USER MOD reduce.3.24.130724 H: found=0, std=0, add=802, rem=0, adj=15 USER MOD reduce.3.24.130724 removed 804 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 Single : A 9 ASN : amide:sc= -0.156 X(o=-0.16,f=-0.27) USER MOD Single : A 17 ASN : amide:sc= -0.253 K(o=-0.25,f=-2!) USER MOD Single : A 19 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 20 THR OG1 : rot 180:sc= 0 USER MOD Single : A 30 THR OG1 : rot -26:sc= 0.778 USER MOD Single : A 31 TYR OH : rot 140:sc= 0.449 USER MOD Single : A 35 MET CE :methyl -141:sc= -4.12! (180deg=-8.56!) USER MOD Single : A 37 THR OG1 : rot -175:sc= -1.02 USER MOD Single : A 38 ASN : amide:sc= -0.395 K(o=-0.39,f=-8.5!) USER MOD Single : A 43 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 45 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 47 SER OG : rot 93:sc= -1.42 USER MOD Single : A 48 CYS SG : rot 180:sc= -0.69 USER MOD Single : A 53 TYR OH : rot 180:sc= 0 USER MOD Single : A 54 SER OG : rot 180:sc= 0 USER MOD Single : A 60 LYS NZ :NH3+ -168:sc= 0 (180deg=-0.106) USER MOD Single : A 61 ASN : amide:sc=-0.00448 X(o=-0.0045,f=0) USER MOD Single : A 95 SER OG : rot 180:sc= 0 USER MOD Single : A 102 GLN : amide:sc=-0.00305 X(o=-0.003,f=0) USER MOD Single : A 106 GLN : amide:sc= -0.0172 X(o=-0.017,f=-0.049) USER MOD Single : A 109 ASN : amide:sc= -0.24 K(o=-0.24,f=-0.96) USER MOD Single : A 110 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 114 HIS : no HE2:sc= -1.61 K(o=-1.6,f=-4.4!) USER MOD Single : A 118 GLN : amide:sc= 0.422 K(o=0.42,f=-0.61) USER MOD Single : A 119 ASN : amide:sc= -0.304 K(o=-0.3,f=-2.6!) USER MOD Single : A 122 CYS SG : rot -81:sc= -1.09 USER MOD Single : A 124 HIS :FLIP no HD1:sc= -0.135 F(o=-1.1,f=-0.13) USER MOD Single : A 125 MET CE :methyl -125:sc= -0.483 (180deg=-0.774) USER MOD Single : A 128 GLN : amide:sc= -0.0612 K(o=-0.061,f=-0.76) USER MOD ----------------------------------------------------------------- ATOM 77 N ASN A 9 -21.539 -11.527 -11.791 1.00 0.00 N ATOM 78 CA ASN A 9 -21.226 -10.774 -10.589 1.00 0.00 C ATOM 79 C ASN A 9 -19.848 -10.127 -10.743 1.00 0.00 C ATOM 80 O ASN A 9 -18.973 -10.674 -11.412 1.00 0.00 O ATOM 81 CB ASN A 9 -21.186 -11.686 -9.362 1.00 0.00 C ATOM 82 CG ASN A 9 -20.465 -12.998 -9.677 1.00 0.00 C ATOM 83 OD1 ASN A 9 -19.322 -13.022 -10.103 1.00 0.00 O ATOM 84 ND2 ASN A 9 -21.194 -14.086 -9.445 1.00 0.00 N ATOM 0 HA ASN A 9 -22.001 -10.020 -10.452 1.00 0.00 H new ATOM 0 HB2 ASN A 9 -20.680 -11.176 -8.542 1.00 0.00 H new ATOM 0 HB3 ASN A 9 -22.202 -11.896 -9.028 1.00 0.00 H new ATOM 0 HD21 ASN A 9 -20.802 -15.010 -9.624 1.00 0.00 H new ATOM 0 HD22 ASN A 9 -22.145 -13.996 -9.088 1.00 0.00 H new ATOM 91 N PHE A 10 -19.699 -8.971 -10.112 1.00 0.00 N ATOM 92 CA PHE A 10 -18.442 -8.244 -10.170 1.00 0.00 C ATOM 93 C PHE A 10 -18.171 -7.511 -8.855 1.00 0.00 C ATOM 94 O PHE A 10 -19.026 -6.775 -8.363 1.00 0.00 O ATOM 95 CB PHE A 10 -18.572 -7.216 -11.296 1.00 0.00 C ATOM 96 CG PHE A 10 -19.411 -5.991 -10.926 1.00 0.00 C ATOM 97 CD1 PHE A 10 -18.838 -4.950 -10.264 1.00 0.00 C ATOM 98 CD2 PHE A 10 -20.728 -5.943 -11.259 1.00 0.00 C ATOM 99 CE1 PHE A 10 -19.616 -3.813 -9.921 1.00 0.00 C ATOM 100 CE2 PHE A 10 -21.507 -4.806 -10.916 1.00 0.00 C ATOM 101 CZ PHE A 10 -20.934 -3.765 -10.254 1.00 0.00 C ATOM 0 H PHE A 10 -20.428 -8.520 -9.558 1.00 0.00 H new ATOM 0 HA PHE A 10 -17.619 -8.937 -10.344 1.00 0.00 H new ATOM 0 HB2 PHE A 10 -17.576 -6.886 -11.590 1.00 0.00 H new ATOM 0 HB3 PHE A 10 -19.017 -7.699 -12.166 1.00 0.00 H new ATOM 0 HD1 PHE A 10 -17.792 -4.988 -9.999 1.00 0.00 H new ATOM 0 HD2 PHE A 10 -21.182 -6.770 -11.785 1.00 0.00 H new ATOM 0 HE1 PHE A 10 -19.161 -2.986 -9.396 1.00 0.00 H new ATOM 0 HE2 PHE A 10 -22.553 -4.768 -11.181 1.00 0.00 H new ATOM 0 HZ PHE A 10 -21.526 -2.900 -9.993 1.00 0.00 H new ATOM 111 N LEU A 11 -16.979 -7.737 -8.323 1.00 0.00 N ATOM 112 CA LEU A 11 -16.585 -7.107 -7.074 1.00 0.00 C ATOM 113 C LEU A 11 -15.247 -6.391 -7.269 1.00 0.00 C ATOM 114 O LEU A 11 -14.200 -7.032 -7.339 1.00 0.00 O ATOM 115 CB LEU A 11 -16.574 -8.132 -5.938 1.00 0.00 C ATOM 116 CG LEU A 11 -15.915 -7.679 -4.633 1.00 0.00 C ATOM 117 CD1 LEU A 11 -16.886 -6.853 -3.786 1.00 0.00 C ATOM 118 CD2 LEU A 11 -15.353 -8.873 -3.859 1.00 0.00 C ATOM 0 H LEU A 11 -16.273 -8.348 -8.734 1.00 0.00 H new ATOM 0 HA LEU A 11 -17.313 -6.350 -6.783 1.00 0.00 H new ATOM 0 HB2 LEU A 11 -17.604 -8.417 -5.722 1.00 0.00 H new ATOM 0 HB3 LEU A 11 -16.062 -9.028 -6.289 1.00 0.00 H new ATOM 0 HG LEU A 11 -15.074 -7.032 -4.882 1.00 0.00 H new ATOM 0 HD11 LEU A 11 -16.393 -6.544 -2.865 1.00 0.00 H new ATOM 0 HD12 LEU A 11 -17.196 -5.970 -4.345 1.00 0.00 H new ATOM 0 HD13 LEU A 11 -17.761 -7.456 -3.544 1.00 0.00 H new ATOM 0 HD21 LEU A 11 -14.890 -8.523 -2.936 1.00 0.00 H new ATOM 0 HD22 LEU A 11 -16.161 -9.565 -3.620 1.00 0.00 H new ATOM 0 HD23 LEU A 11 -14.607 -9.383 -4.468 1.00 0.00 H new ATOM 130 N GLU A 12 -15.326 -5.071 -7.352 1.00 0.00 N ATOM 131 CA GLU A 12 -14.135 -4.260 -7.537 1.00 0.00 C ATOM 132 C GLU A 12 -14.114 -3.108 -6.531 1.00 0.00 C ATOM 133 O GLU A 12 -15.138 -2.786 -5.930 1.00 0.00 O ATOM 134 CB GLU A 12 -14.046 -3.736 -8.972 1.00 0.00 C ATOM 135 CG GLU A 12 -13.918 -4.889 -9.970 1.00 0.00 C ATOM 136 CD GLU A 12 -12.505 -4.954 -10.554 1.00 0.00 C ATOM 137 OE1 GLU A 12 -12.224 -4.132 -11.453 1.00 0.00 O ATOM 138 OE2 GLU A 12 -11.738 -5.825 -10.088 1.00 0.00 O ATOM 0 H GLU A 12 -16.197 -4.543 -7.294 1.00 0.00 H new ATOM 0 HA GLU A 12 -13.262 -4.887 -7.359 1.00 0.00 H new ATOM 0 HB2 GLU A 12 -14.933 -3.147 -9.203 1.00 0.00 H new ATOM 0 HB3 GLU A 12 -13.188 -3.071 -9.067 1.00 0.00 H new ATOM 0 HG2 GLU A 12 -14.155 -5.831 -9.475 1.00 0.00 H new ATOM 0 HG3 GLU A 12 -14.642 -4.761 -10.774 1.00 0.00 H new ATOM 145 N ILE A 13 -12.937 -2.519 -6.378 1.00 0.00 N ATOM 146 CA ILE A 13 -12.770 -1.410 -5.454 1.00 0.00 C ATOM 147 C ILE A 13 -11.919 -0.324 -6.116 1.00 0.00 C ATOM 148 O ILE A 13 -10.945 -0.627 -6.804 1.00 0.00 O ATOM 149 CB ILE A 13 -12.208 -1.903 -4.120 1.00 0.00 C ATOM 150 CG1 ILE A 13 -13.244 -2.737 -3.363 1.00 0.00 C ATOM 151 CG2 ILE A 13 -11.687 -0.736 -3.279 1.00 0.00 C ATOM 152 CD1 ILE A 13 -12.671 -4.101 -2.974 1.00 0.00 C ATOM 0 H ILE A 13 -12.090 -2.789 -6.878 1.00 0.00 H new ATOM 0 HA ILE A 13 -13.735 -0.961 -5.220 1.00 0.00 H new ATOM 0 HB ILE A 13 -11.359 -2.554 -4.327 1.00 0.00 H new ATOM 0 HG12 ILE A 13 -13.562 -2.203 -2.467 1.00 0.00 H new ATOM 0 HG13 ILE A 13 -14.130 -2.874 -3.984 1.00 0.00 H new ATOM 0 HG21 ILE A 13 -11.293 -1.115 -2.336 1.00 0.00 H new ATOM 0 HG22 ILE A 13 -10.895 -0.221 -3.822 1.00 0.00 H new ATOM 0 HG23 ILE A 13 -12.501 -0.040 -3.079 1.00 0.00 H new ATOM 0 HD11 ILE A 13 -13.427 -4.674 -2.437 1.00 0.00 H new ATOM 0 HD12 ILE A 13 -12.377 -4.642 -3.873 1.00 0.00 H new ATOM 0 HD13 ILE A 13 -11.800 -3.961 -2.334 1.00 0.00 H new ATOM 164 N ASP A 14 -12.317 0.918 -5.885 1.00 0.00 N ATOM 165 CA ASP A 14 -11.603 2.050 -6.451 1.00 0.00 C ATOM 166 C ASP A 14 -10.875 2.799 -5.332 1.00 0.00 C ATOM 167 O ASP A 14 -11.411 2.959 -4.237 1.00 0.00 O ATOM 168 CB ASP A 14 -12.566 3.029 -7.125 1.00 0.00 C ATOM 169 CG ASP A 14 -13.387 2.439 -8.274 1.00 0.00 C ATOM 170 OD1 ASP A 14 -12.788 2.227 -9.350 1.00 0.00 O ATOM 171 OD2 ASP A 14 -14.596 2.214 -8.050 1.00 0.00 O ATOM 0 H ASP A 14 -13.125 1.166 -5.314 1.00 0.00 H new ATOM 0 HA ASP A 14 -10.900 1.668 -7.192 1.00 0.00 H new ATOM 0 HB2 ASP A 14 -13.251 3.419 -6.372 1.00 0.00 H new ATOM 0 HB3 ASP A 14 -11.994 3.876 -7.504 1.00 0.00 H new ATOM 176 N ILE A 15 -9.665 3.238 -5.647 1.00 0.00 N ATOM 177 CA ILE A 15 -8.859 3.966 -4.682 1.00 0.00 C ATOM 178 C ILE A 15 -8.383 5.278 -5.309 1.00 0.00 C ATOM 179 O ILE A 15 -7.418 5.293 -6.070 1.00 0.00 O ATOM 180 CB ILE A 15 -7.721 3.085 -4.162 1.00 0.00 C ATOM 181 CG1 ILE A 15 -8.248 1.728 -3.693 1.00 0.00 C ATOM 182 CG2 ILE A 15 -6.929 3.802 -3.067 1.00 0.00 C ATOM 183 CD1 ILE A 15 -8.421 1.703 -2.173 1.00 0.00 C ATOM 0 H ILE A 15 -9.224 3.103 -6.557 1.00 0.00 H new ATOM 0 HA ILE A 