.00 45.24 H new ATOM 0 HG3 ARG A 71 6.093 -17.959 -0.930 1.00 45.24 H new ATOM 0 HD2 ARG A 71 4.283 -17.157 0.160 1.00 62.01 H new ATOM 0 HD3 ARG A 71 3.401 -16.908 -1.333 1.00 62.01 H new ATOM 0 HE ARG A 71 3.150 -19.163 0.491 1.00 53.45 H new ATOM 0 HH11 ARG A 71 2.846 -18.123 -2.869 1.00 71.03 H new ATOM 0 HH12 ARG A 71 1.665 -19.375 -3.271 1.00 71.03 H new ATOM 0 HH21 ARG A 71 1.632 -20.768 -0.033 1.00 1.11 H new ATOM 0 HH22 ARG A 71 0.980 -20.866 -1.672 1.00 1.11 H new ATOM 1093 N GLU A 72 5.149 -18.926 -5.533 1.00 74.55 N ATOM 1094 CA GLU A 72 4.577 -20.093 -6.195 1.00 60.52 C ATOM 1095 C GLU A 72 5.666 -20.928 -6.864 1.00 0.02 C ATOM 1096 O GLU A 72 5.801 -22.122 -6.597 1.00 62.14 O ATOM 1097 CB GLU A 72 3.541 -19.661 -7.235 1.00 12.21 C ATOM 1098 CG GLU A 72 2.124 -19.589 -6.688 1.00 61.43 C ATOM 1099 CD GLU A 72 1.076 -19.575 -7.784 1.00 25.14 C ATOM 1100 OE1 GLU A 72 0.062 -20.290 -7.642 1.00 72.13 O ATOM 1101 OE2 GLU A 72 1.270 -18.851 -8.782 1.00 43.24 O ATOM 0 H GLU A 72 4.978 -18.042 -6.013 1.00 74.55 H new ATOM 0 HA GLU A 72 4.088 -20.704 -5.437 1.00 60.52 H new ATOM 0 HB2 GLU A 72 3.820 -18.684 -7.629 1.00 12.21 H new ATOM 0 HB3 GLU A 72 3.564 -20.360 -8.071 1.00 12.21 H new ATOM 0 HG2 GLU A 72 1.948 -20.442 -6.033 1.00 61.43 H new ATOM 0 HG3 GLU A 72 2.019 -18.692 -6.078 1.00 61.43 H new ATOM 1108 N LYS A 73 6.440 -20.290 -7.736 1.00 63.30 N ATOM 1109 CA LYS A 73 7.518 -20.972 -8.444 1.00 22.23 C ATOM 1110 C LYS A 73 8.436 -21.700 -7.466 1.00 13.20 C ATOM 1111 O LYS A 73 8.974 -22.761 -7.779 1.00 23.32 O ATOM 1112 CB LYS A 73 8.327 -19.969 -9.270 1.00 30.04 C ATOM 1113 CG LYS A 73 9.049 -20.595 -10.450 1.00 21.42 C ATOM 1114 CD LYS A 73 10.224 -19.743 -10.901 1.00 23.32 C ATOM 1115 CE LYS A 73 10.816 -20.256 -12.204 1.00 54.21 C ATOM 1116 NZ LYS A 73 10.005 -19.840 -13.383 1.00 45.51 N ATOM 0 H LYS A 73 6.341 -19.302 -7.969 1.00 63.30 H new ATOM 0 HA LYS A 73 7.072 -21.708 -9.113 1.00 22.23 H new ATOM 0 HB2 LYS A 73 7.659 -19.189 -9.636 1.00 30.04 H new ATOM 0 HB3 LYS A 73 9.058 -19.484 -8.623 1.00 30.04 H new ATOM 0 HG2 LYS A 73 9.403 -21.589 -10.175 1.00 21.42 H new ATOM 0 HG3 LYS A 73 8.352 -20.723 -11.278 1.00 21.42 H new ATOM 0 HD2 LYS A 73 9.898 -18.711 -11.030 1.00 23.32 H new ATOM 0 HD3 LYS A 73 10.992 -19.741 -10.127 1.00 23.32 H new ATOM 0 HE2 LYS A 73 11.834 -19.882 -12.313 1.00 54.21 H new ATOM 0 HE3 LYS A 73 10.878 -21.344 -12.171 1.00 54.21 H new ATOM 0 HZ1 LYS A 73 10.441 -20.209 -14.252 1.00 45.51 H new ATOM 0 HZ2 LYS A 73 9.041 -20.218 -13.292 1.00 45.51 H new ATOM 0 HZ3 LYS A 73 9.967 -18.802 -13.429 1.00 45.51 H new ATOM 1130 N PHE A 74 8.609 -21.121 -6.283 1.00 21.22 N ATOM 1131 CA PHE A 74 9.462 -21.715 -5.259 1.00 61.41 C ATOM 1132 C PHE A 74 8.673 -22.697 -4.397 1.00 65.32 C ATOM 1133 O PHE A 74 9.237 -23.630 -3.827 1.00 25.54 O ATOM 1134 CB PHE A 74 10.074 -20.624 -4.378 1.00 53.05 C ATOM 1135 CG PHE A 74 11.374 -20.088 -4.906 1.00 10.40 C ATOM 1136 CD1 PHE A 74 12.578 -20.666 -4.536 1.00 44.44 C ATOM 1137 CD2 PHE A 74 11.392 -19.005 -5.772 1.00 65.41 C ATOM 1138 CE1 PHE A 74 13.776 -20.174 -5.020 1.00 65.32 C ATOM 1139 CE2 PHE A 74 12.588 -18.511 -6.259 1.00 33.32 C ATOM 1140 CZ PHE A 74 13.781 -19.095 -5.882 1.00 22.01 C ATOM 0 H PHE A 74 8.171 -20.242 -6.009 1.00 21.22 H new ATOM 0 HA PHE A 74 10.263 -22.259 -5.760 1.00 61.41 H new ATOM 0 HB2 PHE A 74 9.363 -19.803 -4.283 1.00 53.05 H new ATOM 0 HB3 PHE A 74 10.235 -21.024 -3.377 1.00 53.05 H new ATOM 0 HD1 PHE A 74 12.580 -21.510 -3.862 1.00 44.44 H new ATOM 0 HD2 PHE A 74 10.462 -18.543 -6.069 1.00 65.41 H new ATOM 0 HE1 PHE A 74 14.708 -20.633 -4.724 1.00 65.32 H new ATOM 0 HE2 PHE A 74 12.589 -17.668 -6.934 1.00 33.32 H new ATOM 0 HZ PHE A 74 14.716 -18.709 -6.260 1.00 22.01 H new ATOM 1150 N GLY A 75 7.365 -22.478 -4.308 1.00 23.24 N ATOM 1151 CA GLY A 75 6.520 -23.351 -3.512 1.00 51.34 C ATOM 1152 C GLY A 75 5.607 -22.581 -2.579 1.00 74.22 C ATOM 1153 O GLY A 75 4.473 -22.260 -2.935 1.00 33.32 O ATOM 0 H GLY A 75 6.875 -21.713 -4.772 1.00 23.24 H new ATOM 0 HA2 GLY A 75 5.917 -23.971 -4.175 1.00 51.34 H new ATOM 0 HA3 GLY A 75 7.147 -24.025 -2.928 1.00 51.34 H new ATOM 1157 N SER A 76 6.101 -22.285 -1.381 1.00 52.11 N ATOM 1158 CA SER A 76 5.319 -21.553 -0.392 1.00 50.22 C ATOM 1159 C SER A 76 6.231 -20.849 0.608 1.00 12.33 C ATOM 1160 O SER A 76 7.448 -21.033 0.592 1.00 33.04 O ATOM 1161 CB SER A 76 4.371 -22.502 0.344 1.00 54.31 C ATOM 1162 OG SER A 76 4.945 -23.790 0.480 1.00 34.20 O ATOM 0 H SER A 76 7.039 -22.541 -1.072 1.00 52.11 H new ATOM 0 HA SER A 76 4.731 -20.798 -0.915 1.00 50.22 H new ATOM 0 HB2 SER A 76 4.139 -22.098 1.329 1.00 54.31 H new ATOM 0 HB3 SER A 76 3.429 -22.575 -0.200 1.00 54.31 H new ATOM 0 HG SER A 76 4.321 -24.378 0.955 1.00 34.20 H new ATOM 1168 N SER A 77 5.632 -20.041 1.478 1.00 63.41 N ATOM 1169 CA SER A 77 6.390 -19.307 2.485 1.00 71.15 C ATOM 1170 C SER A 77 5.457 -18.524 3.403 1.00 15.13 C ATOM 1171 O SER A 77 4.588 -17.784 2.940 1.00 35.20 O ATOM 1172 CB SER A 77 7.381 -18.354 1.813 1.00 72.13 C ATOM 1173 OG SER A 77 7.863 -17.389 2.731 1.00 42.33 O ATOM 0 H SER A 77 4.625 -19.878 1.506 1.00 63.41 H new ATOM 0 HA SER A 77 6.942 -20.029 3.087 1.00 71.15 H new ATOM 0 HB2 SER A 77 8.217 -18.922 1.405 1.00 72.13 H new ATOM 0 HB3 SER A 77 6.897 -17.853 0.975 1.00 72.13 H new ATOM 0 HG SER A 77 8.820 -17.243 2.580 1.00 42.33 H new ATOM 1179 N LYS A 78 5.643 -18.691 4.707 1.00 12.42 N ATOM 1180 CA LYS A 78 4.820 -18.000 5.693 1.00 15.30 C