USER MOD reduce.3.24.130724 H: found=0, std=0, add=665, rem=0, adj=18 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 58 LYS NZ :NH3+ 174:sc= 0.853 (180deg=0) USER MOD Set 1.2: A 62 SER OG : rot 89:sc= 2.04 USER MOD Set 2.1: A 48 CYS SG : rot -61:sc= 1.33 USER MOD Set 2.2: A 54 SER OG : rot -43:sc= 0.132 USER MOD Set 3.1: A 43 THR OG1 : rot -54:sc= 1.77 USER MOD Set 3.2: A 68 HIS : no HE2:sc= 0.729 K(o=2.5,f=-3.1!) USER MOD Set 4.1: A 41 ASN : amide:sc= 0.981 K(o=1,f=-0.067) USER MOD Set 4.2: A 67 THR OG1 : rot 142:sc= 0.0269 USER MOD Set 5.1: A 12 GLN : amide:sc= 0.725 K(o=1.6,f=-2.7) USER MOD Set 5.2: A 49 ASN : amide:sc= 0.913 K(o=1.6,f=-1.4) USER MOD Single : A 1 ALA N :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 3 HIS : no HD1:sc= -0.0409 X(o=-0.041,f=0) USER MOD Single : A 13 TYR OH : rot 180:sc= 0 USER MOD Single : A 14 GLN : amide:sc= 0.907 K(o=0.91,f=0) USER MOD Single : A 15 GLN : amide:sc= 0.78 K(o=0.78,f=0) USER MOD Single : A 17 HIS : no HE2:sc= 0.819 K(o=0.82,f=-2.9!) USER MOD Single : A 19 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 23 ASN : amide:sc= 1.69 K(o=1.7,f=-0.48) 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+ -171:sc= 1.16 (180deg=1.1) USER MOD Single : A 45 LYS NZ :NH3+ -165:sc= 1.22 (180deg=1.15) USER MOD Single : A 47 TYR OH : rot 165:sc= 0.441 USER MOD Single : A 53 GLN : amide:sc= 0.854 K(o=0.85,f=0) USER MOD Single : A 56 GLN : amide:sc= 0.0665 X(o=0.066,f=-0.41) USER MOD Single : A 64 MET CE :methyl 175:sc= 0 (180deg=-0.0459) USER MOD Single : A 66 TYR OH : rot -165:sc= 1.23 USER MOD Single : A 71 ASN : amide:sc= -0.5 K(o=-0.5,f=0) USER MOD Single : A 76 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 80 MET CE :methyl -175:sc= 0 (180deg=-0.0273) USER MOD Single : A 82 LYS NZ :NH3+ -155:sc= 2.25 (180deg=1.33) USER MOD Single : A 84 LYS NZ :NH3+ -171:sc= 1.27 (180deg=1.17) USER MOD ----------------------------------------------------------------- ATOM 1 N ALA A 1 0.374 -0.289 1.170 1.00 0.00 N ATOM 2 CA ALA A 1 0.484 -0.333 -0.307 1.00 0.00 C ATOM 3 C ALA A 1 1.294 -1.563 -0.755 1.00 0.00 C ATOM 4 O ALA A 1 2.362 -1.425 -1.356 1.00 0.00 O ATOM 5 CB ALA A 1 1.067 0.988 -0.849 1.00 0.00 C ATOM 0 H1 ALA A 1 -0.176 0.548 1.452 1.00 0.00 H new ATOM 0 H2 ALA A 1 -0.105 -1.148 1.508 1.00 0.00 H new ATOM 0 H3 ALA A 1 1.325 -0.235 1.587 1.00 0.00 H new ATOM 0 HA ALA A 1 -0.514 -0.438 -0.733 1.00 0.00 H new ATOM 0 HB1 ALA A 1 1.140 0.935 -1.935 1.00 0.00 H new ATOM 0 HB2 ALA A 1 0.415 1.815 -0.569 1.00 0.00 H new ATOM 0 HB3 ALA A 1 2.059 1.148 -0.427 1.00 0.00 H new ATOM 13 N GLU A 2 0.803 -2.780 -0.491 1.00 0.00 N ATOM 14 CA GLU A 2 1.417 -4.022 -0.949 1.00 0.00 C ATOM 15 C GLU A 2 0.306 -5.070 -1.108 1.00 0.00 C ATOM 16 O GLU A 2 -0.655 -5.070 -0.330 1.00 0.00 O ATOM 17 CB GLU A 2 2.462 -4.475 0.093 1.00 0.00 C ATOM 18 CG GLU A 2 3.242 -5.743 -0.287 1.00 0.00 C ATOM 19 CD GLU A 2 4.200 -6.179 0.836 1.00 0.00 C ATOM 20 OE1 GLU A 2 5.248 -5.525 1.036 1.00 0.00 O ATOM 21 OE2 GLU A 2 3.918 -7.195 1.513 1.00 0.00 O ATOM 0 H GLU A 2 -0.046 -2.926 0.056 1.00 0.00 H new ATOM 0 HA GLU A 2 1.922 -3.887 -1.906 1.00 0.00 H new ATOM 0 HB2 GLU A 2 3.171 -3.663 0.252 1.00 0.00 H new ATOM 0 HB3 GLU A 2 1.956 -4.647 1.043 1.00 0.00 H new ATOM 0 HG2 GLU A 2 2.542 -6.550 -0.502 1.00 0.00 H new ATOM 0 HG3 GLU A 2 3.810 -5.562 -1.200 1.00 0.00 H new ATOM 28 N HIS A 3 0.473 -5.990 -2.058 1.00 0.00 N ATOM 29 CA HIS A 3 -0.324 -7.200 -2.244 1.00 0.00 C ATOM 30 C HIS A 3 0.623 -8.303 -2.725 1.00 0.00 C ATOM 31 O HIS A 3 1.729 -8.007 -3.175 1.00 0.00 O ATOM 32 CB HIS A 3 -1.428 -6.992 -3.295 1.00 0.00 C ATOM 33 CG HIS A 3 -2.489 -5.982 -2.939 1.00 0.00 C ATOM 34 ND1 HIS A 3 -3.448 -6.104 -1.955 1.00 0.00 N ATOM 35 CD2 HIS A 3 -2.737 -4.810 -3.599 1.00 0.00 C ATOM 36 CE1 HIS A 3 -4.244 -5.023 -2.017 1.00 0.00 C ATOM 37 NE2 HIS A 3 -3.856 -4.202 -3.011 1.00 0.00 N ATOM 0 H HIS A 3 1.210 -5.905 -2.758 1.00 0.00 H new ATOM 0 HA HIS A 3 -0.807 -7.463 -1.303 1.00 0.00 H new ATOM 0 HB2 HIS A 3 -0.960 -6.685 -4.230 1.00 0.00 H new ATOM 0 HB3 HIS A 3 -1.913 -7.951 -3.480 1.00 0.00 H new ATOM 0 HD2 HIS A 3 -2.169 -4.420 -4.430 1.00 0.00 H new ATOM 0 HE1 HIS A 3 -5.081 -4.838 -1.359 1.00 0.00 H new ATOM 0 HE2 HIS A 3 -4.288 -3.318 -3.281 1.00 0.00 H new ATOM 45 N TRP A 4 0.183 -9.563 -2.693 1.00 0.00 N ATOM 46 CA TRP A 4 0.956 -10.707 -3.162 1.00 0.00 C ATOM 47 C TRP A 4 0.091 -11.463 -4.155 1.00 0.00 C ATOM 48 O TRP A 4 -0.918 -12.056 -3.768 1.00 0.00 O ATOM 49 CB TRP A 4 1.380 -11.595 -1.982 1.00 0.00 C ATOM 50 CG TRP A 4 2.465 -11.046 -1.103 1.00 0.00 C ATOM 51 CD1 TRP A 4 2.331 -10.015 -0.239 1.00 0.00 C ATOM 52 CD2 TRP A 4 3.859 -11.476 -0.986 1.00 0.00 C ATOM 53 NE1 TRP A 4 3.534 -9.759 0.382 1.00 0.00 N ATOM 54 CE2 TRP A 4 4.511 -10.640 -0.026 1.00 0.00 C ATOM 55 CE3 TRP A 4 4.645 -12.482 -1.595 1.00 0.00 C ATOM 56 CZ2 TRP A 4 5.867 -10.790 0.305 1.00 0.00 C ATOM 57 CZ3 TRP A 4 6.000 -12.651 -1.254 1.00 0.00 C ATOM 58 CH2 TRP A 4 6.615 -11.804 -0.315 1.00 0.00 C ATOM 0 H TRP A 4 -0.737 -9.817 -2.333 1.00 0.00 H new ATOM 0 HA TRP A 4 1.876 -10.382 -3.648 1.00 0.00 H new ATOM 0 HB2 TRP A 4 0.503 -11.788 -1.365 1.00 0.00 H new ATOM 0 HB3 TRP A 4 1.710 -12.556 -2.376 1.00 0.00 H new ATOM 0 HD1 TRP A 4 1.415 -9.471 -0.061 1.00 0.00 H new ATOM 0 HE1 TRP A 4 3.682 -9.011 1.059 1.00 0.00 H new ATOM 0 HE3 TRP A 4 4.198 -13.131 -2.334 1.00 0.00 H new ATOM 0 HZ2 TRP A 4 6.329 -10.134 1.028 1.00 0.00 H new ATOM 0 HZ3 TRP A 4 6.573 -13.440 -1.718 1.00 0.00 H new ATOM 0 HH2 TRP A 4 7.659 -11.933 -0.071 1.00 0.00 H new ATOM 69 N ILE A 5 0.461 -11.411 -5.434 1.00 0.00 N ATOM 70 CA ILE A 5 -0.267 -12.077 -6.499 1.00 0.00 C ATOM 71 C ILE A 5 0.624 -13.237 -6.943 1.00 0.00 C ATOM 72 O ILE A 5 1.759 -13.062 -7.395 1.00 0.00 O ATOM 73 CB ILE A 5 -0.671 -11.096 -7.625 1.00 0.00 C ATOM 74 CG1 ILE A 5 -1.832 -10.141 -7.248 1.00 0.00 C ATOM 75 CG2 ILE A 5 -1.176 -11.872 -8.855 1.00 0.00 C ATOM 76 CD1 ILE A 5 -1.622 -9.224 -6.039 1.00 0.00 C ATOM 0 H ILE A 5 1.282 -10.900 -5.757 1.00 0.00 H new ATOM 0 HA ILE A 5 -1.229 -12.467 -6.166 1.00 0.00 H new ATOM 0 HB ILE A 5 0.233 -10.518 -7.816 1.00 0.00 H new ATOM 0 HG12 ILE A 5 -2.048 -9.514 -8.113 1.00 0.00 H new ATOM 0 HG13 ILE A 5 -2.720 -10.746 -7.063 1.00 0.00 H new ATOM 0 HG21 ILE A 5 -1.457 -11.169 -9.639 1.00 0.00 H new ATOM 0 HG22 ILE A 5 -0.386 -12.527 -9.221 1.00 0.00 H new ATOM 0 HG23 ILE A 5 -2.044 -12.470 -8.577 1.00 0.00 H new ATOM 0 HD11 ILE A 5 -2.511 -8.611 -5.889 1.00 0.00 H new ATOM 0 HD12 ILE A 5 -1.444 -9.829 -5.150 1.00 0.00 H new ATOM 0 HD13 ILE A 5 -0.762 -8.579 -6.217 1.00 0.00 H new ATOM 88 N ASP A 6 0.093 -14.436 -6.765 1.00 0.00 N ATOM 89 CA ASP A 6 0.639 -15.687 -7.241 1.00 0.00 C ATOM 90 C ASP A 6 0.309 -15.796 -8.729 1.00 0.00 C ATOM 91 O ASP A 6 -0.834 -16.090 -9.083 1.00 0.00 O ATOM 92 CB ASP A 6 -0.018 -16.813 -6.443 1.00 0.00 C ATOM 93 CG ASP A 6 0.413 -18.192 -6.917 1.00 0.00 C ATOM 94 OD1 ASP A 6 1.584 -18.382 -7.296 1.00 0.00 O ATOM 95 OD2 ASP A 6 -0.422 -19.122 -6.864 1.00 0.00 O ATOM 0 H ASP A 6 -0.781 -14.564 -6.255 1.00 0.00 H new ATOM 0 HA ASP A 6 1.720 -15.748 -7.112 1.00 0.00 H new ATOM 0 HB2 ASP A 6 0.233 -16.700 -5.388 1.00 0.00 H new ATOM 0 HB3 ASP A 6 -1.102 -16.727 -6.524 1.00 0.00 H new ATOM 100 N VAL A 7 1.278 -15.495 -9.599 1.00 0.00 N ATOM 101 CA VAL A 7 1.096 -15.463 -11.055 1.00 0.00 C ATOM 102 C VAL A 7 1.139 -16.870 -11.677 1.00 0.00 C ATOM 103 O VAL A 7 1.020 -17.032 -12.895 1.00 0.00 O ATOM 104 CB VAL A 7 2.085 -14.476 -11.717 1.00 0.00 C ATOM 105 CG1 VAL A 7 2.010 -13.083 -11.069 1.00 0.00 C ATOM 106 CG2 VAL A 7 3.551 -14.936 -11.717 1.00 0.00 C ATOM 0 H VAL A 7 2.227 -15.263 -9.307 1.00 0.00 H new ATOM 0 HA VAL A 7 0.093 -15.086 -11.257 1.00 0.00 H new ATOM 0 HB VAL A 7 1.760 -14.437 -12.757 1.00 0.00 H new ATOM 0 HG11 VAL A 7 2.718 -12.415 -11.559 1.00 0.00 H new ATOM 0 HG12 VAL A 7 1.001 -12.685 -11.178 1.00 0.00 H new ATOM 0 HG13 VAL A 7 2.257 -13.160 -10.010 1.00 0.00 H new ATOM 0 HG21 VAL A 7 4.169 -14.180 -12.202 1.00 0.00 H new ATOM 0 HG22 VAL A 7 3.888 -15.077 -10.690 1.00 0.00 H new ATOM 0 HG23 VAL A 7 3.637 -15.878 -12.259 1.00 0.00 H new ATOM 116 N ARG A 8 1.374 -17.884 -10.843 1.00 0.00 N ATOM 117 CA ARG A 8 1.463 -19.306 -11.164 1.00 0.00 C ATOM 118 C ARG A 8 0.125 -19.836 -11.674 1.00 0.00 C ATOM 119 O ARG A 8 -0.920 -19.213 -11.468 1.00 0.00 O ATOM 120 CB ARG A 8 1.795 -19.976 -9.827 1.00 0.00 C ATOM 121 CG ARG A 8 2.263 -21.434 -9.761 1.00 0.00 C ATOM 122 CD ARG A 8 2.717 -21.814 -8.334 1.00 0.00 C ATOM 123 NE ARG A 8 1.889 -21.215 -7.272 1.00 0.00 N ATOM 124 CZ ARG A 8 1.595 -21.723 -6.075 1.00 0.00 C ATOM 125 NH1 ARG A 8 2.101 -22.873 -5.643 1.00 0.00 N ATOM 126 NH2 ARG A 8 0.762 -21.062 -5.294 1.00 0.00 N ATOM 0 H ARG A 8 1.518 -17.717 -9.847 1.00 0.00 H new ATOM 0 HA ARG A 8 2.202 -19.500 -11.942 1.00 0.00 H new ATOM 0 HB2 ARG A 8 2.569 -19.372 -9.353 1.00 0.00 H new ATOM 0 HB3 ARG A 8 0.904 -19.900 -9.204 1.00 0.00 H new ATOM 0 HG2 ARG A 8 1.453 -22.093 -10.075 1.00 0.00 H new ATOM 0 HG3 ARG A 8 3.086 -21.586 -10.459 1.00 0.00 H new ATOM 0 HD2 ARG A 8 2.695 -22.899 -8.232 1.00 0.00 H new ATOM 0 HD3 ARG A 8 3.752 -21.502 -8.196 1.00 0.00 H new ATOM 0 HE ARG A 8 1.492 -20.298 -7.478 1.00 0.00 H new ATOM 0 HH11 ARG A 8 2.741 -23.403 -6.235 1.00 0.00 H new ATOM 0 HH12 ARG A 8 1.850 -23.226 -4.720 1.00 0.00 H new ATOM 0 HH21 ARG A 8 0.357 -20.181 -5.610 1.00 0.00 H new ATOM 0 HH22 ARG A 8 0.523 -21.432 -4.374 1.00 0.00 H new ATOM 140 