15 -9.455 4.227 -3.807 1.00 0.00 H new ATOM 0 HB ILE A 15 -7.033 2.895 -4.986 1.00 0.00 H new ATOM 0 HG12 ILE A 15 -9.203 1.518 -4.175 1.00 0.00 H new ATOM 0 HG13 ILE A 15 -7.558 0.941 -3.997 1.00 0.00 H new ATOM 0 HG21 ILE A 15 -6.126 3.154 -2.715 1.00 0.00 H new ATOM 0 HG22 ILE A 15 -6.503 4.721 -3.469 1.00 0.00 H new ATOM 0 HG23 ILE A 15 -7.592 4.042 -2.236 1.00 0.00 H new ATOM 0 HD11 ILE A 15 -8.797 0.727 -1.866 1.00 0.00 H new ATOM 0 HD12 ILE A 15 -7.460 1.889 -1.694 1.00 0.00 H new ATOM 0 HD13 ILE A 15 -9.130 2.475 -1.875 1.00 0.00 H new ATOM 195 N PHE A 16 -9.084 6.349 -4.964 1.00 0.00 N ATOM 196 CA PHE A 16 -8.746 7.663 -5.483 1.00 0.00 C ATOM 197 C PHE A 16 -9.179 8.764 -4.512 1.00 0.00 C ATOM 198 O PHE A 16 -9.646 8.477 -3.411 1.00 0.00 O ATOM 199 CB PHE A 16 -9.505 7.833 -6.800 1.00 0.00 C ATOM 200 CG PHE A 16 -11.027 7.842 -6.644 1.00 0.00 C ATOM 201 CD1 PHE A 16 -11.674 9.000 -6.346 1.00 0.00 C ATOM 202 CD2 PHE A 16 -11.733 6.690 -6.804 1.00 0.00 C ATOM 203 CE1 PHE A 16 -13.086 9.008 -6.201 1.00 0.00 C ATOM 204 CE2 PHE A 16 -13.146 6.698 -6.660 1.00 0.00 C ATOM 205 CZ PHE A 16 -13.793 7.857 -6.361 1.00 0.00 C ATOM 0 H PHE A 16 -9.884 6.333 -4.332 1.00 0.00 H new ATOM 0 HA PHE A 16 -7.668 7.742 -5.622 1.00 0.00 H new ATOM 0 HB2 PHE A 16 -9.193 8.766 -7.270 1.00 0.00 H new ATOM 0 HB3 PHE A 16 -9.224 7.026 -7.476 1.00 0.00 H new ATOM 0 HD1 PHE A 16 -11.113 9.914 -6.220 1.00 0.00 H new ATOM 0 HD2 PHE A 16 -11.219 5.770 -7.040 1.00 0.00 H new ATOM 0 HE1 PHE A 16 -13.599 9.928 -5.964 1.00 0.00 H new ATOM 0 HE2 PHE A 16 -13.707 5.784 -6.788 1.00 0.00 H new ATOM 0 HZ PHE A 16 -14.867 7.863 -6.251 1.00 0.00 H new ATOM 215 N ASN A 17 -9.008 10.001 -4.956 1.00 0.00 N ATOM 216 CA ASN A 17 -9.376 11.146 -4.140 1.00 0.00 C ATOM 217 C ASN A 17 -8.419 11.247 -2.951 1.00 0.00 C ATOM 218 O ASN A 17 -8.834 11.101 -1.802 1.00 0.00 O ATOM 219 CB ASN A 17 -10.797 10.999 -3.593 1.00 0.00 C ATOM 220 CG ASN A 17 -11.491 12.359 -3.497 1.00 0.00 C ATOM 221 OD1 ASN A 17 -10.906 13.402 -3.742 1.00 0.00 O ATOM 222 ND2 ASN A 17 -12.766 12.291 -3.126 1.00 0.00 N ATOM 0 H ASN A 17 -8.620 10.235 -5.870 1.00 0.00 H new ATOM 0 HA ASN A 17 -9.321 12.037 -4.765 1.00 0.00 H new ATOM 0 HB2 ASN A 17 -11.373 10.338 -4.240 1.00 0.00 H new ATOM 0 HB3 ASN A 17 -10.765 10.533 -2.608 1.00 0.00 H new ATOM 0 HD21 ASN A 17 -13.316 13.145 -3.031 1.00 0.00 H new ATOM 0 HD22 ASN A 17 -13.194 11.385 -2.936 1.00 0.00 H new ATOM 229 N PRO A 18 -7.123 11.503 -3.275 1.00 0.00 N ATOM 230 CA PRO A 18 -6.105 11.625 -2.246 1.00 0.00 C ATOM 231 C PRO A 18 -6.222 12.964 -1.515 1.00 0.00 C ATOM 232 O PRO A 18 -6.544 13.982 -2.125 1.00 0.00 O ATOM 233 CB PRO A 18 -4.783 11.463 -2.980 1.00 0.00 C ATOM 234 CG PRO A 18 -5.087 11.720 -4.447 1.00 0.00 C ATOM 235 CD PRO A 18 -6.596 11.681 -4.625 1.00 0.00 C ATOM 0 HA PRO A 18 -6.206 10.873 -1.463 1.00 0.00 H new ATOM 0 HB2 PRO A 18 -4.040 12.167 -2.606 1.00 0.00 H new ATOM 0 HB3 PRO A 18 -4.376 10.462 -2.835 1.00 0.00 H new ATOM 0 HG2 PRO A 18 -4.691 12.688 -4.755 1.00 0.00 H new ATOM 0 HG3 PRO A 18 -4.609 10.967 -5.073 1.00 0.00 H new ATOM 0 HD2 PRO A 18 -6.966 12.602 -5.076 1.00 0.00 H new ATOM 0 HD3 PRO A 18 -6.897 10.862 -5.279 1.00 0.00 H new ATOM 243 N GLN A 19 -5.954 12.919 -0.218 1.00 0.00 N ATOM 244 CA GLN A 19 -6.026 14.116 0.603 1.00 0.00 C ATOM 245 C GLN A 19 -4.996 14.047 1.732 1.00 0.00 C ATOM 246 O GLN A 19 -5.044 13.145 2.567 1.00 0.00 O ATOM 247 CB GLN A 19 -7.437 14.316 1.159 1.00 0.00 C ATOM 248 CG GLN A 19 -8.216 15.334 0.325 1.00 0.00 C ATOM 249 CD GLN A 19 -7.981 16.757 0.836 1.00 0.00 C ATOM 250 OE1 GLN A 19 -8.633 17.231 1.752 1.00 0.00 O ATOM 251 NE2 GLN A 19 -7.015 17.409 0.195 1.00 0.00 N ATOM 0 H GLN A 19 -5.687 12.073 0.284 1.00 0.00 H new ATOM 0 HA GLN A 19 -5.793 14.977 -0.023 1.00 0.00 H new ATOM 0 HB2 GLN A 19 -7.967 13.364 1.165 1.00 0.00 H new ATOM 0 HB3 GLN A 19 -7.379 14.656 2.193 1.00 0.00 H new ATOM 0 HG2 GLN A 19 -7.911 15.264 -0.719 1.00 0.00 H new ATOM 0 HG3 GLN A 19 -9.280 15.102 0.362 1.00 0.00 H new ATOM 0 HE21 GLN A 19 -6.508 16.953 -0.563 1.00 0.00 H new ATOM 0 HE22 GLN A 19 -6.781 18.365 0.462 1.00 0.00 H new ATOM 260 N THR A 20 -4.088 15.012 1.721 1.00 0.00 N ATOM 261 CA THR A 20 -3.048 15.073 2.734 1.00 0.00 C ATOM 262 C THR A 20 -3.617 15.603 4.052 1.00 0.00 C ATOM 263 O THR A 20 -4.537 16.419 4.051 1.00 0.00 O ATOM 264 CB THR A 20 -1.900 15.921 2.183 1.00 0.00 C ATOM 265 OG1 THR A 20 -1.391 15.152 1.097 1.00 0.00 O ATOM 266 CG2 THR A 20 -0.723 16.016 3.156 1.00 0.00 C ATOM 0 H THR A 20 -4.051 15.758 1.026 1.00 0.00 H new ATOM 0 HA THR A 20 -2.658 14.081 2.961 1.00 0.00 H new ATOM 0 HB THR A 20 -2.265 16.923 1.956 1.00 0.00 H new ATOM 0 HG1 THR A 20 -0.643 15.629 0.680 1.00 0.00 H new ATOM 0 HG21 THR A 20 0.064 16.629 2.716 1.00 0.00 H new ATOM 0 HG22 THR A 20 -1.058 16.470 4.089 1.00 0.00 H new ATOM 0 HG23 THR A 20 -0.336 15.017 3.357 1.00 0.00 H new ATOM 412 N THR A 30 -4.815 9.872 2.467 1.00 0.00 N ATOM 413 CA THR A 30 -5.942 8.956 2.524 1.00 0.00 C ATOM 414 C THR A 30 -6.642 8.886 1.166 1.00 0.00 C ATOM 415 O THR A 30 -6.773 9.897 0.478 1.00 0.00 O ATOM 416 CB THR A 30 -6.862 9.409 3.660 1.00 0.00 C ATOM 417 OG1 THR A 30 -6.904 10.827 3.528 1.00 0.00 O ATOM 418 CG2 THR A 30 -6.244 9.181 5.041 1.00 0.00 C ATOM 0 HA THR A 30 -5.614 7.939 2.738 1.00 0.00 H new ATOM 0 HB THR A 30 -7.810 8.874 3.594 1.00 0.00 H new ATOM 0 HG1 THR A 30 -6.083 11.139 3.093 1.00 0.00 H new ATOM 0 HG21 THR A 30 -6.938 9.520 5.810 1.00 0.00 H new ATOM 0 HG22 THR A 30 -6.041 8.119 5.178 1.00 0.00 H new ATOM 0 HG23 THR A 30 -5.313 9.742 5.120 1.00 0.00 H new ATOM 426 N TYR A 31 -7.074 7.682 0.820 1.00 0.00 N ATOM 427 CA TYR A 31 -7.758 7.467 -0.444 1.00 0.00 C ATOM 428 C TYR A 31 -9.205 7.024 -0.216 1.00 0.00 C ATOM 429 O TYR A 31 -9.531 6.473 0.834 1.00 0.00 O ATOM 430 CB TYR A 31 -6.998 6.341 -1.148 1.00 0.00 C ATOM 431 CG TYR A 31 -5.498 6.603 -1.299 1.00 0.00 C ATOM 432 CD1 TYR A 31 -4.624 6.197 -0.311 1.00 0.00 C ATOM 433 CD2 TYR A 31 -5.019 7.244 -2.423 1.00 0.00 C ATOM 434 CE1 TYR A 31 -3.212 6.444 -0.453 1.00 0.00 C ATOM 435 CE2 TYR A 31 -3.607 7.490 -2.565 1.00 0.00 C ATOM 436 CZ TYR A 31 -2.773 7.078 -1.573 1.00 0.00 C ATOM 437 OH TYR A 31 -1.440 7.310 -1.707 1.00 0.00 O ATOM 0 H TYR A 31 -6.964 6.845 1.393 1.00 0.00 H new ATOM 0 HA TYR A 31 -7.781 8.386 -1.029 1.00 0.00 H new ATOM 0 HB2 TYR A 31 -7.141 5.416 -0.590 1.00 0.00 H new ATOM 0 HB3 TYR A 31 -7.431 6.187 -2.136 1.00 0.00 H new ATOM 0 HD1 TYR A 31 -4.999 5.694 0.568 1.00 0.00 H new ATOM 0 HD2 TYR A 31 -5.703 7.561 -3.196 1.00 0.00 H new ATOM 0 HE1 TYR A 31 -2.517 6.133 0.313 1.00 0.00 H new ATOM 0 HE2 TYR A 31 -3.219 7.991 -3.440 1.00 0.00 H new ATOM 0 HH TYR A 31 -1.171 7.144 -2.635 1.00 0.00 H new ATOM 447 N GLU A 32 -10.033 7.282 -1.217 1.00 0.00 N ATOM 448 CA GLU A 32 -11.438 6.917 -1.139 1.00 0.00 C ATOM 449 C GLU A 32 -11.638 5.474 -1.607 1.00 0.00 C ATOM 450 O GLU A 32 -11.565 5.189 -2.801 1.00 0.00 O ATOM 451 CB GLU A 32 -12.301 7.882 -1.954 1.00 0.00 C ATOM 452 CG GLU A 32 -12.729 9.083 -1.107 1.00 0.00 C ATOM 453 CD GLU A 32 -14.241 9.079 -0.875 1.00 0.00 C ATOM 454 OE1 GLU A 32 -14.970 8.999 -1.887 1.00 0.00 O ATOM 455 OE2 GLU A 32 -14.634 9.157 0.309 1.00 0.00 O ATOM 0 H GLU A 32 -9.759 7.739 -2.086 1.00 0.00 H new ATOM 0 HA GLU A 32 -11.755 6.988 -0.098 1.00 0.00 H new ATOM 0 HB2 GLU A 32 -11.744 8.227 -2.825 1.00 0.00 H new ATOM 0 HB3 GLU A 32 -13.184 7.361 -2.326 1.00 0.00 H new ATOM 0 HG2 GLU A 32 -12.210 9.060 -0.149 1.00 0.00 H new ATOM 0 HG3 GLU A 32 -12.436 10.007 -1.606 1.00 0.00 H new ATOM 462 N VAL A 33 -11.886 4.602 -0.641 1.00 0.00 N ATOM 463 CA VAL A 33 -12.098 3.196 -0.939 1.00 0.00 C ATOM 464 C VAL A 33 -13.560 2.976 -1.330 1.00 0.00 C ATOM 465 O VAL A 33 -14.411 2.755 -0.470 1.00 0.00 O ATOM 466 CB VAL A 33 -11.662 2.338 0.250 1.00 0.00 C ATOM 467 CG1 VAL A 33 -11.741 0.848 -0.090 1.00 0.00 C ATOM 468 CG2 VAL A 33 -10.255 2.719 0.716 1.00 0.00 C ATOM 0 H VAL A 33 -11.945 4.842 0.349 