USER MOD reduce.3.24.130724 H: found=0, std=0, add=860, rem=0, adj=27 USER MOD reduce.3.24.130724 removed 857 hydrogens (0 hets) USER MOD ----------------------------------------------------------------- USER MOD scores for adjustable sidechains, with "set" totals for H,N and Q USER MOD "o" means original, "f" means flipped, "180deg" is methyl default USER MOD "!" flags a clash with an overlap of 0.40A or greater USER MOD flip categories: "K"=keep, "C"=clashes, "X"=uncertain, "F"=flip USER MOD Set 1.1: A 93 LYS NZ :NH3+ 154:sc= 1.64 (180deg=-0.177) USER MOD Set 1.2: A 95 TYR OH : rot 180:sc=-0.00054 USER MOD Set 1.3: A 110 SER OG : rot 110:sc= 0.681 USER MOD Set 2.1: A 62 HIS : no HD1:sc=-0.000224 X(o=-0.00022,f=-0.033) USER MOD Set 2.2: A 85 MET CE :methyl -158:sc= 0 (180deg=0) USER MOD Set 3.1: A 20 CYS SG : rot 180:sc= 0 USER MOD Set 3.2: A 44 ASN : amide:sc= -2.84 K(o=-2.8,f=-9.3!) USER MOD Single : A 1 MET CE :methyl 160:sc= -0.139 (180deg=-0.739) USER MOD Single : A 1 MET N :NH3+ 136:sc= -0.0218 (180deg=-0.202) USER MOD Single : A 2 SER OG : rot 50:sc= 0.0924 USER MOD Single : A 3 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 5 LYS NZ :NH3+ -170:sc= 1.77 (180deg=1.65) USER MOD Single : A 8 CYS SG : rot 180:sc= -0.629 USER MOD Single : A 9 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 17 THR OG1 : rot -130:sc=-0.000105 USER MOD Single : A 27 GLN : amide:sc= -0.0639 X(o=-0.064,f=0) USER MOD Single : A 34 TYR OH : rot 180:sc= 0 USER MOD Single : A 35 HIS : no HE2:sc= -0.994! C(o=-0.99!,f=-6.6!) USER MOD Single : A 36 SER OG : rot 180:sc= 0.386 USER MOD Single : A 38 GLN : amide:sc= 0 X(o=0,f=-0.49) USER MOD Single : A 43 SER OG : rot -170:sc= 0.155 USER MOD Single : A 51 SER OG : rot -162:sc= 1.63 USER MOD Single : A 52 SER OG : rot 180:sc= 0 USER MOD Single : A 55 SER OG : rot -124:sc= 0.11 USER MOD Single : A 63 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 70 SER OG : rot 110:sc= -1.42! USER MOD Single : A 73 LYS NZ :NH3+ -165:sc= 0.67! (180deg=0.209!) USER MOD Single : A 74 LYS NZ :NH3+ -174:sc= 0 (180deg=-0.0329) USER MOD Single : A 75 GLN :FLIP amide:sc= -0.109 F(o=-0.81,f=-0.11) USER MOD Single : A 80 SER OG : rot 180:sc= 0 USER MOD Single : A 84 CYS SG : rot -125:sc= -3.66! USER MOD Single : A 89 GLN : amide:sc= -0.892 X(o=-0.89,f=-0.79) USER MOD Single : A 91 SER OG : rot 180:sc= 0.167 USER MOD Single : A 94 HIS : no HE2:sc= 0.921 K(o=0.92,f=-3!) USER MOD Single : A 100 LYS NZ :NH3+ -171:sc= 1.09 (180deg=0.823) USER MOD Single : A 105 GLN : amide:sc= -0.177 K(o=-0.18,f=-10!) USER MOD ----------------------------------------------------------------- ATOM 1 N MET A 1 -16.968 6.029 12.973 1.00 0.00 N ATOM 2 CA MET A 1 -17.142 6.544 11.598 1.00 0.00 C ATOM 3 C MET A 1 -16.420 5.645 10.604 1.00 0.00 C ATOM 4 O MET A 1 -15.261 5.276 10.808 1.00 0.00 O ATOM 5 CB MET A 1 -16.624 7.985 11.495 1.00 0.00 C ATOM 6 CG MET A 1 -15.149 8.140 11.841 1.00 0.00 C ATOM 7 SD MET A 1 -14.593 9.854 11.800 1.00 0.00 S ATOM 8 CE MET A 1 -15.590 10.565 13.110 1.00 0.00 C ATOM 0 H1 MET A 1 -16.751 6.818 13.614 1.00 0.00 H new ATOM 0 H2 MET A 1 -17.845 5.563 13.283 1.00 0.00 H new ATOM 0 H3 MET A 1 -16.186 5.343 12.991 1.00 0.00 H new ATOM 0 HA MET A 1 -18.205 6.544 11.358 1.00 0.00 H new ATOM 0 HB2 MET A 1 -16.788 8.348 10.480 1.00 0.00 H new ATOM 0 HB3 MET A 1 -17.211 8.619 12.159 1.00 0.00 H new ATOM 0 HG2 MET A 1 -14.969 7.729 12.834 1.00 0.00 H new ATOM 0 HG3 MET A 1 -14.554 7.554 11.141 1.00 0.00 H new ATOM 0 HE1 MET A 1 -15.134 11.494 13.451 1.00 0.00 H new ATOM 0 HE2 MET A 1 -16.593 10.769 12.734 1.00 0.00 H new ATOM 0 HE3 MET A 1 -15.650 9.864 13.943 1.00 0.00 H new ATOM 17 N SER A 2 -17.103 5.272 9.537 1.00 0.00 N ATOM 18 CA SER A 2 -16.510 4.404 8.544 1.00 0.00 C ATOM 19 C SER A 2 -16.975 4.750 7.138 1.00 0.00 C ATOM 20 O SER A 2 -17.993 4.244 6.664 1.00 0.00 O ATOM 21 CB SER A 2 -16.819 2.940 8.872 1.00 0.00 C ATOM 22 OG SER A 2 -18.192 2.755 9.172 1.00 0.00 O ATOM 0 H SER A 2 -18.063 5.556 9.339 1.00 0.00 H new ATOM 0 HA SER A 2 -15.431 4.555 8.572 1.00 0.00 H new ATOM 0 HB2 SER A 2 -16.542 2.310 8.027 1.00 0.00 H new ATOM 0 HB3 SER A 2 -16.214 2.620 9.720 1.00 0.00 H new ATOM 0 HG SER A 2 -18.739 3.169 8.472 1.00 0.00 H new ATOM 28 N GLN A 3 -16.245 5.639 6.485 1.00 0.00 N ATOM 29 CA GLN A 3 -16.477 5.919 5.082 1.00 0.00 C ATOM 30 C GLN A 3 -15.592 5.015 4.237 1.00 0.00 C ATOM 31 O GLN A 3 -14.469 5.379 3.884 1.00 0.00 O ATOM 32 CB GLN A 3 -16.193 7.387 4.758 1.00 0.00 C ATOM 33 CG GLN A 3 -16.512 7.756 3.317 1.00 0.00 C ATOM 34 CD GLN A 3 -16.103 9.172 2.966 1.00 0.00 C ATOM 35 OE1 GLN A 3 -14.984 9.415 2.511 1.00 0.00 O ATOM 36 NE2 GLN A 3 -17.007 10.116 3.170 1.00 0.00 N ATOM 0 H GLN A 3 -15.488 6.178 6.906 1.00 0.00 H new ATOM 0 HA GLN A 3 -17.525 5.724 4.855 1.00 0.00 H new ATOM 0 HB2 GLN A 3 -16.778 8.019 5.426 1.00 0.00 H new ATOM 0 HB3 GLN A 3 -15.142 7.599 4.956 1.00 0.00 H new ATOM 0 HG2 GLN A 3 -16.005 7.060 2.648 1.00 0.00 H new ATOM 0 HG3 GLN A 3 -17.582 7.639 3.146 1.00 0.00 H new ATOM 0 HE21 GLN A 3 -17.922 9.872 3.549 1.00 0.00 H new ATOM 0 HE22 GLN A 3 -16.789 11.087 2.949 1.00 0.00 H new ATOM 45 N TRP A 4 -16.078 3.816 3.963 1.00 0.00 N ATOM 46 CA TRP A 4 -15.336 2.865 3.151 1.00 0.00 C ATOM 47 C TRP A 4 -15.590 3.130 1.678 1.00 0.00 C ATOM 48 O TRP A 4 -16.646 2.782 1.147 1.00 0.00 O ATOM 49 CB TRP A 4 -15.731 1.423 3.490 1.00 0.00 C ATOM 50 CG TRP A 4 -15.280 0.964 4.844 1.00 0.00 C ATOM 51 CD1 TRP A 4 -15.995 1.004 6.005 1.00 0.00 C ATOM 52 CD2 TRP A 4 -14.013 0.380 5.171 1.00 0.00 C ATOM 53 NE1 TRP A 4 -15.247 0.484 7.036 1.00 0.00 N ATOM 54 CE2 TRP A 4 -14.029 0.093 6.549 1.00 0.00 C ATOM 55 CE3 TRP A 4 -12.868 0.070 4.431 1.00 0.00 C ATOM 56 CZ2 TRP A 4 -12.940 -0.485 7.201 1.00 0.00 C ATOM 57 CZ3 TRP A 4 -11.790 -0.503 5.079 1.00 0.00 C ATOM 58 CH2 TRP A 4 -11.833 -0.777 6.452 1.00 0.00 C ATOM 0 H TRP A 4 -16.983 3.478 4.291 1.00 0.00 H new ATOM 0 HA TRP A 4 -14.275 2.992 3.367 1.00 0.00 H new ATOM 0 HB2 TRP A 4 -16.816 1.332 3.431 1.00 0.00 H new ATOM 0 HB3 TRP A 4 -15.313 0.757 2.735 1.00 0.00 H new ATOM 0 HD1 TRP A 4 -17.000 1.387 6.101 1.00 0.00 H new ATOM 0 HE1 TRP A 4 -15.551 0.403 8.006 1.00 0.00 H new ATOM 0 HE3 TRP A 4 -12.827 0.275 3.371 1.00 0.00 H new ATOM 0 HZ2 TRP A 4 -12.970 -0.695 8.260 1.00 0.00 H new ATOM 0 HZ3 TRP A 4 -10.899 -0.744 4.517 1.00 0.00 H new ATOM 0 HH2 TRP A 4 -10.975 -1.228 6.929 1.00 0.00 H new ATOM 69 N LYS A 5 -14.634 3.764 1.024 1.00 0.00 N ATOM 70 CA LYS A 5 -14.762 4.052 -0.391 1.00 0.00 C ATOM 71 C LYS A 5 -14.430 2.813 -1.203 1.00 0.00 C ATOM 72 O LYS A 5 -13.371 2.211 -1.023 1.00 0.00 O ATOM 73 CB LYS A 5 -13.848 5.208 -0.804 1.00 0.00 C ATOM 74 CG LYS A 5 -13.992 5.596 -2.269 1.00 0.00 C ATOM 75 CD LYS A 5 -15.395 6.094 -2.576 1.00 0.00 C ATOM 76 CE LYS A 5 -15.591 6.369 -4.061 1.00 0.00 C ATOM 77 NZ LYS A 5 -15.522 5.129 -4.882 1.00 0.00 N ATOM 0 H LYS A 5 -13.765 4.088 1.448 1.00 0.00 H new ATOM 0 HA LYS A 5 -15.793 4.348 -0.586 1.00 0.00 H new ATOM 0 HB2 LYS A 5 -14.068 6.076 -0.182 1.00 0.00 H new ATOM 0 HB3 LYS A 5 -12.812 4.930 -0.609 1.00 0.00 H new ATOM 0 HG2 LYS A 5 -13.267 6.372 -2.514 1.00 0.00 H new ATOM 0 HG3 LYS A 5 -13.764 4.736 -2.899 1.00 0.00 H new ATOM 0 HD2 LYS A 5 -16.123 5.353 -2.245 1.00 0.00 H new ATOM 0 HD3 LYS A 5 -15.588 7.005 -2.010 1.00 0.00 H new ATOM 0 HE2 LYS A 5 -16.557 6.850 -4.214 1.00 0.00 H new ATOM 0 HE3 LYS A 5 -14.829 7.070 -4.402 1.00 0.00 H new ATOM 0 HZ1 LYS A 5 -15.491 5.382 -5.890 1.00 0.00 H new ATOM 0 HZ2 LYS A 5 -14.666 4.595 -4.632 1.00 0.00 H new ATOM 0 HZ3 LYS A 5 -16.361 4.543 -4.698 1.00 0.00 H new ATOM 91 N ASP A 6 -15.346 2.422 -2.072 1.00 0.00 N ATOM 92 CA ASP A 6 -15.117 1.305 -2.970 1.00 0.00 C ATOM 93 C ASP A 6 -14.097 1.707 -4.027 1.00 0.00 C ATOM 94 O ASP A 6 -14.117 2.832 -4.528 1.00 0.00 O ATOM 95 CB ASP A 6 -16.426 0.866 -3.632 1.00 0.00 C ATOM 96 CG ASP A 6 -16.950 1.875 -4.636 1.00 0.00 C ATOM 97 OD1 ASP A 6 -17.228 3.031 -4.243 1.00 0.00 O ATOM 98 OD2 ASP A 6 -17.086 1.516 -5.826 1.00 0.00 O ATOM 0 H ASP A 6 -16.259 2.864 -2.174 1.00 0.00 H new ATOM 0 HA ASP A 6 -14.730 0.462 -2.397 1.00 0.00 H new ATOM 0 HB2 ASP A 6 -16.271 -0.090 -4.133 1.00 0.00 H new ATOM 0 HB3 ASP A 6 -17.180 0.703 -2.862 1.00 0.00 H new ATOM 103 N ILE A 7 -13.188 0.805 -4.334 1.00 0.00 N ATOM 104 CA ILE A 7 -12.155 1.080 -5.315 1.00 0.00 C ATOM 105 C ILE A 7 -12.371 0.236 -6.559 1.00 0.00 C ATOM 106 O ILE A 7 -12.790 0.731 -7.606 1.00 0.00 O ATOM 107 CB ILE A 7 -10.751 0.784 -4.744 1.00 0.00 C ATOM 108 CG1 ILE A 7 -10.515 1.585 -3.462 1.00 0.00 C ATOM 109 CG2 ILE A 7 -9.679 1.088 -5.779 1.00 0.00 C ATOM 110 CD1 ILE A 7 -10.648 3.080 -3.642 1.00 0.00 C ATOM 0 H ILE A 7 -13.142 -0.126 -3.919 1.00 0.00 H new ATOM 0 HA ILE A 7 -12.217 2.138 -5.571 1.00 0.00 H new ATOM 0 HB ILE A 7 -10.693 -0.276 -4.498 1.00 0.00 H new ATOM 0 HG12 ILE A 7 -11.225 1.255 -2.703 1.00 0.00 H new ATOM 0 HG13 ILE A 7 -9.517 1.362 -3.084 1.00 0.00 H new ATOM 0 HG21 ILE A 7 -8.696 0.873 -5.359 1.00 0.00 H new ATOM 0 HG22 ILE A 7 -9.839 0.469 -6.662 1.00 0.00 H new ATOM 0 HG23 ILE A 7 -9.732 2.140 -6.059 1.00 0.00 H new ATOM 0 HD11 ILE A 7 -10.467 3.579 -2.690 1.00 0.00 H new ATOM 0 HD12 ILE A 7 -9.920 3.424 -4.376 1.00 0.00 H new ATOM 0 HD13 ILE A 7 -11.654 3.317 -3.990 1.00 0.00 H new ATOM 122 N CYS A 8 -12.103 -1.042 -6.417 1.00 0.00 N ATOM 123 CA CYS A 8 -12.248 -2.000 -7.491 1.00 0.00 C ATOM 124 C CYS A 8 -12.423 -3.375 -6.880 1.00 0.00 C ATOM 125 O CYS A 8 -12.689 -3.486 -5.687 1.00 0.00 O ATOM 126 CB CYS A 8 -11.024 -1.961 -8.411 1.00 0.00 C ATOM 127 SG CYS A 8 -9.440 -2.069 -7.545 1.00 0.00 S ATOM 0 H CYS A 8 -11.774 -1.451 -5.542 1.00 0.00 H new ATOM 0 HA CYS A 8 -13.120 -1.755 -8.098 1.00 0.00 H new ATOM 0 HB2 CYS A 8 -11.093 -2.783 -9.123 1.00 0.00 H new ATOM 0 HB3 CYS A 8 -11.047 -1.037 -8.988 1.00 0.00 H new ATOM 0 HG CYS A 8 -8.469 -2.030 -8.409 1.00 0.00 H new ATOM 133 N LYS A 9 -12.272 -4.416 -7.666 1.00 0.00 N ATOM 134 CA LYS A 9 -12.435 -5.756 -7.146 1.00 0.00 C ATOM 135 C LYS A 9 -11.081 -6.397 -6.899 1.00 0.00 C ATOM 136 O LYS A 9 -10.066 -5.943 -7.425 1.00 0.00 O ATOM 137 CB LYS A 9 -13.269 -6.595 -8.111 1.00 0.00 C ATOM 138 CG LYS A 9 -14.724 -6.159 -8.179 1.00 0.00 C ATOM 139 CD LYS A 9 -15.379 -6.637 -9.456 1.00 0.00 C ATOM 140 CE LYS A 9 -16.848 -6.255 -9.520 1.00 0.00 C ATOM 141 NZ LYS A 9 -17.708 -7.180 -8.732 1.00 0.00 N ATOM 0 H LYS A 9 -12.039 -4.364 -8.658 1.00 0.00 H new ATOM 0 HA LYS A 9 -12.962 -5.704 -6.193 1.00 0.00 H new ATOM 0 HB2 LYS A 9 -12.831 -6.534 -9.107 1.00 0.00 H new ATOM 0 HB3 LYS A 9 -13.223 -7.641 -7.806 1.00 0.00 H new ATOM 0 HG2 LYS A 9 -15.265 -6.554 -7.319 1.00 0.00 H new ATOM 0 HG3 LYS A 9 -14.784 -5.072 -8.121 1.00 0.00 H new ATOM 0 HD2 LYS A 9 -14.856 -6.212 -10.313 1.00 0.00 H new ATOM 0 HD3 LYS A 9 -15.283 -7.720 -9.529 1.00 0.00 H new ATOM 0 HE2 LYS A 9 -16.973 -5.239 -9.146 1.00 0.00 H new ATOM 0 HE3 LYS A 9 -17.176 -6.255 -10.559 1.00 0.00 H new ATOM 0 HZ1 LYS A 9 -18.701 -6.879 -8.806 1.00 0.00 H new ATOM 0 HZ2 LYS A 9 -17.611 -8.146 -9.104 1.00 0.00 H new ATOM 0 HZ3 LYS A 9 -17.414 -7.162 -7.734 1.00 0.00 H new ATOM 155 N ILE A 10 -11.070 -7.448 -6.093 1.00 0.00 N ATOM 156 CA ILE A 10 -9.840 -8.178 -5.798 1.00 0.00 C ATOM 157 C ILE A 10 -9.319 -8.864 -7.067 1.00 0.00 C ATOM 158 O ILE A 10 -8.181 -9.330 -7.130 1.00 0.00 O ATOM 159 CB ILE A 10 -10.071 -9.219 -4.675 1.00 0.00 C ATOM 160 CG1 ILE A 10 -8.740 -9.766 -4.157 1.00 0.00 C ATOM 161 CG2 ILE A 10 -10.966 -10.353 -5.159 1.00 0.00 C ATOM 162 CD1 ILE A 10 -7.861 -8.708 -3.522 1.00 0.00 C ATOM 0 H ILE A 10 -11.900 -7.817 -5.629 1.00 0.00 H new ATOM 0 HA ILE A 10 -9.092 -7.467 -5.449 1.00 0.00 H new ATOM 0 HB ILE A 10 -10.577 -8.716 -3.851 1.00 0.00 H new ATOM 0 HG12 ILE A 10 -8.938 -10.550 -3.426 1.00 0.00 H new ATOM 0 HG13 ILE A 10 -8.200 -10.229 -4.983 1.00 0.00 H new ATOM 0 HG21 ILE A 10 -11.113 -11.071 -4.352 1.00 0.00 H new ATOM 0 HG22 ILE A 10 -11.931 -9.949 -5.466 1.00 0.00 H new ATOM 0 HG23 ILE A 10 -10.495 -10.851 -6.006 1.00 0.00 H new ATOM 0 HD11 ILE A 10 -6.934 -9.165 -3.177 1.00 0.00 H new ATOM 0 HD12 ILE A 10 -7.633 -7.935 -4.256 1.00 0.00 H new ATOM 0 HD13 ILE A 10 -8.383 -8.262 -2.675 1.00 