USER MOD reduce.3.24.130724 H: found=0, std=0, add=665, rem=0, adj=15 USER MOD reduce.3.24.130724 removed 662 hydrogens (0 hets) USER MOD ----------------------------------------------------------------- USER MOD scores for adjustable sidechains, with "set" totals for H,N and Q USER MOD "o" means original, "f" means flipped, "180deg" is methyl default USER MOD "!" flags a clash with an overlap of 0.40A or greater USER MOD flip categories: "K"=keep, "C"=clashes, "X"=uncertain, "F"=flip USER MOD Set 1.1: A 67 THR OG1 : rot 180:sc= 0 USER MOD Set 1.2: A 68 HIS : no HD1:sc= -0.963 K(o=-0.96,f=-0.27) USER MOD Set 2.1: A 48 CYS SG : rot 77:sc= 0.217 USER MOD Set 2.2: A 54 SER OG : rot 72:sc= 0.802 USER MOD Single : A 1 ALA N :NH3+ 172:sc= 1.21 (180deg=1.17) USER MOD Single : A 3 HIS : no HD1:sc= -0.303 X(o=-0.3,f=-0.0036) USER MOD Single : A 12 GLN : amide:sc= -0.0809 X(o=-0.081,f=-0.085) USER MOD Single : A 13 TYR OH : rot 180:sc= 0 USER MOD Single : A 14 GLN : amide:sc= 1.26 K(o=1.3,f=-0.00016) USER MOD Single : A 15 GLN : amide:sc= 0.878 K(o=0.88,f=-0.056) USER MOD Single : A 17 HIS : no HD1:sc=-0.000198 X(o=-0.0002,f=-0.016) USER MOD Single : A 19 GLN : amide:sc= 0 X(o=0,f=-0.091) USER MOD Single : A 23 ASN : amide:sc= 0.879 K(o=0.88,f=-2.3!) USER MOD Single : A 27 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 30 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 35 THR OG1 : rot 180:sc= 0 USER MOD Single : A 40 LYS NZ :NH3+ -158:sc= 1.04 (180deg=0.678) USER MOD Single : A 41 ASN : amide:sc= 1.07 K(o=1.1,f=-0.038) USER MOD Single : A 43 THR OG1 : rot 84:sc= 1.19 USER MOD Single : A 45 LYS NZ :NH3+ 173:sc= 1.28 (180deg=1.2) USER MOD Single : A 47 TYR OH : rot -15:sc= -0.0106 USER MOD Single : A 49 ASN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 53 GLN : amide:sc= -1.22 K(o=-1.2,f=-5.3!) USER MOD Single : A 56 GLN : amide:sc= 0.0902 X(o=0.09,f=-0.18) USER MOD Single : A 58 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 62 SER OG : rot 59:sc= 1.26 USER MOD Single : A 64 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 66 TYR OH : rot 176:sc= 1.28 USER MOD Single : A 71 ASN : amide:sc= 1.13 K(o=1.1,f=0.0024) USER MOD Single : A 76 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 80 MET CE :methyl 176:sc= 0 (180deg=-0.0187) USER MOD Single : A 82 LYS NZ :NH3+ -178:sc= 1.87 (180deg=1.85) USER MOD Single : A 84 LYS NZ :NH3+ 143:sc= 1.34 (180deg=0.48) USER MOD ----------------------------------------------------------------- ATOM 1 N ALA A 1 5.705 0.425 -2.963 1.00 0.00 N ATOM 2 CA ALA A 1 4.276 0.102 -2.777 1.00 0.00 C ATOM 3 C ALA A 1 3.468 0.712 -3.933 1.00 0.00 C ATOM 4 O ALA A 1 4.011 0.937 -5.022 1.00 0.00 O ATOM 5 CB ALA A 1 3.789 0.556 -1.386 1.00 0.00 C ATOM 0 H1 ALA A 1 6.239 0.134 -2.119 1.00 0.00 H new ATOM 0 H2 ALA A 1 6.070 -0.081 -3.795 1.00 0.00 H new ATOM 0 H3 ALA A 1 5.814 1.449 -3.105 1.00 0.00 H new ATOM 0 HA ALA A 1 4.127 -0.977 -2.805 1.00 0.00 H new ATOM 0 HB1 ALA A 1 2.734 0.308 -1.271 1.00 0.00 H new ATOM 0 HB2 ALA A 1 4.367 0.048 -0.614 1.00 0.00 H new ATOM 0 HB3 ALA A 1 3.921 1.634 -1.288 1.00 0.00 H new ATOM 13 N GLU A 2 2.169 0.958 -3.739 1.00 0.00 N ATOM 14 CA GLU A 2 1.305 1.617 -4.707 1.00 0.00 C ATOM 15 C GLU A 2 0.255 2.462 -3.979 1.00 0.00 C ATOM 16 O GLU A 2 0.067 2.321 -2.767 1.00 0.00 O ATOM 17 CB GLU A 2 0.649 0.581 -5.649 1.00 0.00 C ATOM 18 CG GLU A 2 -0.419 -0.337 -5.027 1.00 0.00 C ATOM 19 CD GLU A 2 0.158 -1.360 -4.029 1.00 0.00 C ATOM 20 OE1 GLU A 2 0.818 -2.333 -4.461 1.00 0.00 O ATOM 21 OE2 GLU A 2 -0.076 -1.226 -2.807 1.00 0.00 O ATOM 0 H GLU A 2 1.683 0.696 -2.882 1.00 0.00 H new ATOM 0 HA GLU A 2 1.906 2.283 -5.326 1.00 0.00 H new ATOM 0 HB2 GLU A 2 0.194 1.118 -6.482 1.00 0.00 H new ATOM 0 HB3 GLU A 2 1.436 -0.047 -6.066 1.00 0.00 H new ATOM 0 HG2 GLU A 2 -1.163 0.276 -4.518 1.00 0.00 H new ATOM 0 HG3 GLU A 2 -0.937 -0.871 -5.824 1.00 0.00 H new ATOM 28 N HIS A 3 -0.468 3.287 -4.739 1.00 0.00 N ATOM 29 CA HIS A 3 -1.658 4.006 -4.305 1.00 0.00 C ATOM 30 C HIS A 3 -2.685 3.917 -5.433 1.00 0.00 C ATOM 31 O HIS A 3 -2.313 3.908 -6.611 1.00 0.00 O ATOM 32 CB HIS A 3 -1.327 5.476 -3.996 1.00 0.00 C ATOM 33 CG HIS A 3 -0.557 5.675 -2.714 1.00 0.00 C ATOM 34 ND1 HIS A 3 -1.091 5.901 -1.464 1.00 0.00 N ATOM 35 CD2 HIS A 3 0.805 5.694 -2.578 1.00 0.00 C ATOM 36 CE1 HIS A 3 -0.075 6.053 -0.598 1.00 0.00 C ATOM 37 NE2 HIS A 3 1.109 5.935 -1.230 1.00 0.00 N ATOM 0 H HIS A 3 -0.227 3.477 -5.712 1.00 0.00 H new ATOM 0 HA HIS A 3 -2.052 3.564 -3.390 1.00 0.00 H new ATOM 0 HB2 HIS A 3 -0.749 5.889 -4.823 1.00 0.00 H new ATOM 0 HB3 HIS A 3 -2.256 6.043 -3.942 1.00 0.00 H new ATOM 0 HD2 HIS A 3 1.522 5.548 -3.372 1.00 0.00 H new ATOM 0 HE1 HIS A 3 -0.191 6.243 0.459 1.00 0.00 H new ATOM 0 HE2 HIS A 3 2.037 6.006 -0.813 1.00 0.00 H new ATOM 45 N TRP A 4 -3.966 3.878 -5.060 1.00 0.00 N ATOM 46 CA TRP A 4 -5.100 3.880 -5.974 1.00 0.00 C ATOM 47 C TRP A 4 -5.675 5.287 -5.947 1.00 0.00 C ATOM 48 O TRP A 4 -6.203 5.724 -4.921 1.00 0.00 O ATOM 49 CB TRP A 4 -6.124 2.814 -5.559 1.00 0.00 C ATOM 50 CG TRP A 4 -5.677 1.404 -5.822 1.00 0.00 C ATOM 51 CD1 TRP A 4 -4.888 0.658 -5.016 1.00 0.00 C ATOM 52 CD2 TRP A 4 -5.933 0.572 -6.996 1.00 0.00 C ATOM 53 NE1 TRP A 4 -4.632 -0.562 -5.608 1.00 0.00 N ATOM 54 CE2 TRP A 4 -5.233 -0.663 -6.845 1.00 0.00 C ATOM 55 CE3 TRP A 4 -6.683 0.739 -8.178 1.00 0.00 C ATOM 56 CZ2 TRP A 4 -5.253 -1.663 -7.832 1.00 0.00 C ATOM 57 CZ3 TRP A 4 -6.699 -0.247 -9.182 1.00 0.00 C ATOM 58 CH2 TRP A 4 -5.982 -1.444 -9.014 1.00 0.00 C ATOM 0 H TRP A 4 -4.247 3.843 -4.080 1.00 0.00 H new ATOM 0 HA TRP A 4 -4.804 3.625 -6.991 1.00 0.00 H new ATOM 0 HB2 TRP A 4 -6.338 2.924 -4.496 1.00 0.00 H new ATOM 0 HB3 TRP A 4 -7.057 2.994 -6.092 1.00 0.00 H new ATOM 0 HD1 TRP A 4 -4.514 0.971 -4.052 1.00 0.00 H new ATOM 0 HE1 TRP A 4 -4.068 -1.298 -5.183 1.00 0.00 H new ATOM 0 HE3 TRP A 4 -7.258 1.643 -8.316 1.00 0.00 H new ATOM 0 HZ2 TRP A 4 -4.715 -2.588 -7.684 1.00 0.00 H new ATOM 0 HZ3 TRP A 4 -7.265 -0.083 -10.087 1.00 0.00 H new ATOM 0 HH2 TRP A 4 -5.991 -2.194 -9.791 1.00 0.00 H new ATOM 69 N ILE A 5 -5.504 6.011 -7.049 1.00 0.00 N ATOM 70 CA ILE A 5 -5.825 7.420 -7.169 1.00 0.00 C ATOM 71 C ILE A 5 -6.700 7.525 -8.413 1.00 0.00 C ATOM 72 O ILE A 5 -6.219 7.373 -9.538 1.00 0.00 O ATOM 73 CB ILE A 5 -4.514 8.241 -7.240 1.00 0.00 C ATOM 74 CG1 ILE A 5 -3.840 8.327 -5.850 1.00 0.00 C ATOM 75 CG2 ILE A 5 -4.761 9.663 -7.772 1.00 0.00 C ATOM 76 CD1 ILE A 5 -2.326 8.524 -5.932 1.00 0.00 C ATOM 0 H ILE A 5 -5.125 5.615 -7.909 1.00 0.00 H new ATOM 0 HA ILE A 5 -6.366 7.828 -6.315 1.00 0.00 H new ATOM 0 HB ILE A 5 -3.853 7.720 -7.933 1.00 0.00 H new ATOM 0 HG12 ILE A 5 -4.279 9.153 -5.290 1.00 0.00 H new ATOM 0 HG13 ILE A 5 -4.053 7.415 -5.292 1.00 0.00 H new ATOM 0 HG21 ILE A 5 -3.817 10.207 -7.807 1.00 0.00 H new ATOM 0 HG22 ILE A 5 -5.185 9.608 -8.774 1.00 0.00 H new ATOM 0 HG23 ILE A 5 -5.455 10.183 -7.112 1.00 0.00 H new ATOM 0 HD11 ILE A 5 -1.911 8.577 -4.926 1.00 0.00 H new ATOM 0 HD12 ILE A 5 -1.878 7.686 -6.466 1.00 0.00 H new ATOM 0 HD13 ILE A 5 -2.108 9.450 -6.463 1.00 0.00 H new ATOM 88 N ASP A 6 -7.998 7.753 -8.219 1.00 0.00 N ATOM 89 CA ASP A 6 -8.860 8.095 -9.339 1.00 0.00 C ATOM 90 C ASP A 6 -8.489 9.513 -9.773 1.00 0.00 C ATOM 91 O ASP A 6 -8.289 10.377 -8.912 1.00 0.00 O ATOM 92 CB ASP A 6 -10.329 8.010 -8.926 1.00 0.00 C ATOM 93 CG ASP A 6 -11.211 7.911 -10.166 1.00 0.00 C ATOM 94 OD1 ASP A 6 -11.258 8.871 -10.963 1.00 0.00 O ATOM 95 OD2 ASP A 6 -11.908 6.885 -10.325 1.00 0.00 O ATOM 0 H ASP A 6 -8.465 7.707 -7.313 1.00 0.00 H new ATOM 0 HA ASP A 6 -8.723 7.399 -10.166 1.00 0.00 H new ATOM 0 HB2 ASP A 6 -10.486 7.141 -8.287 1.00 0.00 H new ATOM 0 HB3 ASP A 6 -10.603 8.889 -8.343 1.00 0.00 H new ATOM 100 N VAL A 7 -8.410 9.792 -11.071 1.00 0.00 N ATOM 101 CA VAL A 7 -7.994 11.098 -11.586 1.00 0.00 C ATOM 102 C VAL A 7 -9.120 11.787 -12.366 1.00 0.00 C ATOM 103 O VAL A 7 -8.880 12.828 -12.984 1.00 0.00 O ATOM 104 CB VAL A 7 -6.661 10.995 -12.364 1.00 0.00 C ATOM 105 CG1 VAL A 7 -5.514 10.504 -11.470 1.00 0.00 C ATOM 106 CG2 VAL A 7 -6.734 10.077 -13.589 1.00 0.00 C ATOM 0 H VAL A 7 -8.634 9.116 -11.801 1.00 0.00 H new ATOM 0 HA VAL A 7 -7.793 11.752 -10.738 1.00 0.00 H new ATOM 0 HB VAL A 7 -6.468 12.012 -12.705 1.00 0.00 H new ATOM 0 HG11 VAL A 7 -4.596 10.446 -12.055 1.00 0.00 H new ATOM 0 HG12 VAL A 7 -5.374 11.200 -10.643 1.00 0.00 H new ATOM 0 HG13 VAL A 7 -5.757 9.517 -11.076 1.00 0.00 H new ATOM 0 HG21 VAL A 7 -5.763 10.054 -14.085 1.00 0.00 H new ATOM 0 HG22 VAL A 7 -7.004 9.069 -13.273 1.00 0.00 H new ATOM 0 HG23 VAL A 7 -7.486 10.454 -14.282 1.00 0.00 H new ATOM 116 N ARG A 8 -10.349 11.248 -12.343 1.00 0.00 N ATOM 117 CA ARG A 8 -11.491 11.937 -12.941 1.00 0.00 C ATOM 118 C ARG A 8 -11.749 13.263 -12.236 1.00 0.00 C ATOM 119 O ARG A 8 -11.335 13.452 -11.086 1.00 0.00 O ATOM 120 CB ARG A 8 -12.732 11.030 -12.994 1.00 0.00 C ATOM 121 CG ARG A 8 -13.529 10.914 -11.685 1.00 0.00 C ATOM 122 CD ARG A 8 -14.592 9.815 -11.815 1.00 0.00 C ATOM 123 NE ARG A 8 -13.996 8.475 -11.780 1.00 0.00 N ATOM 124 CZ ARG A 8 -14.616 7.331 -12.084 1.00 0.00 C ATOM 125 NH1 ARG A 8 -15.873 7.330 -12.526 1.00 0.00 N ATOM 126 NH2 ARG A 8 -13.943 6.197 -11.946 1.00 0.00 N ATOM 0 H ARG A 8 -10.571 10.347 -11.920 1.00 0.00 H new ATOM 0 HA ARG A 8 -11.250 12.173 -13.977 1.00 0.00 H new ATOM 0 HB2 ARG A 8 -13.399 11.402 -13.772 1.00 0.00 H new ATOM 0 HB3 ARG A 8 -12.417 10.031 -13.296 1.00 0.00 H new ATOM 0 HG2 ARG A 8 -12.856 10.685 -10.859 1.00 0.00 H new