1.00 0.00 H new ATOM 0 HA VAL A 33 -11.485 2.889 -1.787 1.00 0.00 H new ATOM 0 HB VAL A 33 -12.351 2.532 1.072 1.00 0.00 H new ATOM 0 HG11 VAL A 33 -11.426 0.261 0.772 1.00 0.00 H new ATOM 0 HG12 VAL A 33 -12.767 0.588 -0.350 1.00 0.00 H new ATOM 0 HG13 VAL A 33 -11.087 0.632 -0.935 1.00 0.00 H new ATOM 0 HG21 VAL A 33 -9.970 2.094 1.562 1.00 0.00 H new ATOM 0 HG22 VAL A 33 -9.548 2.569 -0.100 1.00 0.00 H new ATOM 0 HG23 VAL A 33 -10.243 3.766 1.018 1.00 0.00 H new ATOM 478 N ARG A 34 -13.808 3.044 -2.630 1.00 0.00 N ATOM 479 CA ARG A 34 -15.153 2.855 -3.146 1.00 0.00 C ATOM 480 C ARG A 34 -15.330 1.423 -3.656 1.00 0.00 C ATOM 481 O ARG A 34 -14.877 1.089 -4.749 1.00 0.00 O ATOM 482 CB ARG A 34 -15.449 3.834 -4.284 1.00 0.00 C ATOM 483 CG ARG A 34 -16.923 3.772 -4.692 1.00 0.00 C ATOM 484 CD ARG A 34 -17.121 4.305 -6.112 1.00 0.00 C ATOM 485 NE ARG A 34 -17.217 5.781 -6.090 1.00 0.00 N ATOM 486 CZ ARG A 34 -17.520 6.531 -7.159 1.00 0.00 C ATOM 487 NH1 ARG A 34 -17.758 5.946 -8.341 1.00 0.00 N ATOM 488 NH2 ARG A 34 -17.584 7.864 -7.046 1.00 0.00 N ATOM 0 H ARG A 34 -13.100 3.227 -3.341 1.00 0.00 H new ATOM 0 HA ARG A 34 -15.850 3.043 -2.330 1.00 0.00 H new ATOM 0 HB2 ARG A 34 -15.197 4.847 -3.971 1.00 0.00 H new ATOM 0 HB3 ARG A 34 -14.820 3.600 -5.143 1.00 0.00 H new ATOM 0 HG2 ARG A 34 -17.277 2.743 -4.633 1.00 0.00 H new ATOM 0 HG3 ARG A 34 -17.522 4.356 -3.994 1.00 0.00 H new ATOM 0 HD2 ARG A 34 -16.289 3.996 -6.745 1.00 0.00 H new ATOM 0 HD3 ARG A 34 -18.026 3.880 -6.546 1.00 0.00 H new ATOM 0 HE ARG A 34 -17.042 6.258 -5.206 1.00 0.00 H new ATOM 0 HH11 ARG A 34 -17.709 4.931 -8.427 1.00 0.00 H new ATOM 0 HH12 ARG A 34 -17.989 6.516 -9.155 1.00 0.00 H new ATOM 0 HH21 ARG A 34 -17.402 8.309 -6.146 1.00 0.00 H new ATOM 0 HH22 ARG A 34 -17.815 8.434 -7.860 1.00 0.00 H new ATOM 502 N MET A 35 -15.990 0.616 -2.839 1.00 0.00 N ATOM 503 CA MET A 35 -16.233 -0.773 -3.193 1.00 0.00 C ATOM 504 C MET A 35 -17.623 -0.947 -3.807 1.00 0.00 C ATOM 505 O MET A 35 -18.576 -0.290 -3.391 1.00 0.00 O ATOM 506 CB MET A 35 -16.113 -1.647 -1.943 1.00 0.00 C ATOM 507 CG MET A 35 -16.292 -3.126 -2.290 1.00 0.00 C ATOM 508 SD MET A 35 -16.955 -4.006 -0.885 1.00 0.00 S ATOM 509 CE MET A 35 -18.667 -4.127 -1.375 1.00 0.00 C ATOM 0 H MET A 35 -16.364 0.897 -1.933 1.00 0.00 H new ATOM 0 HA MET A 35 -15.490 -1.076 -3.931 1.00 0.00 H new ATOM 0 HB2 MET A 35 -15.138 -1.494 -1.480 1.00 0.00 H new ATOM 0 HB3 MET A 35 -16.864 -1.348 -1.212 1.00 0.00 H new ATOM 0 HG2 MET A 35 -16.962 -3.229 -3.144 1.00 0.00 H new ATOM 0 HG3 MET A 35 -15.335 -3.558 -2.582 1.00 0.00 H new ATOM 0 HE1 MET A 35 -19.306 -3.979 -0.504 1.00 0.00 H new ATOM 0 HE2 MET A 35 -18.887 -3.363 -2.121 1.00 0.00 H new ATOM 0 HE3 MET A 35 -18.855 -5.113 -1.800 1.00 0.00 H new ATOM 519 N ARG A 36 -17.695 -1.836 -4.787 1.00 0.00 N ATOM 520 CA ARG A 36 -18.953 -2.105 -5.462 1.00 0.00 C ATOM 521 C ARG A 36 -19.106 -3.605 -5.721 1.00 0.00 C ATOM 522 O ARG A 36 -18.121 -4.301 -5.964 1.00 0.00 O ATOM 523 CB ARG A 36 -19.035 -1.354 -6.793 1.00 0.00 C ATOM 524 CG ARG A 36 -20.342 -0.565 -6.898 1.00 0.00 C ATOM 525 CD ARG A 36 -20.797 -0.448 -8.354 1.00 0.00 C ATOM 526 NE ARG A 36 -22.168 0.104 -8.413 1.00 0.00 N ATOM 527 CZ ARG A 36 -22.816 0.387 -9.551 1.00 0.00 C ATOM 528 NH1 ARG A 36 -22.220 0.172 -10.732 1.00 0.00 N ATOM 529 NH2 ARG A 36 -24.059 0.886 -9.509 1.00 0.00 N ATOM 0 H ARG A 36 -16.902 -2.379 -5.130 1.00 0.00 H new ATOM 0 HA ARG A 36 -19.758 -1.761 -4.813 1.00 0.00 H new ATOM 0 HB2 ARG A 36 -18.188 -0.675 -6.884 1.00 0.00 H new ATOM 0 HB3 ARG A 36 -18.966 -2.062 -7.619 1.00 0.00 H new ATOM 0 HG2 ARG A 36 -21.116 -1.057 -6.310 1.00 0.00 H new ATOM 0 HG3 ARG A 36 -20.205 0.430 -6.475 1.00 0.00 H new ATOM 0 HD2 ARG A 36 -20.113 0.196 -8.907 1.00 0.00 H new ATOM 0 HD3 ARG A 36 -20.770 -1.427 -8.832 1.00 0.00 H new ATOM 0 HE ARG A 36 -22.650 0.280 -7.532 1.00 0.00 H new ATOM 0 HH11 ARG A 36 -21.274 -0.207 -10.764 1.00 0.00 H new ATOM 0 HH12 ARG A 36 -22.713 0.387 -11.599 1.00 0.00 H new ATOM 0 HH21 ARG A 36 -24.512 1.051 -8.610 1.00 0.00 H new ATOM 0 HH22 ARG A 36 -24.552 1.101 -10.376 1.00 0.00 H new ATOM 543 N THR A 37 -20.349 -4.060 -5.660 1.00 0.00 N ATOM 544 CA THR A 37 -20.644 -5.465 -5.884 1.00 0.00 C ATOM 545 C THR A 37 -22.157 -5.694 -5.914 1.00 0.00 C ATOM 546 O THR A 37 -22.928 -4.828 -5.503 1.00 0.00 O ATOM 547 CB THR A 37 -19.928 -6.277 -4.803 1.00 0.00 C ATOM 548 OG1 THR A 37 -19.904 -7.603 -5.324 1.00 0.00 O ATOM 549 CG2 THR A 37 -20.750 -6.395 -3.518 1.00 0.00 C ATOM 0 H THR A 37 -21.164 -3.480 -5.459 1.00 0.00 H new ATOM 0 HA THR A 37 -20.277 -5.796 -6.856 1.00 0.00 H new ATOM 0 HB THR A 37 -18.968 -5.814 -4.577 1.00 0.00 H new ATOM 0 HG1 THR A 37 -19.528 -8.211 -4.654 1.00 0.00 H new ATOM 0 HG21 THR A 37 -20.196 -6.981 -2.784 1.00 0.00 H new ATOM 0 HG22 THR A 37 -20.943 -5.400 -3.117 1.00 0.00 H new ATOM 0 HG23 THR A 37 -21.697 -6.889 -3.736 1.00 0.00 H new ATOM 557 N ASN A 38 -22.536 -6.865 -6.404 1.00 0.00 N ATOM 558 CA ASN A 38 -23.942 -7.219 -6.493 1.00 0.00 C ATOM 559 C ASN A 38 -24.183 -8.527 -5.737 1.00 0.00 C ATOM 560 O ASN A 38 -25.221 -9.164 -5.907 1.00 0.00 O ATOM 561 CB ASN A 38 -24.367 -7.429 -7.948 1.00 0.00 C ATOM 562 CG ASN A 38 -23.612 -8.603 -8.575 1.00 0.00 C ATOM 563 OD1 ASN A 38 -22.476 -8.894 -8.241 1.00 0.00 O ATOM 564 ND2 ASN A 38 -24.306 -9.258 -9.502 1.00 0.00 N ATOM 0 H ASN A 38 -21.894 -7.581 -6.744 1.00 0.00 H new ATOM 0 HA ASN A 38 -24.523 -6.403 -6.062 1.00 0.00 H new ATOM 0 HB2 ASN A 38 -25.440 -7.616 -7.994 1.00 0.00 H new ATOM 0 HB3 ASN A 38 -24.176 -6.522 -8.521 1.00 0.00 H new ATOM 0 HD21 ASN A 38 -23.890 -10.057 -9.981 1.00 0.00 H new ATOM 0 HD22 ASN A 38 -25.254 -8.961 -9.734 1.00 0.00 H new ATOM 571 N LEU A 39 -23.206 -8.890 -4.919 1.00 0.00 N ATOM 572 CA LEU A 39 -23.298 -10.110 -4.137 1.00 0.00 C ATOM 573 C LEU A 39 -24.127 -9.843 -2.879 1.00 0.00 C ATOM 574 O LEU A 39 -24.195 -8.711 -2.404 1.00 0.00 O ATOM 575 CB LEU A 39 -21.903 -10.668 -3.847 1.00 0.00 C ATOM 576 CG LEU A 39 -20.928 -10.682 -5.025 1.00 0.00 C ATOM 577 CD1 LEU A 39 -19.548 -11.178 -4.589 1.00 0.00 C ATOM 578 CD2 LEU A 39 -21.489 -11.498 -6.192 1.00 0.00 C ATOM 0 H LEU A 39 -22.346 -8.359 -4.781 1.00 0.00 H new ATOM 0 HA LEU A 39 -23.815 -10.886 -4.702 1.00 0.00 H new ATOM 0 HB2 LEU A 39 -21.460 -10.083 -3.041 1.00 0.00 H new ATOM 0 HB3 LEU A 39 -22.011 -11.688 -3.478 1.00 0.00 H new ATOM 0 HG LEU A 39 -20.805 -9.658 -5.378 1.00 0.00 H new ATOM 0 HD11 LEU A 39 -18.874 -11.178 -5.446 1.00 0.00 H new ATOM 0 HD12 LEU A 39 -19.152 -10.519 -3.816 1.00 0.00 H new ATOM 0 HD13 LEU A 39 -19.633 -12.190 -4.194 1.00 0.00 H new ATOM 0 HD21 LEU A 39 -20.776 -11.492 -7.016 1.00 0.00 H new ATOM 0 HD22 LEU A 39 -21.661 -12.525 -5.869 1.00 0.00 H new ATOM 0 HD23 LEU A 39 -22.430 -11.060 -6.523 1.00 0.00 H new ATOM 590 N PRO A 40 -24.754 -10.934 -2.361 1.00 0.00 N ATOM 591 CA PRO A 40 -25.576 -10.828 -1.168 1.00 0.00 C ATOM 592 C PRO A 40 -24.709 -10.689 0.085 1.00 0.00 C ATOM 593 O PRO A 40 -25.055 -9.951 1.006 1.00 0.00 O ATOM 594 CB PRO A 40 -26.428 -12.087 -1.164 1.00 0.00 C ATOM 595 CG PRO A 40 -25.728 -13.066 -2.093 1.00 0.00 C ATOM 596 CD PRO A 40 -24.697 -12.291 -2.897 1.00 0.00 C ATOM 0 HA PRO A 40 -26.205 -9.938 -1.168 1.00 0.00 H new ATOM 0 HB2 PRO A 40 -26.515 -12.497 -0.158 1.00 0.00 H new ATOM 0 HB3 PRO A 40 -27.440 -11.875 -1.510 1.00 0.00 H new ATOM 0 HG2 PRO A 40 -25.247 -13.859 -1.520 1.00 0.00 H new ATOM 0 HG3 PRO A 40 -26.449 -13.544 -2.757 1.00 0.00 H new ATOM 0 HD2 PRO A 40 -23.702 -12.720 -2.783 1.00 0.00 H new ATOM 0 HD3 PRO A 40 -24.931 -12.307 -3.961 1.00 0.00 H new ATOM 604 N ILE A 41 -23.598 -11.411 0.079 1.00 0.00 N ATOM 605 CA ILE A 41 -22.678 -11.378 1.204 1.00 0.00 C ATOM 606 C ILE A 41 -22.598 -9.951 1.749 1.00 0.00 C ATOM 607 O ILE A 41 -22.650 -9.741 2.960 1.00 0.00 O ATOM 608 CB ILE A 41 -21.321 -11.961 0.804 1.00 0.00 C ATOM 609 CG1 ILE A 41 -20.506 -10.948 -0.004 1.00 0.00 C ATOM 610 CG2 ILE A 41 -21.492 -13.285 0.057 