ATOM 1181 C LYS A 78 5.059 -16.494 5.643 1.00 44.13 C ATOM 1182 O LYS A 78 4.114 -15.708 5.607 1.00 32.13 O ATOM 1183 CB LYS A 78 5.118 -18.529 7.098 1.00 44.45 C ATOM 1184 CG LYS A 78 3.907 -19.122 7.795 1.00 1.03 C ATOM 1185 CD LYS A 78 4.237 -20.451 8.453 1.00 51.23 C ATOM 1186 CE LYS A 78 2.979 -21.245 8.768 1.00 61.23 C ATOM 1187 NZ LYS A 78 2.425 -20.899 10.106 1.00 12.41 N ATOM 0 H LYS A 78 6.357 -19.300 5.107 1.00 12.42 H new ATOM 0 HA LYS A 78 3.774 -18.192 5.454 1.00 15.30 H new ATOM 0 HB2 LYS A 78 5.897 -19.288 7.033 1.00 44.45 H new ATOM 0 HB3 LYS A 78 5.515 -17.716 7.706 1.00 44.45 H new ATOM 0 HG2 LYS A 78 3.541 -18.423 8.547 1.00 1.03 H new ATOM 0 HG3 LYS A 78 3.103 -19.262 7.073 1.00 1.03 H new ATOM 0 HD2 LYS A 78 4.881 -21.034 7.795 1.00 51.23 H new ATOM 0 HD3 LYS A 78 4.796 -20.274 9.372 1.00 51.23 H new ATOM 0 HE2 LYS A 78 2.227 -21.052 8.003 1.00 61.23 H new ATOM 0 HE3 LYS A 78 3.204 -22.311 8.733 1.00 61.23 H new ATOM 0 HZ1 LYS A 78 1.568 -21.461 10.283 1.00 12.41 H new ATOM 0 HZ2 LYS A 78 3.133 -21.106 10.839 1.00 12.41 H new ATOM 0 HZ3 LYS A 78 2.186 -19.887 10.132 1.00 12.41 H new ATOM 1201 N GLU A 79 6.329 -16.102 5.640 1.00 45.53 N ATOM 1202 CA GLU A 79 6.692 -14.690 5.593 1.00 31.43 C ATOM 1203 C GLU A 79 6.129 -14.025 4.340 1.00 24.33 C ATOM 1204 O GLU A 79 5.482 -12.979 4.417 1.00 63.25 O ATOM 1205 CB GLU A 79 8.213 -14.530 5.630 1.00 41.51 C ATOM 1206 CG GLU A 79 8.867 -15.205 6.823 1.00 64.23 C ATOM 1207 CD GLU A 79 10.333 -14.841 6.969 1.00 72.24 C ATOM 1208 OE1 GLU A 79 10.927 -15.182 8.013 1.00 44.02 O ATOM 1209 OE2 GLU A 79 10.885 -14.216 6.039 1.00 35.51 O ATOM 0 H GLU A 79 7.123 -16.741 5.670 1.00 45.53 H new ATOM 0 HA GLU A 79 6.262 -14.201 6.467 1.00 31.43 H new ATOM 0 HB2 GLU A 79 8.636 -14.942 4.714 1.00 41.51 H new ATOM 0 HB3 GLU A 79 8.458 -13.468 5.645 1.00 41.51 H new ATOM 0 HG2 GLU A 79 8.335 -14.924 7.732 1.00 64.23 H new ATOM 0 HG3 GLU A 79 8.773 -16.286 6.720 1.00 64.23 H new ATOM 1216 N ILE A 80 6.381 -14.638 3.188 1.00 24.15 N ATOM 1217 CA ILE A 80 5.900 -14.107 1.920 1.00 41.51 C ATOM 1218 C ILE A 80 4.380 -13.990 1.914 1.00 14.42 C ATOM 1219 O ILE A 80 3.829 -12.944 1.570 1.00 14.52 O ATOM 1220 CB ILE A 80 6.340 -14.989 0.736 1.00 2.52 C ATOM 1221 CG1 ILE A 80 7.866 -15.102 0.696 1.00 12.32 C ATOM 1222 CG2 ILE A 80 5.811 -14.422 -0.573 1.00 32.44 C ATOM 1223 CD1 ILE A 80 8.368 -16.136 -0.287 1.00 63.11 C ATOM 0 H ILE A 80 6.916 -15.503 3.108 1.00 24.15 H new ATOM 0 HA ILE A 80 6.339 -13.116 1.807 1.00 41.51 H new ATOM 0 HB ILE A 80 5.923 -15.987 0.871 1.00 2.52 H new ATOM 0 HG12 ILE A 80 8.288 -14.131 0.437 1.00 12.32 H new ATOM 0 HG13 ILE A 80 8.230 -15.352 1.692 1.00 12.32 H new ATOM 0 HG21 ILE A 80 6.130 -15.056 -1.400 1.00 32.44 H new ATOM 0 HG22 ILE A 80 4.722 -14.388 -0.541 1.00 32.44 H new ATOM 0 HG23 ILE A 80 6.201 -13.414 -0.717 1.00 32.44 H new ATOM 0 HD11 ILE A 80 9.457 -16.162 -0.263 1.00 63.11 H new ATOM 0 HD12 ILE A 80 7.975 -17.116 -0.016 1.00 63.11 H new ATOM 0 HD13 ILE A 80 8.034 -15.876 -1.291 1.00 63.11 H new ATOM 1235 N ASP A 81 3.707 -15.068 2.298 1.00 61.01 N ATOM 1236 CA ASP A 81 2.250 -15.086 2.340 1.00 33.45 C ATOM 1237 C ASP A 81 1.715 -13.907 3.147 1.00 21.13 C ATOM 1238 O ASP A 81 0.687 -13.324 2.805 1.00 1.01 O ATOM 1239 CB ASP A 81 1.752 -16.400 2.943 1.00 60.41 C ATOM 1240 CG ASP A 81 0.243 -16.533 2.877 1.00 60.41 C ATOM 1241 OD1 ASP A 81 -0.353 -16.050 1.892 1.00 12.51 O ATOM 1242 OD2 ASP A 81 -0.342 -17.121 3.811 1.00 72.42 O ATOM 0 H ASP A 81 4.148 -15.942 2.585 1.00 61.01 H new ATOM 0 HA ASP A 81 1.881 -15.001 1.318 1.00 33.45 H new ATOM 0 HB2 ASP A 81 2.211 -17.236 2.415 1.00 60.41 H new ATOM 0 HB3 ASP A 81 2.074 -16.465 3.982 1.00 60.41 H new ATOM 1247 N MET A 82 2.419 -13.564 4.220 1.00 32.05 N ATOM 1248 CA MET A 82 2.014 -12.454 5.076 1.00 22.15 C ATOM 1249 C MET A 82 2.084 -11.132 4.320 1.00 15.53 C ATOM 1250 O MET A 82 1.096 -10.402 4.235 1.00 5.10 O ATOM 1251 CB MET A 82 2.903 -12.391 6.321 1.00 74.43 C ATOM 1252 CG MET A 82 2.391 -13.237 7.476 1.00 44.23 C ATOM 1253 SD MET A 82 1.445 -12.277 8.673 1.00 52.32 S ATOM 1254 CE MET A 82 2.348 -12.631 10.179 1.00 31.23 C ATOM 0 H MET A 82 3.272 -14.038 4.518 1.00 32.05 H new ATOM 0 HA MET A 82 0.982 -12.622 5.384 1.00 22.15 H new ATOM 0 HB2 MET A 82 3.908 -12.721 6.057 1.00 74.43 H new ATOM 0 HB3 MET A 82 2.983 -11.354 6.648 1.00 74.43 H new ATOM 0 HG2 MET A 82 1.766 -14.040 7.084 1.00 44.23 H new ATOM 0 HG3 MET A 82 3.236 -13.707 7.979 1.00 44.23 H new ATOM 0 HE1 MET A 82 1.883 -12.107 11.014 1.00 31.23 H new ATOM 0 HE2 MET A 82 2.331 -13.704 10.370 1.00 31.23 H new ATOM 0 HE3 MET A 82 3.380 -12.298 10.071 1.00 31.23 H new ATOM 1264 N ALA A 83 3.256 -10.828 3.773 1.00 1.43 N ATOM 1265 CA ALA A 83 3.453 -9.594 3.023 1.00 22.33 C ATOM 1266 C ALA A 83 2.383 -9.427 1.949 1.00 4.22 C ATOM 1267 O ALA A 83 1.915 -8.317 1.695 1.00 74.41 O ATOM 1268 CB ALA A 83 4.840 -9.573 2.397 1.00 52.41 C ATOM 0 H ALA A 83 4.084 -11.420 3.835 1.00 1.43 H new ATOM 0 HA ALA A 83 3.367 -8.758 3.717 1.00 22.33 H new ATOM 0 HB1 ALA A 83 4.974 -8.646 1.840 1.00 52.41 H new ATOM 0 HB2 ALA A 83 5.594 -9.637 3.181 1.00 52.41 H new ATOM 0 HB3 ALA A 83 4.947 -10.421 1.721 1.00 52.41 H new ATOM 1274 N ILE A 84 2.002 -10.536 1.324 1.00 4.02 N ATOM 1275 CA ILE A 84 0.986 -10.511 0.278 1.00 43.12 C ATOM 1276 C ILE A 84 -0.355 -10.034 0.826 1.00 51.52 C ATOM 1277 O ILE A 84 -0.943 -9.082 0.313 1.00 5.22 O ATOM 1278 CB ILE A 84 0.802 -11.900 -0.361 1.00 23.41 C ATOM 