USER MOD reduce.3.24.130724 H: found=0, std=0, add=966, rem=0, adj=31 USER MOD reduce.3.24.130724 removed 967 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 116 SER OG : rot 145:sc= 1.26 USER MOD Set 1.2: A 118 ASN : amide:sc= 0.869 K(o=2.1,f=0.96) USER MOD Set 2.1: A 81 ASN : amide:sc= -5.13! C(o=-3.4!,f=-4.1!) USER MOD Set 2.2: A 83 SER OG : rot -94:sc= 1.71 USER MOD Set 3.1: A 71 THR OG1 : rot -99:sc= 0.965 USER MOD Set 3.2: A 78 LYS NZ :NH3+ -172:sc= 1.35 (180deg=0.477) USER MOD Set 4.1: A 63 SER OG : rot 180:sc=-0.00135 USER MOD Set 4.2: A 105 SER OG : rot 180:sc= 0 USER MOD Set 5.1: A 16 LYS NZ :NH3+ -174:sc= 2.67 (180deg=1.37) USER MOD Set 5.2: A 45 GLN : amide:sc= 0.826 K(o=3.5,f=-5.9) USER MOD Set 6.1: A 22 GLN : amide:sc= -3.9! C(o=-6.4!,f=-4.2!) USER MOD Set 6.2: A 62 ASN : amide:sc= -2.5! K(o=-6.4!,f=-0.56) USER MOD Set 7.1: A 19 HIS : no HD1:sc= 1.09 K(o=2.4,f=-5.7!) USER MOD Set 7.2: A 21 SER OG : rot -18:sc= 1.27 USER MOD Single : A 8 GLN : amide:sc= 0 K(o=0,f=-0.82) USER MOD Single : A 12 SER OG : rot 180:sc= 0 USER MOD Single : A 13 HIS : no HE2:sc= 0.974 K(o=0.97,f=-4.7!) USER MOD Single : A 24 SER OG : rot 180:sc= 0 USER MOD Single : A 25 ASN : amide:sc= -3! K(o=-3!,f=-0.52) USER MOD Single : A 26 THR OG1 : rot 180:sc= -0.133 USER MOD Single : A 37 LYS NZ :NH3+ -108:sc= 0.054 (180deg=0) USER MOD Single : A 40 THR OG1 : rot 180:sc= 0.00034 USER MOD Single : A 42 MET CE :methyl -151:sc= -1.31 (180deg=-2.72!) USER MOD Single : A 47 GLN : amide:sc=-0.00285 X(o=-0.0029,f=-0.31) USER MOD Single : A 56 SER OG : rot -91:sc= 1.28 USER MOD Single : A 58 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 60 LYS NZ :NH3+ 165:sc= 0.0564 (180deg=-0.113) USER MOD Single : A 61 TYR OH : rot 180:sc= 0 USER MOD Single : A 70 TYR OH : rot 180:sc= -1.47 USER MOD Single : A 75 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 76 ASN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 84 THR OG1 : rot 180:sc= -0.447 USER MOD Single : A 86 ASN : amide:sc= -0.666 K(o=-0.67,f=-4.2!) USER MOD Single : A 87 SER OG : rot 180:sc= 0.0119 USER MOD Single : A 91 LYS NZ :NH3+ -117:sc= 0.325 (180deg=0.0243) USER MOD Single : A 93 THR OG1 : rot 94:sc= 0.681 USER MOD Single : A 96 THR OG1 : rot 145:sc= 0.415 USER MOD Single : A 98 ASN : amide:sc= 0.333 X(o=0.33,f=0) USER MOD Single : A 100 SER OG : rot 18:sc= 1.12 USER MOD Single : A 108 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 110 THR OG1 : rot 170:sc=-0.00849 USER MOD Single : A 113 SER OG : rot 180:sc= 0 USER MOD Single : A 115 ASN : amide:sc= -2.27! K(o=-2.3!,f=-0.74) USER MOD Single : A 123 GLN : amide:sc= -5.48! K(o=-5.5!,f=-4.1) USER MOD Single : A 124 LYS NZ :NH3+ -170:sc= 0 (180deg=-0.0767) USER MOD Single : A 127 TYR OH : rot 180:sc= 0 USER MOD Single : A 128 HIS : no HE2:sc= 0.799 K(o=0.8,f=-5.9!) USER MOD Single : A 130 THR OG1 : rot 180:sc= 0 USER MOD ----------------------------------------------------------------- ATOM 46 N LEU A 4 16.084 -10.455 -3.089 1.00 0.00 N ATOM 47 CA LEU A 4 16.896 -9.960 -4.162 1.00 0.00 C ATOM 48 C LEU A 4 17.516 -8.623 -3.730 1.00 0.00 C ATOM 49 O LEU A 4 17.575 -8.326 -2.514 1.00 0.00 O ATOM 50 CB LEU A 4 16.056 -9.856 -5.471 1.00 0.00 C ATOM 51 CG LEU A 4 15.658 -11.196 -6.151 1.00 0.00 C ATOM 52 CD1 LEU A 4 14.711 -12.031 -5.280 1.00 0.00 C ATOM 53 CD2 LEU A 4 15.029 -10.939 -7.506 1.00 0.00 C ATOM 0 HA LEU A 4 17.712 -10.648 -4.383 1.00 0.00 H new ATOM 0 HB2 LEU A 4 15.144 -9.303 -5.247 1.00 0.00 H new ATOM 0 HB3 LEU A 4 16.619 -9.263 -6.191 1.00 0.00 H new ATOM 0 HG LEU A 4 16.575 -11.771 -6.283 1.00 0.00 H new ATOM 0 HD11 LEU A 4 14.462 -12.957 -5.798 1.00 0.00 H new ATOM 0 HD12 LEU A 4 15.198 -12.264 -4.333 1.00 0.00 H new ATOM 0 HD13 LEU A 4 13.799 -11.466 -5.089 1.00 0.00 H new ATOM 0 HD21 LEU A 4 14.757 -11.889 -7.967 1.00 0.00 H new ATOM 0 HD22 LEU A 4 14.136 -10.327 -7.382 1.00 0.00 H new ATOM 0 HD23 LEU A 4 15.741 -10.417 -8.145 1.00 0.00 H new ATOM 65 N GLU A 5 17.970 -7.834 -4.660 1.00 0.00 N ATOM 66 CA GLU A 5 18.669 -6.603 -4.330 1.00 0.00 C ATOM 67 C GLU A 5 17.845 -5.375 -4.688 1.00 0.00 C ATOM 68 O GLU A 5 16.937 -5.434 -5.531 1.00 0.00 O ATOM 69 CB GLU A 5 19.993 -6.563 -5.066 1.00 0.00 C ATOM 70 CG GLU A 5 20.917 -7.720 -4.739 1.00 0.00 C ATOM 71 CD GLU A 5 22.080 -7.779 -5.675 1.00 0.00 C ATOM 72 OE1 GLU A 5 23.058 -7.029 -5.488 1.00 0.00 O ATOM 73 OE2 GLU A 5 22.030 -8.565 -6.643 1.00 0.00 O ATOM 0 H GLU A 5 17.874 -8.013 -5.660 1.00 0.00 H new ATOM 0 HA GLU A 5 18.838 -6.588 -3.253 1.00 0.00 H new ATOM 0 HB2 GLU A 5 19.800 -6.558 -6.139 1.00 0.00 H new ATOM 0 HB3 GLU A 5 20.501 -5.628 -4.829 1.00 0.00 H new ATOM 0 HG2 GLU A 5 21.278 -7.619 -3.716 1.00 0.00 H new ATOM 0 HG3 GLU A 5 20.361 -8.656 -4.790 1.00 0.00 H new ATOM 80 N CYS A 6 18.126 -4.297 -4.002 1.00 0.00 N ATOM 81 CA CYS A 6 17.506 -3.012 -4.231 1.00 0.00 C ATOM 82 C CYS A 6 18.565 -1.918 -3.995 1.00 0.00 C ATOM 83 O CYS A 6 19.662 -2.241 -3.515 1.00 0.00 O ATOM 84 CB CYS A 6 16.313 -2.851 -3.282 1.00 0.00 C ATOM 85 SG CYS A 6 16.721 -3.041 -1.518 1.00 0.00 S ATOM 0 H CYS A 6 18.811 -4.286 -3.247 1.00 0.00 H new ATOM 0 HA CYS A 6 17.135 -2.931 -5.253 1.00 0.00 H new ATOM 0 HB2 CYS A 6 15.873 -1.866 -3.436 1.00 0.00 H new ATOM 0 HB3 CYS A 6 15.552 -3.585 -3.547 1.00 0.00 H new ATOM 90 N PRO A 7 18.299 -0.629 -4.360 1.00 0.00 N ATOM 91 CA PRO A 7 19.221 0.487 -4.052 1.00 0.00 C ATOM 92 C PRO A 7 19.489 0.618 -2.532 1.00 0.00 C ATOM 93 O PRO A 7 18.703 0.131 -1.702 1.00 0.00 O ATOM 94 CB PRO A 7 18.484 1.716 -4.578 1.00 0.00 C ATOM 95 CG PRO A 7 17.576 1.189 -5.627 1.00 0.00 C ATOM 96 CD PRO A 7 17.138 -0.158 -5.145 1.00 0.00 C ATOM 0 HA PRO A 7 20.203 0.344 -4.503 1.00 0.00 H new ATOM 0 HB2 PRO A 7 17.926 2.213 -3.784 1.00 0.00 H new ATOM 0 HB3 PRO A 7 19.179 2.450 -4.987 1.00 0.00 H new ATOM 0 HG2 PRO A 7 16.721 1.850 -5.773 1.00 0.00 H new ATOM 0 HG3 PRO A 7 18.088 1.114 -6.586 1.00 0.00 H new ATOM 0 HD2 PRO A 7 16.238 -0.094 -4.534 1.00 0.00 H new ATOM 0 HD3 PRO A 7 16.913 -0.829 -5.974 1.00 0.00 H new ATOM 104 N GLN A 8 20.566 1.300 -2.180 1.00 0.00 N ATOM 105 CA GLN A 8 21.040 1.362 -0.794 1.00 0.00 C ATOM 106 C GLN A 8 20.095 2.105 0.162 1.00 0.00 C ATOM 107 O GLN A 8 19.961 1.723 1.322 1.00 0.00 O ATOM 108 CB GLN A 8 22.456 1.945 -0.723 1.00 0.00 C ATOM 109 CG GLN A 8 22.578 3.390 -1.183 1.00 0.00 C ATOM 110 CD GLN A 8 24.006 3.872 -1.200 1.00 0.00 C ATOM 111 OE1 GLN A 8 24.935 3.100 -1.434 1.00 0.00 O ATOM 112 NE2 GLN A 8 24.201 5.127 -0.945 1.00 0.00 N ATOM 0 H GLN A 8 21.139 1.827 -2.839 1.00 0.00 H new ATOM 0 HA GLN A 8 21.059 0.329 -0.446 1.00 0.00 H new ATOM 0 HB2 GLN A 8 22.811 1.875 0.305 1.00 0.00 H new ATOM 0 HB3 GLN A 8 23.118 1.328 -1.331 1.00 0.00 H new ATOM 0 HG2 GLN A 8 22.153 3.487 -2.182 1.00 0.00 H new ATOM 0 HG3 GLN A 8 21.990 4.029 -0.524 1.00 0.00 H new ATOM 0 HE21 GLN A 8 23.407 5.738 -0.755 1.00 0.00 H new ATOM 0 HE22 GLN A 8 25.149 5.504 -0.934 1.00 0.00 H new ATOM 121 N ASP A 9 19.405 3.124 -0.333 1.00 0.00 N ATOM 122 CA ASP A 9 18.527 3.943 0.530 1.00 0.00 C ATOM 123 C ASP A 9 17.171 3.296 0.734 1.00 0.00 C ATOM 124 O ASP A 9 16.276 3.858 1.390 1.00 0.00 O ATOM 125 CB ASP A 9 18.353 5.370 -0.009 1.00 0.00 C ATOM 126 CG ASP A 9 19.631 6.177 0.001 1.00 0.00 C ATOM 127 OD1 ASP A 9 20.082 6.603 1.086 1.00 0.00 O ATOM 128 OD2 ASP A 9 20.193 6.423 -1.084 1.00 0.00 O ATOM 0 H ASP A 9 19.427 3.410 -1.312 1.00 0.00 H new ATOM 0 HA ASP A 9 19.027 4.005 1.497 1.00 0.00 H new ATOM 0 HB2 ASP A 9 17.971 5.321 -1.029 1.00 0.00 H new ATOM 0 HB3 ASP A 9 17.601 5.887 0.588 1.00 0.00 H new ATOM 133 N TRP A 10 17.026 2.122 0.194 1.00 0.00 N ATOM 134 CA TRP A 10 15.813 1.370 0.302 1.00 0.00 C ATOM 135 C TRP A 10 15.899 0.407 1.469 1.00 0.00 C ATOM 136 O TRP A 10 16.996 0.034 1.906 1.00 0.00 O ATOM 137 CB TRP A 10 15.504 0.660 -1.009 1.00 0.00 C ATOM 138 CG TRP A 10 15.061 1.577 -2.106 1.00 0.00 C ATOM 139 CD1 TRP A 10 15.736 2.642 -2.623 1.00 0.00 C ATOM 140 CD2 TRP A 10 13.841 1.489 -2.834 1.00 0.00 C ATOM 141 NE1 TRP A 10 15.000 3.226 -3.617 1.00 0.00 N ATOM 142 CE2 TRP A 10 13.834 2.536 -3.767 1.00 0.00 C ATOM 143 CE3 TRP A 10 12.752 0.626 -2.783 1.00 0.00 C ATOM 144 CZ2 TRP A 10 12.775 2.739 -4.639 1.00 0.00 C ATOM 145 CZ3 TRP A 10 11.708 0.834 -3.649 1.00 0.00 C ATOM 146 CH2 TRP A 10 11.728 1.880 -4.563 1.00 0.00 C ATOM 0 H TRP A 10 17.758 1.654 -0.341 1.00 0.00 H new ATOM 0 HA TRP A 10 14.985 2.051 0.499 1.00 0.00 H new ATOM 0 HB2 TRP A 10 16.393 0.120 -1.337 1.00 0.00 H new ATOM 0 HB3 TRP A 10 14.726 -0.083 -0.834 1.00 0.00 H new ATOM 0 HD1 TRP A 10 16.710 2.976 -2.296 1.00 0.00 H new ATOM 0 HE1 TRP A 10 15.278 4.045 -4.158 1.00 0.00 H new ATOM 0 HE3 TRP A 10 12.728 -0.191 -2.077 1.00 0.00 H new ATOM 0 HZ2 TRP A 10 12.784 3.550 -5.352 1.00 0.00 H new ATOM 0 HZ3 TRP A 10 10.855 0.172 -3.619 1.00 0.00 H new ATOM 0 HH2 TRP A 10 10.889 2.013 -5.230 1.00 0.00 H new ATOM 157 N LEU A 11 14.768 0.026 1.960 1.00 0.00 N ATOM 158 CA LEU A 11 14.646 -0.754 3.161 1.00 0.00 C ATOM 159 C LEU A 11 14.192 -2.154 2.794 1.00 0.00 C ATOM 160 O LEU A 11 13.102 -2.347 2.299 1.00 0.00 O ATOM 161 CB LEU A 11 13.599 -0.063 3.994 1.00 0.00 C ATOM 162 CG LEU A 11 13.553 -0.312 5.477 1.00 0.00 C ATOM 163 CD1 LEU A 11 14.814 0.229 6.135 1.00 0.00 C ATOM 164 CD2 LEU A 11 12.313 0.367 6.041 1.00 0.00 C ATOM 0 H LEU A 11 13.872 0.252 1.529 1.00 0.00 H new ATOM 0 HA LEU A 11 15.588 -0.835 3.704 1.00 0.00 H new ATOM 0 HB2 LEU A 11 13.719 1.010 3.846 1.00 0.00 H new ATOM 0 HB3 LEU A 11 12.625 -0.334 3.586 1.00 0.00 H new ATOM 0 HG LEU A 11 13.504 -1.382 5.679 1.00 0.00 H new ATOM 0 HD11 LEU A 11 14.772 0.044 7.208 1.00 0.00 H new ATOM 0 HD12 LEU A 11 15.687 -0.271 5.715 1.00 0.00 H new ATOM 0 HD13 LEU A 11 14.888 1.301 5.954 1.00 0.00 H new ATOM 0 HD21 LEU A 11 12.263 0.197 7.117 1.00 0.00 H new ATOM 0 HD22 LEU A 11 12.364 1.438 5.845 1.00 0.00 H new ATOM 0 HD23 LEU A 11 11.424 -0.047 5.566 1.00 0.00 H new ATOM 176 N SER A 12 15.000 -3.101 3.055 1.00 0.00 N ATOM 177 CA SER A 12 14.754 -4.447 2.612 1.00 0.00 C ATOM 178 C SER A 12 13.986 -5.286 3.660 1.00 0.00 C ATOM 179 O SER A 12 14.292 -5.251 4.866 1.00 0.00 O ATOM 180 CB SER A 12 16.087 -5.076 2.197 1.00 0.00 C ATOM 181 OG SER A 12 17.039 -5.056 3.260 1.00 0.00 O ATOM 0 H SER A 12 15.863 -2.983 3.585 1.00 0.00 H new ATOM 0 HA SER A 12 14.093 -4.426 1.745 1.00 0.00 H new ATOM 0 HB2 SER A 12 15.919 -6.105 1.879 1.00 0.00 H new ATOM 0 HB3 SER A 12 16.490 -4.539 1.338 1.00 0.00 H new ATOM 0 HG SER A 12 17.876 -5.467 2.958 1.00 0.00 H new ATOM 187 N HIS A 13 12.969 -6.020 3.206 1.00 0.00 N ATOM 188 CA HIS A 13 12.168 -6.834 4.098 1.00 0.00 C ATOM 189 C HIS A 13 11.705 -8.095 3.414 1.00 0.00 C ATOM 190 O HIS A 13 10.958 -8.025 2.442 1.00 0.00 O ATOM 191 CB HIS A 13 10.952 -6.050 4.608 1.00 0.00 C ATOM 192 CG HIS A 13 10.092 -6.801 5.594 1.00 0.00 C ATOM 193 ND1 HIS A 13 8.805 -7.224 5.328 1.00 0.00 N ATOM 194 CD2 HIS A 13 10.340 -7.175 6.866 1.00 0.00 C ATOM 195 CE1 HIS A 13 8.319 -7.817 6.389 1.00 0.00 C ATOM 196 NE2 HIS A 13 9.227 -7.799 7.329 1.00 0.00 N ATOM 0 H HIS A 13 12.687 -6.062 2.227 1.00 0.00 H new ATOM 0 HA HIS A 13 12.797 -7.106 4.946 1.00 0.00 H new ATOM 0 HB2 HIS A 13 11.300 -5.129 5.076 1.00 0.00 H new ATOM 0 HB3 HIS A 13 10.338 -5.762 3.755 1.00 0.00 H new ATOM 0 HD1 HIS A 13 8.311 -7.095 4.445 1.00 0.00 H new ATOM 0 HD2 HIS A 13 11.255 -7.009 7.415 1.00 0.00 H new ATOM 0 HE1 HIS A 13 7.333 -8.249 6.474 1.00 0.00 H new ATOM 205 N ARG A 14 12.149 -9.233 3.940 1.00 0.00 N ATOM 206 CA ARG A 14 11.763 -10.582 3.490 1.00 0.00 C ATOM 207 C ARG A 14 12.112 -10.850 2.017 1.00 0.00 C ATOM 208 O ARG A 14 13.143 -11.438 1.697 1.00 0.00 O ATOM 209 CB ARG A 14 10.251 -10.840 3.707 1.00 0.00 C ATOM 210 CG ARG A 14 9.738 -10.808 5.142 1.00 0.00 C ATOM 211 CD ARG A 14 10.259 -11.959 5.976 1.00 0.00 C ATOM 212 NE ARG A 14 9.543 -12.056 7.258 1.00 0.00 N ATOM 213 CZ ARG A 14 8.833 -13.132 7.657 1.00 0.00 C ATOM 214 NH1 ARG A 14 8.813 -14.237 6.914 1.00 0.00 N ATOM 215 NH2 ARG A 14 8.130 -13.096 8.782 1.00 0.00 N ATOM 0 H ARG A 14 12.809 -9.250 4.717 1.00 0.00 H new ATOM 0 HA ARG A 14 12.346 -11.269 4.103 1.00 0.00 H new ATOM 0 HB2 ARG A 14 9.696 -10.098 3.133 1.00 0.00 H new ATOM 0 HB3 ARG A 14 10.011 -11.815 3.284 1.00 0.00 H new ATOM 0 HG2 ARG A 14 10.031 -9.867 5.607 1.00 0.00 H new ATOM 0 HG3 ARG A 14 8.648 -10.835 5.134 1.00 0.00 H new ATOM 0 HD2 ARG A 14 10.147 -12.892 5.423 1.00 0.00 H new ATOM 0 HD3 ARG A 14 11.325 -11.824 6.161 1.00 0.00 H new ATOM 0 HE ARG A 14 9.586 -11.255 7.888 1.00 0.00 H new ATOM 0 HH11 ARG A 14 9.336 -14.273 6.039 1.00 0.00 H new ATOM 0 HH12 ARG A 14 8.275 -15.048 7.220 1.00 0.00 H new ATOM 0 HH21 ARG A 14 8.124 -12.250 9.352 1.00 0.00 H new ATOM 0 HH22 ARG A 14 7.596 -13.914 9.076 1.00 0.00 H new ATOM 229 N ASP A 15 11.255 -10.377 1.155 1.00 0.00 N ATOM 230 CA ASP A 15 11.285 -10.636 -0.265 1.00 0.00 C ATOM 231 C ASP A 15 10.848 -9.394 -1.042 1.00 0.00 C ATOM 232 O ASP A 15 10.486 -9.477 -2.201 1.00 0.00 O ATOM 233 CB ASP A 15 10.336 -11.818 -0.569 1.00 0.00 C ATOM 234 CG ASP A 15 8.890 -11.575 -0.184 1.00 0.00 C ATOM 235 OD1 ASP A 15 8.617 -11.253 0.997 1.00 0.00 O ATOM 236 OD2 ASP A 15 8.006 -11.681 -1.040 1.00 0.00 O ATOM 0 H ASP A 15 10.481 -9.773 1.432 1.00 0.00 H new ATOM 0 HA ASP A 15 12.300 -10.887 -0.572 1.00 0.00 H new ATOM 0 HB2 ASP A 15 10.383 -12.041 -1.635 1.00 0.00 H new ATOM 0 HB3 ASP A 15 10.696 -12.702 -0.042 1.00 0.00 H new ATOM 241 N LYS A 16 10.889 -8.228 -0.398 1.00 0.00 N ATOM 242 CA LYS A 16 10.618 -6.944 -1.070 1.00 0.00 C ATOM 243 C LYS A 16 11.536 -5.875 -0.497 1.00 0.00 C ATOM 244 O LYS A 16 12.199 -6.107 0.520 1.00 0.00 O ATOM 245 CB LYS A 16 9.141 -6.458 -0.965 1.00 0.00 C ATOM 246 CG LYS A 16 8.093 -7.265 -1.750 1.00 0.00 C ATOM 247 CD LYS A 16 7.674 -8.544 -1.066 1.00 0.00 C ATOM 248 CE LYS A 16 6.910 -8.308 0.211 1.00 0.00 C ATOM 249 NZ LYS A 16 6.603 -9.588 0.887 1.00 0.00 N ATOM 0 H LYS A 16 11.108 -8.140 0.594 1.00 0.00 H new ATOM 0 HA LYS A 16 10.807 -7.113 -2.130 1.00 0.00 H new ATOM 0 HB2 LYS A 16 8.855 -6.461 0.087 1.00 0.00 H new ATOM 0 HB3 LYS A 16 9.098 -5.423 -1.304 