N VAL A 9 0.146 -21.033 -12.260 1.00 0.00 N ATOM 141 CA VAL A 9 -1.079 -21.753 -12.583 1.00 0.00 C ATOM 142 C VAL A 9 -1.904 -22.001 -11.304 1.00 0.00 C ATOM 143 O VAL A 9 -1.325 -22.219 -10.234 1.00 0.00 O ATOM 144 CB VAL A 9 -0.764 -23.054 -13.356 1.00 0.00 C ATOM 145 CG1 VAL A 9 -0.154 -22.733 -14.729 1.00 0.00 C ATOM 146 CG2 VAL A 9 0.174 -24.012 -12.599 1.00 0.00 C ATOM 0 H VAL A 9 1.002 -21.523 -12.520 1.00 0.00 H new ATOM 0 HA VAL A 9 -1.692 -21.142 -13.246 1.00 0.00 H new ATOM 0 HB VAL A 9 -1.720 -23.564 -13.473 1.00 0.00 H new ATOM 0 HG11 VAL A 9 0.061 -23.662 -15.258 1.00 0.00 H new ATOM 0 HG12 VAL A 9 -0.859 -22.139 -15.310 1.00 0.00 H new ATOM 0 HG13 VAL A 9 0.770 -22.170 -14.594 1.00 0.00 H new ATOM 0 HG21 VAL A 9 0.350 -24.902 -13.203 1.00 0.00 H new ATOM 0 HG22 VAL A 9 1.123 -23.513 -12.404 1.00 0.00 H new ATOM 0 HG23 VAL A 9 -0.286 -24.300 -11.654 1.00 0.00 H new ATOM 156 N PRO A 10 -3.246 -21.994 -11.389 1.00 0.00 N ATOM 157 CA PRO A 10 -4.105 -22.031 -10.211 1.00 0.00 C ATOM 158 C PRO A 10 -4.088 -23.392 -9.508 1.00 0.00 C ATOM 159 O PRO A 10 -4.369 -23.459 -8.312 1.00 0.00 O ATOM 160 CB PRO A 10 -5.499 -21.655 -10.723 1.00 0.00 C ATOM 161 CG PRO A 10 -5.488 -22.133 -12.171 1.00 0.00 C ATOM 162 CD PRO A 10 -4.051 -21.844 -12.596 1.00 0.00 C ATOM 0 HA PRO A 10 -3.757 -21.338 -9.445 1.00 0.00 H new ATOM 0 HB2 PRO A 10 -6.284 -22.143 -10.145 1.00 0.00 H new ATOM 0 HB3 PRO A 10 -5.675 -20.581 -10.656 1.00 0.00 H new ATOM 0 HG2 PRO A 10 -5.731 -23.193 -12.252 1.00 0.00 H new ATOM 0 HG3 PRO A 10 -6.210 -21.593 -12.783 1.00 0.00 H new ATOM 0 HD2 PRO A 10 -3.725 -22.536 -13.373 1.00 0.00 H new ATOM 0 HD3 PRO A 10 -3.958 -20.838 -13.006 1.00 0.00 H new ATOM 170 N GLU A 11 -3.739 -24.473 -10.212 1.00 0.00 N ATOM 171 CA GLU A 11 -3.719 -25.828 -9.661 1.00 0.00 C ATOM 172 C GLU A 11 -2.700 -25.958 -8.520 1.00 0.00 C ATOM 173 O GLU A 11 -2.918 -26.723 -7.579 1.00 0.00 O ATOM 174 CB GLU A 11 -3.427 -26.814 -10.805 1.00 0.00 C ATOM 175 CG GLU A 11 -3.557 -28.284 -10.379 1.00 0.00 C ATOM 176 CD GLU A 11 -3.395 -29.235 -11.578 1.00 0.00 C ATOM 177 OE1 GLU A 11 -2.251 -29.629 -11.900 1.00 0.00 O ATOM 178 OE2 GLU A 11 -4.412 -29.617 -12.202 1.00 0.00 O ATOM 0 H GLU A 11 -3.459 -24.429 -11.192 1.00 0.00 H new ATOM 0 HA GLU A 11 -4.691 -26.060 -9.225 1.00 0.00 H new ATOM 0 HB2 GLU A 11 -4.113 -26.619 -11.629 1.00 0.00 H new ATOM 0 HB3 GLU A 11 -2.419 -26.638 -11.180 1.00 0.00 H new ATOM 0 HG2 GLU A 11 -2.803 -28.514 -9.626 1.00 0.00 H new ATOM 0 HG3 GLU A 11 -4.530 -28.445 -9.915 1.00 0.00 H new ATOM 185 N GLN A 12 -1.595 -25.208 -8.569 1.00 0.00 N ATOM 186 CA GLN A 12 -0.558 -25.282 -7.542 1.00 0.00 C ATOM 187 C GLN A 12 -0.920 -24.433 -6.318 1.00 0.00 C ATOM 188 O GLN A 12 -0.541 -24.780 -5.199 1.00 0.00 O ATOM 189 CB GLN A 12 0.794 -24.876 -8.131 1.00 0.00 C ATOM 190 CG GLN A 12 1.312 -25.872 -9.183 1.00 0.00 C ATOM 191 CD GLN A 12 2.710 -25.504 -9.687 1.00 0.00 C ATOM 192 OE1 GLN A 12 3.578 -25.089 -8.922 1.00 0.00 O ATOM 193 NE2 GLN A 12 2.966 -25.632 -10.978 1.00 0.00 N ATOM 0 H GLN A 12 -1.397 -24.540 -9.314 1.00 0.00 H new ATOM 0 HA GLN A 12 -0.485 -26.314 -7.199 1.00 0.00 H new ATOM 0 HB2 GLN A 12 0.705 -23.889 -8.585 1.00 0.00 H new ATOM 0 HB3 GLN A 12 1.525 -24.792 -7.327 1.00 0.00 H new ATOM 0 HG2 GLN A 12 1.334 -26.873 -8.753 1.00 0.00 H new ATOM 0 HG3 GLN A 12 0.620 -25.902 -10.025 1.00 0.00 H new ATOM 0 HE21 GLN A 12 2.243 -25.977 -11.610 1.00 0.00 H new ATOM 0 HE22 GLN A 12 3.886 -25.386 -11.342 1.00 0.00 H new ATOM 202 N TYR A 13 -1.709 -23.365 -6.488 1.00 0.00 N ATOM 203 CA TYR A 13 -2.282 -22.625 -5.361 1.00 0.00 C ATOM 204 C TYR A 13 -3.128 -23.543 -4.473 1.00 0.00 C ATOM 205 O TYR A 13 -3.128 -23.370 -3.255 1.00 0.00 O ATOM 206 CB TYR A 13 -3.095 -21.427 -5.871 1.00 0.00 C ATOM 207 CG TYR A 13 -3.650 -20.507 -4.794 1.00 0.00 C ATOM 208 CD1 TYR A 13 -4.926 -20.750 -4.248 1.00 0.00 C ATOM 209 CD2 TYR A 13 -2.928 -19.367 -4.389 1.00 0.00 C ATOM 210 CE1 TYR A 13 -5.485 -19.855 -3.318 1.00 0.00 C ATOM 211 CE2 TYR A 13 -3.486 -18.457 -3.474 1.00 0.00 C ATOM 212 CZ TYR A 13 -4.769 -18.698 -2.932 1.00 0.00 C ATOM 213 OH TYR A 13 -5.310 -17.804 -2.057 1.00 0.00 O ATOM 0 H TYR A 13 -1.965 -22.993 -7.403 1.00 0.00 H new ATOM 0 HA TYR A 13 -1.467 -22.243 -4.746 1.00 0.00 H new ATOM 0 HB2 TYR A 13 -2.464 -20.839 -6.537 1.00 0.00 H new ATOM 0 HB3 TYR A 13 -3.926 -21.802 -6.468 1.00 0.00 H new ATOM 0 HD1 TYR A 13 -5.478 -21.629 -4.545 1.00 0.00 H new ATOM 0 HD2 TYR A 13 -1.939 -19.191 -4.784 1.00 0.00 H new ATOM 0 HE1 TYR A 13 -6.461 -20.051 -2.899 1.00 0.00 H new ATOM 0 HE2 TYR A 13 -2.935 -17.574 -3.185 1.00 0.00 H new ATOM 0 HH TYR A 13 -4.677 -17.071 -1.905 1.00 0.00 H new ATOM 223 N GLN A 14 -3.780 -24.564 -5.049 1.00 0.00 N ATOM 224 CA GLN A 14 -4.562 -25.548 -4.296 1.00 0.00 C ATOM 225 C GLN A 14 -3.680 -26.506 -3.471 1.00 0.00 C ATOM 226 O GLN A 14 -4.204 -27.462 -2.898 1.00 0.00 O ATOM 227 CB GLN A 14 -5.472 -26.376 -5.230 1.00 0.00 C ATOM 228 CG GLN A 14 -6.186 -25.618 -6.357 1.00 0.00 C ATOM 229 CD GLN A 14 -6.913 -24.349 -5.907 1.00 0.00 C ATOM 230 OE1 GLN A 14 -7.765 -24.374 -5.022 1.00 0.00 O ATOM 231 NE2 GLN A 14 -6.597 -23.214 -6.512 1.00 0.00 N ATOM 0 H GLN A 14 -3.778 -24.728 -6.056 1.00 0.00 H new ATOM 0 HA GLN A 14 -5.175 -24.971 -3.604 1.00 0.00 H new ATOM 0 HB2 GLN A 14 -4.868 -27.163 -5.681 1.00 0.00 H new ATOM 0 HB3 GLN A 14 -6.229 -26.866 -4.618 1.00 0.00 H new ATOM 0 HG2 GLN A 14 -5.454 -25.351 -7.119 1.00 0.00 H new ATOM 0 HG3 GLN A 14 -6.907 -26.287 -6.828 1.00 0.00 H new ATOM 0 HE21 GLN A 14 -5.888 -23.207 -7.245 1.00 0.00 H new ATOM 0 HE22 GLN A 14 -7.063 -22.347 -6.245 1.00 0.00 H new ATOM 240 N GLN A 15 -2.354 -26.316 -3.452 1.00 0.00 N ATOM 241 CA GLN A 15 -1.396 -27.232 -2.844 1.00 0.00 C ATOM 242 C GLN A 15 -0.531 -26.469 -1.844 1.00 0.00 C ATOM 243 O GLN A 15 -0.399 -26.914 -0.704 1.00 0.00 O ATOM 244 CB GLN A 15 -0.572 -27.938 -3.937 1.00 0.00 C ATOM 245 CG GLN A 15 -1.453 -28.782 -4.878 1.00 0.00 C ATOM 246 CD GLN A 15 -0.674 -29.326 -6.075 1.00 0.00 C ATOM 247 OE1 GLN A 15 0.265 -30.106 -5.933 1.00 0.00 O ATOM 248 NE2 GLN A 15 -1.048 -28.930 -7.283 1.00 0.00 N ATOM 0 H GLN A 15 -1.912 -25.498 -3.872 1.00 0.00 H new ATOM 0 HA GLN A 15 -1.916 -28.015 -2.292 1.00 0.00 H new ATOM 0 HB2 GLN A 15 -0.031 -27.193 -4.520 1.00 0.00 H new ATOM 0 HB3 GLN A 15 0.175 -28.579 -3.469 1.00 0.00 H new ATOM 0 HG2 GLN A 15 -1.883 -29.614 -4.320 1.00 0.00 H new ATOM 0 HG3 GLN A 15 -2.284 -28.174 -5.235 1.00 0.00 H new ATOM 0 HE21 GLN A 15 -1.829 -28.282 -7.388 1.00 0.00 H new ATOM 0 HE22 GLN A 15 -0.555 -29.273 -8.107 1.00 0.00 H new ATOM 257 N GLU A 16 -0.025 -25.290 -2.213 1.00 0.00 N ATOM 258 CA GLU A 16 0.613 -24.361 -1.282 1.00 0.00 C ATOM 259 C GLU A 16 0.561 -22.952 -1.869 1.00 0.00 C ATOM 260 O GLU A 16 0.665 -22.783 -3.088 1.00 0.00 O ATOM 261 CB GLU A 16 2.067 -24.785 -0.999 1.00 0.00 C ATOM 262 CG GLU A 16 2.691 -24.012 0.171 1.00 0.00 C ATOM 263 CD GLU A 16 4.083 -24.560 0.515 1.00 0.00 C ATOM 264 OE1 GLU A 16 5.087 -24.105 -0.076 1.00 0.00 O ATOM 265 OE2 GLU A 16 4.171 -25.450 1.390 1.00 0.00 O ATOM 0 H GLU A 16 -0.048 -24.952 -3.175 1.00 0.00 H new ATOM 0 HA GLU A 16 0.077 -24.374 -0.333 1.00 0.00 H new ATOM 0 HB2 GLU A 16 2.094 -25.852 -0.780 1.00 0.00 H new ATOM 0 HB3 GLU A 16 2.668 -24.628 -1.895 1.00 0.00 H new ATOM 0 HG2 GLU A 16 2.766 -22.955 -0.086 1.00 0.00 H new ATOM 0 HG3 GLU A 16 2.043 -24.083 1.045 1.00 0.00 H new ATOM 272 N HIS A 17 0.444 -21.937 -1.015 1.00 0.00 N ATOM 273 CA HIS A 17 0.544 -20.530 -1.379 1.00 0.00 C ATOM 274 C HIS A 17 1.012 -19.717 -0.169 1.00 0.00 C ATOM 275 O HIS A 17 0.904 -20.173 0.972 1.00 0.00 O ATOM 276 CB HIS A 17 -0.809 -20.037 -1.919 1.00 0.00 C ATOM 277 CG HIS A 17 -2.022 -20.345 -1.068 1.00 0.00 C ATOM 278 ND1 HIS A 17 -2.847 -21.443 -1.188 1.00 0.00 N ATOM 279 CD2 HIS A 17 -2.589 -19.526 -0.128 1.00 0.00 C ATOM 280 CE1 HIS A 17 -3.873 -21.291 -0.337 1.00 0.00 C ATOM 281 NE2 HIS A 17 -3.764 -20.132 0.337 1.00 0.00 N ATOM 0 H HIS A 17 0.272 -22.079 -0.020 1.00 0.00 H new ATOM 0 HA HIS A 17 1.282 -20.399 -2.170 1.00 0.00 H new ATOM 0 HB2 HIS A 17 -0.751 -18.957 -2.054 1.00 0.00 H new ATOM 0 HB3 HIS A 17 -0.963 -20.474 -2.906 1.00 0.00 H new ATOM 0 HD1 HIS A 17 -2.702 -22.234 -1.815 1.00 0.00 H new ATOM 0 HD2 HIS A 17 -2.197 -18.574 0.199 1.00 0.00 H new ATOM 0 HE1 HIS A 17 -4.676 -22.002 -0.210 1.00 0.00 H new ATOM 289 N VAL A 18 1.541 -18.515 -0.412 1.00 0.00 N ATOM 290 CA VAL A 18 1.851 -17.542 0.632 1.00 0.00 C ATOM 291 C VAL A 18 0.537 -17.145 1.313 1.00 0.00 C ATOM 292 O VAL A 18 -0.473 -16.908 0.643 1.00 0.00 O ATOM 293 CB VAL A 18 2.586 -16.320 0.029 1.00 0.00 C ATOM 294 CG1 VAL A 18 2.841 -15.222 1.070 1.00 0.00 C ATOM 295 CG2 VAL A 18 3.938 -16.728 -0.572 1.00 0.00 C ATOM 0 H VAL A 18 1.768 -18.189 -1.351 1.00 0.00 H new ATOM 0 HA VAL A 18 2.522 -17.973 1.376 1.00 0.00 H new ATOM 0 HB VAL A 18 1.928 -15.930 -0.748 1.00 0.00 H new ATOM 0 HG11 VAL A 18 3.359 -14.387 0.598 1.00 0.00 H new ATOM 0 HG12 VAL A 18 1.890 -14.877 1.476 1.00 0.00 H new ATOM 0 HG13 VAL A 18 3.456 -15.621 1.877 1.00 0.00 H new ATOM 0 HG21 VAL A 18 4.431 -15.849 -0.988 1.00 0.00 H new ATOM 0 HG22 VAL A 18 4.566 -17.162 0.206 1.00 0.00 H new ATOM 0 HG23 VAL A 18 3.778 -17.462 -1.362 1.00 0.00 H new ATOM 305 N GLN A 19 0.555 -17.057 2.644 1.00 0.00 N ATOM 306 CA GLN A 19 -0.589 -16.635 3.440 1.00 0.00 C ATOM 307 C GLN A 19 -1.085 -15.261 2.963 1.00 0.00 C ATOM 308 O GLN A 19 -0.308 -14.306 2.890 1.00 0.00 O