1.00 0.00 C ATOM 611 CD1 ILE A 41 -19.084 -11.458 -0.247 1.00 0.00 C ATOM 0 H ILE A 41 -23.314 -12.022 -0.687 1.00 0.00 H new ATOM 0 HA ILE A 41 -23.043 -12.009 2.014 1.00 0.00 H new ATOM 0 HB ILE A 41 -20.759 -12.175 1.713 1.00 0.00 H new ATOM 0 HG12 ILE A 41 -20.997 -10.760 -0.959 1.00 0.00 H new ATOM 0 HG13 ILE A 41 -20.469 -9.998 0.529 1.00 0.00 H new ATOM 0 HG21 ILE A 41 -20.513 -13.678 -0.216 1.00 0.00 H new ATOM 0 HG22 ILE A 41 -22.004 -14.001 0.699 1.00 0.00 H new ATOM 0 HG23 ILE A 41 -22.081 -13.120 -0.845 1.00 0.00 H new ATOM 0 HD11 ILE A 41 -18.526 -10.720 -0.823 1.00 0.00 H new ATOM 0 HD12 ILE A 41 -18.588 -11.622 0.710 1.00 0.00 H new ATOM 0 HD13 ILE A 41 -19.124 -12.396 -0.801 1.00 0.00 H new ATOM 623 N PHE A 42 -22.472 -9.006 0.829 1.00 0.00 N ATOM 624 CA PHE A 42 -22.384 -7.604 1.202 1.00 0.00 C ATOM 625 C PHE A 42 -23.774 -7.013 1.445 1.00 0.00 C ATOM 626 O PHE A 42 -24.701 -7.261 0.675 1.00 0.00 O ATOM 627 CB PHE A 42 -21.728 -6.870 0.032 1.00 0.00 C ATOM 628 CG PHE A 42 -20.244 -7.194 -0.152 1.00 0.00 C ATOM 629 CD1 PHE A 42 -19.870 -8.279 -0.881 1.00 0.00 C ATOM 630 CD2 PHE A 42 -19.298 -6.395 0.412 1.00 0.00 C ATOM 631 CE1 PHE A 42 -18.493 -8.580 -1.052 1.00 0.00 C ATOM 632 CE2 PHE A 42 -17.921 -6.696 0.241 1.00 0.00 C ATOM 633 CZ PHE A 42 -17.547 -7.781 -0.487 1.00 0.00 C ATOM 0 H PHE A 42 -22.429 -9.184 -0.174 1.00 0.00 H new ATOM 0 HA PHE A 42 -21.808 -7.499 2.122 1.00 0.00 H new ATOM 0 HB2 PHE A 42 -22.261 -7.121 -0.885 1.00 0.00 H new ATOM 0 HB3 PHE A 42 -21.839 -5.796 0.182 1.00 0.00 H new ATOM 0 HD1 PHE A 42 -20.621 -8.912 -1.330 1.00 0.00 H new ATOM 0 HD2 PHE A 42 -19.594 -5.532 0.990 1.00 0.00 H new ATOM 0 HE1 PHE A 42 -18.196 -9.443 -1.630 1.00 0.00 H new ATOM 0 HE2 PHE A 42 -17.170 -6.062 0.690 1.00 0.00 H new ATOM 0 HZ PHE A 42 -16.499 -8.009 -0.617 1.00 0.00 H new ATOM 643 N LYS A 43 -23.876 -6.243 2.518 1.00 0.00 N ATOM 644 CA LYS A 43 -25.137 -5.615 2.872 1.00 0.00 C ATOM 645 C LYS A 43 -25.383 -4.419 1.949 1.00 0.00 C ATOM 646 O LYS A 43 -26.483 -4.249 1.427 1.00 0.00 O ATOM 647 CB LYS A 43 -25.160 -5.258 4.360 1.00 0.00 C ATOM 648 CG LYS A 43 -26.536 -4.737 4.778 1.00 0.00 C ATOM 649 CD LYS A 43 -26.424 -3.794 5.978 1.00 0.00 C ATOM 650 CE LYS A 43 -27.510 -4.094 7.013 1.00 0.00 C ATOM 651 NZ LYS A 43 -28.494 -2.990 7.067 1.00 0.00 N ATOM 0 H LYS A 43 -23.105 -6.040 3.154 1.00 0.00 H new ATOM 0 HA LYS A 43 -25.963 -6.310 2.722 1.00 0.00 H new ATOM 0 HB2 LYS A 43 -24.905 -6.137 4.952 1.00 0.00 H new ATOM 0 HB3 LYS A 43 -24.403 -4.502 4.568 1.00 0.00 H new ATOM 0 HG2 LYS A 43 -27.000 -4.214 3.942 1.00 0.00 H new ATOM 0 HG3 LYS A 43 -27.185 -5.576 5.029 1.00 0.00 H new ATOM 0 HD2 LYS A 43 -25.441 -3.898 6.437 1.00 0.00 H new ATOM 0 HD3 LYS A 43 -26.512 -2.761 5.643 1.00 0.00 H new ATOM 0 HE2 LYS A 43 -28.014 -5.026 6.760 1.00 0.00 H new ATOM 0 HE3 LYS A 43 -27.057 -4.233 7.994 1.00 0.00 H new ATOM 0 HZ1 LYS A 43 -29.224 -3.210 7.774 1.00 0.00 H new ATOM 0 HZ2 LYS A 43 -28.011 -2.107 7.330 1.00 0.00 H new ATOM 0 HZ3 LYS A 43 -28.939 -2.876 6.134 1.00 0.00 H new ATOM 665 N LEU A 44 -24.339 -3.621 1.777 1.00 0.00 N ATOM 666 CA LEU A 44 -24.428 -2.446 0.927 1.00 0.00 C ATOM 667 C LEU A 44 -23.862 -2.779 -0.456 1.00 0.00 C ATOM 668 O LEU A 44 -22.960 -3.606 -0.579 1.00 0.00 O ATOM 669 CB LEU A 44 -23.751 -1.248 1.596 1.00 0.00 C ATOM 670 CG LEU A 44 -23.946 -1.126 3.108 1.00 0.00 C ATOM 671 CD1 LEU A 44 -23.225 0.106 3.657 1.00 0.00 C ATOM 672 CD2 LEU A 44 -25.433 -1.129 3.471 1.00 0.00 C ATOM 0 H LEU A 44 -23.428 -3.765 2.212 1.00 0.00 H new ATOM 0 HA LEU A 44 -25.469 -2.156 0.785 1.00 0.00 H new ATOM 0 HB2 LEU A 44 -22.682 -1.299 1.390 1.00 0.00 H new ATOM 0 HB3 LEU A 44 -24.123 -0.337 1.127 1.00 0.00 H new ATOM 0 HG LEU A 44 -23.497 -1.999 3.581 1.00 0.00 H new ATOM 0 HD11 LEU A 44 -23.380 0.169 4.734 1.00 0.00 H new ATOM 0 HD12 LEU A 44 -22.158 0.026 3.448 1.00 0.00 H new ATOM 0 HD13 LEU A 44 -23.622 1.002 3.181 1.00 0.00 H new ATOM 0 HD21 LEU A 44 -25.544 -1.041 4.552 1.00 0.00 H new ATOM 0 HD22 LEU A 44 -25.928 -0.288 2.986 1.00 0.00 H new ATOM 0 HD23 LEU A 44 -25.888 -2.061 3.134 1.00 0.00 H new ATOM 684 N LYS A 45 -24.416 -2.118 -1.461 1.00 0.00 N ATOM 685 CA LYS A 45 -23.979 -2.333 -2.830 1.00 0.00 C ATOM 686 C LYS A 45 -22.734 -1.485 -3.102 1.00 0.00 C ATOM 687 O LYS A 45 -21.835 -1.910 -3.826 1.00 0.00 O ATOM 688 CB LYS A 45 -25.126 -2.071 -3.807 1.00 0.00 C ATOM 689 CG LYS A 45 -26.336 -2.949 -3.480 1.00 0.00 C ATOM 690 CD LYS A 45 -26.150 -4.365 -4.030 1.00 0.00 C ATOM 691 CE LYS A 45 -27.409 -5.206 -3.814 1.00 0.00 C ATOM 692 NZ LYS A 45 -28.321 -5.082 -4.973 1.00 0.00 N ATOM 0 H LYS A 45 -25.164 -1.433 -1.355 1.00 0.00 H new ATOM 0 HA LYS A 45 -23.696 -3.375 -2.980 1.00 0.00 H new ATOM 0 HB2 LYS A 45 -25.412 -1.020 -3.764 1.00 0.00 H new ATOM 0 HB3 LYS A 45 -24.793 -2.269 -4.826 1.00 0.00 H new ATOM 0 HG2 LYS A 45 -26.479 -2.990 -2.400 1.00 0.00 H new ATOM 0 HG3 LYS A 45 -27.237 -2.506 -3.904 1.00 0.00 H new ATOM 0 HD2 LYS A 45 -25.918 -4.318 -5.094 1.00 0.00 H new ATOM 0 HD3 LYS A 45 -25.301 -4.841 -3.539 1.00 0.00 H new ATOM 0 HE2 LYS A 45 -27.135 -6.251 -3.670 1.00 0.00 H new ATOM 0 HE3 LYS A 45 -27.919 -4.882 -2.907 1.00 0.00 H new ATOM 0 HZ1 LYS A 45 -29.170 -5.659 -4.810 1.00 0.00 H new ATOM 0 HZ2 LYS A 45 -28.597 -4.086 -5.093 1.00 0.00 H new ATOM 0 HZ3 LYS A 45 -27.837 -5.413 -5.832 1.00 0.00 H new ATOM 706 N GLU A 46 -22.722 -0.301 -2.507 1.00 0.00 N ATOM 707 CA GLU A 46 -21.603 0.610 -2.676 1.00 0.00 C ATOM 708 C GLU A 46 -21.456 1.505 -1.444 1.00 0.00 C ATOM 709 O GLU A 46 -22.451 1.911 -0.845 1.00 0.00 O ATOM 710 CB GLU A 46 -21.764 1.447 -3.946 1.00 0.00 C ATOM 711 CG GLU A 46 -20.629 2.464 -4.081 1.00 0.00 C ATOM 712 CD GLU A 46 -20.917 3.462 -5.204 1.00 0.00 C ATOM 713 OE1 GLU A 46 -21.896 4.224 -5.049 1.00 0.00 O ATOM 714 OE2 GLU A 46 -20.152 3.441 -6.193 1.00 0.00 O ATOM 0 H GLU A 46 -23.470 0.048 -1.907 1.00 0.00 H new ATOM 0 HA GLU A 46 -20.693 0.020 -2.783 1.00 0.00 H new ATOM 0 HB2 GLU A 46 -21.776 0.793 -4.818 1.00 0.00 H new ATOM 0 HB3 GLU A 46 -22.722 1.967 -3.924 1.00 0.00 H new ATOM 0 HG2 GLU A 46 -20.501 2.998 -3.139 1.00 0.00 H new ATOM 0 HG3 GLU A 46 -19.692 1.944 -4.283 1.00 0.00 H new ATOM 721 N SER A 47 -20.207 1.787 -1.102 1.00 0.00 N ATOM 722 CA SER A 47 -19.918 2.627 0.048 1.00 0.00 C ATOM 723 C SER A 47 -18.552 3.295 -0.123 1.00 0.00 C ATOM 724 O SER A 47 -17.621 2.687 -0.648 1.00 0.00 O ATOM 725 CB SER A 47 -19.954 1.816 1.345 1.00 0.00 C ATOM 726 OG SER A 47 -19.347 0.536 1.191 1.00 0.00 O ATOM 0 H SER A 47 -19.384 1.449 -1.601 1.00 0.00 H new ATOM 0 HA SER A 47 -20.687 3.397 0.112 1.00 0.00 H new ATOM 0 HB2 SER A 47 -19.441 2.368 2.132 1.00 0.00 H new ATOM 0 HB3 SER A 47 -20.988 1.691 1.666 1.00 0.00 H new ATOM 0 HG SER A 47 -18.402 0.589 1.446 1.00 0.00 H new ATOM 732 N CYS A 48 -18.476 4.538 0.330 1.00 0.00 N ATOM 733 CA CYS A 48 -17.240 5.295 0.234 1.00 0.00 C ATOM 734 C CYS A 48 -16.675 5.473 1.644 1.00 0.00 C ATOM 735 O CYS A 48 -17.323 6.064 2.507 1.00 0.00 O ATOM 736 CB CYS A 48 -17.452 6.638 -0.469 1.00 0.00 C ATOM 737 SG CYS A 48 -17.911 6.362 -2.219 1.00 0.00 S ATOM 0 H CYS A 48 -19.251 5.040 0.764 1.00 0.00 H new ATOM 0 HA CYS A 48 -16.523 4.748 -0.378 1.00 0.00 H new ATOM 0 HB2 CYS A 48 -18.235 7.203 0.036 1.00 0.00 H new ATOM 0 HB3 CYS A 48 -16.542 7.235 -0.413 1.00 0.00 H new ATOM 0 HG CYS A 48 -18.091 7.508 -2.806 1.00 0.00 H new ATOM 743 N VAL A 49 -15.472 4.951 1.836 1.00 0.00 N ATOM 744 CA VAL A 49 -14.812 5.045 3.127 1.00 0.00 C ATOM 745 C VAL A 49 -13.366 5.499 2.923 1.00 0.00 C ATOM 746 O VAL A 49 -12.949 5.772 1.799 1.00 0.00 O ATOM 747 CB VAL A 49 -14.922 3.711 3.868 1.00 0.00 C ATOM 748 CG1 VAL A 49 -16.386 3.319 4.078 1.00 0.00 C ATOM 749 CG2 VAL A 49 -14.159 2.609 3.129 1.00 0.00 C ATOM 0 H VAL A 49 -14.937 4.461 1.119 1.00 0.00 H new ATOM 0 HA VAL A 49 -15.301 5.791 3.754 1.00 0.00 H new ATOM 0 HB VAL A 49 -14.465 3.834 4.850 1.00 0.00 H new ATOM 0 HG11 VAL A 49 -16.436 2.367 4.607 1.00 0.00 