USER MOD reduce.3.24.130724 H: found=0, std=0, add=812, rem=0, adj=27 USER MOD reduce.3.24.130724 removed 809 hydrogens (0 hets) USER MOD ----------------------------------------------------------------- USER MOD scores for adjustable sidechains, with "set" totals for H,N and Q USER MOD "o" means original, "f" means flipped, "180deg" is methyl default USER MOD "!" flags a clash with an overlap of 0.40A or greater USER MOD flip categories: "K"=keep, "C"=clashes, "X"=uncertain, "F"=flip USER MOD Set 1.1: A 82 SER OG : rot 167:sc= -1.19! USER MOD Set 1.2: A 84 ASN :FLIP amide:sc= -4.7! C(o=-13!,f=-5.9!) USER MOD Set 2.1: A 20 ASN : amide:sc= -3.98! C(o=-2.8!,f=-5.6!) USER MOD Set 2.2: A 61 LYS NZ :NH3+ -114:sc= 1.14 (180deg=0) USER MOD Single : A 1 ASP N :NH3+ -170:sc= 0.876 (180deg=0.732) USER MOD Single : A 8 SER OG : rot 180:sc= 0 USER MOD Single : A 9 CYS SG : rot -170:sc= -2.9! USER MOD Single : A 12 ASN : amide:sc= -0.0137 K(o=-0.014,f=-0.98) USER MOD Single : A 14 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 19 LYS NZ :NH3+ 180:sc= -0.0226 (180deg=-0.0226) USER MOD Single : A 23 GLN : amide:sc= 0.95 K(o=0.95,f=0) USER MOD Single : A 25 LYS NZ :NH3+ 139:sc= -0.105 (180deg=-0.61) USER MOD Single : A 26 SER OG : rot -160:sc= -0.0289 USER MOD Single : A 27 ASN :FLIP amide:sc= -0.0157 F(o=-0.86!,f=-0.016) USER MOD Single : A 30 LYS NZ :NH3+ -121:sc= -0.497 (180deg=-1.73) USER MOD Single : A 32 THR OG1 : rot 180:sc= 0 USER MOD Single : A 33 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 36 TYR OH : rot 130:sc= -5.62! USER MOD Single : A 37 SER OG : rot 56:sc= -0.127 USER MOD Single : A 39 THR OG1 : rot 180:sc= -0.322 USER MOD Single : A 41 GLN : amide:sc= 0 X(o=0,f=-0.2) USER MOD Single : A 45 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 57 THR OG1 : rot -170:sc= -0.894 USER MOD Single : A 63 THR OG1 : rot 180:sc= 0.0952 USER MOD Single : A 64 GLN :FLIP amide:sc= 0 F(o=-1.2!,f=0) USER MOD Single : A 73 LYS NZ :NH3+ -128:sc= -1.44 (180deg=-3.99!) USER MOD Single : A 74 TYR OH : rot 180:sc= 0 USER MOD Single : A 77 TYR OH : rot 180:sc= 0 USER MOD Single : A 78 SER OG : rot 180:sc= -0.21 USER MOD Single : A 79 HIS : no HE2:sc= -8.65! C(o=-8.7!,f=-15!) USER MOD Single : A 83 SER OG : rot 154:sc= -0.855 USER MOD Single : A 92 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 97 THR OG1 : rot 180:sc= 0 USER MOD Single : A 99 THR OG1 : rot 180:sc= 0 USER MOD Single : A 101 GLN : amide:sc= -1.32! K(o=-1.3!,f=-1.9) USER MOD Single : A 102 ASN :FLIP amide:sc=-0.00256 F(o=-1.4!,f=-0.0026) USER MOD Single : A 104 ASN :FLIP amide:sc= -1.95! C(o=-2.8!,f=-2!) USER MOD ----------------------------------------------------------------- ATOM 1 N ASP A 1 11.410 -12.851 -4.435 1.00 0.00 N ATOM 2 CA ASP A 1 10.181 -13.401 -5.072 1.00 0.00 C ATOM 3 C ASP A 1 9.149 -12.309 -5.324 1.00 0.00 C ATOM 4 O ASP A 1 8.890 -11.484 -4.470 1.00 0.00 O ATOM 5 CB ASP A 1 9.568 -14.438 -4.115 1.00 0.00 C ATOM 6 CG ASP A 1 10.674 -15.037 -3.241 1.00 0.00 C ATOM 7 OD1 ASP A 1 11.786 -15.094 -3.740 1.00 0.00 O ATOM 8 OD2 ASP A 1 10.342 -15.404 -2.126 1.00 0.00 O ATOM 0 H1 ASP A 1 12.154 -13.578 -4.431 1.00 0.00 H new ATOM 0 H2 ASP A 1 11.738 -12.023 -4.972 1.00 0.00 H new ATOM 0 H3 ASP A 1 11.197 -12.568 -3.457 1.00 0.00 H new ATOM 0 HA ASP A 1 10.452 -13.847 -6.029 1.00 0.00 H new ATOM 0 HB2 ASP A 1 8.809 -13.968 -3.490 1.00 0.00 H new ATOM 0 HB3 ASP A 1 9.071 -15.225 -4.683 1.00 0.00 H new ATOM 13 N TRP A 2 8.576 -12.324 -6.499 1.00 0.00 N ATOM 14 CA TRP A 2 7.559 -11.300 -6.832 1.00 0.00 C ATOM 15 C TRP A 2 6.208 -11.658 -6.209 1.00 0.00 C ATOM 16 O TRP A 2 5.403 -12.323 -6.824 1.00 0.00 O ATOM 17 CB TRP A 2 7.403 -11.270 -8.380 1.00 0.00 C ATOM 18 CG TRP A 2 8.194 -10.092 -8.974 1.00 0.00 C ATOM 19 CD1 TRP A 2 9.163 -9.446 -8.340 1.00 0.00 C ATOM 20 CD2 TRP A 2 7.972 -9.565 -10.165 1.00 0.00 C ATOM 21 NE1 TRP A 2 9.517 -8.477 -9.207 1.00 0.00 N ATOM 22 CE2 TRP A 2 8.806 -8.487 -10.391 1.00 0.00 C ATOM 23 CE3 TRP A 2 7.083 -9.957 -11.159 1.00 0.00 C ATOM 24 CZ2 TRP A 2 8.749 -7.803 -11.589 1.00 0.00 C ATOM 25 CZ3 TRP A 2 7.037 -9.273 -12.358 1.00 0.00 C ATOM 26 CH2 TRP A 2 7.869 -8.197 -12.571 1.00 0.00 C ATOM 0 H TRP A 2 8.772 -13.001 -7.236 1.00 0.00 H new ATOM 0 HA TRP A 2 7.876 -10.332 -6.444 1.00 0.00 H new ATOM 0 HB2 TRP A 2 7.759 -12.208 -8.806 1.00 0.00 H new ATOM 0 HB3 TRP A 2 6.349 -11.179 -8.644 1.00 0.00 H new ATOM 0 HD1 TRP A 2 9.572 -9.648 -7.361 1.00 0.00 H new ATOM 0 HE1 TRP A 2 10.248 -7.794 -9.006 1.00 0.00 H new ATOM 0 HE3 TRP A 2 6.427 -10.799 -10.993 1.00 0.00 H new ATOM 0 HZ2 TRP A 2 9.397 -6.956 -11.756 1.00 0.00 H new ATOM 0 HZ3 TRP A 2 6.347 -9.583 -13.129 1.00 0.00 H new ATOM 0 HH2 TRP A 2 7.831 -7.662 -13.509 1.00 0.00 H new ATOM 37 N VAL A 3 5.985 -11.214 -4.989 1.00 0.00 N ATOM 38 CA VAL A 3 4.683 -11.533 -4.333 1.00 0.00 C ATOM 39 C VAL A 3 4.391 -10.611 -3.142 1.00 0.00 C ATOM 40 O VAL A 3 4.819 -10.876 -2.036 1.00 0.00 O ATOM 41 CB VAL A 3 4.743 -12.986 -3.816 1.00 0.00 C ATOM 42 CG1 VAL A 3 4.012 -13.919 -4.792 1.00 0.00 C ATOM 43 CG2 VAL A 3 6.206 -13.424 -3.707 1.00 0.00 C ATOM 0 H VAL A 3 6.636 -10.657 -4.435 1.00 0.00 H new ATOM 0 HA VAL A 3 3.892 -11.394 -5.070 1.00 0.00 H new ATOM 0 HB VAL A 3 4.264 -13.038 -2.838 1.00 0.00 H new ATOM 0 HG11 VAL A 3 4.059 -14.943 -4.421 1.00 0.00 H new ATOM 0 HG12 VAL A 3 2.970 -13.611 -4.878 1.00 0.00 H new ATOM 0 HG13 VAL A 3 4.488 -13.866 -5.771 1.00 0.00 H new ATOM 0 HG21 VAL A 3 6.252 -14.450 -3.342 1.00 0.00 H new ATOM 0 HG22 VAL A 3 6.677 -13.366 -4.688 1.00 0.00 H new ATOM 0 HG23 VAL A 3 6.731 -12.768 -3.013 1.00 0.00 H new ATOM 53 N ILE A 4 3.664 -9.544 -3.385 1.00 0.00 N ATOM 54 CA ILE A 4 3.348 -8.619 -2.266 1.00 0.00 C ATOM 55 C ILE A 4 2.107 -7.748 -2.582 1.00 0.00 C ATOM 56 O ILE A 4 2.216 -6.655 -3.096 1.00 0.00 O ATOM 57 CB ILE A 4 4.561 -7.713 -2.040 1.00 0.00 C ATOM 58 CG1 ILE A 4 4.307 -6.813 -0.844 1.00 0.00 C ATOM 59 CG2 ILE A 4 4.785 -6.829 -3.277 1.00 0.00 C ATOM 60 CD1 ILE A 4 4.429 -7.641 0.436 1.00 0.00 C ATOM 0 H ILE A 4 3.285 -9.283 -4.295 1.00 0.00 H new ATOM 0 HA ILE A 4 3.124 -9.205 -1.374 1.00 0.00 H new ATOM 0 HB ILE A 4 5.439 -8.334 -1.862 1.00 0.00 H new ATOM 0 HG12 ILE A 4 5.024 -5.992 -0.831 1.00 0.00 H new ATOM 0 HG13 ILE A 4 3.314 -6.368 -0.912 1.00 0.00 H new ATOM 0 HG21 ILE A 4 5.649 -6.185 -3.113 1.00 0.00 H new ATOM 0 HG22 ILE A 4 4.963 -7.460 -4.148 1.00 0.00 H new ATOM 0 HG23 ILE A 4 3.902 -6.214 -3.449 1.00 0.00 H new ATOM 0 HD11 ILE A 4 4.248 -7.003 1.301 1.00 0.00 H new ATOM 0 HD12 ILE A 4 3.695 -8.447 0.420 1.00 0.00 H new ATOM 0 HD13 ILE A 4 5.431 -8.065 0.501 1.00 0.00 H new ATOM 72 N PRO A 5 0.934 -8.275 -2.259 1.00 0.00 N ATOM 73 CA PRO A 5 -0.331 -7.562 -2.499 1.00 0.00 C ATOM 74 C PRO A 5 -0.490 -6.248 -1.686 1.00 0.00 C ATOM 75 O PRO A 5 -0.971 -5.259 -2.205 1.00 0.00 O ATOM 76 CB PRO A 5 -1.430 -8.563 -2.074 1.00 0.00 C ATOM 77 CG PRO A 5 -0.725 -9.895 -1.674 1.00 0.00 C ATOM 78 CD PRO A 5 0.791 -9.647 -1.731 1.00 0.00 C ATOM 0 HA PRO A 5 -0.381 -7.252 -3.543 1.00 0.00 H new ATOM 0 HB2 PRO A 5 -2.005 -8.168 -1.237 1.00 0.00 H new ATOM 0 HB3 PRO A 5 -2.131 -8.731 -2.891 1.00 0.00 H new ATOM 0 HG2 PRO A 5 -1.026 -10.203 -0.673 1.00 0.00 H new ATOM 0 HG3 PRO A 5 -1.008 -10.699 -2.354 1.00 0.00 H new ATOM 0 HD2 PRO A 5 1.243 -9.739 -0.744 1.00 0.00 H new ATOM 0 HD3 PRO A 5 1.286 -10.372 -2.377 1.00 0.00 H new ATOM 86 N PRO A 6 -0.093 -6.269 -0.426 1.00 0.00 N ATOM 87 CA PRO A 6 -0.200 -5.087 0.434 1.00 0.00 C ATOM 88 C PRO A 6 0.748 -3.962 0.011 1.00 0.00 C ATOM 89 O PRO A 6 1.913 -4.187 -0.250 1.00 0.00 O ATOM 90 CB PRO A 6 0.188 -5.589 1.840 1.00 0.00 C ATOM 91 CG PRO A 6 0.591 -7.088 1.701 1.00 0.00 C ATOM 92 CD PRO A 6 0.468 -7.455 0.214 1.00 0.00 C ATOM 0 HA PRO A 6 -1.204 -4.665 0.383 1.00 0.00 H new ATOM 0 HB2 PRO A 6 1.015 -5.004 2.242 1.00 0.00 H new ATOM 0 HB3 PRO A 6 -0.647 -5.478 2.532 1.00 0.00 H new ATOM 0 HG2 PRO A 6 1.610 -7.247 2.054 1.00 0.00 H new ATOM 0 HG3 PRO A 6 -0.058 -7.719 2.308 1.00 0.00 H new ATOM 0 HD2 PRO A 6 1.439 -7.710 -0.211 1.00 0.00 H new ATOM 0 HD3 PRO A 6 -0.178 -8.321 0.074 1.00 0.00 H new ATOM 100 N ILE A 7 0.213 -2.764 -0.043 1.00 0.00 N ATOM 101 CA ILE A 7 1.042 -1.592 -0.441 1.00 0.00 C ATOM 102 C ILE A 7 0.709 -0.391 0.446 1.00 0.00 C ATOM 103 O ILE A 7 -0.237 -0.433 1.209 1.00 0.00 O ATOM 104 CB ILE A 7 0.723 -1.231 -1.897 1.00 0.00 C ATOM 105 CG1 ILE A 7 0.833 -2.469 -2.786 1.00 0.00 C ATOM 106 CG2 ILE A 7 1.744 -0.188 -2.378 1.00 0.00 C ATOM 107 CD1 ILE A 7 2.312 -2.806 -3.026 1.00 0.00 C ATOM 0 H ILE A 7 -0.761 -2.552 0.172 1.00 0.00 H new ATOM 0 HA ILE A 7 2.097 -1.843 -0.331 1.00 0.00 H new ATOM 0 HB ILE A 7 -0.292 -0.837 -1.956 1.00 0.00 H new ATOM 0 HG12 ILE A 7 0.330 -3.313 -2.314 1.00 0.00 H new ATOM 0 HG13 ILE A 7 0.332 -2.291 -3.737 1.00 0.00 H new ATOM 0 HG21 ILE A 7 1.531 0.080 -3.413 1.00 0.00 H new ATOM 0 HG22 ILE A 7 1.678 0.702 -1.752 1.00 0.00 H new ATOM 0 HG23 ILE A 7 2.749 -0.605 -2.311 1.00 0.00 H new ATOM 0 HD11 ILE A 7 2.386 -3.689 -3.660 1.00 0.00 H new ATOM 0 HD12 ILE A 7 2.802 -1.965 -3.517 1.00 0.00 H new ATOM 0 HD13 ILE A 7 2.800 -3.003 -2.071 1.00 0.00 H new ATOM 119 N SER A 8 1.496 0.658 0.331 1.00 0.00 N ATOM 120 CA SER A 8 1.236 1.873 1.166 1.00 0.00 C ATOM 121 C SER A 8 1.295 3.148 0.331 1.00 0.00 C ATOM 122 O SER A 8 2.093 3.261 -0.580 1.00 0.00 O ATOM 123 CB SER A 8 2.324 1.952 2.248 1.00 0.00 C ATOM 124 OG SER A 8 3.526 1.656 1.552 1.00 0.00 O ATOM 0 H SER A 8 2.297 0.723 -0.298 1.00 0.00 H new ATOM 0 HA SER A 8 0.240 1.791 1.600 1.00 0.00 H new ATOM 0 HB2 SER A 8 2.361 2.941 2.705 1.00 0.00 H new ATOM 0 HB3 SER A 8 2.141 1.237 3.050 1.00 0.00 H new ATOM 0 HG SER A 8 4.281 1.687 2.176 1.00 0.00 H new ATOM 130 N CYS A 9 0.440 4.092 0.665 1.00 0.00 N ATOM 131 CA CYS A 9 0.421 5.376 -0.093 1.00 0.00 C ATOM 132 C CYS A 9 0.306 6.581 0.876 1.00 0.00 C ATOM 133 O CYS A 9 -0.656 6.689 1.611 1.00 0.00 O ATOM 134 CB CYS A 9 -0.811 5.369 -0.998 1.00 0.00 C ATOM 135 SG CYS A 9 -0.614 4.698 -2.666 1.00 0.00 S ATOM 0 H CYS A 9 -0.238 4.024 1.424 1.00 0.00 H new ATOM 0 HA CYS A 9 1.342 5.470 -0.668 1.00 0.00 H new ATOM 0 HB2 CYS A 9 -1.594 4.801 -0.496 1.00 0.00 H new ATOM 0 HB3 CYS A 9 -1.169 6.395 -1.088 1.00 0.00 H new ATOM 0 HG CYS A 9 -1.678 4.958 -3.367 1.00 0.00 H new ATOM 141 N PRO A 10 1.301 7.472 0.860 1.00 0.00 N ATOM 142 CA PRO A 10 1.288 8.646 1.738 1.00 0.00 C ATOM 143 C PRO A 10 0.115 9.588 1.470 1.00 0.00 C ATOM 144 O PRO A 10 -0.447 9.635 0.380 1.00 0.00 O ATOM 145 CB PRO A 10 2.613 9.380 1.441 1.00 0.00 C ATOM 146 CG PRO A 10 3.374 8.556 0.361 1.00 0.00 C ATOM 147 CD PRO A 10 2.493 7.351 0.002 1.00 0.00 C ATOM 0 HA PRO A 10 1.181 8.333 2.777 1.00 0.00 H new ATOM 0 HB2 PRO A 10 2.419 10.392 1.085 1.00 0.00 H new ATOM 0 HB3 PRO A 10 3.212 9.470 2.347 1.00 0.00 H new ATOM 0 HG2 PRO A 10 3.569 9.166 -0.521 1.00 0.00 H new ATOM 0 HG3 PRO A 10 4.341 8.226 0.740 1.00 0.00 H new ATOM 0 HD2 PRO A 10 2.221 7.363 -1.053 1.00 0.00 H new ATOM 0 HD3 PRO A 10 3.016 6.413 0.186 1.00 0.00 H new ATOM 155 N GLU A 11 -0.224 10.324 2.492 1.00 0.00 N ATOM 156 CA GLU A 11 -1.333 11.280 2.390 1.00 0.00 C ATOM 157 C GLU A 11 -0.803 12.703 2.258 1.00 0.00 C ATOM 158 O GLU A 11 0.290 13.000 2.696 1.00 0.00 O ATOM 159 CB GLU A 11 -2.143 11.179 3.685 1.00 0.00 C ATOM 160 CG GLU A 11 -3.534 11.711 3.440 1.00 0.00 C ATOM 161 CD GLU A 11 -4.208 12.002 4.782 1.00 0.00 C ATOM 162 OE1 GLU A 11 -3.687 11.506 5.768 1.00 0.00 O ATOM 163 OE2 GLU A 11 -5.207 12.705 4.747 1.00 0.00 O ATOM 0 H GLU A 11 0.235 10.294 3.402 1.00 0.00 H new ATOM 0 HA GLU A 11 -1.940 11.051 1.514 1.00 0.00 H new ATOM 0 HB2 GLU A 11 -2.190 