USER MOD reduce.3.24.130724 H: found=0, std=0, add=812, rem=0, adj=28 USER MOD reduce.3.24.130724 removed 809 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 26 SER OG : rot 180:sc= -0.174 USER MOD Set 1.2: A 78 SER OG : rot 180:sc= 0 USER MOD Set 1.3: A 92 MET CE :methyl 151:sc= -0.0768 (180deg=-1.05) USER MOD Set 2.1: A 8 SER OG : rot 180:sc= 0 USER MOD Set 2.2: A 99 THR OG1 : rot 180:sc= 0 USER MOD Single : A 1 ASP N :NH3+ -157:sc= 0 (180deg=-0.724) USER MOD Single : A 9 CYS SG : rot -155:sc= -0.0452 USER MOD Single : A 12 ASN : amide:sc= -0.0134 K(o=-0.013,f=-1.6!) USER MOD Single : A 14 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 19 LYS NZ :NH3+ 155:sc= -7.85! (180deg=-8.43!) USER MOD Single : A 20 ASN :FLIP amide:sc= -2.26! C(o=-4.1!,f=-2.3!) USER MOD Single : A 23 GLN : amide:sc= 0.933 K(o=0.93,f=-0.94) USER MOD Single : A 25 LYS NZ :NH3+ -168:sc= 0.261 (180deg=0.0832) USER MOD Single : A 27 ASN :FLIP amide:sc= -0.119 F(o=-0.82,f=-0.12) USER MOD Single : A 30 LYS NZ :NH3+ -172:sc= -2.8! (180deg=-3.18) USER MOD Single : A 32 THR OG1 : rot 180:sc= 0 USER MOD Single : A 33 LYS NZ :NH3+ -142:sc= -0.362 (180deg=-1.98!) USER MOD Single : A 36 TYR OH : rot 141:sc= -5.05! USER MOD Single : A 37 SER OG : rot 180:sc= 0 USER MOD Single : A 39 THR OG1 : rot 18:sc= 0.394 USER MOD Single : A 41 GLN : amide:sc= 0 X(o=0,f=-0.082) USER MOD Single : A 45 LYS NZ :NH3+ -160:sc=-0.000613 (180deg=-0.203) USER MOD Single : A 57 THR OG1 : rot -160:sc= -0.782 USER MOD Single : A 61 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 63 THR OG1 : rot 180:sc= 0 USER MOD Single : A 64 GLN : amide:sc= 0.188 X(o=0.19,f=0) USER MOD Single : A 73 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 74 TYR OH : rot 180:sc= -0.162 USER MOD Single : A 77 TYR OH : rot 180:sc= 0 USER MOD Single : A 79 HIS : no HE2:sc= -9.2! C(o=-9.2!,f=-14!) USER MOD Single : A 82 SER OG : rot -63:sc= -0.269! USER MOD Single : A 83 SER OG : rot 180:sc= -0.0232! USER MOD Single : A 84 ASN : amide:sc= -0.045 X(o=-0.045,f=-0.47) USER MOD Single : A 97 THR OG1 : rot 180:sc= 0 USER MOD Single : A 101 GLN :FLIP amide:sc= -3.13! C(o=-4.3!,f=-3.1!) USER MOD Single : A 102 ASN : amide:sc= -4.09! C(o=-4.1!,f=-3.7!) USER MOD Single : A 104 ASN :FLIP amide:sc= -0.316 F(o=-1.2!,f=-0.32) USER MOD ----------------------------------------------------------------- ATOM 1 N ASP A 1 10.542 -13.251 -4.197 1.00 0.00 N ATOM 2 CA ASP A 1 9.647 -13.500 -5.351 1.00 0.00 C ATOM 3 C ASP A 1 8.537 -12.462 -5.421 1.00 0.00 C ATOM 4 O ASP A 1 8.242 -11.792 -4.452 1.00 0.00 O ATOM 5 CB ASP A 1 9.014 -14.889 -5.182 1.00 0.00 C ATOM 6 CG ASP A 1 10.095 -15.887 -4.766 1.00 0.00 C ATOM 7 OD1 ASP A 1 10.832 -16.288 -5.652 1.00 0.00 O ATOM 8 OD2 ASP A 1 10.123 -16.192 -3.586 1.00 0.00 O ATOM 0 H1 ASP A 1 11.468 -13.690 -4.375 1.00 0.00 H new ATOM 0 H2 ASP A 1 10.664 -12.226 -4.067 1.00 0.00 H new ATOM 0 H3 ASP A 1 10.123 -13.662 -3.338 1.00 0.00 H new ATOM 0 HA ASP A 1 10.232 -13.441 -6.269 1.00 0.00 H new ATOM 0 HB2 ASP A 1 8.226 -14.854 -4.430 1.00 0.00 H new ATOM 0 HB3 ASP A 1 8.549 -15.206 -6.116 1.00 0.00 H new ATOM 13 N TRP A 2 7.942 -12.349 -6.574 1.00 0.00 N ATOM 14 CA TRP A 2 6.849 -11.366 -6.742 1.00 0.00 C ATOM 15 C TRP A 2 5.539 -11.896 -6.172 1.00 0.00 C ATOM 16 O TRP A 2 4.764 -12.512 -6.866 1.00 0.00 O ATOM 17 CB TRP A 2 6.670 -11.118 -8.254 1.00 0.00 C ATOM 18 CG TRP A 2 7.489 -9.891 -8.690 1.00 0.00 C ATOM 19 CD1 TRP A 2 8.407 -9.280 -7.942 1.00 0.00 C ATOM 20 CD2 TRP A 2 7.333 -9.275 -9.835 1.00 0.00 C ATOM 21 NE1 TRP A 2 8.791 -8.239 -8.706 1.00 0.00 N ATOM 22 CE2 TRP A 2 8.153 -8.168 -9.929 1.00 0.00 C ATOM 23 CE3 TRP A 2 6.512 -9.613 -10.894 1.00 0.00 C ATOM 24 CZ2 TRP A 2 8.144 -7.399 -11.072 1.00 0.00 C ATOM 25 CZ3 TRP A 2 6.511 -8.845 -12.038 1.00 0.00 C ATOM 26 CH2 TRP A 2 7.326 -7.740 -12.127 1.00 0.00 C ATOM 0 H TRP A 2 8.168 -12.896 -7.404 1.00 0.00 H new ATOM 0 HA TRP A 2 7.104 -10.449 -6.211 1.00 0.00 H new ATOM 0 HB2 TRP A 2 6.990 -11.996 -8.815 1.00 0.00 H new ATOM 0 HB3 TRP A 2 5.616 -10.961 -8.482 1.00 0.00 H new ATOM 0 HD1 TRP A 2 8.759 -9.554 -6.958 1.00 0.00 H new ATOM 0 HE1 TRP A 2 9.492 -7.562 -8.407 1.00 0.00 H new ATOM 0 HE3 TRP A 2 5.871 -10.479 -10.825 1.00 0.00 H new ATOM 0 HZ2 TRP A 2 8.779 -6.528 -11.141 1.00 0.00 H new ATOM 0 HZ3 TRP A 2 5.870 -9.111 -12.866 1.00 0.00 H new ATOM 0 HH2 TRP A 2 7.325 -7.139 -13.025 1.00 0.00 H new ATOM 37 N VAL A 3 5.324 -11.642 -4.905 1.00 0.00 N ATOM 38 CA VAL A 3 4.072 -12.118 -4.262 1.00 0.00 C ATOM 39 C VAL A 3 3.802 -11.339 -2.973 1.00 0.00 C ATOM 40 O VAL A 3 4.211 -11.745 -1.903 1.00 0.00 O ATOM 41 CB VAL A 3 4.236 -13.612 -3.910 1.00 0.00 C ATOM 42 CG1 VAL A 3 3.630 -14.480 -5.025 1.00 0.00 C ATOM 43 CG2 VAL A 3 5.726 -13.935 -3.776 1.00 0.00 C ATOM 0 H VAL A 3 5.960 -11.128 -4.295 1.00 0.00 H new ATOM 0 HA VAL A 3 3.239 -11.969 -4.949 1.00 0.00 H new ATOM 0 HB VAL A 3 3.723 -13.820 -2.971 1.00 0.00 H new ATOM 0 HG11 VAL A 3 3.749 -15.533 -4.771 1.00 0.00 H new ATOM 0 HG12 VAL A 3 2.570 -14.249 -5.130 1.00 0.00 H new ATOM 0 HG13 VAL A 3 4.141 -14.274 -5.965 1.00 0.00 H new ATOM 0 HG21 VAL A 3 5.849 -14.989 -3.527 1.00 0.00 H new ATOM 0 HG22 VAL A 3 6.230 -13.723 -4.719 1.00 0.00 H new ATOM 0 HG23 VAL A 3 6.161 -13.323 -2.986 1.00 0.00 H new ATOM 53 N ILE A 4 3.118 -10.231 -3.099 1.00 0.00 N ATOM 54 CA ILE A 4 2.816 -9.421 -1.895 1.00 0.00 C ATOM 55 C ILE A 4 1.635 -8.447 -2.195 1.00 0.00 C ATOM 56 O ILE A 4 1.818 -7.374 -2.726 1.00 0.00 O ATOM 57 CB ILE A 4 4.128 -8.667 -1.498 1.00 0.00 C ATOM 58 CG1 ILE A 4 4.086 -8.220 -0.015 1.00 0.00 C ATOM 59 CG2 ILE A 4 4.375 -7.445 -2.437 1.00 0.00 C ATOM 60 CD1 ILE A 4 3.242 -6.953 0.182 1.00 0.00 C ATOM 0 H ILE A 4 2.760 -9.859 -3.979 1.00 0.00 H new ATOM 0 HA ILE A 4 2.498 -10.044 -1.059 1.00 0.00 H new ATOM 0 HB ILE A 4 4.960 -9.361 -1.618 1.00 0.00 H new ATOM 0 HG12 ILE A 4 3.677 -9.026 0.595 1.00 0.00 H new ATOM 0 HG13 ILE A 4 5.101 -8.037 0.337 1.00 0.00 H new ATOM 0 HG21 ILE A 4 5.293 -6.938 -2.140 1.00 0.00 H new ATOM 0 HG22 ILE A 4 4.468 -7.790 -3.467 1.00 0.00 H new ATOM 0 HG23 ILE A 4 3.537 -6.752 -2.361 1.00 0.00 H new ATOM 0 HD11 ILE A 4 3.241 -6.677 1.236 1.00 0.00 H new ATOM 0 HD12 ILE A 4 3.665 -6.139 -0.406 1.00 0.00 H new ATOM 0 HD13 ILE A 4 2.219 -7.143 -0.144 1.00 0.00 H new ATOM 72 N PRO A 5 0.418 -8.883 -1.878 1.00 0.00 N ATOM 73 CA PRO A 5 -0.774 -8.059 -2.113 1.00 0.00 C ATOM 74 C PRO A 5 -0.779 -6.714 -1.346 1.00 0.00 C ATOM 75 O PRO A 5 -1.117 -5.691 -1.907 1.00 0.00 O ATOM 76 CB PRO A 5 -1.959 -8.931 -1.644 1.00 0.00 C ATOM 77 CG PRO A 5 -1.385 -10.321 -1.233 1.00 0.00 C ATOM 78 CD PRO A 5 0.146 -10.232 -1.330 1.00 0.00 C ATOM 0 HA PRO A 5 -0.819 -7.777 -3.165 1.00 0.00 H new ATOM 0 HB2 PRO A 5 -2.470 -8.463 -0.802 1.00 0.00 H new ATOM 0 HB3 PRO A 5 -2.694 -9.040 -2.442 1.00 0.00 H new ATOM 0 HG2 PRO A 5 -1.691 -10.578 -0.219 1.00 0.00 H new ATOM 0 HG3 PRO A 5 -1.766 -11.103 -1.889 1.00 0.00 H new ATOM 0 HD2 PRO A 5 0.612 -10.362 -0.353 1.00 0.00 H new ATOM 0 HD3 PRO A 5 0.546 -11.010 -1.980 1.00 0.00 H new ATOM 86 N PRO A 6 -0.403 -6.739 -0.080 1.00 0.00 N ATOM 87 CA PRO A 6 -0.378 -5.517 0.730 1.00 0.00 C ATOM 88 C PRO A 6 0.568 -4.452 0.165 1.00 0.00 C ATOM 89 O PRO A 6 1.676 -4.743 -0.237 1.00 0.00 O ATOM 90 CB PRO A 6 0.114 -5.974 2.119 1.00 0.00 C ATOM 91 CG PRO A 6 0.251 -7.527 2.073 1.00 0.00 C ATOM 92 CD PRO A 6 0.022 -7.959 0.614 1.00 0.00 C ATOM 0 HA PRO A 6 -1.363 -5.051 0.752 1.00 0.00 H new ATOM 0 HB2 PRO A 6 1.071 -5.511 2.360 1.00 0.00 H new ATOM 0 HB3 PRO A 6 -0.590 -5.673 2.895 1.00 0.00 H new ATOM 0 HG2 PRO A 6 1.238 -7.837 2.416 1.00 0.00 H new ATOM 0 HG3 PRO A 6 -0.478 -7.998 2.733 1.00 0.00 H new ATOM 0 HD2 PRO A 6 0.933 -8.366 0.175 1.00 0.00 H new ATOM 0 HD3 PRO A 6 -0.739 -8.737 0.547 1.00 0.00 H new ATOM 100 N ILE A 7 0.098 -3.229 0.156 1.00 0.00 N ATOM 101 CA ILE A 7 0.927 -2.109 -0.371 1.00 0.00 C ATOM 102 C ILE A 7 0.722 -0.860 0.491 1.00 0.00 C ATOM 103 O ILE A 7 -0.151 -0.838 1.335 1.00 0.00 O ATOM 104 CB ILE A 7 0.478 -1.809 -1.808 1.00 0.00 C ATOM 105 CG1 ILE A 7 0.869 -2.965 -2.730 1.00 0.00 C ATOM 106 CG2 ILE A 7 1.178 -0.524 -2.294 1.00 0.00 C ATOM 107 CD1 ILE A 7 2.343 -2.832 -3.136 1.00 0.00 C ATOM 0 H ILE A 7 -0.827 -2.961 0.492 1.00 0.00 H new ATOM 0 HA ILE A 7 1.981 -2.387 -0.350 1.00 0.00 H new ATOM 0 HB ILE A 7 -0.604 -1.682 -1.828 1.00 0.00 H new ATOM 0 HG12 ILE A 7 0.706 -3.917 -2.224 1.00 0.00 H new ATOM 0 HG13 ILE A 7 0.236 -2.964 -3.618 1.00 0.00 H new ATOM 0 HG21 ILE A 7 0.865 -0.303 -3.314 1.00 0.00 H new ATOM 0 HG22 ILE A 7 0.906 0.307 -1.643 1.00 0.00 H new ATOM 0 HG23 ILE A 7 2.258 -0.666 -2.269 1.00 0.00 H new ATOM 0 HD11 ILE A 7 2.616 -3.658 -3.793 1.00 0.00 H new ATOM 0 HD12 ILE A 7 2.492 -1.888 -3.660 1.00 0.00 H new ATOM 0 HD13 ILE A 7 2.970 -2.855 -2.244 1.00 0.00 H new ATOM 119 N SER A 8 1.533 0.159 0.271 1.00 0.00 N ATOM 120 CA SER A 8 1.381 1.409 1.084 1.00 0.00 C ATOM 121 C SER A 8 1.501 2.670 0.228 1.00 0.00 C ATOM 122 O SER A 8 2.317 2.745 -0.670 1.00 0.00 O ATOM 123 CB SER A 8 2.492 1.433 2.142 1.00 0.00 C ATOM 124 OG SER A 8 2.602 2.803 2.494 1.00 0.00 O ATOM 0 H SER A 8 2.279 0.176 -0.424 1.00 0.00 H new ATOM 0 HA SER A 8 0.390 1.402 1.537 1.00 0.00 H new ATOM 0 HB2 SER A 8 2.235 0.819 3.005 1.00 0.00 H new ATOM 0 HB3 SER A 8 3.430 1.047 1.744 1.00 0.00 H new ATOM 0 HG SER A 8 3.298 2.911 3.176 1.00 0.00 H new ATOM 130 N CYS A 9 0.671 3.644 0.536 1.00 0.00 N ATOM 131 CA CYS A 9 0.697 4.922 -0.231 1.00 0.00 C ATOM 132 C CYS A 9 0.496 6.127 0.726 1.00 0.00 C ATOM 133 O CYS A 9 -0.552 6.264 1.325 1.00 0.00 O ATOM 134 CB CYS A 9 -0.472 4.904 -1.232 1.00 0.00 C ATOM 135 SG CYS A 9 -0.206 4.058 -2.809 1.00 0.00 S ATOM 0 H CYS A 9 -0.020 3.603 1.285 1.00 0.00 H new ATOM 0 HA CYS A 9 1.656 5.020 -0.740 1.00 0.00 H new ATOM 0 HB2 CYS A 9 -1.328 4.441 -0.742 1.00 0.00 H new ATOM 0 HB3 CYS A 9 -0.748 5.937 -1.446 1.00 0.00 H new ATOM 0 HG CYS A 9 -1.010 4.548 -3.705 1.00 0.00 H new ATOM 141 N PRO A 10 1.511 6.984 0.854 1.00 0.00 N ATOM 142 CA PRO A 10 1.415 8.153 1.737 1.00 0.00 C ATOM 143 C PRO A 10 0.320 9.144 1.303 1.00 0.00 C ATOM 144 O PRO A 10 -0.210 9.078 0.196 1.00 0.00 O ATOM 145 CB PRO A 10 2.796 8.840 1.641 1.00 0.00 C ATOM 146 CG PRO A 10 3.668 7.999 0.662 1.00 0.00 C ATOM 147 CD PRO A 10 2.799 6.835 0.160 1.00 0.00 C ATOM 0 HA PRO A 10 1.150 7.841 2.747 1.00 0.00 H new ATOM 0 HB2 PRO A 10 2.691 9.863 1.280 1.00 0.00 H new ATOM 0 HB3 PRO A 10 3.266 8.895 2.623 1.00 0.00 H new ATOM 0 HG2 PRO A 10 4.008 8.612 -0.173 1.00 0.00 H new ATOM 0 HG3 PRO A 10 4.559 7.624 1.166 1.00 0.00 H new ATOM 0 HD2 PRO A 10 2.670 6.878 -0.921 1.00 0.00 H new ATOM 0 HD3 PRO A 10 3.260 5.874 0.388 1.00 0.00 H new ATOM 155 N GLU A 11 0.015 10.052 2.198 1.00 0.00 N ATOM 156 CA GLU A 11 -1.026 11.070 1.908 1.00 0.00 C ATOM 157 C GLU A 11 -0.404 12.452 1.762 1.00 0.00 C ATOM 158 O GLU A 11 0.760 12.645 2.049 1.00 0.00 O ATOM 159 CB GLU A 11 -1.998 11.103 3.099 1.00 0.00 C ATOM 160 CG GLU A 11 -1.205 11.359 4.381 1.00 0.00 C ATOM 161 CD GLU A 11 -2.114 12.023 5.418 1.00 0.00 C ATOM 162 OE1 GLU A 11 -3.312 11.951 5.212 1.00 0.00 O ATOM 163 OE2 GLU A 11 -1.554 12.564 6.359 1.00 0.00 O ATOM 0 H GLU A 11 0.448 10.127 3.119 1.00 0.00 H new ATOM 0 HA GLU A 11 -1.534 10.811 0.979 1.00 0.00 H new ATOM 0 HB2 GLU A 11 -2.744 11.885 2.955 1.00 0.00 H new ATOM 0 HB3 GLU A 11 -2.537 10.158 3.172 1.00 0.00 H new ATOM 0 HG2 GLU A 11 -0.813 10.420 4.773 1.00 0.00 H new ATOM 0 HG3 GLU A 11 -0.348 11.999 4.170 1.00 0.00 H new ATOM 170 N ASN A 12 -1.195 13.385 1.312 1.00 0.00 N ATOM 171 CA ASN A 12 -0.682 14.767 1.138 