ATOM 0 HG3 ARG A 8 -14.005 11.867 -11.454 1.00 0.00 H new ATOM 0 HD2 ARG A 8 -15.316 9.912 -11.006 1.00 0.00 H new ATOM 0 HD3 ARG A 8 -15.138 9.946 -12.749 1.00 0.00 H new ATOM 0 HE ARG A 8 -13.018 8.411 -11.498 1.00 0.00 H new ATOM 0 HH11 ARG A 8 -16.375 8.211 -12.636 1.00 0.00 H new ATOM 0 HH12 ARG A 8 -16.333 6.448 -12.754 1.00 0.00 H new ATOM 0 HH21 ARG A 8 -12.978 6.214 -11.615 1.00 0.00 H new ATOM 0 HH22 ARG A 8 -14.390 5.308 -12.170 1.00 0.00 H new ATOM 140 N VAL A 9 -12.449 14.160 -12.934 1.00 0.00 N ATOM 141 CA VAL A 9 -12.814 15.478 -12.424 1.00 0.00 C ATOM 142 C VAL A 9 -13.562 15.318 -11.082 1.00 0.00 C ATOM 143 O VAL A 9 -14.287 14.331 -10.911 1.00 0.00 O ATOM 144 CB VAL A 9 -13.583 16.281 -13.499 1.00 0.00 C ATOM 145 CG1 VAL A 9 -12.689 16.530 -14.725 1.00 0.00 C ATOM 146 CG2 VAL A 9 -14.887 15.618 -13.961 1.00 0.00 C ATOM 0 H VAL A 9 -12.782 13.986 -13.882 1.00 0.00 H new ATOM 0 HA VAL A 9 -11.925 16.071 -12.210 1.00 0.00 H new ATOM 0 HB VAL A 9 -13.855 17.221 -13.019 1.00 0.00 H new ATOM 0 HG11 VAL A 9 -13.245 17.096 -15.472 1.00 0.00 H new ATOM 0 HG12 VAL A 9 -11.807 17.095 -14.424 1.00 0.00 H new ATOM 0 HG13 VAL A 9 -12.380 15.575 -15.150 1.00 0.00 H new ATOM 0 HG21 VAL A 9 -15.366 16.243 -14.715 1.00 0.00 H new ATOM 0 HG22 VAL A 9 -14.666 14.640 -14.388 1.00 0.00 H new ATOM 0 HG23 VAL A 9 -15.557 15.499 -13.109 1.00 0.00 H new ATOM 156 N PRO A 10 -13.444 16.260 -10.127 1.00 0.00 N ATOM 157 CA PRO A 10 -13.937 16.046 -8.765 1.00 0.00 C ATOM 158 C PRO A 10 -15.455 15.858 -8.720 1.00 0.00 C ATOM 159 O PRO A 10 -15.973 15.092 -7.907 1.00 0.00 O ATOM 160 CB PRO A 10 -13.491 17.272 -7.960 1.00 0.00 C ATOM 161 CG PRO A 10 -13.246 18.354 -9.015 1.00 0.00 C ATOM 162 CD PRO A 10 -12.834 17.576 -10.261 1.00 0.00 C ATOM 0 HA PRO A 10 -13.530 15.126 -8.345 1.00 0.00 H new ATOM 0 HB2 PRO A 10 -14.256 17.579 -7.247 1.00 0.00 H new ATOM 0 HB3 PRO A 10 -12.587 17.064 -7.388 1.00 0.00 H new ATOM 0 HG2 PRO A 10 -14.143 18.946 -9.194 1.00 0.00 H new ATOM 0 HG3 PRO A 10 -12.465 19.046 -8.701 1.00 0.00 H new ATOM 0 HD2 PRO A 10 -13.178 18.076 -11.166 1.00 0.00 H new ATOM 0 HD3 PRO A 10 -11.749 17.499 -10.333 1.00 0.00 H new ATOM 170 N GLU A 11 -16.180 16.526 -9.616 1.00 0.00 N ATOM 171 CA GLU A 11 -17.628 16.416 -9.727 1.00 0.00 C ATOM 172 C GLU A 11 -18.054 15.039 -10.249 1.00 0.00 C ATOM 173 O GLU A 11 -19.170 14.614 -9.955 1.00 0.00 O ATOM 174 CB GLU A 11 -18.142 17.540 -10.639 1.00 0.00 C ATOM 175 CG GLU A 11 -17.986 18.945 -10.029 1.00 0.00 C ATOM 176 CD GLU A 11 -18.804 19.138 -8.739 1.00 0.00 C ATOM 177 OE1 GLU A 11 -20.033 19.364 -8.823 1.00 0.00 O ATOM 178 OE2 GLU A 11 -18.221 19.086 -7.632 1.00 0.00 O ATOM 0 H GLU A 11 -15.769 17.168 -10.294 1.00 0.00 H new ATOM 0 HA GLU A 11 -18.069 16.521 -8.736 1.00 0.00 H new ATOM 0 HB2 GLU A 11 -17.605 17.502 -11.587 1.00 0.00 H new ATOM 0 HB3 GLU A 11 -19.194 17.364 -10.862 1.00 0.00 H new ATOM 0 HG2 GLU A 11 -16.933 19.127 -9.815 1.00 0.00 H new ATOM 0 HG3 GLU A 11 -18.295 19.689 -10.763 1.00 0.00 H new ATOM 185 N GLN A 12 -17.186 14.317 -10.973 1.00 0.00 N ATOM 186 CA GLN A 12 -17.487 12.989 -11.493 1.00 0.00 C ATOM 187 C GLN A 12 -17.087 11.950 -10.443 1.00 0.00 C ATOM 188 O GLN A 12 -17.784 10.952 -10.280 1.00 0.00 O ATOM 189 CB GLN A 12 -16.782 12.777 -12.848 1.00 0.00 C ATOM 190 CG GLN A 12 -17.318 11.572 -13.639 1.00 0.00 C ATOM 191 CD GLN A 12 -18.731 11.804 -14.180 1.00 0.00 C ATOM 192 OE1 GLN A 12 -19.713 11.321 -13.625 1.00 0.00 O ATOM 193 NE2 GLN A 12 -18.873 12.552 -15.264 1.00 0.00 N ATOM 0 H GLN A 12 -16.251 14.647 -11.212 1.00 0.00 H new ATOM 0 HA GLN A 12 -18.555 12.880 -11.683 1.00 0.00 H new ATOM 0 HB2 GLN A 12 -16.896 13.677 -13.452 1.00 0.00 H new ATOM 0 HB3 GLN A 12 -15.714 12.642 -12.675 1.00 0.00 H new ATOM 0 HG2 GLN A 12 -16.645 11.359 -14.470 1.00 0.00 H new ATOM 0 HG3 GLN A 12 -17.319 10.692 -12.996 1.00 0.00 H new ATOM 0 HE21 GLN A 12 -18.052 12.950 -15.720 1.00 0.00 H new ATOM 0 HE22 GLN A 12 -19.803 12.730 -15.643 1.00 0.00 H new ATOM 202 N TYR A 13 -16.016 12.205 -9.680 1.00 0.00 N ATOM 203 CA TYR A 13 -15.612 11.366 -8.554 1.00 0.00 C ATOM 204 C TYR A 13 -16.745 11.246 -7.530 1.00 0.00 C ATOM 205 O TYR A 13 -17.015 10.153 -7.029 1.00 0.00 O ATOM 206 CB TYR A 13 -14.327 11.926 -7.926 1.00 0.00 C ATOM 207 CG TYR A 13 -14.137 11.608 -6.452 1.00 0.00 C ATOM 208 CD1 TYR A 13 -13.666 10.345 -6.043 1.00 0.00 C ATOM 209 CD2 TYR A 13 -14.423 12.593 -5.487 1.00 0.00 C ATOM 210 CE1 TYR A 13 -13.434 10.086 -4.681 1.00 0.00 C ATOM 211 CE2 TYR A 13 -14.227 12.328 -4.120 1.00 0.00 C ATOM 212 CZ TYR A 13 -13.722 11.073 -3.710 1.00 0.00 C ATOM 213 OH TYR A 13 -13.504 10.835 -2.386 1.00 0.00 O ATOM 0 H TYR A 13 -15.404 13.007 -9.831 1.00 0.00 H new ATOM 0 HA TYR A 13 -15.402 10.359 -8.913 1.00 0.00 H new ATOM 0 HB2 TYR A 13 -13.472 11.537 -8.479 1.00 0.00 H new ATOM 0 HB3 TYR A 13 -14.322 13.009 -8.052 1.00 0.00 H new ATOM 0 HD1 TYR A 13 -13.483 9.574 -6.777 1.00 0.00 H new ATOM 0 HD2 TYR A 13 -14.795 13.558 -5.799 1.00 0.00 H new ATOM 0 HE1 TYR A 13 -13.035 9.130 -4.375 1.00 0.00 H new ATOM 0 HE2 TYR A 13 -14.462 13.083 -3.384 1.00 0.00 H new ATOM 0 HH TYR A 13 -13.758 11.626 -1.865 1.00 0.00 H new ATOM 223 N GLN A 14 -17.442 12.355 -7.261 1.00 0.00 N ATOM 224 CA GLN A 14 -18.596 12.359 -6.367 1.00 0.00 C ATOM 225 C GLN A 14 -19.727 11.465 -6.896 1.00 0.00 C ATOM 226 O GLN A 14 -20.491 10.937 -6.086 1.00 0.00 O ATOM 227 CB GLN A 14 -19.085 13.800 -6.165 1.00 0.00 C ATOM 228 CG GLN A 14 -18.149 14.600 -5.245 1.00 0.00 C ATOM 229 CD GLN A 14 -18.397 16.101 -5.388 1.00 0.00 C ATOM 230 OE1 GLN A 14 -19.303 16.670 -4.782 1.00 0.00 O ATOM 231 NE2 GLN A 14 -17.609 16.758 -6.220 1.00 0.00 N ATOM 0 H GLN A 14 -17.221 13.269 -7.656 1.00 0.00 H new ATOM 0 HA GLN A 14 -18.288 11.947 -5.406 1.00 0.00 H new ATOM 0 HB2 GLN A 14 -19.156 14.298 -7.132 1.00 0.00 H new ATOM 0 HB3 GLN A 14 -20.088 13.786 -5.739 1.00 0.00 H new ATOM 0 HG2 GLN A 14 -18.305 14.298 -4.209 1.00 0.00 H new ATOM 0 HG3 GLN A 14 -17.111 14.374 -5.490 1.00 0.00 H new ATOM 0 HE21 GLN A 14 -16.863 16.266 -6.712 1.00 0.00 H new ATOM 0 HE22 GLN A 14 -17.746 17.758 -6.370 1.00 0.00 H new ATOM 240 N GLN A 15 -19.846 11.273 -8.218 1.00 0.00 N ATOM 241 CA GLN A 15 -20.868 10.392 -8.765 1.00 0.00 C ATOM 242 C GLN A 15 -20.487 8.939 -8.488 1.00 0.00 C ATOM 243 O GLN A 15 -21.317 8.219 -7.945 1.00 0.00 O ATOM 244 CB GLN A 15 -21.119 10.619 -10.267 1.00 0.00 C ATOM 245 CG GLN A 15 -21.354 12.083 -10.672 1.00 0.00 C ATOM 246 CD GLN A 15 -22.315 12.848 -9.759 1.00 0.00 C ATOM 247 OE1 GLN A 15 -23.452 12.441 -9.532 1.00 0.00 O ATOM 248 NE2 GLN A 15 -21.875 13.972 -9.216 1.00 0.00 N ATOM 0 H GLN A 15 -19.249 11.715 -8.917 1.00 0.00 H new ATOM 0 HA GLN A 15 -21.808 10.629 -8.266 1.00 0.00 H new ATOM 0 HB2 GLN A 15 -20.264 10.236 -10.825 1.00 0.00 H new ATOM 0 HB3 GLN A 15 -21.986 10.031 -10.568 1.00 0.00 H new ATOM 0 HG2 GLN A 15 -20.395 12.601 -10.685 1.00 0.00 H new ATOM 0 HG3 GLN A 15 -21.743 12.107 -11.690 1.00 0.00 H new ATOM 0 HE21 GLN A 15 -20.929 14.298 -9.414 1.00 0.00 H new ATOM 0 HE22 GLN A 15 -22.482 14.513 -8.600 1.00 0.00 H new ATOM 257 N GLU A 16 -19.258 8.509 -8.808 1.00 0.00 N ATOM 258 CA GLU A 16 -18.759 7.166 -8.506 1.00 0.00 C ATOM 259 C GLU A 16 -17.236 7.107 -8.710 1.00 0.00 C ATOM 260 O GLU A 16 -16.700 7.831 -9.553 1.00 0.00 O ATOM 261 CB GLU A 16 -19.478 6.135 -9.407 1.00 0.00 C ATOM 262 CG GLU A 16 -19.092 4.688 -9.076 1.00 0.00 C ATOM 263 CD GLU A 16 -20.174 3.685 -9.502 1.00 0.00 C ATOM 264 OE1 GLU A 16 -20.381 3.476 -10.718 1.00 0.00 O ATOM 265 OE2 GLU A 16 -20.829 3.106 -8.605 1.00 0.00 O ATOM 0 H GLU A 16 -18.576 9.095 -9.290 1.00 0.00 H new ATOM 0 HA GLU A 16 -18.968 6.926 -7.463 1.00 0.00 H new ATOM 0 HB2 GLU A 16 -20.556 6.253 -9.298 1.00 0.00 H new ATOM 0 HB3 GLU A 16 -19.239 6.341 -10.450 1.00 0.00 H new ATOM 0 HG2 GLU A 16 -18.154 4.441 -9.574 1.00 0.00 H new ATOM 0 HG3 GLU A 16 -18.917 4.597 -8.004 1.00 0.00 H new ATOM 272 N HIS A 17 -16.547 6.216 -7.983 1.00 0.00 N ATOM 273 CA HIS A 17 -15.146 5.847 -8.195 1.00 0.00 C ATOM 274 C HIS A 17 -14.901 4.423 -7.672 1.00 0.00 C ATOM 275 O HIS A 17 -15.747 3.862 -6.971 1.00 0.00 O ATOM 276 CB HIS A 17 -14.196 6.852 -7.522 1.00 0.00 C ATOM 277 CG HIS A 17 -14.075 6.724 -6.020 1.00 0.00 C ATOM 278 ND1 HIS A 17 -15.106 6.740 -5.105 1.00 0.00 N ATOM 279 CD2 HIS A 17 -12.909 6.571 -5.311 1.00 0.00 C ATOM 280 CE1 HIS A 17 -14.571 6.618 -3.879 1.00 0.00 C ATOM 281 NE2 HIS A 17 -13.231 6.512 -3.949 1.00 0.00 N ATOM 0 H HIS A 17 -16.970 5.715 -7.202 1.00 0.00 H new ATOM 0 HA HIS A 17 -14.938 5.872 -9.265 1.00 0.00 H new ATOM 0 HB2 HIS A 17 -13.205 6.739 -7.960 1.00 0.00 H new ATOM 0 HB3 HIS A 17 -14.535 7.861 -7.758 1.00 0.00 H new ATOM 0 HD2 HIS A 17 -11.916 6.507 -5.731 1.00 0.00 H new ATOM 0 HE1 HIS A 17 -15.139 6.607 -2.961 1.00 0.00 H new ATOM 0 HE2 HIS A 17 -12.582 6.410 -3.169 1.00 0.00 H new ATOM 289 N VAL A 18 -13.753 3.832 -8.012 1.00 0.00 N ATOM 290 CA VAL A 18 -13.349 2.500 -7.552 1.00 0.00 C ATOM 291 C VAL A 18 -13.123 2.536 -6.029 1.00 0.00 C ATOM 292 O VAL A 18 -12.571 3.508 -5.515 1.00 0.00 O ATOM 293 CB VAL A 18 -12.089 2.049 -8.329 1.00 0.00 C ATOM 294 CG1 VAL A 18 -11.701 0.602 -8.000 1.00 0.00 C ATOM 295 CG2 VAL A 18 -12.297 2.136 -9.855 1.00 0.00 C ATOM 0 H VAL A 18 -13.067 4.272 -8.625 1.00 0.00 H new ATOM 0 HA VAL A 18 -14.132 1.768 -7.750 1.00 0.00 H new ATOM 0 HB VAL A 18 -11.295 2.728 -8.018 1.00 0.00 H new ATOM 0 HG11 VAL A 18 -10.812 0.326 -8.567 1.00 0.00 H new ATOM 0 HG12 VAL A 18 -11.493 0.514 -6.934 1.00 