10.143 4.019 1.00 0.00 H new ATOM 0 HB3 GLU A 11 -1.657 11.748 4.478 1.00 0.00 H new ATOM 0 HG2 GLU A 11 -3.488 12.619 2.839 1.00 0.00 H new ATOM 0 HG3 GLU A 11 -4.119 10.985 2.876 1.00 0.00 H new ATOM 170 N ASN A 12 -1.584 13.555 1.661 1.00 0.00 N ATOM 171 CA ASN A 12 -1.136 14.959 1.497 1.00 0.00 C ATOM 172 C ASN A 12 0.321 15.024 1.042 1.00 0.00 C ATOM 173 O ASN A 12 1.180 15.478 1.770 1.00 0.00 O ATOM 174 CB ASN A 12 -1.254 15.658 2.861 1.00 0.00 C ATOM 175 CG ASN A 12 -2.731 15.883 3.191 1.00 0.00 C ATOM 176 OD1 ASN A 12 -3.535 16.175 2.328 1.00 0.00 O ATOM 177 ND2 ASN A 12 -3.129 15.758 4.428 1.00 0.00 N ATOM 0 H ASN A 12 -2.507 13.341 1.282 1.00 0.00 H new ATOM 0 HA ASN A 12 -1.756 15.444 0.742 1.00 0.00 H new ATOM 0 HB2 ASN A 12 -0.786 15.050 3.635 1.00 0.00 H new ATOM 0 HB3 ASN A 12 -0.725 16.611 2.841 1.00 0.00 H new ATOM 0 HD21 ASN A 12 -4.110 15.905 4.665 1.00 0.00 H new ATOM 0 HD22 ASN A 12 -2.459 15.513 5.157 1.00 0.00 H new ATOM 184 N GLU A 13 0.571 14.572 -0.155 1.00 0.00 N ATOM 185 CA GLU A 13 1.966 14.602 -0.669 1.00 0.00 C ATOM 186 C GLU A 13 2.264 15.929 -1.353 1.00 0.00 C ATOM 187 O GLU A 13 1.697 16.241 -2.380 1.00 0.00 O ATOM 188 CB GLU A 13 2.129 13.473 -1.702 1.00 0.00 C ATOM 189 CG GLU A 13 3.006 12.369 -1.113 1.00 0.00 C ATOM 190 CD GLU A 13 2.660 11.043 -1.791 1.00 0.00 C ATOM 191 OE1 GLU A 13 1.551 10.590 -1.560 1.00 0.00 O ATOM 192 OE2 GLU A 13 3.524 10.558 -2.503 1.00 0.00 O ATOM 0 H GLU A 13 -0.124 14.186 -0.794 1.00 0.00 H new ATOM 0 HA GLU A 13 2.653 14.475 0.168 1.00 0.00 H new ATOM 0 HB2 GLU A 13 1.153 13.071 -1.975 1.00 0.00 H new ATOM 0 HB3 GLU A 13 2.580 13.863 -2.615 1.00 0.00 H new ATOM 0 HG2 GLU A 13 4.060 12.605 -1.263 1.00 0.00 H new ATOM 0 HG3 GLU A 13 2.846 12.295 -0.037 1.00 0.00 H new ATOM 199 N LYS A 14 3.149 16.688 -0.773 1.00 0.00 N ATOM 200 CA LYS A 14 3.493 17.996 -1.380 1.00 0.00 C ATOM 201 C LYS A 14 4.659 17.844 -2.346 1.00 0.00 C ATOM 202 O LYS A 14 5.546 17.042 -2.127 1.00 0.00 O ATOM 203 CB LYS A 14 3.902 18.960 -0.258 1.00 0.00 C ATOM 204 CG LYS A 14 4.992 18.306 0.594 1.00 0.00 C ATOM 205 CD LYS A 14 5.406 19.274 1.703 1.00 0.00 C ATOM 206 CE LYS A 14 6.468 20.234 1.159 1.00 0.00 C ATOM 207 NZ LYS A 14 7.816 19.600 1.199 1.00 0.00 N ATOM 0 H LYS A 14 3.644 16.459 0.089 1.00 0.00 H new ATOM 0 HA LYS A 14 2.630 18.378 -1.925 1.00 0.00 H new ATOM 0 HB2 LYS A 14 4.267 19.896 -0.681 1.00 0.00 H new ATOM 0 HB3 LYS A 14 3.038 19.205 0.360 1.00 0.00 H new ATOM 0 HG2 LYS A 14 4.625 17.375 1.025 1.00 0.00 H new ATOM 0 HG3 LYS A 14 5.853 18.053 -0.025 1.00 0.00 H new ATOM 0 HD2 LYS A 14 4.540 19.833 2.057 1.00 0.00 H new ATOM 0 HD3 LYS A 14 5.800 18.722 2.556 1.00 0.00 H new ATOM 0 HE2 LYS A 14 6.222 20.515 0.135 1.00 0.00 H new ATOM 0 HE3 LYS A 14 6.474 21.151 1.748 1.00 0.00 H new ATOM 0 HZ1 LYS A 14 8.524 20.265 0.827 1.00 0.00 H new ATOM 0 HZ2 LYS A 14 8.055 19.354 2.181 1.00 0.00 H new ATOM 0 HZ3 LYS A 14 7.811 18.738 0.618 1.00 0.00 H new ATOM 221 N GLY A 15 4.636 18.617 -3.402 1.00 0.00 N ATOM 222 CA GLY A 15 5.742 18.534 -4.403 1.00 0.00 C ATOM 223 C GLY A 15 5.185 18.588 -5.827 1.00 0.00 C ATOM 224 O GLY A 15 4.315 19.382 -6.124 1.00 0.00 O ATOM 0 H GLY A 15 3.905 19.297 -3.613 1.00 0.00 H new ATOM 0 HA2 GLY A 15 6.441 19.356 -4.249 1.00 0.00 H new ATOM 0 HA3 GLY A 15 6.300 17.609 -4.260 1.00 0.00 H new ATOM 228 N GLU A 16 5.708 17.731 -6.676 1.00 0.00 N ATOM 229 CA GLU A 16 5.238 17.696 -8.091 1.00 0.00 C ATOM 230 C GLU A 16 4.625 16.341 -8.422 1.00 0.00 C ATOM 231 O GLU A 16 5.133 15.313 -8.016 1.00 0.00 O ATOM 232 CB GLU A 16 6.452 17.924 -9.005 1.00 0.00 C ATOM 233 CG GLU A 16 7.292 19.070 -8.440 1.00 0.00 C ATOM 234 CD GLU A 16 8.491 19.320 -9.356 1.00 0.00 C ATOM 235 OE1 GLU A 16 8.334 19.060 -10.538 1.00 0.00 O ATOM 236 OE2 GLU A 16 9.498 19.756 -8.824 1.00 0.00 O ATOM 0 H GLU A 16 6.439 17.057 -6.446 1.00 0.00 H new ATOM 0 HA GLU A 16 4.482 18.468 -8.238 1.00 0.00 H new ATOM 0 HB2 GLU A 16 7.050 17.015 -9.070 1.00 0.00 H new ATOM 0 HB3 GLU A 16 6.122 18.162 -10.016 1.00 0.00 H new ATOM 0 HG2 GLU A 16 6.687 19.973 -8.359 1.00 0.00 H new ATOM 0 HG3 GLU A 16 7.633 18.824 -7.435 1.00 0.00 H new ATOM 243 N PHE A 17 3.542 16.369 -9.162 1.00 0.00 N ATOM 244 CA PHE A 17 2.863 15.098 -9.542 1.00 0.00 C ATOM 245 C PHE A 17 3.045 14.822 -11.041 1.00 0.00 C ATOM 246 O PHE A 17 3.272 15.730 -11.814 1.00 0.00 O ATOM 247 CB PHE A 17 1.364 15.263 -9.233 1.00 0.00 C ATOM 248 CG PHE A 17 1.138 15.021 -7.737 1.00 0.00 C ATOM 249 CD1 PHE A 17 1.226 16.070 -6.835 1.00 0.00 C ATOM 250 CD2 PHE A 17 0.854 13.751 -7.263 1.00 0.00 C ATOM 251 CE1 PHE A 17 1.035 15.850 -5.486 1.00 0.00 C ATOM 252 CE2 PHE A 17 0.664 13.535 -5.911 1.00 0.00 C ATOM 253 CZ PHE A 17 0.754 14.585 -5.026 1.00 0.00 C ATOM 0 H PHE A 17 3.102 17.218 -9.517 1.00 0.00 H new ATOM 0 HA PHE A 17 3.290 14.264 -8.985 1.00 0.00 H new ATOM 0 HB2 PHE A 17 1.030 16.263 -9.508 1.00 0.00 H new ATOM 0 HB3 PHE A 17 0.777 14.558 -9.822 1.00 0.00 H new ATOM 0 HD1 PHE A 17 1.445 17.066 -7.190 1.00 0.00 H new ATOM 0 HD2 PHE A 17 0.781 12.924 -7.954 1.00 0.00 H new ATOM 0 HE1 PHE A 17 1.106 16.673 -4.790 1.00 0.00 H new ATOM 0 HE2 PHE A 17 0.445 12.541 -5.549 1.00 0.00 H new ATOM 0 HZ PHE A 17 0.604 14.415 -3.970 1.00 0.00 H new ATOM 263 N PRO A 18 2.938 13.557 -11.430 1.00 0.00 N ATOM 264 CA PRO A 18 2.665 12.439 -10.512 1.00 0.00 C ATOM 265 C PRO A 18 3.873 12.101 -9.642 1.00 0.00 C ATOM 266 O PRO A 18 4.987 12.485 -9.945 1.00 0.00 O ATOM 267 CB PRO A 18 2.367 11.240 -11.438 1.00 0.00 C ATOM 268 CG PRO A 18 2.664 11.697 -12.901 1.00 0.00 C ATOM 269 CD PRO A 18 3.049 13.185 -12.842 1.00 0.00 C ATOM 0 HA PRO A 18 1.850 12.687 -9.832 1.00 0.00 H new ATOM 0 HB2 PRO A 18 2.986 10.384 -11.170 1.00 0.00 H new ATOM 0 HB3 PRO A 18 1.328 10.926 -11.337 1.00 0.00 H new ATOM 0 HG2 PRO A 18 3.473 11.107 -13.332 1.00 0.00 H new ATOM 0 HG3 PRO A 18 1.790 11.550 -13.535 1.00 0.00 H new ATOM 0 HD2 PRO A 18 4.062 13.344 -13.212 1.00 0.00 H new ATOM 0 HD3 PRO A 18 2.385 13.788 -13.461 1.00 0.00 H new ATOM 277 N LYS A 19 3.616 11.382 -8.576 1.00 0.00 N ATOM 278 CA LYS A 19 4.716 10.992 -7.653 1.00 0.00 C ATOM 279 C LYS A 19 4.902 9.479 -7.640 1.00 0.00 C ATOM 280 O LYS A 19 3.963 8.737 -7.431 1.00 0.00 O ATOM 281 CB LYS A 19 4.337 11.457 -6.238 1.00 0.00 C ATOM 282 CG LYS A 19 5.518 12.204 -5.622 1.00 0.00 C ATOM 283 CD LYS A 19 5.070 12.860 -4.316 1.00 0.00 C ATOM 284 CE LYS A 19 6.174 13.792 -3.819 1.00 0.00 C ATOM 285 NZ LYS A 19 6.097 13.948 -2.339 1.00 0.00 N ATOM 0 H LYS A 19 2.689 11.050 -8.309 1.00 0.00 H new ATOM 0 HA LYS A 19 5.646 11.453 -7.986 1.00 0.00 H new ATOM 0 HB2 LYS A 19 3.462 12.105 -6.278 1.00 0.00 H new ATOM 0 HB3 LYS A 19 4.071 10.600 -5.620 1.00 0.00 H new ATOM 0 HG2 LYS A 19 6.341 11.515 -5.433 1.00 0.00 H new ATOM 0 HG3 LYS A 19 5.887 12.960 -6.315 1.00 0.00 H new ATOM 0 HD2 LYS A 19 4.148 13.420 -4.474 1.00 0.00 H new ATOM 0 HD3 LYS A 19 4.856 12.098 -3.567 1.00 0.00 H new ATOM 0 HE2 LYS A 19 7.149 13.392 -4.098 1.00 0.00 H new ATOM 0 HE3 LYS A 19 6.079 14.766 -4.299 1.00 0.00 H new ATOM 0 HZ1 LYS A 19 6.854 14.584 -2.017 1.00 0.00 H new ATOM 0 HZ2 LYS A 19 5.173 14.350 -2.080 1.00 0.00 H new ATOM 0 HZ3 LYS A 19 6.210 13.019 -1.886 1.00 0.00 H new ATOM 299 N ASN A 20 6.115 9.045 -7.863 1.00 0.00 N ATOM 300 CA ASN A 20 6.375 7.582 -7.866 1.00 0.00 C ATOM 301 C ASN A 20 6.300 7.016 -6.455 1.00 0.00 C ATOM 302 O ASN A 20 6.460 7.737 -5.491 1.00 0.00 O ATOM 303 CB ASN A 20 7.790 7.337 -8.414 1.00 0.00 C ATOM 304 CG ASN A 20 8.147 8.428 -9.425 1.00 0.00 C ATOM 305 OD1 ASN A 20 8.290 8.173 -10.604 1.00 0.00 O ATOM 306 ND2 ASN A 20 8.304 9.655 -9.006 1.00 0.00 N ATOM 0 H ASN A 20 6.927 9.636 -8.041 1.00 0.00 H new ATOM 0 HA ASN A 20 5.623 7.092 -8.484 1.00 0.00 H new ATOM 0 HB2 ASN A 20 8.512 7.335 -7.597 1.00 0.00 H new ATOM 0 HB3 ASN A 20 7.842 6.357 -8.888 1.00 0.00 H new ATOM 0 HD21 ASN A 20 8.545 10.393 -9.668 1.00 0.00 H new ATOM 0 HD22 ASN A 20 8.185 9.875 -8.017 1.00 0.00 H new ATOM 313 N LEU A 21 6.059 5.724 -6.364 1.00 0.00 N ATOM 314 CA LEU A 21 5.968 5.078 -5.022 1.00 0.00 C ATOM 315 C LEU A 21 6.891 3.870 -4.939 1.00 0.00 C ATOM 316 O LEU A 21 7.887 3.899 -4.244 1.00 0.00 O ATOM 317 CB LEU A 21 4.517 4.607 -4.794 1.00 0.00 C ATOM 318 CG LEU A 21 3.613 5.821 -4.537 1.00 0.00 C ATOM 319 CD1 LEU A 21 2.218 5.328 -4.143 1.00 0.00 C ATOM 320 CD2 LEU A 21 4.194 6.662 -3.393 1.00 0.00 C ATOM 0 H LEU A 21 5.923 5.099 -7.158 1.00 0.00 H new ATOM 0 HA LEU A 21 6.266 5.802 -4.264 1.00 0.00 H new ATOM 0 HB2 LEU A 21 4.163 4.055 -5.665 1.00 0.00 H new ATOM 0 HB3 LEU A 21 4.475 3.924 -3.945 1.00 0.00 H new ATOM 0 HG LEU A 21 3.552 6.430 -5.439 1.00 0.00 H new ATOM 0 HD11 LEU A 21 1.568 6.184 -3.958 1.00 0.00 H new ATOM 0 HD12 LEU A 21 1.803 4.725 -4.951 1.00 0.00 H new ATOM 0 HD13 LEU A 21 2.288 4.724 -3.239 1.00 0.00 H new ATOM 0 HD21 LEU A 21 3.551 7.523 -3.212 1.00 0.00 H new ATOM 0 HD22 LEU A 21 4.252 6.056 -2.489 1.00 0.00 H new ATOM 0 HD23 LEU A 21 5.192 7.005 -3.664 1.00 0.00 H new ATOM 332 N VAL A 22 6.550 2.825 -5.644 1.00 0.00 N ATOM 333 CA VAL A 22 7.419 1.614 -5.598 1.00 0.00 C ATOM 334 C VAL A 22 7.156 0.693 -6.783 1.00 0.00 C ATOM 335 O VAL A 22 6.115 0.758 -7.404 1.00 0.00 O ATOM 336 CB VAL A 22 7.122 0.850 -4.294 1.00 0.00 C ATOM 337 CG1 VAL A 22 5.937 -0.091 -4.517 1.00 0.00 C ATOM 338 CG2 VAL A 22 8.353 0.028 -3.896 1.00 0.00 C ATOM 0 H VAL A 22 5.724 2.756 -6.239 1.00 0.00 H new ATOM 0 HA VAL A 22 8.461 1.931 -5.640 1.00 0.00 H new ATOM 0 HB VAL A 22 6.883 1.559 -3.501 1.00 0.00 H new ATOM 0 HG11 VAL A 22 5.725 -0.633 -3.596 1.00 0.00 H new ATOM 0 HG12 VAL A 22 5.061 0.489 -4.807 1.00 0.00 H new ATOM 0 HG13 VAL A 22 6.180 -0.801 -5.308 1.00 0.00 H new ATOM 0 HG21 VAL A 22 8.146 -0.514 -2.973 1.00 0.00 H new ATOM 0 HG22 VAL A 22 8.588 -0.682 -4.689 1.00 0.00 H new ATOM 0 HG23 VAL A 22 9.202 0.695 -3.742 1.00 0.00 H new ATOM 348 N GLN A 23 8.109 -0.153 -7.070 1.00 0.00 N ATOM 349 CA GLN A 23 7.937 -1.086 -8.209 1.00 0.00 C ATOM 350 C GLN A 23 6.933 -2.175 -7.870 1.00 0.00 C ATOM 351 O GLN A 23 6.844 -2.615 -6.742 1.00 0.00 O ATOM 352 CB GLN A 23 9.297 -1.737 -8.516 1.00 0.00 C ATOM 353 CG GLN A 23 10.103 -0.821 -9.447 1.00 0.00 C ATOM 354 CD GLN A 23 11.116 -1.660 -10.228 1.00 0.00 C ATOM 355 OE1 GLN A 23 12.270 -1.760 -9.863 1.00 0.00 O ATOM 356 NE2 GLN A 23 10.725 -2.278 -11.309 1.00 0.00 N ATOM 0 H GLN A 23 8.992 -0.235 -6.566 1.00 0.00 H new ATOM 0 HA GLN A 23 7.568 -0.530 -9.071 1.00 0.00 H new ATOM 0 HB2 GLN A 23 9.847 -1.909 -7.591 1.00 0.00 H new ATOM 0 HB3 GLN A 23 9.149 -2.710 -8.984 1.00 0.00 H new ATOM 0 HG2 GLN A 23 9.435 -0.304 -10.135 1.00 0.00 H new ATOM 0 HG3 GLN A 23 10.618 -0.055 -8.867 1.00 0.00 H new ATOM 0 HE21 GLN A 23 9.757 -2.198 -11.620 1.00 0.00 H new ATOM 0 HE22 GLN A 23 11.387 -2.841 -11.842 1.00 0.00 H new ATOM 365 N ILE A 24 6.192 -2.591 -8.859 1.00 0.00 N ATOM 366 CA ILE A 24 5.185 -3.650 -8.621 1.00 0.00 C ATOM 367 C ILE A 24 5.796 -5.035 -8.828 1.00 0.00 C ATOM 368 O ILE A 24 6.872 -5.167 -9.379 1.00 0.00 O ATOM 369 CB ILE A 24 4.042 -3.448 -9.633 1.00 0.00 C ATOM 370 CG1 ILE A 24 2.976 -2.521 -9.046 1.00 0.00 C ATOM 371 CG2 ILE A 24 3.394 -4.811 -9.956 1.00 0.00 C ATOM 372 CD1 ILE A 24 2.075 -3.304 -8.082 1.00 0.00 C ATOM 0 H ILE A 24 6.243 -2.242 -9.816 1.00 0.00 H new ATOM 0 HA ILE A 24 4.822 -3.585 -7.595 1.00 0.00 H new ATOM 0 HB ILE A 24 4.450 -3.003 -10.540 1.00 0.00 H new ATOM 0 HG12 ILE A 24 3.452 -1.693 -8.521 1.00 0.00 H new ATOM 0 HG13 ILE A 24 2.377 -2.089 -9.847 1.00 0.00 H new ATOM 0 HG21 ILE A 24 2.585 -4.669 -10.672 1.00 0.00 H new ATOM 0 HG22 ILE A 24 4.143 -5.478 -10.383 1.00 0.00 H new ATOM 0 HG23 ILE A 24 2.996 -5.250 -9.041 1.00 0.00 H new ATOM 0 HD11 ILE A 24 1.319 -2.637 -7.668 1.00 0.00 H new ATOM 0 HD12 ILE A 24 1.587 -4.117 -8.619 1.00 0.00 H new ATOM 0 HD13 ILE A 24 2.678 -3.715 -7.273 1.00 0.00 H new ATOM 384 N LYS A 25 5.084 -6.042 -8.382 1.00 0.00 N ATOM 385 CA LYS A 25 5.582 -7.430 -8.532 1.00 0.00 C ATOM 386 C LYS A 25 4.449 -8.357 -8.994 1.00 0.00 C ATOM 387 O LYS A 25 3.374 -8.349 -8.430 1.00 0.00 O ATOM 388 CB LYS A 25 6.091 -7.919 -7.162 1.00 0.00 C ATOM 389 CG LYS A 25 6.838 -6.786 -6.428 1.00 0.00 C ATOM 390 CD LYS A 25 8.269 -6.688 -6.953 1.00 0.00 C ATOM 391 CE LYS A 25 8.993 -5.548 -6.225 1.00 0.00 C ATOM 392 NZ LYS A 25 9.003 -5.788 -4.751 1.00 0.00 N ATOM 0 H LYS A 25 4.179 -5.954 -7.921 1.00 0.00 H new ATOM 0 HA LYS A 25 6.381 -7.446 -9.273 1.00 0.00 H new ATOM 0 HB2 LYS A 25 5.252 -8.261 -6.557 1.00 0.00 H new ATOM 0 HB3 LYS A 25 6.755 -8.773 -7.298 1.00 0.00 H new ATOM 0 HG2 LYS A 25 6.320 -5.839 -6.578 1.00 0.00 H new ATOM 0 HG3 LYS A 25 6.846 -6.978 -5.355 1.00 0.00 H new ATOM 0 HD2 LYS A 25 8.794 -7.630 -6.793 1.00 0.00 H new ATOM 0 HD3 LYS A 25 8.264 -6.505 -8.027 1.00 0.00 H new ATOM 0 HE2 LYS A 25 10.016 -5.466 -6.593 1.00 0.00 H new ATOM 0 HE3 LYS A 25 8.500 -4.600 -6.441 1.00 0.00 H new ATOM 0 HZ1 LYS A 25 9.933 -5.530 -4.363 1.00 0.00 H new ATOM 0 HZ2 LYS A 25 8.267 -5.208 -4.300 1.00 0.00 H new ATOM 0 HZ3 LYS A 25 8.816 -6.793 -4.562 1.00 0.00 H new ATOM 406 N SER A 26 4.719 -9.140 -10.011 1.00 0.00 N ATOM 407 CA SER A 26 3.672 -10.074 -10.526 1.00 0.00 C ATOM 408 C SER A 26 3.880 -11.484 -9.991 1.00 0.00 C ATOM 409 O SER A 26 3.976 -11.691 -8.799 1.00 0.00 O ATOM 410 CB SER A 26 3.782 -10.124 -12.060 1.00 0.00 C ATOM 411 OG SER A 26 2.513 -10.602 -12.485 1.00 0.00 O ATOM 0 H SER A 26 5.612 -9.172 -10.503 1.00 0.00 H new ATOM 0 HA SER A 26 2.695 -9.715 -10.202 1.00 0.00 H new ATOM 0 HB2 SER A 26 3.997 -9.140 -12.476 1.00 0.00 H new ATOM 0 HB3 SER A 26 4.585 -10.788 -12.380 1.00 0.00 H new ATOM 0 HG SER A 26 2.587 -10.963 -13.393 1.00 0.00 H new ATOM 417 N ASN A 27 3.937 -12.431 -10.891 1.00 0.00 N ATOM 418 CA ASN A 27 4.137 -13.836 -10.467 1.00 0.00 C ATOM 419 C ASN A 27 4.675 -14.673 -11.627 1.00 0.00 C ATOM 420 O ASN A 27 5.642 -15.393 -11.480 1.00 0.00 O ATOM 421 CB ASN A 27 2.779 -14.406 -10.028 1.00 0.00 C ATOM 422 CG ASN A 27 3.003 -15.525 -9.007 1.00 0.00 C ATOM 423 OD1 ASN A 27 4.047 -16.297 -9.129 1.00 0.00 O flip ATOM 424 ND2 ASN A 27 2.228 -15.705 -8.088 1.00 0.00 N flip ATOM 0 H ASN A 27 3.853 -12.287 -11.897 1.00 0.00 H new ATOM 0 HA ASN A 27 4.856 -13.868 -9.648 1.00 0.00 H new ATOM 0 HB2 ASN A 27 2.165 -13.618 -9.591 1.00 0.00 H new ATOM 0 HB3 ASN A 27 2.237 -14.790 -10.892 1.00 0.00 H new ATOM 0 HD21 ASN A 27 1.409 -15.105 -7.986 1.00 0.00 H new ATOM 0 HD22 ASN A 27 2.396 -16.456 -7.419 1.00 0.00 H new ATOM 431 N ARG A 28 4.036 -14.559 -12.765 1.00 0.00 N ATOM 432 CA ARG A 28 4.496 -15.341 -13.944 1.00 0.00 C ATOM 433 C ARG A 28 5.752 -14.724 -14.545 1.00 0.00 C ATOM 434 O ARG A 28 6.135 -15.042 -15.651 1.00 0.00 O ATOM 435 CB ARG A 28 3.385 -15.321 -15.006 1.00 0.00 C ATOM 436 CG ARG A 28 2.194 -16.137 -14.505 1.00 0.00 C ATOM 437 CD ARG A 28 2.461 -17.619 -14.770 1.00 0.00 C ATOM 438 NE ARG A 28 1.969 -18.412 -13.612 1.00 0.00 N ATOM 439 CZ ARG A 28 1.315 -19.518 -13.829 1.00 0.00 C ATOM 440 NH1 ARG A 28 1.935 -20.516 -14.397 1.00 0.00 N ATOM 441 NH2 ARG A 28 0.062 -19.588 -13.474 1.00 0.00 N ATOM 0 H ARG A 28 3.224 -13.963 -12.924 1.00 0.00 H new ATOM 0 HA ARG A 28 4.720 -16.360 -13.628 1.00 0.00 H new ATOM 0 HB2 ARG A 28 3.078 -14.295 -15.209 1.00 0.00 H new ATOM 0 HB3 ARG A 28 3.755 -15.734 -15.944 1.00 0.00 H new ATOM 0 HG2 ARG A 28 2.042 -15.966 -13.439 1.00 0.00 H new ATOM 0 HG3 ARG A 28 1.282 -15.822 -15.012 1.00 0.00 H new ATOM 0 HD2 ARG A 28 1.958 -17.935 -15.684 1.00 0.00 H new ATOM 0 HD3 ARG A 28 3.527 -17.789 -14.918 1.00 0.00 H new ATOM 0 HE ARG A 28 2.142 -18.094 -12.658 1.00 0.00 H new ATOM 0 HH11 ARG A 28 2.915 -20.422 -14.663 1.00 0.00 H new ATOM 0 HH12 ARG A 28 1.439 -21.390 -14.575 1.00 0.00 H new ATOM 0 HH21 ARG A 28 -0.389 -18.786 -13.035 1.00 0.00 H new ATOM 0 HH22 ARG A 28 -0.467 -20.445 -13.636 1.00 0.00 H new ATOM 455 N ASP A 29 6.372 -13.855 -13.806 1.00 0.00 N ATOM 456 CA ASP A 29 7.604 -13.209 -14.319 1.00 0.00 C ATOM 457 C ASP A 29 8.720 -14.232 -14.517 1.00 0.00 C ATOM 458 O ASP A 29 9.877 -13.875 -14.615 1.00 0.00 O ATOM 459 CB ASP A 29 8.056 -12.166 -13.286 1.00 0.00 C ATOM 460 CG ASP A 29 8.948 -12.837 -12.240 1.00 0.00 C ATOM 461 OD1 ASP A 29 8.388 -13.570 -11.440 1.00 0.00 O ATOM 462 OD2 ASP A 29 10.140 -12.581 -12.297 1.00 0.00 O ATOM 0 H ASP A 29 6.081 -13.565 -12.873 1.00 0.00 H new ATOM 0 HA ASP A 29 7.393 -12.746 -15.283 1.00 0.00 H new ATOM 0 HB2 ASP A 29 8.600 -11.361 -13.780 1.00 0.00 H new ATOM 0 HB3 ASP A 29 7.188 -11.716 -12.804 1.00 0.00 H new ATOM 467 N LYS A 30 8.344 -15.489 -14.572 1.00 0.00 N ATOM 468 CA LYS A 30 9.358 -16.561 -14.761 1.00 0.00 C ATOM 469 C LYS A 30 9.244 -17.193 -16.146 1.00 0.00 C ATOM 470 O LYS A 30 10.163 -17.841 -16.605 1.00 0.00 O ATOM 471 CB LYS A 30 9.101 -17.650 -13.709 1.00 0.00 C ATOM 472 CG LYS A 30 9.556 -17.146 -12.338 1.00 0.00 C ATOM 473 CD LYS A 30 9.531 -18.311 -11.348 1.00 0.00 C ATOM 474 CE LYS A 30 8.122 -18.909 -11.315 1.00 0.00 C ATOM 475 NZ LYS A 30 8.017 -20.054 -12.265 1.00 0.00 N ATOM 0 H LYS A 30 7.380 -15.812 -14.494 1.00 0.00 H new ATOM 0 HA LYS A 30 10.353 -16.128 -14.658 1.00 0.00 H new ATOM 0 HB2 LYS A 30 8.041 -17.903 -13.683 1.00 0.00 H new ATOM 0 HB3 LYS A 30 9.640 -18.560 -13.972 1.00 0.00 H new ATOM 0 HG2 LYS A 30 10.561 -16.729 -12.404 1.00 0.00 H new ATOM 0 HG3 LYS A 30 8.901 -16.345 -11.994 1.00 0.00 H new ATOM 0 HD2 LYS A 30 10.255 -19.071 -11.642 1.00 0.00 H new ATOM 0 HD3 LYS A 30 9.817 -17.966 -10.354 1.00 0.00 H new ATOM 0 HE2 LYS A 30 7.887 -19.244 -10.305 1.00 0.00 H new ATOM 0 HE3 LYS A 30 7.390 -18.144 -11.576 1.00 0.00 H new ATOM 0 HZ1 LYS A 30 7.272 -19.858 -12.963 1.00 0.00 H new ATOM 0 HZ2 LYS A 30 8.925 -20.183 -12.755 1.00 0.00 H new ATOM 0 HZ3 LYS A 30 7.781 -20.920 -11.740 1.00 0.00 H new ATOM 489 N GLU A 31 8.120 -16.995 -16.793 1.00 0.00 N ATOM 490 CA GLU A 31 7.956 -17.592 -18.149 1.00 0.00 C ATOM 491 C GLU A 31 8.406 -16.630 -19.242 1.00 0.00 C ATOM 492 O GLU A 31 9.110 -17.015 -20.154 1.00 0.00 O ATOM 493 CB GLU A 31 6.469 -17.923 -18.372 1.00 0.00 C ATOM 494 CG GLU A 31 5.604 -16.862 -17.698 1.00 0.00 C ATOM 495 CD GLU A 31 4.211 -16.869 -18.328 1.00 0.00 C ATOM 496 OE1 GLU A 31 3.517 -17.845 -18.097 1.00 0.00 O ATOM 497 OE2 GLU A 31 3.918 -15.896 -19.003 1.00 0.00 O ATOM 0 H GLU A 31 7.326 -16.457 -16.447 1.00 0.00 H new ATOM 0 HA GLU A 31 8.572 -18.490 -18.201 1.00 0.00 H new ATOM 0 HB2 GLU A 31 6.250 -17.961 -19.439 1.00 0.00 H new ATOM 0 HB3 GLU A 31 6.240 -18.907 -17.964 1.00 0.00 H new ATOM 0 HG2 GLU A 31 5.533 -17.060 -16.629 1.00 0.00 H new ATOM 0 HG3 GLU A 31 6.061 -15.879 -17.810 1.00 0.00 H new ATOM 504 N THR A 32 7.998 -15.398 -19.135 1.00 0.00 N ATOM 505 CA THR A 32 8.399 -14.411 -20.168 1.00 0.00 C ATOM 506 C THR A 32 8.258 -12.992 -19.648 1.00 0.00 C ATOM 507 O THR A 32 7.535 -12.747 -18.702 1.00 0.00 O ATOM 508 CB THR A 32 7.459 -14.580 -21.366 1.00 0.00 C ATOM 509 OG1 THR A 32 8.073 -13.880 -22.428 1.00 0.00 O ATOM 510 CG2 THR A 32 6.137 -13.838 -21.127 1.00 0.00 C ATOM 0 H THR A 32 7.410 -15.036 -18.384 1.00 0.00 H new ATOM 0 HA THR A 32 9.440 -14.581 -20.442 1.00 0.00 H new ATOM 0 HB THR A 32 7.277 -15.639 -21.547 1.00 0.00 H new ATOM 0 HG1 THR A 32 7.517 -13.952 -23.232 1.00 0.00 H new ATOM 0 HG21 THR A 32 5.484 -13.971 -21.990 1.00 0.00 H new ATOM 0 HG22 THR A 32 5.650 -14.239 -20.238 1.00 0.00 H new ATOM 0 HG23 THR A 32 6.337 -12.776 -20.983 1.00 0.00 H new ATOM 518 N LYS A 33 8.957 -12.073 -20.265 1.00 0.00 N ATOM 519 CA LYS A 33 8.852 -10.675 -19.801 1.00 0.00 C ATOM 520 C LYS A 33 7.387 -10.324 -19.647 1.00 0.00 C ATOM 521 O LYS A 33 6.679 -10.179 -20.625 1.00 0.00 O ATOM 522 CB LYS A 33 9.485 -9.751 -20.855 1.00 0.00 C ATOM 523 CG LYS A 33 10.013 -8.492 -20.165 1.00 0.00 C ATOM 524 CD LYS A 33 10.709 -7.607 -21.201 1.00 0.00 C ATOM 525 CE LYS A 33 12.168 -8.046 -21.333 1.00 0.00 C ATOM 526 NZ LYS A 33 13.021 -7.315 -20.355 1.00 0.00 N ATOM 0 H LYS A 33 9.582 -12.234 -21.055 1.00 0.00 H new ATOM 0 HA LYS A 33 9.367 -10.554 -18.848 1.00 0.00 H new ATOM 0 HB2 LYS A 33 10.297 -10.267 -21.368 1.00 0.00 H new ATOM 0 HB3 LYS A 33 8.748 -9.484 -21.612 1.00 0.00 H new ATOM 0 HG2 LYS A 33 9.193 -7.948 -19.696 1.00 0.00 H new ATOM 0 HG3 LYS A 33 10.710 -8.762 -19.372 1.00 0.00 H new ATOM 0 HD2 LYS A 33 10.204 -7.686 -22.164 1.00 0.00 H new ATOM 0 HD3 LYS A 33 10.657 -6.561 -20.898 1.00 0.00 H new ATOM 0 HE2 LYS A 33 12.248 -9.120 -21.164 1.00 0.00 H new ATOM 0 HE3 LYS A 33 12.521 -7.856 -22.347 1.00 0.00 H new ATOM 0 HZ1 LYS A 33 14.009 -7.624 -20.457 1.00 0.00 H new ATOM 0 HZ2 LYS A 33 12.958 -6.293 -20.535 1.00 0.00 H new ATOM 0 HZ3 LYS A 33 12.693 -7.517 -19.389 1.00 0.00 H new ATOM 540 N VAL A 34 6.955 -10.193 -18.424 1.00 0.00 N ATOM 541 CA VAL A 34 5.532 -9.857 -18.187 1.00 0.00 C ATOM 542 C VAL A 34 5.326 -8.373 -17.905 1.00 0.00 C ATOM 543 O VAL A 34 6.019 -7.777 -17.104 1.00 0.00 O ATOM 544 CB VAL A 34 5.053 -10.667 -16.969 1.00 0.00 C ATOM 545 CG1 VAL A 34 5.807 -10.205 -15.724 1.00 0.00 C ATOM 546 CG2 VAL A 34 3.559 -10.433 -16.762 1.00 0.00 C ATOM 0 H VAL A 34 7.525 -10.304 -17.586 1.00 0.00 H new ATOM 0 HA VAL A 34 4.965 -10.100 -19.086 1.00 0.00 H new ATOM 0 HB VAL A 34 5.241 -11.727 -17.141 1.00 0.00 H new ATOM 0 HG11 VAL A 34 5.469 -10.778 -14.860 1.00 0.00 H new ATOM 0 HG12 VAL A 34 6.876 -10.361 -15.867 1.00 0.00 H new ATOM 0 HG13 VAL A 34 5.615 -9.146 -15.555 1.00 0.00 H new ATOM 0 HG21 VAL A 34 3.217 -11.006 -15.900 1.00 0.00 H new ATOM 0 HG22 VAL A 34 3.377 -9.372 -16.588 1.00 0.00 H new ATOM 0 HG23 VAL A 34 3.014 -10.754 -17.650 1.00 0.00 H new ATOM 556 N PHE A 35 4.359 -7.814 -18.583 1.00 0.00 N ATOM 557 CA PHE A 35 4.042 -6.383 -18.412 1.00 0.00 C ATOM 558 C PHE A 35 2.883 -6.252 -17.433 1.00 0.00 C ATOM 559 O PHE A 35 2.141 -7.203 -17.230 1.00 0.00 O ATOM 560 CB PHE A 35 3.617 -5.826 -19.780 1.00 0.00 C ATOM 561 CG PHE A 35 4.863 -5.569 -20.660 1.00 0.00 C ATOM 562 CD1 PHE A 35 6.091 -6.143 -20.349 1.00 0.00 C ATOM 563 CD2 PHE A 35 4.772 -4.762 -21.784 1.00 0.00 C ATOM 564 CE1 PHE A 35 7.194 -5.911 -21.146 1.00 0.00 C ATOM 565 CE2 PHE A 35 5.881 -4.535 -22.576 1.00 0.00 C ATOM 566 CZ PHE A 35 7.088 -5.108 -22.256 1.00 0.00 C ATOM 0 H PHE A 35 3.771 -8.304 -19.257 1.00 0.00 H new ATOM 0 HA PHE A 35 4.905 -5.836 -18.031 1.00 0.00 H new ATOM 0 HB2 PHE A 35 2.950 -6.531 -20.277 1.00 0.00 H new ATOM 0 HB3 PHE A 35 3.059 -4.899 -19.647 1.00 0.00 H new ATOM 0 HD1 PHE A 35 6.182 -6.775 -19.478 1.00 0.00 H new ATOM 0 HD2 PHE A 35 3.827 -4.307 -22.042 1.00 0.00 H new ATOM 0 HE1 PHE A 35 8.143 -6.362 -20.896 1.00 0.00 H new ATOM 0 HE2 PHE A 35 5.799 -3.905 -23.449 1.00 0.00 H new ATOM 0 HZ PHE A 35 7.953 -4.927 -22.877 1.00 0.00 H new ATOM 576 N TYR A 36 2.722 -5.080 -16.858 1.00 0.00 N ATOM 577 CA TYR A 36 1.605 -4.897 -15.882 1.00 0.00 C ATOM 578 C TYR A 36 0.426 -4.105 -16.431 1.00 0.00 C ATOM 579 O TYR A 36 0.505 -3.464 -17.461 1.00 0.00 O ATOM 580 CB TYR A 36 2.169 -4.140 -14.685 1.00 0.00 C ATOM 581 CG TYR A 36 3.039 -5.084 -13.866 1.00 0.00 C ATOM 582 CD1 TYR A 36 2.465 -5.988 -13.000 1.00 0.00 C ATOM 583 CD2 TYR A 36 4.414 -5.043 -13.976 1.00 0.00 C ATOM 584 CE1 TYR A 36 3.248 -6.833 -12.256 1.00 0.00 C ATOM 585 CE2 TYR A 36 5.198 -5.890 -13.231 1.00 0.00 C ATOM 586 CZ TYR A 36 4.624 -6.790 -12.365 1.00 0.00 C ATOM 587 OH TYR A 36 5.406 -7.608 -11.593 1.00 0.00 