0.00 H new ATOM 174 N ASP A 11 -10.177 -8.893 -8.077 1.00 0.00 N ATOM 175 CA ASP A 11 -9.848 -9.443 -9.384 1.00 0.00 C ATOM 176 C ASP A 11 -8.798 -8.577 -10.082 1.00 0.00 C ATOM 177 O ASP A 11 -7.963 -9.077 -10.840 1.00 0.00 O ATOM 178 CB ASP A 11 -11.127 -9.514 -10.227 1.00 0.00 C ATOM 179 CG ASP A 11 -10.935 -10.214 -11.553 1.00 0.00 C ATOM 180 OD1 ASP A 11 -10.876 -11.462 -11.564 1.00 0.00 O ATOM 181 OD2 ASP A 11 -10.878 -9.524 -12.593 1.00 0.00 O ATOM 0 H ASP A 11 -11.129 -8.532 -8.012 1.00 0.00 H new ATOM 0 HA ASP A 11 -9.432 -10.443 -9.263 1.00 0.00 H new ATOM 0 HB2 ASP A 11 -11.899 -10.033 -9.659 1.00 0.00 H new ATOM 0 HB3 ASP A 11 -11.490 -8.502 -10.408 1.00 0.00 H new ATOM 186 N ASP A 12 -8.836 -7.278 -9.794 1.00 0.00 N ATOM 187 CA ASP A 12 -7.923 -6.310 -10.403 1.00 0.00 C ATOM 188 C ASP A 12 -6.493 -6.503 -9.909 1.00 0.00 C ATOM 189 O ASP A 12 -5.532 -6.358 -10.668 1.00 0.00 O ATOM 190 CB ASP A 12 -8.369 -4.876 -10.085 1.00 0.00 C ATOM 191 CG ASP A 12 -9.643 -4.466 -10.798 1.00 0.00 C ATOM 192 OD1 ASP A 12 -10.739 -4.885 -10.368 1.00 0.00 O ATOM 193 OD2 ASP A 12 -9.551 -3.705 -11.789 1.00 0.00 O ATOM 0 H ASP A 12 -9.497 -6.867 -9.135 1.00 0.00 H new ATOM 0 HA ASP A 12 -7.949 -6.476 -11.480 1.00 0.00 H new ATOM 0 HB2 ASP A 12 -8.517 -4.780 -9.009 1.00 0.00 H new ATOM 0 HB3 ASP A 12 -7.571 -4.186 -10.359 1.00 0.00 H new ATOM 198 N ILE A 13 -6.356 -6.835 -8.636 1.00 0.00 N ATOM 199 CA ILE A 13 -5.045 -6.905 -8.006 1.00 0.00 C ATOM 200 C ILE A 13 -4.556 -8.343 -7.909 1.00 0.00 C ATOM 201 O ILE A 13 -5.112 -9.154 -7.168 1.00 0.00 O ATOM 202 CB ILE A 13 -5.065 -6.285 -6.594 1.00 0.00 C ATOM 203 CG1 ILE A 13 -5.799 -4.940 -6.608 1.00 0.00 C ATOM 204 CG2 ILE A 13 -3.644 -6.107 -6.079 1.00 0.00 C ATOM 205 CD1 ILE A 13 -5.981 -4.331 -5.234 1.00 0.00 C ATOM 0 H ILE A 13 -7.135 -7.060 -8.018 1.00 0.00 H new ATOM 0 HA ILE A 13 -4.363 -6.335 -8.636 1.00 0.00 H new ATOM 0 HB ILE A 13 -5.598 -6.961 -5.925 1.00 0.00 H new ATOM 0 HG12 ILE A 13 -5.246 -4.241 -7.235 1.00 0.00 H new ATOM 0 HG13 ILE A 13 -6.778 -5.075 -7.068 1.00 0.00 H new ATOM 0 HG21 ILE A 13 -3.671 -5.669 -5.081 1.00 0.00 H new ATOM 0 HG22 ILE A 13 -3.148 -7.077 -6.036 1.00 0.00 H new ATOM 0 HG23 ILE A 13 -3.094 -5.448 -6.750 1.00 0.00 H new ATOM 0 HD11 ILE A 13 -6.508 -3.381 -5.324 1.00 0.00 H new ATOM 0 HD12 ILE A 13 -6.561 -5.010 -4.609 1.00 0.00 H new ATOM 0 HD13 ILE A 13 -5.005 -4.163 -4.778 1.00 0.00 H new ATOM 217 N LEU A 14 -3.509 -8.648 -8.659 1.00 0.00 N ATOM 218 CA LEU A 14 -2.905 -9.974 -8.647 1.00 0.00 C ATOM 219 C LEU A 14 -2.029 -10.149 -7.400 1.00 0.00 C ATOM 220 O LEU A 14 -1.785 -9.183 -6.674 1.00 0.00 O ATOM 221 CB LEU A 14 -2.066 -10.169 -9.918 1.00 0.00 C ATOM 222 CG LEU A 14 -2.825 -10.001 -11.237 1.00 0.00 C ATOM 223 CD1 LEU A 14 -1.899 -10.233 -12.422 1.00 0.00 C ATOM 224 CD2 LEU A 14 -4.013 -10.950 -11.297 1.00 0.00 C ATOM 0 H LEU A 14 -3.055 -7.988 -9.291 1.00 0.00 H new ATOM 0 HA LEU A 14 -3.694 -10.725 -8.621 1.00 0.00 H new ATOM 0 HB2 LEU A 14 -1.240 -9.458 -9.900 1.00 0.00 H new ATOM 0 HB3 LEU A 14 -1.628 -11.167 -9.895 1.00 0.00 H new ATOM 0 HG LEU A 14 -3.199 -8.978 -11.287 1.00 0.00 H new ATOM 0 HD11 LEU A 14 -2.457 -10.109 -13.350 1.00 0.00 H new ATOM 0 HD12 LEU A 14 -1.082 -9.513 -12.391 1.00 0.00 H new ATOM 0 HD13 LEU A 14 -1.494 -11.244 -12.375 1.00 0.00 H new ATOM 0 HD21 LEU A 14 -4.539 -10.815 -12.242 1.00 0.00 H new ATOM 0 HD22 LEU A 14 -3.661 -11.979 -11.221 1.00 0.00 H new ATOM 0 HD23 LEU A 14 -4.691 -10.737 -10.471 1.00 0.00 H new ATOM 236 N PRO A 15 -1.577 -11.384 -7.110 1.00 0.00 N ATOM 237 CA PRO A 15 -0.641 -11.651 -6.005 1.00 0.00 C ATOM 238 C PRO A 15 0.584 -10.746 -6.028 1.00 0.00 C ATOM 239 O PRO A 15 1.204 -10.558 -7.076 1.00 0.00 O ATOM 240 CB PRO A 15 -0.224 -13.096 -6.256 1.00 0.00 C ATOM 241 CG PRO A 15 -1.412 -13.702 -6.899 1.00 0.00 C ATOM 242 CD PRO A 15 -1.964 -12.634 -7.802 1.00 0.00 C ATOM 0 HA PRO A 15 -1.102 -11.471 -5.034 1.00 0.00 H new ATOM 0 HB2 PRO A 15 0.652 -13.153 -6.902 1.00 0.00 H new ATOM 0 HB3 PRO A 15 0.031 -13.606 -5.327 1.00 0.00 H new ATOM 0 HG2 PRO A 15 -1.141 -14.594 -7.465 1.00 0.00 H new ATOM 0 HG3 PRO A 15 -2.148 -14.008 -6.156 1.00 0.00 H new ATOM 0 HD2 PRO A 15 -1.537 -12.691 -8.803 1.00 0.00 H new ATOM 0 HD3 PRO A 15 -3.045 -12.717 -7.912 1.00 0.00 H new ATOM 250 N GLU A 16 0.917 -10.201 -4.859 1.00 0.00 N ATOM 251 CA GLU A 16 2.074 -9.325 -4.689 1.00 0.00 C ATOM 252 C GLU A 16 2.053 -8.184 -5.706 1.00 0.00 C ATOM 253 O GLU A 16 3.000 -7.999 -6.472 1.00 0.00 O ATOM 254 CB GLU A 16 3.387 -10.116 -4.788 1.00 0.00 C ATOM 255 CG GLU A 16 3.551 -11.194 -3.719 1.00 0.00 C ATOM 256 CD GLU A 16 2.924 -12.523 -4.104 1.00 0.00 C ATOM 257 OE1 GLU A 16 3.605 -13.326 -4.777 1.00 0.00 O ATOM 258 OE2 GLU A 16 1.758 -12.780 -3.727 1.00 0.00 O ATOM 0 H GLU A 16 0.389 -10.356 -4.000 1.00 0.00 H new ATOM 0 HA GLU A 16 2.016 -8.891 -3.691 1.00 0.00 H new ATOM 0 HB2 GLU A 16 3.443 -10.584 -5.771 1.00 0.00 H new ATOM 0 HB3 GLU A 16 4.223 -9.420 -4.718 1.00 0.00 H new ATOM 0 HG2 GLU A 16 4.613 -11.344 -3.524 1.00 0.00 H new ATOM 0 HG3 GLU A 16 3.103 -10.845 -2.789 1.00 0.00 H new ATOM 265 N THR A 17 0.967 -7.422 -5.698 1.00 0.00 N ATOM 266 CA THR A 17 0.789 -6.334 -6.653 1.00 0.00 C ATOM 267 C THR A 17 0.248 -5.086 -5.958 1.00 0.00 C ATOM 268 O THR A 17 -0.507 -5.185 -4.988 1.00 0.00 O ATOM 269 CB THR A 17 -0.182 -6.740 -7.787 1.00 0.00 C ATOM 270 OG1 THR A 17 0.179 -8.021 -8.312 1.00 0.00 O ATOM 271 CG2 THR A 17 -0.176 -5.716 -8.915 1.00 0.00 C ATOM 0 H THR A 17 0.195 -7.537 -5.041 1.00 0.00 H new ATOM 0 HA THR A 17 1.767 -6.116 -7.082 1.00 0.00 H new ATOM 0 HB THR A 17 -1.185 -6.784 -7.362 1.00 0.00 H new ATOM 0 HG1 THR A 17 0.230 -7.971 -9.289 1.00 0.00 H new ATOM 0 HG21 THR A 17 -0.868 -6.031 -9.696 1.00 0.00 H new ATOM 0 HG22 THR A 17 -0.484 -4.745 -8.527 1.00 0.00 H new ATOM 0 HG23 THR A 17 0.829 -5.639 -9.331 1.00 0.00 H new ATOM 279 N GLY A 18 0.646 -3.919 -6.448 1.00 0.00 N ATOM 280 CA GLY A 18 0.142 -2.675 -5.909 1.00 0.00 C ATOM 281 C GLY A 18 -0.498 -1.813 -6.978 1.00 0.00 C ATOM 282 O GLY A 18 0.029 -1.695 -8.086 1.00 0.00 O ATOM 0 H GLY A 18 1.312 -3.814 -7.213 1.00 0.00 H new ATOM 0 HA2 GLY A 18 -0.589 -2.887 -5.129 1.00 0.00 H new ATOM 0 HA3 GLY A 18 0.958 -2.125 -5.440 1.00 0.00 H new ATOM 286 N VAL A 19 -1.635 -1.216 -6.657 1.00 0.00 N ATOM 287 CA VAL A 19 -2.346 -0.366 -7.606 1.00 0.00 C ATOM 288 C VAL A 19 -2.463 1.064 -7.084 1.00 0.00 C ATOM 289 O VAL A 19 -2.194 1.329 -5.910 1.00 0.00 O ATOM 290 CB VAL A 19 -3.758 -0.911 -7.922 1.00 0.00 C ATOM 291 CG1 VAL A 19 -3.668 -2.272 -8.597 1.00 0.00 C ATOM 292 CG2 VAL A 19 -4.605 -0.992 -6.657 1.00 0.00 C ATOM 0 H VAL A 19 -2.087 -1.303 -5.747 1.00 0.00 H new ATOM 0 HA VAL A 19 -1.760 -0.368 -8.525 1.00 0.00 H new ATOM 0 HB VAL A 19 -4.243 -0.218 -8.610 1.00 0.00 H new ATOM 0 HG11 VAL A 19 -4.672 -2.639 -8.811 1.00 0.00 H new ATOM 0 HG12 VAL A 19 -3.109 -2.180 -9.528 1.00 0.00 H new ATOM 0 HG13 VAL A 19 -3.159 -2.973 -7.936 1.00 0.00 H new ATOM 0 HG21 VAL A 19 -5.594 -1.378 -6.905 1.00 0.00 H new ATOM 0 HG22 VAL A 19 -4.125 -1.658 -5.940 1.00 0.00 H new ATOM 0 HG23 VAL A 19 -4.703 0.002 -6.220 1.00 0.00 H new ATOM 302 N CYS A 20 -2.848 1.980 -7.961 1.00 0.00 N ATOM 303 CA CYS A 20 -3.034 3.373 -7.582 1.00 0.00 C ATOM 304 C CYS A 20 -4.518 3.734 -7.591 1.00 0.00 C ATOM 305 O CYS A 20 -5.153 3.767 -8.645 1.00 0.00 O ATOM 306 CB CYS A 20 -2.259 4.290 -8.534 1.00 0.00 C ATOM 307 SG CYS A 20 -2.294 6.041 -8.075 1.00 0.00 S ATOM 0 H CYS A 20 -3.038 1.782 -8.943 1.00 0.00 H new ATOM 0 HA CYS A 20 -2.649 3.512 -6.572 1.00 0.00 H new ATOM 0 HB2 CYS A 20 -1.222 3.958 -8.575 1.00 0.00 H new ATOM 0 HB3 CYS A 20 -2.669 4.181 -9.538 1.00 0.00 H new ATOM 0 HG CYS A 20 -1.610 6.730 -8.939 1.00 0.00 H new ATOM 313 N ALA A 21 -5.064 3.992 -6.412 1.00 0.00 N ATOM 314 CA ALA A 21 -6.467 4.357 -6.281 1.00 0.00 C ATOM 315 C ALA A 21 -6.601 5.767 -5.727 1.00 0.00 C ATOM 316 O ALA A 21 -5.599 6.407 -5.403 1.00 0.00 O ATOM 317 CB ALA A 21 -7.181 3.367 -5.380 1.00 0.00 C ATOM 0 H ALA A 21 -4.555 3.955 -5.529 1.00 0.00 H new ATOM 0 HA ALA A 21 -6.928 4.330 -7.268 1.00 0.00 H new ATOM 0 HB1 ALA A 21 -8.230 3.649 -5.289 1.00 0.00 H new ATOM 0 HB2 ALA A 21 -7.110 2.368 -5.809 1.00 0.00 H new ATOM 0 HB3 ALA A 21 -6.717 3.372 -4.394 1.00 0.00 H new ATOM 323 N LEU A 22 -7.828 6.248 -5.606 1.00 0.00 N ATOM 324 CA LEU A 22 -8.067 7.582 -5.077 1.00 0.00 C ATOM 325 C LEU A 22 -8.999 7.537 -3.874 1.00 0.00 C ATOM 326 O LEU A 22 -10.038 6.873 -3.901 1.00 0.00 O ATOM 327 CB LEU A 22 -8.659 8.498 -6.152 1.00 0.00 C ATOM 328 CG LEU A 22 -7.727 8.829 -7.319 1.00 0.00 C ATOM 329 CD1 LEU A 22 -8.441 9.707 -8.333 1.00 0.00 C ATOM 330 CD2 LEU A 22 -6.467 9.518 -6.817 1.00 0.00 C ATOM 0 H LEU A 22 -8.672 5.737 -5.866 1.00 0.00 H new ATOM 0 HA LEU A 22 -7.105 7.984 -4.759 1.00 0.00 H new ATOM 0 HB2 LEU A 22 -9.559 8.029 -6.550 1.00 0.00 H new ATOM 0 HB3 LEU A 22 -8.968 9.431 -5.680 1.00 0.00 H new ATOM 0 HG LEU A 22 -7.440 7.897 -7.806 1.00 0.00 H new ATOM 0 HD11 LEU A 22 -7.765 9.934 -9.157 1.00 0.00 H new ATOM 0 HD12 LEU A 22 -9.317 9.183 -8.716 1.00 0.00 H new ATOM 0 HD13 LEU A 22 -8.754 10.635 -7.854 1.00 0.00 H new ATOM 0 HD21 LEU A 22 -5.816 9.746 -7.661 1.00 0.00 H new ATOM 0 HD22 LEU A 22 -6.737 10.443 -6.307 1.00 0.00 H new ATOM 0 HD23 LEU A 22 -5.944 8.860 -6.123 1.00 0.00 H new ATOM 342 N LEU A 23 -8.609 8.235 -2.822 1.00 0.00 N ATOM 343 CA LEU A 23 -9.435 8.381 -1.636 1.00 0.00 C ATOM 344 C LEU A 23 -9.675 9.867 -1.410 1.00 0.00 C ATOM 345 O LEU A 23 -8.835 10.567 -0.843 1.00 0.00 O ATOM 346 CB LEU A 23 -8.747 7.726 -0.426 1.00 0.00 C ATOM 347 CG LEU A 23 -9.588 7.596 0.852 1.00 0.00 C ATOM 348 CD1 LEU A 23 -9.122 6.398 1.659 1.00 0.00 C ATOM 349 CD2 LEU A 23 -9.488 8.853 1.706 1.00 0.00 C ATOM 0 H LEU A 23 -7.711 8.716 -2.766 1.00 0.00 H new ATOM 0 HA LEU A 23 -10.393 7.879 -1.768 1.00 0.00 H new ATOM 0 HB2 LEU A 23 -8.416 6.730 -0.720 1.00 0.00 H new ATOM 0 HB3 LEU A 23 -7.853 8.302 -0.189 1.00 0.00 H new ATOM 0 HG LEU A 23 -10.629 7.460 0.558 1.00 0.00 H new ATOM 0 HD11 LEU A 23 -9.724 6.313 2.564 1.00 0.00 H new ATOM 0 HD12 LEU A 23 -9.233 5.492 1.063 1.00 0.00 H new ATOM 0 HD13 LEU A 23 -8.074 6.528 1.931 1.00 0.00 H new ATOM 0 HD21 LEU A 23 -10.094 8.732 2.604 1.00 0.00 H new ATOM 0 HD22 LEU A 23 -8.449 9.019 1.989 1.00 0.00 H new ATOM 0 HD23 LEU A 23 -9.850 9.709 1.137 1.00 0.00 H new ATOM 361 N GLY A 24 -10.805 10.350 -1.900 1.00 0.00 N ATOM 362 CA GLY A 24 -11.052 11.773 -1.903 1.00 0.00 C ATOM 363 C GLY A 24 -10.137 12.479 -2.881 1.00 0.00 C ATOM 364 O GLY A 24 -10.148 12.181 -4.076 1.00 0.00 O ATOM 0 H GLY A 24 -11.554 9.782 -2.295 1.00 0.00 H new ATOM 0 HA2 GLY A 24 -12.092 11.965 -2.168 1.00 0.00 H new ATOM 0 HA3 GLY A 24 -10.899 12.175 -0.901 1.00 0.00 H new ATOM 368 N ASP A 25 -9.337 13.407 -2.380 1.00 0.00 N ATOM 369 CA ASP A 25 -8.373 14.113 -3.212 1.00 0.00 C ATOM 370 C ASP A 25 -7.009 13.429 -3.165 1.00 0.00 C ATOM 371 O ASP A 25 -6.191 13.578 -4.077 1.00 0.00 O ATOM 372 CB ASP A 25 -8.239 15.569 -2.757 1.00 0.00 C ATOM 373 CG ASP A 25 -7.313 16.372 -3.648 1.00 0.00 C ATOM 374 OD1 ASP A 25 -7.782 16.890 -4.686 1.00 0.00 O ATOM 375 OD2 ASP A 25 -6.116 16.500 -3.317 1.00 0.00 O ATOM 0 H ASP A 25 -9.336 13.690 -1.400 1.00 0.00 H new ATOM 0 HA ASP A 25 -8.737 14.093 -4.239 1.00 0.00 H new ATOM 0 HB2 ASP A 25 -9.224 16.036 -2.748 1.00 0.00 H new ATOM 0 HB3 ASP A 25 -7.865 15.594 -1.733 1.00 0.00 H new ATOM 380 N GLU A 26 -6.770 12.665 -2.108 1.00 0.00 N ATOM 381 CA GLU A 26 -5.478 12.023 -1.916 1.00 0.00 C ATOM 382 C GLU A 26 -5.416 10.676 -2.629 1.00 0.00 C ATOM 383 O GLU A 26 -6.383 9.911 -2.633 1.00 0.00 O ATOM 384 CB GLU A 26 -5.173 11.846 -0.426 1.00 0.00 C ATOM 385 CG GLU A 26 -4.973 13.160 0.311 1.00 0.00 C ATOM 386 CD GLU A 26 -4.504 12.971 1.741 1.00 0.00 C ATOM 387 OE1 GLU A 26 -3.318 12.633 1.945 1.00 0.00 O ATOM 388 OE2 GLU A 26 -5.312 13.170 2.672 1.00 0.00 O ATOM 0 H GLU A 26 -7.451 12.475 -1.373 1.00 0.00 H new ATOM 0 HA GLU A 26 -4.721 12.674 -2.353 1.00 0.00 H new ATOM 0 HB2 GLU A 26 -5.990 11.297 0.042 1.00 0.00 H new ATOM 0 HB3 GLU A 26 -4.276 11.237 -0.317 1.00 0.00 H new ATOM 0 HG2 GLU A 26 -4.244 13.765 -0.228 1.00 0.00 H new