1279 CG1 ILE A 84 2.120 -12.383 -0.971 1.00 71.32 C ATOM 1280 CG2 ILE A 84 -0.293 -11.858 -1.415 1.00 41.25 C ATOM 1281 CD1 ILE A 84 2.214 -13.889 -1.092 1.00 53.22 C ATOM 0 H ILE A 84 2.381 -11.462 1.523 1.00 4.02 H new ATOM 0 HA ILE A 84 1.334 -9.813 -0.484 1.00 43.12 H new ATOM 0 HB ILE A 84 0.503 -12.604 0.415 1.00 23.41 H new ATOM 0 HG12 ILE A 84 2.238 -11.939 -1.960 1.00 71.32 H new ATOM 0 HG13 ILE A 84 2.947 -12.023 -0.359 1.00 71.32 H new ATOM 0 HG21 ILE A 84 -0.411 -12.847 -1.857 1.00 41.25 H new ATOM 0 HG22 ILE A 84 -1.232 -11.553 -0.952 1.00 41.25 H new ATOM 0 HG23 ILE A 84 -0.023 -11.143 -2.192 1.00 41.25 H new ATOM 0 HD11 ILE A 84 3.174 -14.159 -1.532 1.00 53.22 H new ATOM 0 HD12 ILE A 84 2.128 -14.340 -0.103 1.00 53.22 H new ATOM 0 HD13 ILE A 84 1.408 -14.254 -1.728 1.00 53.22 H new ATOM 1293 N VAL A 85 -0.832 -10.701 1.871 1.00 60.21 N ATOM 1294 CA VAL A 85 -2.103 -10.344 2.491 1.00 44.13 C ATOM 1295 C VAL A 85 -2.069 -8.919 3.032 1.00 24.32 C ATOM 1296 O VAL A 85 -3.031 -8.164 2.888 1.00 20.14 O ATOM 1297 CB VAL A 85 -2.459 -11.309 3.637 1.00 72.24 C ATOM 1298 CG1 VAL A 85 -3.798 -10.934 4.254 1.00 51.00 C ATOM 1299 CG2 VAL A 85 -2.478 -12.746 3.137 1.00 64.11 C ATOM 0 H VAL A 85 -0.358 -11.492 2.307 1.00 60.21 H new ATOM 0 HA VAL A 85 -2.865 -10.417 1.715 1.00 44.13 H new ATOM 0 HB VAL A 85 -1.694 -11.227 4.409 1.00 72.24 H new ATOM 0 HG11 VAL A 85 -4.033 -11.627 5.062 1.00 51.00 H new ATOM 0 HG12 VAL A 85 -3.745 -9.920 4.650 1.00 51.00 H new ATOM 0 HG13 VAL A 85 -4.577 -10.986 3.493 1.00 51.00 H new ATOM 0 HG21 VAL A 85 -2.731 -13.414 3.960 1.00 64.11 H new ATOM 0 HG22 VAL A 85 -3.221 -12.846 2.346 1.00 64.11 H new ATOM 0 HG23 VAL A 85 -1.495 -13.008 2.746 1.00 64.11 H new ATOM 1309 N THR A 86 -0.953 -8.557 3.657 1.00 41.41 N ATOM 1310 CA THR A 86 -0.792 -7.223 4.221 1.00 1.32 C ATOM 1311 C THR A 86 -1.027 -6.147 3.167 1.00 10.25 C ATOM 1312 O THR A 86 -1.684 -5.138 3.429 1.00 21.14 O ATOM 1313 CB THR A 86 0.612 -7.033 4.826 1.00 31.45 C ATOM 1314 OG1 THR A 86 0.932 -8.140 5.677 1.00 22.12 O ATOM 1315 CG2 THR A 86 0.689 -5.738 5.621 1.00 31.43 C ATOM 0 H THR A 86 -0.147 -9.169 3.785 1.00 41.41 H new ATOM 0 HA THR A 86 -1.537 -7.124 5.011 1.00 1.32 H new ATOM 0 HB THR A 86 1.332 -6.982 4.009 1.00 31.45 H new ATOM 0 HG1 THR A 86 1.267 -8.884 5.134 1.00 22.12 H new ATOM 0 HG21 THR A 86 1.690 -5.626 6.038 1.00 31.43 H new ATOM 0 HG22 THR A 86 0.473 -4.895 4.965 1.00 31.43 H new ATOM 0 HG23 THR A 86 -0.041 -5.764 6.430 1.00 31.43 H new ATOM 1323 N LEU A 87 -0.488 -6.368 1.973 1.00 13.45 N ATOM 1324 CA LEU A 87 -0.640 -5.417 0.877 1.00 30.24 C ATOM 1325 C LEU A 87 -2.095 -5.334 0.427 1.00 53.04 C ATOM 1326 O LEU A 87 -2.625 -4.247 0.198 1.00 42.41 O ATOM 1327 CB LEU A 87 0.248 -5.820 -0.301 1.00 5.15 C ATOM 1328 CG LEU A 87 1.743 -5.540 -0.141 1.00 25.54 C ATOM 1329 CD1 LEU A 87 2.534 -6.212 -1.252 1.00 61.03 C ATOM 1330 CD2 LEU A 87 2.007 -4.042 -0.126 1.00 14.32 C ATOM 0 H LEU A 87 0.058 -7.197 1.739 1.00 13.45 H new ATOM 0 HA LEU A 87 -0.333 -4.435 1.236 1.00 30.24 H new ATOM 0 HB2 LEU A 87 0.116 -6.887 -0.482 1.00 5.15 H new ATOM 0 HB3 LEU A 87 -0.105 -5.300 -1.191 1.00 5.15 H new ATOM 0 HG LEU A 87 2.071 -5.955 0.812 1.00 25.54 H new ATOM 0 HD11 LEU A 87 3.595 -6.002 -1.121 1.00 61.03 H new ATOM 0 HD12 LEU A 87 2.370 -7.289 -1.215 1.00 61.03 H new ATOM 0 HD13 LEU A 87 2.204 -5.828 -2.217 1.00 61.03 H new ATOM 0 HD21 LEU A 87 3.076 -3.862 -0.011 1.00 14.32 H new ATOM 0 HD22 LEU A 87 1.663 -3.603 -1.062 1.00 14.32 H new ATOM 0 HD23 LEU A 87 1.471 -3.586 0.707 1.00 14.32 H new ATOM 1342 N LYS A 88 -2.737 -6.491 0.302 1.00 15.34 N ATOM 1343 CA LYS A 88 -4.133 -6.551 -0.117 1.00 52.03 C ATOM 1344 C LYS A 88 -5.034 -5.840 0.887 1.00 54.44 C ATOM 1345 O LYS A 88 -5.891 -5.040 0.510 1.00 41.11 O ATOM 1346 CB LYS A 88 -4.576 -8.006 -0.277 1.00 74.01 C ATOM 1347 CG LYS A 88 -3.711 -8.805 -1.236 1.00 13.12 C ATOM 1348 CD LYS A 88 -3.684 -10.279 -0.867 1.00 52.13 C ATOM 1349 CE LYS A 88 -4.205 -11.146 -2.003 1.00 64.41 C ATOM 1350 NZ LYS A 88 -3.443 -12.420 -2.122 1.00 64.11 N ATOM 0 H LYS A 88 -2.313 -7.400 0.485 1.00 15.34 H new ATOM 0 HA LYS A 88 -4.220 -6.044 -1.078 1.00 52.03 H new ATOM 0 HB2 LYS A 88 -4.563 -8.490 0.700 1.00 74.01 H new ATOM 0 HB3 LYS A 88 -5.607 -8.026 -0.629 1.00 74.01 H new ATOM 0 HG2 LYS A 88 -4.090 -8.690 -2.251 1.00 13.12 H new ATOM 0 HG3 LYS A 88 -2.696 -8.408 -1.228 1.00 13.12 H new ATOM 0 HD2 LYS A 88 -2.664 -10.575 -0.620 1.00 52.13 H new ATOM 0 HD3 LYS A 88 -4.289 -10.443 0.025 1.00 52.13 H new ATOM 0 HE2 LYS A 88 -5.259 -11.367 -1.837 1.00 64.41 H new ATOM 0 HE3 LYS A 88 -4.139 -10.594 -2.941 1.00 64.41 H new ATOM 0 HZ1 LYS A 88 -4.097 -13.196 -2.350 1.00 64.11 H new ATOM 0 HZ2 LYS A 88 -2.734 -12.331 -2.878 1.00 64.11 H new ATOM 0 HZ3 LYS A 88 -2.965 -12.624 -1.221 1.00 64.11 H new ATOM 1364 N VAL A 89 -4.835 -6.136 2.167 1.00 25.31 N ATOM 1365 CA VAL A 89 -5.628 -5.524 3.226 1.00 2.01 C ATOM 1366 C VAL A 89 -5.475 -4.007 3.220 1.00 33.23 C ATOM 1367 O VAL A 89 -6.461 -3.273 3.147 1.00 21.13 O ATOM 1368 CB VAL A 89 -5.227 -6.064 4.612 1.00 41.12 C ATOM 1369 CG1 VAL A 89 -6.054 -5.403 5.703 1.00 11.03 C ATOM 1370 CG2 VAL A 89 -5.378 -7.577 4.658 1.00 30.04 C ATOM 0 H VAL A 89 -4.131 -6.796 2.496 1.00 25.31 H new ATOM 0 HA VAL A 89 -6.669 -5.782 3.031 1.00 2.01 H new ATOM 0 HB VAL A 89 -4.179 -5.821 4.788 1.00 41.12 H new ATOM 0 HG11 VAL A 89 -5.756 -5.797 6.675 1.00 11.03 H new ATOM 0 HG12 VAL A 89 -5.889 -4.326 5.683 1.00 11.03 