O ATOM 0 H TYR A 36 3.305 -4.259 -17.020 1.00 0.00 H new ATOM 0 HA TYR A 36 1.225 -5.887 -15.629 1.00 0.00 H new ATOM 0 HB2 TYR A 36 2.755 -3.285 -15.022 1.00 0.00 H new ATOM 0 HB3 TYR A 36 1.358 -3.748 -14.071 1.00 0.00 H new ATOM 0 HD1 TYR A 36 1.390 -6.032 -12.906 1.00 0.00 H new ATOM 0 HD2 TYR A 36 4.877 -4.340 -14.653 1.00 0.00 H new ATOM 0 HE1 TYR A 36 2.785 -7.537 -11.580 1.00 0.00 H new ATOM 0 HE2 TYR A 36 6.273 -5.848 -13.326 1.00 0.00 H new ATOM 0 HH TYR A 36 6.056 -8.071 -12.162 1.00 0.00 H new ATOM 597 N SER A 37 -0.655 -4.182 -15.694 1.00 0.00 N ATOM 598 CA SER A 37 -1.897 -3.471 -16.075 1.00 0.00 C ATOM 599 C SER A 37 -2.697 -3.167 -14.811 1.00 0.00 C ATOM 600 O SER A 37 -2.668 -3.936 -13.867 1.00 0.00 O ATOM 601 CB SER A 37 -2.729 -4.382 -16.992 1.00 0.00 C ATOM 602 OG SER A 37 -2.010 -5.605 -17.010 1.00 0.00 O ATOM 0 H SER A 37 -0.722 -4.720 -14.830 1.00 0.00 H new ATOM 0 HA SER A 37 -1.656 -2.543 -16.594 1.00 0.00 H new ATOM 0 HB2 SER A 37 -3.739 -4.519 -16.607 1.00 0.00 H new ATOM 0 HB3 SER A 37 -2.824 -3.961 -17.993 1.00 0.00 H new ATOM 0 HG SER A 37 -1.887 -5.925 -16.092 1.00 0.00 H new ATOM 608 N ILE A 38 -3.399 -2.058 -14.812 1.00 0.00 N ATOM 609 CA ILE A 38 -4.206 -1.692 -13.607 1.00 0.00 C ATOM 610 C ILE A 38 -5.616 -1.250 -13.977 1.00 0.00 C ATOM 611 O ILE A 38 -5.830 -0.609 -14.987 1.00 0.00 O ATOM 612 CB ILE A 38 -3.483 -0.529 -12.898 1.00 0.00 C ATOM 613 CG1 ILE A 38 -4.487 0.388 -12.192 1.00 0.00 C ATOM 614 CG2 ILE A 38 -2.734 0.294 -13.956 1.00 0.00 C ATOM 615 CD1 ILE A 38 -3.729 1.491 -11.455 1.00 0.00 C ATOM 0 H ILE A 38 -3.447 -1.397 -15.588 1.00 0.00 H new ATOM 0 HA ILE A 38 -4.297 -2.567 -12.963 1.00 0.00 H new ATOM 0 HB ILE A 38 -2.797 -0.939 -12.157 1.00 0.00 H new ATOM 0 HG12 ILE A 38 -5.172 0.824 -12.919 1.00 0.00 H new ATOM 0 HG13 ILE A 38 -5.091 -0.187 -11.490 1.00 0.00 H new ATOM 0 HG21 ILE A 38 -2.216 1.122 -13.473 1.00 0.00 H new ATOM 0 HG22 ILE A 38 -2.008 -0.341 -14.464 1.00 0.00 H new ATOM 0 HG23 ILE A 38 -3.445 0.686 -14.683 1.00 0.00 H new ATOM 0 HD11 ILE A 38 -4.439 2.146 -10.951 1.00 0.00 H new ATOM 0 HD12 ILE A 38 -3.062 1.044 -10.718 1.00 0.00 H new ATOM 0 HD13 ILE A 38 -3.145 2.071 -12.169 1.00 0.00 H new ATOM 627 N THR A 39 -6.553 -1.609 -13.142 1.00 0.00 N ATOM 628 CA THR A 39 -7.959 -1.230 -13.404 1.00 0.00 C ATOM 629 C THR A 39 -8.779 -1.337 -12.122 1.00 0.00 C ATOM 630 O THR A 39 -8.371 -1.992 -11.182 1.00 0.00 O ATOM 631 CB THR A 39 -8.539 -2.184 -14.451 1.00 0.00 C ATOM 632 OG1 THR A 39 -9.933 -1.957 -14.432 1.00 0.00 O ATOM 633 CG2 THR A 39 -8.378 -3.643 -14.011 1.00 0.00 C ATOM 0 H THR A 39 -6.399 -2.149 -12.290 1.00 0.00 H new ATOM 0 HA THR A 39 -7.996 -0.202 -13.765 1.00 0.00 H new ATOM 0 HB THR A 39 -8.049 -2.020 -15.411 1.00 0.00 H new ATOM 0 HG1 THR A 39 -10.368 -2.541 -15.088 1.00 0.00 H new ATOM 0 HG21 THR A 39 -8.798 -4.301 -14.772 1.00 0.00 H new ATOM 0 HG22 THR A 39 -7.320 -3.869 -13.880 1.00 0.00 H new ATOM 0 HG23 THR A 39 -8.902 -3.798 -13.068 1.00 0.00 H new ATOM 641 N GLY A 40 -9.911 -0.675 -12.099 1.00 0.00 N ATOM 642 CA GLY A 40 -10.775 -0.731 -10.876 1.00 0.00 C ATOM 643 C GLY A 40 -10.739 0.595 -10.112 1.00 0.00 C ATOM 644 O GLY A 40 -10.184 1.577 -10.575 1.00 0.00 O ATOM 0 H GLY A 40 -10.271 -0.105 -12.864 1.00 0.00 H new ATOM 0 HA2 GLY A 40 -11.801 -0.961 -11.163 1.00 0.00 H new ATOM 0 HA3 GLY A 40 -10.437 -1.538 -10.226 1.00 0.00 H new ATOM 648 N GLN A 41 -11.342 0.590 -8.950 1.00 0.00 N ATOM 649 CA GLN A 41 -11.368 1.822 -8.126 1.00 0.00 C ATOM 650 C GLN A 41 -9.968 2.388 -7.960 1.00 0.00 C ATOM 651 O GLN A 41 -9.183 1.876 -7.190 1.00 0.00 O ATOM 652 CB GLN A 41 -11.921 1.452 -6.736 1.00 0.00 C ATOM 653 CG GLN A 41 -11.779 2.648 -5.794 1.00 0.00 C ATOM 654 CD GLN A 41 -12.291 2.263 -4.405 1.00 0.00 C ATOM 655 OE1 GLN A 41 -11.527 2.081 -3.477 1.00 0.00 O ATOM 656 NE2 GLN A 41 -13.575 2.129 -4.220 1.00 0.00 N ATOM 0 H GLN A 41 -11.815 -0.216 -8.542 1.00 0.00 H new ATOM 0 HA GLN A 41 -11.991 2.572 -8.615 1.00 0.00 H new ATOM 0 HB2 GLN A 41 -12.968 1.161 -6.816 1.00 0.00 H new ATOM 0 HB3 GLN A 41 -11.381 0.594 -6.335 1.00 0.00 H new ATOM 0 HG2 GLN A 41 -10.736 2.958 -5.736 1.00 0.00 H new ATOM 0 HG3 GLN A 41 -12.343 3.498 -6.179 1.00 0.00 H new ATOM 0 HE21 GLN A 41 -14.220 2.281 -4.995 1.00 0.00 H new ATOM 0 HE22 GLN A 41 -13.934 1.873 -3.300 1.00 0.00 H new ATOM 665 N GLY A 42 -9.684 3.444 -8.680 1.00 0.00 N ATOM 666 CA GLY A 42 -8.324 4.061 -8.573 1.00 0.00 C ATOM 667 C GLY A 42 -7.773 4.390 -9.963 1.00 0.00 C ATOM 668 O GLY A 42 -6.823 5.152 -10.100 1.00 0.00 O ATOM 0 H GLY A 42 -10.324 3.901 -9.329 1.00 0.00 H new ATOM 0 HA2 GLY A 42 -8.376 4.969 -7.972 1.00 0.00 H new ATOM 0 HA3 GLY A 42 -7.648 3.378 -8.060 1.00 0.00 H new ATOM 672 N ALA A 43 -8.373 3.798 -10.961 1.00 0.00 N ATOM 673 CA ALA A 43 -7.920 4.045 -12.353 1.00 0.00 C ATOM 674 C ALA A 43 -9.110 4.376 -13.235 1.00 0.00 C ATOM 675 O ALA A 43 -9.147 5.413 -13.865 1.00 0.00 O ATOM 676 CB ALA A 43 -7.246 2.768 -12.880 1.00 0.00 C ATOM 0 H ALA A 43 -9.158 3.154 -10.868 1.00 0.00 H new ATOM 0 HA ALA A 43 -7.221 4.881 -12.368 1.00 0.00 H new ATOM 0 HB1 ALA A 43 -6.907 2.931 -13.903 1.00 0.00 H new ATOM 0 HB2 ALA A 43 -6.392 2.520 -12.249 1.00 0.00 H new ATOM 0 HB3 ALA A 43 -7.961 1.945 -12.862 1.00 0.00 H new ATOM 682 N ASP A 44 -10.068 3.481 -13.253 1.00 0.00 N ATOM 683 CA ASP A 44 -11.278 3.707 -14.084 1.00 0.00 C ATOM 684 C ASP A 44 -12.491 3.986 -13.203 1.00 0.00 C ATOM 685 O ASP A 44 -13.424 4.645 -13.621 1.00 0.00 O ATOM 686 CB ASP A 44 -11.545 2.436 -14.909 1.00 0.00 C ATOM 687 CG ASP A 44 -11.915 1.287 -13.968 1.00 0.00 C ATOM 688 OD1 ASP A 44 -11.411 1.313 -12.857 1.00 0.00 O ATOM 689 OD2 ASP A 44 -12.679 0.448 -14.416 1.00 0.00 O ATOM 0 H ASP A 44 -10.059 2.607 -12.727 1.00 0.00 H new ATOM 0 HA ASP A 44 -11.111 4.566 -14.733 1.00 0.00 H new ATOM 0 HB2 ASP A 44 -12.353 2.613 -15.619 1.00 0.00 H new ATOM 0 HB3 ASP A 44 -10.661 2.174 -15.490 1.00 0.00 H new ATOM 694 N LYS A 45 -12.453 3.479 -11.987 1.00 0.00 N ATOM 695 CA LYS A 45 -13.597 3.703 -11.059 1.00 0.00 C ATOM 696 C LYS A 45 -13.258 4.790 -10.019 1.00 0.00 C ATOM 697 O LYS A 45 -12.112 4.939 -9.621 1.00 0.00 O ATOM 698 CB LYS A 45 -13.875 2.383 -10.321 1.00 0.00 C ATOM 699 CG LYS A 45 -15.083 1.695 -10.964 1.00 0.00 C ATOM 700 CD LYS A 45 -14.684 1.160 -12.343 1.00 0.00 C ATOM 701 CE LYS A 45 -15.872 0.414 -12.957 1.00 0.00 C ATOM 702 NZ LYS A 45 -16.780 1.364 -13.661 1.00 0.00 N ATOM 0 H LYS A 45 -11.684 2.927 -11.607 1.00 0.00 H new ATOM 0 HA LYS A 45 -14.465 4.030 -11.631 1.00 0.00 H new ATOM 0 HB2 LYS A 45 -13.001 1.733 -10.371 1.00 0.00 H new ATOM 0 HB3 LYS A 45 -14.069 2.576 -9.266 1.00 0.00 H new ATOM 0 HG2 LYS A 45 -15.431 0.879 -10.331 1.00 0.00 H new ATOM 0 HG3 LYS A 45 -15.909 2.399 -11.059 1.00 0.00 H new ATOM 0 HD2 LYS A 45 -14.381 1.982 -12.991 1.00 0.00 H new ATOM 0 HD3 LYS A 45 -13.827 0.492 -12.253 1.00 0.00 H new ATOM 0 HE2 LYS A 45 -15.512 -0.340 -13.657 1.00 0.00 H new ATOM 0 HE3 LYS A 45 -16.421 -0.112 -12.176 1.00 0.00 H new ATOM 0 HZ1 LYS A 45 -17.580 0.841 -14.071 1.00 0.00 H new ATOM 0 HZ2 LYS A 45 -17.138 2.068 -12.985 1.00 0.00 H new ATOM 0 HZ3 LYS A 45 -16.257 1.847 -14.419 1.00 0.00 H new ATOM 716 N PRO A 46 -14.286 5.528 -9.589 1.00 0.00 N ATOM 717 CA PRO A 46 -14.113 6.599 -8.600 1.00 0.00 C ATOM 718 C PRO A 46 -13.433 6.082 -7.313 1.00 0.00 C ATOM 719 O PRO A 46 -13.917 5.152 -6.700 1.00 0.00 O ATOM 720 CB PRO A 46 -15.554 7.058 -8.267 1.00 0.00 C ATOM 721 CG PRO A 46 -16.527 6.240 -9.170 1.00 0.00 C ATOM 722 CD PRO A 46 -15.667 5.323 -10.052 1.00 0.00 C ATOM 0 HA PRO A 46 -13.481 7.397 -8.989 1.00 0.00 H new ATOM 0 HB2 PRO A 46 -15.776 6.890 -7.213 1.00 0.00 H new ATOM 0 HB3 PRO A 46 -15.668 8.126 -8.450 1.00 0.00 H new ATOM 0 HG2 PRO A 46 -17.215 5.653 -8.561 1.00 0.00 H new ATOM 0 HG3 PRO A 46 -17.133 6.906 -9.784 1.00 0.00 H new ATOM 0 HD2 PRO A 46 -15.967 4.280 -9.947 1.00 0.00 H new ATOM 0 HD3 PRO A 46 -15.771 5.580 -11.106 1.00 0.00 H new ATOM 730 N PRO A 47 -12.314 6.705 -6.912 1.00 0.00 N ATOM 731 CA PRO A 47 -11.695 7.842 -7.622 1.00 0.00 C ATOM 732 C PRO A 47 -11.158 7.424 -8.992 1.00 0.00 C ATOM 733 O PRO A 47 -10.274 6.597 -9.091 1.00 0.00 O ATOM 734 CB PRO A 47 -10.516 8.272 -6.723 1.00 0.00 C ATOM 735 CG PRO A 47 -10.467 7.290 -5.515 1.00 0.00 C ATOM 736 CD PRO A 47 -11.620 6.289 -5.691 1.00 0.00 C ATOM 0 HA PRO A 47 -12.419 8.638 -7.796 1.00 0.00 H new ATOM 0 HB2 PRO A 47 -9.579 8.243 -7.279 1.00 0.00 H new ATOM 0 HB3 PRO A 47 -10.650 9.297 -6.379 1.00 0.00 H new ATOM 0 HG2 PRO A 47 -9.509 6.771 -5.481 1.00 0.00 H new ATOM 0 HG3 PRO A 47 -10.569 7.832 -4.575 1.00 0.00 H new ATOM 0 HD2 PRO A 47 -11.245 5.270 -5.780 1.00 0.00 H new ATOM 0 HD3 PRO A 47 -12.291 6.308 -4.832 1.00 0.00 H new ATOM 744 N VAL A 48 -11.707 8.007 -10.019 1.00 0.00 N ATOM 745 CA VAL A 48 -11.257 7.668 -11.385 1.00 0.00 C ATOM 746 C VAL A 48 -9.985 8.418 -11.770 1.00 0.00 C ATOM 747 O VAL A 48 -9.994 9.622 -11.931 1.00 0.00 O ATOM 748 CB VAL A 48 -12.377 8.062 -12.362 1.00 0.00 C ATOM 749 CG1 VAL A 48 -13.039 9.349 -11.866 1.00 0.00 C ATOM 750 CG2 VAL A 48 -11.782 8.301 -13.753 1.00 0.00 C ATOM 0 H VAL A 48 -12.449 8.705 -9.966 1.00 0.00 H new ATOM 0 HA VAL A 48 -11.039 6.601 -11.425 1.00 0.00 H new ATOM 0 HB VAL A 48 -13.115 7.262 -12.418 1.00 0.00 H new ATOM 0 HG11 VAL A 48 -13.835 9.637 -12.553 1.00 0.00 H new ATOM 0 HG12 VAL A 48 -13.458 9.183 -10.874 1.00 0.00 H new ATOM 0 HG13 VAL A 48 -12.296 10.145 -11.818 1.00 0.00 H new ATOM 0 HG21 VAL A 48 -12.576 8.580 -14.445 1.00 0.00 H new ATOM 0 HG22 VAL A 48 -11.047 9.104 -13.701 1.00 0.00 H new ATOM 0 HG23 VAL A 48 -11.299 7.389 -14.104 1.00 0.00 H new ATOM 760 N GLY A 49 -8.911 7.692 -11.904 1.00 0.00 N ATOM 761 CA GLY A 49 -7.628 8.350 -12.283 1.00 0.00 C ATOM 762 C GLY A 49 -6.864 8.888 -11.065 1.00 0.00 C ATOM 763 O GLY A 49 -6.871 10.076 -10.805 1.00 0.00 O ATOM 0 H GLY A 49 -8.864 6.682 -11.769 1.00 0.00 H new ATOM 0 HA2 GLY A 49 -7.000 7.636 -12.816 1.00 0.00 H new ATOM 0 HA3 GLY A 49 -7.833 9.170 -12.971 1.00 0.00 H new ATOM 767 N VAL A 50 -6.223 8.004 -10.345 1.00 0.00 N ATOM 768 CA VAL A 50 -5.452 8.448 -9.150 1.00 0.00 C ATOM 769 C VAL A 50 -4.170 7.635 -9.038 1.00 0.00 C ATOM 770 O VAL A 50 -3.149 8.142 -8.603 1.00 0.00 O ATOM 771 CB VAL A 50 -6.298 8.254 -7.878 1.00 0.00 C ATOM 772 CG1 VAL A 50 -7.058 6.945 -7.963 1.00 0.00 C ATOM 773 CG2 VAL A 50 -5.370 8.216 -6.660 1.00 0.00 C ATOM 0 H VAL A 50 -6.201 7.002 -10.532 1.00 0.00 H new ATOM 0 HA VAL A 50 -5.204 9.504 -9.257 1.00 0.00 H new ATOM 0 HB VAL A 50 -7.005 9.078 -7.784 1.00 0.00 H new ATOM 0 HG11 VAL A 50 -7.655 6.812 -7.061 1.00 0.00 H new ATOM 0 HG12 VAL A 50 -7.714 6.961 -8.833 1.00 0.00 H new ATOM 0 HG13 VAL A 50 -6.352 6.120 -8.056 1.00 0.00 H new ATOM 0 HG21 VAL A 50 -5.962 8.079 -5.755 1.00 0.00 H new ATOM 0 HG22 VAL A 50 -4.668 7.388 -6.763 1.00 0.00 H new ATOM 0 HG23 VAL A 50 -4.818 9.154 -6.594 1.00 0.00 H new ATOM 783 N PHE A 51 -4.251 6.374 -9.439 1.00 0.00 N ATOM 784 CA PHE A 51 -3.045 5.491 -9.374 1.00 0.00 C ATOM 785 C PHE A 51 -2.667 5.003 -10.770 1.00 0.00 C ATOM 786 O PHE A 51 -3.520 4.621 -11.547 1.00 0.00 O ATOM 787 CB PHE A 51 -3.360 4.247 -8.515 1.00 0.00 C ATOM 788 CG PHE A 51 -3.657 4.656 -7.073 1.00 0.00 C ATOM 789 CD1 PHE A 51 -2.652 5.149 -6.258 1.00 0.00 C ATOM 790 CD2 PHE A 51 -4.930 4.500 -6.553 1.00 0.00 C ATOM 791 CE1 PHE A 51 -2.919 5.478 -4.945 1.00 0.00 C ATOM 792 CE2 PHE A 51 -5.192 4.831 -5.241 1.00 0.00 C ATOM 793 CZ PHE A 51 -4.189 5.318 -4.439 1.00 0.00 C ATOM 0 H PHE A 51 -5.095 5.931 -9.803 1.00 0.00 H new ATOM 0 HA PHE A 51 -2.226 6.066 -8.942 1.00 0.00 H new ATOM 0 HB2 PHE A 51 -4.216 3.716 -8.933 1.00 0.00 H new ATOM 0 HB3 PHE A 51 -2.515 3.558 -8.538 1.00 0.00 H new ATOM 0 HD1 PHE A 51 -1.655 5.277 -6.652 1.00 0.00 H new ATOM 0 HD2 PHE A 51 -5.722 4.117 -7.179 1.00 0.00 H new ATOM 0 HE1 PHE A 51 -2.131 5.861 -4.314 1.00 0.00 H new ATOM 0 HE2 PHE A 51 -6.188 4.707 -4.843 1.00 0.00 H new ATOM 0 HZ PHE A 51 -4.397 5.575 -3.411 1.00 0.00 H new ATOM 803 N ILE A 52 -1.396 5.029 -11.060 1.00 0.00 N ATOM 804 CA ILE A 52 -0.928 4.572 -12.397 1.00 0.00 C ATOM 805 C ILE A 52 0.345 3.757 -12.246 1.00 0.00 C ATOM 806 O ILE A 52 1.206 4.108 -11.469 1.00 0.00 O ATOM 807 CB ILE A 52 -0.628 5.798 -13.262 1.00 0.00 C ATOM 808 CG1 ILE A 52 0.038 6.875 -12.415 1.00 0.00 C ATOM 809 CG2 ILE A 52 -1.952 6.353 -13.812 1.00 0.00 C ATOM 810 CD1 ILE A 52 0.822 7.820 -13.329 1.00 0.00 C ATOM 0 H ILE A 52 -0.661 5.347 -10.428 1.00 0.00 H new ATOM 0 HA ILE A 52 -1.700 3.958 -12.861 1.00 0.00 H new ATOM 0 HB ILE A 52 0.035 5.513 -14.079 1.00 0.00 H new ATOM 0 HG12 ILE A 52 -0.714 7.431 -11.856 1.00 0.00 H new ATOM 0 HG13 ILE A 52 0.706 6.419 -11.684 1.00 0.00 H new ATOM 0 HG21 ILE A 52 -1.751 7.228 -14.431 1.00 0.00 H new ATOM 0 HG22 ILE A 52 -2.445 5.589 -14.413 1.00 0.00 H new ATOM 0 HG23 ILE A 52 -2.600 6.636 -12.983 1.00 0.00 H new ATOM 0 HD11 ILE A 52 1.301 8.593 -12.728 1.00 0.00 H new ATOM 0 HD12 ILE A 52 1.583 7.256 -13.868 1.00 0.00 H new ATOM 0 HD13 ILE A 52 0.141 8.285 -14.042 1.00 0.00 H new ATOM 822 N ILE A 53 0.441 2.681 -12.994 1.00 0.00 N ATOM 823 CA ILE A 53 1.661 1.823 -12.906 1.00 0.00 C ATOM 824 C ILE A 53 2.368 1.729 -14.246 1.00 0.00 C ATOM 825 O ILE A 53 1.747 1.801 -15.288 1.00 0.00 O ATOM 826 CB ILE A 53 1.227 0.420 -12.482 1.00 0.00 C ATOM 827 CG1 ILE A 53 0.479 -0.268 -13.624 1.00 0.00 C ATOM 828 CG2 ILE A 53 0.271 0.557 -11.288 1.00 0.00 C ATOM 829 CD1 ILE A 53 1.445 -1.148 -14.420 1.00 0.00 C ATOM 0 H ILE A 53 -0.268 2.364 -13.655 1.00 0.00 H new ATOM 0 HA ILE A 53 2.350 2.263 -12.185 1.00 0.00 H new ATOM 0 HB ILE A 53 2.105 -0.171 -12.220 1.00 0.00 H new ATOM 0 HG12 ILE A 53 -0.335 -0.874 -13.225 1.00 0.00 H new ATOM 0 HG13 ILE A 53 0.029 0.479 -14.278 1.00 0.00 H new ATOM 0 HG21 ILE A 53 -0.053 -0.433 -10.966 1.00 0.00 H new ATOM 0 HG22 ILE A 53 0.785 1.056 -10.466 1.00 0.00 H new ATOM 0 HG23 ILE A 53 -0.598 1.145 -11.583 1.00 0.00 H new ATOM 0 HD11 ILE A 53 0.907 -1.636 -15.233 1.00 0.00 H new ATOM 0 HD12 ILE A 53 2.243 -0.531 -14.832 1.00 0.00 H new ATOM 0 HD13 ILE A 53 1.874 -1.905 -13.763 1.00 0.00 H new ATOM 841 N GLU A 54 3.663 1.570 -14.198 1.00 0.00 N ATOM 842 CA GLU A 54 4.435 1.468 -15.461 1.00 0.00 C ATOM 843 C GLU A 54 4.330 0.061 -16.053 1.00 0.00 C ATOM 844 O GLU A 54 4.895 -0.884 -15.536 1.00 0.00 O ATOM 845 CB GLU A 54 5.900 1.777 -15.150 1.00 0.00 C ATOM 846 CG GLU A 54 6.472 2.673 -16.252 1.00 0.00 C ATOM 847 CD GLU A 54 6.585 1.872 -17.549 1.00 0.00 C ATOM 848 OE1 GLU A 54 5.576 1.295 -17.917 1.00 0.00 O ATOM 849 OE2 GLU A 54 7.674 1.884 -18.099 1.00 0.00 O ATOM 0 H GLU A 54 4.214 1.507 -13.342 1.00 0.00 H new ATOM 0 HA GLU A 54 4.033 2.174 -16.188 1.00 0.00 H new ATOM 0 HB2 GLU A 54 5.982 2.273 -14.183 1.00 0.00 H new ATOM 0 HB3 GLU A 54 6.473 0.852 -15.083 1.00 0.00 H new ATOM 0 HG2 GLU A 54 5.829 3.540 -16.402 1.00 0.00 H new ATOM 0 HG3 GLU A 54 7.451 3.050 -15.958 1.00 0.00 H new ATOM 856 N ARG A 55 3.608 -0.038 -17.132 1.00 0.00 N ATOM 857 CA ARG A 55 3.426 -1.347 -17.803 1.00 0.00 C ATOM 858 C ARG A 55 4.741 -2.127 -17.924 1.00 0.00 C ATOM 859 O ARG A 55 4.729 -3.342 -17.985 1.00 0.00 O ATOM 860 CB ARG A 55 2.892 -1.060 -19.217 1.00 0.00 C ATOM 861 CG ARG A 55 2.707 -2.371 -19.973 1.00 0.00 C ATOM 862 CD ARG A 55 2.142 -2.067 -21.362 1.00 0.00 C ATOM 863 NE ARG A 55 3.024 -1.065 -22.027 1.00 0.00 N ATOM 864 CZ ARG A 55 2.518 -0.247 -22.907 1.00 0.00 C ATOM 865 NH1 ARG A 55 1.961 0.859 -22.495 1.00 0.00 N ATOM 866 NH2 ARG A 55 2.592 -0.559 -24.172 1.00 0.00 N ATOM 0 H ARG A 55 3.131 0.744 -17.581 1.00 0.00 H new ATOM 0 HA ARG A 55 2.740 -1.955 -17.212 1.00 0.00 H new ATOM 0 HB2 ARG A 55 1.943 -0.527 -19.156 1.00 0.00 H new ATOM 0 HB3 ARG A 55 3.587 -0.414 -19.754 1.00 0.00 H new ATOM 0 HG2 ARG A 55 3.660 -2.894 -20.060 1.00 0.00 H new ATOM 0 HG3 ARG A 55 2.031 -3.029 -19.427 1.00 0.00 H new ATOM 0 HD2 ARG A 55 2.090 -2.979 -21.957 1.00 0.00 H new ATOM 0 HD3 ARG A 55 1.126 -1.681 -21.281 1.00 0.00 H new ATOM 0 HE ARG A 55 4.016 -1.020 -21.795 1.00 0.00 H new ATOM 0 HH11 ARG A 55 1.927 1.072 -21.498 1.00 0.00 H new ATOM 0 HH12 ARG A 55 1.560 1.510 -23.170 1.00 0.00 H new ATOM 0 HH21 ARG A 55 3.040 -1.430 -24.457 1.00 0.00 H new ATOM 0 HH22 ARG A 55 2.202 0.068 -24.876 1.00 0.00 H new ATOM 880 N GLU A 56 5.848 -1.422 -17.948 1.00 0.00 N ATOM 881 CA GLU A 56 7.162 -2.125 -18.069 1.00 0.00 C ATOM 882 C GLU A 56 7.849 -2.315 -16.719 1.00 0.00 C ATOM 883 O GLU A 56 7.960 -3.421 -16.227 1.00 0.00 O ATOM 884 CB GLU A 56 8.081 -1.272 -18.956 1.00 0.00 C ATOM 885 CG GLU A 56 7.489 -1.188 -20.362 1.00 0.00 C ATOM 886 CD GLU A 56 7.824 -2.470 -21.128 1.00 0.00 C ATOM 887 OE1 GLU A 56 8.365 -3.357 -20.488 1.00 0.00 O ATOM 888 OE2 GLU A 56 7.519 -2.489 -22.309 1.00 0.00 O ATOM 0 H GLU A 56 5.898 -0.405 -17.890 1.00 0.00 H new ATOM 0 HA GLU A 56 6.976 -3.112 -18.494 1.00 0.00 H new ATOM 0 HB2 GLU A 56 8.188 -0.273 -18.534 1.00 0.00 H new ATOM 0 HB3 GLU A 56 9.078 -1.711 -18.994 1.00 0.00 H new ATOM 0 HG2 GLU A 56 6.409 -1.055 -20.307 1.00 0.00 H new ATOM 0 HG3 GLU A 56 7.890 -0.321 -20.887 1.00 0.00 H new ATOM 895 N THR A 57 8.298 -1.235 -16.144 1.00 0.00 N ATOM 896 CA THR A 57 8.983 -1.337 -14.830 1.00 0.00 C ATOM 897 C THR A 57 7.992 -1.487 -13.691 1.00 0.00 C ATOM 898 O THR A 57 8.357 -1.391 -12.536 1.00 0.00 O ATOM 899 CB THR A 57 9.784 -0.053 -14.609 1.00 0.00 C ATOM 900 OG1 THR A 57 8.847 0.998 -14.731 1.00 0.00 O ATOM 901 CG2 THR A 57 10.773 0.177 -15.759 1.00 0.00 C ATOM 0 H THR A 57 8.220 -0.292 -16.526 1.00 0.00 H new ATOM 0 HA THR A 57 9.625 -2.217 -14.842 1.00 0.00 H new ATOM 0 HB THR A 57 10.311 -0.106 -13.656 1.00 0.00 H new ATOM 0 HG1 THR A 57 9.320 1.856 -14.757 1.00 0.00 H new ATOM 0 HG21 THR A 57 11.332 1.096 -15.580 1.00 0.00 H new ATOM 0 HG22 THR A 57 11.465 -0.663 -15.817 1.00 0.00 H new ATOM 0 HG23 THR A 57 10.226 0.262 -16.698 1.00 0.00 H new ATOM 909 N GLY A 58 6.760 -1.722 -14.024 1.00 0.00 N ATOM 910 CA GLY A 58 5.746 -1.877 -12.953 1.00 0.00 C ATOM 911 C GLY A 58 5.897 -0.757 -11.921 1.00 0.00 C ATOM 912 O GLY A 58 5.389 -0.848 -10.821 1.00 0.00 O ATOM 0 H GLY A 58 6.413 -1.813 -14.979 1.00 0.00 H new ATOM 0 HA2 GLY A 58 4.745 -1.853 -13.383 1.00 0.00 H new ATOM 0 HA3 GLY A 58 5.862 -2.847 -12.469 1.00 0.00 H new ATOM 916 N TRP A 59 6.610 0.275 -12.297 1.00 0.00 N ATOM 917 CA TRP A 59 6.804 1.404 -11.358 1.00 0.00 C ATOM 918 C TRP A 59 5.456 1.991 -10.962 1.00 0.00 C ATOM 919 O TRP A 59 4.801 2.636 -11.759 1.00 0.00 O ATOM 920 CB TRP A 59 7.646 2.483 -12.061 1.00 0.00 C ATOM 921 CG TRP A 59 9.005 2.591 -11.370 1.00 0.00 C ATOM 922 CD1 TRP A 59 10.166 2.344 -11.958 1.00 0.00 C ATOM 923 CD2 TRP A 59 9.174 2.925 -10.119 1.00 0.00 C ATOM 924 NE1 TRP A 59 11.068 2.549 -10.978 1.00 0.00 N ATOM 925 CE2 TRP A 59 10.512 2.923 -9.769 1.00 0.00 C ATOM 926 CE3 TRP A 59 8.218 3.256 -9.183 1.00 0.00 C ATOM 927 CZ2 TRP A 59 10.888 3.252 -8.483 1.00 0.00 C ATOM 928 CZ3 TRP A 59 8.595 3.585 -7.900 1.00 0.00 C ATOM 929 CH2 TRP A 59 9.930 3.583 -7.549 1.00 0.00 C ATOM 0 H TRP A 59 7.060 0.378 -13.207 1.00 0.00 H new ATOM 0 HA TRP A 59 7.311 1.053 -10.459 1.00 0.00 H new ATOM 0 HB2 TRP A 59 7.779 2.229 -13.113 1.00 0.00 H new ATOM 0 HB3 TRP A 59 7.130 3.443 -12.027 1.00 0.00 H new ATOM 0 HD1 TRP A 59 10.347 2.048 -12.981 1.00 0.00 H new ATOM 0 HE1 TRP A 59 12.072 2.438 -11.116 1.00 0.00 H new ATOM 0 HE3 TRP A 59 7.173 3.257 -9.456 1.00 0.00 H new ATOM 0 HZ2 TRP A 59 11.932 3.250 -8.208 1.00 0.00 H new ATOM 0 HZ3 TRP A 59 7.845 3.845 -7.167 1.00 0.00 H new ATOM 0 HH2 TRP A 59 10.224 3.841 -6.542 1.00 0.00 H new ATOM 940 N LEU A 60 5.057 1.748 -9.736 1.00 0.00 N ATOM 941 CA LEU A 60 3.752 2.287 -9.277 1.00 0.00 C ATOM 942 C LEU A 60 3.870 3.736 -8.843 1.00 0.00 C ATOM 943 O LEU A 60 4.660 4.072 -7.972 1.00 0.00 O ATOM 944 CB LEU A 60 3.260 1.454 -8.080 1.00 0.00 C ATOM 945 CG LEU A 60 1.719 1.441 -8.078 1.00 0.00 C ATOM 946 CD1 LEU A 60 1.211 0.863 -6.755 1.00 0.00 C ATOM 947 CD2 LEU A 60 1.194 2.873 -8.224 1.00 0.00 C ATOM 0 H LEU A 60 5.576 1.206 -9.046 1.00 0.00 H new ATOM 0 HA LEU A 60 3.050 2.231 -10.109 1.00 0.00 H new ATOM 0 HB2 LEU A 60 3.645 0.436 -8.146 1.00 0.00 H new ATOM 0 HB3 LEU A 60 3.634 1.877 -7.148 1.00 0.00 H new ATOM 0 HG LEU A 60 1.367 0.829 -8.909 1.00 0.00 H new ATOM 0 HD11 LEU A 60 0.121 0.855 -6.756 1.00 0.00 H new ATOM 0 HD12 LEU A 60 1.581 -0.155 -6.637 1.00 0.00 H new ATOM 0 HD13 LEU A 60 1.568 1.477 -5.929 1.00 0.00 H new ATOM 0 HD21 LEU A 60 0.104 2.863 -8.223 1.00 0.00 H new ATOM 0 HD22 LEU A 60 1.552 3.479 -7.392 1.00 0.00 H new ATOM 0 HD23 LEU A 60 1.552 3.298 -9.162 1.00 0.00 H new ATOM 959 N LYS A 61 3.070 4.563 -9.462 1.00 0.00 N ATOM 960 CA LYS A 61 3.077 6.007 -9.138 1.00 0.00 C ATOM 961 C LYS A 61 1.647 6.495 -8.952 1.00 0.00 C ATOM 962 O LYS A 61 0.718 5.856 -9.402 1.00 0.00 O ATOM 963 CB LYS A 61 3.703 6.784 -10.321 1.00 0.00 C ATOM 964 CG LYS A 61 4.805 5.943 -10.983 1.00 0.00 C ATOM 965 CD LYS A 61 5.144 6.552 -12.345 1.00 0.00 C ATOM 966 CE LYS A 61 5.752 7.940 -12.138 1.00 0.00 C ATOM 967 NZ LYS A 61 7.003 8.085 -12.932 1.00 0.00 N ATOM 0 H LYS A 61 2.406 4.289 -10.186 1.00 0.00 H new ATOM 0 HA LYS A 61 3.649 6.169 -8.225 1.00 0.00 H new ATOM 0 HB2 LYS A 61 2.933 7.029 -11.053 1.00 0.00 H new ATOM 0 HB3 LYS A 61 4.118 7.728 -9.967 1.00 0.00 H new ATOM 0 HG2 LYS A 61 5.692 5.919 -10.350 1.00 0.00 H new ATOM 0 HG3 LYS A 61 4.471 4.912 -11.104 1.00 0.00 H new ATOM 0 HD2 LYS A 61 5.845 5.911 -12.879 1.00 0.00 H new ATOM 0 HD3 LYS A 61 4.246 6.623 -12.959 1.00 0.00 H new ATOM 0 HE2 LYS A 61 5.035 8.705 -12.435 1.00 0.00 H new ATOM 0 HE3 LYS A 61 5.965 8.096 -11.081 1.00 0.00 H new ATOM 0 HZ1 LYS A 61 7.814 8.179 -12.288 1.00 0.00 H new ATOM 0 HZ2 LYS A 61 7.133 7.245 -13.532 1.00 0.00 H new ATOM 0 HZ3 LYS A 61 6.937 8.932 -13.532 1.00 0.00 H new ATOM 981 N VAL A 62 1.495 7.615 -8.287 1.00 0.00 N ATOM 982 CA VAL A 62 0.123 8.162 -8.062 1.00 0.00 C ATOM 983 C VAL A 62 0.019 9.584 -8.587 1.00 0.00 C ATOM 984 O VAL A 62 0.920 10.384 -8.411 1.00 0.00 O ATOM 985 CB VAL A 62 -0.172 8.164 -6.549 1.00 0.00 C ATOM 986 CG1 VAL A 62 0.520 6.967 -5.900 1.00 0.00 C ATOM 987 CG2 VAL A 62 0.360 9.453 -5.923 1.00 0.00 C ATOM 0 H VAL A 62 2.256 8.169 -7.894 1.00 0.00 H new ATOM 0 HA VAL A 62 -0.596 7.538 -8.592 1.00 0.00 H new ATOM 0 HB VAL A 62 -1.248 8.101 -6.390 1.00 0.00 H new ATOM 0 HG11 VAL A 62 0.314 6.964 -4.830 1.00 0.00 H new ATOM 0 HG12 VAL A 62 0.145 6.045 -6.344 1.00 0.00 H new ATOM 0 HG13 VAL A 62 1.596 7.036 -6.063 1.00 0.00 H new ATOM 0 HG21 VAL A 62 0.150 9.452 -4.853 1.00 0.00 H new ATOM 0 HG22 VAL A 62 1.437 9.517 -6.081 1.00 0.00 H new ATOM 0 HG23 VAL A 62 -0.127 10.311 -6.387 1.00 0.00 H new ATOM 997 N THR A 63 -1.077 9.874 -9.227 1.00 0.00 N ATOM 998 CA THR A 63 -1.263 11.235 -9.772 1.00 0.00 C ATOM 999 C THR A 63 -1.942 12.132 -8.755 1.00 0.00 C ATOM 1000 O THR A 63 -1.838 13.341 -8.826 1.00 0.00 O ATOM 1001 CB THR A 63 -2.144 11.136 -11.019 1.00 0.00 C ATOM 1002 OG1 THR A 63 -3.052 10.084 -10.754 1.00 0.00 O ATOM 1003 CG2 THR A 63 -1.326 10.645 -12.220 1.00 0.00 C ATOM 0 H THR A 63 -1.847 9.226 -9.393 1.00 0.00 H new ATOM 0 HA THR A 63 -0.290 11.662 -10.015 1.00 0.00 H new ATOM 0 HB THR A 63 -2.597 12.104 -11.232 1.00 0.00 H new ATOM 0 HG1 THR A 63 -3.652 9.969 -11.520 1.00 0.00 H new ATOM 0 HG21 