1.00 0.00 H new ATOM 0 HG2 LYS A 16 7.212 -6.643 -1.908 1.00 0.00 H new ATOM 0 HG3 LYS A 16 8.495 -7.505 -2.734 1.00 0.00 H new ATOM 0 HD2 LYS A 16 7.057 -9.129 -1.749 1.00 0.00 H new ATOM 0 HD3 LYS A 16 8.560 -9.139 -0.847 1.00 0.00 H new ATOM 0 HE2 LYS A 16 7.494 -7.672 0.876 1.00 0.00 H new ATOM 0 HE3 LYS A 16 5.984 -7.776 -0.008 1.00 0.00 H new ATOM 0 HZ1 LYS A 16 5.991 -9.409 1.708 1.00 0.00 H new ATOM 0 HZ2 LYS A 16 6.115 -10.223 0.223 1.00 0.00 H new ATOM 0 HZ3 LYS A 16 7.487 -10.033 1.205 1.00 0.00 H new ATOM 263 N CYS A 17 11.615 -4.738 -1.142 1.00 0.00 N ATOM 264 CA CYS A 17 12.427 -3.652 -0.624 1.00 0.00 C ATOM 265 C CYS A 17 11.628 -2.367 -0.742 1.00 0.00 C ATOM 266 O CYS A 17 11.078 -2.099 -1.783 1.00 0.00 O ATOM 267 CB CYS A 17 13.746 -3.574 -1.377 1.00 0.00 C ATOM 268 SG CYS A 17 15.001 -2.532 -0.585 1.00 0.00 S ATOM 0 H CYS A 17 11.134 -4.536 -2.019 1.00 0.00 H new ATOM 0 HA CYS A 17 12.673 -3.821 0.424 1.00 0.00 H new ATOM 0 HB2 CYS A 17 14.146 -4.582 -1.489 1.00 0.00 H new ATOM 0 HB3 CYS A 17 13.556 -3.193 -2.380 1.00 0.00 H new ATOM 273 N PHE A 18 11.584 -1.596 0.312 1.00 0.00 N ATOM 274 CA PHE A 18 10.660 -0.472 0.451 1.00 0.00 C ATOM 275 C PHE A 18 11.361 0.893 0.429 1.00 0.00 C ATOM 276 O PHE A 18 12.530 1.008 0.770 1.00 0.00 O ATOM 277 CB PHE A 18 9.924 -0.625 1.804 1.00 0.00 C ATOM 278 CG PHE A 18 9.237 -1.960 1.995 1.00 0.00 C ATOM 279 CD1 PHE A 18 8.606 -2.595 0.940 1.00 0.00 C ATOM 280 CD2 PHE A 18 9.245 -2.585 3.227 1.00 0.00 C ATOM 281 CE1 PHE A 18 8.006 -3.822 1.106 1.00 0.00 C ATOM 282 CE2 PHE A 18 8.637 -3.814 3.400 1.00 0.00 C ATOM 283 CZ PHE A 18 8.019 -4.434 2.333 1.00 0.00 C ATOM 0 H PHE A 18 12.195 -1.723 1.119 1.00 0.00 H new ATOM 0 HA PHE A 18 9.978 -0.496 -0.399 1.00 0.00 H new ATOM 0 HB2 PHE A 18 10.641 -0.480 2.612 1.00 0.00 H new ATOM 0 HB3 PHE A 18 9.181 0.168 1.891 1.00 0.00 H new ATOM 0 HD1 PHE A 18 8.584 -2.120 -0.030 1.00 0.00 H new ATOM 0 HD2 PHE A 18 9.732 -2.108 4.065 1.00 0.00 H new ATOM 0 HE1 PHE A 18 7.524 -4.304 0.268 1.00 0.00 H new ATOM 0 HE2 PHE A 18 8.645 -4.289 4.370 1.00 0.00 H new ATOM 0 HZ PHE A 18 7.548 -5.397 2.464 1.00 0.00 H new ATOM 293 N HIS A 19 10.629 1.906 -0.003 1.00 0.00 N ATOM 294 CA HIS A 19 11.053 3.298 0.048 1.00 0.00 C ATOM 295 C HIS A 19 9.873 4.110 0.545 1.00 0.00 C ATOM 296 O HIS A 19 8.864 4.214 -0.160 1.00 0.00 O ATOM 297 CB HIS A 19 11.455 3.877 -1.340 1.00 0.00 C ATOM 298 CG HIS A 19 12.074 5.243 -1.238 1.00 0.00 C ATOM 299 ND1 HIS A 19 11.359 6.429 -1.324 1.00 0.00 N ATOM 300 CD2 HIS A 19 13.357 5.603 -1.022 1.00 0.00 C ATOM 301 CE1 HIS A 19 12.188 7.439 -1.158 1.00 0.00 C ATOM 302 NE2 HIS A 19 13.393 6.963 -0.974 1.00 0.00 N ATOM 0 H HIS A 19 9.701 1.782 -0.409 1.00 0.00 H new ATOM 0 HA HIS A 19 11.929 3.350 0.695 1.00 0.00 H new ATOM 0 HB2 HIS A 19 12.158 3.198 -1.823 1.00 0.00 H new ATOM 0 HB3 HIS A 19 10.573 3.929 -1.978 1.00 0.00 H new ATOM 0 HD2 HIS A 19 14.199 4.936 -0.908 1.00 0.00 H new ATOM 0 HE1 HIS A 19 11.918 8.485 -1.171 1.00 0.00 H new ATOM 0 HE2 HIS A 19 14.230 7.524 -0.819 1.00 0.00 H new ATOM 311 N VAL A 20 9.978 4.668 1.718 1.00 0.00 N ATOM 312 CA VAL A 20 8.910 5.502 2.243 1.00 0.00 C ATOM 313 C VAL A 20 9.152 6.935 1.812 1.00 0.00 C ATOM 314 O VAL A 20 9.983 7.638 2.382 1.00 0.00 O ATOM 315 CB VAL A 20 8.794 5.424 3.790 1.00 0.00 C ATOM 316 CG1 VAL A 20 7.656 6.311 4.292 1.00 0.00 C ATOM 317 CG2 VAL A 20 8.576 3.985 4.236 1.00 0.00 C ATOM 0 H VAL A 20 10.785 4.567 2.334 1.00 0.00 H new ATOM 0 HA VAL A 20 7.967 5.133 1.840 1.00 0.00 H new ATOM 0 HB VAL A 20 9.728 5.785 4.220 1.00 0.00 H new ATOM 0 HG11 VAL A 20 7.592 6.241 5.378 1.00 0.00 H new ATOM 0 HG12 VAL A 20 7.847 7.345 4.005 1.00 0.00 H new ATOM 0 HG13 VAL A 20 6.715 5.980 3.852 1.00 0.00 H new ATOM 0 HG21 VAL A 20 8.497 3.949 5.323 1.00 0.00 H new ATOM 0 HG22 VAL A 20 7.657 3.602 3.792 1.00 0.00 H new ATOM 0 HG23 VAL A 20 9.418 3.372 3.913 1.00 0.00 H new ATOM 327 N SER A 21 8.496 7.322 0.766 1.00 0.00 N ATOM 328 CA SER A 21 8.638 8.626 0.216 1.00 0.00 C ATOM 329 C SER A 21 7.839 9.659 1.034 1.00 0.00 C ATOM 330 O SER A 21 6.618 9.655 1.011 1.00 0.00 O ATOM 331 CB SER A 21 8.196 8.583 -1.239 1.00 0.00 C ATOM 332 OG SER A 21 8.881 7.525 -1.935 1.00 0.00 O ATOM 0 H SER A 21 7.836 6.729 0.263 1.00 0.00 H new ATOM 0 HA SER A 21 9.681 8.941 0.261 1.00 0.00 H new ATOM 0 HB2 SER A 21 7.119 8.427 -1.295 1.00 0.00 H new ATOM 0 HB3 SER A 21 8.405 9.539 -1.719 1.00 0.00 H new ATOM 0 HG SER A 21 9.675 7.259 -1.426 1.00 0.00 H new ATOM 338 N GLN A 22 8.555 10.523 1.752 1.00 0.00 N ATOM 339 CA GLN A 22 7.972 11.593 2.601 1.00 0.00 C ATOM 340 C GLN A 22 7.497 12.830 1.854 1.00 0.00 C ATOM 341 O GLN A 22 7.205 13.866 2.456 1.00 0.00 O ATOM 342 CB GLN A 22 8.862 11.973 3.773 1.00 0.00 C ATOM 343 CG GLN A 22 8.567 11.193 5.034 1.00 0.00 C ATOM 344 CD GLN A 22 7.149 11.482 5.534 1.00 0.00 C ATOM 345 OE1 GLN A 22 6.593 12.558 5.303 1.00 0.00 O ATOM 346 NE2 GLN A 22 6.570 10.564 6.236 1.00 0.00 N ATOM 0 H GLN A 22 9.575 10.510 1.769 1.00 0.00 H new ATOM 0 HA GLN A 22 7.069 11.128 2.997 1.00 0.00 H new ATOM 0 HB2 GLN A 22 9.904 11.815 3.494 1.00 0.00 H new ATOM 0 HB3 GLN A 22 8.744 13.037 3.978 1.00 0.00 H new ATOM 0 HG2 GLN A 22 8.679 10.126 4.841 1.00 0.00 H new ATOM 0 HG3 GLN A 22 9.290 11.455 5.806 1.00 0.00 H new ATOM 0 HE21 GLN A 22 7.048 9.681 6.415 1.00 0.00 H new ATOM 0 HE22 GLN A 22 5.635 10.723 6.611 1.00 0.00 H new ATOM 355 N VAL A 23 7.373 12.713 0.593 1.00 0.00 N ATOM 356 CA VAL A 23 6.932 13.812 -0.226 1.00 0.00 C ATOM 357 C VAL A 23 5.553 13.493 -0.719 1.00 0.00 C ATOM 358 O VAL A 23 5.190 12.330 -0.763 1.00 0.00 O ATOM 359 CB VAL A 23 7.911 14.145 -1.386 1.00 0.00 C ATOM 360 CG1 VAL A 23 9.153 14.816 -0.831 1.00 0.00 C ATOM 361 CG2 VAL A 23 8.311 12.892 -2.147 1.00 0.00 C ATOM 0 H VAL A 23 7.571 11.855 0.078 1.00 0.00 H new ATOM 0 HA VAL A 23 6.913 14.720 0.377 1.00 0.00 H new ATOM 0 HB VAL A 23 7.401 14.818 -2.076 1.00 0.00 H new ATOM 0 HG11 VAL A 23 9.837 15.048 -1.647 1.00 0.00 H new ATOM 0 HG12 VAL A 23 8.872 15.737 -0.321 1.00 0.00 H new ATOM 0 HG13 VAL A 23 9.644 14.146 -0.126 1.00 0.00 H new ATOM 0 HG21 VAL A 23 8.996 13.158 -2.952 1.00 0.00 H new ATOM 0 HG22 VAL A 23 8.802 12.195 -1.468 1.00 0.00 H new ATOM 0 HG23 VAL A 23 7.422 12.422 -2.568 1.00 0.00 H new ATOM 371 N SER A 24 4.774 14.485 -1.043 1.00 0.00 N ATOM 372 CA SER A 24 3.394 14.227 -1.397 1.00 0.00 C ATOM 373 C SER A 24 3.139 14.240 -2.910 1.00 0.00 C ATOM 374 O SER A 24 3.773 14.981 -3.655 1.00 0.00 O ATOM 375 CB SER A 24 2.474 15.179 -0.650 1.00 0.00 C ATOM 376 OG SER A 24 2.740 15.121 0.758 1.00 0.00 O ATOM 0 H SER A 24 5.056 15.465 -1.072 1.00 0.00 H new ATOM 0 HA SER A 24 3.166 13.208 -1.084 1.00 0.00 H new ATOM 0 HB2 SER A 24 2.619 16.196 -1.013 1.00 0.00 H new ATOM 0 HB3 SER A 24 1.434 14.917 -0.842 1.00 0.00 H new ATOM 0 HG SER A 24 2.143 15.739 1.229 1.00 0.00 H new ATOM 382 N ASN A 25 2.197 13.415 -3.310 1.00 0.00 N ATOM 383 CA ASN A 25 1.778 13.161 -4.684 1.00 0.00 C ATOM 384 C ASN A 25 0.366 12.640 -4.654 1.00 0.00 C ATOM 385 O ASN A 25 -0.201 12.402 -3.571 1.00 0.00 O ATOM 386 CB ASN A 25 2.611 12.027 -5.317 1.00 0.00 C ATOM 387 CG ASN A 25 3.871 12.406 -6.074 1.00 0.00 C ATOM 388 OD1 ASN A 25 4.507 13.431 -5.855 1.00 0.00 O ATOM 389 ND2 ASN A 25 4.257 11.522 -6.952 1.00 0.00 N ATOM 0 H ASN A 25 1.661 12.861 -2.641 1.00 0.00 H new ATOM 0 HA ASN A 25 1.891 14.087 -5.247 1.00 0.00 H new ATOM 0 HB2 ASN A 25 2.894 11.337 -4.522 1.00 0.00 H new ATOM 0 HB3 ASN A 25 1.963 11.478 -6.000 1.00 0.00 H new ATOM 0 HD21 ASN A 25 5.114 11.672 -7.484 1.00 0.00 H new ATOM 0 HD22 ASN A 25 3.701 10.681 -7.107 1.00 0.00 H new ATOM 396 N THR A 26 -0.193 12.446 -5.816 1.00 0.00 N ATOM 397 CA THR A 26 -1.436 11.744 -5.943 1.00 0.00 C ATOM 398 C THR A 26 -1.102 10.250 -6.111 1.00 0.00 C ATOM 399 O THR A 26 0.063 9.909 -6.403 1.00 0.00 O ATOM 400 CB THR A 26 -2.279 12.277 -7.129 1.00 0.00 C ATOM 401 OG1 THR A 26 -1.480 12.330 -8.316 1.00 0.00 O ATOM 402 CG2 THR A 26 -2.824 13.661 -6.828 1.00 0.00 C ATOM 0 H THR A 26 0.201 12.770 -6.699 1.00 0.00 H new ATOM 0 HA THR A 26 -2.047 11.898 -5.054 1.00 0.00 H new ATOM 0 HB THR A 26 -3.116 11.595 -7.281 1.00 0.00 H new ATOM 0 HG1 THR A 26 -2.022 12.666 -9.060 1.00 0.00 H new ATOM 0 HG21 THR A 26 -3.412 14.013 -7.676 1.00 0.00 H new ATOM 0 HG22 THR A 26 -3.456 13.618 -5.941 1.00 0.00 H new ATOM 0 HG23 THR A 26 -1.996 14.347 -6.651 1.00 0.00 H new ATOM 410 N TRP A 27 -2.081 9.379 -5.953 1.00 0.00 N ATOM 411 CA TRP A 27 -1.844 7.922 -5.951 1.00 0.00 C ATOM 412 C TRP A 27 -1.144 7.425 -7.241 1.00 0.00 C ATOM 413 O TRP A 27 -0.070 6.813 -7.176 1.00 0.00 O ATOM 414 CB TRP A 27 -3.170 7.183 -5.719 1.00 0.00 C ATOM 415 CG TRP A 27 -3.050 5.692 -5.599 1.00 0.00 C ATOM 416 CD1 TRP A 27 -2.769 4.980 -4.481 1.00 0.00 C ATOM 417 CD2 TRP A 27 -3.230 4.737 -6.641 1.00 0.00 C ATOM 418 NE1 TRP A 27 -2.738 3.649 -4.767 1.00 0.00 N ATOM 419 CE2 TRP A 27 -3.023 3.469 -6.091 1.00 0.00 C ATOM 420 CE3 TRP A 27 -3.538 4.845 -7.981 1.00 0.00 C ATOM 421 CZ2 TRP A 27 -3.118 2.305 -6.851 1.00 0.00 C ATOM 422 CZ3 TRP A 27 -3.633 3.714 -8.743 1.00 0.00 C ATOM 423 CH2 TRP A 27 -3.426 2.449 -8.180 1.00 0.00 C ATOM 0 H TRP A 27 -3.058 9.643 -5.823 1.00 0.00 H new ATOM 0 HA TRP A 27 -1.158 7.700 -5.133 1.00 0.00 H new ATOM 0 HB2 TRP A 27 -3.631 7.570 -4.810 1.00 0.00 H new ATOM 0 HB3 TRP A 27 -3.846 7.413 -6.542 1.00 0.00 H new ATOM 0 HD1 TRP A 27 -2.595 5.406 -3.504 1.00 0.00 H new ATOM 0 HE1 TRP A 27 -2.535 2.905 -4.099 1.00 0.00 H new ATOM 0 HE3 TRP A 27 -3.703 5.816 -8.425 1.00 0.00 H new ATOM 0 HZ2 TRP A 27 -2.956 1.331 -6.413 1.00 0.00 H new ATOM 0 HZ3 TRP A 27 -3.871 3.797 -9.793 1.00 0.00 H new ATOM 0 HH2 TRP A 27 -3.510 1.571 -8.803 1.00 0.00 H new ATOM 434 N GLU A 28 -1.721 7.736 -8.399 1.00 0.00 N ATOM 435 CA GLU A 28 -1.169 7.271 -9.688 1.00 0.00 C ATOM 436 C GLU A 28 0.173 7.933 -9.986 1.00 0.00 C ATOM 437 O GLU A 28 1.061 7.345 -10.599 1.00 0.00 O ATOM 438 CB GLU A 28 -2.149 7.515 -10.834 1.00 0.00 C ATOM 439 CG GLU A 28 -3.472 6.820 -10.675 1.00 0.00 C ATOM 440 CD GLU A 28 -4.361 6.986 -11.863 1.00 0.00 C ATOM 441 OE1 GLU A 28 -5.054 8.011 -11.954 1.00 0.00 O ATOM 442 OE2 GLU A 28 -4.393 6.081 -12.726 1.00 0.00 O ATOM 0 H GLU A 28 -2.565 8.303 -8.481 1.00 0.00 H new ATOM 0 HA GLU A 28 -1.008 6.196 -9.602 1.00 0.00 H new ATOM 0 HB2 GLU A 28 -2.324 8.587 -10.925 1.00 0.00 H new ATOM 0 HB3 GLU A 28 -1.689 7.187 -11.766 1.00 0.00 H new ATOM 0 HG2 GLU A 28 -3.300 5.758 -10.501 1.00 0.00 H new ATOM 0 HG3 GLU A 28 -3.978 7.210 -9.792 1.00 0.00 H new ATOM 449 N GLU A 29 0.311 9.140 -9.528 1.00 0.00 N ATOM 450 CA GLU A 29 1.502 9.915 -9.716 1.00 0.00 C ATOM 451 C GLU A 29 2.663 9.315 -8.909 1.00 0.00 C ATOM 452 O GLU A 29 3.776 9.197 -9.415 1.00 0.00 O ATOM 453 CB GLU A 29 1.186 11.322 -9.292 1.00 0.00 C ATOM 454 CG GLU A 29 2.282 12.328 -9.395 1.00 0.00 C ATOM 455 CD GLU A 29 1.785 13.662 -8.927 1.00 0.00 C ATOM 456 OE1 GLU A 29 1.102 13.712 -7.884 1.00 0.00 O ATOM 457 OE2 GLU A 29 1.991 14.675 -9.624 1.00 0.00 O ATOM 0 H GLU A 29 -0.416 9.625 -9.002 1.00 0.00 H new ATOM 0 HA GLU A 29 1.819 9.910 -10.759 1.00 0.00 H new ATOM 0 HB2 GLU A 29 0.347 11.675 -9.891 1.00 0.00 H new ATOM 0 HB3 GLU A 29 0.849 11.295 -8.256 1.00 0.00 H new ATOM 0 HG2 GLU A 29 3.135 12.015 -8.793 1.00 0.00 H new ATOM 0 HG3 GLU A 29 2.629 12.399 -10.426 1.00 0.00 H new ATOM 464 N GLY A 30 2.384 8.918 -7.659 1.00 0.00 N ATOM 465 CA GLY A 30 3.393 8.264 -6.823 1.00 0.00 C ATOM 466 C GLY A 30 3.789 6.930 -7.390 1.00 0.00 C ATOM 467 O GLY A 30 4.945 6.533 -7.312 1.00 0.00 O ATOM 0 H GLY A 30 1.476 9.038 -7.211 1.00 0.00 H new ATOM 0 HA2 GLY A 30 4.272 8.903 -6.743 1.00 0.00 H new ATOM 0 HA3 GLY A 30 3.002 8.131 -5.814 1.00 0.00 H new ATOM 471 N LEU A 31 2.815 6.263 -7.985 1.00 0.00 N ATOM 472 CA LEU A 31 3.006 4.985 -8.656 1.00 0.00 C ATOM 473 C LEU A 31 4.106 5.159 -9.724 1.00 0.00 C ATOM 474 O LEU A 31 5.093 4.412 -9.752 1.00 0.00 O ATOM 475 CB LEU A 31 1.652 4.587 -9.310 1.00 0.00 C ATOM 476 CG LEU A 31 1.440 3.154 -9.855 1.00 0.00 C ATOM 477 CD1 LEU A 31 0.019 3.022 -10.356 1.00 0.00 C ATOM 478 CD2 LEU A 31 2.393 2.807 -10.983 1.00 0.00 C ATOM 0 H LEU A 31 1.852 6.599 -8.017 1.00 0.00 H new ATOM 0 HA LEU A 31 3.313 4.203 -7.962 1.00 0.00 H new ATOM 0 HB2 LEU A 31 0.871 4.771 -8.572 1.00 0.00 H new ATOM 0 HB3 LEU A 31 1.478 5.276 -10.137 1.00 0.00 H new ATOM 0 HG LEU A 31 1.638 2.463 -9.036 1.00 0.00 H new ATOM 0 HD11 LEU A 31 -0.139 2.015 -10.742 1.00 0.00 H new ATOM 0 HD12 LEU A 31 -0.675 3.209 -9.536 1.00 0.00 H new ATOM 0 HD13 LEU A 31 -0.155 3.747 -11.151 1.00 0.00 H new ATOM 0 HD21 LEU A 31 2.198 1.791 -11.325 1.00 0.00 H new ATOM 0 HD22 LEU A 31 2.247 3.502 -11.810 1.00 0.00 H new ATOM 0 HD23 LEU A 31 3.420 2.878 -10.626 1.00 0.00 H new ATOM 490 N VAL A 32 3.941 6.184 -10.561 1.00 0.00 N ATOM 491 CA VAL A 32 4.889 6.485 -11.635 1.00 0.00 C ATOM 492 C VAL A 32 6.270 6.858 -11.052 1.00 0.00 C ATOM 493 O VAL A 32 7.315 6.533 -11.624 1.00 0.00 O ATOM 494 CB VAL A 32 4.360 7.623 -12.560 1.00 0.00 C ATOM 495 CG1 VAL A 32 5.351 7.941 -13.668 1.00 0.00 C ATOM 496 CG2 VAL A 32 3.018 7.237 -13.165 1.00 0.00 C ATOM 0 H VAL A 32 3.150 6.827 -10.514 1.00 0.00 H new ATOM 0 HA VAL A 32 4.998 5.587 -12.242 1.00 0.00 H new ATOM 0 HB VAL A 32 4.234 8.515 -11.946 1.00 0.00 H new ATOM 0 HG11 VAL A 32 4.952 8.738 -14.295 1.00 0.00 H new ATOM 0 HG12 VAL A 32 6.296 8.262 -13.230 1.00 0.00 H new ATOM 0 HG13 VAL A 32 5.517 7.051 -14.275 1.00 0.00 H new ATOM 0 HG21 VAL A 32 2.663 8.043 -13.808 1.00 0.00 H new ATOM 0 HG22 VAL A 32 3.133 6.327 -13.754 1.00 0.00 H new ATOM 0 HG23 VAL A 32 2.295 7.065 -12.367 1.00 0.00 H new ATOM 506 N ASP A 33 6.259 7.515 -9.905 1.00 0.00 N ATOM 507 CA ASP A 33 7.493 7.847 -9.181 1.00 0.00 C ATOM 508 C ASP A 33 8.253 6.607 -8.763 1.00 0.00 C ATOM 509 O ASP A 33 9.494 6.586 -8.773 1.00 0.00 O ATOM 510 CB ASP A 33 7.240 8.760 -7.980 1.00 0.00 C ATOM 511 CG ASP A 33 7.343 10.232 -8.304 1.00 0.00 C ATOM 512 OD1 ASP A 33 8.474 10.745 -8.363 1.00 0.00 O ATOM 513 OD2 ASP A 33 6.321 10.909 -8.510 1.00 0.00 O ATOM 0 H ASP A 33 5.407 7.835 -9.445 1.00 0.00 