ATOM 0 HG3 GLU A 26 -5.910 13.716 0.312 1.00 0.00 H new ATOM 395 N GLN A 27 -4.275 10.400 -3.241 1.00 0.00 N ATOM 396 CA GLN A 27 -4.059 9.128 -3.911 1.00 0.00 C ATOM 397 C GLN A 27 -3.574 8.086 -2.908 1.00 0.00 C ATOM 398 O GLN A 27 -2.828 8.400 -1.975 1.00 0.00 O ATOM 399 CB GLN A 27 -3.069 9.296 -5.074 1.00 0.00 C ATOM 400 CG GLN A 27 -1.681 9.764 -4.660 1.00 0.00 C ATOM 401 CD GLN A 27 -0.870 10.270 -5.834 1.00 0.00 C ATOM 402 OE1 GLN A 27 -0.890 11.461 -6.145 1.00 0.00 O ATOM 403 NE2 GLN A 27 -0.164 9.372 -6.502 1.00 0.00 N ATOM 0 H GLN A 27 -3.483 11.041 -3.287 1.00 0.00 H new ATOM 0 HA GLN A 27 -5.003 8.779 -4.330 1.00 0.00 H new ATOM 0 HB2 GLN A 27 -2.977 8.344 -5.596 1.00 0.00 H new ATOM 0 HB3 GLN A 27 -3.482 10.011 -5.786 1.00 0.00 H new ATOM 0 HG2 GLN A 27 -1.774 10.556 -3.917 1.00 0.00 H new ATOM 0 HG3 GLN A 27 -1.150 8.940 -4.183 1.00 0.00 H new ATOM 0 HE21 GLN A 27 -0.175 8.395 -6.210 1.00 0.00 H new ATOM 0 HE22 GLN A 27 0.392 9.657 -7.308 1.00 0.00 H new ATOM 412 N VAL A 28 -4.018 6.852 -3.094 1.00 0.00 N ATOM 413 CA VAL A 28 -3.704 5.769 -2.174 1.00 0.00 C ATOM 414 C VAL A 28 -3.213 4.536 -2.931 1.00 0.00 C ATOM 415 O VAL A 28 -3.855 4.079 -3.878 1.00 0.00 O ATOM 416 CB VAL A 28 -4.937 5.384 -1.324 1.00 0.00 C ATOM 417 CG1 VAL A 28 -4.609 4.241 -0.379 1.00 0.00 C ATOM 418 CG2 VAL A 28 -5.452 6.584 -0.544 1.00 0.00 C ATOM 0 H VAL A 28 -4.603 6.574 -3.882 1.00 0.00 H new ATOM 0 HA VAL A 28 -2.913 6.125 -1.514 1.00 0.00 H new ATOM 0 HB VAL A 28 -5.721 5.052 -2.004 1.00 0.00 H new ATOM 0 HG11 VAL A 28 -5.492 3.989 0.208 1.00 0.00 H new ATOM 0 HG12 VAL A 28 -4.296 3.371 -0.956 1.00 0.00 H new ATOM 0 HG13 VAL A 28 -3.803 4.542 0.290 1.00 0.00 H new ATOM 0 HG21 VAL A 28 -6.319 6.289 0.046 1.00 0.00 H new ATOM 0 HG22 VAL A 28 -4.669 6.950 0.120 1.00 0.00 H new ATOM 0 HG23 VAL A 28 -5.737 7.374 -1.239 1.00 0.00 H new ATOM 428 N ALA A 29 -2.060 4.023 -2.527 1.00 0.00 N ATOM 429 CA ALA A 29 -1.517 2.804 -3.101 1.00 0.00 C ATOM 430 C ALA A 29 -2.036 1.581 -2.359 1.00 0.00 C ATOM 431 O ALA A 29 -1.754 1.397 -1.175 1.00 0.00 O ATOM 432 CB ALA A 29 0.002 2.831 -3.062 1.00 0.00 C ATOM 0 H ALA A 29 -1.480 4.437 -1.798 1.00 0.00 H new ATOM 0 HA ALA A 29 -1.842 2.743 -4.140 1.00 0.00 H new ATOM 0 HB1 ALA A 29 0.394 1.911 -3.496 1.00 0.00 H new ATOM 0 HB2 ALA A 29 0.366 3.685 -3.634 1.00 0.00 H new ATOM 0 HB3 ALA A 29 0.338 2.917 -2.029 1.00 0.00 H new ATOM 438 N ILE A 30 -2.800 0.756 -3.053 1.00 0.00 N ATOM 439 CA ILE A 30 -3.327 -0.463 -2.467 1.00 0.00 C ATOM 440 C ILE A 30 -2.452 -1.642 -2.860 1.00 0.00 C ATOM 441 O ILE A 30 -2.335 -1.969 -4.041 1.00 0.00 O ATOM 442 CB ILE A 30 -4.776 -0.741 -2.918 1.00 0.00 C ATOM 443 CG1 ILE A 30 -5.659 0.479 -2.658 1.00 0.00 C ATOM 444 CG2 ILE A 30 -5.329 -1.962 -2.194 1.00 0.00 C ATOM 445 CD1 ILE A 30 -7.074 0.321 -3.168 1.00 0.00 C ATOM 0 H ILE A 30 -3.069 0.909 -4.025 1.00 0.00 H new ATOM 0 HA ILE A 30 -3.326 -0.331 -1.385 1.00 0.00 H new ATOM 0 HB ILE A 30 -4.774 -0.943 -3.989 1.00 0.00 H new ATOM 0 HG12 ILE A 30 -5.688 0.675 -1.586 1.00 0.00 H new ATOM 0 HG13 ILE A 30 -5.207 1.352 -3.129 1.00 0.00 H new ATOM 0 HG21 ILE A 30 -6.352 -2.147 -2.522 1.00 0.00 H new ATOM 0 HG22 ILE A 30 -4.712 -2.831 -2.423 1.00 0.00 H new ATOM 0 HG23 ILE A 30 -5.319 -1.783 -1.119 1.00 0.00 H new ATOM 0 HD11 ILE A 30 -7.643 1.225 -2.949 1.00 0.00 H new ATOM 0 HD12 ILE A 30 -7.056 0.156 -4.245 1.00 0.00 H new ATOM 0 HD13 ILE A 30 -7.544 -0.531 -2.678 1.00 0.00 H new ATOM 457 N PHE A 31 -1.831 -2.262 -1.876 1.00 0.00 N ATOM 458 CA PHE A 31 -0.950 -3.387 -2.121 1.00 0.00 C ATOM 459 C PHE A 31 -1.584 -4.679 -1.641 1.00 0.00 C ATOM 460 O PHE A 31 -2.096 -4.755 -0.521 1.00 0.00 O ATOM 461 CB PHE A 31 0.390 -3.190 -1.410 1.00 0.00 C ATOM 462 CG PHE A 31 1.219 -2.068 -1.959 1.00 0.00 C ATOM 463 CD1 PHE A 31 2.074 -2.282 -3.026 1.00 0.00 C ATOM 464 CD2 PHE A 31 1.148 -0.801 -1.406 1.00 0.00 C ATOM 465 CE1 PHE A 31 2.842 -1.252 -3.532 1.00 0.00 C ATOM 466 CE2 PHE A 31 1.913 0.232 -1.908 1.00 0.00 C ATOM 467 CZ PHE A 31 2.761 0.007 -2.971 1.00 0.00 C ATOM 0 H PHE A 31 -1.921 -2.004 -0.893 1.00 0.00 H new ATOM 0 HA PHE A 31 -0.781 -3.447 -3.196 1.00 0.00 H new ATOM 0 HB2 PHE A 31 0.203 -3.005 -0.352 1.00 0.00 H new ATOM 0 HB3 PHE A 31 0.962 -4.115 -1.475 1.00 0.00 H new ATOM 0 HD1 PHE A 31 2.141 -3.265 -3.468 1.00 0.00 H new ATOM 0 HD2 PHE A 31 0.486 -0.619 -0.572 1.00 0.00 H new ATOM 0 HE1 PHE A 31 3.505 -1.431 -4.365 1.00 0.00 H new ATOM 0 HE2 PHE A 31 1.847 1.216 -1.468 1.00 0.00 H new ATOM 0 HZ PHE A 31 3.361 0.814 -3.364 1.00 0.00 H new ATOM 477 N ARG A 32 -1.558 -5.686 -2.493 1.00 0.00 N ATOM 478 CA ARG A 32 -1.966 -7.021 -2.104 1.00 0.00 C ATOM 479 C ARG A 32 -0.718 -7.865 -1.894 1.00 0.00 C ATOM 480 O ARG A 32 -0.109 -8.324 -2.862 1.00 0.00 O ATOM 481 CB ARG A 32 -2.854 -7.646 -3.182 1.00 0.00 C ATOM 482 CG ARG A 32 -3.438 -8.997 -2.802 1.00 0.00 C ATOM 483 CD ARG A 32 -4.255 -9.592 -3.939 1.00 0.00 C ATOM 484 NE ARG A 32 -4.933 -10.827 -3.538 1.00 0.00 N ATOM 485 CZ ARG A 32 -5.633 -11.607 -4.371 1.00 0.00 C ATOM 486 NH1 ARG A 32 -5.749 -11.290 -5.654 1.00 0.00 N ATOM 487 NH2 ARG A 32 -6.237 -12.696 -3.911 1.00 0.00 N ATOM 0 H ARG A 32 -1.257 -5.603 -3.464 1.00 0.00 H new ATOM 0 HA ARG A 32 -2.543 -6.974 -1.180 1.00 0.00 H new ATOM 0 HB2 ARG A 32 -3.671 -6.960 -3.407 1.00 0.00 H new ATOM 0 HB3 ARG A 32 -2.271 -7.759 -4.096 1.00 0.00 H new ATOM 0 HG2 ARG A 32 -2.632 -9.681 -2.535 1.00 0.00 H new ATOM 0 HG3 ARG A 32 -4.068 -8.887 -1.919 1.00 0.00 H new ATOM 0 HD2 ARG A 32 -4.994 -8.864 -4.274 1.00 0.00 H new ATOM 0 HD3 ARG A 32 -3.602 -9.796 -4.787 1.00 0.00 H new ATOM 0 HE ARG A 32 -4.868 -11.111 -2.561 1.00 0.00 H new ATOM 0 HH11 ARG A 32 -5.303 -10.446 -6.013 1.00 0.00 H new ATOM 0 HH12 ARG A 32 -6.284 -11.890 -6.281 1.00 0.00 H new ATOM 0 HH21 ARG A 32 -6.168 -12.939 -2.923 1.00 0.00 H new ATOM 0 HH22 ARG A 32 -6.770 -13.290 -4.546 1.00 0.00 H new ATOM 501 N PRO A 33 -0.305 -8.047 -0.631 1.00 0.00 N ATOM 502 CA PRO A 33 0.897 -8.800 -0.294 1.00 0.00 C ATOM 503 C PRO A 33 0.637 -10.298 -0.191 1.00 0.00 C ATOM 504 O PRO A 33 1.549 -11.108 -0.332 1.00 0.00 O ATOM 505 CB PRO A 33 1.287 -8.220 1.061 1.00 0.00 C ATOM 506 CG PRO A 33 -0.003 -7.815 1.694 1.00 0.00 C ATOM 507 CD PRO A 33 -0.965 -7.502 0.572 1.00 0.00 C ATOM 0 HA PRO A 33 1.672 -8.710 -1.055 1.00 0.00 H new ATOM 0 HB2 PRO A 33 1.811 -8.957 1.670 1.00 0.00 H new ATOM 0 HB3 PRO A 33 1.956 -7.367 0.947 1.00 0.00 H new ATOM 0 HG2 PRO A 33 -0.392 -8.615 2.324 1.00 0.00 H new ATOM 0 HG3 PRO A 33 0.138 -6.945 2.335 1.00 0.00 H new ATOM 0 HD2 PRO A 33 -1.937 -7.967 0.739 1.00 0.00 H new ATOM 0 HD3 PRO A 33 -1.136 -6.429 0.481 1.00 0.00 H new ATOM 515 N TYR A 34 -0.614 -10.656 0.059 1.00 0.00 N ATOM 516 CA TYR A 34 -1.009 -12.051 0.140 1.00 0.00 C ATOM 517 C TYR A 34 -2.021 -12.352 -0.950 1.00 0.00 C ATOM 518 O TYR A 34 -3.006 -11.626 -1.107 1.00 0.00 O ATOM 519 CB TYR A 34 -1.630 -12.369 1.506 1.00 0.00 C ATOM 520 CG TYR A 34 -0.734 -12.075 2.691 1.00 0.00 C ATOM 521 CD1 TYR A 34 0.220 -12.992 3.114 1.00 0.00 C ATOM 522 CD2 TYR A 34 -0.856 -10.883 3.395 1.00 0.00 C ATOM 523 CE1 TYR A 34 1.027 -12.729 4.204 1.00 0.00 C ATOM 524 CE2 TYR A 34 -0.053 -10.612 4.485 1.00 0.00 C ATOM 525 CZ TYR A 34 0.885 -11.538 4.887 1.00 0.00 C ATOM 526 OH TYR A 34 1.687 -11.270 5.975 1.00 0.00 O ATOM 0 H TYR A 34 -1.375 -9.994 0.210 1.00 0.00 H new ATOM 0 HA TYR A 34 -0.120 -12.668 0.010 1.00 0.00 H new ATOM 0 HB2 TYR A 34 -2.551 -11.797 1.613 1.00 0.00 H new ATOM 0 HB3 TYR A 34 -1.905 -13.423 1.528 1.00 0.00 H new ATOM 0 HD1 TYR A 34 0.333 -13.925 2.582 1.00 0.00 H new ATOM 0 HD2 TYR A 34 -1.592 -10.156 3.084 1.00 0.00 H new ATOM 0 HE1 TYR A 34 1.765 -13.451 4.520 1.00 0.00 H new ATOM 0 HE2 TYR A 34 -0.159 -9.680 5.020 1.00 0.00 H new ATOM 0 HH TYR A 34 1.459 -10.390 6.340 1.00 0.00 H new ATOM 536 N HIS A 35 -1.795 -13.418 -1.702 1.00 0.00 N ATOM 537 CA HIS A 35 -2.732 -13.802 -2.752 1.00 0.00 C ATOM 538 C HIS A 35 -3.915 -14.569 -2.176 1.00 0.00 C ATOM 539 O HIS A 35 -4.198 -15.694 -2.574 1.00 0.00 O ATOM 540 CB HIS A 35 -2.064 -14.595 -3.880 1.00 0.00 C ATOM 541 CG HIS A 35 -0.953 -15.514 -3.482 1.00 0.00 C ATOM 542 ND1 HIS A 35 0.375 -15.158 -3.588 1.00 0.00 N ATOM 543 CD2 HIS A 35 -0.963 -16.798 -3.053 1.00 0.00 C ATOM 544 CE1 HIS A 35 1.129 -16.180 -3.249 1.00 0.00 C ATOM 545 NE2 HIS A 35 0.346 -17.188 -2.917 1.00 0.00 N ATOM 0 H HIS A 35 -0.982 -14.027 -1.609 1.00 0.00 H new ATOM 0 HA HIS A 35 -3.100 -12.876 -3.194 1.00 0.00 H new ATOM 0 HB2 HIS A 35 -2.831 -15.184 -4.383 1.00 0.00 H new ATOM 0 HB3 HIS A 35 -1.675 -13.886 -4.611 1.00 0.00 H new ATOM 0 HD1 HIS A 35 0.719 -14.244 -3.883 1.00 0.00 H new ATOM 0 HD2 HIS A 35 -1.836 -17.402 -2.855 1.00 0.00 H new ATOM 0 HE1 HIS A 35 2.209 -16.192 -3.243 1.00 0.00 H new ATOM 554 N SER A 36 -4.593 -13.941 -1.227 1.00 0.00 N ATOM 555 CA SER A 36 -5.792 -14.502 -0.631 1.00 0.00 C ATOM 556 C SER A 36 -6.876 -13.431 -0.521 1.00 0.00 C ATOM 557 O SER A 36 -7.703 -13.279 -1.421 1.00 0.00 O ATOM 558 CB SER A 36 -5.465 -15.102 0.742 1.00 0.00 C ATOM 559 OG SER A 36 -4.718 -14.189 1.538 1.00 0.00 O ATOM 0 H SER A 36 -4.327 -13.031 -0.851 1.00 0.00 H new ATOM 0 HA SER A 36 -6.170 -15.300 -1.269 1.00 0.00 H new ATOM 0 HB2 SER A 36 -6.389 -15.365 1.256 1.00 0.00 H new ATOM 0 HB3 SER A 36 -4.898 -16.024 0.613 1.00 0.00 H new ATOM 0 HG SER A 36 -4.525 -14.596 2.408 1.00 0.00 H new ATOM 565 N ASP A 37 -6.833 -12.665 0.559 1.00 0.00 N ATOM 566 CA ASP A 37 -7.800 -11.591 0.795 1.00 0.00 C ATOM 567 C ASP A 37 -7.112 -10.368 1.383 1.00 0.00 C ATOM 568 O ASP A 37 -7.479 -9.233 1.086 1.00 0.00 O ATOM 569 CB ASP A 37 -8.897 -12.040 1.770 1.00 0.00 C ATOM 570 CG ASP A 37 -9.764 -13.159 1.236 1.00 0.00 C ATOM 571 OD1 ASP A 37 -10.797 -12.866 0.593 1.00 0.00 O ATOM 572 OD2 ASP A 37 -9.435 -14.340 1.482 1.00 0.00 O ATOM 0 H ASP A 37 -6.134 -12.765 1.295 1.00 0.00 H new ATOM 0 HA ASP A 37 -8.245 -11.342 -0.168 1.00 0.00 H new ATOM 0 HB2 ASP A 37 -8.433 -12.365 2.701 1.00 0.00 H new ATOM 0 HB3 ASP A 37 -9.529 -11.185 2.010 1.00 0.00 H new ATOM 577 N GLN A 38 -6.107 -10.617 2.213 1.00 0.00 N ATOM 578 CA GLN A 38 -5.460 -9.566 2.989 1.00 0.00 C ATOM 579 C GLN A 38 -4.742 -8.555 2.100 1.00 0.00 C ATOM 580 O GLN A 38 -3.774 -8.886 1.411 1.00 0.00 O ATOM 581 CB GLN A 38 -4.481 -10.191 3.985 1.00 0.00 C ATOM 582 CG GLN A 38 -5.162 -11.098 4.998 1.00 0.00 C ATOM 583 CD GLN A 38 -4.184 -11.848 5.881 1.00 0.00 C ATOM 584 OE1 GLN A 38 -3.070 -12.166 5.470 1.00 0.00 O ATOM 585 NE2 GLN A 38 -4.595 -12.132 7.106 1.00 0.00 N ATOM 0 H GLN A 38 -5.719 -11.548 2.367 1.00 0.00 H new ATOM 0 HA GLN A 38 -6.236 -9.023 3.529 1.00 0.00 H new ATOM 0 HB2 GLN A 38 -3.732 -10.764 3.439 1.00 0.00 H new ATOM 0 HB3 GLN A 38 -3.953 -9.397 4.513 1.00 0.00 H new ATOM 0 HG2 GLN A 38 -5.823 -10.500 5.625 1.00 0.00 H new ATOM 0 HG3 GLN A 38 -5.789 -11.816 4.469 1.00 0.00 H new ATOM 0 HE21 GLN A 38 -5.527 -11.851 7.409 1.00 0.00 H new ATOM 0 HE22 GLN A 38 -3.980 -12.632 7.747 1.00 0.00 H new ATOM 594 N VAL A 39 -5.239 -7.324 2.123 1.00 0.00 N ATOM 595 CA VAL A 39 -4.640 -6.222 1.385 1.00 0.00 C ATOM 596 C VAL A 39 -4.378 -5.046 2.323 1.00 0.00 C ATOM 597 O VAL A 39 -5.018 -4.927 3.371 1.00 0.00 O ATOM 598 CB VAL A 39 -5.539 -5.750 0.216 1.00 0.00 C ATOM 599 CG1 VAL A 39 -5.681 -6.841 -0.835 1.00 0.00 C ATOM 600 CG2 VAL A 39 -6.910 -5.321 0.721 1.00 0.00 C ATOM 0 H VAL A 39 -6.069 -7.063 2.655 1.00 0.00 H new ATOM 0 HA VAL A 39 -3.702 -6.585 0.966 1.00 0.00 H new ATOM 0 HB VAL A 39 -5.058 -4.888 -0.245 1.00 0.00 H new ATOM 0 HG11 VAL A 39 -6.317 -6.485 -1.645 1.00 0.00 H new ATOM 0 HG12 VAL A 39 -4.698 -7.095 -1.230 1.00 0.00 H new ATOM 0 HG13 VAL A 39 -6.130 -7.725 -0.383 1.00 0.00 H new ATOM 0 HG21 VAL A 39 -7.522 -4.994 -0.120 1.00 0.00 H new ATOM 0 HG22 VAL A 39 -7.395 -6.162 1.217 1.00 0.00 H new ATOM 0 HG23 VAL A 39 -6.797 -4.499 1.428 1.00 0.00 H new ATOM 610 N PHE A 40 -3.433 -4.192 1.956 1.00 0.00 N ATOM 611 CA PHE A 40 -3.091 -3.030 2.766 1.00 0.00 C ATOM 612 C PHE A 40 -2.893 -1.810 1.880 1.00 0.00 C ATOM 613 O PHE A 40 -2.438 -1.930 0.745 1.00 0.00 O ATOM 614 CB PHE A 40 -1.820 -3.290 3.581 1.00 0.00 C ATOM 615 CG PHE A 40 -1.958 -4.386 4.600 1.00 0.00 C ATOM 616 CD1 PHE A 