USER MOD reduce.3.24.130724 H: found=0, std=0, add=665, rem=0, adj=17 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 43 THR OG1 : rot 84:sc= 1.37 USER MOD Set 1.2: A 68 HIS : no HE2:sc= 0.801 K(o=2.2,f=-3.9!) USER MOD Set 2.1: A 48 CYS SG : rot -79:sc= 1.14 USER MOD Set 2.2: A 54 SER OG : rot -168:sc= 1.97 USER MOD Set 2.3: A 71 ASN : amide:sc= -0.184 K(o=2.9,f=0.34!) USER MOD Set 3.1: A 41 ASN : amide:sc= 0.977 K(o=0.99,f=-0.031) USER MOD Set 3.2: A 67 THR OG1 : rot 180:sc= 0.00874 USER MOD Set 4.1: A 12 GLN : amide:sc= 1 K(o=1.9,f=-5!) USER MOD Set 4.2: A 49 ASN : amide:sc= 0.939 K(o=1.9,f=0.16) USER MOD Single : A 1 ALA N :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 3 HIS : no HD1:sc= 0 X(o=0,f=0) USER MOD Single : A 13 TYR OH : rot 180:sc= 0 USER MOD Single : A 14 GLN : amide:sc= 0.869 K(o=0.87,f=0) USER MOD Single : A 15 GLN : amide:sc= 0.705 K(o=0.7,f=0) USER MOD Single : A 17 HIS : no HE2:sc= 1.08 K(o=1.1,f=-3.3!) USER MOD Single : A 19 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 23 ASN : amide:sc= 0.92 K(o=0.92,f=-1) 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= 0.00918 USER MOD Single : A 40 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 45 LYS NZ :NH3+ 152:sc= 1.25 (180deg=0.971) USER MOD Single : A 47 TYR OH : rot 166:sc= 0.329 USER MOD Single : A 53 GLN : amide:sc= 0.988 K(o=0.99,f=0) USER MOD Single : A 56 GLN : amide:sc= 0.267 X(o=0.27,f=-0.065) USER MOD Single : A 58 LYS NZ :NH3+ -177:sc= 0 (180deg=-0.0129) USER MOD Single : A 62 SER OG : rot 86:sc= 1.27 USER MOD Single : A 64 MET CE :methyl 173:sc=-0.000198 (180deg=-0.0697) USER MOD Single : A 66 TYR OH : rot -172:sc= 1.34 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=-0.0179) USER MOD Single : A 82 LYS NZ :NH3+ 178:sc= 1.59 (180deg=1.51) USER MOD Single : A 84 LYS NZ :NH3+ 171:sc= 1.25 (180deg=1.15) USER MOD ----------------------------------------------------------------- ATOM 1 N ALA A 1 -0.602 -0.449 1.026 1.00 0.00 N ATOM 2 CA ALA A 1 -0.382 -0.514 -0.438 1.00 0.00 C ATOM 3 C ALA A 1 0.568 -1.669 -0.788 1.00 0.00 C ATOM 4 O ALA A 1 1.695 -1.440 -1.234 1.00 0.00 O ATOM 5 CB ALA A 1 0.117 0.842 -0.978 1.00 0.00 C ATOM 0 H1 ALA A 1 -1.246 0.337 1.246 1.00 0.00 H new ATOM 0 H2 ALA A 1 -1.021 -1.342 1.354 1.00 0.00 H new ATOM 0 H3 ALA A 1 0.307 -0.296 1.507 1.00 0.00 H new ATOM 0 HA ALA A 1 -1.333 -0.719 -0.929 1.00 0.00 H new ATOM 0 HB1 ALA A 1 0.272 0.770 -2.055 1.00 0.00 H new ATOM 0 HB2 ALA A 1 -0.625 1.612 -0.768 1.00 0.00 H new ATOM 0 HB3 ALA A 1 1.058 1.103 -0.493 1.00 0.00 H new ATOM 13 N GLU A 2 0.135 -2.922 -0.614 1.00 0.00 N ATOM 14 CA GLU A 2 0.876 -4.116 -1.007 1.00 0.00 C ATOM 15 C GLU A 2 -0.142 -5.234 -1.268 1.00 0.00 C ATOM 16 O GLU A 2 -1.165 -5.310 -0.579 1.00 0.00 O ATOM 17 CB GLU A 2 1.830 -4.518 0.142 1.00 0.00 C ATOM 18 CG GLU A 2 2.679 -5.773 -0.132 1.00 0.00 C ATOM 19 CD GLU A 2 3.487 -6.206 1.103 1.00 0.00 C ATOM 20 OE1 GLU A 2 4.608 -5.690 1.310 1.00 0.00 O ATOM 21 OE2 GLU A 2 3.034 -7.106 1.846 1.00 0.00 O ATOM 0 H GLU A 2 -0.765 -3.135 -0.184 1.00 0.00 H new ATOM 0 HA GLU A 2 1.467 -3.934 -1.905 1.00 0.00 H new ATOM 0 HB2 GLU A 2 2.499 -3.682 0.349 1.00 0.00 H new ATOM 0 HB3 GLU A 2 1.240 -4.685 1.043 1.00 0.00 H new ATOM 0 HG2 GLU A 2 2.028 -6.590 -0.443 1.00 0.00 H new ATOM 0 HG3 GLU A 2 3.360 -5.576 -0.960 1.00 0.00 H new ATOM 28 N HIS A 3 0.178 -6.128 -2.201 1.00 0.00 N ATOM 29 CA HIS A 3 -0.489 -7.401 -2.433 1.00 0.00 C ATOM 30 C HIS A 3 0.600 -8.389 -2.835 1.00 0.00 C ATOM 31 O HIS A 3 1.623 -7.994 -3.394 1.00 0.00 O ATOM 32 CB HIS A 3 -1.519 -7.332 -3.571 1.00 0.00 C ATOM 33 CG HIS A 3 -2.733 -6.480 -3.300 1.00 0.00 C ATOM 34 ND1 HIS A 3 -3.749 -6.751 -2.409 1.00 0.00 N ATOM 35 CD2 HIS A 3 -3.072 -5.329 -3.959 1.00 0.00 C ATOM 36 CE1 HIS A 3 -4.670 -5.778 -2.522 1.00 0.00 C ATOM 37 NE2 HIS A 3 -4.305 -4.884 -3.461 1.00 0.00 N ATOM 0 H HIS A 3 0.951 -5.973 -2.848 1.00 0.00 H new ATOM 0 HA HIS A 3 -1.026 -7.691 -1.530 1.00 0.00 H new ATOM 0 HB2 HIS A 3 -1.022 -6.952 -4.464 1.00 0.00 H new ATOM 0 HB3 HIS A 3 -1.851 -8.345 -3.798 1.00 0.00 H new ATOM 0 HD2 HIS A 3 -2.490 -4.847 -4.730 1.00 0.00 H new ATOM 0 HE1 HIS A 3 -5.578 -5.721 -1.940 1.00 0.00 H new ATOM 0 HE2 HIS A 3 -4.820 -4.053 -3.751 1.00 0.00 H new ATOM 45 N TRP A 4 0.354 -9.680 -2.634 1.00 0.00 N ATOM 46 CA TRP A 4 1.224 -10.737 -3.120 1.00 0.00 C ATOM 47 C TRP A 4 0.383 -11.521 -4.113 1.00 0.00 C ATOM 48 O TRP A 4 -0.717 -11.958 -3.759 1.00 0.00 O ATOM 49 CB TRP A 4 1.666 -11.633 -1.957 1.00 0.00 C ATOM 50 CG TRP A 4 2.581 -11.012 -0.944 1.00 0.00 C ATOM 51 CD1 TRP A 4 2.243 -10.024 -0.085 1.00 0.00 C ATOM 52 CD2 TRP A 4 3.976 -11.333 -0.643 1.00 0.00 C ATOM 53 NE1 TRP A 4 3.320 -9.698 0.707 1.00 0.00 N ATOM 54 CE2 TRP A 4 4.410 -10.496 0.432 1.00 0.00 C ATOM 55 CE3 TRP A 4 4.920 -12.251 -1.161 1.00 0.00 C ATOM 56 CZ2 TRP A 4 5.705 -10.570 0.967 1.00 0.00 C ATOM 57 CZ3 TRP A 4 6.218 -12.338 -0.622 1.00 0.00 C ATOM 58 CH2 TRP A 4 6.613 -11.499 0.435 1.00 0.00 C ATOM 0 H TRP A 4 -0.462 -10.021 -2.125 1.00 0.00 H new ATOM 0 HA TRP A 4 2.131 -10.346 -3.581 1.00 0.00 H new ATOM 0 HB2 TRP A 4 0.774 -11.986 -1.440 1.00 0.00 H new ATOM 0 HB3 TRP A 4 2.162 -12.511 -2.372 1.00 0.00 H new ATOM 0 HD1 TRP A 4 1.270 -9.559 -0.029 1.00 0.00 H new ATOM 0 HE1 TRP A 4 3.313 -8.959 1.410 1.00 0.00 H new ATOM 0 HE3 TRP A 4 4.641 -12.895 -1.982 1.00 0.00 H new ATOM 0 HZ2 TRP A 4 6.000 -9.920 1.778 1.00 0.00 H new ATOM 0 HZ3 TRP A 4 6.917 -13.056 -1.024 1.00 0.00 H new ATOM 0 HH2 TRP A 4 7.613 -11.569 0.837 1.00 0.00 H new ATOM 69 N ILE A 5 0.871 -11.690 -5.339 1.00 0.00 N ATOM 70 CA ILE A 5 0.117 -12.316 -6.413 1.00 0.00 C ATOM 71 C ILE A 5 0.947 -13.504 -6.883 1.00 0.00 C ATOM 72 O ILE A 5 2.062 -13.354 -7.385 1.00 0.00 O ATOM 73 CB ILE A 5 -0.213 -11.331 -7.563 1.00 0.00 C ATOM 74 CG1 ILE A 5 -0.729 -9.941 -7.121 1.00 0.00 C ATOM 75 CG2 ILE A 5 -1.233 -11.984 -8.517 1.00 0.00 C ATOM 76 CD1 ILE A 5 -2.084 -9.903 -6.409 1.00 0.00 C ATOM 0 H ILE A 5 1.807 -11.393 -5.614 1.00 0.00 H new ATOM 0 HA ILE A 5 -0.859 -12.645 -6.055 1.00 0.00 H new ATOM 0 HB ILE A 5 0.737 -11.136 -8.060 1.00 0.00 H new ATOM 0 HG12 ILE A 5 0.015 -9.497 -6.460 1.00 0.00 H new ATOM 0 HG13 ILE A 5 -0.791 -9.305 -8.004 1.00 0.00 H new ATOM 0 HG21 ILE A 5 -1.467 -11.293 -9.327 1.00 0.00 H new ATOM 0 HG22 ILE A 5 -0.810 -12.899 -8.931 1.00 0.00 H new ATOM 0 HG23 ILE A 5 -2.144 -12.222 -7.968 1.00 0.00 H new ATOM 0 HD11 ILE A 5 -2.331 -8.873 -6.152 1.00 0.00 H new ATOM 0 HD12 ILE A 5 -2.853 -10.307 -7.068 1.00 0.00 H new ATOM 0 HD13 ILE A 5 -2.034 -10.502 -5.500 1.00 0.00 H new ATOM 88 N ASP A 6 0.395 -14.689 -6.671 1.00 0.00 N ATOM 89 CA ASP A 6 0.858 -15.941 -7.230 1.00 0.00 C ATOM 90 C ASP A 6 0.524 -15.899 -8.726 1.00 0.00 C ATOM 91 O ASP A 6 -0.655 -15.788 -9.076 1.00 0.00 O ATOM 92 CB ASP A 6 0.098 -17.060 -6.512 1.00 0.00 C ATOM 93 CG ASP A 6 0.467 -18.454 -6.996 1.00 0.00 C ATOM 94 OD1 ASP A 6 0.260 -18.740 -8.191 1.00 0.00 O ATOM 95 OD2 ASP A 6 0.898 -19.283 -6.165 1.00 0.00 O ATOM 0 H ASP A 6 -0.426 -14.805 -6.076 1.00 0.00 H new ATOM 0 HA ASP A 6 1.928 -16.108 -7.105 1.00 0.00 H new ATOM 0 HB2 ASP A 6 0.294 -16.992 -5.442 1.00 0.00 H new ATOM 0 HB3 ASP A 6 -0.972 -16.908 -6.650 1.00 0.00 H new ATOM 100 N VAL A 7 1.539 -15.948 -9.596 1.00 0.00 N ATOM 101 CA VAL A 7 1.395 -15.831 -11.053 1.00 0.00 C ATOM 102 C VAL A 7 1.859 -17.092 -11.791 1.00 0.00 C ATOM 103 O VAL A 7 1.925 -17.102 -13.024 1.00 0.00 O ATOM 104 CB VAL A 7 2.046 -14.532 -11.590 1.00 0.00 C ATOM 105 CG1 VAL A 7 1.504 -13.280 -10.887 1.00 0.00 C ATOM 106 CG2 VAL A 7 3.581 -14.508 -11.496 1.00 0.00 C ATOM 0 H VAL A 7 2.507 -16.073 -9.300 1.00 0.00 H new ATOM 0 HA VAL A 7 0.329 -15.748 -11.266 1.00 0.00 H new ATOM 0 HB VAL A 7 1.772 -14.523 -12.645 1.00 0.00 H new ATOM 0 HG11 VAL A 7 1.989 -12.394 -11.296 1.00 0.00 H new ATOM 0 HG12 VAL A 7 0.428 -13.210 -11.046 1.00 0.00 H new ATOM 0 HG13 VAL A 7 1.709 -13.345 -9.818 1.00 0.00 H new ATOM 0 HG21 VAL A 7 3.955 -13.564 -11.893 1.00 0.00 H new ATOM 0 HG22 VAL A 7 3.883 -14.609 -10.454 1.00 0.00 H new ATOM 0 HG23 VAL A 7 3.994 -15.334 -12.075 1.00 0.00 H new ATOM 116 N ARG A 8 2.196 -18.155 -11.053 1.00 0.00 N ATOM 117 CA ARG A 8 2.435 -19.487 -11.615 1.00 0.00 C ATOM 118 C ARG A 8 1.086 -20.115 -12.007 1.00 0.00 C ATOM 119 O ARG A 8 0.030 -19.490 -11.865 1.00 0.00 O ATOM 120 CB ARG A 8 3.260 -20.356 -10.641 1.00 0.00 C ATOM 121 CG ARG A 8 2.592 -20.447 -9.280 1.00 0.00 C ATOM 122 CD ARG A 8 3.236 -21.449 -8.334 1.00 0.00 C ATOM 123 NE ARG A 8 2.575 -21.255 -7.054 1.00 0.00 N ATOM 124 CZ ARG A 8 2.652 -21.954 -5.926 1.00 0.00 C ATOM 125 NH1 ARG A 8 3.466 -23.000 -5.807 1.00 0.00 N ATOM 126 NH2 ARG A 8 1.863 -21.562 -4.938 1.00 0.00 N ATOM 0 H ARG A 8 2.311 -18.114 -10.040 1.00 0.00 H new ATOM 0 HA ARG A 8 3.038 -19.413 -12.520 1.00 0.00 H new ATOM 0 HB2 ARG A 8 3.381 -21.356 -11.056 1.00 0.00 H new ATOM 0 HB3 ARG A 8 4.259 -19.934 -10.531 1.00 0.00 H new ATOM 0 HG2 ARG A 8 2.608 -19.462 -8.814 1.00 0.00 H new ATOM 0 HG3 ARG A 8 1.545 -20.717 -9.419 1.00 0.00 H new ATOM 0 HD2 ARG A 8 3.103 -22.469 -8.694 1.00 0.00 H new ATOM 0 HD3 ARG A 8 4.309 -21.277 -8.252 1.00 0.00 H new ATOM 0 HE ARG A 8 1.949 -20.450 -7.015 1.00 0.00 H new ATOM 0 HH11 ARG A 8 4.051 -23.283 -6.593 1.00 0.00 H new ATOM 0 HH12 ARG A 8 3.505 -23.519 -4.930 1.00 0.00 H new ATOM 0 HH21 ARG A 8 1.242 -20.764 -5.068 1.00 0.00 H new ATOM 0 HH22 ARG A 8 1.876 -22.058 -4.047 1.00 0.00 H new ATOM 140 N VAL A 9 1.113 -21.352 -12.508 1.00 0.00 N ATOM 141 CA VAL A 9 -0.105 -22.108 -12.794 1.00 0.00 C ATOM 142 C VAL A 9 -0.958 -22.229 -11.516 1.00 0.00 C ATOM 143 O VAL A 9 -0.402 -22.401 -10.425 1.00 0.00 O ATOM 144 CB VAL A 9 0.235 -23.483 -13.415 1.00 0.00 C ATOM 145 CG1 VAL A 9 0.890 -23.304 -14.793 1.00 0.00 C ATOM 146 CG2 VAL A 9 1.146 -24.360 -12.537 1.00 0.00 C ATOM 0 H VAL A 9 1.974 -21.854 -12.725 1.00 0.00 H new ATOM 0 HA VAL A 9 -0.699 -21.573 -13.535 1.00 0.00 H new ATOM 0 HB VAL A 9 -0.718 -24.004 -13.504 1.00 0.00 H new ATOM 0 HG11 VAL A 9 1.122 -24.282 -15.215 1.00 0.00 H new ATOM 0 HG12 VAL A 9 0.204 -22.776 -15.456 1.00 0.00 H new ATOM 0 HG13 VAL A 9 1.809 -22.727 -14.687 1.00 0.00 H new ATOM 0 HG21 VAL A 9 1.337 -25.306 -13.043 1.00 0.00 H new ATOM 0 HG22 VAL A 9 2.090 -23.844 -12.363 1.00 0.00 H new ATOM 0 HG23 VAL A 9 0.656 -24.551 -11.582 1.00 0.00 H new ATOM 156 N PRO A 10 -2.299 -22.174 -11.621 1.00 0.00 N ATOM 157 CA PRO A 10 -3.174 -22.137 -10.455 1.00 0.00 C ATOM 158 C PRO A 10 -3.184 -23.459 -9.685 1.00 0.00 C ATOM 159 O PRO A 10 -3.503 -23.462 -8.496 1.00 0.00 O ATOM 160 CB PRO A 10 -4.561 -21.782 -11.002 1.00 0.00 C ATOM 161 CG PRO A 10 -4.531 -22.320 -12.430 1.00 0.00 C ATOM 162 CD PRO A 10 -3.082 -22.079 -12.847 1.00 0.00 C ATOM 0 HA PRO A 10 -2.827 -21.404 -9.727 1.00 0.00 H new ATOM 0 HB2 PRO A 10 -5.354 -22.245 -10.415 1.00 0.00 H new ATOM 0 HB3 PRO A 10 -4.737 -20.706 -10.982 1.00 0.00 H new ATOM 0 HG2 PRO A 10 -4.794 -23.377 -12.470 1.00 0.00 H new ATOM 0 HG3 PRO A 10 -5.232 -21.792 -13.077 1.00 0.00 H new ATOM 0 HD2 PRO A 10 -2.756 -22.819 -13.578 1.00 0.00 H new ATOM 0 HD3 PRO A 10 -2.966 -21.100 -13.311 1.00 0.00 H new ATOM 170 N GLU A 11 -2.828 -24.576 -10.327 1.00 0.00 N ATOM 171 CA GLU A 11 -2.865 -25.905 -9.722 1.00 0.00 C ATOM 172 C GLU A 11 -1.958 -25.979 -8.491 1.00 0.00 C ATOM 173 O GLU A 11 -2.335 -26.592 -7.490 1.00 0.00 O ATOM 174 CB GLU A 11 -2.444 -26.962 -10.759 1.00 0.00 C ATOM 175 CG GLU A 11 -3.385 -27.057 -11.971 1.00 0.00 C ATOM 176 CD GLU A 11 -4.803 -27.523 -11.588 1.00 0.00 C ATOM 177 OE1 GLU A 11 -5.019 -28.743 -11.409 1.00 0.00 O ATOM 178 OE2 GLU A 11 -5.720 -26.679 -11.484 1.00 0.00 O ATOM 0 H GLU A 11 -2.502 -24.579 -11.294 1.00 0.00 H new ATOM 0 HA GLU A 11 -3.886 -26.105 -9.397 1.00 0.00 H new ATOM 0 HB2 GLU A 11 -1.438 -26.732 -11.110 1.00 0.00 H new ATOM 0 HB3 GLU A 11 -2.396 -27.936 -10.272 1.00 0.00 H new ATOM 0 HG2 GLU A 11 -3.446 -26.083 -12.456 1.00 0.00 H new ATOM 0 HG3 GLU A 11 -2.964 -27.750 -12.699 1.00 0.00 H new ATOM 185 N GLN A 12 -0.789 -25.326 -8.533 1.00 0.00 N ATOM 186 CA GLN A 12 0.142 -25.334 -7.410 1.00 0.00 C ATOM 187 C GLN A 12 -0.384 -24.489 -6.248 1.00 0.00 C ATOM 188 O GLN A 12 -0.182 -24.861 -5.094 1.00 0.00 O ATOM 189 CB GLN A 12 1.521 -24.818 -7.820 1.00 0.00 C ATOM 190 CG GLN A 12 2.292 -25.703 -8.809 1.00 0.00 C ATOM 191 CD GLN A 12 3.727 -25.208 -9.033 1.00 0.00 C ATOM 192 OE1 GLN A 12 4.321 -24.515 -8.201 1.00 0.00 O ATOM 193 NE2 GLN A 12 4.321 -25.540 -10.167 1.00 0.00 N ATOM 0 H GLN A 12 -0.470 -24.786 -9.337 1.00 0.00 H new ATOM 0 HA GLN A 12 0.234 -26.371 -7.087 1.00 0.00 H new ATOM 0 HB2 GLN A 12 1.403 -23.828 -8.261 1.00 0.00 H new ATOM 0 HB3 GLN A 12 2.126 -24.696 -6.921 1.00 0.00 H new ATOM 0 HG2 GLN A 12 2.317 -26.727 -8.435 1.00 0.00 H new ATOM 0 HG3 GLN A 12 1.764 -25.725 -9.762 1.00 0.00 H new ATOM 0 HE21 GLN A 12 3.828 -26.112 -10.852 1.00 0.00 H new ATOM 0 HE22 GLN A 12 5.272 -25.224 -10.356 1.00 0.00 H new ATOM 202 N TYR A 13 -1.091 -23.386 -6.526 1.00 0.00 N ATOM 203 CA TYR A 13 -1.702 -22.561 -5.485 1.00 0.00 C ATOM 204 C TYR A 13 -2.727 -23.377 -4.691 1.00 0.00 C ATOM 205 O TYR A 13 -2.869 -23.169 -3.485 1.00 0.00 O ATOM 206 CB TYR A 13 -2.329 -21.309 -6.115 1.00 0.00 C ATOM 207 CG TYR A 13 -3.011 -20.354 -5.149 1.00 0.00 C ATOM 208 CD1 TYR A 13 -4.378 -20.511 -4.847 1.00 0.00 C ATOM 209 CD2 TYR A 13 -2.304 -19.263 -4.608 1.00 0.00 C ATOM 210 CE1 TYR A 13 -5.040 -19.578 -4.031 1.00 0.00 C ATOM 211 CE2 TYR A 13 -2.962 -18.313 -3.807 1.00 0.00 C ATOM 212 CZ TYR A 13 -4.336 -18.466 -3.514 1.00 0.00 C ATOM 213 OH TYR A 13 -4.971 -17.534 -2.750 1.00 0.00 O ATOM 0 H TYR A 13 -1.253 -23.045 -7.474 1.00 0.00 H new ATOM 0 HA TYR A 13 -0.935 -22.234 -4.783 1.00 0.00 H new ATOM 0 HB2 TYR A 13 -1.549 -20.763 -6.646 1.00 0.00 H new ATOM 0 HB3 TYR A 13 -3.059 -21.627 -6.859 1.00 0.00 H new ATOM 0 HD1 TYR A 13 -4.921 -21.355 -5.246 1.00 0.00 H new ATOM 0 HD2 TYR A 13 -1.249 -19.155 -4.810 1.00 0.00 H new ATOM 0 HE1 TYR A 13 -6.086 -19.710 -3.799 1.00 0.00 H new ATOM 0 HE2 TYR A 13 -2.417 -17.466 -3.416 1.00 0.00 H new ATOM 0 HH TYR A 13 -4.332 -16.841 -2.481 1.00 0.00 H new ATOM 223 N GLN A 14 -3.405 -24.344 -5.328 1.00 0.00 N ATOM 224 CA GLN A 14 -4.325 -25.233 -4.621 1.00 0.00 C ATOM 225 C GLN A 14 -3.579 -26.159 -3.645 1.00 0.00 C ATOM 226 O GLN A 14 -4.202 -26.677 -2.719 1.00 0.00 O ATOM 227 CB GLN A 14 -5.170 -26.090 -5.585 1.00 0.00 C ATOM 228 CG GLN A 14 -5.749 -25.386 -6.821 1.00 0.00 C ATOM 229 CD GLN A 14 -6.449 -24.059 -6.523 1.00 0.00 C ATOM 230 OE1 GLN A 14 -7.416 -23.996 -5.767 1.00 0.00 O ATOM 231 NE2 GLN A 14 -5.981 -22.972 -7.117 1.00 0.00 N ATOM 0 H GLN A 14 -3.330 -24.526 -6.329 1.00 0.00 H new ATOM 0 HA GLN A 14 -4.995 -24.582 -4.059 1.00 0.00 H new ATOM 0 HB2 GLN A 14 -4.554 -26.922 -5.927 1.00 0.00 H new ATOM 0 HB3 GLN A 14 -5.998 -26.518 -5.020 1.00 0.00 H new ATOM 0 HG2 GLN A 14 -4.943 -25.206 -7.532 1.00 0.00 H new ATOM 0 HG3 GLN A 14 -6.459 -26.056 -7.307 1.00 0.00 H new ATOM 0 HE21 GLN A 14 -5.178 -23.038 -7.742 1.00 0.00 H new ATOM 0 HE22 GLN A 14 -6.424 -22.069 -6.949 1.00 0.00 H new ATOM 240 N GLN A 15 -2.275 -26.396 -3.845 1.00 0.00 N ATOM 241 CA GLN A 15 -1.486 -27.272 -2.987 1.00 0.00 C ATOM 242 C GLN A 15 -0.990 -26.484 -1.776 1.00 0.00 C ATOM 243 O GLN A 15 -1.244 -26.881 -0.639 1.00 0.00 O ATOM 244 CB GLN A 15 -0.311 -27.915 -3.754 1.00 0.00 C ATOM 245 CG GLN A 15 -0.666 -28.531 -5.116 1.00 0.00 C ATOM 246 CD GLN A 15 -1.931 -29.388 -5.127 1.00 0.00 C ATOM 247 OE1 GLN A 15 -2.075 -30.340 -4.362 1.00 0.00 O ATOM 248 NE2 GLN A 15 -2.873 -29.069 -6.001 1.00 0.00 N ATOM 0 H GLN A 15 -1.742 -25.982 -4.610 1.00 0.00 H new ATOM 0 HA GLN A 15 -2.122 -28.089 -2.646 1.00 0.00 H new ATOM 0 HB2 GLN A 15 0.458 -27.157 -3.907 1.00 0.00 H new ATOM 0 HB3 GLN A 15 0.127 -28.692 -3.127 1.00 0.00 H new ATOM 0 HG2 GLN A 15 -0.784 -27.727 -5.842 1.00 0.00 H new ATOM 0 HG3 GLN A 15 0.172 -29.142 -5.451 1.00 0.00 H new ATOM 0 HE21 GLN A 15 -2.739 -28.276 -6.629 1.00 0.00 H new ATOM 0 HE22 GLN A 15 -3.733 -29.616 -6.046 1.00 0.00 H new ATOM 257 N GLU A 16 -0.326 -25.351 -2.012 1.00 0.00 N ATOM 258 CA GLU A 16 0.168 -24.452 -0.976 1.00 0.00 C ATOM 259 C GLU A 16 0.424 -23.075 -1.590 1.00 0.00 C ATOM 260 O GLU A 16 0.813 -22.977 -2.758 1.00 0.00 O ATOM 261 CB GLU A 16 1.457 -25.028 -0.354 1.00 0.00 C ATOM 262 CG GLU A 16 1.977 -24.212 0.838 1.00 0.00 C ATOM 263 CD GLU A 16 3.146 -24.908 1.556 1.00 0.00 C ATOM 264 OE1 GLU A 16 4.193 -25.171 0.922 1.00 0.00 O ATOM 265 OE2 GLU A 16 3.023 -25.182 2.770 1.00 0.00 O ATOM 0 H GLU A 16 -0.113 -25.028 -2.956 1.00 0.00 H new ATOM 0 HA GLU A 16 -0.574 -24.352 -0.184 1.00 0.00 H new ATOM 0 HB2 GLU A 16 1.269 -26.051 -0.030 1.00 0.00 H new ATOM 0 HB3 GLU A 16 2.232 -25.073 -1.119 1.00 0.00 H new ATOM 0 HG2 GLU A 16 2.299 -23.230 0.491 1.00 0.00 H new ATOM 0 HG3 GLU A 16 1.164 -24.048 1.546 1.00 0.00 H new ATOM 272 N HIS A 17 0.245 -22.012 -0.806 1.00 0.00 N ATOM 273 CA HIS A 17 0.477 -20.636 -1.223 1.00 0.00 C ATOM 274 C HIS A 17 0.888 -19.782 -0.025 1.00 0.00 C ATOM 275 O HIS A 17 0.677 -20.178 1.123 1.00 0.00 O ATOM 276 CB HIS A 17 -0.793 -20.097 -1.890 1.00 0.00 C ATOM 277 CG HIS A 17 -2.077 -20.311 -1.119 1.00 0.00 C ATOM 278 ND1 HIS A 17 -3.008 -21.296 -1.359 1.00 0.00 N ATOM 279 CD2 HIS A 17 -2.559 -19.551 -0.087 1.00 0.00 C ATOM 280 CE1 HIS A 17 -4.021 -21.136 -0.493 1.00 0.00 C ATOM 281 NE2 HIS A 17 -3.796 -20.078 0.309 1.00 0.00 N ATOM 0 H HIS A 17 -0.073 -22.090 0.160 1.00 0.00 H new ATOM 0 HA HIS A 17 1.293 -20.597 -1.944 1.00 0.00 H new ATOM 0 HB2 HIS A 17 -0.667 -19.028 -2.061 1.00 0.00 H new ATOM 0 HB3 HIS A 17 -0.895 -20.566 -2.869 1.00 0.00 H new ATOM 0 HD1 HIS A 17 -2.940 -22.022 -2.072 1.00 0.00 H new ATOM 0 HD2 HIS A 17 -2.070 -18.692 0.348 1.00 0.00 H new ATOM 0 HE1 HIS A 17 -4.895 -21.768 -0.446 1.00 0.00 H new ATOM 289 N VAL A 18 1.482 -18.616 -0.286 1.00 0.00 N ATOM 290 CA VAL A 18 1.856 -17.650 0.744 1.00 0.00 C ATOM 291 C VAL A 18 0.579 -17.169 1.441 1.00 0.00 C ATOM 292 O VAL A 18 -0.439 -16.916 0.789 1.00 0.00 O ATOM 293 CB VAL A 18 2.658 -16.489 0.117 1.00 0.00 C ATOM 294 CG1 VAL A 18 3.073 -15.436 1.155 1.00 0.00 C ATOM 295 CG2 VAL A 18 3.934 -17.006 -0.563 1.00 0.00 C ATOM 0 H VAL A 18 1.719 -18.314 -1.231 1.00 0.00 H new ATOM 0 HA VAL A 18 2.504 -18.110 1.490 1.00 0.00 H new ATOM 0 HB VAL A 18 1.993 -16.028 -0.614 1.00 0.00 H new ATOM 0 HG11 VAL A 18 3.634 -14.642 0.663 1.00 0.00 H new ATOM 0 HG12 VAL A 18 2.183 -15.016 1.623 1.00 0.00 H new ATOM 0 HG13 VAL A 18 3.697 -15.903 1.917 1.00 0.00 H new ATOM 0 HG21 VAL A 18 4.480 -16.168 -0.996 1.00 0.00 H new ATOM 0 HG22 VAL A 18 4.562 -17.506 0.174 1.00 0.00 H new ATOM 0 HG23 VAL A 18 3.667 -17.711 -1.350 1.00 0.00 H new ATOM 305 N GLN A 19 0.631 -17.042 2.768 1.00 0.00 N ATOM 306 CA GLN A 19 -0.496 -16.604 3.578 1.00 0.00 C ATOM 307 C GLN A 19 -0.978 -15.227 3.098 1.00 0.00 C ATOM 308 O GLN A 19 -0.184 -14.291 2.981 1.00 0.00 O ATOM 309 CB GLN A 19 -0.063 -16.602 