H new ATOM 0 HG13 VAL A 89 -7.111 -5.611 5.535 1.00 11.03 H new ATOM 0 HG21 VAL A 89 -5.090 -7.942 5.644 1.00 30.04 H new ATOM 0 HG22 VAL A 89 -6.416 -7.845 4.460 1.00 30.04 H new ATOM 0 HG23 VAL A 89 -4.736 -8.030 3.902 1.00 30.04 H new ATOM 1380 N PHE A 90 -4.232 -3.543 3.295 1.00 30.43 N ATOM 1381 CA PHE A 90 -3.950 -2.112 3.299 1.00 21.51 C ATOM 1382 C PHE A 90 -4.393 -1.467 1.989 1.00 32.30 C ATOM 1383 O PHE A 90 -4.752 -0.291 1.954 1.00 2.34 O ATOM 1384 CB PHE A 90 -2.456 -1.867 3.521 1.00 5.11 C ATOM 1385 CG PHE A 90 -2.050 -0.432 3.338 1.00 11.13 C ATOM 1386 CD1 PHE A 90 -1.694 0.047 2.088 1.00 12.34 C ATOM 1387 CD2 PHE A 90 -2.025 0.437 4.418 1.00 73.34 C ATOM 1388 CE1 PHE A 90 -1.322 1.367 1.916 1.00 63.44 C ATOM 1389 CE2 PHE A 90 -1.653 1.758 4.252 1.00 51.31 C ATOM 1390 CZ PHE A 90 -1.300 2.223 3.000 1.00 0.41 C ATOM 0 H PHE A 90 -3.404 -4.136 3.354 1.00 30.43 H new ATOM 0 HA PHE A 90 -4.512 -1.658 4.115 1.00 21.51 H new ATOM 0 HB2 PHE A 90 -2.189 -2.186 4.529 1.00 5.11 H new ATOM 0 HB3 PHE A 90 -1.887 -2.488 2.829 1.00 5.11 H new ATOM 0 HD1 PHE A 90 -1.707 -0.619 1.238 1.00 12.34 H new ATOM 0 HD2 PHE A 90 -2.299 0.078 5.399 1.00 73.34 H new ATOM 0 HE1 PHE A 90 -1.049 1.729 0.936 1.00 63.44 H new ATOM 0 HE2 PHE A 90 -1.638 2.426 5.100 1.00 51.31 H new ATOM 0 HZ PHE A 90 -1.007 3.254 2.869 1.00 0.41 H new ATOM 1400 N ALA A 91 -4.366 -2.247 0.913 1.00 40.53 N ATOM 1401 CA ALA A 91 -4.766 -1.753 -0.399 1.00 43.12 C ATOM 1402 C ALA A 91 -6.232 -1.333 -0.403 1.00 42.12 C ATOM 1403 O ALA A 91 -6.558 -0.184 -0.702 1.00 62.21 O ATOM 1404 CB ALA A 91 -4.515 -2.813 -1.460 1.00 73.13 C ATOM 0 H ALA A 91 -4.071 -3.223 0.924 1.00 40.53 H new ATOM 0 HA ALA A 91 -4.163 -0.875 -0.630 1.00 43.12 H new ATOM 0 HB1 ALA A 91 -4.818 -2.431 -2.435 1.00 73.13 H new ATOM 0 HB2 ALA A 91 -3.454 -3.062 -1.482 1.00 73.13 H new ATOM 0 HB3 ALA A 91 -5.093 -3.707 -1.225 1.00 73.13 H new ATOM 1410 N VAL A 92 -7.113 -2.271 -0.071 1.00 25.42 N ATOM 1411 CA VAL A 92 -8.544 -1.998 -0.036 1.00 21.20 C ATOM 1412 C VAL A 92 -8.909 -1.128 1.161 1.00 24.03 C ATOM 1413 O VAL A 92 -9.719 -0.209 1.051 1.00 52.31 O ATOM 1414 CB VAL A 92 -9.363 -3.302 0.021 1.00 41.42 C ATOM 1415 CG1 VAL A 92 -8.973 -4.124 1.240 1.00 74.31 C ATOM 1416 CG2 VAL A 92 -10.853 -2.994 0.029 1.00 71.23 C ATOM 0 H VAL A 92 -6.860 -3.227 0.178 1.00 25.42 H new ATOM 0 HA VAL A 92 -8.787 -1.465 -0.955 1.00 21.20 H new ATOM 0 HB VAL A 92 -9.142 -3.890 -0.870 1.00 41.42 H new ATOM 0 HG11 VAL A 92 -9.562 -5.041 1.264 1.00 74.31 H new ATOM 0 HG12 VAL A 92 -7.913 -4.374 1.186 1.00 74.31 H new ATOM 0 HG13 VAL A 92 -9.164 -3.547 2.145 1.00 74.31 H new ATOM 0 HG21 VAL A 92 -11.417 -3.926 0.069 1.00 71.23 H new ATOM 0 HG22 VAL A 92 -11.094 -2.386 0.901 1.00 71.23 H new ATOM 0 HG23 VAL A 92 -11.117 -2.449 -0.878 1.00 71.23 H new ATOM 1426 N ALA A 93 -8.305 -1.426 2.308 1.00 54.54 N ATOM 1427 CA ALA A 93 -8.564 -0.670 3.526 1.00 31.11 C ATOM 1428 C ALA A 93 -7.998 0.743 3.427 1.00 12.34 C ATOM 1429 O ALA A 93 -8.330 1.613 4.230 1.00 30.24 O ATOM 1430 CB ALA A 93 -7.978 -1.391 4.730 1.00 64.13 C ATOM 0 H ALA A 93 -7.633 -2.186 2.418 1.00 54.54 H new ATOM 0 HA ALA A 93 -9.644 -0.593 3.652 1.00 31.11 H new ATOM 0 HB1 ALA A 93 -8.179 -0.814 5.633 1.00 64.13 H new ATOM 0 HB2 ALA A 93 -8.433 -2.377 4.820 1.00 64.13 H new ATOM 0 HB3 ALA A 93 -6.901 -1.499 4.601 1.00 64.13 H new ATOM 1436 N GLY A 94 -7.142 0.964 2.435 1.00 63.01 N ATOM 1437 CA GLY A 94 -6.543 2.273 2.249 1.00 73.44 C ATOM 1438 C GLY A 94 -7.119 3.010 1.057 1.00 41.22 C ATOM 1439 O GLY A 94 -7.781 4.038 1.213 1.00 73.24 O ATOM 0 H GLY A 94 -6.852 0.260 1.756 1.00 63.01 H new ATOM 0 HA2 GLY A 94 -6.694 2.869 3.149 1.00 73.44 H new ATOM 0 HA3 GLY A 94 -5.467 2.161 2.118 1.00 73.44 H new ATOM 1443 N LEU A 95 -6.867 2.487 -0.138 1.00 44.42 N ATOM 1444 CA LEU A 95 -7.364 3.104 -1.363 1.00 73.23 C ATOM 1445 C LEU A 95 -8.887 3.180 -1.355 1.00 13.11 C ATOM 1446 O LEU A 95 -9.476 4.115 -1.900 1.00 44.53 O ATOM 1447 CB LEU A 95 -6.889 2.314 -2.584 1.00 12.21 C ATOM 1448 CG LEU A 95 -5.421 2.500 -2.974 1.00 35.41 C ATOM 1449 CD1 LEU A 95 -5.096 3.976 -3.137 1.00 23.32 C ATOM 1450 CD2 LEU A 95 -4.510 1.861 -1.937 1.00 5.31 C ATOM 0 H LEU A 95 -6.322 1.638 -0.285 1.00 44.42 H new ATOM 0 HA LEU A 95 -6.968 4.118 -1.416 1.00 73.23 H new ATOM 0 HB2 LEU A 95 -7.063 1.254 -2.397 1.00 12.21 H new ATOM 0 HB3 LEU A 95 -7.509 2.593 -3.436 1.00 12.21 H new ATOM 0 HG LEU A 95 -5.252 2.005 -3.930 1.00 35.41 H new ATOM 0 HD11 LEU A 95 -4.048 4.089 -3.414 1.00 23.32 H new ATOM 0 HD12 LEU A 95 -5.726 4.403 -3.917 1.00 23.32 H new ATOM 0 HD13 LEU A 95 -5.281 4.495 -2.197 1.00 23.32 H new ATOM 0 HD21 LEU A 95 -3.470 2.003 -2.230 1.00 5.31 H new ATOM 0 HD22 LEU A 95 -4.680 2.327 -0.967 1.00 5.31 H new ATOM 0 HD23 LEU A 95 -4.726 0.795 -1.870 1.00 5.31 H new ATOM 1462 N LEU A 96 -9.521 2.194 -0.732 1.00 21.44 N ATOM 1463 CA LEU A 96 -10.977 2.150 -0.649 1.00 31.31 C ATOM 1464 C LEU A 96 -11.456 2.537 0.746 1.00 24.42 C ATOM 1465 O LEU A 96 -12.656 2.610 1.004 1.00 51.44 O ATOM 1466 CB LEU A 96 -11.486 0.752 -1.006 1.00 4.03 C ATOM 1467 CG LEU A 96 -12.281 0.639 -2.307 1.00 21.02 C ATOM 1468 CD1 LEU A 96 -12.046 -0.714 -2.960 1.00 63.33 C ATOM 1469 CD2 LEU A 96 -13.764 0.857 -2.046 1.00 44.54 C ATOM 0 H LEU A 96 -9.050 1.413 -0.276 1.00 21.44 H new ATOM 0 HA LEU A 96 -11.378 2.870 -1.363 1.00 31.31 H new ATOM 0 HB2 LEU A 96 -10.630 0.080 -1.067 1.00 4.03 H new ATOM 0 HB3 LEU A 96 -12.113 0.396 -0.189 1.00 4.03 H