ATOM 309 CB GLN A 19 -0.170 -16.632 4.921 1.00 0.00 C ATOM 310 CG GLN A 19 -1.335 -16.355 5.882 1.00 0.00 C ATOM 311 CD GLN A 19 -0.879 -16.451 7.339 1.00 0.00 C ATOM 312 OE1 GLN A 19 -1.052 -17.473 7.998 1.00 0.00 O ATOM 313 NE2 GLN A 19 -0.275 -15.401 7.875 1.00 0.00 N ATOM 0 H GLN A 19 1.378 -17.281 3.203 1.00 0.00 H new ATOM 0 HA GLN A 19 -1.425 -17.324 3.320 1.00 0.00 H new ATOM 0 HB2 GLN A 19 0.274 -17.597 5.168 1.00 0.00 H new ATOM 0 HB3 GLN A 19 0.603 -15.878 5.071 1.00 0.00 H new ATOM 0 HG2 GLN A 19 -1.742 -15.362 5.689 1.00 0.00 H new ATOM 0 HG3 GLN A 19 -2.138 -17.069 5.701 1.00 0.00 H new ATOM 0 HE21 GLN A 19 -0.135 -14.556 7.322 1.00 0.00 H new ATOM 0 HE22 GLN A 19 0.050 -15.438 8.841 1.00 0.00 H new ATOM 322 N GLY A 20 -2.382 -15.160 2.656 1.00 0.00 N ATOM 323 CA GLY A 20 -3.042 -13.904 2.306 1.00 0.00 C ATOM 324 C GLY A 20 -2.827 -13.460 0.854 1.00 0.00 C ATOM 325 O GLY A 20 -3.259 -12.361 0.496 1.00 0.00 O ATOM 0 H GLY A 20 -3.011 -15.963 2.644 1.00 0.00 H new ATOM 0 HA2 GLY A 20 -4.112 -14.007 2.487 1.00 0.00 H new ATOM 0 HA3 GLY A 20 -2.680 -13.120 2.971 1.00 0.00 H new ATOM 329 N ALA A 21 -2.167 -14.270 0.017 1.00 0.00 N ATOM 330 CA ALA A 21 -2.002 -13.988 -1.407 1.00 0.00 C ATOM 331 C ALA A 21 -3.328 -14.131 -2.180 1.00 0.00 C ATOM 332 O ALA A 21 -4.345 -14.561 -1.628 1.00 0.00 O ATOM 333 CB ALA A 21 -0.941 -14.940 -1.975 1.00 0.00 C ATOM 0 H ALA A 21 -1.732 -15.143 0.314 1.00 0.00 H new ATOM 0 HA ALA A 21 -1.680 -12.953 -1.525 1.00 0.00 H new ATOM 0 HB1 ALA A 21 -0.806 -14.742 -3.038 1.00 0.00 H new ATOM 0 HB2 ALA A 21 0.004 -14.784 -1.454 1.00 0.00 H new ATOM 0 HB3 ALA A 21 -1.266 -15.971 -1.836 1.00 0.00 H new ATOM 339 N ILE A 22 -3.288 -13.833 -3.481 1.00 0.00 N ATOM 340 CA ILE A 22 -4.349 -14.108 -4.451 1.00 0.00 C ATOM 341 C ILE A 22 -3.692 -14.891 -5.580 1.00 0.00 C ATOM 342 O ILE A 22 -2.615 -14.494 -6.025 1.00 0.00 O ATOM 343 CB ILE A 22 -4.983 -12.822 -5.067 1.00 0.00 C ATOM 344 CG1 ILE A 22 -4.614 -11.500 -4.353 1.00 0.00 C ATOM 345 CG2 ILE A 22 -6.501 -13.023 -5.203 1.00 0.00 C ATOM 346 CD1 ILE A 22 -5.251 -10.239 -4.951 1.00 0.00 C ATOM 0 H ILE A 22 -2.481 -13.374 -3.904 1.00 0.00 H new ATOM 0 HA ILE A 22 -5.153 -14.642 -3.944 1.00 0.00 H new ATOM 0 HB ILE A 22 -4.542 -12.693 -6.055 1.00 0.00 H new ATOM 0 HG12 ILE A 22 -4.908 -11.576 -3.306 1.00 0.00 H new ATOM 0 HG13 ILE A 22 -3.530 -11.385 -4.372 1.00 0.00 H new ATOM 0 HG21 ILE A 22 -6.950 -12.127 -5.633 1.00 0.00 H new ATOM 0 HG22 ILE A 22 -6.698 -13.876 -5.853 1.00 0.00 H new ATOM 0 HG23 ILE A 22 -6.933 -13.209 -4.220 1.00 0.00 H new ATOM 0 HD11 ILE A 22 -4.932 -9.366 -4.382 1.00 0.00 H new ATOM 0 HD12 ILE A 22 -4.937 -10.130 -5.989 1.00 0.00 H new ATOM 0 HD13 ILE A 22 -6.337 -10.324 -4.907 1.00 0.00 H new ATOM 358 N ASN A 23 -4.319 -15.959 -6.075 1.00 0.00 N ATOM 359 CA ASN A 23 -3.878 -16.540 -7.339 1.00 0.00 C ATOM 360 C ASN A 23 -4.632 -15.821 -8.434 1.00 0.00 C ATOM 361 O ASN A 23 -5.864 -15.757 -8.413 1.00 0.00 O ATOM 362 CB ASN A 23 -4.091 -18.049 -7.460 1.00 0.00 C ATOM 363 CG ASN A 23 -3.592 -18.520 -8.827 1.00 0.00 C ATOM 364 OD1 ASN A 23 -4.315 -18.454 -9.814 1.00 0.00 O ATOM 365 ND2 ASN A 23 -2.353 -18.967 -8.931 1.00 0.00 N ATOM 0 H ASN A 23 -5.111 -16.427 -5.634 1.00 0.00 H new ATOM 0 HA ASN A 23 -2.798 -16.410 -7.411 1.00 0.00 H new ATOM 0 HB2 ASN A 23 -3.556 -18.569 -6.665 1.00 0.00 H new ATOM 0 HB3 ASN A 23 -5.148 -18.290 -7.343 1.00 0.00 H new ATOM 0 HD21 ASN A 23 -1.991 -19.261 -9.838 1.00 0.00 H new ATOM 0 HD22 ASN A 23 -1.758 -19.018 -8.104 1.00 0.00 H new ATOM 372 N ILE A 24 -3.879 -15.295 -9.387 1.00 0.00 N ATOM 373 CA ILE A 24 -4.399 -14.778 -10.632 1.00 0.00 C ATOM 374 C ILE A 24 -3.336 -15.261 -11.620 1.00 0.00 C ATOM 375 O ILE A 24 -2.188 -14.841 -11.480 1.00 0.00 O ATOM 376 CB ILE A 24 -4.555 -13.234 -10.611 1.00 0.00 C ATOM 377 CG1 ILE A 24 -5.187 -12.643 -9.330 1.00 0.00 C ATOM 378 CG2 ILE A 24 -5.331 -12.834 -11.869 1.00 0.00 C ATOM 379 CD1 ILE A 24 -5.254 -11.107 -9.294 1.00 0.00 C ATOM 0 H ILE A 24 -2.865 -15.216 -9.309 1.00 0.00 H new ATOM 0 HA ILE A 24 -5.406 -15.117 -10.874 1.00 0.00 H new ATOM 0 HB ILE A 24 -3.554 -12.803 -10.603 1.00 0.00 H new ATOM 0 HG12 ILE A 24 -6.197 -13.039 -9.224 1.00 0.00 H new ATOM 0 HG13 ILE A 24 -4.617 -12.988 -8.468 1.00 0.00 H new ATOM 0 HG21 ILE A 24 -5.460 -11.752 -11.888 1.00 0.00 H new ATOM 0 HG22 ILE A 24 -4.777 -13.149 -12.754 1.00 0.00 H new ATOM 0 HG23 ILE A 24 -6.309 -13.316 -11.862 1.00 0.00 H new ATOM 0 HD11 ILE A 24 -5.712 -10.785 -8.359 1.00 0.00 H new ATOM 0 HD12 ILE A 24 -4.247 -10.697 -9.365 1.00 0.00 H new ATOM 0 HD13 ILE A 24 -5.851 -10.749 -10.133 1.00 0.00 H new ATOM 391 N PRO A 25 -3.633 -16.176 -12.556 1.00 0.00 N ATOM 392 CA PRO A 25 -2.607 -16.694 -13.447 1.00 0.00 C ATOM 393 C PRO A 25 -2.123 -15.556 -14.352 1.00 0.00 C ATOM 394 O PRO A 25 -2.891 -14.641 -14.661 1.00 0.00 O ATOM 395 CB PRO A 25 -3.272 -17.856 -14.187 1.00 0.00 C ATOM 396 CG PRO A 25 -4.754 -17.481 -14.196 1.00 0.00 C ATOM 397 CD PRO A 25 -4.936 -16.739 -12.870 1.00 0.00 C ATOM 0 HA PRO A 25 -1.712 -17.062 -12.946 1.00 0.00 H new ATOM 0 HB2 PRO A 25 -2.880 -17.963 -15.198 1.00 0.00 H new ATOM 0 HB3 PRO A 25 -3.102 -18.804 -13.677 1.00 0.00 H new ATOM 0 HG2 PRO A 25 -5.004 -16.849 -15.048 1.00 0.00 H new ATOM 0 HG3 PRO A 25 -5.392 -18.363 -14.255 1.00 0.00 H new ATOM 0 HD2 PRO A 25 -5.690 -15.957 -12.959 1.00 0.00 H new ATOM 0 HD3 PRO A 25 -5.270 -17.416 -12.084 1.00 0.00 H new ATOM 405 N LEU A 26 -0.860 -15.592 -14.784 1.00 0.00 N ATOM 406 CA LEU A 26 -0.217 -14.458 -15.459 1.00 0.00 C ATOM 407 C LEU A 26 -1.011 -13.930 -16.664 1.00 0.00 C ATOM 408 O LEU A 26 -1.112 -12.716 -16.853 1.00 0.00 O ATOM 409 CB LEU A 26 1.224 -14.841 -15.842 1.00 0.00 C ATOM 410 CG LEU A 26 2.050 -13.705 -16.483 1.00 0.00 C ATOM 411 CD1 LEU A 26 2.002 -12.398 -15.682 1.00 0.00 C ATOM 412 CD2 LEU A 26 3.513 -14.155 -16.595 1.00 0.00 C ATOM 0 H LEU A 26 -0.254 -16.405 -14.677 1.00 0.00 H new ATOM 0 HA LEU A 26 -0.194 -13.626 -14.755 1.00 0.00 H new ATOM 0 HB2 LEU A 26 1.742 -15.187 -14.948 1.00 0.00 H new ATOM 0 HB3 LEU A 26 1.189 -15.681 -16.536 1.00 0.00 H new ATOM 0 HG LEU A 26 1.612 -13.505 -17.461 1.00 0.00 H new ATOM 0 HD11 LEU A 26 2.602 -11.640 -16.186 1.00 0.00 H new ATOM 0 HD12 LEU A 26 0.970 -12.054 -15.609 1.00 0.00 H new ATOM 0 HD13 LEU A 26 2.399 -12.570 -14.682 1.00 0.00 H new ATOM 0 HD21 LEU A 26 4.105 -13.359 -17.047 1.00 0.00 H new ATOM 0 HD22 LEU A 26 3.902 -14.377 -15.601 1.00 0.00 H new ATOM 0 HD23 LEU A 26 3.572 -15.049 -17.216 1.00 0.00 H new ATOM 424 N LYS A 27 -1.626 -14.817 -17.454 1.00 0.00 N ATOM 425 CA LYS A 27 -2.443 -14.407 -18.595 1.00 0.00 C ATOM 426 C LYS A 27 -3.657 -13.568 -18.180 1.00 0.00 C ATOM 427 O LYS A 27 -4.082 -12.713 -18.956 1.00 0.00 O ATOM 428 CB LYS A 27 -2.842 -15.612 -19.467 1.00 0.00 C ATOM 429 CG LYS A 27 -3.757 -16.646 -18.785 1.00 0.00 C ATOM 430 CD LYS A 27 -4.173 -17.729 -19.795 1.00 0.00 C ATOM 431 CE LYS A 27 -5.146 -18.763 -19.207 1.00 0.00 C ATOM 432 NZ LYS A 27 -4.491 -19.729 -18.288 1.00 0.00 N ATOM 0 H LYS A 27 -1.571 -15.827 -17.321 1.00 0.00 H new ATOM 0 HA LYS A 27 -1.821 -13.755 -19.208 1.00 0.00 H new ATOM 0 HB2 LYS A 27 -3.344 -15.242 -20.361 1.00 0.00 H new ATOM 0 HB3 LYS A 27 -1.934 -16.117 -19.797 1.00 0.00 H new ATOM 0 HG2 LYS A 27 -3.238 -17.103 -17.943 1.00 0.00 H new ATOM 0 HG3 LYS A 27 -4.642 -16.152 -18.384 1.00 0.00 H new ATOM 0 HD2 LYS A 27 -4.637 -17.252 -20.658 1.00 0.00 H new ATOM 0 HD3 LYS A 27 -3.282 -18.242 -20.155 1.00 0.00 H new ATOM 0 HE2 LYS A 27 -5.939 -18.242 -18.670 1.00 0.00 H new ATOM 0 HE3 LYS A 27 -5.619 -19.311 -20.022 1.00 0.00 H new ATOM 0 HZ1 LYS A 27 -5.200 -20.399 -17.926 1.00 0.00 H new ATOM 0 HZ2 LYS A 27 -3.752 -20.251 -18.802 1.00 0.00 H new ATOM 0 HZ3 LYS A 27 -4.062 -19.215 -17.492 1.00 0.00 H new ATOM 446 N GLU A 28 -4.209 -13.781 -16.980 1.00 0.00 N ATOM 447 CA GLU A 28 -5.234 -12.906 -16.425 1.00 0.00 C ATOM 448 C GLU A 28 -4.593 -11.634 -15.894 1.00 0.00 C ATOM 449 O GLU A 28 -5.097 -10.559 -16.193 1.00 0.00 O ATOM 450 CB GLU A 28 -6.035 -13.593 -15.305 1.00 0.00 C ATOM 451 CG GLU A 28 -7.371 -14.133 -15.824 1.00 0.00 C ATOM 452 CD GLU A 28 -8.156 -14.868 -14.725 1.00 0.00 C ATOM 453 OE1 GLU A 28 -8.513 -14.232 -13.707 1.00 0.00 O ATOM 454 OE2 GLU A 28 -8.448 -16.075 -14.889 1.00 0.00 O ATOM 0 H GLU A 28 -3.956 -14.561 -16.374 1.00 0.00 H new ATOM 0 HA GLU A 28 -5.931 -12.664 -17.228 1.00 0.00 H new ATOM 0 HB2 GLU A 28 -5.449 -14.410 -14.885 1.00 0.00 H new ATOM 0 HB3 GLU A 28 -6.217 -12.884 -14.498 1.00 0.00 H new ATOM 0 HG2 GLU A 28 -7.971 -13.309 -16.210 1.00 0.00 H new ATOM 0 HG3 GLU A 28 -7.190 -14.812 -16.657 1.00 0.00 H new ATOM 461 N VAL A 29 -3.499 -11.733 -15.132 1.00 0.00 N ATOM 462 CA VAL A 29 -2.878 -10.604 -14.422 1.00 0.00 C ATOM 463 C VAL A 29 -2.678 -9.402 -15.340 1.00 0.00 C ATOM 464 O VAL A 29 -2.986 -8.284 -14.932 1.00 0.00 O ATOM 465 CB VAL A 29 -1.556 -11.057 -13.763 1.00 0.00 C ATOM 466 CG1 VAL A 29 -0.654 -9.931 -13.236 1.00 0.00 C ATOM 467 CG2 VAL A 29 -1.884 -11.958 -12.576 1.00 0.00 C ATOM 0 H VAL A 29 -3.009 -12.616 -14.987 1.00 0.00 H new ATOM 0 HA VAL A 29 -3.555 -10.277 -13.633 1.00 0.00 H new ATOM 0 HB VAL A 29 -1.002 -11.556 -14.558 1.00 0.00 H new ATOM 0 HG11 VAL A 29 0.245 -10.361 -12.794 1.00 0.00 H new ATOM 0 HG12 VAL A 29 -0.375 -9.273 -14.059 1.00 0.00 H new ATOM 0 HG13 VAL A 29 -1.191 -9.358 -12.480 1.00 0.00 H new ATOM 0 HG21 VAL A 29 -0.959 -12.285 -12.101 1.00 0.00 H new ATOM 0 HG22 VAL A 29 -2.486 -11.405 -11.855 1.00 0.00 H new ATOM 0 HG23 VAL A 29 -2.441 -12.828 -12.923 1.00 0.00 H new ATOM 477 N LYS A 30 -2.238 -9.622 -16.581 1.00 0.00 N ATOM 478 CA LYS A 30 -1.955 -8.554 -17.538 1.00 0.00 C ATOM 479 C LYS A 30 -3.172 -7.680 -17.877 1.00 0.00 C ATOM 480 O LYS A 30 -2.999 -6.600 -18.440 1.00 0.00 O ATOM 481 CB LYS A 30 -1.312 -9.198 -18.780 1.00 0.00 C ATOM 482 CG LYS A 30 -0.541 -8.192 -19.646 1.00 0.00 C ATOM 483 CD LYS A 30 0.123 -8.893 -20.840 1.00 0.00 C ATOM 484 CE LYS A 30 0.926 -7.923 -21.722 1.00 0.00 C ATOM 485 NZ LYS A 30 0.068 -6.960 -22.461 1.00 0.00 N ATOM 0 H LYS A 30 -2.067 -10.557 -16.952 1.00 0.00 H new ATOM 0 HA LYS A 30 -1.262 -7.846 -17.083 1.00 0.00 H new ATOM 0 HB2 LYS A 30 -0.634 -9.990 -18.462 1.00 0.00 H new ATOM 0 HB3 LYS A 30 -2.090 -9.667 -19.383 1.00 0.00 H new ATOM 0 HG2 LYS A 30 -1.221 -7.419 -20.005 1.00 0.00 H new ATOM 0 HG3 LYS A 30 0.218 -7.694 -19.043 1.00 0.00 H new ATOM 0 HD2 LYS A 30 0.785 -9.678 -20.474 1.00 0.00 H new ATOM 0 HD3 LYS A 30 -0.644 -9.378 -21.444 1.00 0.00 H new ATOM 0 HE2 LYS A 30 1.628 -7.370 -21.098 1.00 0.00 H new ATOM 0 HE3 LYS A 30 1.517 -8.496 -22.436 1.00 0.00 H new ATOM 0 HZ1 LYS A 30 0.666 -6.334 -23.037 1.00 0.00 H new ATOM 0 HZ2 LYS A 30 -0.585 -7.481 -23.080 1.00 0.00 H new ATOM 0 HZ3 LYS A 30 -0.478 -6.390 -21.783 1.00 0.00 H new ATOM 499 N GLU A 31 -4.389 -8.087 -17.514 1.00 0.00 N ATOM 500 CA GLU A 31 -5.574 -7.236 -17.588 1.00 0.00 C ATOM 501 C GLU A 31 -6.217 -7.102 -16.206 1.00 0.00 C ATOM 502 O GLU A 31 -6.612 -6.011 -15.801 1.00 0.00 O ATOM 503 CB GLU A 31 -6.573 -7.800 -18.612 1.00 0.00 C ATOM 504 CG GLU A 31 -6.036 -7.754 -20.050 1.00 0.00 C ATOM 505 CD GLU A 31 -7.097 -8.218 -21.064 1.00 0.00 C ATOM 506 OE1 GLU A 31 -7.871 -7.375 -21.573 1.00 0.00 O ATOM 507 OE2 GLU A 31 -7.160 -9.428 -21.381 1.00 0.00 O ATOM 0 H GLU A 31 -4.580 -9.024 -17.158 1.00 0.00 H new ATOM 0 HA GLU A 31 -5.276 -6.242 -17.920 1.00 0.00 H new ATOM 0 HB2 GLU A 31 -6.812 -8.831 -18.351 1.00 0.00 H new ATOM 0 HB3 GLU A 31 -7.502 -7.233 -18.557 1.00 0.00 H new ATOM 0 HG2 GLU A 31 -5.722 -6.738 -20.290 1.00 0.00 H new ATOM 0 HG3 GLU A 31 -5.153 -8.388 -20.130 1.00 0.00 H new ATOM 514 N ARG A 32 -6.297 -8.199 -15.452 1.00 0.00 N ATOM 515 CA ARG A 32 -7.024 -8.270 -14.192 1.00 0.00 C ATOM 516 C ARG A 32 -6.374 -7.443 -13.092 1.00 0.00 C ATOM 517 O ARG A 32 -7.106 -6.922 -12.248 1.00 0.00 O ATOM 518 CB ARG A 32 -7.223 -9.740 -13.781 1.00 0.00 C ATOM 519 CG ARG A 32 -8.066 -9.855 -12.501 1.00 0.00 C ATOM 520 CD ARG A 32 -8.621 -11.272 -12.322 1.00 0.00 C ATOM 521 NE ARG A 32 -9.057 -11.510 -10.934 1.00 0.00 N ATOM 522 CZ ARG A 32 -9.195 -12.708 -10.349 1.00 0.00 C ATOM 523 NH1 ARG A 32 -9.007 -13.835 -11.030 1.00 0.00 N ATOM 524 NH2 ARG A 32 -9.523 -12.772 -9.062 1.00 0.00 N ATOM 0 H ARG A 32 -5.848 -9.078 -15.708 1.00 0.00 H new ATOM 0 HA ARG A 32 -8.006 -7.823 -14.346 1.00 0.00 H new ATOM 0 HB2 ARG A 32 -7.712 -10.283 -14.590 1.00 0.00 H new ATOM 0 HB3 ARG A 32 -6.252 -10.210 -13.623 1.00 0.00 H new ATOM 0 HG2 ARG A 32 -7.457 -9.590 -11.637 1.00 0.00 H new ATOM 0 HG3 ARG A 32 -8.890 -9.142 -12.541 1.00 0.00 H new ATOM 0 HD2 ARG A 32 -9.461 -11.423 -12.999 1.00 0.00 H new ATOM 0 HD3 ARG A 32 -7.857 -12.000 -12.595 1.00 0.00 H new ATOM 0 HE ARG A 32 -9.273 -10.689 -10.368 1.00 0.00 H new ATOM 0 HH11 ARG A 32 -8.753 -13.798 -12.017 1.00 0.00 H new ATOM 0 HH12 ARG A 32 -9.117 -14.736 -10.565 1.00 0.00 H new ATOM 0 HH21 ARG A 32 -9.667 -11.914 -8.529 1.00 0.00 H new ATOM 0 HH22 ARG A 32 -9.630 -13.679 -8.608 1.00 0.00 H new ATOM 538 N ILE A 33 -5.047 -7.271 -13.082 1.00 0.00 N ATOM 539 CA ILE A 33 -4.420 -6.469 -12.028 1.00 0.00 C ATOM 540 C ILE A 33 -4.976 -5.043 -12.072 1.00 0.00 C ATOM 541 O ILE A 33 -5.177 -4.447 -11.022 1.00 0.00 O ATOM 542 CB ILE A 33 -2.873 -6.494 -12.070 1.00 0.00 C ATOM 543 CG1 ILE A 33 -2.246 -6.023 -10.730 1.00 0.00 C ATOM 544 CG2 ILE A 33 -2.292 -5.653 -13.215 1.00 0.00 C ATOM 545 CD1 ILE A 33 -2.369 -7.083 -9.631 1.00 0.00 C ATOM 0 H ILE A 33 -4.404 -7.663 -13.770 1.00 0.00 H new ATOM 0 HA ILE A 33 -4.677 -6.923 -11.071 1.00 0.00 H new ATOM 0 HB ILE A 33 -2.612 -7.538 -12.244 1.00 0.00 H new ATOM 0 HG12 ILE A 33 -1.194 -5.785 -10.887 1.00 0.00 H new ATOM 0 HG13 ILE A 33 -2.736 -5.105 -10.404 1.00 0.00 H new ATOM 0 HG21 ILE A 33 -1.204 -5.710 -13.192 1.00 0.00 H new ATOM 0 HG22 ILE A 33 -2.656 -6.036 -14.169 1.00 0.00 H new ATOM 0 HG23 ILE A 33 -2.604 -4.615 -13.098 1.00 0.00 H new ATOM 0 HD11 ILE A 33 -1.917 -6.709 -8.713 1.00 0.00 H new ATOM 0 HD12 ILE A 33 -3.422 -7.303 -9.454 1.00 0.00 H new ATOM 0 HD13 ILE A 33 -1.856 -7.993 -9.944 1.00 0.00 H new ATOM 557 N ALA A 34 -5.315 -4.527 -13.260 1.00 0.00 N ATOM 558 CA ALA A 34 -5.888 -3.193 -13.391 1.00 0.00 C ATOM 559 C ALA A 34 -7.226 -3.027 -12.655 1.00 0.00 C ATOM 560 O ALA A 34 -7.605 -1.899 -12.342 1.00 0.00 O ATOM 561 CB ALA A 34 -6.058 -2.855 -14.874 1.00 0.00 C ATOM 0 H ALA A 34 -5.199 -5.021 -14.145 1.00 0.00 H new ATOM 0 HA ALA A 34 -5.192 -2.500 -12.918 1.00 0.00 H new ATOM 0 HB1 ALA A 34 -6.486 -1.858 -14.973 1.00 0.00 H new ATOM 0 HB2 ALA A 34 -5.086 -2.883 -15.367 1.00 0.00 H new ATOM 0 HB3 ALA A 34 -6.722 -3.583 -15.339 1.00 0.00 H new ATOM 567 N THR A 35 -7.935 -4.123 -12.370 1.00 0.00 N ATOM 568 CA THR A 35 -9.186 -4.108 -11.617 1.00 0.00 C ATOM 569 C THR A 35 -8.922 -4.479 -10.150 1.00 0.00 C ATOM 570 O THR A 35 -9.559 -3.928 -9.250 1.00 0.00 O ATOM 571 CB THR A 35 -10.182 -5.068 -12.300 1.00 0.00 C ATOM 572 OG1 THR A 35 -10.291 -4.767 -13.683 1.00 0.00 O ATOM 573 CG2 THR A 35 -11.593 -4.990 -11.706 1.00 0.00 C ATOM 0 H THR A 35 -7.649 -5.058 -12.662 1.00 0.00 H new ATOM 0 HA THR A 35 -9.623 -3.110 -11.613 1.00 0.00 H new ATOM 0 HB THR A 35 -9.784 -6.070 -12.137 1.00 0.00 H new ATOM 0 HG1 THR A 35 -10.925 -5.385 -14.103 1.00 0.00 H new ATOM 0 HG21 THR A 35 -12.247 -5.688 -12.228 1.00 0.00 H new ATOM 0 HG22 THR A 35 -11.557 -5.249 -10.648 1.00 0.00 H new ATOM 0 HG23 THR A 35 -11.980 -3.977 -11.819 1.00 0.00 H new ATOM 581 N ALA A 36 -7.970 -5.382 -9.895 1.00 0.00 N ATOM 582 CA ALA A 36 -7.668 -5.869 -8.550 1.00 0.00 C ATOM 583 C ALA A 36 -6.871 -4.839 -7.739 1.00 0.00 C ATOM 584 O ALA A 36 -7.066 -4.715 -6.529 1.00 0.00 O ATOM 585 CB ALA A 36 -6.889 -7.186 -8.649 1.00 0.00 C ATOM 0 H ALA A 36 -7.386 -5.796 -10.621 1.00 0.00 H new ATOM 0 HA ALA A 36 -8.610 -6.036 -8.027 1.00 0.00 H new ATOM 0 HB1 ALA A 36 -6.663 -7.551 -7.647 1.00 0.00 H new ATOM 0 HB2 ALA A 36 -7.490 -7.926 -9.177 1.00 0.00 H new ATOM 0 HB3 ALA A 36 -5.959 -7.019 -9.193 1.00 0.00 H new ATOM 591 N VAL A 37 -5.979 -4.108 -8.407 1.00 0.00 N ATOM 592 CA VAL A 37 -5.024 -3.165 -7.843 1.00 0.00 C ATOM 593 C VAL A 37 -4.901 -1.996 -8.841 1.00 0.00 C ATOM 594 O VAL A 37 -3.918 -1.909 -9.582 1.00 0.00 O ATOM 595 CB VAL A 37 -3.662 -3.847 -7.556 1.00 0.00 C ATOM 596 CG1 VAL A 37 -2.807 -2.927 -6.677 1.00 0.00 C ATOM 597 CG2 VAL A 37 -3.770 -5.223 -6.879 1.00 0.00 C ATOM 0 H VAL A 37 -5.902 -4.165 -9.423 1.00 0.00 H new ATOM 0 HA VAL A 37 -5.367 -2.791 -6.879 1.00 0.00 H new ATOM 0 HB VAL A 37 -3.202 -4.017 -8.530 1.00 0.00 H new ATOM 0 HG11 VAL A 37 -1.849 -3.405 -6.474 1.00 0.00 H new ATOM 0 HG12 VAL A 37 -2.639 -1.982 -7.194 1.00 0.00 H new ATOM 0 HG13 VAL A 37 -3.325 -2.738 -5.736 1.00 0.00 H new ATOM 0 HG21 VAL A 37 -2.771 -5.627 -6.715 1.00 0.00 H new ATOM 0 HG22 VAL A 37 -4.280 -5.118 -5.922 1.00 0.00 H new ATOM 0 HG23 VAL A 37 -4.335 -5.900 -7.519 1.00 0.00 H new ATOM 607 N PRO A 38 -5.907 -1.106 -8.923 1.00 0.00 N ATOM 608 CA PRO A 38 -5.871 0.027 -9.842 1.00 0.00 C ATOM 609 C PRO A 38 -4.774 1.040 -9.475 1.00 0.00 C ATOM 610 O PRO A 38 -4.339 1.806 -10.337 1.00 0.00 O ATOM 611 CB PRO A 38 -7.271 0.648 -9.782 1.00 0.00 C ATOM 612 CG PRO A 38 -7.789 0.251 -8.400 1.00 0.00 C ATOM 613 CD PRO A 38 -7.149 -1.117 -8.167 1.00 0.00 C ATOM 0 HA PRO A 38 -5.621 -0.293 -10.853 1.00 0.00 H new ATOM 0 HB2 PRO A 38 -7.233 1.731 -9.899 1.00 0.00 H new ATOM 0 HB3 PRO A 38 -7.913 0.264 -10.575 1.00 0.00 H new ATOM 0 HG2 PRO A 38 -7.492 0.970 -7.637 1.00 0.00 H new ATOM 0 HG3 PRO A 38 -8.877 0.195 -8.379 1.00 0.00 H new ATOM 0 HD2 PRO A 38 -6.960 -1.285 -7.107 1.00 0.00 H new ATOM 0 HD3 PRO A 38 -7.806 -1.919 -8.505 1.00 0.00 H new ATOM 621 N ASP A 39 -4.321 1.064 -8.214 1.00 0.00 N ATOM 622 CA ASP A 39 -3.198 1.889 -7.777 1.00 0.00 C ATOM 623 C ASP A 39 -1.888 1.310 -8.317 1.00 0.00 C ATOM 624 O ASP A 39 -1.330 0.365 -7.755 1.00 0.00 O ATOM 625 CB ASP A 39 -3.149 2.003 -6.246 1.00 0.00 C ATOM 626 CG ASP A 39 -1.932 2.817 -5.763 1.00 0.00 C ATOM 627 OD1 ASP A 39 -1.289 3.520 -6.577 1.00 0.00 O ATOM 628 OD2 ASP A 39 -1.644 2.786 -4.545 1.00 0.00 O ATOM 0 H ASP A 39 -4.731 0.505 -7.466 1.00 0.00 H new ATOM 0 HA ASP A 39 -3.335 2.894 -8.176 1.00 0.00 H new ATOM 0 HB2 ASP A 39 -4.065 2.474 -5.889 1.00 0.00 H new ATOM 0 HB3 ASP A 39 -3.113 1.005 -5.810 1.00 0.00 H new ATOM 633 N LYS A 40 -1.382 1.885 -9.411 1.00 0.00 N ATOM 634 CA LYS A 40 -0.124 1.470 -10.029 1.00 0.00 C ATOM 635 C LYS A 40 1.093 1.644 -9.111 1.00 0.00 C ATOM 636 O LYS A 40 2.140 1.067 -9.409 1.00 0.00 O ATOM 637 CB LYS A 40 0.064 2.205 -11.368 1.00 0.00 C ATOM 638 CG LYS A 40 -0.908 1.670 -12.433 1.00 0.00 C ATOM 639 CD LYS A 40 -0.507 2.103 -13.849 1.00 0.00 C ATOM 640 CE LYS A 40 -1.502 1.536 -14.871 1.00 0.00 C ATOM 641 NZ LYS A 40 -1.094 1.820 -16.270 1.00 0.00 N ATOM 0 H LYS A 40 -1.839 2.658 -9.895 1.00 0.00 H new ATOM 0 HA LYS A 40 -0.191 0.398 -10.214 1.00 0.00 H new ATOM 0 HB2 LYS A 40 -0.099 