5.053 1.00 0.00 C ATOM 310 CG GLN A 19 -1.218 -16.328 6.026 1.00 0.00 C ATOM 311 CD GLN A 19 -0.742 -16.404 7.478 1.00 0.00 C ATOM 312 OE1 GLN A 19 -0.422 -15.392 8.098 1.00 0.00 O ATOM 313 NE2 GLN A 19 -0.667 -17.595 8.051 1.00 0.00 N ATOM 0 H GLN A 19 1.469 -17.244 3.313 1.00 0.00 H new ATOM 0 HA GLN A 19 -1.342 -17.284 3.475 1.00 0.00 H new ATOM 0 HB2 GLN A 19 0.385 -17.566 5.294 1.00 0.00 H new ATOM 0 HB3 GLN A 19 0.710 -15.847 5.196 1.00 0.00 H new ATOM 0 HG2 GLN A 19 -1.638 -15.342 5.829 1.00 0.00 H new ATOM 0 HG3 GLN A 19 -2.015 -17.053 5.863 1.00 0.00 H new ATOM 0 HE21 GLN A 19 -0.935 -18.430 7.529 1.00 0.00 H new ATOM 0 HE22 GLN A 19 -0.342 -17.678 9.014 1.00 0.00 H new ATOM 322 N GLY A 20 -2.281 -15.107 2.828 1.00 0.00 N ATOM 323 CA GLY A 20 -2.927 -13.850 2.457 1.00 0.00 C ATOM 324 C GLY A 20 -2.683 -13.420 1.005 1.00 0.00 C ATOM 325 O GLY A 20 -3.108 -12.324 0.629 1.00 0.00 O ATOM 0 H GLY A 20 -2.926 -15.896 2.862 1.00 0.00 H new ATOM 0 HA2 GLY A 20 -4.001 -13.945 2.620 1.00 0.00 H new ATOM 0 HA3 GLY A 20 -2.572 -13.062 3.122 1.00 0.00 H new ATOM 329 N ALA A 21 -2.007 -14.235 0.188 1.00 0.00 N ATOM 330 CA ALA A 21 -1.800 -13.950 -1.229 1.00 0.00 C ATOM 331 C ALA A 21 -3.101 -14.086 -2.037 1.00 0.00 C ATOM 332 O ALA A 21 -4.118 -14.581 -1.545 1.00 0.00 O ATOM 333 CB ALA A 21 -0.732 -14.901 -1.780 1.00 0.00 C ATOM 0 H ALA A 21 -1.588 -15.113 0.496 1.00 0.00 H new ATOM 0 HA ALA A 21 -1.467 -12.917 -1.327 1.00 0.00 H new ATOM 0 HB1 ALA A 21 -0.572 -14.694 -2.838 1.00 0.00 H new ATOM 0 HB2 ALA A 21 0.201 -14.754 -1.236 1.00 0.00 H new ATOM 0 HB3 ALA A 21 -1.065 -15.932 -1.658 1.00 0.00 H new ATOM 339 N ILE A 22 -3.023 -13.691 -3.308 1.00 0.00 N ATOM 340 CA ILE A 22 -4.019 -13.912 -4.355 1.00 0.00 C ATOM 341 C ILE A 22 -3.350 -14.851 -5.372 1.00 0.00 C ATOM 342 O ILE A 22 -2.121 -14.925 -5.409 1.00 0.00 O ATOM 343 CB ILE A 22 -4.393 -12.569 -5.050 1.00 0.00 C ATOM 344 CG1 ILE A 22 -4.420 -11.312 -4.148 1.00 0.00 C ATOM 345 CG2 ILE A 22 -5.729 -12.676 -5.813 1.00 0.00 C ATOM 346 CD1 ILE A 22 -5.475 -11.319 -3.033 1.00 0.00 C ATOM 0 H ILE A 22 -2.213 -13.177 -3.654 1.00 0.00 H new ATOM 0 HA ILE A 22 -4.937 -14.334 -3.945 1.00 0.00 H new ATOM 0 HB ILE A 22 -3.563 -12.415 -5.739 1.00 0.00 H new ATOM 0 HG12 ILE A 22 -3.437 -11.192 -3.693 1.00 0.00 H new ATOM 0 HG13 ILE A 22 -4.588 -10.438 -4.778 1.00 0.00 H new ATOM 0 HG21 ILE A 22 -5.956 -11.720 -6.284 1.00 0.00 H new ATOM 0 HG22 ILE A 22 -5.650 -13.448 -6.578 1.00 0.00 H new ATOM 0 HG23 ILE A 22 -6.526 -12.936 -5.116 1.00 0.00 H new ATOM 0 HD11 ILE A 22 -5.407 -10.393 -2.462 1.00 0.00 H new ATOM 0 HD12 ILE A 22 -6.469 -11.402 -3.473 1.00 0.00 H new ATOM 0 HD13 ILE A 22 -5.299 -12.167 -2.371 1.00 0.00 H new ATOM 358 N ASN A 23 -4.119 -15.504 -6.248 1.00 0.00 N ATOM 359 CA ASN A 23 -3.582 -16.185 -7.426 1.00 0.00 C ATOM 360 C ASN A 23 -4.330 -15.684 -8.641 1.00 0.00 C ATOM 361 O ASN A 23 -5.562 -15.638 -8.644 1.00 0.00 O ATOM 362 CB ASN A 23 -3.673 -17.717 -7.358 1.00 0.00 C ATOM 363 CG ASN A 23 -3.541 -18.364 -8.742 1.00 0.00 C ATOM 364 OD1 ASN A 23 -4.542 -18.629 -9.397 1.00 0.00 O ATOM 365 ND2 ASN A 23 -2.341 -18.611 -9.243 1.00 0.00 N ATOM 0 H ASN A 23 -5.133 -15.574 -6.159 1.00 0.00 H new ATOM 0 HA ASN A 23 -2.518 -15.954 -7.479 1.00 0.00 H new ATOM 0 HB2 ASN A 23 -2.889 -18.098 -6.704 1.00 0.00 H new ATOM 0 HB3 ASN A 23 -4.626 -18.004 -6.913 1.00 0.00 H new ATOM 0 HD21 ASN A 23 -2.251 -19.021 -10.173 1.00 0.00 H new ATOM 0 HD22 ASN A 23 -1.506 -18.391 -8.700 1.00 0.00 H new ATOM 372 N ILE A 24 -3.560 -15.340 -9.666 1.00 0.00 N ATOM 373 CA ILE A 24 -4.046 -15.051 -10.999 1.00 0.00 C ATOM 374 C ILE A 24 -2.891 -15.504 -11.901 1.00 0.00 C ATOM 375 O ILE A 24 -1.794 -14.972 -11.738 1.00 0.00 O ATOM 376 CB ILE A 24 -4.360 -13.542 -11.200 1.00 0.00 C ATOM 377 CG1 ILE A 24 -5.060 -12.825 -10.022 1.00 0.00 C ATOM 378 CG2 ILE A 24 -5.159 -13.422 -12.496 1.00 0.00 C ATOM 379 CD1 ILE A 24 -5.233 -11.312 -10.215 1.00 0.00 C ATOM 0 H ILE A 24 -2.547 -15.253 -9.584 1.00 0.00 H new ATOM 0 HA ILE A 24 -4.987 -15.556 -11.215 1.00 0.00 H new ATOM 0 HB ILE A 24 -3.408 -13.014 -11.252 1.00 0.00 H new ATOM 0 HG12 ILE A 24 -6.041 -13.274 -9.870 1.00 0.00 H new ATOM 0 HG13 ILE A 24 -4.485 -13.000 -9.113 1.00 0.00 H new ATOM 0 HG21 ILE A 24 -5.402 -12.375 -12.678 1.00 0.00 H new ATOM 0 HG22 ILE A 24 -4.566 -13.806 -13.326 1.00 0.00 H new ATOM 0 HG23 ILE A 24 -6.080 -13.999 -12.411 1.00 0.00 H new ATOM 0 HD11 ILE A 24 -5.732 -10.889 -9.343 1.00 0.00 H new ATOM 0 HD12 ILE A 24 -4.255 -10.846 -10.335 1.00 0.00 H new ATOM 0 HD13 ILE A 24 -5.835 -11.125 -11.104 1.00 0.00 H new ATOM 391 N PRO A 25 -3.060 -16.473 -12.817 1.00 0.00 N ATOM 392 CA PRO A 25 -1.970 -16.871 -13.698 1.00 0.00 C ATOM 393 C PRO A 25 -1.584 -15.693 -14.599 1.00 0.00 C ATOM 394 O PRO A 25 -2.432 -14.873 -14.959 1.00 0.00 O ATOM 395 CB PRO A 25 -2.479 -18.093 -14.464 1.00 0.00 C ATOM 396 CG PRO A 25 -3.999 -17.943 -14.433 1.00 0.00 C ATOM 397 CD PRO A 25 -4.274 -17.213 -13.117 1.00 0.00 C ATOM 0 HA PRO A 25 -1.057 -17.138 -13.165 1.00 0.00 H new ATOM 0 HB2 PRO A 25 -2.100 -18.109 -15.486 1.00 0.00 H new ATOM 0 HB3 PRO A 25 -2.160 -19.022 -13.991 1.00 0.00 H new ATOM 0 HG2 PRO A 25 -4.361 -17.373 -15.289 1.00 0.00 H new ATOM 0 HG3 PRO A 25 -4.496 -18.913 -14.463 1.00 0.00 H new ATOM 0 HD2 PRO A 25 -5.128 -16.542 -13.212 1.00 0.00 H new ATOM 0 HD3 PRO A 25 -4.510 -17.918 -12.320 1.00 0.00 H new ATOM 405 N LEU A 26 -0.305 -15.613 -14.978 1.00 0.00 N ATOM 406 CA LEU A 26 0.291 -14.449 -15.645 1.00 0.00 C ATOM 407 C LEU A 26 -0.488 -13.971 -16.884 1.00 0.00 C ATOM 408 O LEU A 26 -0.628 -12.768 -17.104 1.00 0.00 O ATOM 409 CB LEU A 26 1.758 -14.786 -15.969 1.00 0.00 C ATOM 410 CG LEU A 26 2.583 -13.649 -16.606 1.00 0.00 C ATOM 411 CD1 LEU A 26 2.485 -12.338 -15.817 1.00 0.00 C ATOM 412 CD2 LEU A 26 4.051 -14.095 -16.675 1.00 0.00 C ATOM 0 H LEU A 26 0.360 -16.371 -14.827 1.00 0.00 H new ATOM 0 HA LEU A 26 0.241 -13.599 -14.965 1.00 0.00 H new ATOM 0 HB2 LEU A 26 2.252 -15.096 -15.048 1.00 0.00 H new ATOM 0 HB3 LEU A 26 1.774 -15.643 -16.643 1.00 0.00 H new ATOM 0 HG LEU A 26 2.181 -13.455 -17.600 1.00 0.00 H new ATOM 0 HD11 LEU A 26 3.084 -11.572 -16.309 1.00 0.00 H new ATOM 0 HD12 LEU A 26 1.445 -12.015 -15.776 1.00 0.00 H new ATOM 0 HD13 LEU A 26 2.856 -12.494 -14.804 1.00 0.00 H new ATOM 0 HD21 LEU A 26 4.651 -13.303 -17.123 1.00 0.00 H new ATOM 0 HD22 LEU A 26 4.416 -14.302 -15.669 1.00 0.00 H new ATOM 0 HD23 LEU A 26 4.129 -14.997 -17.282 1.00 0.00 H new ATOM 424 N LYS A 27 -1.047 -14.897 -17.666 1.00 0.00 N ATOM 425 CA LYS A 27 -1.872 -14.582 -18.832 1.00 0.00 C ATOM 426 C LYS A 27 -3.099 -13.737 -18.475 1.00 0.00 C ATOM 427 O LYS A 27 -3.496 -12.891 -19.276 1.00 0.00 O ATOM 428 CB LYS A 27 -2.262 -15.872 -19.581 1.00 0.00 C ATOM 429 CG LYS A 27 -3.150 -16.838 -18.770 1.00 0.00 C ATOM 430 CD LYS A 27 -3.401 -18.172 -19.489 1.00 0.00 C ATOM 431 CE LYS A 27 -4.210 -17.993 -20.785 1.00 0.00 C ATOM 432 NZ LYS A 27 -4.500 -19.289 -21.448 1.00 0.00 N ATOM 0 H LYS A 27 -0.938 -15.898 -17.505 1.00 0.00 H new ATOM 0 HA LYS A 27 -1.270 -13.967 -19.501 1.00 0.00 H new ATOM 0 HB2 LYS A 27 -2.785 -15.601 -20.498 1.00 0.00 H new ATOM 0 HB3 LYS A 27 -1.352 -16.395 -19.876 1.00 0.00 H new ATOM 0 HG2 LYS A 27 -2.678 -17.034 -17.807 1.00 0.00 H new ATOM 0 HG3 LYS A 27 -4.106 -16.357 -18.564 1.00 0.00 H new ATOM 0 HD2 LYS A 27 -2.446 -18.642 -19.722 1.00 0.00 H new ATOM 0 HD3 LYS A 27 -3.935 -18.848 -18.821 1.00 0.00 H new ATOM 0 HE2 LYS A 27 -5.147 -17.485 -20.559 1.00 0.00 H new ATOM 0 HE3 LYS A 27 -3.657 -17.352 -21.471 1.00 0.00 H new ATOM 0 HZ1 LYS A 27 -5.047 -19.120 -22.317 1.00 0.00 H new ATOM 0 HZ2 LYS A 27 -3.606 -19.764 -21.688 1.00 0.00 H new ATOM 0 HZ3 LYS A 27 -5.051 -19.893 -20.804 1.00 0.00 H new ATOM 446 N GLU A 28 -3.695 -13.939 -17.296 1.00 0.00 N ATOM 447 CA GLU A 28 -4.815 -13.134 -16.826 1.00 0.00 C ATOM 448 C GLU A 28 -4.315 -11.861 -16.158 1.00 0.00 C ATOM 449 O GLU A 28 -4.935 -10.820 -16.347 1.00 0.00 O ATOM 450 CB GLU A 28 -5.705 -13.922 -15.849 1.00 0.00 C ATOM 451 CG GLU A 28 -7.015 -14.372 -16.501 1.00 0.00 C ATOM 452 CD GLU A 28 -7.879 -15.192 -15.527 1.00 0.00 C ATOM 453 OE1 GLU A 28 -8.308 -14.644 -14.486 1.00 0.00 O ATOM 454 OE2 GLU A 28 -8.159 -16.380 -15.812 1.00 0.00 O ATOM 0 H GLU A 28 -3.410 -14.669 -16.643 1.00 0.00 H new ATOM 0 HA GLU A 28 -5.416 -12.870 -17.696 1.00 0.00 H new ATOM 0 HB2 GLU A 28 -5.162 -14.795 -15.487 1.00 0.00 H new ATOM 0 HB3 GLU A 28 -5.927 -13.302 -14.980 1.00 0.00 H new ATOM 0 HG2 GLU A 28 -7.574 -13.499 -16.837 1.00 0.00 H new ATOM 0 HG3 GLU A 28 -6.795 -14.970 -17.386 1.00 0.00 H new ATOM 461 N VAL A 29 -3.204 -11.909 -15.413 1.00 0.00 N ATOM 462 CA VAL A 29 -2.652 -10.763 -14.670 1.00 0.00 C ATOM 463 C VAL A 29 -2.560 -9.529 -15.565 1.00 0.00 C ATOM 464 O VAL A 29 -2.929 -8.437 -15.140 1.00 0.00 O ATOM 465 CB VAL A 29 -1.270 -11.134 -14.085 1.00 0.00 C ATOM 466 CG1 VAL A 29 -0.468 -9.969 -13.489 1.00 0.00 C ATOM 467 CG2 VAL A 29 -1.421 -12.178 -12.983 1.00 0.00 C ATOM 0 H VAL A 29 -2.651 -12.760 -15.306 1.00 0.00 H new ATOM 0 HA VAL A 29 -3.323 -10.520 -13.846 1.00 0.00 H new ATOM 0 HB VAL A 29 -0.716 -11.505 -14.947 1.00 0.00 H new ATOM 0 HG11 VAL A 29 0.483 -10.340 -13.108 1.00 0.00 H new ATOM 0 HG12 VAL A 29 -0.283 -9.222 -14.261 1.00 0.00 H new ATOM 0 HG13 VAL A 29 -1.034 -9.517 -12.675 1.00 0.00 H new ATOM 0 HG21 VAL A 29 -0.439 -12.428 -12.582 1.00 0.00 H new ATOM 0 HG22 VAL A 29 -2.047 -11.778 -12.186 