USER MOD reduce.3.24.130724 H: found=0, std=0, add=822, rem=0, adj=23 USER MOD reduce.3.24.130724 removed 818 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 93 GLN :FLIP amide:sc= -4.35! C(o=-14!,f=-4!) USER MOD Set 1.2: A 97 THR OG1 : rot 95:sc= 0.328! USER MOD Set 2.1: A 22 ASN :FLIP amide:sc= -1.96! C(o=-6.3!,f=-4.7!) USER MOD Set 2.2: A 25 GLN : amide:sc= -2.79! C(o=-4.7!,f=-6.3!) USER MOD Set 3.1: A 13 ASN : amide:sc= -3.69 K(o=-5.6,f=-15!) USER MOD Set 3.2: A 33 MET CE :methyl -137:sc= -1.89 (180deg=-3.29!) USER MOD Single : A 1 ALA N :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 6 ASN :FLIP amide:sc= -3.34! C(o=-5.9!,f=-3.3!) USER MOD Single : A 9 THR OG1 : rot 180:sc= 0.0445 USER MOD Single : A 11 ASN :FLIP amide:sc= -0.039 F(o=-1.8!,f=-0.039) USER MOD Single : A 15 LYS NZ :NH3+ -125:sc= 0 (180deg=-0.628) USER MOD Single : A 19 LYS NZ :NH3+ 165:sc=-0.00664 (180deg=-0.186) USER MOD Single : A 27 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 31 THR OG1 : rot 81:sc= 0.898 USER MOD Single : A 32 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 41 GLN : amide:sc= -4.89! C(o=-4.9!,f=-5.5!) USER MOD Single : A 42 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 44 THR OG1 : rot 180:sc= -3.07 USER MOD Single : A 47 LYS NZ :NH3+ 155:sc= -0.0859 (180deg=-0.694) USER MOD Single : A 51 LYS NZ :NH3+ -170:sc= -0.294 (180deg=-0.741) USER MOD Single : A 52 SER OG : rot 3:sc= 0.837 USER MOD Single : A 55 SER OG : rot -89:sc= -0.641 USER MOD Single : A 58 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 59 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 63 HIS : no HD1:sc= -0.0103 X(o=-0.01,f=0) USER MOD Single : A 71 GLN : amide:sc= -6.18! C(o=-6.2!,f=-8.3!) USER MOD Single : A 77 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 80 ASN :FLIP amide:sc= -1.47 F(o=-7.3!,f=-1.5) USER MOD Single : A 83 LYS NZ :NH3+ -144:sc= 0.0227 (180deg=0) USER MOD Single : A 85 LYS NZ :NH3+ -157:sc= -0.043 (180deg=-0.46) USER MOD Single : A 88 GLN : amide:sc= -0.552 K(o=-0.55,f=-1.9) USER MOD Single : A 95 LYS NZ :NH3+ -121:sc= -1.04! (180deg=-1.91!) USER MOD Single : A 96 THR OG1 : rot 180:sc= 0.0138 USER MOD Single : A 101 TYR OH : rot 180:sc= 0 USER MOD Single : A 102 ASN : amide:sc= 0.515 K(o=0.51,f=-0.31) USER MOD Single : A 103 GLN :FLIP amide:sc= -0.998 F(o=-4!,f=-1) USER MOD Single : A 104 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 105 TYR OH : rot 180:sc= 0 USER MOD ----------------------------------------------------------------- ATOM 1 N ALA A 1 -15.884 6.009 -7.254 1.00 0.00 N ATOM 2 CA ALA A 1 -15.323 5.557 -5.949 1.00 0.00 C ATOM 3 C ALA A 1 -14.717 6.753 -5.214 1.00 0.00 C ATOM 4 O ALA A 1 -13.678 7.262 -5.586 1.00 0.00 O ATOM 5 CB ALA A 1 -14.239 4.506 -6.197 1.00 0.00 C ATOM 0 H1 ALA A 1 -16.296 5.196 -7.755 1.00 0.00 H new ATOM 0 H2 ALA A 1 -16.621 6.723 -7.086 1.00 0.00 H new ATOM 0 H3 ALA A 1 -15.126 6.424 -7.833 1.00 0.00 H new ATOM 0 HA ALA A 1 -16.117 5.122 -5.342 1.00 0.00 H new ATOM 0 HB1 ALA A 1 -13.828 4.175 -5.243 1.00 0.00 H new ATOM 0 HB2 ALA A 1 -14.672 3.654 -6.721 1.00 0.00 H new ATOM 0 HB3 ALA A 1 -13.444 4.940 -6.804 1.00 0.00 H new ATOM 10 N ASP A 2 -15.361 7.212 -4.175 1.00 0.00 N ATOM 11 CA ASP A 2 -14.823 8.382 -3.420 1.00 0.00 C ATOM 12 C ASP A 2 -13.704 7.934 -2.482 1.00 0.00 C ATOM 13 O ASP A 2 -13.382 6.767 -2.386 1.00 0.00 O ATOM 14 CB ASP A 2 -15.939 9.029 -2.599 1.00 0.00 C ATOM 15 CG ASP A 2 -15.412 10.295 -1.921 1.00 0.00 C ATOM 16 OD1 ASP A 2 -14.413 10.819 -2.384 1.00 0.00 O ATOM 17 OD2 ASP A 2 -16.022 10.723 -0.955 1.00 0.00 O ATOM 0 H ASP A 2 -16.235 6.829 -3.816 1.00 0.00 H new ATOM 0 HA ASP A 2 -14.428 9.105 -4.133 1.00 0.00 H new ATOM 0 HB2 ASP A 2 -16.783 9.274 -3.244 1.00 0.00 H new ATOM 0 HB3 ASP A 2 -16.305 8.328 -1.849 1.00 0.00 H new ATOM 22 N LEU A 3 -13.116 8.866 -1.792 1.00 0.00 N ATOM 23 CA LEU A 3 -12.013 8.531 -0.845 1.00 0.00 C ATOM 24 C LEU A 3 -12.469 7.398 0.085 1.00 0.00 C ATOM 25 O LEU A 3 -11.790 6.402 0.245 1.00 0.00 O ATOM 26 CB LEU A 3 -11.661 9.783 -0.016 1.00 0.00 C ATOM 27 CG LEU A 3 -10.615 10.662 -0.738 1.00 0.00 C ATOM 28 CD1 LEU A 3 -9.212 10.036 -0.647 1.00 0.00 C ATOM 29 CD2 LEU A 3 -10.999 10.850 -2.215 1.00 0.00 C ATOM 0 H LEU A 3 -13.352 9.857 -1.842 1.00 0.00 H new ATOM 0 HA LEU A 3 -11.132 8.206 -1.399 1.00 0.00 H new ATOM 0 HB2 LEU A 3 -12.564 10.366 0.167 1.00 0.00 H new ATOM 0 HB3 LEU A 3 -11.274 9.480 0.957 1.00 0.00 H new ATOM 0 HG LEU A 3 -10.598 11.633 -0.244 1.00 0.00 H new ATOM 0 HD11 LEU A 3 -8.495 10.674 -1.163 1.00 0.00 H new ATOM 0 HD12 LEU A 3 -8.924 9.939 0.400 1.00 0.00 H new ATOM 0 HD13 LEU A 3 -9.222 9.051 -1.113 1.00 0.00 H new ATOM 0 HD21 LEU A 3 -10.252 11.471 -2.709 1.00 0.00 H new ATOM 0 HD22 LEU A 3 -11.044 9.878 -2.706 1.00 0.00 H new ATOM 0 HD23 LEU A 3 -11.973 11.334 -2.279 1.00 0.00 H new ATOM 41 N GLU A 4 -13.607 7.546 0.703 1.00 0.00 N ATOM 42 CA GLU A 4 -14.099 6.486 1.627 1.00 0.00 C ATOM 43 C GLU A 4 -14.278 5.171 0.867 1.00 0.00 C ATOM 44 O GLU A 4 -14.139 4.099 1.422 1.00 0.00 O ATOM 45 CB GLU A 4 -15.442 6.911 2.225 1.00 0.00 C ATOM 46 CG GLU A 4 -16.362 7.469 1.120 1.00 0.00 C ATOM 47 CD GLU A 4 -16.194 8.989 1.000 1.00 0.00 C ATOM 48 OE1 GLU A 4 -15.062 9.442 0.984 1.00 0.00 O ATOM 49 OE2 GLU A 4 -17.203 9.671 0.929 1.00 0.00 O ATOM 0 H GLU A 4 -14.219 8.357 0.608 1.00 0.00 H new ATOM 0 HA GLU A 4 -13.370 6.344 2.424 1.00 0.00 H new ATOM 0 HB2 GLU A 4 -15.919 6.059 2.710 1.00 0.00 H new ATOM 0 HB3 GLU A 4 -15.284 7.668 2.993 1.00 0.00 H new ATOM 0 HG2 GLU A 4 -16.126 6.994 0.168 1.00 0.00 H new ATOM 0 HG3 GLU A 4 -17.401 7.228 1.347 1.00 0.00 H new ATOM 56 N ASP A 5 -14.598 5.235 -0.394 1.00 0.00 N ATOM 57 CA ASP A 5 -14.791 3.976 -1.162 1.00 0.00 C ATOM 58 C ASP A 5 -13.437 3.337 -1.457 1.00 0.00 C ATOM 59 O ASP A 5 -13.304 2.130 -1.434 1.00 0.00 O ATOM 60 CB ASP A 5 -15.533 4.274 -2.466 1.00 0.00 C ATOM 61 CG ASP A 5 -15.788 2.971 -3.226 1.00 0.00 C ATOM 62 OD1 ASP A 5 -15.169 1.978 -2.884 1.00 0.00 O ATOM 63 OD2 ASP A 5 -16.597 2.989 -4.138 1.00 0.00 O ATOM 0 H ASP A 5 -14.733 6.097 -0.922 1.00 0.00 H new ATOM 0 HA ASP A 5 -15.386 3.280 -0.570 1.00 0.00 H new ATOM 0 HB2 ASP A 5 -16.479 4.772 -2.252 1.00 0.00 H new ATOM 0 HB3 ASP A 5 -14.946 4.956 -3.081 1.00 0.00 H new ATOM 68 N ASN A 6 -12.416 4.121 -1.708 1.00 0.00 N ATOM 69 CA ASN A 6 -11.081 3.513 -1.964 1.00 0.00 C ATOM 70 C ASN A 6 -10.813 2.559 -0.795 1.00 0.00 C ATOM 71 O ASN A 6 -10.354 1.447 -0.965 1.00 0.00 O ATOM 72 CB ASN A 6 -10.015 4.639 -2.063 1.00 0.00 C ATOM 73 CG ASN A 6 -8.752 4.295 -1.265 1.00 0.00 C ATOM 74 OD1 ASN A 6 -8.838 4.156 0.025 1.00 0.00 O flip ATOM 75 ND2 ASN A 6 -7.681 4.157 -1.823 1.00 0.00 N flip ATOM 0 H ASN A 6 -12.451 5.140 -1.746 1.00 0.00 H new ATOM 0 HA ASN A 6 -11.043 2.962 -2.904 1.00 0.00 H new ATOM 0 HB2 ASN A 6 -9.752 4.801 -3.108 1.00 0.00 H new ATOM 0 HB3 ASN A 6 -10.437 5.573 -1.692 1.00 0.00 H new ATOM 0 HD21 ASN A 6 -7.615 4.266 -2.835 1.00 0.00 H new ATOM 0 HD22 ASN A 6 -6.848 3.932 -1.279 1.00 0.00 H new ATOM 82 N TRP A 7 -11.146 2.994 0.391 1.00 0.00 N ATOM 83 CA TRP A 7 -10.971 2.129 1.581 1.00 0.00 C ATOM 84 C TRP A 7 -11.789 0.852 1.369 1.00 0.00 C ATOM 85 O TRP A 7 -11.362 -0.237 1.698 1.00 0.00 O ATOM 86 CB TRP A 7 -11.467 2.886 2.836 1.00 0.00 C ATOM 87 CG TRP A 7 -10.298 3.480 3.562 1.00 0.00 C ATOM 88 CD1 TRP A 7 -9.544 4.477 3.070 1.00 0.00 C ATOM 89 CD2 TRP A 7 -9.726 3.136 4.864 1.00 0.00 C ATOM 90 NE1 TRP A 7 -8.552 4.783 3.976 1.00 0.00 N ATOM 91 CE2 TRP A 7 -8.619 3.989 5.101 1.00 0.00 C ATOM 92 CE3 TRP A 7 -10.052 2.189 5.853 1.00 0.00 C ATOM 93 CZ2 TRP A 7 -7.862 3.907 6.274 1.00 0.00 C ATOM 94 CZ3 TRP A 7 -9.289 2.101 7.035 1.00 0.00 C ATOM 95 CH2 TRP A 7 -8.197 2.960 7.244 1.00 0.00 C ATOM 0 H TRP A 7 -11.534 3.918 0.582 1.00 0.00 H new ATOM 0 HA TRP A 7 -9.921 1.871 1.722 1.00 0.00 H new ATOM 0 HB2 TRP A 7 -12.165 3.672 2.547 1.00 0.00 H new ATOM 0 HB3 TRP A 7 -12.008 2.205 3.493 1.00 0.00 H new ATOM 0 HD1 TRP A 7 -9.692 4.962 2.116 1.00 0.00 H new ATOM 0 HE1 TRP A 7 -7.852 5.510 3.832 1.00 0.00 H new ATOM 0 HE3 TRP A 7 -10.892 1.526 5.705 1.00 0.00 H new ATOM 0 HZ2 TRP A 7 -7.025 4.571 6.429 1.00 0.00 H new ATOM 0 HZ3 TRP A 7 -9.546 1.368 7.785 1.00 0.00 H new ATOM 0 HH2 TRP A 7 -7.618 2.888 8.153 1.00 0.00 H new ATOM 106 N GLU A 8 -12.965 0.983 0.813 1.00 0.00 N ATOM 107 CA GLU A 8 -13.809 -0.218 0.571 1.00 0.00 C ATOM 108 C GLU A 8 -13.036 -1.168 -0.343 1.00 0.00 C ATOM 109 O GLU A 8 -12.945 -2.352 -0.091 1.00 0.00 O ATOM 110 CB GLU A 8 -15.115 0.203 -0.101 1.00 0.00 C ATOM 111 CG GLU A 8 -16.129 -0.940 -0.019 1.00 0.00 C ATOM 112 CD GLU A 8 -17.357 -0.592 -0.862 1.00 0.00 C ATOM 113 OE1 GLU A 8 -18.161 0.202 -0.403 1.00 0.00 O ATOM 114 OE2 GLU A 8 -17.473 -1.128 -1.952 1.00 0.00 O ATOM 0 H GLU A 8 -13.375 1.869 0.517 1.00 0.00 H new ATOM 0 HA GLU A 8 -14.044 -0.714 1.513 1.00 0.00 H new ATOM 0 HB2 GLU A 8 -15.515 1.093 0.385 1.00 0.00 H new ATOM 0 HB3 GLU A 8 -14.931 0.465 -1.143 1.00 0.00 H new ATOM 0 HG2 GLU A 8 -15.679 -1.866 -0.377 1.00 0.00 H new ATOM 0 HG3 GLU A 8 -16.422 -1.108 1.018 1.00 0.00 H new ATOM 121 N THR A 9 -12.452 -0.654 -1.389 1.00 0.00 N ATOM 122 CA THR A 9 -11.659 -1.529 -2.291 1.00 0.00 C ATOM 123 C THR A 9 -10.592 -2.220 -1.443 1.00 0.00 C ATOM 124 O THR A 9 -10.451 -3.428 -1.439 1.00 0.00 O ATOM 125 CB THR A 9 -10.986 -0.670 -3.377 1.00 0.00 C ATOM 126 OG1 THR A 9 -11.874 0.369 -3.766 1.00 0.00 O ATOM 127 CG2 THR A 9 -10.653 -1.537 -4.594 1.00 0.00 C ATOM 0 H THR A 9 -12.490 0.330 -1.656 1.00 0.00 H new ATOM 0 HA THR A 9 -12.298 -2.267 -2.776 1.00 0.00 H new ATOM 0 HB THR A 9 -10.065 -0.241 -2.981 1.00 0.00 H new ATOM 0 HG1 THR A 9 -11.450 0.920 -4.456 1.00 0.00 H new ATOM 0 HG21 THR A 9 -10.177 -0.923 -5.359 1.00 0.00 H new ATOM 0 HG22 THR A 9 -9.975 -2.337 -4.296 1.00 0.00 H new ATOM 0 HG23 THR A 9 -11.570 -1.969 -4.995 1.00 0.00 H new ATOM 135 N LEU A 10 -9.852 -1.437 -0.714 1.00 0.00 N ATOM 136 CA LEU A 10 -8.790 -1.989 0.161 1.00 0.00 C ATOM 137 C LEU A 10 -9.430 -2.837 1.262 1.00 0.00 C ATOM 138 O LEU A 10 -8.818 -3.720 1.817 1.00 0.00 O ATOM 139 CB LEU A 10 -8.020 -0.815 0.791 1.00 0.00 C ATOM 140 CG LEU A 10 -6.815 -0.403 -0.074 1.00 0.00 C ATOM 141 CD1 LEU A 10 -7.285 0.446 -1.259 1.00 0.00 C ATOM 142 CD2 LEU A 10 -5.850 0.421 0.777 1.00 0.00 C ATOM 0 H LEU A 10 -9.941 -0.421 -0.688 1.00 0.00 H new ATOM 0 HA LEU A 10 -8.109 -2.613 -0.418 1.00 0.00 H new ATOM 0 HB2 LEU A 10 -8.689 0.037 0.914 1.00 0.00 H new ATOM 0 HB3 LEU A 10 -7.676 -1.096 1.786 1.00 0.00 H new ATOM 0 HG LEU A 10 -6.319 -1.298 -0.448 1.00 0.00 H new ATOM 0 HD11 LEU A 10 -6.425 0.733 -1.865 1.00 0.00 H new ATOM 0 HD12 LEU A 10 -7.981 -0.132 -1.867 1.00 0.00 H new ATOM 0 HD13 LEU A 10 -7.783 1.342 -0.890 1.00 0.00 H new ATOM 0 HD21 LEU A 10 -4.993 0.717 0.172 1.00 0.00 H new ATOM 0 HD22 LEU A 10 -6.359 1.312 1.145 1.00 0.00 H new ATOM 0 HD23 LEU A 10 -5.508 -0.177 1.622 1.00 0.00 H new ATOM 154 N ASN A 11 -10.646 -2.561 1.599 1.00 0.00 N ATOM 155 CA ASN A 11 -11.300 -3.345 2.677 1.00 0.00 C ATOM 156 C ASN A 11 -11.443 -4.801 2.249 1.00 0.00 C ATOM 157 O ASN A 11 -10.857 -5.700 2.818 1.00 0.00 O ATOM 158 CB ASN A 11 -12.694 -2.792 2.933 1.00 0.00 C ATOM 159 CG ASN A 11 -13.257 -3.401 4.223 1.00 0.00 C ATOM 160 OD1 ASN A 11 -12.445 -3.963 5.083 1.00 0.00 O flip ATOM 161 ND2 ASN A 11 -14.451 -3.369 4.451 1.00 0.00 N flip ATOM 0 H ASN A 11 -11.219 -1.829 1.179 1.00 0.00 H new ATOM 0 HA ASN A 11 -10.689 -3.277 3.577 1.00 0.00 H new ATOM 0 HB2 ASN A 11 -12.656 -1.706 3.017 1.00 0.00 H new ATOM 0 HB3 ASN A 11 -13.349 -3.024 2.093 1.00 0.00 H new ATOM 0 HD21 ASN A 11 -15.086 -2.932 3.783 1.00 0.00 H new ATOM 0 HD22 ASN A 11 -14.817 -3.779 5.310 1.00 0.00 H new ATOM 168 N ASP A 12 -12.248 -5.026 1.253 1.00 0.00 N ATOM 169 CA ASP A 12 -12.481 -6.407 0.768 1.00 0.00 C ATOM 170 C ASP A 12 -11.154 -7.067 0.462 1.00 0.00 C ATOM 171 O ASP A 12 -11.054 -8.276 0.399 1.00 0.00 O ATOM 172 CB ASP A 12 -13.295 -6.361 -0.510 1.00 0.00 C ATOM 173 CG ASP A 12 -14.713 -5.875 -0.207 1.00 0.00 C ATOM 174 OD1 ASP A 12 -15.184 -6.129 0.889 1.00 0.00 O ATOM 175 OD2 ASP A 12 -15.304 -5.256 -1.077 1.00 0.00 O ATOM 0 H ASP A 12 -12.760 -4.302 0.749 1.00 0.00 H new ATOM 0 HA ASP A 12 -13.012 -6.969 1.536 1.00 0.00 H new ATOM 0 HB2 ASP A 12 -12.819 -5.696 -1.231 1.00 0.00 H new ATOM 0 HB3 ASP A 12 -13.330 -7.351 -0.965 1.00 0.00 H new ATOM 180 N ASN A 13 -10.125 -6.299 0.256 1.00 0.00 N ATOM 181 CA ASN A 13 -8.830 -6.940 -0.056 1.00 0.00 C ATOM 182 C ASN A 13 -8.397 -7.762 1.158 1.00 0.00 C ATOM 183 O ASN A 13 -8.227 -8.961 1.076 1.00 0.00 O ATOM 184 CB ASN A 13 -7.753 -5.893 -0.355 1.00 0.00 C ATOM 185 CG ASN A 13 -8.018 -5.153 -1.683 1.00 0.00 C ATOM 186 OD1 ASN A 13 -7.421 -4.128 -1.938 1.00 0.00 O ATOM 187 ND2 ASN A 13 -8.863 -5.618 -2.553 1.00 0.00 N ATOM 0 H ASN A 13 -10.125 -5.280 0.289 1.00 0.00 H new ATOM 0 HA ASN A 13 -8.950 -7.570 -0.937 1.00 0.00 H new ATOM 0 HB2 ASN A 13 -7.713 -5.171 0.461 1.00 0.00 H new ATOM 0 HB3 ASN A 13 -6.778 -6.378 -0.399 1.00 0.00 H new ATOM 0 HD21 ASN A 13 -9.015 -5.123 -3.432 1.00 0.00 H new ATOM 0 HD22 ASN A 13 -9.375 -6.478 -2.357 1.00 0.00 H new ATOM 194 N LEU A 14 -8.233 -7.127 2.284 1.00 0.00 N ATOM 195 CA LEU A 14 -7.825 -7.860 3.508 1.00 0.00 C ATOM 196 C LEU A 14 -8.858 -8.944 3.815 1.00 0.00 C ATOM 197 O LEU A 14 -8.540 -10.006 4.309 1.00 0.00 O ATOM 198 CB LEU A 14 -7.774 -6.874 4.677 1.00 0.00 C ATOM 199 CG LEU A 14 -6.489 -6.020 4.622 1.00 0.00 C ATOM 200 CD1 LEU A 14 -5.263 -6.852 5.010 1.00 0.00 C ATOM 201 CD2 LEU A 14 -6.288 -5.456 3.209 1.00 0.00 C ATOM 0 H LEU A 14 -8.366 -6.123 2.407 1.00 0.00 H new ATOM 0 HA LEU A 14 -6.847 -8.318 3.359 1.00 0.00 H new ATOM 0 HB2 LEU A 14 -8.649 -6.224 4.648 1.00 0.00 H new ATOM 0 HB3 LEU A 14 -7.813 -7.419 5.620 1.00 0.00 H new ATOM 0 HG LEU A 14 -6.600 -5.201 5.332 1.00 0.00 H new ATOM 0 HD11 LEU A 14 -4.370 -6.228 4.964 1.00 0.00 H new ATOM 0 HD12 LEU A 14 -5.387 -7.232 6.024 1.00 0.00 H new ATOM 0 HD13 LEU A 14 -5.157 -7.688 4.319 1.00 0.00 H new ATOM 0 HD21 LEU A 14 -5.379 -4.856 3.183 1.00 0.00 H new ATOM 0 HD22 LEU A 14 -6.201 -6.278 2.498 1.00 0.00 H new ATOM 0 HD23 LEU A 14 -7.142 -4.833 2.941 1.00 0.00 H new ATOM 213 N LYS A 15 -10.093 -8.666 3.534 1.00 0.00 N ATOM 214 CA LYS A 15 -11.174 -9.646 3.814 1.00 0.00 C ATOM 215 C LYS A 15 -10.877 -10.978 3.120 1.00 0.00 C ATOM 216 O LYS A 15 -11.001 -12.030 3.708 1.00 0.00 O ATOM 217 CB LYS A 15 -12.482 -9.061 3.272 1.00 0.00 C ATOM 218 CG LYS A 15 -13.691 -9.812 3.839 1.00 0.00 C ATOM 219 CD LYS A 15 -14.974 -9.402 3.069 1.00 0.00 C ATOM 220 CE LYS A 15 -15.275 -10.412 1.952 1.00 0.00 C ATOM 221 NZ LYS A 15 -16.017 -11.572 2.523 1.00 0.00 N ATOM 0 H LYS A 15 -10.406 -7.790 3.116 1.00 0.00 H new ATOM 0 HA LYS A 15 -11.247 -9.831 4.886 1.00 0.00 H new ATOM 0 HB2 LYS A 15 -12.549 -8.005 3.534 1.00 0.00 H new ATOM 0 HB3 LYS A 15 -12.489 -9.121 2.184 1.00 0.00 H new ATOM 0 HG2 LYS A 15 -13.534 -10.887 3.756 1.00 0.00 H new ATOM 0 HG3 LYS A 15 -13.805 -9.588 4.900 1.00 0.00 H new ATOM 0 HD2 LYS A 15 -15.818 -9.350 3.757 1.00 0.00 H new ATOM 0 HD3 LYS A 15 -14.848 -8.407 2.643 1.00 0.00 H new ATOM 0 HE2 LYS A 15 -15.865 -9.939 1.167 1.00 0.00 H new ATOM 0 HE3 LYS A 15 -14.347 -10.750 1.492 1.00 0.00 H new ATOM 0 HZ1 LYS A 15 -15.512 -12.453 2.296 1.00 0.00 H new ATOM 0 HZ2 LYS A 15 -16.083 -11.467 3.556 1.00 0.00 H new ATOM 0 HZ3 LYS A 15 -16.974 -11.606 2.116 1.00 0.00 H new ATOM 235 N VAL A 16 -10.504 -10.952 1.875 1.00 0.00 N ATOM 236 CA VAL A 16 -10.231 -12.220 1.166 1.00 0.00 C ATOM 237 C VAL A 16 -8.966 -12.898 1.715 1.00 0.00 C ATOM 238 O VAL A 16 -9.031 -14.018 2.157 1.00 0.00 O ATOM 239 CB VAL A 16 -10.123 -11.916 -0.340 1.00 0.00 C ATOM 240 CG1 VAL A 16 -9.267 -12.967 -1.044 1.00 0.00 C ATOM 241 CG2 VAL A 16 -11.524 -11.922 -0.959 1.00 0.00 C ATOM 0 H VAL A 16 -10.377 -10.105 1.320 1.00 0.00 H new ATOM 0 HA VAL A 16 -11.046 -12.926 1.328 1.00 0.00 H new ATOM 0 HB VAL A 16 -9.657 -10.939 -0.464 1.00 0.00 H new ATOM 0 HG11 VAL A 16 -9.204 -12.733 -2.107 1.00 0.00 H new ATOM 0 HG12 VAL A 16 -8.266 -12.969 -0.613 1.00 0.00 H new ATOM 0 HG13 VAL A 16 -9.719 -13.950 -0.915 1.00 0.00 H new ATOM 0 HG21 VAL A 16 -11.452 -11.707 -2.025 1.00 0.00 H new ATOM 0 HG22 VAL A 16 -11.981 -12.901 -0.816 1.00 0.00 H new ATOM 0 HG23 VAL A 16 -12.138 -11.162 -0.477 1.00 0.00 H new ATOM 251 N ILE A 17 -7.817 -12.262 1.690 1.00 0.00 N ATOM 252 CA ILE A 17 -6.591 -12.959 2.218 1.00 0.00 C ATOM 253 C ILE A 17 -6.934 -13.562 3.584 1.00 0.00 C ATOM 254 O ILE A 17 -6.659 -14.713 3.855 1.00 0.00 O ATOM 255 CB ILE A 17 -5.383 -11.978 2.349 1.00 0.00 C ATOM 256 CG1 ILE A 17 -5.742 -10.632 1.714 1.00 0.00 C ATOM 257 CG2 ILE A 17 -4.152 -12.553 1.633 1.00 0.00 C ATOM 258 CD1 ILE A 17 -4.591 -9.642 1.908 1.00 0.00 C ATOM 0 H ILE A 17 -7.672 -11.316 1.338 1.00 0.00 H new ATOM 0 HA ILE A 17 -6.295 -13.740 1.518 1.00 0.00 H new ATOM 0 HB ILE A 17 -5.157 -11.843 3.407 1.00 0.00 H new ATOM 0 HG12 ILE A 17 -5.945 -10.764 0.651 1.00 0.00 H new ATOM 0 HG13 ILE A 17 -6.652 -10.238 2.166 1.00 0.00 H new ATOM 0 HG21 ILE A 17 -3.317 -11.860 1.732 1.00 0.00 H new ATOM 0 HG22 ILE A 17 -3.884 -13.510 2.081 1.00 0.00 H new ATOM 0 HG23 ILE A 17 -4.380 -12.698 0.577 1.00 0.00 H new ATOM 0 HD11 ILE A 17 -4.853 -8.686 1.454 1.00 0.00 H new ATOM 0 HD12 ILE A 17 -4.409 -9.500 2.973 1.00 0.00 H new ATOM 0 HD13 ILE A 17 -3.690 -10.034 1.435 1.00 0.00 H new ATOM 270 N GLU A 18 -7.566 -12.799 4.427 1.00 0.00 N ATOM 271 CA GLU A 18 -7.961 -13.334 5.754 1.00 0.00 C ATOM 272 C GLU A 18 -8.870 -14.544 5.536 1.00 0.00 C ATOM 273 O GLU A 18 -8.916 -15.451 6.343 1.00 0.00 O ATOM 274 CB GLU A 18 -8.736 -12.259 6.532 1.00 0.00 C ATOM 275 CG GLU A 18 -7.796 -11.090 6.950 1.00 0.00 C ATOM 276 CD GLU A 18 -7.637 -11.045 8.477 1.00 0.00 C ATOM 277 OE1 GLU A 18 -6.808 -11.778 8.989 1.00 0.00 O ATOM 278 OE2 GLU A 18 -8.350 -10.278 9.104 1.00 0.00 O ATOM 0 H GLU A 18 -7.826 -11.828 4.254 1.00 0.00 H new ATOM 0 HA GLU A 18 -7.074 -13.620 6.319 1.00 0.00 H new ATOM 0 HB2 GLU A 18 -9.550 -11.875 5.917 1.00 0.00 H new ATOM 0 HB3 GLU A 18 -9.189 -12.702 7.419 1.00 0.00 H new ATOM 0 HG2 GLU A 18 -6.820 -11.215 6.481 1.00 0.00 H new ATOM 0 HG3 GLU A 18 -8.202 -10.144 6.593 1.00 0.00 H new ATOM 285 N LYS A 19 -9.618 -14.548 4.452 1.00 0.00 N ATOM 286 CA LYS A 19 -10.562 -15.676 4.168 1.00 0.00 C ATOM 287 C LYS A 19 -10.310 -16.233 2.756 1.00 0.00 C ATOM 288 O LYS A 19 -11.232 -16.569 2.040 1.00 0.00 O ATOM 289 CB LYS A 19 -11.996 -15.128 4.264 1.00 0.00 C ATOM 290 CG LYS A 19 -12.274 -14.623 5.704 1.00 0.00 C ATOM 291 CD LYS A 19 -13.198 -13.392 5.689 1.00 0.00 C ATOM 292 CE LYS A 19 -14.576 -13.777 5.143 1.00 0.00 C ATOM 293 NZ LYS A 19 -15.297 -14.596 6.159 1.00 0.00 N ATOM 0 H LYS A 19 -9.612 -13.810 3.748 1.00 0.00 H new ATOM 0 HA LYS A 19 -10.413 -16.482 4.886 1.00 0.00 H new ATOM 0 HB2 LYS A 19 -12.132 -14.314 3.552 1.00 0.00 H new ATOM 0 HB3 LYS A 19 -12.711 -15.907 3.998 1.00 0.00 H new ATOM 0 HG2 LYS A 19 -12.733 -15.419 6.290 1.00 0.00 H new ATOM 0 HG3 LYS A 19 -11.333 -14.370 6.192 1.00 0.00 H new ATOM 0 HD2 LYS A 19 -13.297 -12.989 6.697 1.00 0.00 H new ATOM 0 HD3 LYS A 19 -12.760 -12.606 5.073 1.00 0.00 H new ATOM 0 HE2 LYS A 19 -15.150 -12.881 4.908 1.00 0.00 H new ATOM 0 HE3 LYS A 19 -14.468 -14.339 4.216 1.00 0.00 H new ATOM 0 HZ1 LYS A 19 -16.306 -14.646 5.912 1.00 0.00 H new ATOM 0 HZ2 LYS A 19 -14.898 -15.556 6.178 1.00 0.00 H new ATOM 0 HZ3 LYS A 19 -15.191 -14.158 7.096 1.00 0.00 H new ATOM 307 N ALA A 20 -9.069 -16.321 2.351 1.00 0.00 N ATOM 308 CA ALA A 20 -8.752 -16.843 0.985 1.00 0.00 C ATOM 309 C ALA A 20 -9.162 -18.314 0.868 1.00 0.00 C ATOM 310 O ALA A 20 -9.347 -18.825 -0.215 1.00 0.00 O ATOM 311 CB ALA A 20 -7.247 -16.706 0.722 1.00 0.00 C ATOM 0 H ALA A 20 -8.258 -16.053 2.909 1.00 0.00 H new ATOM 0 HA ALA A 20 -9.308 -16.264 0.248 1.00 0.00 H new ATOM 0 HB1 ALA A 20 -7.015 -17.086 -0.273 1.00 0.00 H new ATOM 0 HB2 ALA A 20 -6.961 -15.656 0.785 1.00 0.00 H new ATOM 0 HB3 ALA A 20 -6.694 -17.278 1.467 1.00 0.00 H new ATOM 317 N ASP A 21 -9.279 -18.998 1.971 1.00 0.00 N ATOM 318 CA ASP A 21 -9.649 -20.445 1.934 1.00 0.00 C ATOM 319 C ASP A 21 -8.485 -21.248 1.340 1.00 0.00 C ATOM 320 O ASP A 21 -8.228 -22.370 1.732 1.00 0.00 O ATOM 321 CB ASP A 21 -10.910 -20.635 1.080 1.00 0.00 C ATOM 322 CG ASP A 21 -11.850 -19.445 1.284 1.00 0.00 C ATOM 323 OD1 ASP A 21 -12.590 -19.459 2.253 1.00 0.00 O ATOM 324 OD2 ASP A 21 -11.813 -18.539 0.466 1.00 0.00 O ATOM 0 H ASP A 21 -9.134 -18.616 2.905 1.00 0.00 H new ATOM 0 HA ASP A 21 -9.852 -20.798 2.945 1.00 0.00 H new ATOM 0 HB2 ASP A 21 -10.639 -20.722 0.028 1.00 0.00 H new ATOM 0 HB3 ASP A 21 -11.413 -21.561 1.357 1.00 0.00 H new ATOM 329 N ASN A 22 -7.777 -20.677 0.405 1.00 0.00 N ATOM 330 CA ASN A 22 -6.620 -21.395 -0.213 1.00 0.00 C ATOM 331 C ASN A 22 -5.600 -20.374 -0.722 1.00 0.00 C ATOM 332 O ASN A 22 -5.947 -19.276 -1.111 1.00 0.00 O ATOM 333 CB ASN A 22 -7.106 -22.254 -1.382 1.00 0.00 C ATOM 334 CG ASN A 22 -8.380 -22.994 -0.978 1.00 0.00 C ATOM 335 OD1 ASN A 22 -9.534 -22.448 -1.231 1.00 0.00 O flip ATOM 336 ND2 ASN A 22 -8.324 -24.076 -0.428 1.00 0.00 N flip ATOM 0 H ASN A 22 -7.949 -19.740 0.039 1.00 0.00 H new ATOM 0 HA ASN A 22 -6.155 -22.037 0.535 1.00 0.00 H new ATOM 0 HB2 ASN A 22 -7.298 -21.627 -2.252 1.00 0.00 H new ATOM 0 HB3 ASN A 22 -6.334 -22.968 -1.668 1.00 0.00 H new ATOM 0 HD21 ASN A 22 -7.418 -24.502 -0.231 1.00 0.00 H new ATOM 0 HD22 ASN A 22 -9.183 -24.559 -0.163 1.00 0.00 H new ATOM 343 N ALA A 23 -4.344 -20.728 -0.727 1.00 0.00 N ATOM 344 CA ALA A 23 -3.305 -19.779 -1.214 1.00 0.00 C ATOM 345 C ALA A 23 -3.702 -19.242 -2.591 1.00 0.00 C ATOM 346 O ALA A 23 -3.161 -18.267 -3.064 1.00 0.00 O ATOM 347 CB ALA A 23 -1.963 -20.509 -1.326 1.00 0.00 C ATOM 0 H ALA A 23 -3.993 -21.633 -0.415 1.00 0.00 H new ATOM 0 HA ALA A 23 -3.217 -18.950 -0.512 1.00 0.00 H new ATOM 0 HB1 ALA A 23 -1.201 -19.816 -1.682 1.00 0.00 H new ATOM 0 HB2 ALA A 23 -1.675 -20.893 -0.347 1.00 0.00 H new ATOM 0 HB3 ALA A 23 -2.057 -21.338 -2.028 1.00 0.00 H new ATOM 353 N ALA A 24 -4.632 -19.875 -3.247 1.00 0.00 N ATOM 354 CA ALA A 24 -5.044 -19.396 -4.596 1.00 0.00 C ATOM 355 C ALA A 24 -5.749 -18.039 -4.491 1.00 0.00 C ATOM 356 O ALA A 24 -5.370 -17.087 -5.146 1.00 0.00 O ATOM 357 CB ALA A 24 -5.989 -20.414 -5.235 1.00 0.00 C ATOM 0 H ALA A 24 -5.124 -20.702 -2.909 1.00 0.00 H new ATOM 0 HA ALA A 24 -4.153 -19.283 -5.214 1.00 0.00 H new ATOM 0 HB1 ALA A 24 -6.290 -20.062 -6.222 1.00 0.00 H new ATOM 0 HB2 ALA A 24 -5.480 -21.373 -5.331 1.00 0.00 H new ATOM 0 HB3 ALA A 24 -6.873 -20.534 -4.608 1.00 0.00 H new ATOM 363 N GLN A 25 -6.782 -17.936 -3.692 1.00 0.00 N ATOM 364 CA GLN A 25 -7.500 -16.631 -3.587 1.00 0.00 C ATOM 365 C GLN A 25 -6.580 -15.572 -2.977 1.00 0.00 C ATOM 366 O GLN A 25 -6.836 -14.389 -3.078 1.00 0.00 O ATOM 367 CB GLN A 25 -8.750 -16.797 -2.713 1.00 0.00 C ATOM 368 CG GLN A 25 -9.870 -17.544 -3.497 1.00 0.00 C ATOM 369 CD GLN A 25 -10.370 -18.752 -2.695 1.00 0.00 C ATOM 370 OE1 GLN A 25 -11.319 -18.650 -1.945 1.00 0.00 O ATOM 371 NE2 GLN A 25 -9.762 -19.900 -2.827 1.00 0.00 N ATOM 0 H GLN A 25 -7.155 -18.690 -3.115 1.00 0.00 H new ATOM 0 HA GLN A 25 -7.797 -16.309 -4.585 1.00 0.00 H new ATOM 0 HB2 GLN A 