0.00 H new ATOM 0 HG13 VAL A 18 -12.522 -0.064 -8.266 1.00 0.00 H new ATOM 0 HG21 VAL A 18 -11.390 1.811 -10.365 1.00 0.00 H new ATOM 0 HG22 VAL A 18 -13.127 1.493 -10.146 1.00 0.00 H new ATOM 0 HG23 VAL A 18 -12.521 3.166 -10.134 1.00 0.00 H new ATOM 305 N GLN A 19 -13.545 1.490 -5.306 1.00 0.00 N ATOM 306 CA GLN A 19 -13.348 1.387 -3.857 1.00 0.00 C ATOM 307 C GLN A 19 -11.860 1.281 -3.484 1.00 0.00 C ATOM 308 O GLN A 19 -11.022 0.889 -4.301 1.00 0.00 O ATOM 309 CB GLN A 19 -14.124 0.179 -3.291 1.00 0.00 C ATOM 310 CG GLN A 19 -15.595 0.528 -3.029 1.00 0.00 C ATOM 311 CD GLN A 19 -16.365 -0.597 -2.335 1.00 0.00 C ATOM 312 OE1 GLN A 19 -17.277 -1.191 -2.900 1.00 0.00 O ATOM 313 NE2 GLN A 19 -16.034 -0.911 -1.091 1.00 0.00 N ATOM 0 H GLN A 19 -14.033 0.691 -5.711 1.00 0.00 H new ATOM 0 HA GLN A 19 -13.736 2.304 -3.412 1.00 0.00 H new ATOM 0 HB2 GLN A 19 -14.066 -0.653 -3.993 1.00 0.00 H new ATOM 0 HB3 GLN A 19 -13.657 -0.153 -2.364 1.00 0.00 H new ATOM 0 HG2 GLN A 19 -15.645 1.427 -2.415 1.00 0.00 H new ATOM 0 HG3 GLN A 19 -16.081 0.762 -3.976 1.00 0.00 H new ATOM 0 HE21 GLN A 19 -15.275 -0.415 -0.624 1.00 0.00 H new ATOM 0 HE22 GLN A 19 -16.538 -1.649 -0.600 1.00 0.00 H new ATOM 322 N GLY A 20 -11.556 1.562 -2.210 1.00 0.00 N ATOM 323 CA GLY A 20 -10.231 1.370 -1.628 1.00 0.00 C ATOM 324 C GLY A 20 -9.212 2.354 -2.199 1.00 0.00 C ATOM 325 O GLY A 20 -8.073 1.966 -2.466 1.00 0.00 O ATOM 0 H GLY A 20 -12.238 1.935 -1.549 1.00 0.00 H new ATOM 0 HA2 GLY A 20 -10.288 1.493 -0.546 1.00 0.00 H new ATOM 0 HA3 GLY A 20 -9.896 0.350 -1.816 1.00 0.00 H new ATOM 329 N ALA A 21 -9.626 3.605 -2.430 1.00 0.00 N ATOM 330 CA ALA A 21 -8.863 4.597 -3.170 1.00 0.00 C ATOM 331 C ALA A 21 -9.042 6.004 -2.592 1.00 0.00 C ATOM 332 O ALA A 21 -9.805 6.221 -1.646 1.00 0.00 O ATOM 333 CB ALA A 21 -9.359 4.568 -4.618 1.00 0.00 C ATOM 0 H ALA A 21 -10.523 3.957 -2.096 1.00 0.00 H new ATOM 0 HA ALA A 21 -7.802 4.358 -3.105 1.00 0.00 H new ATOM 0 HB1 ALA A 21 -8.808 5.302 -5.206 1.00 0.00 H new ATOM 0 HB2 ALA A 21 -9.201 3.574 -5.037 1.00 0.00 H new ATOM 0 HB3 ALA A 21 -10.422 4.807 -4.643 1.00 0.00 H new ATOM 339 N ILE A 22 -8.358 6.960 -3.217 1.00 0.00 N ATOM 340 CA ILE A 22 -8.510 8.399 -3.040 1.00 0.00 C ATOM 341 C ILE A 22 -8.766 8.975 -4.446 1.00 0.00 C ATOM 342 O ILE A 22 -8.708 8.244 -5.441 1.00 0.00 O ATOM 343 CB ILE A 22 -7.260 8.955 -2.305 1.00 0.00 C ATOM 344 CG1 ILE A 22 -7.499 10.360 -1.706 1.00 0.00 C ATOM 345 CG2 ILE A 22 -6.008 8.939 -3.200 1.00 0.00 C ATOM 346 CD1 ILE A 22 -6.313 10.885 -0.887 1.00 0.00 C ATOM 0 H ILE A 22 -7.638 6.734 -3.903 1.00 0.00 H new ATOM 0 HA ILE A 22 -9.349 8.687 -2.407 1.00 0.00 H new ATOM 0 HB ILE A 22 -7.077 8.279 -1.470 1.00 0.00 H new ATOM 0 HG12 ILE A 22 -7.710 11.060 -2.514 1.00 0.00 H new ATOM 0 HG13 ILE A 22 -8.384 10.330 -1.071 1.00 0.00 H new ATOM 0 HG21 ILE A 22 -5.159 9.337 -2.645 1.00 0.00 H new ATOM 0 HG22 ILE A 22 -5.794 7.915 -3.507 1.00 0.00 H new ATOM 0 HG23 ILE A 22 -6.184 9.554 -4.083 1.00 0.00 H new ATOM 0 HD11 ILE A 22 -6.550 11.875 -0.497 1.00 0.00 H new ATOM 0 HD12 ILE A 22 -6.115 10.206 -0.058 1.00 0.00 H new ATOM 0 HD13 ILE A 22 -5.430 10.948 -1.524 1.00 0.00 H new ATOM 358 N ASN A 23 -9.025 10.277 -4.561 1.00 0.00 N ATOM 359 CA ASN A 23 -9.160 10.956 -5.843 1.00 0.00 C ATOM 360 C ASN A 23 -8.310 12.208 -5.820 1.00 0.00 C ATOM 361 O ASN A 23 -8.347 12.977 -4.855 1.00 0.00 O ATOM 362 CB ASN A 23 -10.627 11.277 -6.128 1.00 0.00 C ATOM 363 CG ASN A 23 -10.862 12.343 -7.200 1.00 0.00 C ATOM 364 OD1 ASN A 23 -11.417 13.395 -6.907 1.00 0.00 O ATOM 365 ND2 ASN A 23 -10.474 12.111 -8.446 1.00 0.00 N ATOM 0 H ASN A 23 -9.148 10.893 -3.758 1.00 0.00 H new ATOM 0 HA ASN A 23 -8.813 10.307 -6.648 1.00 0.00 H new ATOM 0 HB2 ASN A 23 -11.131 10.360 -6.433 1.00 0.00 H new ATOM 0 HB3 ASN A 23 -11.097 11.606 -5.201 1.00 0.00 H new ATOM 0 HD21 ASN A 23 -10.637 12.811 -9.170 1.00 0.00 H new ATOM 0 HD22 ASN A 23 -10.013 11.232 -8.681 1.00 0.00 H new ATOM 372 N ILE A 24 -7.547 12.394 -6.892 1.00 0.00 N ATOM 373 CA ILE A 24 -6.689 13.541 -7.110 1.00 0.00 C ATOM 374 C ILE A 24 -6.925 13.921 -8.581 1.00 0.00 C ATOM 375 O ILE A 24 -6.230 13.411 -9.460 1.00 0.00 O ATOM 376 CB ILE A 24 -5.209 13.247 -6.751 1.00 0.00 C ATOM 377 CG1 ILE A 24 -5.016 12.484 -5.418 1.00 0.00 C ATOM 378 CG2 ILE A 24 -4.501 14.604 -6.664 1.00 0.00 C ATOM 379 CD1 ILE A 24 -3.551 12.208 -5.059 1.00 0.00 C ATOM 0 H ILE A 24 -7.512 11.722 -7.658 1.00 0.00 H new ATOM 0 HA ILE A 24 -6.927 14.378 -6.454 1.00 0.00 H new ATOM 0 HB ILE A 24 -4.797 12.595 -7.521 1.00 0.00 H new ATOM 0 HG12 ILE A 24 -5.474 13.059 -4.613 1.00 0.00 H new ATOM 0 HG13 ILE A 24 -5.550 11.535 -5.475 1.00 0.00 H new ATOM 0 HG21 ILE A 24 -3.451 14.451 -6.413 1.00 0.00 H new ATOM 0 HG22 ILE A 24 -4.574 15.114 -7.624 1.00 0.00 H new ATOM 0 HG23 ILE A 24 -4.974 15.212 -5.893 1.00 0.00 H new ATOM 0 HD11 ILE A 24 -3.504 11.670 -4.112 1.00 0.00 H new ATOM 0 HD12 ILE A 24 -3.092 11.605 -5.842 1.00 0.00 H new ATOM 0 HD13 ILE A 24 -3.015 13.152 -4.967 1.00 0.00 H new ATOM 391 N PRO A 25 -7.980 14.704 -8.877 1.00 0.00 N ATOM 392 CA PRO A 25 -8.400 14.989 -10.241 1.00 0.00 C ATOM 393 C PRO A 25 -7.289 15.582 -11.094 1.00 0.00 C ATOM 394 O PRO A 25 -6.543 16.434 -10.615 1.00 0.00 O ATOM 395 CB PRO A 25 -9.523 16.016 -10.130 1.00 0.00 C ATOM 396 CG PRO A 25 -10.074 15.834 -8.724 1.00 0.00 C ATOM 397 CD PRO A 25 -8.867 15.355 -7.925 1.00 0.00 C ATOM 0 HA PRO A 25 -8.703 14.059 -10.723 1.00 0.00 H new ATOM 0 HB2 PRO A 25 -9.150 17.029 -10.281 1.00 0.00 H new ATOM 0 HB3 PRO A 25 -10.293 15.844 -10.882 1.00 0.00 H new ATOM 0 HG2 PRO A 25 -10.474 16.767 -8.326 1.00 0.00 H new ATOM 0 HG3 PRO A 25 -10.884 15.105 -8.702 1.00 0.00 H new ATOM 0 HD2 PRO A 25 -8.367 16.191 -7.437 1.00 0.00 H new ATOM 0 HD3 PRO A 25 -9.170 14.663 -7.140 1.00 0.00 H new ATOM 405 N LEU A 26 -7.285 15.269 -12.392 1.00 0.00 N ATOM 406 CA LEU A 26 -6.425 15.918 -13.387 1.00 0.00 C ATOM 407 C LEU A 26 -6.474 17.453 -13.292 1.00 0.00 C ATOM 408 O LEU A 26 -5.456 18.113 -13.492 1.00 0.00 O ATOM 409 CB LEU A 26 -6.848 15.424 -14.781 1.00 0.00 C ATOM 410 CG LEU A 26 -6.170 16.148 -15.960 1.00 0.00 C ATOM 411 CD1 LEU A 26 -4.663 15.873 -15.995 1.00 0.00 C ATOM 412 CD2 LEU A 26 -6.807 15.698 -17.277 1.00 0.00 C ATOM 0 H LEU A 26 -7.887 14.547 -12.788 1.00 0.00 H new ATOM 0 HA LEU A 26 -5.387 15.646 -13.194 1.00 0.00 H new ATOM 0 HB2 LEU A 26 -6.630 14.359 -14.854 1.00 0.00 H new ATOM 0 HB3 LEU A 26 -7.928 15.536 -14.878 1.00 0.00 H new ATOM 0 HG LEU A 26 -6.315 17.220 -15.826 1.00 0.00 H new ATOM 0 HD11 LEU A 26 -4.217 16.399 -16.839 1.00 0.00 H new ATOM 0 HD12 LEU A 26 -4.208 16.222 -15.068 1.00 0.00 H new ATOM 0 HD13 LEU A 26 -4.491 14.802 -16.103 1.00 0.00 H new ATOM 0 HD21 LEU A 26 -6.325 16.212 -18.109 1.00 0.00 H new ATOM 0 HD22 LEU A 26 -6.680 14.622 -17.393 1.00 0.00 H new ATOM 0 HD23 LEU A 26 -7.870 15.939 -17.268 1.00 0.00 H new ATOM 424 N LYS A 27 -7.638 18.019 -12.946 1.00 0.00 N ATOM 425 CA LYS A 27 -7.843 19.458 -12.767 1.00 0.00 C ATOM 426 C LYS A 27 -6.865 20.082 -11.759 1.00 0.00 C ATOM 427 O LYS A 27 -6.550 21.265 -11.884 1.00 0.00 O ATOM 428 CB LYS A 27 -9.312 19.688 -12.357 1.00 0.00 C ATOM 429 CG LYS A 27 -9.721 21.169 -12.370 1.00 0.00 C ATOM 430 CD LYS A 27 -11.217 21.338 -12.073 1.00 0.00 C ATOM 431 CE LYS A 27 -11.585 22.829 -12.097 1.00 0.00 C ATOM 432 NZ LYS A 27 -13.026 23.062 -11.824 1.00 0.00 N ATOM 0 H LYS A 27 -8.483 17.473 -12.779 1.00 0.00 H new ATOM 0 HA LYS A 27 -7.635 19.962 -13.711 1.00 0.00 H new ATOM 0 HB2 LYS A 27 -9.962 19.133 -13.033 1.00 0.00 H new ATOM 0 HB3 LYS A 27 -9.471 19.283 -11.358 1.00 0.00 H new ATOM 0 HG2 LYS A 27 -9.137 21.716 -11.630 1.00 0.00 H new ATOM 0 HG3 LYS A 27 -9.490 21.604 -13.343 1.00 0.00 H new ATOM 0 HD2 LYS A 27 -11.808 20.796 -12.812 1.00 0.00 H new ATOM 0 HD3 LYS A 27 -11.455 20.911 -11.099 1.00 0.00 H new ATOM 0 HE2 LYS A 27 -10.987 23.360 -11.356 1.00 0.00 H new ATOM 0 HE3 LYS A 27 -11.330 23.247 -13.071 1.00 0.00 H new ATOM 0 HZ1 LYS A 27 -13.224 24.083 -11.851 1.00 0.00 H new ATOM 0 HZ2 LYS A 27 -13.599 22.579 -12.545 1.00 0.00 H new ATOM 0 HZ3 LYS A 27 -13.266 22.688 -10.884 1.00 0.00 H new ATOM 446 N GLU A 28 -6.382 19.320 -10.774 1.00 0.00 N ATOM 447 CA GLU A 28 -5.620 19.836 -9.636 1.00 0.00 C ATOM 448 C GLU A 28 -4.442 18.928 -9.239 1.00 0.00 C ATOM 449 O GLU A 28 -3.743 19.229 -8.273 1.00 0.00 O ATOM 450 CB GLU A 28 -6.581 20.090 -8.454 1.00 0.00 C ATOM 451 CG GLU A 28 -7.497 18.902 -8.103 1.00 0.00 C ATOM 452 CD GLU A 28 -8.143 19.070 -6.719 1.00 0.00 C ATOM 453 OE1 GLU A 28 -9.040 19.929 -6.557 1.00 0.00 O ATOM 454 OE2 GLU A 28 -7.765 18.321 -5.790 1.00 0.00 O ATOM 0 H GLU A 28 -6.513 18.309 -10.746 1.00 0.00 H new ATOM 0 HA GLU A 28 -5.162 20.779 -9.934 1.00 0.00 H new ATOM 0 HB2 GLU A 28 -5.992 20.350 -7.574 1.00 0.00 H new ATOM 0 HB3 GLU A 28 -7.203 20.954 -8.688 1.00 0.00 H new ATOM 0 HG2 GLU A 28 -8.276 18.808 -8.859 1.00 0.00 H new ATOM 0 HG3 GLU A 28 -6.919 17.978 -8.125 1.00 0.00 H new ATOM 461 N VAL A 29 -4.191 17.833 -9.966 1.00 0.00 N ATOM 462 CA VAL A 29 -3.255 16.783 -9.562 1.00 0.00 C ATOM 463 C VAL A 29 -1.856 17.306 -9.242 1.00 0.00 C ATOM 464 O VAL A 29 -1.280 16.886 -8.238 1.00 0.00 O ATOM 465 CB VAL A 29 -3.293 15.616 -10.578 1.00 0.00 C ATOM 466 CG1 VAL A 29 -2.815 16.009 -11.981 1.00 0.00 C ATOM 467 CG2 VAL A 29 -2.508 14.385 -10.111 1.00 0.00 C ATOM 0 H VAL A 29 -4.640 17.651 -10.864 1.00 0.00 H new ATOM 0 HA VAL A 29 -3.588 16.379 -8.606 1.00 0.00 H new ATOM 0 HB VAL A 29 -4.350 15.358 -10.635 1.00 