new ATOM 0 HG LEU A 96 -11.935 1.414 -2.991 1.00 21.02 H new ATOM 0 HD11 LEU A 96 -12.620 -0.776 -3.885 1.00 63.33 H new ATOM 0 HD12 LEU A 96 -10.985 -0.831 -3.183 1.00 63.33 H new ATOM 0 HD13 LEU A 96 -12.364 -1.506 -2.282 1.00 63.33 H new ATOM 0 HD21 LEU A 96 -14.315 0.773 -2.983 1.00 44.54 H new ATOM 0 HD22 LEU A 96 -14.124 0.105 -1.345 1.00 44.54 H new ATOM 0 HD23 LEU A 96 -13.917 1.850 -1.623 1.00 44.54 H new ATOM 1481 N ASN A 97 -10.507 2.786 1.644 1.00 70.11 N ATOM 1482 CA ASN A 97 -10.831 3.167 3.013 1.00 11.03 C ATOM 1483 C ASN A 97 -11.829 2.190 3.629 1.00 73.23 C ATOM 1484 O ASN A 97 -12.637 2.564 4.477 1.00 24.15 O ATOM 1485 CB ASN A 97 -11.404 4.585 3.048 1.00 50.52 C ATOM 1486 CG ASN A 97 -10.324 5.647 2.955 1.00 15.11 C ATOM 1487 OD1 ASN A 97 -9.438 5.722 3.806 1.00 41.42 O ATOM 1488 ND2 ASN A 97 -10.395 6.473 1.918 1.00 51.33 N ATOM 0 H ASN A 97 -9.508 2.730 1.447 1.00 70.11 H new ATOM 0 HA ASN A 97 -9.912 3.138 3.598 1.00 11.03 H new ATOM 0 HB2 ASN A 97 -12.106 4.711 2.224 1.00 50.52 H new ATOM 0 HB3 ASN A 97 -11.968 4.724 3.970 1.00 50.52 H new ATOM 0 HD21 ASN A 97 -9.697 7.207 1.802 1.00 51.33 H new ATOM 0 HD22 ASN A 97 -11.148 6.373 1.237 1.00 51.33 H new ATOM 1495 N MET A 98 -11.764 0.935 3.194 1.00 12.30 N ATOM 1496 CA MET A 98 -12.660 -0.096 3.704 1.00 75.34 C ATOM 1497 C MET A 98 -11.903 -1.090 4.578 1.00 31.53 C ATOM 1498 O MET A 98 -11.541 -2.178 4.130 1.00 33.34 O ATOM 1499 CB MET A 98 -13.337 -0.831 2.545 1.00 20.03 C ATOM 1500 CG MET A 98 -14.624 -0.172 2.076 1.00 74.10 C ATOM 1501 SD MET A 98 -15.989 -1.342 1.927 1.00 42.02 S ATOM 1502 CE MET A 98 -17.197 -0.594 3.018 1.00 41.22 C ATOM 0 H MET A 98 -11.101 0.609 2.491 1.00 12.30 H new ATOM 0 HA MET A 98 -13.423 0.389 4.313 1.00 75.34 H new ATOM 0 HB2 MET A 98 -12.642 -0.889 1.707 1.00 20.03 H new ATOM 0 HB3 MET A 98 -13.553 -1.854 2.851 1.00 20.03 H new ATOM 0 HG2 MET A 98 -14.901 0.616 2.777 1.00 74.10 H new ATOM 0 HG3 MET A 98 -14.453 0.305 1.111 1.00 74.10 H new ATOM 0 HE1 MET A 98 -18.101 -1.203 3.033 1.00 41.22 H new ATOM 0 HE2 MET A 98 -16.786 -0.529 4.026 1.00 41.22 H new ATOM 0 HE3 MET A 98 -17.440 0.407 2.660 1.00 41.22 H new ATOM 1512 N THR A 99 -11.667 -0.709 5.830 1.00 50.11 N ATOM 1513 CA THR A 99 -10.952 -1.566 6.768 1.00 52.45 C ATOM 1514 C THR A 99 -11.587 -2.950 6.841 1.00 44.24 C ATOM 1515 O THR A 99 -12.617 -3.139 7.486 1.00 13.23 O ATOM 1516 CB THR A 99 -10.923 -0.952 8.180 1.00 44.43 C ATOM 1517 OG1 THR A 99 -10.441 -1.915 9.123 1.00 73.51 O ATOM 1518 CG2 THR A 99 -12.308 -0.478 8.593 1.00 24.10 C ATOM 0 H THR A 99 -11.961 0.188 6.218 1.00 50.11 H new ATOM 0 HA THR A 99 -9.931 -1.656 6.398 1.00 52.45 H new ATOM 0 HB THR A 99 -10.253 -0.093 8.165 1.00 44.43 H new ATOM 0 HG1 THR A 99 -9.672 -1.545 9.605 1.00 73.51 H new ATOM 0 HG21 THR A 99 -12.262 -0.048 9.594 1.00 24.10 H new ATOM 0 HG22 THR A 99 -12.659 0.277 7.890 1.00 24.10 H new ATOM 0 HG23 THR A 99 -12.997 -1.323 8.592 1.00 24.10 H new ATOM 1526 N VAL A 100 -10.962 -3.917 6.176 1.00 75.52 N ATOM 1527 CA VAL A 100 -11.465 -5.286 6.167 1.00 50.13 C ATOM 1528 C VAL A 100 -11.596 -5.833 7.585 1.00 53.54 C ATOM 1529 O VAL A 100 -10.996 -5.306 8.522 1.00 62.43 O ATOM 1530 CB VAL A 100 -10.546 -6.217 5.353 1.00 35.13 C ATOM 1531 CG1 VAL A 100 -10.367 -5.686 3.938 1.00 14.25 C ATOM 1532 CG2 VAL A 100 -9.203 -6.377 6.046 1.00 44.44 C ATOM 0 H VAL A 100 -10.107 -3.778 5.637 1.00 75.52 H new ATOM 0 HA VAL A 100 -12.449 -5.258 5.698 1.00 50.13 H new ATOM 0 HB VAL A 100 -11.015 -7.199 5.290 1.00 35.13 H new ATOM 0 HG11 VAL A 100 -9.715 -6.356 3.378 1.00 14.25 H new ATOM 0 HG12 VAL A 100 -11.338 -5.628 3.446 1.00 14.25 H new ATOM 0 HG13 VAL A 100 -9.920 -4.693 3.976 1.00 14.25 H new ATOM 0 HG21 VAL A 100 -8.566 -7.038 5.458 1.00 44.44 H new ATOM 0 HG22 VAL A 100 -8.724 -5.402 6.142 1.00 44.44 H new ATOM 0 HG23 VAL A 100 -9.354 -6.806 7.037 1.00 44.44 H new ATOM 1542 N SER A 101 -12.384 -6.892 7.734 1.00 30.20 N ATOM 1543 CA SER A 101 -12.597 -7.509 9.038 1.00 11.40 C ATOM 1544 C SER A 101 -11.380 -8.330 9.456 1.00 54.51 C ATOM 1545 O SER A 101 -10.943 -8.274 10.606 1.00 54.14 O ATOM 1546 CB SER A 101 -13.841 -8.399 9.008 1.00 4.30 C ATOM 1547 OG SER A 101 -14.961 -7.693 8.500 1.00 24.53 O ATOM 0 H SER A 101 -12.886 -7.341 6.968 1.00 30.20 H new ATOM 0 HA SER A 101 -12.746 -6.714 9.769 1.00 11.40 H new ATOM 0 HB2 SER A 101 -13.649 -9.276 8.390 1.00 4.30 H new ATOM 0 HB3 SER A 101 -14.059 -8.759 10.014 1.00 4.30 H new ATOM 0 HG SER A 101 -15.743 -8.284 8.489 1.00 24.53 H new ATOM 1553 N THR A 102 -10.837 -9.093 8.512 1.00 63.41 N ATOM 1554 CA THR A 102 -9.673 -9.927 8.780 1.00 22.30 C ATOM 1555 C THR A 102 -8.738 -9.970 7.577 1.00 61.21 C ATOM 1556 O THR A 102 -9.170 -9.802 6.437 1.00 72.21 O ATOM 1557 CB THR A 102 -10.083 -11.365 9.148 1.00 33.21 C ATOM 1558 OG1 THR A 102 -10.518 -12.065 7.977 1.00 1.02 O ATOM 1559 CG2 THR A 102 -11.197 -11.361 10.185 1.00 30.42 C ATOM 0 H THR A 102 -11.185 -9.150 7.555 1.00 63.41 H new ATOM 0 HA THR A 102 -9.152 -9.478 9.626 1.00 22.30 H new ATOM 0 HB THR A 102 -9.215 -11.870 9.572 1.00 33.21 H new ATOM 0 HG1 THR A 102 -11.295 -12.620 8.197 1.00 1.02 H new ATOM 0 HG21 THR A 102 -11.470 -12.387 10.430 1.00 30.42 H new ATOM 0 HG22 THR A 102 -10.854 -10.852 11.086 1.00 30.42 H new ATOM 0 HG23 THR A 102 -12.066 -10.840 9.783 1.00 30.42 H new ATOM 1567 N ALA A 103 -7.455 -10.196 7.838 1.00 62.25 N ATOM 1568 CA ALA A 103 -6.460 -10.264 6.775 1.00 23.51 C ATOM 1569 C ALA A 103 -6.886 -11.242 5.685 