1.00 0.00 H new ATOM 0 HG23 VAL A 29 -1.885 -13.075 -13.393 1.00 0.00 H new ATOM 477 N LYS A 30 -2.135 -9.704 -16.819 1.00 0.00 N ATOM 478 CA LYS A 30 -1.924 -8.612 -17.761 1.00 0.00 C ATOM 479 C LYS A 30 -3.205 -7.841 -18.128 1.00 0.00 C ATOM 480 O LYS A 30 -3.128 -6.830 -18.822 1.00 0.00 O ATOM 481 CB LYS A 30 -1.190 -9.181 -18.991 1.00 0.00 C ATOM 482 CG LYS A 30 -0.271 -8.130 -19.635 1.00 0.00 C ATOM 483 CD LYS A 30 0.352 -8.594 -20.962 1.00 0.00 C ATOM 484 CE LYS A 30 1.227 -9.851 -20.823 1.00 0.00 C ATOM 485 NZ LYS A 30 1.803 -10.274 -22.126 1.00 0.00 N ATOM 0 H LYS A 30 -1.926 -10.623 -17.210 1.00 0.00 H new ATOM 0 HA LYS A 30 -1.308 -7.852 -17.281 1.00 0.00 H new ATOM 0 HB2 LYS A 30 -0.601 -10.049 -18.695 1.00 0.00 H new ATOM 0 HB3 LYS A 30 -1.919 -9.526 -19.724 1.00 0.00 H new ATOM 0 HG2 LYS A 30 -0.841 -7.218 -19.809 1.00 0.00 H new ATOM 0 HG3 LYS A 30 0.527 -7.879 -18.936 1.00 0.00 H new ATOM 0 HD2 LYS A 30 -0.445 -8.793 -21.678 1.00 0.00 H new ATOM 0 HD3 LYS A 30 0.955 -7.785 -21.373 1.00 0.00 H new ATOM 0 HE2 LYS A 30 2.033 -9.655 -20.116 1.00 0.00 H new ATOM 0 HE3 LYS A 30 0.631 -10.664 -20.409 1.00 0.00 H new ATOM 0 HZ1 LYS A 30 2.386 -11.124 -21.988 1.00 0.00 H new ATOM 0 HZ2 LYS A 30 1.034 -10.486 -22.793 1.00 0.00 H new ATOM 0 HZ3 LYS A 30 2.393 -9.508 -22.510 1.00 0.00 H new ATOM 499 N GLU A 31 -4.377 -8.269 -17.661 1.00 0.00 N ATOM 500 CA GLU A 31 -5.611 -7.506 -17.734 1.00 0.00 C ATOM 501 C GLU A 31 -6.223 -7.423 -16.333 1.00 0.00 C ATOM 502 O GLU A 31 -6.549 -6.341 -15.851 1.00 0.00 O ATOM 503 CB GLU A 31 -6.539 -8.173 -18.761 1.00 0.00 C ATOM 504 CG GLU A 31 -7.883 -7.448 -18.860 1.00 0.00 C ATOM 505 CD GLU A 31 -8.761 -8.023 -19.986 1.00 0.00 C ATOM 506 OE1 GLU A 31 -9.538 -8.972 -19.736 1.00 0.00 O ATOM 507 OE2 GLU A 31 -8.700 -7.519 -21.131 1.00 0.00 O ATOM 0 H GLU A 31 -4.492 -9.178 -17.212 1.00 0.00 H new ATOM 0 HA GLU A 31 -5.437 -6.484 -18.069 1.00 0.00 H new ATOM 0 HB2 GLU A 31 -6.056 -8.180 -19.738 1.00 0.00 H new ATOM 0 HB3 GLU A 31 -6.706 -9.213 -18.480 1.00 0.00 H new ATOM 0 HG2 GLU A 31 -8.411 -7.530 -17.910 1.00 0.00 H new ATOM 0 HG3 GLU A 31 -7.711 -6.387 -19.039 1.00 0.00 H new ATOM 514 N ARG A 32 -6.332 -8.559 -15.646 1.00 0.00 N ATOM 515 CA ARG A 32 -7.049 -8.692 -14.387 1.00 0.00 C ATOM 516 C ARG A 32 -6.378 -7.950 -13.237 1.00 0.00 C ATOM 517 O ARG A 32 -7.078 -7.570 -12.297 1.00 0.00 O ATOM 518 CB ARG A 32 -7.248 -10.184 -14.080 1.00 0.00 C ATOM 519 CG ARG A 32 -8.243 -10.407 -12.932 1.00 0.00 C ATOM 520 CD ARG A 32 -8.628 -11.888 -12.853 1.00 0.00 C ATOM 521 NE ARG A 32 -9.298 -12.219 -11.585 1.00 0.00 N ATOM 522 CZ ARG A 32 -9.539 -13.462 -11.146 1.00 0.00 C ATOM 523 NH1 ARG A 32 -9.235 -14.522 -11.891 1.00 0.00 N ATOM 524 NH2 ARG A 32 -10.088 -13.638 -9.948 1.00 0.00 N ATOM 0 H ARG A 32 -5.912 -9.433 -15.961 1.00 0.00 H new ATOM 0 HA ARG A 32 -8.023 -8.215 -14.495 1.00 0.00 H new ATOM 0 HB2 ARG A 32 -7.606 -10.694 -14.974 1.00 0.00 H new ATOM 0 HB3 ARG A 32 -6.289 -10.632 -13.821 1.00 0.00 H new ATOM 0 HG2 ARG A 32 -7.800 -10.087 -11.989 1.00 0.00 H new ATOM 0 HG3 ARG A 32 -9.134 -9.799 -13.089 1.00 0.00 H new ATOM 0 HD2 ARG A 32 -9.286 -12.136 -13.686 1.00 0.00 H new ATOM 0 HD3 ARG A 32 -7.733 -12.501 -12.960 1.00 0.00 H new ATOM 0 HE ARG A 32 -9.602 -11.444 -10.996 1.00 0.00 H new ATOM 0 HH11 ARG A 32 -8.812 -14.395 -12.810 1.00 0.00 H new ATOM 0 HH12 ARG A 32 -9.425 -15.462 -11.542 1.00 0.00 H new ATOM 0 HH21 ARG A 32 -10.322 -12.830 -9.371 1.00 0.00 H new ATOM 0 HH22 ARG A 32 -10.275 -14.581 -9.606 1.00 0.00 H new ATOM 538 N ILE A 33 -5.065 -7.690 -13.289 1.00 0.00 N ATOM 539 CA ILE A 33 -4.444 -6.862 -12.255 1.00 0.00 C ATOM 540 C ILE A 33 -5.085 -5.476 -12.267 1.00 0.00 C ATOM 541 O ILE A 33 -5.213 -4.882 -11.207 1.00 0.00 O ATOM 542 CB ILE A 33 -2.901 -6.788 -12.363 1.00 0.00 C ATOM 543 CG1 ILE A 33 -2.242 -6.369 -11.030 1.00 0.00 C ATOM 544 CG2 ILE A 33 -2.434 -5.766 -13.396 1.00 0.00 C ATOM 545 CD1 ILE A 33 -2.193 -7.537 -10.041 1.00 0.00 C ATOM 0 H ILE A 33 -4.432 -8.030 -14.013 1.00 0.00 H new ATOM 0 HA ILE A 33 -4.631 -7.340 -11.293 1.00 0.00 H new ATOM 0 HB ILE A 33 -2.603 -7.796 -12.652 1.00 0.00 H new ATOM 0 HG12 ILE A 33 -1.231 -6.008 -11.220 1.00 0.00 H new ATOM 0 HG13 ILE A 33 -2.799 -5.541 -10.591 1.00 0.00 H new ATOM 0 HG21 ILE A 33 -1.345 -5.755 -13.431 1.00 0.00 H new ATOM 0 HG22 ILE A 33 -2.826 -6.035 -14.377 1.00 0.00 H new ATOM 0 HG23 ILE A 33 -2.798 -4.777 -13.119 1.00 0.00 H new ATOM 0 HD11 ILE A 33 -1.724 -7.209 -9.114 1.00 0.00 H new ATOM 0 HD12 ILE A 33 -3.206 -7.880 -9.833 1.00 0.00 H new ATOM 0 HD13 ILE A 33 -1.614 -8.354 -10.471 1.00 0.00 H new ATOM 557 N ALA A 34 -5.532 -4.963 -13.420 1.00 0.00 N ATOM 558 CA ALA A 34 -6.185 -3.662 -13.448 1.00 0.00 C ATOM 559 C ALA A 34 -7.488 -3.677 -12.644 1.00 0.00 C ATOM 560 O ALA A 34 -7.827 -2.689 -11.996 1.00 0.00 O ATOM 561 CB ALA A 34 -6.447 -3.231 -14.892 1.00 0.00 C ATOM 0 H ALA A 34 -5.453 -5.424 -14.327 1.00 0.00 H new ATOM 0 HA ALA A 34 -5.517 -2.938 -12.982 1.00 0.00 H new ATOM 0 HB1 ALA A 34 -6.936 -2.257 -14.898 1.00 0.00 H new ATOM 0 HB2 ALA A 34 -5.501 -3.166 -15.430 1.00 0.00 H new ATOM 0 HB3 ALA A 34 -7.091 -3.963 -15.379 1.00 0.00 H new ATOM 567 N THR A 35 -8.209 -4.797 -12.667 1.00 0.00 N ATOM 568 CA THR A 35 -9.439 -4.987 -11.914 1.00 0.00 C ATOM 569 C THR A 35 -9.132 -5.089 -10.413 1.00 0.00 C ATOM 570 O THR A 35 -9.809 -4.466 -9.593 1.00 0.00 O ATOM 571 CB THR A 35 -10.159 -6.251 -12.436 1.00 0.00 C ATOM 572 OG1 THR A 35 -10.057 -6.337 -13.851 1.00 0.00 O ATOM 573 CG2 THR A 35 -11.641 -6.254 -12.053 1.00 0.00 C ATOM 0 H THR A 35 -7.946 -5.611 -13.222 1.00 0.00 H new ATOM 0 HA THR A 35 -10.098 -4.130 -12.053 1.00 0.00 H new ATOM 0 HB THR A 35 -9.670 -7.108 -11.973 1.00 0.00 H new ATOM 0 HG1 THR A 35 -10.517 -7.144 -14.164 1.00 0.00 H new ATOM 0 HG21 THR A 35 -12.114 -7.158 -12.437 1.00 0.00 H new ATOM 0 HG22 THR A 35 -11.736 -6.228 -10.967 1.00 0.00 H new ATOM 0 HG23 THR A 35 -12.129 -5.379 -12.481 1.00 0.00 H new ATOM 581 N ALA A 36 -8.103 -5.864 -10.053 1.00 0.00 N ATOM 582 CA ALA A 36 -7.781 -6.181 -8.663 1.00 0.00 C ATOM 583 C ALA A 36 -6.965 -5.076 -7.975 1.00 0.00 C ATOM 584 O ALA A 36 -7.051 -4.915 -6.757 1.00 0.00 O ATOM 585 CB ALA A 36 -7.011 -7.507 -8.627 1.00 0.00 C ATOM 0 H ALA A 36 -7.467 -6.291 -10.726 1.00 0.00 H new ATOM 0 HA ALA A 36 -8.717 -6.263 -8.111 1.00 0.00 H new ATOM 0 HB1 ALA A 36 -6.764 -7.756 -7.595 1.00 0.00 H new ATOM 0 HB2 ALA A 36 -7.628 -8.298 -9.054 1.00 0.00 H new ATOM 0 HB3 ALA A 36 -6.093 -7.411 -9.207 1.00 0.00 H new ATOM 591 N VAL A 37 -6.172 -4.330 -8.743 1.00 0.00 N ATOM 592 CA VAL A 37 -5.155 -3.387 -8.287 1.00 0.00 C ATOM 593 C VAL A 37 -5.100 -2.207 -9.277 1.00 0.00 C ATOM 594 O VAL A 37 -4.118 -2.039 -10.003 1.00 0.00 O ATOM 595 CB VAL A 37 -3.769 -4.073 -8.142 1.00 0.00 C ATOM 596 CG1 VAL A 37 -2.939 -3.314 -7.108 1.00 0.00 C ATOM 597 CG2 VAL A 37 -3.792 -5.568 -7.809 1.00 0.00 C ATOM 0 H VAL A 37 -6.227 -4.371 -9.761 1.00 0.00 H new ATOM 0 HA VAL A 37 -5.421 -3.017 -7.297 1.00 0.00 H new ATOM 0 HB VAL A 37 -3.318 -4.027 -9.133 1.00 0.00 H new ATOM 0 HG11 VAL A 37 -1.965 -3.791 -7.002 1.00 0.00 H new ATOM 0 HG12 VAL A 37 -2.804 -2.283 -7.435 1.00 0.00 H new ATOM 0 HG13 VAL A 37 -3.455 -3.325 -6.148 1.00 0.00 H new ATOM 0 HG21 VAL A 37 -2.770 -5.939 -7.732 1.00 0.00 H new ATOM 0 HG22 VAL A 37 -4.306 -5.722 -6.860 1.00 0.00 H new ATOM 0 HG23 VAL A 37 -4.316 -6.108 -8.597 1.00 0.00 H new ATOM 607 N PRO A 38 -6.151 -1.379 -9.370 1.00 0.00 N ATOM 608 CA PRO A 38 -6.127 -0.237 -10.273 1.00 0.00 C ATOM 609 C PRO A 38 -5.091 0.816 -9.841 1.00 0.00 C ATOM 610 O PRO A 38 -4.646 1.610 -10.672 1.00 0.00 O ATOM 611 CB PRO A 38 -7.557 0.317 -10.269 1.00 0.00 C ATOM 612 CG PRO A 38 -8.124 -0.141 -8.923 1.00 0.00 C ATOM 613 CD PRO A 38 -7.421 -1.475 -8.675 1.00 0.00 C ATOM 0 HA PRO A 38 -5.820 -0.527 -11.278 1.00 0.00 H new ATOM 0 HB2 PRO A 38 -7.565 1.403 -10.357 1.00 0.00 H new ATOM 0 HB3 PRO A 38 -8.140 -0.075 -11.103 1.00 0.00 H new ATOM 0 HG2 PRO A 38 -7.911 0.578 -8.132 1.00 0.00 H new ATOM 0 HG3 PRO A 38 -9.207 -0.259 -8.963 1.00 0.00 H new ATOM 0 HD2 PRO A 38 -7.273 -1.648 -7.609 1.00 0.00 H new ATOM 0 HD3 PRO A 38 -8.014 -2.307 -9.054 1.00 0.00 H new ATOM 621 N ASP A 39 -4.694 0.832 -8.561 1.00 0.00 N ATOM 622 CA ASP A 39 -3.600 1.661 -8.062 1.00 0.00 C ATOM 623 C ASP A 39 -2.262 1.115 -8.567 1.00 0.00 C ATOM 624 O ASP A 39 -1.716 0.155 -8.017 1.00 0.00 O ATOM 625 CB ASP A 39 -3.608 1.738 -6.529 1.00 0.00 C ATOM 626 CG ASP A 39 -2.420 2.555 -5.980 1.00 0.00 C ATOM 627 OD1 ASP A 39 -1.757 3.287 -6.751 1.00 0.00 O ATOM 628 OD2 ASP A 39 -2.177 2.494 -4.754 1.00 0.00 O ATOM 0 H ASP A 39 -5.132 0.261 -7.838 1.00 0.00 H new ATOM 0 HA ASP A 39 -3.739 2.674 -8.441 1.00 0.00 H new ATOM 0 HB2 ASP A 39 -4.542 2.189 -6.195 1.00 0.00 H new ATOM 0 HB3 ASP A 39 -3.575 0.730 -6.116 1.00 0.00 H new ATOM 633 N LYS A 40 -1.719 1.742 -9.612 1.00 0.00 N ATOM 634 CA LYS A 40 -0.430 1.382 -10.200 1.00 0.00 C ATOM 635 C LYS A 40 0.739 1.490 -9.213 1.00 0.00 C ATOM 636 O LYS A 40 1.785 0.896 -9.476 1.00 0.00 O ATOM 637 CB LYS A 40 -0.189 2.240 -11.455 1.00 0.00 C ATOM 638 CG LYS A 40 -1.056 1.746 -12.624 1.00 0.00 C ATOM 639 CD LYS A 40 -0.790 2.533 -13.914 1.00 0.00 C ATOM 640 CE LYS A 40 -1.553 1.949 -15.115 1.00 0.00 C ATOM 641 NZ LYS A 40 -3.025 2.127 -15.013 1.00 0.00 N ATOM 0 H LYS A 40 -2.171 2.527 -10.080 1.00 0.00 H new ATOM 0 HA LYS A 40 -0.475 0.329 -10.478 1.00 0.00 H new ATOM 0 HB2 LYS A 40 -0.421 