0.00 H new ATOM 0 HG11 VAL A 29 -2.869 15.142 -12.640 1.00 0.00 H new ATOM 0 HG12 VAL A 29 -3.451 16.803 -12.373 1.00 0.00 H new ATOM 0 HG13 VAL A 29 -1.785 16.362 -11.929 1.00 0.00 H new ATOM 0 HG21 VAL A 29 -2.574 13.603 -10.867 1.00 0.00 H new ATOM 0 HG22 VAL A 29 -1.463 14.656 -9.959 1.00 0.00 H new ATOM 0 HG23 VAL A 29 -2.928 14.020 -9.174 1.00 0.00 H new ATOM 477 N LYS A 30 -1.333 18.270 -10.009 1.00 0.00 N ATOM 478 CA LYS A 30 0.008 18.819 -9.787 1.00 0.00 C ATOM 479 C LYS A 30 0.160 19.422 -8.387 1.00 0.00 C ATOM 480 O LYS A 30 1.264 19.426 -7.846 1.00 0.00 O ATOM 481 CB LYS A 30 0.335 19.884 -10.847 1.00 0.00 C ATOM 482 CG LYS A 30 0.374 19.331 -12.282 1.00 0.00 C ATOM 483 CD LYS A 30 0.745 20.445 -13.271 1.00 0.00 C ATOM 484 CE LYS A 30 0.790 19.908 -14.708 1.00 0.00 C ATOM 485 NZ LYS A 30 1.121 20.972 -15.690 1.00 0.00 N ATOM 0 H LYS A 30 -1.826 18.689 -10.798 1.00 0.00 H new ATOM 0 HA LYS A 30 0.710 17.990 -9.872 1.00 0.00 H new ATOM 0 HB2 LYS A 30 -0.409 20.679 -10.793 1.00 0.00 H new ATOM 0 HB3 LYS A 30 1.300 20.333 -10.613 1.00 0.00 H new ATOM 0 HG2 LYS A 30 1.100 18.520 -12.347 1.00 0.00 H new ATOM 0 HG3 LYS A 30 -0.597 18.911 -12.544 1.00 0.00 H new ATOM 0 HD2 LYS A 30 0.018 21.254 -13.203 1.00 0.00 H new ATOM 0 HD3 LYS A 30 1.715 20.865 -13.005 1.00 0.00 H new ATOM 0 HE2 LYS A 30 1.530 19.111 -14.774 1.00 0.00 H new ATOM 0 HE3 LYS A 30 -0.175 19.469 -14.961 1.00 0.00 H new ATOM 0 HZ1 LYS A 30 1.141 20.567 -16.648 1.00 0.00 H new ATOM 0 HZ2 LYS A 30 0.401 21.721 -15.646 1.00 0.00 H new ATOM 0 HZ3 LYS A 30 2.053 21.374 -15.465 1.00 0.00 H new ATOM 499 N GLU A 31 -0.926 19.927 -7.795 1.00 0.00 N ATOM 500 CA GLU A 31 -0.909 20.586 -6.493 1.00 0.00 C ATOM 501 C GLU A 31 -0.848 19.566 -5.341 1.00 0.00 C ATOM 502 O GLU A 31 -0.510 19.936 -4.215 1.00 0.00 O ATOM 503 CB GLU A 31 -2.166 21.473 -6.393 1.00 0.00 C ATOM 504 CG GLU A 31 -2.122 22.554 -5.301 1.00 0.00 C ATOM 505 CD GLU A 31 -1.035 23.615 -5.560 1.00 0.00 C ATOM 506 OE1 GLU A 31 -1.286 24.578 -6.320 1.00 0.00 O ATOM 507 OE2 GLU A 31 0.074 23.513 -4.989 1.00 0.00 O ATOM 0 H GLU A 31 -1.854 19.887 -8.216 1.00 0.00 H new ATOM 0 HA GLU A 31 -0.012 21.199 -6.403 1.00 0.00 H new ATOM 0 HB2 GLU A 31 -2.325 21.959 -7.356 1.00 0.00 H new ATOM 0 HB3 GLU A 31 -3.029 20.832 -6.212 1.00 0.00 H new ATOM 0 HG2 GLU A 31 -3.094 23.043 -5.240 1.00 0.00 H new ATOM 0 HG3 GLU A 31 -1.941 22.082 -4.335 1.00 0.00 H new ATOM 514 N ARG A 32 -1.158 18.284 -5.593 1.00 0.00 N ATOM 515 CA ARG A 32 -1.359 17.284 -4.538 1.00 0.00 C ATOM 516 C ARG A 32 -0.486 16.052 -4.712 1.00 0.00 C ATOM 517 O ARG A 32 -0.021 15.522 -3.703 1.00 0.00 O ATOM 518 CB ARG A 32 -2.843 16.876 -4.495 1.00 0.00 C ATOM 519 CG ARG A 32 -3.726 17.917 -3.787 1.00 0.00 C ATOM 520 CD ARG A 32 -5.223 17.598 -3.919 1.00 0.00 C ATOM 521 NE ARG A 32 -5.610 16.364 -3.206 1.00 0.00 N ATOM 522 CZ ARG A 32 -6.669 15.595 -3.496 1.00 0.00 C ATOM 523 NH1 ARG A 32 -7.543 15.942 -4.433 1.00 0.00 N ATOM 524 NH2 ARG A 32 -6.855 14.446 -2.856 1.00 0.00 N ATOM 0 H ARG A 32 -1.276 17.914 -6.536 1.00 0.00 H new ATOM 0 HA ARG A 32 -1.064 17.745 -3.596 1.00 0.00 H new ATOM 0 HB2 ARG A 32 -3.205 16.731 -5.513 1.00 0.00 H new ATOM 0 HB3 ARG A 32 -2.937 15.918 -3.984 1.00 0.00 H new ATOM 0 HG2 ARG A 32 -3.458 17.960 -2.731 1.00 0.00 H new ATOM 0 HG3 ARG A 32 -3.529 18.903 -4.207 1.00 0.00 H new ATOM 0 HD2 ARG A 32 -5.804 18.434 -3.530 1.00 0.00 H new ATOM 0 HD3 ARG A 32 -5.477 17.497 -4.974 1.00 0.00 H new ATOM 0 HE ARG A 32 -5.021 16.072 -2.426 1.00 0.00 H new ATOM 0 HH11 ARG A 32 -7.417 16.811 -4.951 1.00 0.00 H new ATOM 0 HH12 ARG A 32 -8.341 15.339 -4.635 1.00 0.00 H new ATOM 0 HH21 ARG A 32 -6.191 14.147 -2.142 1.00 0.00 H new ATOM 0 HH22 ARG A 32 -7.662 13.863 -3.079 1.00 0.00 H new ATOM 538 N ILE A 33 -0.237 15.576 -5.935 1.00 0.00 N ATOM 539 CA ILE A 33 0.434 14.289 -6.131 1.00 0.00 C ATOM 540 C ILE A 33 1.838 14.291 -5.511 1.00 0.00 C ATOM 541 O ILE A 33 2.215 13.312 -4.870 1.00 0.00 O ATOM 542 CB ILE A 33 0.394 13.864 -7.618 1.00 0.00 C ATOM 543 CG1 ILE A 33 0.846 12.401 -7.825 1.00 0.00 C ATOM 544 CG2 ILE A 33 1.203 14.790 -8.552 1.00 0.00 C ATOM 545 CD1 ILE A 33 -0.008 11.363 -7.090 1.00 0.00 C ATOM 0 H ILE A 33 -0.488 16.058 -6.798 1.00 0.00 H new ATOM 0 HA ILE A 33 -0.115 13.517 -5.591 1.00 0.00 H new ATOM 0 HB ILE A 33 -0.656 13.954 -7.895 1.00 0.00 H new ATOM 0 HG12 ILE A 33 0.830 12.177 -8.892 1.00 0.00 H new ATOM 0 HG13 ILE A 33 1.880 12.303 -7.494 1.00 0.00 H new ATOM 0 HG21 ILE A 33 1.128 14.428 -9.577 1.00 0.00 H new ATOM 0 HG22 ILE A 33 0.805 15.803 -8.494 1.00 0.00 H new ATOM 0 HG23 ILE A 33 2.249 14.793 -8.245 1.00 0.00 H new ATOM 0 HD11 ILE A 33 0.380 10.364 -7.291 1.00 0.00 H new ATOM 0 HD12 ILE A 33 0.027 11.557 -6.018 1.00 0.00 H new ATOM 0 HD13 ILE A 33 -1.039 11.428 -7.437 1.00 0.00 H new ATOM 557 N ALA A 34 2.545 15.426 -5.583 1.00 0.00 N ATOM 558 CA ALA A 34 3.877 15.615 -5.011 1.00 0.00 C ATOM 559 C ALA A 34 3.928 15.480 -3.477 1.00 0.00 C ATOM 560 O ALA A 34 5.025 15.471 -2.916 1.00 0.00 O ATOM 561 CB ALA A 34 4.412 16.987 -5.442 1.00 0.00 C ATOM 0 H ALA A 34 2.193 16.259 -6.055 1.00 0.00 H new ATOM 0 HA ALA A 34 4.505 14.811 -5.395 1.00 0.00 H new ATOM 0 HB1 ALA A 34 5.406 17.139 -5.021 1.00 0.00 H new ATOM 0 HB2 ALA A 34 4.469 17.030 -6.530 1.00 0.00 H new ATOM 0 HB3 ALA A 34 3.742 17.768 -5.082 1.00 0.00 H new ATOM 567 N THR A 35 2.782 15.367 -2.801 1.00 0.00 N ATOM 568 CA THR A 35 2.678 15.271 -1.347 1.00 0.00 C ATOM 569 C THR A 35 1.868 14.023 -0.961 1.00 0.00 C ATOM 570 O THR A 35 2.174 13.384 0.046 1.00 0.00 O ATOM 571 CB THR A 35 2.054 16.576 -0.805 1.00 0.00 C ATOM 572 OG1 THR A 35 2.669 17.710 -1.400 1.00 0.00 O ATOM 573 CG2 THR A 35 2.200 16.700 0.716 1.00 0.00 C ATOM 0 H THR A 35 1.875 15.339 -3.267 1.00 0.00 H new ATOM 0 HA THR A 35 3.664 15.158 -0.896 1.00 0.00 H new ATOM 0 HB THR A 35 0.994 16.537 -1.058 1.00 0.00 H new ATOM 0 HG1 THR A 35 2.260 18.527 -1.046 1.00 0.00 H new ATOM 0 HG21 THR A 35 1.746 17.633 1.050 1.00 0.00 H new ATOM 0 HG22 THR A 35 1.700 15.860 1.199 1.00 0.00 H new ATOM 0 HG23 THR A 35 3.257 16.695 0.982 1.00 0.00 H new ATOM 581 N ALA A 36 0.882 13.624 -1.778 1.00 0.00 N ATOM 582 CA ALA A 36 0.146 12.378 -1.608 1.00 0.00 C ATOM 583 C ALA A 36 1.048 11.164 -1.873 1.00 0.00 C ATOM 584 O ALA A 36 0.943 10.161 -1.166 1.00 0.00 O ATOM 585 CB ALA A 36 -1.059 12.370 -2.556 1.00 0.00 C ATOM 0 H ALA A 36 0.575 14.170 -2.583 1.00 0.00 H new ATOM 0 HA ALA A 36 -0.202 12.311 -0.577 1.00 0.00 H new ATOM 0 HB1 ALA A 36 -1.613 11.439 -2.432 1.00 0.00 H new ATOM 0 HB2 ALA A 36 -1.710 13.213 -2.324 1.00 0.00 H new ATOM 0 HB3 ALA A 36 -0.712 12.452 -3.586 1.00 0.00 H new ATOM 591 N VAL A 37 1.943 11.260 -2.863 1.00 0.00 N ATOM 592 CA VAL A 37 2.878 10.213 -3.264 1.00 0.00 C ATOM 593 C VAL A 37 4.213 10.917 -3.562 1.00 0.00 C ATOM 594 O VAL A 37 4.534 11.168 -4.724 1.00 0.00 O ATOM 595 CB VAL A 37 2.329 9.396 -4.463 1.00 0.00 C ATOM 596 CG1 VAL A 37 3.205 8.159 -4.711 1.00 0.00 C ATOM 597 CG2 VAL A 37 0.884 8.910 -4.256 1.00 0.00 C ATOM 0 H VAL A 37 2.036 12.105 -3.427 1.00 0.00 H new ATOM 0 HA VAL A 37 3.022 9.474 -2.475 1.00 0.00 H new ATOM 0 HB VAL A 37 2.346 10.075 -5.315 1.00 0.00 H new ATOM 0 HG11 VAL A 37 2.808 7.595 -5.555 1.00 0.00 H new ATOM 0 HG12 VAL A 37 4.225 8.474 -4.932 1.00 0.00 H new ATOM 0 HG13 VAL A 37 3.205 7.529 -3.822 1.00 0.00 H new ATOM 0 HG21 VAL A 37 0.561 8.346 -5.131 1.00 0.00 H new ATOM 0 HG22 VAL A 37 0.838 8.271 -3.374 1.00 0.00 H new ATOM 0 HG23 VAL A 37 0.228 9.769 -4.116 1.00 0.00 H new ATOM 607 N PRO A 38 4.972 11.336 -2.534 1.00 0.00 N ATOM 608 CA PRO A 38 6.153 12.165 -2.741 1.00 0.00 C ATOM 609 C PRO A 38 7.279 11.395 -3.441 1.00 0.00 C ATOM 610 O PRO A 38 8.002 11.978 -4.253 1.00 0.00 O ATOM 611 CB PRO A 38 6.559 12.652 -1.345 1.00 0.00 C ATOM 612 CG PRO A 38 6.008 11.581 -0.404 1.00 0.00 C ATOM 613 CD PRO A 38 4.745 11.098 -1.116 1.00 0.00 C ATOM 0 HA PRO A 38 5.943 13.004 -3.405 1.00 0.00 H new ATOM 0 HB2 PRO A 38 7.641 12.745 -1.254 1.00 0.00 H new ATOM 0 HB3 PRO A 38 6.136 13.632 -1.126 1.00 0.00 H new ATOM 0 HG2 PRO A 38 6.721 10.770 -0.257 1.00 0.00 H new ATOM 0 HG3 PRO A 38 5.782 11.989 0.581 1.00 0.00 H new ATOM 0 HD2 PRO A 38 4.567 10.041 -0.921 1.00 0.00 H new ATOM 0 HD3 PRO A 38 3.867 11.640 -0.764 1.00 0.00 H new ATOM 621 N ASP A 39 7.433 10.099 -3.144 1.00 0.00 N ATOM 622 CA ASP A 39 8.464 9.258 -3.744 1.00 0.00 C ATOM 623 C ASP A 39 8.100 8.934 -5.192 1.00 0.00 C ATOM 624 O ASP A 39 7.133 8.215 -5.451 1.00 0.00 O ATOM 625 CB ASP A 39 8.658 7.958 -2.952 1.00 0.00 C ATOM 626 CG ASP A 39 9.632 7.013 -3.677 1.00 0.00 C ATOM 627 OD1 ASP A 39 10.532 7.506 -4.392 1.00 0.00 O ATOM 628 OD2 ASP A 39 9.495 5.778 -3.540 1.00 0.00 O ATOM 0 H ASP A 39 6.840 9.606 -2.476 1.00 0.00 H new ATOM 0 HA ASP A 39 9.402 9.812 -3.720 1.00 0.00 H new ATOM 0 HB2 ASP A 39 9.040 8.187 -1.957 1.00 0.00 H new ATOM 0 HB3 ASP A 39 7.697 7.462 -2.818 1.00 0.00 H new ATOM 633 N LYS A 40 8.893 9.438 -6.141 1.00 0.00 N ATOM 634 CA LYS A 40 8.666 9.229 -7.571 1.00 0.00 C ATOM 635 C LYS A 40 8.820 7.763 -7.986 1.00 0.00 C ATOM 636 O LYS A 40 8.303 7.377 -9.036 1.00 0.00 O ATOM 637 CB LYS A 40 9.603 10.132 -8.396 1.00 0.00 C ATOM 638 CG LYS A 40 9.591 11.624 -8.010 1.00 0.00 C ATOM 639 CD LYS A 40 8.180 12.236 -7.975 1.00 0.00 C ATOM 640 CE LYS A 40 8.166 13.718 -7.577 1.00 0.00 C ATOM 641 NZ LYS A 40 8.696 13.950 -6.208 1.00 0.00 N ATOM 0 H LYS A 40 9.715 10.006 -5.936 1.00 0.00 H new ATOM 0 HA LYS A 40 7.631 9.503 -7.776 1.00 0.00 H new ATOM 0 HB2 LYS A 40 