H new ATOM 0 HA ASP A 33 8.115 8.402 -9.884 1.00 0.00 H new ATOM 0 HB2 ASP A 33 6.247 8.554 -7.581 1.00 0.00 H new ATOM 0 HB3 ASP A 33 7.956 8.519 -7.194 1.00 0.00 H new ATOM 518 N CYS A 34 7.528 5.574 -8.399 1.00 0.00 N ATOM 519 CA CYS A 34 8.135 4.305 -8.058 1.00 0.00 C ATOM 520 C CYS A 34 8.784 3.694 -9.295 1.00 0.00 C ATOM 521 O CYS A 34 9.899 3.160 -9.218 1.00 0.00 O ATOM 522 CB CYS A 34 7.106 3.358 -7.465 1.00 0.00 C ATOM 523 SG CYS A 34 6.293 3.995 -5.966 1.00 0.00 S ATOM 0 H CYS A 34 6.510 5.587 -8.331 1.00 0.00 H new ATOM 0 HA CYS A 34 8.905 4.474 -7.305 1.00 0.00 H new ATOM 0 HB2 CYS A 34 6.346 3.147 -8.217 1.00 0.00 H new ATOM 0 HB3 CYS A 34 7.592 2.411 -7.228 1.00 0.00 H new ATOM 528 N ASP A 35 8.120 3.839 -10.449 1.00 0.00 N ATOM 529 CA ASP A 35 8.648 3.345 -11.736 1.00 0.00 C ATOM 530 C ASP A 35 9.956 3.989 -12.087 1.00 0.00 C ATOM 531 O ASP A 35 10.760 3.416 -12.823 1.00 0.00 O ATOM 532 CB ASP A 35 7.679 3.559 -12.892 1.00 0.00 C ATOM 533 CG ASP A 35 6.759 2.406 -13.122 1.00 0.00 C ATOM 534 OD1 ASP A 35 7.148 1.475 -13.879 1.00 0.00 O ATOM 535 OD2 ASP A 35 5.644 2.392 -12.602 1.00 0.00 O ATOM 0 H ASP A 35 7.211 4.296 -10.522 1.00 0.00 H new ATOM 0 HA ASP A 35 8.792 2.274 -11.593 1.00 0.00 H new ATOM 0 HB2 ASP A 35 7.086 4.453 -12.697 1.00 0.00 H new ATOM 0 HB3 ASP A 35 8.248 3.746 -13.802 1.00 0.00 H new ATOM 540 N GLY A 36 10.167 5.183 -11.568 1.00 0.00 N ATOM 541 CA GLY A 36 11.403 5.899 -11.779 1.00 0.00 C ATOM 542 C GLY A 36 12.613 5.104 -11.315 1.00 0.00 C ATOM 543 O GLY A 36 13.644 5.085 -11.977 1.00 0.00 O ATOM 0 H GLY A 36 9.488 5.679 -10.991 1.00 0.00 H new ATOM 0 HA2 GLY A 36 11.509 6.134 -12.838 1.00 0.00 H new ATOM 0 HA3 GLY A 36 11.367 6.848 -11.244 1.00 0.00 H new ATOM 547 N LYS A 37 12.455 4.389 -10.216 1.00 0.00 N ATOM 548 CA LYS A 37 13.542 3.586 -9.653 1.00 0.00 C ATOM 549 C LYS A 37 13.434 2.141 -10.124 1.00 0.00 C ATOM 550 O LYS A 37 14.126 1.273 -9.615 1.00 0.00 O ATOM 551 CB LYS A 37 13.530 3.582 -8.106 1.00 0.00 C ATOM 552 CG LYS A 37 13.751 4.924 -7.394 1.00 0.00 C ATOM 553 CD LYS A 37 12.581 5.879 -7.531 1.00 0.00 C ATOM 554 CE LYS A 37 12.776 7.094 -6.652 1.00 0.00 C ATOM 555 NZ LYS A 37 11.753 8.134 -6.915 1.00 0.00 N ATOM 0 H LYS A 37 11.583 4.344 -9.689 1.00 0.00 H new ATOM 0 HA LYS A 37 14.470 4.041 -9.999 1.00 0.00 H new ATOM 0 HB2 LYS A 37 12.571 3.180 -7.778 1.00 0.00 H new ATOM 0 HB3 LYS A 37 14.299 2.889 -7.765 1.00 0.00 H new ATOM 0 HG2 LYS A 37 13.937 4.739 -6.336 1.00 0.00 H new ATOM 0 HG3 LYS A 37 14.646 5.398 -7.797 1.00 0.00 H new ATOM 0 HD2 LYS A 37 12.478 6.189 -8.571 1.00 0.00 H new ATOM 0 HD3 LYS A 37 11.656 5.371 -7.257 1.00 0.00 H new ATOM 0 HE2 LYS A 37 12.730 6.796 -5.605 1.00 0.00 H new ATOM 0 HE3 LYS A 37 13.769 7.510 -6.822 1.00 0.00 H new ATOM 0 HZ1 LYS A 37 12.192 8.935 -7.413 1.00 0.00 H new ATOM 0 HZ2 LYS A 37 10.994 7.734 -7.503 1.00 0.00 H new ATOM 0 HZ3 LYS A 37 11.354 8.464 -6.013 1.00 0.00 H new ATOM 569 N GLY A 38 12.566 1.894 -11.098 1.00 0.00 N ATOM 570 CA GLY A 38 12.341 0.537 -11.555 1.00 0.00 C ATOM 571 C GLY A 38 11.649 -0.263 -10.486 1.00 0.00 C ATOM 572 O GLY A 38 11.942 -1.438 -10.267 1.00 0.00 O ATOM 0 H GLY A 38 12.016 2.607 -11.578 1.00 0.00 H new ATOM 0 HA2 GLY A 38 11.736 0.546 -12.461 1.00 0.00 H new ATOM 0 HA3 GLY A 38 13.292 0.069 -11.811 1.00 0.00 H new ATOM 576 N ALA A 39 10.752 0.392 -9.806 1.00 0.00 N ATOM 577 CA ALA A 39 10.048 -0.178 -8.708 1.00 0.00 C ATOM 578 C ALA A 39 8.564 0.000 -8.911 1.00 0.00 C ATOM 579 O ALA A 39 8.127 0.598 -9.895 1.00 0.00 O ATOM 580 CB ALA A 39 10.501 0.465 -7.411 1.00 0.00 C ATOM 0 H ALA A 39 10.489 1.356 -10.009 1.00 0.00 H new ATOM 0 HA ALA A 39 10.264 -1.245 -8.650 1.00 0.00 H new ATOM 0 HB1 ALA A 39 9.957 0.023 -6.576 1.00 0.00 H new ATOM 0 HB2 ALA A 39 11.570 0.299 -7.276 1.00 0.00 H new ATOM 0 HB3 ALA A 39 10.302 1.536 -7.447 1.00 0.00 H new ATOM 586 N THR A 40 7.809 -0.523 -8.015 1.00 0.00 N ATOM 587 CA THR A 40 6.385 -0.466 -8.067 1.00 0.00 C ATOM 588 C THR A 40 5.853 0.208 -6.807 1.00 0.00 C ATOM 589 O THR A 40 6.574 0.323 -5.830 1.00 0.00 O ATOM 590 CB THR A 40 5.839 -1.898 -8.189 1.00 0.00 C ATOM 591 OG1 THR A 40 6.558 -2.757 -7.277 1.00 0.00 O ATOM 592 CG2 THR A 40 6.002 -2.417 -9.609 1.00 0.00 C ATOM 0 H THR A 40 8.170 -1.018 -7.200 1.00 0.00 H new ATOM 0 HA THR A 40 6.061 0.117 -8.929 1.00 0.00 H new ATOM 0 HB THR A 40 4.777 -1.893 -7.942 1.00 0.00 H new ATOM 0 HG1 THR A 40 6.213 -3.672 -7.349 1.00 0.00 H new ATOM 0 HG21 THR A 40 5.609 -3.432 -9.673 1.00 0.00 H new ATOM 0 HG22 THR A 40 5.455 -1.772 -10.297 1.00 0.00 H new ATOM 0 HG23 THR A 40 7.059 -2.420 -9.876 1.00 0.00 H new ATOM 600 N LEU A 41 4.643 0.693 -6.846 1.00 0.00 N ATOM 601 CA LEU A 41 4.013 1.289 -5.672 1.00 0.00 C ATOM 602 C LEU A 41 3.734 0.137 -4.682 1.00 0.00 C ATOM 603 O LEU A 41 3.250 -0.897 -5.109 1.00 0.00 O ATOM 604 CB LEU A 41 2.714 1.996 -6.114 1.00 0.00 C ATOM 605 CG LEU A 41 2.013 2.917 -5.104 1.00 0.00 C ATOM 606 CD1 LEU A 41 2.910 4.070 -4.687 1.00 0.00 C ATOM 607 CD2 LEU A 41 0.729 3.462 -5.696 1.00 0.00 C ATOM 0 H LEU A 41 4.058 0.693 -7.681 1.00 0.00 H new ATOM 0 HA LEU A 41 4.646 2.035 -5.190 1.00 0.00 H new ATOM 0 HB2 LEU A 41 2.941 2.586 -7.002 1.00 0.00 H new ATOM 0 HB3 LEU A 41 2.002 1.228 -6.415 1.00 0.00 H new ATOM 0 HG LEU A 41 1.785 2.323 -4.219 1.00 0.00 H new ATOM 0 HD11 LEU A 41 2.382 4.701 -3.972 1.00 0.00 H new ATOM 0 HD12 LEU A 41 3.816 3.678 -4.225 1.00 0.00 H new ATOM 0 HD13 LEU A 41 3.176 4.660 -5.564 1.00 0.00 H new ATOM 0 HD21 LEU A 41 0.242 4.113 -4.970 1.00 0.00 H new ATOM 0 HD22 LEU A 41 0.957 4.030 -6.598 1.00 0.00 H new ATOM 0 HD23 LEU A 41 0.064 2.635 -5.946 1.00 0.00 H new ATOM 619 N MET A 42 4.061 0.350 -3.392 1.00 0.00 N ATOM 620 CA MET A 42 4.041 -0.685 -2.294 1.00 0.00 C ATOM 621 C MET A 42 2.961 -1.768 -2.435 1.00 0.00 C ATOM 622 O MET A 42 1.771 -1.460 -2.539 1.00 0.00 O ATOM 623 CB MET A 42 3.897 -0.001 -0.915 1.00 0.00 C ATOM 624 CG MET A 42 3.770 -0.958 0.266 1.00 0.00 C ATOM 625 SD MET A 42 5.183 -2.026 0.442 1.00 0.00 S ATOM 626 CE MET A 42 4.608 -3.112 1.738 1.00 0.00 C ATOM 0 H MET A 42 4.357 1.267 -3.057 1.00 0.00 H new ATOM 0 HA MET A 42 4.997 -1.202 -2.383 1.00 0.00 H new ATOM 0 HB2 MET A 42 4.762 0.641 -0.752 1.00 0.00 H new ATOM 0 HB3 MET A 42 3.020 0.646 -0.936 1.00 0.00 H new ATOM 0 HG2 MET A 42 3.639 -0.382 1.182 1.00 0.00 H new ATOM 0 HG3 MET A 42 2.874 -1.566 0.141 1.00 0.00 H new ATOM 0 HE1 MET A 42 5.460 -3.473 2.315 1.00 0.00 H new ATOM 0 HE2 MET A 42 3.930 -2.567 2.395 1.00 0.00 H new ATOM 0 HE3 MET A 42 4.083 -3.959 1.297 1.00 0.00 H new ATOM 636 N LEU A 43 3.401 -3.027 -2.388 1.00 0.00 N ATOM 637 CA LEU A 43 2.534 -4.191 -2.472 1.00 0.00 C ATOM 638 C LEU A 43 2.574 -4.936 -1.134 1.00 0.00 C ATOM 639 O LEU A 43 3.551 -5.612 -0.808 1.00 0.00 O ATOM 640 CB LEU A 43 2.952 -5.178 -3.604 1.00 0.00 C ATOM 641 CG LEU A 43 2.866 -4.731 -5.088 1.00 0.00 C ATOM 642 CD1 LEU A 43 1.578 -4.085 -5.401 1.00 0.00 C ATOM 643 CD2 LEU A 43 4.021 -3.888 -5.558 1.00 0.00 C ATOM 0 H LEU A 43 4.388 -3.264 -2.289 1.00 0.00 H new ATOM 0 HA LEU A 43 1.531 -3.832 -2.703 1.00 0.00 H new ATOM 0 HB2 LEU A 43 3.984 -5.474 -3.413 1.00 0.00 H new ATOM 0 HB3 LEU A 43 2.339 -6.073 -3.498 1.00 0.00 H new ATOM 0 HG LEU A 43 2.932 -5.661 -5.653 1.00 0.00 H new ATOM 0 HD11 LEU A 43 1.565 -3.790 -6.450 1.00 0.00 H new ATOM 0 HD12 LEU A 43 0.764 -4.785 -5.211 1.00 0.00 H new ATOM 0 HD13 LEU A 43 1.452 -3.202 -4.774 1.00 0.00 H new ATOM 0 HD21 LEU A 43 3.876 -3.623 -6.605 1.00 0.00 H new ATOM 0 HD22 LEU A 43 4.076 -2.980 -4.958 1.00 0.00 H new ATOM 0 HD23 LEU A 43 4.949 -4.450 -5.452 1.00 0.00 H new ATOM 655 N ILE A 44 1.537 -4.798 -0.360 1.00 0.00 N ATOM 656 CA ILE A 44 1.462 -5.428 0.945 1.00 0.00 C ATOM 657 C ILE A 44 0.957 -6.855 0.797 1.00 0.00 C ATOM 658 O ILE A 44 -0.172 -7.090 0.381 1.00 0.00 O ATOM 659 CB ILE A 44 0.523 -4.651 1.890 1.00 0.00 C ATOM 660 CG1 ILE A 44 0.923 -3.176 1.918 1.00 0.00 C ATOM 661 CG2 ILE A 44 0.576 -5.243 3.304 1.00 0.00 C ATOM 662 CD1 ILE A 44 -0.051 -2.305 2.654 1.00 0.00 C ATOM 0 H ILE A 44 0.715 -4.247 -0.607 1.00 0.00 H new ATOM 0 HA ILE A 44 2.463 -5.428 1.377 1.00 0.00 H new ATOM 0 HB ILE A 44 -0.499 -4.736 1.520 1.00 0.00 H new ATOM 0 HG12 ILE A 44 1.905 -3.083 2.383 1.00 0.00 H new ATOM 0 HG13 ILE A 44 1.020 -2.815 0.894 1.00 0.00 H new ATOM 0 HG21 ILE A 44 -0.092 -4.683 3.958 1.00 0.00 H new ATOM 0 HG22 ILE A 44 0.263 -6.287 3.273 1.00 0.00 H new ATOM 0 HG23 ILE A 44 1.595 -5.180 3.687 1.00 0.00 H new ATOM 0 HD11 ILE A 44 0.297 -1.272 2.633 1.00 0.00 H new ATOM 0 HD12 ILE A 44 -1.029 -2.368 2.176 1.00 0.00 H new ATOM 0 HD13 ILE A 44 -0.130 -2.641 3.688 1.00 0.00 H new ATOM 674 N GLN A 45 1.802 -7.780 1.118 1.00 0.00 N ATOM 675 CA GLN A 45 1.486 -9.187 1.016 1.00 0.00 C ATOM 676 C GLN A 45 0.871 -9.717 2.303 1.00 0.00 C ATOM 677 O GLN A 45 -0.093 -10.483 2.288 1.00 0.00 O ATOM 678 CB GLN A 45 2.770 -9.948 0.754 1.00 0.00 C ATOM 679 CG GLN A 45 2.618 -11.454 0.748 1.00 0.00 C ATOM 680 CD GLN A 45 3.946 -12.141 0.690 1.00 0.00 C ATOM 681 OE1 GLN A 45 4.901 -11.609 0.141 1.00 0.00 O ATOM 682 NE2 GLN A 45 4.025 -13.312 1.254 1.00 0.00 N ATOM 0 H GLN A 45 2.743 -7.589 1.463 1.00 0.00 H new ATOM 0 HA GLN A 45 0.767 -9.320 0.208 1.00 0.00 H new ATOM 0 HB2 GLN A 45 3.174 -9.633 -0.208 1.00 0.00 H new ATOM 0 HB3 GLN A 45 3.502 -9.673 1.513 1.00 0.00 H new ATOM 0 HG2 GLN A 45 2.083 -11.770 1.644 1.00 0.00 H new ATOM 0 HG3 GLN A 45 2.014 -11.756 -0.107 1.00 0.00 H new ATOM 0 HE21 GLN A 45 3.204 -13.719 1.701 1.00 0.00 H new ATOM 0 HE22 GLN A 45 4.908 -13.822 1.249 1.00 0.00 H new ATOM 691 N ASP A 46 1.434 -9.309 3.403 1.00 0.00 N ATOM 692 CA ASP A 46 1.085 -9.876 4.677 1.00 0.00 C ATOM 693 C ASP A 46 1.234 -8.817 5.750 1.00 0.00 C ATOM 694 O ASP A 46 1.796 -7.749 5.486 1.00 0.00 O ATOM 695 CB ASP A 46 2.025 -11.068 4.938 1.00 0.00 C ATOM 696 CG ASP A 46 1.747 -11.783 6.217 1.00 0.00 C ATOM 697 OD1 ASP A 46 0.768 -12.539 6.282 1.00 0.00 O ATOM 698 OD2 ASP A 46 2.483 -11.571 7.190 1.00 0.00 O ATOM 0 H ASP A 46 2.144 -8.578 3.445 1.00 0.00 H new ATOM 0 HA ASP A 46 0.052 -10.223 4.686 1.00 0.00 H new ATOM 0 HB2 ASP A 46 1.940 -11.774 4.112 1.00 0.00 H new ATOM 0 HB3 ASP A 46 3.055 -10.711 4.948 1.00 0.00 H new ATOM 703 N GLN A 47 0.757 -9.094 6.950 1.00 0.00 N ATOM 704 CA GLN A 47 0.824 -8.149 8.036 1.00 0.00 C ATOM 705 C GLN A 47 2.256 -7.960 8.520 1.00 0.00 C ATOM 706 O GLN A 47 2.588 -6.914 9.083 1.00 0.00 O ATOM 707 CB GLN A 47 -0.125 -8.537 9.162 1.00 0.00 C ATOM 708 CG GLN A 47 -0.213 -7.513 10.271 1.00 0.00 C ATOM 709 CD GLN A 47 -1.505 -7.608 11.023 1.00 0.00 C ATOM 710 OE1 GLN A 47 -2.100 -8.677 11.149 1.00 0.00 O ATOM 711 NE2 GLN A 47 -1.951 -6.501 11.524 1.00 0.00 N ATOM 0 H GLN A 47 0.314 -9.980 7.193 1.00 0.00 H new ATOM 0 HA GLN A 47 0.491 -7.181 7.662 1.00 0.00 H new ATOM 0 HB2 GLN A 47 -1.120 -8.694 8.747 1.00 0.00 H new ATOM 0 HB3 GLN A 47 0.198 -9.488 9.584 1.00 0.00 H new ATOM 0 HG2 GLN A 47 0.619 -7.654 10.961 1.00 0.00 H new ATOM 0 HG3 GLN A 47 -0.112 -6.513 9.850 1.00 0.00 H new ATOM 0 HE21 GLN A 47 -1.426 -5.636 11.396 1.00 0.00 H new ATOM 0 HE22 GLN A 47 -2.827 -6.494 12.046 1.00 0.00 H new ATOM 720 N GLU A 48 3.117 -8.947 8.244 1.00 0.00 N ATOM 721 CA GLU A 48 4.543 -8.827 8.534 1.00 0.00 C ATOM 722 C GLU A 48 5.124 -7.630 7.823 1.00 0.00 C ATOM 723 O GLU A 48 6.028 -6.954 8.352 1.00 0.00 O ATOM 724 CB GLU A 48 5.294 -10.084 8.109 1.00 0.00 C ATOM 725 CG GLU A 48 5.317 -11.169 9.156 1.00 0.00 C ATOM 726 CD GLU A 48 6.166 -10.772 10.331 1.00 0.00 C ATOM 727 OE1 GLU A 48 7.405 -10.987 10.285 1.00 0.00 O ATOM 728 OE2 GLU A 48 5.637 -10.235 11.308 1.00 0.00 O ATOM 0 H GLU A 48 2.847 -9.835 7.821 1.00 0.00 H new ATOM 0 HA GLU A 48 4.655 -8.699 9.611 1.00 0.00 H new ATOM 0 HB2 GLU A 48 4.837 -10.479 7.202 1.00 0.00 H new ATOM 0 HB3 GLU A 48 6.320 -9.814 7.858 1.00 0.00 H new ATOM 0 HG2 GLU A 48 4.301 -11.376 9.492 1.00 0.00 H new ATOM 0 HG3 GLU A 48 5.703 -12.091 8.720 1.00 0.00 H new ATOM 735 N GLU A 49 4.583 -7.340 6.638 1.00 0.00 N ATOM 736 CA GLU A 49 5.022 -6.208 5.863 1.00 0.00 C ATOM 737 C GLU A 49 4.685 -4.948 6.608 1.00 0.00 C ATOM 738 O GLU A 49 5.565 -4.181 6.950 1.00 0.00 O ATOM 739 CB GLU A 49 4.344 -6.163 4.486 1.00 0.00 C ATOM 740 CG GLU A 49 4.492 -7.424 3.649 1.00 0.00 C ATOM 741 CD GLU A 49 5.908 -7.939 3.557 1.00 0.00 C ATOM 742 OE1 GLU A 49 6.859 -7.153 3.571 1.00 0.00 O ATOM 743 OE2 GLU A 49 6.072 -9.163 3.472 1.00 0.00 O ATOM 0 H GLU A 49 3.838 -7.884 6.204 1.00 0.00 H new ATOM 0 HA GLU A 49 6.097 -6.299 5.711 1.00 0.00 H new ATOM 0 HB2 GLU A 49 3.282 -5.963 4.628 1.00 0.00 H new ATOM 0 HB3 GLU A 49 4.754 -5.323 3.924 1.00 0.00 H new ATOM 0 HG2 GLU A 49 3.860 -8.204 4.072 1.00 0.00 H new ATOM 0 HG3 GLU A 49 4.123 -7.225 2.643 1.00 0.00 H new ATOM 750 N LEU A 50 3.411 -4.794 6.960 1.00 0.00 N ATOM 751 CA LEU A 50 2.963 -3.579 7.616 1.00 0.00 C ATOM 752 C LEU A 50 3.537 -3.393 8.977 1.00 0.00 C ATOM 753 O LEU A 50 3.712 -2.284 9.404 1.00 0.00 O ATOM 754 CB LEU A 50 1.463 -3.394 7.613 1.00 0.00 C ATOM 755 CG LEU A 50 0.860 -3.115 6.261 1.00 0.00 C ATOM 756 CD1 LEU A 50 -0.645 -2.953 6.378 1.00 0.00 C ATOM 757 CD2 LEU A 50 1.512 -1.871 5.664 1.00 0.00 C ATOM 0 H LEU A 50 2.682 -5.489 6.802 1.00 0.00 H new ATOM 0 HA LEU A 50 3.367 -2.781 6.993 1.00 0.00 H new ATOM 0 HB2 LEU A 50 1.000 -4.292 8.023 1.00 0.00 H new ATOM 0 HB3 LEU A 50 1.212 -2.572 8.283 1.00 0.00 H new ATOM 0 HG LEU A 50 1.047 -3.957 5.594 1.00 0.00 H new ATOM 0 HD11 LEU A 50 -1.067 -2.752 5.393 1.00 0.00 H new ATOM 0 HD12 LEU A 50 -1.079 -3.869 6.779 1.00 0.00 H new ATOM 0 HD13 LEU A 50 -0.871 -2.122 7.046 1.00 0.00 H new ATOM 0 HD21 LEU A 50 1.078 -1.667 4.685 1.00 0.00 H new ATOM 0 HD22 LEU A 50 1.341 -1.019 6.322 1.00 0.00 H new ATOM 0 HD23 LEU A 50 2.584 -2.038 5.557 1.00 0.00 H new ATOM 769 N ARG A 51 3.840 -4.474 9.645 1.00 0.00 N ATOM 770 CA ARG A 51 4.549 -4.407 10.918 1.00 0.00 C ATOM 771 C ARG A 51 5.879 -3.692 10.720 1.00 0.00 C ATOM 772 O ARG A 51 6.231 -2.781 11.465 1.00 0.00 O ATOM 773 CB ARG A 51 4.799 -5.813 11.449 1.00 0.00 C ATOM 774 CG ARG A 51 3.642 -6.471 12.190 1.00 0.00 C