1.00 0.00 C ATOM 172 C ASN A 12 0.620 14.800 0.339 1.00 0.00 C ATOM 173 O ASN A 12 1.331 15.785 0.362 1.00 0.00 O ATOM 174 CB ASN A 12 -0.412 15.354 2.531 1.00 0.00 C ATOM 175 CG ASN A 12 -1.741 15.613 3.239 1.00 0.00 C ATOM 176 OD1 ASN A 12 -2.779 15.723 2.615 1.00 0.00 O ATOM 177 ND2 ASN A 12 -1.756 15.716 4.538 1.00 0.00 N ATOM 0 H ASN A 12 -2.173 13.248 1.058 1.00 0.00 H new ATOM 0 HA ASN A 12 -1.428 15.343 0.590 1.00 0.00 H new ATOM 0 HB2 ASN A 12 0.196 14.665 3.117 1.00 0.00 H new ATOM 0 HB3 ASN A 12 0.153 16.282 2.443 1.00 0.00 H new ATOM 0 HD21 ASN A 12 -2.635 15.888 5.026 1.00 0.00 H new ATOM 0 HD22 ASN A 12 -0.889 15.625 5.067 1.00 0.00 H new ATOM 184 N GLU A 13 0.913 13.735 -0.351 1.00 0.00 N ATOM 185 CA GLU A 13 2.169 13.720 -1.146 1.00 0.00 C ATOM 186 C GLU A 13 2.311 15.018 -1.935 1.00 0.00 C ATOM 187 O GLU A 13 1.370 15.465 -2.559 1.00 0.00 O ATOM 188 CB GLU A 13 2.111 12.543 -2.132 1.00 0.00 C ATOM 189 CG GLU A 13 1.770 11.262 -1.367 1.00 0.00 C ATOM 190 CD GLU A 13 1.457 10.144 -2.367 1.00 0.00 C ATOM 191 OE1 GLU A 13 2.320 9.899 -3.193 1.00 0.00 O ATOM 192 OE2 GLU A 13 0.371 9.600 -2.245 1.00 0.00 O ATOM 0 H GLU A 13 0.347 12.887 -0.399 1.00 0.00 H new ATOM 0 HA GLU A 13 3.020 13.618 -0.473 1.00 0.00 H new ATOM 0 HB2 GLU A 13 1.361 12.733 -2.900 1.00 0.00 H new ATOM 0 HB3 GLU A 13 3.068 12.433 -2.642 1.00 0.00 H new ATOM 0 HG2 GLU A 13 2.605 10.972 -0.729 1.00 0.00 H new ATOM 0 HG3 GLU A 13 0.914 11.432 -0.714 1.00 0.00 H new ATOM 199 N LYS A 14 3.489 15.599 -1.891 1.00 0.00 N ATOM 200 CA LYS A 14 3.712 16.873 -2.635 1.00 0.00 C ATOM 201 C LYS A 14 5.033 16.844 -3.394 1.00 0.00 C ATOM 202 O LYS A 14 5.902 16.047 -3.105 1.00 0.00 O ATOM 203 CB LYS A 14 3.750 18.027 -1.621 1.00 0.00 C ATOM 204 CG LYS A 14 4.894 17.793 -0.631 1.00 0.00 C ATOM 205 CD LYS A 14 4.956 18.967 0.350 1.00 0.00 C ATOM 206 CE LYS A 14 4.096 18.645 1.574 1.00 0.00 C ATOM 207 NZ LYS A 14 3.698 19.899 2.277 1.00 0.00 N ATOM 0 H LYS A 14 4.296 15.247 -1.376 1.00 0.00 H new ATOM 0 HA LYS A 14 2.904 17.006 -3.354 1.00 0.00 H new ATOM 0 HB2 LYS A 14 3.890 18.976 -2.138 1.00 0.00 H new ATOM 0 HB3 LYS A 14 2.801 18.090 -1.089 1.00 0.00 H new ATOM 0 HG2 LYS A 14 4.738 16.859 -0.091 1.00 0.00 H new ATOM 0 HG3 LYS A 14 5.840 17.699 -1.165 1.00 0.00 H new ATOM 0 HD2 LYS A 14 5.987 19.150 0.653 1.00 0.00 H new ATOM 0 HD3 LYS A 14 4.599 19.878 -0.131 1.00 0.00 H new ATOM 0 HE2 LYS A 14 3.206 18.095 1.266 1.00 0.00 H new ATOM 0 HE3 LYS A 14 4.650 17.999 2.255 1.00 0.00 H new ATOM 0 HZ1 LYS A 14 3.115 19.663 3.105 1.00 0.00 H new ATOM 0 HZ2 LYS A 14 4.550 20.408 2.587 1.00 0.00 H new ATOM 0 HZ3 LYS A 14 3.151 20.502 1.629 1.00 0.00 H new ATOM 221 N GLY A 15 5.155 17.725 -4.354 1.00 0.00 N ATOM 222 CA GLY A 15 6.410 17.779 -5.159 1.00 0.00 C ATOM 223 C GLY A 15 6.078 17.996 -6.637 1.00 0.00 C ATOM 224 O GLY A 15 5.629 19.056 -7.025 1.00 0.00 O ATOM 0 H GLY A 15 4.442 18.407 -4.614 1.00 0.00 H new ATOM 0 HA2 GLY A 15 7.048 18.587 -4.799 1.00 0.00 H new ATOM 0 HA3 GLY A 15 6.970 16.852 -5.036 1.00 0.00 H new ATOM 228 N GLU A 16 6.310 16.977 -7.424 1.00 0.00 N ATOM 229 CA GLU A 16 6.021 17.078 -8.884 1.00 0.00 C ATOM 230 C GLU A 16 5.153 15.910 -9.335 1.00 0.00 C ATOM 231 O GLU A 16 5.568 14.770 -9.272 1.00 0.00 O ATOM 232 CB GLU A 16 7.355 17.022 -9.647 1.00 0.00 C ATOM 233 CG GLU A 16 8.231 18.204 -9.224 1.00 0.00 C ATOM 234 CD GLU A 16 9.682 17.919 -9.612 1.00 0.00 C ATOM 235 OE1 GLU A 16 9.976 18.098 -10.782 1.00 0.00 O ATOM 236 OE2 GLU A 16 10.417 17.537 -8.716 1.00 0.00 O ATOM 0 H GLU A 16 6.687 16.080 -7.118 1.00 0.00 H new ATOM 0 HA GLU A 16 5.494 18.011 -9.084 1.00 0.00 H new ATOM 0 HB2 GLU A 16 7.867 16.083 -9.439 1.00 0.00 H new ATOM 0 HB3 GLU A 16 7.174 17.055 -10.721 1.00 0.00 H new ATOM 0 HG2 GLU A 16 7.886 19.119 -9.706 1.00 0.00 H new ATOM 0 HG3 GLU A 16 8.154 18.362 -8.148 1.00 0.00 H new ATOM 243 N PHE A 17 3.962 16.210 -9.783 1.00 0.00 N ATOM 244 CA PHE A 17 3.064 15.122 -10.238 1.00 0.00 C ATOM 245 C PHE A 17 3.234 14.867 -11.746 1.00 0.00 C ATOM 246 O PHE A 17 3.520 15.777 -12.498 1.00 0.00 O ATOM 247 CB PHE A 17 1.614 15.550 -9.971 1.00 0.00 C ATOM 248 CG PHE A 17 1.313 15.379 -8.482 1.00 0.00 C ATOM 249 CD1 PHE A 17 1.111 14.117 -7.945 1.00 0.00 C ATOM 250 CD2 PHE A 17 1.250 16.480 -7.649 1.00 0.00 C ATOM 251 CE1 PHE A 17 0.853 13.967 -6.599 1.00 0.00 C ATOM 252 CE2 PHE A 17 0.991 16.325 -6.304 1.00 0.00 C ATOM 253 CZ PHE A 17 0.793 15.069 -5.782 1.00 0.00 C ATOM 0 H PHE A 17 3.580 17.153 -9.851 1.00 0.00 H new ATOM 0 HA PHE A 17 3.310 14.207 -9.699 1.00 0.00 H new ATOM 0 HB2 PHE A 17 1.467 16.588 -10.268 1.00 0.00 H new ATOM 0 HB3 PHE A 17 0.928 14.947 -10.566 1.00 0.00 H new ATOM 0 HD1 PHE A 17 1.156 13.247 -8.584 1.00 0.00 H new ATOM 0 HD2 PHE A 17 1.405 17.469 -8.055 1.00 0.00 H new ATOM 0 HE1 PHE A 17 0.698 12.981 -6.186 1.00 0.00 H new ATOM 0 HE2 PHE A 17 0.944 17.191 -5.660 1.00 0.00 H new ATOM 0 HZ PHE A 17 0.590 14.949 -4.728 1.00 0.00 H new ATOM 263 N PRO A 18 3.053 13.620 -12.161 1.00 0.00 N ATOM 264 CA PRO A 18 2.756 12.502 -11.258 1.00 0.00 C ATOM 265 C PRO A 18 3.989 12.119 -10.441 1.00 0.00 C ATOM 266 O PRO A 18 5.077 12.582 -10.721 1.00 0.00 O ATOM 267 CB PRO A 18 2.378 11.336 -12.192 1.00 0.00 C ATOM 268 CG PRO A 18 2.674 11.800 -13.653 1.00 0.00 C ATOM 269 CD PRO A 18 3.109 13.274 -13.582 1.00 0.00 C ATOM 0 HA PRO A 18 1.967 12.755 -10.549 1.00 0.00 H new ATOM 0 HB2 PRO A 18 2.955 10.444 -11.947 1.00 0.00 H new ATOM 0 HB3 PRO A 18 1.326 11.076 -12.077 1.00 0.00 H new ATOM 0 HG2 PRO A 18 3.458 11.188 -14.100 1.00 0.00 H new ATOM 0 HG3 PRO A 18 1.788 11.690 -14.279 1.00 0.00 H new ATOM 0 HD2 PRO A 18 4.114 13.408 -13.981 1.00 0.00 H new ATOM 0 HD3 PRO A 18 2.446 13.909 -14.169 1.00 0.00 H new ATOM 277 N LYS A 19 3.795 11.289 -9.442 1.00 0.00 N ATOM 278 CA LYS A 19 4.960 10.876 -8.599 1.00 0.00 C ATOM 279 C LYS A 19 4.962 9.376 -8.336 1.00 0.00 C ATOM 280 O LYS A 19 3.935 8.787 -8.064 1.00 0.00 O ATOM 281 CB LYS A 19 4.857 11.614 -7.253 1.00 0.00 C ATOM 282 CG LYS A 19 6.091 11.292 -6.405 1.00 0.00 C ATOM 283 CD LYS A 19 6.928 12.564 -6.231 1.00 0.00 C ATOM 284 CE LYS A 19 6.210 13.511 -5.263 1.00 0.00 C ATOM 285 NZ LYS A 19 6.146 14.888 -5.829 1.00 0.00 N ATOM 0 H LYS A 19 2.896 10.886 -9.178 1.00 0.00 H new ATOM 0 HA LYS A 19 5.880 11.126 -9.127 1.00 0.00 H new ATOM 0 HB2 LYS A 19 4.786 12.689 -7.419 1.00 0.00 H new ATOM 0 HB3 LYS A 19 3.951 11.312 -6.728 1.00 0.00 H new ATOM 0 HG2 LYS A 19 5.788 10.906 -5.432 1.00 0.00 H new ATOM 0 HG3 LYS A 19 6.685 10.514 -6.886 1.00 0.00 H new ATOM 0 HD2 LYS A 19 7.917 12.313 -5.847 1.00 0.00 H new ATOM 0 HD3 LYS A 19 7.074 13.052 -7.195 1.00 0.00 H new ATOM 0 HE2 LYS A 19 5.202 13.145 -5.068 1.00 0.00 H new ATOM 0 HE3 LYS A 19 6.734 13.529 -4.307 1.00 0.00 H new ATOM 0 HZ1 LYS A 19 5.339 15.396 -5.415 1.00 0.00 H new ATOM 0 HZ2 LYS A 19 7.026 15.396 -5.607 1.00 0.00 H new ATOM 0 HZ3 LYS A 19 6.028 14.834 -6.861 1.00 0.00 H new ATOM 299 N ASN A 20 6.127 8.784 -8.424 1.00 0.00 N ATOM 300 CA ASN A 20 6.228 7.324 -8.182 1.00 0.00 C ATOM 301 C ASN A 20 6.126 7.018 -6.698 1.00 0.00 C ATOM 302 O ASN A 20 6.313 7.890 -5.872 1.00 0.00 O ATOM 303 CB ASN A 20 7.587 6.841 -8.683 1.00 0.00 C ATOM 304 CG ASN A 20 7.530 6.639 -10.198 1.00 0.00 C ATOM 305 OD1 ASN A 20 6.937 7.537 -10.934 1.00 0.00 O flip ATOM 306 ND2 ASN A 20 8.025 5.662 -10.725 1.00 0.00 N flip ATOM 0 H ASN A 20 7.005 9.251 -8.652 1.00 0.00 H new ATOM 0 HA ASN A 20 5.415 6.821 -8.706 1.00 0.00 H new ATOM 0 HB2 ASN A 20 8.359 7.568 -8.431 1.00 0.00 H new ATOM 0 HB3 ASN A 20 7.857 5.907 -8.191 1.00 0.00 H new ATOM 0 HD21 ASN A 20 8.490 4.956 -10.155 1.00 0.00 H new ATOM 0 HD22 ASN A 20 7.975 5.548 -11.737 1.00 0.00 H new ATOM 313 N LEU A 21 5.825 5.782 -6.383 1.00 0.00 N ATOM 314 CA LEU A 21 5.707 5.403 -4.949 1.00 0.00 C ATOM 315 C LEU A 21 6.335 4.043 -4.686 1.00 0.00 C ATOM 316 O LEU A 21 7.228 3.918 -3.872 1.00 0.00 O ATOM 317 CB LEU A 21 4.222 5.320 -4.585 1.00 0.00 C ATOM 318 CG LEU A 21 3.670 6.725 -4.343 1.00 0.00 C ATOM 319 CD1 LEU A 21 2.207 6.606 -3.928 1.00 0.00 C ATOM 320 CD2 LEU A 21 4.460 7.403 -3.218 1.00 0.00 C ATOM 0 H LEU A 21 5.658 5.030 -7.051 1.00 0.00 H new ATOM 0 HA LEU A 21 6.224 6.153 -4.351 1.00 0.00 H new ATOM 0 HB2 LEU A 21 3.668 4.835 -5.388 1.00 0.00 H new ATOM 0 HB3 LEU A 21 4.090 4.709 -3.692 1.00 0.00 H new ATOM 0 HG LEU A 21 3.759 7.320 -5.252 1.00 0.00 H new ATOM 0 HD11 LEU A 21 1.797 7.600 -3.751 1.00 0.00 H new ATOM 0 HD12 LEU A 21 1.642 6.117 -4.722 1.00 0.00 H new ATOM 0 HD13 LEU A 21 2.135 6.016 -3.014 1.00 0.00 H new ATOM 0 HD21 LEU A 21 4.064 8.404 -3.048 1.00 0.00 H new ATOM 0 HD22 LEU A 21 4.368 6.816 -2.304 1.00 0.00 H new ATOM 0 HD23 LEU A 21 5.510 7.471 -3.501 1.00 0.00 H new ATOM 332 N VAL A 22 5.860 3.046 -5.380 1.00 0.00 N ATOM 333 CA VAL A 22 6.428 1.690 -5.171 1.00 0.00 C ATOM 334 C VAL A 22 6.260 0.828 -6.410 1.00 0.00 C ATOM 335 O VAL A 22 5.364 1.039 -7.200 1.00 0.00 O ATOM 336 CB VAL A 22 5.673 1.029 -4.007 1.00 0.00 C ATOM 337 CG1 VAL A 22 4.276 0.624 -4.481 1.00 0.00 C ATOM 338 CG2 VAL A 22 6.434 -0.220 -3.554 1.00 0.00 C ATOM 0 H VAL A 22 5.114 3.111 -6.073 1.00 0.00 H new ATOM 0 HA VAL A 22 7.493 1.781 -4.956 1.00 0.00 H new ATOM 0 HB VAL A 22 5.592 1.730 -3.176 1.00 0.00 H new ATOM 0 HG11 VAL A 22 3.735 0.154 -3.660 1.00 0.00 H new ATOM 0 HG12 VAL A 22 3.734 1.509 -4.813 1.00 0.00 H new ATOM 0 HG13 VAL A 22 4.362 -0.080 -5.308 1.00 0.00 H new ATOM 0 HG21 VAL A 22 5.901 -0.691 -2.728 1.00 0.00 H new ATOM 0 HG22 VAL A 22 6.509 -0.922 -4.385 1.00 0.00 H new ATOM 0 HG23 VAL A 22 7.434 0.062 -3.226 1.00 0.00 H new ATOM 348 N GLN A 23 7.125 -0.139 -6.558 1.00 0.00 N ATOM 349 CA GLN A 23 7.030 -1.024 -7.740 1.00 0.00 C ATOM 350 C GLN A 23 5.975 -2.099 -7.538 1.00 0.00 C ATOM 351 O GLN A 23 5.674 -2.480 -6.423 1.00 0.00 O ATOM 352 CB GLN A 23 8.391 -1.702 -7.952 1.00 0.00 C ATOM 353 CG GLN A 23 8.665 -1.817 -9.452 1.00 0.00 C ATOM 354 CD GLN A 23 9.393 -3.129 -9.732 1.00 0.00 C ATOM 355 OE1 GLN A 23 10.062 -3.674 -8.878 1.00 0.00 O ATOM 356 NE2 GLN A 23 9.287 -3.671 -10.913 1.00 0.00 N ATOM 0 H GLN A 23 7.887 -0.349 -5.913 1.00 0.00 H new ATOM 0 HA GLN A 23 6.750 -0.423 -8.605 1.00 0.00 H new ATOM 0 HB2 GLN A 23 9.179 -1.123 -7.469 1.00 0.00 H new ATOM 0 HB3 GLN A 23 8.394 -2.690 -7.492 1.00 0.00 H new ATOM 0 HG2 GLN A 23 7.728 -1.781 -10.008 1.00 0.00 H new ATOM 0 HG3 GLN A 23 9.268 -0.974 -9.789 1.00 0.00 H new ATOM 0 HE21 GLN A 23 8.726 -3.217 -11.634 1.00 0.00 H new ATOM 0 HE22 GLN A 23 9.765 -4.549 -11.116 1.00 0.00 H new ATOM 365 N ILE A 24 5.430 -2.570 -8.624 1.00 0.00 N ATOM 366 CA ILE A 24 4.392 -3.620 -8.522 1.00 0.00 C ATOM 367 C ILE A 24 5.011 -5.010 -8.620 1.00 0.00 C ATOM 368 O ILE A 24 6.142 -5.161 -9.034 1.00 0.00 O ATOM 369 CB ILE A 24 3.421 -3.440 -9.684 1.00 0.00 C ATOM 370 CG1 ILE A 24 2.458 -2.289 -9.386 1.00 0.00 C ATOM 371 CG2 ILE A 24 2.618 -4.743 -9.852 1.00 0.00 C ATOM 372 CD1 ILE A 24 1.305 -2.791 -8.511 1.00 0.00 C ATOM 0 H ILE A 24 5.660 -2.272 -9.572 1.00 0.00 H new ATOM 0 HA ILE A 24 3.887 -3.530 -7.561 1.00 0.00 H new ATOM 0 HB ILE A 24 3.974 -3.212 -10.595 1.00 0.00 H new ATOM 0 HG12 ILE A 24 2.987 -1.482 -8.879 1.00 0.00 H new ATOM 0 HG13 ILE A 24 2.068 -1.879 -10.317 1.00 0.00 H new ATOM 0 HG21 ILE A 24 1.917 -4.634 -10.679 1.00 0.00 H new ATOM 0 HG22 ILE A 24 3.301 -5.567 -10.061 1.00 0.00 H new ATOM 0 HG23 ILE A 24 2.067 -4.952 -8.935 1.00 0.00 H new ATOM 0 HD11 ILE A 24 0.622 -1.968 -8.302 1.00 0.00 H new ATOM 0 HD12 ILE A 24 0.769 -3.583 -9.034 1.00 0.00 H new ATOM 0 HD13 ILE A 24 1.702 -3.180 -7.574 1.00 0.00 H new ATOM 384 N LYS A 25 