10.622 9.757 -8.297 1.00 0.00 H new ATOM 0 HB3 LYS A 40 9.331 10.044 -9.448 1.00 0.00 H new ATOM 0 HG2 LYS A 40 10.054 11.742 -7.030 1.00 0.00 H new ATOM 0 HG3 LYS A 40 10.202 12.180 -8.721 1.00 0.00 H new ATOM 0 HD2 LYS A 40 7.721 12.127 -8.958 1.00 0.00 H new ATOM 0 HD3 LYS A 40 7.566 11.673 -7.272 1.00 0.00 H new ATOM 0 HE2 LYS A 40 8.759 14.288 -8.293 1.00 0.00 H new ATOM 0 HE3 LYS A 40 7.145 14.096 -7.636 1.00 0.00 H new ATOM 0 HZ1 LYS A 40 8.337 14.856 -5.846 1.00 0.00 H new ATOM 0 HZ2 LYS A 40 8.387 13.180 -5.581 1.00 0.00 H new ATOM 0 HZ3 LYS A 40 9.735 13.977 -6.238 1.00 0.00 H new ATOM 655 N ASN A 41 9.526 6.950 -7.189 1.00 0.00 N ATOM 656 CA ASN A 41 9.673 5.517 -7.431 1.00 0.00 C ATOM 657 C ASN A 41 8.392 4.743 -7.075 1.00 0.00 C ATOM 658 O ASN A 41 8.208 3.630 -7.566 1.00 0.00 O ATOM 659 CB ASN A 41 10.914 4.979 -6.684 1.00 0.00 C ATOM 660 CG ASN A 41 10.753 3.566 -6.126 1.00 0.00 C ATOM 661 OD1 ASN A 41 11.114 2.581 -6.765 1.00 0.00 O ATOM 662 ND2 ASN A 41 10.238 3.444 -4.913 1.00 0.00 N ATOM 0 H ASN A 41 10.013 7.275 -6.354 1.00 0.00 H new ATOM 0 HA ASN A 41 9.831 5.360 -8.498 1.00 0.00 H new ATOM 0 HB2 ASN A 41 11.766 4.993 -7.364 1.00 0.00 H new ATOM 0 HB3 ASN A 41 11.150 5.656 -5.863 1.00 0.00 H new ATOM 0 HD21 ASN A 41 10.135 2.520 -4.493 1.00 0.00 H new ATOM 0 HD22 ASN A 41 9.944 4.274 -4.398 1.00 0.00 H new ATOM 669 N ASP A 42 7.510 5.282 -6.228 1.00 0.00 N ATOM 670 CA ASP A 42 6.336 4.536 -5.770 1.00 0.00 C ATOM 671 C ASP A 42 5.284 4.444 -6.884 1.00 0.00 C ATOM 672 O ASP A 42 5.169 5.357 -7.706 1.00 0.00 O ATOM 673 CB ASP A 42 5.749 5.166 -4.506 1.00 0.00 C ATOM 674 CG ASP A 42 4.846 4.151 -3.799 1.00 0.00 C ATOM 675 OD1 ASP A 42 5.396 3.187 -3.221 1.00 0.00 O ATOM 676 OD2 ASP A 42 3.609 4.307 -3.827 1.00 0.00 O ATOM 0 H ASP A 42 7.586 6.226 -5.848 1.00 0.00 H new ATOM 0 HA ASP A 42 6.651 3.523 -5.521 1.00 0.00 H new ATOM 0 HB2 ASP A 42 6.551 5.482 -3.839 1.00 0.00 H new ATOM 0 HB3 ASP A 42 5.179 6.058 -4.763 1.00 0.00 H new ATOM 681 N THR A 43 4.539 3.338 -6.946 1.00 0.00 N ATOM 682 CA THR A 43 3.626 3.063 -8.055 1.00 0.00 C ATOM 683 C THR A 43 2.364 3.934 -7.932 1.00 0.00 C ATOM 684 O THR A 43 1.878 4.176 -6.824 1.00 0.00 O ATOM 685 CB THR A 43 3.276 1.560 -8.092 1.00 0.00 C ATOM 686 OG1 THR A 43 4.380 0.750 -7.727 1.00 0.00 O ATOM 687 CG2 THR A 43 2.786 1.091 -9.465 1.00 0.00 C ATOM 0 H THR A 43 4.552 2.611 -6.231 1.00 0.00 H new ATOM 0 HA THR A 43 4.115 3.317 -8.996 1.00 0.00 H new ATOM 0 HB THR A 43 2.469 1.447 -7.368 1.00 0.00 H new ATOM 0 HG1 THR A 43 4.431 0.687 -6.750 1.00 0.00 H new ATOM 0 HG21 THR A 43 2.557 0.026 -9.425 1.00 0.00 H new ATOM 0 HG22 THR A 43 1.889 1.646 -9.740 1.00 0.00 H new ATOM 0 HG23 THR A 43 3.563 1.267 -10.208 1.00 0.00 H new ATOM 695 N VAL A 44 1.779 4.352 -9.059 1.00 0.00 N ATOM 696 CA VAL A 44 0.606 5.224 -9.081 1.00 0.00 C ATOM 697 C VAL A 44 -0.416 4.589 -10.027 1.00 0.00 C ATOM 698 O VAL A 44 -0.297 4.708 -11.249 1.00 0.00 O ATOM 699 CB VAL A 44 0.989 6.676 -9.474 1.00 0.00 C ATOM 700 CG1 VAL A 44 -0.112 7.651 -9.035 1.00 0.00 C ATOM 701 CG2 VAL A 44 2.313 7.164 -8.859 1.00 0.00 C ATOM 0 H VAL A 44 2.111 4.091 -9.988 1.00 0.00 H new ATOM 0 HA VAL A 44 0.164 5.312 -8.089 1.00 0.00 H new ATOM 0 HB VAL A 44 1.109 6.657 -10.557 1.00 0.00 H new ATOM 0 HG11 VAL A 44 0.168 8.666 -9.316 1.00 0.00 H new ATOM 0 HG12 VAL A 44 -1.050 7.385 -9.523 1.00 0.00 H new ATOM 0 HG13 VAL A 44 -0.237 7.595 -7.954 1.00 0.00 H new ATOM 0 HG21 VAL A 44 2.509 8.186 -9.182 1.00 0.00 H new ATOM 0 HG22 VAL A 44 2.242 7.134 -7.772 1.00 0.00 H new ATOM 0 HG23 VAL A 44 3.127 6.518 -9.187 1.00 0.00 H new ATOM 711 N LYS A 45 -1.397 3.863 -9.478 1.00 0.00 N ATOM 712 CA LYS A 45 -2.518 3.357 -10.266 1.00 0.00 C ATOM 713 C LYS A 45 -3.408 4.561 -10.563 1.00 0.00 C ATOM 714 O LYS A 45 -3.869 5.205 -9.616 1.00 0.00 O ATOM 715 CB LYS A 45 -3.311 2.299 -9.474 1.00 0.00 C ATOM 716 CG LYS A 45 -2.528 1.033 -9.091 1.00 0.00 C ATOM 717 CD LYS A 45 -2.360 0.053 -10.259 1.00 0.00 C ATOM 718 CE LYS A 45 -1.684 -1.227 -9.746 1.00 0.00 C ATOM 719 NZ LYS A 45 -1.654 -2.299 -10.769 1.00 0.00 N ATOM 0 H LYS A 45 -1.434 3.615 -8.489 1.00 0.00 H new ATOM 0 HA LYS A 45 -2.166 2.879 -11.180 1.00 0.00 H new ATOM 0 HB2 LYS A 45 -3.689 2.761 -8.562 1.00 0.00 H new ATOM 0 HB3 LYS A 45 -4.178 2.004 -10.064 1.00 0.00 H new ATOM 0 HG2 LYS A 45 -1.544 1.320 -8.721 1.00 0.00 H new ATOM 0 HG3 LYS A 45 -3.042 0.529 -8.273 1.00 0.00 H new ATOM 0 HD2 LYS A 45 -3.331 -0.183 -10.695 1.00 0.00 H new ATOM 0 HD3 LYS A 45 -1.759 0.506 -11.047 1.00 0.00 H new ATOM 0 HE2 LYS A 45 -0.665 -0.997 -9.435 1.00 0.00 H new ATOM 0 HE3 LYS A 45 -2.213 -1.586 -8.863 1.00 0.00 H new ATOM 0 HZ1 LYS A 45 -1.086 -3.097 -10.419 1.00 0.00 H new ATOM 0 HZ2 LYS A 45 -2.624 -2.622 -10.962 1.00 0.00 H new ATOM 0 HZ3 LYS A 45 -1.231 -1.931 -11.645 1.00 0.00 H new ATOM 733 N VAL A 46 -3.671 4.844 -11.839 1.00 0.00 N ATOM 734 CA VAL A 46 -4.519 5.957 -12.261 1.00 0.00 C ATOM 735 C VAL A 46 -5.609 5.430 -13.189 1.00 0.00 C ATOM 736 O VAL A 46 -5.378 4.515 -13.982 1.00 0.00 O ATOM 737 CB VAL A 46 -3.688 7.101 -12.884 1.00 0.00 C ATOM 738 CG1 VAL A 46 -2.789 7.763 -11.830 1.00 0.00 C ATOM 739 CG2 VAL A 46 -2.805 6.663 -14.064 1.00 0.00 C ATOM 0 H VAL A 46 -3.297 4.300 -12.617 1.00 0.00 H new ATOM 0 HA VAL A 46 -5.005 6.398 -11.391 1.00 0.00 H new ATOM 0 HB VAL A 46 -4.426 7.806 -13.266 1.00 0.00 H new ATOM 0 HG11 VAL A 46 -2.214 8.565 -12.294 1.00 0.00 H new ATOM 0 HG12 VAL A 46 -3.407 8.174 -11.031 1.00 0.00 H new ATOM 0 HG13 VAL A 46 -2.107 7.021 -11.416 1.00 0.00 H new ATOM 0 HG21 VAL A 46 -2.254 7.523 -14.445 1.00 0.00 H new ATOM 0 HG22 VAL A 46 -2.101 5.901 -13.729 1.00 0.00 H new ATOM 0 HG23 VAL A 46 -3.433 6.254 -14.856 1.00 0.00 H new ATOM 749 N TYR A 47 -6.819 5.954 -13.052 1.00 0.00 N ATOM 750 CA TYR A 47 -8.009 5.536 -13.783 1.00 0.00 C ATOM 751 C TYR A 47 -9.041 6.646 -13.608 1.00 0.00 C ATOM 752 O TYR A 47 -8.943 7.444 -12.670 1.00 0.00 O ATOM 753 CB TYR A 47 -8.525 4.191 -13.256 1.00 0.00 C ATOM 754 CG TYR A 47 -8.571 4.111 -11.744 1.00 0.00 C ATOM 755 CD1 TYR A 47 -9.729 4.515 -11.058 1.00 0.00 C ATOM 756 CD2 TYR A 47 -7.411 3.755 -11.028 1.00 0.00 C ATOM 757 CE1 TYR A 47 -9.718 4.597 -9.658 1.00 0.00 C ATOM 758 CE2 TYR A 47 -7.378 3.884 -9.634 1.00 0.00 C ATOM 759 CZ TYR A 47 -8.534 4.308 -8.947 1.00 0.00 C ATOM 760 OH TYR A 47 -8.493 4.443 -7.601 1.00 0.00 O ATOM 0 H TYR A 47 -7.007 6.715 -12.400 1.00 0.00 H new ATOM 0 HA TYR A 47 -7.792 5.385 -14.840 1.00 0.00 H new ATOM 0 HB2 TYR A 47 -9.525 4.015 -13.652 1.00 0.00 H new ATOM 0 HB3 TYR A 47 -7.887 3.393 -13.635 1.00 0.00 H new ATOM 0 HD1 TYR A 47 -10.625 4.762 -11.608 1.00 0.00 H new ATOM 0 HD2 TYR A 47 -6.545 3.382 -11.555 1.00 0.00 H new ATOM 0 HE1 TYR A 47 -10.614 4.881 -9.125 1.00 0.00 H new ATOM 0 HE2 TYR A 47 -6.473 3.660 -9.089 1.00 0.00 H new ATOM 0 HH TYR A 47 -9.264 4.968 -7.301 1.00 0.00 H new ATOM 770 N CYS A 48 -10.011 6.728 -14.519 1.00 0.00 N ATOM 771 CA CYS A 48 -10.995 7.800 -14.555 1.00 0.00 C ATOM 772 C CYS A 48 -12.143 7.418 -15.493 1.00 0.00 C ATOM 773 O CYS A 48 -12.205 6.289 -15.988 1.00 0.00 O ATOM 774 CB CYS A 48 -10.298 9.086 -15.036 1.00 0.00 C ATOM 775 SG CYS A 48 -9.627 8.868 -16.710 1.00 0.00 S ATOM 0 H CYS A 48 -10.133 6.040 -15.262 1.00 0.00 H new ATOM 0 HA CYS A 48 -11.413 7.966 -13.562 1.00 0.00 H new ATOM 0 HB2 CYS A 48 -11.007 9.914 -15.028 1.00 0.00 H new ATOM 0 HB3 CYS A 48 -9.494 9.348 -14.348 1.00 0.00 H new ATOM 0 HG CYS A 48 -10.593 8.939 -17.577 1.00 0.00 H new ATOM 781 N ASN A 49 -13.032 8.371 -15.785 1.00 0.00 N ATOM 782 CA ASN A 49 -14.011 8.209 -16.853 1.00 0.00 C ATOM 783 C ASN A 49 -13.273 8.206 -18.196 1.00 0.00 C ATOM 784 O ASN A 49 -12.435 9.080 -18.436 1.00 0.00 O ATOM 785 CB ASN A 49 -15.041 9.348 -16.817 1.00 0.00 C ATOM 786 CG ASN A 49 -15.982 9.258 -18.016 1.00 0.00 C ATOM 787 OD1 ASN A 49 -15.933 10.080 -18.925 1.00 0.00 O ATOM 788 ND2 ASN A 49 -16.831 8.243 -18.061 1.00 0.00 N ATOM 0 H ASN A 49 -13.091 9.263 -15.293 1.00 0.00 H new ATOM 0 HA ASN A 49 -14.545 7.268 -16.720 1.00 0.00 H new ATOM 0 HB2 ASN A 49 -15.616 9.297 -15.892 1.00 0.00 H new ATOM 0 HB3 ASN A 49 -14.528 10.310 -16.821 1.00 0.00 H new ATOM 0 HD21 ASN A 49 -17.456 8.136 -18.860 1.00 0.00 H new ATOM 0 HD22 ASN A 49 -16.860 7.568 -17.297 1.00 0.00 H new ATOM 795 N ALA A 50 -13.594 7.236 -19.058 1.00 0.00 N ATOM 796 CA ALA A 50 -13.056 7.049 -20.409 1.00 0.00 C ATOM 797 C ALA A 50 -11.519 7.027 -20.514 1.00 0.00 C ATOM 798 O ALA A 50 -10.986 7.202 -21.612 1.00 0.00 O ATOM 799 CB ALA A 50 -13.702 8.072 -21.358 1.00 0.00 C ATOM 0 H ALA A 50 -14.277 6.518 -18.817 1.00 0.00 H new ATOM 0 HA ALA A 50 -13.329 6.039 -20.715 1.00 0.00 H new ATOM 0 HB1 ALA A 50 -13.305 7.937 -22.364 1.00 0.00 H new ATOM 0 HB2 ALA A 50 -14.782 7.925 -21.371 1.00 0.00 H new ATOM 0 HB3 ALA A 50 -13.478 9.081 -21.012 1.00 0.00 H new ATOM 805 N GLY A 51 -10.785 6.845 -19.411 1.00 0.00 N ATOM 806 CA GLY A 51 -9.324 6.747 -19.388 1.00 0.00 C ATOM 807 C GLY A 51 -8.571 8.035 -19.760 1.00 0.00 C ATOM 808 O GLY A 51 -7.374 8.127 -19.488 1.00 0.00 O ATOM 0 H GLY A 51 -11.204 6.760 -18.485 1.00 0.00 H new ATOM 0 HA2 GLY A 51 -9.013 6.440 -18.389 1.00 0.00 H new ATOM 0 HA3 GLY A 51 -9.019 5.957 -20.074 1.00 0.00 H new ATOM 812 N ARG A 52 -9.218 9.053 -20.345 1.00 0.00 N ATOM 813 CA ARG A 52 -8.520 10.210 -20.921 1.00 0.00 C ATOM 814 C ARG A 52 -7.767 11.021 -19.880 1.00 0.00 C ATOM 815 O ARG A 52 -6.635 11.424 -20.138 1.00 0.00 O ATOM 816 CB ARG A 52 -9.479 11.105 -21.731 1.00 0.00 C ATOM 817 CG