3.273 -11.226 1.00 0.00 H new ATOM 0 HB3 LYS A 40 1.091 2.082 -11.713 1.00 0.00 H new ATOM 0 HG2 LYS A 40 -0.938 0.582 -12.382 1.00 0.00 H new ATOM 0 HG3 LYS A 40 -1.915 2.027 -12.217 1.00 0.00 H new ATOM 0 HD2 LYS A 40 -0.486 3.191 -13.914 1.00 0.00 H new ATOM 0 HD3 LYS A 40 0.500 1.751 -14.075 1.00 0.00 H new ATOM 0 HE2 LYS A 40 -1.589 0.458 -14.732 1.00 0.00 H new ATOM 0 HE3 LYS A 40 -2.489 1.961 -14.689 1.00 0.00 H new ATOM 0 HZ1 LYS A 40 -1.864 1.556 -16.917 1.00 0.00 H new ATOM 0 HZ2 LYS A 40 -0.888 2.834 -16.373 1.00 0.00 H new ATOM 0 HZ3 LYS A 40 -0.243 1.269 -16.502 1.00 0.00 H new ATOM 655 N ASN A 41 0.984 2.399 -8.012 1.00 0.00 N ATOM 656 CA ASN A 41 2.068 2.600 -7.051 1.00 0.00 C ATOM 657 C ASN A 41 1.960 1.610 -5.880 1.00 0.00 C ATOM 658 O ASN A 41 2.730 1.706 -4.923 1.00 0.00 O ATOM 659 CB ASN A 41 2.072 4.064 -6.565 1.00 0.00 C ATOM 660 CG ASN A 41 3.469 4.587 -6.221 1.00 0.00 C ATOM 661 OD1 ASN A 41 3.963 5.516 -6.855 1.00 0.00 O ATOM 662 ND2 ASN A 41 4.135 4.040 -5.220 1.00 0.00 N ATOM 0 H ASN A 41 0.127 2.893 -7.764 1.00 0.00 H new ATOM 0 HA ASN A 41 3.020 2.403 -7.545 1.00 0.00 H new ATOM 0 HB2 ASN A 41 1.635 4.697 -7.338 1.00 0.00 H new ATOM 0 HB3 ASN A 41 1.434 4.149 -5.686 1.00 0.00 H new ATOM 0 HD21 ASN A 41 5.061 4.389 -4.972 1.00 0.00 H new ATOM 0 HD22 ASN A 41 3.723 3.269 -4.695 1.00 0.00 H new ATOM 669 N ASP A 42 1.014 0.667 -5.899 1.00 0.00 N ATOM 670 CA ASP A 42 1.011 -0.427 -4.930 1.00 0.00 C ATOM 671 C ASP A 42 2.194 -1.348 -5.219 1.00 0.00 C ATOM 672 O ASP A 42 2.538 -1.572 -6.387 1.00 0.00 O ATOM 673 CB ASP A 42 -0.259 -1.262 -5.037 1.00 0.00 C ATOM 674 CG ASP A 42 -0.417 -2.142 -3.799 1.00 0.00 C ATOM 675 OD1 ASP A 42 -0.974 -1.644 -2.795 1.00 0.00 O ATOM 676 OD2 ASP A 42 0.046 -3.300 -3.832 1.00 0.00 O ATOM 0 H ASP A 42 0.247 0.640 -6.570 1.00 0.00 H new ATOM 0 HA ASP A 42 1.072 0.008 -3.933 1.00 0.00 H new ATOM 0 HB2 ASP A 42 -1.125 -0.608 -5.141 1.00 0.00 H new ATOM 0 HB3 ASP A 42 -0.220 -1.884 -5.932 1.00 0.00 H new ATOM 681 N THR A 43 2.790 -1.927 -4.182 1.00 0.00 N ATOM 682 CA THR A 43 3.761 -2.984 -4.356 1.00 0.00 C ATOM 683 C THR A 43 3.046 -4.317 -4.560 1.00 0.00 C ATOM 684 O THR A 43 2.845 -5.108 -3.638 1.00 0.00 O ATOM 685 CB THR A 43 4.829 -2.947 -3.257 1.00 0.00 C ATOM 686 OG1 THR A 43 5.576 -1.755 -3.401 1.00 0.00 O ATOM 687 CG2 THR A 43 5.795 -4.120 -3.408 1.00 0.00 C ATOM 0 H THR A 43 2.611 -1.675 -3.210 1.00 0.00 H new ATOM 0 HA THR A 43 4.336 -2.831 -5.269 1.00 0.00 H new ATOM 0 HB THR A 43 4.338 -3.001 -2.286 1.00 0.00 H new ATOM 0 HG1 THR A 43 5.920 -1.693 -4.317 1.00 0.00 H new ATOM 0 HG21 THR A 43 6.546 -4.077 -2.619 1.00 0.00 H new ATOM 0 HG22 THR A 43 5.244 -5.057 -3.333 1.00 0.00 H new ATOM 0 HG23 THR A 43 6.286 -4.064 -4.380 1.00 0.00 H new ATOM 695 N VAL A 44 2.670 -4.560 -5.811 1.00 0.00 N ATOM 696 CA VAL A 44 2.223 -5.862 -6.262 1.00 0.00 C ATOM 697 C VAL A 44 3.478 -6.742 -6.245 1.00 0.00 C ATOM 698 O VAL A 44 4.319 -6.659 -7.145 1.00 0.00 O ATOM 699 CB VAL A 44 1.562 -5.745 -7.653 1.00 0.00 C ATOM 700 CG1 VAL A 44 1.092 -7.101 -8.197 1.00 0.00 C ATOM 701 CG2 VAL A 44 0.355 -4.796 -7.622 1.00 0.00 C ATOM 0 H VAL A 44 2.669 -3.849 -6.542 1.00 0.00 H new ATOM 0 HA VAL A 44 1.454 -6.302 -5.627 1.00 0.00 H new ATOM 0 HB VAL A 44 2.334 -5.348 -8.312 1.00 0.00 H new ATOM 0 HG11 VAL A 44 0.635 -6.961 -9.177 1.00 0.00 H new ATOM 0 HG12 VAL A 44 1.946 -7.773 -8.287 1.00 0.00 H new ATOM 0 HG13 VAL A 44 0.361 -7.533 -7.514 1.00 0.00 H new ATOM 0 HG21 VAL A 44 -0.087 -4.736 -8.617 1.00 0.00 H new ATOM 0 HG22 VAL A 44 -0.386 -5.173 -6.918 1.00 0.00 H new ATOM 0 HG23 VAL A 44 0.680 -3.804 -7.309 1.00 0.00 H new ATOM 711 N LYS A 45 3.657 -7.522 -5.179 1.00 0.00 N ATOM 712 CA LYS A 45 4.652 -8.583 -5.144 1.00 0.00 C ATOM 713 C LYS A 45 4.148 -9.640 -6.114 1.00 0.00 C ATOM 714 O LYS A 45 2.947 -9.936 -6.133 1.00 0.00 O ATOM 715 CB LYS A 45 4.773 -9.195 -3.738 1.00 0.00 C ATOM 716 CG LYS A 45 5.217 -8.214 -2.645 1.00 0.00 C ATOM 717 CD LYS A 45 6.717 -8.277 -2.331 1.00 0.00 C ATOM 718 CE LYS A 45 6.981 -7.442 -1.071 1.00 0.00 C ATOM 719 NZ LYS A 45 8.393 -7.500 -0.628 1.00 0.00 N ATOM 0 H LYS A 45 3.115 -7.433 -4.319 1.00 0.00 H new ATOM 0 HA LYS A 45 5.638 -8.200 -5.409 1.00 0.00 H new ATOM 0 HB2 LYS A 45 3.808 -9.618 -3.457 1.00 0.00 H new ATOM 0 HB3 LYS A 45 5.484 -10.020 -3.776 1.00 0.00 H new ATOM 0 HG2 LYS A 45 4.962 -7.200 -2.954 1.00 0.00 H new ATOM 0 HG3 LYS A 45 4.655 -8.421 -1.734 1.00 0.00 H new ATOM 0 HD2 LYS A 45 7.029 -9.310 -2.174 1.00 0.00 H new ATOM 0 HD3 LYS A 45 7.297 -7.892 -3.170 1.00 0.00 H new ATOM 0 HE2 LYS A 45 6.708 -6.405 -1.265 1.00 0.00 H new ATOM 0 HE3 LYS A 45 6.338 -7.796 -0.265 1.00 0.00 H new ATOM 0 HZ1 LYS A 45 8.467 -7.140 0.345 1.00 0.00 H new ATOM 0 HZ2 LYS A 45 8.726 -8.485 -0.659 1.00 0.00 H new ATOM 0 HZ3 LYS A 45 8.979 -6.916 -1.258 1.00 0.00 H new ATOM 733 N VAL A 46 5.055 -10.250 -6.864 1.00 0.00 N ATOM 734 CA VAL A 46 4.719 -11.309 -7.806 1.00 0.00 C ATOM 735 C VAL A 46 5.587 -12.519 -7.485 1.00 0.00 C ATOM 736 O VAL A 46 6.792 -12.367 -7.254 1.00 0.00 O ATOM 737 CB VAL A 46 4.841 -10.815 -9.264 1.00 0.00 C ATOM 738 CG1 VAL A 46 3.743 -9.790 -9.589 1.00 0.00 C ATOM 739 CG2 VAL A 46 6.203 -10.184 -9.600 1.00 0.00 C ATOM 0 H VAL A 46 6.049 -10.023 -6.836 1.00 0.00 H new ATOM 0 HA VAL A 46 3.676 -11.609 -7.703 1.00 0.00 H new ATOM 0 HB VAL A 46 4.732 -11.712 -9.873 1.00 0.00 H new ATOM 0 HG11 VAL A 46 3.850 -9.457 -10.621 1.00 0.00 H new ATOM 0 HG12 VAL A 46 2.764 -10.251 -9.456 1.00 0.00 H new ATOM 0 HG13 VAL A 46 3.835 -8.934 -8.920 1.00 0.00 H new ATOM 0 HG21 VAL A 46 6.208 -9.863 -10.642 1.00 0.00 H new ATOM 0 HG22 VAL A 46 6.374 -9.323 -8.954 1.00 0.00 H new ATOM 0 HG23 VAL A 46 6.993 -10.918 -9.443 1.00 0.00 H new ATOM 749 N TYR A 47 4.976 -13.707 -7.458 1.00 0.00 N ATOM 750 CA TYR A 47 5.666 -14.974 -7.251 1.00 0.00 C ATOM 751 C TYR A 47 4.993 -16.084 -8.065 1.00 0.00 C ATOM 752 O TYR A 47 3.849 -15.927 -8.497 1.00 0.00 O ATOM 753 CB TYR A 47 5.741 -15.327 -5.758 1.00 0.00 C ATOM 754 CG TYR A 47 4.488 -15.888 -5.119 1.00 0.00 C ATOM 755 CD1 TYR A 47 3.508 -15.019 -4.602 1.00 0.00 C ATOM 756 CD2 TYR A 47 4.332 -17.281 -4.990 1.00 0.00 C ATOM 757 CE1 TYR A 47 2.388 -15.539 -3.932 1.00 0.00 C ATOM 758 CE2 TYR A 47 3.207 -17.808 -4.336 1.00 0.00 C ATOM 759 CZ TYR A 47 2.242 -16.939 -3.787 1.00 0.00 C ATOM 760 OH TYR A 47 1.167 -17.466 -3.136 1.00 0.00 O ATOM 0 H TYR A 47 3.969 -13.812 -7.582 1.00 0.00 H new ATOM 0 HA TYR A 47 6.692 -14.873 -7.606 1.00 0.00 H new ATOM 0 HB2 TYR A 47 6.544 -16.051 -5.621 1.00 0.00 H new ATOM 0 HB3 TYR A 47 6.026 -14.428 -5.212 1.00 0.00 H new ATOM 0 HD1 TYR A 47 3.618 -13.951 -4.721 1.00 0.00 H new ATOM 0 HD2 TYR A 47 5.080 -17.946 -5.395 1.00 0.00 H new ATOM 0 HE1 TYR A 47 1.640 -14.872 -3.529 1.00 0.00 H new ATOM 0 HE2 TYR A 47 3.081 -18.877 -4.254 1.00 0.00 H new ATOM 0 HH TYR A 47 1.101 -18.423 -3.335 1.00 0.00 H new ATOM 770 N CYS A 48 5.689 -17.206 -8.260 1.00 0.00 N ATOM 771 CA CYS A 48 5.210 -18.423 -8.891 1.00 0.00 C ATOM 772 C CYS A 48 5.959 -19.598 -8.255 1.00 0.00 C ATOM 773 O CYS A 48 6.419 -19.470 -7.123 1.00 0.00 O ATOM 774 CB CYS A 48 5.355 -18.335 -10.422 1.00 0.00 C ATOM 775 SG CYS A 48 7.100 -18.343 -10.930 1.00 0.00 S ATOM 0 H CYS A 48 6.661 -17.287 -7.961 1.00 0.00 H new ATOM 0 HA CYS A 48 4.144 -18.573 -8.723 1.00 0.00 H new ATOM 0 HB2 CYS A 48 4.836 -19.174 -10.886 1.00 0.00 H new ATOM 0 HB3 CYS A 48 4.875 -17.425 -10.782 1.00 0.00 H new ATOM 0 HG CYS A 48 7.703 -17.307 -10.427 1.00 0.00 H new ATOM 781 N ASN A 49 6.093 -20.742 -8.937 1.00 0.00 N ATOM 782 CA ASN A 49 6.744 -21.922 -8.361 1.00 0.00 C ATOM 783 C ASN A 49 8.231 -21.671 -8.081 1.00 0.00 C ATOM 784 O ASN A 49 8.685 -21.902 -6.958 1.00 0.00 O ATOM 785 CB ASN A 49 6.571 -23.131 -9.297 1.00 0.00 C ATOM 786 CG ASN A 49 7.156 -24.405 -8.684 1.00 0.00 C ATOM 787 OD1 ASN A 49 8.366 -24.598 -8.640 1.00 0.00 O ATOM 788 ND2 ASN A 49 6.314 -25.308 -8.211 1.00 0.00 N ATOM 0 H ASN A 49 5.758 -20.874 -9.891 1.00 0.00 H new ATOM 0 HA ASN A 49 6.263 -22.135 -7.407 1.00 0.00 H new ATOM 0 HB2 ASN A 49 5.512 -23.281 -9.507 1.00 0.00 H new ATOM 0 HB3 ASN A 49 7.060 -22.927 -10.250 1.00 0.00 H new ATOM 0 HD21 ASN A 49 6.669 -26.174 -7.805 1.00 0.00 H new ATOM 0 HD22 ASN A 49 5.309 -25.139 -8.252 1.00 0.00 H new ATOM 795 N ALA A 50 8.969 -21.153 -9.075 1.00 0.00 N ATOM 796 CA ALA A 50 10.434 -21.101 -9.043 1.00 0.00 C ATOM 797 C ALA A 50 11.037 -19.741 -9.426 1.00 0.00 C ATOM 798 O ALA A 50 12.247 -19.567 -9.277 1.00 0.00 O ATOM 799 CB ALA A 50 10.982 -22.208 -9.955 1.00 0.00 C ATOM 0 H ALA A 50 8.563 -20.758 -9.924 1.00 0.00 H new ATOM 0 HA ALA A 50 10.733 -21.255 -8.006 1.00 0.00 H new ATOM 0 HB1 ALA A 50 12.072 -22.183 -9.943 1.00 0.00 H new ATOM 0 HB2 ALA A 50 10.637 -23.178 -9.597 1.00 0.00 H new ATOM 0 HB3 ALA A 50 10.627 -22.049 -10.973 1.00 0.00 H new ATOM 805 N GLY A 51 10.233 -18.779 -9.895 1.00 0.00 N ATOM 806 CA GLY A 51 10.658 -17.388 -10.081 1.00 0.00 C ATOM 807 C GLY A 51 10.547 -16.891 -11.520 1.00 0.00 C ATOM 808 O GLY A 51 10.372 -15.691 -11.733 1.00 0.00 O ATOM 0 H GLY A 51 9.262 -18.946 -10.158 1.00 0.00 H new ATOM 0 HA2 GLY A 51 10.055 -16.746 -9.438 1.00 0.00 H new ATOM 0 HA3 GLY A 51 11.692 -17.288 -9.752 1.00 0.00 H new ATOM 812 N ARG A 52 10.630 -17.776 -12.522 1.00 0.00 N ATOM 813 CA ARG A 52 10.689 -17.347 -13.925 1.00 0.00 C ATOM 814 C ARG A 52 9.428 -16.594 -14.352 1.00 0.00 C ATOM 815 O ARG A 52 9.531 -15.530 -14.965 1.00 0.00 O ATOM 816 CB ARG A 52 