40 -2.590 -4.150 5.811 1.00 0.00 C ATOM 617 CD2 PHE A 40 -1.457 -5.654 4.347 1.00 0.00 C ATOM 618 CE1 PHE A 40 -2.718 -5.157 6.749 1.00 0.00 C ATOM 619 CE2 PHE A 40 -1.583 -6.664 5.282 1.00 0.00 C ATOM 620 CZ PHE A 40 -2.215 -6.415 6.485 1.00 0.00 C ATOM 0 H PHE A 40 -2.887 -4.282 1.099 1.00 0.00 H new ATOM 0 HA PHE A 40 -3.915 -2.843 3.455 1.00 0.00 H new ATOM 0 HB2 PHE A 40 -1.009 -3.543 2.898 1.00 0.00 H new ATOM 0 HB3 PHE A 40 -1.533 -2.370 4.090 1.00 0.00 H new ATOM 0 HD1 PHE A 40 -2.987 -3.168 6.024 1.00 0.00 H new ATOM 0 HD2 PHE A 40 -0.962 -5.855 3.408 1.00 0.00 H new ATOM 0 HE1 PHE A 40 -3.212 -4.959 7.689 1.00 0.00 H new ATOM 0 HE2 PHE A 40 -1.188 -7.647 5.072 1.00 0.00 H new ATOM 0 HZ PHE A 40 -2.315 -7.203 7.217 1.00 0.00 H new ATOM 630 N ALA A 41 -3.236 -0.639 2.393 1.00 0.00 N ATOM 631 CA ALA A 41 -3.118 0.589 1.622 1.00 0.00 C ATOM 632 C ALA A 41 -2.175 1.578 2.296 1.00 0.00 C ATOM 633 O ALA A 41 -2.212 1.750 3.518 1.00 0.00 O ATOM 634 CB ALA A 41 -4.489 1.214 1.428 1.00 0.00 C ATOM 0 H ALA A 41 -3.598 -0.513 3.338 1.00 0.00 H new ATOM 0 HA ALA A 41 -2.697 0.339 0.648 1.00 0.00 H new ATOM 0 HB1 ALA A 41 -4.391 2.133 0.850 1.00 0.00 H new ATOM 0 HB2 ALA A 41 -5.135 0.516 0.895 1.00 0.00 H new ATOM 0 HB3 ALA A 41 -4.926 1.442 2.400 1.00 0.00 H new ATOM 640 N ILE A 42 -1.331 2.221 1.496 1.00 0.00 N ATOM 641 CA ILE A 42 -0.417 3.250 1.986 1.00 0.00 C ATOM 642 C ILE A 42 -0.256 4.351 0.937 1.00 0.00 C ATOM 643 O ILE A 42 -0.964 4.361 -0.067 1.00 0.00 O ATOM 644 CB ILE A 42 0.978 2.681 2.354 1.00 0.00 C ATOM 645 CG1 ILE A 42 1.561 1.873 1.192 1.00 0.00 C ATOM 646 CG2 ILE A 42 0.899 1.833 3.619 1.00 0.00 C ATOM 647 CD1 ILE A 42 2.966 1.363 1.449 1.00 0.00 C ATOM 0 H ILE A 42 -1.260 2.046 0.494 1.00 0.00 H new ATOM 0 HA ILE A 42 -0.857 3.658 2.896 1.00 0.00 H new ATOM 0 HB ILE A 42 1.646 3.520 2.549 1.00 0.00 H new ATOM 0 HG12 ILE A 42 0.908 1.025 0.987 1.00 0.00 H new ATOM 0 HG13 ILE A 42 1.568 2.494 0.296 1.00 0.00 H new ATOM 0 HG21 ILE A 42 1.889 1.444 3.859 1.00 0.00 H new ATOM 0 HG22 ILE A 42 0.540 2.446 4.446 1.00 0.00 H new ATOM 0 HG23 ILE A 42 0.212 1.002 3.458 1.00 0.00 H new ATOM 0 HD11 ILE A 42 3.313 0.800 0.583 1.00 0.00 H new ATOM 0 HD12 ILE A 42 3.633 2.207 1.624 1.00 0.00 H new ATOM 0 HD13 ILE A 42 2.963 0.715 2.325 1.00 0.00 H new ATOM 659 N SER A 43 0.657 5.282 1.178 1.00 0.00 N ATOM 660 CA SER A 43 0.888 6.391 0.257 1.00 0.00 C ATOM 661 C SER A 43 1.618 5.918 -1.007 1.00 0.00 C ATOM 662 O SER A 43 2.497 5.060 -0.936 1.00 0.00 O ATOM 663 CB SER A 43 1.701 7.478 0.961 1.00 0.00 C ATOM 664 OG SER A 43 1.116 7.814 2.213 1.00 0.00 O ATOM 0 H SER A 43 1.253 5.293 2.006 1.00 0.00 H new ATOM 0 HA SER A 43 -0.077 6.797 -0.047 1.00 0.00 H new ATOM 0 HB2 SER A 43 2.724 7.133 1.113 1.00 0.00 H new ATOM 0 HB3 SER A 43 1.755 8.365 0.330 1.00 0.00 H new ATOM 0 HG SER A 43 1.553 8.613 2.574 1.00 0.00 H new ATOM 670 N ASN A 44 1.237 6.471 -2.160 1.00 0.00 N ATOM 671 CA ASN A 44 1.878 6.121 -3.432 1.00 0.00 C ATOM 672 C ASN A 44 3.213 6.831 -3.567 1.00 0.00 C ATOM 673 O ASN A 44 4.191 6.256 -4.028 1.00 0.00 O ATOM 674 CB ASN A 44 1.018 6.540 -4.627 1.00 0.00 C ATOM 675 CG ASN A 44 -0.427 6.131 -4.512 1.00 0.00 C ATOM 676 OD1 ASN A 44 -1.191 6.776 -3.818 1.00 0.00 O ATOM 677 ND2 ASN A 44 -0.822 5.091 -5.222 1.00 0.00 N ATOM 0 H ASN A 44 0.490 7.161 -2.241 1.00 0.00 H new ATOM 0 HA ASN A 44 2.010 5.039 -3.429 1.00 0.00 H new ATOM 0 HB2 ASN A 44 1.071 7.623 -4.738 1.00 0.00 H new ATOM 0 HB3 ASN A 44 1.437 6.105 -5.534 1.00 0.00 H new ATOM 0 HD21 ASN A 44 -1.800 4.801 -5.202 1.00 0.00 H new ATOM 0 HD22 ASN A 44 -0.150 4.577 -5.791 1.00 0.00 H new ATOM 684 N ILE A 45 3.215 8.099 -3.184 1.00 0.00 N ATOM 685 CA ILE A 45 4.366 8.975 -3.360 1.00 0.00 C ATOM 686 C ILE A 45 5.076 9.157 -2.021 1.00 0.00 C ATOM 687 O ILE A 45 4.411 9.244 -0.987 1.00 0.00 O ATOM 688 CB ILE A 45 3.907 10.370 -3.848 1.00 0.00 C ATOM 689 CG1 ILE A 45 2.919 10.251 -5.017 1.00 0.00 C ATOM 690 CG2 ILE A 45 5.101 11.228 -4.243 1.00 0.00 C ATOM 691 CD1 ILE A 45 3.470 9.537 -6.233 1.00 0.00 C ATOM 0 H ILE A 45 2.416 8.552 -2.741 1.00 0.00 H new ATOM 0 HA ILE A 45 5.034 8.524 -4.094 1.00 0.00 H new ATOM 0 HB ILE A 45 3.393 10.858 -3.019 1.00 0.00 H new ATOM 0 HG12 ILE A 45 2.030 9.723 -4.673 1.00 0.00 H new ATOM 0 HG13 ILE A 45 2.601 11.251 -5.311 1.00 0.00 H new ATOM 0 HG21 ILE A 45 4.752 12.203 -4.582 1.00 0.00 H new ATOM 0 HG22 ILE A 45 5.757 11.357 -3.382 1.00 0.00 H new ATOM 0 HG23 ILE A 45 5.650 10.739 -5.048 1.00 0.00 H new ATOM 0 HD11 ILE A 45 2.706 9.498 -7.009 1.00 0.00 H new ATOM 0 HD12 ILE A 45 4.341 10.075 -6.607 1.00 0.00 H new ATOM 0 HD13 ILE A 45 3.760 8.523 -5.959 1.00 0.00 H new ATOM 703 N ASP A 46 6.406 9.196 -2.032 1.00 0.00 N ATOM 704 CA ASP A 46 7.160 9.575 -0.833 1.00 0.00 C ATOM 705 C ASP A 46 6.763 10.973 -0.389 1.00 0.00 C ATOM 706 O ASP A 46 6.992 11.943 -1.109 1.00 0.00 O ATOM 707 CB ASP A 46 8.667 9.555 -1.087 1.00 0.00 C ATOM 708 CG ASP A 46 9.311 8.236 -0.731 1.00 0.00 C ATOM 709 OD1 ASP A 46 9.034 7.236 -1.416 1.00 0.00 O ATOM 710 OD2 ASP A 46 10.108 8.207 0.226 1.00 0.00 O ATOM 0 H ASP A 46 6.981 8.974 -2.845 1.00 0.00 H new ATOM 0 HA ASP A 46 6.924 8.847 -0.057 1.00 0.00 H new ATOM 0 HB2 ASP A 46 8.855 9.772 -2.138 1.00 0.00 H new ATOM 0 HB3 ASP A 46 9.137 10.350 -0.508 1.00 0.00 H new ATOM 715 N PRO A 47 6.171 11.101 0.801 1.00 0.00 N ATOM 716 CA PRO A 47 5.701 12.391 1.304 1.00 0.00 C ATOM 717 C PRO A 47 6.852 13.358 1.567 1.00 0.00 C ATOM 718 O PRO A 47 6.883 14.464 1.032 1.00 0.00 O ATOM 719 CB PRO A 47 4.989 12.038 2.620 1.00 0.00 C ATOM 720 CG PRO A 47 4.784 10.559 2.578 1.00 0.00 C ATOM 721 CD PRO A 47 5.906 10.010 1.748 1.00 0.00 C ATOM 0 HA PRO A 47 5.056 12.894 0.584 1.00 0.00 H new ATOM 0 HB2 PRO A 47 5.591 12.327 3.482 1.00 0.00 H new ATOM 0 HB3 PRO A 47 4.038 12.564 2.705 1.00 0.00 H new ATOM 0 HG2 PRO A 47 4.797 10.135 3.582 1.00 0.00 H new ATOM 0 HG3 PRO A 47 3.817 10.311 2.140 1.00 0.00 H new ATOM 0 HD2 PRO A 47 6.782 9.778 2.354 1.00 0.00 H new ATOM 0 HD3 PRO A 47 5.619 9.091 1.237 1.00 0.00 H new ATOM 729 N PHE A 48 7.801 12.926 2.383 1.00 0.00 N ATOM 730 CA PHE A 48 8.890 13.790 2.815 1.00 0.00 C ATOM 731 C PHE A 48 10.104 13.682 1.887 1.00 0.00 C ATOM 732 O PHE A 48 11.067 14.435 2.021 1.00 0.00 O ATOM 733 CB PHE A 48 9.280 13.434 4.250 1.00 0.00 C ATOM 734 CG PHE A 48 9.987 14.536 4.986 1.00 0.00 C ATOM 735 CD1 PHE A 48 9.289 15.658 5.408 1.00 0.00 C ATOM 736 CD2 PHE A 48 11.340 14.448 5.265 1.00 0.00 C ATOM 737 CE1 PHE A 48 9.930 16.671 6.094 1.00 0.00 C ATOM 738 CE2 PHE A 48 11.986 15.459 5.948 1.00 0.00 C ATOM 739 CZ PHE A 48 11.281 16.572 6.363 1.00 0.00 C ATOM 0 H PHE A 48 7.839 11.979 2.761 1.00 0.00 H new ATOM 0 HA PHE A 48 8.545 14.823 2.774 1.00 0.00 H new ATOM 0 HB2 PHE A 48 8.381 13.162 4.802 1.00 0.00 H new ATOM 0 HB3 PHE A 48 9.922 12.553 4.233 1.00 0.00 H new ATOM 0 HD1 PHE A 48 8.233 15.740 5.198 1.00 0.00 H new ATOM 0 HD2 PHE A 48 11.896 13.579 4.945 1.00 0.00 H new ATOM 0 HE1 PHE A 48 9.376 17.539 6.419 1.00 0.00 H new ATOM 0 HE2 PHE A 48 13.042 15.380 6.158 1.00 0.00 H new ATOM 0 HZ PHE A 48 11.786 17.364 6.897 1.00 0.00 H new ATOM 749 N PHE A 49 10.062 12.745 0.950 1.00 0.00 N ATOM 750 CA PHE A 49 11.212 12.492 0.081 1.00 0.00 C ATOM 751 C PHE A 49 10.907 12.844 -1.376 1.00 0.00 C ATOM 752 O PHE A 49 11.812 13.201 -2.135 1.00 0.00 O ATOM 753 CB PHE A 49 11.636 11.024 0.199 1.00 0.00 C ATOM 754 CG PHE A 49 12.855 10.660 -0.605 1.00 0.00 C ATOM 755 CD1 PHE A 49 14.122 10.981 -0.148 1.00 0.00 C ATOM 756 CD2 PHE A 49 12.730 9.992 -1.814 1.00 0.00 C ATOM 757 CE1 PHE A 49 15.244 10.647 -0.882 1.00 0.00 C ATOM 758 CE2 PHE A 49 13.848 9.654 -2.552 1.00 0.00 C ATOM 759 CZ PHE A 49 15.107 9.982 -2.085 1.00 0.00 C ATOM 0 H PHE A 49 9.253 12.150 0.770 1.00 0.00 H new ATOM 0 HA PHE A 49 12.031 13.133 0.407 1.00 0.00 H new ATOM 0 HB2 PHE A 49 11.827 10.797 1.248 1.00 0.00 H new ATOM 0 HB3 PHE A 49 10.806 10.393 -0.117 1.00 0.00 H new ATOM 0 HD1 PHE A 49 14.235 11.499 0.793 1.00 0.00 H new ATOM 0 HD2 PHE A 49 11.748 9.733 -2.182 1.00 0.00 H new ATOM 0 HE1 PHE A 49 16.227 10.905 -0.516 1.00 0.00 H new ATOM 0 HE2 PHE A 49 13.738 9.134 -3.492 1.00 0.00 H new ATOM 0 HZ PHE A 49 15.982 9.719 -2.660 1.00 0.00 H new ATOM 769 N GLU A 50 9.629 12.755 -1.745 1.00 0.00 N ATOM 770 CA GLU A 50 9.176 12.978 -3.118 1.00 0.00 C ATOM 771 C GLU A 50 9.730 11.911 -4.063 1.00 0.00 C ATOM 772 O GLU A 50 10.843 12.027 -4.584 1.00 0.00 O ATOM 773 CB GLU A 50 9.546 14.377 -3.623 1.00 0.00 C ATOM 774 CG GLU A 50 8.981 14.684 -5.000 1.00 0.00 C ATOM 775 CD GLU A 50 9.550 15.950 -5.598 1.00 0.00 C ATOM 776 OE1 GLU A 50 10.670 15.897 -6.154 1.00 0.00 O ATOM 777 OE2 GLU A 50 8.883 17.002 -5.524 1.00 0.00 O ATOM 0 H GLU A 50 8.876 12.525 -1.097 1.00 0.00 H new ATOM 0 HA GLU A 50 8.089 12.903 -3.107 1.00 0.00 H new ATOM 0 HB2 GLU A 50 9.182 15.120 -2.914 1.00 0.00 H new ATOM 0 HB3 GLU A 50 10.632 14.470 -3.654 1.00 0.00 H new ATOM 0 HG2 GLU A 50 9.188 13.847 -5.667 1.00 0.00 H new ATOM 0 HG3 GLU A 50 7.897 14.776 -4.931 1.00 0.00 H new ATOM 784 N SER A 51 8.949 10.867 -4.259 1.00 0.00 N ATOM 785 CA SER A 51 9.294 9.801 -5.179 1.00 0.00 C ATOM 786 C SER A 51 8.142 9.600 -6.150 1.00 0.00 C ATOM 787 O SER A 51 7.268 10.456 -6.266 1.00 0.00 O ATOM 788 CB SER A 51 9.569 8.506 -4.415 1.00 0.00 C ATOM 789 OG SER A 51 8.399 8.061 -3.757 1.00 0.00 O ATOM 0 H SER A 51 8.056 10.734 -3.784 1.00 0.00 H new ATOM 0 HA SER A 51 10.197 10.071 -5.727 1.00 0.00 H new ATOM 0 HB2 SER A 51 9.920 7.738 -5.104 1.00 0.00 H new ATOM 0 HB3 SER A 51 10.364 8.668 -3.687 1.00 0.00 H new ATOM 0 HG SER A 51 8.641 7.415 -3.061 1.00 0.00 H new ATOM 795 N SER A 52 8.149 8.496 -6.864 1.00 0.00 N ATOM 796 CA SER A 52 7.033 8.162 -7.720 1.00 0.00 C ATOM 797 C SER A 52 6.180 7.087 -7.060 1.00 0.00 C ATOM 798 O SER A 52 6.361 6.789 -5.884 1.00 0.00 O ATOM 799 CB SER A 52 7.539 7.704 -9.087 1.00 0.00 C ATOM 800 OG SER A 52 8.437 8.657 -9.634 1.00 0.00 O ATOM 0 H SER A 52 8.911 7.818 -6.869 1.00 0.00 H new ATOM 0 HA SER A 52 6.413 9.046 -7.869 1.00 0.00 H new ATOM 0 HB2 SER A 52 8.038 6.740 -8.991 1.00 0.00 H new ATOM 0 HB3 SER A 52 6.696 7.561 -9.763 1.00 0.00 H new ATOM 0 HG SER A 52 8.752 8.346 -10.508 1.00 0.00 H new ATOM 806 N VAL A 53 5.256 6.511 -7.814 1.00 0.00 N ATOM 807 CA VAL A 53 4.326 5.544 -7.251 1.00 0.00 C ATOM 808 C VAL A 53 5.038 4.252 -6.852 1.00 0.00 C ATOM 809 O VAL A 53 5.708 3.609 -7.663 1.00 0.00 O ATOM 810 CB VAL A 53 3.181 5.223 -8.239 1.00 0.00 C ATOM 811 CG1 VAL A 53 2.252 6.417 -8.390 1.00 0.00 C ATOM 812 CG2 VAL A 53 3.731 4.806 -9.598 1.00 0.00 C ATOM 0 H VAL A 53 5.130 6.694 -8.810 1.00 0.00 H new ATOM 0 HA VAL A 53 3.900 5.998 -6.357 1.00 0.00 H new ATOM 0 HB VAL A 53 2.612 4.388 -7.831 1.00 0.00 H new ATOM 0 HG11 VAL A 53 1.453 6.170 -9.089 1.00 0.00 H new ATOM 0 HG12 VAL A 53 1.821 6.668 -7.421 1.00 0.00 H new ATOM 0 HG13 VAL A 53 2.815 7.270 -8.768 1.00 0.00 H new ATOM 0 HG21 VAL A 53 2.904 4.586 -10.273 1.00 0.00 H new ATOM 0 HG22 VAL A 53 4.332 5.616 -10.012 1.00 0.00 H new ATOM 0 HG23 VAL A 53 4.351 3.917 -9.482 1.00 0.00 H new ATOM 822 N LEU A 54 4.872 3.882 -5.590 1.00 0.00 N ATOM 823 CA LEU A 54 5.458 2.656 -5.056 1.00 0.00 C ATOM 824 C LEU A 54 4.695 1.437 -5.567 1.00 0.00 C ATOM 825 O LEU A 54 5.137 0.300 -5.406 1.00 0.00 O ATOM 826 CB LEU A 54 5.422 2.676 -3.524 1.00 0.00 C ATOM 827 CG LEU A 54 5.960 3.951 -2.870 1.00 0.00 C ATOM 828 CD1 LEU A 54 5.816 3.868 -1.358 1.00 0.00 C ATOM 829 CD2 LEU A 54 7.411 4.191 -3.259 1.00 0.00 C ATOM 0 H LEU A 54 4.332 4.417 -4.910 1.00 0.00 H new ATOM 0 HA LEU A 54 6.494 2.595 -5.391 1.00 0.00 H new ATOM 0 HB2 LEU A 54 4.392 2.529 -3.200 1.00 0.00 H new ATOM 0 HB3 LEU A 54 5.997 1.828 -3.153 1.00 0.00 H new ATOM 0 HG LEU A 54 5.373 4.796 -3.230 1.00 0.00 H new ATOM 0 HD11 LEU A 54 6.202 4.781 -0.905 1.00 0.00 H new ATOM 0 HD12 LEU A 54 4.764 3.751 -1.099 1.00 0.00 H new ATOM 0 HD13 LEU A 54 6.379 3.012 -0.985 1.00 0.00 H new ATOM 0 HD21 LEU A 54 7.770 5.103 -2.781 1.00 0.00 H new ATOM 0 HD22 LEU A 54 8.019 3.347 -2.933 1.00 0.00 H new ATOM 0 HD23 LEU A 54 7.485 4.295 -4.341 1.00 0.00 H new ATOM 841 N SER A 55 3.549 1.694 -6.192 1.00 0.00 N ATOM 842 CA SER A 55 2.683 0.646 -6.714 1.00 