ARG A 52 -10.267 10.406 -22.856 1.00 0.00 C ATOM 818 CD ARG A 52 -9.385 9.557 -23.783 1.00 0.00 C ATOM 819 NE ARG A 52 -10.057 9.252 -25.059 1.00 0.00 N ATOM 820 CZ ARG A 52 -10.832 8.195 -25.339 1.00 0.00 C ATOM 821 NH1 ARG A 52 -11.147 7.299 -24.408 1.00 0.00 N ATOM 822 NH2 ARG A 52 -11.298 8.040 -26.575 1.00 0.00 N ATOM 0 H ARG A 52 -10.233 9.097 -20.432 1.00 0.00 H new ATOM 0 HA ARG A 52 -7.774 9.805 -21.605 1.00 0.00 H new ATOM 0 HB2 ARG A 52 -10.192 11.557 -21.041 1.00 0.00 H new ATOM 0 HB3 ARG A 52 -8.901 11.918 -22.170 1.00 0.00 H new ATOM 0 HG2 ARG A 52 -11.032 9.769 -22.412 1.00 0.00 H new ATOM 0 HG3 ARG A 52 -10.784 11.160 -23.449 1.00 0.00 H new ATOM 0 HD2 ARG A 52 -8.453 10.087 -23.982 1.00 0.00 H new ATOM 0 HD3 ARG A 52 -9.122 8.626 -23.280 1.00 0.00 H new ATOM 0 HE ARG A 52 -9.916 9.922 -25.815 1.00 0.00 H new ATOM 0 HH11 ARG A 52 -10.797 7.408 -23.456 1.00 0.00 H new ATOM 0 HH12 ARG A 52 -11.739 6.503 -24.646 1.00 0.00 H new ATOM 0 HH21 ARG A 52 -11.065 8.721 -27.297 1.00 0.00 H new ATOM 0 HH22 ARG A 52 -11.889 7.240 -26.801 1.00 0.00 H new ATOM 836 N GLN A 53 -8.342 11.220 -18.694 1.00 0.00 N ATOM 837 CA GLN A 53 -7.663 11.939 -17.625 1.00 0.00 C ATOM 838 C GLN A 53 -6.434 11.156 -17.143 1.00 0.00 C ATOM 839 O GLN A 53 -5.472 11.772 -16.697 1.00 0.00 O ATOM 840 CB GLN A 53 -8.598 12.301 -16.448 1.00 0.00 C ATOM 841 CG GLN A 53 -9.834 13.148 -16.807 1.00 0.00 C ATOM 842 CD GLN A 53 -11.054 12.278 -17.142 1.00 0.00 C ATOM 843 OE1 GLN A 53 -11.784 11.848 -16.257 1.00 0.00 O ATOM 844 NE2 GLN A 53 -11.294 11.959 -18.404 1.00 0.00 N ATOM 0 H GLN A 53 -9.277 10.892 -18.453 1.00 0.00 H new ATOM 0 HA GLN A 53 -7.330 12.888 -18.046 1.00 0.00 H new ATOM 0 HB2 GLN A 53 -8.938 11.376 -15.982 1.00 0.00 H new ATOM 0 HB3 GLN A 53 -8.017 12.840 -15.700 1.00 0.00 H new ATOM 0 HG2 GLN A 53 -10.077 13.806 -15.972 1.00 0.00 H new ATOM 0 HG3 GLN A 53 -9.600 13.787 -17.659 1.00 0.00 H new ATOM 0 HE21 GLN A 53 -10.689 12.315 -19.144 1.00 0.00 H new ATOM 0 HE22 GLN A 53 -12.084 11.357 -18.637 1.00 0.00 H new ATOM 853 N SER A 54 -6.427 9.826 -17.268 1.00 0.00 N ATOM 854 CA SER A 54 -5.297 8.984 -16.882 1.00 0.00 C ATOM 855 C SER A 54 -4.209 9.005 -17.950 1.00 0.00 C ATOM 856 O SER A 54 -3.037 9.172 -17.616 1.00 0.00 O ATOM 857 CB SER A 54 -5.776 7.555 -16.641 1.00 0.00 C ATOM 858 OG SER A 54 -6.798 7.562 -15.668 1.00 0.00 O ATOM 0 H SER A 54 -7.216 9.300 -17.645 1.00 0.00 H new ATOM 0 HA SER A 54 -4.870 9.380 -15.960 1.00 0.00 H new ATOM 0 HB2 SER A 54 -6.146 7.122 -17.570 1.00 0.00 H new ATOM 0 HB3 SER A 54 -4.946 6.932 -16.308 1.00 0.00 H new ATOM 0 HG SER A 54 -7.612 7.951 -16.051 1.00 0.00 H new ATOM 864 N GLY A 55 -4.583 8.909 -19.230 1.00 0.00 N ATOM 865 CA GLY A 55 -3.649 9.081 -20.336 1.00 0.00 C ATOM 866 C GLY A 55 -2.979 10.450 -20.246 1.00 0.00 C ATOM 867 O GLY A 55 -1.759 10.555 -20.374 1.00 0.00 O ATOM 0 H GLY A 55 -5.540 8.710 -19.523 1.00 0.00 H new ATOM 0 HA2 GLY A 55 -2.894 8.295 -20.311 1.00 0.00 H new ATOM 0 HA3 GLY A 55 -4.176 8.987 -21.286 1.00 0.00 H new ATOM 871 N GLN A 56 -3.761 11.491 -19.944 1.00 0.00 N ATOM 872 CA GLN A 56 -3.252 12.830 -19.746 1.00 0.00 C ATOM 873 C GLN A 56 -2.350 12.906 -18.505 1.00 0.00 C ATOM 874 O GLN A 56 -1.298 13.548 -18.562 1.00 0.00 O ATOM 875 CB GLN A 56 -4.445 13.796 -19.654 1.00 0.00 C ATOM 876 CG GLN A 56 -3.997 15.265 -19.597 1.00 0.00 C ATOM 877 CD GLN A 56 -3.125 15.701 -20.778 1.00 0.00 C ATOM 878 OE1 GLN A 56 -3.619 16.173 -21.798 1.00 0.00 O ATOM 879 NE2 GLN A 56 -1.811 15.557 -20.667 1.00 0.00 N ATOM 0 H GLN A 56 -4.772 11.416 -19.832 1.00 0.00 H new ATOM 0 HA GLN A 56 -2.627 13.117 -20.591 1.00 0.00 H new ATOM 0 HB2 GLN A 56 -5.097 13.649 -20.515 1.00 0.00 H new ATOM 0 HB3 GLN A 56 -5.033 13.562 -18.766 1.00 0.00 H new ATOM 0 HG2 GLN A 56 -4.881 15.902 -19.558 1.00 0.00 H new ATOM 0 HG3 GLN A 56 -3.445 15.429 -18.672 1.00 0.00 H new ATOM 0 HE21 GLN A 56 -1.411 15.164 -19.815 1.00 0.00 H new ATOM 0 HE22 GLN A 56 -1.200 15.840 -21.434 1.00 0.00 H new ATOM 888 N ALA A 57 -2.744 12.265 -17.399 1.00 0.00 N ATOM 889 CA ALA A 57 -1.977 12.269 -16.161 1.00 0.00 C ATOM 890 C ALA A 57 -0.606 11.621 -16.359 1.00 0.00 C ATOM 891 O ALA A 57 0.378 12.135 -15.836 1.00 0.00 O ATOM 892 CB ALA A 57 -2.750 11.587 -15.027 1.00 0.00 C ATOM 0 H ALA A 57 -3.609 11.728 -17.343 1.00 0.00 H new ATOM 0 HA ALA A 57 -1.816 13.309 -15.875 1.00 0.00 H new ATOM 0 HB1 ALA A 57 -2.152 11.606 -14.116 1.00 0.00 H new ATOM 0 HB2 ALA A 57 -3.688 12.116 -14.856 1.00 0.00 H new ATOM 0 HB3 ALA A 57 -2.961 10.553 -15.301 1.00 0.00 H new ATOM 898 N LYS A 58 -0.499 10.537 -17.136 1.00 0.00 N ATOM 899 CA LYS A 58 0.790 9.891 -17.394 1.00 0.00 C ATOM 900 C LYS A 58 1.807 10.883 -17.957 1.00 0.00 C ATOM 901 O LYS A 58 2.971 10.829 -17.561 1.00 0.00 O ATOM 902 CB LYS A 58 0.624 8.692 -18.344 1.00 0.00 C ATOM 903 CG LYS A 58 0.010 7.467 -17.645 1.00 0.00 C ATOM 904 CD LYS A 58 -0.361 6.342 -18.625 1.00 0.00 C ATOM 905 CE LYS A 58 0.866 5.792 -19.372 1.00 0.00 C ATOM 906 NZ LYS A 58 0.513 4.711 -20.328 1.00 0.00 N ATOM 0 H LYS A 58 -1.291 10.089 -17.597 1.00 0.00 H new ATOM 0 HA LYS A 58 1.170 9.525 -16.440 1.00 0.00 H new ATOM 0 HB2 LYS A 58 -0.008 8.982 -19.183 1.00 0.00 H new ATOM 0 HB3 LYS A 58 1.596 8.422 -18.756 1.00 0.00 H new ATOM 0 HG2 LYS A 58 0.717 7.083 -16.909 1.00 0.00 H new ATOM 0 HG3 LYS A 58 -0.882 7.775 -17.099 1.00 0.00 H new ATOM 0 HD2 LYS A 58 -0.845 5.532 -18.079 1.00 0.00 H new ATOM 0 HD3 LYS A 58 -1.086 6.717 -19.348 1.00 0.00 H new ATOM 0 HE2 LYS A 58 1.353 6.604 -19.911 1.00 0.00 H new ATOM 0 HE3 LYS A 58 1.587 5.412 -18.649 1.00 0.00 H new ATOM 0 HZ1 LYS A 58 1.374 4.375 -20.805 1.00 0.00 H new ATOM 0 HZ2 LYS A 58 0.072 3.922 -19.813 1.00 0.00 H new ATOM 0 HZ3 LYS A 58 -0.154 5.078 -21.036 1.00 0.00 H new ATOM 920 N GLU A 59 1.394 11.798 -18.837 1.00 0.00 N ATOM 921 CA GLU A 59 2.314 12.746 -19.458 1.00 0.00 C ATOM 922 C GLU A 59 2.866 13.713 -18.407 1.00 0.00 C ATOM 923 O GLU A 59 4.083 13.833 -18.254 1.00 0.00 O ATOM 924 CB GLU A 59 1.613 13.517 -20.592 1.00 0.00 C ATOM 925 CG GLU A 59 1.149 12.631 -21.758 1.00 0.00 C ATOM 926 CD GLU A 59 2.323 11.959 -22.495 1.00 0.00 C ATOM 927 OE1 GLU A 59 2.970 12.616 -23.342 1.00 0.00 O ATOM 928 OE2 GLU A 59 2.600 10.764 -22.252 1.00 0.00 O ATOM 0 H GLU A 59 0.424 11.900 -19.135 1.00 0.00 H new ATOM 0 HA GLU A 59 3.147 12.191 -19.890 1.00 0.00 H new ATOM 0 HB2 GLU A 59 0.750 14.041 -20.181 1.00 0.00 H new ATOM 0 HB3 GLU A 59 2.294 14.277 -20.975 1.00 0.00 H new ATOM 0 HG2 GLU A 59 0.475 11.863 -21.380 1.00 0.00 H new ATOM 0 HG3 GLU A 59 0.580 13.235 -22.464 1.00 0.00 H new ATOM 935 N ILE A 60 1.991 14.383 -17.649 1.00 0.00 N ATOM 936 CA ILE A 60 2.415 15.377 -16.670 1.00 0.00 C ATOM 937 C ILE A 60 3.161 14.717 -15.507 1.00 0.00 C ATOM 938 O ILE A 60 4.110 15.298 -14.989 1.00 0.00 O ATOM 939 CB ILE A 60 1.213 16.228 -16.206 1.00 0.00 C ATOM 940 CG1 ILE A 60 0.149 15.381 -15.478 1.00 0.00 C ATOM 941 CG2 ILE A 60 0.625 16.987 -17.414 1.00 0.00 C ATOM 942 CD1 ILE A 60 -1.123 16.122 -15.072 1.00 0.00 C ATOM 0 H ILE A 60 0.981 14.250 -17.699 1.00 0.00 H new ATOM 0 HA ILE A 60 3.122 16.059 -17.142 1.00 0.00 H new ATOM 0 HB ILE A 60 1.563 16.956 -15.474 1.00 0.00 H new ATOM 0 HG12 ILE A 60 -0.128 14.547 -16.123 1.00 0.00 H new ATOM 0 HG13 ILE A 60 0.601 14.955 -14.582 1.00 0.00 H new ATOM 0 HG21 ILE A 60 -0.224 17.588 -17.088 1.00 0.00 H new ATOM 0 HG22 ILE A 60 1.388 17.638 -17.841 1.00 0.00 H new ATOM 0 HG23 ILE A 60 0.295 16.272 -18.167 1.00 0.00 H new ATOM 0 HD11 ILE A 60 -1.801 15.433 -14.569 1.00 0.00 H new ATOM 0 HD12 ILE A 60 -0.868 16.939 -14.396 1.00 0.00 H new ATOM 0 HD13 ILE A 60 -1.609 16.524 -15.961 1.00 0.00 H new ATOM 954 N LEU A 61 2.793 13.495 -15.115 1.00 0.00 N ATOM 955 CA LEU A 61 3.482 12.780 -14.050 1.00 0.00 C ATOM 956 C LEU A 61 4.874 12.356 -14.515 1.00 0.00 C ATOM 957 O LEU A 61 5.815 12.426 -13.726 1.00 0.00 O ATOM 958 CB LEU A 61 2.655 11.573 -13.587 1.00 0.00 C ATOM 959 CG LEU A 61 1.357 11.943 -12.841 1.00 0.00 C ATOM 960 CD1 LEU A 61 0.508 10.689 -12.601 1.00 0.00 C ATOM 961 CD2 LEU A 61 1.627 12.623 -11.499 1.00 0.00 C ATOM 0 H LEU A 61 2.014 12.980 -15.526 1.00 0.00 H new ATOM 0 HA LEU A 61 3.599 13.447 -13.196 1.00 0.00 H new ATOM 0 HB2 LEU A 61 2.401 10.966 -14.456 1.00 0.00 H new ATOM 0 HB3 LEU A 61 3.271 10.953 -12.935 1.00 0.00 H new ATOM 0 HG LEU A 61 0.822 12.649 -13.476 1.00 0.00 H new ATOM 0 HD11 LEU A 61 -0.406 10.964 -12.074 1.00 0.00 H new ATOM 0 HD12 LEU A 61 0.252 10.234 -13.558 1.00 0.00 H new ATOM 0 HD13 LEU A 61 1.073 9.976 -12.001 1.00 0.00 H new ATOM 0 HD21 LEU A 61 0.680 12.862 -11.015 1.00 0.00 H new ATOM 0 HD22 LEU A 61 2.201 11.952 -10.860 1.00 0.00 H new ATOM 0 HD23 LEU A 61 2.193 13.540 -11.663 1.00 0.00 H new ATOM 973 N SER A 62 5.042 11.984 -15.788 1.00 0.00 N ATOM 974 CA SER A 62 6.366 11.727 -16.342 1.00 0.00 C ATOM 975 C SER A 62 7.215 13.004 -16.300 1.00 0.00 C ATOM 976 O SER A 62 8.391 12.938 -15.944 1.00 0.00 O ATOM 977 CB SER A 62 6.261 11.175 -17.769 1.00 0.00 C ATOM 978 OG SER A 62 5.486 9.989 -17.802 1.00 0.00 O ATOM 0 H SER A 62 4.276 11.856 -16.449 1.00 0.00 H new ATOM 0 HA SER A 62 6.859 10.970 -15.732 1.00 0.00 H new ATOM 0 HB2 SER A 62 5.812 11.925 -18.420 1.00 0.00 H new ATOM 0 HB3 SER A 62 7.259 10.972 -18.158 1.00 0.00 H new ATOM 0 HG SER A 62 4.590 10.174 -17.451 1.00 0.00 H new ATOM 984 N GLU A 63 6.627 14.171 -16.589 1.00 0.00 N ATOM 985 CA GLU A 63 7.325 15.453 -16.503 1.00 0.00 C ATOM 986 C GLU A 63 7.708 15.769 -15.045 1.00 0.00 C ATOM 987 O GLU A 63 8.815 