H new ATOM 0 HG12 VAL A 49 -16.888 4.087 4.666 1.00 0.00 H new ATOM 0 HG13 VAL A 49 -16.879 3.223 3.111 1.00 0.00 H new ATOM 0 HG21 VAL A 49 -14.253 1.671 3.677 1.00 0.00 H new ATOM 0 HG22 VAL A 49 -14.573 2.488 2.128 1.00 0.00 H new ATOM 0 HG23 VAL A 49 -13.106 2.882 3.055 1.00 0.00 H new ATOM 759 N ARG A 50 -12.639 5.567 4.029 1.00 0.00 N ATOM 760 CA ARG A 50 -11.248 5.983 3.987 1.00 0.00 C ATOM 761 C ARG A 50 -10.377 5.008 4.781 1.00 0.00 C ATOM 762 O ARG A 50 -10.568 4.838 5.985 1.00 0.00 O ATOM 763 CB ARG A 50 -11.077 7.392 4.560 1.00 0.00 C ATOM 764 CG ARG A 50 -10.856 8.414 3.443 1.00 0.00 C ATOM 765 CD ARG A 50 -11.074 9.840 3.955 1.00 0.00 C ATOM 766 NE ARG A 50 -11.442 10.730 2.832 1.00 0.00 N ATOM 767 CZ ARG A 50 -11.845 11.999 2.980 1.00 0.00 C ATOM 768 NH1 ARG A 50 -11.934 12.535 4.205 1.00 0.00 N ATOM 769 NH2 ARG A 50 -12.159 12.733 1.903 1.00 0.00 N ATOM 0 H ARG A 50 -12.988 5.341 4.960 1.00 0.00 H new ATOM 0 HA ARG A 50 -10.935 5.987 2.943 1.00 0.00 H new ATOM 0 HB2 ARG A 50 -11.961 7.664 5.137 1.00 0.00 H new ATOM 0 HB3 ARG A 50 -10.231 7.409 5.247 1.00 0.00 H new ATOM 0 HG2 ARG A 50 -9.844 8.315 3.050 1.00 0.00 H new ATOM 0 HG3 ARG A 50 -11.540 8.211 2.619 1.00 0.00 H new ATOM 0 HD2 ARG A 50 -11.861 9.848 4.709 1.00 0.00 H new ATOM 0 HD3 ARG A 50 -10.167 10.205 4.437 1.00 0.00 H new ATOM 0 HE ARG A 50 -11.385 10.354 1.886 1.00 0.00 H new ATOM 0 HH11 ARG A 50 -11.695 11.977 5.025 1.00 0.00 H new ATOM 0 HH12 ARG A 50 -12.241 13.501 4.318 1.00 0.00 H new ATOM 0 HH21 ARG A 50 -12.091 12.325 0.971 1.00 0.00 H new ATOM 0 HH22 ARG A 50 -12.466 13.699 2.016 1.00 0.00 H new ATOM 783 N ARG A 51 -9.440 4.391 4.076 1.00 0.00 N ATOM 784 CA ARG A 51 -8.539 3.437 4.700 1.00 0.00 C ATOM 785 C ARG A 51 -7.091 3.742 4.312 1.00 0.00 C ATOM 786 O ARG A 51 -6.770 3.843 3.129 1.00 0.00 O ATOM 787 CB ARG A 51 -8.881 2.005 4.286 1.00 0.00 C ATOM 788 CG ARG A 51 -8.993 1.092 5.508 1.00 0.00 C ATOM 789 CD ARG A 51 -10.062 1.601 6.477 1.00 0.00 C ATOM 790 NE ARG A 51 -9.502 1.698 7.843 1.00 0.00 N ATOM 791 CZ ARG A 51 -9.999 2.488 8.804 1.00 0.00 C ATOM 792 NH1 ARG A 51 -11.069 3.255 8.554 1.00 0.00 N ATOM 793 NH2 ARG A 51 -9.426 2.512 10.016 1.00 0.00 N ATOM 0 H ARG A 51 -9.285 4.533 3.078 1.00 0.00 H new ATOM 0 HA ARG A 51 -8.655 3.528 5.780 1.00 0.00 H new ATOM 0 HB2 ARG A 51 -9.821 1.997 3.734 1.00 0.00 H new ATOM 0 HB3 ARG A 51 -8.113 1.624 3.613 1.00 0.00 H new ATOM 0 HG2 ARG A 51 -9.239 0.079 5.188 1.00 0.00 H new ATOM 0 HG3 ARG A 51 -8.031 1.040 6.017 1.00 0.00 H new ATOM 0 HD2 ARG A 51 -10.423 2.577 6.153 1.00 0.00 H new ATOM 0 HD3 ARG A 51 -10.919 0.927 6.473 1.00 0.00 H new ATOM 0 HE ARG A 51 -8.687 1.128 8.067 1.00 0.00 H new ATOM 0 HH11 ARG A 51 -11.505 3.237 7.632 1.00 0.00 H new ATOM 0 HH12 ARG A 51 -11.447 3.857 9.286 1.00 0.00 H new ATOM 0 HH21 ARG A 51 -8.611 1.929 10.207 1.00 0.00 H new ATOM 0 HH22 ARG A 51 -9.805 3.114 10.747 1.00 0.00 H new ATOM 807 N ARG A 52 -6.255 3.880 5.331 1.00 0.00 N ATOM 808 CA ARG A 52 -4.849 4.171 5.111 1.00 0.00 C ATOM 809 C ARG A 52 -4.096 2.894 4.730 1.00 0.00 C ATOM 810 O ARG A 52 -4.689 1.819 4.654 1.00 0.00 O ATOM 811 CB ARG A 52 -4.210 4.778 6.361 1.00 0.00 C ATOM 812 CG ARG A 52 -3.553 6.123 6.044 1.00 0.00 C ATOM 813 CD ARG A 52 -2.028 6.004 6.051 1.00 0.00 C ATOM 814 NE ARG A 52 -1.487 6.355 4.719 1.00 0.00 N ATOM 815 CZ ARG A 52 -0.179 6.422 4.433 1.00 0.00 C ATOM 816 NH1 ARG A 52 0.728 6.163 5.384 1.00 0.00 N ATOM 817 NH2 ARG A 52 0.221 6.749 3.197 1.00 0.00 N ATOM 0 H ARG A 52 -6.525 3.796 6.311 1.00 0.00 H new ATOM 0 HA ARG A 52 -4.783 4.893 4.297 1.00 0.00 H new ATOM 0 HB2 ARG A 52 -4.968 4.913 7.132 1.00 0.00 H new ATOM 0 HB3 ARG A 52 -3.465 4.091 6.763 1.00 0.00 H new ATOM 0 HG2 ARG A 52 -3.889 6.475 5.069 1.00 0.00 H new ATOM 0 HG3 ARG A 52 -3.867 6.867 6.777 1.00 0.00 H new ATOM 0 HD2 ARG A 52 -1.607 6.664 6.809 1.00 0.00 H new ATOM 0 HD3 ARG A 52 -1.735 4.988 6.315 1.00 0.00 H new ATOM 0 HE ARG A 52 -2.151 6.559 3.972 1.00 0.00 H new ATOM 0 HH11 ARG A 52 0.423 5.915 6.325 1.00 0.00 H new ATOM 0 HH12 ARG A 52 1.723 6.214 5.167 1.00 0.00 H new ATOM 0 HH21 ARG A 52 -0.470 6.947 2.473 1.00 0.00 H new ATOM 0 HH22 ARG A 52 1.216 6.800 2.980 1.00 0.00 H new ATOM 831 N TYR A 53 -2.801 3.055 4.501 1.00 0.00 N ATOM 832 CA TYR A 53 -1.961 1.929 4.130 1.00 0.00 C ATOM 833 C TYR A 53 -1.682 1.032 5.338 1.00 0.00 C ATOM 834 O TYR A 53 -1.540 -0.181 5.195 1.00 0.00 O ATOM 835 CB TYR A 53 -0.642 2.530 3.640 1.00 0.00 C ATOM 836 CG TYR A 53 0.506 1.523 3.552 1.00 0.00 C ATOM 837 CD1 TYR A 53 0.499 0.554 2.569 1.00 0.00 C ATOM 838 CD2 TYR A 53 1.548 1.583 4.454 1.00 0.00 C ATOM 839 CE1 TYR A 53 1.579 -0.395 2.485 1.00 0.00 C ATOM 840 CE2 TYR A 53 2.629 0.634 4.370 1.00 0.00 C ATOM 841 CZ TYR A 53 2.591 -0.308 3.390 1.00 0.00 C ATOM 842 OH TYR A 53 3.611 -1.203 3.311 1.00 0.00 O ATOM 0 H TYR A 53 -2.313 3.948 4.565 1.00 0.00 H new ATOM 0 HA TYR A 53 -2.450 1.319 3.370 1.00 0.00 H new ATOM 0 HB2 TYR A 53 -0.800 2.973 2.656 1.00 0.00 H new ATOM 0 HB3 TYR A 53 -0.352 3.339 4.311 1.00 0.00 H new ATOM 0 HD1 TYR A 53 -0.317 0.507 1.863 1.00 0.00 H new ATOM 0 HD2 TYR A 53 1.554 2.341 5.223 1.00 0.00 H new ATOM 0 HE1 TYR A 53 1.585 -1.158 1.721 1.00 0.00 H new ATOM 0 HE2 TYR A 53 3.451 0.670 5.070 1.00 0.00 H new ATOM 0 HH TYR A 53 4.262 -1.020 4.020 1.00 0.00 H new ATOM 852 N SER A 54 -1.610 1.664 6.500 1.00 0.00 N ATOM 853 CA SER A 54 -1.351 0.939 7.732 1.00 0.00 C ATOM 854 C SER A 54 -2.539 0.036 8.068 1.00 0.00 C ATOM 855 O SER A 54 -2.358 -1.076 8.563 1.00 0.00 O ATOM 856 CB SER A 54 -1.071 1.900 8.889 1.00 0.00 C ATOM 857 OG SER A 54 0.318 2.196 9.013 1.00 0.00 O ATOM 0 H SER A 54 -1.727 2.671 6.614 1.00 0.00 H new ATOM 0 HA SER A 54 -0.464 0.322 7.585 1.00 0.00 H new ATOM 0 HB2 SER A 54 -1.626 2.825 8.734 1.00 0.00 H new ATOM 0 HB3 SER A 54 -1.433 1.462 9.819 1.00 0.00 H new ATOM 0 HG SER A 54 0.455 2.814 9.761 1.00 0.00 H new ATOM 863 N ASP A 55 -3.728 0.547 7.785 1.00 0.00 N ATOM 864 CA ASP A 55 -4.946 -0.200 8.051 1.00 0.00 C ATOM 865 C ASP A 55 -4.857 -1.570 7.377 1.00 0.00 C ATOM 866 O ASP A 55 -5.062 -2.597 8.021 1.00 0.00 O ATOM 867 CB ASP A 55 -6.171 0.525 7.489 1.00 0.00 C ATOM 868 CG ASP A 55 -6.364 1.956 7.995 1.00 0.00 C ATOM 869 OD1 ASP A 55 -5.672 2.310 8.974 1.00 0.00 O ATOM 870 OD2 ASP A 55 -7.200 2.663 7.392 1.00 0.00 O ATOM 0 H ASP A 55 -3.874 1.469 7.374 1.00 0.00 H new ATOM 0 HA ASP A 55 -5.050 -0.300 9.131 1.00 0.00 H new ATOM 0 HB2 ASP A 55 -6.094 0.547 6.402 1.00 0.00 H new ATOM 0 HB3 ASP A 55 -7.061 -0.054 7.734 1.00 0.00 H new ATOM 875 N PHE A 56 -4.551 -1.541 6.088 1.00 0.00 N ATOM 876 CA PHE A 56 -4.432 -2.768 5.319 1.00 0.00 C ATOM 877 C PHE A 56 -3.507 -3.766 6.019 1.00 0.00 C ATOM 878 O PHE A 56 -3.829 -4.949 6.123 1.00 0.00 O ATOM 879 CB PHE A 56 -3.825 -2.391 3.966 1.00 0.00 C ATOM 880 CG PHE A 56 -4.847 -1.889 2.944 1.00 0.00 C ATOM 881 CD1 PHE A 56 -5.624 -2.777 2.267 1.00 0.00 C ATOM 882 CD2 PHE A 56 -4.979 -0.556 2.713 1.00 0.00 C ATOM 883 CE1 PHE A 56 -6.572 -2.311 1.318 1.00 0.00 C ATOM 884 CE2 PHE A 56 -5.927 -0.090 1.764 1.00 0.00 C ATOM 885 CZ PHE A 56 -6.704 -0.978 1.087 1.00 0.00 C ATOM 0 H PHE A 56 -4.382 -0.687 5.557 1.00 0.00 H new ATOM 0 HA PHE A 56 -5.411 -3.235 5.210 1.00 0.00 H new ATOM 0 HB2 PHE A 56 -3.071 -1.619 4.120 1.00 0.00 H new ATOM 0 HB3 PHE A 56 -3.312 -3.260 3.555 1.00 0.00 H new ATOM 0 HD1 PHE A 56 -5.520 -3.836 2.451 1.00 0.00 H new ATOM 0 HD2 PHE A 56 -4.363 0.149 3.251 1.00 0.00 H new ATOM 0 HE1 PHE A 56 -7.188 -3.016 0.780 1.00 0.00 H new ATOM 0 HE2 PHE A 56 -6.031 0.969 1.580 1.00 0.00 H new ATOM 0 HZ PHE A 56 -7.426 -0.624 0.366 1.00 0.00 H new ATOM 895 N GLU A 57 -2.376 -3.253 6.481 1.00 0.00 N ATOM 896 CA GLU A 57 -1.403 -4.084 7.168 1.00 0.00 C ATOM 897 C GLU A 57 -2.066 -4.830 8.328 1.00 0.00 C ATOM 898 O GLU A 57 -1.650 -5.932 8.681 1.00 0.00 O ATOM 899 CB GLU A 57 -0.217 -3.250 7.658 1.00 0.00 C ATOM 900 CG GLU A 57 0.983 -3.399 6.721 1.00 0.00 C ATOM 901 CD GLU A 57 2.298 -3.222 7.482 