25 -8.498 -17.353 -1.810 1.00 0.00 H new ATOM 0 HB3 GLN A 25 -9.111 -15.819 -2.395 1.00 0.00 H new ATOM 0 HG2 GLN A 25 -10.698 -16.864 -3.697 1.00 0.00 H new ATOM 0 HG3 GLN A 25 -9.488 -17.874 -4.463 1.00 0.00 H new ATOM 0 HE21 GLN A 25 -8.965 -19.985 -3.457 1.00 0.00 H new ATOM 0 HE22 GLN A 25 -10.084 -20.711 -2.300 1.00 0.00 H new ATOM 380 N VAL A 26 -5.499 -15.973 -2.368 1.00 0.00 N ATOM 381 CA VAL A 26 -4.571 -14.974 -1.790 1.00 0.00 C ATOM 382 C VAL A 26 -3.896 -14.246 -2.957 1.00 0.00 C ATOM 383 O VAL A 26 -3.857 -13.035 -3.016 1.00 0.00 O ATOM 384 CB VAL A 26 -3.520 -15.707 -0.932 1.00 0.00 C ATOM 385 CG1 VAL A 26 -2.295 -14.819 -0.717 1.00 0.00 C ATOM 386 CG2 VAL A 26 -4.116 -16.101 0.432 1.00 0.00 C ATOM 0 H VAL A 26 -5.222 -16.947 -2.248 1.00 0.00 H new ATOM 0 HA VAL A 26 -5.097 -14.258 -1.158 1.00 0.00 H new ATOM 0 HB VAL A 26 -3.219 -16.610 -1.462 1.00 0.00 H new ATOM 0 HG11 VAL A 26 -1.562 -15.351 -0.110 1.00 0.00 H new ATOM 0 HG12 VAL A 26 -1.853 -14.568 -1.682 1.00 0.00 H new ATOM 0 HG13 VAL A 26 -2.594 -13.904 -0.206 1.00 0.00 H new ATOM 0 HG21 VAL A 26 -3.360 -16.617 1.024 1.00 0.00 H new ATOM 0 HG22 VAL A 26 -4.440 -15.204 0.960 1.00 0.00 H new ATOM 0 HG23 VAL A 26 -4.970 -16.761 0.279 1.00 0.00 H new ATOM 396 N LYS A 27 -3.374 -14.994 -3.889 1.00 0.00 N ATOM 397 CA LYS A 27 -2.706 -14.378 -5.069 1.00 0.00 C ATOM 398 C LYS A 27 -3.666 -13.403 -5.747 1.00 0.00 C ATOM 399 O LYS A 27 -3.282 -12.354 -6.226 1.00 0.00 O ATOM 400 CB LYS A 27 -2.330 -15.477 -6.068 1.00 0.00 C ATOM 401 CG LYS A 27 -1.490 -16.543 -5.364 1.00 0.00 C ATOM 402 CD LYS A 27 -1.348 -17.779 -6.263 1.00 0.00 C ATOM 403 CE LYS A 27 -0.832 -17.377 -7.652 1.00 0.00 C ATOM 404 NZ LYS A 27 -0.144 -18.543 -8.276 1.00 0.00 N ATOM 0 H LYS A 27 -3.382 -16.014 -3.883 1.00 0.00 H new ATOM 0 HA LYS A 27 -1.811 -13.848 -4.742 1.00 0.00 H new ATOM 0 HB2 LYS A 27 -3.231 -15.927 -6.486 1.00 0.00 H new ATOM 0 HB3 LYS A 27 -1.771 -15.050 -6.901 1.00 0.00 H new ATOM 0 HG2 LYS A 27 -0.505 -16.142 -5.125 1.00 0.00 H new ATOM 0 HG3 LYS A 27 -1.958 -16.822 -4.420 1.00 0.00 H new ATOM 0 HD2 LYS A 27 -0.662 -18.492 -5.806 1.00 0.00 H new ATOM 0 HD3 LYS A 27 -2.311 -18.280 -6.357 1.00 0.00 H new ATOM 0 HE2 LYS A 27 -1.661 -17.050 -8.280 1.00 0.00 H new ATOM 0 HE3 LYS A 27 -0.144 -16.536 -7.568 1.00 0.00 H new ATOM 0 HZ1 LYS A 27 0.207 -18.276 -9.218 1.00 0.00 H new ATOM 0 HZ2 LYS A 27 0.655 -18.835 -7.678 1.00 0.00 H new ATOM 0 HZ3 LYS A 27 -0.814 -19.333 -8.368 1.00 0.00 H new ATOM 418 N ASP A 28 -4.911 -13.763 -5.799 1.00 0.00 N ATOM 419 CA ASP A 28 -5.932 -12.898 -6.455 1.00 0.00 C ATOM 420 C ASP A 28 -6.064 -11.575 -5.702 1.00 0.00 C ATOM 421 O ASP A 28 -5.786 -10.528 -6.232 1.00 0.00 O ATOM 422 CB ASP A 28 -7.281 -13.650 -6.460 1.00 0.00 C ATOM 423 CG ASP A 28 -8.005 -13.452 -7.799 1.00 0.00 C ATOM 424 OD1 ASP A 28 -7.777 -14.245 -8.698 1.00 0.00 O ATOM 425 OD2 ASP A 28 -8.774 -12.509 -7.901 1.00 0.00 O ATOM 0 H ASP A 28 -5.275 -14.633 -5.410 1.00 0.00 H new ATOM 0 HA ASP A 28 -5.630 -12.676 -7.478 1.00 0.00 H new ATOM 0 HB2 ASP A 28 -7.112 -14.713 -6.286 1.00 0.00 H new ATOM 0 HB3 ASP A 28 -7.908 -13.289 -5.645 1.00 0.00 H new ATOM 430 N ALA A 29 -6.507 -11.621 -4.481 1.00 0.00 N ATOM 431 CA ALA A 29 -6.699 -10.358 -3.707 1.00 0.00 C ATOM 432 C ALA A 29 -5.449 -9.478 -3.779 1.00 0.00 C ATOM 433 O ALA A 29 -5.535 -8.297 -4.050 1.00 0.00 O ATOM 434 CB ALA A 29 -7.003 -10.704 -2.245 1.00 0.00 C ATOM 0 H ALA A 29 -6.746 -12.477 -3.981 1.00 0.00 H new ATOM 0 HA ALA A 29 -7.532 -9.805 -4.140 1.00 0.00 H new ATOM 0 HB1 ALA A 29 -7.144 -9.785 -1.675 1.00 0.00 H new ATOM 0 HB2 ALA A 29 -7.911 -11.305 -2.195 1.00 0.00 H new ATOM 0 HB3 ALA A 29 -6.171 -11.268 -1.824 1.00 0.00 H new ATOM 440 N LEU A 30 -4.295 -10.021 -3.530 1.00 0.00 N ATOM 441 CA LEU A 30 -3.071 -9.178 -3.580 1.00 0.00 C ATOM 442 C LEU A 30 -2.946 -8.541 -4.967 1.00 0.00 C ATOM 443 O LEU A 30 -2.558 -7.403 -5.105 1.00 0.00 O ATOM 444 CB LEU A 30 -1.844 -10.041 -3.278 1.00 0.00 C ATOM 445 CG LEU A 30 -1.795 -10.357 -1.772 1.00 0.00 C ATOM 446 CD1 LEU A 30 -0.823 -11.515 -1.528 1.00 0.00 C ATOM 447 CD2 LEU A 30 -1.333 -9.120 -0.971 1.00 0.00 C ATOM 0 H LEU A 30 -4.145 -11.002 -3.296 1.00 0.00 H new ATOM 0 HA LEU A 30 -3.138 -8.387 -2.833 1.00 0.00 H new ATOM 0 HB2 LEU A 30 -1.887 -10.966 -3.853 1.00 0.00 H new ATOM 0 HB3 LEU A 30 -0.936 -9.519 -3.580 1.00 0.00 H new ATOM 0 HG LEU A 30 -2.795 -10.634 -1.439 1.00 0.00 H new ATOM 0 HD11 LEU A 30 -0.786 -11.741 -0.462 1.00 0.00 H new ATOM 0 HD12 LEU A 30 -1.162 -12.395 -2.074 1.00 0.00 H new ATOM 0 HD13 LEU A 30 0.172 -11.234 -1.874 1.00 0.00 H new ATOM 0 HD21 LEU A 30 -1.305 -9.364 0.091 1.00 0.00 H new ATOM 0 HD22 LEU A 30 -0.338 -8.823 -1.302 1.00 0.00 H new ATOM 0 HD23 LEU A 30 -2.030 -8.298 -1.136 1.00 0.00 H new ATOM 459 N THR A 31 -3.285 -9.247 -6.002 1.00 0.00 N ATOM 460 CA THR A 31 -3.188 -8.642 -7.349 1.00 0.00 C ATOM 461 C THR A 31 -4.138 -7.434 -7.426 1.00 0.00 C ATOM 462 O THR A 31 -3.850 -6.442 -8.073 1.00 0.00 O ATOM 463 CB THR A 31 -3.567 -9.694 -8.390 1.00 0.00 C ATOM 464 OG1 THR A 31 -2.569 -10.705 -8.420 1.00 0.00 O ATOM 465 CG2 THR A 31 -3.673 -9.041 -9.761 1.00 0.00 C ATOM 0 H THR A 31 -3.622 -10.209 -5.974 1.00 0.00 H new ATOM 0 HA THR A 31 -2.171 -8.301 -7.544 1.00 0.00 H new ATOM 0 HB THR A 31 -4.528 -10.137 -8.128 1.00 0.00 H new ATOM 0 HG1 THR A 31 -2.723 -11.339 -7.689 1.00 0.00 H new ATOM 0 HG21 THR A 31 -3.943 -9.793 -10.502 1.00 0.00 H new ATOM 0 HG22 THR A 31 -4.438 -8.265 -9.736 1.00 0.00 H new ATOM 0 HG23 THR A 31 -2.714 -8.597 -10.028 1.00 0.00 H new ATOM 473 N LYS A 32 -5.256 -7.492 -6.745 1.00 0.00 N ATOM 474 CA LYS A 32 -6.192 -6.329 -6.769 1.00 0.00 C ATOM 475 C LYS A 32 -5.571 -5.225 -5.923 1.00 0.00 C ATOM 476 O LYS A 32 -5.653 -4.055 -6.241 1.00 0.00 O ATOM 477 CB LYS A 32 -7.585 -6.702 -6.207 1.00 0.00 C ATOM 478 CG LYS A 32 -7.967 -8.143 -6.588 1.00 0.00 C ATOM 479 CD LYS A 32 -8.237 -8.274 -8.115 1.00 0.00 C ATOM 480 CE LYS A 32 -7.568 -9.540 -8.680 1.00 0.00 C ATOM 481 NZ LYS A 32 -8.273 -9.960 -9.924 1.00 0.00 N ATOM 0 H LYS A 32 -5.558 -8.286 -6.180 1.00 0.00 H new ATOM 0 HA LYS A 32 -6.340 -6.004 -7.799 1.00 0.00 H new ATOM 0 HB2 LYS A 32 -7.583 -6.598 -5.122 1.00 0.00 H new ATOM 0 HB3 LYS A 32 -8.334 -6.010 -6.592 1.00 0.00 H new ATOM 0 HG2 LYS A 32 -7.165 -8.822 -6.299 1.00 0.00 H new ATOM 0 HG3 LYS A 32 -8.855 -8.444 -6.033 1.00 0.00 H new ATOM 0 HD2 LYS A 32 -9.311 -8.312 -8.297 1.00 0.00 H new ATOM 0 HD3 LYS A 32 -7.857 -7.394 -8.633 1.00 0.00 H new ATOM 0 HE2 LYS A 32 -6.517 -9.345 -8.893 1.00 0.00 H new ATOM 0 HE3 LYS A 32 -7.600 -10.342 -7.942 1.00 0.00 H new ATOM 0 HZ1 LYS A 32 -7.822 -10.815 -10.307 1.00 0.00 H new ATOM 0 HZ2 LYS A 32 -9.270 -10.162 -9.707 1.00 0.00 H new ATOM 0 HZ3 LYS A 32 -8.220 -9.196 -10.628 1.00 0.00 H new ATOM 495 N MET A 33 -4.934 -5.599 -4.848 1.00 0.00 N ATOM 496 CA MET A 33 -4.291 -4.587 -3.984 1.00 0.00 C ATOM 497 C MET A 33 -3.300 -3.797 -4.827 1.00 0.00 C ATOM 498 O MET A 33 -3.231 -2.597 -4.741 1.00 0.00 O ATOM 499 CB MET A 33 -3.560 -5.299 -2.845 1.00 0.00 C ATOM 500 CG MET A 33 -4.549 -5.774 -1.753 1.00 0.00 C ATOM 501 SD MET A 33 -4.092 -5.065 -0.144 1.00 0.00 S ATOM 502 CE MET A 33 -4.935 -3.472 -0.326 1.00 0.00 C ATOM 0 H MET A 33 -4.834 -6.565 -4.535 1.00 0.00 H new ATOM 0 HA MET A 33 -5.034 -3.911 -3.562 1.00 0.00 H new ATOM 0 HB2 MET A 33 -3.012 -6.155 -3.240 1.00 0.00 H new ATOM 0 HB3 MET A 33 -2.825 -4.626 -2.405 1.00 0.00 H new ATOM 0 HG2 MET A 33 -5.564 -5.475 -2.016 1.00 0.00 H new ATOM 0 HG3 MET A 33 -4.543 -6.862 -1.694 1.00 0.00 H new ATOM 0 HE1 MET A 33 -4.286 -2.674 0.035 1.00 0.00 H new ATOM 0 HE2 MET A 33 -5.169 -3.302 -1.377 1.00 0.00 H new ATOM 0 HE3 MET A 33 -5.857 -3.480 0.255 1.00 0.00 H new ATOM 512 N ARG A 34 -2.549 -4.451 -5.670 1.00 0.00 N ATOM 513 CA ARG A 34 -1.600 -3.699 -6.542 1.00 0.00 C ATOM 514 C ARG A 34 -2.381 -2.559 -7.202 1.00 0.00 C ATOM 515 O ARG A 34 -1.992 -1.410 -7.175 1.00 0.00 O ATOM 516 CB ARG A 34 -1.073 -4.655 -7.628 1.00 0.00 C ATOM 517 CG ARG A 34 0.345 -5.149 -7.292 1.00 0.00 C ATOM 518 CD ARG A 34 0.317 -6.026 -6.034 1.00 0.00 C ATOM 519 NE ARG A 34 0.277 -5.145 -4.828 1.00 0.00 N ATOM 520 CZ ARG A 34 -0.345 -5.525 -3.754 1.00 0.00 C ATOM 521 NH1 ARG A 34 -0.783 -6.749 -3.647 1.00 0.00 N ATOM 522 NH2 ARG A 34 -0.490 -4.689 -2.765 1.00 0.00 N ATOM 0 H ARG A 34 -2.550 -5.464 -5.793 1.00 0.00 H new ATOM 0 HA ARG A 34 -0.763 -3.303 -5.967 1.00 0.00 H new ATOM 0 HB2 ARG A 34 -1.745 -5.508 -7.723 1.00 0.00 H new ATOM 0 HB3 ARG A 34 -1.065 -4.146 -8.592 1.00 0.00 H new ATOM 0 HG2 ARG A 34 0.748 -5.716 -8.131 1.00 0.00 H new ATOM 0 HG3 ARG A 34 1.007 -4.297 -7.136 1.00 0.00 H new ATOM 0 HD2 ARG A 34 -0.554 -6.681 -6.051 1.00 0.00 H new ATOM 0 HD3 ARG A 34 1.198 -6.668 -6.003 1.00 0.00 H new ATOM 0 HE ARG A 34 0.742 -4.238 -4.849 1.00 0.00 H new ATOM 0 HH11 ARG A 34 -0.637 -7.411 -4.409 1.00 0.00 H new ATOM 0 HH12 ARG A 34 -1.271 -7.044 -2.801 1.00 0.00 H new ATOM 0 HH21 ARG A 34 -0.116 -3.743 -2.838 1.00 0.00 H new ATOM 0 HH22 ARG A 34 -0.978 -4.981 -1.918 1.00 0.00 H new ATOM 536 N ALA A 35 -3.493 -2.896 -7.796 1.00 0.00 N ATOM 537 CA ALA A 35 -4.334 -1.868 -8.468 1.00 0.00 C ATOM 538 C ALA A 35 -4.974 -0.948 -7.421 1.00 0.00 C ATOM 539 O ALA A 35 -4.839 0.259 -7.476 1.00 0.00 O ATOM 540 CB ALA A 35 -5.416 -2.575 -9.281 1.00 0.00 C ATOM 0 H ALA A 35 -3.857 -3.848 -7.844 1.00 0.00 H new ATOM 0 HA ALA A 35 -3.717 -1.259 -9.129 1.00 0.00 H new ATOM 0 HB1 ALA A 35 -6.040 -1.833 -9.779 1.00 0.00 H new ATOM 0 HB2 ALA A 35 -4.949 -3.217 -10.028 1.00 0.00 H new ATOM 0 HB3 ALA A 35 -6.033 -3.181 -8.617 1.00 0.00 H new ATOM 546 N ALA A 36 -5.670 -1.507 -6.466 1.00 0.00 N ATOM 547 CA ALA A 36 -6.319 -0.667 -5.416 1.00 0.00 C ATOM 548 C ALA A 36 -5.239 0.089 -4.634 1.00 0.00 C ATOM 549 O ALA A 36 -5.484 1.136 -4.069 1.00 0.00 O ATOM 550 CB ALA A 36 -7.106 -1.572 -4.459 1.00 0.00 C ATOM 0 H ALA A 36 -5.817 -2.511 -6.368 1.00 0.00 H new ATOM 0 HA ALA A 36 -6.998 0.047 -5.883 1.00 0.00 H new ATOM 0 HB1 ALA A 36 -7.582 -0.963 -3.691 1.00 0.00 H new ATOM 0 HB2 ALA A 36 -7.870 -2.114 -5.016 1.00 0.00 H new ATOM 0 HB3 ALA A 36 -6.426 -2.283 -3.989 1.00 0.00 H new ATOM 556 N ALA A 37 -4.048 -0.444 -4.588 1.00 0.00 N ATOM 557 CA ALA A 37 -2.953 0.231 -3.833 1.00 0.00 C ATOM 558 C ALA A 37 -2.601 1.577 -4.469 1.00 0.00 C ATOM 559 O ALA A 37 -2.793 2.626 -3.880 1.00 0.00 O ATOM 560 CB ALA A 37 -1.708 -0.652 -3.827 1.00 0.00 C ATOM 0 H ALA A 37 -3.785 -1.319 -5.041 1.00 0.00 H new ATOM 0 HA ALA A 37 -3.299 0.399 -2.813 1.00 0.00 H new ATOM 0 HB1 ALA A 37 -0.911 -0.154 -3.274 1.00 0.00 H new ATOM 0 HB2 ALA A 37 -1.940 -1.605 -3.350 1.00 0.00 H new ATOM 0 HB3 ALA A 37 -1.382 -0.829 -4.852 1.00 0.00 H new ATOM 566 N LEU A 38 -2.059 1.561 -5.656 1.00 0.00 N ATOM 567 CA LEU A 38 -1.672 2.850 -6.291 1.00 0.00 C ATOM 568 C LEU A 38 -2.910 3.726 -6.452 1.00 0.00 C ATOM 569 O LEU A 38 -2.821 4.938 -6.576 1.00 0.00 O ATOM 570 CB LEU A 38 -1.044 2.614 -7.661 1.00 0.00 C ATOM 571 CG LEU A 38 0.189 1.696 -7.531 1.00 0.00 C ATOM 572 CD1 LEU A 38 0.460 1.007 -8.869 1.00 0.00 C ATOM 573 CD2 LEU A 38 1.421 2.523 -7.139 1.00 0.00 C ATOM 0 H LEU A 38 -1.870 0.723 -6.206 1.00 0.00 H new ATOM 0 HA LEU A 38 -0.941 3.345 -5.652 1.00 0.00 H new ATOM 0 HB2 LEU A 38 -1.775 2.161 -8.331 1.00 0.00 H new ATOM 0 HB3 LEU A 38 -0.752 3.566 -8.104 1.00 0.00 H new ATOM 0 HG LEU A 38 -0.008 0.949 -6.762 1.00 0.00 H new ATOM 0 HD11 LEU A 38 1.331 0.359 -8.775 1.00 0.00 H new ATOM 0 HD12 LEU A 38 -0.407 0.410 -9.153 1.00 0.00 H new ATOM 0 HD13 LEU A 38 0.649 1.760 -9.634 1.00 0.00 H new ATOM 0 HD21 LEU A 38 2.286 1.866 -7.050 1.00 0.00 H new ATOM 0 HD22 LEU A 38 1.613 3.275 -7.905 1.00 0.00 H new ATOM 0 HD23 LEU A 38 1.239 3.016 -6.184 1.00 0.00 H new ATOM 585 N ASP A 39 -4.070 3.138 -6.421 1.00 0.00 N ATOM 586 CA ASP A 39 -5.293 3.963 -6.544 1.00 0.00 C ATOM 587 C ASP A 39 -5.294 4.889 -5.340 1.00 0.00 C ATOM 588 O ASP A 39 -5.586 6.064 -5.437 1.00 0.00 O ATOM 589 CB ASP A 39 -6.536 3.067 -6.525 1.00 0.00 C ATOM 590 CG ASP A 39 -7.750 3.871 -6.993 1.00 0.00 C ATOM 591 OD1 ASP A 39 -7.675 5.088 -6.966 1.00 0.00 O ATOM 592 OD2 ASP A 39 -8.734 3.255 -7.369 1.00 0.00 O ATOM 0 H ASP A 39 -4.221 2.135 -6.317 1.00 0.00 H new ATOM 0 HA ASP A 39 -5.308 4.523 -7.479 1.00 0.00 H new ATOM 0 HB2 ASP A 39 -6.386 2.204 -7.174 1.00 0.00 H new ATOM 0 HB3 ASP A 39 -6.706 2.684 -5.519 1.00 0.00 H new ATOM 597 N ALA A 40 -4.914 4.368 -4.207 1.00 0.00 N ATOM 598 CA ALA A 40 -4.830 5.216 -2.999 1.00 0.00 C ATOM 599 C ALA A 40 -3.805 6.320 -3.270 1.00 0.00 C ATOM 600 O ALA A 40 -3.910 7.416 -2.756 1.00 0.00 O ATOM 601 CB ALA A 40 -4.399 4.371 -1.800 1.00 0.00 C ATOM 0 H ALA A 40 -4.659 3.390 -4.071 1.00 0.00 H new ATOM 0 HA ALA A 40 -5.801 5.656 -2.771 1.00 0.00 H new ATOM 0 HB1 ALA A 40 -4.339 5.002 -0.913 1.00 0.00 H new ATOM 0 HB2 ALA A 40 -5.128 3.578 -1.633 1.00 0.00 H new ATOM 0 HB3 ALA A 40 -3.422 3.930 -1.998 1.00 0.00 H new ATOM 607 N GLN A 41 -2.820 6.046 -4.104 1.00 0.00 N ATOM 608 CA GLN A 41 -1.803 7.098 -4.433 1.00 0.00 C ATOM 609 C GLN A 41 -2.562 8.376 -4.783 1.00 0.00 C ATOM 610 O GLN A 41 -2.223 9.462 -4.358 1.00 0.00 O ATOM 611 CB GLN A 41 -0.952 6.668 -5.655 1.00 0.00 C ATOM 612 CG GLN A 41 0.403 7.405 -5.661 1.00 0.00 C ATOM 613 CD GLN A 41 0.198 8.893 -5.362 1.00 0.00 C ATOM 614 OE1 GLN A 41 0.343 9.324 -4.235 1.00 0.00 O ATOM 615 NE2 GLN A 41 -0.136 9.701 -6.331 1.00 0.00 N ATOM 0 H GLN A 41 -2.680 5.147 -4.565 1.00 0.00 H new ATOM 0 HA GLN A 41 -1.137 7.249 -3.584 1.00 0.00 H new ATOM 0 HB2 GLN A 41 -0.786 5.591 -5.628 1.00 0.00 H new ATOM 0 HB3 GLN A 41 -1.493 6.884 -6.576 1.00 0.00 H new ATOM 0 HG2 GLN A 41 1.067 6.965 -4.917 1.00 0.00 H new ATOM 0 HG3 GLN A 41 0.886 7.285 -6.631 1.00 0.00 H new ATOM 0 HE21 GLN A 41 -0.258 9.340 -7.277 1.00 0.00 H new ATOM 0 HE22 GLN A 41 -0.275 10.694 -6.142 1.00 0.00 H new ATOM 624 N LYS A 42 -3.594 8.232 -5.570 1.00 0.00 N ATOM 625 CA LYS A 42 -4.413 9.414 -5.986 1.00 0.00 C ATOM 626 C LYS A 42 -5.701 9.476 -5.144 1.00 0.00 C ATOM 627 O LYS A 42 -6.638 10.174 -5.476 1.00 0.00 O ATOM 628 CB LYS A 42 -4.766 9.279 -7.486 1.00 0.00 C ATOM 629 CG LYS A 42 -3.701 8.427 -8.213 1.00 0.00 C ATOM 630 CD LYS A 42 -3.635 8.807 -9.706 1.00 0.00 C ATOM 631 CE LYS A 42 -2.685 9.993 -9.903 1.00 0.00 C ATOM 632 NZ LYS A 42 -2.565 10.297 -11.356 1.00 0.00 N ATOM 0 H LYS A 42 -3.910 7.339 -5.948 1.00 0.00 H new ATOM 0 HA LYS A 42 -3.846 10.331 -5.827 1.00 0.00 H new ATOM 0 HB2 LYS A 42 -5.747 8.818 -7.596 1.00 0.00 H new ATOM 0 HB3 LYS A 42 -4.825 10.267 -7.943 1.00 0.00 H new ATOM 0 HG2 LYS A 42 -2.726 8.579 -7.749 1.00 0.00 H new ATOM 0 HG3 LYS A 42 -3.941 7.369 -8.111 1.00 0.00 H new ATOM 0 HD2 LYS A 42 -3.292 7.954 -10.292 1.00 0.00 H new ATOM 0 HD3 LYS A 42 -4.630 9.063 -10.069 1.00 0.00 H new ATOM 0 HE2 LYS A 42 -3.060 10.866 -9.368 1.00 0.00 H new ATOM 0 HE3 LYS A 42 -1.705 9.760 -9.487 1.00 0.00 H new ATOM 0 HZ1 LYS A 42 -1.920 11.102 -11.490 1.00 0.00 H new ATOM 0 HZ2 LYS A 42 -2.189 9.465 -11.855 1.00 0.00 H new ATOM 0 HZ3 LYS A 42 -3.502 10.536 -11.739 1.00 0.00 H new ATOM 646 N ALA A 43 -5.750 8.751 -4.057 1.00 0.00 N ATOM 647 CA ALA A 43 -6.963 8.760 -3.190 1.00 0.00 C ATOM 648 C ALA A 43 -6.594 8.122 -1.856 1.00 0.00 C ATOM 649 O ALA A 43 -7.099 7.081 -1.484 1.00 0.00 O ATOM 650 CB ALA A 43 -8.071 7.952 -3.855 1.00 0.00 C ATOM 0 H ALA A 43 -4.994 8.148 -3.731 1.00 0.00 H new ATOM 0 HA ALA A 43 -7.314 9.781 -3.038 1.00 0.00 H new ATOM 0 HB1 ALA A 43 -8.957 7.959 -3.221 1.00 0.00 H new ATOM 0 HB2 ALA A 43 -8.313 8.393 -4.822 1.00 0.00 H new ATOM 0 HB3 ALA A 43 -7.736 6.925 -3.999 1.00 0.00 H new ATOM 656 N THR A 44 -5.692 8.734 -1.151 1.00 0.00 N ATOM 657 CA THR A 44 -5.225 8.187 0.155 1.00 0.00 C ATOM 658 C THR A 44 -5.823 9.036 1.288 1.00 0.00 C ATOM 659 O THR A 44 -6.158 10.184 1.079 1.00 0.00 O ATOM 660 CB THR A 44 -3.685 8.265 0.144 1.00 0.00 C ATOM 661 OG1 THR A 44 -3.176 8.222 1.464 1.00 0.00 O ATOM 662 CG2 THR A 44 -3.222 9.565 -0.545 1.00 0.00 C ATOM 0 H THR A 44 -5.247 9.609 -1.427 1.00 0.00 H new ATOM 0 HA THR A 44 -5.540 7.155 0.310 1.00 0.00 H new ATOM 0 HB THR A 44 -3.304 7.408 -0.411 1.00 0.00 H new ATOM 0 HG1 THR A 44 -2.198 8.271 1.439 1.00 0.00 H new ATOM 0 HG21 THR A 44 -2.133 9.608 -0.546 1.00 0.00 H new ATOM 0 HG22 THR A 44 -3.587 9.582 -1.572 1.00 0.00 H new ATOM 0 HG23 THR A 44 -3.618 10.424 -0.004 1.00 0.00 H new ATOM 670 N PRO A 45 -5.981 8.486 2.474 1.00 0.00 N ATOM 671 CA PRO A 45 -6.569 9.219 3.627 1.00 0.00 C ATOM 672 C PRO A 45 -6.278 10.731 3.635 1.00 0.00 C ATOM 673 O PRO A 45 -7.158 11.511 3.939 1.00 0.00 O ATOM 674 CB PRO A 45 -5.971 8.490 4.833 1.00 0.00 C ATOM 675 CG PRO A 45 -5.938 7.069 4.383 1.00 0.00 C ATOM 676 CD PRO A 45 -5.624 7.105 2.871 1.00 0.00 C ATOM 0 HA PRO A 45 -7.659 9.205 3.607 1.00 0.00 H new ATOM 0 HB2 PRO A 45 -4.975 8.860 5.075 1.00 0.00 H new ATOM 0 HB3 PRO A 45 -6.584 8.617 5.726 1.00 0.00 H new ATOM 0 HG2 PRO A 45 -5.178 6.506 4.925 1.00 0.00 H new ATOM 0 HG3 PRO A 45 -6.893 6.578 4.571 1.00 0.00 H new ATOM 0 HD2 PRO A 45 -4.574 6.890 2.674 1.00 0.00 H new ATOM 0 HD3 PRO A 45 -6.208 6.366 2.322 1.00 0.00 H new ATOM 684 N PRO A 46 -5.084 11.171 3.301 1.00 0.00 N ATOM 685 CA PRO A 46 -4.745 12.606 3.274 1.00 0.00 C ATOM 686 C PRO A 46 -4.842 13.175 1.859 1.00 0.00 C ATOM 687 O PRO A 46 -4.724 14.365 1.651 1.00 0.00 O ATOM 688 CB PRO A 46 -3.293 12.615 3.797 1.00 0.00 C ATOM 689 CG PRO A 46 -2.785 11.197 3.613 1.00 0.00 C ATOM 690 CD PRO A 46 -3.899 10.412 2.914 1.00 0.00 C ATOM 0 HA PRO A 46 -5.419 13.225 3.866 1.00 0.00 H new ATOM 0 HB2 PRO A 46 -2.681 13.326 3.242 1.00 0.00 H new ATOM 0 HB3 PRO A 46 -3.256 12.912 4.845 1.00 0.00 H new ATOM 0 HG2 PRO A 46 -1.873 11.188 3.016 1.00 0.00 H new ATOM 0 HG3 PRO A 46 -2.540 10.747 4.575 1.00 0.00 H new ATOM 0 HD2 PRO A 46 -3.765 10.386 1.833 1.00 0.00 H new ATOM 0 HD3 PRO A 46 -3.946 9.378 3.254 1.00 0.00 H new ATOM 698 N LYS A 47 -5.053 12.327 0.884 1.00 0.00 N ATOM 699 CA LYS A 47 -5.157 12.807 -0.517 1.00 0.00 C ATOM 700 C LYS A 47 -3.786 13.320 -0.954 1.00 0.00 C ATOM 701 O LYS A 47 -3.610 13.737 -2.079 1.00 0.00 O ATOM 702 CB LYS A 47 -6.188 13.958 -0.644 1.00 0.00 C ATOM 703 CG LYS A 47 -7.443 13.723 0.251 1.00 0.00 C ATOM 704 CD LYS A 47 -7.814 15.010 1.013 1.00 0.00 C ATOM 705 CE LYS A 47 -8.373 16.041 0.029 1.00 0.00 C ATOM 706 NZ LYS A 47 -9.664 15.548 -0.527 1.00 0.00 N ATOM 0 H LYS A 47 -5.157 11.320 1.004 1.00 0.00 H new ATOM 0 HA LYS A 47 -5.488 11.981 -1.147 1.00 0.00 H new ATOM 0 HB2 LYS A 47 -5.715 14.900 -0.365 1.00 0.00 H new ATOM 0 HB3 LYS A 47 -6.498 14.053 -1.685 1.00 0.00 H new ATOM 0 HG2 LYS A 47 -8.283 13.405 -0.367 1.00 0.00 H new ATOM 0 HG3 LYS A 47 -7.246 12.918 0.959 1.00 0.00 H new ATOM 0 HD2 LYS A 47 -8.552 14.789 1.784 1.00 0.00 H new ATOM 0 HD3 LYS A 47 -6.936 15.412 1.518 1.00 0.00 H new ATOM 0 HE2 LYS A 47 -8.523 16.996 0.532 1.00 0.00 H new ATOM 0 HE3 LYS A 47 -7.660 16.214 -0.777 1.00 0.00 H new ATOM 0 HZ1 LYS A 47 -10.241 16.357 -0.835 1.00 0.00 H new ATOM 0 HZ2 LYS A 47 -9.477 14.926 -1.339 1.00 0.00 H new ATOM 0 HZ3 LYS A 47 -10.177 15.016 0.205 1.00 0.00 H new ATOM 720 N LEU A 48 -2.837 13.329 -0.043 1.00 0.00 N ATOM 721 CA LEU A 48 -1.475 13.865 -0.343 1.00 0.00 C ATOM 722 C LEU A 48 -1.644 15.361 -0.613 1.00 0.00 C ATOM 723 O LEU A 48 -1.071 16.192 0.063 1.00 0.00 O ATOM 724 CB LEU A 48 -0.835 13.131 -1.545 1.00 0.00 C ATOM 725 CG LEU A 48 0.632 13.574 -1.775 1.00 0.00 C ATOM 726 CD1 LEU A 48 0.701 15.046 -2.230 1.00 0.00 C ATOM 727 CD2 LEU A 48 1.466 13.389 -0.497 1.00 0.00 C ATOM 0 H LEU A 48 -2.955 12.981 0.909 1.00 0.00 H new ATOM 0 HA LEU A 48 -0.797 13.704 0.495 1.00 0.00 H new ATOM 0 HB2 LEU A 48 -0.867 12.055 -1.373 1.00 0.00 H new ATOM 0 HB3 LEU A 48 -1.419 13.328 -2.444 1.00 0.00 H new ATOM 0 HG LEU A 48 1.045 12.944 -2.562 1.00 0.00 H new ATOM 0 HD11 LEU A 48 1.742 15.331 -2.384 1.00 0.00 H new ATOM 0 HD12 LEU A 48 0.150 15.165 -3.163 1.00 0.00 H new ATOM 0 HD13 LEU A 48 0.260 15.684 -1.465 1.00 0.00 H new ATOM 0 HD21 LEU A 48 2.492 13.707 -0.683 1.00 0.00 H new ATOM 0 HD22 LEU A 48 1.040 13.991 0.306 1.00 0.00 H new ATOM 0 HD23 LEU A 48 1.458 12.338 -0.206 1.00 0.00 H new ATOM 739 N GLU A 49 -2.476 15.710 -1.559 1.00 0.00 N ATOM 740 CA GLU A 49 -2.742 17.150 -1.835 1.00 0.00 C ATOM 741 C GLU A 49 -3.948 17.579 -0.998 1.00 0.00 C ATOM 742 O GLU A 49 -5.077 17.258 -1.315 1.00 0.00 O ATOM 743 CB GLU A 49 -3.085 17.359 -3.310 1.00 0.00 C ATOM 744 CG GLU A 49 -1.875 17.034 -4.191 1.00 0.00 C ATOM 745 CD GLU A 49 -2.057 17.674 -5.569 1.00 0.00 C ATOM 746 OE1 GLU A 49 -3.186 17.988 -5.909 1.00 0.00 O ATOM 747 OE2 GLU A 49 -1.066 17.838 -6.261 1.00 0.00 O ATOM 0 H GLU A 49 -2.984 15.056 -2.154 1.00 0.00 H new ATOM 0 HA GLU A 49 -1.855 17.734 -1.588 1.00 0.00 H new ATOM 0 HB2 GLU A 49 -3.926 16.724 -3.588 1.00 0.00 H new ATOM 0 HB3 GLU A 49 -3.396 18.390 -3.475 1.00 0.00 H new ATOM 0 HG2 GLU A 49 -0.962 17.405 -3.724 1.00 0.00 H new ATOM 0 HG3 GLU A 49 -1.765 15.954 -4.292 1.00 0.00 H new ATOM 754 N ASP A 50 -3.728 18.300 0.060 1.00 0.00 N ATOM 755 CA ASP A 50 -4.873 18.751 0.912 1.00 0.00 C ATOM 756 C ASP A 50 -5.303 20.143 0.444 1.00 0.00 C ATOM 757 O ASP A 50 -6.270 20.706 0.916 1.00 0.00 O ATOM 758 CB ASP A 50 -4.421 18.814 2.372 1.00 0.00 C ATOM 759 CG ASP A 50 -4.364 17.397 2.950 1.00 0.00 C ATOM 760 OD1 ASP A 50 -3.617 16.592 2.419 1.00 0.00 O ATOM 761 OD2 ASP A 50 -5.067 17.143 3.914 1.00 0.00 O ATOM 0 H ASP A 50 -2.806 18.600 0.378 1.00 0.00 H new ATOM 0 HA ASP A 50 -5.708 18.055 0.827 1.00 0.00 H new ATOM 0 HB2 ASP A 50 -3.441 19.286 2.440 1.00 0.00 H new ATOM 0 HB3 ASP A 50 -5.111 19.427 2.951 1.00 0.00 H new ATOM 766 N LYS A 51 -4.579 20.688 -0.492 1.00 0.00 N ATOM 767 CA LYS A 51 -4.904 22.036 -1.031 1.00 0.00 C ATOM 768 C LYS A 51 -4.086 22.236 -2.307 1.00 0.00 C ATOM 769 O LYS A 51 -4.593 22.132 -3.407 1.00 0.00 O ATOM 770 CB LYS A 51 -4.543 23.112 0.004 1.00 0.00 C ATOM 771 CG LYS A 51 -3.178 22.793 0.680 1.00 0.00 C ATOM 772 CD LYS A 51 -3.380 22.424 2.157 1.00 0.00 C ATOM 773 CE LYS A 51 -2.017 22.187 2.830 1.00 0.00 C ATOM 774 NZ LYS A 51 -1.034 21.688 1.827 1.00 0.00 N ATOM 0 H LYS A 51 -3.761 20.248 -0.913 1.00 0.00 H new ATOM 0 HA LYS A 51 -5.969 22.117 -1.248 1.00 0.00 H new ATOM 0 HB2 LYS A 51 -4.495 24.087 -0.480 1.00 0.00 H new ATOM 0 HB3 LYS A 51 -5.324 23.171 0.762 1.00 0.00 H new ATOM 0 HG2 LYS A 51 -2.691 21.970 0.157 1.00 0.00 H new ATOM 0 HG3 LYS A 51 -2.517 23.656 0.602 1.00 0.00 H new ATOM 0 HD2 LYS A 51 -3.915 23.223 2.670 1.00 0.00 H new ATOM 0 HD3 LYS A 51 -3.995 21.527 2.236 1.00 0.00 H new ATOM 0 HE2 LYS A 51 -1.656 23.114 3.275 1.00 0.00 H new ATOM 0 HE3 LYS A 51 -2.122 21.464 3.639 1.00 0.00 H new ATOM 0 HZ1 LYS A 51 -0.172 21.371 2.314 1.00 0.00 H new ATOM 0 HZ2 LYS A 51 -1.448 20.892 1.302 1.00 0.00 H new ATOM 0 HZ3 LYS A 51 -0.795 22.453 1.164 1.00 0.00 H new ATOM 788 N SER A 52 -2.813 22.494 -2.167 1.00 0.00 N ATOM 789 CA SER A 52 -1.949 22.667 -3.355 1.00 0.00 C ATOM 790 C SER A 52 -0.479 22.757 -2.919 1.00 0.00 C ATOM 791 O SER A 52 0.183 23.744 -3.173 1.00 0.00 O ATOM 792 CB SER A 52 -2.348 23.952 -4.080 1.00 0.00 C ATOM 793 OG SER A 52 -3.528 23.716 -4.838 1.00 0.00 O ATOM 0 H SER A 52 -2.337 22.592 -1.270 1.00 0.00 H new ATOM 0 HA SER A 