1.00 12.12 C ATOM 1570 O ALA A 103 -6.685 -10.987 4.497 1.00 24.45 O ATOM 1571 CB ALA A 103 -5.106 -10.664 7.344 1.00 12.50 C ATOM 0 H ALA A 103 -7.080 -10.335 8.776 1.00 62.25 H new ATOM 0 HA ALA A 103 -6.376 -9.274 6.327 1.00 23.51 H new ATOM 0 HB1 ALA A 103 -4.373 -10.711 6.539 1.00 12.50 H new ATOM 0 HB2 ALA A 103 -4.789 -9.926 8.081 1.00 12.50 H new ATOM 0 HB3 ALA A 103 -5.186 -11.642 7.820 1.00 12.50 H new ATOM 1577 N ALA A 104 -7.475 -12.360 6.097 1.00 52.24 N ATOM 1578 CA ALA A 104 -7.932 -13.373 5.154 1.00 62.54 C ATOM 1579 C ALA A 104 -9.069 -12.847 4.288 1.00 14.22 C ATOM 1580 O ALA A 104 -9.131 -13.125 3.090 1.00 21.55 O ATOM 1581 CB ALA A 104 -8.369 -14.626 5.899 1.00 61.53 C ATOM 0 H ALA A 104 -7.647 -12.587 7.077 1.00 52.24 H new ATOM 0 HA ALA A 104 -7.099 -13.624 4.497 1.00 62.54 H new ATOM 0 HB1 ALA A 104 -8.708 -15.375 5.183 1.00 61.53 H new ATOM 0 HB2 ALA A 104 -7.528 -15.023 6.468 1.00 61.53 H new ATOM 0 HB3 ALA A 104 -9.184 -14.379 6.579 1.00 61.53 H new ATOM 1587 N ALA A 105 -9.969 -12.083 4.900 1.00 50.24 N ATOM 1588 CA ALA A 105 -11.103 -11.515 4.184 1.00 35.12 C ATOM 1589 C ALA A 105 -10.640 -10.611 3.047 1.00 65.51 C ATOM 1590 O ALA A 105 -11.197 -10.641 1.950 1.00 63.42 O ATOM 1591 CB ALA A 105 -12.001 -10.744 5.142 1.00 60.34 C ATOM 0 H ALA A 105 -9.934 -11.844 5.891 1.00 50.24 H new ATOM 0 HA ALA A 105 -11.673 -12.336 3.750 1.00 35.12 H new ATOM 0 HB1 ALA A 105 -12.844 -10.325 4.593 1.00 60.34 H new ATOM 0 HB2 ALA A 105 -12.370 -11.417 5.916 1.00 60.34 H new ATOM 0 HB3 ALA A 105 -11.432 -9.937 5.604 1.00 60.34 H new ATOM 1597 N ALA A 106 -9.617 -9.807 3.317 1.00 43.33 N ATOM 1598 CA ALA A 106 -9.077 -8.895 2.316 1.00 3.04 C ATOM 1599 C ALA A 106 -8.469 -9.661 1.146 1.00 32.40 C ATOM 1600 O ALA A 106 -8.820 -9.426 -0.009 1.00 53.42 O ATOM 1601 CB ALA A 106 -8.038 -7.977 2.945 1.00 55.14 C ATOM 0 H ALA A 106 -9.145 -9.769 4.221 1.00 43.33 H new ATOM 0 HA ALA A 106 -9.898 -8.289 1.932 1.00 3.04 H new ATOM 0 HB1 ALA A 106 -7.643 -7.301 2.187 1.00 55.14 H new ATOM 0 HB2 ALA A 106 -8.501 -7.396 3.743 1.00 55.14 H new ATOM 0 HB3 ALA A 106 -7.225 -8.575 3.357 1.00 55.14 H new ATOM 1607 N GLU A 107 -7.557 -10.578 1.454 1.00 2.05 N ATOM 1608 CA GLU A 107 -6.901 -11.377 0.426 1.00 64.43 C ATOM 1609 C GLU A 107 -7.929 -12.091 -0.447 1.00 44.23 C ATOM 1610 O GLU A 107 -7.806 -12.119 -1.671 1.00 14.14 O ATOM 1611 CB GLU A 107 -5.961 -12.401 1.067 1.00 13.24 C ATOM 1612 CG GLU A 107 -5.402 -13.414 0.083 1.00 2.03 C ATOM 1613 CD GLU A 107 -5.893 -14.822 0.353 1.00 62.31 C ATOM 1614 OE1 GLU A 107 -6.359 -15.480 -0.601 1.00 31.54 O ATOM 1615 OE2 GLU A 107 -5.812 -15.267 1.518 1.00 42.45 O ATOM 0 H GLU A 107 -7.256 -10.786 2.406 1.00 2.05 H new ATOM 0 HA GLU A 107 -6.319 -10.704 -0.204 1.00 64.43 H new ATOM 0 HB2 GLU A 107 -5.134 -11.874 1.542 1.00 13.24 H new ATOM 0 HB3 GLU A 107 -6.497 -12.930 1.855 1.00 13.24 H new ATOM 0 HG2 GLU A 107 -5.682 -13.124 -0.930 1.00 2.03 H new ATOM 0 HG3 GLU A 107 -4.313 -13.398 0.130 1.00 2.03 H new ATOM 1622 N ASN A 108 -8.941 -12.667 0.192 1.00 24.33 N ATOM 1623 CA ASN A 108 -9.991 -13.383 -0.525 1.00 64.11 C ATOM 1624 C ASN A 108 -10.851 -12.418 -1.335 1.00 0.54 C ATOM 1625 O ASN A 108 -11.324 -12.753 -2.420 1.00 71.43 O ATOM 1626 CB ASN A 108 -10.866 -14.165 0.457 1.00 73.31 C ATOM 1627 CG ASN A 108 -11.526 -15.368 -0.190 1.00 3.12 C ATOM 1628 OD1 ASN A 108 -10.925 -16.437 -0.298 1.00 4.52 O ATOM 1629 ND2 ASN A 108 -12.769 -15.198 -0.624 1.00 31.33 N ATOM 0 H ASN A 108 -9.057 -12.652 1.205 1.00 24.33 H new ATOM 0 HA ASN A 108 -9.516 -14.082 -1.213 1.00 64.11 H new ATOM 0 HB2 ASN A 108 -10.257 -14.496 1.298 1.00 73.31 H new ATOM 0 HB3 ASN A 108 -11.634 -13.505 0.860 1.00 73.31 H new ATOM 0 HD21 ASN A 108 -13.264 -15.971 -1.068 1.00 31.33 H new ATOM 0 HD22 ASN A 108 -13.229 -14.294 -0.514 1.00 31.33 H new ATOM 1636 N MET A 109 -11.049 -11.218 -0.797 1.00 74.45 N ATOM 1637 CA MET A 109 -11.852 -10.204 -1.471 1.00 14.20 C ATOM 1638 C MET A 109 -11.208 -9.788 -2.789 1.00 73.43 C ATOM 1639 O MET A 109 -11.866 -9.753 -3.830 1.00 4.00 O ATOM 1640 CB MET A 109 -12.029 -8.981 -0.569 1.00 33.11 C ATOM 1641 CG MET A 109 -13.374 -8.937 0.138 1.00 72.41 C ATOM 1642 SD MET A 109 -13.864 -7.263 0.596 1.00 0.11 S ATOM 1643 CE MET A 109 -15.585 -7.518 1.018 1.00 52.41 C ATOM 0 H MET A 109 -10.665 -10.925 0.101 1.00 74.45 H new ATOM 0 HA MET A 109 -12.830 -10.634 -1.685 1.00 14.20 H new ATOM 0 HB2 MET A 109 -11.235 -8.972 0.178 1.00 33.11 H new ATOM 0 HB3 MET A 109 -11.913 -8.078 -1.168 1.00 33.11 H new ATOM 0 HG2 MET A 109 -14.135 -9.369 -0.511 1.00 72.41 H new ATOM 0 HG3 MET A 109 -13.330 -9.556 1.034 1.00 72.41 H new ATOM 0 HE1 MET A 109 -16.029 -6.570 1.323 1.00 52.41 H new ATOM 0 HE2 MET A 109 -16.119 -7.906 0.151 1.00 52.41 H new ATOM 0 HE3 MET A 109 -15.657 -8.233 1.838 1.00 52.41 H new ATOM 1653 N TYR A 110 -9.918 -9.474 -2.740 1.00 0.44 N ATOM 1654 CA TYR A 110 -9.185 -9.058 -3.930 1.00 32.14 C ATOM 1655 C TYR A 110 -9.194 -10.158 -4.987 1.00 21.44 C ATOM 1656 O TYR A 110 -9.526 -9.917 -6.147 1.00 62.32 O ATOM 1657 CB TYR A 110 -7.745 -8.694 -3.567 1.00 45.00 C ATOM 1658 CG TYR A 110 -7.457 -7.211 -3.643 1.00 21.54 C ATOM 1659 CD1 TYR A 110 -8.360 -6.283 -3.140 1.00 0.13 C ATOM 1660 CD2 TYR A 110 -6.283 -6.741 -4.216 1.00 52.34 C ATOM 1661 CE1 TYR A 110 -8.102 -4.927 -3.208 1.00 24.35 C ATOM 1662 CE2 TYR A 110 -6.016 -5.387 -4.286 1.00 53.34 C ATOM 1663 CZ TYR A 110 -6.928 -4.484 -3.781 1.00 2.03 C ATOM 1664 OH TYR A 110 -6.667 -3.135 -3.850 1.00 21.01 O ATOM 0 H TYR A 110 -9.358 -9.500 -1.888 1.00 0.44 H new ATOM 0 HA TYR A 110 -9.681 -8.179 -4.343 1.00 32.14 H new ATOM 0 HB2 TYR A 110 -7.534 -9.045 -2.557 1.00 45.00 H new ATOM 0 HB3 TYR A 110 -7.066 -9.222 -4.236 1.00 45.00 H new ATOM 0 HD1 TYR A 110 -9.279 -6.627 -2.688 1.00 0.13 H new ATOM 0 HD2 TYR A 110 -5.567 -7.445 -4.613 1.00 52.34 H new ATOM 0 HE1 TYR A 110 -8.816 -4.218 -2.815 1.00 24.35 H new ATOM 0 HE2 TYR A 110 -5.098 -5.038 -4.734 1.00 53.34 H new ATOM 0 HH TYR A 110 -7.095 -2.680 -3.095 1.00 21.01 H new ATOM 1674 N SER A 111 -8.826 -11.368 -4.575 1.00 42.20 N ATOM 1675 CA SER A 111 -8.787 -12.506 -5.486 1.00 3.24 C ATOM 1676 C SER A 111 -10.174 -12.796 -6.052 1.00 50.22 C ATOM 1677 O SER A 111 -10.334 -12.998 -7.256 1.00 2.25 O ATOM 1678 CB SER A 111 -8.249 -13.744 -4.766 1.00 42.01 C ATOM 1679 OG SER A 111 -7.943 -14.776 -5.687 1.00 72.33 O ATOM 0 H SER A 111 -8.551 -11.585 -3.617 1.00 42.20 H new ATOM 0 HA SER A 111 -8.121 -12.256 -6.312 1.00 3.24 H new ATOM 0 HB2 SER A 111 -7.355 -13.480 -4.200 1.00 42.01 H new ATOM 0 HB3 SER A 111 -8.987 -14.100 -4.048 1.00 42.01 H new ATOM 0 HG SER A 111 -7.600 -15.556 -5.203 1.00 72.33 H new ATOM 1685 N GLN A 112 -11.172 -12.814 -5.176 1.00 31.42 N ATOM 1686 CA GLN A 112 -12.546 -13.080 -5.588 1.00 41.12 C ATOM 1687 C GLN A 112 -13.007 -12.067 -6.632 1.00 1.20 C ATOM 1688 O GLN A 112 -13.789 -12.393 -7.524 1.00 23.22 O ATOM 1689 CB GLN A 112 -13.480 -13.043 -4.378 1.00 62.20 C ATOM 1690 CG GLN A 112 -14.926 -13.374 -4.714 1.00 44.43 C ATOM 1691 CD GLN A 112 -15.814 -12.147 -4.739 1.00 0.23 C ATOM 1692 OE1 GLN A 112 -15.960 -11.451 -3.734 1.00 23.32 O ATOM 1693 NE2 GLN A 112 -16.415 -11.873 -5.892 1.00 4.15 N ATOM 0 H GLN A 112 -11.056 -12.648 -4.176 1.00 31.42 H new ATOM 0 HA GLN A 112 -12.579 -14.074 -6.033 1.00 41.12 H new ATOM 0 HB2 GLN A 112 -13.119 -13.748 -3.629 1.00 62.20 H new ATOM 0 HB3 GLN A 112 -13.438 -12.051 -3.928 1.00 62.20 H new ATOM 0 HG2 GLN A 112 -14.966 -13.867 -5.686 1.00 44.43 H new ATOM 0 HG3 GLN A 112 -15.312 -14.083 -3.981 1.00 44.43 H new ATOM 0 HE21 GLN A 112 -16.266 -12.477 -6.701 1.00 4.15 H new ATOM 0 HE22 GLN A 112 -17.025 -11.059 -5.968 1.00 4.15 H new ATOM 1702 N MET A 113 -12.516 -10.838 -6.513 1.00 40.34 N ATOM 1703 CA MET A 113 -12.877 -9.778 -7.447 1.00 52.22 C ATOM 1704 C MET A 113 -12.106 -9.921 -8.756 1.00 4.33 C ATOM 1705 O MET A 113 -12.559 -9.469 -9.806 1.00 54.15 O ATOM 1706 CB MET A 113 -12.603 -8.407 -6.827 1.00 3.34 C ATOM 1707 CG MET A 113 -13.865 -7.636 -6.473 1.00 21.10 C ATOM 1708 SD MET A 113 -13.761 -6.837 -4.860 1.00 52.30 S ATOM 1709 CE MET A 113 -12.609 -5.511 -5.214 1.00 21.25 C ATOM 0 H MET A 113 -11.868 -10.552 -5.780 1.00 40.34 H new ATOM 0 HA MET A 113 -13.942 -9.865 -7.662 1.00 52.22 H new ATOM 0 HB2 MET A 113 -12.003 -8.538 -5.927 1.00 3.34 H new ATOM 0 HB3 MET A 113 -12.009 -7.815 -7.523 1.00 3.34 H new ATOM 0 HG2 MET A 113 -14.051 -6.881 -7.237 1.00 21.10 H new ATOM 0 HG3 MET A 113 -14.717 -8.316 -6.483 1.00 21.10 H new ATOM 0 HE1 MET A 113 -11.737 -5.604 -4.567 1.00 21.25 H new ATOM 0 HE2 MET A 113 -12.295 -5.570 -6.256 1.00 21.25 H new ATOM 0 HE3 MET A 113 -13.093 -4.551 -5.035 1.00 21.25 H new ATOM 1719 N GLY A 114 -10.938 -10.551 -8.684 1.00 20.03 N ATOM 1720 CA GLY A 114 -10.123 -10.741 -9.870 1.00 21.31 C ATOM 1721 C GLY A 114 -8.852 -9.915 -9.838 1.00 64.42 C ATOM 1722 O GLY A 114 -8.305 -9.563 -10.884 1.00 25.30 O ATOM 0 H GLY A 114 -10.541 -10.933 -7.826 1.00 20.03 H new ATOM 0 HA2 GLY A 114 -9.865 -11.796 -9.965 1.00 21.31 H new ATOM 0 HA3 GLY A 114 -10.704 -10.474 -10.753 1.00 21.31 H new ATOM 1726 N LEU A 115 -8.381 -9.603 -8.635 1.00 74.41 N ATOM 1727 CA LEU A 115 -7.167 -8.812 -8.471 1.00 44.21 C ATOM 1728 C LEU A 115 -5.965 -9.710 -8.195 1.00 1.44 C ATOM 1729 O LEU A 115 -4.905 -9.548 -8.799 1.00 51.10 O ATOM 1730 CB LEU A 115 -7.340 -7.806 -7.331 1.00 34.20 C ATOM 1731 CG LEU A 115 -8.243 -6.609 -7.625 1.00 14.43 C ATOM 1732 CD1 LEU A 115 -9.408 -6.565 -6.647 1.00 42.24 C ATOM 1733 CD2 LEU A 115 -7.447 -5.313 -7.566 1.00 4.12 C ATOM 0 H LEU A 115 -8.822 -9.886 -7.760 1.00 74.41 H new ATOM 0 HA LEU A 115 -6.987 -8.271 -9.400 1.00 44.21 H new ATOM 0 HB2 LEU A 115 -7.740 -8.334 -6.465 1.00 34.20 H new ATOM 0 HB3 LEU A 115 -6.355 -7.433 -7.050 1.00 34.20 H new ATOM 0 HG LEU A 115 -8.645 -6.721 -8.632 1.00 14.43 H new ATOM 0 HD11 LEU A 115 -10.040 -5.706 -6.872 1.00 42.24 H new ATOM 0 HD12 LEU A 115 -9.994 -7.480 -6.737 1.00 42.24 H new ATOM 0 HD13 LEU A 115 -9.026 -6.478 -5.630 1.00 42.24 H new ATOM 0 HD21 LEU A 115 -8.106 -4.471 -7.778 1.00 4.12 H new ATOM 0 HD22 LEU A 115 -7.016 -5.195 -6.572 1.00 4.12 H new ATOM 0 HD23 LEU A 115 -6.647 -5.343 -8.306 1.00 4.12 H new ATOM 1745 N ASP A 116 -6.139 -10.656 -7.279 1.00 1.32 N ATOM 1746 CA ASP A 116 -5.069 -11.582 -6.924 1.00 0.23 C ATOM 1747 C ASP A 116 -4.707 -12.473 -8.109 1.00 31.41 C ATOM 1748 O ASP A 116 -3.579 -12.955 -8.215 1.00 43.32 O ATOM 1749 CB ASP A 116 -5.486 -12.443 -5.731 1.00 31.44 C ATOM 1750 CG ASP A 116 -4.297 -12.962 -4.947 1.00 60.45 C ATOM 1751 OD1 ASP A 116 -3.228 -12.317 -4.994 1.00 33.10 O ATOM 1752 OD2 ASP A 116 -4.435 -14.013 -4.286 1.00 41.34 O ATOM 0 H ASP A 116 -7.010 -10.802 -6.769 1.00 1.32 H new ATOM 0 HA ASP A 116 -4.191 -10.997 -6.650 1.00 0.23 H new ATOM 0 HB2 ASP A 116 -6.125 -11.858 -5.070 1.00 31.44 H new ATOM 0 HB3 ASP A 116 -6.080 -13.286 -6.085 1.00 31.44 H new ATOM 1757 N THR A 117 -5.672 -12.689 -8.997 1.00 40.23 N ATOM 1758 