ATOM 775 CD ARG A 51 3.756 -6.241 13.695 1.00 0.00 C ATOM 776 NE ARG A 51 3.564 -4.838 14.114 1.00 0.00 N ATOM 777 CZ ARG A 51 4.547 -4.004 14.504 1.00 0.00 C ATOM 778 NH1 ARG A 51 5.818 -4.375 14.389 1.00 0.00 N ATOM 779 NH2 ARG A 51 4.242 -2.807 15.008 1.00 0.00 N ATOM 0 H ARG A 51 3.611 -5.419 9.337 1.00 0.00 H new ATOM 0 HA ARG A 51 3.942 -3.858 11.638 1.00 0.00 H new ATOM 0 HB2 ARG A 51 5.075 -6.451 10.610 1.00 0.00 H new ATOM 0 HB3 ARG A 51 5.658 -5.778 12.119 1.00 0.00 H new ATOM 0 HG2 ARG A 51 2.697 -6.068 11.827 1.00 0.00 H new ATOM 0 HG3 ARG A 51 3.633 -7.541 11.981 1.00 0.00 H new ATOM 0 HD2 ARG A 51 3.018 -6.863 14.202 1.00 0.00 H new ATOM 0 HD3 ARG A 51 4.738 -6.576 14.028 1.00 0.00 H new ATOM 0 HE ARG A 51 2.612 -4.472 14.108 1.00 0.00 H new ATOM 0 HH11 ARG A 51 6.049 -5.291 14.005 1.00 0.00 H new ATOM 0 HH12 ARG A 51 6.562 -3.743 14.684 1.00 0.00 H new ATOM 0 HH21 ARG A 51 3.266 -2.525 15.097 1.00 0.00 H new ATOM 0 HH22 ARG A 51 4.985 -2.174 15.304 1.00 0.00 H new ATOM 793 N PHE A 52 6.569 -4.079 9.669 1.00 0.00 N ATOM 794 CA PHE A 52 7.849 -3.497 9.325 1.00 0.00 C ATOM 795 C PHE A 52 7.667 -2.047 8.890 1.00 0.00 C ATOM 796 O PHE A 52 8.542 -1.211 9.125 1.00 0.00 O ATOM 797 CB PHE A 52 8.521 -4.319 8.235 1.00 0.00 C ATOM 798 CG PHE A 52 9.937 -3.933 7.934 1.00 0.00 C ATOM 799 CD1 PHE A 52 10.956 -4.253 8.817 1.00 0.00 C ATOM 800 CD2 PHE A 52 10.256 -3.289 6.759 1.00 0.00 C ATOM 801 CE1 PHE A 52 12.263 -3.931 8.531 1.00 0.00 C ATOM 802 CE2 PHE A 52 11.557 -2.962 6.468 1.00 0.00 C ATOM 803 CZ PHE A 52 12.567 -3.285 7.354 1.00 0.00 C ATOM 0 H PHE A 52 6.258 -4.808 9.027 1.00 0.00 H new ATOM 0 HA PHE A 52 8.495 -3.507 10.203 1.00 0.00 H new ATOM 0 HB2 PHE A 52 8.501 -5.369 8.528 1.00 0.00 H new ATOM 0 HB3 PHE A 52 7.934 -4.232 7.321 1.00 0.00 H new ATOM 0 HD1 PHE A 52 10.722 -4.761 9.741 1.00 0.00 H new ATOM 0 HD2 PHE A 52 9.473 -3.038 6.058 1.00 0.00 H new ATOM 0 HE1 PHE A 52 13.048 -4.184 9.228 1.00 0.00 H new ATOM 0 HE2 PHE A 52 11.791 -2.452 5.546 1.00 0.00 H new ATOM 0 HZ PHE A 52 13.591 -3.032 7.124 1.00 0.00 H new ATOM 813 N LEU A 53 6.521 -1.746 8.278 1.00 0.00 N ATOM 814 CA LEU A 53 6.202 -0.387 7.911 1.00 0.00 C ATOM 815 C LEU A 53 6.041 0.430 9.163 1.00 0.00 C ATOM 816 O LEU A 53 6.738 1.387 9.364 1.00 0.00 O ATOM 817 CB LEU A 53 4.911 -0.282 7.044 1.00 0.00 C ATOM 818 CG LEU A 53 5.043 -0.460 5.494 1.00 0.00 C ATOM 819 CD1 LEU A 53 5.988 0.550 4.899 1.00 0.00 C ATOM 820 CD2 LEU A 53 5.472 -1.844 5.086 1.00 0.00 C ATOM 0 H LEU A 53 5.807 -2.431 8.031 1.00 0.00 H new ATOM 0 HA LEU A 53 7.022 -0.007 7.302 1.00 0.00 H new ATOM 0 HB2 LEU A 53 4.205 -1.030 7.406 1.00 0.00 H new ATOM 0 HB3 LEU A 53 4.464 0.695 7.230 1.00 0.00 H new ATOM 0 HG LEU A 53 4.039 -0.296 5.102 1.00 0.00 H new ATOM 0 HD11 LEU A 53 6.054 0.396 3.822 1.00 0.00 H new ATOM 0 HD12 LEU A 53 5.619 1.556 5.099 1.00 0.00 H new ATOM 0 HD13 LEU A 53 6.976 0.431 5.344 1.00 0.00 H new ATOM 0 HD21 LEU A 53 5.543 -1.897 4.000 1.00 0.00 H new ATOM 0 HD22 LEU A 53 6.444 -2.068 5.525 1.00 0.00 H new ATOM 0 HD23 LEU A 53 4.739 -2.570 5.438 1.00 0.00 H new ATOM 832 N LEU A 54 5.186 -0.028 10.038 1.00 0.00 N ATOM 833 CA LEU A 54 4.853 0.668 11.265 1.00 0.00 C ATOM 834 C LEU A 54 6.081 0.939 12.137 1.00 0.00 C ATOM 835 O LEU A 54 6.174 1.995 12.765 1.00 0.00 O ATOM 836 CB LEU A 54 3.763 -0.099 12.024 1.00 0.00 C ATOM 837 CG LEU A 54 2.463 -0.337 11.236 1.00 0.00 C ATOM 838 CD1 LEU A 54 1.395 -0.968 12.100 1.00 0.00 C ATOM 839 CD2 LEU A 54 1.962 0.940 10.571 1.00 0.00 C ATOM 0 H LEU A 54 4.689 -0.911 9.921 1.00 0.00 H new ATOM 0 HA LEU A 54 4.460 1.649 10.999 1.00 0.00 H new ATOM 0 HB2 LEU A 54 4.166 -1.064 12.330 1.00 0.00 H new ATOM 0 HB3 LEU A 54 3.522 0.449 12.935 1.00 0.00 H new ATOM 0 HG LEU A 54 2.697 -1.044 10.440 1.00 0.00 H new ATOM 0 HD11 LEU A 54 0.492 -1.121 11.509 1.00 0.00 H new ATOM 0 HD12 LEU A 54 1.750 -1.928 12.475 1.00 0.00 H new ATOM 0 HD13 LEU A 54 1.172 -0.311 12.940 1.00 0.00 H new ATOM 0 HD21 LEU A 54 1.043 0.729 10.025 1.00 0.00 H new ATOM 0 HD22 LEU A 54 1.767 1.694 11.333 1.00 0.00 H new ATOM 0 HD23 LEU A 54 2.718 1.311 9.879 1.00 0.00 H new ATOM 851 N ASP A 55 7.033 0.014 12.141 1.00 0.00 N ATOM 852 CA ASP A 55 8.278 0.204 12.895 1.00 0.00 C ATOM 853 C ASP A 55 9.199 1.222 12.234 1.00 0.00 C ATOM 854 O ASP A 55 9.897 1.971 12.916 1.00 0.00 O ATOM 855 CB ASP A 55 9.055 -1.108 13.110 1.00 0.00 C ATOM 856 CG ASP A 55 8.429 -2.052 14.111 1.00 0.00 C ATOM 857 OD1 ASP A 55 8.198 -1.644 15.273 1.00 0.00 O ATOM 858 OD2 ASP A 55 8.172 -3.221 13.771 1.00 0.00 O ATOM 0 H ASP A 55 6.973 -0.871 11.637 1.00 0.00 H new ATOM 0 HA ASP A 55 7.964 0.581 13.868 1.00 0.00 H new ATOM 0 HB2 ASP A 55 9.146 -1.622 12.153 1.00 0.00 H new ATOM 0 HB3 ASP A 55 10.065 -0.867 13.440 1.00 0.00 H new ATOM 863 N SER A 56 9.198 1.269 10.922 1.00 0.00 N ATOM 864 CA SER A 56 10.087 2.161 10.204 1.00 0.00 C ATOM 865 C SER A 56 9.490 3.565 10.014 1.00 0.00 C ATOM 866 O SER A 56 10.228 4.569 9.991 1.00 0.00 O ATOM 867 CB SER A 56 10.505 1.536 8.872 1.00 0.00 C ATOM 868 OG SER A 56 9.380 1.117 8.118 1.00 0.00 O ATOM 0 H SER A 56 8.593 0.702 10.328 1.00 0.00 H new ATOM 0 HA SER A 56 10.979 2.297 10.815 1.00 0.00 H new ATOM 0 HB2 SER A 56 11.082 2.259 8.295 1.00 0.00 H new ATOM 0 HB3 SER A 56 11.158 0.683 9.058 1.00 0.00 H new ATOM 0 HG SER A 56 9.170 0.185 8.335 1.00 0.00 H new ATOM 874 N ILE A 57 8.162 3.628 9.891 1.00 0.00 N ATOM 875 CA ILE A 57 7.429 4.881 9.699 1.00 0.00 C ATOM 876 C ILE A 57 7.684 5.864 10.840 1.00 0.00 C ATOM 877 O ILE A 57 7.961 7.047 10.588 1.00 0.00 O ATOM 878 CB ILE A 57 5.879 4.648 9.548 1.00 0.00 C ATOM 879 CG1 ILE A 57 5.535 3.847 8.275 1.00 0.00 C ATOM 880 CG2 ILE A 57 5.102 5.952 9.580 1.00 0.00 C ATOM 881 CD1 ILE A 57 6.042 4.446 6.986 1.00 0.00 C ATOM 0 H ILE A 57 7.561 2.804 9.922 1.00 0.00 H new ATOM 0 HA ILE A 57 7.805 5.309 8.770 1.00 0.00 H new ATOM 0 HB ILE A 57 5.575 4.054 10.410 1.00 0.00 H new ATOM 0 HG12 ILE A 57 5.943 2.841 8.376 1.00 0.00 H new ATOM 0 HG13 ILE A 57 4.452 3.746 8.209 1.00 0.00 H new ATOM 0 HG21 ILE A 57 4.037 5.744 9.473 1.00 0.00 H new ATOM 0 HG22 ILE A 57 5.279 6.458 10.529 1.00 0.00 H new ATOM 0 HG23 ILE A 57 5.431 6.592 8.761 1.00 0.00 H new ATOM 0 HD11 ILE A 57 5.750 3.811 6.150 1.00 0.00 H new ATOM 0 HD12 ILE A 57 5.614 5.440 6.854 1.00 0.00 H new ATOM 0 HD13 ILE A 57 7.129 4.521 7.022 1.00 0.00 H new ATOM 893 N LYS A 58 7.582 5.366 12.078 1.00 0.00 N ATOM 894 CA LYS A 58 7.758 6.162 13.306 1.00 0.00 C ATOM 895 C LYS A 58 6.609 7.166 13.530 1.00 0.00 C ATOM 896 O LYS A 58 5.809 6.997 14.457 1.00 0.00 O ATOM 897 CB LYS A 58 9.154 6.844 13.354 1.00 0.00 C ATOM 898 CG LYS A 58 9.393 7.773 14.548 1.00 0.00 C ATOM 899 CD LYS A 58 9.127 7.081 15.875 1.00 0.00 C ATOM 900 CE LYS A 58 9.518 7.967 17.041 1.00 0.00 C ATOM 901 NZ LYS A 58 9.273 7.321 18.347 1.00 0.00 N ATOM 0 H LYS A 58 7.372 4.385 12.261 1.00 0.00 H new ATOM 0 HA LYS A 58 7.715 5.463 14.141 1.00 0.00 H new ATOM 0 HB2 LYS A 58 9.919 6.067 13.362 1.00 0.00 H new ATOM 0 HB3 LYS A 58 9.291 7.417 12.437 1.00 0.00 H new ATOM 0 HG2 LYS A 58 10.422 8.132 14.527 1.00 0.00 H new ATOM 0 HG3 LYS A 58 8.749 8.648 14.461 1.00 0.00 H new ATOM 0 HD2 LYS A 58 8.071 6.823 15.949 1.00 0.00 H new ATOM 0 HD3 LYS A 58 9.687 6.147 15.920 1.00 0.00 H new ATOM 0 HE2 LYS A 58 10.574 8.226 16.959 1.00 0.00 H new ATOM 0 HE3 LYS A 58 8.956 8.900 16.989 1.00 0.00 H new ATOM 0 HZ1 LYS A 58 9.556 7.966 19.112 1.00 0.00 H new ATOM 0 HZ2 LYS A 58 8.262 7.097 18.439 1.00 0.00 H new ATOM 0 HZ3 LYS A 58 9.829 6.444 18.410 1.00 0.00 H new ATOM 915 N GLU A 59 6.535 8.165 12.661 1.00 0.00 N ATOM 916 CA GLU A 59 5.562 9.266 12.722 1.00 0.00 C ATOM 917 C GLU A 59 4.120 8.757 12.848 1.00 0.00 C ATOM 918 O GLU A 59 3.424 9.065 13.819 1.00 0.00 O ATOM 919 CB GLU A 59 5.700 10.105 11.458 1.00 0.00 C ATOM 920 CG GLU A 59 7.048 10.776 11.299 1.00 0.00 C ATOM 921 CD GLU A 59 7.230 11.374 9.932 1.00 0.00 C ATOM 922 OE1 GLU A 59 6.543 12.364 9.595 1.00 0.00 O ATOM 923 OE2 GLU A 59 8.051 10.854 9.155 1.00 0.00 O ATOM 0 H GLU A 59 7.168 8.241 11.865 1.00 0.00 H new ATOM 0 HA GLU A 59 5.773 9.862 13.610 1.00 0.00 H new ATOM 0 HB2 GLU A 59 5.520 9.468 10.592 1.00 0.00 H new ATOM 0 HB3 GLU A 59 4.924 10.870 11.458 1.00 0.00 H new ATOM 0 HG2 GLU A 59 7.154 11.557 12.052 1.00 0.00 H new ATOM 0 HG3 GLU A 59 7.838 10.048 11.483 1.00 0.00 H new ATOM 930 N LYS A 60 3.704 7.963 11.851 1.00 0.00 N ATOM 931 CA LYS A 60 2.372 7.333 11.738 1.00 0.00 C ATOM 932 C LYS A 60 1.304 8.287 11.239 1.00 0.00 C ATOM 933 O LYS A 60 0.604 7.965 10.288 1.00 0.00 O ATOM 934 CB LYS A 60 1.887 6.662 13.029 1.00 0.00 C ATOM 935 CG LYS A 60 2.815 5.627 13.608 1.00 0.00 C ATOM 936 CD LYS A 60 2.182 4.997 14.821 1.00 0.00 C ATOM 937 CE LYS A 60 3.158 4.149 15.586 1.00 0.00 C ATOM 938 NZ LYS A 60 4.251 4.968 16.158 1.00 0.00 N ATOM 0 H LYS A 60 4.310 7.729 11.065 1.00 0.00 H new ATOM 0 HA LYS A 60 2.523 6.552 10.993 1.00 0.00 H new ATOM 0 HB2 LYS A 60 1.719 7.435 13.779 1.00 0.00 H new ATOM 0 HB3 LYS A 60 0.923 6.192 12.834 1.00 0.00 H new ATOM 0 HG2 LYS A 60 3.033 4.863 12.862 1.00 0.00 H new ATOM 0 HG3 LYS A 60 3.765 6.088 13.880 1.00 0.00 H new ATOM 0 HD2 LYS A 60 1.791 5.778 15.473 1.00 0.00 H new ATOM 0 HD3 LYS A 60 1.334 4.385 14.512 1.00 0.00 H new ATOM 0 HE2 LYS A 60 2.637 3.624 16.387 1.00 0.00 H new ATOM 0 HE3 LYS A 60 3.577 3.389 14.927 1.00 0.00 H new ATOM 0 HZ1 LYS A 60 4.758 4.415 16.878 1.00 0.00 H new ATOM 0 HZ2 LYS A 60 4.911 5.242 15.403 1.00 0.00 H new ATOM 0 HZ3 LYS A 60 3.852 5.823 16.595 1.00 0.00 H new ATOM 952 N TYR A 61 1.237 9.488 11.820 1.00 0.00 N ATOM 953 CA TYR A 61 0.140 10.478 11.582 1.00 0.00 C ATOM 954 C TYR A 61 0.234 11.159 10.203 1.00 0.00 C ATOM 955 O TYR A 61 -0.225 12.277 10.000 1.00 0.00 O ATOM 956 CB TYR A 61 0.144 11.528 12.695 1.00 0.00 C ATOM 957 CG TYR A 61 0.293 10.926 14.071 1.00 0.00 C ATOM 958 CD1 TYR A 61 -0.605 9.983 14.541 1.00 0.00 C ATOM 959 CD2 TYR A 61 1.360 11.270 14.879 1.00 0.00 C ATOM 960 CE1 TYR A 61 -0.447 9.410 15.784 1.00 0.00 C ATOM 961 CE2 TYR A 61 1.532 10.699 16.114 1.00 0.00 C ATOM 962 CZ TYR A 61 0.624 9.770 16.565 1.00 0.00 C ATOM 963 OH TYR A 61 0.802 9.189 17.803 1.00 0.00 O ATOM 0 H TYR A 61 1.942 9.820 12.478 1.00 0.00 H new ATOM 0 HA TYR A 61 -0.800 9.927 11.592 1.00 0.00 H new ATOM 0 HB2 TYR A 61 0.959 12.231 12.521 1.00 0.00 H new ATOM 0 HB3 TYR A 61 -0.784 12.099 12.652 1.00 0.00 H new ATOM 0 HD1 TYR A 61 -1.442 9.692 13.924 1.00 0.00 H new ATOM 0 HD2 TYR A 61 2.073 12.003 14.531 1.00 0.00 H new ATOM 0 HE1 TYR A 61 -1.161 8.683 16.142 1.00 0.00 H new ATOM 0 HE2 TYR A 61 2.375 10.977 16.729 1.00 0.00 H new ATOM 0 HH TYR A 61 1.608 9.555 18.223 1.00 0.00 H new ATOM 973 N ASN A 62 0.741 10.434 9.278 1.00 0.00 N ATOM 974 CA ASN A 62 0.887 10.837 7.907 1.00 0.00 C ATOM 975 C ASN A 62 -0.100 10.030 7.093 1.00 0.00 C ATOM 976 O ASN A 62 -1.050 9.467 7.645 1.00 0.00 O ATOM 977 CB ASN A 62 2.316 10.533 7.419 1.00 0.00 C ATOM 978 CG ASN A 62 3.378 11.419 8.031 1.00 0.00 C ATOM 979 OD1 ASN A 62 3.147 12.582 8.314 1.00 0.00 O ATOM 980 ND2 ASN A 62 4.547 10.862 8.262 1.00 0.00 N ATOM 0 H ASN A 62 1.088 9.491 9.453 1.00 0.00 H new ATOM 0 HA ASN A 62 0.703 11.906 7.802 1.00 0.00 H new ATOM 0 HB2 ASN A 62 2.552 9.493 7.644 1.00 0.00 H new ATOM 0 HB3 ASN A 62 2.349 10.640 6.335 1.00 0.00 H new ATOM 0 HD21 ASN A 62 5.295 11.406 8.691 1.00 0.00 H new ATOM 0 HD22 ASN A 62 4.705 9.886 8.012 1.00 0.00 H new ATOM 987 N SER A 63 0.094 9.984 5.809 1.00 0.00 N ATOM 988 CA SER A 63 -0.704 9.196 4.926 1.00 0.00 C ATOM 989 C SER A 63 0.173 8.811 3.766 1.00 0.00 C ATOM 990 O SER A 63 0.760 9.687 3.126 1.00 0.00 O ATOM 991 CB SER A 63 -1.953 9.964 4.468 1.00 0.00 C ATOM 992 OG SER A 63 -2.782 10.285 5.587 1.00 0.00 O ATOM 0 H SER A 63 0.831 10.508 5.337 1.00 0.00 H new ATOM 0 HA SER A 63 -1.073 8.303 5.431 1.00 0.00 H new ATOM 0 HB2 SER A 63 -1.657 10.878 3.953 1.00 0.00 H new ATOM 0 HB3 SER A 63 -2.514 9.363 3.753 1.00 0.00 H new ATOM 0 HG SER A 63 -3.572 10.775 5.279 1.00 0.00 H new ATOM 998 N PHE A 64 0.348 7.528 3.566 1.00 0.00 N ATOM 999 CA PHE A 64 1.204 7.043 2.504 1.00 0.00 C ATOM 1000 C PHE A 64 0.416 6.134 1.605 1.00 0.00 C ATOM 1001 O PHE A 64 -0.139 5.139 2.078 1.00 0.00 O ATOM 1002 CB PHE A 64 2.372 6.229 3.051 1.00 0.00 C ATOM 1003 CG PHE A 64 3.083 6.814 4.226 1.00 0.00 C ATOM 1004 CD1 PHE A 64 3.973 7.849 4.084 1.00 0.00 C ATOM 1005 CD2 PHE A 64 2.848 6.309 5.482 1.00 0.00 C ATOM 1006 CE1 PHE A 64 4.614 8.367 5.183 1.00 0.00 C ATOM 1007 CE2 PHE A 64 3.469 6.809 6.577 1.00 0.00 C ATOM 1008 CZ PHE A 64 4.362 7.845 6.437 1.00 0.00 C ATOM 0 H PHE A 64 -0.091 6.796 4.125 1.00 0.00 H new ATOM 0 HA PHE A 64 1.583 7.914 1.969 1.00 0.00 H new ATOM 0 HB2 PHE A 64 2.003 5.242 3.329 1.00 0.00 H new ATOM 0 HB3 PHE A 64 3.095 6.084 2.249 1.00 0.00 H new ATOM 0 HD1 PHE A 64 4.170 8.258 3.104 1.00 0.00 H new ATOM 0 HD2 PHE A 64 2.151 5.493 5.599 1.00 0.00 H new ATOM 0 HE1 PHE A 64 5.314 9.181 5.067 1.00 0.00 H new ATOM 0 HE2 PHE A 64 3.264 6.397 7.554 1.00 0.00 H new ATOM 0 HZ PHE A 64 4.864 8.249 7.304 1.00 0.00 H new ATOM 1018 N TRP A 65 0.353 6.473 0.347 1.00 0.00 N ATOM 1019 CA TRP A 65 -0.315 5.665 -0.647 1.00 0.00 C ATOM 1020 C TRP A 65 0.392 4.332 -0.805 1.00 0.00 C ATOM 1021 O TRP A 65 1.633 4.279 -0.880 1.00 0.00 O ATOM 1022 CB TRP A 65 -0.274 6.335 -2.031 1.00 0.00 C ATOM 1023 CG TRP A 65 -0.974 7.649 -2.182 1.00 0.00 C ATOM 1024 CD1 TRP A 65 -0.399 8.852 -2.486 1.00 0.00 C ATOM 1025 CD2 TRP A 65 -2.378 7.891 -2.073 1.00 0.00 C ATOM 1026 NE1 TRP A 65 -1.363 9.820 -2.591 1.00 0.00 N ATOM 1027 CE2 TRP A 65 -2.586 9.258 -2.334 1.00 0.00 C ATOM 1028 CE3 TRP A 65 -3.484 7.082 -1.780 1.00 0.00 C ATOM 1029 CZ2 TRP A 65 -3.846 9.827 -2.317 1.00 0.00 C ATOM 1030 CZ3 TRP A 65 -4.734 7.655 -1.762 1.00 0.00 C ATOM 1031 CH2 TRP A 65 -4.905 9.014 -2.030 1.00 0.00 C ATOM 0 H TRP A 65 0.768 7.327 -0.026 1.00 0.00 H new ATOM 0 HA TRP A 65 -1.343 5.540 -0.307 1.00 0.00 H new ATOM 0 HB2 TRP A 65 0.771 6.477 -2.305 1.00 0.00 H new ATOM 0 HB3 TRP A 65 -0.702 5.641 -2.754 1.00 0.00 H new ATOM 0 HD1 TRP A 65 0.660 9.015 -2.623 1.00 0.00 