0.00 C ATOM 843 C SER A 55 3.394 -0.189 -7.784 1.00 0.00 C ATOM 844 O SER A 55 3.032 -1.337 -8.032 1.00 0.00 O ATOM 845 CB SER A 55 1.420 1.280 -7.298 1.00 0.00 C ATOM 846 OG SER A 55 0.845 2.208 -6.387 1.00 0.00 O ATOM 0 H SER A 55 3.196 2.638 -6.350 1.00 0.00 H new ATOM 0 HA SER A 55 2.419 -0.023 -5.895 1.00 0.00 H new ATOM 0 HB2 SER A 55 1.662 1.786 -8.233 1.00 0.00 H new ATOM 0 HB3 SER A 55 0.695 0.502 -7.535 1.00 0.00 H new ATOM 0 HG SER A 55 -0.085 1.957 -6.208 1.00 0.00 H new ATOM 852 N ARG A 56 4.416 0.390 -8.401 1.00 0.00 N ATOM 853 CA ARG A 56 5.160 -0.294 -9.451 1.00 0.00 C ATOM 854 C ARG A 56 6.428 -0.931 -8.876 1.00 0.00 C ATOM 855 O ARG A 56 7.498 -0.907 -9.493 1.00 0.00 O ATOM 856 CB ARG A 56 5.502 0.673 -10.591 1.00 0.00 C ATOM 857 CG ARG A 56 5.915 -0.044 -11.866 1.00 0.00 C ATOM 858 CD ARG A 56 6.226 0.918 -12.999 1.00 0.00 C ATOM 859 NE ARG A 56 6.670 0.202 -14.195 1.00 0.00 N ATOM 860 CZ ARG A 56 7.339 0.760 -15.203 1.00 0.00 C ATOM 861 NH1 ARG A 56 7.607 2.061 -15.198 1.00 0.00 N ATOM 862 NH2 ARG A 56 7.727 0.017 -16.230 1.00 0.00 N ATOM 0 H ARG A 56 4.749 1.331 -8.193 1.00 0.00 H new ATOM 0 HA ARG A 56 4.533 -1.087 -9.860 1.00 0.00 H new ATOM 0 HB2 ARG A 56 4.638 1.304 -10.798 1.00 0.00 H new ATOM 0 HB3 ARG A 56 6.309 1.332 -10.272 1.00 0.00 H new ATOM 0 HG2 ARG A 56 6.792 -0.660 -11.665 1.00 0.00 H new ATOM 0 HG3 ARG A 56 5.116 -0.718 -12.175 1.00 0.00 H new ATOM 0 HD2 ARG A 56 5.339 1.507 -13.233 1.00 0.00 H new ATOM 0 HD3 ARG A 56 6.999 1.618 -12.683 1.00 0.00 H new ATOM 0 HE ARG A 56 6.453 -0.792 -14.262 1.00 0.00 H new ATOM 0 HH11 ARG A 56 7.300 2.642 -14.418 1.00 0.00 H new ATOM 0 HH12 ARG A 56 8.120 2.479 -15.974 1.00 0.00 H new ATOM 0 HH21 ARG A 56 7.513 -0.980 -16.248 1.00 0.00 H new ATOM 0 HH22 ARG A 56 8.239 0.443 -17.003 1.00 0.00 H new ATOM 876 N GLY A 57 6.291 -1.521 -7.699 1.00 0.00 N ATOM 877 CA GLY A 57 7.425 -2.123 -7.028 1.00 0.00 C ATOM 878 C GLY A 57 7.083 -3.489 -6.478 1.00 0.00 C ATOM 879 O GLY A 57 5.910 -3.846 -6.366 1.00 0.00 O ATOM 0 H GLY A 57 5.408 -1.594 -7.193 1.00 0.00 H new ATOM 0 HA2 GLY A 57 8.258 -2.209 -7.726 1.00 0.00 H new ATOM 0 HA3 GLY A 57 7.755 -1.475 -6.216 1.00 0.00 H new ATOM 883 N LEU A 58 8.107 -4.253 -6.132 1.00 0.00 N ATOM 884 CA LEU A 58 7.935 -5.664 -5.819 1.00 0.00 C ATOM 885 C LEU A 58 7.788 -5.883 -4.321 1.00 0.00 C ATOM 886 O LEU A 58 8.622 -5.437 -3.533 1.00 0.00 O ATOM 887 CB LEU A 58 9.124 -6.488 -6.341 1.00 0.00 C ATOM 888 CG LEU A 58 9.374 -6.440 -7.857 1.00 0.00 C ATOM 889 CD1 LEU A 58 8.075 -6.634 -8.629 1.00 0.00 C ATOM 890 CD2 LEU A 58 10.061 -5.141 -8.257 1.00 0.00 C ATOM 0 H LEU A 58 9.068 -3.919 -6.061 1.00 0.00 H new ATOM 0 HA LEU A 58 7.022 -5.997 -6.313 1.00 0.00 H new ATOM 0 HB2 LEU A 58 10.026 -6.145 -5.835 1.00 0.00 H new ATOM 0 HB3 LEU A 58 8.972 -7.528 -6.052 1.00 0.00 H new ATOM 0 HG LEU A 58 10.042 -7.262 -8.114 1.00 0.00 H new ATOM 0 HD11 LEU A 58 8.279 -6.596 -9.699 1.00 0.00 H new ATOM 0 HD12 LEU A 58 7.643 -7.602 -8.376 1.00 0.00 H new ATOM 0 HD13 LEU A 58 7.373 -5.843 -8.365 1.00 0.00 H new ATOM 0 HD21 LEU A 58 10.226 -5.133 -9.334 1.00 0.00 H new ATOM 0 HD22 LEU A 58 9.431 -4.296 -7.980 1.00 0.00 H new ATOM 0 HD23 LEU A 58 11.019 -5.063 -7.743 1.00 0.00 H new ATOM 902 N ILE A 59 6.726 -6.569 -3.931 1.00 0.00 N ATOM 903 CA ILE A 59 6.525 -6.934 -2.539 1.00 0.00 C ATOM 904 C ILE A 59 7.399 -8.137 -2.193 1.00 0.00 C ATOM 905 O ILE A 59 7.324 -9.178 -2.846 1.00 0.00 O ATOM 906 CB ILE A 59 5.043 -7.257 -2.250 1.00 0.00 C ATOM 907 CG1 ILE A 59 4.165 -6.053 -2.613 1.00 0.00 C ATOM 908 CG2 ILE A 59 4.851 -7.640 -0.787 1.00 0.00 C ATOM 909 CD1 ILE A 59 2.682 -6.301 -2.442 1.00 0.00 C ATOM 0 H ILE A 59 5.988 -6.885 -4.561 1.00 0.00 H new ATOM 0 HA ILE A 59 6.809 -6.084 -1.919 1.00 0.00 H new ATOM 0 HB ILE A 59 4.744 -8.107 -2.863 1.00 0.00 H new ATOM 0 HG12 ILE A 59 4.455 -5.204 -1.993 1.00 0.00 H new ATOM 0 HG13 ILE A 59 4.359 -5.773 -3.648 1.00 0.00 H new ATOM 0 HG21 ILE A 59 3.800 -7.864 -0.604 1.00 0.00 H new ATOM 0 HG22 ILE A 59 5.454 -8.519 -0.559 1.00 0.00 H new ATOM 0 HG23 ILE A 59 5.162 -6.812 -0.150 1.00 0.00 H new ATOM 0 HD11 ILE A 59 2.129 -5.403 -2.718 1.00 0.00 H new ATOM 0 HD12 ILE A 59 2.375 -7.128 -3.082 1.00 0.00 H new ATOM 0 HD13 ILE A 59 2.472 -6.550 -1.402 1.00 0.00 H new ATOM 921 N ALA A 60 8.229 -7.978 -1.176 1.00 0.00 N ATOM 922 CA ALA A 60 9.193 -8.998 -0.804 1.00 0.00 C ATOM 923 C ALA A 60 9.221 -9.188 0.709 1.00 0.00 C ATOM 924 O ALA A 60 8.391 -8.635 1.429 1.00 0.00 O ATOM 925 CB ALA A 60 10.573 -8.619 -1.324 1.00 0.00 C ATOM 0 H ALA A 60 8.254 -7.144 -0.589 1.00 0.00 H new ATOM 0 HA ALA A 60 8.895 -9.944 -1.255 1.00 0.00 H new ATOM 0 HB1 ALA A 60 11.292 -9.388 -1.042 1.00 0.00 H new ATOM 0 HB2 ALA A 60 10.541 -8.533 -2.410 1.00 0.00 H new ATOM 0 HB3 ALA A 60 10.875 -7.664 -0.893 1.00 0.00 H new ATOM 931 N GLU A 61 10.173 -9.968 1.188 1.00 0.00 N ATOM 932 CA GLU A 61 10.276 -10.253 2.610 1.00 0.00 C ATOM 933 C GLU A 61 11.647 -9.842 3.134 1.00 0.00 C ATOM 934 O GLU A 61 12.671 -10.216 2.564 1.00 0.00 O ATOM 935 CB GLU A 61 10.052 -11.740 2.860 1.00 0.00 C ATOM 936 CG GLU A 61 10.091 -12.120 4.326 1.00 0.00 C ATOM 937 CD GLU A 61 10.423 -13.579 4.527 1.00 0.00 C ATOM 938 OE1 GLU A 61 9.691 -14.441 3.994 1.00 0.00 O ATOM 939 OE2 GLU A 61 11.429 -13.868 5.205 1.00 0.00 O ATOM 0 H GLU A 61 10.887 -10.416 0.614 1.00 0.00 H new ATOM 0 HA GLU A 61 9.512 -9.682 3.137 1.00 0.00 H new ATOM 0 HB2 GLU A 61 9.087 -12.029 2.444 1.00 0.00 H new ATOM 0 HB3 GLU A 61 10.813 -12.309 2.325 1.00 0.00 H new ATOM 0 HG2 GLU A 61 10.831 -11.506 4.839 1.00 0.00 H new ATOM 0 HG3 GLU A 61 9.125 -11.902 4.782 1.00 0.00 H new ATOM 946 N HIS A 62 11.666 -9.076 4.215 1.00 0.00 N ATOM 947 CA HIS A 62 12.928 -8.655 4.813 1.00 0.00 C ATOM 948 C HIS A 62 13.251 -9.505 6.039 1.00 0.00 C ATOM 949 O HIS A 62 14.389 -9.932 6.223 1.00 0.00 O ATOM 950 CB HIS A 62 12.881 -7.169 5.195 1.00 0.00 C ATOM 951 CG HIS A 62 14.185 -6.637 5.726 1.00 0.00 C ATOM 952 ND1 HIS A 62 15.140 -6.047 4.928 1.00 0.00 N ATOM 953 CD2 HIS A 62 14.686 -6.613 6.985 1.00 0.00 C ATOM 954 CE1 HIS A 62 16.169 -5.683 5.670 1.00 0.00 C ATOM 955 NE2 HIS A 62 15.918 -6.016 6.920 1.00 0.00 N ATOM 0 H HIS A 62 10.832 -8.735 4.693 1.00 0.00 H new ATOM 0 HA HIS A 62 13.716 -8.796 4.073 1.00 0.00 H new ATOM 0 HB2 HIS A 62 12.591 -6.587 4.320 1.00 0.00 H new ATOM 0 HB3 HIS A 62 12.106 -7.021 5.947 1.00 0.00 H new ATOM 0 HD2 HIS A 62 14.204 -6.993 7.874 1.00 0.00 H new ATOM 0 HE1 HIS A 62 17.064 -5.195 5.313 1.00 0.00 H new ATOM 0 HE2 HIS A 62 16.540 -5.855 7.712 1.00 0.00 H new ATOM 964 N GLN A 63 12.247 -9.740 6.872 1.00 0.00 N ATOM 965 CA GLN A 63 12.431 -10.504 8.104 1.00 0.00 C ATOM 966 C GLN A 63 11.130 -11.194 8.503 1.00 0.00 C ATOM 967 O GLN A 63 10.571 -10.932 9.567 1.00 0.00 O ATOM 968 CB GLN A 63 12.912 -9.588 9.239 1.00 0.00 C ATOM 969 CG GLN A 63 12.073 -8.328 9.409 1.00 0.00 C ATOM 970 CD GLN A 63 12.351 -7.606 10.714 1.00 0.00 C ATOM 971 OE1 GLN A 63 13.233 -6.748 10.792 1.00 0.00 O ATOM 972 NE2 GLN A 63 11.594 -7.944 11.744 1.00 0.00 N ATOM 0 H GLN A 63 11.293 -9.413 6.719 1.00 0.00 H new ATOM 0 HA GLN A 63 13.190 -11.265 7.924 1.00 0.00 H new ATOM 0 HB2 GLN A 63 12.903 -10.148 10.174 1.00 0.00 H new ATOM 0 HB3 GLN A 63 13.946 -9.302 9.049 1.00 0.00 H new ATOM 0 HG2 GLN A 63 12.269 -7.652 8.577 1.00 0.00 H new ATOM 0 HG3 GLN A 63 11.016 -8.592 9.363 1.00 0.00 H new ATOM 0 HE21 GLN A 63 10.875 -8.660 11.636 1.00 0.00 H new ATOM 0 HE22 GLN A 63 11.729 -7.489 12.647 1.00 0.00 H new ATOM 981 N GLY A 64 10.633 -12.060 7.630 1.00 0.00 N ATOM 982 CA GLY A 64 9.356 -12.710 7.873 1.00 0.00 C ATOM 983 C GLY A 64 8.186 -11.817 7.511 1.00 0.00 C ATOM 984 O GLY A 64 7.120 -12.295 7.126 1.00 0.00 O ATOM 0 H GLY A 64 11.090 -12.325 6.757 1.00 0.00 H new ATOM 0 HA2 GLY A 64 9.302 -13.631 7.293 1.00 0.00 H new ATOM 0 HA3 GLY A 64 9.286 -12.991 8.924 1.00 0.00 H new ATOM 988 N GLU A 65 8.399 -10.515 7.619 1.00 0.00 N ATOM 989 CA GLU A 65 7.373 -9.530 7.317 1.00 0.00 C ATOM 990 C GLU A 65 7.428 -9.165 5.839 1.00 0.00 C ATOM 991 O GLU A 65 8.510 -9.149 5.239 1.00 0.00 O ATOM 992 CB GLU A 65 7.604 -8.270 8.152 1.00 0.00 C ATOM 993 CG GLU A 65 7.897 -8.541 9.618 1.00 0.00 C ATOM 994 CD GLU A 65 8.386 -7.301 10.341 1.00 0.00 C ATOM 995 OE1 GLU A 65 8.780 -6.333 9.659 1.00 0.00 O ATOM 996 OE2 GLU A 65 8.380 -7.291 11.589 1.00 0.00 O ATOM 0 H GLU A 65 9.287 -10.112 7.918 1.00 0.00 H new ATOM 0 HA GLU A 65 6.396 -9.952 7.554 1.00 0.00 H new ATOM 0 HB2 GLU A 65 8.436 -7.711 7.724 1.00 0.00 H new ATOM 0 HB3 GLU A 65 6.722 -7.633 8.081 1.00 0.00 H new ATOM 0 HG2 GLU A 65 6.995 -8.912 10.105 1.00 0.00 H new ATOM 0 HG3 GLU A 65 8.648 -9.327 9.698 1.00 0.00 H new ATOM 1003 N LEU A 66 6.273 -8.874 5.259 1.00 0.00 N ATOM 1004 CA LEU A 66 6.205 -8.496 3.857 1.00 0.00 C ATOM 1005 C LEU A 66 6.379 -6.993 3.692 1.00 0.00 C ATOM 1006 O LEU A 66 5.537 -6.196 4.115 1.00 0.00 O ATOM 1007 CB LEU A 66 4.887 -8.955 3.228 1.00 0.00 C ATOM 1008 CG LEU A 66 4.695 -10.473 3.158 1.00 0.00 C ATOM 1009 CD1 LEU A 66 3.398 -10.815 2.450 1.00 0.00 C ATOM 1010 CD2 LEU A 66 5.870 -11.135 2.455 1.00 0.00 C ATOM 0 H LEU A 66 5.372 -8.893 5.737 1.00 0.00 H new ATOM 0 HA LEU A 66 7.022 -8.995 3.337 1.00 0.00 H new ATOM 0 HB2 LEU A 66 4.062 -8.526 3.797 1.00 0.00 H new ATOM 0 HB3 LEU A 66 4.823 -8.549 2.218 1.00 0.00 H new ATOM 0 HG LEU A 66 4.646 -10.854 4.178 1.00 0.00 H new ATOM 0 HD11 LEU A 66 3.280 -11.898 2.410 1.00 0.00 H new ATOM 0 HD12 LEU A 66 2.560 -10.378 2.994 1.00 0.00 H new ATOM 0 HD13 LEU A 66 3.420 -10.415 1.436 1.00 0.00 H new ATOM 0 HD21 LEU A 66 5.711 -12.213 2.417 1.00 0.00 H new ATOM 0 HD22 LEU A 66 5.954 -10.745 1.441 1.00 0.00 H new ATOM 0 HD23 LEU A 66 6.788 -10.922 3.003 1.00 0.00 H new ATOM 1022 N TRP A 67 7.490 -6.624 3.085 1.00 0.00 N ATOM 1023 CA TRP A 67 7.813 -5.235 2.819 1.00 0.00 C ATOM 1024 C TRP A 67 7.748 -4.988 1.319 1.00 0.00 C ATOM 1025 O TRP A 67 7.970 -5.903 0.530 1.00 0.00 O ATOM 1026 CB TRP A 67 9.222 -4.901 3.329 1.00 0.00 C ATOM 1027 CG TRP A 67 9.369 -4.893 4.827 1.00 0.00 C ATOM 1028 CD1 TRP A 67 9.145 -5.930 5.689 1.00 0.00 C ATOM 1029 CD2 TRP A 67 9.805 -3.792 5.633 1.00 0.00 C ATOM 1030 NE1 TRP A 67 9.401 -5.532 6.981 1.00 0.00 N ATOM 1031 CE2 TRP A 67 9.811 -4.229 6.971 1.00 0.00 C ATOM 1032 CE3 TRP A 67 10.189 -2.479 5.355 1.00 0.00 C ATOM 1033 CZ2 TRP A 67 10.185 -3.400 8.024 1.00 0.00 C ATOM 1034 CZ3 TRP A 67 10.558 -1.657 6.402 1.00 0.00 C ATOM 1035 CH2 TRP A 67 10.556 -2.120 7.723 1.00 0.00 C ATOM 0 H TRP A 67 8.198 -7.283 2.761 1.00 0.00 H new ATOM 0 HA TRP A 67 7.095 -4.599 3.337 1.00 0.00 H new ATOM 0 HB2 TRP A 67 9.924 -5.624 2.914 1.00 0.00 H new ATOM 0 HB3 TRP A 67 9.509 -3.922 2.945 1.00 0.00 H new ATOM 0 HD1 TRP A 67 8.816 -6.917 5.399 1.00 0.00 H new ATOM 0 HE1 TRP A 67 9.301 -6.115 7.812 1.00 0.00 H new ATOM 0 HE3 TRP A 67 10.197 -2.112 4.339 1.00 0.00 H new ATOM 0 HZ2 TRP A 67 10.182 -3.756 9.044 1.00 0.00 H new ATOM 0 HZ3 TRP A 67 10.853 -0.638 6.198 1.00 0.00 H new ATOM 0 HH2 TRP A 67 10.853 -1.453 8.519 1.00 0.00 H new ATOM 1046 N VAL A 68 7.453 -3.769 0.916 1.00 0.00 N ATOM 1047 CA VAL A 68 7.455 -3.441 -0.497 1.00 0.00 C ATOM 1048 C VAL A 68 8.791 -2.811 -0.876 1.00 0.00 C ATOM 1049 O VAL A 68 9.254 -1.859 -0.237 1.00 0.00 O ATOM 1050 CB VAL A 68 6.274 -2.518 -0.893 1.00 0.00 C ATOM 1051 CG1 VAL A 68 6.304 -1.204 -0.129 1.00 0.00 C ATOM 1052 CG2 VAL A 68 6.271 -2.263 -2.392 1.00 0.00 C ATOM 0 H VAL A 68 7.211 -2.997 1.537 1.00 0.00 H new ATOM 0 HA VAL A 68 7.321 -4.368 -1.054 1.00 0.00 H new ATOM 0 HB VAL A 68 5.353 -3.034 -0.624 1.00 0.00 H new ATOM 0 HG11 VAL A 68 5.460 -0.586 -0.435 1.00 0.00 H new ATOM 0 HG12 VAL A 68 6.238 -1.403 0.941 1.00 0.00 H new ATOM 0 HG13 VAL A 68 7.235 -0.679 -0.344 1.00 0.00 H new ATOM 0 HG21 VAL A 68 5.434 -1.613 -2.649 1.00 0.00 H new ATOM 0 HG22 VAL A 68 7.206 -1.783 -2.681 1.00 0.00 H new ATOM 0 HG23 VAL A 68 6.171 -3.210 -2.922 1.00 0.00 H new ATOM 1062 N ALA A 69 9.429 -3.388 -1.882 1.00 0.00 N ATOM 1063 CA ALA A 69 10.724 -2.926 -2.335 1.00 0.00 C ATOM 1064 C ALA A 69 10.573 -2.009 -3.531 1.00 0.00 C ATOM 1065 O ALA A 69 10.308 -2.463 -4.650 1.00 0.00 O ATOM 1066 CB ALA A 69 11.617 -4.106 -2.681 1.00 0.00 C