4.248 -6.006 -8.232 1.00 0.00 N ATOM 385 CA LYS A 25 4.768 -7.399 -8.293 1.00 0.00 C ATOM 386 C LYS A 25 3.677 -8.373 -8.742 1.00 0.00 C ATOM 387 O LYS A 25 2.614 -8.434 -8.156 1.00 0.00 O ATOM 388 CB LYS A 25 5.255 -7.789 -6.893 1.00 0.00 C ATOM 389 CG LYS A 25 6.513 -6.976 -6.573 1.00 0.00 C ATOM 390 CD LYS A 25 6.987 -7.306 -5.160 1.00 0.00 C ATOM 391 CE LYS A 25 8.397 -6.741 -4.963 1.00 0.00 C ATOM 392 NZ LYS A 25 9.414 -7.822 -5.086 1.00 0.00 N ATOM 0 H LYS A 25 3.296 -5.910 -7.879 1.00 0.00 H new ATOM 0 HA LYS A 25 5.582 -7.448 -9.016 1.00 0.00 H new ATOM 0 HB2 LYS A 25 4.479 -7.593 -6.153 1.00 0.00 H new ATOM 0 HB3 LYS A 25 5.473 -8.856 -6.851 1.00 0.00 H new ATOM 0 HG2 LYS A 25 7.299 -7.203 -7.294 1.00 0.00 H new ATOM 0 HG3 LYS A 25 6.301 -5.910 -6.657 1.00 0.00 H new ATOM 0 HD2 LYS A 25 6.304 -6.880 -4.425 1.00 0.00 H new ATOM 0 HD3 LYS A 25 6.989 -8.385 -5.006 1.00 0.00 H new ATOM 0 HE2 LYS A 25 8.591 -5.965 -5.704 1.00 0.00 H new ATOM 0 HE3 LYS A 25 8.473 -6.272 -3.982 1.00 0.00 H new ATOM 0 HZ1 LYS A 25 10.335 -7.472 -4.753 1.00 0.00 H new ATOM 0 HZ2 LYS A 25 9.125 -8.638 -4.509 1.00 0.00 H new ATOM 0 HZ3 LYS A 25 9.493 -8.112 -6.081 1.00 0.00 H new ATOM 406 N SER A 26 3.971 -9.118 -9.777 1.00 0.00 N ATOM 407 CA SER A 26 2.980 -10.098 -10.294 1.00 0.00 C ATOM 408 C SER A 26 3.290 -11.496 -9.797 1.00 0.00 C ATOM 409 O SER A 26 3.136 -11.789 -8.631 1.00 0.00 O ATOM 410 CB SER A 26 3.059 -10.090 -11.829 1.00 0.00 C ATOM 411 OG SER A 26 2.004 -10.947 -12.237 1.00 0.00 O ATOM 0 H SER A 26 4.856 -9.087 -10.284 1.00 0.00 H new ATOM 0 HA SER A 26 1.985 -9.820 -9.946 1.00 0.00 H new ATOM 0 HB2 SER A 26 2.932 -9.084 -12.229 1.00 0.00 H new ATOM 0 HB3 SER A 26 4.025 -10.453 -12.180 1.00 0.00 H new ATOM 0 HG SER A 26 1.983 -10.997 -13.216 1.00 0.00 H new ATOM 417 N ASN A 27 3.716 -12.338 -10.696 1.00 0.00 N ATOM 418 CA ASN A 27 4.044 -13.728 -10.299 1.00 0.00 C ATOM 419 C ASN A 27 4.672 -14.483 -11.463 1.00 0.00 C ATOM 420 O ASN A 27 5.728 -15.064 -11.332 1.00 0.00 O ATOM 421 CB ASN A 27 2.740 -14.439 -9.894 1.00 0.00 C ATOM 422 CG ASN A 27 3.035 -15.905 -9.574 1.00 0.00 C ATOM 423 OD1 ASN A 27 2.226 -16.826 -10.023 1.00 0.00 O flip ATOM 424 ND2 ASN A 27 4.003 -16.224 -8.914 1.00 0.00 N flip ATOM 0 H ASN A 27 3.850 -12.122 -11.684 1.00 0.00 H new ATOM 0 HA ASN A 27 4.751 -13.707 -9.470 1.00 0.00 H new ATOM 0 HB2 ASN A 27 2.300 -13.948 -9.026 1.00 0.00 H new ATOM 0 HB3 ASN A 27 2.011 -14.372 -10.702 1.00 0.00 H new ATOM 0 HD21 ASN A 27 4.638 -15.508 -8.561 1.00 0.00 H new ATOM 0 HD22 ASN A 27 4.181 -17.208 -8.713 1.00 0.00 H new ATOM 431 N ARG A 28 4.012 -14.450 -12.588 1.00 0.00 N ATOM 432 CA ARG A 28 4.556 -15.164 -13.776 1.00 0.00 C ATOM 433 C ARG A 28 5.811 -14.477 -14.292 1.00 0.00 C ATOM 434 O ARG A 28 6.365 -14.859 -15.307 1.00 0.00 O ATOM 435 CB ARG A 28 3.497 -15.141 -14.885 1.00 0.00 C ATOM 436 CG ARG A 28 2.380 -16.124 -14.533 1.00 0.00 C ATOM 437 CD ARG A 28 2.770 -17.524 -15.012 1.00 0.00 C ATOM 438 NE ARG A 28 1.931 -18.529 -14.302 1.00 0.00 N ATOM 439 CZ ARG A 28 0.776 -18.168 -13.811 1.00 0.00 C ATOM 440 NH1 ARG A 28 0.730 -17.680 -12.600 1.00 0.00 N ATOM 441 NH2 ARG A 28 -0.293 -18.306 -14.545 1.00 0.00 N ATOM 0 H ARG A 28 3.127 -13.964 -12.735 1.00 0.00 H new ATOM 0 HA ARG A 28 4.805 -16.186 -13.490 1.00 0.00 H new ATOM 0 HB2 ARG A 28 3.091 -14.135 -14.996 1.00 0.00 H new ATOM 0 HB3 ARG A 28 3.947 -15.410 -15.840 1.00 0.00 H new ATOM 0 HG2 ARG A 28 2.210 -16.129 -13.456 1.00 0.00 H new ATOM 0 HG3 ARG A 28 1.446 -15.814 -15.001 1.00 0.00 H new ATOM 0 HD2 ARG A 28 2.627 -17.607 -16.089 1.00 0.00 H new ATOM 0 HD3 ARG A 28 3.826 -17.709 -14.816 1.00 0.00 H new ATOM 0 HE ARG A 28 2.256 -19.491 -14.200 1.00 0.00 H new ATOM 0 HH11 ARG A 28 1.587 -17.586 -12.055 1.00 0.00 H new ATOM 0 HH12 ARG A 28 -0.163 -17.393 -12.200 1.00 0.00 H new ATOM 0 HH21 ARG A 28 -0.219 -18.691 -15.487 1.00 0.00 H new ATOM 0 HH22 ARG A 28 -1.203 -18.029 -14.177 1.00 0.00 H new ATOM 455 N ASP A 29 6.243 -13.481 -13.579 1.00 0.00 N ATOM 456 CA ASP A 29 7.457 -12.749 -14.006 1.00 0.00 C ATOM 457 C ASP A 29 8.681 -13.656 -13.973 1.00 0.00 C ATOM 458 O ASP A 29 9.802 -13.189 -14.008 1.00 0.00 O ATOM 459 CB ASP A 29 7.668 -11.579 -13.034 1.00 0.00 C ATOM 460 CG ASP A 29 8.469 -12.059 -11.819 1.00 0.00 C ATOM 461 OD1 ASP A 29 8.282 -13.212 -11.468 1.00 0.00 O ATOM 462 OD2 ASP A 29 9.223 -11.244 -11.312 1.00 0.00 O ATOM 0 H ASP A 29 5.808 -13.143 -12.720 1.00 0.00 H new ATOM 0 HA ASP A 29 7.326 -12.394 -15.028 1.00 0.00 H new ATOM 0 HB2 ASP A 29 8.198 -10.768 -13.534 1.00 0.00 H new ATOM 0 HB3 ASP A 29 6.705 -11.181 -12.714 1.00 0.00 H new ATOM 467 N LYS A 30 8.439 -14.944 -13.912 1.00 0.00 N ATOM 468 CA LYS A 30 9.568 -15.907 -13.876 1.00 0.00 C ATOM 469 C LYS A 30 9.768 -16.567 -15.237 1.00 0.00 C ATOM 470 O LYS A 30 10.831 -17.080 -15.525 1.00 0.00 O ATOM 471 CB LYS A 30 9.237 -16.999 -12.848 1.00 0.00 C ATOM 472 CG LYS A 30 8.873 -16.342 -11.514 1.00 0.00 C ATOM 473 CD LYS A 30 9.476 -17.161 -10.369 1.00 0.00 C ATOM 474 CE LYS A 30 10.886 -16.645 -10.070 1.00 0.00 C ATOM 475 NZ LYS A 30 11.565 -16.226 -11.328 1.00 0.00 N ATOM 0 H LYS A 30 7.509 -15.362 -13.886 1.00 0.00 H new ATOM 0 HA LYS A 30 10.480 -15.373 -13.609 1.00 0.00 H new ATOM 0 HB2 LYS A 30 8.408 -17.611 -13.204 1.00 0.00 H new ATOM 0 HB3 LYS A 30 10.091 -17.664 -12.718 1.00 0.00 H new ATOM 0 HG2 LYS A 30 9.250 -15.320 -11.484 1.00 0.00 H new ATOM 0 HG3 LYS A 30 7.790 -16.286 -11.406 1.00 0.00 H new ATOM 0 HD2 LYS A 30 8.850 -17.081 -9.480 1.00 0.00 H new ATOM 0 HD3 LYS A 30 9.512 -18.216 -10.640 1.00 0.00 H new ATOM 0 HE2 LYS A 30 10.833 -15.803 -9.380 1.00 0.00 H new ATOM 0 HE3 LYS A 30 11.468 -17.424 -9.577 1.00 0.00 H new ATOM 0 HZ1 LYS A 30 12.562 -16.007 -11.128 1.00 0.00 H new ATOM 0 HZ2 LYS A 30 11.512 -16.997 -12.024 1.00 0.00 H new ATOM 0 HZ3 LYS A 30 11.095 -15.381 -11.711 1.00 0.00 H new ATOM 489 N GLU A 31 8.743 -16.542 -16.054 1.00 0.00 N ATOM 490 CA GLU A 31 8.868 -17.171 -17.401 1.00 0.00 C ATOM 491 C GLU A 31 9.259 -16.147 -18.461 1.00 0.00 C ATOM 492 O GLU A 31 10.064 -16.428 -19.327 1.00 0.00 O ATOM 493 CB GLU A 31 7.509 -17.778 -17.788 1.00 0.00 C ATOM 494 CG GLU A 31 6.385 -16.850 -17.318 1.00 0.00 C ATOM 495 CD GLU A 31 5.109 -17.149 -18.116 1.00 0.00 C ATOM 496 OE1 GLU A 31 5.210 -17.967 -19.016 1.00 0.00 O ATOM 497 OE2 GLU A 31 4.105 -16.542 -17.779 1.00 0.00 O ATOM 0 H GLU A 31 7.838 -16.119 -15.848 1.00 0.00 H new ATOM 0 HA GLU A 31 9.645 -17.934 -17.353 1.00 0.00 H new ATOM 0 HB2 GLU A 31 7.454 -17.916 -18.868 1.00 0.00 H new ATOM 0 HB3 GLU A 31 7.396 -18.763 -17.335 1.00 0.00 H new ATOM 0 HG2 GLU A 31 6.203 -16.992 -16.253 1.00 0.00 H new ATOM 0 HG3 GLU A 31 6.677 -15.809 -17.455 1.00 0.00 H new ATOM 504 N THR A 32 8.685 -14.980 -18.379 1.00 0.00 N ATOM 505 CA THR A 32 9.018 -13.936 -19.381 1.00 0.00 C ATOM 506 C THR A 32 8.674 -12.549 -18.861 1.00 0.00 C ATOM 507 O THR A 32 7.783 -12.396 -18.046 1.00 0.00 O ATOM 508 CB THR A 32 8.181 -14.205 -20.640 1.00 0.00 C ATOM 509 OG1 THR A 32 8.831 -13.502 -21.680 1.00 0.00 O ATOM 510 CG2 THR A 32 6.800 -13.543 -20.528 1.00 0.00 C ATOM 0 H THR A 32 8.006 -14.707 -17.668 1.00 0.00 H new ATOM 0 HA THR A 32 10.087 -13.972 -19.592 1.00 0.00 H new ATOM 0 HB THR A 32 8.078 -15.279 -20.793 1.00 0.00 H new ATOM 0 HG1 THR A 32 8.343 -13.635 -22.519 1.00 0.00 H new ATOM 0 HG21 THR A 32 6.225 -13.747 -21.431 1.00 0.00 H new ATOM 0 HG22 THR A 32 6.273 -13.945 -19.663 1.00 0.00 H new ATOM 0 HG23 THR A 32 6.921 -12.466 -20.410 1.00 0.00 H new ATOM 518 N LYS A 33 9.385 -11.554 -19.329 1.00 0.00 N ATOM 519 CA LYS A 33 9.086 -10.186 -18.856 1.00 0.00 C ATOM 520 C LYS A 33 7.595 -9.943 -18.971 1.00 0.00 C ATOM 521 O LYS A 33 7.056 -9.896 -20.060 1.00 0.00 O ATOM 522 CB LYS A 33 9.836 -9.176 -19.735 1.00 0.00 C ATOM 523 CG LYS A 33 10.128 -7.920 -18.909 1.00 0.00 C ATOM 524 CD LYS A 33 10.684 -6.830 -19.826 1.00 0.00 C ATOM 525 CE LYS A 33 12.185 -6.682 -19.578 1.00 0.00 C ATOM 526 NZ LYS A 33 12.458 -6.489 -18.127 1.00 0.00 N ATOM 0 H LYS A 33 10.144 -11.635 -20.005 1.00 0.00 H new ATOM 0 HA LYS A 33 9.400 -10.071 -17.819 1.00 0.00 H new ATOM 0 HB2 LYS A 33 10.766 -9.612 -20.100 1.00 0.00 H new ATOM 0 HB3 LYS A 33 9.238 -8.921 -20.610 1.00 0.00 H new ATOM 0 HG2 LYS A 33 9.217 -7.572 -18.421 1.00 0.00 H new ATOM 0 HG3 LYS A 33 10.845 -8.148 -18.120 1.00 0.00 H new ATOM 0 HD2 LYS A 33 10.499 -7.086 -20.869 1.00 0.00 H new ATOM 0 HD3 LYS A 33 10.177 -5.884 -19.636 1.00 0.00 H new ATOM 0 HE2 LYS A 33 12.708 -7.568 -19.938 1.00 0.00 H new ATOM 0 HE3 LYS A 33 12.571 -5.833 -20.143 1.00 0.00 H new ATOM 0 HZ1 LYS A 33 13.231 -5.804 -18.007 1.00 0.00 H new ATOM 0 HZ2 LYS A 33 11.602 -6.130 -17.657 1.00 0.00 H new ATOM 0 HZ3 LYS A 33 12.731 -7.398 -17.701 1.00 0.00 H new ATOM 540 N VAL A 34 6.956 -9.786 -17.850 1.00 0.00 N ATOM 541 CA VAL A 34 5.495 -9.548 -17.869 1.00 0.00 C ATOM 542 C VAL A 34 5.147 -8.074 -17.711 1.00 0.00 C ATOM 543 O VAL A 34 5.760 -7.359 -16.943 1.00 0.00 O ATOM 544 CB VAL A 34 4.887 -10.325 -16.692 1.00 0.00 C ATOM 545 CG1 VAL A 34 5.435 -9.762 -15.379 1.00 0.00 C ATOM 546 CG2 VAL A 34 3.369 -10.169 -16.713 1.00 0.00 C ATOM 0 H VAL A 34 7.383 -9.812 -16.924 1.00 0.00 H new ATOM 0 HA VAL A 34 5.100 -9.876 -18.831 1.00 0.00 H new ATOM 0 HB VAL A 34 5.147 -11.380 -16.776 1.00 0.00 H new ATOM 0 HG11 VAL A 34 5.006 -10.311 -14.541 1.00 0.00 H new ATOM 0 HG12 VAL A 34 6.520 -9.866 -15.363 1.00 0.00 H new ATOM 0 HG13 VAL A 34 5.170 -8.708 -15.296 1.00 0.00 H new ATOM 0 HG21 VAL A 34 2.935 -10.720 -15.878 1.00 0.00 H new ATOM 0 HG22 VAL A 34 3.110 -9.114 -16.625 1.00 0.00 H new ATOM 0 HG23 VAL A 34 2.976 -10.562 -17.651 1.00 0.00 H new ATOM 556 N PHE A 35 4.158 -7.655 -18.455 1.00 0.00 N ATOM 557 CA PHE A 35 3.717 -6.240 -18.393 1.00 0.00 C ATOM 558 C PHE A 35 2.503 -6.144 -17.487 1.00 0.00 C ATOM 559 O PHE A 35 1.767 -7.112 -17.342 1.00 0.00 O ATOM 560 CB PHE A 35 3.337 -5.779 -19.809 1.00 0.00 C ATOM 561 CG PHE A 35 4.605 -5.382 -20.590 1.00 0.00 C ATOM 562 CD1 PHE A 35 5.863 -5.827 -20.194 1.00 0.00 C ATOM 563 CD2 PHE A 35 4.509 -4.555 -21.696 1.00 0.00 C ATOM 564 CE1 PHE A 35 6.990 -5.443 -20.892 1.00 0.00 C ATOM 565 CE2 PHE A 35 5.641 -4.176 -22.390 1.00 0.00 C ATOM 566 CZ PHE A 35 6.878 -4.620 -21.986 1.00 0.00 C ATOM 0 H PHE A 35 3.636 -8.241 -19.107 1.00 0.00 H new ATOM 0 HA PHE A 35 4.516 -5.610 -18.003 1.00 0.00 H new ATOM 0 HB2 PHE A 35 2.812 -6.578 -20.332 1.00 0.00 H new ATOM 0 HB3 PHE A 35 2.653 -4.932 -19.754 1.00 0.00 H new ATOM 0 HD1 PHE A 35 5.958 -6.476 -19.336 1.00 0.00 H new ATOM 0 HD2 PHE A 35 3.540 -4.203 -22.019 1.00 0.00 H new ATOM 0 HE1 PHE A 35 7.963 -5.791 -20.577 1.00 0.00 H new ATOM 0 HE2 PHE A 35 5.555 -3.530 -23.251 1.00 0.00 H new ATOM 0 HZ PHE A 35 7.762 -4.321 -22.529 1.00 0.00 H new ATOM 576 N TYR A 36 2.288 -4.979 -16.913 1.00 0.00 N ATOM 577 CA TYR A 36 1.116 -4.821 -16.002 1.00 0.00 C ATOM 578 C TYR A 36 -0.056 -4.059 -16.612 1.00 0.00 C ATOM 579 O TYR A 36 0.018 -3.522 -17.697 1.00 0.00 O ATOM 580 CB TYR A 36 1.594 -4.045 -14.771 1.00 0.00 C ATOM 581 CG TYR A 36 2.372 -4.990 -13.862 1.00 0.00 C ATOM 582 CD1 TYR A 36 1.706 -5.813 -12.981 1.00 0.00 C ATOM 583 CD2 TYR A 36 3.748 -5.042 -13.919 1.00 0.00 C ATOM 584 CE1 TYR A 36 2.405 -6.674 -12.169 1.00 0.00 C ATOM 585 CE2 TYR A 36 4.446 -5.904 -13.106 1.00 0.00 C ATOM 586 CZ TYR A 36 3.780 -6.727 -12.224 1.00 0.00 C ATOM 587 OH TYR A 36 4.476 -7.578 -11.403 1.00 0.00 O ATOM 0 H TYR A 36 2.865 -4.147 -17.036 1.00 0.00 H new ATOM 0 HA TYR A 36 0.751 -5.822 -15.772 1.00 0.00 H new ATOM 0 HB2 TYR A 36 2.225 -3.209 -15.074 1.00 0.00 H new ATOM 0 