52 -2.071 21.814 -4.023 1.00 0.00 H new ATOM 0 HB2 SER A 52 -2.519 24.752 -3.359 1.00 0.00 H new ATOM 0 HB3 SER A 52 -1.541 24.280 -4.735 1.00 0.00 H new ATOM 0 HG SER A 52 -3.840 22.800 -4.681 1.00 0.00 H new ATOM 799 N PRO A 53 0.041 21.729 -2.281 1.00 0.00 N ATOM 800 CA PRO A 53 1.466 21.715 -1.833 1.00 0.00 C ATOM 801 C PRO A 53 2.420 22.059 -2.985 1.00 0.00 C ATOM 802 O PRO A 53 2.983 23.133 -3.044 1.00 0.00 O ATOM 803 CB PRO A 53 1.687 20.270 -1.345 1.00 0.00 C ATOM 804 CG PRO A 53 0.326 19.775 -0.973 1.00 0.00 C ATOM 805 CD PRO A 53 -0.656 20.479 -1.916 1.00 0.00 C ATOM 0 HA PRO A 53 1.665 22.457 -1.060 1.00 0.00 H new ATOM 0 HB2 PRO A 53 2.131 19.653 -2.126 1.00 0.00 H new ATOM 0 HB3 PRO A 53 2.365 20.241 -0.492 1.00 0.00 H new ATOM 0 HG2 PRO A 53 0.262 18.692 -1.082 1.00 0.00 H new ATOM 0 HG3 PRO A 53 0.099 20.005 0.068 1.00 0.00 H new ATOM 0 HD2 PRO A 53 -0.873 19.871 -2.794 1.00 0.00 H new ATOM 0 HD3 PRO A 53 -1.608 20.681 -1.425 1.00 0.00 H new ATOM 813 N ASP A 54 2.596 21.144 -3.900 1.00 0.00 N ATOM 814 CA ASP A 54 3.501 21.383 -5.062 1.00 0.00 C ATOM 815 C ASP A 54 2.839 20.811 -6.319 1.00 0.00 C ATOM 816 O ASP A 54 2.564 21.528 -7.259 1.00 0.00 O ATOM 817 CB ASP A 54 4.835 20.674 -4.810 1.00 0.00 C ATOM 818 CG ASP A 54 5.312 20.977 -3.389 1.00 0.00 C ATOM 819 OD1 ASP A 54 4.750 20.413 -2.464 1.00 0.00 O ATOM 820 OD2 ASP A 54 6.231 21.766 -3.248 1.00 0.00 O ATOM 0 H ASP A 54 2.145 20.229 -3.892 1.00 0.00 H new ATOM 0 HA ASP A 54 3.681 22.450 -5.193 1.00 0.00 H new ATOM 0 HB2 ASP A 54 4.719 19.599 -4.945 1.00 0.00 H new ATOM 0 HB3 ASP A 54 5.579 21.007 -5.534 1.00 0.00 H new ATOM 825 N SER A 55 2.591 19.518 -6.309 1.00 0.00 N ATOM 826 CA SER A 55 1.937 18.779 -7.450 1.00 0.00 C ATOM 827 C SER A 55 2.908 17.761 -8.089 1.00 0.00 C ATOM 828 O SER A 55 2.509 16.638 -8.329 1.00 0.00 O ATOM 829 CB SER A 55 1.309 19.706 -8.513 1.00 0.00 C ATOM 830 OG SER A 55 2.306 20.349 -9.288 1.00 0.00 O ATOM 0 H SER A 55 2.826 18.916 -5.520 1.00 0.00 H new ATOM 0 HA SER A 55 1.104 18.230 -7.010 1.00 0.00 H new ATOM 0 HB2 SER A 55 0.656 19.126 -9.165 1.00 0.00 H new ATOM 0 HB3 SER A 55 0.686 20.455 -8.024 1.00 0.00 H new ATOM 0 HG SER A 55 2.568 21.187 -8.853 1.00 0.00 H new ATOM 836 N PRO A 56 4.172 18.075 -8.336 1.00 0.00 N ATOM 837 CA PRO A 56 5.117 17.071 -8.903 1.00 0.00 C ATOM 838 C PRO A 56 5.575 16.108 -7.801 1.00 0.00 C ATOM 839 O PRO A 56 5.657 14.910 -7.988 1.00 0.00 O ATOM 840 CB PRO A 56 6.306 17.914 -9.432 1.00 0.00 C ATOM 841 CG PRO A 56 5.906 19.348 -9.245 1.00 0.00 C ATOM 842 CD PRO A 56 4.863 19.354 -8.133 1.00 0.00 C ATOM 0 HA PRO A 56 4.670 16.461 -9.688 1.00 0.00 H new ATOM 0 HB2 PRO A 56 7.220 17.688 -8.883 1.00 0.00 H new ATOM 0 HB3 PRO A 56 6.503 17.697 -10.482 1.00 0.00 H new ATOM 0 HG2 PRO A 56 6.766 19.961 -8.976 1.00 0.00 H new ATOM 0 HG3 PRO A 56 5.496 19.762 -10.166 1.00 0.00 H new ATOM 0 HD2 PRO A 56 5.323 19.414 -7.146 1.00 0.00 H new ATOM 0 HD3 PRO A 56 4.182 20.201 -8.220 1.00 0.00 H new ATOM 850 N GLU A 57 5.864 16.648 -6.648 1.00 0.00 N ATOM 851 CA GLU A 57 6.311 15.813 -5.502 1.00 0.00 C ATOM 852 C GLU A 57 5.230 14.778 -5.174 1.00 0.00 C ATOM 853 O GLU A 57 5.385 13.959 -4.289 1.00 0.00 O ATOM 854 CB GLU A 57 6.559 16.724 -4.284 1.00 0.00 C ATOM 855 CG GLU A 57 7.608 16.092 -3.360 1.00 0.00 C ATOM 856 CD GLU A 57 9.003 16.290 -3.958 1.00 0.00 C ATOM 857 OE1 GLU A 57 9.494 17.406 -3.908 1.00 0.00 O ATOM 858 OE2 GLU A 57 9.557 15.323 -4.455 1.00 0.00 O ATOM 0 H GLU A 57 5.808 17.647 -6.451 1.00 0.00 H new ATOM 0 HA GLU A 57 7.234 15.292 -5.757 1.00 0.00 H new ATOM 0 HB2 GLU A 57 6.899 17.705 -4.616 1.00 0.00 H new ATOM 0 HB3 GLU A 57 5.628 16.878 -3.739 1.00 0.00 H new ATOM 0 HG2 GLU A 57 7.557 16.547 -2.371 1.00 0.00 H new ATOM 0 HG3 GLU A 57 7.403 15.029 -3.233 1.00 0.00 H new ATOM 865 N MET A 58 4.126 14.817 -5.862 1.00 0.00 N ATOM 866 CA MET A 58 3.039 13.844 -5.569 1.00 0.00 C ATOM 867 C MET A 58 3.491 12.432 -5.959 1.00 0.00 C ATOM 868 O MET A 58 3.446 11.517 -5.159 1.00 0.00 O ATOM 869 CB MET A 58 1.778 14.234 -6.351 1.00 0.00 C ATOM 870 CG MET A 58 0.708 13.132 -6.225 1.00 0.00 C ATOM 871 SD MET A 58 0.865 11.969 -7.607 1.00 0.00 S ATOM 872 CE MET A 58 -0.370 12.731 -8.690 1.00 0.00 C ATOM 0 H MET A 58 3.929 15.478 -6.613 1.00 0.00 H new ATOM 0 HA MET A 58 2.813 13.858 -4.503 1.00 0.00 H new ATOM 0 HB2 MET A 58 1.384 15.177 -5.973 1.00 0.00 H new ATOM 0 HB3 MET A 58 2.027 14.391 -7.401 1.00 0.00 H new ATOM 0 HG2 MET A 58 0.825 12.605 -5.278 1.00 0.00 H new ATOM 0 HG3 MET A 58 -0.287 13.576 -6.222 1.00 0.00 H new ATOM 0 HE1 MET A 58 -0.439 12.164 -9.619 1.00 0.00 H new ATOM 0 HE2 MET A 58 -1.340 12.731 -8.192 1.00 0.00 H new ATOM 0 HE3 MET A 58 -0.076 13.757 -8.912 1.00 0.00 H new ATOM 882 N LYS A 59 3.933 12.233 -7.173 1.00 0.00 N ATOM 883 CA LYS A 59 4.382 10.865 -7.558 1.00 0.00 C ATOM 884 C LYS A 59 5.431 10.395 -6.546 1.00 0.00 C ATOM 885 O LYS A 59 5.481 9.234 -6.182 1.00 0.00 O ATOM 886 CB LYS A 59 4.974 10.871 -8.984 1.00 0.00 C ATOM 887 CG LYS A 59 4.658 9.533 -9.701 1.00 0.00 C ATOM 888 CD LYS A 59 3.332 9.648 -10.459 1.00 0.00 C ATOM 889 CE LYS A 59 3.070 8.346 -11.211 1.00 0.00 C ATOM 890 NZ LYS A 59 1.743 8.416 -11.886 1.00 0.00 N ATOM 0 H LYS A 59 4.002 12.944 -7.901 1.00 0.00 H new ATOM 0 HA LYS A 59 3.532 10.183 -7.553 1.00 0.00 H new ATOM 0 HB2 LYS A 59 4.561 11.704 -9.554 1.00 0.00 H new ATOM 0 HB3 LYS A 59 6.053 11.021 -8.937 1.00 0.00 H new ATOM 0 HG2 LYS A 59 5.462 9.283 -10.393 1.00 0.00 H new ATOM 0 HG3 LYS A 59 4.601 8.724 -8.972 1.00 0.00 H new ATOM 0 HD2 LYS A 59 2.518 9.850 -9.763 1.00 0.00 H new ATOM 0 HD3 LYS A 59 3.370 10.484 -11.157 1.00 0.00 H new ATOM 0 HE2 LYS A 59 3.855 8.175 -11.948 1.00 0.00 H new ATOM 0 HE3 LYS A 59 3.093 7.504 -10.519 1.00 0.00 H new ATOM 0 HZ1 LYS A 59 1.567 7.528 -12.398 1.00 0.00 H new ATOM 0 HZ2 LYS A 59 0.999 8.559 -11.174 1.00 0.00 H new ATOM 0 HZ3 LYS A 59 1.737 9.210 -12.558 1.00 0.00 H new ATOM 904 N ASP A 60 6.260 11.286 -6.063 1.00 0.00 N ATOM 905 CA ASP A 60 7.268 10.862 -5.059 1.00 0.00 C ATOM 906 C ASP A 60 6.507 10.231 -3.901 1.00 0.00 C ATOM 907 O ASP A 60 6.944 9.278 -3.288 1.00 0.00 O ATOM 908 CB ASP A 60 8.075 12.067 -4.567 1.00 0.00 C ATOM 909 CG ASP A 60 8.918 12.619 -5.718 1.00 0.00 C ATOM 910 OD1 ASP A 60 8.424 12.641 -6.833 1.00 0.00 O ATOM 911 OD2 ASP A 60 10.045 13.011 -5.464 1.00 0.00 O ATOM 0 H ASP A 60 6.279 12.273 -6.319 1.00 0.00 H new ATOM 0 HA ASP A 60 7.971 10.153 -5.496 1.00 0.00 H new ATOM 0 HB2 ASP A 60 7.404 12.839 -4.191 1.00 0.00 H new ATOM 0 HB3 ASP A 60 8.719 11.773 -3.738 1.00 0.00 H new ATOM 916 N PHE A 61 5.331 10.721 -3.622 1.00 0.00 N ATOM 917 CA PHE A 61 4.535 10.092 -2.542 1.00 0.00 C ATOM 918 C PHE A 61 4.380 8.620 -2.926 1.00 0.00 C ATOM 919 O PHE A 61 4.376 7.741 -2.088 1.00 0.00 O ATOM 920 CB PHE A 61 3.174 10.795 -2.417 1.00 0.00 C ATOM 921 CG PHE A 61 2.599 10.588 -1.027 1.00 0.00 C ATOM 922 CD1 PHE A 61 3.311 11.017 0.108 1.00 0.00 C ATOM 923 CD2 PHE A 61 1.348 9.978 -0.872 1.00 0.00 C ATOM 924 CE1 PHE A 61 2.771 10.830 1.384 1.00 0.00 C ATOM 925 CE2 PHE A 61 0.813 9.795 0.406 1.00 0.00 C ATOM 926 CZ PHE A 61 1.524 10.219 1.533 1.00 0.00 C ATOM 0 H PHE A 61 4.896 11.517 -4.089 1.00 0.00 H new ATOM 0 HA PHE A 61 5.021 10.179 -1.570 1.00 0.00 H new ATOM 0 HB2 PHE A 61 3.288 11.861 -2.616 1.00 0.00 H new ATOM 0 HB3 PHE A 61 2.485 10.403 -3.165 1.00 0.00 H new ATOM 0 HD1 PHE A 61 4.275 11.491 -0.006 1.00 0.00 H new ATOM 0 HD2 PHE A 61 0.797 9.649 -1.740 1.00 0.00 H new ATOM 0 HE1 PHE A 61 3.319 11.158 2.255 1.00 0.00 H new ATOM 0 HE2 PHE A 61 -0.152 9.325 0.524 1.00 0.00 H new ATOM 0 HZ PHE A 61 1.109 10.074 2.519 1.00 0.00 H new ATOM 936 N ARG A 62 4.316 8.347 -4.210 1.00 0.00 N ATOM 937 CA ARG A 62 4.236 6.932 -4.663 1.00 0.00 C ATOM 938 C ARG A 62 5.416 6.191 -4.050 1.00 0.00 C ATOM 939 O ARG A 62 5.261 5.128 -3.510 1.00 0.00 O ATOM 940 CB ARG A 62 4.318 6.854 -6.198 1.00 0.00 C ATOM 941 CG ARG A 62 3.702 5.528 -6.688 1.00 0.00 C ATOM 942 CD ARG A 62 4.275 5.152 -8.060 1.00 0.00 C ATOM 943 NE ARG A 62 5.584 4.461 -7.879 1.00 0.00 N ATOM 944 CZ ARG A 62 6.454 4.436 -8.853 1.00 0.00 C ATOM 945 NH1 ARG A 62 6.180 5.018 -9.988 1.00 0.00 N ATOM 946 NH2 ARG A 62 7.597 3.829 -8.690 1.00 0.00 N ATOM 0 H ARG A 62 4.316 9.043 -4.955 1.00 0.00 H new ATOM 0 HA ARG A 62 3.290 6.489 -4.352 1.00 0.00 H new ATOM 0 HB2 ARG A 62 3.790 7.697 -6.643 1.00 0.00 H new ATOM 0 HB3 ARG A 62 5.357 6.924 -6.520 1.00 0.00 H new ATOM 0 HG2 ARG A 62 3.909 4.735 -5.970 1.00 0.00 H new ATOM 0 HG3 ARG A 62 2.618 5.624 -6.753 1.00 0.00 H new ATOM 0 HD2 ARG A 62 3.579 4.503 -8.591 1.00 0.00 H new ATOM 0 HD3 ARG A 62 4.405 6.046 -8.669 1.00 0.00 H new ATOM 0 HE ARG A 62 5.801 4.006 -6.992 1.00 0.00 H new ATOM 0 HH11 ARG A 62 5.286 5.493 -10.115 1.00 0.00 H new ATOM 0 HH12 ARG A 62 6.860 4.998 -10.748 1.00 0.00 H new ATOM 0 HH21 ARG A 62 7.811 3.374 -7.802 1.00 0.00 H new ATOM 0 HH22 ARG A 62 8.277 3.809 -9.450 1.00 0.00 H new ATOM 960 N HIS A 63 6.598 6.755 -4.103 1.00 0.00 N ATOM 961 CA HIS A 63 7.762 6.064 -3.490 1.00 0.00 C ATOM 962 C HIS A 63 7.363 5.659 -2.060 1.00 0.00 C ATOM 963 O HIS A 63 7.822 4.669 -1.532 1.00 0.00 O ATOM 964 CB HIS A 63 8.987 7.017 -3.529 1.00 0.00 C ATOM 965 CG HIS A 63 9.582 7.237 -2.157 1.00 0.00 C ATOM 966 ND1 HIS A 63 10.639 6.479 -1.676 1.00 0.00 N ATOM 967 CD2 HIS A 63 9.274 8.127 -1.158 1.00 0.00 C ATOM 968 CE1 HIS A 63 10.926 6.923 -0.439 1.00 0.00 C ATOM 969 NE2 HIS A 63 10.123 7.927 -0.075 1.00 0.00 N ATOM 0 H HIS A 63 6.801 7.654 -4.540 1.00 0.00 H new ATOM 0 HA HIS A 63 8.042 5.162 -4.034 1.00 0.00 H new ATOM 0 HB2 HIS A 63 9.747 6.602 -4.191 1.00 0.00 H new ATOM 0 HB3 HIS A 63 8.686 7.976 -3.951 1.00 0.00 H new ATOM 0 HD2 HIS A 63 8.491 8.870 -1.206 1.00 0.00 H new ATOM 0 HE1 HIS A 63 11.710 6.518 0.184 1.00 0.00 H new ATOM 0 HE2 HIS A 63 10.131 8.437 0.808 1.00 0.00 H new ATOM 977 N GLY A 64 6.476 6.404 -1.453 1.00 0.00 N ATOM 978 CA GLY A 64 6.007 6.041 -0.083 1.00 0.00 C ATOM 979 C GLY A 64 5.109 4.803 -0.199 1.00 0.00 C ATOM 980 O GLY A 64 5.289 3.817 0.490 1.00 0.00 O ATOM 0 H GLY A 64 6.057 7.247 -1.846 1.00 0.00 H new ATOM 0 HA2 GLY A 64 6.857 5.835 0.568 1.00 0.00 H new ATOM 0 HA3 GLY A 64 5.457 6.870 0.363 1.00 0.00 H new ATOM 984 N PHE A 65 4.153 4.851 -1.090 1.00 0.00 N ATOM 985 CA PHE A 65 3.235 3.692 -1.302 1.00 0.00 C ATOM 986 C PHE A 65 4.019 2.583 -1.999 1.00 0.00 C ATOM 987 O PHE A 65 3.806 1.409 -1.780 1.00 0.00 O ATOM 988 CB PHE A 65 2.111 4.144 -2.251 1.00 0.00 C ATOM 989 CG PHE A 65 0.861 4.503 -1.494 1.00 0.00 C ATOM 990 CD1 PHE A 65 -0.059 3.509 -1.160 1.00 0.00 C ATOM 991 CD2 PHE A 65 0.615 5.834 -1.158 1.00 0.00 C ATOM 992 CE1 PHE A 65 -1.234 3.848 -0.481 1.00 0.00 C ATOM 993 CE2 PHE A 65 -0.558 6.176 -0.486 1.00 0.00 C ATOM 994 CZ PHE A 65 -1.485 5.183 -0.146 1.00 0.00 C ATOM 0 H PHE A 65 3.967 5.656 -1.688 1.00 0.00 H new ATOM 0 HA PHE A 65 2.829 3.342 -0.353 1.00 0.00 H new ATOM 0 HB2 PHE A 65 2.446 5.004 -2.830 1.00 0.00 H new ATOM 0 HB3 PHE A 65 1.891 3.347 -2.962 1.00 0.00 H new ATOM 0 HD1 PHE A 65 0.135 2.480 -1.425 1.00 0.00 H new ATOM 0 HD2 PHE A 65 1.332 6.599 -1.418 1.00 0.00 H new ATOM 0 HE1 PHE A 65 -1.946 3.081 -0.216 1.00 0.00 H new ATOM 0 HE2 PHE A 65 -0.752 7.207 -0.228 1.00 0.00 H new ATOM 0 HZ PHE A 65 -2.393 5.448 0.375 1.00 0.00 H new ATOM 1004 N ASP A 66 4.899 2.960 -2.866 1.00 0.00 N ATOM 1005 CA ASP A 66 5.674 1.954 -3.616 1.00 0.00 C ATOM 1006 C ASP A 66 6.338 1.008 -2.603 1.00 0.00 C ATOM 1007 O ASP A 66 6.405 -0.188 -2.796 1.00 0.00 O ATOM 1008 CB ASP A 66 6.755 2.653 -4.451 1.00 0.00 C ATOM 1009 CG ASP A 66 7.218 1.728 -5.580 1.00 0.00 C ATOM 1010 OD1 ASP