1.00 0.00 C ATOM 902 OE1 GLU A 57 2.355 -2.283 8.305 1.00 0.00 O ATOM 903 OE2 GLU A 57 3.216 -4.030 7.224 1.00 0.00 O ATOM 0 H GLU A 57 -2.112 -2.272 6.393 1.00 0.00 H new ATOM 0 HA GLU A 57 -1.019 -4.820 6.461 1.00 0.00 H new ATOM 0 HB2 GLU A 57 -0.506 -2.201 7.720 1.00 0.00 H new ATOM 0 HB3 GLU A 57 0.062 -3.564 8.664 1.00 0.00 H new ATOM 0 HG2 GLU A 57 0.961 -4.382 6.250 1.00 0.00 H new ATOM 0 HG3 GLU A 57 0.919 -2.660 5.922 1.00 0.00 H new ATOM 910 N TRP A 58 -3.086 -4.197 8.890 1.00 0.00 N ATOM 911 CA TRP A 58 -3.810 -4.787 10.003 1.00 0.00 C ATOM 912 C TRP A 58 -4.830 -5.775 9.433 1.00 0.00 C ATOM 913 O TRP A 58 -4.995 -6.874 9.960 1.00 0.00 O ATOM 914 CB TRP A 58 -4.449 -3.705 10.876 1.00 0.00 C ATOM 915 CG TRP A 58 -5.411 -4.247 11.935 1.00 0.00 C ATOM 916 CD1 TRP A 58 -5.177 -4.438 13.241 1.00 0.00 C ATOM 917 CD2 TRP A 58 -6.777 -4.662 11.724 1.00 0.00 C ATOM 918 NE1 TRP A 58 -6.288 -4.945 13.884 1.00 0.00 N ATOM 919 CE2 TRP A 58 -7.292 -5.085 12.933 1.00 0.00 C ATOM 920 CE3 TRP A 58 -7.551 -4.680 10.551 1.00 0.00 C ATOM 921 CZ2 TRP A 58 -8.601 -5.556 13.085 1.00 0.00 C ATOM 922 CZ3 TRP A 58 -8.858 -5.154 10.720 1.00 0.00 C ATOM 923 CH2 TRP A 58 -9.391 -5.583 11.930 1.00 0.00 C ATOM 0 H TRP A 58 -3.428 -3.282 8.595 1.00 0.00 H new ATOM 0 HA TRP A 58 -3.131 -5.329 10.661 1.00 0.00 H new ATOM 0 HB2 TRP A 58 -3.660 -3.140 11.372 1.00 0.00 H new ATOM 0 HB3 TRP A 58 -4.987 -3.006 10.235 1.00 0.00 H new ATOM 0 HD1 TRP A 58 -4.238 -4.222 13.728 1.00 0.00 H new ATOM 0 HE1 TRP A 58 -6.359 -5.175 14.875 1.00 0.00 H new ATOM 0 HE3 TRP A 58 -7.168 -4.354 9.595 1.00 0.00 H new ATOM 0 HZ2 TRP A 58 -8.981 -5.881 14.042 1.00 0.00 H new ATOM 0 HZ3 TRP A 58 -9.496 -5.189 9.849 1.00 0.00 H new ATOM 0 HH2 TRP A 58 -10.411 -5.936 11.979 1.00 0.00 H new ATOM 934 N LEU A 59 -5.487 -5.347 8.365 1.00 0.00 N ATOM 935 CA LEU A 59 -6.487 -6.181 7.719 1.00 0.00 C ATOM 936 C LEU A 59 -5.831 -7.479 7.243 1.00 0.00 C ATOM 937 O LEU A 59 -6.278 -8.569 7.595 1.00 0.00 O ATOM 938 CB LEU A 59 -7.193 -5.404 6.606 1.00 0.00 C ATOM 939 CG LEU A 59 -7.423 -6.165 5.298 1.00 0.00 C ATOM 940 CD1 LEU A 59 -8.480 -7.257 5.478 1.00 0.00 C ATOM 941 CD2 LEU A 59 -7.777 -5.206 4.160 1.00 0.00 C ATOM 0 H LEU A 59 -5.347 -4.435 7.931 1.00 0.00 H new ATOM 0 HA LEU A 59 -7.268 -6.459 8.427 1.00 0.00 H new ATOM 0 HB2 LEU A 59 -8.159 -5.067 6.982 1.00 0.00 H new ATOM 0 HB3 LEU A 59 -6.608 -4.511 6.386 1.00 0.00 H new ATOM 0 HG LEU A 59 -6.492 -6.660 5.023 1.00 0.00 H new ATOM 0 HD11 LEU A 59 -8.625 -7.783 4.534 1.00 0.00 H new ATOM 0 HD12 LEU A 59 -8.148 -7.963 6.239 1.00 0.00 H new ATOM 0 HD13 LEU A 59 -9.421 -6.804 5.789 1.00 0.00 H new ATOM 0 HD21 LEU A 59 -7.935 -5.773 3.242 1.00 0.00 H new ATOM 0 HD22 LEU A 59 -8.687 -4.662 4.412 1.00 0.00 H new ATOM 0 HD23 LEU A 59 -6.961 -4.499 4.013 1.00 0.00 H new ATOM 953 N LYS A 60 -4.783 -7.318 6.449 1.00 0.00 N ATOM 954 CA LYS A 60 -4.061 -8.464 5.921 1.00 0.00 C ATOM 955 C LYS A 60 -3.803 -9.463 7.050 1.00 0.00 C ATOM 956 O LYS A 60 -4.322 -10.578 7.028 1.00 0.00 O ATOM 957 CB LYS A 60 -2.791 -8.010 5.199 1.00 0.00 C ATOM 958 CG LYS A 60 -1.741 -9.123 5.185 1.00 0.00 C ATOM 959 CD LYS A 60 -0.558 -8.751 4.289 1.00 0.00 C ATOM 960 CE LYS A 60 0.193 -10.000 3.825 1.00 0.00 C ATOM 961 NZ LYS A 60 0.701 -10.761 4.988 1.00 0.00 N ATOM 0 H LYS A 60 -4.416 -6.412 6.158 1.00 0.00 H new ATOM 0 HA LYS A 60 -4.660 -8.979 5.170 1.00 0.00 H new ATOM 0 HB2 LYS A 60 -3.033 -7.721 4.176 1.00 0.00 H new ATOM 0 HB3 LYS A 60 -2.384 -7.127 5.692 1.00 0.00 H new ATOM 0 HG2 LYS A 60 -1.389 -9.308 6.200 1.00 0.00 H new ATOM 0 HG3 LYS A 60 -2.193 -10.049 4.830 1.00 0.00 H new ATOM 0 HD2 LYS A 60 -0.915 -8.194 3.423 1.00 0.00 H new ATOM 0 HD3 LYS A 60 0.122 -8.095 4.832 1.00 0.00 H new ATOM 0 HE2 LYS A 60 -0.469 -10.630 3.232 1.00 0.00 H new ATOM 0 HE3 LYS A 60 1.023 -9.714 3.180 1.00 0.00 H new ATOM 0 HZ1 LYS A 60 1.373 -11.485 4.663 1.00 0.00 H new ATOM 0 HZ2 LYS A 60 1.181 -10.113 5.644 1.00 0.00 H new ATOM 0 HZ3 LYS A 60 -0.094 -11.222 5.476 1.00 0.00 H new ATOM 975 N ASN A 61 -3.002 -9.028 8.011 1.00 0.00 N ATOM 976 CA ASN A 61 -2.669 -9.870 9.147 1.00 0.00 C ATOM 977 C ASN A 61 -3.948 -10.497 9.704 1.00 0.00 C ATOM 978 O ASN A 61 -4.002 -11.704 9.937 1.00 0.00 O ATOM 979 CB ASN A 61 -2.016 -9.055 10.265 1.00 0.00 C ATOM 980 CG ASN A 61 -1.343 -9.970 11.290 1.00 0.00 C ATOM 981 OD1 ASN A 61 -0.210 -10.394 11.133 1.00 0.00 O ATOM 982 ND2 ASN A 61 -2.102 -10.251 12.345 1.00 0.00 N ATOM 0 H ASN A 61 -2.573 -8.103 8.026 1.00 0.00 H new ATOM 0 HA ASN A 61 -1.973 -10.636 8.806 1.00 0.00 H new ATOM 0 HB2 ASN A 61 -1.278 -8.374 9.840 1.00 0.00 H new ATOM 0 HB3 ASN A 61 -2.769 -8.441 10.759 1.00 0.00 H new ATOM 0 HD21 ASN A 61 -1.744 -10.855 13.085 1.00 0.00 H new ATOM 0 HD22 ASN A 61 -3.043 -9.863 12.414 1.00 0.00 H new ATOM 989 N GLU A 62 -4.947 -9.649 9.902 1.00 0.00 N ATOM 990 CA GLU A 62 -6.223 -10.105 10.428 1.00 0.00 C ATOM 991 C GLU A 62 -6.645 -11.405 9.741 1.00 0.00 C ATOM 992 O GLU A 62 -7.077 -12.348 10.402 1.00 0.00 O ATOM 993 CB GLU A 62 -7.297 -9.027 10.270 1.00 0.00 C ATOM 994 CG GLU A 62 -7.987 -8.741 11.605 1.00 0.00 C ATOM 995 CD GLU A 62 -9.331 -9.466 11.695 1.00 0.00 C ATOM 996 OE1 GLU A 62 -9.530 -10.394 10.881 1.00 0.00 O ATOM 997 OE2 GLU A 62 -10.129 -9.076 12.575 1.00 0.00 O ATOM 0 H GLU A 62 -4.899 -8.649 9.708 1.00 0.00 H new ATOM 0 HA GLU A 62 -6.106 -10.301 11.494 1.00 0.00 H new ATOM 0 HB2 GLU A 62 -6.845 -8.112 9.887 1.00 0.00 H new ATOM 0 HB3 GLU A 62 -8.036 -9.349 9.536 1.00 0.00 H new ATOM 0 HG2 GLU A 62 -7.344 -9.058 12.426 1.00 0.00 H new ATOM 0 HG3 GLU A 62 -8.141 -7.668 11.716 1.00 0.00 H new ATOM 1004 N LEU A 63 -6.507 -11.413 8.424 1.00 0.00 N ATOM 1005 CA LEU A 63 -6.869 -12.583 7.640 1.00 0.00 C ATOM 1006 C LEU A 63 -5.953 -13.748 8.018 1.00 0.00 C ATOM 1007 O LEU A 63 -6.397 -14.893 8.091 1.00 0.00 O ATOM 1008 CB LEU A 63 -6.858 -12.251 6.147 1.00 0.00 C ATOM 1009 CG LEU A 63 -7.999 -11.361 5.649 1.00 0.00 C ATOM 1010 CD1 LEU A 63 -7.671 -10.765 4.279 1.00 0.00 C ATOM 1011 CD2 LEU A 63 -9.325 -12.124 5.639 1.00 0.00 C ATOM 0 H LEU A 63 -6.150 -10.628 7.879 1.00 0.00 H new ATOM 0 HA LEU A 63 -7.889 -12.893 7.866 1.00 0.00 H new ATOM 0 HB2 LEU A 63 -5.913 -11.762 5.911 1.00 0.00 H new ATOM 0 HB3 LEU A 63 -6.882 -13.186 5.587 1.00 0.00 H new ATOM 0 HG LEU A 63 -8.111 -10.529 6.344 1.00 0.00 H new ATOM 0 HD11 LEU A 63 -8.498 -10.137 3.948 1.00 0.00 H new ATOM 0 HD12 LEU A 63 -6.765 -10.164 4.351 1.00 0.00 H new ATOM 0 HD13 LEU A 63 -7.516 -11.569 3.560 1.00 0.00 H new ATOM 0 HD21 LEU A 63 -10.119 -11.469 5.281 1.00 0.00 H new ATOM 0 HD22 LEU A 63 -9.243 -12.988 4.980 1.00 0.00 H new ATOM 0 HD23 LEU A 63 -9.559 -12.460 6.649 1.00 0.00 H new ATOM 1023 N GLU A 64 -4.691 -13.417 8.249 1.00 0.00 N ATOM 1024 CA GLU A 64 -3.709 -14.422 8.617 1.00 0.00 C ATOM 1025 C GLU A 64 -3.757 -14.684 10.124 1.00 0.00 C ATOM 1026 O GLU A 64 -2.718 -14.832 10.765 1.00 0.00 O ATOM 1027 CB GLU A 64 -2.304 -14.003 8.178 1.00 0.00 C ATOM 1028 CG GLU A 64 -2.135 -14.154 6.665 1.00 0.00 C ATOM 1029 CD GLU A 64 -1.927 -15.621 6.281 1.00 0.00 C ATOM 1030 OE1 GLU A 64 -0.848 -16.150 6.623 1.00 0.00 O ATOM 1031 OE2 GLU A 64 -2.853 -16.180 5.654 1.00 0.00 O ATOM 0 H GLU A 64 -4.326 -12.466 8.188 1.00 0.00 H new ATOM 0 HA GLU A 64 -3.955 -15.349 8.098 1.00 0.00 H new ATOM 0 HB2 GLU A 64 -2.123 -12.968 8.466 1.00 0.00 H new ATOM 0 HB3 GLU A 64 -1.561 -14.612 8.693 1.00 0.00 H new ATOM 0 HG2 GLU A 64 -3.016 -13.762 6.156 1.00 0.00 H new ATOM 0 HG3 GLU A 64 -1.283 -13.562 6.330 1.00 0.00 H new ATOM 1107 N ILE A 69 -5.474 -17.781 5.036 1.00 0.00 N ATOM 1108 CA ILE A 69 -6.011 -17.385 3.746 1.00 0.00 C ATOM 1109 C ILE A 69 -4.884 -16.810 2.885 1.00 0.00 C ATOM 1110 O ILE A 69 -3.890 -16.310 3.410 1.00 0.00 O ATOM 1111 CB ILE A 69 -7.194 -16.431 3.928 1.00 0.00 C ATOM 1112 CG1 ILE A 69 -8.481 -17.205 4.219 1.00 0.00 C ATOM 1113 CG2 ILE A 69 -7.342 -15.505 2.719 1.00 0.00 C ATOM 1114 CD1 ILE A 69 -9.695 -16.273 4.209 1.00 