ATOM 0 H ALA A 69 9.063 -4.185 -2.403 1.00 0.00 H new ATOM 0 HA ALA A 69 11.191 -2.363 -1.526 1.00 0.00 H new ATOM 0 HB1 ALA A 69 12.587 -3.741 -3.020 1.00 0.00 H new ATOM 0 HB2 ALA A 69 11.753 -4.731 -1.798 1.00 0.00 H new ATOM 0 HB3 ALA A 69 11.153 -4.693 -3.473 1.00 0.00 H new ATOM 1072 N SER A 70 10.717 -0.722 -3.287 1.00 0.00 N ATOM 1073 CA SER A 70 10.628 0.263 -4.342 1.00 0.00 C ATOM 1074 C SER A 70 11.929 0.290 -5.140 1.00 0.00 C ATOM 1075 O SER A 70 13.010 0.448 -4.569 1.00 0.00 O ATOM 1076 CB SER A 70 10.340 1.636 -3.739 1.00 0.00 C ATOM 1077 OG SER A 70 9.246 1.567 -2.838 1.00 0.00 O ATOM 0 H SER A 70 10.897 -0.334 -2.361 1.00 0.00 H new ATOM 0 HA SER A 70 9.814 -0.001 -5.017 1.00 0.00 H new ATOM 0 HB2 SER A 70 11.224 2.003 -3.218 1.00 0.00 H new ATOM 0 HB3 SER A 70 10.119 2.349 -4.533 1.00 0.00 H new ATOM 0 HG SER A 70 9.570 1.687 -1.921 1.00 0.00 H new ATOM 1083 N PRO A 71 11.842 0.116 -6.472 1.00 0.00 N ATOM 1084 CA PRO A 71 13.016 0.134 -7.352 1.00 0.00 C ATOM 1085 C PRO A 71 13.772 1.452 -7.255 1.00 0.00 C ATOM 1086 O PRO A 71 14.982 1.511 -7.478 1.00 0.00 O ATOM 1087 CB PRO A 71 12.423 -0.041 -8.755 1.00 0.00 C ATOM 1088 CG PRO A 71 11.088 -0.663 -8.533 1.00 0.00 C ATOM 1089 CD PRO A 71 10.597 -0.119 -7.222 1.00 0.00 C ATOM 0 HA PRO A 71 13.738 -0.639 -7.089 1.00 0.00 H new ATOM 0 HB2 PRO A 71 12.332 0.917 -9.268 1.00 0.00 H new ATOM 0 HB3 PRO A 71 13.056 -0.676 -9.375 1.00 0.00 H new ATOM 0 HG2 PRO A 71 10.401 -0.414 -9.342 1.00 0.00 H new ATOM 0 HG3 PRO A 71 11.163 -1.750 -8.502 1.00 0.00 H new ATOM 0 HD2 PRO A 71 10.027 0.800 -7.355 1.00 0.00 H new ATOM 0 HD3 PRO A 71 9.945 -0.827 -6.710 1.00 0.00 H new ATOM 1097 N LEU A 72 13.040 2.500 -6.906 1.00 0.00 N ATOM 1098 CA LEU A 72 13.614 3.823 -6.740 1.00 0.00 C ATOM 1099 C LEU A 72 14.259 3.943 -5.364 1.00 0.00 C ATOM 1100 O LEU A 72 13.586 3.804 -4.345 1.00 0.00 O ATOM 1101 CB LEU A 72 12.540 4.912 -6.906 1.00 0.00 C ATOM 1102 CG LEU A 72 11.969 5.096 -8.323 1.00 0.00 C ATOM 1103 CD1 LEU A 72 11.125 3.902 -8.749 1.00 0.00 C ATOM 1104 CD2 LEU A 72 11.144 6.372 -8.397 1.00 0.00 C ATOM 0 H LEU A 72 12.036 2.456 -6.731 1.00 0.00 H new ATOM 0 HA LEU A 72 14.373 3.964 -7.510 1.00 0.00 H new ATOM 0 HB2 LEU A 72 11.715 4.684 -6.231 1.00 0.00 H new ATOM 0 HB3 LEU A 72 12.964 5.863 -6.582 1.00 0.00 H new ATOM 0 HG LEU A 72 12.811 5.171 -9.011 1.00 0.00 H new ATOM 0 HD11 LEU A 72 10.739 4.069 -9.755 1.00 0.00 H new ATOM 0 HD12 LEU A 72 11.739 3.001 -8.741 1.00 0.00 H new ATOM 0 HD13 LEU A 72 10.292 3.780 -8.057 1.00 0.00 H new ATOM 0 HD21 LEU A 72 10.746 6.490 -9.405 1.00 0.00 H new ATOM 0 HD22 LEU A 72 10.320 6.314 -7.686 1.00 0.00 H new ATOM 0 HD23 LEU A 72 11.774 7.227 -8.153 1.00 0.00 H new ATOM 1116 N LYS A 73 15.577 4.145 -5.353 1.00 0.00 N ATOM 1117 CA LYS A 73 16.346 4.377 -4.123 1.00 0.00 C ATOM 1118 C LYS A 73 16.460 3.104 -3.269 1.00 0.00 C ATOM 1119 O LYS A 73 17.191 3.081 -2.276 1.00 0.00 O ATOM 1120 CB LYS A 73 15.724 5.534 -3.312 1.00 0.00 C ATOM 1121 CG LYS A 73 16.661 6.158 -2.281 1.00 0.00 C ATOM 1122 CD LYS A 73 16.353 5.700 -0.862 1.00 0.00 C ATOM 1123 CE LYS A 73 15.044 6.285 -0.345 1.00 0.00 C ATOM 1124 NZ LYS A 73 14.775 5.871 1.059 1.00 0.00 N ATOM 0 H LYS A 73 16.147 4.153 -6.199 1.00 0.00 H new ATOM 0 HA LYS A 73 17.359 4.658 -4.412 1.00 0.00 H new ATOM 0 HB2 LYS A 73 15.396 6.310 -4.003 1.00 0.00 H new ATOM 0 HB3 LYS A 73 14.835 5.166 -2.801 1.00 0.00 H new ATOM 0 HG2 LYS A 73 17.691 5.900 -2.527 1.00 0.00 H new ATOM 0 HG3 LYS A 73 16.583 7.244 -2.334 1.00 0.00 H new ATOM 0 HD2 LYS A 73 16.299 4.612 -0.836 1.00 0.00 H new ATOM 0 HD3 LYS A 73 17.168 5.995 -0.201 1.00 0.00 H new ATOM 0 HE2 LYS A 73 15.083 7.373 -0.403 1.00 0.00 H new ATOM 0 HE3 LYS A 73 14.223 5.961 -0.984 1.00 0.00 H new ATOM 0 HZ1 LYS A 73 13.781 6.065 1.294 1.00 0.00 H new ATOM 0 HZ2 LYS A 73 14.963 4.853 1.163 1.00 0.00 H new ATOM 0 HZ3 LYS A 73 15.393 6.405 1.703 1.00 0.00 H new ATOM 1138 N LYS A 74 15.751 2.044 -3.673 1.00 0.00 N ATOM 1139 CA LYS A 74 15.773 0.757 -2.968 1.00 0.00 C ATOM 1140 C LYS A 74 15.176 0.880 -1.566 1.00 0.00 C ATOM 1141 O LYS A 74 15.524 0.122 -0.658 1.00 0.00 O ATOM 1142 CB LYS A 74 17.200 0.203 -2.885 1.00 0.00 C ATOM 1143 CG LYS A 74 17.782 -0.212 -4.227 1.00 0.00 C ATOM 1144 CD LYS A 74 17.012 -1.372 -4.837 1.00 0.00 C ATOM 1145 CE LYS A 74 17.700 -1.894 -6.087 1.00 0.00 C ATOM 1146 NZ LYS A 74 17.743 -0.877 -7.172 1.00 0.00 N ATOM 0 H LYS A 74 15.148 2.054 -4.495 1.00 0.00 H new ATOM 0 HA LYS A 74 15.160 0.061 -3.541 1.00 0.00 H new ATOM 0 HB2 LYS A 74 17.846 0.958 -2.438 1.00 0.00 H new ATOM 0 HB3 LYS A 74 17.206 -0.658 -2.216 1.00 0.00 H new ATOM 0 HG2 LYS A 74 17.763 0.637 -4.910 1.00 0.00 H new ATOM 0 HG3 LYS A 74 18.827 -0.495 -4.099 1.00 0.00 H new ATOM 0 HD2 LYS A 74 16.922 -2.176 -4.106 1.00 0.00 H new ATOM 0 HD3 LYS A 74 16.000 -1.050 -5.084 1.00 0.00 H new ATOM 0 HE2 LYS A 74 18.716 -2.201 -5.839 1.00 0.00 H new ATOM 0 HE3 LYS A 74 17.177 -2.781 -6.444 1.00 0.00 H new ATOM 0 HZ1 LYS A 74 18.128 -1.308 -8.037 1.00 0.00 H new ATOM 0 HZ2 LYS A 74 16.781 -0.527 -7.358 1.00 0.00 H new ATOM 0 HZ3 LYS A 74 18.349 -0.084 -6.881 1.00 0.00 H new ATOM 1160 N GLN A 75 14.256 1.822 -1.412 1.00 0.00 N ATOM 1161 CA GLN A 75 13.608 2.069 -0.129 1.00 0.00 C ATOM 1162 C GLN A 75 12.641 0.940 0.226 1.00 0.00 C ATOM 1163 O GLN A 75 12.129 0.241 -0.653 1.00 0.00 O ATOM 1164 CB GLN A 75 12.894 3.422 -0.158 1.00 0.00 C ATOM 1165 CG GLN A 75 12.105 3.668 -1.433 1.00 0.00 C ATOM 1166 CD GLN A 75 11.660 5.110 -1.590 1.00 0.00 C ATOM 1167 OE1 GLN A 75 11.429 5.790 -0.477 1.00 0.00 O flip ATOM 1168 NE2 GLN A 75 11.539 5.609 -2.709 1.00 0.00 N flip ATOM 0 H GLN A 75 13.939 2.433 -2.165 1.00 0.00 H new ATOM 0 HA GLN A 75 14.372 2.097 0.648 1.00 0.00 H new ATOM 0 HB2 GLN A 75 12.218 3.485 0.695 1.00 0.00 H new ATOM 0 HB3 GLN A 75 13.632 4.215 -0.039 1.00 0.00 H new ATOM 0 HG2 GLN A 75 12.716 3.387 -2.291 1.00 0.00 H new ATOM 0 HG3 GLN A 75 11.228 3.021 -1.441 1.00 0.00 H new ATOM 0 HE21 GLN A 75 11.727 5.049 -3.540 1.00 0.00 H new ATOM 0 HE22 GLN A 75 11.251 6.583 -2.805 1.00 0.00 H new ATOM 1177 N ARG A 76 12.402 0.762 1.522 1.00 0.00 N ATOM 1178 CA ARG A 76 11.623 -0.370 2.012 1.00 0.00 C ATOM 1179 C ARG A 76 10.483 0.104 2.906 1.00 0.00 C ATOM 1180 O ARG A 76 10.716 0.749 3.932 1.00 0.00 O ATOM 1181 CB ARG A 76 12.520 -1.331 2.803 1.00 0.00 C ATOM 1182 CG ARG A 76 13.750 -1.805 2.043 1.00 0.00 C ATOM 1183 CD ARG A 76 13.379 -2.647 0.832 1.00 0.00 C ATOM 1184 NE ARG A 76 14.556 -3.019 0.051 1.00 0.00 N ATOM 1185 CZ ARG A 76 14.710 -4.191 -0.562 1.00 0.00 C ATOM 1186 NH1 ARG A 76 13.781 -5.133 -0.451 1.00 0.00 N ATOM 1187 NH2 ARG A 76 15.803 -4.427 -1.274 1.00 0.00 N ATOM 0 H ARG A 76 12.738 1.389 2.253 1.00 0.00 H new ATOM 0 HA ARG A 76 11.205 -0.889 1.149 1.00 0.00 H new ATOM 0 HB2 ARG A 76 12.841 -0.838 3.720 1.00 0.00 H new ATOM 0 HB3 ARG A 76 11.932 -2.200 3.097 1.00 0.00 H new ATOM 0 HG2 ARG A 76 14.332 -0.942 1.720 1.00 0.00 H new ATOM 0 HG3 ARG A 76 14.386 -2.388 2.709 1.00 0.00 H new ATOM 0 HD2 ARG A 76 12.861 -3.548 1.160 1.00 0.00 H new ATOM 0 HD3 ARG A 76 12.685 -2.092 0.202 1.00 0.00 H new ATOM 0 HE ARG A 76 15.309 -2.336 -0.030 1.00 0.00 H new ATOM 0 HH11 ARG A 76 12.944 -4.961 0.106 1.00 0.00 H new ATOM 0 HH12 ARG A 76 13.904 -6.029 -0.923 1.00 0.00 H new ATOM 0 HH21 ARG A 76 16.525 -3.711 -1.352 1.00 0.00 H new ATOM 0 HH22 ARG A 76 15.922 -5.325 -1.744 1.00 0.00 H new ATOM 1201 N PHE A 77 9.258 -0.227 2.517 1.00 0.00 N ATOM 1202 CA PHE A 77 8.079 0.150 3.288 1.00 0.00 C ATOM 1203 C PHE A 77 7.343 -1.094 3.768 1.00 0.00 C ATOM 1204 O PHE A 77 7.084 -2.006 2.983 1.00 0.00 O ATOM 1205 CB PHE A 77 7.123 0.999 2.439 1.00 0.00 C ATOM 1206 CG PHE A 77 7.728 2.258 1.888 1.00 0.00 C ATOM 1207 CD1 PHE A 77 8.513 2.227 0.747 1.00 0.00 C ATOM 1208 CD2 PHE A 77 7.502 3.474 2.507 1.00 0.00 C ATOM 1209 CE1 PHE A 77 9.063 3.386 0.239 1.00 0.00 C ATOM 1210 CE2 PHE A 77 8.048 4.637 2.002 1.00 0.00 C ATOM 1211 CZ PHE A 77 8.830 4.593 0.867 1.00 0.00 C ATOM 0 H PHE A 77 9.054 -0.757 1.670 1.00 0.00 H new ATOM 0 HA PHE A 77 8.412 0.734 4.146 1.00 0.00 H new ATOM 0 HB2 PHE A 77 6.759 0.393 1.609 1.00 0.00 H new ATOM 0 HB3 PHE A 77 6.256 1.263 3.045 1.00 0.00 H new ATOM 0 HD1 PHE A 77 8.696 1.286 0.250 1.00 0.00 H new ATOM 0 HD2 PHE A 77 6.891 3.514 3.396 1.00 0.00 H new ATOM 0 HE1 PHE A 77 9.676 3.349 -0.650 1.00 0.00 H new ATOM 0 HE2 PHE A 77 7.863 5.580 2.495 1.00 0.00 H new ATOM 0 HZ PHE A 77 9.259 5.501 0.470 1.00 0.00 H new ATOM 1221 N ARG A 78 7.010 -1.142 5.049 1.00 0.00 N ATOM 1222 CA ARG A 78 6.225 -2.247 5.573 1.00 0.00 C ATOM 1223 C ARG A 78 4.748 -1.895 5.493 1.00 0.00 C ATOM 1224 O ARG A 78 4.212 -1.202 6.355 1.00 0.00 O ATOM 1225 CB ARG A 78 6.626 -2.582 7.012 1.00 0.00 C ATOM 1226 CG ARG A 78 5.981 -3.857 7.535 1.00 0.00 C ATOM 1227 CD ARG A 78 6.587 -4.291 8.859 1.00 0.00 C ATOM 1228 NE ARG A 78 6.341 -3.323 9.924 1.00 0.00 N ATOM 1229 CZ ARG A 78 6.961 -3.337 11.101 1.00 0.00 C ATOM 1230 NH1 ARG A 78 7.897 -4.242 11.357 1.00 0.00 N ATOM 1231 NH2 ARG A 78 6.647 -2.438 12.025 1.00 0.00 N ATOM 0 H ARG A 78 7.268 -0.436 5.738 1.00 0.00 H new ATOM 0 HA ARG A 78 6.419 -3.133 4.969 1.00 0.00 H new ATOM 0 HB2 ARG A 78 7.710 -2.683 7.066 1.00 0.00 H new ATOM 0 HB3 ARG A 78 6.351 -1.751 7.661 1.00 0.00 H new ATOM 0 HG2 ARG A 78 4.910 -3.698 7.660 1.00 0.00 H new ATOM 0 HG3 ARG A 78 6.102 -4.654 6.801 1.00 0.00 H new ATOM 0 HD2 ARG A 78 6.173 -5.257 9.146 1.00 0.00 H new ATOM 0 HD3 ARG A 78 7.661 -4.428 8.737 1.00 0.00 H new ATOM 0 HE ARG A 78 5.651 -2.591 9.755 1.00 0.00 H new ATOM 0 HH11 ARG A 78 8.145 -4.933 10.649 1.00 0.00 H new ATOM 0 HH12 ARG A 78 8.368 -4.247 12.262 1.00 0.00 H new ATOM 0 HH21 ARG A 78 5.931 -1.737 11.832 1.00 0.00 H new ATOM 0 HH22 ARG A 78 7.121 -2.448 12.928 1.00 0.00 H new ATOM 1245 N LEU A 79 4.106 -2.373 4.438 1.00 0.00 N ATOM 1246 CA LEU A 79 2.723 -2.017 4.130 1.00 0.00 C ATOM 1247 C LEU A 79 1.737 -2.522 5.186 1.00 0.00 C ATOM 1248 O LEU A 79 0.588 -2.082 5.230 1.00 0.00 O ATOM 1249 CB LEU A 79 2.358 -2.556 2.738 1.00 0.00 C ATOM 1250 CG LEU A 79 2.912 -3.950 2.401 1.00 0.00 C ATOM 1251 CD1 LEU A 79 2.141 -5.048 3.120 1.00 0.00 C ATOM 1252 CD2 LEU A 79 2.890 -4.182 0.900 1.00 0.00 C ATOM 0 H LEU A 79 4.526 -3.019 3.769 1.00 0.00 H new ATOM 0 HA LEU A 79 2.647 -0.930 4.136 1.00 0.00 H new ATOM 0 HB2 LEU A 79 1.272 -2.586 2.653 1.00 0.00 H new ATOM 0 HB3 LEU A 79 2.718 -1.851 1.989 1.00 0.00 H new ATOM 0 HG LEU A 79 3.944 -3.988 2.748 1.00 0.00 H new ATOM 0 HD11 LEU A 79 2.561 -6.019 2.858 1.00 0.00 H new ATOM 0 HD12 LEU A 79 2.216 -4.899 4.197 1.00 0.00 H new ATOM 0 HD13 LEU A 79 1.093 -5.013 2.821 1.00 0.00 H new ATOM 0 HD21 LEU A 79 3.286 -5.173 0.679 1.00 0.00 H new ATOM 0 HD22 LEU A 79 1.865 -4.111 0.536 1.00 0.00 H new ATOM 0 HD23 LEU A 79 3.504 -3.428 0.406 1.00 0.00 H new ATOM 1264 N SER A 80 2.192 -3.431 6.036 1.00 0.00 N ATOM 1265 CA SER A 80 1.339 -4.018 7.057 1.00 0.00 C ATOM 1266 C SER A 80 0.919 -2.981 8.103 1.00 0.00 C ATOM 1267 O SER A 80 -0.256 -2.886 8.455 1.00 0.00 O ATOM 1268 CB SER A 80 2.065 -5.180 7.729 1.00 0.00 C ATOM 1269 OG SER A 80 2.569 -6.087 6.761 1.00 0.00 O ATOM 0 H SER A 80 3.151 -3.779 6.038 1.00 0.00 H new ATOM 0 HA SER A 80 0.434 -4.385 6.573 1.00 0.00 H new ATOM 0 HB2 SER A 80 2.885 -4.799 8.338 1.00 0.00 H new ATOM 0 HB3 SER A 80 1.383 -5.701 8.401 1.00 0.00 H new ATOM 0 HG SER A 80 3.032 -6.823 7.212 1.00 0.00 H new ATOM 1275 N ASP A 81 1.877 -2.202 8.590 1.00 0.00 N ATOM 1276 CA ASP A 81 1.596 -1.212 9.627 1.00 0.00 C ATOM 1277 C ASP A 81 1.875 0.202 9.127 1.00 0.00 C ATOM 1278 O ASP A 81 1.230 1.158 9.559 1.00 0.00 O ATOM 1279 CB ASP A 81 2.417 -1.499 10.894 1.00 0.00 C ATOM 1280 CG ASP A 81 3.901 -1.235 10.724 1.00 0.00 C ATOM 1281 OD1 ASP A 81 4.441 -1.507 9.630 1.00 0.00 O ATOM 1282 OD2 ASP A 81 4.544 -0.779 11.695 1.00 0.00 O ATOM 0 H ASP A 81 2.850 -2.234 8.287 1.00 0.00 H new ATOM 0 HA ASP A 81 0.537 -1.285 9.875 1.00 0.00 H new ATOM 0 HB2 ASP A 81 2.038 -0.885 11.711 1.00 0.00 H new ATOM 0 HB3 ASP A 81 2.272 -2.540 11.184 1.00 0.00 H new ATOM 1287 N GLY A 82 2.826 0.331 8.213 1.00 0.00 N ATOM 1288 CA GLY A 82 3.154 1.627 7.660 1.00 0.00 C ATOM 1289 C GLY A 82 4.575 2.050 