11.040 -18.525 -14.859 1.00 0.00 C ATOM 817 CG ARG A 52 10.025 -19.686 -14.886 1.00 0.00 C ATOM 818 CD ARG A 52 10.480 -20.837 -15.795 1.00 0.00 C ATOM 819 NE ARG A 52 11.671 -21.536 -15.273 1.00 0.00 N ATOM 820 CZ ARG A 52 12.317 -22.535 -15.890 1.00 0.00 C ATOM 821 NH1 ARG A 52 11.903 -22.984 -17.073 1.00 0.00 N ATOM 822 NH2 ARG A 52 13.382 -23.085 -15.315 1.00 0.00 N ATOM 0 H ARG A 52 10.658 -18.787 -12.389 1.00 0.00 H new ATOM 0 HA ARG A 52 11.503 -16.628 -14.016 1.00 0.00 H new ATOM 0 HB2 ARG A 52 11.150 -18.140 -15.873 1.00 0.00 H new ATOM 0 HB3 ARG A 52 12.010 -18.923 -14.562 1.00 0.00 H new ATOM 0 HG2 ARG A 52 9.879 -20.062 -13.873 1.00 0.00 H new ATOM 0 HG3 ARG A 52 9.060 -19.314 -15.230 1.00 0.00 H new ATOM 0 HD2 ARG A 52 9.664 -21.551 -15.907 1.00 0.00 H new ATOM 0 HD3 ARG A 52 10.699 -20.446 -16.788 1.00 0.00 H new ATOM 0 HE ARG A 52 12.032 -21.234 -14.368 1.00 0.00 H new ATOM 0 HH11 ARG A 52 11.086 -22.567 -17.519 1.00 0.00 H new ATOM 0 HH12 ARG A 52 12.403 -23.745 -17.533 1.00 0.00 H new ATOM 0 HH21 ARG A 52 13.704 -22.746 -14.408 1.00 0.00 H new ATOM 0 HH22 ARG A 52 13.877 -23.846 -15.781 1.00 0.00 H new ATOM 836 N GLN A 53 8.243 -17.099 -13.990 1.00 0.00 N ATOM 837 CA GLN A 53 6.989 -16.437 -14.341 1.00 0.00 C ATOM 838 C GLN A 53 6.823 -15.167 -13.501 1.00 0.00 C ATOM 839 O GLN A 53 6.275 -14.188 -14.001 1.00 0.00 O ATOM 840 CB GLN A 53 5.810 -17.423 -14.211 1.00 0.00 C ATOM 841 CG GLN A 53 4.594 -17.061 -15.073 1.00 0.00 C ATOM 842 CD GLN A 53 3.737 -18.288 -15.411 1.00 0.00 C ATOM 843 OE1 GLN A 53 4.131 -19.126 -16.218 1.00 0.00 O ATOM 844 NE2 GLN A 53 2.556 -18.438 -14.830 1.00 0.00 N ATOM 0 H GLN A 53 8.130 -17.961 -13.456 1.00 0.00 H new ATOM 0 HA GLN A 53 7.006 -16.122 -15.384 1.00 0.00 H new ATOM 0 HB2 GLN A 53 6.153 -18.421 -14.485 1.00 0.00 H new ATOM 0 HB3 GLN A 53 5.501 -17.468 -13.167 1.00 0.00 H new ATOM 0 HG2 GLN A 53 3.983 -16.327 -14.547 1.00 0.00 H new ATOM 0 HG3 GLN A 53 4.932 -16.591 -15.996 1.00 0.00 H new ATOM 0 HE21 GLN A 53 2.226 -17.744 -14.159 1.00 0.00 H new ATOM 0 HE22 GLN A 53 1.977 -19.247 -15.053 1.00 0.00 H new ATOM 853 N SER A 54 7.353 -15.135 -12.271 1.00 0.00 N ATOM 854 CA SER A 54 7.388 -13.941 -11.435 1.00 0.00 C ATOM 855 C SER A 54 8.186 -12.830 -12.114 1.00 0.00 C ATOM 856 O SER A 54 7.755 -11.682 -12.115 1.00 0.00 O ATOM 857 CB SER A 54 8.035 -14.247 -10.076 1.00 0.00 C ATOM 858 OG SER A 54 7.802 -15.574 -9.652 1.00 0.00 O ATOM 0 H SER A 54 7.774 -15.952 -11.828 1.00 0.00 H new ATOM 0 HA SER A 54 6.358 -13.616 -11.286 1.00 0.00 H new ATOM 0 HB2 SER A 54 9.109 -14.073 -10.141 1.00 0.00 H new ATOM 0 HB3 SER A 54 7.645 -13.556 -9.328 1.00 0.00 H new ATOM 0 HG SER A 54 6.867 -15.813 -9.823 1.00 0.00 H new ATOM 864 N GLY A 55 9.357 -13.148 -12.675 1.00 0.00 N ATOM 865 CA GLY A 55 10.224 -12.163 -13.310 1.00 0.00 C ATOM 866 C GLY A 55 9.562 -11.595 -14.554 1.00 0.00 C ATOM 867 O GLY A 55 9.512 -10.376 -14.720 1.00 0.00 O ATOM 0 H GLY A 55 9.727 -14.098 -12.699 1.00 0.00 H new ATOM 0 HA2 GLY A 55 10.445 -11.358 -12.609 1.00 0.00 H new ATOM 0 HA3 GLY A 55 11.175 -12.624 -13.575 1.00 0.00 H new ATOM 871 N GLN A 56 8.982 -12.464 -15.389 1.00 0.00 N ATOM 872 CA GLN A 56 8.211 -12.019 -16.540 1.00 0.00 C ATOM 873 C GLN A 56 7.034 -11.153 -16.101 1.00 0.00 C ATOM 874 O GLN A 56 6.839 -10.087 -16.679 1.00 0.00 O ATOM 875 CB GLN A 56 7.766 -13.221 -17.388 1.00 0.00 C ATOM 876 CG GLN A 56 8.904 -13.760 -18.274 1.00 0.00 C ATOM 877 CD GLN A 56 9.353 -12.710 -19.297 1.00 0.00 C ATOM 878 OE1 GLN A 56 8.685 -12.470 -20.300 1.00 0.00 O ATOM 879 NE2 GLN A 56 10.458 -12.025 -19.044 1.00 0.00 N ATOM 0 H GLN A 56 9.036 -13.477 -15.284 1.00 0.00 H new ATOM 0 HA GLN A 56 8.846 -11.397 -17.170 1.00 0.00 H new ATOM 0 HB2 GLN A 56 7.411 -14.016 -16.731 1.00 0.00 H new ATOM 0 HB3 GLN A 56 6.925 -12.928 -18.017 1.00 0.00 H new ATOM 0 HG2 GLN A 56 9.750 -14.048 -17.650 1.00 0.00 H new ATOM 0 HG3 GLN A 56 8.570 -14.658 -18.793 1.00 0.00 H new ATOM 0 HE21 GLN A 56 11.006 -12.231 -18.209 1.00 0.00 H new ATOM 0 HE22 GLN A 56 10.761 -11.291 -19.684 1.00 0.00 H new ATOM 888 N ALA A 57 6.299 -11.535 -15.054 1.00 0.00 N ATOM 889 CA ALA A 57 5.213 -10.716 -14.535 1.00 0.00 C ATOM 890 C ALA A 57 5.717 -9.348 -14.087 1.00 0.00 C ATOM 891 O ALA A 57 5.111 -8.335 -14.427 1.00 0.00 O ATOM 892 CB ALA A 57 4.518 -11.430 -13.377 1.00 0.00 C ATOM 0 H ALA A 57 6.441 -12.411 -14.551 1.00 0.00 H new ATOM 0 HA ALA A 57 4.494 -10.562 -15.340 1.00 0.00 H new ATOM 0 HB1 ALA A 57 3.708 -10.806 -12.999 1.00 0.00 H new ATOM 0 HB2 ALA A 57 4.112 -12.379 -13.726 1.00 0.00 H new ATOM 0 HB3 ALA A 57 5.237 -11.614 -12.579 1.00 0.00 H new ATOM 898 N LYS A 58 6.835 -9.296 -13.358 1.00 0.00 N ATOM 899 CA LYS A 58 7.385 -8.041 -12.858 1.00 0.00 C ATOM 900 C LYS A 58 7.743 -7.127 -14.027 1.00 0.00 C ATOM 901 O LYS A 58 7.490 -5.926 -13.958 1.00 0.00 O ATOM 902 CB LYS A 58 8.592 -8.315 -11.944 1.00 0.00 C ATOM 903 CG LYS A 58 8.585 -7.432 -10.690 1.00 0.00 C ATOM 904 CD LYS A 58 8.976 -5.970 -10.881 1.00 0.00 C ATOM 905 CE LYS A 58 10.304 -5.709 -11.599 1.00 0.00 C ATOM 906 NZ LYS A 58 10.539 -4.259 -11.833 1.00 0.00 N ATOM 0 H LYS A 58 7.379 -10.120 -13.101 1.00 0.00 H new ATOM 0 HA LYS A 58 6.635 -7.527 -12.257 1.00 0.00 H new ATOM 0 HB2 LYS A 58 8.589 -9.364 -11.647 1.00 0.00 H new ATOM 0 HB3 LYS A 58 9.513 -8.144 -12.501 1.00 0.00 H new ATOM 0 HG2 LYS A 58 7.585 -7.463 -10.257 1.00 0.00 H new ATOM 0 HG3 LYS A 58 9.263 -7.873 -9.959 1.00 0.00 H new ATOM 0 HD2 LYS A 58 8.182 -5.474 -11.440 1.00 0.00 H new ATOM 0 HD3 LYS A 58 9.019 -5.497 -9.900 1.00 0.00 H new ATOM 0 HE2 LYS A 58 11.122 -6.117 -11.006 1.00 0.00 H new ATOM 0 HE3 LYS A 58 10.309 -6.235 -12.554 1.00 0.00 H new ATOM 0 HZ1 LYS A 58 11.491 -4.121 -12.228 1.00 0.00 H new ATOM 0 HZ2 LYS A 58 9.831 -3.896 -12.502 1.00 0.00 H new ATOM 0 HZ3 LYS A 58 10.460 -3.745 -10.933 1.00 0.00 H new ATOM 920 N GLU A 59 8.308 -7.671 -15.103 1.00 0.00 N ATOM 921 CA GLU A 59 8.740 -6.932 -16.266 1.00 0.00 C ATOM 922 C GLU A 59 7.507 -6.429 -17.024 1.00 0.00 C ATOM 923 O GLU A 59 7.433 -5.250 -17.366 1.00 0.00 O ATOM 924 CB GLU A 59 9.634 -7.890 -17.074 1.00 0.00 C ATOM 925 CG GLU A 59 9.850 -7.432 -18.510 1.00 0.00 C ATOM 926 CD GLU A 59 10.961 -8.233 -19.215 1.00 0.00 C ATOM 927 OE1 GLU A 59 10.682 -9.313 -19.783 1.00 0.00 O ATOM 928 OE2 GLU A 59 12.128 -7.776 -19.223 1.00 0.00 O ATOM 0 H GLU A 59 8.479 -8.673 -15.182 1.00 0.00 H new ATOM 0 HA GLU A 59 9.319 -6.040 -16.029 1.00 0.00 H new ATOM 0 HB2 GLU A 59 10.600 -7.982 -16.578 1.00 0.00 H new ATOM 0 HB3 GLU A 59 9.183 -8.882 -17.079 1.00 0.00 H new ATOM 0 HG2 GLU A 59 8.919 -7.537 -19.067 1.00 0.00 H new ATOM 0 HG3 GLU A 59 10.108 -6.373 -18.517 1.00 0.00 H new ATOM 935 N ILE A 60 6.514 -7.297 -17.227 1.00 0.00 N ATOM 936 CA ILE A 60 5.260 -6.976 -17.894 1.00 0.00 C ATOM 937 C ILE A 60 4.543 -5.854 -17.139 1.00 0.00 C ATOM 938 O ILE A 60 4.099 -4.889 -17.759 1.00 0.00 O ATOM 939 CB ILE A 60 4.432 -8.281 -18.021 1.00 0.00 C ATOM 940 CG1 ILE A 60 5.020 -9.162 -19.150 1.00 0.00 C ATOM 941 CG2 ILE A 60 2.940 -8.021 -18.268 1.00 0.00 C ATOM 942 CD1 ILE A 60 4.491 -10.603 -19.156 1.00 0.00 C ATOM 0 H ILE A 60 6.566 -8.269 -16.922 1.00 0.00 H new ATOM 0 HA ILE A 60 5.424 -6.595 -18.902 1.00 0.00 H new ATOM 0 HB ILE A 60 4.501 -8.803 -17.066 1.00 0.00 H new ATOM 0 HG12 ILE A 60 4.797 -8.700 -20.111 1.00 0.00 H new ATOM 0 HG13 ILE A 60 6.105 -9.185 -19.052 1.00 0.00 H new ATOM 0 HG21 ILE A 60 2.413 -8.972 -18.348 1.00 0.00 H new ATOM 0 HG22 ILE A 60 2.528 -7.447 -17.438 1.00 0.00 H new ATOM 0 HG23 ILE A 60 2.817 -7.459 -19.194 1.00 0.00 H new ATOM 0 HD11 ILE A 60 4.950 -11.156 -19.976 1.00 0.00 H new ATOM 0 HD12 ILE A 60 4.738 -11.085 -18.210 1.00 0.00 H new ATOM 0 HD13 ILE A 60 3.409 -10.593 -19.286 1.00 0.00 H new ATOM 954 N LEU A 61 4.444 -5.936 -15.810 1.00 0.00 N ATOM 955 CA LEU A 61 3.738 -4.918 -15.045 1.00 0.00 C ATOM 956 C LEU A 61 4.535 -3.614 -14.998 1.00 0.00 C ATOM 957 O LEU A 61 3.929 -2.542 -15.033 1.00 0.00 O ATOM 958 CB LEU A 61 3.387 -5.417 -13.639 1.00 0.00 C ATOM 959 CG LEU A 61 2.359 -6.569 -13.589 1.00 0.00 C ATOM 960 CD1 LEU A 61 1.904 -6.786 -12.140 1.00 0.00 C ATOM 961 CD2 LEU A 61 1.140 -6.341 -14.488 1.00 0.00 C ATOM 0 H LEU A 61 4.841 -6.691 -15.250 1.00 0.00 H new ATOM 0 HA LEU A 61 2.798 -4.710 -15.556 1.00 0.00 H new ATOM 0 HB2 LEU A 61 4.303 -5.747 -13.148 1.00 0.00 H new ATOM 0 HB3 LEU A 61 2.999 -4.579 -13.060 1.00 0.00 H new ATOM 0 HG LEU A 61 2.862 -7.457 -13.972 1.00 0.00 H new ATOM 0 HD11 LEU A 61 1.179 -7.599 -12.104 1.00 0.00 H new ATOM 0 HD12 LEU A 61 2.765 -7.041 -11.522 1.00 0.00 H new ATOM 0 HD13 LEU A 61 1.444 -5.873 -11.762 1.00 0.00 H new ATOM 0 HD21 LEU A 61 0.461 -7.189 -14.402 1.00 0.00 H new ATOM 0 HD22 LEU A 61 0.625 -5.431 -14.179 1.00 0.00 H new ATOM 0 HD23 LEU A 61 1.465 -6.240 -15.523 1.00 0.00 H new ATOM 973 N SER A 62 5.872 -3.676 -14.983 1.00 0.00 N ATOM 974 CA SER A 62 6.703 -2.482 -15.110 1.00 0.00 C ATOM 975 C SER A 62 6.450 -1.809 -16.468 1.00 0.00 C ATOM 976 O SER A 62 6.309 -0.589 -16.532 1.00 0.00 O ATOM 977 CB SER A 62 8.189 -2.825 -14.935 1.00 0.00 C ATOM 978 OG SER A 62 8.434 -3.489 -13.703 1.00 0.00 O ATOM 0 H SER A 62 6.398 -4.544 -14.884 1.00 0.00 H new ATOM 0 HA SER A 62 6.432 -1.783 -14.319 1.00 0.00 H new ATOM 0 HB2 SER A 62 8.516 -3.457 -15.760 1.00 0.00 H new ATOM 0 HB3 SER A 62 8.781 -1.911 -14.980 1.00 0.00 H new ATOM 0 HG SER A 62 8.335 -4.456 -13.827 1.00 0.00 H new ATOM 984 N GLU A 63 6.324 -2.590 -17.548 1.00 