HB3 TYR A 36 0.742 -3.624 -14.237 1.00 0.00 H new ATOM 0 HD1 TYR A 36 0.628 -5.782 -12.928 1.00 0.00 H new ATOM 0 HD2 TYR A 36 4.281 -4.402 -14.606 1.00 0.00 H new ATOM 0 HE1 TYR A 36 1.871 -7.314 -11.482 1.00 0.00 H new ATOM 0 HE2 TYR A 36 5.524 -5.936 -13.159 1.00 0.00 H new ATOM 0 HH TYR A 36 5.229 -7.965 -11.896 1.00 0.00 H new ATOM 597 N SER A 37 -1.124 -4.053 -15.858 1.00 0.00 N ATOM 598 CA SER A 37 -2.367 -3.364 -16.274 1.00 0.00 C ATOM 599 C SER A 37 -3.199 -3.103 -15.025 1.00 0.00 C ATOM 600 O SER A 37 -3.455 -4.010 -14.269 1.00 0.00 O ATOM 601 CB SER A 37 -3.153 -4.284 -17.221 1.00 0.00 C ATOM 602 OG SER A 37 -4.257 -3.494 -17.638 1.00 0.00 O ATOM 0 H SER A 37 -1.181 -4.511 -14.948 1.00 0.00 H new ATOM 0 HA SER A 37 -2.138 -2.427 -16.782 1.00 0.00 H new ATOM 0 HB2 SER A 37 -2.544 -4.596 -18.069 1.00 0.00 H new ATOM 0 HB3 SER A 37 -3.481 -5.191 -16.713 1.00 0.00 H new ATOM 0 HG SER A 37 -4.816 -4.012 -18.254 1.00 0.00 H new ATOM 608 N ILE A 38 -3.600 -1.871 -14.825 1.00 0.00 N ATOM 609 CA ILE A 38 -4.418 -1.551 -13.610 1.00 0.00 C ATOM 610 C ILE A 38 -5.863 -1.198 -13.943 1.00 0.00 C ATOM 611 O ILE A 38 -6.164 -0.678 -14.999 1.00 0.00 O ATOM 612 CB ILE A 38 -3.763 -0.343 -12.918 1.00 0.00 C ATOM 613 CG1 ILE A 38 -4.807 0.459 -12.149 1.00 0.00 C ATOM 614 CG2 ILE A 38 -3.158 0.567 -14.000 1.00 0.00 C ATOM 615 CD1 ILE A 38 -4.097 1.513 -11.296 1.00 0.00 C ATOM 0 H ILE A 38 -3.401 -1.082 -15.440 1.00 0.00 H new ATOM 0 HA ILE A 38 -4.444 -2.435 -12.973 1.00 0.00 H new ATOM 0 HB ILE A 38 -2.999 -0.698 -12.226 1.00 0.00 H new ATOM 0 HG12 ILE A 38 -5.498 0.939 -12.842 1.00 0.00 H new ATOM 0 HG13 ILE A 38 -5.398 -0.202 -11.515 1.00 0.00 H new ATOM 0 HG21 ILE A 38 -2.688 1.430 -13.528 1.00 0.00 H new ATOM 0 HG22 ILE A 38 -2.411 0.011 -14.566 1.00 0.00 H new ATOM 0 HG23 ILE A 38 -3.946 0.905 -14.673 1.00 0.00 H new ATOM 0 HD11 ILE A 38 -4.837 2.091 -10.742 1.00 0.00 H new ATOM 0 HD12 ILE A 38 -3.423 1.020 -10.595 1.00 0.00 H new ATOM 0 HD13 ILE A 38 -3.525 2.179 -11.942 1.00 0.00 H new ATOM 627 N THR A 39 -6.729 -1.504 -13.010 1.00 0.00 N ATOM 628 CA THR A 39 -8.169 -1.216 -13.196 1.00 0.00 C ATOM 629 C THR A 39 -8.878 -1.221 -11.839 1.00 0.00 C ATOM 630 O THR A 39 -8.383 -1.804 -10.883 1.00 0.00 O ATOM 631 CB THR A 39 -8.779 -2.305 -14.096 1.00 0.00 C ATOM 632 OG1 THR A 39 -10.063 -1.823 -14.445 1.00 0.00 O ATOM 633 CG2 THR A 39 -9.053 -3.594 -13.304 1.00 0.00 C ATOM 0 H THR A 39 -6.490 -1.945 -12.122 1.00 0.00 H new ATOM 0 HA THR A 39 -8.292 -0.236 -13.658 1.00 0.00 H new ATOM 0 HB THR A 39 -8.106 -2.510 -14.929 1.00 0.00 H new ATOM 0 HG1 THR A 39 -10.105 -0.857 -14.284 1.00 0.00 H new ATOM 0 HG21 THR A 39 -9.484 -4.344 -13.967 1.00 0.00 H new ATOM 0 HG22 THR A 39 -8.119 -3.971 -12.888 1.00 0.00 H new ATOM 0 HG23 THR A 39 -9.751 -3.382 -12.494 1.00 0.00 H new ATOM 641 N GLY A 40 -10.014 -0.566 -11.774 1.00 0.00 N ATOM 642 CA GLY A 40 -10.771 -0.524 -10.480 1.00 0.00 C ATOM 643 C GLY A 40 -10.690 0.867 -9.833 1.00 0.00 C ATOM 644 O GLY A 40 -10.215 1.817 -10.430 1.00 0.00 O ATOM 0 H GLY A 40 -10.446 -0.064 -12.550 1.00 0.00 H new ATOM 0 HA2 GLY A 40 -11.814 -0.785 -10.658 1.00 0.00 H new ATOM 0 HA3 GLY A 40 -10.368 -1.270 -9.795 1.00 0.00 H new ATOM 648 N GLN A 41 -11.158 0.946 -8.614 1.00 0.00 N ATOM 649 CA GLN A 41 -11.132 2.244 -7.889 1.00 0.00 C ATOM 650 C GLN A 41 -9.754 2.886 -7.958 1.00 0.00 C ATOM 651 O GLN A 41 -8.758 2.244 -7.708 1.00 0.00 O ATOM 652 CB GLN A 41 -11.479 1.958 -6.408 1.00 0.00 C ATOM 653 CG GLN A 41 -11.393 3.254 -5.587 1.00 0.00 C ATOM 654 CD GLN A 41 -11.252 2.900 -4.103 1.00 0.00 C ATOM 655 OE1 GLN A 41 -10.159 2.814 -3.575 1.00 0.00 O ATOM 656 NE2 GLN A 41 -12.327 2.684 -3.397 1.00 0.00 N ATOM 0 H GLN A 41 -11.556 0.165 -8.092 1.00 0.00 H new ATOM 0 HA GLN A 41 -11.847 2.929 -8.346 1.00 0.00 H new ATOM 0 HB2 GLN A 41 -12.482 1.538 -6.336 1.00 0.00 H new ATOM 0 HB3 GLN A 41 -10.793 1.215 -6.002 1.00 0.00 H new ATOM 0 HG2 GLN A 41 -10.541 3.850 -5.914 1.00 0.00 H new ATOM 0 HG3 GLN A 41 -12.285 3.859 -5.746 1.00 0.00 H new ATOM 0 HE21 GLN A 41 -13.246 2.754 -3.833 1.00 0.00 H new ATOM 0 HE22 GLN A 41 -12.248 2.445 -2.409 1.00 0.00 H new ATOM 665 N GLY A 42 -9.725 4.152 -8.302 1.00 0.00 N ATOM 666 CA GLY A 42 -8.411 4.861 -8.392 1.00 0.00 C ATOM 667 C GLY A 42 -7.948 4.963 -9.845 1.00 0.00 C ATOM 668 O GLY A 42 -7.144 5.819 -10.185 1.00 0.00 O ATOM 0 H GLY A 42 -10.544 4.718 -8.522 1.00 0.00 H new ATOM 0 HA2 GLY A 42 -8.501 5.859 -7.963 1.00 0.00 H new ATOM 0 HA3 GLY A 42 -7.664 4.328 -7.804 1.00 0.00 H new ATOM 672 N ALA A 43 -8.463 4.080 -10.670 1.00 0.00 N ATOM 673 CA ALA A 43 -8.079 4.095 -12.107 1.00 0.00 C ATOM 674 C ALA A 43 -9.288 4.398 -12.979 1.00 0.00 C ATOM 675 O ALA A 43 -9.464 5.512 -13.436 1.00 0.00 O ATOM 676 CB ALA A 43 -7.543 2.702 -12.474 1.00 0.00 C ATOM 0 H ALA A 43 -9.130 3.355 -10.406 1.00 0.00 H new ATOM 0 HA ALA A 43 -7.324 4.864 -12.272 1.00 0.00 H new ATOM 0 HB1 ALA A 43 -7.254 2.688 -13.525 1.00 0.00 H new ATOM 0 HB2 ALA A 43 -6.675 2.472 -11.856 1.00 0.00 H new ATOM 0 HB3 ALA A 43 -8.319 1.956 -12.301 1.00 0.00 H new ATOM 682 N ASP A 44 -10.105 3.399 -13.189 1.00 0.00 N ATOM 683 CA ASP A 44 -11.313 3.601 -14.027 1.00 0.00 C ATOM 684 C ASP A 44 -12.533 3.891 -13.161 1.00 0.00 C ATOM 685 O ASP A 44 -13.504 4.455 -13.628 1.00 0.00 O ATOM 686 CB ASP A 44 -11.570 2.315 -14.825 1.00 0.00 C ATOM 687 CG ASP A 44 -11.643 1.128 -13.863 1.00 0.00 C ATOM 688 OD1 ASP A 44 -11.529 1.387 -12.675 1.00 0.00 O ATOM 689 OD2 ASP A 44 -11.807 0.031 -14.368 1.00 0.00 O ATOM 0 H ASP A 44 -9.985 2.457 -12.816 1.00 0.00 H new ATOM 0 HA ASP A 44 -11.146 4.449 -14.691 1.00 0.00 H new ATOM 0 HB2 ASP A 44 -12.501 2.401 -15.385 1.00 0.00 H new ATOM 0 HB3 ASP A 44 -10.773 2.160 -15.552 1.00 0.00 H new ATOM 694 N LYS A 45 -12.460 3.496 -11.909 1.00 0.00 N ATOM 695 CA LYS A 45 -13.606 3.739 -10.992 1.00 0.00 C ATOM 696 C LYS A 45 -13.318 4.932 -10.061 1.00 0.00 C ATOM 697 O LYS A 45 -12.177 5.187 -9.704 1.00 0.00 O ATOM 698 CB LYS A 45 -13.811 2.478 -10.135 1.00 0.00 C ATOM 699 CG LYS A 45 -14.932 1.633 -10.750 1.00 0.00 C ATOM 700 CD LYS A 45 -15.156 0.386 -9.890 1.00 0.00 C ATOM 701 CE LYS A 45 -16.549 0.453 -9.258 1.00 0.00 C ATOM 702 NZ LYS A 45 -16.647 1.620 -8.337 1.00 0.00 N ATOM 0 H LYS A 45 -11.660 3.020 -11.492 1.00 0.00 H new ATOM 0 HA LYS A 45 -14.496 3.964 -11.580 1.00 0.00 H new ATOM 0 HB2 LYS A 45 -12.887 1.901 -10.088 1.00 0.00 H new ATOM 0 HB3 LYS A 45 -14.067 2.755 -9.112 1.00 0.00 H new ATOM 0 HG2 LYS A 45 -15.851 2.216 -10.811 1.00 0.00 H new ATOM 0 HG3 LYS A 45 -14.669 1.344 -11.768 1.00 0.00 H new ATOM 0 HD2 LYS A 45 -15.063 -0.512 -10.500 1.00 0.00 H new ATOM 0 HD3 LYS A 45 -14.394 0.324 -9.113 1.00 0.00 H new ATOM 0 HE2 LYS A 45 -17.306 0.533 -10.038 1.00 0.00 H new ATOM 0 HE3 LYS A 45 -16.752 -0.468 -8.711 1.00 0.00 H new ATOM 0 HZ1 LYS A 45 -17.436 1.474 -7.675 1.00 0.00 H new ATOM 0 HZ2 LYS A 45 -15.760 1.716 -7.803 1.00 0.00 H new ATOM 0 HZ3 LYS A 45 -16.814 2.485 -8.889 1.00 0.00 H new ATOM 716 N PRO A 46 -14.376 5.635 -9.673 1.00 0.00 N ATOM 717 CA PRO A 46 -14.250 6.794 -8.791 1.00 0.00 C ATOM 718 C PRO A 46 -13.482 6.448 -7.490 1.00 0.00 C ATOM 719 O PRO A 46 -13.748 5.437 -6.872 1.00 0.00 O ATOM 720 CB PRO A 46 -15.708 7.175 -8.436 1.00 0.00 C ATOM 721 CG PRO A 46 -16.647 6.234 -9.249 1.00 0.00 C ATOM 722 CD PRO A 46 -15.751 5.299 -10.072 1.00 0.00 C ATOM 0 HA PRO A 46 -13.695 7.597 -9.276 1.00 0.00 H new ATOM 0 HB2 PRO A 46 -15.884 7.062 -7.366 1.00 0.00 H new ATOM 0 HB3 PRO A 46 -15.903 8.219 -8.683 1.00 0.00 H new ATOM 0 HG2 PRO A 46 -17.290 5.661 -8.581 1.00 0.00 H new ATOM 0 HG3 PRO A 46 -17.301 6.813 -9.901 1.00 0.00 H new ATOM 0 HD2 PRO A 46 -15.977 4.253 -9.864 1.00 0.00 H new ATOM 0 HD3 PRO A 46 -15.899 5.451 -11.141 1.00 0.00 H new ATOM 730 N PRO A 47 -12.531 7.303 -7.098 1.00 0.00 N ATOM 731 CA PRO A 47 -12.144 8.499 -7.857 1.00 0.00 C ATOM 732 C PRO A 47 -11.446 8.105 -9.158 1.00 0.00 C ATOM 733 O PRO A 47 -10.474 7.377 -9.148 1.00 0.00 O ATOM 734 CB PRO A 47 -11.148 9.243 -6.941 1.00 0.00 C ATOM 735 CG PRO A 47 -10.895 8.337 -5.698 1.00 0.00 C ATOM 736 CD PRO A 47 -11.803 7.102 -5.842 1.00 0.00 C ATOM 0 HA PRO A 47 -13.008 9.108 -8.124 1.00 0.00 H new ATOM 0 HB2 PRO A 47 -10.215 9.441 -7.469 1.00 0.00 H new ATOM 0 HB3 PRO A 47 -11.553 10.208 -6.637 1.00 0.00 H new ATOM 0 HG2 PRO A 47 -9.848 8.040 -5.645 1.00 0.00 H new ATOM 0 HG3 PRO A 47 -11.121 8.875 -4.777 1.00 0.00 H new ATOM 0 HD2 PRO A 47 -11.217 6.184 -5.870 1.00 0.00 H new ATOM 0 HD3 PRO A 47 -12.489 7.017 -4.999 1.00 0.00 H new ATOM 744 N VAL A 48 -11.960 8.585 -10.251 1.00 0.00 N ATOM 745 CA VAL A 48 -11.347 8.250 -11.550 1.00 0.00 C ATOM 746 C VAL A 48 -10.032 8.997 -11.760 1.00 0.00 C ATOM 747 O VAL A 48 -9.904 10.151 -11.403 1.00 0.00 O ATOM 748 CB VAL A 48 -12.336 8.658 -12.655 1.00 0.00 C ATOM 749 CG1 VAL A 48 -11.566 8.947 -13.939 1.00 0.00 C ATOM 750 CG2 VAL A 48 -13.317 7.509 -12.905 1.00 0.00 C ATOM 0 H VAL A 48 -12.777 9.194 -10.296 1.00 0.00 H new ATOM 0 HA VAL A 48 -11.132 7.182 -11.577 1.00 0.00 H new ATOM 0 HB VAL A 48 -12.883 9.549 -12.346 1.00 0.00 H new ATOM 0 HG11 VAL A 48 -12.264 9.237 -14.725 1.00 0.00 H new ATOM 0 HG12 VAL A 48 -10.859 9.758 -13.765 1.00 0.00 H new ATOM 0 HG13 VAL A 48 -11.024 8.053 -14.247 1.00 0.00 H new ATOM 0 HG21 VAL A 48 -14.020 7.794 -13.688 1.00 0.00 H new ATOM 0 HG22 VAL A 48 -12.766 6.622 -13.218 1.00 0.00 H new ATOM 0 HG23 VAL A 48 -13.864 7.292 -11.988 1.00 0.00 H new ATOM 760 N GLY A 49 -9.078 8.313 -12.336 1.00 0.00 N ATOM 761 CA GLY A 49 -7.757 8.957 -12.586 1.00 0.00 C ATOM 762 C GLY A 49 -7.065 9.334 -11.274 1.00 0.00 C ATOM 763 O GLY A 49 -7.140 10.465 -10.834 1.00 0.00 O ATOM 0 H GLY A 49 -9.156 7.343 -12.642 1.00 0.00 H new ATOM 0 HA2 GLY A 49 -7.121 8.278 -13.153 1.00 0.00 H new ATOM 0 HA3 GLY A 49 -7.895 9.849 -13.196 1.00 0.00 H new ATOM 767 N VAL A 50 -6.406 8.373 -10.677 1.00 0.00 N ATOM 768 CA VAL A 50 -5.700 8.645 -9.396 1.00 0.00 C ATOM 769 C VAL A 50 -4.360 7.931 -9.374 1.00 0.00 C ATOM 770 O VAL A 50 -3.333 8.534 -9.067 1.00 0.00 O ATOM 771 CB VAL A 50 -6.552 8.111 -8.238 1.00 0.00 C ATOM 772 CG1 VAL A 50 -6.040 8.699 -6.921 1.00 0.00 C ATOM 773 CG2 VAL A 50 -8.002 8.530 -8.444 1.00 0.00 C ATOM 0 H VAL A 50 -6.329 7.416 -11.023 1.00 0.00 H new ATOM 0 HA VAL A 50 -5.542 9.719 -9.298 1.00 0.00 H new ATOM 0 HB VAL A 50 -6.485 7.024 -8.206 1.00 0.00 H new ATOM 0 HG11 VAL A 50 -6.643 8.322 -6.095 1.00 0.00 H new ATOM 0 HG12 VAL A 50 -5.000 8.409 -6.773 1.00 0.00 H new ATOM 0 HG13 VAL A 50 -6.112 9.786 -6.956 1.00 0.00 H new ATOM 0 HG21 VAL A 50 -8.610 8.152 -7.622 1.00 0.00 H new ATOM 0 HG22 VAL A 50 -8.066 9.618 -8.472 1.00 0.00 H new ATOM 0 HG23 VAL A 50 -8.369 8.121 -9.385 1.00 0.00 H new ATOM 783 N PHE A 51 -4.395 6.650 -9.704 1.00 0.00 N ATOM 784 CA PHE A 51 -3.138 5.847 -9.718 1.00 0.00 C ATOM 785 C PHE A 51 -2.756 5.446 -11.140 1.00 0.00 C ATOM 786 O PHE A 51 -3.606 5.176 -11.966 1.00 0.00 O ATOM 787 CB PHE A 51 -3.364 4.545 -8.924 1.00 0.00 C ATOM 788 CG PHE A 51 -3.538 4.846 -7.437 1.00 0.00 C ATOM 789 CD1 PHE A 51 -2.508 5.409 -6.702 1.00 0.00 C ATOM 790 CD2 PHE A 51 -4.718 4.516 -6.795 1.00 0.00 C ATOM 791 CE1 PHE A 51 -2.661 5.635 -5.348 1.00 0.00 C ATOM 792 CE2 PHE A 51 -4.866 4.742 -5.445 1.00 0.00 C ATOM 793 CZ PHE A 51 -3.840 5.299 -4.723 1.00 0.00 C ATOM 0 H PHE A 51 -5.239 6.139 -9.961 1.00 0.00 H new ATOM 0 HA PHE A 51 -2.347 6.456 -9.282 1.00 0.00 H new ATOM 0 HB2 PHE A 51 -4.247 4.031 -9.302 1.00 0.00 H new ATOM 0 HB3 PHE A 51 -2.518 3.873 -9.068 1.00 0.00 H new ATOM 0 HD1 PHE A 51 -1.581 5.672 -7.190 1.00 0.00 H new