3.283 -11.239 1.00 0.00 H new ATOM 0 HB3 LYS A 40 0.864 2.199 -11.734 1.00 0.00 H new ATOM 0 HG2 LYS A 40 -0.860 0.688 -12.798 1.00 0.00 H new ATOM 0 HG3 LYS A 40 -2.109 1.835 -12.356 1.00 0.00 H new ATOM 0 HD2 LYS A 40 -1.082 3.573 -13.770 1.00 0.00 H new ATOM 0 HD3 LYS A 40 0.279 2.529 -14.127 1.00 0.00 H new ATOM 0 HE2 LYS A 40 -1.198 2.424 -16.029 1.00 0.00 H new ATOM 0 HE3 LYS A 40 -1.327 0.886 -15.200 1.00 0.00 H new ATOM 0 HZ1 LYS A 40 -3.483 1.714 -15.850 1.00 0.00 H new ATOM 0 HZ2 LYS A 40 -3.374 1.651 -14.157 1.00 0.00 H new ATOM 0 HZ3 LYS A 40 -3.249 3.141 -14.961 1.00 0.00 H new ATOM 655 N ASN A 41 0.589 2.210 -8.096 1.00 0.00 N ATOM 656 CA ASN A 41 1.635 2.391 -7.091 1.00 0.00 C ATOM 657 C ASN A 41 1.456 1.402 -5.927 1.00 0.00 C ATOM 658 O ASN A 41 2.155 1.515 -4.918 1.00 0.00 O ATOM 659 CB ASN A 41 1.641 3.855 -6.606 1.00 0.00 C ATOM 660 CG ASN A 41 3.030 4.358 -6.204 1.00 0.00 C ATOM 661 OD1 ASN A 41 3.557 5.287 -6.810 1.00 0.00 O ATOM 662 ND2 ASN A 41 3.652 3.793 -5.186 1.00 0.00 N ATOM 0 H ASN A 41 -0.280 2.691 -7.863 1.00 0.00 H new ATOM 0 HA ASN A 41 2.605 2.177 -7.541 1.00 0.00 H new ATOM 0 HB2 ASN A 41 1.247 4.493 -7.397 1.00 0.00 H new ATOM 0 HB3 ASN A 41 0.968 3.950 -5.754 1.00 0.00 H new ATOM 0 HD21 ASN A 41 4.572 4.128 -4.901 1.00 0.00 H new ATOM 0 HD22 ASN A 41 3.212 3.022 -4.684 1.00 0.00 H new ATOM 669 N ASP A 42 0.527 0.444 -6.009 1.00 0.00 N ATOM 670 CA ASP A 42 0.476 -0.638 -5.026 1.00 0.00 C ATOM 671 C ASP A 42 1.743 -1.477 -5.140 1.00 0.00 C ATOM 672 O ASP A 42 2.248 -1.698 -6.247 1.00 0.00 O ATOM 673 CB ASP A 42 -0.706 -1.569 -5.253 1.00 0.00 C ATOM 674 CG ASP A 42 -0.906 -2.453 -4.023 1.00 0.00 C ATOM 675 OD1 ASP A 42 -1.544 -1.978 -3.057 1.00 0.00 O ATOM 676 OD2 ASP A 42 -0.386 -3.587 -4.017 1.00 0.00 O ATOM 0 H ASP A 42 -0.188 0.397 -6.734 1.00 0.00 H new ATOM 0 HA ASP A 42 0.378 -0.175 -4.044 1.00 0.00 H new ATOM 0 HB2 ASP A 42 -1.608 -0.988 -5.446 1.00 0.00 H new ATOM 0 HB3 ASP A 42 -0.531 -2.188 -6.133 1.00 0.00 H new ATOM 681 N THR A 43 2.240 -1.978 -4.015 1.00 0.00 N ATOM 682 CA THR A 43 3.355 -2.896 -4.002 1.00 0.00 C ATOM 683 C THR A 43 2.890 -4.298 -4.416 1.00 0.00 C ATOM 684 O THR A 43 2.634 -5.157 -3.572 1.00 0.00 O ATOM 685 CB THR A 43 4.077 -2.855 -2.653 1.00 0.00 C ATOM 686 OG1 THR A 43 4.332 -1.520 -2.260 1.00 0.00 O ATOM 687 CG2 THR A 43 5.391 -3.605 -2.799 1.00 0.00 C ATOM 0 H THR A 43 1.875 -1.754 -3.089 1.00 0.00 H new ATOM 0 HA THR A 43 4.095 -2.588 -4.741 1.00 0.00 H new ATOM 0 HB THR A 43 3.452 -3.317 -1.889 1.00 0.00 H new ATOM 0 HG1 THR A 43 3.536 -1.149 -1.825 1.00 0.00 H new ATOM 0 HG21 THR A 43 5.926 -3.590 -1.849 1.00 0.00 H new ATOM 0 HG22 THR A 43 5.191 -4.637 -3.087 1.00 0.00 H new ATOM 0 HG23 THR A 43 6.000 -3.126 -3.566 1.00 0.00 H new ATOM 695 N VAL A 44 2.768 -4.530 -5.720 1.00 0.00 N ATOM 696 CA VAL A 44 2.430 -5.839 -6.261 1.00 0.00 C ATOM 697 C VAL A 44 3.689 -6.706 -6.179 1.00 0.00 C ATOM 698 O VAL A 44 4.660 -6.455 -6.895 1.00 0.00 O ATOM 699 CB VAL A 44 1.887 -5.723 -7.703 1.00 0.00 C ATOM 700 CG1 VAL A 44 1.394 -7.093 -8.189 1.00 0.00 C ATOM 701 CG2 VAL A 44 0.707 -4.743 -7.794 1.00 0.00 C ATOM 0 H VAL A 44 2.902 -3.812 -6.432 1.00 0.00 H new ATOM 0 HA VAL A 44 1.630 -6.303 -5.683 1.00 0.00 H new ATOM 0 HB VAL A 44 2.706 -5.357 -8.322 1.00 0.00 H new ATOM 0 HG11 VAL A 44 1.013 -7.003 -9.206 1.00 0.00 H new ATOM 0 HG12 VAL A 44 2.220 -7.804 -8.173 1.00 0.00 H new ATOM 0 HG13 VAL A 44 0.598 -7.447 -7.533 1.00 0.00 H new ATOM 0 HG21 VAL A 44 0.356 -4.691 -8.825 1.00 0.00 H new ATOM 0 HG22 VAL A 44 -0.103 -5.088 -7.151 1.00 0.00 H new ATOM 0 HG23 VAL A 44 1.030 -3.753 -7.471 1.00 0.00 H new ATOM 711 N LYS A 45 3.681 -7.717 -5.309 1.00 0.00 N ATOM 712 CA LYS A 45 4.769 -8.676 -5.146 1.00 0.00 C ATOM 713 C LYS A 45 4.416 -9.909 -5.962 1.00 0.00 C ATOM 714 O LYS A 45 3.638 -10.749 -5.504 1.00 0.00 O ATOM 715 CB LYS A 45 5.013 -8.993 -3.658 1.00 0.00 C ATOM 716 CG LYS A 45 5.312 -7.701 -2.889 1.00 0.00 C ATOM 717 CD LYS A 45 5.886 -7.922 -1.484 1.00 0.00 C ATOM 718 CE LYS A 45 6.691 -6.682 -1.063 1.00 0.00 C ATOM 719 NZ LYS A 45 7.014 -6.667 0.383 1.00 0.00 N ATOM 0 H LYS A 45 2.896 -7.894 -4.683 1.00 0.00 H new ATOM 0 HA LYS A 45 5.710 -8.263 -5.510 1.00 0.00 H new ATOM 0 HB2 LYS A 45 4.137 -9.484 -3.234 1.00 0.00 H new ATOM 0 HB3 LYS A 45 5.847 -9.687 -3.558 1.00 0.00 H new ATOM 0 HG2 LYS A 45 6.017 -7.103 -3.467 1.00 0.00 H new ATOM 0 HG3 LYS A 45 4.393 -7.120 -2.806 1.00 0.00 H new ATOM 0 HD2 LYS A 45 5.080 -8.104 -0.774 1.00 0.00 H new ATOM 0 HD3 LYS A 45 6.525 -8.805 -1.475 1.00 0.00 H new ATOM 0 HE2 LYS A 45 7.617 -6.644 -1.637 1.00 0.00 H new ATOM 0 HE3 LYS A 45 6.124 -5.785 -1.313 1.00 0.00 H new ATOM 0 HZ1 LYS A 45 7.894 -6.135 0.537 1.00 0.00 H new ATOM 0 HZ2 LYS A 45 6.239 -6.213 0.907 1.00 0.00 H new ATOM 0 HZ3 LYS A 45 7.136 -7.643 0.722 1.00 0.00 H new ATOM 733 N VAL A 46 4.907 -9.987 -7.196 1.00 0.00 N ATOM 734 CA VAL A 46 4.668 -11.154 -8.040 1.00 0.00 C ATOM 735 C VAL A 46 5.553 -12.303 -7.545 1.00 0.00 C ATOM 736 O VAL A 46 6.729 -12.085 -7.231 1.00 0.00 O ATOM 737 CB VAL A 46 4.890 -10.816 -9.531 1.00 0.00 C ATOM 738 CG1 VAL A 46 3.776 -9.890 -10.041 1.00 0.00 C ATOM 739 CG2 VAL A 46 6.243 -10.155 -9.844 1.00 0.00 C ATOM 0 H VAL A 46 5.471 -9.258 -7.633 1.00 0.00 H new ATOM 0 HA VAL A 46 3.627 -11.470 -7.965 1.00 0.00 H new ATOM 0 HB VAL A 46 4.877 -11.780 -10.040 1.00 0.00 H new ATOM 0 HG11 VAL A 46 3.946 -9.661 -11.093 1.00 0.00 H new ATOM 0 HG12 VAL A 46 2.811 -10.385 -9.929 1.00 0.00 H new ATOM 0 HG13 VAL A 46 3.778 -8.966 -9.463 1.00 0.00 H new ATOM 0 HG21 VAL A 46 6.311 -9.954 -10.913 1.00 0.00 H new ATOM 0 HG22 VAL A 46 6.327 -9.219 -9.293 1.00 0.00 H new ATOM 0 HG23 VAL A 46 7.052 -10.824 -9.548 1.00 0.00 H new ATOM 749 N TYR A 47 5.019 -13.528 -7.502 1.00 0.00 N ATOM 750 CA TYR A 47 5.787 -14.733 -7.201 1.00 0.00 C ATOM 751 C TYR A 47 5.238 -15.921 -7.995 1.00 0.00 C ATOM 752 O TYR A 47 4.070 -15.919 -8.379 1.00 0.00 O ATOM 753 CB TYR A 47 5.801 -15.004 -5.689 1.00 0.00 C ATOM 754 CG TYR A 47 4.567 -15.645 -5.077 1.00 0.00 C ATOM 755 CD1 TYR A 47 3.530 -14.835 -4.577 1.00 0.00 C ATOM 756 CD2 TYR A 47 4.494 -17.045 -4.932 1.00 0.00 C ATOM 757 CE1 TYR A 47 2.438 -15.418 -3.909 1.00 0.00 C ATOM 758 CE2 TYR A 47 3.405 -17.634 -4.268 1.00 0.00 C ATOM 759 CZ TYR A 47 2.379 -16.822 -3.738 1.00 0.00 C ATOM 760 OH TYR A 47 1.350 -17.402 -3.055 1.00 0.00 O ATOM 0 H TYR A 47 4.031 -13.709 -7.678 1.00 0.00 H new ATOM 0 HA TYR A 47 6.822 -14.582 -7.508 1.00 0.00 H new ATOM 0 HB2 TYR A 47 6.655 -15.645 -5.471 1.00 0.00 H new ATOM 0 HB3 TYR A 47 5.975 -14.056 -5.180 1.00 0.00 H new ATOM 0 HD1 TYR A 47 3.573 -13.764 -4.707 1.00 0.00 H new ATOM 0 HD2 TYR A 47 5.279 -17.668 -5.333 1.00 0.00 H new ATOM 0 HE1 TYR A 47 1.644 -14.794 -3.526 1.00 0.00 H new ATOM 0 HE2 TYR A 47 3.353 -18.708 -4.163 1.00 0.00 H new ATOM 0 HH TYR A 47 1.345 -18.367 -3.229 1.00 0.00 H new ATOM 770 N CYS A 48 6.063 -16.934 -8.267 1.00 0.00 N ATOM 771 CA CYS A 48 5.695 -18.118 -9.024 1.00 0.00 C ATOM 772 C CYS A 48 6.234 -19.345 -8.274 1.00 0.00 C ATOM 773 O CYS A 48 6.212 -19.352 -7.042 1.00 0.00 O ATOM 774 CB CYS A 48 6.159 -17.940 -10.485 1.00 0.00 C ATOM 775 SG CYS A 48 7.964 -17.847 -10.635 1.00 0.00 S ATOM 0 H CYS A 48 7.034 -16.947 -7.954 1.00 0.00 H new ATOM 0 HA CYS A 48 4.619 -18.274 -9.099 1.00 0.00 H new ATOM 0 HB2 CYS A 48 5.790 -18.773 -11.084 1.00 0.00 H new ATOM 0 HB3 CYS A 48 5.716 -17.032 -10.895 1.00 0.00 H new ATOM 0 HG CYS A 48 8.366 -16.655 -10.306 1.00 0.00 H new ATOM 781 N ASN A 49 6.687 -20.397 -8.965 1.00 0.00 N ATOM 782 CA ASN A 49 7.252 -21.567 -8.285 1.00 0.00 C ATOM 783 C ASN A 49 8.589 -21.219 -7.624 1.00 0.00 C ATOM 784 O ASN A 49 8.770 -21.509 -6.441 1.00 0.00 O ATOM 785 CB ASN A 49 7.414 -22.741 -9.259 1.00 0.00 C ATOM 786 CG ASN A 49 8.000 -23.955 -8.540 1.00 0.00 C ATOM 787 OD1 ASN A 49 9.208 -24.167 -8.544 1.00 0.00 O ATOM 788 ND2 ASN A 49 7.167 -24.768 -7.911 1.00 0.00 N ATOM 0 H ASN A 49 6.674 -20.462 -9.983 1.00 0.00 H new ATOM 0 HA ASN A 49 6.556 -21.872 -7.503 1.00 0.00 H new ATOM 0 HB2 ASN A 49 6.447 -22.999 -9.691 1.00 0.00 H new ATOM 0 HB3 ASN A 49 8.065 -22.450 -10.084 1.00 0.00 H new ATOM 0 HD21 ASN A 49 7.527 -25.586 -7.419 1.00 0.00 H new ATOM 0 HD22 ASN A 49 6.165 -24.577 -7.918 1.00 0.00 H new ATOM 795 N ALA A 50 9.490 -20.543 -8.351 1.00 0.00 N ATOM 796 CA ALA A 50 10.829 -20.210 -7.852 1.00 0.00 C ATOM 797 C ALA A 50 11.360 -18.847 -8.326 1.00 0.00 C ATOM 798 O ALA A 50 12.173 -18.256 -7.615 1.00 0.00 O ATOM 799 CB ALA A 50 11.804 -21.321 -8.262 1.00 0.00 C ATOM 0 H ALA A 50 9.310 -20.213 -9.299 1.00 0.00 H new ATOM 0 HA ALA A 50 10.748 -20.133 -6.768 1.00 0.00 H new ATOM 0 HB1 ALA A 50 12.802 -21.082 -7.896 1.00 0.00 H new ATOM 0 HB2 ALA A 50 11.477 -22.268 -7.834 1.00 0.00 H new ATOM 0 HB3 ALA A 50 11.826 -21.403 -9.349 1.00 0.00 H new ATOM 805 N GLY A 51 10.918 -18.322 -9.478 1.00 0.00 N ATOM 806 CA GLY A 51 11.296 -16.976 -9.920 1.00 0.00 C ATOM 807 C GLY A 51 11.138 -16.707 -11.417 1.00 0.00 C ATOM 808 O GLY A 51 11.006 -15.548 -11.807 1.00 0.00 O ATOM 0 H GLY A 51 10.296 -18.813 -10.121 1.00 0.00 H new ATOM 0 HA2 GLY A 51 10.695 -16.250 -9.373 1.00 0.00 H new ATOM 0 HA3 GLY A 51 12.336 -16.801 -9.645 1.00 0.00 H new ATOM 812 N ARG A 52 11.162 -17.734 -12.280 1.00 0.00 N ATOM 813 CA ARG A 52 11.233 -17.506 -13.731 1.00 0.00 C ATOM 814 C ARG A 52 10.026 -16.736 -14.276 1.00 0.00 C ATOM 815 O ARG A 52 10.210 -15.736 -14.972 1.00 0.00 O ATOM 816 CB ARG A 