H new ATOM 0 HE1 TRP A 65 -1.197 10.799 -2.823 1.00 0.00 H new ATOM 0 HE3 TRP A 65 -3.357 6.030 -1.573 1.00 0.00 H new ATOM 0 HZ2 TRP A 65 -3.988 10.878 -2.523 1.00 0.00 H new ATOM 0 HZ3 TRP A 65 -5.596 7.044 -1.537 1.00 0.00 H new ATOM 0 HH2 TRP A 65 -5.900 9.433 -2.010 1.00 0.00 H new ATOM 1042 N ILE A 66 -0.366 3.271 -0.832 1.00 0.00 N ATOM 1043 CA ILE A 66 0.185 1.994 -1.216 1.00 0.00 C ATOM 1044 C ILE A 66 -0.551 1.568 -2.472 1.00 0.00 C ATOM 1045 O ILE A 66 -1.574 2.170 -2.785 1.00 0.00 O ATOM 1046 CB ILE A 66 0.179 0.870 -0.106 1.00 0.00 C ATOM 1047 CG1 ILE A 66 -1.237 0.482 0.398 1.00 0.00 C ATOM 1048 CG2 ILE A 66 1.073 1.281 1.072 1.00 0.00 C ATOM 1049 CD1 ILE A 66 -1.848 1.418 1.424 1.00 0.00 C ATOM 0 H ILE A 66 -1.358 3.260 -0.596 1.00 0.00 H new ATOM 0 HA ILE A 66 1.253 2.126 -1.389 1.00 0.00 H new ATOM 0 HB ILE A 66 0.579 -0.024 -0.584 1.00 0.00 H new ATOM 0 HG12 ILE A 66 -1.906 0.427 -0.461 1.00 0.00 H new ATOM 0 HG13 ILE A 66 -1.188 -0.518 0.829 1.00 0.00 H new ATOM 0 HG21 ILE A 66 1.060 0.497 1.830 1.00 0.00 H new ATOM 0 HG22 ILE A 66 2.094 1.428 0.720 1.00 0.00 H new ATOM 0 HG23 ILE A 66 0.701 2.210 1.504 1.00 0.00 H new ATOM 0 HD11 ILE A 66 -2.836 1.053 1.707 1.00 0.00 H new ATOM 0 HD12 ILE A 66 -1.209 1.457 2.307 1.00 0.00 H new ATOM 0 HD13 ILE A 66 -1.939 2.417 0.997 1.00 0.00 H new ATOM 1061 N GLY A 67 -0.085 0.548 -3.177 1.00 0.00 N ATOM 1062 CA GLY A 67 -0.661 0.193 -4.493 1.00 0.00 C ATOM 1063 C GLY A 67 -2.039 -0.470 -4.446 1.00 0.00 C ATOM 1064 O GLY A 67 -2.344 -1.322 -5.273 1.00 0.00 O ATOM 0 H GLY A 67 0.683 -0.052 -2.875 1.00 0.00 H new ATOM 0 HA2 GLY A 67 -0.732 1.098 -5.096 1.00 0.00 H new ATOM 0 HA3 GLY A 67 0.029 -0.478 -5.004 1.00 0.00 H new ATOM 1068 N LEU A 68 -2.849 -0.058 -3.507 1.00 0.00 N ATOM 1069 CA LEU A 68 -4.167 -0.591 -3.297 1.00 0.00 C ATOM 1070 C LEU A 68 -5.204 0.225 -3.965 1.00 0.00 C ATOM 1071 O LEU A 68 -5.319 1.418 -3.697 1.00 0.00 O ATOM 1072 CB LEU A 68 -4.507 -0.628 -1.813 1.00 0.00 C ATOM 1073 CG LEU A 68 -4.115 -1.866 -1.062 1.00 0.00 C ATOM 1074 CD1 LEU A 68 -4.396 -1.686 0.423 1.00 0.00 C ATOM 1075 CD2 LEU A 68 -4.896 -3.048 -1.603 1.00 0.00 C ATOM 0 H LEU A 68 -2.601 0.680 -2.848 1.00 0.00 H new ATOM 0 HA LEU A 68 -4.159 -1.596 -3.718 1.00 0.00 H new ATOM 0 HB2 LEU A 68 -4.029 0.226 -1.333 1.00 0.00 H new ATOM 0 HB3 LEU A 68 -5.583 -0.492 -1.707 1.00 0.00 H new ATOM 0 HG LEU A 68 -3.048 -2.048 -1.193 1.00 0.00 H new ATOM 0 HD11 LEU A 68 -4.108 -2.590 0.960 1.00 0.00 H new ATOM 0 HD12 LEU A 68 -3.822 -0.840 0.802 1.00 0.00 H new ATOM 0 HD13 LEU A 68 -5.459 -1.499 0.572 1.00 0.00 H new ATOM 0 HD21 LEU A 68 -4.614 -3.950 -1.060 1.00 0.00 H new ATOM 0 HD22 LEU A 68 -5.963 -2.867 -1.477 1.00 0.00 H new ATOM 0 HD23 LEU A 68 -4.673 -3.178 -2.662 1.00 0.00 H new ATOM 1087 N ARG A 69 -5.958 -0.395 -4.810 1.00 0.00 N ATOM 1088 CA ARG A 69 -7.100 0.241 -5.372 1.00 0.00 C ATOM 1089 C ARG A 69 -8.236 -0.735 -5.370 1.00 0.00 C ATOM 1090 O ARG A 69 -8.051 -1.923 -5.686 1.00 0.00 O ATOM 1091 CB ARG A 69 -6.850 0.788 -6.787 1.00 0.00 C ATOM 1092 CG ARG A 69 -6.433 -0.249 -7.814 1.00 0.00 C ATOM 1093 CD ARG A 69 -6.389 0.350 -9.206 1.00 0.00 C ATOM 1094 NE ARG A 69 -7.696 0.906 -9.623 1.00 0.00 N ATOM 1095 CZ ARG A 69 -8.001 1.294 -10.867 1.00 0.00 C ATOM 1096 NH1 ARG A 69 -7.128 1.106 -11.858 1.00 0.00 N ATOM 1097 NH2 ARG A 69 -9.187 1.845 -11.120 1.00 0.00 N ATOM 0 H ARG A 69 -5.801 -1.351 -5.128 1.00 0.00 H new ATOM 0 HA ARG A 69 -7.342 1.110 -4.759 1.00 0.00 H new ATOM 0 HB2 ARG A 69 -7.759 1.278 -7.136 1.00 0.00 H new ATOM 0 HB3 ARG A 69 -6.076 1.554 -6.732 1.00 0.00 H new ATOM 0 HG2 ARG A 69 -5.452 -0.648 -7.555 1.00 0.00 H new ATOM 0 HG3 ARG A 69 -7.132 -1.085 -7.796 1.00 0.00 H new ATOM 0 HD2 ARG A 69 -5.636 1.138 -9.236 1.00 0.00 H new ATOM 0 HD3 ARG A 69 -6.079 -0.415 -9.918 1.00 0.00 H new ATOM 0 HE ARG A 69 -8.418 1.000 -8.909 1.00 0.00 H new ATOM 0 HH11 ARG A 69 -6.227 0.666 -11.668 1.00 0.00 H new ATOM 0 HH12 ARG A 69 -7.361 1.402 -12.806 1.00 0.00 H new ATOM 0 HH21 ARG A 69 -9.862 1.971 -10.366 1.00 0.00 H new ATOM 0 HH22 ARG A 69 -9.420 2.141 -12.068 1.00 0.00 H new ATOM 1111 N TYR A 70 -9.373 -0.291 -4.955 1.00 0.00 N ATOM 1112 CA TYR A 70 -10.520 -1.122 -5.002 1.00 0.00 C ATOM 1113 C TYR A 70 -11.078 -1.020 -6.389 1.00 0.00 C ATOM 1114 O TYR A 70 -11.505 0.035 -6.805 1.00 0.00 O ATOM 1115 CB TYR A 70 -11.537 -0.692 -3.961 1.00 0.00 C ATOM 1116 CG TYR A 70 -12.783 -1.524 -3.959 1.00 0.00 C ATOM 1117 CD1 TYR A 70 -12.760 -2.843 -3.588 1.00 0.00 C ATOM 1118 CD2 TYR A 70 -13.982 -0.976 -4.317 1.00 0.00 C ATOM 1119 CE1 TYR A 70 -13.908 -3.580 -3.582 1.00 0.00 C ATOM 1120 CE2 TYR A 70 -15.126 -1.692 -4.312 1.00 0.00 C ATOM 1121 CZ TYR A 70 -15.091 -2.996 -3.946 1.00 0.00 C ATOM 1122 OH TYR A 70 -16.243 -3.723 -3.941 1.00 0.00 O ATOM 0 H TYR A 70 -9.530 0.644 -4.579 1.00 0.00 H new ATOM 0 HA TYR A 70 -10.263 -2.156 -4.774 1.00 0.00 H new ATOM 0 HB2 TYR A 70 -11.077 -0.740 -2.974 1.00 0.00 H new ATOM 0 HB3 TYR A 70 -11.806 0.350 -4.137 1.00 0.00 H new ATOM 0 HD1 TYR A 70 -11.826 -3.302 -3.298 1.00 0.00 H new ATOM 0 HD2 TYR A 70 -14.015 0.062 -4.613 1.00 0.00 H new ATOM 0 HE1 TYR A 70 -13.883 -4.620 -3.291 1.00 0.00 H new ATOM 0 HE2 TYR A 70 -16.060 -1.230 -4.597 1.00 0.00 H new ATOM 0 HH TYR A 70 -16.989 -3.155 -4.225 1.00 0.00 H new ATOM 1132 N THR A 71 -11.033 -2.090 -7.101 1.00 0.00 N ATOM 1133 CA THR A 71 -11.429 -2.075 -8.468 1.00 0.00 C ATOM 1134 C THR A 71 -12.874 -2.479 -8.662 1.00 0.00 C ATOM 1135 O THR A 71 -13.313 -3.520 -8.152 1.00 0.00 O ATOM 1136 CB THR A 71 -10.499 -2.980 -9.294 1.00 0.00 C ATOM 1137 OG1 THR A 71 -10.271 -4.231 -8.590 1.00 0.00 O ATOM 1138 CG2 THR A 71 -9.169 -2.296 -9.551 1.00 0.00 C ATOM 0 H THR A 71 -10.722 -2.998 -6.756 1.00 0.00 H new ATOM 0 HA THR A 71 -11.343 -1.047 -8.819 1.00 0.00 H new ATOM 0 HB THR A 71 -10.981 -3.180 -10.251 1.00 0.00 H new ATOM 0 HG1 THR A 71 -9.409 -4.192 -8.125 1.00 0.00 H new ATOM 0 HG21 THR A 71 -8.528 -2.955 -10.137 1.00 0.00 H new ATOM 0 HG22 THR A 71 -9.336 -1.370 -10.101 1.00 0.00 H new ATOM 0 HG23 THR A 71 -8.686 -2.071 -8.600 1.00 0.00 H new ATOM 1146 N LEU A 72 -13.629 -1.627 -9.301 1.00 0.00 N ATOM 1147 CA LEU A 72 -14.952 -1.989 -9.732 1.00 0.00 C ATOM 1148 C LEU A 72 -15.077 -1.858 -11.239 1.00 0.00 C ATOM 1149 O LEU A 72 -14.527 -0.921 -11.826 1.00 0.00 O ATOM 1150 CB LEU A 72 -16.057 -1.224 -8.999 1.00 0.00 C ATOM 1151 CG LEU A 72 -16.284 -1.613 -7.538 1.00 0.00 C ATOM 1152 CD1 LEU A 72 -17.394 -0.798 -6.929 1.00 0.00 C ATOM 1153 CD2 LEU A 72 -16.636 -3.074 -7.430 1.00 0.00 C ATOM 0 H LEU A 72 -13.350 -0.674 -9.535 1.00 0.00 H new ATOM 0 HA LEU A 72 -15.097 -3.036 -9.464 1.00 0.00 H new ATOM 0 HB2 LEU A 72 -15.823 -0.160 -9.039 1.00 0.00 H new ATOM 0 HB3 LEU A 72 -16.992 -1.366 -9.542 1.00 0.00 H new ATOM 0 HG LEU A 72 -15.358 -1.417 -6.998 1.00 0.00 H new ATOM 0 HD11 LEU A 72 -17.535 -1.094 -5.890 1.00 0.00 H new ATOM 0 HD12 LEU A 72 -17.135 0.260 -6.973 1.00 0.00 H new ATOM 0 HD13 LEU A 72 -18.317 -0.969 -7.483 1.00 0.00 H new ATOM 0 HD21 LEU A 72 -16.794 -3.334 -6.383 1.00 0.00 H new ATOM 0 HD22 LEU A 72 -17.547 -3.271 -7.995 1.00 0.00 H new ATOM 0 HD23 LEU A 72 -15.822 -3.675 -7.834 1.00 0.00 H new ATOM 1165 N PRO A 73 -15.763 -2.796 -11.895 1.00 0.00 N ATOM 1166 CA PRO A 73 -16.379 -3.948 -11.247 1.00 0.00 C ATOM 1167 C PRO A 73 -15.383 -5.108 -11.053 1.00 0.00 C ATOM 1168 O PRO A 73 -14.720 -5.538 -11.997 1.00 0.00 O ATOM 1169 CB PRO A 73 -17.505 -4.347 -12.221 1.00 0.00 C ATOM 1170 CG PRO A 73 -17.387 -3.412 -13.393 1.00 0.00 C ATOM 1171 CD PRO A 73 -16.017 -2.811 -13.328 1.00 0.00 C ATOM 0 HA PRO A 73 -16.736 -3.714 -10.244 1.00 0.00 H new ATOM 0 HB2 PRO A 73 -17.399 -5.385 -12.537 1.00 0.00 H new ATOM 0 HB3 PRO A 73 -18.482 -4.257 -11.746 1.00 0.00 H new ATOM 0 HG2 PRO A 73 -17.530 -3.948 -14.331 1.00 0.00 H new ATOM 0 HG3 PRO A 73 -18.152 -2.637 -13.348 1.00 0.00 H new ATOM 0 HD2 PRO A 73 -15.282 -3.410 -13.867 1.00 0.00 H new ATOM 0 HD3 PRO A 73 -15.989 -1.810 -13.758 1.00 0.00 H new ATOM 1179 N ASP A 74 -15.314 -5.602 -9.832 1.00 0.00 N ATOM 1180 CA ASP A 74 -14.381 -6.667 -9.424 1.00 0.00 C ATOM 1181 C ASP A 74 -14.681 -7.025 -7.991 1.00 0.00 C ATOM 1182 O ASP A 74 -14.704 -8.198 -7.613 1.00 0.00 O ATOM 1183 CB ASP A 74 -12.928 -6.189 -9.531 1.00 0.00 C ATOM 1184 CG ASP A 74 -11.914 -7.205 -9.085 1.00 0.00 C ATOM 1185 OD1 ASP A 74 -11.600 -7.256 -7.901 1.00 0.00 O ATOM 1186 OD2 ASP A 74 -11.349 -7.914 -9.940 1.00 0.00 O ATOM 0 H ASP A 74 -15.911 -5.277 -9.072 1.00 0.00 H new ATOM 0 HA ASP A 74 -14.506 -7.530 -10.078 1.00 0.00 H new ATOM 0 HB2 ASP A 74 -12.722 -5.916 -10.566 1.00 0.00 H new ATOM 0 HB3 ASP A 74 -12.809 -5.286 -8.933 1.00 0.00 H new ATOM 1191 N MET A 75 -14.902 -5.974 -7.198 1.00 0.00 N ATOM 1192 CA MET A 75 -15.282 -6.064 -5.782 1.00 0.00 C ATOM 1193 C MET A 75 -14.171 -6.535 -4.869 1.00 0.00 C ATOM 1194 O MET A 75 -14.393 -6.811 -3.699 1.00 0.00 O ATOM 1195 CB MET A 75 -16.600 -6.823 -5.562 1.00 0.00 C ATOM 1196 CG MET A 75 -17.843 -5.950 -5.740 1.00 0.00 C ATOM 1197 SD MET A 75 -19.371 -6.904 -5.829 1.00 0.00 S ATOM 1198 CE MET A 75 -20.584 -5.588 -5.972 1.00 0.00 C ATOM 0 H MET A 75 -14.820 -5.013 -7.529 1.00 0.00 H new ATOM 0 HA MET A 75 -15.469 -5.033 -5.481 1.00 0.00 H new ATOM 0 HB2 MET A 75 -16.650 -7.659 -6.260 1.00 0.00 H new ATOM 0 HB3 MET A 75 -16.603 -7.246 -4.557 1.00 0.00 H new ATOM 0 HG2 MET A 75 -17.908 -5.247 -4.909 1.00 0.00 H new ATOM 0 HG3 MET A 75 -17.737 -5.359 -6.650 1.00 0.00 H new ATOM 0 HE1 MET A 75 -21.583 -6.019 -6.037 1.00 0.00 H new ATOM 0 HE2 MET A 75 -20.524 -4.941 -5.097 1.00 0.00 H new ATOM 0 HE3 MET A 75 -20.382 -5.003 -6.869 1.00 0.00 H new ATOM 1208 N ASN A 76 -12.974 -6.541 -5.373 1.00 0.00 N ATOM 1209 CA ASN A 76 -11.817 -6.818 -4.569 1.00 0.00 C ATOM 1210 C ASN A 76 -10.765 -5.760 -4.768 1.00 0.00 C ATOM 1211 O ASN A 76 -10.809 -4.970 -5.738 1.00 0.00 O ATOM 1212 CB ASN A 76 -11.236 -8.208 -4.838 1.00 0.00 C ATOM 1213 CG ASN A 76 -11.816 -9.303 -3.952 1.00 0.00 C ATOM 1214 OD1 ASN A 76 -12.828 -9.934 -4.277 1.00 0.00 O ATOM 1215 ND2 ASN A 76 -11.144 -9.563 -2.837 1.00 0.00 N ATOM 0 H ASN A 76 -12.769 -6.354 -6.355 1.00 0.00 H new ATOM 0 HA ASN A 76 -12.144 -6.803 -3.529 1.00 0.00 H new ATOM 0 HB2 ASN A 76 -11.411 -8.468 -5.882 1.00 0.00 H new ATOM 0 HB3 ASN A 76 -10.156 -8.173 -4.695 1.00 0.00 H new ATOM 0 HD21 ASN A 76 -11.459 -10.306 -2.213 1.00 0.00 H new ATOM 0 HD22 ASN A 76 -10.313 -9.019 -2.604 1.00 0.00 H new ATOM 1222 N TRP A 77 -9.849 -5.717 -3.841 1.00 0.00 N ATOM 1223 CA TRP A 77 -8.748 -4.806 -3.879 1.00 0.00 C ATOM 1224 C TRP A 77 -7.597 -5.456 -4.580 1.00 0.00 C ATOM 1225 O TRP A 77 -7.041 -6.469 -4.097 1.00 0.00 O ATOM 1226 CB TRP A 77 -8.315 -4.424 -2.472 1.00 0.00 C ATOM 1227 CG TRP A 77 -9.293 -3.593 -1.717 1.00 0.00 C ATOM 1228 CD1 TRP A 77 -10.452 -4.004 -1.136 1.00 0.00 C ATOM 1229 CD2 TRP A 77 -9.174 -2.201 -1.434 1.00 0.00 C ATOM 1230 NE1 TRP A 77 -11.069 -2.947 -0.536 1.00 0.00 N ATOM 1231 CE2 TRP A 77 -10.306 -1.828 -0.698 1.00 0.00 C ATOM 1232 CE3 TRP A 77 -8.220 -1.235 -1.738 1.00 0.00 C ATOM 1233 CZ2 TRP A 77 -10.517 -0.523 -0.261 1.00 0.00 C ATOM 1234 CZ3 TRP A 77 -8.424 0.060 -1.305 1.00 0.00 C ATOM 1235 CH2 TRP A 77 -9.565 0.406 -0.576 1.00 0.00 C ATOM 0 H TRP A 77 -9.850 -6.327 -3.024 1.00 0.00 H new ATOM 0 HA TRP A 77 -9.059 -3.906 -4.409 1.00 0.00 H new ATOM 0 HB2 TRP A 77 -8.123 -5.336 -1.907 1.00 0.00 H new ATOM 0 HB3 TRP A 77 -7.371 -3.882 -2.533 1.00 0.00 H new ATOM 0 HD1 TRP A 77 -10.827 -5.017 -1.148 1.00 0.00 H new ATOM 0 HE1 TRP A 77 -11.961 -2.987 -0.043 1.00 0.00 H new ATOM 0 HE3 TRP A 77 -7.336 -1.493 -2.302 1.00 0.00 H new ATOM 0 HZ2 TRP A 77 -11.398 -0.255 0.304 1.00 0.00 H new ATOM 0 HZ3 TRP A 77 -7.690 0.818 -1.533 1.00 0.00 H new ATOM 0 HH2 TRP A 77 -9.697 1.429 -0.255 1.00 0.00 H new ATOM 1246 N LYS A 78 -7.245 -4.925 -5.703 1.00 0.00 N ATOM 1247 CA LYS A 78 -6.140 -5.441 -6.427 1.00 0.00 C ATOM 1248 C LYS A 78 -5.021 -4.464 -6.407 1.00 0.00 C ATOM 1249 O LYS A 78 -5.232 -3.238 -6.236 1.00 0.00 O ATOM 1250 CB LYS A 78 -6.486 -5.844 -7.865 1.00 0.00 C ATOM 1251 CG LYS A 78 -7.459 -7.013 -7.964 1.00 0.00 C ATOM 1252 CD LYS A 78 -7.484 -7.611 -9.374 1.00 0.00 C ATOM 1253 CE LYS A 78 -7.912 -6.613 -10.443 1.00 0.00 C ATOM 1254 NZ LYS A 78 -9.301 -6.161 -10.271 1.00 0.00 N ATOM 0 H LYS A 78 -7.712 -4.129 -6.138 1.00 0.00 H new ATOM 0 HA LYS A 78 -5.835 -6.360 -5.926 1.00 0.00 H new ATOM 0 HB2 LYS A 78 -6.914 -4.984 -8.380 1.00 0.00 H new ATOM 0 HB3 LYS A 78 -5.567 -6.104 -8.390 1.00 0.00 H new ATOM 0 HG2 LYS A 78 -7.176 -7.784 -7.247 1.00 0.00 H new ATOM 0 HG3 LYS A 78 -8.460 -6.677 -7.693 1.00 0.00 H new ATOM 0 HD2 LYS A 78 -6.492 -7.991 -9.618 1.00 0.00 H new ATOM 0 HD3 LYS A 78 -8.164 -8.463 -9.388 1.00 0.00 H new ATOM 0 HE2 LYS A 78 -7.247 -5.750 -10.416 1.00 0.00 H new ATOM 0 HE3 LYS A 78 -7.802 -7.070 -11.426 1.00 0.00 H new ATOM 0 HZ1 LYS A 78 -9.586 -5.593 -11.094 1.00 0.00 H new ATOM 0 HZ2 LYS A 78 -9.927 -6.987 -10.188 1.00 0.00 H new ATOM 0 HZ3 LYS A 78 -9.374 -5.583 -9.409 1.00 0.00 H new ATOM 1268 N TRP A 79 -3.847 -4.987 -6.513 1.00 0.00 N ATOM 1269 CA TRP A 79 -2.679 -4.193 -6.534 1.00 0.00 C ATOM 1270 C TRP A 79 -2.233 -4.002 -7.959 1.00 0.00 C ATOM 1271 O TRP A 79 -2.543 -4.825 -8.825 1.00 0.00 O ATOM 1272 CB TRP A 79 -1.562 -4.849 -5.782 1.00 0.00 C ATOM 1273 CG TRP A 79 -1.839 -5.200 -4.359 1.00 0.00 C ATOM 1274 CD1 TRP A 79 -2.382 -6.343 -3.904 1.00 0.00 C ATOM 1275 CD2 TRP A 79 -1.557 -4.417 -3.210 1.00 0.00 C ATOM 1276 NE1 TRP A 79 -2.446 -6.330 -2.553 1.00 0.00 N ATOM 1277 CE2 TRP A 79 -1.960 -5.158 -2.099 1.00 0.00 C ATOM 1278 CE3 TRP A 79 -1.008 -3.169 -3.009 1.00 0.00 C ATOM 1279 CZ2 TRP A 79 -1.834 -4.691 -0.814 1.00 0.00 C ATOM 1280 CZ3 TRP A 79 -0.885 -2.701 -1.728 1.00 0.00 C ATOM 1281 CH2 TRP A 79 -1.295 -3.461 -0.651 1.00 0.00 C ATOM 0 H TRP A 79 -3.676 -5.990 -6.588 1.00 0.00 H new ATOM 0 HA TRP A 79 -2.914 -3.238 -6.064 1.00 0.00 H new ATOM 0 HB2 TRP A 79 -1.283 -5.760 -6.311 1.00 0.00 H new ATOM 0 HB3 TRP A 79 -0.697 -4.187 -5.809 1.00 0.00 H new ATOM 0 HD1 TRP A 79 -2.719 -7.157 -4.529 1.00 0.00 H new ATOM 0 HE1 TRP A 79 -2.805 -7.087 -1.971 1.00 0.00 H new ATOM 0 HE3 TRP A 79 -0.681 -2.571 -3.847 1.00 0.00 H new ATOM 0 HZ2 TRP A 79 -2.152 -5.282 0.032 1.00 0.00 H new ATOM 0 HZ3 TRP A 79 -0.461 -1.723 -1.558 1.00 0.00 H new ATOM 0 HH2 TRP A 79 -1.183 -3.064 0.347 1.00 0.00 H new ATOM 1292 N ILE A 80 -1.434 -2.985 -8.170 1.00 0.00 N ATOM 1293 CA ILE A 80 -0.942 -2.604 -9.496 1.00 0.00 C ATOM 1294 C ILE A 80 -0.141 -3.709 -10.214 1.00 0.00 C ATOM 1295 O ILE A 80 -0.146 -3.769 -11.431 1.00 0.00 O ATOM 1296 CB ILE A 80 -0.083 -1.326 -9.443 1.00 0.00 C ATOM 1297 CG1 ILE A 80 1.176 -1.561 -8.600 1.00 0.00 C ATOM 1298 CG2 ILE A 80 -0.904 -0.176 -8.872 1.00 0.00 C ATOM 1299 CD1 ILE A 80 2.173 -0.443 -8.677 1.00 0.00 C ATOM 0 H ILE A 80 -1.095 -2.381 -7.421 1.00 0.00 H new ATOM 0 HA ILE A 80 -1.848 -2.424 -10.075 1.00 0.00 H new ATOM 0 HB ILE A 80 0.230 -1.067 -10.455 1.00 0.00 H new ATOM 0 HG12 ILE A 80 0.884 -1.704 -7.560 1.00 0.00 H new ATOM 0 HG13 ILE A 80 1.654 -2.485 -8.927 1.00 0.00 H new ATOM 0 HG21 ILE A 80 -0.292 0.725 -8.837 1.00 0.00 H new ATOM 0 HG22 ILE A 80 -1.773 0.000 -9.506 1.00 0.00 H new ATOM 0 HG23 ILE A 80 -1.235 -0.430 -7.865 1.00 0.00 H new ATOM 0 HD11 ILE A 80 3.036 -0.681 -8.055 1.00 0.00 H new ATOM 0 HD12 ILE A 80 2.495 -0.313 -9.710 1.00 0.00 H new ATOM 0 HD13 ILE A 80 1.714 0.479 -8.322 1.00 0.00 H new ATOM 1311 N ASN A 81 0.543 -4.589 -9.476 1.00 0.00 N ATOM 1312 CA ASN A 81 1.315 -5.630 -10.163 1.00 0.00 C ATOM 1313 C ASN A 81 0.427 -6.832 -10.485 1.00 0.00 C ATOM 1314 O ASN A 81 0.869 -7.822 -11.058 1.00 0.00 O ATOM 1315 CB ASN A 81 2.643 -6.040 -9.405 1.00 0.00 C ATOM 1316 CG ASN A 81 2.522 -6.985 -8.195 1.00 0.00 C ATOM 1317 OD1 ASN A 81 3.211 -6.808 -7.220 1.00 0.00 O ATOM 1318 ND2 ASN A 81 1.804 -8.057 -8.312 1.00 0.00 N ATOM 0 H ASN A 81 0.580 -4.606 -8.457 1.00 0.00 H new ATOM 0 HA ASN A 81 1.658 -5.201 -11.105 1.00 0.00 H new ATOM 0 HB2 ASN A 81 3.310 -6.508 -10.129 1.00 0.00 H new ATOM 0 HB3 ASN A 81 3.131 -5.126 -9.067 1.00 0.00 H new ATOM 0 HD21 ASN A 81 1.817 -8.762 -7.575 1.00 0.00 H new ATOM 0 HD22 ASN A 81 1.226 -8.195 -9.141 1.00 0.00 H new ATOM 1325 N GLY A 82 -0.821 -6.768 -10.051 1.00 0.00 N ATOM 1326 CA GLY A 82 -1.750 -7.832 -10.330 1.00 0.00 C ATOM 1327 C GLY A 82 -1.959 -8.691 -9.124 1.00 0.00 C ATOM 1328 O GLY A 82 -2.556 -9.762 -9.203 1.00 0.00 O ATOM 0 H GLY A 82 -1.205 -5.994 -9.509 1.00 0.00 H new ATOM 0 HA2 GLY A 82 -2.703 -7.412 -10.652 1.00 0.00 H new ATOM 0 HA3 GLY A 82 -1.375 -8.440 -11.153 1.00 0.00 H new ATOM 1332 N SER A 83 -1.427 -8.243 -8.018 1.00 0.00 N ATOM 1333 CA SER A 83 -1.557 -8.923 -6.767 1.00 0.00 C ATOM 1334 C SER A 83 -2.932 -8.743 -6.138 1.00 0.00 C ATOM 1335 O SER A 83 -3.783 -7.993 -6.634 1.00 0.00 O ATOM 1336 CB SER A 83 -0.466 -8.480 -5.812 1.00 0.00 C ATOM 1337 OG SER A 83 0.763 -9.105 -6.106 1.00 0.00 O ATOM 0 H SER A 83 -0.884 -7.381 -7.965 1.00 0.00 H new ATOM 0 HA SER A 83 -1.446 -9.988 -6.969 1.00 0.00 H new ATOM 0 HB2 SER A 83 -0.348 -7.398 -5.869 1.00 0.00 H new ATOM 0 HB3 SER A 83 -0.759 -8.715 -4.789 1.00 0.00 H new ATOM 0 HG SER A 83 0.859 -9.912 -5.558 1.00 0.00 H new ATOM 1343 N THR A 84 -3.111 -9.395 -5.032 1.00 0.00 N ATOM 1344 CA THR A 84 -4.344 -9.439 -4.335 1.00 0.00 C ATOM 1345 C THR A 84 -4.112 -9.104 -2.852 1.00 0.00 C ATOM 1346 O THR A 84 -3.142 -9.558 -2.265 1.00 0.00 O ATOM 1347 CB THR A 84 -4.901 -10.846 -4.524 1.00 0.00 C ATOM 1348 OG1 THR A 84 -5.206 -11.032 -5.919 1.00 0.00 O ATOM 1349 CG2 THR A 84 -6.116 -11.112 -3.678 1.00 0.00 C ATOM 0 H THR A 84 -2.370 -9.929 -4.578 1.00 0.00 H new ATOM 0 HA THR A 84 -5.057 -8.707 -4.714 1.00 0.00 H new ATOM 0 HB THR A 84 -4.144 -11.559 -4.197 1.00 0.00 H new ATOM 0 HG1 THR A 84 -5.564 -11.934 -6.058 1.00 0.00 H new ATOM 0 HG21 THR A 84 -6.467 -12.129 -3.855 1.00 0.00 H new ATOM 0 HG22 THR A 84 -5.859 -10.995 -2.625 1.00 0.00 H new ATOM 0 HG23 THR A 84 -6.903 -10.405 -3.940 1.00 0.00 H new ATOM 1357 N LEU A 85 -4.959 -8.248 -2.307 1.00 0.00 N ATOM 1358 CA LEU A 85 -4.863 -7.783 -0.917 1.00 0.00 C ATOM 1359 C LEU A 85 -5.292 -8.822 0.103 1.00 0.00 C ATOM 1360 O LEU A 85 -6.317 -9.488 -0.064 1.00 0.00 O ATOM 1361 CB LEU A 85 -5.751 -6.542 -0.725 1.00 0.00 C ATOM 1362 CG LEU A 85 -5.897 -6.015 0.724 1.00 0.00 C ATOM 1363 CD1 LEU A 85 -4.596 -5.456 1.267 1.00 0.00 C ATOM 1364 CD2 LEU A 85 -7.008 -4.992 0.823 1.00 0.00 C ATOM 0 H LEU A 85 -5.746 -7.846 -2.816 1.00 0.00 H new ATOM 0 HA LEU A 85 -3.809 -7.562 -0.747 1.00 0.00 H new ATOM 0 HB2 LEU A 85 -5.351 -5.737 -1.342 1.00 0.00 H new ATOM 0 HB3 LEU A 85 -6.746 -6.772 -1.106 1.00 0.00 H new ATOM 0 HG LEU A 85 -6.162 -6.870 1.346 1.00 0.00 H new ATOM 0 HD11 LEU A 85 -4.750 -5.099 2.285 1.00 0.00 H new ATOM 0 HD12 LEU A 85 -3.836 -6.238 1.267 1.00 0.00 H new ATOM 0 HD13 LEU A 85 -4.265 -4.629 0.639 1.00 0.00 H new ATOM 0 HD21 LEU A 85 -7.088 -4.640 1.851 1.00 0.00 H new ATOM 0 HD22 LEU A 85 -6.787 -4.150 0.167 1.00 0.00 H new ATOM 0 HD23 LEU A 85 -7.951 -5.449 0.522 1.00 0.00 H new ATOM 1376 N ASN A 86 -4.509 -8.936 1.162 1.00 0.00 N ATOM 1377 CA ASN A 86 -4.921 -9.667 2.328 1.00 0.00 C ATOM 1378 C ASN A 86 -5.605 -8.647 3.212 1.00 0.00 C ATOM 1379 O ASN A 86 -4.958 -7.930 3.976 1.00 0.00 O ATOM 1380 CB ASN A 86 -3.737 -10.279 3.095 1.00 0.00 C ATOM 1381 CG ASN A 86 -4.182 -11.189 4.244 1.00 0.00 C ATOM 1382 OD1 ASN A 86 -4.430 -10.738 5.361 1.00 0.00 O ATOM 1383 ND2 ASN A 86 -4.264 -12.468 3.983 1.00 0.00 N ATOM 0 H ASN A 86 -3.578 -8.525 1.229 1.00 0.00 H new ATOM 0 HA ASN A 86 -5.563 -10.500 2.040 1.00 0.00 H new ATOM 0 HB2 ASN A 86 -3.118 -10.851 2.403 1.00 0.00 H new ATOM 0 HB3 ASN A 86 -3.114 -9.478 3.492 1.00 0.00 H new ATOM 0 HD21 ASN A 86 -4.540 -13.121 4.716 1.00 0.00 H new ATOM 0 HD22 ASN A 86 -4.052 -12.812 3.046 1.00 0.00 H new ATOM 1390 N SER A 87 -6.895 -8.513 3.048 1.00 0.00 N ATOM 1391 CA SER A 87 -7.658 -7.510 3.765 1.00 0.00 C ATOM 1392 C SER A 87 -7.779 -7.849 5.251 1.00 0.00 C ATOM 1393 O SER A 87 -8.161 -7.024 6.068 1.00 0.00 O ATOM 1394 CB SER A 87 -9.029 -7.368 3.100 1.00 0.00 C ATOM 1395 OG SER A 87 -9.668 -8.645 2.958 1.00 0.00 O ATOM 0 H SER A 87 -7.450 -9.091 2.417 1.00 0.00 H new ATOM 0 HA SER A 87 -7.136 -6.555 3.715 1.00 0.00 H new ATOM 0 HB2 SER A 87 -9.659 -6.707 3.695 1.00 0.00 H new ATOM 0 HB3 SER A 87 -8.915 -6.904 2.120 1.00 0.00 H new ATOM 0 HG SER A 87 -10.543 -8.527 2.532 1.00 0.00 H new ATOM 1401 N ASP A 88 -7.406 -9.055 5.583 1.00 0.00 N ATOM 1402 CA ASP A 88 -7.515 -9.572 6.925 1.00 0.00 C ATOM 1403 C ASP A 88 -6.425 -9.060 7.852 1.00 0.00 C ATOM 1404 O ASP A 88 -6.448 -9.364 9.045 1.00 0.00 O ATOM 1405 CB ASP A 88 -7.539 -11.103 6.917 1.00 0.00 C ATOM 1406 CG ASP A 88 -8.808 -11.665 6.316 1.00 0.00 C ATOM 1407 OD1 ASP A 88 -8.977 -11.603 5.082 1.00 0.00 O ATOM 1408 OD2 ASP A 88 -9.670 -12.161 7.075 1.00 0.00 O ATOM 0 H ASP A 88 -7.010 -9.720 4.918 1.00 0.00 H new ATOM 0 HA ASP A 88 -8.460 -9.202 7.321 1.00 0.00 H new ATOM 0 HB2 ASP A 88 -6.681 -11.473 6.355 1.00 0.00 H new ATOM 0 HB3 ASP A 88 -7.433 -11.469 7.938 1.00 0.00 H new ATOM 1413 N VAL A 89 -5.479 -8.281 7.329 1.00 0.00 N ATOM 1414 CA VAL A 89 -4.412 -7.760 8.170 1.00 0.00 C ATOM 1415 C VAL A 89 -4.901 -6.613 9.075 1.00 0.00 C ATOM 1416 O VAL A 89 -4.676 -6.640 10.279 1.00 0.00 O ATOM 1417 CB VAL A 89 -3.137 -7.306 7.356 1.00 0.00 C ATOM 1418 CG1 VAL A 89 -2.596 -8.431 6.509 1.00 0.00 C ATOM 1419 CG2 VAL A 89 -3.401 -6.083 6.492 1.00 0.00 C ATOM 0 H VAL A 89 -5.432 -8.004 6.349 1.00 0.00 H new ATOM 0 HA VAL A 89 -4.110 -8.597 8.799 1.00 0.00 H new ATOM 0 HB VAL A 89 -2.387 -7.030 8.097 1.00 0.00 H new ATOM 0 HG11 VAL A 89 -1.719 -8.085 5.962 1.00 0.00 H new ATOM 0 HG12 VAL A 89 -2.317 -9.267 7.150 1.00 0.00 H new ATOM 0 HG13 VAL A 89 -3.360 -8.754 5.802 1.00 0.00 H new ATOM 0 HG21 VAL A 89 -2.492 -5.814 5.955 1.00 0.00 H new ATOM 0 HG22 VAL A 89 -4.193 -6.307 5.777 1.00 0.00 H new ATOM 0 HG23 VAL A 89 -3.708 -5.250 7.124 1.00 0.00 H new ATOM 1429 N LEU A 90 -5.630 -5.663 8.506 1.00 0.00 N ATOM 1430 CA LEU A 90 -6.016 -4.437 9.197 1.00 0.00 C ATOM 1431 C LEU A 90 -7.311 -3.923 8.633 1.00 0.00 C ATOM 1432 O LEU A 90 -7.898 -4.563 7.764 1.00 0.00 O ATOM 1433 CB LEU A 90 -4.926 -3.355 9.049 1.00 0.00 C ATOM 1434 CG LEU A 90 -3.581 -3.644 9.716 1.00 0.00 C ATOM 1435 CD1 LEU A 90 -2.578 -2.562 9.384 1.00 0.00 C ATOM 1436 CD2 LEU A 90 -3.748 -3.728 11.211 1.00 0.00 C ATOM 0 H LEU A 90 -5.973 -5.720 7.547 1.00 0.00 H new ATOM 0 HA LEU A 90 -6.139 -4.665 10.256 1.00 0.00 H new ATOM 0 HB2 LEU A 90 -4.751 -3.191 7.986 1.00 0.00 H new ATOM 0 HB3 LEU A 90 -5.315 -2.422 9.456 1.00 0.00 H new ATOM 0 HG LEU A 90 -3.213 -4.598 9.338 1.00 0.00 H new ATOM 0 HD11 LEU A 90 -1.627 -2.786 9.868 1.00 0.00 H new ATOM 0 HD12 LEU A 90 -2.434 -2.518 8.304 1.00 0.00 H new ATOM 0 HD13 LEU A 90 -2.949 -1.601 9.740 1.00 0.00 H new ATOM 0 HD21 LEU A 90 -2.783 -3.934 11.674 1.00 0.00 H new ATOM 0 HD22 LEU A 90 -4.136 -2.782 11.587 1.00 0.00 H new ATOM 0 HD23 LEU A 90 -4.446 -4.529 11.455 1.00 0.00 H new ATOM 1448 N LYS A 91 -7.761 -2.785 9.133 1.00 0.00 N ATOM 1449 CA LYS A 91 -9.014 -2.195 8.699 1.00 0.00 C ATOM 1450 C LYS A 91 -9.037 -1.710 7.261 1.00 0.00 C ATOM 1451 O LYS A 91 -8.624 -0.594 6.954 1.00 0.00 O ATOM 1452 CB LYS A 91 -9.509 -1.099 9.620 1.00 0.00 C ATOM 1453 CG LYS A 91 -8.506 0.000 9.949 1.00 0.00 C ATOM 1454 CD LYS A 91 -9.163 1.101 10.762 1.00 0.00 C ATOM 1455 CE LYS A 91 -10.185 1.876 9.936 1.00 0.00 C ATOM 1456 NZ LYS A 91 -9.553 2.613 8.817 1.00 0.00 N ATOM 0 H LYS A 91 -7.271 -2.247 9.847 1.00 0.00 H new ATOM 0 HA LYS A 91 -9.704 -3.037 8.752 1.00 0.00 H new ATOM 0 HB2 LYS A 91 -10.386 -0.639 9.166 1.00 0.00 H new ATOM 0 HB3 LYS A 91 -9.836 -1.556 10.554 1.00 0.00 H new ATOM 0 HG2 LYS A 91 -7.669 -0.420 10.506 1.00 0.00 H new ATOM 0 HG3 LYS A 91 -8.099 0.415 9.027 1.00 0.00 H new ATOM 0 HD2 LYS A 91 -9.653 0.667 11.634 1.00 0.00 H new ATOM 0 HD3 LYS A 91 -8.400 1.785 11.133 1.00 0.00 H new ATOM 0 HE2 LYS A 91 -10.929 1.185 9.540 1.00 0.00 H new ATOM 0 HE3 LYS A 91 -10.713 2.579 10.580 1.00 0.00 H new ATOM 0 HZ1 LYS A 91 -9.696 3.635 8.950 1.00 0.00 H new ATOM 0 HZ2 LYS A 91 -8.534 2.406 8.796 1.00 0.00 H new ATOM 0 HZ3 LYS A 91 -9.985 2.317 7.918 1.00 0.00 H new ATOM 1470 N ILE A 92 -9.495 -2.554 6.396 1.00 0.00 N ATOM 1471 CA ILE A 92 -9.711 -2.227 5.019 1.00 0.00 C ATOM 1472 C ILE A 92 -11.008 -2.915 4.638 1.00 0.00 C ATOM 1473 O ILE A 92 -11.087 -4.151 4.668 1.00 0.00 O ATOM 1474 CB ILE A 92 -8.587 -2.779 4.104 1.00 0.00 C ATOM 1475 CG1 ILE A 92 -7.217 -2.413 4.683 1.00 0.00 C ATOM 1476 CG2 ILE A 92 -8.751 -2.211 2.690 1.00 0.00 C ATOM 1477 CD1 ILE A 92 -6.048 -2.695 3.768 1.00 0.00 C ATOM 0 H ILE A 92 -9.737 -3.517 6.631 1.00 0.00 H new ATOM 0 HA ILE A 92 -9.732 -1.144 4.893 1.00 0.00 H new ATOM 0 HB ILE A 92 -8.658 -3.866 4.053 1.00 0.00 H new ATOM 0 HG12 ILE A 92 -7.216 -1.352 4.935 1.00 0.00 H new ATOM 0 HG13 ILE A 92 -7.073 -2.962 5.614 1.00 0.00 H new ATOM 0 HG21 ILE A 92 -7.961 -2.600 2.048 1.00 0.00 H new ATOM 0 HG22 ILE A 92 -9.721 -2.505 2.290 1.00 0.00 H new ATOM 0 HG23 ILE A 92 -8.688 -1.123 2.725 1.00 0.00 H new ATOM 0 HD11 ILE A 92 -5.121 -2.404 4.262 1.00 0.00 H new ATOM 0 HD12 ILE A 92 -6.017 -3.759 3.535 1.00 0.00 H new ATOM 0 HD13 ILE A 92 -6.162 -2.125 2.846 1.00 0.00 H new ATOM 1489 N THR A 93 -12.030 -2.143 4.385 1.00 0.00 N ATOM 1490 CA THR A 93 -13.328 -2.663 4.012 1.00 0.00 C ATOM 1491 C THR A 93 -13.214 -3.441 2.699 1.00 0.00 C ATOM 1492 O THR A 93 -12.418 -3.086 1.844 1.00 0.00 O ATOM 1493 CB THR A 93 -14.280 -1.489 3.830 1.00 0.00 C ATOM 1494 OG1 THR A 93 -14.114 -0.611 4.956 1.00 0.00 O ATOM 1495 CG2 THR A 93 -15.727 -1.959 3.772 1.00 0.00 C ATOM 0 H THR A 93 -11.990 -1.125 4.431 1.00 0.00 H new ATOM 0 HA THR A 93 -13.701 -3.333 4.787 1.00 0.00 H new ATOM 0 HB THR A 93 -14.053 -0.981 2.893 1.00 0.00 H new ATOM 0 HG1 THR A 93 -13.468 0.090 4.731 1.00 0.00 H new ATOM 0 HG21 THR A 93 -16.384 -1.099 3.642 1.00 0.00 H new ATOM 0 HG22 THR A 93 -15.854 -2.643 2.933 1.00 0.00 H new ATOM 0 HG23 THR A 93 -15.980 -2.472 4.700 1.00 0.00 H new ATOM 1503 N GLY A 94 -14.025 -4.465 2.531 1.00 0.00 N ATOM 1504 CA GLY A 94 -13.920 -5.270 1.378 1.00 0.00 C ATOM 1505 C GLY A 94 -14.644 -4.617 0.267 1.00 0.00 C ATOM 1506 O GLY A 94 -14.028 -4.046 -0.618 1.00 0.00 O ATOM 0 H GLY A 94 -14.755 -4.742 3.188 1.00 0.00 H new ATOM 0 HA2 GLY A 94 -12.872 -5.412 1.112 1.00 0.00 H new ATOM 0 HA3 GLY A 94 -14.337 -6.258 1.570 1.00 0.00 H new ATOM 1510 N ASP A 95 -15.947 -4.605 0.333 1.00 0.00 N ATOM 1511 CA ASP A 95 -16.674 -3.928 -0.683 1.00 0.00 C ATOM 1512 C ASP A 95 -17.082 -2.556 -0.232 1.00 0.00 C ATOM 1513 O ASP A 95 -18.128 -2.343 0.365 1.00 0.00 O ATOM 1514 CB ASP A 95 -17.800 -4.745 -1.382 1.00 0.00 C ATOM 1515 CG ASP A 95 -18.947 -5.212 -0.505 1.00 0.00 C ATOM 1516 OD1 ASP A 95 -18.727 -6.095 0.370 1.00 0.00 O ATOM 1517 OD2 ASP A 95 -20.101 -4.755 -0.722 1.00 0.00 O ATOM 0 H ASP A 95 -16.507 -5.046 1.062 1.00 0.00 H new ATOM 0 HA ASP A 95 -15.971 -3.802 -1.507 1.00 0.00 H new ATOM 0 HB2 ASP A 95 -18.213 -4.136 -2.187 1.00 0.00 H new ATOM 0 HB3 ASP A 95 -17.347 -5.621 -1.845 1.00 0.00 H new ATOM 1522 N THR A 96 -16.179 -1.623 -0.471 1.00 0.00 N ATOM 1523 CA THR A 96 -16.356 -0.241 -0.077 1.00 0.00 C ATOM 1524 C THR A 96 -17.245 0.499 -1.092 1.00 0.00 C ATOM 1525 O THR A 96 -17.621 1.647 -0.883 1.00 0.00 O ATOM 1526 CB THR A 96 -14.973 0.465 0.092 1.00 0.00 C ATOM 1527 OG1 THR A 96 -15.127 1.751 0.677 1.00 0.00 O ATOM 1528 CG2 THR A 96 -14.287 0.630 -1.245 1.00 0.00 C ATOM 0 H THR A 96 -15.296 -1.806 -0.948 1.00 0.00 H new ATOM 0 HA THR A 96 -16.860 -0.216 0.889 1.00 0.00 H new ATOM 0 HB THR A 96 -14.368 -0.165 0.743 1.00 0.00 H new ATOM 0 HG1 THR A 96 -14.368 1.934 1.269 1.00 0.00 H new ATOM 0 HG21 THR A 96 -13.326 1.124 -1.102 1.00 0.00 H new ATOM 0 HG22 THR A 96 -14.128 -0.350 -1.696 1.00 0.00 H new ATOM 0 HG23 THR A 96 -14.912 1.235 -1.902 1.00 0.00 H new ATOM 1536 N GLU A 97 -17.532 -0.182 -2.215 1.00 0.00 N ATOM 1537 CA GLU A 97 -18.452 0.280 -3.275 1.00 0.00 C ATOM 1538 C GLU A 97 -17.894 1.461 -4.099 1.00 0.00 C ATOM 1539 O GLU A 97 -18.485 1.867 -5.091 1.00 0.00 O ATOM 1540 CB GLU A 97 -19.846 0.594 -2.695 1.00 0.00 C ATOM 1541 CG GLU A 97 -20.382 -0.524 -1.801 1.00 0.00 C ATOM 1542 CD GLU A 97 -21.773 -0.275 -1.301 1.00 0.00 C ATOM 1543 OE1 GLU A 97 -21.986 0.674 -0.524 1.00 0.00 O ATOM 1544 OE2 GLU A 97 -22.681 -1.043 -1.653 1.00 0.00 O ATOM 0 H GLU A 97 -17.121 -1.093 -2.418 1.00 0.00 H new ATOM 0 HA GLU A 97 -18.553 -0.545 -3.980 1.00 0.00 H new ATOM 0 HB2 GLU A 97 -19.795 1.519 -2.121 1.00 0.00 H new ATOM 0 HB3 GLU A 97 -20.545 0.765 -3.514 1.00 0.00 H new ATOM 0 HG2 GLU A 97 -20.367 -1.462 -2.357 1.00 0.00 H new ATOM 0 HG3 GLU A 97 -19.715 -0.648 -0.948 1.00 0.00 H new ATOM 1551 N ASN A 98 -16.747 1.966 -3.707 1.00 0.00 N ATOM 1552 CA ASN A 98 -16.092 3.067 -4.407 1.00 0.00 C ATOM 1553 C ASN A 98 -14.763 2.587 -4.867 1.00 0.00 C ATOM 1554 O ASN A 98 -14.137 1.827 -4.183 1.00 0.00 O ATOM 1555 CB ASN A 98 -15.855 4.267 -3.491 1.00 0.00 C ATOM 1556 CG ASN A 98 -17.112 4.876 -2.906 1.00 0.00 C ATOM 1557 OD1 ASN A 98 -17.681 5.802 -3.472 1.00 0.00 O ATOM 1558 ND2 ASN A 98 -17.551 4.366 -1.785 1.00 0.00 N ATOM 0 H ASN A 98 -16.234 1.630 -2.892 1.00 0.00 H new ATOM 0 HA ASN A 98 -16.735 3.379 -5.230 1.00 0.00 H new ATOM 0 HB2 ASN A 98 -15.203 3.959 -2.674 1.00 0.00 H new ATOM 0 HB3 ASN A 98 -15.323 5.035 -4.052 1.00 0.00 H new ATOM 0 HD21 ASN A 98 -18.395 4.739 -1.351 1.00 0.00 H new ATOM 0 HD22 ASN A 98 -17.049 3.595 -1.344 1.00 0.00 H new ATOM 1565 N ASP A 99 -14.279 3.135 -5.938 1.00 0.00 N ATOM 1566 CA ASP A 99 -13.012 2.694 -6.603 1.00 0.00 C ATOM 1567 C ASP A 99 -11.790 3.325 -5.867 1.00 0.00 C ATOM 1568 O ASP A 99 -10.722 3.545 -6.428 1.00 0.00 O ATOM 1569 CB ASP A 99 -13.060 3.105 -8.094 1.00 0.00 C ATOM 1570 CG ASP A 99 -12.175 2.259 -9.023 1.00 0.00 C ATOM 1571 OD1 ASP A 99 -12.657 1.208 -9.521 1.00 0.00 O ATOM 1572 OD2 ASP A 99 -11.023 2.684 -9.353 1.00 0.00 O ATOM 0 H ASP A 99 -14.732 3.917 -6.411 1.00 0.00 H new ATOM 0 HA ASP A 99 -12.907 1.610 -6.550 1.00 0.00 H new ATOM 0 HB2 ASP A 99 -14.091 3.042 -8.441 1.00 0.00 H new ATOM 0 HB3 ASP A 99 -12.758 4.149 -8.179 1.00 0.00 H new ATOM 1577 N SER A 100 -11.999 3.572 -4.594 1.00 0.00 N ATOM 1578 CA SER A 100 -11.098 4.254 -3.697 1.00 0.00 C ATOM 1579 C SER A 100 -9.772 3.478 -3.519 1.00 0.00 C ATOM 1580 O SER A 100 -9.706 2.248 -3.710 1.00 0.00 O ATOM 1581 CB SER A 100 -11.836 4.415 -2.343 1.00 0.00 C ATOM 1582 OG SER A 100 -11.094 5.134 -1.379 1.00 0.00 O ATOM 0 H SER A 100 -12.859 3.282 -4.129 1.00 0.00 H new ATOM 0 HA SER A 100 -10.826 5.227 -4.107 1.00 0.00 H new ATOM 0 HB2 SER A 100 -12.785 4.924 -2.514 1.00 0.00 H new ATOM 0 HB3 SER A 100 -12.071 3.427 -1.947 1.00 0.00 H new ATOM 0 HG SER A 100 -10.376 5.632 -1.823 1.00 0.00 H new ATOM 1588 N CYS A 101 -8.736 4.204 -3.177 1.00 0.00 N ATOM 1589 CA CYS A 101 -7.425 3.647 -2.968 1.00 0.00 C ATOM 1590 C CYS A 101 -7.023 3.819 -1.514 1.00 0.00 C ATOM 1591 O CYS A 101 -7.514 4.733 -0.839 1.00 0.00 O ATOM 1592 CB CYS A 101 -6.446 4.302 -3.938 1.00 0.00 C ATOM 1593 SG CYS A 101 -6.769 6.032 -4.220 1.00 0.00 S ATOM 0 H CYS A 101 -8.782 5.213 -3.034 1.00 0.00 H new ATOM 0 HA CYS A 101 -7.420 2.576 -3.172 1.00 0.00 H new ATOM 0 HB2 CYS A 101 -5.433 4.189 -3.551 1.00 0.00 H new ATOM 0 HB3 CYS A 101 -6.484 3.774 -4.891 1.00 0.00 H new ATOM 1598 N ALA A 102 -6.158 2.964 -1.018 1.00 0.00 N ATOM 1599 CA ALA A 102 -5.844 2.977 0.396 1.00 0.00 C ATOM 1600 C ALA A 102 -4.470 3.582 0.700 1.00 0.00 C ATOM 1601 O ALA A 102 -3.547 3.574 -0.151 1.00 0.00 O ATOM 1602 CB ALA A 102 -6.020 1.577 1.023 1.00 0.00 C ATOM 0 H ALA A 102 -5.663 2.258 -1.563 1.00 0.00 H new ATOM 0 HA ALA A 102 -6.566 3.641 0.870 1.00 0.00 H new ATOM 0 HB1 ALA A 102 -5.777 1.621 2.085 1.00 0.00 H new ATOM 0 HB2 ALA A 102 -7.053 1.251 0.901 1.00 0.00 H new ATOM 0 HB3 ALA A 102 -5.355 0.870 0.527 1.00 0.00 H new ATOM 1608 N ALA A 103 -4.344 4.093 1.912 1.00 0.00 N ATOM 1609 CA ALA A 103 -3.143 4.719 2.405 1.00 0.00 C ATOM 1610 C ALA A 103 -2.931 4.346 3.870 1.00 0.00 C ATOM 1611 O ALA A 103 -3.878 4.020 4.579 1.00 0.00 O ATOM 1612 CB ALA A 103 -3.238 6.251 2.276 1.00 0.00 C ATOM 0 H ALA A 103 -5.101 4.080 2.596 1.00 0.00 H new ATOM 0 HA ALA A 103 -2.300 4.367 1.810 1.00 0.00 H new ATOM 0 HB1 ALA A 103 -2.322 6.705 2.653 1.00 0.00 H new ATOM 0 HB2 ALA A 103 -3.372 6.520 1.228 1.00 0.00 H new ATOM 0 HB3 ALA A 103 -4.088 6.613 2.855 1.00 0.00 H new ATOM 1618 N ILE A 104 -1.695 4.359 4.291 1.00 0.00 N ATOM 1619 CA ILE A 104 -1.334 4.170 5.696 1.00 0.00 C ATOM 1620 C ILE A 104 -1.602 5.470 6.393 1.00 0.00 C ATOM 1621 O ILE A 104 -1.073 6.506 5.993 1.00 0.00 O ATOM 1622 CB ILE A 104 0.182 3.816 5.835 1.00 0.00 C ATOM 1623 CG1 ILE A 104 0.505 2.407 5.299 1.00 0.00 C ATOM 1624 CG2 ILE A 104 0.711 3.999 7.281 1.00 0.00 C ATOM 1625 CD1 ILE A 104 0.024 1.279 6.181 1.00 0.00 C ATOM 0 H ILE A 104 -0.894 4.501 3.675 1.00 0.00 H new ATOM 0 HA ILE A 104 -1.912 3.353 6.128 1.00 0.00 H new ATOM 0 HB ILE A 104 0.711 4.535 5.209 1.00 0.00 H new ATOM 0 HG12 ILE A 104 0.058 2.296 4.311 1.00 0.00 H new ATOM 0 HG13 ILE A 104 1.584 2.318 5.172 1.00 0.00 H new ATOM 0 HG21 ILE A 104 1.769 3.739 7.317 1.00 0.00 H new ATOM 0 HG22 ILE A 104 0.582 5.037 7.587 1.00 0.00 H new ATOM 0 HG23 ILE A 104 0.154 3.350 7.957 1.00 0.00 H new ATOM 0 HD11 ILE A 104 0.293 0.324 5.729 1.00 0.00 H new ATOM 0 HD12 ILE A 104 0.491 1.360 7.163 1.00 0.00 H new ATOM 0 HD13 ILE A 104 -1.059 1.338 6.288 1.00 0.00 H new ATOM 1637 N SER A 105 -2.425 5.430 7.388 1.00 0.00 N ATOM 1638 CA SER A 105 -2.765 6.598 8.110 1.00 0.00 C ATOM 1639 C SER A 105 -2.830 6.235 9.582 1.00 0.00 C ATOM 1640 O SER A 105 -3.840 5.705 10.077 1.00 0.00 O ATOM 1641 CB SER A 105 -4.098 7.151 7.590 1.00 0.00 C ATOM 1642 OG SER A 105 -4.359 8.487 8.009 1.00 0.00 O ATOM 0 H SER A 105 -2.880 4.579 7.720 1.00 0.00 H new ATOM 0 HA SER A 105 -2.019 7.381 7.976 1.00 0.00 H new ATOM 0 HB2 SER A 105 -4.098 7.113 6.501 1.00 0.00 H new ATOM 0 HB3 SER A 105 -4.908 6.506 7.931 1.00 0.00 H new ATOM 0 HG SER A 105 -5.220 8.782 7.645 1.00 0.00 H new ATOM 1648 N GLY A 106 -1.720 6.409 10.237 1.00 0.00 N ATOM 1649 CA GLY A 106 -1.618 6.117 11.634 1.00 0.00 C ATOM 1650 C GLY A 106 -1.118 4.719 11.833 1.00 0.00 C ATOM 1651 O GLY A 106 -0.148 4.307 11.199 1.00 0.00 O ATOM 0 H GLY A 106 -0.859 6.758 9.816 1.00 0.00 H new ATOM 0 HA2 GLY A 106 -0.942 6.825 12.113 1.00 0.00 H new ATOM 0 HA3 GLY A 106 -2.592 6.234 12.110 1.00 0.00 H new ATOM 1655 N ASP A 107 -1.780 3.991 12.689 1.00 0.00 N ATOM 1656 CA ASP A 107 -1.480 2.579 12.917 1.00 0.00 C ATOM 1657 C ASP A 107 -2.408 1.757 12.057 1.00 0.00 C ATOM 1658 O ASP A 107 -2.416 0.527 12.116 1.00 0.00 O ATOM 1659 CB ASP A 107 -1.733 2.171 14.392 1.00 0.00 C ATOM 1660 CG ASP A 107 -0.712 2.656 15.404 1.00 0.00 C ATOM 1661 OD1 ASP A 107 -0.776 3.833 15.834 1.00 0.00 O ATOM 1662 OD2 ASP A 107 0.117 1.833 15.855 1.00 0.00 O ATOM 0 H ASP A 107 -2.548 4.349 13.257 1.00 0.00 H new ATOM 0 HA ASP A 107 -0.430 2.410 12.677 1.00 0.00 H new ATOM 0 HB2 ASP A 107 -2.713 2.545 14.688 1.00 0.00 H new ATOM 0 HB3 ASP A 107 -1.777 1.083 14.444 1.00 0.00 H new ATOM 1667 N LYS A 108 -3.202 2.435 11.263 1.00 0.00 N ATOM 1668 CA LYS A 108 -4.248 1.792 10.516 1.00 0.00 C ATOM 1669 C LYS A 108 -4.086 2.062 9.037 1.00 0.00 C ATOM 1670 O LYS A 108 -3.276 2.902 8.623 1.00 0.00 O ATOM 1671 CB LYS A 108 -5.611 2.359 10.939 1.00 0.00 C ATOM 1672 CG LYS A 108 -5.845 2.470 12.441 1.00 0.00 C ATOM 1673 CD LYS A 108 -5.775 1.126 13.152 1.00 0.00 C ATOM 1674 CE LYS A 108 -5.954 1.296 14.658 1.00 0.00 C ATOM 1675 NZ LYS A 108 -5.992 0.004 15.370 1.00 0.00 N ATOM 0 H LYS A 108 -3.139 3.443 11.119 1.00 0.00 H new ATOM 0 HA LYS A 108 -4.191 0.721 10.713 1.00 0.00 H new ATOM 0 HB2 LYS A 108 -5.724 3.350 10.498 1.00 0.00 H new ATOM 0 HB3 LYS A 108 -6.393 1.730 10.514 1.00 0.00 H new ATOM 0 HG2 LYS A 108 -5.102 3.142 12.871 1.00 0.00 H new ATOM 0 HG3 LYS A 108 -6.822 2.919 12.619 1.00 0.00 H new ATOM 0 HD2 LYS A 108 -6.548 0.463 12.762 1.00 0.00 H new ATOM 0 HD3 LYS A 108 -4.815 0.651 12.947 1.00 0.00 H new ATOM 0 HE2 LYS A 108 -5.137 1.901 15.052 1.00 0.00 H new ATOM 0 HE3 LYS A 108 -6.877 1.842 14.852 1.00 0.00 H new ATOM 0 HZ1 LYS A 108 -6.115 0.173 16.389 1.00 0.00 H new ATOM 0 HZ2 LYS A 108 -6.787 -0.565 15.015 1.00 0.00 H new ATOM 0 HZ3 LYS A 108 -5.101 -0.508 15.209 1.00 0.00 H new ATOM 1689 N VAL A 109 -4.869 1.369 8.253 1.00 0.00 N ATOM 1690 CA VAL A 109 -4.935 1.608 6.844 1.00 0.00 C ATOM 1691 C VAL A 109 -6.255 2.301 6.627 1.00 0.00 C ATOM 1692 O VAL A 109 -7.253 1.965 7.298 1.00 0.00 O ATOM 1693 CB VAL A 109 -4.949 0.308 6.006 1.00 0.00 C ATOM 1694 CG1 VAL A 109 -4.557 0.587 4.562 1.00 0.00 C ATOM 1695 CG2 VAL A 109 -4.097 -0.782 6.620 1.00 0.00 C ATOM 0 H VAL A 109 -5.480 0.620 8.580 1.00 0.00 H new ATOM 0 HA VAL A 109 -4.060 2.179 6.532 1.00 0.00 H new ATOM 0 HB VAL A 109 -5.973 -0.067 6.008 1.00 0.00 H new ATOM 0 HG11 VAL A 109 -4.575 -0.343 3.994 1.00 0.00 H new ATOM 0 HG12 VAL A 109 -5.262 1.293 4.124 1.00 0.00 H new ATOM 0 HG13 VAL A 109 -3.553 1.011 4.533 1.00 0.00 H new ATOM 0 HG21 VAL A 109 -4.140 -1.673 5.994 1.00 0.00 H new ATOM 0 HG22 VAL A 109 -3.065 -0.439 6.693 1.00 0.00 H new ATOM 0 HG23 VAL A 109 -4.472 -1.019 7.616 1.00 0.00 H new ATOM 1705 N THR A 110 -6.274 3.272 5.801 1.00 0.00 N ATOM 1706 CA THR A 110 -7.469 3.996 5.515 1.00 0.00 C ATOM 1707 C THR A 110 -7.605 4.090 4.006 1.00 0.00 C ATOM 1708 O THR A 110 -6.705 3.673 3.293 1.00 0.00 O ATOM 1709 CB THR A 110 -7.394 5.411 6.142 1.00 0.00 C ATOM 1710 OG1 THR A 110 -6.251 6.102 5.611 1.00 0.00 O ATOM 1711 CG2 THR A 110 -7.240 5.323 7.660 1.00 0.00 C ATOM 0 H THR A 110 -5.453 3.599 5.291 1.00 0.00 H new ATOM 0 HA THR A 110 -8.335 3.488 5.938 1.00 0.00 H new ATOM 0 HB THR A 110 -8.315 5.943 5.904 1.00 0.00 H new ATOM 0 HG1 THR A 110 -6.287 7.045 5.876 1.00 0.00 H new ATOM 0 HG21 THR A 110 -7.189 6.328 8.079 1.00 0.00 H new ATOM 0 HG22 THR A 110 -8.096 4.796 8.083 1.00 0.00 H new ATOM 0 HG23 THR A 110 -6.325 4.782 7.902 1.00 0.00 H new ATOM 1719 N PHE A 111 -8.699 4.609 3.516 1.00 0.00 N ATOM 1720 CA PHE A 111 -8.873 4.750 2.089 1.00 0.00 C ATOM 1721 C PHE A 111 -9.500 6.071 1.730 1.00 0.00 C ATOM 1722 O PHE A 111 -10.287 6.629 2.510 1.00 0.00 O ATOM 1723 CB PHE A 111 -9.608 3.544 1.462 1.00 0.00 C ATOM 1724 CG PHE A 111 -10.806 3.062 2.230 1.00 0.00 C ATOM 1725 CD1 PHE A 111 -12.028 3.712 2.133 1.00 0.00 C ATOM 1726 CD2 PHE A 111 -10.700 1.953 3.059 1.00 0.00 C ATOM 1727 CE1 PHE A 111 -13.119 3.266 2.846 1.00 0.00 C ATOM 1728 CE2 PHE A 111 -11.785 1.507 3.772 1.00 0.00 C ATOM 1729 CZ PHE A 111 -12.999 2.162 3.667 1.00 0.00 C ATOM 0 H PHE A 111 -9.482 4.941 4.079 1.00 0.00 H new ATOM 0 HA PHE A 111 -7.877 4.751 1.645 1.00 0.00 H new ATOM 0 HB2 PHE A 111 -9.925 3.815 0.455 1.00 0.00 H new ATOM 0 HB3 PHE A 111 -8.903 2.719 1.363 1.00 0.00 H new ATOM 0 HD1 PHE A 111 -12.125 4.576 1.492 1.00 0.00 H new ATOM 0 HD2 PHE A 111 -9.755 1.437 3.144 1.00 0.00 H new ATOM 0 HE1 PHE A 111 -14.066 3.779 2.763 1.00 0.00 H new ATOM 0 HE2 PHE A 111 -11.691 0.644 4.415 1.00 0.00 H new ATOM 0 HZ PHE A 111 -13.853 1.810 4.227 1.00 0.00 H new ATOM 1739 N GLU A 112 -9.118 6.584 0.591 1.00 0.00 N ATOM 1740 CA GLU A 112 -9.577 7.862 0.094 1.00 0.00 C ATOM 1741 C GLU A 112 -9.484 7.924 -1.422 1.00 0.00 C ATOM 1742 O GLU A 112 -9.145 6.926 -2.083 1.00 0.00 O ATOM 1743 CB GLU A 112 -8.825 9.042 0.769 1.00 0.00 C ATOM 1744 CG GLU A 112 -7.330 8.850 0.963 1.00 0.00 C ATOM 1745 CD GLU A 112 -6.714 9.990 1.742 1.00 0.00 C ATOM 1746 OE1 GLU A 112 -6.320 10.997 1.136 1.00 0.00 O ATOM 1747 OE2 GLU A 112 -6.615 9.908 2.984 1.00 0.00 O ATOM 0 H GLU A 112 -8.463 6.116 -0.035 1.00 0.00 H new ATOM 0 HA GLU A 112 -10.629 7.964 0.361 1.00 0.00 H new ATOM 0 HB2 GLU A 112 -8.982 9.939 0.169 1.00 0.00 H new ATOM 0 HB3 GLU A 112 -9.278 9.227 1.743 1.00 0.00 H new ATOM 0 HG2 GLU A 112 -7.149 7.912 1.487 1.00 0.00 H new ATOM 0 HG3 GLU A 112 -6.845 8.770 -0.010 1.00 0.00 H new ATOM 1754 N SER A 113 -9.847 9.041 -1.962 1.00 0.00 N ATOM 1755 CA SER A 113 -9.793 9.288 -3.366 1.00 0.00 C ATOM 1756 C SER A 113 -8.348 9.511 -3.789 1.00 0.00 C ATOM 1757 O SER A 113 -7.666 10.343 -3.231 1.00 0.00 O ATOM 1758 CB SER A 113 -10.649 10.509 -3.664 1.00 0.00 C ATOM 1759 OG SER A 113 -11.974 10.315 -3.177 1.00 0.00 O ATOM 0 H SER A 113 -10.200 9.831 -1.422 1.00 0.00 H new ATOM 0 HA SER A 113 -10.176 8.435 -3.927 1.00 0.00 H new ATOM 0 HB2 SER A 113 -10.209 11.392 -3.200 1.00 0.00 H new ATOM 0 HB3 SER A 113 -10.672 10.692 -4.738 1.00 0.00 H new ATOM 0 HG SER A 113 -12.514 11.109 -3.374 1.00 0.00 H new ATOM 1765 N CYS A 114 -7.915 8.743 -4.774 1.00 0.00 N ATOM 1766 CA CYS A 114 -6.544 8.730 -5.358 1.00 0.00 C ATOM 1767 C CYS A 114 -5.980 10.114 -5.754 1.00 0.00 C ATOM 1768 O CYS A 114 -4.795 10.242 -6.080 1.00 0.00 O ATOM 1769 CB CYS A 114 -6.587 7.837 -6.594 1.00 0.00 C ATOM 1770 SG CYS A 114 -7.099 6.145 -6.213 1.00 0.00 S ATOM 0 H CYS A 114 -8.529 8.067 -5.227 1.00 0.00 H new ATOM 0 HA CYS A 114 -5.873 8.363 -4.582 1.00 0.00 H new ATOM 0 HB2 CYS A 114 -7.275 8.265 -7.323 1.00 0.00 H new ATOM 0 HB3 CYS A 114 -5.601 7.818 -7.059 1.00 0.00 H new ATOM 1775 N ASN A 115 -6.811 11.115 -5.702 1.00 0.00 N ATOM 1776 CA ASN A 115 -6.484 12.445 -6.142 1.00 0.00 C ATOM 1777 C ASN A 115 -6.117 13.402 -4.988 1.00 0.00 C ATOM 1778 O ASN A 115 -5.961 14.611 -5.217 1.00 0.00 O ATOM 1779 CB ASN A 115 -7.639 13.016 -6.990 1.00 0.00 C ATOM 1780 CG ASN A 115 -8.996 12.964 -6.294 1.00 0.00 C ATOM 1781 OD1 ASN A 115 -9.374 13.877 -5.573 1.00 0.00 O ATOM 1782 ND2 ASN A 115 -9.740 11.885 -6.499 1.00 0.00 N ATOM 0 H ASN A 115 -7.762 11.028 -5.343 1.00 0.00 H new ATOM 0 HA ASN A 115 -5.586 12.365 -6.755 1.00 0.00 H new ATOM 0 HB2 ASN A 115 -7.412 14.051 -7.247 1.00 0.00 H new ATOM 0 HB3 ASN A 115 -7.699 12.461 -7.926 1.00 0.00 H new ATOM 0 HD21 ASN A 115 -10.652 11.802 -6.050 1.00 0.00 H new ATOM 0 HD22 ASN A 115 -9.400 11.139 -7.105 1.00 0.00 H new ATOM 1789 N SER A 116 -5.999 12.897 -3.762 1.00 0.00 N ATOM 1790 CA SER A 116 -5.542 13.728 -2.662 1.00 0.00 C ATOM 1791 C SER A 116 -3.985 13.813 -2.608 1.00 0.00 C ATOM 1792 O SER A 116 -3.282 13.035 -3.278 