THR A 63 -1.970 10.581 -13.097 1.00 0.00 H new ATOM 0 HG22 THR A 63 -0.513 11.344 -12.417 1.00 0.00 H new ATOM 0 HG23 THR A 63 -0.913 9.660 -12.001 1.00 0.00 H new ATOM 1011 N GLN A 64 -2.631 11.518 -7.820 1.00 0.00 N ATOM 1012 CA GLN A 64 -3.333 12.313 -6.776 1.00 0.00 C ATOM 1013 C GLN A 64 -3.011 11.762 -5.372 1.00 0.00 C ATOM 1014 O GLN A 64 -3.084 10.568 -5.148 1.00 0.00 O ATOM 1015 CB GLN A 64 -4.846 12.186 -7.021 1.00 0.00 C ATOM 1016 CG GLN A 64 -5.155 12.609 -8.460 1.00 0.00 C ATOM 1017 CD GLN A 64 -6.638 12.971 -8.577 1.00 0.00 C ATOM 1018 OE1 GLN A 64 -7.455 12.611 -7.626 1.00 0.00 O flip ATOM 1019 NE2 GLN A 64 -7.063 13.585 -9.536 1.00 0.00 N flip ATOM 0 H GLN A 64 -2.734 10.506 -7.740 1.00 0.00 H new ATOM 0 HA GLN A 64 -3.009 13.352 -6.829 1.00 0.00 H new ATOM 0 HB2 GLN A 64 -5.170 11.159 -6.853 1.00 0.00 H new ATOM 0 HB3 GLN A 64 -5.395 12.813 -6.318 1.00 0.00 H new ATOM 0 HG2 GLN A 64 -4.538 13.463 -8.740 1.00 0.00 H new ATOM 0 HG3 GLN A 64 -4.911 11.800 -9.149 1.00 0.00 H new ATOM 0 HE21 GLN A 64 -6.428 13.869 -10.282 1.00 0.00 H new ATOM 0 HE22 GLN A 64 -8.055 13.817 -9.595 1.00 0.00 H new ATOM 1028 N PRO A 65 -2.654 12.647 -4.440 1.00 0.00 N ATOM 1029 CA PRO A 65 -2.330 12.224 -3.081 1.00 0.00 C ATOM 1030 C PRO A 65 -3.523 11.542 -2.433 1.00 0.00 C ATOM 1031 O PRO A 65 -4.634 11.665 -2.909 1.00 0.00 O ATOM 1032 CB PRO A 65 -2.005 13.530 -2.322 1.00 0.00 C ATOM 1033 CG PRO A 65 -2.217 14.711 -3.317 1.00 0.00 C ATOM 1034 CD PRO A 65 -2.569 14.096 -4.681 1.00 0.00 C ATOM 0 HA PRO A 65 -1.504 11.513 -3.067 1.00 0.00 H new ATOM 0 HB2 PRO A 65 -2.652 13.640 -1.452 1.00 0.00 H new ATOM 0 HB3 PRO A 65 -0.979 13.516 -1.956 1.00 0.00 H new ATOM 0 HG2 PRO A 65 -3.017 15.366 -2.972 1.00 0.00 H new ATOM 0 HG3 PRO A 65 -1.316 15.320 -3.390 1.00 0.00 H new ATOM 0 HD2 PRO A 65 -3.513 14.489 -5.058 1.00 0.00 H new ATOM 0 HD3 PRO A 65 -1.807 14.327 -5.426 1.00 0.00 H new ATOM 1042 N LEU A 66 -3.281 10.836 -1.359 1.00 0.00 N ATOM 1043 CA LEU A 66 -4.407 10.146 -0.684 1.00 0.00 C ATOM 1044 C LEU A 66 -4.963 10.995 0.442 1.00 0.00 C ATOM 1045 O LEU A 66 -4.391 12.008 0.792 1.00 0.00 O ATOM 1046 CB LEU A 66 -3.894 8.823 -0.129 1.00 0.00 C ATOM 1047 CG LEU A 66 -3.761 7.850 -1.299 1.00 0.00 C ATOM 1048 CD1 LEU A 66 -2.514 8.213 -2.110 1.00 0.00 C ATOM 1049 CD2 LEU A 66 -3.629 6.431 -0.770 1.00 0.00 C ATOM 0 H LEU A 66 -2.364 10.711 -0.929 1.00 0.00 H new ATOM 0 HA LEU A 66 -5.209 9.973 -1.401 1.00 0.00 H new ATOM 0 HB2 LEU A 66 -2.932 8.962 0.364 1.00 0.00 H new ATOM 0 HB3 LEU A 66 -4.582 8.430 0.620 1.00 0.00 H new ATOM 0 HG LEU A 66 -4.645 7.915 -1.933 1.00 0.00 H new ATOM 0 HD11 LEU A 66 -2.411 7.523 -2.948 1.00 0.00 H new ATOM 0 HD12 LEU A 66 -2.609 9.231 -2.488 1.00 0.00 H new ATOM 0 HD13 LEU A 66 -1.633 8.144 -1.473 1.00 0.00 H new ATOM 0 HD21 LEU A 66 -3.534 5.738 -1.606 1.00 0.00 H new ATOM 0 HD22 LEU A 66 -2.744 6.359 -0.137 1.00 0.00 H new ATOM 0 HD23 LEU A 66 -4.514 6.176 -0.186 1.00 0.00 H new ATOM 1061 N ASP A 67 -6.081 10.576 0.983 1.00 0.00 N ATOM 1062 CA ASP A 67 -6.699 11.355 2.100 1.00 0.00 C ATOM 1063 C ASP A 67 -7.137 10.439 3.239 1.00 0.00 C ATOM 1064 O ASP A 67 -8.262 9.974 3.270 1.00 0.00 O ATOM 1065 CB ASP A 67 -7.938 12.080 1.553 1.00 0.00 C ATOM 1066 CG ASP A 67 -8.590 12.880 2.682 1.00 0.00 C ATOM 1067 OD1 ASP A 67 -8.138 12.702 3.800 1.00 0.00 O ATOM 1068 OD2 ASP A 67 -9.502 13.625 2.361 1.00 0.00 O ATOM 0 H ASP A 67 -6.588 9.736 0.703 1.00 0.00 H new ATOM 0 HA ASP A 67 -5.962 12.059 2.486 1.00 0.00 H new ATOM 0 HB2 ASP A 67 -7.655 12.744 0.737 1.00 0.00 H new ATOM 0 HB3 ASP A 67 -8.646 11.359 1.146 1.00 0.00 H new ATOM 1073 N ARG A 68 -6.243 10.206 4.162 1.00 0.00 N ATOM 1074 CA ARG A 68 -6.583 9.326 5.303 1.00 0.00 C ATOM 1075 C ARG A 68 -7.825 9.837 6.033 1.00 0.00 C ATOM 1076 O ARG A 68 -8.486 9.094 6.730 1.00 0.00 O ATOM 1077 CB ARG A 68 -5.399 9.325 6.283 1.00 0.00 C ATOM 1078 CG ARG A 68 -5.440 8.042 7.122 1.00 0.00 C ATOM 1079 CD ARG A 68 -4.434 8.160 8.267 1.00 0.00 C ATOM 1080 NE ARG A 68 -3.439 7.061 8.150 1.00 0.00 N ATOM 1081 CZ ARG A 68 -3.811 5.836 8.397 1.00 0.00 C ATOM 1082 NH1 ARG A 68 -4.425 5.163 7.462 1.00 0.00 N ATOM 1083 NH2 ARG A 68 -3.561 5.327 9.571 1.00 0.00 N ATOM 0 H ARG A 68 -5.297 10.588 4.171 1.00 0.00 H new ATOM 0 HA ARG A 68 -6.786 8.322 4.930 1.00 0.00 H new ATOM 0 HB2 ARG A 68 -4.458 9.386 5.736 1.00 0.00 H new ATOM 0 HB3 ARG A 68 -5.448 10.200 6.932 1.00 0.00 H new ATOM 0 HG2 ARG A 68 -6.443 7.884 7.518 1.00 0.00 H new ATOM 0 HG3 ARG A 68 -5.203 7.179 6.500 1.00 0.00 H new ATOM 0 HD2 ARG A 68 -3.933 9.127 8.230 1.00 0.00 H new ATOM 0 HD3 ARG A 68 -4.947 8.103 9.227 1.00 0.00 H new ATOM 0 HE ARG A 68 -2.477 7.263 7.880 1.00 0.00 H new ATOM 0 HH11 ARG A 68 -4.606 5.597 6.557 1.00 0.00 H new ATOM 0 HH12 ARG A 68 -4.724 4.203 7.637 1.00 0.00 H new ATOM 0 HH21 ARG A 68 -3.082 5.885 10.278 1.00 0.00 H new ATOM 0 HH22 ARG A 68 -3.844 4.370 9.783 1.00 0.00 H new ATOM 1097 N GLU A 69 -8.119 11.099 5.857 1.00 0.00 N ATOM 1098 CA GLU A 69 -9.312 11.670 6.534 1.00 0.00 C ATOM 1099 C GLU A 69 -10.593 11.219 5.843 1.00 0.00 C ATOM 1100 O GLU A 69 -11.630 11.106 6.467 1.00 0.00 O ATOM 1101 CB GLU A 69 -9.227 13.201 6.466 1.00 0.00 C ATOM 1102 CG GLU A 69 -7.827 13.645 6.888 1.00 0.00 C ATOM 1103 CD GLU A 69 -7.860 15.125 7.270 1.00 0.00 C ATOM 1104 OE1 GLU A 69 -7.738 15.923 6.356 1.00 0.00 O ATOM 1105 OE2 GLU A 69 -8.006 15.374 8.456 1.00 0.00 O ATOM 0 H GLU A 69 -7.588 11.750 5.279 1.00 0.00 H new ATOM 0 HA GLU A 69 -9.331 11.326 7.568 1.00 0.00 H new ATOM 0 HB2 GLU A 69 -9.441 13.545 5.454 1.00 0.00 H new ATOM 0 HB3 GLU A 69 -9.976 13.648 7.120 1.00 0.00 H new ATOM 0 HG2 GLU A 69 -7.482 13.047 7.732 1.00 0.00 H new ATOM 0 HG3 GLU A 69 -7.121 13.483 6.074 1.00 0.00 H new ATOM 1112 N ALA A 70 -10.498 10.971 4.561 1.00 0.00 N ATOM 1113 CA ALA A 70 -11.703 10.527 3.811 1.00 0.00 C ATOM 1114 C ALA A 70 -11.736 9.012 3.730 1.00 0.00 C ATOM 1115 O ALA A 70 -12.723 8.388 4.070 1.00 0.00 O ATOM 1116 CB ALA A 70 -11.627 11.096 2.387 1.00 0.00 C ATOM 0 H ALA A 70 -9.645 11.057 4.009 1.00 0.00 H new ATOM 0 HA ALA A 70 -12.600 10.879 4.321 1.00 0.00 H new ATOM 0 HB1 ALA A 70 -12.504 10.780 1.822 1.00 0.00 H new ATOM 0 HB2 ALA A 70 -11.597 12.185 2.431 1.00 0.00 H new ATOM 0 HB3 ALA A 70 -10.726 10.728 1.896 1.00 0.00 H new ATOM 1122 N ILE A 71 -10.644 8.453 3.274 1.00 0.00 N ATOM 1123 CA ILE A 71 -10.551 6.976 3.146 1.00 0.00 C ATOM 1124 C ILE A 71 -9.398 6.459 3.996 1.00 0.00 C ATOM 1125 O ILE A 71 -8.827 7.193 4.772 1.00 0.00 O ATOM 1126 CB ILE A 71 -10.271 6.635 1.679 1.00 0.00 C ATOM 1127 CG1 ILE A 71 -11.296 7.323 0.778 1.00 0.00 C ATOM 1128 CG2 ILE A 71 -10.388 5.112 1.496 1.00 0.00 C ATOM 1129 CD1 ILE A 71 -12.624 6.556 0.828 1.00 0.00 C ATOM 0 H ILE A 71 -9.810 8.964 2.984 1.00 0.00 H new ATOM 0 HA ILE A 71 -11.482 6.517 3.479 1.00 0.00 H new ATOM 0 HB ILE A 71 -9.271 6.976 1.411 1.00 0.00 H new ATOM 0 HG12 ILE A 71 -11.447 8.353 1.102 1.00 0.00 H new ATOM 0 HG13 ILE A 71 -10.926 7.363 -0.246 1.00 0.00 H new ATOM 0 HG21 ILE A 71 -10.191 4.854 0.455 1.00 0.00 H new ATOM 0 HG22 ILE A 71 -9.662 4.612 2.137 1.00 0.00 H new ATOM 0 HG23 ILE A 71 -11.394 4.789 1.766 1.00 0.00 H new ATOM 0 HD11 ILE A 71 -13.353 7.049 0.185 1.00 0.00 H new ATOM 0 HD12 ILE A 71 -12.467 5.534 0.483 1.00 0.00 H new ATOM 0 HD13 ILE A 71 -12.996 6.540 1.852 1.00 0.00 H new ATOM 1141 N ALA A 72 -9.083 5.207 3.847 1.00 0.00 N ATOM 1142 CA ALA A 72 -7.969 4.641 4.646 1.00 0.00 C ATOM 1143 C ALA A 72 -7.303 3.499 3.895 1.00 0.00 C ATOM 1144 O ALA A 72 -6.229 3.054 4.252 1.00 0.00 O ATOM 1145 CB ALA A 72 -8.544 4.102 5.965 1.00 0.00 C ATOM 0 H ALA A 72 -9.545 4.556 3.212 1.00 0.00 H new ATOM 0 HA ALA A 72 -7.228 5.418 4.834 1.00 0.00 H new ATOM 0 HB1 ALA A 72 -7.739 3.681 6.568 1.00 0.00 H new ATOM 0 HB2 ALA A 72 -9.021 4.915 6.513 1.00 0.00 H new ATOM 0 HB3 ALA A 72 -9.281 3.328 5.751 1.00 0.00 H new ATOM 1151 N LYS A 73 -7.957 3.046 2.862 1.00 0.00 N ATOM 1152 CA LYS A 73 -7.394 1.933 2.066 1.00 0.00 C ATOM 1153 C LYS A 73 -8.046 1.885 0.686 1.00 0.00 C ATOM 1154 O LYS A 73 -9.255 1.824 0.575 1.00 0.00 O ATOM 1155 CB LYS A 73 -7.688 0.625 2.830 1.00 0.00 C ATOM 1156 CG LYS A 73 -7.603 -0.584 1.887 1.00 0.00 C ATOM 1157 CD LYS A 73 -7.991 -1.846 2.667 1.00 0.00 C ATOM 1158 CE LYS A 73 -9.516 -1.899 2.823 1.00 0.00 C ATOM 1159 NZ LYS A 73 -9.950 -1.118 4.016 1.00 0.00 N ATOM 0 H LYS A 73 -8.857 3.402 2.539 1.00 0.00 H new ATOM 0 HA LYS A 73 -6.322 2.069 1.927 1.00 0.00 H new ATOM 0 HB2 LYS A 73 -6.976 0.507 3.646 1.00 0.00 H new ATOM 0 HB3 LYS A 73 -8.681 0.674 3.278 1.00 0.00 H new ATOM 0 HG2 LYS A 73 -8.270 -0.446 1.036 1.00 0.00 H new ATOM 0 HG3 LYS A 73 -6.593 -0.682 1.489 1.00 0.00 H new ATOM 0 HD2 LYS A 73 -7.637 -2.734 2.143 1.00 0.00 H new ATOM 0 HD3 LYS A 73 -7.514 -1.842 3.647 1.00 0.00 H new ATOM 0 HE2 LYS A 73 -9.992 -1.500 1.928 1.00 0.00 H new ATOM 0 HE3 LYS A 73 -9.841 -2.935 2.922 1.00 0.00 H new ATOM 0 HZ1 LYS A 73 -10.559 -1.710 4.616 1.00 0.00 H new ATOM 0 HZ2 LYS A 73 -9.114 -0.820 4.559 1.00 0.00 H new ATOM 0 HZ3 LYS A 73 -10.480 -0.278 3.707 1.00 0.00 H new ATOM 1173 N TYR A 74 -7.232 1.913 -0.340 1.00 0.00 N ATOM 1174 CA TYR A 74 -7.785 1.870 -1.724 1.00 0.00 C ATOM 1175 C TYR A 74 -7.677 0.469 -2.329 1.00 0.00 C ATOM 1176 O TYR A 74 -6.706 -0.241 -2.105 1.00 0.00 O ATOM 1177 CB TYR A 74 -6.969 2.839 -2.594 1.00 0.00 C ATOM 1178 CG TYR A 74 -7.213 4.277 -2.128 1.00 0.00 C ATOM 1179 CD1 TYR A 74 -6.802 4.688 -0.877 1.00 0.00 C ATOM 1180 CD2 TYR A 74 -7.843 5.185 -2.955 1.00 0.00 C ATOM 1181 CE1 TYR A 74 -7.014 5.987 -0.461 1.00 0.00 C ATOM 1182 CE2 TYR A 74 -8.055 6.485 -2.538 1.00 0.00 C ATOM 1183 CZ TYR A 74 -7.642 6.894 -1.286 1.00 0.00 C ATOM 1184 OH TYR A 74 -7.846 8.197 -0.868 1.00 0.00 O ATOM 0 H TYR A 74 -6.215 1.963 -0.278 1.00 0.00 H new ATOM 0 HA TYR A 74 -8.838 2.148 -1.688 1.00 0.00 H new ATOM 0 HB2 TYR A 74 -5.908 2.599 -2.526 1.00 0.00 H new ATOM 0 HB3 TYR A 74 -7.254 2.732 -3.641 1.00 0.00 H new ATOM 0 HD1 TYR A 74 -6.310 3.988 -0.218 1.00 0.00 H new ATOM 0 HD2 TYR A 74 -8.173 4.877 -3.936 1.00 0.00 H new ATOM 0 HE1 TYR A 74 -6.684 6.295 0.520 1.00 0.00 H new ATOM 0 HE2 TYR A 74 -8.547 7.186 -3.196 1.00 0.00 H new ATOM 0 HH TYR A 74 -8.302 8.700 -1.575 1.00 0.00 H new ATOM 1194 N ILE A 75 -8.686 0.103 -3.091 1.00 0.00 N ATOM 1195 CA ILE A 75 -8.689 -1.240 -3.736 1.00 0.00 C ATOM 1196 C ILE A 75 -8.351 -1.107 -5.216 1.00 0.00 C ATOM 1197 O ILE A 75 -8.910 -0.277 -5.905 1.00 0.00 O ATOM 1198 CB ILE A 75 -10.090 -1.837 -3.607 1.00 0.00 C ATOM 1199 CG1 ILE A 75 -10.381 -2.156 -2.149 1.00 0.00 C ATOM 1200 CG2 ILE A 75 -10.142 -3.146 -4.415 1.00 0.00 C ATOM 1201 CD1 ILE A 75 -11.879 -1.987 -1.889 1.00 0.00 C ATOM 0 H ILE A 75 -9.503 0.680 -3.290 1.00 0.00 H new ATOM 0 HA ILE A 75 -7.950 -1.878 -3.252 1.00 0.00 H new ATOM 0 HB ILE A 75 -10.826 -1.124 -3.979 1.00 0.00 H new ATOM 0 HG12 ILE A 75 -10.072 -3.175 -1.918 1.00 0.00 H new ATOM 0 HG13 ILE A 75 -9.809 -1.495 -1.498 1.00 0.00 H new ATOM 0 HG21 ILE A 75 -11.136 -3.585 -4.333 1.00 0.00 H new ATOM 0 HG22 ILE A 75 -9.923 -2.936 -5.462 1.00 0.00 H new ATOM 0 HG23 ILE A 75 -9.403 -3.845 -4.023 1.00 0.00 H new ATOM 0 HD11 ILE A 75 -12.095 -2.214 -0.845 1.00 0.00 H new ATOM 0 HD12 ILE A 75 -12.172 -0.960 -2.105 1.00 0.00 H new ATOM 0 HD13 ILE A 75 -12.439 -2.667 -2.532 1.00 0.00 H new ATOM 1213 N LEU A 76 -7.442 -1.926 -5.678 1.00 0.00 N ATOM 1214 CA LEU A 76 -7.054 -1.861 -7.111 1.00 0.00 C ATOM 1215 C LEU A 76 -6.878 -3.249 -7.707 1.00 0.00 C ATOM 1216 O LEU A 76 -6.279 -4.101 -7.104 1.00 0.00 O ATOM 1217 CB LEU A 76 -5.700 -1.149 -7.176 1.00 0.00 C ATOM 1218 CG LEU A 76 -5.635 -0.278 -8.419 1.00 0.00 C ATOM 1219 CD1 LEU A 76 -6.504 0.960 -8.199 1.00 0.00 C ATOM 1220 CD2 LEU A 76 -4.178 0.147 -8.653 1.00 0.00 C ATOM 0 H LEU A 76 -6.956 -2.632 -5.125 1.00 0.00 H new ATOM 0 HA LEU A 76 -7.833 -1.343 -7.670 1.00 0.00 H new ATOM 0 HB2 LEU A 76 -5.557 -0.538 -6.285 1.00 0.00 H new ATOM 0 HB3 LEU A 76 -4.894 -1.882 -7.192 1.00 0.00 H new ATOM 0 HG LEU A 76 -5.997 -0.829 -9.287 1.00 0.00 H new ATOM 0 HD11 LEU A 76 -6.466 1.594 -9.085 1.00 0.00 H new ATOM 0 HD12 LEU A 76 -7.534 0.654 -8.016 1.00 0.00 H new ATOM 0 HD13 LEU A 76 -6.133 1.517 -7.338 1.00 0.00 H new ATOM 0 HD21 LEU A 76 -4.120 0.773 -9.543 1.00 0.00 H new ATOM 0 HD22 LEU A 76 -3.820 0.709 -7.790 1.00 0.00 H new ATOM 0 HD23 LEU A 76 -3.558 -0.739 -8.791 1.00 0.00 H new ATOM 1232 N TYR A 77 -7.404 -3.444 -8.892 1.00 0.00 N ATOM 1233 CA TYR A 77 -7.270 -4.775 -9.544 1.00 0.00 C ATOM 1234 C TYR A 77 -6.131 -4.718 -10.551 1.00 0.00 C ATOM 1235 O TYR A 77 -6.070 -3.800 -11.354 1.00 0.00 O ATOM 1236 CB TYR A 77 -8.582 -5.100 -10.281 1.00 0.00 C ATOM 1237 CG TYR A 77 -9.674 -5.421 -9.258 1.00 0.00 C ATOM 1238 CD1 TYR A 77 -10.357 -4.406 -8.619 1.00 0.00 C ATOM 1239 CD2 TYR A 77 -10.001 -6.730 -8.971 1.00 0.00 C ATOM 1240 CE1 TYR A 77 -11.352 -4.697 -7.709 1.00 0.00 C ATOM 1241 CE2 TYR A 77 -10.997 -7.020 -8.061 1.00 0.00 C ATOM 1242 CZ TYR A 77 -11.680 -6.006 -7.422 1.00 0.00 C ATOM 1243 OH TYR A 77 -12.679 -6.296 -6.517 1.00 0.00 O ATOM 0 H TYR A 77 -7.915 -2.743 -9.428 1.00 0.00 H new ATOM 0 HA TYR A 77 -7.064 -5.542 -8.797 1.00 0.00 H new ATOM 0 HB2 TYR A 77 -8.884 -4.254 -10.898 1.00 0.00 H new ATOM 0 HB3 TYR A 77 -8.435 -5.947 -10.951 1.00 0.00 H new ATOM 0 HD1 TYR A 77 -10.111 -3.376 -8.833 1.00 0.00 H new ATOM 0 HD2 TYR A 77 -9.473 -7.534 -9.462 1.00 0.00 H new ATOM 0 HE1 TYR A 77 -11.879 -3.893 -7.217 1.00 0.00 H new ATOM 0 HE2 TYR A 77 -11.244 -8.049 -7.847 1.00 0.00 H new ATOM 0 HH TYR A 77 -12.777 -7.268 -6.438 1.00 0.00 H new ATOM 1253 N SER A 78 -5.245 -5.696 -10.497 1.00 0.00 N ATOM 1254 CA SER A 78 -4.095 -5.698 -11.457 1.00 0.00 C ATOM 1255 C SER A 78 -4.111 -6.913 -12.370 1.00 0.00 C ATOM 1256 O SER A 78 -4.740 -7.925 -12.076 1.00 0.00 O ATOM 1257 CB SER A 78 -2.790 -5.703 -10.650 1.00 0.00 C ATOM 1258 OG SER A 78 -2.610 -7.065 -10.285 1.00 0.00 O ATOM 0 H SER A 78 -5.271 -6.476 -9.841 1.00 0.00 H new ATOM 0 HA SER A 78 -4.175 -4.810 -12.084 1.00 0.00 H new ATOM 0 HB2 SER A 78 -1.953 -5.336 -11.244 1.00 0.00 H new ATOM 0 HB3 SER A 78 -2.863 -5.062 -9.772 1.00 0.00 H new ATOM 0 HG SER A 78 -1.787 -7.157 -9.761 1.00 0.00 H new ATOM 1264 N HIS A 79 -3.400 -6.784 -13.468 1.00 0.00 N ATOM 1265 CA HIS A 79 -3.326 -7.894 -14.449 1.00 0.00 C ATOM 1266 C HIS A 79 -1.904 -8.043 -15.002 1.00 0.00 C ATOM 1267 O HIS A 79 -1.164 -7.083 -15.068 1.00 0.00 O ATOM 1268 CB HIS A 79 -4.268 -7.549 -15.610 1.00 0.00 C ATOM 1269 CG HIS A 79 -5.659 -7.248 -15.055 1.00 0.00 C ATOM 1270 ND1 HIS A 79 -6.620 -8.043 -15.069 1.00 0.00 N ATOM 1271 CD2 HIS A 79 -6.138 -6.103 -14.448 1.00 0.00 C ATOM 1272 CE1 HIS A 79 -7.652 -7.534 -14.540 1.00 0.00 C ATOM 1273 NE2 HIS A 79 -7.443 -6.290 -14.111 1.00 0.00 N ATOM 0 H HIS A 79 -2.869 -5.950 -13.719 1.00 0.00 H new ATOM 0 HA HIS A 79 -3.607 -8.828 -13.963 1.00 0.00 H new ATOM 0 HB2 HIS A 79 -3.888 -6.687 -16.159 1.00 0.00 H new ATOM 0 HB3 HIS A 79 -4.316 -8.380 -16.314 1.00 0.00 H new ATOM 0 HD1 HIS A 79 -6.580 -8.985 -15.458 1.00 0.00 H new ATOM 0 HD2 HIS A 79 -5.568 -5.203 -14.270 1.00 0.00 H new ATOM 0 HE1 HIS A 79 -8.596 -8.051 -14.447 1.00 0.00 H new ATOM 1281 N ALA A 80 -1.552 -9.256 -15.385 1.00 0.00 N ATOM 1282 CA ALA A 80 -0.182 -9.504 -15.940 1.00 0.00 C ATOM 1283 C ALA A 80 -0.252 -10.010 -17.388 1.00 0.00 C ATOM 1284 O ALA A 80 -0.841 -11.036 -17.658 1.00 0.00 O ATOM 1285 CB ALA A 80 0.493 -10.582 -15.077 1.00 0.00 C ATOM 0 H ALA A 80 -2.154 -10.078 -15.336 1.00 0.00 H new ATOM 0 HA ALA A 80 0.380 -8.570 -15.928 1.00 0.00 H new ATOM 0 HB1 ALA A 80 1.494 -10.781 -15.461 1.00 0.00 H new ATOM 0 HB2 ALA A 80 0.562 -10.233 -14.047 1.00 0.00 H new ATOM 0 HB3 ALA A 80 -0.098 -11.498 -15.111 1.00 0.00 H new ATOM 1291 N VAL A 81 0.370 -9.280 -18.288 1.00 0.00 N ATOM 1292 CA VAL A 81 0.354 -9.698 -19.732 1.00 0.00 C ATOM 1293 C VAL A 81 1.764 -9.963 -20.231 1.00 0.00 C ATOM 1294 O VAL A 81 2.695 -9.390 -19.747 1.00 0.00 O ATOM 1295 CB VAL A 81 -0.234 -8.544 -20.553 1.00 0.00 C ATOM 1296 CG1 VAL A 81 -1.754 -8.698 -20.624 1.00 0.00 C ATOM 1297 CG2 VAL A 81 0.107 -7.221 -19.869 1.00 0.00 C ATOM 0 H VAL A 81 0.883 -8.421 -18.089 1.00 0.00 H new ATOM 0 HA VAL A 81 -0.237 -10.608 -19.835 1.00 0.00 H new ATOM 0 HB VAL A 81 0.182 -8.558 -21.560 1.00 0.00 H new ATOM 0 HG11 VAL A 81 -2.176 -7.879 -21.207 1.00 0.00 H new ATOM 0 HG12 VAL A 81 -2.002 -9.647 -21.099 1.00 0.00 H new ATOM 0 HG13 VAL A 81 -2.169 -8.677 -19.616 1.00 0.00 H new ATOM 0 HG21 VAL A 81 -0.308 -6.395 -20.447 1.00 0.00 H new ATOM 0 HG22 VAL A 81 -0.317 -7.210 -18.865 1.00 0.00 H new ATOM 0 HG23 VAL A 81 1.190 -7.112 -19.806 1.00 0.00 H new ATOM 1307 N SER A 82 1.902 -10.843 -21.190 1.00 0.00 N ATOM 1308 CA SER A 82 3.269 -11.127 -21.707 1.00 0.00 C ATOM 1309 C SER A 82 3.697 -10.061 -22.717 1.00 0.00 C ATOM 1310 O SER A 82 2.884 -9.530 -23.451 1.00 0.00 O ATOM 1311 CB SER A 82 3.269 -12.487 -22.401 1.00 0.00 C ATOM 1312 OG SER A 82 2.480 -12.276 -23.557 1.00 0.00 O ATOM 0 H SER A 82 1.143 -11.366 -21.628 1.00 0.00 H new ATOM 0 HA SER A 82 3.966 -11.124 -20.869 1.00 0.00 H new ATOM 0 HB2 SER A 82 4.279 -12.805 -22.659 1.00 0.00 H new ATOM 0 HB3 SER A 82 2.844 -13.262 -21.763 1.00 0.00 H new ATOM 0 HG SER A 82 2.598 -13.027 -24.175 1.00 0.00 H new ATOM 1318 N SER A 83 4.970 -9.788 -22.748 1.00 0.00 N ATOM 1319 CA SER A 83 5.489 -8.762 -23.695 1.00 0.00 C ATOM 1320 C SER A 83 5.233 -9.126 -25.162 1.00 0.00 C ATOM 1321 O SER A 83 5.736 -8.461 -26.047 1.00 0.00 O ATOM 1322 CB SER A 83 7.005 -8.644 -23.482 1.00 0.00 C ATOM 1323 OG SER A 83 7.441 -9.989 -23.361 1.00 0.00 O ATOM 0 H SER A 83 5.675 -10.231 -22.158 1.00 0.00 H new ATOM 0 HA SER A 83 4.969 -7.826 -23.494 1.00 0.00 H new ATOM 0 HB2 SER A 83 7.488 -8.142 -24.320 1.00 0.00 H new ATOM 0 HB3 SER A 83 7.239 -8.067 -22.587 1.00 0.00 H new ATOM 0 HG SER A 83 8.380 -10.054 -23.634 1.00 0.00 H new ATOM 1329 N ASN A 84 4.458 -10.168 -25.395 1.00 0.00 N ATOM 1330 CA ASN A 84 4.173 -10.568 -26.814 1.00 0.00 C ATOM 1331 C ASN A 84 2.692 -10.415 -27.138 1.00 0.00 C ATOM 1332 O ASN A 84 2.293 -10.561 -28.277 1.00 0.00 O ATOM 1333 CB ASN A 84 4.583 -12.035 -27.023 1.00 0.00 C ATOM 1334 CG ASN A 84 4.141 -12.868 -25.834 1.00 0.00 C ATOM 1335 OD1 ASN A 84 2.938 -13.353 -25.822 1.00 0.00 O flip ATOM 1336 ND2 ASN A 84 4.890 -13.093 -24.908 1.00 0.00 N flip ATOM 0 H ASN A 84 4.020 -10.747 -24.678 1.00 0.00 H new ATOM 0 HA ASN A 84 4.745 -9.917 -27.475 1.00 0.00 H new ATOM 0 HB2 ASN A 84 4.132 -12.421 -27.937 1.00 0.00 H new ATOM 0 HB3 ASN A 84 5.664 -12.106 -27.146 1.00 0.00 H new ATOM 0 HD21 ASN A 84 5.837 -12.713 -24.914 1.00 0.00 H new ATOM 0 HD22 ASN A 84 4.574 -13.662 -24.123 1.00 0.00 H new ATOM 1343 N GLY A 85 1.900 -10.130 -26.129 1.00 0.00 N ATOM 1344 CA GLY A 85 0.428 -9.961 -26.370 1.00 0.00 C ATOM 1345 C GLY A 85 -0.380 -11.143 -25.822 1.00 0.00 C ATOM 1346 O GLY A 85 -1.559 -11.254 -26.093 1.00 0.00 O ATOM 0 H GLY A 85 2.203 -10.008 -25.163 1.00 0.00 H new ATOM 0 HA2 GLY A 85 0.087 -9.039 -25.900 1.00 0.00 H new ATOM 0 HA3 GLY A 85 0.244 -9.860 -27.440 1.00 0.00 H new ATOM 1350 N GLU A 86 0.259 -11.995 -25.059 1.00 0.00 N ATOM 1351 CA GLU A 86 -0.482 -13.161 -24.498 1.00 0.00 C ATOM 1352 C GLU A 86 -0.903 -12.867 -23.075 1.00 0.00 C ATOM 1353 O GLU A 86 -0.079 -12.678 -22.205 1.00 0.00 O ATOM 1354 CB GLU A 86 0.439 -14.391 -24.502 1.00 0.00 C ATOM 1355 CG GLU A 86 0.689 -14.820 -25.947 1.00 0.00 C ATOM 1356 CD GLU A 86 -0.538 -15.567 -26.468 1.00 0.00 C ATOM 1357 OE1 GLU A 86 -1.468 -14.876 -26.855 1.00 0.00 O ATOM 1358 OE2 GLU A 86 -0.478 -16.785 -26.450 1.00 0.00 O ATOM 0 H GLU A 86 1.245 -11.934 -24.805 1.00 0.00 H new ATOM 0 HA GLU A 86 -1.367 -13.351 -25.106 1.00 0.00 H new ATOM 0 HB2 GLU A 86 1.383 -14.156 -24.010 1.00 0.00 H new ATOM 0 HB3 GLU A 86 -0.019 -15.206 -23.941 1.00 0.00 H new ATOM 0 HG2 GLU A 86 0.890 -13.947 -26.569 1.00 0.00 H new ATOM 0 HG3 GLU A 86 1.570 -15.460 -26.002 1.00 0.00 H new ATOM 1365 N ALA A 87 -2.186 -12.820 -22.867 1.00 0.00 N ATOM 1366 CA ALA A 87 -2.694 -12.536 -21.510 1.00 0.00 C ATOM 1367 C ALA A 87 -2.361 -13.655 -20.534 1.00 0.00 C ATOM 1368 O ALA A 87 -2.829 -14.768 -20.672 1.00 0.00 O ATOM 1369 CB ALA A 87 -4.220 -12.394 -21.586 1.00 0.00 C ATOM 0 H ALA A 87 -2.900 -12.966 -23.580 1.00 0.00 H new ATOM 0 HA ALA A 87 -2.221 -11.621 -21.152 1.00 0.00 H new ATOM 0 HB1 ALA A 87 -4.616 -12.184 -20.592 1.00 0.00 H new ATOM 0 HB2 ALA A 87 -4.476 -11.576 -22.259 1.00 0.00 H new ATOM 0 HB3 ALA A 87 -4.654 -13.321 -21.960 1.00 0.00 H new ATOM 1375 N VAL A 88 -1.546 -13.325 -19.567 1.00 0.00 N ATOM 1376 CA VAL A 88 -1.144 -14.322 -18.545 1.00 0.00 C ATOM 1377 C VAL A 88 -1.505 -13.755 -17.186 1.00 0.00 C ATOM 1378 O VAL A 88 -1.012 -14.172 -16.161 1.00 0.00 O ATOM 1379 CB VAL A 88 0.400 -14.560 -18.650 1.00 0.00 C ATOM 1380 CG1 VAL A 88 0.879 -14.118 -20.031 1.00 0.00 C ATOM 1381 CG2 VAL A 88 1.165 -13.749 -17.588 1.00 0.00 C ATOM 0 H VAL A 88 -1.141 -12.397 -19.445 1.00 0.00 H new ATOM 0 HA VAL A 88 -1.652 -15.275 -18.694 1.00 0.00 H new ATOM 0 HB VAL A 88 0.592 -15.621 -18.488 1.00 0.00 H new ATOM 0 HG11 VAL A 88 1.954 -14.280 -20.113 1.00 0.00 H new ATOM 0 HG12 VAL A 88 0.365 -14.698 -20.797 1.00 0.00 H new ATOM 0 HG13 VAL A 88 0.660 -13.059 -20.170 1.00 0.00 H new ATOM 0 HG21 VAL A 88 2.234 -13.936 -17.688 1.00 0.00 H new ATOM 0 HG22 VAL A 88 0.968 -12.686 -17.730 1.00 0.00 H new ATOM 0 HG23 VAL A 88 0.835 -14.049 -16.593 1.00 0.00 H new ATOM 1391 N GLU A 89 -2.407 -12.815 -17.229 1.00 0.00 N ATOM 1392 CA GLU A 89 -2.861 -12.160 -15.991 1.00 0.00 C ATOM 1393 C GLU A 89 -3.861 -12.990 -15.220 1.00 0.00 C ATOM 1394 O GLU A 89 -4.355 -13.999 -15.687 1.00 0.00 O ATOM 1395 CB GLU A 89 -3.560 -10.851 -16.380 1.00 0.00 C ATOM 1396 CG GLU A 89 -4.761 -11.171 -17.274 1.00 0.00 C ATOM 1397 CD GLU A 89 -5.998 -10.449 -16.736 1.00 0.00 C ATOM 1398 OE1 GLU A 89 -6.611 -11.016 -15.846 1.00 0.00 O ATOM 1399 OE2 GLU A 89 -6.259 -9.371 -17.244 1.00 0.00 O ATOM 0 H GLU A 89 -2.849 -12.475 -18.083 1.00 0.00 H new ATOM 0 HA GLU A 89 -1.986 -12.008 -15.359 1.00 0.00 H new ATOM 0 HB2 GLU A 89 -3.887 -10.320 -15.486 1.00 0.00 H new ATOM 0 HB3 GLU A 89 -2.865 -10.195 -16.904 1.00 0.00 H new ATOM 0 HG2 GLU A 89 -4.560 -10.858 -18.299 1.00 0.00 H new ATOM 0 HG3 GLU A 89 -4.935 -12.247 -17.298 1.00 0.00 H new ATOM 1406 N ASP A 90 -4.128 -12.531 -14.039 1.00 0.00 N ATOM 1407 CA ASP A 90 -5.082 -13.217 -13.161 1.00 0.00 C ATOM 1408 C ASP A 90 -5.736 -12.169 -12.256 1.00 0.00 C ATOM 1409 O ASP A 90 -5.072 -11.267 -11.784 1.00 0.00 O ATOM 1410 CB ASP A 90 -4.314 -14.222 -12.286 1.00 0.00 C ATOM 1411 CG ASP A 90 -3.981 -15.467 -13.111 1.00 0.00 C ATOM 1412 OD1 ASP A 90 -4.889 -15.934 -13.778 1.00 0.00 O ATOM 1413 OD2 ASP A 90 -2.836 -15.883 -13.026 1.00 0.00 O ATOM 0 H ASP A 90 -3.712 -11.689 -13.642 1.00 0.00 H new ATOM 0 HA ASP A 90 -5.838 -13.739 -13.748 1.00 0.00 H new ATOM 0 HB2 ASP A 90 -3.398 -13.767 -11.909 1.00 0.00 H new ATOM 0 HB3 ASP A 90 -4.913 -14.497 -11.418 1.00 0.00 H new ATOM 1418 N PRO A 91 -7.021 -12.296 -12.022 1.00 0.00 N ATOM 1419 CA PRO A 91 -7.718 -11.341 -11.174 1.00 0.00 C ATOM 1420 C PRO A 91 -7.006 -11.184 -9.828 1.00 0.00 C ATOM 1421 O PRO A 91 -7.278 -11.912 -8.892 1.00 0.00 O ATOM 1422 CB PRO A 91 -9.137 -11.945 -10.985 1.00 0.00 C