52 11.519 -18.817 -14.494 1.00 0.00 C ATOM 817 CG ARG A 52 10.438 -19.912 -14.394 1.00 0.00 C ATOM 818 CD ARG A 52 10.889 -21.226 -15.047 1.00 0.00 C ATOM 819 NE ARG A 52 11.050 -21.105 -16.509 1.00 0.00 N ATOM 820 CZ ARG A 52 11.626 -22.013 -17.308 1.00 0.00 C ATOM 821 NH1 ARG A 52 12.113 -23.147 -16.807 1.00 0.00 N ATOM 822 NH2 ARG A 52 11.713 -21.782 -18.614 1.00 0.00 N ATOM 0 H ARG A 52 11.134 -18.716 -12.004 1.00 0.00 H new ATOM 0 HA ARG A 52 12.085 -16.850 -13.910 1.00 0.00 H new ATOM 0 HB2 ARG A 52 11.666 -18.576 -15.547 1.00 0.00 H new ATOM 0 HB3 ARG A 52 12.459 -19.229 -14.127 1.00 0.00 H new ATOM 0 HG2 ARG A 52 10.199 -20.091 -13.346 1.00 0.00 H new ATOM 0 HG3 ARG A 52 9.523 -19.564 -14.874 1.00 0.00 H new ATOM 0 HD2 ARG A 52 11.834 -21.541 -14.606 1.00 0.00 H new ATOM 0 HD3 ARG A 52 10.159 -22.006 -14.828 1.00 0.00 H new ATOM 0 HE ARG A 52 10.692 -20.257 -16.949 1.00 0.00 H new ATOM 0 HH11 ARG A 52 12.049 -23.331 -15.806 1.00 0.00 H new ATOM 0 HH12 ARG A 52 12.550 -23.831 -17.425 1.00 0.00 H new ATOM 0 HH21 ARG A 52 11.342 -20.916 -19.005 1.00 0.00 H new ATOM 0 HH22 ARG A 52 12.151 -22.471 -19.226 1.00 0.00 H new ATOM 836 N GLN A 53 8.798 -17.159 -13.952 1.00 0.00 N ATOM 837 CA GLN A 53 7.604 -16.536 -14.524 1.00 0.00 C ATOM 838 C GLN A 53 7.319 -15.205 -13.831 1.00 0.00 C ATOM 839 O GLN A 53 6.881 -14.263 -14.486 1.00 0.00 O ATOM 840 CB GLN A 53 6.406 -17.502 -14.461 1.00 0.00 C ATOM 841 CG GLN A 53 5.224 -17.068 -15.338 1.00 0.00 C ATOM 842 CD GLN A 53 4.352 -18.252 -15.768 1.00 0.00 C ATOM 843 OE1 GLN A 53 4.730 -19.031 -16.640 1.00 0.00 O ATOM 844 NE2 GLN A 53 3.171 -18.425 -15.194 1.00 0.00 N ATOM 0 H GLN A 53 8.608 -17.923 -13.303 1.00 0.00 H new ATOM 0 HA GLN A 53 7.781 -16.320 -15.578 1.00 0.00 H new ATOM 0 HB2 GLN A 53 6.733 -18.495 -14.771 1.00 0.00 H new ATOM 0 HB3 GLN A 53 6.070 -17.585 -13.427 1.00 0.00 H new ATOM 0 HG2 GLN A 53 4.613 -16.350 -14.791 1.00 0.00 H new ATOM 0 HG3 GLN A 53 5.601 -16.557 -16.224 1.00 0.00 H new ATOM 0 HE21 GLN A 53 2.856 -17.779 -14.470 1.00 0.00 H new ATOM 0 HE22 GLN A 53 2.576 -19.204 -15.476 1.00 0.00 H new ATOM 853 N SER A 54 7.598 -15.087 -12.529 1.00 0.00 N ATOM 854 CA SER A 54 7.407 -13.835 -11.811 1.00 0.00 C ATOM 855 C SER A 54 8.433 -12.788 -12.253 1.00 0.00 C ATOM 856 O SER A 54 8.135 -11.596 -12.210 1.00 0.00 O ATOM 857 CB SER A 54 7.458 -14.099 -10.305 1.00 0.00 C ATOM 858 OG SER A 54 8.663 -14.763 -9.974 1.00 0.00 O ATOM 0 H SER A 54 7.958 -15.849 -11.954 1.00 0.00 H new ATOM 0 HA SER A 54 6.426 -13.425 -12.049 1.00 0.00 H new ATOM 0 HB2 SER A 54 7.389 -13.158 -9.759 1.00 0.00 H new ATOM 0 HB3 SER A 54 6.604 -14.705 -10.004 1.00 0.00 H new ATOM 0 HG SER A 54 8.612 -15.094 -9.053 1.00 0.00 H new ATOM 864 N GLY A 55 9.634 -13.195 -12.674 1.00 0.00 N ATOM 865 CA GLY A 55 10.637 -12.287 -13.212 1.00 0.00 C ATOM 866 C GLY A 55 10.111 -11.644 -14.489 1.00 0.00 C ATOM 867 O GLY A 55 10.092 -10.418 -14.607 1.00 0.00 O ATOM 0 H GLY A 55 9.934 -14.170 -12.649 1.00 0.00 H new ATOM 0 HA2 GLY A 55 10.877 -11.518 -12.478 1.00 0.00 H new ATOM 0 HA3 GLY A 55 11.560 -12.829 -13.419 1.00 0.00 H new ATOM 871 N GLN A 56 9.582 -12.466 -15.403 1.00 0.00 N ATOM 872 CA GLN A 56 8.922 -11.973 -16.603 1.00 0.00 C ATOM 873 C GLN A 56 7.715 -11.102 -16.231 1.00 0.00 C ATOM 874 O GLN A 56 7.505 -10.063 -16.861 1.00 0.00 O ATOM 875 CB GLN A 56 8.539 -13.163 -17.503 1.00 0.00 C ATOM 876 CG GLN A 56 7.923 -12.774 -18.855 1.00 0.00 C ATOM 877 CD GLN A 56 8.816 -11.868 -19.706 1.00 0.00 C ATOM 878 OE1 GLN A 56 9.581 -12.334 -20.547 1.00 0.00 O ATOM 879 NE2 GLN A 56 8.741 -10.559 -19.513 1.00 0.00 N ATOM 0 H GLN A 56 9.602 -13.483 -15.327 1.00 0.00 H new ATOM 0 HA GLN A 56 9.603 -11.337 -17.168 1.00 0.00 H new ATOM 0 HB2 GLN A 56 9.430 -13.765 -17.685 1.00 0.00 H new ATOM 0 HB3 GLN A 56 7.832 -13.795 -16.965 1.00 0.00 H new ATOM 0 HG2 GLN A 56 7.702 -13.681 -19.417 1.00 0.00 H new ATOM 0 HG3 GLN A 56 6.973 -12.269 -18.679 1.00 0.00 H new ATOM 0 HE21 GLN A 56 8.103 -10.183 -18.812 1.00 0.00 H new ATOM 0 HE22 GLN A 56 9.322 -9.928 -20.065 1.00 0.00 H new ATOM 888 N ALA A 57 6.946 -11.486 -15.205 1.00 0.00 N ATOM 889 CA ALA A 57 5.802 -10.718 -14.730 1.00 0.00 C ATOM 890 C ALA A 57 6.213 -9.339 -14.214 1.00 0.00 C ATOM 891 O ALA A 57 5.503 -8.369 -14.477 1.00 0.00 O ATOM 892 CB ALA A 57 5.047 -11.481 -13.638 1.00 0.00 C ATOM 0 H ALA A 57 7.106 -12.346 -14.681 1.00 0.00 H new ATOM 0 HA ALA A 57 5.141 -10.573 -15.584 1.00 0.00 H new ATOM 0 HB1 ALA A 57 4.198 -10.887 -13.300 1.00 0.00 H new ATOM 0 HB2 ALA A 57 4.690 -12.430 -14.038 1.00 0.00 H new ATOM 0 HB3 ALA A 57 5.715 -11.670 -12.798 1.00 0.00 H new ATOM 898 N LYS A 58 7.346 -9.220 -13.506 1.00 0.00 N ATOM 899 CA LYS A 58 7.793 -7.921 -13.009 1.00 0.00 C ATOM 900 C LYS A 58 8.033 -6.982 -14.189 1.00 0.00 C ATOM 901 O LYS A 58 7.638 -5.817 -14.136 1.00 0.00 O ATOM 902 CB LYS A 58 9.016 -8.020 -12.078 1.00 0.00 C ATOM 903 CG LYS A 58 9.480 -6.607 -11.655 1.00 0.00 C ATOM 904 CD LYS A 58 10.320 -6.585 -10.371 1.00 0.00 C ATOM 905 CE LYS A 58 10.785 -5.168 -9.991 1.00 0.00 C ATOM 906 NZ LYS A 58 11.745 -4.583 -10.963 1.00 0.00 N ATOM 0 H LYS A 58 7.959 -10.000 -13.270 1.00 0.00 H new ATOM 0 HA LYS A 58 7.001 -7.506 -12.385 1.00 0.00 H new ATOM 0 HB2 LYS A 58 8.764 -8.607 -11.195 1.00 0.00 H new ATOM 0 HB3 LYS A 58 9.828 -8.541 -12.586 1.00 0.00 H new ATOM 0 HG2 LYS A 58 10.062 -6.169 -12.466 1.00 0.00 H new ATOM 0 HG3 LYS A 58 8.603 -5.975 -11.515 1.00 0.00 H new ATOM 0 HD2 LYS A 58 9.735 -7.003 -9.552 1.00 0.00 H new ATOM 0 HD3 LYS A 58 11.192 -7.227 -10.501 1.00 0.00 H new ATOM 0 HE2 LYS A 58 9.915 -4.516 -9.914 1.00 0.00 H new ATOM 0 HE3 LYS A 58 11.250 -5.198 -9.005 1.00 0.00 H new ATOM 0 HZ1 LYS A 58 12.058 -3.651 -10.624 1.00 0.00 H new ATOM 0 HZ2 LYS A 58 12.569 -5.211 -11.058 1.00 0.00 H new ATOM 0 HZ3 LYS A 58 11.281 -4.477 -11.888 1.00 0.00 H new ATOM 920 N GLU A 59 8.653 -7.481 -15.259 1.00 0.00 N ATOM 921 CA GLU A 59 8.965 -6.669 -16.429 1.00 0.00 C ATOM 922 C GLU A 59 7.667 -6.287 -17.139 1.00 0.00 C ATOM 923 O GLU A 59 7.480 -5.125 -17.490 1.00 0.00 O ATOM 924 CB GLU A 59 9.916 -7.422 -17.373 1.00 0.00 C ATOM 925 CG GLU A 59 11.314 -7.594 -16.762 1.00 0.00 C ATOM 926 CD GLU A 59 12.287 -8.262 -17.750 1.00 0.00 C ATOM 927 OE1 GLU A 59 12.939 -7.546 -18.544 1.00 0.00 O ATOM 928 OE2 GLU A 59 12.431 -9.506 -17.732 1.00 0.00 O ATOM 0 H GLU A 59 8.950 -8.454 -15.336 1.00 0.00 H new ATOM 0 HA GLU A 59 9.473 -5.758 -16.113 1.00 0.00 H new ATOM 0 HB2 GLU A 59 9.498 -8.402 -17.603 1.00 0.00 H new ATOM 0 HB3 GLU A 59 9.996 -6.880 -18.315 1.00 0.00 H new ATOM 0 HG2 GLU A 59 11.705 -6.620 -16.468 1.00 0.00 H new ATOM 0 HG3 GLU A 59 11.244 -8.196 -15.856 1.00 0.00 H new ATOM 935 N ILE A 60 6.742 -7.240 -17.286 1.00 0.00 N ATOM 936 CA ILE A 60 5.427 -7.023 -17.881 1.00 0.00 C ATOM 937 C ILE A 60 4.697 -5.894 -17.145 1.00 0.00 C ATOM 938 O ILE A 60 4.207 -4.964 -17.784 1.00 0.00 O ATOM 939 CB ILE A 60 4.661 -8.370 -17.888 1.00 0.00 C ATOM 940 CG1 ILE A 60 5.150 -9.237 -19.070 1.00 0.00 C ATOM 941 CG2 ILE A 60 3.136 -8.203 -17.938 1.00 0.00 C ATOM 942 CD1 ILE A 60 4.729 -10.710 -18.971 1.00 0.00 C ATOM 0 H ILE A 60 6.893 -8.203 -16.987 1.00 0.00 H new ATOM 0 HA ILE A 60 5.509 -6.693 -18.917 1.00 0.00 H new ATOM 0 HB ILE A 60 4.879 -8.867 -16.943 1.00 0.00 H new ATOM 0 HG12 ILE A 60 4.763 -8.820 -20.000 1.00 0.00 H new ATOM 0 HG13 ILE A 60 6.237 -9.182 -19.124 1.00 0.00 H new ATOM 0 HG21 ILE A 60 2.662 -9.185 -17.940 1.00 0.00 H new ATOM 0 HG22 ILE A 60 2.803 -7.641 -17.065 1.00 0.00 H new ATOM 0 HG23 ILE A 60 2.859 -7.664 -18.844 1.00 0.00 H new ATOM 0 HD11 ILE A 60 5.108 -11.256 -19.835 1.00 0.00 H new ATOM 0 HD12 ILE A 60 5.138 -11.145 -18.059 1.00 0.00 H new ATOM 0 HD13 ILE A 60 3.641 -10.777 -18.948 1.00 0.00 H new ATOM 954 N LEU A 61 4.624 -5.944 -15.813 1.00 0.00 N ATOM 955 CA LEU A 61 3.877 -4.945 -15.056 1.00 0.00 C ATOM 956 C LEU A 61 4.604 -3.600 -15.045 1.00 0.00 C ATOM 957 O LEU A 61 3.945 -2.559 -15.060 1.00 0.00 O ATOM 958 CB LEU A 61 3.584 -5.444 -13.635 1.00 0.00 C ATOM 959 CG LEU A 61 2.594 -6.624 -13.556 1.00 0.00 C ATOM 960 CD1 LEU A 61 2.269 -6.914 -12.086 1.00 0.00 C ATOM 961 CD2 LEU A 61 1.294 -6.360 -14.328 1.00 0.00 C ATOM 0 H LEU A 61 5.071 -6.662 -15.242 1.00 0.00 H new ATOM 0 HA LEU A 61 2.920 -4.789 -15.554 1.00 0.00 H new ATOM 0 HB2 LEU A 61 4.523 -5.744 -13.169 1.00 0.00 H new ATOM 0 HB3 LEU A 61 3.188 -4.615 -13.048 1.00 0.00 H new ATOM 0 HG LEU A 61 3.074 -7.485 -14.022 1.00 0.00 H new ATOM 0 HD11 LEU A 61 1.569 -7.748 -12.026 1.00 0.00 H new ATOM 0 HD12 LEU A 61 3.185 -7.170 -11.554 1.00 0.00 H new ATOM 0 HD13 LEU A 61 1.821 -6.031 -11.631 1.00 0.00 H new ATOM 0 HD21 LEU A 61 0.635 -7.224 -14.238 1.00 0.00 H new ATOM 0 HD22 LEU A 61 0.798 -5.481 -13.916 1.00 0.00 H new ATOM 0 HD23 LEU A 61 1.524 -6.188 -15.379 1.00 0.00 H new ATOM 973 N SER A 62 5.938 -3.600 -15.084 1.00 0.00 N ATOM 974 CA SER A 62 6.707 -2.374 -15.245 1.00 0.00 C ATOM 975 C SER A 62 6.386 -1.721 -16.599 1.00 0.00 C ATOM 976 O SER A 62 6.178 -0.510 -16.657 1.00 0.00 O ATOM 977 CB SER A 62 8.206 -2.665 -15.096 1.00 0.00 C ATOM 978 OG SER A 62 8.484 -3.290 -13.853 1.00 0.00 O ATOM 0 H SER A 62 6.507 -4.443 -15.005 1.00 0.00 H new ATOM 0 HA SER A 62 6.428 -1.669 -14.462 1.00 0.00 H new ATOM 0 HB2 SER A 62 8.538 -3.307 -15.912 1.00 0.00 H new ATOM 0 HB3 SER A 62 8.770 -1.735 -15.173 1.00 0.00 H new ATOM 0 HG SER A 62 8.361 -4.258 -13.939 1.00 0.00 H new ATOM 984 N GLU A 63 6.263 -2.506 -17.677 