0.00 C ATOM 0 HA ILE A 69 -6.408 -18.251 3.216 1.00 0.00 H new ATOM 0 HB ILE A 69 -6.995 -15.800 4.794 1.00 0.00 H new ATOM 0 HG12 ILE A 69 -8.614 -17.990 3.474 1.00 0.00 H new ATOM 0 HG13 ILE A 69 -8.403 -17.696 5.189 1.00 0.00 H new ATOM 0 HG21 ILE A 69 -8.190 -14.837 2.874 1.00 0.00 H new ATOM 0 HG22 ILE A 69 -6.433 -14.916 2.599 1.00 0.00 H new ATOM 0 HG23 ILE A 69 -7.509 -16.101 1.822 1.00 0.00 H new ATOM 0 HD11 ILE A 69 -10.597 -16.848 4.418 1.00 0.00 H new ATOM 0 HD12 ILE A 69 -9.570 -15.504 4.971 1.00 0.00 H new ATOM 0 HD13 ILE A 69 -9.784 -15.802 3.230 1.00 0.00 H new ATOM 1126 N VAL A 70 -5.078 -16.899 1.577 1.00 0.00 N ATOM 1127 CA VAL A 70 -4.090 -16.394 0.638 1.00 0.00 C ATOM 1128 C VAL A 70 -4.268 -14.882 0.482 1.00 0.00 C ATOM 1129 O VAL A 70 -5.184 -14.429 -0.202 1.00 0.00 O ATOM 1130 CB VAL A 70 -4.196 -17.149 -0.689 1.00 0.00 C ATOM 1131 CG1 VAL A 70 -3.295 -16.516 -1.752 1.00 0.00 C ATOM 1132 CG2 VAL A 70 -3.868 -18.632 -0.504 1.00 0.00 C ATOM 0 H VAL A 70 -5.904 -17.313 1.145 1.00 0.00 H new ATOM 0 HA VAL A 70 -3.082 -16.566 1.014 1.00 0.00 H new ATOM 0 HB VAL A 70 -5.227 -17.075 -1.036 1.00 0.00 H new ATOM 0 HG11 VAL A 70 -3.388 -17.071 -2.686 1.00 0.00 H new ATOM 0 HG12 VAL A 70 -3.595 -15.481 -1.914 1.00 0.00 H new ATOM 0 HG13 VAL A 70 -2.259 -16.545 -1.415 1.00 0.00 H new ATOM 0 HG21 VAL A 70 -3.951 -19.145 -1.462 1.00 0.00 H new ATOM 0 HG22 VAL A 70 -2.852 -18.735 -0.124 1.00 0.00 H new ATOM 0 HG23 VAL A 70 -4.568 -19.074 0.206 1.00 0.00 H new ATOM 1142 N VAL A 71 -3.378 -14.144 1.129 1.00 0.00 N ATOM 1143 CA VAL A 71 -3.424 -12.693 1.071 1.00 0.00 C ATOM 1144 C VAL A 71 -2.253 -12.183 0.229 1.00 0.00 C ATOM 1145 O VAL A 71 -1.135 -12.681 0.349 1.00 0.00 O ATOM 1146 CB VAL A 71 -3.441 -12.113 2.486 1.00 0.00 C ATOM 1147 CG1 VAL A 71 -3.734 -10.612 2.460 1.00 0.00 C ATOM 1148 CG2 VAL A 71 -4.448 -12.853 3.370 1.00 0.00 C ATOM 0 H VAL A 71 -2.620 -14.524 1.696 1.00 0.00 H new ATOM 0 HA VAL A 71 -4.342 -12.359 0.587 1.00 0.00 H new ATOM 0 HB VAL A 71 -2.450 -12.253 2.917 1.00 0.00 H new ATOM 0 HG11 VAL A 71 -3.740 -10.225 3.479 1.00 0.00 H new ATOM 0 HG12 VAL A 71 -2.964 -10.101 1.882 1.00 0.00 H new ATOM 0 HG13 VAL A 71 -4.707 -10.439 2.000 1.00 0.00 H new ATOM 0 HG21 VAL A 71 -4.440 -12.421 4.371 1.00 0.00 H new ATOM 0 HG22 VAL A 71 -5.446 -12.759 2.942 1.00 0.00 H new ATOM 0 HG23 VAL A 71 -4.176 -13.907 3.428 1.00 0.00 H new ATOM 1158 N PRO A 72 -2.557 -11.170 -0.625 1.00 0.00 N ATOM 1159 CA PRO A 72 -1.543 -10.587 -1.487 1.00 0.00 C ATOM 1160 C PRO A 72 -0.604 -9.678 -0.690 1.00 0.00 C ATOM 1161 O PRO A 72 -0.935 -9.254 0.416 1.00 0.00 O ATOM 1162 CB PRO A 72 -2.319 -9.843 -2.561 1.00 0.00 C ATOM 1163 CG PRO A 72 -3.719 -9.647 -2.003 1.00 0.00 C ATOM 1164 CD PRO A 72 -3.871 -10.555 -0.794 1.00 0.00 C ATOM 0 HA PRO A 72 -0.890 -11.336 -1.934 1.00 0.00 H new ATOM 0 HB2 PRO A 72 -1.851 -8.885 -2.788 1.00 0.00 H new ATOM 0 HB3 PRO A 72 -2.345 -10.413 -3.490 1.00 0.00 H new ATOM 0 HG2 PRO A 72 -3.875 -8.606 -1.720 1.00 0.00 H new ATOM 0 HG3 PRO A 72 -4.468 -9.888 -2.758 1.00 0.00 H new ATOM 0 HD2 PRO A 72 -4.161 -9.990 0.092 1.00 0.00 H new ATOM 0 HD3 PRO A 72 -4.642 -11.307 -0.958 1.00 0.00 H new ATOM 1172 N PRO A 73 0.580 -9.400 -1.299 1.00 0.00 N ATOM 1173 CA PRO A 73 1.569 -8.550 -0.659 1.00 0.00 C ATOM 1174 C PRO A 73 1.151 -7.079 -0.721 1.00 0.00 C ATOM 1175 O PRO A 73 0.514 -6.652 -1.683 1.00 0.00 O ATOM 1176 CB PRO A 73 2.867 -8.831 -1.398 1.00 0.00 C ATOM 1177 CG PRO A 73 2.465 -9.472 -2.716 1.00 0.00 C ATOM 1178 CD PRO A 73 1.006 -9.885 -2.608 1.00 0.00 C ATOM 0 HA PRO A 73 1.679 -8.760 0.405 1.00 0.00 H new ATOM 0 HB2 PRO A 73 3.428 -7.912 -1.566 1.00 0.00 H new ATOM 0 HB3 PRO A 73 3.510 -9.495 -0.820 1.00 0.00 H new ATOM 0 HG2 PRO A 73 2.603 -8.771 -3.539 1.00 0.00 H new ATOM 0 HG3 PRO A 73 3.092 -10.338 -2.926 1.00 0.00 H new ATOM 0 HD2 PRO A 73 0.410 -9.445 -3.407 1.00 0.00 H new ATOM 0 HD3 PRO A 73 0.894 -10.966 -2.685 1.00 0.00 H new ATOM 1186 N LEU A 74 1.527 -6.346 0.316 1.00 0.00 N ATOM 1187 CA LEU A 74 1.200 -4.932 0.391 1.00 0.00 C ATOM 1188 C LEU A 74 2.288 -4.122 -0.317 1.00 0.00 C ATOM 1189 O LEU A 74 3.454 -4.516 -0.324 1.00 0.00 O ATOM 1190 CB LEU A 74 0.967 -4.512 1.844 1.00 0.00 C ATOM 1191 CG LEU A 74 -0.421 -4.809 2.414 1.00 0.00 C ATOM 1192 CD1 LEU A 74 -0.399 -4.798 3.944 1.00 0.00 C ATOM 1193 CD2 LEU A 74 -1.464 -3.844 1.848 1.00 0.00 C ATOM 0 H LEU A 74 2.055 -6.704 1.112 1.00 0.00 H new ATOM 0 HA LEU A 74 0.264 -4.730 -0.129 1.00 0.00 H new ATOM 0 HB2 LEU A 74 1.709 -5.010 2.469 1.00 0.00 H new ATOM 0 HB3 LEU A 74 1.150 -3.440 1.925 1.00 0.00 H new ATOM 0 HG LEU A 74 -0.710 -5.813 2.104 1.00 0.00 H new ATOM 0 HD11 LEU A 74 -1.398 -5.012 4.324 1.00 0.00 H new ATOM 0 HD12 LEU A 74 0.296 -5.557 4.303 1.00 0.00 H new ATOM 0 HD13 LEU A 74 -0.079 -3.817 4.296 1.00 0.00 H new ATOM 0 HD21 LEU A 74 -2.442 -4.077 2.269 1.00 0.00 H new ATOM 0 HD22 LEU A 74 -1.192 -2.821 2.107 1.00 0.00 H new ATOM 0 HD23 LEU A 74 -1.503 -3.945 0.763 1.00 0.00 H new ATOM 1205 N PRO A 75 1.858 -2.976 -0.909 1.00 0.00 N ATOM 1206 CA PRO A 75 2.783 -2.108 -1.618 1.00 0.00 C ATOM 1207 C PRO A 75 3.652 -1.316 -0.638 1.00 0.00 C ATOM 1208 O PRO A 75 3.148 -0.475 0.104 1.00 0.00 O ATOM 1209 CB PRO A 75 1.904 -1.220 -2.484 1.00 0.00 C ATOM 1210 CG PRO A 75 0.509 -1.305 -1.886 1.00 0.00 C ATOM 1211 CD PRO A 75 0.486 -2.479 -0.921 1.00 0.00 C ATOM 0 HA PRO A 75 3.494 -2.662 -2.231 1.00 0.00 H new ATOM 0 HB2 PRO A 75 2.267 -0.192 -2.484 1.00 0.00 H new ATOM 0 HB3 PRO A 75 1.906 -1.559 -3.520 1.00 0.00 H new ATOM 0 HG2 PRO A 75 0.259 -0.380 -1.367 1.00 0.00 H new ATOM 0 HG3 PRO A 75 -0.235 -1.441 -2.671 1.00 0.00 H new ATOM 0 HD2 PRO A 75 0.169 -2.167 0.074 1.00 0.00 H new ATOM 0 HD3 PRO A 75 -0.211 -3.249 -1.251 1.00 0.00 H new ATOM 1219 N GLY A 76 4.942 -1.614 -0.668 1.00 0.00 N ATOM 1220 CA GLY A 76 5.886 -0.941 0.208 1.00 0.00 C ATOM 1221 C GLY A 76 6.837 -1.944 0.864 1.00 0.00 C ATOM 1222 O GLY A 76 6.530 -3.132 0.950 1.00 0.00 O ATOM 0 H GLY A 76 5.356 -2.313 -1.285 1.00 0.00 H new ATOM 0 HA2 GLY A 76 6.459 -0.210 -0.362 1.00 0.00 H new ATOM 0 HA3 GLY A 76 5.345 -0.391 0.978 1.00 0.00 H new ATOM 1512 N GLU A 94 4.100 12.938 -7.003 1.00 0.00 N ATOM 1513 CA GLU A 94 2.818 12.424 -7.455 1.00 0.00 C ATOM 1514 C GLU A 94 2.941 10.945 -7.827 1.00 0.00 C ATOM 1515 O GLU A 94 1.987 10.182 -7.676 1.00 0.00 O ATOM 1516 CB GLU A 94 2.283 13.242 -8.632 1.00 0.00 C ATOM 1517 CG GLU A 94 3.357 13.426 -9.705 1.00 0.00 C ATOM 1518 CD GLU A 94 2.728 13.576 -11.092 1.00 0.00 C ATOM 1519 OE1 GLU A 94 1.900 14.500 -11.242 1.00 0.00 O ATOM 1520 OE2 GLU A 94 3.088 12.762 -11.970 1.00 0.00 O ATOM 0 HA GLU A 94 2.103 12.515 -6.637 1.00 0.00 H new ATOM 0 HB2 GLU A 94 1.416 12.742 -9.063 1.00 0.00 H new ATOM 0 HB3 GLU A 94 1.946 14.217 -8.279 1.00 0.00 H new ATOM 0 HG2 GLU A 94 3.957 14.307 -9.477 1.00 0.00 H new ATOM 0 HG3 GLU A 94 4.032 12.570 -9.699 1.00 0.00 H new ATOM 1527 N SER A 95 4.122 10.584 -8.305 1.00 0.00 N ATOM 1528 CA SER A 95 4.382 9.209 -8.699 1.00 0.00 C ATOM 1529 C SER A 95 4.376 8.302 -7.468 1.00 0.00 C ATOM 1530 O SER A 95 4.114 7.105 -7.576 1.00 0.00 O ATOM 1531 CB SER A 95 5.716 9.091 -9.440 1.00 0.00 C ATOM 1532 OG SER A 95 5.631 8.209 -10.555 1.00 0.00 O ATOM 0 H SER A 95 4.910 11.219 -8.429 1.00 0.00 H new ATOM 0 HA SER A 95 3.591 8.893 -9.379 1.00 0.00 H new ATOM 0 HB2 SER A 95 6.030 10.078 -9.781 1.00 0.00 H new ATOM 0 HB3 SER A 95 6.482 8.733 -8.752 1.00 0.00 H new ATOM 0 HG SER A 95 6.502 8.162 -11.002 1.00 0.00 H new ATOM 1538 N PHE A 96 4.669 8.906 -6.326 1.00 0.00 N ATOM 1539 CA PHE A 96 4.701 8.167 -5.075 1.00 0.00 C ATOM 1540 C PHE A 96 3.286 7.822 -4.606 1.00 0.00 C ATOM 1541 O PHE A 96 2.959 6.651 -4.418 1.00 0.00 O ATOM 1542 CB PHE A 96 5.363 9.074 -4.036 1.00 0.00 C ATOM 1543 CG PHE A 96 6.165 8.321 -2.973 1.00 0.00 C ATOM 1544 CD1 PHE A 96 5.728 7.117 -2.518 1.00 0.00 C ATOM 1545 CD2 PHE A 96 7.315 8.857 -2.483 1.00 0.00 C ATOM 1546 CE1 PHE A 96 6.472 6.418 -1.531 