ATOM 0 HD2 PHE A 51 -5.529 4.078 -7.357 1.00 0.00 H new ATOM 0 HE1 PHE A 51 -1.855 6.076 -4.780 1.00 0.00 H new ATOM 0 HE2 PHE A 51 -5.791 4.481 -4.953 1.00 0.00 H new ATOM 0 HZ PHE A 51 -3.958 5.474 -3.664 1.00 0.00 H new ATOM 803 N ILE A 52 -1.482 5.419 -11.389 1.00 0.00 N ATOM 804 CA ILE A 52 -0.991 5.040 -12.733 1.00 0.00 C ATOM 805 C ILE A 52 0.256 4.175 -12.587 1.00 0.00 C ATOM 806 O ILE A 52 1.240 4.595 -12.007 1.00 0.00 O ATOM 807 CB ILE A 52 -0.648 6.311 -13.521 1.00 0.00 C ATOM 808 CG1 ILE A 52 0.396 7.130 -12.775 1.00 0.00 C ATOM 809 CG2 ILE A 52 -1.928 7.154 -13.661 1.00 0.00 C ATOM 810 CD1 ILE A 52 0.353 8.573 -13.274 1.00 0.00 C ATOM 0 H ILE A 52 -0.754 5.646 -10.711 1.00 0.00 H new ATOM 0 HA ILE A 52 -1.760 4.480 -13.264 1.00 0.00 H new ATOM 0 HB ILE A 52 -0.252 6.035 -14.499 1.00 0.00 H new ATOM 0 HG12 ILE A 52 0.203 7.098 -11.703 1.00 0.00 H new ATOM 0 HG13 ILE A 52 1.388 6.707 -12.933 1.00 0.00 H new ATOM 0 HG21 ILE A 52 -1.705 8.063 -14.219 1.00 0.00 H new ATOM 0 HG22 ILE A 52 -2.686 6.579 -14.192 1.00 0.00 H new ATOM 0 HG23 ILE A 52 -2.300 7.418 -12.671 1.00 0.00 H new ATOM 0 HD11 ILE A 52 1.099 9.164 -12.743 1.00 0.00 H new ATOM 0 HD12 ILE A 52 0.566 8.595 -14.343 1.00 0.00 H new ATOM 0 HD13 ILE A 52 -0.637 8.991 -13.093 1.00 0.00 H new ATOM 822 N ILE A 53 0.183 2.972 -13.098 1.00 0.00 N ATOM 823 CA ILE A 53 1.350 2.054 -13.002 1.00 0.00 C ATOM 824 C ILE A 53 2.032 1.890 -14.350 1.00 0.00 C ATOM 825 O ILE A 53 1.402 1.988 -15.383 1.00 0.00 O ATOM 826 CB ILE A 53 0.843 0.690 -12.529 1.00 0.00 C ATOM 827 CG1 ILE A 53 0.046 0.014 -13.637 1.00 0.00 C ATOM 828 CG2 ILE A 53 -0.090 0.916 -11.326 1.00 0.00 C ATOM 829 CD1 ILE A 53 0.947 -0.981 -14.372 1.00 0.00 C ATOM 0 H ILE A 53 -0.633 2.590 -13.576 1.00 0.00 H new ATOM 0 HA ILE A 53 2.076 2.470 -12.303 1.00 0.00 H new ATOM 0 HB ILE A 53 1.690 0.059 -12.258 1.00 0.00 H new ATOM 0 HG12 ILE A 53 -0.818 -0.501 -13.217 1.00 0.00 H new ATOM 0 HG13 ILE A 53 -0.336 0.760 -14.334 1.00 0.00 H new ATOM 0 HG21 ILE A 53 -0.465 -0.044 -10.971 1.00 0.00 H new ATOM 0 HG22 ILE A 53 0.461 1.409 -10.525 1.00 0.00 H new ATOM 0 HG23 ILE A 53 -0.929 1.543 -11.629 1.00 0.00 H new ATOM 0 HD11 ILE A 53 0.380 -1.467 -15.166 1.00 0.00 H new ATOM 0 HD12 ILE A 53 1.797 -0.452 -14.804 1.00 0.00 H new ATOM 0 HD13 ILE A 53 1.307 -1.733 -13.670 1.00 0.00 H new ATOM 841 N GLU A 54 3.315 1.648 -14.316 1.00 0.00 N ATOM 842 CA GLU A 54 4.054 1.475 -15.590 1.00 0.00 C ATOM 843 C GLU A 54 3.852 0.071 -16.155 1.00 0.00 C ATOM 844 O GLU A 54 4.329 -0.898 -15.606 1.00 0.00 O ATOM 845 CB GLU A 54 5.548 1.689 -15.316 1.00 0.00 C ATOM 846 CG GLU A 54 6.313 1.580 -16.635 1.00 0.00 C ATOM 847 CD GLU A 54 5.728 2.573 -17.643 1.00 0.00 C ATOM 848 OE1 GLU A 54 5.942 3.754 -17.425 1.00 0.00 O ATOM 849 OE2 GLU A 54 5.101 2.093 -18.573 1.00 0.00 O ATOM 0 H GLU A 54 3.875 1.564 -13.468 1.00 0.00 H new ATOM 0 HA GLU A 54 3.680 2.197 -16.316 1.00 0.00 H new ATOM 0 HB2 GLU A 54 5.712 2.667 -14.865 1.00 0.00 H new ATOM 0 HB3 GLU A 54 5.912 0.946 -14.607 1.00 0.00 H new ATOM 0 HG2 GLU A 54 7.371 1.789 -16.474 1.00 0.00 H new ATOM 0 HG3 GLU A 54 6.244 0.565 -17.026 1.00 0.00 H new ATOM 856 N ARG A 55 3.151 -0.004 -17.248 1.00 0.00 N ATOM 857 CA ARG A 55 2.898 -1.324 -17.876 1.00 0.00 C ATOM 858 C ARG A 55 4.202 -2.079 -18.146 1.00 0.00 C ATOM 859 O ARG A 55 4.215 -3.296 -18.195 1.00 0.00 O ATOM 860 CB ARG A 55 2.181 -1.071 -19.223 1.00 0.00 C ATOM 861 CG ARG A 55 2.096 -2.379 -20.016 1.00 0.00 C ATOM 862 CD ARG A 55 1.415 -2.111 -21.361 1.00 0.00 C ATOM 863 NE ARG A 55 0.341 -1.098 -21.173 1.00 0.00 N ATOM 864 CZ ARG A 55 -0.744 -1.175 -21.892 1.00 0.00 C ATOM 865 NH1 ARG A 55 -0.639 -1.429 -23.167 1.00 0.00 N ATOM 866 NH2 ARG A 55 -1.898 -1.002 -21.311 1.00 0.00 N ATOM 0 H ARG A 55 2.742 0.794 -17.734 1.00 0.00 H new ATOM 0 HA ARG A 55 2.293 -1.930 -17.201 1.00 0.00 H new ATOM 0 HB2 ARG A 55 1.181 -0.677 -19.045 1.00 0.00 H new ATOM 0 HB3 ARG A 55 2.722 -0.320 -19.799 1.00 0.00 H new ATOM 0 HG2 ARG A 55 3.094 -2.787 -20.175 1.00 0.00 H new ATOM 0 HG3 ARG A 55 1.534 -3.124 -19.452 1.00 0.00 H new ATOM 0 HD2 ARG A 55 2.145 -1.754 -22.087 1.00 0.00 H new ATOM 0 HD3 ARG A 55 0.995 -3.034 -21.760 1.00 0.00 H new ATOM 0 HE ARG A 55 0.453 -0.350 -20.488 1.00 0.00 H new ATOM 0 HH11 ARG A 55 0.281 -1.564 -23.586 1.00 0.00 H new ATOM 0 HH12 ARG A 55 -1.477 -1.493 -23.745 1.00 0.00 H new ATOM 0 HH21 ARG A 55 -1.941 -0.810 -20.310 1.00 0.00 H new ATOM 0 HH22 ARG A 55 -2.758 -1.059 -21.857 1.00 0.00 H new ATOM 880 N GLU A 56 5.279 -1.348 -18.297 1.00 0.00 N ATOM 881 CA GLU A 56 6.585 -2.016 -18.567 1.00 0.00 C ATOM 882 C GLU A 56 7.353 -2.352 -17.284 1.00 0.00 C ATOM 883 O GLU A 56 7.568 -3.507 -16.976 1.00 0.00 O ATOM 884 CB GLU A 56 7.445 -1.057 -19.405 1.00 0.00 C ATOM 885 CG GLU A 56 6.974 -1.093 -20.861 1.00 0.00 C ATOM 886 CD GLU A 56 7.742 -0.041 -21.664 1.00 0.00 C ATOM 887 OE1 GLU A 56 7.317 1.102 -21.606 1.00 0.00 O ATOM 888 OE2 GLU A 56 8.711 -0.439 -22.289 1.00 0.00 O ATOM 0 H GLU A 56 5.309 -0.330 -18.245 1.00 0.00 H new ATOM 0 HA GLU A 56 6.382 -2.952 -19.086 1.00 0.00 H new ATOM 0 HB2 GLU A 56 7.368 -0.044 -19.011 1.00 0.00 H new ATOM 0 HB3 GLU A 56 8.495 -1.344 -19.343 1.00 0.00 H new ATOM 0 HG2 GLU A 56 7.139 -2.084 -21.285 1.00 0.00 H new ATOM 0 HG3 GLU A 56 5.903 -0.898 -20.914 1.00 0.00 H new ATOM 895 N THR A 57 7.754 -1.340 -16.563 1.00 0.00 N ATOM 896 CA THR A 57 8.512 -1.592 -15.304 1.00 0.00 C ATOM 897 C THR A 57 7.598 -1.981 -14.151 1.00 0.00 C ATOM 898 O THR A 57 8.014 -2.658 -13.230 1.00 0.00 O ATOM 899 CB THR A 57 9.246 -0.301 -14.924 1.00 0.00 C ATOM 900 OG1 THR A 57 8.228 0.614 -14.572 1.00 0.00 O ATOM 901 CG2 THR A 57 9.926 0.327 -16.151 1.00 0.00 C ATOM 0 H THR A 57 7.592 -0.359 -16.788 1.00 0.00 H new ATOM 0 HA THR A 57 9.201 -2.418 -15.480 1.00 0.00 H new ATOM 0 HB THR A 57 9.983 -0.509 -14.148 1.00 0.00 H new ATOM 0 HG1 THR A 57 8.577 1.528 -14.625 1.00 0.00 H new ATOM 0 HG21 THR A 57 10.440 1.241 -15.854 1.00 0.00 H new ATOM 0 HG22 THR A 57 10.648 -0.376 -16.567 1.00 0.00 H new ATOM 0 HG23 THR A 57 9.173 0.562 -16.904 1.00 0.00 H new ATOM 909 N GLY A 58 6.372 -1.556 -14.211 1.00 0.00 N ATOM 910 CA GLY A 58 5.434 -1.905 -13.109 1.00 0.00 C ATOM 911 C GLY A 58 5.550 -0.875 -11.988 1.00 0.00 C ATOM 912 O GLY A 58 5.054 -1.077 -10.895 1.00 0.00 O ATOM 0 H GLY A 58 5.980 -0.990 -14.963 1.00 0.00 H new ATOM 0 HA2 GLY A 58 4.411 -1.934 -13.485 1.00 0.00 H new ATOM 0 HA3 GLY A 58 5.661 -2.900 -12.726 1.00 0.00 H new ATOM 916 N TRP A 59 6.215 0.208 -12.283 1.00 0.00 N ATOM 917 CA TRP A 59 6.382 1.266 -11.261 1.00 0.00 C ATOM 918 C TRP A 59 5.037 1.882 -10.905 1.00 0.00 C ATOM 919 O TRP A 59 4.376 2.460 -11.746 1.00 0.00 O ATOM 920 CB TRP A 59 7.294 2.358 -11.842 1.00 0.00 C ATOM 921 CG TRP A 59 8.694 2.211 -11.245 1.00 0.00 C ATOM 922 CD1 TRP A 59 9.764 1.831 -11.928 1.00 0.00 C ATOM 923 CD2 TRP A 59 8.990 2.433 -9.992 1.00 0.00 C ATOM 924 NE1 TRP A 59 10.745 1.833 -11.006 1.00 0.00 N ATOM 925 CE2 TRP A 59 10.330 2.207 -9.741 1.00 0.00 C ATOM 926 CE3 TRP A 59 8.155 2.841 -8.971 1.00 0.00 C ATOM 927 CZ2 TRP A 59 10.832 2.391 -8.469 1.00 0.00 C ATOM 928 CZ3 TRP A 59 8.658 3.024 -7.701 1.00 0.00 C ATOM 929 CH2 TRP A 59 9.996 2.800 -7.448 1.00 0.00 C ATOM 0 H TRP A 59 6.647 0.401 -13.187 1.00 0.00 H new ATOM 0 HA TRP A 59 6.817 0.833 -10.360 1.00 0.00 H new ATOM 0 HB2 TRP A 59 7.337 2.273 -12.928 1.00 0.00 H new ATOM 0 HB3 TRP A 59 6.890 3.345 -11.615 1.00 0.00 H new ATOM 0 HD1 TRP A 59 9.833 1.579 -12.976 1.00 0.00 H new ATOM 0 HE1 TRP A 59 11.710 1.581 -11.222 1.00 0.00 H new ATOM 0 HE3 TRP A 59 7.108 3.017 -9.168 1.00 0.00 H new ATOM 0 HZ2 TRP A 59 11.879 2.215 -8.271 1.00 0.00 H new ATOM 0 HZ3 TRP A 59 8.004 3.343 -6.903 1.00 0.00 H new ATOM 0 HH2 TRP A 59 10.389 2.944 -6.453 1.00 0.00 H new ATOM 940 N LEU A 60 4.651 1.745 -9.665 1.00 0.00 N ATOM 941 CA LEU A 60 3.351 2.320 -9.250 1.00 0.00 C ATOM 942 C LEU A 60 3.497 3.792 -8.913 1.00 0.00 C ATOM 943 O LEU A 60 4.228 4.161 -8.003 1.00 0.00 O ATOM 944 CB LEU A 60 2.845 1.576 -8.004 1.00 0.00 C ATOM 945 CG LEU A 60 1.311 1.621 -7.989 1.00 0.00 C ATOM 946 CD1 LEU A 60 0.798 1.061 -6.662 1.00 0.00 C ATOM 947 CD2 LEU A 60 0.845 3.073 -8.132 1.00 0.00 C ATOM 0 H LEU A 60 5.176 1.265 -8.934 1.00 0.00 H new ATOM 0 HA LEU A 60 2.645 2.213 -10.074 1.00 0.00 H new ATOM 0 HB2 LEU A 60 3.192 0.543 -8.015 1.00 0.00 H new ATOM 0 HB3 LEU A 60 3.245 2.037 -7.101 1.00 0.00 H new ATOM 0 HG LEU A 60 0.923 1.025 -8.815 1.00 0.00 H new ATOM 0 HD11 LEU A 60 -0.291 1.093 -6.651 1.00 0.00 H new ATOM 0 HD12 LEU A 60 1.132 0.030 -6.549 1.00 0.00 H new ATOM 0 HD13 LEU A 60 1.187 1.661 -5.839 1.00 0.00 H new ATOM 0 HD21 LEU A 60 -0.244 3.108 -8.122 1.00 0.00 H new ATOM 0 HD22 LEU A 60 1.235 3.664 -7.303 1.00 0.00 H new ATOM 0 HD23 LEU A 60 1.212 3.482 -9.073 1.00 0.00 H new ATOM 959 N LYS A 61 2.793 4.605 -9.660 1.00 0.00 N ATOM 960 CA LYS A 61 2.849 6.069 -9.432 1.00 0.00 C ATOM 961 C LYS A 61 1.457 6.622 -9.288 1.00 0.00 C ATOM 962 O LYS A 61 0.505 5.980 -9.655 1.00 0.00 O ATOM 963 CB LYS A 61 3.515 6.743 -10.653 1.00 0.00 C ATOM 964 CG LYS A 61 4.321 5.706 -11.445 1.00 0.00 C ATOM 965 CD LYS A 61 4.830 6.355 -12.737 1.00 0.00 C ATOM 966 CE LYS A 61 5.833 5.418 -13.414 1.00 0.00 C ATOM 967 NZ LYS A 61 6.323 6.015 -14.690 1.00 0.00 N ATOM 0 H LYS A 61 2.181 4.310 -10.420 1.00 0.00 H new ATOM 0 HA LYS A 61 3.419 6.266 -8.524 1.00 0.00 H new ATOM 0 HB2 LYS A 61 2.754 7.191 -11.292 1.00 0.00 H new ATOM 0 HB3 LYS A 61 4.169 7.550 -10.322 1.00 0.00 H new ATOM 0 HG2 LYS A 61 5.159 5.345 -10.849 1.00 0.00 H new ATOM 0 HG3 LYS A 61 3.699 4.842 -11.677 1.00 0.00 H new ATOM 0 HD2 LYS A 61 3.996 6.559 -13.408 1.00 0.00 H new ATOM 0 HD3 LYS A 61 5.302 7.312 -12.515 1.00 0.00 H new ATOM 0 HE2 LYS A 61 6.674 5.231 -12.746 1.00 0.00 H new ATOM 0 HE3 LYS A 61 5.363 4.455 -13.613 1.00 0.00 H new ATOM 0 HZ1 LYS A 61 7.003 5.368 -15.138 1.00 0.00 H new ATOM 0 HZ2 LYS A 61 5.519 6.171 -15.331 1.00 0.00 H new ATOM 0 HZ3 LYS A 61 6.789 6.923 -14.492 1.00 0.00 H new ATOM 981 N VAL A 62 1.358 7.795 -8.727 1.00 0.00 N ATOM 982 CA VAL A 62 0.009 8.408 -8.551 1.00 0.00 C ATOM 983 C VAL A 62 0.016 9.876 -8.933 1.00 0.00 C ATOM 984 O VAL A 62 1.027 10.554 -8.819 1.00 0.00 O ATOM 985 CB VAL A 62 -0.427 8.269 -7.067 1.00 0.00 C ATOM 986 CG1 VAL A 62 0.526 7.327 -6.350 1.00 0.00 C ATOM 987 CG2 VAL A 62 -0.392 9.640 -6.368 1.00 0.00 C ATOM 0 H VAL A 62 2.142 8.351 -8.386 1.00 0.00 H new ATOM 0 HA VAL A 62 -0.691 7.887 -9.204 1.00 0.00 H new ATOM 0 HB VAL A 62 -1.443 7.876 -7.035 1.00 0.00 H new ATOM 0 HG11 VAL A 62 0.223 7.227 -5.308 1.00 0.00 H new ATOM 0 HG12 VAL A 62 0.501 6.349 -6.831 1.00 0.00 H new ATOM 0 HG13 VAL A 62 1.538 7.729 -6.397 1.00 0.00 H new ATOM 0 HG21 VAL A 62 -0.700 9.526 -5.329 1.00 0.00 H new ATOM 0 HG22 VAL A 62 0.621 10.041 -6.404 1.00 0.00 H new ATOM 0 HG23 VAL A 62 -1.072 10.324 -6.875 1.00 0.00 H new ATOM 997 N THR A 63 -1.117 10.331 -9.391 1.00 0.00 N ATOM 998 CA THR A 63 -1.235 11.745 -9.792 1.00 0.00 C ATOM 999 C THR A 63 -1.915 12.521 -8.677 1.00 0.00 C ATOM 1000 O THR A 63 -1.776 13.725 -8.580 1.00 0.00 O ATOM 1001 CB THR A 63 -2.091 11.823 -11.065 1.00 0.00 C ATOM 1002 OG1 THR A 63 -2.882 12.988 -10.925 1.00 0.00 O ATOM 1003 CG2 THR A 63 -3.103 10.672 -11.109 1.00 0.00 C ATOM 0 H THR A 63 -1.965 9.776 -9.502 1.00 0.00 H new ATOM 0 HA THR A 63 -0.249 12.169 -9.981 1.00 0.00 H new ATOM 0 HB THR A 63 -1.445 11.802 -11.943 1.00 0.00 H new ATOM 0 HG1 THR A 63 -3.453 13.092 -11.714 1.00 0.00 H new ATOM 0 HG21 THR A 63 -3.699 10.746 -12.019 1.00 0.00 H new ATOM 0 HG22 THR A 63 -2.572 9.720 -11.100 1.00 0.00 H new ATOM 0 HG23 THR A 63 -3.758 10.730 -10.240 1.00 0.00 H new ATOM 1011 N GLN A 64 -2.648 11.799 -7.847 1.00 0.00 N ATOM 1012 CA GLN A 64 -3.360 12.462 -6.712 1.00 0.00 C ATOM 1013 C GLN A 64 -2.916 11.855 -5.360 1.00 0.00 C ATOM 1014 O GLN A 64 -2.954 10.653 -5.185 1.00 0.00 O ATOM 1015 CB GLN A 64 -4.870 12.208 -6.878 1.00 0.00 C ATOM 1016 CG GLN A 64 -5.355 12.876 -8.164 1.00 0.00 C ATOM 1017 CD GLN A 64 -6.871 13.058 -8.095 1.00 0.00 C ATOM 1018 OE1 GLN A 64 -7.368 14.032 -7.564 1.00 0.00 O ATOM 1019 NE2 GLN A 64 -7.642 12.143 -8.614 1.00 0.00 N ATOM 0 H GLN A 64 -2.778 10.789 -7.912 1.00 0.00 H new ATOM 0 HA GLN A 64 -3.129 13.527 -6.719 1.00 0.00 H new ATOM 0 HB2 GLN A 64 -5.069 11.137 -6.913 1.00 0.00 H new ATOM 0 HB3 GLN A 64 -5.414 12.605 -6.021 1.00 0.00 H new ATOM 0 HG2 GLN A 64 -4.866 13.842 -8.293 1.00 0.00 H new ATOM 0 HG3 GLN A 64 -5.089 12.266 -9.027 1.00 0.00 H new ATOM 0 HE21 GLN A 64 -7.231 11.323 -9.061 1.00 0.00 H new ATOM 0 HE22 GLN A 64 -8.656 12.247 -8.573 1.00 0.00 H new ATOM 1028 N PRO A 65 -2.498 12.705 -4.415 1.00 0.00 N ATOM 1029 CA PRO A 65 -2.057 12.224 -3.100 1.00 0.00 C ATOM 1030 C PRO A 65 -3.206 11.560 -2.353 1.00 0.00 C ATOM 1031 O PRO A 65 -4.356 11.763 -2.689 1.00 0.00 O ATOM 1032 CB PRO A 65 -1.625 13.495 -2.336 1.00 0.00 C ATOM 1033 CG PRO A 65 -1.960 14.718 -3.241 1.00 0.00 C ATOM 1034 CD PRO A 65 -2.445 14.166 -4.593 1.00 0.00 C ATOM 0 HA PRO A 65 -1.258 11.488 -3.192 1.00 0.00 H new ATOM 0 HB2 PRO A 65 -2.150 13.567 -1.383 1.00 0.00 H new ATOM 0 HB3 PRO A 65 -0.559 13.464 -2.111 1.00 0.00 H new ATOM 0 HG2 PRO A 65 -2.729 15.338 -2.780 1.00 0.00 H new ATOM 0 HG3 PRO A 65 -1.081 15.349 -3.376 1.00 0.00 H new ATOM 0 HD2 PRO A 65 -3.424 14.567 -4.854 1.00 0.00 H new ATOM 0 HD3 PRO A 65 -1.763 14.440 -5.398 1.00 0.00 H new ATOM 1042 N LEU A 66 -2.885 10.775 -1.350 1.00 0.00 N ATOM 1043 CA LEU A 66 -3.975 10.109 -0.593 1.00 0.00 C ATOM 1044 C LEU A 66 -4.411 10.981 0.573 1.00 0.00 C ATOM 1045 O LEU A 66 -3.778 11.970 0.873 1.00 0.00 O ATOM 1046 CB LEU A 66 -3.458 8.763 -0.047 1.00 0.00 C ATOM 1047 CG LEU A 66 -2.933 7.887 -1.204 1.00 0.00 C ATOM 1048 CD1 LEU A 66 -3.140 6.415 -0.842 1.00 0.00 C ATOM 1049 CD2 LEU A 66 -3.705 8.190 -2.495 1.00 0.00 C ATOM 0 H LEU A 66 -1.936 10.574 -1.034 1.00 0.00 H new ATOM 0 HA LEU A 66 -4.824 9.947 -1.257 1.00 0.00 H new ATOM 0 HB2 LEU A 66 -2.662 8.937 0.677 1.00 0.00 H new ATOM 0 HB3 LEU A 66 -4.259 8.243 0.478 1.00 0.00 H new ATOM 0 HG LEU A 66 -1.876 8.100 -1.361 1.00 0.00 H new ATOM 0 HD11 LEU A 66 -2.773 5.786 -1.653 1.00 0.00 H new ATOM 0 HD12 LEU A 66 -2.593 6.185 0.072 1.00 0.00 H new ATOM 0 HD13 LEU A 66 -4.202 6.224 -0.687 1.00 0.00 H new ATOM 0 HD21 LEU A 66 -3.324 7.565 -3.302 1.00 0.00 H new ATOM 0 HD22 LEU A 66 -4.764 7.981 -2.343 1.00 0.00 H new ATOM 0 HD23 LEU A 66 -3.577 9.240 -2.758 1.00 0.00 H new ATOM 1061 N ASP A 67 -5.493 10.612 1.204 1.00 0.00 N ATOM 1062 CA ASP A 67 -5.970 11.424 2.351 1.00 0.00 C ATOM 1063 C ASP A 67 -6.685 10.560 3.384 1.00 0.00 C ATOM 1064 O ASP A 67 -7.817 10.168 3.192 1.00 0.00 O ATOM 1065 CB ASP A 67 -6.956 12.476 1.826 1.00 0.00 C ATOM 1066 CG ASP A 67 -7.559 13.231 3.009 1.00 0.00 C ATOM 1067 OD1 ASP A 67 -7.088 12.980 4.106 1.00 0.00 O ATOM 1068 OD2 ASP A 67 -8.455 14.017 2.751 1.00 0.00 O ATOM 0 H ASP A 67 -6.058 9.794 0.976 1.00 0.00 H new ATOM 0 HA ASP A 67 -5.108 11.891 2.828 1.00 0.00 H new ATOM 0 HB2 ASP A 67 -6.445 13.170 1.158 1.00 0.00 H new ATOM 0 HB3 ASP A 67 -7.744 11.996 1.245 1.00 0.00 H new ATOM 1073 N ARG A 68 -6.009 10.284 4.467 1.00 0.00 N ATOM 1074 CA ARG A 68 -6.632 9.448 5.523 1.00 0.00 C ATOM 1075 C ARG A 68 -7.988 10.011 5.935 1.00 0.00 C ATOM 1076 O ARG A 68 -8.895 9.272 6.268 1.00 0.00 O ATOM 1077 CB ARG A 68 -5.708 9.449 6.752 1.00 0.00 C ATOM 1078 CG ARG A 68 -4.491 8.564 6.470 1.00 0.00 C ATOM 1079 CD ARG A 68 -4.143 7.777 7.735 1.00 0.00 C ATOM 1080 NE ARG A 68 -3.985 8.730 8.868 1.00 0.00 N ATOM 1081 CZ ARG A 68 -3.843 8.265 10.078 1.00 0.00 C ATOM 1082 NH1 ARG A 68 -3.734 6.977 10.250 1.00 0.00 N ATOM 1083 NH2 ARG A 68 -3.817 9.106 11.077 1.00 0.00 N ATOM 0 H ARG A 68 -5.059 10.601 4.662 1.00 0.00 H new ATOM 0 HA ARG A 68 -6.774 8.439 5.136 1.00 0.00 H new ATOM 0 HB2 ARG A 68 -5.388 10.466 6.980 1.00 0.00 H new ATOM 0 HB3 ARG A 68 -6.245 9.081 7.626 1.00 0.00 H new ATOM 0 HG2 ARG A 68 -4.705 7.880 5.648 1.00 0.00 H new ATOM 0 HG3 ARG A 68 -3.643 9.176 6.163 1.00 0.00 H new ATOM 0 HD2 ARG A 68 -4.928 7.054 7.957 1.00 0.00 H new ATOM 0 HD3 ARG A 68 -3.223 7.212 7.586 1.00 0.00 H new ATOM 0 HE ARG A 68 -3.988 9.736 8.700 1.00 0.00 H new ATOM 0 HH11 ARG A 68 -3.760 6.351 9.445 1.00 0.00 H new ATOM 0 HH12 ARG A 68 -3.622 6.596 11.189 1.00 0.00 H new ATOM 0 HH21 ARG A 68 -3.907 10.107 10.903 1.00 0.00 H new ATOM 0 HH22 ARG A 68 -3.707 8.762 12.031 1.00 0.00 H new ATOM 1097 N GLU A 69 -8.104 11.312 5.908 1.00 0.00 N ATOM 1098 CA GLU A 69 -9.394 11.934 6.296 1.00 0.00 C ATOM 1099 C GLU A 69 -10.530 11.391 5.441 1.00 0.00 C ATOM 1100 O GLU A 69 -11.650 11.271 5.899 1.00 0.00 O ATOM 1101 CB GLU A 69 -9.287 13.451 6.074 1.00 0.00 C ATOM 1102 CG GLU A 69 -8.195 14.017 6.986 1.00 0.00 C ATOM 1103 CD GLU A 69 -8.409 15.522 7.160 1.00 0.00 C ATOM 1104 OE1 GLU A 69 -9.198 16.050 6.394 1.00 0.00 O ATOM 1105 OE2 GLU A 69 -7.772 16.060 8.052 1.00 0.00 O ATOM 0 H GLU A 69 -7.367 11.962 5.636 1.00 0.00 H new ATOM 0 HA GLU A 69 -9.602 11.706 7.341 1.00 0.00 H new ATOM 0 HB2 GLU A 69 -9.052 13.662 5.031 1.00 0.00 H new ATOM 0 HB3 GLU A 69 -10.242 13.930 6.289 1.00 0.00 H new ATOM 0 HG2 GLU A 69 -8.222 13.520 7.956 1.00 0.00 H new ATOM 0 HG3 GLU A 69 -7.212 13.825 6.557 1.00 0.00 H new ATOM 1112 N ALA A 70 -10.218 11.069 4.212 1.00 0.00 N ATOM 1113 CA ALA A 70 -11.264 10.530 3.307 1.00 0.00 C ATOM 1114 C ALA A 70 -11.187 9.010 3.243 1.00 0.00 C ATOM 1115 O ALA A 70 -12.166 8.329 3.472 1.00 0.00 O ATOM 1116 CB ALA A 70 -11.026 11.098 1.899 1.00 0.00 C ATOM 0 H ALA A 70 -9.288 11.157 3.802 1.00 0.00 H new ATOM 0 HA ALA A 70 -12.246 10.816 3.683 1.00 0.00 H new ATOM 0 HB1 ALA A 70 -11.785 10.713 1.218 1.00 0.00 H new ATOM 0 HB2 ALA A 70 -11.085 12.186 1.931 1.00 0.00 H new ATOM 0 HB3 ALA A 70 -10.039 10.798 1.548 1.00 0.00 H new ATOM 1122 N ILE A 71 -10.018 8.511 2.931 1.00 0.00 N ATOM 1123 CA ILE A 71 -9.842 7.039 2.844 1.00 0.00 C ATOM 1124 C ILE A 71 -8.514 6.623 3.457 1.00 0.00 C ATOM 1125 O ILE A 71 -7.490 7.216 3.181 1.00 0.00 O ATOM 1126 CB ILE A 71 -9.847 6.640 1.369 1.00 0.00 C ATOM 1127 CG1 ILE A 71 -11.253 6.766 0.804 1.00 0.00 C ATOM 1128 CG2 ILE A 71 -9.403 5.173 1.257 1.00 0.00 C ATOM 1129 CD1 ILE A 71 -11.170 6.964 -0.711 1.00 0.00 C ATOM 0 H ILE A 71 -9.182 9.062 2.734 1.00 0.00 H new ATOM 0 HA ILE A 71 -10.650 6.548 3.386 1.00 0.00 H new ATOM 0 HB ILE A 71 -9.172 7.291 0.813 1.00 0.00 H new ATOM 0 HG12 ILE A 71 -11.832 5.872 1.035 1.00 0.00 H new ATOM 0 HG13 ILE A 71 -11.769 7.608 1.265 1.00 0.00 H new ATOM 0 HG21 ILE A 71 -9.401 4.872 0.209 1.00 0.00 H new ATOM 0 HG22 ILE A 71 -8.399 5.064 1.667 1.00 0.00 H new ATOM 0 HG23 ILE A 71 -10.093 4.540 1.815 1.00 0.00 H new ATOM 0 HD11 ILE A 71 -12.176 7.055 -1.122 1.00 0.00 H new ATOM 0 HD12 ILE A 71 -10.606 7.871 -0.929 1.00 0.00 H new ATOM 0 HD13 ILE A 71 -10.670 6.108 -1.163 1.00 0.00 H new ATOM 1141 N ALA A 72 -8.554 5.607 4.281 1.00 0.00 N ATOM 1142 CA ALA A 72 -7.302 5.134 4.926 1.00 0.00 C ATOM 1143 C ALA A 72 -6.722 3.935 4.182 1.00 0.00 C ATOM 1144 O ALA A 72 -5.644 3.472 4.494 1.00 0.00 O ATOM 1145 CB ALA A 72 -7.636 4.703 6.364 1.00 0.00 C ATOM 0 H ALA A 72 -9.397 5.090 4.531 1.00 0.00 H new ATOM 0 HA ALA A 72 -6.569 5.941 4.912 1.00 0.00 H new ATOM 0 HB1 ALA A 72 -6.730 4.351 6.858 1.00 0.00 H new ATOM 0 HB2 ALA A 72 -8.043 5.552 6.913 1.00 0.00 H new ATOM 0 HB3 ALA A 72 -8.372 3.900 6.341 1.00 0.00 H new ATOM 1151 N LYS A 73 -7.448 3.453 3.209 1.00 0.00 N ATOM 1152 CA LYS A 73 -6.949 2.286 2.437 1.00 0.00 C ATOM 1153 C LYS A 73 -7.655 2.185 1.087 1.00 0.00 C ATOM 1154 O LYS A 73 -8.870 2.207 1.019 1.00 0.00 O ATOM 1155 CB LYS A 73 -7.242 1.016 3.250 1.00 0.00 C ATOM 1156 CG LYS A 73 -6.706 -0.207 2.498 1.00 0.00 C ATOM 1157 CD LYS A 73 -7.351 -1.469 3.072 1.00 0.00 C ATOM 1158 CE LYS A 73 -6.706 -1.789 4.426 1.00 0.00 C ATOM 1159 NZ LYS A 73 -5.834 -2.992 4.317 1.00 0.00 N ATOM 0 H LYS A 73 -8.357 3.815 2.920 1.00 0.00 H new ATOM 0 HA LYS A 73 -5.880 2.402 2.259 1.00 0.00 H new ATOM 0 HB2 LYS A 73 -6.776 1.085 4.233 1.00 0.00 H new ATOM 0 HB3 LYS A 73 -8.315 0.915 3.412 1.00 0.00 H new ATOM 0 HG2 LYS A 73 -6.928 -0.122 1.434 1.00 0.00 H new ATOM 0 HG3 LYS A 73 -5.622 -0.262 2.594 1.00 0.00 H new ATOM 0 HD2 LYS A 73 -8.424 -1.322 3.192 1.00 0.00 H new ATOM 0 HD3 LYS A 73 -7.219 -2.305 2.385 1.00 0.00 H new ATOM 0 HE2 LYS A 73 -6.118 -0.936 4.766 1.00 0.00 H new ATOM 0 HE3 LYS A 73 -7.481 -1.961 5.173 1.00 0.00 H new ATOM 0 HZ1 LYS A 73 -5.405 -3.195 5.242 1.00 0.00 H new ATOM 0 HZ2 LYS A 73 -6.404 -3.807 4.013 1.00 0.00 H new ATOM 0 HZ3 LYS A 73 -5.084 -2.815 3.619 1.00 0.00 H new ATOM 1173 N TYR A 74 -6.875 2.073 0.036 1.00 0.00 N ATOM 1174 CA TYR A 74 -7.470 1.969 -1.325 1.00 0.00 C ATOM 1175 C TYR A 74 -7.319 0.564 -1.895 1.00 0.00 C ATOM 1176 O TYR A 74 -6.309 -0.084 -1.699 1.00 0.00 O ATOM 1177 CB TYR A 74 -6.719 2.939 -2.251 1.00 0.00 C ATOM 1178 CG TYR A 74 -6.926 4.376 -1.772 1.00 0.00 C ATOM 1179 CD1 TYR A 74 -6.419 4.792 -0.558 1.00 0.00 C ATOM 1180 CD2 TYR A 74 -7.610 5.284 -2.557 1.00 0.00 C ATOM 1181 CE1 TYR A 74 -6.591 6.094 -0.135 1.00 0.00 C ATOM 1182 CE2 TYR A 74 -7.781 6.586 -2.133 1.00 0.00 C ATOM 1183 CZ TYR A 74 -7.272 7.001 -0.918 1.00 0.00 C ATOM 1184 OH TYR A 74 -7.432 8.306 -0.498 1.00 0.00 O ATOM 0 H TYR A 74 -5.856 2.050 0.067 1.00 0.00 H new ATOM 0 HA TYR A 74 -8.532 2.207 -1.258 1.00 0.00 H new ATOM 0 HB2 TYR A 74 -5.656 2.698 -2.260 1.00 0.00 H new ATOM 0 HB3 TYR A 74 -7.079 2.832 -3.274 1.00 0.00 H new ATOM 0 HD1 TYR A 74 -5.883 4.093 0.066 1.00 0.00 H new ATOM 0 HD2 TYR A 74 -8.014 4.973 -3.509 1.00 0.00 H new ATOM 0 HE1 TYR A 74 -6.189 6.405 0.818 1.00 0.00 H new ATOM 0 HE2 TYR A 74 -8.317 7.286 -2.756 1.00 0.00 H new ATOM 0 HH TYR A 74 -7.935 8.807 -1.173 1.00 0.00 H new ATOM 1194 N ILE A 75 -8.337 0.120 -2.593 1.00 0.00 N ATOM 1195 CA ILE A 75 -8.289 -1.239 -3.197 1.00 0.00 C ATOM 1196 C ILE A 75 -8.069 -1.118 -4.698 1.00 0.00 C ATOM 1197 O ILE A 75 -8.627 -0.241 -5.328 1.00 0.00 O ATOM 1198 CB ILE A 75 -9.626 -1.935 -2.942 1.00 0.00 C ATOM 1199 CG1 ILE A 75 -9.872 -2.038 -1.442 1.00 0.00 C ATOM 1200 CG2 ILE A 75 -9.557 -3.357 -3.528 1.00 0.00 C ATOM 1201 CD1 ILE A 75 -10.875 -3.162 -1.169 1.00 0.00 C ATOM 0 H ILE A 75 -9.195 0.643 -2.768 1.00 0.00 H new ATOM 0 HA ILE A 75 -7.475 -1.813 -2.755 1.00 0.00 H new ATOM 0 HB ILE A 75 -10.431 -1.366 -3.406 1.00 0.00 H new ATOM 0 HG12 ILE A 75 -8.935 -2.237 -0.921 1.00 0.00 H new ATOM 0 HG13 ILE A 75 -10.255 -1.092 -1.059 1.00 0.00 H new ATOM 0 HG21 ILE A 75 -10.504 -3.868 -3.355 1.00 0.00 H new ATOM 0 HG22 ILE A 75 -9.366 -3.300 -4.600 1.00 0.00 H new ATOM 0 HG23 ILE A 75 -8.752 -3.911 -3.045 1.00 0.00 H new ATOM 0 HD11 ILE A 75 -11.053 -3.238 -0.096 1.00 0.00 H new ATOM 0 HD12 ILE A 75 -11.814 -2.944 -1.678 1.00 0.00 H new ATOM 0 HD13 ILE A 75 -10.473 -4.106 -1.538 1.00 0.00 H new ATOM 1213 N LEU A 76 -7.262 -1.993 -5.247 1.00 0.00 N ATOM 1214 CA LEU A 76 -7.002 -1.926 -6.714 1.00 0.00 C ATOM 1215 C LEU A 76 -6.981 -3.305 -7.353 1.00 0.00 C ATOM 1216 O LEU A 76 -6.722 -4.292 -6.698 1.00 0.00 O ATOM 1217 CB LEU A 76 -5.614 -1.287 -6.912 1.00 0.00 C ATOM 1218 CG LEU A 76 -5.703 -0.183 -7.966 1.00 0.00 C ATOM 1219 CD1 LEU A 76 -6.225 1.094 -7.314 1.00 0.00 C ATOM 1220 CD2 LEU A 76 -4.305 0.082 -8.534 1.00 0.00 C ATOM 0 H LEU A 76 -6.779 -2.740 -4.749 1.00 0.00 H new ATOM 0 HA LEU A 76 -7.799 -1.348 -7.182 1.00 0.00 H new ATOM 0 HB2 LEU A 76 -5.254 -0.875 -5.969 1.00 0.00 H new ATOM 0 HB3 LEU A 76 -4.895 -2.044 -7.224 1.00 0.00 H new ATOM 0 HG LEU A 76 -6.377 -0.491 -8.765 1.00 0.00 H new ATOM 0 HD11 LEU A 76 -6.290 1.884 -8.062 1.00 0.00 H new ATOM 0 HD12 LEU A 76 -7.214 0.910 -6.894 1.00 0.00 H new ATOM 0 HD13 LEU A 76 -5.545 1.401 -6.520 1.00 0.00 H new ATOM 0 HD21 LEU A 76 -4.361 0.869 -9.287 1.00 0.00 H new ATOM 0 HD22 LEU A 76 -3.639 0.396 -7.730 1.00 0.00 H new ATOM 0 HD23 LEU A 76 -3.919 -0.830 -8.990 1.00 0.00 H new ATOM 1232 N TYR A 77 -7.273 -3.337 -8.634 1.00 0.00 N ATOM 1233 CA TYR A 77 -7.280 -4.626 -9.372 1.00 0.00 C ATOM 1234 C TYR A 77 -6.311 -4.517 -10.538 1.00 0.00 C ATOM 1235 O TYR A 77 -6.112 -3.438 -11.065 1.00 0.00 O ATOM 1236 CB TYR A 77 -8.698 -4.883 -9.903 1.00 0.00 C ATOM 1237 CG TYR A 77 -9.570 -5.424 -8.763 1.00 0.00 C ATOM 1238 CD1 TYR A 77 -9.542 -6.766 -8.437 1.00 0.00 C ATOM 1239 CD2 TYR A 77 -10.391 -4.578 -8.046 1.00 0.00 C ATOM 1240 CE1 TYR A 77 -10.324 -7.253 -7.407 1.00 0.00 C ATOM 1241 CE2 TYR A 77 -11.172 -5.066 -7.017 1.00 0.00 C ATOM 1242 CZ TYR A 77 -11.145 -6.406 -6.690 1.00 0.00 C ATOM 1243 OH TYR A 77 -11.924 -6.892 -5.659 1.00 0.00 O ATOM 0 H TYR A 77 -7.507 -2.518 -9.195 1.00 0.00 H new ATOM 0 HA TYR A 77 -6.982 -5.446 -8.718 1.00 0.00 H new ATOM 0 HB2 TYR A 77 -9.125 -3.961 -10.298 1.00 0.00 H new ATOM 0 HB3 TYR A 77 -8.668 -5.598 -10.725 1.00 0.00 H new ATOM 0 HD1 TYR A 77 -8.905 -7.439 -8.991 1.00 0.00 H new ATOM 0 HD2 TYR A 77 -10.423 -3.527 -8.291 1.00 0.00 H new ATOM 0 HE1 TYR A 77 -10.293 -8.304 -7.161 1.00 0.00 H new ATOM 0 HE2 TYR A 77 -11.810 -4.393 -6.463 1.00 0.00 H new ATOM 0 HH TYR A 77 -12.438 -6.158 -5.263 1.00 0.00 H new ATOM 1253 N SER A 78 -5.710 -5.615 -10.928 1.00 0.00 N ATOM 1254 CA SER A 78 -4.755 -5.526 -12.066 1.00 0.00 C ATOM 1255 C SER A 78 -4.670 -6.815 -12.889 1.00 0.00 C ATOM 1256 O SER A 78 -5.050 -7.886 -12.443 1.00 0.00 O ATOM 1257 CB SER A 78 -3.363 -5.224 -11.488 1.00 0.00 C ATOM 1258 OG SER A 78 -3.138 -6.270 -10.554 1.00 0.00 O ATOM 0 H SER A 78 -5.836 -6.541 -10.519 1.00 0.00 H new ATOM 0 HA SER A 78 -5.110 -4.743 -12.736 1.00 0.00 H new ATOM 0 HB2 SER A 78 -2.601 -5.216 -12.268 1.00 0.00 H new ATOM 0 HB3 SER A 78 -3.336 -4.247 -11.006 1.00 0.00 H new ATOM 0 HG SER A 78 -2.260 -6.152 -10.136 1.00 0.00 H new ATOM 1264 N HIS A 79 -4.164 -6.659 -14.094 1.00 0.00 N ATOM 1265 CA HIS A 79 -4.010 -7.808 -15.022 1.00 0.00 C ATOM 1266 C HIS A 79 -2.588 -7.799 -15.612 1.00 0.00 C ATOM 1267 O HIS A 79 -1.992 -6.747 -15.744 1.00 0.00 O ATOM 1268 CB HIS A 79 -5.023 -7.642 -16.167 1.00 0.00 C ATOM 1269 CG HIS A 79 -6.251 -6.890 -15.652 1.00 0.00 C ATOM 1270 ND1 HIS A 79 -7.422 -7.320 -15.706 1.00 0.00 N ATOM 1271 CD2 HIS A 79 -6.342 -5.646 -15.048 1.00 0.00 C ATOM 1272 CE1 HIS A 79 -8.244 -6.494 -15.207 1.00 0.00 C ATOM 1273 NE2 HIS A 79 -7.647 -5.389 -14.757 1.00 0.00 N ATOM 0 H HIS A 79 -3.849 -5.765 -14.471 1.00 0.00 H new ATOM 0 HA HIS A 79 -4.180 -8.745 -14.491 1.00 0.00 H new ATOM 0 HB2 HIS A 79 -4.568 -7.096 -16.994 1.00 0.00 H new ATOM 0 HB3 HIS A 79 -5.316 -8.618 -16.553 1.00 0.00 H new ATOM 0 HD1 HIS A 79 -7.684 -8.223 -16.102 1.00 0.00 H new ATOM 0 HD2 HIS A 79 -5.512 -4.987 -14.841 1.00 0.00 H new ATOM 0 HE1 HIS A 79 -9.309 -6.666 -15.152 1.00 0.00 H new ATOM 1281 N ALA A 80 -2.071 -8.967 -15.953 1.00 0.00 N ATOM 1282 CA ALA A 80 -0.682 -9.024 -16.535 1.00 0.00 C ATOM 1283 C ALA A 80 -0.646 -9.687 -17.920 1.00 0.00 C ATOM 1284 O ALA A 80 -1.415 -10.585 -18.214 1.00 0.00 O ATOM 1285 CB ALA A 80 0.196 -9.852 -15.582 1.00 0.00 C ATOM 0 H ALA A 80 -2.542 -9.867 -15.855 1.00 0.00 H new ATOM 0 HA ALA A 80 -0.323 -8.001 -16.649 1.00 0.00 H new ATOM 0 HB1 ALA A 80 1.209 -9.910 -15.979 1.00 0.00 H new ATOM 0 HB2 ALA A 80 0.217 -9.377 -14.601 1.00 0.00 H new ATOM 0 HB3 ALA A 80 -0.215 -10.857 -15.489 1.00 0.00 H new ATOM 1291 N VAL A 81 0.271 -9.225 -18.743 1.00 0.00 N ATOM 1292 CA VAL A 81 0.400 -9.800 -20.121 1.00 0.00 C ATOM 1293 C VAL A 81 1.869 -9.940 -20.493 1.00 0.00 C ATOM 1294 O VAL A 81 2.646 -9.046 -20.258 1.00 0.00 O ATOM 1295 CB VAL A 81 -0.254 -8.831 -21.127 1.00 0.00 C ATOM 1296 CG1 VAL A 81 -1.533 -9.449 -21.695 1.00 0.00 C ATOM 1297 CG2 VAL A 81 -0.599 -7.529 -20.411 1.00 0.00 C ATOM 0 H VAL A 81 0.931 -8.480 -18.520 1.00 0.00 H new ATOM 0 HA VAL A 81 -0.083 -10.777 -20.145 1.00 0.00 H new ATOM 0 HB VAL A 81 0.441 -8.636 -21.944 1.00 0.00 H new ATOM 0 HG11 VAL A 81 -1.987 -8.757 -22.404 1.00 0.00 H new ATOM 0 HG12 VAL A 81 -1.292 -10.383 -22.203 1.00 0.00 H new ATOM 0 HG13 VAL A 81 -2.233 -9.648 -20.883 1.00 0.00 H new ATOM 0 HG21 VAL A 81 -1.062 -6.838 -21.115 1.00 0.00 H new ATOM 0 HG22 VAL A 81 -1.292 -7.735 -19.596 1.00 0.00 H new ATOM 0 HG23 VAL A 81 0.311 -7.082 -20.010 1.00 0.00 H new ATOM 1307 N SER A 82 2.230 -11.045 -21.085 1.00 0.00 N ATOM 1308 CA SER A 82 3.659 -11.207 -21.458 1.00 0.00 C ATOM 1309 C SER A 82 4.079 -10.099 -22.373 1.00 0.00 C ATOM 1310 O SER A 82 3.494 -9.939 -23.413 1.00 0.00 O ATOM 1311 CB SER A 82 3.857 -12.527 -22.211 1.00 0.00 C ATOM 1312 OG SER A 82 3.126 -12.359 -23.417 1.00 0.00 O ATOM 0 H SER A 82 1.614 -11.823 -21.321 1.00 0.00 H new ATOM 0 HA SER A 82 4.252 -11.194 -20.543 1.00 0.00 H new ATOM 0 HB2 SER A 82 4.912 -12.717 -22.409 1.00 0.00 H new ATOM 0 HB3 SER A 82 3.483 -13.373 -21.634 1.00 0.00 H new ATOM 0 HG SER A 82 2.176 -12.240 -23.210 1.00 0.00 H new ATOM 1318 N SER A 83 5.094 -9.355 -21.946 1.00 0.00 N ATOM 1319 CA SER A 83 5.633 -8.204 -22.757 1.00 0.00 C ATOM 1320 C SER A 83 4.669 -7.734 -23.839 1.00 0.00 C ATOM 1321 O SER A 83 4.135 -6.644 -23.773 1.00 0.00 O ATOM 1322 CB SER A 83 6.930 -8.672 -23.432 1.00 0.00 C ATOM 1323 OG SER A 83 6.528 -9.775 -24.230 1.00 0.00 O ATOM 0 H SER A 83 5.573 -9.504 -21.058 1.00 0.00 H new ATOM 0 HA SER A 83 5.794 -7.364 -22.081 1.00 0.00 H new ATOM 0 HB2 SER A 83 7.371 -7.881 -24.039 1.00 0.00 H new ATOM 0 HB3 SER A 83 7.679 -8.965 -22.696 1.00 0.00 H new ATOM 0 HG SER A 83 7.306 -10.137 -24.703 1.00 0.00 H new ATOM 1329 N ASN A 84 4.465 -8.569 -24.812 1.00 0.00 N ATOM 1330 CA ASN A 84 3.548 -8.208 -25.910 1.00 0.00 C ATOM 1331 C ASN A 84 3.283 -9.423 -26.780 1.00 0.00 C ATOM 1332 O ASN A 84 3.411 -9.362 -27.987 1.00 0.00 O ATOM 1333 CB ASN A 84 4.210 -7.113 -26.764 1.00 0.00 C ATOM 1334 CG ASN A 84 5.653 -7.515 -27.081 1.00 0.00 C ATOM 1335 OD1 ASN A 84 6.572 -7.197 -26.354 1.00 0.00 O ATOM 1336 ND2 ASN A 84 5.893 -8.213 -28.157 1.00 0.00 N ATOM 0 H ASN A 84 4.898 -9.489 -24.891 1.00 0.00 H new ATOM 0 HA ASN A 84 2.605 -7.850 -25.497 1.00 0.00 H new ATOM 0 HB2 ASN A 84 3.650 -6.969 -27.688 1.00 0.00 H new ATOM 0 HB3 ASN A 84 4.195 -6.162 -26.231 1.00 0.00 H new ATOM 0 HD21 ASN A 84 6.849 -8.489 -28.384 1.00 0.00 H new ATOM 0 HD22 ASN A 84 5.125 -8.483 -28.772 1.00 0.00 H new ATOM 1343 N GLY A 85 2.919 -10.517 -26.149 1.00 0.00 N ATOM 1344 CA GLY A 85 2.643 -11.751 -26.940 1.00 0.00 C ATOM 1345 C GLY A 85 1.492 -12.573 -26.347 1.00 0.00 C ATOM 1346 O GLY A 85 0.375 -12.504 -26.822 1.00 0.00 O ATOM 0 H GLY A 85 2.804 -10.605 -25.139 1.00 0.00 H new ATOM 0 HA2 GLY A 85 2.400 -11.476 -27.966 1.00 0.00 H new ATOM 0 HA3 GLY A 85 3.543 -12.365 -26.979 1.00 0.00 H new ATOM 1350 N GLU A 86 1.789 -13.331 -25.319 1.00 0.00 N ATOM 1351 CA GLU A 86 0.727 -14.166 -24.685 1.00 0.00 C ATOM 1352 C GLU A 86 0.207 -13.552 -23.395 1.00 0.00 C ATOM 1353 O GLU A 86 0.964 -13.055 -22.583 1.00 0.00 O ATOM 1354 CB GLU A 86 1.337 -15.540 -24.355 1.00 0.00 C ATOM 1355 CG GLU A 86 1.412 -16.384 -25.633 1.00 0.00 C ATOM 1356 CD GLU A 86 2.776 -16.182 -26.293 1.00 0.00 C ATOM 1357 OE1 GLU A 86 3.731 -16.694 -25.731 1.00 0.00 O ATOM 1358 OE2 GLU A 86 2.788 -15.528 -27.323 1.00 0.00 O ATOM 0 H GLU A 86 2.714 -13.406 -24.896 1.00 0.00 H new ATOM 0 HA GLU A 86 -0.108 -14.243 -25.381 1.00 0.00 H new ATOM 0 HB2 GLU A 86 2.333 -15.415 -23.929 1.00 0.00 H new ATOM 0 HB3 GLU A 86 0.731 -16.049 -23.605 1.00 0.00 H new ATOM 0 HG2 GLU A 86 1.262 -17.437 -25.396 1.00 0.00 H new ATOM 0 HG3 GLU A 86 0.616 -16.096 -26.320 1.00 0.00 H new ATOM 1365 N ALA A 87 -1.089 -13.583 -23.242 1.00 0.00 N ATOM 1366 CA ALA A 87 -1.697 -13.013 -22.020 1.00 0.00 C ATOM 1367 C ALA A 87 -1.425 -13.901 -20.807 1.00 0.00 C ATOM 1368 O ALA A 87 -1.587 -15.104 -20.868 1.00 0.00 O ATOM 1369 CB ALA A 87 -3.215 -12.923 -22.236 1.00 0.00 C ATOM 0 H ALA A 87 -1.747 -13.979 -23.913 1.00 0.00 H new ATOM 0 HA ALA A 87 -1.265 -12.030 -21.833 1.00 0.00 H new ATOM 0 HB1 ALA A 87 -3.685 -12.505 -21.346 1.00 0.00 H new ATOM 0 HB2 ALA A 87 -3.423 -12.281 -23.092 1.00 0.00 H new ATOM 0 HB3 ALA A 87 -3.616 -13.919 -22.424 1.00 0.00 H new ATOM 1375 N VAL A 88 -1.013 -13.286 -19.729 1.00 0.00 N ATOM 1376 CA VAL A 88 -0.723 -14.061 -18.490 1.00 0.00 C ATOM 1377 C VAL A 88 -1.325 -13.340 -17.311 1.00 0.00 C ATOM 1378 O VAL A 88 -0.811 -13.383 -16.211 1.00 0.00 O ATOM 1379 CB VAL A 88 0.802 -14.143 -18.294 1.00 0.00 C ATOM 1380 CG1 VAL A 88 1.461 -14.506 -19.621 1.00 0.00 C ATOM 1381 CG2 VAL A 88 1.321 -12.782 -17.827 1.00 0.00 C ATOM 0 H VAL A 88 -0.865 -12.279 -19.655 1.00 0.00 H new ATOM 0 HA VAL A 88 -1.143 -15.063 -18.573 1.00 0.00 H new ATOM 0 HB VAL A 88 1.038 -14.903 -17.549 1.00 0.00 H new ATOM 0 HG11 VAL A 88 2.541 -14.565 -19.487 1.00 0.00 H new ATOM 0 HG12 VAL A 88 1.084 -15.470 -19.962 1.00 0.00 H new ATOM 0 HG13 VAL A 88 1.229 -13.742 -20.363 1.00 0.00 H new ATOM 0 HG21 VAL A 88 2.401 -12.833 -17.686 1.00 0.00 H new ATOM 0 HG22 VAL A 88 1.088 -12.027 -18.578 1.00 0.00 H new ATOM 0 HG23 VAL A 88 0.844 -12.515 -16.884 1.00 0.00 H new ATOM 1391 N GLU A 89 -2.419 -12.685 -17.569 1.00 0.00 N ATOM 1392 CA GLU A 89 -3.097 -11.939 -16.497 1.00 0.00 C ATOM 1393 C GLU A 89 -3.926 -12.844 -15.610 1.00 0.00 C ATOM 1394 O GLU A 89 -4.266 -13.953 -15.972 1.00 0.00 O ATOM 1395 CB GLU A 89 -4.038 -10.920 -17.150 1.00 0.00 C ATOM 1396 CG GLU A 89 -4.520 -11.467 -18.495 1.00 0.00 C ATOM 1397 CD GLU A 89 -5.874 -10.842 -18.833 1.00 0.00 C ATOM 1398 OE1 GLU A 89 -5.921 -9.623 -18.842 1.00 0.00 O ATOM 1399 OE2 GLU A 89 -6.787 -11.619 -19.062 1.00 0.00 O ATOM 0 H GLU A 89 -2.869 -12.639 -18.483 1.00 0.00 H new ATOM 0 HA GLU A 89 -2.336 -11.461 -15.879 1.00 0.00 H new ATOM 0 HB2 GLU A 89 -4.889 -10.724 -16.498 1.00 0.00 H new ATOM 0 HB3 GLU A 89 -3.522 -9.971 -17.294 1.00 0.00 H new ATOM 0 HG2 GLU A 89 -3.795 -11.238 -19.276 1.00 0.00 H new ATOM 0 HG3 GLU A 89 -4.608 -12.553 -18.450 1.00 0.00 H new ATOM 1406 N ASP A 90 -4.236 -12.337 -14.459 1.00 0.00 N ATOM 1407 CA ASP A 90 -5.039 -13.107 -13.501 1.00 0.00 C ATOM 1408 C ASP A 90 -5.720 -12.134 -12.538 1.00 0.00 C ATOM 1409 O ASP A 90 -5.176 -11.094 -12.223 1.00 0.00 O ATOM 1410 CB ASP A 90 -4.099 -14.029 -12.705 1.00 0.00 C ATOM 1411 CG ASP A 90 -3.657 -15.194 -13.595 1.00 0.00 C ATOM 1412 OD1 ASP A 90 -4.547 -15.856 -14.103 1.00 0.00 O ATOM 1413 OD2 ASP A 90 -2.454 -15.357 -13.716 1.00 0.00 O ATOM 0 H ASP A 90 -3.960 -11.408 -14.142 1.00 0.00 H new ATOM 0 HA ASP A 90 -5.791 -13.699 -14.023 1.00 0.00 H new ATOM 0 HB2 ASP A 90 -3.229 -13.470 -12.360 1.00 0.00 H new ATOM 0 HB3 ASP A 90 -4.607 -14.407 -11.818 1.00 0.00 H new ATOM 1418 N PRO A 91 -6.899 -12.483 -12.083 1.00 0.00 N ATOM 1419 CA PRO A 91 -7.624 -11.623 -11.163 1.00 0.00 C ATOM 1420 C PRO A 91 -6.762 -11.286 -9.942 1.00 0.00 C ATOM 1421 O PRO A 91 -6.819 -11.954 -8.926 1.00 0.00 O ATOM 1422 CB PRO A 91 -8.875 -12.448 -10.755 1.00 0.00 C ATOM 1423 CG PRO A 91 -8.797 -13.807 -11.519 1.00 0.00 C ATOM 1424 CD PRO A 91 -7.558 -13.747 -12.426 1.00 0.00 C ATOM 0 HA PRO A 91 -7.895 -10.668 -11.614 1.00 0.00 H new ATOM 0 HB2 PRO A 91 -8.894 -12.612 -9.678 1.00 0.00 H new ATOM 0 HB3 PRO A 91 -9.790 -11.914 -11.012 1.00 0.00 H new ATOM 0 HG2 PRO A 91 -8.721 -14.639 -10.818 1.00 0.00 H new ATOM 0 HG3 PRO A 91 -9.699 -13.969 -12.109 1.00 0.00 H new ATOM 0 HD2 PRO A 91 -6.898 -14.597 -12.250 1.00 0.00 H new ATOM 0 HD3 PRO A 91 -7.838 -13.773 -13.479 1.00 0.00 H new ATOM 1432 N MET A 92 -5.965 -10.247 -10.077 1.00 0.00 N ATOM 1433 CA MET A 92 -5.086 -9.838 -8.948 1.00 0.00 C ATOM 1434 C MET A 92 -5.609 -8.577 -8.273 1.00 0.00 C ATOM 1435 O MET A 92 -5.766 -7.551 -8.908 1.00 0.00 O ATOM 1436 CB MET A 92 -3.686 -9.547 -9.513 1.00 0.00 C ATOM 1437 CG MET A 92 -3.128 -10.818 -10.166 1.00 0.00 C ATOM 1438 SD MET A 92 -2.467 -10.671 -11.845 1.00 0.00 S ATOM 1439 CE MET A 92 -1.422 -9.221 -11.553 1.00 0.00 C ATOM 0 H MET A 92 -5.891 -9.673 -10.917 1.00 0.00 H new ATOM 0 HA MET A 92 -5.061 -10.640 -8.210 1.00 0.00 H new ATOM 0 HB2 MET A 92 -3.737 -8.741 -10.245 1.00 0.00 H new ATOM 0 HB3 MET A 92 -3.022 -9.212 -8.716 1.00 0.00 H new ATOM 0 HG2 MET A 92 -2.336 -11.206 -9.525 1.00 0.00 H new ATOM 0 HG3 MET A 92 -3.921 -11.565 -10.181 1.00 0.00 H new ATOM 0 HE1 MET A 92 -0.568 -9.246 -12.230 1.00 0.00 H new ATOM 0 HE2 MET A 92 -2.000 -8.314 -11.731 1.00 0.00 H new ATOM 0 HE3 MET A 92 -1.068 -9.229 -10.522 1.00 0.00 H new ATOM 1449 N GLU A 93 -5.869 -8.684 -6.992 1.00 0.00 N ATOM 1450 CA GLU A 93 -6.386 -7.510 -6.236 1.00 0.00 C ATOM 1451 C GLU A 93 -5.311 -6.949 -5.312 1.00 0.00 C ATOM 1452 O GLU A 93 -4.905 -7.591 -4.364 1.00 0.00 O ATOM 1453 CB GLU A 93 -7.583 -7.968 -5.387 1.00 0.00 C ATOM 1454 CG GLU A 93 -7.181 -9.190 -4.558 1.00 0.00 C ATOM 1455 CD GLU A 93 -6.951 -8.762 -3.109 1.00 0.00 C ATOM 1456 OE1 GLU A 93 -7.817 -8.066 -2.606 1.00 0.00 O ATOM 1457 OE2 GLU A 93 -5.920 -9.154 -2.586 1.00 0.00 O ATOM 0 H GLU A 93 -5.744 -9.534 -6.442 1.00 0.00 H new ATOM 0 HA GLU A 93 -6.682 -6.733 -6.940 1.00 0.00 H new ATOM 0 HB2 GLU A 93 -7.908 -7.160 -4.731 1.00 0.00 H new ATOM 0 HB3 GLU A 93 -8.427 -8.214 -6.031 1.00 0.00 H new ATOM 0 HG2 GLU A 93 -7.962 -9.949 -4.606 1.00 0.00 H new ATOM 0 HG3 GLU A 93 -6.275 -9.638 -4.965 1.00 0.00 H new ATOM 1464 N ILE A 94 -4.873 -5.757 -5.608 1.00 0.00 N ATOM 1465 CA ILE A 94 -3.826 -5.132 -4.764 1.00 0.00 C ATOM 1466 C ILE A 94 -4.441 -4.331 -3.618 1.00 0.00 C ATOM 1467 O ILE A 94 -5.377 -3.577 -3.813 1.00 0.00 O ATOM 1468 CB ILE A 94 -3.019 -4.178 -5.643 1.00 0.00 C ATOM 1469 CG1 ILE A 94 -2.023 -4.967 -6.480 1.00 0.00 C ATOM 1470 CG2 ILE A 94 -2.242 -3.213 -4.736 1.00 0.00 C ATOM 1471 CD1 ILE A 94 -1.703 -4.180 -7.750 1.00 0.00 C ATOM 0 H ILE A 94 -5.195 -5.193 -6.395 1.00 0.00 H new ATOM 0 HA ILE A 94 -3.200 -5.917 -4.339 1.00 0.00 H new ATOM 0 HB ILE A 94 -3.694 -3.629 -6.300 1.00 0.00 H new ATOM 0 HG12 ILE A 94 -1.112 -5.147 -5.910 1.00 0.00 H new ATOM 0 HG13 ILE A 94 -2.437 -5.942 -6.736 1.00 0.00 H new ATOM 0 HG21 ILE A 94 -1.661 -2.525 -5.350 1.00 0.00 H new ATOM 0 HG22 ILE A 94 -2.943 -2.647 -4.122 1.00 0.00 H new ATOM 0 HG23 ILE A 94 -1.570 -3.780 -4.092 1.00 0.00 H new ATOM 0 HD11 ILE A 94 -0.990 -4.740 -8.355 1.00 0.00 H new ATOM 0 HD12 ILE A 94 -2.618 -4.023 -8.321 1.00 0.00 H new ATOM 0 HD13 ILE A 94 -1.273 -3.215 -7.481 1.00 0.00 H new ATOM 1483 N VAL A 95 -3.894 -4.515 -2.440 1.00 0.00 N ATOM 1484 CA VAL A 95 -4.416 -3.783 -1.254 1.00 0.00 C ATOM 1485 C VAL A 95 -3.475 -2.645 -0.875 1.00 0.00 C ATOM 1486 O VAL A 95 -2.373 -2.884 -0.429 1.00 0.00 O ATOM 1487 CB VAL A 95 -4.489 -4.770 -0.075 1.00 0.00 C ATOM 1488 CG1 VAL A 95 -5.023 -4.041 1.159 1.00 0.00 C ATOM 1489 CG2 VAL A 95 -5.435 -5.919 -0.432 1.00 0.00 C ATOM 0 H VAL A 95 -3.110 -5.140 -2.254 1.00 0.00 H new ATOM 0 HA VAL A 95 -5.398 -3.371 -1.486 1.00 0.00 H new ATOM 0 HB VAL A 95 -3.495 -5.167 0.133 1.00 0.00 H new ATOM 0 HG11 VAL A 95 -5.077 -4.736 1.997 1.00 0.00 H new ATOM 0 HG12 VAL A 95 -4.355 -3.218 1.412 1.00 0.00 H new ATOM 0 HG13 VAL A 95 -6.018 -3.649 0.948 1.00 0.00 H new ATOM 0 HG21 VAL A 95 -5.488 -6.619 0.402 1.00 0.00 H new ATOM 0 HG22 VAL A 95 -6.429 -5.522 -0.636 1.00 0.00 H new ATOM 0 HG23 VAL A 95 -5.062 -6.436 -1.316 1.00 0.00 H new ATOM 1499 N ILE A 96 -3.929 -1.425 -1.057 1.00 0.00 N ATOM 1500 CA ILE A 96 -3.065 -0.259 -0.711 1.00 0.00 C ATOM 1501 C ILE A 96 -3.524 0.409 0.579 1.00 0.00 C ATOM 1502 O ILE A 96 -4.660 0.820 0.693 1.00 0.00 O ATOM 1503 CB ILE A 96 -3.164 0.759 -1.847 1.00 0.00 C ATOM 1504 CG1 ILE A 96 -2.301 0.316 -3.016 1.00 0.00 C ATOM 1505 CG2 ILE A 96 -2.646 2.115 -1.339 1.00 0.00 C ATOM 1506 CD1 ILE A 96 -2.902 0.868 -4.308 1.00 0.00 C ATOM 0 H ILE A 96 -4.851 -1.192 -1.426 1.00 0.00 H new ATOM 0 HA ILE A 96 -2.042 -0.608 -0.572 1.00 0.00 H new ATOM 0 HB ILE A 96 -4.201 0.840 -2.172 1.00 0.00 H new ATOM 0 HG12 ILE A 96 -1.280 0.677 -2.890 1.00 0.00 H new ATOM 0 HG13 ILE A 96 -2.251 -0.772 -3.058 1.00 0.00 H new ATOM 0 HG21 ILE A 96 -2.711 2.852 -2.139 1.00 0.00 H new ATOM 0 HG22 ILE A 96 -3.252 2.443 -0.494 1.00 0.00 H new ATOM 0 HG23 ILE A 96 -1.608 2.013 -1.023 1.00 0.00 H new ATOM 0 HD11 ILE A 96 -2.291 0.557 -5.155 1.00 0.00 H new ATOM 0 HD12 ILE A 96 -3.915 0.485 -4.431 1.00 0.00 H new ATOM 0 HD13 ILE A 96 -2.929 1.957 -4.261 1.00 0.00 H new ATOM 1518 N THR A 97 -2.622 0.504 1.532 1.00 0.00 N ATOM 1519 CA THR A 97 -2.977 1.144 2.830 1.00 0.00 C ATOM 1520 C THR A 97 -2.365 2.538 2.917 1.00 0.00 C ATOM 1521 O THR A 97 -1.321 2.796 2.350 1.00 0.00 O ATOM 1522 CB THR A 97 -2.428 0.276 3.973 1.00 0.00 C ATOM 1523 OG1 THR A 97 -3.122 0.699 5.128 1.00 0.00 O ATOM 1524 CG2 THR A 97 -0.957 0.605 4.269 1.00 0.00 C ATOM 0 H THR A 97 -1.662 0.166 1.462 1.00 0.00 H new ATOM 0 HA THR A 97 -4.061 1.231 2.906 1.00 0.00 H new ATOM 0 HB THR A 97 -2.534 -0.777 3.713 1.00 0.00 H new ATOM 0 HG1 THR A 97 -2.818 0.179 5.901 1.00 0.00 H new ATOM 0 HG21 THR A 97 -0.599 -0.026 5.082 1.00 0.00 H new ATOM 0 HG22 THR A 97 -0.357 0.423 3.377 1.00 0.00 H new ATOM 0 HG23 THR A 97 -0.869 1.652 4.557 1.00 0.00 H new ATOM 1532 N VAL A 98 -3.025 3.413 3.623 1.00 0.00 N ATOM 1533 CA VAL A 98 -2.493 4.796 3.755 1.00 0.00 C ATOM 1534 C VAL A 98 -1.655 4.957 5.015 1.00 0.00 C ATOM 1535 O VAL A 98 -1.890 4.296 6.009 1.00 0.00 O ATOM 1536 CB VAL A 98 -3.683 5.761 3.835 1.00 0.00 C ATOM 1537 CG1 VAL A 98 -3.171 7.201 3.776 1.00 0.00 C ATOM 1538 CG2 VAL A 98 -4.611 5.509 2.647 1.00 0.00 C ATOM 0 H VAL A 98 -3.903 3.232 4.110 1.00 0.00 H new ATOM 0 HA VAL A 98 -1.859 5.008 2.894 1.00 0.00 H new ATOM 0 HB VAL A 98 -4.224 5.602 4.768 1.00 0.00 H new ATOM 0 HG11 VAL A 98 -4.014 7.890 3.833 1.00 0.00 H new ATOM 0 HG12 VAL A 98 -2.498 7.382 4.614 1.00 0.00 H new ATOM 0 HG13 VAL A 98 -2.636 7.359 2.840 1.00 0.00 H new ATOM 0 HG21 VAL A 98 -5.460 6.191 2.697 1.00 0.00 H new ATOM 0 HG22 VAL A 98 -4.066 5.675 1.718 1.00 0.00 H new ATOM 0 HG23 VAL A 98 -4.970 4.480 2.678 1.00 0.00 H new ATOM 1548 N THR A 99 -0.688 5.842 4.942 1.00 0.00 N ATOM 1549 CA THR A 99 0.197 6.086 6.114 1.00 0.00 C ATOM 1550 C THR A 99 0.206 7.567 6.468 1.00 0.00 C ATOM 1551 O THR A 99 0.051 8.411 5.610 1.00 0.00 O ATOM 1552 CB THR A 99 1.620 5.659 5.742 1.00 0.00 C ATOM 1553 OG1 THR A 99 1.583 5.407 4.351 1.00 0.00 O ATOM 1554 CG2 THR A 99 1.964 4.300 6.370 1.00 0.00 C ATOM 0 H THR A 99 -0.477 6.404 4.117 1.00 0.00 H new ATOM 0 HA THR A 99 -0.168 5.518 6.969 1.00 0.00 H new ATOM 0 HB THR A 99 2.330 6.420 6.064 1.00 0.00 H new ATOM 0 HG1 THR A 99 2.471 5.128 4.045 1.00 0.00 H new ATOM 0 HG21 THR A 99 2.979 4.017 6.092 1.00 0.00 H new ATOM 0 HG22 THR A 99 1.892 4.372 7.455 1.00 0.00 H new ATOM 0 HG23 THR A 99 1.265 3.545 6.009 1.00 0.00 H new ATOM 1562 N ASP A 100 0.389 7.860 7.726 1.00 0.00 N ATOM 1563 CA ASP A 100 0.409 9.285 8.148 1.00 0.00 C ATOM 1564 C ASP A 100 1.560 10.038 7.498 1.00 0.00 C ATOM 1565 O ASP A 100 2.430 9.449 6.888 1.00 0.00 O ATOM 1566 CB ASP A 100 0.588 9.338 9.671 1.00 0.00 C ATOM 1567 CG ASP A 100 -0.774 9.193 10.352 1.00 0.00 C ATOM 1568 OD1 ASP A 100 -1.569 10.101 10.173 1.00 0.00 O ATOM 1569 OD2 ASP A 100 -0.943 8.182 11.015 1.00 0.00 O ATOM 0 H ASP A 100 0.524 7.179 8.473 1.00 0.00 H new ATOM 0 HA ASP A 100 -0.527 9.752 7.842 1.00 0.00 H new ATOM 0 HB2 ASP A 100 1.256 8.541 9.997 1.00 0.00 H new ATOM 0 HB3 ASP A 100 1.052 10.281 9.960 1.00 0.00 H new ATOM 1574 N GLN A 101 1.541 11.336 7.643 1.00 0.00 N ATOM 1575 CA GLN A 101 2.621 12.157 7.047 1.00 0.00 C ATOM 1576 C GLN A 101 2.826 13.438 7.848 1.00 0.00 C ATOM 1577 O GLN A 101 3.898 13.685 8.354 1.00 0.00 O ATOM 1578 CB GLN A 101 2.210 12.526 5.612 1.00 0.00 C ATOM 1579 CG GLN A 101 3.450 12.546 4.720 1.00 0.00 C ATOM 1580 CD GLN A 101 3.053 12.992 3.309 1.00 0.00 C ATOM 1581 OE1 GLN A 101 3.211 12.160 2.313 1.00 0.00 O flip ATOM 1582 NE2 GLN A 101 2.595 14.098 3.101 1.00 0.00 N flip ATOM 0 H GLN A 101 0.824 11.857 8.148 1.00 0.00 H new ATOM 0 HA GLN A 101 3.551 11.589 7.053 1.00 0.00 H new ATOM 0 HB2 GLN A 101 1.486 11.805 5.232 1.00 0.00 H new ATOM 0 HB3 GLN A 101 1.724 13.502 5.600 1.00 0.00 H new ATOM 0 HG2 GLN A 101 4.197 13.225 5.132 1.00 0.00 H new ATOM 0 HG3 GLN A 101 3.904 11.555 4.686 1.00 0.00 H new ATOM 0 HE21 GLN A 101 2.469 14.752 3.874 1.00 0.00 H new ATOM 0 HE22 GLN A 101 2.336 14.373 2.153 1.00 0.00 H new ATOM 1591 N ASN A 102 1.784 14.225 7.947 1.00 0.00 N ATOM 1592 CA ASN A 102 1.889 15.498 8.711 1.00 0.00 C ATOM 1593 C ASN A 102 3.188 16.243 8.369 1.00 0.00 C ATOM 1594 O ASN A 102 4.200 16.080 9.023 1.00 0.00 O ATOM 1595 CB ASN A 102 1.860 15.167 10.223 1.00 0.00 C ATOM 1596 CG ASN A 102 1.928 13.649 10.417 1.00 0.00 C ATOM 1597 OD1 ASN A 102 2.981 13.085 10.631 1.00 0.00 O ATOM 1598 ND2 ASN A 102 0.825 12.952 10.356 1.00 0.00 N ATOM 0 H ASN A 102 0.871 14.039 7.533 1.00 0.00 H new ATOM 0 HA ASN A 102 1.052 16.144 8.445 1.00 0.00 H new ATOM 0 HB2 ASN A 102 2.699 15.646 10.727 1.00 0.00 H new ATOM 0 HB3 ASN A 102 0.950 15.561 10.675 1.00 0.00 H new ATOM 0 HD21 ASN A 102 0.853 11.941 10.488 1.00 0.00 H new ATOM 0 HD22 ASN A 102 -0.064 13.419 10.177 1.00 0.00 H new ATOM 1605 N ASP A 103 3.129 17.051 7.344 1.00 0.00 N ATOM 1606 CA ASP A 103 4.340 17.813 6.943 1.00 0.00 C ATOM 1607 C ASP A 103 4.357 19.193 7.595 1.00 0.00 C ATOM 1608 O ASP A 103 5.382 19.844 7.644 1.00 0.00 O ATOM 1609 CB ASP A 103 4.318 17.985 5.413 1.00 0.00 C ATOM 1610 CG ASP A 103 3.022 17.393 4.856 1.00 0.00 C ATOM 1611 OD1 ASP A 103 2.048 18.129 4.855 1.00 0.00 O ATOM 1612 OD2 ASP A 103 3.079 16.240 4.461 1.00 0.00 O ATOM 0 H ASP A 103 2.300 17.214 6.773 1.00 0.00 H new ATOM 0 HA ASP A 103 5.227 17.268 7.265 1.00 0.00 H new ATOM 0 HB2 ASP A 103 4.390 19.041 5.153 1.00 0.00 H new ATOM 0 HB3 ASP A 103 5.179 17.488 4.967 1.00 0.00 H new ATOM 1617 N ASN A 104 3.221 19.613 8.082 1.00 0.00 N ATOM 1618 CA ASN A 104 3.157 20.946 8.733 1.00 0.00 C ATOM 1619 C ASN A 104 2.142 20.946 9.870 1.00 0.00 C ATOM 1620 O ASN A 104 2.193 21.891 10.640 1.00 0.00 O ATOM 1621 CB ASN A 104 2.718 21.975 7.680 1.00 0.00 C ATOM 1622 CG ASN A 104 1.199 21.907 7.504 1.00 0.00 C ATOM 1623 OD1 ASN A 104 0.435 22.555 8.341 1.00 0.00 O flip ATOM 1624 ND2 ASN A 104 0.695 21.265 6.604 1.00 0.00 N flip ATOM 1625 OXT ASN A 104 1.372 20.001 9.909 1.00 0.00 O ATOM 0 H ASN A 104 2.343 19.094 8.056 1.00 0.00 H new ATOM 0 HA ASN A 104 4.137 21.192 9.141 1.00 0.00 H new ATOM 0 HB2 ASN A 104 3.015 22.977 7.989 1.00 0.00 H new ATOM 0 HB3 ASN A 104 3.214 21.774 6.731 1.00 0.00 H new ATOM 0 HD21 ASN A 104 1.287 20.757 5.947 1.00 0.00 H new ATOM 0 HD22 ASN A 104 -0.320 21.234 6.506 1.00 0.00 H new TER 1632 ASN A 104