A 66 6.376 1.051 -6.147 1.00 0.00 O ATOM 1011 OD2 ASP A 66 8.406 1.714 -5.859 1.00 0.00 O ATOM 0 H ASP A 66 5.117 3.931 -3.090 1.00 0.00 H new ATOM 0 HA ASP A 66 5.019 1.395 -4.284 1.00 0.00 H new ATOM 0 HB2 ASP A 66 6.363 3.581 -4.867 1.00 0.00 H new ATOM 0 HB3 ASP A 66 7.601 2.920 -3.817 1.00 0.00 H new ATOM 1016 N ILE A 67 6.823 1.553 -1.519 1.00 0.00 N ATOM 1017 CA ILE A 67 7.477 0.722 -0.471 1.00 0.00 C ATOM 1018 C ILE A 67 6.453 -0.203 0.199 1.00 0.00 C ATOM 1019 O ILE A 67 6.563 -1.416 0.137 1.00 0.00 O ATOM 1020 CB ILE A 67 8.079 1.657 0.578 1.00 0.00 C ATOM 1021 CG1 ILE A 67 9.141 2.577 -0.094 1.00 0.00 C ATOM 1022 CG2 ILE A 67 8.695 0.826 1.713 1.00 0.00 C ATOM 1023 CD1 ILE A 67 10.563 2.024 0.092 1.00 0.00 C ATOM 0 H ILE A 67 6.792 2.552 -1.314 1.00 0.00 H new ATOM 0 HA ILE A 67 8.252 0.106 -0.927 1.00 0.00 H new ATOM 0 HB ILE A 67 7.302 2.291 1.005 1.00 0.00 H new ATOM 0 HG12 ILE A 67 8.922 2.671 -1.158 1.00 0.00 H new ATOM 0 HG13 ILE A 67 9.080 3.578 0.333 1.00 0.00 H new ATOM 0 HG21 ILE A 67 9.124 1.493 2.461 1.00 0.00 H new ATOM 0 HG22 ILE A 67 7.922 0.212 2.175 1.00 0.00 H new ATOM 0 HG23 ILE A 67 9.477 0.182 1.310 1.00 0.00 H new ATOM 0 HD11 ILE A 67 11.279 2.691 -0.389 1.00 0.00 H new ATOM 0 HD12 ILE A 67 10.790 1.955 1.156 1.00 0.00 H new ATOM 0 HD13 ILE A 67 10.630 1.034 -0.358 1.00 0.00 H new ATOM 1035 N LEU A 68 5.467 0.354 0.862 1.00 0.00 N ATOM 1036 CA LEU A 68 4.469 -0.514 1.546 1.00 0.00 C ATOM 1037 C LEU A 68 3.905 -1.526 0.540 1.00 0.00 C ATOM 1038 O LEU A 68 3.803 -2.702 0.833 1.00 0.00 O ATOM 1039 CB LEU A 68 3.375 0.349 2.231 1.00 0.00 C ATOM 1040 CG LEU A 68 2.339 0.930 1.234 1.00 0.00 C ATOM 1041 CD1 LEU A 68 1.147 -0.028 1.041 1.00 0.00 C ATOM 1042 CD2 LEU A 68 1.802 2.274 1.785 1.00 0.00 C ATOM 0 H LEU A 68 5.315 1.358 0.956 1.00 0.00 H new ATOM 0 HA LEU A 68 4.946 -1.082 2.345 1.00 0.00 H new ATOM 0 HB2 LEU A 68 2.855 -0.257 2.972 1.00 0.00 H new ATOM 0 HB3 LEU A 68 3.852 1.169 2.768 1.00 0.00 H new ATOM 0 HG LEU A 68 2.836 1.071 0.274 1.00 0.00 H new ATOM 0 HD11 LEU A 68 0.439 0.409 0.336 1.00 0.00 H new ATOM 0 HD12 LEU A 68 1.505 -0.981 0.651 1.00 0.00 H new ATOM 0 HD13 LEU A 68 0.652 -0.191 1.998 1.00 0.00 H new ATOM 0 HD21 LEU A 68 1.073 2.688 1.088 1.00 0.00 H new ATOM 0 HD22 LEU A 68 1.326 2.107 2.751 1.00 0.00 H new ATOM 0 HD23 LEU A 68 2.628 2.975 1.904 1.00 0.00 H new ATOM 1054 N VAL A 69 3.576 -1.105 -0.653 1.00 0.00 N ATOM 1055 CA VAL A 69 3.065 -2.079 -1.663 1.00 0.00 C ATOM 1056 C VAL A 69 4.186 -3.060 -2.025 1.00 0.00 C ATOM 1057 O VAL A 69 3.961 -4.073 -2.656 1.00 0.00 O ATOM 1058 CB VAL A 69 2.572 -1.319 -2.931 1.00 0.00 C ATOM 1059 CG1 VAL A 69 3.552 -1.445 -4.111 1.00 0.00 C ATOM 1060 CG2 VAL A 69 1.216 -1.871 -3.366 1.00 0.00 C ATOM 0 H VAL A 69 3.638 -0.138 -0.970 1.00 0.00 H new ATOM 0 HA VAL A 69 2.224 -2.634 -1.248 1.00 0.00 H new ATOM 0 HB VAL A 69 2.498 -0.265 -2.662 1.00 0.00 H new ATOM 0 HG11 VAL A 69 3.161 -0.898 -4.969 1.00 0.00 H new ATOM 0 HG12 VAL A 69 4.519 -1.031 -3.826 1.00 0.00 H new ATOM 0 HG13 VAL A 69 3.671 -2.496 -4.375 1.00 0.00 H new ATOM 0 HG21 VAL A 69 0.874 -1.338 -4.253 1.00 0.00 H new ATOM 0 HG22 VAL A 69 1.312 -2.932 -3.595 1.00 0.00 H new ATOM 0 HG23 VAL A 69 0.494 -1.737 -2.561 1.00 0.00 H new ATOM 1070 N GLY A 70 5.396 -2.734 -1.677 1.00 0.00 N ATOM 1071 CA GLY A 70 6.534 -3.610 -2.054 1.00 0.00 C ATOM 1072 C GLY A 70 6.499 -4.936 -1.294 1.00 0.00 C ATOM 1073 O GLY A 70 6.429 -5.992 -1.891 1.00 0.00 O ATOM 0 H GLY A 70 5.646 -1.899 -1.148 1.00 0.00 H new ATOM 0 HA2 GLY A 70 6.505 -3.804 -3.126 1.00 0.00 H new ATOM 0 HA3 GLY A 70 7.473 -3.096 -1.848 1.00 0.00 H new ATOM 1077 N GLN A 71 6.574 -4.913 0.009 1.00 0.00 N ATOM 1078 CA GLN A 71 6.572 -6.210 0.754 1.00 0.00 C ATOM 1079 C GLN A 71 5.187 -6.856 0.663 1.00 0.00 C ATOM 1080 O GLN A 71 5.045 -8.055 0.809 1.00 0.00 O ATOM 1081 CB GLN A 71 6.984 -6.001 2.236 1.00 0.00 C ATOM 1082 CG GLN A 71 7.657 -4.632 2.418 1.00 0.00 C ATOM 1083 CD GLN A 71 6.593 -3.538 2.517 1.00 0.00 C ATOM 1084 OE1 GLN A 71 6.913 -2.369 2.590 1.00 0.00 O ATOM 1085 NE2 GLN A 71 5.333 -3.875 2.526 1.00 0.00 N ATOM 0 H GLN A 71 6.635 -4.072 0.583 1.00 0.00 H new ATOM 0 HA GLN A 71 7.305 -6.876 0.298 1.00 0.00 H new ATOM 0 HB2 GLN A 71 6.105 -6.069 2.877 1.00 0.00 H new ATOM 0 HB3 GLN A 71 7.666 -6.793 2.545 1.00 0.00 H new ATOM 0 HG2 GLN A 71 8.272 -4.636 3.318 1.00 0.00 H new ATOM 0 HG3 GLN A 71 8.322 -4.430 1.579 1.00 0.00 H new ATOM 0 HE21 GLN A 71 5.068 -4.858 2.465 1.00 0.00 H new ATOM 0 HE22 GLN A 71 4.613 -3.156 2.594 1.00 0.00 H new ATOM 1094 N ILE A 72 4.170 -6.088 0.406 1.00 0.00 N ATOM 1095 CA ILE A 72 2.814 -6.687 0.289 1.00 0.00 C ATOM 1096 C ILE A 72 2.813 -7.643 -0.904 1.00 0.00 C ATOM 1097 O ILE A 72 2.569 -8.826 -0.771 1.00 0.00 O ATOM 1098 CB ILE A 72 1.787 -5.577 0.058 1.00 0.00 C ATOM 1099 CG1 ILE A 72 1.526 -4.854 1.384 1.00 0.00 C ATOM 1100 CG2 ILE A 72 0.475 -6.174 -0.473 1.00 0.00 C ATOM 1101 CD1 ILE A 72 0.636 -3.626 1.167 1.00 0.00 C ATOM 0 H ILE A 72 4.217 -5.078 0.272 1.00 0.00 H new ATOM 0 HA ILE A 72 2.557 -7.225 1.201 1.00 0.00 H new ATOM 0 HB ILE A 72 2.174 -4.872 -0.678 1.00 0.00 H new ATOM 0 HG12 ILE A 72 1.048 -5.536 2.087 1.00 0.00 H new ATOM 0 HG13 ILE A 72 2.473 -4.549 1.830 1.00 0.00 H new ATOM 0 HG21 ILE A 72 -0.249 -5.375 -0.634 1.00 0.00 H new ATOM 0 HG22 ILE A 72 0.664 -6.688 -1.416 1.00 0.00 H new ATOM 0 HG23 ILE A 72 0.078 -6.883 0.253 1.00 0.00 H new ATOM 0 HD11 ILE A 72 0.464 -3.128 2.121 1.00 0.00 H new ATOM 0 HD12 ILE A 72 1.129 -2.936 0.482 1.00 0.00 H new ATOM 0 HD13 ILE A 72 -0.318 -3.939 0.743 1.00 0.00 H new ATOM 1113 N ASP A 73 3.094 -7.130 -2.068 1.00 0.00 N ATOM 1114 CA ASP A 73 3.122 -7.993 -3.274 1.00 0.00 C ATOM 1115 C ASP A 73 4.124 -9.116 -3.041 1.00 0.00 C ATOM 1116 O ASP A 73 3.932 -10.225 -3.475 1.00 0.00 O ATOM 1117 CB ASP A 73 3.541 -7.156 -4.490 1.00 0.00 C ATOM 1118 CG ASP A 73 5.020 -6.775 -4.381 1.00 0.00 C ATOM 1119 OD1 ASP A 73 5.852 -7.615 -4.685 1.00 0.00 O ATOM 1120 OD2 ASP A 73 5.295 -5.650 -3.997 1.00 0.00 O ATOM 0 H ASP A 73 3.306 -6.146 -2.234 1.00 0.00 H new ATOM 0 HA ASP A 73 2.135 -8.415 -3.462 1.00 0.00 H new ATOM 0 HB2 ASP A 73 3.369 -7.720 -5.407 1.00 0.00 H new ATOM 0 HB3 ASP A 73 2.929 -6.256 -4.550 1.00 0.00 H new ATOM 1125 N ASP A 74 5.194 -8.861 -2.348 1.00 0.00 N ATOM 1126 CA ASP A 74 6.150 -9.965 -2.125 1.00 0.00 C ATOM 1127 C ASP A 74 5.428 -11.056 -1.346 1.00 0.00 C ATOM 1128 O ASP A 74 5.794 -12.211 -1.393 1.00 0.00 O ATOM 1129 CB ASP A 74 7.372 -9.457 -1.373 1.00 0.00 C ATOM 1130 CG ASP A 74 8.377 -10.596 -1.198 1.00 0.00 C ATOM 1131 OD1 ASP A 74 8.249 -11.586 -1.898 1.00 0.00 O ATOM 1132 OD2 ASP A 74 9.259 -10.458 -0.367 1.00 0.00 O ATOM 0 H ASP A 74 5.441 -7.960 -1.938 1.00 0.00 H new ATOM 0 HA ASP A 74 6.503 -10.370 -3.073 1.00 0.00 H new ATOM 0 HB2 ASP A 74 7.832 -8.634 -1.920 1.00 0.00 H new ATOM 0 HB3 ASP A 74 7.076 -9.067 -0.399 1.00 0.00 H new ATOM 1137 N ALA A 75 4.359 -10.717 -0.678 1.00 0.00 N ATOM 1138 CA ALA A 75 3.594 -11.775 0.022 1.00 0.00 C ATOM 1139 C ALA A 75 2.900 -12.571 -1.079 1.00 0.00 C ATOM 1140 O ALA A 75 2.753 -13.775 -1.015 1.00 0.00 O ATOM 1141 CB ALA A 75 2.560 -11.167 0.963 1.00 0.00 C ATOM 0 H ALA A 75 3.991 -9.770 -0.590 1.00 0.00 H new ATOM 0 HA ALA A 75 4.246 -12.400 0.632 1.00 0.00 H new ATOM 0 HB1 ALA A 75 2.012 -11.964 1.465 1.00 0.00 H new ATOM 0 HB2 ALA A 75 3.063 -10.549 1.706 1.00 0.00 H new ATOM 0 HB3 ALA A 75 1.865 -10.552 0.391 1.00 0.00 H new ATOM 1147 N LEU A 76 2.527 -11.876 -2.126 1.00 0.00 N ATOM 1148 CA LEU A 76 1.895 -12.527 -3.305 1.00 0.00 C ATOM 1149 C LEU A 76 2.890 -13.567 -3.813 1.00 0.00 C ATOM 1150 O LEU A 76 2.547 -14.666 -4.200 1.00 0.00 O ATOM 1151 CB LEU A 76 1.660 -11.434 -4.368 1.00 0.00 C ATOM 1152 CG LEU A 76 0.596 -11.859 -5.384 1.00 0.00 C ATOM 1153 CD1 LEU A 76 0.268 -10.671 -6.300 1.00 0.00 C ATOM 1154 CD2 LEU A 76 1.101 -13.038 -6.226 1.00 0.00 C ATOM 0 H LEU A 76 2.638 -10.866 -2.210 1.00 0.00 H new ATOM 0 HA LEU A 76 0.944 -13.005 -3.069 1.00 0.00 H new ATOM 0 HB2 LEU A 76 1.350 -10.510 -3.879 1.00 0.00 H new ATOM 0 HB3 LEU A 76 2.595 -11.222 -4.886 1.00 0.00 H new ATOM 0 HG LEU A 76 -0.301 -12.172 -4.850 1.00 0.00 H new ATOM 0 HD11 LEU A 76 -0.489 -10.969 -7.025 1.00 0.00 H new ATOM 0 HD12 LEU A 76 -0.110 -9.843 -5.700 1.00 0.00 H new ATOM 0 HD13 LEU A 76 1.170 -10.357 -6.825 1.00 0.00 H new ATOM 0 HD21 LEU A 76 0.333 -13.328 -6.943 1.00 0.00 H new ATOM 0 HD22 LEU A 76 2.004 -12.743 -6.760 1.00 0.00 H new ATOM 0 HD23 LEU A 76 1.325 -13.882 -5.573 1.00 0.00 H new ATOM 1166 N LYS A 77 4.138 -13.205 -3.780 1.00 0.00 N ATOM 1167 CA LYS A 77 5.225 -14.110 -4.219 1.00 0.00 C ATOM 1168 C LYS A 77 5.261 -15.340 -3.313 1.00 0.00 C ATOM 1169 O LYS A 77 5.341 -16.474 -3.755 1.00 0.00 O ATOM 1170 CB LYS A 77 6.528 -13.312 -4.097 1.00 0.00 C ATOM 1171 CG LYS A 77 7.595 -13.844 -5.049 1.00 0.00 C ATOM 1172 CD LYS A 77 8.859 -12.947 -4.962 1.00 0.00 C ATOM 1173 CE LYS A 77 9.843 -13.513 -3.926 1.00 0.00 C ATOM 1174 NZ LYS A 77 10.674 -14.577 -4.557 1.00 0.00 N ATOM 0 H LYS A 77 4.456 -12.291 -3.457 1.00 0.00 H new ATOM 0 HA LYS A 77 5.077 -14.455 -5.242 1.00 0.00 H new ATOM 0 HB2 LYS A 77 6.335 -12.261 -4.314 1.00 0.00 H new ATOM 0 HB3 LYS A 77 6.894 -13.364 -3.072 1.00 0.00 H new ATOM 0 HG2 LYS A 77 7.847 -14.873 -4.791 1.00 0.00 H new ATOM 0 HG3 LYS A 77 7.214 -13.856 -6.070 1.00 0.00 H new ATOM 0 HD2 LYS A 77 9.341 -12.890 -5.938 1.00 0.00 H new ATOM 0 HD3 LYS A 77 8.575 -11.931 -4.687 1.00 0.00 H new ATOM 0 HE2 LYS A 77 10.482 -12.717 -3.543 1.00 0.00 H new ATOM 0 HE3 LYS A 77 9.297 -13.920 -3.075 1.00 0.00 H new ATOM 0 HZ1 LYS A 77 11.340 -14.959 -3.855 1.00 0.00 H new ATOM 0 HZ2 LYS A 77 10.057 -15.340 -4.902 1.00 0.00 H new ATOM 0 HZ3 LYS A 77 11.206 -14.175 -5.355 1.00 0.00 H new ATOM 1188 N LEU A 78 5.191 -15.114 -2.045 1.00 0.00 N ATOM 1189 CA LEU A 78 5.212 -16.219 -1.078 1.00 0.00 C ATOM 1190 C LEU A 78 3.956 -17.081 -1.282 1.00 0.00 C ATOM 1191 O LEU A 78 4.040 -18.272 -1.487 1.00 0.00 O ATOM 1192 CB LEU A 78 5.230 -15.569 0.307 1.00 0.00 C ATOM 1193 CG LEU A 78 6.644 -15.606 0.904 1.00 0.00 C ATOM 1194 CD1 LEU A 78 7.576 -14.724 0.072 1.00 0.00 C ATOM 1195 CD2 LEU A 78 6.597 -15.086 2.335 1.00 0.00 C ATOM 0 H LEU A 78 5.118 -14.185 -1.630 1.00 0.00 H new ATOM 0 HA LEU A 78 6.078 -16.870 -1.198 1.00 0.00 H new ATOM 0 HB2 LEU A 78 4.887 -14.537 0.235 1.00 0.00 H new ATOM 0 HB3 LEU A 78 4.537 -16.090 0.968 1.00 0.00 H new ATOM 0 HG LEU A 78 7.016 -16.630 0.897 1.00 0.00 H new ATOM 0 HD11 LEU A 78 8.579 -14.752 0.498 1.00 0.00 H new ATOM 0 HD12 LEU A 78 7.606 -15.093 -0.953 1.00 0.00 H new ATOM 0 HD13 LEU A 78 7.208 -13.698 0.078 1.00 0.00 H new ATOM 0 HD21 LEU A 78 7.599 -15.110 2.764 1.00 0.00 H new ATOM 0 HD22 LEU A 78 6.226 -14.061 2.338 1.00 0.00 H new ATOM 0 HD23 LEU A 78 5.933 -15.714 2.929 1.00 0.00 H new ATOM 1207 N ALA A 79 2.795 -16.486 -1.234 1.00 0.00 N ATOM 1208 CA ALA A 79 1.540 -17.271 -1.429 1.00 0.00 C ATOM 1209 C ALA A 79 1.694 -18.206 -2.636 1.00 0.00 C ATOM 1210 O ALA A 79 1.163 -19.298 -2.651 1.00 0.00 O ATOM 1211 CB ALA A 79 0.370 -16.316 -1.673 1.00 0.00 C ATOM 0 H ALA A 79 2.660 -15.489 -1.068 1.00 0.00 H new ATOM 0 HA ALA A 79 1.347 -17.864 -0.535 1.00 0.00 H new ATOM 0 HB1 ALA A 79 -0.545 -16.891 -1.815 1.00 0.00 H new ATOM 0 HB2 ALA A 79 0.254 -15.656 -0.814 1.00 0.00 H new ATOM 0 HB3 ALA A 79 0.566 -15.720 -2.564 1.00 0.00 H new ATOM 1217 N ASN A 80 2.440 -17.807 -3.638 1.00 0.00 N ATOM 1218 CA ASN A 80 2.633 -18.714 -4.808 1.00 0.00 C ATOM 1219 C ASN A 80 3.356 -19.955 -4.301 1.00 0.00 C ATOM 1220 O ASN A 80 3.159 -21.051 -4.787 1.00 0.00 O ATOM 1221 CB