CA THR A 117 -5.456 -13.524 -10.172 1.00 52.10 C ATOM 1759 C THR A 117 -5.059 -14.940 -9.775 1.00 20.20 C ATOM 1760 O THR A 117 -3.882 -15.300 -9.818 1.00 35.20 O ATOM 1761 CB THR A 117 -4.366 -12.934 -11.087 1.00 63.12 C ATOM 1762 OG1 THR A 117 -4.570 -11.526 -11.248 1.00 50.11 O ATOM 1763 CG2 THR A 117 -4.377 -13.612 -12.448 1.00 74.43 C ATOM 0 H THR A 117 -6.611 -12.297 -8.925 1.00 40.23 H new ATOM 0 HA THR A 117 -6.400 -13.554 -10.716 1.00 52.10 H new ATOM 0 HB THR A 117 -3.397 -13.109 -10.619 1.00 63.12 H new ATOM 0 HG1 THR A 117 -3.890 -11.037 -10.739 1.00 50.11 H new ATOM 0 HG21 THR A 117 -3.599 -13.179 -13.077 1.00 74.43 H new ATOM 0 HG22 THR A 117 -4.192 -14.679 -12.324 1.00 74.43 H new ATOM 0 HG23 THR A 117 -5.348 -13.465 -12.920 1.00 74.43 H new ATOM 1771 N ARG A 118 -6.047 -15.741 -9.388 1.00 21.21 N ATOM 1772 CA ARG A 118 -5.799 -17.120 -8.983 1.00 11.13 C ATOM 1773 C ARG A 118 -6.966 -18.021 -9.378 1.00 51.33 C ATOM 1774 O ARG A 118 -7.716 -18.513 -8.535 1.00 41.24 O ATOM 1775 CB ARG A 118 -5.572 -17.196 -7.472 1.00 43.02 C ATOM 1776 CG ARG A 118 -4.121 -16.998 -7.063 1.00 41.31 C ATOM 1777 CD ARG A 118 -3.452 -18.321 -6.726 1.00 21.24 C ATOM 1778 NE ARG A 118 -3.354 -19.198 -7.889 1.00 53.13 N ATOM 1779 CZ ARG A 118 -2.491 -19.009 -8.881 1.00 15.22 C ATOM 1780 NH1 ARG A 118 -1.656 -17.979 -8.851 1.00 23.13 N ATOM 1781 NH2 ARG A 118 -2.462 -19.851 -9.907 1.00 5.44 N ATOM 0 H ARG A 118 -7.026 -15.459 -9.346 1.00 21.21 H new ATOM 0 HA ARG A 118 -4.903 -17.468 -9.497 1.00 11.13 H new ATOM 0 HB2 ARG A 118 -6.185 -16.439 -6.983 1.00 43.02 H new ATOM 0 HB3 ARG A 118 -5.914 -18.166 -7.110 1.00 43.02 H new ATOM 0 HG2 ARG A 118 -3.577 -16.510 -7.872 1.00 41.31 H new ATOM 0 HG3 ARG A 118 -4.072 -16.334 -6.200 1.00 41.31 H new ATOM 0 HD2 ARG A 118 -2.454 -18.132 -6.330 1.00 21.24 H new ATOM 0 HD3 ARG A 118 -4.017 -18.823 -5.940 1.00 21.24 H new ATOM 0 HE ARG A 118 -3.982 -20.000 -7.943 1.00 53.13 H new ATOM 0 HH11 ARG A 118 -1.675 -17.329 -8.065 1.00 23.13 H new ATOM 0 HH12 ARG A 118 -0.994 -17.836 -9.614 1.00 23.13 H new ATOM 0 HH21 ARG A 118 -3.103 -20.644 -9.934 1.00 5.44 H new ATOM 0 HH22 ARG A 118 -1.799 -19.705 -10.668 1.00 5.44 H new ATOM 1795 N PRO A 119 -7.124 -18.241 -10.692 1.00 43.33 N ATOM 1796 CA PRO A 119 -8.195 -19.084 -11.230 1.00 34.25 C ATOM 1797 C PRO A 119 -7.991 -20.560 -10.906 1.00 72.13 C ATOM 1798 O PRO A 119 -7.081 -20.921 -10.160 1.00 52.44 O ATOM 1799 CB PRO A 119 -8.108 -18.850 -12.740 1.00 2.25 C ATOM 1800 CG PRO A 119 -6.694 -18.447 -12.978 1.00 44.55 C ATOM 1801 CD PRO A 119 -6.267 -17.686 -11.754 1.00 25.41 C ATOM 0 HA PRO A 119 -9.165 -18.832 -10.802 1.00 34.25 H new ATOM 0 HB2 PRO A 119 -8.362 -19.753 -13.296 1.00 2.25 H new ATOM 0 HB3 PRO A 119 -8.801 -18.072 -13.061 1.00 2.25 H new ATOM 0 HG2 PRO A 119 -6.061 -19.320 -13.135 1.00 44.55 H new ATOM 0 HG3 PRO A 119 -6.610 -17.828 -13.871 1.00 44.55 H new ATOM 0 HD2 PRO A 119 -5.209 -17.835 -11.536 1.00 25.41 H new ATOM 0 HD3 PRO A 119 -6.419 -16.613 -11.874 1.00 25.41 H new TER 1809 PRO A 119 HETATM 1810 C1 MYR A 201 7.124 13.655 3.139 1.00 25.11 C HETATM 1811 O1 MYR A 201 7.255 13.542 1.921 1.00 65.43 O HETATM 1812 C2 MYR A 201 6.155 12.714 3.856 1.00 24.42 C HETATM 1813 C3 MYR A 201 5.024 12.153 2.963 1.00 70.32 C HETATM 1814 C4 MYR A 201 4.195 11.075 3.686 1.00 51.24 C HETATM 1815 C5 MYR A 201 3.675 9.997 2.717 1.00 64.32 C HETATM 1816 C6 MYR A 201 4.159 8.586 3.103 1.00 61.21 C HETATM 1817 C7 MYR A 201 3.333 7.479 2.418 1.00 3.15 C HETATM 1818 C8 MYR A 201 3.602 7.404 0.904 1.00 71.32 C HETATM 1819 C9 MYR A 201 2.601 6.483 0.180 1.00 4.43 C HETATM 1820 C10 MYR A 201 2.738 5.010 0.619 1.00 2.12 C HETATM 1821 C11 MYR A 201 1.407 4.231 0.652 1.00 11.13 C HETATM 1822 C12 MYR A 201 1.568 2.697 0.611 1.00 35.13 C HETATM 1823 C13 MYR A 201 0.971 2.082 -0.667 1.00 33.10 C HETATM 1824 C14 MYR A 201 0.763 0.568 -0.528 1.00 14.12 C HETATM 0 H143 MYR A 201 1.721 0.086 -0.332 1.00 14.12 H new HETATM 0 H142 MYR A 201 0.080 0.369 0.298 1.00 14.12 H new HETATM 0 H141 MYR A 201 0.340 0.173 -1.451 1.00 14.12 H new HETATM 0 H132 MYR A 201 0.017 2.561 -0.890 1.00 33.10 H new HETATM 0 H131 MYR A 201 1.633 2.282 -1.510 1.00 33.10 H new HETATM 0 H122 MYR A 201 2.626 2.443 0.674 1.00 35.13 H new HETATM 0 H121 MYR A 201 1.083 2.259 1.483 1.00 35.13 H new HETATM 0 H112 MYR A 201 0.862 4.503 1.556 1.00 11.13 H new HETATM 0 H111 MYR A 201 0.796 4.543 -0.195 1.00 11.13 H new HETATM 0 H102 MYR A 201 3.425 4.504 -0.059 1.00 2.12 H new HETATM 0 H101 MYR A 201 3.188 4.979 1.611 1.00 2.12 H new HETATM 0 H92 MYR A 201 1.586 6.826 0.379 1.00 4.43 H new HETATM 0 H91 MYR A 201 2.757 6.555 -0.896 1.00 4.43 H new HETATM 0 H82 MYR A 201 3.546 8.405 0.477 1.00 71.32 H new HETATM 0 H81 MYR A 201 4.616 7.041 0.734 1.00 71.32 H new HETATM 0 H72 MYR A 201 3.568 6.518 2.875 1.00 3.15 H new HETATM 0 H71 MYR A 201 2.272 7.662 2.588 1.00 3.15 H new HETATM 0 H62 MYR A 201 5.208 8.476 2.829 1.00 61.21 H new HETATM 0 H61 MYR A 201 4.098 8.466 4.185 1.00 61.21 H new HETATM 0 H52 MYR A 201 2.585 10.015 2.707 1.00 64.32 H new HETATM 0 H51 MYR A 201 4.007 10.229 1.705 1.00 64.32 H new HETATM 0 H42 MYR A 201 4.806 10.605 4.457 1.00 51.24 H new HETATM 0 H41 MYR A 201 3.351 11.545 4.191 1.00 51.24 H new HETATM 0 H32 MYR A 201 4.368 12.967 2.655 1.00 70.32 H new HETATM 0 H31 MYR A 201 5.455 11.730 2.056 1.00 70.32 H new HETATM 0 H22 MYR A 201 6.720 11.880 4.271 1.00 24.42 H new HETATM 0 H21 MYR A 201 5.707 13.245 4.696 1.00 24.42 H new