0.00 N ATOM 985 CA GLU A 63 6.016 -2.096 -18.886 1.00 0.00 C ATOM 986 C GLU A 63 4.603 -1.488 -18.940 1.00 0.00 C ATOM 987 O GLU A 63 4.404 -0.452 -19.577 1.00 0.00 O ATOM 988 CB GLU A 63 6.219 -3.241 -19.896 1.00 0.00 C ATOM 989 CG GLU A 63 5.962 -2.815 -21.345 1.00 0.00 C ATOM 990 CD GLU A 63 6.359 -3.921 -22.339 1.00 0.00 C ATOM 991 OE1 GLU A 63 5.514 -4.783 -22.671 1.00 0.00 O ATOM 992 OE2 GLU A 63 7.514 -3.925 -22.824 1.00 0.00 O ATOM 0 H GLU A 63 6.437 -3.603 -17.510 1.00 0.00 H new ATOM 0 HA GLU A 63 6.694 -1.286 -19.153 1.00 0.00 H new ATOM 0 HB2 GLU A 63 7.238 -3.618 -19.809 1.00 0.00 H new ATOM 0 HB3 GLU A 63 5.552 -4.065 -19.642 1.00 0.00 H new ATOM 0 HG2 GLU A 63 4.907 -2.572 -21.472 1.00 0.00 H new ATOM 0 HG3 GLU A 63 6.526 -1.908 -21.564 1.00 0.00 H new ATOM 999 N MET A 64 3.637 -2.070 -18.218 1.00 0.00 N ATOM 1000 CA MET A 64 2.295 -1.509 -18.024 1.00 0.00 C ATOM 1001 C MET A 64 2.303 -0.252 -17.138 1.00 0.00 C ATOM 1002 O MET A 64 1.259 0.387 -16.975 1.00 0.00 O ATOM 1003 CB MET A 64 1.358 -2.568 -17.422 1.00 0.00 C ATOM 1004 CG MET A 64 1.007 -3.674 -18.422 1.00 0.00 C ATOM 1005 SD MET A 64 0.196 -5.130 -17.704 1.00 0.00 S ATOM 1006 CE MET A 64 -1.220 -4.388 -16.844 1.00 0.00 C ATOM 0 H MET A 64 3.770 -2.963 -17.743 1.00 0.00 H new ATOM 0 HA MET A 64 1.930 -1.210 -19.007 1.00 0.00 H new ATOM 0 HB2 MET A 64 1.831 -3.011 -16.546 1.00 0.00 H new ATOM 0 HB3 MET A 64 0.442 -2.086 -17.081 1.00 0.00 H new ATOM 0 HG2 MET A 64 0.356 -3.256 -19.189 1.00 0.00 H new ATOM 0 HG3 MET A 64 1.921 -3.995 -18.921 1.00 0.00 H new ATOM 0 HE1 MET A 64 -1.851 -5.177 -16.435 1.00 0.00 H new ATOM 0 HE2 MET A 64 -0.862 -3.753 -16.034 1.00 0.00 H new ATOM 0 HE3 MET A 64 -1.799 -3.788 -17.546 1.00 0.00 H new ATOM 1016 N GLY A 65 3.446 0.124 -16.564 1.00 0.00 N ATOM 1017 CA GLY A 65 3.612 1.373 -15.842 1.00 0.00 C ATOM 1018 C GLY A 65 3.332 1.244 -14.348 1.00 0.00 C ATOM 1019 O GLY A 65 3.140 2.273 -13.701 1.00 0.00 O ATOM 0 H GLY A 65 4.293 -0.444 -16.592 1.00 0.00 H new ATOM 0 HA2 GLY A 65 4.630 1.735 -15.985 1.00 0.00 H new ATOM 0 HA3 GLY A 65 2.945 2.123 -16.267 1.00 0.00 H new ATOM 1023 N TYR A 66 3.272 0.031 -13.782 1.00 0.00 N ATOM 1024 CA TYR A 66 3.253 -0.119 -12.330 1.00 0.00 C ATOM 1025 C TYR A 66 4.610 0.364 -11.824 1.00 0.00 C ATOM 1026 O TYR A 66 5.654 -0.111 -12.275 1.00 0.00 O ATOM 1027 CB TYR A 66 2.931 -1.555 -11.886 1.00 0.00 C ATOM 1028 CG TYR A 66 1.446 -1.893 -11.918 1.00 0.00 C ATOM 1029 CD1 TYR A 66 0.755 -1.951 -13.145 1.00 0.00 C ATOM 1030 CD2 TYR A 66 0.740 -2.098 -10.713 1.00 0.00 C ATOM 1031 CE1 TYR A 66 -0.641 -2.129 -13.165 1.00 0.00 C ATOM 1032 CE2 TYR A 66 -0.655 -2.295 -10.727 1.00 0.00 C ATOM 1033 CZ TYR A 66 -1.356 -2.260 -11.952 1.00 0.00 C ATOM 1034 OH TYR A 66 -2.715 -2.319 -11.975 1.00 0.00 O ATOM 0 H TYR A 66 3.236 -0.845 -14.303 1.00 0.00 H new ATOM 0 HA TYR A 66 2.451 0.478 -11.896 1.00 0.00 H new ATOM 0 HB2 TYR A 66 3.466 -2.253 -12.530 1.00 0.00 H new ATOM 0 HB3 TYR A 66 3.306 -1.704 -10.873 1.00 0.00 H new ATOM 0 HD1 TYR A 66 1.299 -1.858 -14.073 1.00 0.00 H new ATOM 0 HD2 TYR A 66 1.273 -2.104 -9.774 1.00 0.00 H new ATOM 0 HE1 TYR A 66 -1.167 -2.166 -14.108 1.00 0.00 H new ATOM 0 HE2 TYR A 66 -1.186 -2.472 -9.804 1.00 0.00 H new ATOM 0 HH TYR A 66 -3.064 -2.176 -11.071 1.00 0.00 H new ATOM 1044 N THR A 67 4.600 1.336 -10.917 1.00 0.00 N ATOM 1045 CA THR A 67 5.786 2.072 -10.503 1.00 0.00 C ATOM 1046 C THR A 67 6.467 1.438 -9.288 1.00 0.00 C ATOM 1047 O THR A 67 7.594 1.822 -8.965 1.00 0.00 O ATOM 1048 CB THR A 67 5.381 3.532 -10.223 1.00 0.00 C ATOM 1049 OG1 THR A 67 4.248 3.572 -9.375 1.00 0.00 O ATOM 1050 CG2 THR A 67 5.005 4.266 -11.513 1.00 0.00 C ATOM 0 H THR A 67 3.750 1.639 -10.441 1.00 0.00 H new ATOM 0 HA THR A 67 6.521 2.040 -11.307 1.00 0.00 H new ATOM 0 HB THR A 67 6.240 4.015 -9.757 1.00 0.00 H new ATOM 0 HG1 THR A 67 4.339 4.315 -8.743 1.00 0.00 H new ATOM 0 HG21 THR A 67 4.725 5.293 -11.279 1.00 0.00 H new ATOM 0 HG22 THR A 67 5.858 4.269 -12.192 1.00 0.00 H new ATOM 0 HG23 THR A 67 4.165 3.760 -11.988 1.00 0.00 H new ATOM 1058 N HIS A 68 5.817 0.475 -8.618 1.00 0.00 N ATOM 1059 CA HIS A 68 6.281 -0.023 -7.325 1.00 0.00 C ATOM 1060 C HIS A 68 6.183 -1.537 -7.167 1.00 0.00 C ATOM 1061 O HIS A 68 6.289 -2.050 -6.053 1.00 0.00 O ATOM 1062 CB HIS A 68 5.551 0.746 -6.205 1.00 0.00 C ATOM 1063 CG HIS A 68 6.470 1.333 -5.167 1.00 0.00 C ATOM 1064 ND1 HIS A 68 6.652 0.888 -3.878 1.00 0.00 N ATOM 1065 CD2 HIS A 68 7.236 2.457 -5.318 1.00 0.00 C ATOM 1066 CE1 HIS A 68 7.514 1.718 -3.268 1.00 0.00 C ATOM 1067 NE2 HIS A 68 7.902 2.698 -4.108 1.00 0.00 N ATOM 0 H HIS A 68 4.965 0.027 -8.956 1.00 0.00 H new ATOM 0 HA HIS A 68 7.352 0.169 -7.256 1.00 0.00 H new ATOM 0 HB2 HIS A 68 4.964 1.549 -6.652 1.00 0.00 H new ATOM 0 HB3 HIS A 68 4.848 0.073 -5.714 1.00 0.00 H new ATOM 0 HD1 HIS A 68 6.209 0.070 -3.459 1.00 0.00 H new ATOM 0 HD2 HIS A 68 7.314 3.055 -6.214 1.00 0.00 H new ATOM 0 HE1 HIS A 68 7.849 1.615 -2.247 1.00 0.00 H new ATOM 1075 N VAL A 69 6.018 -2.247 -8.280 1.00 0.00 N ATOM 1076 CA VAL A 69 6.077 -3.706 -8.328 1.00 0.00 C ATOM 1077 C VAL A 69 7.422 -4.182 -7.780 1.00 0.00 C ATOM 1078 O VAL A 69 8.434 -3.486 -7.910 1.00 0.00 O ATOM 1079 CB VAL A 69 5.864 -4.228 -9.766 1.00 0.00 C ATOM 1080 CG1 VAL A 69 4.378 -4.406 -10.066 1.00 0.00 C ATOM 1081 CG2 VAL A 69 6.527 -3.391 -10.871 1.00 0.00 C ATOM 0 H VAL A 69 5.837 -1.819 -9.188 1.00 0.00 H new ATOM 0 HA VAL A 69 5.273 -4.106 -7.710 1.00 0.00 H new ATOM 0 HB VAL A 69 6.373 -5.192 -9.785 1.00 0.00 H new ATOM 0 HG11 VAL A 69 4.254 -4.774 -11.084 1.00 0.00 H new ATOM 0 HG12 VAL A 69 3.949 -5.123 -9.366 1.00 0.00 H new ATOM 0 HG13 VAL A 69 3.869 -3.448 -9.962 1.00 0.00 H new ATOM 0 HG21 VAL A 69 6.319 -3.840 -11.842 1.00 0.00 H new ATOM 0 HG22 VAL A 69 6.129 -2.377 -10.847 1.00 0.00 H new ATOM 0 HG23 VAL A 69 7.604 -3.362 -10.708 1.00 0.00 H new ATOM 1091 N GLU A 70 7.451 -5.392 -7.221 1.00 0.00 N ATOM 1092 CA GLU A 70 8.677 -5.977 -6.708 1.00 0.00 C ATOM 1093 C GLU A 70 8.648 -7.482 -6.954 1.00 0.00 C ATOM 1094 O GLU A 70 7.602 -8.129 -6.851 1.00 0.00 O ATOM 1095 CB GLU A 70 8.832 -5.613 -5.223 1.00 0.00 C ATOM 1096 CG GLU A 70 10.225 -5.993 -4.713 1.00 0.00 C ATOM 1097 CD GLU A 70 10.481 -5.461 -3.296 1.00 0.00 C ATOM 1098 OE1 GLU A 70 10.045 -6.114 -2.324 1.00 0.00 O ATOM 1099 OE2 GLU A 70 11.139 -4.405 -3.144 1.00 0.00 O ATOM 0 H GLU A 70 6.628 -5.986 -7.114 1.00 0.00 H new ATOM 0 HA GLU A 70 9.550 -5.580 -7.225 1.00 0.00 H new ATOM 0 HB2 GLU A 70 8.669 -4.544 -5.087 1.00 0.00 H new ATOM 0 HB3 GLU A 70 8.072 -6.128 -4.636 1.00 0.00 H new ATOM 0 HG2 GLU A 70 10.330 -7.078 -4.718 1.00 0.00 H new ATOM 0 HG3 GLU A 70 10.981 -5.597 -5.391 1.00 0.00 H new ATOM 1106 N ASN A 71 9.803 -8.031 -7.328 1.00 0.00 N ATOM 1107 CA ASN A 71 9.938 -9.431 -7.691 1.00 0.00 C ATOM 1108 C ASN A 71 10.205 -10.237 -6.425 1.00 0.00 C ATOM 1109 O ASN A 71 11.263 -10.062 -5.815 1.00 0.00 O ATOM 1110 CB ASN A 71 11.098 -9.595 -8.683 1.00 0.00 C ATOM 1111 CG ASN A 71 11.143 -11.038 -9.151 1.00 0.00 C ATOM 1112 OD1 ASN A 71 12.044 -11.797 -8.811 1.00 0.00 O ATOM 1113 ND2 ASN A 71 10.140 -11.461 -9.902 1.00 0.00 N ATOM 0 H ASN A 71 10.676 -7.507 -7.386 1.00 0.00 H new ATOM 0 HA ASN A 71 9.024 -9.789 -8.165 1.00 0.00 H new ATOM 0 HB2 ASN A 71 10.964 -8.927 -9.534 1.00 0.00 H new ATOM 0 HB3 ASN A 71 12.041 -9.323 -8.209 1.00 0.00 H new ATOM 0 HD21 ASN A 71 10.107 -12.433 -10.208 1.00 0.00 H new ATOM 0 HD22 ASN A 71 9.399 -10.815 -10.175 1.00 0.00 H new ATOM 1120 N ALA A 72 9.258 -11.078 -5.997 1.00 0.00 N ATOM 1121 CA ALA A 72 9.410 -11.772 -4.726 1.00 0.00 C ATOM 1122 C ALA A 72 10.349 -12.974 -4.854 1.00 0.00 C ATOM 1123 O ALA A 72 11.199 -13.175 -3.985 1.00 0.00 O ATOM 1124 CB ALA A 72 8.050 -12.206 -4.182 1.00 0.00 C ATOM 0 H ALA A 72 8.398 -11.288 -6.503 1.00 0.00 H new ATOM 0 HA ALA A 72 9.859 -11.074 -4.019 1.00 0.00 H new ATOM 0 HB1 ALA A 72 8.186 -12.723 -3.232 1.00 0.00 H new ATOM 0 HB2 ALA A 72 7.422 -11.328 -4.031 1.00 0.00 H new ATOM 0 HB3 ALA A 72 7.570 -12.877 -4.894 1.00 0.00 H new ATOM 1130 N GLY A 73 10.202 -13.765 -5.921 1.00 0.00 N ATOM 1131 CA GLY A 73 10.967 -14.986 -6.137 1.00 0.00 C ATOM 1132 C GLY A 73 10.028 -16.098 -6.577 1.00 0.00 C ATOM 1133 O GLY A 73 9.029 -15.839 -7.256 1.00 0.00 O ATOM 0 H GLY A 73 9.536 -13.567 -6.668 1.00 0.00 H new ATOM 0 HA2 GLY A 73 11.732 -14.820 -6.895 1.00 0.00 H new ATOM 0 HA3 GLY A 73 11.483 -15.272 -5.221 1.00 0.00 H new ATOM 1137 N GLY A 74 10.331 -17.329 -6.167 1.00 0.00 N ATOM 1138 CA GLY A 74 9.459 -18.478 -6.340 1.00 0.00 C ATOM 1139 C GLY A 74 9.165 -19.095 -4.982 1.00 0.00 C ATOM 1140 O GLY A 74 9.982 -19.015 -4.062 1.00 0.00 O ATOM 0 H GLY A 74 11.208 -17.554 -5.697 1.00 0.00 H new ATOM 0 HA2 GLY A 74 8.530 -18.175 -6.823 1.00 0.00 H new ATOM 0 HA3 GLY A 74 9.932 -19.213 -6.991 1.00 0.00 H new ATOM 1144 N LEU A 75 7.994 -19.712 -4.846 1.00 0.00 N ATOM 1145 CA LEU A 75 7.448 -20.202 -3.588 1.00 0.00 C ATOM 1146 C LEU A 75 8.396 -21.180 -2.895 1.00 0.00 C ATOM 1147 O LEU A 75 8.453 -21.208 -1.666 1.00 0.00 O ATOM 1148 CB LEU A 75 6.087 -20.863 -3.873 1.00 0.00 C ATOM 1149 CG LEU A 75 5.291 -21.247 -2.612 1.00 0.00 C ATOM 1150 CD1 LEU A 75 4.949 -20.017 -1.764 1.00 0.00 C ATOM 1151 CD2 LEU A 75 3.987 -21.926 -3.038 1.00 0.00 C ATOM 0 H LEU A 75 7.378 -19.890 -5.640 1.00 0.00 H new ATOM 0 HA LEU A 75 7.320 -19.362 -2.905 1.00 0.00 H new ATOM 0 HB2 LEU A 75 5.485 -20.182 -4.475 1.00 0.00 H new ATOM 0 HB3 LEU A 75 6.250 -21.759 -4.472 1.00 