16.244 -14.786 1.00 0.00 O ATOM 988 CB GLU A 63 6.446 16.554 -17.126 1.00 0.00 C ATOM 989 CG GLU A 63 7.181 17.882 -17.358 1.00 0.00 C ATOM 990 CD GLU A 63 8.264 17.779 -18.448 1.00 0.00 C ATOM 991 OE1 GLU A 63 7.939 17.905 -19.651 1.00 0.00 O ATOM 992 OE2 GLU A 63 9.457 17.594 -18.116 1.00 0.00 O ATOM 0 H GLU A 63 5.655 14.250 -16.888 1.00 0.00 H new ATOM 0 HA GLU A 63 8.257 15.403 -17.066 1.00 0.00 H new ATOM 0 HB2 GLU A 63 6.054 16.196 -18.078 1.00 0.00 H new ATOM 0 HB3 GLU A 63 5.590 16.733 -16.475 1.00 0.00 H new ATOM 0 HG2 GLU A 63 6.459 18.648 -17.640 1.00 0.00 H new ATOM 0 HG3 GLU A 63 7.641 18.206 -16.424 1.00 0.00 H new ATOM 999 N MET A 64 6.831 15.453 -14.082 1.00 0.00 N ATOM 1000 CA MET A 64 7.103 15.577 -12.646 1.00 0.00 C ATOM 1001 C MET A 64 8.123 14.534 -12.149 1.00 0.00 C ATOM 1002 O MET A 64 8.598 14.645 -11.017 1.00 0.00 O ATOM 1003 CB MET A 64 5.795 15.489 -11.840 1.00 0.00 C ATOM 1004 CG MET A 64 4.892 16.710 -12.062 1.00 0.00 C ATOM 1005 SD MET A 64 3.307 16.665 -11.174 1.00 0.00 S ATOM 1006 CE MET A 64 3.867 17.048 -9.492 1.00 0.00 C ATOM 0 H MET A 64 5.896 15.098 -14.284 1.00 0.00 H new ATOM 0 HA MET A 64 7.551 16.558 -12.487 1.00 0.00 H new ATOM 0 HB2 MET A 64 5.256 14.585 -12.123 1.00 0.00 H new ATOM 0 HB3 MET A 64 6.029 15.401 -10.779 1.00 0.00 H new ATOM 0 HG2 MET A 64 5.436 17.605 -11.759 1.00 0.00 H new ATOM 0 HG3 MET A 64 4.691 16.805 -13.129 1.00 0.00 H new ATOM 0 HE1 MET A 64 3.011 17.060 -8.817 1.00 0.00 H new ATOM 0 HE2 MET A 64 4.578 16.290 -9.164 1.00 0.00 H new ATOM 0 HE3 MET A 64 4.349 18.025 -9.483 1.00 0.00 H new ATOM 1016 N GLY A 65 8.482 13.542 -12.970 1.00 0.00 N ATOM 1017 CA GLY A 65 9.584 12.622 -12.721 1.00 0.00 C ATOM 1018 C GLY A 65 9.144 11.234 -12.256 1.00 0.00 C ATOM 1019 O GLY A 65 10.012 10.405 -11.978 1.00 0.00 O ATOM 0 H GLY A 65 7.998 13.356 -13.848 1.00 0.00 H new ATOM 0 HA2 GLY A 65 10.171 12.519 -13.634 1.00 0.00 H new ATOM 0 HA3 GLY A 65 10.241 13.055 -11.967 1.00 0.00 H new ATOM 1023 N TYR A 66 7.839 10.958 -12.149 1.00 0.00 N ATOM 1024 CA TYR A 66 7.358 9.617 -11.825 1.00 0.00 C ATOM 1025 C TYR A 66 7.676 8.675 -12.988 1.00 0.00 C ATOM 1026 O TYR A 66 7.597 9.069 -14.154 1.00 0.00 O ATOM 1027 CB TYR A 66 5.850 9.610 -11.538 1.00 0.00 C ATOM 1028 CG TYR A 66 5.434 10.411 -10.316 1.00 0.00 C ATOM 1029 CD1 TYR A 66 5.159 11.788 -10.426 1.00 0.00 C ATOM 1030 CD2 TYR A 66 5.334 9.780 -9.062 1.00 0.00 C ATOM 1031 CE1 TYR A 66 4.826 12.542 -9.290 1.00 0.00 C ATOM 1032 CE2 TYR A 66 5.000 10.526 -7.918 1.00 0.00 C ATOM 1033 CZ TYR A 66 4.760 11.917 -8.027 1.00 0.00 C ATOM 1034 OH TYR A 66 4.503 12.671 -6.927 1.00 0.00 O ATOM 0 H TYR A 66 7.100 11.648 -12.283 1.00 0.00 H new ATOM 0 HA TYR A 66 7.864 9.279 -10.921 1.00 0.00 H new ATOM 0 HB2 TYR A 66 5.326 10.003 -12.409 1.00 0.00 H new ATOM 0 HB3 TYR A 66 5.523 8.578 -11.408 1.00 0.00 H new ATOM 0 HD1 TYR A 66 5.205 12.268 -11.393 1.00 0.00 H new ATOM 0 HD2 TYR A 66 5.515 8.719 -8.978 1.00 0.00 H new ATOM 0 HE1 TYR A 66 4.621 13.598 -9.383 1.00 0.00 H new ATOM 0 HE2 TYR A 66 4.927 10.038 -6.957 1.00 0.00 H new ATOM 0 HH TYR A 66 4.423 12.089 -6.143 1.00 0.00 H new ATOM 1044 N THR A 67 7.973 7.416 -12.670 1.00 0.00 N ATOM 1045 CA THR A 67 8.366 6.396 -13.645 1.00 0.00 C ATOM 1046 C THR A 67 7.570 5.090 -13.460 1.00 0.00 C ATOM 1047 O THR A 67 7.866 4.088 -14.114 1.00 0.00 O ATOM 1048 CB THR A 67 9.901 6.203 -13.576 1.00 0.00 C ATOM 1049 OG1 THR A 67 10.381 6.219 -12.240 1.00 0.00 O ATOM 1050 CG2 THR A 67 10.632 7.329 -14.320 1.00 0.00 C ATOM 0 H THR A 67 7.947 7.069 -11.711 1.00 0.00 H new ATOM 0 HA THR A 67 8.116 6.731 -14.652 1.00 0.00 H new ATOM 0 HB THR A 67 10.098 5.234 -14.035 1.00 0.00 H new ATOM 0 HG1 THR A 67 11.353 6.093 -12.240 1.00 0.00 H new ATOM 0 HG21 THR A 67 11.708 7.169 -14.256 1.00 0.00 H new ATOM 0 HG22 THR A 67 10.327 7.331 -15.367 1.00 0.00 H new ATOM 0 HG23 THR A 67 10.380 8.288 -13.867 1.00 0.00 H new ATOM 1058 N HIS A 68 6.549 5.095 -12.588 1.00 0.00 N ATOM 1059 CA HIS A 68 5.788 3.908 -12.181 1.00 0.00 C ATOM 1060 C HIS A 68 4.288 4.222 -12.139 1.00 0.00 C ATOM 1061 O HIS A 68 3.538 3.693 -11.316 1.00 0.00 O ATOM 1062 CB HIS A 68 6.323 3.377 -10.839 1.00 0.00 C ATOM 1063 CG HIS A 68 7.816 3.165 -10.832 1.00 0.00 C ATOM 1064 ND1 HIS A 68 8.500 2.018 -11.170 1.00 0.00 N ATOM 1065 CD2 HIS A 68 8.750 4.130 -10.578 1.00 0.00 C ATOM 1066 CE1 HIS A 68 9.816 2.293 -11.122 1.00 0.00 C ATOM 1067 NE2 HIS A 68 10.022 3.578 -10.772 1.00 0.00 N ATOM 0 H HIS A 68 6.223 5.949 -12.136 1.00 0.00 H new ATOM 0 HA HIS A 68 5.921 3.116 -12.918 1.00 0.00 H new ATOM 0 HB2 HIS A 68 6.059 4.079 -10.048 1.00 0.00 H new ATOM 0 HB3 HIS A 68 5.828 2.434 -10.607 1.00 0.00 H new ATOM 0 HD2 HIS A 68 8.542 5.147 -10.278 1.00 0.00 H new ATOM 0 HE1 HIS A 68 10.600 1.581 -11.335 1.00 0.00 H new ATOM 0 HE2 HIS A 68 10.920 4.051 -10.670 1.00 0.00 H new ATOM 1075 N VAL A 69 3.848 5.134 -13.003 1.00 0.00 N ATOM 1076 CA VAL A 69 2.431 5.375 -13.232 1.00 0.00 C ATOM 1077 C VAL A 69 1.927 4.202 -14.081 1.00 0.00 C ATOM 1078 O VAL A 69 2.630 3.749 -14.989 1.00 0.00 O ATOM 1079 CB VAL A 69 2.229 6.734 -13.937 1.00 0.00 C ATOM 1080 CG1 VAL A 69 0.743 7.114 -13.991 1.00 0.00 C ATOM 1081 CG2 VAL A 69 2.989 7.868 -13.230 1.00 0.00 C ATOM 0 H VAL A 69 4.465 5.724 -13.562 1.00 0.00 H new ATOM 0 HA VAL A 69 1.869 5.430 -12.300 1.00 0.00 H new ATOM 0 HB VAL A 69 2.622 6.613 -14.947 1.00 0.00 H new ATOM 0 HG11 VAL A 69 0.631 8.075 -14.493 1.00 0.00 H new ATOM 0 HG12 VAL A 69 0.192 6.351 -14.541 1.00 0.00 H new ATOM 0 HG13 VAL A 69 0.349 7.186 -12.977 1.00 0.00 H new ATOM 0 HG21 VAL A 69 2.819 8.805 -13.759 1.00 0.00 H new ATOM 0 HG22 VAL A 69 2.632 7.961 -12.204 1.00 0.00 H new ATOM 0 HG23 VAL A 69 4.056 7.643 -13.224 1.00 0.00 H new ATOM 1091 N GLU A 70 0.714 3.720 -13.817 1.00 0.00 N ATOM 1092 CA GLU A 70 0.086 2.665 -14.596 1.00 0.00 C ATOM 1093 C GLU A 70 -1.397 2.999 -14.702 1.00 0.00 C ATOM 1094 O GLU A 70 -2.065 3.208 -13.685 1.00 0.00 O ATOM 1095 CB GLU A 70 0.335 1.307 -13.921 1.00 0.00 C ATOM 1096 CG GLU A 70 -0.256 0.151 -14.741 1.00 0.00 C ATOM 1097 CD GLU A 70 0.153 -1.212 -14.164 1.00 0.00 C ATOM 1098 OE1 GLU A 70 -0.421 -1.629 -13.132 1.00 0.00 O ATOM 1099 OE2 GLU A 70 1.035 -1.886 -14.744 1.00 0.00 O ATOM 0 H GLU A 70 0.137 4.058 -13.047 1.00 0.00 H new ATOM 0 HA GLU A 70 0.506 2.597 -15.599 1.00 0.00 H new ATOM 0 HB2 GLU A 70 1.407 1.154 -13.795 1.00 0.00 H new ATOM 0 HB3 GLU A 70 -0.106 1.309 -12.924 1.00 0.00 H new ATOM 0 HG2 GLU A 70 -1.343 0.231 -14.754 1.00 0.00 H new ATOM 0 HG3 GLU A 70 0.082 0.226 -15.775 1.00 0.00 H new ATOM 1106 N ASN A 71 -1.917 3.073 -15.931 1.00 0.00 N ATOM 1107 CA ASN A 71 -3.349 3.233 -16.124 1.00 0.00 C ATOM 1108 C ASN A 71 -4.026 1.891 -15.847 1.00 0.00 C ATOM 1109 O ASN A 71 -3.877 0.957 -16.636 1.00 0.00 O ATOM 1110 CB ASN A 71 -3.708 3.762 -17.518 1.00 0.00 C ATOM 1111 CG ASN A 71 -5.223 3.749 -17.734 1.00 0.00 C ATOM 1112 OD1 ASN A 71 -5.709 3.254 -18.745 1.00 0.00 O ATOM 1113 ND2 ASN A 71 -6.006 4.264 -16.796 1.00 0.00 N ATOM 0 H ASN A 71 -1.371 3.025 -16.792 1.00 0.00 H new ATOM 0 HA ASN A 71 -3.710 3.988 -15.426 1.00 0.00 H new ATOM 0 HB2 ASN A 71 -3.329 4.777 -17.635 1.00 0.00 H new ATOM 0 HB3 ASN A 71 -3.223 3.151 -18.279 1.00 0.00 H new ATOM 0 HD21 ASN A 71 -7.019 4.250 -16.913 1.00 0.00 H new ATOM 0 HD22 ASN A 71 -5.595 4.674 -15.957 1.00 0.00 H new ATOM 1120 N ALA A 72 -4.751 1.790 -14.730 1.00 0.00 N ATOM 1121 CA ALA A 72 -5.475 0.575 -14.369 1.00 0.00 C ATOM 1122 C ALA A 72 -6.625 0.297 -15.349 1.00 0.00 C ATOM 1123 O ALA A 72 -6.981 -0.864 -15.553 1.00 0.00 O ATOM 1124 CB ALA A 72 -6.006 0.687 -12.935 1.00 0.00 C ATOM 0 H ALA A 72 -4.851 2.547 -14.054 1.00 0.00 H new ATOM 0 HA ALA A 72 -4.781 -0.264 -14.427 1.00 0.00 H new ATOM 0 HB1 ALA A 72 -6.545 -0.224 -12.674 1.00 0.00 H new ATOM 0 HB2 ALA A 72 -5.171 0.824 -12.248 1.00 0.00 H new ATOM 0 HB3 ALA A 72 -6.680 1.541 -12.862 1.00 0.00 H new ATOM 1130 N GLY A 73 -7.198 1.344 -15.952 1.00 0.00 N ATOM 1131 CA GLY A 73 -8.296 1.256 -16.904 1.00 0.00 C ATOM 1132 C GLY A 73 -9.193 2.477 -16.760 1.00 0.00 C ATOM 1133 O GLY A 73 -8.715 3.576 -16.467 1.00 0.00 O ATOM 0 H GLY A 73 -6.897 2.303 -15.782 1.00 0.00 H new ATOM 0 HA2 GLY A 73 -7.906 1.196 -17.920 1.00 0.00 H new ATOM 0 HA3 GLY A 73 -8.871 0.347 -16.729 1.00 0.00 H new ATOM 1137 N GLY A 74 -10.495 2.273 -16.931 1.00 0.00 N ATOM 1138 CA GLY A 74 -11.525 3.255 -16.637 1.00 0.00 C ATOM 1139 C GLY A 74 -12.698 2.556 -15.962 1.00 0.00 C ATOM 1140 O GLY A 74 -12.693 1.330 -15.825 1.00 0.00 O ATOM 0 H GLY A 74 -10.870 1.394 -17.288 1.00 0.00 H new ATOM 0 HA2 GLY A 74 -11.127 4.035 -15.988 1.00 0.00 H new ATOM 0 HA3 GLY A 74 -11.854 3.742 -17.555 1.00 0.00 H new ATOM 1144 N LEU A 75 -13.693 3.342 -15.542 1.00 0.00 N ATOM 1145 CA LEU A 75 -14.805 2.914 -14.684 1.00 0.00 C ATOM 1146 C LEU A 75 -15.412 1.574 -15.112 1.00 0.00 C ATOM 1147 O LEU A 75 -15.542 0.668 -14.288 1.00 0.00 O ATOM 1148 CB LEU A 75 -15.858 4.047 -14.661 1.00 0.00 C ATOM 1149 CG LEU A 75 -17.107 3.875 -13.765 1.00 0.00 C ATOM 1150 CD1 LEU A 75 -18.182 2.950 -14.349 1.00 0.00 C ATOM 1151 CD2 LEU A 75 -16.755 3.432 -12.342 1.00 0.00 C ATOM 0 H LEU A 75 -13.750 4.328 -15.798 1.00 0.00 H new ATOM 0 HA LEU A 75 -14.426 2.737 -13.677 1.00 0.00 H new ATOM 0 HB2 LEU A 75 -15.353 4.963 -14.354 1.00 0.00 H new ATOM 0 HB3 LEU A 75 -16.202 4.201 -15.684 1.00 0.00 H new ATOM 0 HG LEU A 75 -17.538 4.875 -13.726 1.00 0.00 H new ATOM 0 HD11 LEU A 75 -19.022 2.886 -13.657 1.00 0.00 H new ATOM 0 HD12 LEU A 75 -18.527 3.350 -15.302 1.00 0.00 H new ATOM 0 HD13 LEU A 75 -17.762 1.956 -14.503 1.00 0.00 H new ATOM 0 HD21 LEU A 75 -17.669 3.327 -11.757 1.00 0.00 H new ATOM 0 HD22 LEU A 75 -16.235 2.475 -12.377 1.00 0.00 H new ATOM 0 HD23 LEU A 75 -16.111 4.178 -11.877 1.00 0.00 H new ATOM 1163 N LYS A 76 -15.789 1.448 -16.389 1.00 0.00 N ATOM 1164 CA LYS A 76 -16.476 0.258 -16.890 1.00 0.00 C ATOM 1165 C LYS A 76 -15.518 -0.930 -17.004 1.00 0.00 C ATOM 1166 O LYS A 76 -15.925 -2.069 -16.774 1.00 0.00 O ATOM 1167 CB LYS A 76 -17.127 0.594 -18.245 1.00 0.00 C ATOM 1168 CG LYS A 76 -18.035 -0.532 -18.766 1.00 0.00 C ATOM 1169 CD LYS A 76 -18.739 -0.116 -20.064 1.00 0.00 C ATOM 1170 CE LYS A 76 -19.634 -1.259 -20.566 1.00 0.00 C ATOM 1171 NZ LYS A 76 -20.340 -0.908 -21.824 1.00 0.00 N ATOM 0 H LYS A 76 -15.627 2.163 -17.098 1.00 0.00 H new ATOM 0 HA LYS A 76 -17.253 -0.037 -16.184 1.00 0.00 H new ATOM 0 HB2 LYS A 76 -17.711 1.509 -18.145 1.00 0.00 H new ATOM 0 HB3 LYS A 76 -16.346 0.793 -18.979 1.00 0.00 H new ATOM 0 HG2 LYS A 76 -17.442 -1.430 -18.941 1.00 0.00 H new ATOM 0 HG3 LYS A 76 -18.778 -0.784 -18.010 1.00 0.00 H new ATOM 0 HD2 LYS A 76 -19.339 0.778 -19.892 1.00 0.00 H new ATOM 0 HD3 LYS A 76 -17.999 0.138 -20.823 1.00 0.00 H new ATOM 0 HE2 LYS A 76 -19.026 -2.149 -20.729 1.00 0.00 H new ATOM 0 HE3 LYS A 76 -20.366 -1.509 -19.798 1.00 0.00 H new ATOM 0 HZ1 LYS A 76 -20.932 -1.709 -22.125 1.00 0.00 H new ATOM 0 HZ2 LYS A 76 -20.941 -0.074 -21.664 1.00 0.00 H new ATOM 0 HZ3 LYS A 76 -19.643 -0.695 -22.566 1.00 0.00 H new ATOM 1185 N ASP A 77 -14.264 -0.678 -17.385 1.00 0.00 N ATOM 1186 CA ASP A 77 -13.293 -1.730 -17.682 1.00 0.00 C ATOM 1187 C ASP A 77 -12.778 -2.398 -16.406 1.00 0.00 C ATOM 1188 O ASP A 77 -12.585 -3.614 -16.383 1.00 0.00 O ATOM 1189 CB ASP A 77 -12.113 -1.146 -18.465 1.00 0.00 C ATOM 1190 CG ASP A 77 -11.063 -2.229 -18.765 1.00 0.00 C ATOM 1191 OD1 ASP A 77 -11.313 -3.094 -19.635 1.00 0.00 O ATOM 1192 OD2 ASP A 77 -9.971 -2.199 -18.157 1.00 0.00 O ATOM 0 H ASP A 77 -13.893 0.266 -17.496 1.00 0.00 H new ATOM 0 HA ASP A 77 -13.798 -2.487 -18.282 1.00 0.00 H new ATOM 0 HB2 ASP A 77 -12.470 -0.712 -19.399 1.00 0.00 H new ATOM 0 HB3 ASP A 77 -11.656 -0.339 -17.893 1.00 0.00 H new ATOM 1197 N ILE A 78 -12.561 -1.615 -15.345 1.00 0.00 N ATOM 1198 CA ILE A 78 -12.039 -2.102 -14.072 1.00 0.00 C ATOM 1199 C ILE A 78 -13.089 -3.024 -13.439 1.00 0.00 C ATOM 1200 O ILE A 78 -14.251 -2.639 -13.288 1.00 0.00 O ATOM 1201 CB ILE A 78 -11.641 -0.892 -13.192 1.00 0.00 C ATOM 1202 CG1 ILE A 78 -10.399 -0.215 -13.816 1.00 0.00 C ATOM 1203 CG2 ILE A 78 -11.350 -1.300 -11.736 1.00 0.00 C ATOM 1204 CD1 ILE A 78 -10.068 1.151 -13.215 1.00 0.00 C ATOM 0 H ILE A 78 -12.747 -0.612 -15.350 1.00 0.00 H new ATOM 0 HA ILE A 78 -11.133 -2.695 -14.198 1.00 0.00 H new ATOM 0 HB ILE A 78 -12.480 -0.197 -13.162 1.00 0.00 H new ATOM 0 HG12 ILE A 78 -9.539 -0.873 -13.693 1.00 0.00 H new ATOM 0 HG13 ILE A 78 -10.561 -0.099 -14.888 1.00 0.00 H new ATOM 0 HG21 ILE A 78 -11.075 -0.417 -11.159 1.00 0.00 H new ATOM 0 HG22 ILE A 78 -12.240 -1.756 -11.301 1.00 0.00 H new ATOM 0 HG23 ILE A 78 -10.529 -2.016 -11.716 1.00 0.00 H new ATOM 0 HD11 ILE A 78 -9.185 1.560 -13.706 1.00 0.00 H new ATOM 0 HD12 ILE A 78 -10.910 1.827 -13.362 1.00 0.00 H new ATOM 0 HD13 ILE A 78 -9.872 1.041 -12.148 1.00 0.00 H new ATOM 1216 N ALA A 79 -12.679 -4.235 -13.047 1.00 0.00 N ATOM 1217 CA ALA A 79 -13.568 -5.243 -12.469 1.00 0.00 C ATOM 1218 C ALA A 79 -13.806 -5.046 -10.962 1.00 0.00 C ATOM 1219 O ALA A 79 -14.709 -5.673 -10.404 1.00 0.00 O ATOM 1220 CB ALA A 79 -12.976 -6.635 -12.728 1.00 0.00 C ATOM 0 H ALA A 79 -11.710 -4.544 -13.124 1.00 0.00 H new ATOM 0 HA ALA A 79 -14.540 -5.139 -12.951 1.00 0.00 H new ATOM 0 HB1 ALA A 79 -13.631 -7.394 -12.301 1.00 0.00 H new ATOM 0 HB2 ALA A 79 -12.884 -6.797 -13.802 1.00 0.00 H new ATOM 0 HB3 ALA A 79 -11.991 -6.704 -12.265 1.00 0.00 H new ATOM 1226 N MET A 80 -12.999 -4.213 -10.294 1.00 0.00 N ATOM 1227 CA MET A 80 -13.096 -3.968 -8.852 1.00 0.00 C ATOM 1228 C MET A 80 -14.443 -3.316 -8.485 1.00 0.00 C ATOM 1229 O MET A 80 -15.050 -2.665 -9.343 1.00 0.00 O ATOM 1230 CB MET A 80 -11.938 -3.070 -8.388 1.00 0.00 C ATOM 1231 CG MET A 80 -10.577 -3.771 -8.458 1.00 0.00 C ATOM 1232 SD MET A 80 -9.150 -2.690 -8.161 1.00 0.00 S ATOM 1233 CE MET A 80 -9.409 -2.205 -6.431 1.00 0.00 C ATOM 0 H MET A 80 -12.252 -3.685 -10.746 1.00 0.00 H new ATOM 0 HA MET A 80 -13.033 -4.930 -8.344 1.00 0.00 H new ATOM 0 HB2 MET A 80 -11.911 -2.172 -9.005 1.00 0.00 H new ATOM 0 HB3 MET A 80 -12.123 -2.747 -7.363 1.00 0.00 H new ATOM 0 HG2 MET A 80 -10.562 -4.579 -7.726 1.00 0.00 H new ATOM 0 HG3 MET A 80 -10.470 -4.229 -9.441 1.00 0.00 H new ATOM 0 HE1 MET A 80 -8.569 -1.598 -6.094 1.00 0.00 H new ATOM 0 HE2 MET A 80 -10.330 -1.628 -6.349 1.00 0.00 H new ATOM 0 HE3 MET A 80 -9.483 -3.098 -5.810 1.00 0.00 H new ATOM 1243 N PRO A 81 -14.912 -3.452 -7.229 1.00 0.00 N ATOM 1244 CA PRO A 81 -16.063 -2.720 -6.700 1.00 0.00 C ATOM 1245 C PRO A 81 -15.925 -1.193 -6.803 1.00 0.00 C ATOM 1246 O PRO A 81 -14.817 -0.656 -6.899 1.00 0.00 O ATOM 1247 CB PRO A 81 -16.182 -3.150 -5.233 1.00 0.00 C ATOM 1248 CG PRO A 81 -15.511 -4.517 -5.190 1.00 0.00 C ATOM 1249 CD PRO A 81 -14.395 -4.367 -6.218 1.00 0.00 C ATOM 0 HA PRO A 81 -16.951 -2.957 -7.287 1.00 0.00 H new ATOM 0 HB2 PRO A 81 -15.687 -2.442 -4.569 1.00 0.00 H new ATOM 0 HB3 PRO A 81 -17.224 -3.207 -4.918 1.00 0.00 H new ATOM 0 HG2 PRO A 81 -15.121 -4.747 -4.198 1.00 0.00 H new ATOM 0 HG3 PRO A 81 -16.202 -5.317 -5.455 1.00 0.00 H new ATOM 0 HD2 PRO A 81 -13.489 -3.972 -5.758 1.00 0.00 H new ATOM 0 HD3 PRO A 81 -14.135 -5.330 -6.657 1.00 0.00 H new ATOM 1257 N LYS A 82 -17.051 -0.480 -6.702 1.00 0.00 N ATOM 1258 CA LYS A 82 -17.122 0.981 -6.780 1.00 0.00 C ATOM 1259 C LYS A 82 -18.034 1.518 -5.680 1.00 0.00 C ATOM 1260 O LYS A 82 -18.882 0.785 -5.167 1.00 0.00 O ATOM 1261 CB LYS A 82 -17.660 1.443 -8.146 1.00 0.00 C ATOM 1262 CG LYS A 82 -16.783 1.104 -9.358 1.00 0.00 C ATOM 1263 CD LYS A 82 -17.205 -0.193 -10.058 1.00 0.00 C ATOM 1264 CE LYS A 82 -16.276 -0.469 -11.246 1.00 0.00 C ATOM 1265 NZ LYS A 82 -16.395 -1.866 -11.715 1.00 0.00 N ATOM 0 H LYS A 82 -17.962 -0.916 -6.560 1.00 0.00 H new ATOM 0 HA LYS A 82 -16.112 1.369 -6.652 1.00 0.00 H new ATOM 0 HB2 LYS A 82 -18.644 0.998 -8.297 1.00 0.00 H new ATOM 0 HB3 LYS A 82 -17.800 2.523 -8.114 1.00 0.00 H new ATOM 0 HG2 LYS A 82 -16.826 1.926 -10.072 1.00 0.00 H new ATOM 0 HG3 LYS A 82 -15.746 1.016 -9.036 1.00 0.00 H new ATOM 0 HD2 LYS A 82 -17.168 -1.025 -9.355 1.00 0.00 H new ATOM 0 HD3 LYS A 82 -18.236 -0.112 -10.402 1.00 0.00 H new ATOM 0 HE2 LYS A 82 -16.516 0.212 -12.063 1.00 0.00 H new ATOM 0 HE3 LYS A 82 -15.244 -0.268 -10.957 1.00 0.00 H new ATOM 0 HZ1 LYS A 82 -15.729 -2.028 -12.497 1.00 0.00 H new ATOM 0 HZ2 LYS A 82 -16.175 -2.515 -10.933 1.00 0.00 H new ATOM 0 HZ3 LYS A 82 -17.366 -2.040 -12.046 1.00 0.00 H new ATOM 1279 N VAL A 83 -17.881 2.798 -5.342 1.00 0.00 N ATOM 1280 CA VAL A 83 -18.705 3.495 -4.363 1.00 0.00 C ATOM 1281 C VAL A 83 -18.879 4.944 -4.805 1.00 0.00 C ATOM 1282 O VAL A 83 -18.159 5.453 -5.670 1.00 0.00 O ATOM 1283 CB VAL A 83 -18.106 3.330 -2.949 1.00 0.00 C ATOM 1284 CG1 VAL A 83 -16.724 3.986 -2.798 1.00 0.00 C ATOM 1285 CG2 VAL A 83 -19.018 3.791 -1.803 1.00 0.00 C ATOM 0 H VAL A 83 -17.161 3.392 -5.754 1.00 0.00 H new ATOM 0 HA VAL A 83 -19.703 3.061 -4.308 1.00 0.00 H new ATOM 0 HB VAL A 83 -17.999 2.249 -2.857 1.00 0.00 H new ATOM 0 HG11 VAL A 83 -16.358 3.835 -1.782 1.00 0.00 H new ATOM 0 HG12 VAL A 83 -16.028 3.535 -3.505 1.00 0.00 H new ATOM 0 HG13 VAL A 83 -16.804 5.054 -2.999 1.00 0.00 H new ATOM 0 HG21 VAL A 83 -18.512 3.636 -0.850 1.00 0.00 H new ATOM 0 HG22 VAL A 83 -19.248 4.850 -1.924 1.00 0.00 H new ATOM 0 HG23 VAL A 83 -19.943 3.215 -1.820 1.00 0.00 H new ATOM 1295 N LYS A 84 -19.852 5.601 -4.187 1.00 0.00 N ATOM 1296 CA LYS A 84 -20.369 6.910 -4.578 1.00 0.00 C ATOM 1297 C LYS A 84 -20.289 7.881 -3.399 1.00 0.00 C ATOM 1298 O LYS A 84 -20.157 7.446 -2.251 1.00 0.00 O ATOM 1299 CB LYS A 84 -21.822 6.761 -5.067 1.00 0.00 C ATOM 1300 CG LYS A 84 -22.005 5.720 -6.191 1.00 0.00 C ATOM 1301 CD LYS A 84 -23.401 5.854 -6.820 1.00 0.00 C ATOM 1302 CE LYS A 84 -23.635 4.994 -8.072 1.00 0.00 C ATOM 1303 NZ LYS A 84 -23.427 3.543 -7.850 1.00 0.00 N ATOM 0 H LYS A 84 -20.323 5.222 -3.365 1.00 0.00 H new ATOM 0 HA LYS A 84 -19.764 7.313 -5.390 1.00 0.00 H new ATOM 0 HB2 LYS A 84 -22.452 6.482 -4.222 1.00 0.00 H new ATOM 0 HB3 LYS A 84 -22.176 7.729 -5.422 1.00 0.00 H new ATOM 0 HG2 LYS A 84 -21.240 5.861 -6.954 1.00 0.00 H new ATOM 0 HG3 LYS A 84 -21.874 4.715 -5.790 1.00 0.00 H new ATOM 0 HD2 LYS A 84 -24.147 5.589 -6.071 1.00 0.00 H new ATOM 0 HD3 LYS A 84 -23.567 6.900 -7.080 1.00 0.00 H new ATOM 0 HE2 LYS A 84 -24.653 5.155 -8.427 1.00 0.00 H new ATOM 0 HE3 LYS A 84 -22.965 5.331 -8.863 1.00 0.00 H new ATOM 0 HZ1 LYS A 84 -24.126 3.004 -8.400 1.00 0.00 H new ATOM 0 HZ2 LYS A 84 -22.468 3.279 -8.154 1.00 0.00 H new ATOM 0 HZ3 LYS A 84 -23.541 3.327 -6.839 1.00 0.00 H new ATOM 1317 N GLY A 85 -20.363 9.184 -3.682 1.00 0.00 N ATOM 1318 CA GLY A 85 -20.411 10.227 -2.665 1.00 0.00 C ATOM 1319 C GLY A 85 -21.595 10.000 -1.731 1.00 0.00 C ATOM 1320 O GLY A 85 -22.712 9.743 -2.229 1.00 0.00 O ATOM 1321 OXT GLY A 85 -21.410 10.091 -0.501 1.00 0.00 O ATOM 0 H GLY A 85 -20.391 9.544 -4.636 1.00 0.00 H new ATOM 0 HA2 GLY A 85 -19.483 10.230 -2.093 1.00 0.00 H new ATOM 0 HA3 GLY A 85 -20.496 11.204 -3.140 1.00 0.00 H new TER 1325 GLY A 85