ASN A 80 3.490 -18.038 -5.881 1.00 0.00 C ATOM 1222 CG ASN A 80 2.827 -16.750 -6.386 1.00 0.00 C ATOM 1223 OD1 ASN A 80 1.684 -16.351 -5.891 1.00 0.00 O flip ATOM 1224 ND2 ASN A 80 3.364 -16.091 -7.253 1.00 0.00 N flip ATOM 0 H ASN A 80 2.916 -16.907 -3.695 1.00 0.00 H new ATOM 0 HA ASN A 80 1.669 -18.964 -5.251 1.00 0.00 H new ATOM 0 HB2 ASN A 80 4.474 -17.808 -5.473 1.00 0.00 H new ATOM 0 HB3 ASN A 80 3.642 -18.724 -6.715 1.00 0.00 H new ATOM 0 HD21 ASN A 80 4.255 -16.394 -7.645 1.00 0.00 H new ATOM 0 HD22 ASN A 80 2.924 -15.235 -7.589 1.00 0.00 H new ATOM 1231 N GLU A 81 4.183 -19.785 -3.307 1.00 0.00 N ATOM 1232 CA GLU A 81 4.917 -20.949 -2.731 1.00 0.00 C ATOM 1233 C GLU A 81 4.015 -21.629 -1.689 1.00 0.00 C ATOM 1234 O GLU A 81 4.403 -22.579 -1.037 1.00 0.00 O ATOM 1235 CB GLU A 81 6.205 -20.456 -2.054 1.00 0.00 C ATOM 1236 CG GLU A 81 7.183 -21.634 -1.824 1.00 0.00 C ATOM 1237 CD GLU A 81 8.181 -21.732 -2.985 1.00 0.00 C ATOM 1238 OE1 GLU A 81 9.030 -20.862 -3.085 1.00 0.00 O ATOM 1239 OE2 GLU A 81 8.080 -22.677 -3.748 1.00 0.00 O ATOM 0 H GLU A 81 4.383 -18.887 -2.867 1.00 0.00 H new ATOM 0 HA GLU A 81 5.176 -21.657 -3.518 1.00 0.00 H new ATOM 0 HB2 GLU A 81 6.681 -19.697 -2.674 1.00 0.00 H new ATOM 0 HB3 GLU A 81 5.964 -19.984 -1.101 1.00 0.00 H new ATOM 0 HG2 GLU A 81 7.719 -21.492 -0.886 1.00 0.00 H new ATOM 0 HG3 GLU A 81 6.625 -22.566 -1.735 1.00 0.00 H new ATOM 1246 N GLY A 82 2.801 -21.158 -1.545 1.00 0.00 N ATOM 1247 CA GLY A 82 1.856 -21.781 -0.567 1.00 0.00 C ATOM 1248 C GLY A 82 2.066 -21.210 0.842 1.00 0.00 C ATOM 1249 O GLY A 82 2.147 -21.944 1.806 1.00 0.00 O ATOM 0 H GLY A 82 2.422 -20.366 -2.065 1.00 0.00 H new ATOM 0 HA2 GLY A 82 0.829 -21.604 -0.885 1.00 0.00 H new ATOM 0 HA3 GLY A 82 2.003 -22.861 -0.551 1.00 0.00 H new ATOM 1253 N LYS A 83 2.147 -19.908 0.973 1.00 0.00 N ATOM 1254 CA LYS A 83 2.341 -19.290 2.325 1.00 0.00 C ATOM 1255 C LYS A 83 1.019 -18.735 2.839 1.00 0.00 C ATOM 1256 O LYS A 83 0.835 -17.542 2.967 1.00 0.00 O ATOM 1257 CB LYS A 83 3.328 -18.137 2.214 1.00 0.00 C ATOM 1258 CG LYS A 83 4.725 -18.607 1.747 1.00 0.00 C ATOM 1259 CD LYS A 83 5.108 -19.992 2.305 1.00 0.00 C ATOM 1260 CE LYS A 83 6.585 -20.288 2.002 1.00 0.00 C ATOM 1261 NZ LYS A 83 7.440 -19.695 3.068 1.00 0.00 N ATOM 0 H LYS A 83 2.087 -19.244 0.201 1.00 0.00 H new ATOM 0 HA LYS A 83 2.715 -20.052 3.009 1.00 0.00 H new ATOM 0 HB2 LYS A 83 2.942 -17.397 1.513 1.00 0.00 H new ATOM 0 HB3 LYS A 83 3.417 -17.643 3.182 1.00 0.00 H new ATOM 0 HG2 LYS A 83 4.746 -18.641 0.658 1.00 0.00 H new ATOM 0 HG3 LYS A 83 5.472 -17.876 2.058 1.00 0.00 H new ATOM 0 HD2 LYS A 83 4.936 -20.021 3.381 1.00 0.00 H new ATOM 0 HD3 LYS A 83 4.476 -20.760 1.860 1.00 0.00 H new ATOM 0 HE2 LYS A 83 6.747 -21.364 1.948 1.00 0.00 H new ATOM 0 HE3 LYS A 83 6.858 -19.875 1.031 1.00 0.00 H new ATOM 0 HZ1 LYS A 83 8.323 -19.341 2.648 1.00 0.00 H new ATOM 0 HZ2 LYS A 83 6.933 -18.909 3.522 1.00 0.00 H new ATOM 0 HZ3 LYS A 83 7.662 -20.421 3.779 1.00 0.00 H new ATOM 1275 N VAL A 84 0.111 -19.598 3.148 1.00 0.00 N ATOM 1276 CA VAL A 84 -1.207 -19.145 3.676 1.00 0.00 C ATOM 1277 C VAL A 84 -1.020 -18.436 5.024 1.00 0.00 C ATOM 1278 O VAL A 84 -1.666 -17.447 5.310 1.00 0.00 O ATOM 1279 CB VAL A 84 -2.121 -20.355 3.875 1.00 0.00 C ATOM 1280 CG1 VAL A 84 -3.544 -19.875 4.162 1.00 0.00 C ATOM 1281 CG2 VAL A 84 -2.119 -21.213 2.609 1.00 0.00 C ATOM 0 H VAL A 84 0.217 -20.609 3.060 1.00 0.00 H new ATOM 0 HA VAL A 84 -1.653 -18.454 2.961 1.00 0.00 H new ATOM 0 HB VAL A 84 -1.759 -20.948 4.715 1.00 0.00 H new ATOM 0 HG11 VAL A 84 -4.197 -20.736 4.304 1.00 0.00 H new ATOM 0 HG12 VAL A 84 -3.547 -19.265 5.065 1.00 0.00 H new ATOM 0 HG13 VAL A 84 -3.904 -19.281 3.322 1.00 0.00 H new ATOM 0 HG21 VAL A 84 -2.771 -22.075 2.753 1.00 0.00 H new ATOM 0 HG22 VAL A 84 -2.480 -20.621 1.768 1.00 0.00 H new ATOM 0 HG23 VAL A 84 -1.105 -21.555 2.403 1.00 0.00 H new ATOM 1291 N LYS A 85 -0.155 -18.944 5.863 1.00 0.00 N ATOM 1292 CA LYS A 85 0.060 -18.318 7.197 1.00 0.00 C ATOM 1293 C LYS A 85 0.842 -17.007 7.052 1.00 0.00 C ATOM 1294 O LYS A 85 0.428 -15.962 7.513 1.00 0.00 O ATOM 1295 CB LYS A 85 0.831 -19.304 8.114 1.00 0.00 C ATOM 1296 CG LYS A 85 1.715 -20.280 7.287 1.00 0.00 C ATOM 1297 CD LYS A 85 3.012 -20.591 8.048 1.00 0.00 C ATOM 1298 CE LYS A 85 3.742 -21.752 7.368 1.00 0.00 C ATOM 1299 NZ LYS A 85 2.984 -23.015 7.592 1.00 0.00 N ATOM 0 H LYS A 85 0.414 -19.770 5.678 1.00 0.00 H new ATOM 0 HA LYS A 85 -0.908 -18.093 7.645 1.00 0.00 H new ATOM 0 HB2 LYS A 85 1.458 -18.743 8.807 1.00 0.00 H new ATOM 0 HB3 LYS A 85 0.122 -19.874 8.715 1.00 0.00 H new ATOM 0 HG2 LYS A 85 1.168 -21.203 7.093 1.00 0.00 H new ATOM 0 HG3 LYS A 85 1.949 -19.839 6.318 1.00 0.00 H new ATOM 0 HD2 LYS A 85 3.652 -19.709 8.071 1.00 0.00 H new ATOM 0 HD3 LYS A 85 2.786 -20.847 9.083 1.00 0.00 H new ATOM 0 HE2 LYS A 85 3.839 -21.558 6.300 1.00 0.00 H new ATOM 0 HE3 LYS A 85 4.751 -21.845 7.768 1.00 0.00 H new ATOM 0 HZ1 LYS A 85 3.626 -23.827 7.492 1.00 0.00 H new ATOM 0 HZ2 LYS A 85 2.577 -23.011 8.549 1.00 0.00 H new ATOM 0 HZ3 LYS A 85 2.219 -23.090 6.891 1.00 0.00 H new ATOM 1313 N GLU A 86 1.980 -17.074 6.436 1.00 0.00 N ATOM 1314 CA GLU A 86 2.837 -15.878 6.257 1.00 0.00 C ATOM 1315 C GLU A 86 2.097 -14.819 5.426 1.00 0.00 C ATOM 1316 O GLU A 86 2.170 -13.638 5.704 1.00 0.00 O ATOM 1317 CB GLU A 86 4.124 -16.353 5.534 1.00 0.00 C ATOM 1318 CG GLU A 86 5.367 -16.172 6.419 1.00 0.00 C ATOM 1319 CD GLU A 86 6.630 -16.212 5.554 1.00 0.00 C ATOM 1320 OE1 GLU A 86 7.037 -17.302 5.186 1.00 0.00 O ATOM 1321 OE2 GLU A 86 7.167 -15.153 5.275 1.00 0.00 O ATOM 0 H GLU A 86 2.363 -17.931 6.038 1.00 0.00 H new ATOM 0 HA GLU A 86 3.085 -15.420 7.215 1.00 0.00 H new ATOM 0 HB2 GLU A 86 4.022 -17.403 5.259 1.00 0.00 H new ATOM 0 HB3 GLU A 86 4.251 -15.792 4.608 1.00 0.00 H new ATOM 0 HG2 GLU A 86 5.310 -15.223 6.952 1.00 0.00 H new ATOM 0 HG3 GLU A 86 5.406 -16.959 7.172 1.00 0.00 H new ATOM 1328 N ALA A 87 1.400 -15.227 4.404 1.00 0.00 N ATOM 1329 CA ALA A 87 0.677 -14.236 3.558 1.00 0.00 C ATOM 1330 C ALA A 87 -0.414 -13.535 4.374 1.00 0.00 C ATOM 1331 O ALA A 87 -0.504 -12.323 4.384 1.00 0.00 O ATOM 1332 CB ALA A 87 0.036 -14.950 2.369 1.00 0.00 C ATOM 0 H ALA A 87 1.299 -16.201 4.117 1.00 0.00 H new ATOM 0 HA ALA A 87 1.390 -13.492 3.203 1.00 0.00 H new ATOM 0 HB1 ALA A 87 -0.493 -14.224 1.751 1.00 0.00 H new ATOM 0 HB2 ALA A 87 0.811 -15.436 1.776 1.00 0.00 H new ATOM 0 HB3 ALA A 87 -0.668 -15.699 2.731 1.00 0.00 H new ATOM 1338 N GLN A 88 -1.249 -14.275 5.052 1.00 0.00 N ATOM 1339 CA GLN A 88 -2.327 -13.621 5.852 1.00 0.00 C ATOM 1340 C GLN A 88 -1.681 -12.750 6.938 1.00 0.00 C ATOM 1341 O GLN A 88 -2.125 -11.653 7.216 1.00 0.00 O ATOM 1342 CB GLN A 88 -3.227 -14.696 6.500 1.00 0.00 C ATOM 1343 CG GLN A 88 -4.396 -15.034 5.570 1.00 0.00 C ATOM 1344 CD GLN A 88 -5.354 -15.987 6.286 1.00 0.00 C ATOM 1345 OE1 GLN A 88 -6.095 -15.584 7.160 1.00 0.00 O ATOM 1346 NE2 GLN A 88 -5.365 -17.246 5.951 1.00 0.00 N ATOM 0 H GLN A 88 -1.233 -15.294 5.088 1.00 0.00 H new ATOM 0 HA GLN A 88 -2.942 -12.999 5.202 1.00 0.00 H new ATOM 0 HB2 GLN A 88 -2.644 -15.594 6.705 1.00 0.00 H new ATOM 0 HB3 GLN A 88 -3.606 -14.336 7.457 1.00 0.00 H new ATOM 0 HG2 GLN A 88 -4.920 -14.123 5.280 1.00 0.00 H new ATOM 0 HG3 GLN A 88 -4.025 -15.493 4.654 1.00 0.00 H new ATOM 0 HE21 GLN A 88 -4.743 -17.584 5.217 1.00 0.00 H new ATOM 0 HE22 GLN A 88 -5.996 -17.894 6.423 1.00 0.00 H new ATOM 1355 N ALA A 89 -0.626 -13.217 7.544 1.00 0.00 N ATOM 1356 CA ALA A 89 0.038 -12.392 8.591 1.00 0.00 C ATOM 1357 C ALA A 89 0.500 -11.087 7.943 1.00 0.00 C ATOM 1358 O ALA A 89 0.361 -10.009 8.498 1.00 0.00 O ATOM 1359 CB ALA A 89 1.245 -13.145 9.154 1.00 0.00 C ATOM 0 H ALA A 89 -0.198 -14.125 7.363 1.00 0.00 H new ATOM 0 HA ALA A 89 -0.655 -12.185 9.406 1.00 0.00 H new ATOM 0 HB1 ALA A 89 1.728 -12.538 9.920 1.00 0.00 H new ATOM 0 HB2 ALA A 89 0.914 -14.086 9.593 1.00 0.00 H new ATOM 0 HB3 ALA A 89 1.954 -13.348 8.351 1.00 0.00 H new ATOM 1365 N ALA A 90 1.023 -11.173 6.751 1.00 0.00 N ATOM 1366 CA ALA A 90 1.466 -9.939 6.057 1.00 0.00 C ATOM 1367 C ALA A 90 0.246 -9.035 5.884 1.00 0.00 C ATOM 1368 O ALA A 90 0.357 -7.839 5.705 1.00 0.00 O ATOM 1369 CB ALA A 90 2.040 -10.298 4.683 1.00 0.00 C ATOM 0 H ALA A 90 1.161 -12.041 6.233 1.00 0.00 H new ATOM 0 HA ALA A 90 2.238 -9.432 6.636 1.00 0.00 H new ATOM 0 HB1 ALA A 90 2.365 -9.390 4.176 1.00 0.00 H new ATOM 0 HB2 ALA A 90 2.891 -10.968 4.808 1.00 0.00 H new ATOM 0 HB3 ALA A 90 1.274 -10.793 4.086 1.00 0.00 H new ATOM 1375 N ALA A 91 -0.924 -9.613 5.950 1.00 0.00 N ATOM 1376 CA ALA A 91 -2.172 -8.815 5.807 1.00 0.00 C ATOM 1377 C ALA A 91 -2.292 -7.836 6.979 1.00 0.00 C ATOM 1378 O ALA A 91 -2.471 -6.650 6.793 1.00 0.00 O ATOM 1379 CB ALA A 91 -3.376 -9.767 5.792 1.00 0.00 C ATOM 0 H ALA A 91 -1.067 -10.612 6.098 1.00 0.00 H new ATOM 0 HA ALA A 91 -2.146 -8.249 4.876 1.00 0.00 H new ATOM 0 HB1 ALA A 91 -4.295 -9.190 5.687 1.00 0.00 H new ATOM 0 HB2 ALA A 91 -3.284 -10.457 4.953 1.00 0.00 H new ATOM 0 HB3 ALA A 91 -3.406 -10.331 6.724 1.00 0.00 H new ATOM 1385 N GLU A 92 -2.194 -8.327 8.188 1.00 0.00 N ATOM 1386 CA GLU A 92 -2.305 -7.419 9.366 1.00 0.00 C ATOM 1387 C GLU A 92 -1.181 -6.382 9.299 1.00 0.00 C ATOM 1388 O GLU A 92 -1.203 -5.382 9.989 1.00 0.00 O ATOM 1389 CB GLU A 92 -2.206 -8.245 10.666 1.00 0.00 C ATOM 1390 CG GLU A 92 -3.613 -8.675 11.125 1.00 0.00 C ATOM 1391 CD GLU A 92 -3.516 -9.914 12.021 1.00 0.00 C ATOM 1392 OE1 GLU A 92 -3.364 -10.999 11.484 1.00 0.00 O ATOM 1393 OE2 GLU A 92 -3.594 -9.755 13.228 1.00 0.00 O ATOM 0 H GLU A 92 -2.043 -9.311 8.408 1.00 0.00 H new ATOM 0 HA GLU A 92 -3.266 -6.905 9.356 1.00 0.00 H new ATOM 0 HB2 GLU A 92 -1.583 -9.124 10.501 1.00 0.00 H new ATOM 0 HB3 GLU A 92 -1.724 -7.655 11.446 1.00 0.00 H new ATOM 0 HG2 GLU A 92 -4.092 -7.860 11.668 1.00 0.00 H new ATOM 0 HG3 GLU A 92 -4.237 -8.891 10.258 1.00 0.00 H new ATOM 1400 N GLN A 93 -0.212 -6.601 8.455 1.00 0.00 N ATOM 1401 CA GLN A 93 0.891 -5.615 8.322 1.00 0.00 C ATOM 1402 C GLN A 93 0.335 -4.425 7.539 1.00 0.00 C ATOM 1403 O GLN A 93 0.591 -3.283 7.857 1.00 0.00 O ATOM 1404 CB GLN A 93 2.097 -6.315 7.623 1.00 0.00 C ATOM 1405 CG GLN A 93 2.359 -5.813 6.188 1.00 0.00 C ATOM 1406 CD GLN A 93 3.018 -4.439 6.241 1.00 0.00 C ATOM 1407 OE1 GLN A 93 2.893 -3.721 7.316 1.00 0.00 O flip ATOM 1408 NE2 GLN A 93 3.655 -4.018 5.296 1.00 0.00 N flip ATOM 0 H GLN A 93 -0.138 -7.421 7.852 1.00 0.00 H new ATOM 0 HA GLN A 93 1.258 -5.247 9.280 1.00 0.00 H new ATOM 0 HB2 GLN A 93 2.994 -6.159 8.223 1.00 0.00 H new ATOM 0 HB3 GLN A 93 1.916 -7.389 7.595 1.00 0.00 H new ATOM 0 HG2 GLN A 93 3.001 -6.516 5.657 1.00 0.00 H new ATOM 0 HG3 GLN A 93 1.422 -5.757 5.634 1.00 0.00 H new ATOM 0 HE21 GLN A 93 3.751 -4.584 4.453 1.00 0.00 H new ATOM 0 HE22 GLN A 93 4.093 -3.098 5.346 1.00 0.00 H new ATOM 1417 N LEU A 94 -0.458 -4.687 6.540 1.00 0.00 N ATOM 1418 CA LEU A 94 -1.057 -3.570 5.762 1.00 0.00 C ATOM 1419 C LEU A 94 -2.062 -2.825 6.646 1.00 0.00 C ATOM 1420 O LEU A 94 -2.105 -1.615 6.680 1.00 0.00 O ATOM 1421 CB LEU A 94 -1.780 -4.121 4.525 1.00 0.00 C ATOM 1422 CG LEU A 94 -2.499 -2.982 3.769 1.00 0.00 C ATOM 1423 CD1 LEU A 94 -1.498 -1.861 3.417 1.00 0.00 C ATOM 1424 CD2 LEU A 94 -3.166 -3.531 2.484 1.00 0.00 C ATOM 0 H LEU A 94 -0.717 -5.623 6.229 1.00 0.00 H new ATOM 0 HA LEU A 94 -0.268 -2.890 5.441 1.00 0.00 H new ATOM 0 HB2 LEU A 94 -1.063 -4.609 3.864 1.00 0.00 H new ATOM 0 HB3 LEU A 94 -2.503 -4.879 4.826 1.00 0.00 H new ATOM 0 HG LEU A 94 -3.274 -2.567 4.414 1.00 0.00 H new ATOM 0 HD11 LEU A 94 -2.017 -1.064 2.884 1.00 0.00 H new ATOM 0 HD12 LEU A 