ATOM 1423 CG PRO A 91 -9.195 -13.257 -11.828 1.00 0.00 C ATOM 1424 CD PRO A 91 -7.837 -13.403 -12.536 1.00 0.00 C ATOM 0 HA PRO A 91 -7.751 -10.345 -11.616 1.00 0.00 H new ATOM 0 HB2 PRO A 91 -9.329 -12.155 -9.933 1.00 0.00 H new ATOM 0 HB3 PRO A 91 -9.902 -11.242 -11.314 1.00 0.00 H new ATOM 0 HG2 PRO A 91 -9.390 -14.117 -11.188 1.00 0.00 H new ATOM 0 HG3 PRO A 91 -10.005 -13.211 -12.556 1.00 0.00 H new ATOM 0 HD2 PRO A 91 -7.378 -14.367 -12.316 1.00 0.00 H new ATOM 0 HD3 PRO A 91 -7.948 -13.343 -13.619 1.00 0.00 H new ATOM 1432 N MET A 92 -6.087 -10.231 -9.761 1.00 0.00 N ATOM 1433 CA MET A 92 -5.348 -10.013 -8.482 1.00 0.00 C ATOM 1434 C MET A 92 -5.782 -8.719 -7.841 1.00 0.00 C ATOM 1435 O MET A 92 -5.533 -7.647 -8.363 1.00 0.00 O ATOM 1436 CB MET A 92 -3.838 -9.919 -8.787 1.00 0.00 C ATOM 1437 CG MET A 92 -3.021 -10.418 -7.580 1.00 0.00 C ATOM 1438 SD MET A 92 -2.412 -9.171 -6.420 1.00 0.00 S ATOM 1439 CE MET A 92 -0.761 -8.987 -7.138 1.00 0.00 C ATOM 0 H MET A 92 -5.828 -9.611 -10.528 1.00 0.00 H new ATOM 0 HA MET A 92 -5.558 -10.843 -7.807 1.00 0.00 H new ATOM 0 HB2 MET A 92 -3.600 -10.514 -9.668 1.00 0.00 H new ATOM 0 HB3 MET A 92 -3.569 -8.888 -9.017 1.00 0.00 H new ATOM 0 HG2 MET A 92 -3.638 -11.124 -7.024 1.00 0.00 H new ATOM 0 HG3 MET A 92 -2.163 -10.974 -7.959 1.00 0.00 H new ATOM 0 HE1 MET A 92 -0.196 -8.249 -6.568 1.00 0.00 H new ATOM 0 HE2 MET A 92 -0.242 -9.945 -7.106 1.00 0.00 H new ATOM 0 HE3 MET A 92 -0.849 -8.656 -8.173 1.00 0.00 H new ATOM 1449 N GLU A 93 -6.426 -8.831 -6.724 1.00 0.00 N ATOM 1450 CA GLU A 93 -6.880 -7.614 -6.042 1.00 0.00 C ATOM 1451 C GLU A 93 -5.764 -7.029 -5.193 1.00 0.00 C ATOM 1452 O GLU A 93 -5.411 -7.571 -4.165 1.00 0.00 O ATOM 1453 CB GLU A 93 -8.060 -7.975 -5.132 1.00 0.00 C ATOM 1454 CG GLU A 93 -8.564 -9.375 -5.489 1.00 0.00 C ATOM 1455 CD GLU A 93 -9.847 -9.665 -4.710 1.00 0.00 C ATOM 1456 OE1 GLU A 93 -10.841 -9.046 -5.052 1.00 0.00 O ATOM 1457 OE2 GLU A 93 -9.762 -10.488 -3.813 1.00 0.00 O ATOM 0 H GLU A 93 -6.654 -9.710 -6.260 1.00 0.00 H new ATOM 0 HA GLU A 93 -7.178 -6.877 -6.788 1.00 0.00 H new ATOM 0 HB2 GLU A 93 -7.752 -7.943 -4.087 1.00 0.00 H new ATOM 0 HB3 GLU A 93 -8.862 -7.246 -5.250 1.00 0.00 H new ATOM 0 HG2 GLU A 93 -8.752 -9.444 -6.560 1.00 0.00 H new ATOM 0 HG3 GLU A 93 -7.804 -10.119 -5.250 1.00 0.00 H new ATOM 1464 N ILE A 94 -5.225 -5.936 -5.642 1.00 0.00 N ATOM 1465 CA ILE A 94 -4.133 -5.300 -4.877 1.00 0.00 C ATOM 1466 C ILE A 94 -4.723 -4.343 -3.840 1.00 0.00 C ATOM 1467 O ILE A 94 -5.618 -3.572 -4.153 1.00 0.00 O ATOM 1468 CB ILE A 94 -3.262 -4.494 -5.854 1.00 0.00 C ATOM 1469 CG1 ILE A 94 -2.171 -5.383 -6.433 1.00 0.00 C ATOM 1470 CG2 ILE A 94 -2.592 -3.337 -5.087 1.00 0.00 C ATOM 1471 CD1 ILE A 94 -1.358 -4.578 -7.451 1.00 0.00 C ATOM 0 H ILE A 94 -5.494 -5.459 -6.503 1.00 0.00 H new ATOM 0 HA ILE A 94 -3.541 -6.063 -4.373 1.00 0.00 H new ATOM 0 HB ILE A 94 -3.888 -4.111 -6.660 1.00 0.00 H new ATOM 0 HG12 ILE A 94 -1.522 -5.748 -5.637 1.00 0.00 H new ATOM 0 HG13 ILE A 94 -2.612 -6.257 -6.911 1.00 0.00 H new ATOM 0 HG21 ILE A 94 -1.971 -2.758 -5.771 1.00 0.00 H new ATOM 0 HG22 ILE A 94 -3.359 -2.692 -4.659 1.00 0.00 H new ATOM 0 HG23 ILE A 94 -1.971 -3.742 -4.288 1.00 0.00 H new ATOM 0 HD11 ILE A 94 -0.574 -5.208 -7.871 1.00 0.00 H new ATOM 0 HD12 ILE A 94 -2.014 -4.234 -8.251 1.00 0.00 H new ATOM 0 HD13 ILE A 94 -0.906 -3.717 -6.957 1.00 0.00 H new ATOM 1483 N VAL A 95 -4.209 -4.404 -2.630 1.00 0.00 N ATOM 1484 CA VAL A 95 -4.731 -3.505 -1.559 1.00 0.00 C ATOM 1485 C VAL A 95 -3.695 -2.463 -1.165 1.00 0.00 C ATOM 1486 O VAL A 95 -2.562 -2.795 -0.870 1.00 0.00 O ATOM 1487 CB VAL A 95 -5.058 -4.364 -0.327 1.00 0.00 C ATOM 1488 CG1 VAL A 95 -3.781 -5.048 0.167 1.00 0.00 C ATOM 1489 CG2 VAL A 95 -5.615 -3.465 0.781 1.00 0.00 C ATOM 0 H VAL A 95 -3.458 -5.033 -2.345 1.00 0.00 H new ATOM 0 HA VAL A 95 -5.617 -2.989 -1.930 1.00 0.00 H new ATOM 0 HB VAL A 95 -5.797 -5.120 -0.592 1.00 0.00 H new ATOM 0 HG11 VAL A 95 -4.010 -5.658 1.041 1.00 0.00 H new ATOM 0 HG12 VAL A 95 -3.379 -5.682 -0.623 1.00 0.00 H new ATOM 0 HG13 VAL A 95 -3.044 -4.292 0.436 1.00 0.00 H new ATOM 0 HG21 VAL A 95 -5.849 -4.070 1.657 1.00 0.00 H new ATOM 0 HG22 VAL A 95 -4.872 -2.713 1.047 1.00 0.00 H new ATOM 0 HG23 VAL A 95 -6.521 -2.972 0.429 1.00 0.00 H new ATOM 1499 N ILE A 96 -4.110 -1.215 -1.170 1.00 0.00 N ATOM 1500 CA ILE A 96 -3.171 -0.116 -0.799 1.00 0.00 C ATOM 1501 C ILE A 96 -3.667 0.611 0.445 1.00 0.00 C ATOM 1502 O ILE A 96 -4.747 1.158 0.453 1.00 0.00 O ATOM 1503 CB ILE A 96 -3.121 0.874 -1.959 1.00 0.00 C ATOM 1504 CG1 ILE A 96 -2.355 0.261 -3.125 1.00 0.00 C ATOM 1505 CG2 ILE A 96 -2.381 2.140 -1.494 1.00 0.00 C ATOM 1506 CD1 ILE A 96 -3.110 0.546 -4.424 1.00 0.00 C ATOM 0 H ILE A 96 -5.054 -0.916 -1.414 1.00 0.00 H new ATOM 0 HA ILE A 96 -2.185 -0.533 -0.593 1.00 0.00 H new ATOM 0 HB ILE A 96 -4.135 1.117 -2.276 1.00 0.00 H new ATOM 0 HG12 ILE A 96 -1.349 0.678 -3.175 1.00 0.00 H new ATOM 0 HG13 ILE A 96 -2.247 -0.814 -2.981 1.00 0.00 H new ATOM 0 HG21 ILE A 96 -2.337 2.858 -2.313 1.00 0.00 H new ATOM 0 HG22 ILE A 96 -2.912 2.583 -0.652 1.00 0.00 H new ATOM 0 HG23 ILE A 96 -1.369 1.878 -1.187 1.00 0.00 H new ATOM 0 HD11 ILE A 96 -2.568 0.110 -5.263 1.00 0.00 H new ATOM 0 HD12 ILE A 96 -4.107 0.108 -4.369 1.00 0.00 H new ATOM 0 HD13 ILE A 96 -3.195 1.623 -4.567 1.00 0.00 H new ATOM 1518 N THR A 97 -2.865 0.607 1.479 1.00 0.00 N ATOM 1519 CA THR A 97 -3.284 1.297 2.730 1.00 0.00 C ATOM 1520 C THR A 97 -2.790 2.741 2.768 1.00 0.00 C ATOM 1521 O THR A 97 -1.761 3.071 2.200 1.00 0.00 O ATOM 1522 CB THR A 97 -2.696 0.536 3.928 1.00 0.00 C ATOM 1523 OG1 THR A 97 -3.380 1.037 5.057 1.00 0.00 O ATOM 1524 CG2 THR A 97 -1.225 0.920 4.167 1.00 0.00 C ATOM 0 H THR A 97 -1.949 0.160 1.509 1.00 0.00 H new ATOM 0 HA THR A 97 -4.373 1.311 2.769 1.00 0.00 H new ATOM 0 HB THR A 97 -2.782 -0.537 3.757 1.00 0.00 H new ATOM 0 HG1 THR A 97 -3.052 0.588 5.864 1.00 0.00 H new ATOM 0 HG21 THR A 97 -0.838 0.365 5.021 1.00 0.00 H new ATOM 0 HG22 THR A 97 -0.637 0.679 3.281 1.00 0.00 H new ATOM 0 HG23 THR A 97 -1.156 1.989 4.368 1.00 0.00 H new ATOM 1532 N VAL A 98 -3.539 3.577 3.444 1.00 0.00 N ATOM 1533 CA VAL A 98 -3.142 5.008 3.540 1.00 0.00 C ATOM 1534 C VAL A 98 -2.234 5.250 4.742 1.00 0.00 C ATOM 1535 O VAL A 98 -2.327 4.564 5.741 1.00 0.00 O ATOM 1536 CB VAL A 98 -4.414 5.852 3.725 1.00 0.00 C ATOM 1537 CG1 VAL A 98 -4.019 7.316 3.935 1.00 0.00 C ATOM 1538 CG2 VAL A 98 -5.280 5.741 2.476 1.00 0.00 C ATOM 0 H VAL A 98 -4.401 3.329 3.929 1.00 0.00 H new ATOM 0 HA VAL A 98 -2.605 5.282 2.632 1.00 0.00 H new ATOM 0 HB VAL A 98 -4.971 5.491 4.590 1.00 0.00 H new ATOM 0 HG11 VAL A 98 -4.917 7.920 4.067 1.00 0.00 H new ATOM 0 HG12 VAL A 98 -3.392 7.400 4.822 1.00 0.00 H new ATOM 0 HG13 VAL A 98 -3.467 7.672 3.065 1.00 0.00 H new ATOM 0 HG21 VAL A 98 -6.182 6.339 2.605 1.00 0.00 H new ATOM 0 HG22 VAL A 98 -4.723 6.106 1.613 1.00 0.00 H new ATOM 0 HG23 VAL A 98 -5.555 4.699 2.315 1.00 0.00 H new ATOM 1548 N THR A 99 -1.369 6.230 4.613 1.00 0.00 N ATOM 1549 CA THR A 99 -0.432 6.555 5.726 1.00 0.00 C ATOM 1550 C THR A 99 -0.756 7.925 6.313 1.00 0.00 C ATOM 1551 O THR A 99 -1.198 8.805 5.614 1.00 0.00 O ATOM 1552 CB THR A 99 0.989 6.589 5.158 1.00 0.00 C ATOM 1553 OG1 THR A 99 0.933 5.834 3.965 1.00 0.00 O ATOM 1554 CG2 THR A 99 1.958 5.816 6.063 1.00 0.00 C ATOM 0 H THR A 99 -1.275 6.816 3.783 1.00 0.00 H new ATOM 0 HA THR A 99 -0.525 5.804 6.510 1.00 0.00 H new ATOM 0 HB THR A 99 1.317 7.622 5.045 1.00 0.00 H new ATOM 0 HG1 THR A 99 1.819 5.817 3.546 1.00 0.00 H new ATOM 0 HG21 THR A 99 2.961 5.854 5.639 1.00 0.00 H new ATOM 0 HG22 THR A 99 1.966 6.266 7.056 1.00 0.00 H new ATOM 0 HG23 THR A 99 1.635 4.778 6.138 1.00 0.00 H new ATOM 1562 N ASP A 100 -0.526 8.082 7.584 1.00 0.00 N ATOM 1563 CA ASP A 100 -0.821 9.393 8.216 1.00 0.00 C ATOM 1564 C ASP A 100 0.211 10.433 7.817 1.00 0.00 C ATOM 1565 O ASP A 100 1.354 10.112 7.560 1.00 0.00 O ATOM 1566 CB ASP A 100 -0.789 9.215 9.743 1.00 0.00 C ATOM 1567 CG ASP A 100 -1.399 10.450 10.412 1.00 0.00 C ATOM 1568 OD1 ASP A 100 -2.512 10.776 10.034 1.00 0.00 O ATOM 1569 OD2 ASP A 100 -0.716 10.996 11.264 1.00 0.00 O ATOM 0 H ASP A 100 -0.150 7.367 8.207 1.00 0.00 H new ATOM 0 HA ASP A 100 -1.801 9.735 7.884 1.00 0.00 H new ATOM 0 HB2 ASP A 100 -1.345 8.322 10.028 1.00 0.00 H new ATOM 0 HB3 ASP A 100 0.237 9.074 10.082 1.00 0.00 H new ATOM 1574 N GLN A 101 -0.212 11.668 7.769 1.00 0.00 N ATOM 1575 CA GLN A 101 0.732 12.740 7.388 1.00 0.00 C ATOM 1576 C GLN A 101 0.135 14.123 7.655 1.00 0.00 C ATOM 1577 O GLN A 101 0.144 14.987 6.800 1.00 0.00 O ATOM 1578 CB GLN A 101 1.035 12.595 5.888 1.00 0.00 C ATOM 1579 CG GLN A 101 2.470 13.039 5.634 1.00 0.00 C ATOM 1580 CD GLN A 101 2.658 13.328 4.144 1.00 0.00 C ATOM 1581 OE1 GLN A 101 2.981 12.452 3.367 1.00 0.00 O ATOM 1582 NE2 GLN A 101 2.468 14.542 3.705 1.00 0.00 N ATOM 0 H GLN A 101 -1.163 11.972 7.976 1.00 0.00 H new ATOM 0 HA GLN A 101 1.641 12.648 7.982 1.00 0.00 H new ATOM 0 HB2 GLN A 101 0.898 11.560 5.573 1.00 0.00 H new ATOM 0 HB3 GLN A 101 0.343 13.200 5.303 1.00 0.00 H new ATOM 0 HG2 GLN A 101 2.695 13.930 6.220 1.00 0.00 H new ATOM 0 HG3 GLN A 101 3.164 12.263 5.955 1.00 0.00 H new ATOM 0 HE21 GLN A 101 2.197 15.282 4.353 1.00 0.00 H new ATOM 0 HE22 GLN A 101 2.591 14.751 2.714 1.00 0.00 H new ATOM 1591 N ASN A 102 -0.368 14.310 8.845 1.00 0.00 N ATOM 1592 CA ASN A 102 -0.967 15.626 9.185 1.00 0.00 C ATOM 1593 C ASN A 102 0.099 16.718 9.190 1.00 0.00 C ATOM 1594 O ASN A 102 0.870 16.829 10.123 1.00 0.00 O ATOM 1595 CB ASN A 102 -1.582 15.526 10.590 1.00 0.00 C ATOM 1596 CG ASN A 102 -2.319 16.826 10.914 1.00 0.00 C ATOM 1597 OD1 ASN A 102 -2.804 17.540 9.934 1.00 0.00 O flip ATOM 1598 ND2 ASN A 102 -2.459 17.205 12.060 1.00 0.00 N flip ATOM 0 H ASN A 102 -0.389 13.613 9.589 1.00 0.00 H new ATOM 0 HA ASN A 102 -1.724 15.880 8.443 1.00 0.00 H new ATOM 0 HB2 ASN A 102 -2.271 14.683 10.639 1.00 0.00 H new ATOM 0 HB3 ASN A 102 -0.802 15.343 11.329 1.00 0.00 H new ATOM 0 HD21 ASN A 102 -2.082 16.652 12.830 1.00 0.00 H new ATOM 0 HD22 ASN A 102 -2.953 18.076 12.252 1.00 0.00 H new ATOM 1605 N ASP A 103 0.122 17.505 8.147 1.00 0.00 N ATOM 1606 CA ASP A 103 1.130 18.595 8.075 1.00 0.00 C ATOM 1607 C ASP A 103 0.863 19.505 6.882 1.00 0.00 C ATOM 1608 O ASP A 103 0.706 20.701 7.033 1.00 0.00 O ATOM 1609 CB ASP A 103 2.521 17.959 7.907 1.00 0.00 C ATOM 1610 CG ASP A 103 3.587 19.055 7.943 1.00 0.00 C ATOM 1611 OD1 ASP A 103 3.221 20.179 7.642 1.00 0.00 O ATOM 1612 OD2 ASP A 103 4.710 18.706 8.267 1.00 0.00 O ATOM 0 H ASP A 103 -0.510 17.439 7.349 1.00 0.00 H new ATOM 0 HA ASP A 103 1.075 19.189 8.987 1.00 0.00 H new ATOM 0 HB2 ASP A 103 2.701 17.235 8.702 1.00 0.00 H new ATOM 0 HB3 ASP A 103 2.573 17.416 6.963 1.00 0.00 H new ATOM 1617 N ASN A 104 0.815 18.922 5.715 1.00 0.00 N ATOM 1618 CA ASN A 104 0.558 19.736 4.501 1.00 0.00 C ATOM 1619 C ASN A 104 0.325 18.840 3.289 1.00 0.00 C ATOM 1620 O ASN A 104 1.165 17.981 3.083 1.00 0.00 O ATOM 1621 CB ASN A 104 1.792 20.613 4.233 1.00 0.00 C ATOM 1622 CG ASN A 104 1.708 21.179 2.812 1.00 0.00 C ATOM 1623 OD1 ASN A 104 0.545 21.239 2.225 1.00 0.00 O flip ATOM 1624 ND2 ASN A 104 2.698 21.571 2.228 1.00 0.00 N flip ATOM 1625 OXT ASN A 104 -0.682 19.064 2.637 1.00 0.00 O ATOM 0 H ASN A 104 0.942 17.923 5.554 1.00 0.00 H new ATOM 0 HA ASN A 104 -0.330 20.346 4.664 1.00 0.00 H new ATOM 0 HB2 ASN A 104 1.841 21.425 4.959 1.00 0.00 H new ATOM 0 HB3 ASN A 104 2.703 20.026 4.350 1.00 0.00 H new ATOM 0 HD21 ASN A 104 3.610 21.526 2.683 1.00 0.00 H new ATOM 0 HD22 ASN A 104 2.618 21.945 1.283 1.00 0.00 H new TER 1632 ASN A 104