0.00 H new ATOM 0 HG LEU A 75 5.906 -21.918 -2.012 1.00 0.00 H new ATOM 0 HD11 LEU A 75 4.387 -20.327 -0.883 1.00 0.00 H new ATOM 0 HD12 LEU A 75 5.869 -19.523 -1.452 1.00 0.00 H new ATOM 0 HD13 LEU A 75 4.347 -19.325 -2.353 1.00 0.00 H new ATOM 0 HD21 LEU A 75 3.415 -22.203 -2.153 1.00 0.00 H new ATOM 0 HD22 LEU A 75 3.401 -21.239 -3.649 1.00 0.00 H new ATOM 0 HD23 LEU A 75 4.215 -22.821 -3.617 1.00 0.00 H new ATOM 1163 N LYS A 76 9.170 -21.944 -3.675 1.00 0.00 N ATOM 1164 CA LYS A 76 10.161 -22.888 -3.161 1.00 0.00 C ATOM 1165 C LYS A 76 11.295 -22.229 -2.366 1.00 0.00 C ATOM 1166 O LYS A 76 12.007 -22.936 -1.652 1.00 0.00 O ATOM 1167 CB LYS A 76 10.698 -23.750 -4.318 1.00 0.00 C ATOM 1168 CG LYS A 76 11.579 -22.969 -5.314 1.00 0.00 C ATOM 1169 CD LYS A 76 11.890 -23.769 -6.590 1.00 0.00 C ATOM 1170 CE LYS A 76 12.629 -25.098 -6.357 1.00 0.00 C ATOM 1171 NZ LYS A 76 14.011 -24.917 -5.841 1.00 0.00 N ATOM 0 H LYS A 76 9.123 -21.921 -4.694 1.00 0.00 H new ATOM 0 HA LYS A 76 9.653 -23.526 -2.437 1.00 0.00 H new ATOM 0 HB2 LYS A 76 11.276 -24.577 -3.906 1.00 0.00 H new ATOM 0 HB3 LYS A 76 9.856 -24.187 -4.856 1.00 0.00 H new ATOM 0 HG2 LYS A 76 11.076 -22.041 -5.586 1.00 0.00 H new ATOM 0 HG3 LYS A 76 12.514 -22.694 -4.826 1.00 0.00 H new ATOM 0 HD2 LYS A 76 10.954 -23.977 -7.108 1.00 0.00 H new ATOM 0 HD3 LYS A 76 12.491 -23.147 -7.254 1.00 0.00 H new ATOM 0 HE2 LYS A 76 12.061 -25.703 -5.651 1.00 0.00 H new ATOM 0 HE3 LYS A 76 12.668 -25.654 -7.294 1.00 0.00 H new ATOM 0 HZ1 LYS A 76 14.455 -25.847 -5.705 1.00 0.00 H new ATOM 0 HZ2 LYS A 76 14.567 -24.364 -6.524 1.00 0.00 H new ATOM 0 HZ3 LYS A 76 13.979 -24.412 -4.932 1.00 0.00 H new ATOM 1185 N ASP A 77 11.477 -20.911 -2.476 1.00 0.00 N ATOM 1186 CA ASP A 77 12.559 -20.164 -1.829 1.00 0.00 C ATOM 1187 C ASP A 77 12.026 -19.014 -0.966 1.00 0.00 C ATOM 1188 O ASP A 77 12.726 -18.541 -0.069 1.00 0.00 O ATOM 1189 CB ASP A 77 13.510 -19.630 -2.908 1.00 0.00 C ATOM 1190 CG ASP A 77 14.685 -18.844 -2.302 1.00 0.00 C ATOM 1191 OD1 ASP A 77 15.566 -19.462 -1.662 1.00 0.00 O ATOM 1192 OD2 ASP A 77 14.765 -17.612 -2.506 1.00 0.00 O ATOM 0 H ASP A 77 10.860 -20.318 -3.032 1.00 0.00 H new ATOM 0 HA ASP A 77 13.094 -20.839 -1.161 1.00 0.00 H new ATOM 0 HB2 ASP A 77 13.896 -20.463 -3.496 1.00 0.00 H new ATOM 0 HB3 ASP A 77 12.957 -18.986 -3.592 1.00 0.00 H new ATOM 1197 N ILE A 78 10.781 -18.581 -1.193 1.00 0.00 N ATOM 1198 CA ILE A 78 10.126 -17.536 -0.406 1.00 0.00 C ATOM 1199 C ILE A 78 9.930 -18.058 1.024 1.00 0.00 C ATOM 1200 O ILE A 78 9.413 -19.162 1.224 1.00 0.00 O ATOM 1201 CB ILE A 78 8.812 -17.108 -1.110 1.00 0.00 C ATOM 1202 CG1 ILE A 78 9.166 -16.267 -2.359 1.00 0.00 C ATOM 1203 CG2 ILE A 78 7.867 -16.307 -0.194 1.00 0.00 C ATOM 1204 CD1 ILE A 78 7.990 -16.019 -3.306 1.00 0.00 C ATOM 0 H ILE A 78 10.194 -18.953 -1.939 1.00 0.00 H new ATOM 0 HA ILE A 78 10.736 -16.635 -0.336 1.00 0.00 H new ATOM 0 HB ILE A 78 8.278 -18.017 -1.388 1.00 0.00 H new ATOM 0 HG12 ILE A 78 9.565 -15.306 -2.034 1.00 0.00 H new ATOM 0 HG13 ILE A 78 9.960 -16.772 -2.909 1.00 0.00 H new ATOM 0 HG21 ILE A 78 6.967 -16.038 -0.746 1.00 0.00 H new ATOM 0 HG22 ILE A 78 7.595 -16.915 0.669 1.00 0.00 H new ATOM 0 HG23 ILE A 78 8.370 -15.401 0.144 1.00 0.00 H new ATOM 0 HD11 ILE A 78 8.325 -15.422 -4.154 1.00 0.00 H new ATOM 0 HD12 ILE A 78 7.604 -16.973 -3.664 1.00 0.00 H new ATOM 0 HD13 ILE A 78 7.202 -15.485 -2.775 1.00 0.00 H new ATOM 1216 N ALA A 79 10.282 -17.240 2.022 1.00 0.00 N ATOM 1217 CA ALA A 79 10.254 -17.603 3.442 1.00 0.00 C ATOM 1218 C ALA A 79 9.124 -16.897 4.204 1.00 0.00 C ATOM 1219 O ALA A 79 9.181 -16.730 5.424 1.00 0.00 O ATOM 1220 CB ALA A 79 11.640 -17.362 4.055 1.00 0.00 C ATOM 0 H ALA A 79 10.602 -16.285 1.860 1.00 0.00 H new ATOM 0 HA ALA A 79 10.025 -18.665 3.531 1.00 0.00 H new ATOM 0 HB1 ALA A 79 11.623 -17.631 5.111 1.00 0.00 H new ATOM 0 HB2 ALA A 79 12.378 -17.974 3.537 1.00 0.00 H new ATOM 0 HB3 ALA A 79 11.905 -16.310 3.953 1.00 0.00 H new ATOM 1226 N MET A 80 8.095 -16.482 3.468 1.00 0.00 N ATOM 1227 CA MET A 80 6.837 -16.000 4.037 1.00 0.00 C ATOM 1228 C MET A 80 6.053 -17.200 4.593 1.00 0.00 C ATOM 1229 O MET A 80 6.250 -18.318 4.098 1.00 0.00 O ATOM 1230 CB MET A 80 5.997 -15.292 2.963 1.00 0.00 C ATOM 1231 CG MET A 80 6.620 -13.981 2.469 1.00 0.00 C ATOM 1232 SD MET A 80 6.706 -12.641 3.692 1.00 0.00 S ATOM 1233 CE MET A 80 4.956 -12.166 3.780 1.00 0.00 C ATOM 0 H MET A 80 8.111 -16.471 2.448 1.00 0.00 H new ATOM 0 HA MET A 80 7.052 -15.288 4.834 1.00 0.00 H new ATOM 0 HB2 MET A 80 5.863 -15.964 2.115 1.00 0.00 H new ATOM 0 HB3 MET A 80 5.005 -15.085 3.366 1.00 0.00 H new ATOM 0 HG2 MET A 80 7.629 -14.190 2.115 1.00 0.00 H new ATOM 0 HG3 MET A 80 6.048 -13.629 1.611 1.00 0.00 H new ATOM 0 HE1 MET A 80 4.848 -11.293 4.423 1.00 0.00 H new ATOM 0 HE2 MET A 80 4.593 -11.927 2.780 1.00 0.00 H new ATOM 0 HE3 MET A 80 4.375 -12.992 4.189 1.00 0.00 H new ATOM 1243 N PRO A 81 5.147 -16.995 5.570 1.00 0.00 N ATOM 1244 CA PRO A 81 4.210 -18.020 6.021 1.00 0.00 C ATOM 1245 C PRO A 81 3.433 -18.637 4.854 1.00 0.00 C ATOM 1246 O PRO A 81 3.073 -17.940 3.898 1.00 0.00 O ATOM 1247 CB PRO A 81 3.265 -17.321 7.005 1.00 0.00 C ATOM 1248 CG PRO A 81 4.089 -16.145 7.522 1.00 0.00 C ATOM 1249 CD PRO A 81 4.930 -15.758 6.308 1.00 0.00 C ATOM 0 HA PRO A 81 4.739 -18.849 6.492 1.00 0.00 H new ATOM 0 HB2 PRO A 81 2.352 -16.985 6.514 1.00 0.00 H new ATOM 0 HB3 PRO A 81 2.965 -17.987 7.814 1.00 0.00 H new ATOM 0 HG2 PRO A 81 3.455 -15.322 7.853 1.00 0.00 H new ATOM 0 HG3 PRO A 81 4.711 -16.430 8.370 1.00 0.00 H new ATOM 0 HD2 PRO A 81 4.414 -15.020 5.693 1.00 0.00 H new ATOM 0 HD3 PRO A 81 5.877 -15.313 6.613 1.00 0.00 H new ATOM 1257 N LYS A 82 3.130 -19.933 4.951 1.00 0.00 N ATOM 1258 CA LYS A 82 2.398 -20.668 3.923 1.00 0.00 C ATOM 1259 C LYS A 82 1.012 -21.039 4.430 1.00 0.00 C ATOM 1260 O LYS A 82 0.756 -21.077 5.635 1.00 0.00 O ATOM 1261 CB LYS A 82 3.125 -21.976 3.539 1.00 0.00 C ATOM 1262 CG LYS A 82 4.601 -21.855 3.144 1.00 0.00 C ATOM 1263 CD LYS A 82 4.832 -20.874 1.985 1.00 0.00 C ATOM 1264 CE LYS A 82 6.284 -20.877 1.482 1.00 0.00 C ATOM 1265 NZ LYS A 82 7.262 -20.470 2.521 1.00 0.00 N ATOM 0 H LYS A 82 3.389 -20.506 5.754 1.00 0.00 H new ATOM 0 HA LYS A 82 2.331 -20.018 3.050 1.00 0.00 H new ATOM 0 HB2 LYS A 82 3.054 -22.664 4.381 1.00 0.00 H new ATOM 0 HB3 LYS A 82 2.587 -22.432 2.708 1.00 0.00 H new ATOM 0 HG2 LYS A 82 5.178 -21.529 4.010 1.00 0.00 H new ATOM 0 HG3 LYS A 82 4.978 -22.838 2.862 1.00 0.00 H new ATOM 0 HD2 LYS A 82 4.166 -21.130 1.161 1.00 0.00 H new ATOM 0 HD3 LYS A 82 4.567 -19.868 2.309 1.00 0.00 H new ATOM 0 HE2 LYS A 82 6.536 -21.876 1.126 1.00 0.00 H new ATOM 0 HE3 LYS A 82 6.368 -20.203 0.629 1.00 0.00 H new ATOM 0 HZ1 LYS A 82 8.114 -20.085 2.064 1.00 0.00 H new ATOM 0 HZ2 LYS A 82 6.838 -19.742 3.131 1.00 0.00 H new ATOM 0 HZ3 LYS A 82 7.521 -21.296 3.097 1.00 0.00 H new ATOM 1279 N VAL A 83 0.159 -21.399 3.484 1.00 0.00 N ATOM 1280 CA VAL A 83 -1.113 -22.067 3.676 1.00 0.00 C ATOM 1281 C VAL A 83 -1.041 -23.216 2.667 1.00 0.00 C ATOM 1282 O VAL A 83 -0.487 -23.053 1.574 1.00 0.00 O ATOM 1283 CB VAL A 83 -2.277 -21.082 3.444 1.00 0.00 C ATOM 1284 CG1 VAL A 83 -3.645 -21.777 3.515 1.00 0.00 C ATOM 1285 CG2 VAL A 83 -2.266 -19.950 4.485 1.00 0.00 C ATOM 0 H VAL A 83 0.352 -21.219 2.499 1.00 0.00 H new ATOM 0 HA VAL A 83 -1.295 -22.440 4.684 1.00 0.00 H new ATOM 0 HB VAL A 83 -2.130 -20.675 2.443 1.00 0.00 H new ATOM 0 HG11 VAL A 83 -4.434 -21.045 3.346 1.00 0.00 H new ATOM 0 HG12 VAL A 83 -3.699 -22.552 2.751 1.00 0.00 H new ATOM 0 HG13 VAL A 83 -3.773 -22.228 4.499 1.00 0.00 H new ATOM 0 HG21 VAL A 83 -3.098 -19.272 4.295 1.00 0.00 H new ATOM 0 HG22 VAL A 83 -2.364 -20.374 5.484 1.00 0.00 H new ATOM 0 HG23 VAL A 83 -1.327 -19.400 4.415 1.00 0.00 H new ATOM 1295 N LYS A 84 -1.535 -24.394 3.047 1.00 0.00 N ATOM 1296 CA LYS A 84 -1.338 -25.637 2.307 1.00 0.00 C ATOM 1297 C LYS A 84 -2.698 -26.276 2.040 1.00 0.00 C ATOM 1298 O LYS A 84 -3.627 -26.111 2.838 1.00 0.00 O ATOM 1299 CB LYS A 84 -0.441 -26.589 3.119 1.00 0.00 C ATOM 1300 CG LYS A 84 1.000 -26.090 3.362 1.00 0.00 C ATOM 1301 CD LYS A 84 1.694 -27.021 4.372 1.00 0.00 C ATOM 1302 CE LYS A 84 3.123 -26.590 4.735 1.00 0.00 C ATOM 1303 NZ LYS A 84 4.119 -26.926 3.690 1.00 0.00 N ATOM 0 H LYS A 84 -2.093 -24.512 3.893 1.00 0.00 H new ATOM 0 HA LYS A 84 -0.847 -25.431 1.356 1.00 0.00 H new ATOM 0 HB2 LYS A 84 -0.913 -26.771 4.085 1.00 0.00 H new ATOM 0 HB3 LYS A 84 -0.394 -27.547 2.602 1.00 0.00 H new ATOM 0 HG2 LYS A 84 1.555 -26.073 2.424 1.00 0.00 H new ATOM 0 HG3 LYS A 84 0.985 -25.068 3.742 1.00 0.00 H new ATOM 0 HD2 LYS A 84 1.096 -27.064 5.282 1.00 0.00 H new ATOM 0 HD3 LYS A 84 1.723 -28.030 3.961 1.00 0.00 H new ATOM 0 HE2 LYS A 84 3.138 -25.514 4.909 1.00 0.00 H new ATOM 0 HE3 LYS A 84 3.413 -27.068 5.671 1.00 0.00 H new ATOM 0 HZ1 LYS A 84 5.077 -26.751 4.054 1.00 0.00 H new ATOM 0 HZ2 LYS A 84 4.025 -27.929 3.431 1.00 0.00 H new ATOM 0 HZ3 LYS A 84 3.954 -26.335 2.851 1.00 0.00 H new ATOM 1317 N GLY A 85 -2.791 -27.041 0.951 1.00 0.00 N ATOM 1318 CA GLY A 85 -4.045 -27.593 0.459 1.00 0.00 C ATOM 1319 C GLY A 85 -5.078 -26.484 0.275 1.00 0.00 C ATOM 1320 O GLY A 85 -4.714 -25.396 -0.217 1.00 0.00 O ATOM 1321 OXT GLY A 85 -6.253 -26.710 0.630 1.00 0.00 O ATOM 0 H GLY A 85 -1.984 -27.295 0.381 1.00 0.00 H new ATOM 0 HA2 GLY A 85 -3.878 -28.104 -0.489 1.00 0.00 H new ATOM 0 HA3 GLY A 85 -4.422 -28.337 1.160 1.00 0.00 H new TER 1325 GLY A 85