7.975 1.00 0.00 C ATOM 1290 O GLY A 82 5.018 3.116 7.542 1.00 0.00 O ATOM 0 H GLY A 82 3.378 -0.443 7.844 1.00 0.00 H new ATOM 0 HA2 GLY A 82 3.017 1.602 6.579 1.00 0.00 H new ATOM 0 HA3 GLY A 82 2.461 2.372 8.052 1.00 0.00 H new ATOM 1294 N LEU A 83 5.295 1.217 8.720 1.00 0.00 N ATOM 1295 CA LEU A 83 6.663 1.536 9.106 1.00 0.00 C ATOM 1296 C LEU A 83 7.587 1.527 7.898 1.00 0.00 C ATOM 1297 O LEU A 83 7.522 0.633 7.052 1.00 0.00 O ATOM 1298 CB LEU A 83 7.194 0.541 10.140 1.00 0.00 C ATOM 1299 CG LEU A 83 8.658 0.763 10.539 1.00 0.00 C ATOM 1300 CD1 LEU A 83 8.801 1.983 11.435 1.00 0.00 C ATOM 1301 CD2 LEU A 83 9.235 -0.472 11.209 1.00 0.00 C ATOM 0 H LEU A 83 4.955 0.320 9.067 1.00 0.00 H new ATOM 0 HA LEU A 83 6.645 2.534 9.543 1.00 0.00 H new ATOM 0 HB2 LEU A 83 6.574 0.599 11.034 1.00 0.00 H new ATOM 0 HB3 LEU A 83 7.087 -0.469 9.743 1.00 0.00 H new ATOM 0 HG LEU A 83 9.227 0.947 9.628 1.00 0.00 H new ATOM 0 HD11 LEU A 83 9.849 2.117 11.703 1.00 0.00 H new ATOM 0 HD12 LEU A 83 8.446 2.867 10.905 1.00 0.00 H new ATOM 0 HD13 LEU A 83 8.211 1.841 12.340 1.00 0.00 H new ATOM 0 HD21 LEU A 83 10.274 -0.286 11.481 1.00 0.00 H new ATOM 0 HD22 LEU A 83 8.660 -0.701 12.106 1.00 0.00 H new ATOM 0 HD23 LEU A 83 9.185 -1.316 10.521 1.00 0.00 H new ATOM 1313 N CYS A 84 8.438 2.527 7.822 1.00 0.00 N ATOM 1314 CA CYS A 84 9.465 2.570 6.804 1.00 0.00 C ATOM 1315 C CYS A 84 10.824 2.374 7.464 1.00 0.00 C ATOM 1316 O CYS A 84 11.078 2.923 8.532 1.00 0.00 O ATOM 1317 CB CYS A 84 9.389 3.900 6.065 1.00 0.00 C ATOM 1318 SG CYS A 84 7.707 4.341 5.572 1.00 0.00 S ATOM 0 H CYS A 84 8.439 3.325 8.457 1.00 0.00 H new ATOM 0 HA CYS A 84 9.317 1.772 6.076 1.00 0.00 H new ATOM 0 HB2 CYS A 84 9.793 4.687 6.702 1.00 0.00 H new ATOM 0 HB3 CYS A 84 10.021 3.853 5.178 1.00 0.00 H new ATOM 0 HG CYS A 84 7.676 4.572 4.293 1.00 0.00 H new ATOM 1324 N MET A 85 11.682 1.572 6.850 1.00 0.00 N ATOM 1325 CA MET A 85 12.944 1.198 7.480 1.00 0.00 C ATOM 1326 C MET A 85 13.958 2.338 7.434 1.00 0.00 C ATOM 1327 O MET A 85 14.381 2.846 8.471 1.00 0.00 O ATOM 1328 CB MET A 85 13.523 -0.048 6.814 1.00 0.00 C ATOM 1329 CG MET A 85 14.595 -0.729 7.644 1.00 0.00 C ATOM 1330 SD MET A 85 15.140 -2.287 6.923 1.00 0.00 S ATOM 1331 CE MET A 85 16.144 -2.923 8.263 1.00 0.00 C ATOM 0 H MET A 85 11.531 1.170 5.925 1.00 0.00 H new ATOM 0 HA MET A 85 12.736 0.980 8.527 1.00 0.00 H new ATOM 0 HB2 MET A 85 12.717 -0.756 6.622 1.00 0.00 H new ATOM 0 HB3 MET A 85 13.943 0.227 5.846 1.00 0.00 H new ATOM 0 HG2 MET A 85 15.450 -0.061 7.746 1.00 0.00 H new ATOM 0 HG3 MET A 85 14.211 -0.911 8.648 1.00 0.00 H new ATOM 0 HE1 MET A 85 16.853 -3.652 7.872 1.00 0.00 H new ATOM 0 HE2 MET A 85 16.688 -2.103 8.731 1.00 0.00 H new ATOM 0 HE3 MET A 85 15.502 -3.402 9.003 1.00 0.00 H new ATOM 1341 N GLU A 86 14.345 2.735 6.231 1.00 0.00 N ATOM 1342 CA GLU A 86 15.314 3.813 6.058 1.00 0.00 C ATOM 1343 C GLU A 86 14.601 5.160 6.096 1.00 0.00 C ATOM 1344 O GLU A 86 15.142 6.163 6.560 1.00 0.00 O ATOM 1345 CB GLU A 86 16.040 3.653 4.724 1.00 0.00 C ATOM 1346 CG GLU A 86 17.167 4.650 4.526 1.00 0.00 C ATOM 1347 CD GLU A 86 17.398 4.973 3.068 1.00 0.00 C ATOM 1348 OE1 GLU A 86 18.036 4.166 2.366 1.00 0.00 O ATOM 1349 OE2 GLU A 86 16.919 6.037 2.616 1.00 0.00 O ATOM 0 H GLU A 86 14.005 2.329 5.359 1.00 0.00 H new ATOM 0 HA GLU A 86 16.042 3.768 6.868 1.00 0.00 H new ATOM 0 HB2 GLU A 86 16.443 2.643 4.658 1.00 0.00 H new ATOM 0 HB3 GLU A 86 15.321 3.763 3.912 1.00 0.00 H new ATOM 0 HG2 GLU A 86 16.936 5.568 5.067 1.00 0.00 H new ATOM 0 HG3 GLU A 86 18.084 4.248 4.957 1.00 0.00 H new ATOM 1356 N ASP A 87 13.372 5.146 5.612 1.00 0.00 N ATOM 1357 CA ASP A 87 12.529 6.335 5.526 1.00 0.00 C ATOM 1358 C ASP A 87 11.842 6.583 6.865 1.00 0.00 C ATOM 1359 O ASP A 87 10.938 7.411 6.975 1.00 0.00 O ATOM 1360 CB ASP A 87 11.492 6.142 4.418 1.00 0.00 C ATOM 1361 CG ASP A 87 12.077 5.406 3.220 1.00 0.00 C ATOM 1362 OD1 ASP A 87 12.172 4.155 3.274 1.00 0.00 O ATOM 1363 OD2 ASP A 87 12.485 6.068 2.244 1.00 0.00 O ATOM 0 H ASP A 87 12.922 4.300 5.262 1.00 0.00 H new ATOM 0 HA ASP A 87 13.144 7.203 5.289 1.00 0.00 H new ATOM 0 HB2 ASP A 87 10.642 5.583 4.809 1.00 0.00 H new ATOM 0 HB3 ASP A 87 11.115 7.114 4.099 1.00 0.00 H new ATOM 1368 N GLU A 88 12.299 5.830 7.867 1.00 0.00 N ATOM 1369 CA GLU A 88 11.765 5.830 9.234 1.00 0.00 C ATOM 1370 C GLU A 88 11.458 7.234 9.768 1.00 0.00 C ATOM 1371 O GLU A 88 10.546 7.406 10.578 1.00 0.00 O ATOM 1372 CB GLU A 88 12.793 5.155 10.141 1.00 0.00 C ATOM 1373 CG GLU A 88 12.381 5.037 11.595 1.00 0.00 C ATOM 1374 CD GLU A 88 13.558 4.696 12.478 1.00 0.00 C ATOM 1375 OE1 GLU A 88 14.224 5.637 12.961 1.00 0.00 O ATOM 1376 OE2 GLU A 88 13.845 3.497 12.662 1.00 0.00 O ATOM 0 H GLU A 88 13.077 5.181 7.747 1.00 0.00 H new ATOM 0 HA GLU A 88 10.817 5.293 9.222 1.00 0.00 H new ATOM 0 HB2 GLU A 88 12.997 4.157 9.754 1.00 0.00 H new ATOM 0 HB3 GLU A 88 13.727 5.715 10.087 1.00 0.00 H new ATOM 0 HG2 GLU A 88 11.937 5.976 11.926 1.00 0.00 H new ATOM 0 HG3 GLU A 88 11.614 4.269 11.696 1.00 0.00 H new ATOM 1383 N GLN A 89 12.228 8.224 9.322 1.00 0.00 N ATOM 1384 CA GLN A 89 12.049 9.607 9.761 1.00 0.00 C ATOM 1385 C GLN A 89 10.608 10.070 9.554 1.00 0.00 C ATOM 1386 O GLN A 89 10.054 10.786 10.388 1.00 0.00 O ATOM 1387 CB GLN A 89 13.000 10.546 9.007 1.00 0.00 C ATOM 1388 CG GLN A 89 14.451 10.499 9.478 1.00 0.00 C ATOM 1389 CD GLN A 89 15.108 9.143 9.288 1.00 0.00 C ATOM 1390 OE1 GLN A 89 15.665 8.853 8.232 1.00 0.00 O ATOM 1391 NE2 GLN A 89 15.057 8.312 10.314 1.00 0.00 N ATOM 0 H GLN A 89 12.987 8.093 8.653 1.00 0.00 H new ATOM 0 HA GLN A 89 12.280 9.643 10.826 1.00 0.00 H new ATOM 0 HB2 GLN A 89 12.969 10.297 7.946 1.00 0.00 H new ATOM 0 HB3 GLN A 89 12.633 11.568 9.106 1.00 0.00 H new ATOM 0 HG2 GLN A 89 15.025 11.251 8.936 1.00 0.00 H new ATOM 0 HG3 GLN A 89 14.491 10.768 10.534 1.00 0.00 H new ATOM 0 HE21 GLN A 89 14.584 8.591 11.174 1.00 0.00 H new ATOM 0 HE22 GLN A 89 15.490 7.391 10.246 1.00 0.00 H new ATOM 1400 N PHE A 90 9.999 9.628 8.459 1.00 0.00 N ATOM 1401 CA PHE A 90 8.658 10.046 8.093 1.00 0.00 C ATOM 1402 C PHE A 90 7.953 8.936 7.334 1.00 0.00 C ATOM 1403 O PHE A 90 7.748 9.025 6.123 1.00 0.00 O ATOM 1404 CB PHE A 90 8.680 11.329 7.255 1.00 0.00 C ATOM 1405 CG PHE A 90 8.696 12.590 8.072 1.00 0.00 C ATOM 1406 CD1 PHE A 90 7.511 13.149 8.519 1.00 0.00 C ATOM 1407 CD2 PHE A 90 9.891 13.215 8.395 1.00 0.00 C ATOM 1408 CE1 PHE A 90 7.513 14.307 9.271 1.00 0.00 C ATOM 1409 CE2 PHE A 90 9.899 14.375 9.148 1.00 0.00 C ATOM 1410 CZ PHE A 90 8.708 14.921 9.586 1.00 0.00 C ATOM 0 H PHE A 90 10.423 8.971 7.804 1.00 0.00 H new ATOM 0 HA PHE A 90 8.110 10.256 9.012 1.00 0.00 H new ATOM 0 HB2 PHE A 90 9.558 11.315 6.610 1.00 0.00 H new ATOM 0 HB3 PHE A 90 7.806 11.341 6.604 1.00 0.00 H new ATOM 0 HD1 PHE A 90 6.572 12.673 8.276 1.00 0.00 H new ATOM 0 HD2 PHE A 90 10.825 12.792 8.055 1.00 0.00 H new ATOM 0 HE1 PHE A 90 6.580 14.732 9.612 1.00 0.00 H new ATOM 0 HE2 PHE A 90 10.836 14.854 9.393 1.00 0.00 H new ATOM 0 HZ PHE A 90 8.712 15.827 10.174 1.00 0.00 H new ATOM 1420 N SER A 91 7.643 7.871 8.058 1.00 0.00 N ATOM 1421 CA SER A 91 6.868 6.762 7.530 1.00 0.00 C ATOM 1422 C SER A 91 5.562 7.247 6.884 1.00 0.00 C ATOM 1423 O SER A 91 5.051 8.321 7.217 1.00 0.00 O ATOM 1424 CB SER A 91 6.582 5.777 8.662 1.00 0.00 C ATOM 1425 OG SER A 91 7.789 5.260 9.206 1.00 0.00 O ATOM 0 H SER A 91 7.924 7.753 9.031 1.00 0.00 H new ATOM 0 HA SER A 91 7.444 6.266 6.749 1.00 0.00 H new ATOM 0 HB2 SER A 91 6.010 6.274 9.445 1.00 0.00 H new ATOM 0 HB3 SER A 91 5.967 4.958 8.289 1.00 0.00 H new ATOM 0 HG SER A 91 7.580 4.633 9.930 1.00 0.00 H new ATOM 1431 N VAL A 92 5.011 6.438 5.988 1.00 0.00 N ATOM 1432 CA VAL A 92 3.904 6.871 5.140 1.00 0.00 C ATOM 1433 C VAL A 92 2.545 6.588 5.769 1.00 0.00 C ATOM 1434 O VAL A 92 2.438 5.852 6.752 1.00 0.00 O ATOM 1435 CB VAL A 92 3.964 6.201 3.751 1.00 0.00 C ATOM 1436 CG1 VAL A 92 5.219 6.620 3.004 1.00 0.00 C ATOM 1437 CG2 VAL A 92 3.904 4.683 3.878 1.00 0.00 C ATOM 0 H VAL A 92 5.312 5.477 5.828 1.00 0.00 H new ATOM 0 HA VAL A 92 4.015 7.950 5.030 1.00 0.00 H new ATOM 0 HB VAL A 92 3.096 6.533 3.181 1.00 0.00 H new ATOM 0 HG11 VAL A 92 5.240 6.136 2.028 1.00 0.00 H new ATOM 0 HG12 VAL A 92 5.220 7.702 2.872 1.00 0.00 H new ATOM 0 HG13 VAL A 92 6.099 6.323 3.575 1.00 0.00 H new ATOM 0 HG21 VAL A 92 3.948 4.233 2.886 1.00 0.00 H new ATOM 0 HG22 VAL A 92 4.748 4.334 4.473 1.00 0.00 H new ATOM 0 HG23 VAL A 92 2.973 4.395 4.366 1.00 0.00 H new ATOM 1447 N LYS A 93 1.510 7.177 5.180 1.00 0.00 N ATOM 1448 CA LYS A 93 0.152 7.062 5.694 1.00 0.00 C ATOM 1449 C LYS A 93 -0.433 5.695 5.364 1.00 0.00 C ATOM 1450 O LYS A 93 -0.597 5.346 4.196 1.00 0.00 O ATOM 1451 CB LYS A 93 -0.738 8.158 5.096 1.00 0.00 C ATOM 1452 CG LYS A 93 -0.225 9.570 5.338 1.00 0.00 C ATOM 1453 CD LYS A 93 -1.088 10.615 4.643 1.00 0.00 C ATOM 1454 CE LYS A 93 -2.530 10.570 5.126 1.00 0.00 C ATOM 1455 NZ LYS A 93 -3.389 11.559 4.423 1.00 0.00 N ATOM 0 H LYS A 93 1.589 7.745 4.336 1.00 0.00 H new ATOM 0 HA LYS A 93 0.188 7.179 6.777 1.00 0.00 H new ATOM 0 HB2 LYS A 93 -0.828 7.994 4.022 1.00 0.00 H new ATOM 0 HB3 LYS A 93 -1.740 8.069 5.517 1.00 0.00 H new ATOM 0 HG2 LYS A 93 -0.205 9.770 6.409 1.00 0.00 H new ATOM 0 HG3 LYS A 93 0.801 9.650 4.979 1.00 0.00 H new ATOM 0 HD2 LYS A 93 -0.675 11.607 4.825 1.00 0.00 H new ATOM 0 HD3 LYS A 93 -1.060 10.451 3.566 1.00 0.00 H new ATOM 0 HE2 LYS A 93 -2.932 9.568 4.972 1.00 0.00 H new ATOM 0 HE3 LYS A 93 -2.558 10.764 6.198 1.00 0.00 H new ATOM 0 HZ1 LYS A 93 -4.375 11.229 4.430 1.00 0.00 H new ATOM 0 HZ2 LYS A 93 -3.327 12.478 4.906 1.00 0.00 H new ATOM 0 HZ3 LYS A 93 -3.066 11.663 3.440 1.00 0.00 H new ATOM 1469 N HIS A 94 -0.739 4.926 6.396 1.00 0.00 N ATOM 1470 CA HIS A 94 -1.354 3.620 6.218 1.00 0.00 C ATOM 1471 C HIS A 94 -2.865 3.719 6.392 1.00 0.00 C ATOM 1472 O HIS A 94 -3.360 4.038 7.471 1.00 0.00 O ATOM 1473 CB HIS A 94 -0.753 2.605 7.201 1.00 0.00 C ATOM 1474 CG HIS A 94 -1.473 1.286 7.256 1.00 0.00 C ATOM 1475 ND1 HIS A 94 -1.972 0.634 6.145 1.00 0.00 N ATOM 1476 CD2 HIS A 94 -1.792 0.509 8.316 1.00 0.00 C ATOM 1477 CE1 HIS A 94 -2.568 -0.483 6.526 1.00 0.00 C ATOM 1478 NE2 HIS A 94 -2.469 -0.580 7.836 1.00 0.00 N ATOM 0 H HIS A 94 -0.571 5.184 7.368 1.00 0.00 H new ATOM 0 HA HIS A 94 -1.150 3.271 5.206 1.00 0.00 H new ATOM 0 HB2 HIS A 94 0.287 2.425 6.927 1.00 0.00 H new ATOM 0 HB3 HIS A 94 -0.749 3.044 8.199 1.00 0.00 H new ATOM 0 HD1 HIS A 94 -1.893 0.963 5.183 1.00 0.00 H new ATOM 0 HD2 HIS A 94 -1.556 0.710 9.351 1.00 0.00 H new ATOM 0 HE1 HIS A 94 -3.053 -1.195 5.874 1.00 0.00 H new ATOM 1487 N TYR A 95 -3.580 3.456 5.313 1.00 0.00 N ATOM 1488 CA TYR A 95 -5.033 3.492 5.315 1.00 0.00 C ATOM 1489 C TYR A 95 -5.577 2.075 5.439 1.00 0.00 C ATOM 1490 O TYR A 95 -4.917 1.117 5.027 1.00 0.00 O ATOM 1491 CB TYR A 95 -5.554 4.129 4.021 1.00 0.00 C ATOM 1492 CG TYR A 95 -4.839 5.405 3.628 1.00 0.00 C ATOM 1493 CD1 TYR A 95 -5.256 6.639 4.109 1.00 0.00 C ATOM 1494 CD2 TYR A 95 -3.752 5.372 2.763 1.00 0.00 C ATOM 1495 CE1 TYR A 95 -4.607 7.805 3.739 1.00 0.00 C ATOM 1496 CE2 TYR A 95 -3.099 6.531 2.391 1.00 0.00 C ATOM 1497 CZ TYR A 95 -3.531 7.742 2.879 1.00 0.00 C ATOM 1498 OH TYR A 95 -2.886 8.897 2.500 1.00 0.00 O ATOM 0 H TYR A 95 -3.171 3.212 4.411 1.00 0.00 H new ATOM 0 HA TYR A 95 -5.369 4.091 6.162 1.00 0.00 H new ATOM 0 HB2 TYR A 95 -5.459 3.407 3.210 1.00 0.00 H new ATOM 0 HB3 TYR A 95 -6.617 4.341 4.136 1.00 0.00 H new ATOM 0 HD1 TYR A 95 -6.099 6.690 4.782 1.00 0.00 H new ATOM 0 HD2 TYR A 95 -3.412 4.423 2.375 1.00 0.00 H new ATOM 0 HE1 TYR A 95 -4.942 8.758 4.122 1.00 0.00 H new ATOM 0 HE2 TYR A 95 -2.254 6.486 1.720 1.00 0.00 H new ATOM 0 HH TYR A 95 -2.150 8.676 1.892 1.00 0.00 H new ATOM 1508 N GLU A 96 -6.768 1.941 6.000 1.00 0.00 N ATOM 1509 CA GLU A 96 -7.381 0.631 6.163 1.00 0.00 C ATOM 1510 C GLU A 96 -7.966 0.146 4.845 1.00 0.00 C ATOM 1511 O GLU A 96 -8.682 0.882 4.166 1.00 0.00 O ATOM 1512 CB GLU A 96 -8.473 0.671 7.229 1.00 0.00 C ATOM 1513 CG GLU A 96 -7.956 0.955 8.627 1.00 0.00 C ATOM 1514 CD GLU A 96 -9.056 0.892 9.664 1.00 0.00 C ATOM 1515 OE1 GLU A 96 -9.702 1.927 9.914 1.00 0.00 O ATOM 1516 OE2 GLU A 96 -9.293 -0.200 10.225 1.00 