1.00 0.00 O ATOM 1793 CB SER A 116 -6.143 13.210 -1.365 1.00 0.00 C ATOM 1794 OG SER A 116 -6.091 11.810 -1.332 1.00 0.00 O ATOM 0 H SER A 116 -6.211 11.931 -3.512 1.00 0.00 H new ATOM 0 HA SER A 116 -5.885 14.751 -2.817 1.00 0.00 H new ATOM 0 HB2 SER A 116 -5.600 13.621 -0.514 1.00 0.00 H new ATOM 0 HB3 SER A 116 -7.176 13.545 -1.275 1.00 0.00 H new ATOM 0 HG SER A 116 -5.934 11.510 -0.412 1.00 0.00 H new ATOM 1800 N ASP A 117 -3.467 14.760 -1.822 1.00 0.00 N ATOM 1801 CA ASP A 117 -2.018 15.008 -1.721 1.00 0.00 C ATOM 1802 C ASP A 117 -1.463 14.317 -0.485 1.00 0.00 C ATOM 1803 O ASP A 117 -1.582 14.820 0.641 1.00 0.00 O ATOM 1804 CB ASP A 117 -1.754 16.528 -1.653 1.00 0.00 C ATOM 1805 CG ASP A 117 -0.297 16.946 -1.675 1.00 0.00 C ATOM 1806 OD1 ASP A 117 0.329 16.917 -2.757 1.00 0.00 O ATOM 1807 OD2 ASP A 117 0.220 17.420 -0.642 1.00 0.00 O ATOM 0 H ASP A 117 -4.033 15.376 -1.238 1.00 0.00 H new ATOM 0 HA ASP A 117 -1.518 14.604 -2.601 1.00 0.00 H new ATOM 0 HB2 ASP A 117 -2.262 17.004 -2.492 1.00 0.00 H new ATOM 0 HB3 ASP A 117 -2.210 16.917 -0.743 1.00 0.00 H new ATOM 1812 N ASN A 118 -0.908 13.154 -0.687 1.00 0.00 N ATOM 1813 CA ASN A 118 -0.377 12.334 0.399 1.00 0.00 C ATOM 1814 C ASN A 118 0.979 11.842 0.008 1.00 0.00 C ATOM 1815 O ASN A 118 1.353 11.950 -1.145 1.00 0.00 O ATOM 1816 CB ASN A 118 -1.282 11.113 0.669 1.00 0.00 C ATOM 1817 CG ASN A 118 -2.666 11.443 1.201 1.00 0.00 C ATOM 1818 OD1 ASN A 118 -2.864 12.399 1.945 1.00 0.00 O ATOM 1819 ND2 ASN A 118 -3.628 10.649 0.824 1.00 0.00 N ATOM 0 H ASN A 118 -0.804 12.734 -1.611 1.00 0.00 H new ATOM 0 HA ASN A 118 -0.331 12.942 1.302 1.00 0.00 H new ATOM 0 HB2 ASN A 118 -1.391 10.549 -0.257 1.00 0.00 H new ATOM 0 HB3 ASN A 118 -0.781 10.460 1.383 1.00 0.00 H new ATOM 0 HD21 ASN A 118 -4.581 10.813 1.148 1.00 0.00 H new ATOM 0 HD22 ASN A 118 -3.428 9.864 0.205 1.00 0.00 H new ATOM 1826 N ARG A 119 1.711 11.280 0.943 1.00 0.00 N ATOM 1827 CA ARG A 119 3.015 10.731 0.622 1.00 0.00 C ATOM 1828 C ARG A 119 2.783 9.316 0.107 1.00 0.00 C ATOM 1829 O ARG A 119 1.632 8.891 0.020 1.00 0.00 O ATOM 1830 CB ARG A 119 3.966 10.670 1.836 1.00 0.00 C ATOM 1831 CG ARG A 119 4.282 11.955 2.597 1.00 0.00 C ATOM 1832 CD ARG A 119 3.162 12.422 3.498 1.00 0.00 C ATOM 1833 NE ARG A 119 3.671 13.374 4.503 1.00 0.00 N ATOM 1834 CZ ARG A 119 3.077 14.509 4.917 1.00 0.00 C ATOM 1835 NH1 ARG A 119 1.949 14.945 4.351 1.00 0.00 N ATOM 1836 NH2 ARG A 119 3.625 15.205 5.905 1.00 0.00 N ATOM 0 H ARG A 119 1.433 11.190 1.920 1.00 0.00 H new ATOM 0 HA ARG A 119 3.492 11.379 -0.113 1.00 0.00 H new ATOM 0 HB2 ARG A 119 3.544 9.961 2.549 1.00 0.00 H new ATOM 0 HB3 ARG A 119 4.912 10.251 1.492 1.00 0.00 H new ATOM 0 HG2 ARG A 119 5.178 11.799 3.198 1.00 0.00 H new ATOM 0 HG3 ARG A 119 4.512 12.743 1.880 1.00 0.00 H new ATOM 0 HD2 ARG A 119 2.381 12.895 2.902 1.00 0.00 H new ATOM 0 HD3 ARG A 119 2.707 11.566 3.997 1.00 0.00 H new ATOM 0 HE ARG A 119 4.569 13.148 4.930 1.00 0.00 H new ATOM 0 HH11 ARG A 119 1.522 14.416 3.591 1.00 0.00 H new ATOM 0 HH12 ARG A 119 1.514 15.807 4.679 1.00 0.00 H new ATOM 0 HH21 ARG A 119 4.487 14.878 6.342 1.00 0.00 H new ATOM 0 HH22 ARG A 119 3.184 16.067 6.227 1.00 0.00 H new ATOM 1850 N TRP A 120 3.820 8.565 -0.201 1.00 0.00 N ATOM 1851 CA TRP A 120 3.594 7.214 -0.700 1.00 0.00 C ATOM 1852 C TRP A 120 4.754 6.298 -0.362 1.00 0.00 C ATOM 1853 O TRP A 120 5.788 6.746 0.140 1.00 0.00 O ATOM 1854 CB TRP A 120 3.314 7.202 -2.221 1.00 0.00 C ATOM 1855 CG TRP A 120 4.493 7.516 -3.090 1.00 0.00 C ATOM 1856 CD1 TRP A 120 5.256 6.618 -3.758 1.00 0.00 C ATOM 1857 CD2 TRP A 120 5.042 8.799 -3.386 1.00 0.00 C ATOM 1858 NE1 TRP A 120 6.238 7.256 -4.452 1.00 0.00 N ATOM 1859 CE2 TRP A 120 6.135 8.593 -4.241 1.00 0.00 C ATOM 1860 CE3 TRP A 120 4.722 10.095 -3.015 1.00 0.00 C ATOM 1861 CZ2 TRP A 120 6.903 9.633 -4.726 1.00 0.00 C ATOM 1862 CZ3 TRP A 120 5.491 11.125 -3.503 1.00 0.00 C ATOM 1863 CH2 TRP A 120 6.569 10.887 -4.349 1.00 0.00 C ATOM 0 H TRP A 120 4.797 8.848 -0.121 1.00 0.00 H new ATOM 0 HA TRP A 120 2.705 6.835 -0.197 1.00 0.00 H new ATOM 0 HB2 TRP A 120 2.932 6.219 -2.496 1.00 0.00 H new ATOM 0 HB3 TRP A 120 2.524 7.922 -2.434 1.00 0.00 H new ATOM 0 HD1 TRP A 120 5.107 5.549 -3.742 1.00 0.00 H new ATOM 0 HE1 TRP A 120 6.939 6.802 -5.037 1.00 0.00 H new ATOM 0 HE3 TRP A 120 3.888 10.292 -2.358 1.00 0.00 H new ATOM 0 HZ2 TRP A 120 7.741 9.451 -5.383 1.00 0.00 H new ATOM 0 HZ3 TRP A 120 5.253 12.141 -3.223 1.00 0.00 H new ATOM 0 HH2 TRP A 120 7.151 11.721 -4.712 1.00 0.00 H new ATOM 1874 N ILE A 121 4.573 5.024 -0.614 1.00 0.00 N ATOM 1875 CA ILE A 121 5.596 4.041 -0.373 1.00 0.00 C ATOM 1876 C ILE A 121 5.803 3.222 -1.635 1.00 0.00 C ATOM 1877 O ILE A 121 4.845 2.746 -2.245 1.00 0.00 O ATOM 1878 CB ILE A 121 5.210 3.094 0.805 1.00 0.00 C ATOM 1879 CG1 ILE A 121 4.987 3.906 2.077 1.00 0.00 C ATOM 1880 CG2 ILE A 121 6.312 2.055 1.050 1.00 0.00 C ATOM 1881 CD1 ILE A 121 4.302 3.148 3.184 1.00 0.00 C ATOM 0 H ILE A 121 3.707 4.640 -0.994 1.00 0.00 H new ATOM 0 HA ILE A 121 6.515 4.559 -0.101 1.00 0.00 H new ATOM 0 HB ILE A 121 4.290 2.575 0.537 1.00 0.00 H new ATOM 0 HG12 ILE A 121 5.951 4.263 2.440 1.00 0.00 H new ATOM 0 HG13 ILE A 121 4.392 4.786 1.833 1.00 0.00 H new ATOM 0 HG21 ILE A 121 6.022 1.405 1.876 1.00 0.00 H new ATOM 0 HG22 ILE A 121 6.455 1.457 0.150 1.00 0.00 H new ATOM 0 HG23 ILE A 121 7.243 2.564 1.299 1.00 0.00 H new ATOM 0 HD11 ILE A 121 4.183 3.798 4.051 1.00 0.00 H new ATOM 0 HD12 ILE A 121 3.322 2.813 2.844 1.00 0.00 H new ATOM 0 HD13 ILE A 121 4.905 2.283 3.460 1.00 0.00 H new ATOM 1893 N CYS A 122 7.024 3.095 -2.031 1.00 0.00 N ATOM 1894 CA CYS A 122 7.380 2.291 -3.174 1.00 0.00 C ATOM 1895 C CYS A 122 8.018 1.026 -2.690 1.00 0.00 C ATOM 1896 O CYS A 122 8.584 1.001 -1.603 1.00 0.00 O ATOM 1897 CB CYS A 122 8.399 3.022 -4.050 1.00 0.00 C ATOM 1898 SG CYS A 122 7.828 4.576 -4.773 1.00 0.00 S ATOM 0 H CYS A 122 7.817 3.546 -1.574 1.00 0.00 H new ATOM 0 HA CYS A 122 6.479 2.088 -3.753 1.00 0.00 H new ATOM 0 HB2 CYS A 122 9.288 3.224 -3.452 1.00 0.00 H new ATOM 0 HB3 CYS A 122 8.703 2.356 -4.857 1.00 0.00 H new ATOM 1903 N GLN A 123 7.922 -0.010 -3.454 1.00 0.00 N ATOM 1904 CA GLN A 123 8.643 -1.192 -3.170 1.00 0.00 C ATOM 1905 C GLN A 123 9.260 -1.666 -4.454 1.00 0.00 C ATOM 1906 O GLN A 123 8.697 -1.478 -5.540 1.00 0.00 O ATOM 1907 CB GLN A 123 7.802 -2.312 -2.547 1.00 0.00 C ATOM 1908 CG GLN A 123 6.934 -3.091 -3.511 1.00 0.00 C ATOM 1909 CD GLN A 123 6.377 -4.333 -2.873 1.00 0.00 C ATOM 1910 OE1 GLN A 123 6.123 -4.367 -1.690 1.00 0.00 O ATOM 1911 NE2 GLN A 123 6.219 -5.372 -3.644 1.00 0.00 N ATOM 0 H GLN A 123 7.340 -0.055 -4.291 1.00 0.00 H new ATOM 0 HA GLN A 123 9.393 -0.949 -2.418 1.00 0.00 H new ATOM 0 HB2 GLN A 123 8.473 -3.009 -2.045 1.00 0.00 H new ATOM 0 HB3 GLN A 123 7.162 -1.877 -1.779 1.00 0.00 H new ATOM 0 HG2 GLN A 123 6.115 -2.460 -3.856 1.00 0.00 H new ATOM 0 HG3 GLN A 123 7.519 -3.363 -4.390 1.00 0.00 H new ATOM 0 HE21 GLN A 123 6.443 -5.309 -4.637 1.00 0.00 H new ATOM 0 HE22 GLN A 123 5.872 -6.248 -3.254 1.00 0.00 H new ATOM 1920 N LYS A 124 10.379 -2.251 -4.359 1.00 0.00 N ATOM 1921 CA LYS A 124 11.036 -2.738 -5.499 1.00 0.00 C ATOM 1922 C LYS A 124 10.940 -4.229 -5.423 1.00 0.00 C ATOM 1923 O LYS A 124 11.027 -4.808 -4.309 1.00 0.00 O ATOM 1924 CB LYS A 124 12.472 -2.243 -5.529 1.00 0.00 C ATOM 1925 CG LYS A 124 13.064 -2.224 -6.914 1.00 0.00 C ATOM 1926 CD LYS A 124 14.416 -1.577 -6.916 1.00 0.00 C ATOM 1927 CE LYS A 124 14.952 -1.379 -8.321 1.00 0.00 C ATOM 1928 NZ LYS A 124 14.983 -2.633 -9.113 1.00 0.00 N ATOM 0 H LYS A 124 10.873 -2.409 -3.481 1.00 0.00 H new ATOM 0 HA LYS A 124 10.583 -2.383 -6.425 1.00 0.00 H new ATOM 0 HB2 LYS A 124 12.512 -1.238 -5.110 1.00 0.00 H new ATOM 0 HB3 LYS A 124 13.082 -2.880 -4.889 1.00 0.00 H new ATOM 0 HG2 LYS A 124 13.145 -3.243 -7.292 1.00 0.00 H new ATOM 0 HG3 LYS A 124 12.399 -1.686 -7.589 1.00 0.00 H new ATOM 0 HD2 LYS A 124 14.356 -0.612 -6.412 1.00 0.00 H new ATOM 0 HD3 LYS A 124 15.113 -2.192 -6.346 1.00 0.00 H new ATOM 0 HE2 LYS A 124 14.335 -0.644 -8.839 1.00 0.00 H new ATOM 0 HE3 LYS A 124 15.959 -0.967 -8.265 1.00 0.00 H new ATOM 0 HZ1 LYS A 124 15.510 -2.474 -9.995 1.00 0.00 H new ATOM 0 HZ2 LYS A 124 15.450 -3.381 -8.561 1.00 0.00 H new ATOM 0 HZ3 LYS A 124 14.011 -2.925 -9.339 1.00 0.00 H new ATOM 1942 N GLU A 125 10.728 -4.848 -6.554 1.00 0.00 N ATOM 1943 CA GLU A 125 10.393 -6.232 -6.586 1.00 0.00 C ATOM 1944 C GLU A 125 11.575 -7.142 -6.420 1.00 0.00 C ATOM 1945 O GLU A 125 12.547 -7.121 -7.198 1.00 0.00 O ATOM 1946 CB GLU A 125 9.631 -6.607 -7.848 1.00 0.00 C ATOM 1947 CG GLU A 125 9.198 -8.062 -7.865 1.00 0.00 C ATOM 1948 CD GLU A 125 8.682 -8.502 -9.191 1.00 0.00 C ATOM 1949 OE1 GLU A 125 7.492 -8.341 -9.460 1.00 0.00 O ATOM 1950 OE2 GLU A 125 9.473 -9.051 -9.995 1.00 0.00 O ATOM 0 H GLU A 125 10.784 -4.403 -7.470 1.00 0.00 H new ATOM 0 HA GLU A 125 9.746 -6.380 -5.722 1.00 0.00 H new ATOM 0 HB2 GLU A 125 8.751 -5.970 -7.938 1.00 0.00 H new ATOM 0 HB3 GLU A 125 10.258 -6.409 -8.717 1.00 0.00 H new ATOM 0 HG2 GLU A 125 10.044 -8.690 -7.584 1.00 0.00 H new ATOM 0 HG3 GLU A 125 8.424 -8.214 -7.112 1.00 0.00 H new ATOM 1957 N LEU A 126 11.502 -7.884 -5.378 1.00 0.00 N ATOM 1958 CA LEU A 126 12.359 -8.994 -5.151 1.00 0.00 C ATOM 1959 C LEU A 126 11.470 -10.229 -5.437 1.00 0.00 C ATOM 1960 O LEU A 126 11.875 -11.165 -6.094 1.00 0.00 O ATOM 1961 CB LEU A 126 12.930 -8.969 -3.683 1.00 0.00 C ATOM 1962 CG LEU A 126 14.077 -7.956 -3.317 1.00 0.00 C ATOM 1963 CD1 LEU A 126 13.866 -6.569 -3.868 1.00 0.00 C ATOM 1964 CD2 LEU A 126 14.239 -7.880 -1.809 1.00 0.00 C ATOM 0 H LEU A 126 10.822 -7.733 -4.633 1.00 0.00 H new ATOM 0 HA LEU A 126 13.243 -8.994 -5.788 1.00 0.00 H new ATOM 0 HB2 LEU A 126 12.095 -8.774 -3.010 1.00 0.00 H new ATOM 0 HB3 LEU A 126 13.294 -9.971 -3.457 1.00 0.00 H new ATOM 0 HG LEU A 126 14.982 -8.343 -3.786 1.00 0.00 H new ATOM 0 HD11 LEU A 126 14.698 -5.930 -3.573 1.00 0.00 H new ATOM 0 HD12 LEU A 126 13.811 -6.614 -4.956 1.00 0.00 H new ATOM 0 HD13 LEU A 126 12.936 -6.159 -3.474 1.00 0.00 H new ATOM 0 HD21 LEU A 126 15.035 -7.177 -1.564 1.00 0.00 H new ATOM 0 HD22 LEU A 126 13.305 -7.543 -1.359 1.00 0.00 H new ATOM 0 HD23 LEU A 126 14.493 -8.866 -1.420 1.00 0.00 H new ATOM 1976 N TYR A 127 10.204 -10.132 -5.001 1.00 0.00 N ATOM 1977 CA TYR A 127 9.154 -11.136 -5.219 1.00 0.00 C ATOM 1978 C TYR A 127 7.791 -10.410 -5.182 1.00 0.00 C ATOM 1979 O TYR A 127 7.746 -9.208 -4.867 1.00 0.00 O ATOM 1980 CB TYR A 127 9.133 -12.207 -4.109 1.00 0.00 C ATOM 1981 CG TYR A 127 10.258 -13.235 -4.100 1.00 0.00 C ATOM 1982 CD1 TYR A 127 11.479 -12.975 -3.496 1.00 0.00 C ATOM 1983 CD2 TYR A 127 10.070 -14.483 -4.669 1.00 0.00 C ATOM 1984 CE1 TYR A 127 12.472 -13.923 -3.468 1.00 0.00 C ATOM 1985 CE2 TYR A 127 11.059 -15.435 -4.637 1.00 0.00 C ATOM 1986 CZ TYR A 127 12.257 -15.148 -4.038 1.00 0.00 C ATOM 1987 OH TYR A 127 13.248 -16.101 -3.996 1.00 0.00 O ATOM 0 H TYR A 127 9.874 -9.326 -4.470 1.00 0.00 H new ATOM 0 HA TYR A 127 9.348 -11.627 -6.173 1.00 0.00 H new ATOM 0 HB2 TYR A 127 9.139 -11.694 -3.147 1.00 0.00 H new ATOM 0 HB3 TYR A 127 8.187 -12.744 -4.178 1.00 0.00 H new ATOM 0 HD1 TYR A 127 11.652 -12.011 -3.040 1.00 0.00 H new ATOM 0 HD2 TYR A 127 9.129 -14.712 -5.147 1.00 0.00 H new ATOM 0 HE1 TYR A 127 13.419 -13.702 -2.998 1.00 0.00 H new ATOM 0 HE2 TYR A 127 10.893 -16.405 -5.082 1.00 0.00 H new ATOM 0 HH TYR A 127 12.938 -16.916 -4.444 1.00 0.00 H new ATOM 1997 N HIS A 128 6.699 -11.123 -5.494 1.00 0.00 N ATOM 1998 CA HIS A 128 5.329 -10.586 -5.384 1.00 0.00 C ATOM 1999 C HIS A 128 4.336 -11.744 -5.226 1.00 0.00 C ATOM 2000 O HIS A 128 4.446 -12.745 -5.924 1.00 0.00 O ATOM 2001 CB HIS A 128 4.921 -9.651 -6.582 1.00 0.00 C ATOM 2002 CG HIS A 128 4.751 -10.293 -7.956 1.00 0.00 C ATOM 2003 ND1 HIS A 128 5.515 -9.960 -9.041 1.00 0.00 N ATOM 2004 CD2 HIS A 128 3.837 -11.182 -8.424 1.00 0.00 C ATOM 2005 CE1 HIS A 128 5.087 -10.604 -10.099 1.00 0.00 C ATOM 2006 NE2 HIS A 128 4.072 -11.353 -9.757 1.00 0.00 N ATOM 0 H HIS A 128 6.737 -12.086 -5.829 1.00 0.00 H new ATOM 0 HA HIS A 128 5.303 -9.952 -4.498 1.00 0.00 H new ATOM 0 HB2 HIS A 128 3.982 -9.162 -6.322 1.00 0.00 H new ATOM 0 HB3 HIS A 128 5.675 -8.868 -6.668 1.00 0.00 H new ATOM 0 HD1 HIS A 128 6.300 -9.308 -9.028 1.00 0.00 H new ATOM 0 HD2 HIS A 128 3.064 -11.666 -7.846 1.00 0.00 H new ATOM 0 HE1 HIS A 128 5.505 -10.528 -11.092 1.00 0.00 H new ATOM 2015 N GLU A 129 3.370 -11.613 -4.336 1.00 0.00 N ATOM 2016 CA GLU A 129 2.448 -12.718 -4.073 1.00 0.00 C ATOM 2017 C GLU A 129 0.980 -12.338 -4.299 1.00 0.00 C ATOM 2018 O GLU A 129 0.636 -11.161 -4.417 1.00 0.00 O ATOM 2019 CB GLU A 129 2.624 -13.235 -2.650 1.00 0.00 C ATOM 2020 CG GLU A 129 4.006 -13.782 -2.338 1.00 0.00 C ATOM 2021 CD GLU A 129 4.414 -14.915 -3.235 1.00 0.00 C ATOM 2022 OE1 GLU A 129 3.690 -15.940 -3.275 1.00 0.00 O ATOM 2023 OE2 GLU A 129 5.490 -14.824 -3.878 1.00 0.00 O ATOM 0 H GLU A 129 3.199 -10.770 -3.788 1.00 0.00 H new ATOM 0 HA GLU A 129 2.698 -13.501 -4.788 1.00 0.00 H new ATOM 0 HB2 GLU A 129 2.403 -12.425 -1.954 1.00 0.00 H new ATOM 0 HB3 GLU A 129 1.889 -14.019 -2.470 1.00 0.00 H new ATOM 0 HG2 GLU A 129 4.736 -12.977 -2.426 1.00 0.00 H new ATOM 0 HG3 GLU A 129 4.029 -14.121 -1.302 1.00 0.00 H new ATOM 2030 N THR A 130 0.141 -13.351 -4.344 1.00 0.00 N ATOM 2031 CA THR A 130 -1.297 -13.240 -4.526 1.00 0.00 C ATOM 2032 C THR A 130 -1.977 -14.130 -3.481 1.00 0.00 C ATOM 2033 O THR A 130 -1.431 -15.167 -3.088 1.00 0.00 O ATOM 2034 CB THR A 130 -1.663 -13.722 -5.939 1.00 0.00 C ATOM 2035 OG1 THR A 130 -0.850 -13.012 -6.902 1.00 0.00 O ATOM 2036 CG2 THR A 130 -3.111 -13.431 -6.204 1.00 0.00 C ATOM 0 H THR A 130 0.453 -14.318 -4.251 1.00 0.00 H new ATOM 0 HA THR A 130 -1.624 -12.207 -4.407 1.00 0.00 H new ATOM 0 HB THR A 130 -1.486 -14.794 -6.022 1.00 0.00 H new ATOM 0 HG1 THR A 130 -1.075 -13.314 -7.807 1.00 0.00 H new ATOM 0 HG21 THR A 130 -3.373 -13.772 -7.206 1.00 0.00 H new ATOM 0 HG22 THR A 130 -3.727 -13.952 -5.471 1.00 0.00 H new ATOM 0 HG23 THR A 130 -3.286 -12.358 -6.129 1.00 0.00 H new