94 -1.062 -1.462 4.333 1.00 0.00 H new ATOM 0 HD13 LEU A 94 -0.707 -2.265 2.785 1.00 0.00 H new ATOM 0 HD21 LEU A 94 -3.670 -2.719 1.960 1.00 0.00 H new ATOM 0 HD22 LEU A 94 -2.405 -3.964 1.835 1.00 0.00 H new ATOM 0 HD23 LEU A 94 -3.894 -4.297 2.751 1.00 0.00 H new ATOM 1436 N LYS A 95 -2.886 -3.544 7.349 1.00 0.00 N ATOM 1437 CA LYS A 95 -3.902 -2.885 8.217 1.00 0.00 C ATOM 1438 C LYS A 95 -3.219 -1.898 9.171 1.00 0.00 C ATOM 1439 O LYS A 95 -3.418 -0.695 9.098 1.00 0.00 O ATOM 1440 CB LYS A 95 -4.632 -3.959 9.030 1.00 0.00 C ATOM 1441 CG LYS A 95 -5.558 -4.779 8.108 1.00 0.00 C ATOM 1442 CD LYS A 95 -5.839 -6.188 8.717 1.00 0.00 C ATOM 1443 CE LYS A 95 -7.344 -6.493 8.689 1.00 0.00 C ATOM 1444 NZ LYS A 95 -7.578 -7.884 9.171 1.00 0.00 N ATOM 0 H LYS A 95 -2.902 -4.564 7.362 1.00 0.00 H new ATOM 0 HA LYS A 95 -4.612 -2.340 7.595 1.00 0.00 H new ATOM 0 HB2 LYS A 95 -3.909 -4.617 9.511 1.00 0.00 H new ATOM 0 HB3 LYS A 95 -5.216 -3.492 9.824 1.00 0.00 H new ATOM 0 HG2 LYS A 95 -6.498 -4.247 7.962 1.00 0.00 H new ATOM 0 HG3 LYS A 95 -5.098 -4.887 7.126 1.00 0.00 H new ATOM 0 HD2 LYS A 95 -5.297 -6.949 8.155 1.00 0.00 H new ATOM 0 HD3 LYS A 95 -5.472 -6.228 9.743 1.00 0.00 H new ATOM 0 HE2 LYS A 95 -7.881 -5.783 9.318 1.00 0.00 H new ATOM 0 HE3 LYS A 95 -7.731 -6.378 7.676 1.00 0.00 H new ATOM 0 HZ1 LYS A 95 -8.057 -8.433 8.429 1.00 0.00 H new ATOM 0 HZ2 LYS A 95 -6.667 -8.331 9.398 1.00 0.00 H new ATOM 0 HZ3 LYS A 95 -8.174 -7.861 10.023 1.00 0.00 H new ATOM 1458 N THR A 96 -2.432 -2.396 10.081 1.00 0.00 N ATOM 1459 CA THR A 96 -1.761 -1.492 11.052 1.00 0.00 C ATOM 1460 C THR A 96 -0.759 -0.576 10.336 1.00 0.00 C ATOM 1461 O THR A 96 -0.436 0.485 10.832 1.00 0.00 O ATOM 1462 CB THR A 96 -1.043 -2.326 12.122 1.00 0.00 C ATOM 1463 OG1 THR A 96 -1.827 -3.470 12.429 1.00 0.00 O ATOM 1464 CG2 THR A 96 -0.850 -1.488 13.391 1.00 0.00 C ATOM 0 H THR A 96 -2.225 -3.388 10.194 1.00 0.00 H new ATOM 0 HA THR A 96 -2.516 -0.867 11.529 1.00 0.00 H new ATOM 0 HB THR A 96 -0.069 -2.636 11.744 1.00 0.00 H new ATOM 0 HG1 THR A 96 -1.371 -4.006 13.111 1.00 0.00 H new ATOM 0 HG21 THR A 96 -0.340 -2.085 14.147 1.00 0.00 H new ATOM 0 HG22 THR A 96 -0.250 -0.608 13.158 1.00 0.00 H new ATOM 0 HG23 THR A 96 -1.822 -1.174 13.771 1.00 0.00 H new ATOM 1472 N THR A 97 -0.262 -0.954 9.178 1.00 0.00 N ATOM 1473 CA THR A 97 0.711 -0.054 8.478 1.00 0.00 C ATOM 1474 C THR A 97 0.106 1.350 8.429 1.00 0.00 C ATOM 1475 O THR A 97 0.676 2.289 8.919 1.00 0.00 O ATOM 1476 CB THR A 97 0.992 -0.552 7.048 1.00 0.00 C ATOM 1477 OG1 THR A 97 1.978 -1.565 7.097 1.00 0.00 O ATOM 1478 CG2 THR A 97 1.510 0.591 6.160 1.00 0.00 C ATOM 0 H THR A 97 -0.482 -1.826 8.698 1.00 0.00 H new ATOM 0 HA THR A 97 1.657 -0.048 9.019 1.00 0.00 H new ATOM 0 HB THR A 97 0.062 -0.935 6.627 1.00 0.00 H new ATOM 0 HG1 THR A 97 1.544 -2.443 7.125 1.00 0.00 H new ATOM 0 HG21 THR A 97 1.701 0.213 5.155 1.00 0.00 H new ATOM 0 HG22 THR A 97 0.763 1.383 6.114 1.00 0.00 H new ATOM 0 HG23 THR A 97 2.434 0.988 6.580 1.00 0.00 H new ATOM 1486 N ILE A 98 -1.048 1.484 7.840 1.00 0.00 N ATOM 1487 CA ILE A 98 -1.713 2.812 7.763 1.00 0.00 C ATOM 1488 C ILE A 98 -1.875 3.380 9.178 1.00 0.00 C ATOM 1489 O ILE A 98 -1.441 4.474 9.466 1.00 0.00 O ATOM 1490 CB ILE A 98 -3.086 2.616 7.074 1.00 0.00 C ATOM 1491 CG1 ILE A 98 -2.905 2.506 5.525 1.00 0.00 C ATOM 1492 CG2 ILE A 98 -4.050 3.760 7.417 1.00 0.00 C ATOM 1493 CD1 ILE A 98 -3.034 1.047 5.080 1.00 0.00 C ATOM 0 H ILE A 98 -1.564 0.720 7.404 1.00 0.00 H new ATOM 0 HA ILE A 98 -1.119 3.520 7.185 1.00 0.00 H new ATOM 0 HB ILE A 98 -3.519 1.688 7.447 1.00 0.00 H new ATOM 0 HG12 ILE A 98 -3.654 3.116 5.020 1.00 0.00 H new ATOM 0 HG13 ILE A 98 -1.929 2.897 5.237 1.00 0.00 H new ATOM 0 HG21 ILE A 98 -5.005 3.593 6.918 1.00 0.00 H new ATOM 0 HG22 ILE A 98 -4.205 3.794 8.495 1.00 0.00 H new ATOM 0 HG23 ILE A 98 -3.626 4.706 7.081 1.00 0.00 H new ATOM 0 HD11 ILE A 98 -2.906 0.984 3.999 1.00 0.00 H new ATOM 0 HD12 ILE A 98 -2.268 0.447 5.572 1.00 0.00 H new ATOM 0 HD13 ILE A 98 -4.020 0.670 5.351 1.00 0.00 H new ATOM 1505 N ARG A 99 -2.500 2.661 10.062 1.00 0.00 N ATOM 1506 CA ARG A 99 -2.688 3.196 11.433 1.00 0.00 C ATOM 1507 C ARG A 99 -1.328 3.514 12.083 1.00 0.00 C ATOM 1508 O ARG A 99 -1.122 4.594 12.603 1.00 0.00 O ATOM 1509 CB ARG A 99 -3.446 2.137 12.255 1.00 0.00 C ATOM 1510 CG ARG A 99 -4.373 2.784 13.322 1.00 0.00 C ATOM 1511 CD ARG A 99 -3.796 2.608 14.735 1.00 0.00 C ATOM 1512 NE ARG A 99 -2.459 3.260 14.822 1.00 0.00 N ATOM 1513 CZ ARG A 99 -1.950 3.550 15.989 1.00 0.00 C ATOM 1514 NH1 ARG A 99 -2.614 3.272 17.078 1.00 0.00 N ATOM 1515 NH2 ARG A 99 -0.778 4.119 16.067 1.00 0.00 N ATOM 0 H ARG A 99 -2.887 1.732 9.896 1.00 0.00 H new ATOM 0 HA ARG A 99 -3.258 4.124 11.398 1.00 0.00 H new ATOM 0 HB2 ARG A 99 -4.041 1.516 11.586 1.00 0.00 H new ATOM 0 HB3 ARG A 99 -2.730 1.479 12.747 1.00 0.00 H new ATOM 0 HG2 ARG A 99 -4.496 3.845 13.106 1.00 0.00 H new ATOM 0 HG3 ARG A 99 -5.363 2.331 13.271 1.00 0.00 H new ATOM 0 HD2 ARG A 99 -4.472 3.045 15.470 1.00 0.00 H new ATOM 0 HD3 ARG A 99 -3.709 1.548 14.972 1.00 0.00 H new ATOM 0 HE ARG A 99 -1.942 3.480 13.971 1.00 0.00 H new ATOM 0 HH11 ARG A 99 -3.530 2.828 17.017 1.00 0.00 H new ATOM 0 HH12 ARG A 99 -2.216 3.499 17.990 1.00 0.00 H new ATOM 0 HH21 ARG A 99 -0.259 4.337 15.216 1.00 0.00 H new ATOM 0 HH22 ARG A 99 -0.381 4.345 16.979 1.00 0.00 H new ATOM 1529 N ALA A 100 -0.404 2.588 12.071 1.00 0.00 N ATOM 1530 CA ALA A 100 0.930 2.852 12.708 1.00 0.00 C ATOM 1531 C ALA A 100 1.619 4.018 11.994 1.00 0.00 C ATOM 1532 O ALA A 100 2.360 4.779 12.583 1.00 0.00 O ATOM 1533 CB ALA A 100 1.807 1.599 12.608 1.00 0.00 C ATOM 0 H ALA A 100 -0.510 1.664 11.651 1.00 0.00 H new ATOM 0 HA ALA A 100 0.783 3.106 13.758 1.00 0.00 H new ATOM 0 HB1 ALA A 100 2.774 1.794 13.071 1.00 0.00 H new ATOM 0 HB2 ALA A 100 1.319 0.771 13.122 1.00 0.00 H new ATOM 0 HB3 ALA A 100 1.953 1.340 11.559 1.00 0.00 H new ATOM 1539 N TYR A 101 1.359 4.160 10.731 1.00 0.00 N ATOM 1540 CA TYR A 101 1.963 5.267 9.940 1.00 0.00 C ATOM 1541 C TYR A 101 1.276 6.559 10.370 1.00 0.00 C ATOM 1542 O TYR A 101 1.590 7.623 9.885 1.00 0.00 O ATOM 1543 CB TYR A 101 1.696 5.009 8.437 1.00 0.00 C ATOM 1544 CG TYR A 101 2.738 4.084 7.827 1.00 0.00 C ATOM 1545 CD1 TYR A 101 3.411 3.144 8.620 1.00 0.00 C ATOM 1546 CD2 TYR A 101 3.032 4.170 6.451 1.00 0.00 C ATOM 1547 CE1 TYR A 101 4.373 2.301 8.048 1.00 0.00 C ATOM 1548 CE2 TYR A 101 3.993 3.322 5.884 1.00 0.00 C ATOM 1549 CZ TYR A 101 4.665 2.391 6.683 1.00 0.00 C ATOM 1550 OH TYR A 101 5.613 1.561 6.124 1.00 0.00 O ATOM 0 H TYR A 101 0.742 3.545 10.200 1.00 0.00 H new ATOM 0 HA TYR A 101 3.038 5.333 10.105 1.00 0.00 H new ATOM 0 HB2 TYR A 101 0.705 4.571 8.314 1.00 0.00 H new ATOM 0 HB3 TYR A 101 1.694 5.958 7.900 1.00 0.00 H new ATOM 0 HD1 TYR A 101 3.188 3.069 9.674 1.00 0.00 H new ATOM 0 HD2 TYR A 101 2.516 4.890 5.833 1.00 0.00 H new ATOM 0 HE1 TYR A 101 4.891 1.580 8.663 1.00 0.00 H new ATOM 0 HE2 TYR A 101 4.215 3.387 4.829 1.00 0.00 H new ATOM 0 HH TYR A 101 5.693 1.754 5.166 1.00 0.00 H new ATOM 1560 N ASN A 102 0.292 6.428 11.232 1.00 0.00 N ATOM 1561 CA ASN A 102 -0.529 7.589 11.699 1.00 0.00 C ATOM 1562 C ASN A 102 -1.660 7.681 10.700 1.00 0.00 C ATOM 1563 O ASN A 102 -1.746 8.622 9.937 1.00 0.00 O ATOM 1564 CB ASN A 102 0.262 8.909 11.712 1.00 0.00 C ATOM 1565 CG ASN A 102 -0.513 9.946 12.525 1.00 0.00 C ATOM 1566 OD1 ASN A 102 -0.227 10.168 13.684 1.00 0.00 O ATOM 1567 ND2 ASN A 102 -1.492 10.595 11.954 1.00 0.00 N ATOM 0 H ASN A 102 0.018 5.535 11.642 1.00 0.00 H new ATOM 0 HA ASN A 102 -0.864 7.437 12.725 1.00 0.00 H new ATOM 0 HB2 ASN A 102 1.249 8.752 12.146 1.00 0.00 H new ATOM 0 HB3 ASN A 102 0.415 9.266 10.694 1.00 0.00 H new ATOM 0 HD21 ASN A 102 -2.019 11.291 12.482 1.00 0.00 H new ATOM 0 HD22 ASN A 102 -1.730 10.406 10.980 1.00 0.00 H new ATOM 1574 N GLN A 103 -2.492 6.666 10.642 1.00 0.00 N ATOM 1575 CA GLN A 103 -3.559 6.643 9.631 1.00 0.00 C ATOM 1576 C GLN A 103 -2.905 7.020 8.304 1.00 0.00 C ATOM 1577 O GLN A 103 -3.243 7.994 7.659 1.00 0.00 O ATOM 1578 CB GLN A 103 -4.647 7.624 10.036 1.00 0.00 C ATOM 1579 CG GLN A 103 -5.733 6.895 10.839 1.00 0.00 C ATOM 1580 CD GLN A 103 -6.500 5.936 9.922 1.00 0.00 C ATOM 1581 OE1 GLN A 103 -6.123 5.794 8.679 1.00 0.00 O flip ATOM 1582 NE2 GLN A 103 -7.452 5.308 10.343 1.00 0.00 N flip ATOM 0 H GLN A 103 -2.465 5.856 11.261 1.00 0.00 H new ATOM 0 HA GLN A 103 -4.031 5.665 9.539 1.00 0.00 H new ATOM 0 HB2 GLN A 103 -4.219 8.429 10.633 1.00 0.00 H new ATOM 0 HB3 GLN A 103 -5.084 8.083 9.149 1.00 0.00 H new ATOM 0 HG2 GLN A 103 -5.280 6.342 11.662 1.00 0.00 H new ATOM 0 HG3 GLN A 103 -6.419 7.618 11.280 1.00 0.00 H new ATOM 0 HE21 GLN A 103 -7.747 5.418 11.313 1.00 0.00 H new ATOM 0 HE22 GLN A 103 -7.956 4.671 9.726 1.00 0.00 H new ATOM 1591 N LYS A 104 -1.941 6.226 7.938 1.00 0.00 N ATOM 1592 CA LYS A 104 -1.173 6.427 6.701 1.00 0.00 C ATOM 1593 C LYS A 104 -0.516 7.813 6.734 1.00 0.00 C ATOM 1594 O LYS A 104 0.645 7.924 7.076 1.00 0.00 O ATOM 1595 CB LYS A 104 -2.127 6.217 5.537 1.00 0.00 C ATOM 1596 CG LYS A 104 -1.543 6.761 4.235 1.00 0.00 C ATOM 1597 CD LYS A 104 -0.105 6.243 4.063 1.00 0.00 C ATOM 1598 CE LYS A 104 0.312 6.340 2.593 1.00 0.00 C ATOM 1599 NZ LYS A 104 1.799 6.277 2.495 1.00 0.00 N ATOM 0 H LYS A 104 -1.649 5.411 8.478 1.00 0.00 H new ATOM 0 HA LYS A 104 -0.355 5.715 6.591 1.00 0.00 H new ATOM 0 HB2 LYS A 104 -2.340 5.154 5.426 1.00 0.00 H new ATOM 0 HB3 LYS A 104 -3.075 6.712 5.747 1.00 0.00 H new ATOM 0 HG2 LYS A 104 -2.157 6.449 3.390 1.00 0.00 H new ATOM 0 HG3 LYS A 104 -1.549 7.851 4.248 1.00 0.00 H new ATOM 0 HD2 LYS A 104 0.577 6.825 4.683 1.00 0.00 H new ATOM 0 HD3 LYS A 104 -0.039 5.209 4.401 1.00 0.00 H new ATOM 0 HE2 LYS A 104 -0.136 5.527 2.022 1.00 0.00 H new ATOM 0 HE3 LYS A 104 -0.053 7.272 2.161 1.00 0.00 H new ATOM 0 HZ1 LYS A 104 2.084 6.343 1.497 1.00 0.00 H new ATOM 0 HZ2 LYS A 104 2.216 7.067 3.027 1.00 0.00 H new ATOM 0 HZ3 LYS A 104 2.135 5.377 2.893 1.00 0.00 H new ATOM 1613 N TYR A 105 -1.217 8.867 6.422 1.00 0.00 N ATOM 1614 CA TYR A 105 -0.581 10.227 6.485 1.00 0.00 C ATOM 1615 C TYR A 105 -1.625 11.248 6.959 1.00 0.00 C ATOM 1616 O TYR A 105 -1.372 12.435 6.995 1.00 0.00 O ATOM 1617 CB TYR A 105 -0.019 10.624 5.093 1.00 0.00 C ATOM 1618 CG TYR A 105 1.494 10.772 5.145 1.00 0.00 C ATOM 1619 CD1 TYR A 105 2.310 9.636 5.204 1.00 0.00 C ATOM 1620 CD2 TYR A 105 2.073 12.048 5.137 1.00 0.00 C ATOM 1621 CE1 TYR A 105 3.700 9.775 5.253 1.00 0.00 C ATOM 1622 CE2 TYR A 105 3.465 12.186 5.187 1.00 0.00 C ATOM 1623 CZ TYR A 105 4.279 11.049 5.244 1.00 0.00 C ATOM 1624 OH TYR A 105 5.651 11.185 5.294 1.00 0.00 O ATOM 0 H TYR A 105 -2.194 8.854 6.128 1.00 0.00 H new ATOM 0 HA TYR A 105 0.250 10.209 7.191 1.00 0.00 H new ATOM 0 HB2 TYR A 105 -0.290 9.867 4.357 1.00 0.00 H new ATOM 0 HB3 TYR A 105 -0.470 11.561 4.767 1.00 0.00 H new ATOM 0 HD1 TYR A 105 1.865 8.652 5.212 1.00 0.00 H new ATOM 0 HD2 TYR A 105 1.445 12.925 5.092 1.00 0.00 H new ATOM 0 HE1 TYR A 105 4.328 8.898 5.298 1.00 0.00 H new ATOM 0 HE2 TYR A 105 3.911 13.170 5.182 1.00 0.00 H new ATOM 0 HH TYR A 105 5.886 12.136 5.279 1.00 0.00 H new ATOM 1634 N GLY A 106 -2.794 10.796 7.320 1.00 0.00 N ATOM 1635 CA GLY A 106 -3.844 11.743 7.787 1.00 0.00 C ATOM 1636 C GLY A 106 -3.560 12.151 9.233 1.00 0.00 C ATOM 1637 O GLY A 106 -3.041 11.327 9.968 1.00 0.00 O ATOM 1638 OXT GLY A 106 -3.868 13.278 9.581 1.00 0.00 O ATOM 0 H GLY A 106 -3.067 9.813 7.312 1.00 0.00 H new ATOM 0 HA2 GLY A 106 -3.863 12.625 7.147 1.00 0.00 H new ATOM 0 HA3 GLY A 106 -4.826 11.276 7.716 1.00 0.00 H new TER 1642 GLY A 106