1.00 0.00 N ATOM 985 CA GLU A 63 5.871 -2.011 -18.994 1.00 0.00 C ATOM 986 C GLU A 63 4.406 -1.547 -19.006 1.00 0.00 C ATOM 987 O GLU A 63 4.083 -0.580 -19.698 1.00 0.00 O ATOM 988 CB GLU A 63 6.117 -3.086 -20.068 1.00 0.00 C ATOM 989 CG GLU A 63 7.605 -3.301 -20.390 1.00 0.00 C ATOM 990 CD GLU A 63 8.229 -2.099 -21.124 1.00 0.00 C ATOM 991 OE1 GLU A 63 8.076 -1.988 -22.362 1.00 0.00 O ATOM 992 OE2 GLU A 63 8.899 -1.261 -20.478 1.00 0.00 O ATOM 0 H GLU A 63 6.435 -3.511 -17.655 1.00 0.00 H new ATOM 0 HA GLU A 63 6.490 -1.144 -19.225 1.00 0.00 H new ATOM 0 HB2 GLU A 63 5.686 -4.029 -19.732 1.00 0.00 H new ATOM 0 HB3 GLU A 63 5.593 -2.803 -20.981 1.00 0.00 H new ATOM 0 HG2 GLU A 63 8.151 -3.481 -19.464 1.00 0.00 H new ATOM 0 HG3 GLU A 63 7.715 -4.195 -21.004 1.00 0.00 H new ATOM 999 N MET A 64 3.529 -2.169 -18.206 1.00 0.00 N ATOM 1000 CA MET A 64 2.162 -1.687 -17.973 1.00 0.00 C ATOM 1001 C MET A 64 2.137 -0.379 -17.162 1.00 0.00 C ATOM 1002 O MET A 64 1.071 0.217 -16.997 1.00 0.00 O ATOM 1003 CB MET A 64 1.302 -2.755 -17.274 1.00 0.00 C ATOM 1004 CG MET A 64 1.110 -4.033 -18.102 1.00 0.00 C ATOM 1005 SD MET A 64 -0.621 -4.495 -18.391 1.00 0.00 S ATOM 1006 CE MET A 64 -1.163 -4.896 -16.705 1.00 0.00 C ATOM 0 H MET A 64 3.750 -3.026 -17.699 1.00 0.00 H new ATOM 0 HA MET A 64 1.737 -1.481 -18.955 1.00 0.00 H new ATOM 0 HB2 MET A 64 1.765 -3.016 -16.322 1.00 0.00 H new ATOM 0 HB3 MET A 64 0.324 -2.330 -17.047 1.00 0.00 H new ATOM 0 HG2 MET A 64 1.603 -3.903 -19.065 1.00 0.00 H new ATOM 0 HG3 MET A 64 1.612 -4.857 -17.595 1.00 0.00 H new ATOM 0 HE1 MET A 64 -2.238 -5.078 -16.702 1.00 0.00 H new ATOM 0 HE2 MET A 64 -0.643 -5.789 -16.358 1.00 0.00 H new ATOM 0 HE3 MET A 64 -0.934 -4.062 -16.041 1.00 0.00 H new ATOM 1016 N GLY A 65 3.283 0.083 -16.653 1.00 0.00 N ATOM 1017 CA GLY A 65 3.414 1.358 -15.968 1.00 0.00 C ATOM 1018 C GLY A 65 3.106 1.261 -14.476 1.00 0.00 C ATOM 1019 O GLY A 65 2.904 2.300 -13.848 1.00 0.00 O ATOM 0 H GLY A 65 4.160 -0.435 -16.711 1.00 0.00 H new ATOM 0 HA2 GLY A 65 4.428 1.735 -16.101 1.00 0.00 H new ATOM 0 HA3 GLY A 65 2.742 2.083 -16.427 1.00 0.00 H new ATOM 1023 N TYR A 66 3.046 0.057 -13.894 1.00 0.00 N ATOM 1024 CA TYR A 66 2.976 -0.084 -12.444 1.00 0.00 C ATOM 1025 C TYR A 66 4.318 0.398 -11.884 1.00 0.00 C ATOM 1026 O TYR A 66 5.379 0.017 -12.385 1.00 0.00 O ATOM 1027 CB TYR A 66 2.621 -1.522 -12.030 1.00 0.00 C ATOM 1028 CG TYR A 66 1.144 -1.869 -12.162 1.00 0.00 C ATOM 1029 CD1 TYR A 66 0.505 -1.828 -13.418 1.00 0.00 C ATOM 1030 CD2 TYR A 66 0.394 -2.200 -11.013 1.00 0.00 C ATOM 1031 CE1 TYR A 66 -0.886 -2.014 -13.515 1.00 0.00 C ATOM 1032 CE2 TYR A 66 -0.993 -2.414 -11.106 1.00 0.00 C ATOM 1033 CZ TYR A 66 -1.646 -2.261 -12.350 1.00 0.00 C ATOM 1034 OH TYR A 66 -3.002 -2.321 -12.431 1.00 0.00 O ATOM 0 H TYR A 66 3.045 -0.825 -14.406 1.00 0.00 H new ATOM 0 HA TYR A 66 2.172 0.523 -12.027 1.00 0.00 H new ATOM 0 HB2 TYR A 66 3.200 -2.216 -12.639 1.00 0.00 H new ATOM 0 HB3 TYR A 66 2.926 -1.675 -10.995 1.00 0.00 H new ATOM 0 HD1 TYR A 66 1.087 -1.653 -14.311 1.00 0.00 H new ATOM 0 HD2 TYR A 66 0.888 -2.289 -10.057 1.00 0.00 H new ATOM 0 HE1 TYR A 66 -1.372 -1.968 -14.478 1.00 0.00 H new ATOM 0 HE2 TYR A 66 -1.558 -2.695 -10.229 1.00 0.00 H new ATOM 0 HH TYR A 66 -3.381 -2.377 -11.529 1.00 0.00 H new ATOM 1044 N THR A 67 4.275 1.247 -10.860 1.00 0.00 N ATOM 1045 CA THR A 67 5.422 2.005 -10.370 1.00 0.00 C ATOM 1046 C THR A 67 6.054 1.395 -9.115 1.00 0.00 C ATOM 1047 O THR A 67 7.110 1.866 -8.685 1.00 0.00 O ATOM 1048 CB THR A 67 4.970 3.459 -10.125 1.00 0.00 C ATOM 1049 OG1 THR A 67 3.738 3.482 -9.426 1.00 0.00 O ATOM 1050 CG2 THR A 67 4.762 4.212 -11.442 1.00 0.00 C ATOM 0 H THR A 67 3.420 1.431 -10.335 1.00 0.00 H new ATOM 0 HA THR A 67 6.206 1.975 -11.126 1.00 0.00 H new ATOM 0 HB THR A 67 5.757 3.940 -9.544 1.00 0.00 H new ATOM 0 HG1 THR A 67 3.464 4.411 -9.276 1.00 0.00 H new ATOM 0 HG21 THR A 67 4.444 5.233 -11.231 1.00 0.00 H new ATOM 0 HG22 THR A 67 5.697 4.232 -12.002 1.00 0.00 H new ATOM 0 HG23 THR A 67 3.997 3.708 -12.032 1.00 0.00 H new ATOM 1058 N HIS A 68 5.450 0.352 -8.529 1.00 0.00 N ATOM 1059 CA HIS A 68 5.892 -0.207 -7.250 1.00 0.00 C ATOM 1060 C HIS A 68 5.911 -1.738 -7.260 1.00 0.00 C ATOM 1061 O HIS A 68 5.814 -2.386 -6.220 1.00 0.00 O ATOM 1062 CB HIS A 68 5.047 0.402 -6.112 1.00 0.00 C ATOM 1063 CG HIS A 68 5.870 0.923 -4.965 1.00 0.00 C ATOM 1064 ND1 HIS A 68 5.928 0.418 -3.685 1.00 0.00 N ATOM 1065 CD2 HIS A 68 6.659 2.040 -4.997 1.00 0.00 C ATOM 1066 CE1 HIS A 68 6.742 1.208 -2.966 1.00 0.00 C ATOM 1067 NE2 HIS A 68 7.218 2.216 -3.723 1.00 0.00 N ATOM 0 H HIS A 68 4.643 -0.125 -8.930 1.00 0.00 H new ATOM 0 HA HIS A 68 6.931 0.070 -7.073 1.00 0.00 H new ATOM 0 HB2 HIS A 68 4.443 1.215 -6.514 1.00 0.00 H new ATOM 0 HB3 HIS A 68 4.356 -0.354 -5.739 1.00 0.00 H new ATOM 0 HD1 HIS A 68 5.439 -0.410 -3.344 1.00 0.00 H new ATOM 0 HD2 HIS A 68 6.823 2.676 -5.854 1.00 0.00 H new ATOM 0 HE1 HIS A 68 6.982 1.056 -1.924 1.00 0.00 H new ATOM 1075 N VAL A 69 6.043 -2.326 -8.448 1.00 0.00 N ATOM 1076 CA VAL A 69 6.153 -3.773 -8.609 1.00 0.00 C ATOM 1077 C VAL A 69 7.416 -4.240 -7.878 1.00 0.00 C ATOM 1078 O VAL A 69 8.449 -3.564 -7.919 1.00 0.00 O ATOM 1079 CB VAL A 69 6.206 -4.168 -10.102 1.00 0.00 C ATOM 1080 CG1 VAL A 69 6.014 -5.683 -10.279 1.00 0.00 C ATOM 1081 CG2 VAL A 69 5.134 -3.461 -10.942 1.00 0.00 C ATOM 0 H VAL A 69 6.077 -1.810 -9.327 1.00 0.00 H new ATOM 0 HA VAL A 69 5.274 -4.257 -8.184 1.00 0.00 H new ATOM 0 HB VAL A 69 7.191 -3.859 -10.451 1.00 0.00 H new ATOM 0 HG11 VAL A 69 6.056 -5.934 -11.339 1.00 0.00 H new ATOM 0 HG12 VAL A 69 6.805 -6.214 -9.749 1.00 0.00 H new ATOM 0 HG13 VAL A 69 5.045 -5.977 -9.875 1.00 0.00 H new ATOM 0 HG21 VAL A 69 5.219 -3.777 -11.982 1.00 0.00 H new ATOM 0 HG22 VAL A 69 4.145 -3.721 -10.564 1.00 0.00 H new ATOM 0 HG23 VAL A 69 5.275 -2.382 -10.878 1.00 0.00 H new ATOM 1091 N GLU A 70 7.362 -5.423 -7.273 1.00 0.00 N ATOM 1092 CA GLU A 70 8.523 -6.103 -6.732 1.00 0.00 C ATOM 1093 C GLU A 70 8.419 -7.574 -7.123 1.00 0.00 C ATOM 1094 O GLU A 70 7.322 -8.108 -7.303 1.00 0.00 O ATOM 1095 CB GLU A 70 8.593 -5.899 -5.210 1.00 0.00 C ATOM 1096 CG GLU A 70 9.849 -6.502 -4.565 1.00 0.00 C ATOM 1097 CD GLU A 70 11.156 -5.941 -5.152 1.00 0.00 C ATOM 1098 OE1 GLU A 70 11.584 -6.427 -6.223 1.00 0.00 O ATOM 1099 OE2 GLU A 70 11.761 -5.027 -4.547 1.00 0.00 O ATOM 0 H GLU A 70 6.492 -5.941 -7.145 1.00 0.00 H new ATOM 0 HA GLU A 70 9.449 -5.695 -7.138 1.00 0.00 H new ATOM 0 HB2 GLU A 70 8.561 -4.831 -4.993 1.00 0.00 H new ATOM 0 HB3 GLU A 70 7.710 -6.344 -4.751 1.00 0.00 H new ATOM 0 HG2 GLU A 70 9.827 -6.310 -3.492 1.00 0.00 H new ATOM 0 HG3 GLU A 70 9.834 -7.584 -4.696 1.00 0.00 H new ATOM 1106 N ASN A 71 9.568 -8.227 -7.265 1.00 0.00 N ATOM 1107 CA ASN A 71 9.643 -9.644 -7.555 1.00 0.00 C ATOM 1108 C ASN A 71 10.013 -10.358 -6.264 1.00 0.00 C ATOM 1109 O ASN A 71 11.027 -10.024 -5.647 1.00 0.00 O ATOM 1110 CB ASN A 71 10.695 -9.916 -8.634 1.00 0.00 C ATOM 1111 CG ASN A 71 10.706 -11.403 -8.921 1.00 0.00 C ATOM 1112 OD1 ASN A 71 11.445 -12.168 -8.314 1.00 0.00 O ATOM 1113 ND2 ASN A 71 9.819 -11.852 -9.785 1.00 0.00 N ATOM 0 H ASN A 71 10.480 -7.777 -7.180 1.00 0.00 H new ATOM 0 HA ASN A 71 8.686 -10.005 -7.930 1.00 0.00 H new ATOM 0 HB2 ASN A 71 10.464 -9.356 -9.540 1.00 0.00 H new ATOM 0 HB3 ASN A 71 11.678 -9.587 -8.298 1.00 0.00 H new ATOM 0 HD21 ASN A 71 9.738 -12.854 -9.959 1.00 0.00 H new ATOM 0 HD22 ASN A 71 9.213 -11.198 -10.280 1.00 0.00 H new ATOM 1120 N ALA A 72 9.205 -11.340 -5.865 1.00 0.00 N ATOM 1121 CA ALA A 72 9.406 -12.092 -4.633 1.00 0.00 C ATOM 1122 C ALA A 72 9.905 -13.519 -4.919 1.00 0.00 C ATOM 1123 O ALA A 72 9.878 -14.368 -4.029 1.00 0.00 O ATOM 1124 CB ALA A 72 8.114 -12.059 -3.810 1.00 0.00 C ATOM 0 H ALA A 72 8.386 -11.636 -6.395 1.00 0.00 H new ATOM 0 HA ALA A 72 10.193 -11.625 -4.041 1.00 0.00 H new ATOM 0 HB1 ALA A 72 8.257 -12.620 -2.886 1.00 0.00 H new ATOM 0 HB2 ALA A 72 7.861 -11.026 -3.572 1.00 0.00 H new ATOM 0 HB3 ALA A 72 7.304 -12.508 -4.386 1.00 0.00 H new ATOM 1130 N GLY A 73 10.366 -13.802 -6.142 1.00 0.00 N ATOM 1131 CA GLY A 73 10.862 -15.111 -6.532 1.00 0.00 C ATOM 1132 C GLY A 73 9.697 -16.078 -6.655 1.00 0.00 C ATOM 1133 O GLY A 73 8.854 -15.928 -7.545 1.00 0.00 O ATOM 0 H GLY A 73 10.402 -13.114 -6.894 1.00 0.00 H new ATOM 0 HA2 GLY A 73 11.393 -15.042 -7.481 1.00 0.00 H new ATOM 0 HA3 GLY A 73 11.575 -15.476 -5.793 1.00 0.00 H new ATOM 1137 N GLY A 74 9.617 -17.064 -5.769 1.00 0.00 N ATOM 1138 CA GLY A 74 8.554 -18.043 -5.803 1.00 0.00 C ATOM 1139 C GLY A 74 8.483 -18.836 -4.515 1.00 0.00 C ATOM 1140 O GLY A 74 9.374 -18.741 -3.670 1.00 0.00 O ATOM 0 H GLY A 74 10.287 -17.201 -5.013 1.00 0.00 H new ATOM 0 HA2 GLY A 74 7.602 -17.541 -5.974 1.00 0.00 H new ATOM 0 HA3 GLY A 74 8.711 -18.722 -6.641 1.00 0.00 H new ATOM 1144 N LEU A 75 7.411 -19.614 -4.360 1.00 0.00 N ATOM 1145 CA LEU A 75 7.062 -20.269 -3.103 1.00 0.00 C ATOM 1146 C LEU A 75 8.211 -21.116 -2.544 1.00 0.00 C ATOM 1147 O LEU A 75 8.384 -21.170 -1.327 1.00 0.00 O ATOM 1148 CB LEU A 75 5.811 -21.141 -3.321 1.00 0.00 C ATOM 1149 CG LEU A 75 5.180 -21.642 -2.006 1.00 0.00 C ATOM 1150 CD1 LEU A 75 4.429 -20.513 -1.290 1.00 0.00 C ATOM 1151 CD2 LEU A 75 4.205 -22.784 -2.286 1.00 0.00 C ATOM 0 H LEU A 75 6.753 -19.808 -5.115 1.00 0.00 H new ATOM 0 HA LEU A 75 6.858 -19.494 -2.365 1.00 0.00 H new ATOM 0 HB2 LEU A 75 5.069 -20.567 -3.876 1.00 0.00 H new ATOM 0 HB3 LEU A 75 6.078 -21.999 -3.938 1.00 0.00 H new ATOM 0 HG LEU A 75 5.989 -21.995 -1.366 1.00 0.00 H new ATOM 0 HD11 LEU A 75 3.994 -20.894 -0.366 1.00 0.00 H new ATOM 0 HD12 LEU A 75 5.122 -19.705 -1.058 1.00 0.00 H new ATOM 0 HD13 LEU A 75 3.636 -20.137 -1.936 1.00 0.00 H new ATOM 0 HD21 LEU A 75 3.768 -23.127 -1.348 1.00 0.00 H new ATOM 0 HD22 LEU A 75 3.414 -22.433 -2.948 1.00 0.00 H new ATOM 0 HD23 LEU A 75 4.737 -23.608 -2.761 1.00 0.00 H new ATOM 1163 N LYS A 76 9.011 -21.748 -3.412 1.00 0.00 N ATOM 1164 CA LYS A 76 10.133 -22.592 -2.997 1.00 0.00 C ATOM 1165 C LYS A 76 11.280 -21.802 -2.355 1.00 0.00 C ATOM 1166 O LYS A 76 12.161 -22.419 -1.755 1.00 0.00 O ATOM 1167 CB LYS A 76 10.646 -23.411 -4.199 1.00 0.00 C ATOM 1168 CG LYS A 76 9.620 -24.394 -4.799 1.00 0.00 C ATOM 1169 CD LYS A 76 9.070 -25.450 -3.823 1.00 0.00 C ATOM 1170 CE LYS A 76 10.142 -26.320 -3.143 1.00 0.00 C ATOM 1171 NZ LYS A 76 10.863 -27.207 -4.092 1.00 0.00 N ATOM 0 H LYS A 76 8.896 -21.687 -4.424 1.00 0.00 H new ATOM 0 HA LYS A 76 9.757 -23.264 -2.225 1.00 0.00 H new ATOM 0 HB2 LYS A 76 10.967 -22.721 -4.980 1.00 0.00 H new ATOM 0 HB3 LYS A 76 11.527 -23.973 -3.888 1.00 0.00 H new ATOM 0 HG2 LYS A 76 8.783 -23.821 -5.197 1.00 0.00 H new ATOM 0 HG3 LYS A 76 10.084 -24.908 -5.641 1.00 0.00 H new ATOM 0 HD2 LYS A 76 8.490 -24.944 -3.051 1.00 0.00 H new ATOM 0 HD3 LYS A 76 8.383 -26.101 -4.363 1.00 0.00 H new ATOM 0 HE2 LYS A 76 10.862 -25.673 -2.642 1.00 0.00 H new ATOM 0 HE3 LYS A 76 9.671 -26.930 -2.372 1.00 0.00 H new ATOM 0 HZ1 LYS A 76 11.571 -27.767 -3.575 1.00 0.00 H new ATOM 0 HZ2 LYS A 76 10.185 -27.847 -4.553 1.00 0.00 H new ATOM 0 HZ3 LYS A 76 11.339 -26.629 -4.814 1.00 0.00 H new ATOM 1185 N ASP A 77 11.287 -20.471 -2.455 1.00 0.00 N ATOM 1186 CA ASP A 77 12.341 -19.601 -1.927 1.00 0.00 C ATOM 1187 C ASP A 77 11.796 -18.592 -0.908 1.00 0.00 C ATOM 1188 O ASP A 77 12.549 -18.109 -0.061 1.00 0.00 O ATOM 1189 CB ASP A 77 13.017 -18.870 -3.093 1.00 0.00 C ATOM 1190 CG ASP A 77 14.148 -17.948 -2.607 1.00 0.00 C ATOM 1191 OD1 ASP A 77 15.206 -18.459 -2.175 1.00 0.00 O ATOM 1192 OD2 ASP A 77 14.006 -16.708 -2.699 1.00 0.00 O ATOM 0 H ASP A 77 10.539 -19.954 -2.918 1.00 0.00 H new ATOM 0 HA ASP A 77 13.068 -20.221 -1.403 1.00 0.00 H new ATOM 0 HB2 ASP A 77 13.419 -19.600 -3.796 1.00 0.00 H new ATOM 0 HB3 ASP A 77 12.275 -18.282 -3.633 1.00 0.00 H new ATOM 1197 N ILE A 78 10.493 -18.293 -0.951 1.00 0.00 N ATOM 1198 CA ILE A 78 9.838 -17.371 -0.023 1.00 0.00 C ATOM 1199 C ILE A 78 9.888 -17.967 1.391 1.00 0.00 C ATOM 1200 O ILE A 78 9.559 -19.140 1.586 1.00 0.00 O ATOM 1201 CB ILE A 78 8.397 -17.070 -0.517 1.00 0.00 C ATOM 1202 CG1 ILE A 78 8.471 -16.156 -1.757 1.00 0.00 C ATOM 1203 CG2 ILE A 78 7.535 -16.400 0.568 1.00 0.00 C ATOM 1204 CD1 ILE A 78 7.139 -15.910 -2.470 1.00 0.00 C ATOM 0 H ILE A 78 9.857 -18.691 -1.642 1.00 0.00 H new ATOM 0 HA ILE A 78 10.358 -16.414 0.014 1.00 0.00 H new ATOM 0 HB ILE A 78 7.923 -18.020 -0.766 1.00 0.00 H new ATOM 0 HG12 ILE A 78 8.885 -15.194 -1.455 1.00 0.00 H new ATOM 0 HG13 ILE A 78 9.170 -16.594 -2.469 1.00 0.00 H new ATOM 0 HG21 ILE A 78 6.537 -16.210 0.174 1.00 0.00 H new ATOM 0 HG22 ILE A 78 7.464 -17.058 1.434 1.00 0.00 H new ATOM 0 HG23 ILE A 78 7.993 -15.457 0.866 1.00 0.00 H new ATOM 0 HD11 ILE A 78 7.300 -15.256 -3.327 1.00 0.00 H new ATOM 0 HD12 ILE A 78 6.728 -16.860 -2.811 1.00 0.00 H new ATOM 0 HD13 ILE A 78 6.439 -15.438 -1.780 1.00 0.00 H new ATOM 1216 N ALA A 79 10.205 -17.134 2.391 1.00 0.00 N ATOM 1217 CA ALA A 79 10.279 -17.518 3.805 1.00 0.00 C ATOM 1218 C ALA A 79 9.184 -16.847 4.647 1.00 0.00 C ATOM 1219 O ALA A 79 9.303 -16.711 5.866 1.00 0.00 O ATOM 1220 CB ALA A 79 11.697 -17.252 4.331 1.00 0.00 C ATOM 0 H ALA A 79 10.422 -16.150 2.234 1.00 0.00 H new ATOM 0 HA ALA A 79 10.083 -18.587 3.894 1.00 0.00 H new ATOM 0 HB1 ALA A 79 11.755 -17.537 5.382 1.00 0.00 H new ATOM 0 HB2 ALA A 79 12.414 -17.838 3.756 1.00 0.00 H new ATOM 0 HB3 ALA A 79 11.930 -16.192 4.229 1.00 0.00 H new ATOM 1226 N MET A 80 8.113 -16.428 3.977 1.00 0.00 N ATOM 1227 CA MET A 80 6.871 -15.975 4.602 1.00 0.00 C ATOM 1228 C MET A 80 6.044 -17.206 5.008 1.00 0.00 C ATOM 1229 O MET A 80 6.248 -18.282 4.425 1.00 0.00 O ATOM 1230 CB MET A 80 6.059 -15.113 3.617 1.00 0.00 C ATOM 1231 CG MET A 80 6.747 -13.791 3.254 1.00 0.00 C ATOM 1232 SD MET A 80 6.967 -12.612 4.619 1.00 0.00 S ATOM 1233 CE MET A 80 5.254 -12.055 4.850 1.00 0.00 C ATOM 0 H MET A 80 8.083 -16.393 2.958 1.00 0.00 H new ATOM 0 HA MET A 80 7.107 -15.373 5.480 1.00 0.00 H new ATOM 0 HB2 MET A 80 5.883 -15.684 2.706 1.00 0.00 H new ATOM 0 HB3 MET A 80 5.083 -14.899 4.053 1.00 0.00 H new ATOM 0 HG2 MET A 80 7.727 -14.017 2.833 1.00 0.00 H new ATOM 0 HG3 MET A 80 6.167 -13.305 2.469 1.00 0.00 H new ATOM 0 HE1 MET A 80 5.225 -11.272 5.608 1.00 0.00 H new ATOM 0 HE2 MET A 80 4.869 -11.663 3.909 1.00 0.00 H new ATOM 0 HE3 MET A 80 4.639 -12.895 5.172 1.00 0.00 H new ATOM 1243 N PRO A 81 5.103 -17.065 5.964 1.00 0.00 N ATOM 1244 CA PRO A 81 4.110 -18.087 6.282 1.00 0.00 C ATOM 1245 C PRO A 81 3.332 -18.550 5.046 1.00 0.00 C ATOM 1246 O PRO A 81 3.156 -17.798 4.080 1.00 0.00 O ATOM 1247 CB PRO A 81 3.170 -17.455 7.316 1.00 0.00 C ATOM 1248 CG PRO A 81 4.032 -16.384 7.977 1.00 0.00 C ATOM 1249 CD PRO A 81 4.914 -15.905 6.827 1.00 0.00 C ATOM 0 HA PRO A 81 4.597 -18.982 6.669 1.00 0.00 H new ATOM 0 HB2 PRO A 81 2.287 -17.024 6.844 1.00 0.00 H new ATOM 0 HB3 PRO A 81 2.818 -18.190 8.040 1.00 0.00 H new ATOM 0 HG2 PRO A 81 3.428 -15.575 8.388 1.00 0.00 H new ATOM 0 HG3 PRO A 81 4.623 -16.790 8.798 1.00 0.00 H new ATOM 0 HD2 PRO A 81 4.440 -15.087 6.285 1.00 0.00 H new ATOM 0 HD3 PRO A 81 5.869 -15.532 7.196 1.00 0.00 H new ATOM 1257 N LYS A 82 2.815 -19.779 5.092 1.00 0.00 N ATOM 1258 CA LYS A 82 2.135 -20.430 3.974 1.00 0.00 C ATOM 1259 C LYS A 82 0.880 -21.123 4.486 1.00 0.00 C ATOM 1260 O LYS A 82 0.744 -21.367 5.688 1.00 0.00 O ATOM 1261 CB LYS A 82 3.075 -21.443 3.286 1.00 0.00 C ATOM 1262 CG LYS A 82 4.340 -20.779 2.722 1.00 0.00 C ATOM 1263 CD LYS A 82 5.324 -21.797 2.132 1.00 0.00 C ATOM 1264 CE LYS A 82 6.619 -21.113 1.662 1.00 0.00 C ATOM 1265 NZ LYS A 82 7.408 -20.532 2.781 1.00 0.00 N ATOM 0 H LYS A 82 2.859 -20.362 5.928 1.00 0.00 H new ATOM 0 HA LYS A 82 1.854 -19.680 3.235 1.00 0.00 H new ATOM 0 HB2 LYS A 82 3.361 -22.213 4.002 1.00 0.00 H new ATOM 0 HB3 LYS A 82 2.539 -21.942 2.478 1.00 0.00 H new ATOM 0 HG2 LYS A 82 4.057 -20.062 1.951 1.00 0.00 H new ATOM 0 HG3 LYS A 82 4.835 -20.217 3.514 1.00 0.00 H new ATOM 0 HD2 LYS A 82 5.560 -22.554 2.880 1.00 0.00 H new ATOM 0 HD3 LYS A 82 4.857 -22.313 1.293 1.00 0.00 H new ATOM 0 HE2 LYS A 82 7.234 -21.838 1.129 1.00 0.00 H new ATOM 0 HE3 LYS A 82 6.370 -20.324 0.952 1.00 0.00 H new ATOM 0 HZ1 LYS A 82 8.285 -20.115 2.408 1.00 0.00 H new ATOM 0 HZ2 LYS A 82 6.848 -19.795 3.254 1.00 0.00 H new ATOM 0 HZ3 LYS A 82 7.644 -21.280 3.464 1.00 0.00 H new ATOM 1279 N VAL A 83 -0.021 -21.457 3.570 1.00 0.00 N ATOM 1280 CA VAL A 83 -1.296 -22.100 3.839 1.00 0.00 C ATOM 1281 C VAL A 83 -1.415 -23.209 2.799 1.00 0.00 C ATOM 1282 O VAL A 83 -1.267 -22.957 1.600 1.00 0.00 O ATOM 1283 CB VAL A 83 -2.431 -21.057 3.735 1.00 0.00 C ATOM 1284 CG1 VAL A 83 -3.814 -21.685 3.959 1.00 0.00 C ATOM 1285 CG2 VAL A 83 -2.258 -19.919 4.758 1.00 0.00 C ATOM 0 H VAL A 83 0.126 -21.278 2.577 1.00 0.00 H new ATOM 0 HA VAL A 83 -1.366 -22.519 4.843 1.00 0.00 H new ATOM 0 HB VAL A 83 -2.369 -20.659 2.722 1.00 0.00 H new ATOM 0 HG11 VAL A 83 -4.581 -20.915 3.877 1.00 0.00 H new ATOM 0 HG12 VAL A 83 -3.990 -22.454 3.207 1.00 0.00 H new ATOM 0 HG13 VAL A 83 -3.854 -22.132 4.952 1.00 0.00 H new ATOM 0 HG21 VAL A 83 -3.076 -19.207 4.652 1.00 0.00 H new ATOM 0 HG22 VAL A 83 -2.265 -20.332 5.767 1.00 0.00 H new ATOM 0 HG23 VAL A 83 -1.310 -19.411 4.581 1.00 0.00 H new ATOM 1295 N LYS A 84 -1.630 -24.444 3.259 1.00 0.00 N ATOM 1296 CA LYS A 84 -1.858 -25.597 2.390 1.00 0.00 C ATOM 1297 C LYS A 84 -3.342 -25.683 2.035 1.00 0.00 C ATOM 1298 O LYS A 84 -4.189 -25.156 2.763 1.00 0.00 O ATOM 1299 CB LYS A 84 -1.384 -26.885 3.083 1.00 0.00 C ATOM 1300 CG LYS A 84 0.148 -26.943 3.190 1.00 0.00 C ATOM 1301 CD LYS A 84 0.599 -28.206 3.939 1.00 0.00 C ATOM 1302 CE LYS A 84 2.120 -28.426 3.901 1.00 0.00 C ATOM 1303 NZ LYS A 84 2.892 -27.315 4.508 1.00 0.00 N ATOM 0 H LYS A 84 -1.651 -24.672 4.253 1.00 0.00 H new ATOM 0 HA LYS A 84 -1.285 -25.478 1.471 1.00 0.00 H new ATOM 0 HB2 LYS A 84 -1.821 -26.944 4.080 1.00 0.00 H new ATOM 0 HB3 LYS A 84 -1.743 -27.751 2.526 1.00 0.00 H new ATOM 0 HG2 LYS A 84 0.587 -26.931 2.192 1.00 0.00 H new ATOM 0 HG3 LYS A 84 0.514 -26.057 3.710 1.00 0.00 H new ATOM 0 HD2 LYS A 84 0.275 -28.139 4.977 1.00 0.00 H new ATOM 0 HD3 LYS A 84 0.103 -29.074 3.505 1.00 0.00 H new ATOM 0 HE2 LYS A 84 2.359 -29.352 4.424 1.00 0.00 H new ATOM 0 HE3 LYS A 84 2.435 -28.554 2.865 1.00 0.00 H new ATOM 0 HZ1 LYS A 84 3.892 -27.590 4.589 1.00 0.00 H new ATOM 0 HZ2 LYS A 84 2.813 -26.469 3.908 1.00 0.00 H new ATOM 0 HZ3 LYS A 84 2.513 -27.105 5.454 1.00 0.00 H new ATOM 1317 N GLY A 85 -3.651 -26.364 0.931 1.00 0.00 N ATOM 1318 CA GLY A 85 -5.014 -26.709 0.550 1.00 0.00 C ATOM 1319 C GLY A 85 -5.701 -27.468 1.680 1.00 0.00 C ATOM 1320 O GLY A 85 -5.091 -28.412 2.225 1.00 0.00 O ATOM 1321 OXT GLY A 85 -6.855 -27.130 2.011 1.00 0.00 O ATOM 0 H GLY A 85 -2.949 -26.695 0.269 1.00 0.00 H new ATOM 0 HA2 GLY A 85 -5.574 -25.804 0.317 1.00 0.00 H new ATOM 0 HA3 GLY A 85 -5.003 -27.319 -0.354 1.00 0.00 H new TER 1325 GLY A 85