0.00 O ATOM 0 H GLU A 96 -7.328 2.719 6.349 1.00 0.00 H new ATOM 0 HA GLU A 96 -6.605 -0.064 6.483 1.00 0.00 H new ATOM 0 HB2 GLU A 96 -9.202 1.435 6.960 1.00 0.00 H new ATOM 0 HB3 GLU A 96 -8.998 -0.284 7.233 1.00 0.00 H new ATOM 0 HG2 GLU A 96 -7.179 0.234 8.879 1.00 0.00 H new ATOM 0 HG3 GLU A 96 -7.494 1.942 8.649 1.00 0.00 H new ATOM 1523 N ALA A 97 -7.654 -1.091 4.491 1.00 0.00 N ATOM 1524 CA ALA A 97 -8.156 -1.687 3.265 1.00 0.00 C ATOM 1525 C ALA A 97 -8.765 -3.051 3.552 1.00 0.00 C ATOM 1526 O ALA A 97 -8.258 -3.799 4.388 1.00 0.00 O ATOM 1527 CB ALA A 97 -7.036 -1.811 2.244 1.00 0.00 C ATOM 0 H ALA A 97 -7.052 -1.704 5.040 1.00 0.00 H new ATOM 0 HA ALA A 97 -8.932 -1.041 2.854 1.00 0.00 H new ATOM 0 HB1 ALA A 97 -7.425 -2.259 1.330 1.00 0.00 H new ATOM 0 HB2 ALA A 97 -6.635 -0.822 2.021 1.00 0.00 H new ATOM 0 HB3 ALA A 97 -6.244 -2.441 2.648 1.00 0.00 H new ATOM 1533 N ARG A 98 -9.861 -3.366 2.881 1.00 0.00 N ATOM 1534 CA ARG A 98 -10.506 -4.661 3.051 1.00 0.00 C ATOM 1535 C ARG A 98 -11.201 -5.080 1.766 1.00 0.00 C ATOM 1536 O ARG A 98 -11.496 -4.245 0.909 1.00 0.00 O ATOM 1537 CB ARG A 98 -11.530 -4.615 4.192 1.00 0.00 C ATOM 1538 CG ARG A 98 -12.769 -3.793 3.870 1.00 0.00 C ATOM 1539 CD ARG A 98 -13.802 -3.883 4.978 1.00 0.00 C ATOM 1540 NE ARG A 98 -15.044 -3.196 4.628 1.00 0.00 N ATOM 1541 CZ ARG A 98 -16.120 -3.160 5.410 1.00 0.00 C ATOM 1542 NH1 ARG A 98 -16.110 -3.774 6.586 1.00 0.00 N ATOM 1543 NH2 ARG A 98 -17.208 -2.512 5.008 1.00 0.00 N ATOM 0 H ARG A 98 -10.323 -2.746 2.215 1.00 0.00 H new ATOM 0 HA ARG A 98 -9.734 -5.389 3.298 1.00 0.00 H new ATOM 0 HB2 ARG A 98 -11.834 -5.633 4.437 1.00 0.00 H new ATOM 0 HB3 ARG A 98 -11.052 -4.203 5.081 1.00 0.00 H new ATOM 0 HG2 ARG A 98 -12.486 -2.751 3.719 1.00 0.00 H new ATOM 0 HG3 ARG A 98 -13.206 -4.143 2.935 1.00 0.00 H new ATOM 0 HD2 ARG A 98 -14.015 -4.931 5.190 1.00 0.00 H new ATOM 0 HD3 ARG A 98 -13.393 -3.449 5.891 1.00 0.00 H new ATOM 0 HE ARG A 98 -15.088 -2.715 3.730 1.00 0.00 H new ATOM 0 HH11 ARG A 98 -15.276 -4.275 6.893 1.00 0.00 H new ATOM 0 HH12 ARG A 98 -16.936 -3.745 7.184 1.00 0.00 H new ATOM 0 HH21 ARG A 98 -17.217 -2.044 4.102 1.00 0.00 H new ATOM 0 HH22 ARG A 98 -18.034 -2.483 5.605 1.00 0.00 H new ATOM 1557 N VAL A 99 -11.454 -6.371 1.636 1.00 0.00 N ATOM 1558 CA VAL A 99 -12.205 -6.888 0.511 1.00 0.00 C ATOM 1559 C VAL A 99 -13.631 -7.201 0.947 1.00 0.00 C ATOM 1560 O VAL A 99 -13.861 -8.109 1.744 1.00 0.00 O ATOM 1561 CB VAL A 99 -11.544 -8.155 -0.073 1.00 0.00 C ATOM 1562 CG1 VAL A 99 -12.327 -8.676 -1.265 1.00 0.00 C ATOM 1563 CG2 VAL A 99 -10.103 -7.873 -0.468 1.00 0.00 C ATOM 0 H VAL A 99 -11.147 -7.081 2.301 1.00 0.00 H new ATOM 0 HA VAL A 99 -12.217 -6.126 -0.269 1.00 0.00 H new ATOM 0 HB VAL A 99 -11.548 -8.924 0.700 1.00 0.00 H new ATOM 0 HG11 VAL A 99 -11.840 -9.569 -1.658 1.00 0.00 H new ATOM 0 HG12 VAL A 99 -13.342 -8.923 -0.954 1.00 0.00 H new ATOM 0 HG13 VAL A 99 -12.361 -7.911 -2.040 1.00 0.00 H new ATOM 0 HG21 VAL A 99 -9.654 -8.778 -0.877 1.00 0.00 H new ATOM 0 HG22 VAL A 99 -10.080 -7.084 -1.220 1.00 0.00 H new ATOM 0 HG23 VAL A 99 -9.541 -7.554 0.410 1.00 0.00 H new ATOM 1573 N LYS A 100 -14.577 -6.426 0.445 1.00 0.00 N ATOM 1574 CA LYS A 100 -15.981 -6.591 0.787 1.00 0.00 C ATOM 1575 C LYS A 100 -16.757 -7.104 -0.411 1.00 0.00 C ATOM 1576 O LYS A 100 -16.877 -6.404 -1.414 1.00 0.00 O ATOM 1577 CB LYS A 100 -16.574 -5.259 1.226 1.00 0.00 C ATOM 1578 CG LYS A 100 -18.021 -5.359 1.677 1.00 0.00 C ATOM 1579 CD LYS A 100 -18.654 -3.992 1.834 1.00 0.00 C ATOM 1580 CE LYS A 100 -20.126 -4.091 2.186 1.00 0.00 C ATOM 1581 NZ LYS A 100 -20.897 -4.834 1.153 1.00 0.00 N ATOM 0 H LYS A 100 -14.395 -5.666 -0.210 1.00 0.00 H new ATOM 0 HA LYS A 100 -16.052 -7.311 1.603 1.00 0.00 H new ATOM 0 HB2 LYS A 100 -15.975 -4.855 2.042 1.00 0.00 H new ATOM 0 HB3 LYS A 100 -16.507 -4.551 0.400 1.00 0.00 H new ATOM 0 HG2 LYS A 100 -18.589 -5.942 0.952 1.00 0.00 H new ATOM 0 HG3 LYS A 100 -18.071 -5.894 2.625 1.00 0.00 H new ATOM 0 HD2 LYS A 100 -18.131 -3.436 2.612 1.00 0.00 H new ATOM 0 HD3 LYS A 100 -18.539 -3.429 0.908 1.00 0.00 H new ATOM 0 HE2 LYS A 100 -20.236 -4.590 3.149 1.00 0.00 H new ATOM 0 HE3 LYS A 100 -20.540 -3.089 2.297 1.00 0.00 H new ATOM 0 HZ1 LYS A 100 -21.914 -4.749 1.351 1.00 0.00 H new ATOM 0 HZ2 LYS A 100 -20.693 -4.436 0.214 1.00 0.00 H new ATOM 0 HZ3 LYS A 100 -20.624 -5.837 1.171 1.00 0.00 H new ATOM 1595 N ASP A 101 -17.263 -8.328 -0.311 1.00 0.00 N ATOM 1596 CA ASP A 101 -18.044 -8.940 -1.387 1.00 0.00 C ATOM 1597 C ASP A 101 -17.184 -9.102 -2.636 1.00 0.00 C ATOM 1598 O ASP A 101 -17.695 -9.304 -3.740 1.00 0.00 O ATOM 1599 CB ASP A 101 -19.291 -8.099 -1.714 1.00 0.00 C ATOM 1600 CG ASP A 101 -20.318 -8.077 -0.594 1.00 0.00 C ATOM 1601 OD1 ASP A 101 -20.107 -7.365 0.413 1.00 0.00 O ATOM 1602 OD2 ASP A 101 -21.360 -8.752 -0.728 1.00 0.00 O ATOM 0 H ASP A 101 -17.147 -8.922 0.510 1.00 0.00 H new ATOM 0 HA ASP A 101 -18.373 -9.922 -1.048 1.00 0.00 H new ATOM 0 HB2 ASP A 101 -18.983 -7.077 -1.934 1.00 0.00 H new ATOM 0 HB3 ASP A 101 -19.758 -8.492 -2.617 1.00 0.00 H new ATOM 1607 N GLY A 102 -15.873 -9.036 -2.448 1.00 0.00 N ATOM 1608 CA GLY A 102 -14.953 -9.096 -3.565 1.00 0.00 C ATOM 1609 C GLY A 102 -14.477 -7.720 -3.998 1.00 0.00 C ATOM 1610 O GLY A 102 -13.660 -7.603 -4.912 1.00 0.00 O ATOM 0 H GLY A 102 -15.428 -8.941 -1.535 1.00 0.00 H new ATOM 0 HA2 GLY A 102 -14.092 -9.706 -3.291 1.00 0.00 H new ATOM 0 HA3 GLY A 102 -15.439 -9.591 -4.406 1.00 0.00 H new ATOM 1614 N VAL A 103 -14.972 -6.680 -3.332 1.00 0.00 N ATOM 1615 CA VAL A 103 -14.657 -5.306 -3.703 1.00 0.00 C ATOM 1616 C VAL A 103 -13.730 -4.668 -2.668 1.00 0.00 C ATOM 1617 O VAL A 103 -14.010 -4.696 -1.472 1.00 0.00 O ATOM 1618 CB VAL A 103 -15.944 -4.455 -3.826 1.00 0.00 C ATOM 1619 CG1 VAL A 103 -15.626 -3.047 -4.302 1.00 0.00 C ATOM 1620 CG2 VAL A 103 -16.941 -5.119 -4.764 1.00 0.00 C ATOM 0 H VAL A 103 -15.596 -6.765 -2.529 1.00 0.00 H new ATOM 0 HA VAL A 103 -14.156 -5.334 -4.671 1.00 0.00 H new ATOM 0 HB VAL A 103 -16.393 -4.385 -2.835 1.00 0.00 H new ATOM 0 HG11 VAL A 103 -16.549 -2.472 -4.379 1.00 0.00 H new ATOM 0 HG12 VAL A 103 -14.956 -2.565 -3.590 1.00 0.00 H new ATOM 0 HG13 VAL A 103 -15.144 -3.093 -5.279 1.00 0.00 H new ATOM 0 HG21 VAL A 103 -17.838 -4.504 -4.836 1.00 0.00 H new ATOM 0 HG22 VAL A 103 -16.495 -5.227 -5.753 1.00 0.00 H new ATOM 0 HG23 VAL A 103 -17.206 -6.103 -4.376 1.00 0.00 H new ATOM 1630 N VAL A 104 -12.629 -4.097 -3.131 1.00 0.00 N ATOM 1631 CA VAL A 104 -11.656 -3.470 -2.247 1.00 0.00 C ATOM 1632 C VAL A 104 -12.171 -2.120 -1.762 1.00 0.00 C ATOM 1633 O VAL A 104 -12.579 -1.279 -2.565 1.00 0.00 O ATOM 1634 CB VAL A 104 -10.297 -3.259 -2.950 1.00 0.00 C ATOM 1635 CG1 VAL A 104 -9.246 -2.779 -1.960 1.00 0.00 C ATOM 1636 CG2 VAL A 104 -9.841 -4.536 -3.636 1.00 0.00 C ATOM 0 H VAL A 104 -12.385 -4.054 -4.120 1.00 0.00 H new ATOM 0 HA VAL A 104 -11.513 -4.143 -1.401 1.00 0.00 H new ATOM 0 HB VAL A 104 -10.426 -2.490 -3.711 1.00 0.00 H new ATOM 0 HG11 VAL A 104 -8.297 -2.637 -2.477 1.00 0.00 H new ATOM 0 HG12 VAL A 104 -9.565 -1.834 -1.521 1.00 0.00 H new ATOM 0 HG13 VAL A 104 -9.122 -3.522 -1.172 1.00 0.00 H new ATOM 0 HG21 VAL A 104 -8.882 -4.364 -4.124 1.00 0.00 H new ATOM 0 HG22 VAL A 104 -9.734 -5.329 -2.895 1.00 0.00 H new ATOM 0 HG23 VAL A 104 -10.579 -4.833 -4.381 1.00 0.00 H new ATOM 1646 N GLN A 105 -12.165 -1.923 -0.453 1.00 0.00 N ATOM 1647 CA GLN A 105 -12.597 -0.662 0.123 1.00 0.00 C ATOM 1648 C GLN A 105 -11.465 -0.020 0.905 1.00 0.00 C ATOM 1649 O GLN A 105 -10.579 -0.714 1.410 1.00 0.00 O ATOM 1650 CB GLN A 105 -13.783 -0.857 1.060 1.00 0.00 C ATOM 1651 CG GLN A 105 -14.834 -1.821 0.554 1.00 0.00 C ATOM 1652 CD GLN A 105 -16.169 -1.581 1.211 1.00 0.00 C ATOM 1653 OE1 GLN A 105 -16.423 -2.061 2.316 1.00 0.00 O ATOM 1654 NE2 GLN A 105 -17.041 -0.867 0.521 1.00 0.00 N ATOM 0 H GLN A 105 -11.866 -2.620 0.229 1.00 0.00 H new ATOM 0 HA GLN A 105 -12.895 -0.016 -0.703 1.00 0.00 H new ATOM 0 HB2 GLN A 105 -13.414 -1.214 2.022 1.00 0.00 H new ATOM 0 HB3 GLN A 105 -14.252 0.111 1.238 1.00 0.00 H new ATOM 0 HG2 GLN A 105 -14.935 -1.716 -0.526 1.00 0.00 H new ATOM 0 HG3 GLN A 105 -14.512 -2.845 0.746 1.00 0.00 H new ATOM 0 HE21 GLN A 105 -16.783 -0.490 -0.391 1.00 0.00 H new ATOM 0 HE22 GLN A 105 -17.972 -0.693 0.901 1.00 0.00 H new ATOM 1663 N LEU A 106 -11.509 1.299 1.012 1.00 0.00 N ATOM 1664 CA LEU A 106 -10.513 2.040 1.768 1.00 0.00 C ATOM 1665 C LEU A 106 -11.171 2.912 2.831 1.00 0.00 C ATOM 1666 O LEU A 106 -12.154 3.604 2.557 1.00 0.00 O ATOM 1667 CB LEU A 106 -9.683 2.929 0.840 1.00 0.00 C ATOM 1668 CG LEU A 106 -8.858 2.196 -0.215 1.00 0.00 C ATOM 1669 CD1 LEU A 106 -8.079 3.193 -1.057 1.00 0.00 C ATOM 1670 CD2 LEU A 106 -7.915 1.202 0.440 1.00 0.00 C ATOM 0 H LEU A 106 -12.228 1.880 0.582 1.00 0.00 H new ATOM 0 HA LEU A 106 -9.863 1.312 2.254 1.00 0.00 H new ATOM 0 HB2 LEU A 106 -10.355 3.621 0.333 1.00 0.00 H new ATOM 0 HB3 LEU A 106 -9.008 3.529 1.450 1.00 0.00 H new ATOM 0 HG LEU A 106 -9.537 1.645 -0.866 1.00 0.00 H new ATOM 0 HD11 LEU A 106 -7.494 2.659 -1.806 1.00 0.00 H new ATOM 0 HD12 LEU A 106 -8.773 3.870 -1.554 1.00 0.00 H new ATOM 0 HD13 LEU A 106 -7.410 3.766 -0.416 1.00 0.00 H new ATOM 0 HD21 LEU A 106 -7.336 0.690 -0.328 1.00 0.00 H new ATOM 0 HD22 LEU A 106 -7.239 1.730 1.112 1.00 0.00 H new ATOM 0 HD23 LEU A 106 -8.493 0.472 1.007 1.00 0.00 H new ATOM 1682 N ARG A 107 -10.641 2.860 4.044 1.00 0.00 N ATOM 1683 CA ARG A 107 -11.044 3.788 5.086 1.00 0.00 C ATOM 1684 C ARG A 107 -9.849 4.632 5.495 1.00 0.00 C ATOM 1685 O ARG A 107 -8.936 4.155 6.175 1.00 0.00 O ATOM 1686 CB ARG A 107 -11.634 3.066 6.306 1.00 0.00 C ATOM 1687 CG ARG A 107 -12.084 4.023 7.403 1.00 0.00 C ATOM 1688 CD ARG A 107 -12.976 3.348 8.438 1.00 0.00 C ATOM 1689 NE ARG A 107 -12.261 2.378 9.266 1.00 0.00 N ATOM 1690 CZ ARG A 107 -12.825 1.683 10.256 1.00 0.00 C ATOM 1691 NH1 ARG A 107 -14.082 1.930 10.610 1.00 0.00 N ATOM 1692 NH2 ARG A 107 -12.116 0.777 10.919 1.00 0.00 N ATOM 0 H ARG A 107 -9.932 2.185 4.329 1.00 0.00 H new ATOM 0 HA ARG A 107 -11.830 4.428 4.686 1.00 0.00 H new ATOM 0 HB2 ARG A 107 -12.483 2.461 5.988 1.00 0.00 H new ATOM 0 HB3 ARG A 107 -10.889 2.381 6.712 1.00 0.00 H new ATOM 0 HG2 ARG A 107 -11.207 4.439 7.900 1.00 0.00 H new ATOM 0 HG3 ARG A 107 -12.622 4.858 6.954 1.00 0.00 H new ATOM 0 HD2 ARG A 107 -13.417 4.110 9.081 1.00 0.00 H new ATOM 0 HD3 ARG A 107 -13.798 2.846 7.928 1.00 0.00 H new ATOM 0 HE ARG A 107 -11.271 2.223 9.075 1.00 0.00 H new ATOM 0 HH11 ARG A 107 -14.616 2.651 10.125 1.00 0.00 H new ATOM 0 HH12 ARG A 107 -14.513 1.399 11.367 1.00 0.00 H new ATOM 0 HH21 ARG A 107 -11.140 0.612 10.672 1.00 0.00 H new ATOM 0 HH22 ARG A 107 -12.547 0.246 11.676 1.00 0.00 H new ATOM 1706 N GLY A 108 -9.846 5.874 5.050 1.00 0.00 N ATOM 1707 CA GLY A 108 -8.741 6.760 5.341 1.00 0.00 C ATOM 1708 C GLY A 108 -9.190 8.024 6.037 1.00 0.00 C ATOM 1709 O GLY A 108 -9.890 8.847 5.451 1.00 0.00 O ATOM 0 H GLY A 108 -10.591 6.288 4.490 1.00 0.00 H new ATOM 0 HA2 GLY A 108 -8.016 6.240 5.968 1.00 0.00 H new ATOM 0 HA3 GLY A 108 -8.232 7.020 4.413 1.00 0.00 H new ATOM 1713 N GLY A 109 -8.792 8.172 7.290 1.00 0.00 N ATOM 1714 CA GLY A 109 -9.148 9.355 8.043 1.00 0.00 C ATOM 1715 C GLY A 109 -8.140 10.464 7.847 1.00 0.00 C ATOM 1716 O GLY A 109 -7.171 10.571 8.598 1.00 0.00 O ATOM 0 H GLY A 109 -8.228 7.493 7.800 1.00 0.00 H new ATOM 0 HA2 GLY A 109 -10.134 9.700 7.734 1.00 0.00 H new ATOM 0 HA3 GLY A 109 -9.215 9.106 9.102 1.00 0.00 H new ATOM 1720 N SER A 110 -8.354 11.277 6.827 1.00 0.00 N ATOM 1721 CA SER A 110 -7.445 12.365 6.513 1.00 0.00 C ATOM 1722 C SER A 110 -8.224 13.642 6.217 1.00 0.00 C ATOM 1723 O SER A 110 -8.416 14.447 7.153 1.00 0.00 O ATOM 1724 CB SER A 110 -6.566 11.978 5.327 1.00 0.00 C ATOM 1725 OG SER A 110 -5.808 10.816 5.623 1.00 0.00 O ATOM 1726 OXT SER A 110 -8.670 13.820 5.066 1.00 0.00 O ATOM 0 H SER A 110 -9.154 11.203 6.199 1.00 0.00 H new ATOM 0 HA SER A 110 -6.805 12.554 7.375 1.00 0.00 H new ATOM 0 HB2 SER A 110 -7.188 11.799 4.450 1.00 0.00 H new ATOM 0 HB3 SER A 110 -5.896 12.802 5.080 1.00 0.00 H new ATOM 0 HG SER A 110 -6.143 10.063 5.093 1.00 0.00 H new TER 1732 SER A 110