1.00 0.00 C ATOM 1547 CE2 PHE A 96 8.059 8.158 -1.496 1.00 0.00 C ATOM 1548 CZ PHE A 96 7.622 6.953 -1.041 1.00 0.00 C ATOM 0 H PHE A 96 4.886 9.899 -6.241 1.00 0.00 H new ATOM 0 HA PHE A 96 5.249 7.234 -5.208 1.00 0.00 H new ATOM 0 HB2 PHE A 96 6.024 9.773 -4.548 1.00 0.00 H new ATOM 0 HB3 PHE A 96 4.593 9.667 -3.543 1.00 0.00 H new ATOM 0 HD1 PHE A 96 4.815 6.692 -2.907 1.00 0.00 H new ATOM 0 HD2 PHE A 96 7.662 9.814 -2.844 1.00 0.00 H new ATOM 0 HE1 PHE A 96 6.124 5.461 -1.170 1.00 0.00 H new ATOM 0 HE2 PHE A 96 8.972 8.583 -1.106 1.00 0.00 H new ATOM 0 HZ PHE A 96 8.188 6.421 -0.291 1.00 0.00 H new ATOM 1558 N ILE A 97 2.485 8.862 -4.430 1.00 0.00 N ATOM 1559 CA ILE A 97 1.113 8.684 -3.986 1.00 0.00 C ATOM 1560 C ILE A 97 0.404 7.699 -4.918 1.00 0.00 C ATOM 1561 O ILE A 97 -0.339 6.832 -4.461 1.00 0.00 O ATOM 1562 CB ILE A 97 0.407 10.036 -3.869 1.00 0.00 C ATOM 1563 CG1 ILE A 97 0.586 10.629 -2.470 1.00 0.00 C ATOM 1564 CG2 ILE A 97 -1.068 9.921 -4.259 1.00 0.00 C ATOM 1565 CD1 ILE A 97 0.400 12.148 -2.490 1.00 0.00 C ATOM 0 H ILE A 97 2.760 9.832 -4.587 1.00 0.00 H new ATOM 0 HA ILE A 97 1.090 8.251 -2.986 1.00 0.00 H new ATOM 0 HB ILE A 97 0.872 10.726 -4.573 1.00 0.00 H new ATOM 0 HG12 ILE A 97 -0.134 10.180 -1.786 1.00 0.00 H new ATOM 0 HG13 ILE A 97 1.579 10.386 -2.092 1.00 0.00 H new ATOM 0 HG21 ILE A 97 -1.546 10.896 -4.167 1.00 0.00 H new ATOM 0 HG22 ILE A 97 -1.146 9.575 -5.290 1.00 0.00 H new ATOM 0 HG23 ILE A 97 -1.565 9.210 -3.599 1.00 0.00 H new ATOM 0 HD11 ILE A 97 0.532 12.544 -1.483 1.00 0.00 H new ATOM 0 HD12 ILE A 97 1.137 12.596 -3.156 1.00 0.00 H new ATOM 0 HD13 ILE A 97 -0.602 12.387 -2.845 1.00 0.00 H new ATOM 1577 N GLU A 98 0.660 7.865 -6.207 1.00 0.00 N ATOM 1578 CA GLU A 98 0.055 7.001 -7.207 1.00 0.00 C ATOM 1579 C GLU A 98 0.461 5.546 -6.966 1.00 0.00 C ATOM 1580 O GLU A 98 -0.396 4.676 -6.815 1.00 0.00 O ATOM 1581 CB GLU A 98 0.435 7.449 -8.620 1.00 0.00 C ATOM 1582 CG GLU A 98 -0.755 7.323 -9.573 1.00 0.00 C ATOM 1583 CD GLU A 98 -0.917 8.588 -10.418 1.00 0.00 C ATOM 1584 OE1 GLU A 98 0.107 9.278 -10.609 1.00 0.00 O ATOM 1585 OE2 GLU A 98 -2.062 8.837 -10.854 1.00 0.00 O ATOM 0 H GLU A 98 1.278 8.585 -6.582 1.00 0.00 H new ATOM 0 HA GLU A 98 -1.029 7.076 -7.116 1.00 0.00 H new ATOM 0 HB2 GLU A 98 0.780 8.483 -8.597 1.00 0.00 H new ATOM 0 HB3 GLU A 98 1.265 6.844 -8.986 1.00 0.00 H new ATOM 0 HG2 GLU A 98 -0.613 6.461 -10.225 1.00 0.00 H new ATOM 0 HG3 GLU A 98 -1.666 7.144 -9.002 1.00 0.00 H new ATOM 1592 N GLU A 99 1.767 5.325 -6.937 1.00 0.00 N ATOM 1593 CA GLU A 99 2.296 3.990 -6.717 1.00 0.00 C ATOM 1594 C GLU A 99 1.475 3.263 -5.650 1.00 0.00 C ATOM 1595 O GLU A 99 0.906 2.205 -5.914 1.00 0.00 O ATOM 1596 CB GLU A 99 3.775 4.044 -6.329 1.00 0.00 C ATOM 1597 CG GLU A 99 4.593 3.043 -7.148 1.00 0.00 C ATOM 1598 CD GLU A 99 5.111 1.906 -6.264 1.00 0.00 C ATOM 1599 OE1 GLU A 99 5.868 2.221 -5.320 1.00 0.00 O ATOM 1600 OE2 GLU A 99 4.739 0.748 -6.552 1.00 0.00 O ATOM 0 H GLU A 99 2.475 6.049 -7.062 1.00 0.00 H new ATOM 0 HA GLU A 99 2.219 3.431 -7.650 1.00 0.00 H new ATOM 0 HB2 GLU A 99 4.160 5.051 -6.489 1.00 0.00 H new ATOM 0 HB3 GLU A 99 3.884 3.826 -5.267 1.00 0.00 H new ATOM 0 HG2 GLU A 99 3.978 2.634 -7.949 1.00 0.00 H new ATOM 0 HG3 GLU A 99 5.433 3.553 -7.620 1.00 0.00 H new ATOM 1607 N ARG A 100 1.440 3.860 -4.468 1.00 0.00 N ATOM 1608 CA ARG A 100 0.698 3.283 -3.360 1.00 0.00 C ATOM 1609 C ARG A 100 -0.774 3.109 -3.740 1.00 0.00 C ATOM 1610 O ARG A 100 -1.332 2.023 -3.593 1.00 0.00 O ATOM 1611 CB ARG A 100 0.795 4.164 -2.113 1.00 0.00 C ATOM 1612 CG ARG A 100 0.124 3.493 -0.913 1.00 0.00 C ATOM 1613 CD ARG A 100 1.098 2.562 -0.189 1.00 0.00 C ATOM 1614 NE ARG A 100 1.697 3.260 0.971 1.00 0.00 N ATOM 1615 CZ ARG A 100 2.888 3.874 0.945 1.00 0.00 C ATOM 1616 NH1 ARG A 100 3.614 3.880 -0.181 1.00 0.00 N ATOM 1617 NH2 ARG A 100 3.352 4.481 2.046 1.00 0.00 N ATOM 0 H ARG A 100 1.914 4.738 -4.253 1.00 0.00 H new ATOM 0 HA ARG A 100 1.137 2.310 -3.138 1.00 0.00 H new ATOM 0 HB2 ARG A 100 1.842 4.363 -1.884 1.00 0.00 H new ATOM 0 HB3 ARG A 100 0.323 5.127 -2.306 1.00 0.00 H new ATOM 0 HG2 ARG A 100 -0.238 4.254 -0.222 1.00 0.00 H new ATOM 0 HG3 ARG A 100 -0.745 2.927 -1.248 1.00 0.00 H new ATOM 0 HD2 ARG A 100 0.576 1.665 0.145 1.00 0.00 H new ATOM 0 HD3 ARG A 100 1.882 2.238 -0.874 1.00 0.00 H new ATOM 0 HE ARG A 100 1.170 3.275 1.844 1.00 0.00 H new ATOM 0 HH11 ARG A 100 3.260 3.417 -1.018 1.00 0.00 H new ATOM 0 HH12 ARG A 100 4.520 4.347 -0.201 1.00 0.00 H new ATOM 0 HH21 ARG A 100 2.799 4.475 2.903 1.00 0.00 H new ATOM 0 HH22 ARG A 100 4.258 4.949 2.027 1.00 0.00 H new ATOM 1631 N ARG A 101 -1.360 4.195 -4.220 1.00 0.00 N ATOM 1632 CA ARG A 101 -2.756 4.177 -4.622 1.00 0.00 C ATOM 1633 C ARG A 101 -3.081 2.872 -5.352 1.00 0.00 C ATOM 1634 O ARG A 101 -3.823 2.037 -4.837 1.00 0.00 O ATOM 1635 CB ARG A 101 -3.082 5.359 -5.537 1.00 0.00 C ATOM 1636 CG ARG A 101 -4.582 5.661 -5.529 1.00 0.00 C ATOM 1637 CD ARG A 101 -4.931 6.732 -6.565 1.00 0.00 C ATOM 1638 NE ARG A 101 -5.216 6.097 -7.872 1.00 0.00 N ATOM 1639 CZ ARG A 101 -5.780 6.732 -8.908 1.00 0.00 C ATOM 1640 NH1 ARG A 101 -6.123 8.023 -8.797 1.00 0.00 N ATOM 1641 NH2 ARG A 101 -6.002 6.077 -10.056 1.00 0.00 N ATOM 0 H ARG A 101 -0.893 5.094 -4.340 1.00 0.00 H new ATOM 0 HA ARG A 101 -3.362 4.254 -3.719 1.00 0.00 H new ATOM 0 HB2 ARG A 101 -2.528 6.239 -5.211 1.00 0.00 H new ATOM 0 HB3 ARG A 101 -2.758 5.137 -6.554 1.00 0.00 H new ATOM 0 HG2 ARG A 101 -5.141 4.750 -5.740 1.00 0.00 H new ATOM 0 HG3 ARG A 101 -4.884 5.997 -4.537 1.00 0.00 H new ATOM 0 HD2 ARG A 101 -5.798 7.303 -6.232 1.00 0.00 H new ATOM 0 HD3 ARG A 101 -4.105 7.436 -6.666 1.00 0.00 H new ATOM 0 HE ARG A 101 -4.967 5.115 -7.991 1.00 0.00 H new ATOM 0 HH11 ARG A 101 -5.955 8.522 -7.924 1.00 0.00 H new ATOM 0 HH12 ARG A 101 -6.552 8.506 -9.586 1.00 0.00 H new ATOM 0 HH21 ARG A 101 -5.742 5.095 -10.141 1.00 0.00 H new ATOM 0 HH22 ARG A 101 -6.431 6.561 -10.844 1.00 0.00 H new ATOM 1655 N GLN A 102 -2.510 2.737 -6.539 1.00 0.00 N ATOM 1656 CA GLN A 102 -2.729 1.548 -7.345 1.00 0.00 C ATOM 1657 C GLN A 102 -2.426 0.290 -6.528 1.00 0.00 C ATOM 1658 O GLN A 102 -3.261 -0.608 -6.431 1.00 0.00 O ATOM 1659 CB GLN A 102 -1.888 1.588 -8.622 1.00 0.00 C ATOM 1660 CG GLN A 102 -2.480 2.567 -9.638 1.00 0.00 C ATOM 1661 CD GLN A 102 -1.753 2.471 -10.981 1.00 0.00 C ATOM 1662 OE1 GLN A 102 -1.901 1.519 -11.729 1.00 0.00 O ATOM 1663 NE2 GLN A 102 -0.962 3.508 -11.243 1.00 0.00 N ATOM 0 H GLN A 102 -1.895 3.432 -6.963 1.00 0.00 H new ATOM 0 HA GLN A 102 -3.778 1.522 -7.641 1.00 0.00 H new ATOM 0 HB2 GLN A 102 -0.867 1.883 -8.380 1.00 0.00 H new ATOM 0 HB3 GLN A 102 -1.837 0.591 -9.059 1.00 0.00 H new ATOM 0 HG2 GLN A 102 -3.540 2.354 -9.778 1.00 0.00 H new ATOM 0 HG3 GLN A 102 -2.407 3.584 -9.253 1.00 0.00 H new ATOM 0 HE21 GLN A 102 -0.884 4.272 -10.572 1.00 0.00 H new ATOM 0 HE22 GLN A 102 -0.433 3.539 -12.115 1.00 0.00 H new ATOM 1672 N GLY A 103 -1.229 0.265 -5.961 1.00 0.00 N ATOM 1673 CA GLY A 103 -0.805 -0.867 -5.156 1.00 0.00 C ATOM 1674 C GLY A 103 -1.967 -1.415 -4.326 1.00 0.00 C ATOM 1675 O GLY A 103 -2.460 -2.512 -4.588 1.00 0.00 O ATOM 0 H GLY A 103 -0.539 1.012 -6.043 1.00 0.00 H new ATOM 0 HA2 GLY A 103 -0.414 -1.652 -5.803 1.00 0.00 H new ATOM 0 HA3 GLY A 103 0.007 -0.564 -4.495 1.00 0.00 H new ATOM 1679 N LEU A 104 -2.372 -0.626 -3.341 1.00 0.00 N ATOM 1680 CA LEU A 104 -3.468 -1.019 -2.471 1.00 0.00 C ATOM 1681 C LEU A 104 -4.634 -1.523 -3.322 1.00 0.00 C ATOM 1682 O LEU A 104 -5.059 -2.669 -3.183 1.00 0.00 O ATOM 1683 CB LEU A 104 -3.843 0.129 -1.531 1.00 0.00 C ATOM 1684 CG LEU A 104 -2.836 0.447 -0.424 1.00 0.00 C ATOM 1685 CD1 LEU A 104 -3.220 1.730 0.315 1.00 0.00 C ATOM 1686 CD2 LEU A 104 -2.678 -0.739 0.530 1.00 0.00 C ATOM 0 H LEU A 104 -1.961 0.283 -3.126 1.00 0.00 H new ATOM 0 HA LEU A 104 -3.165 -1.843 -1.825 1.00 0.00 H new ATOM 0 HB2 LEU A 104 -3.991 1.028 -2.129 1.00 0.00 H new ATOM 0 HB3 LEU A 104 -4.801 -0.106 -1.067 1.00 0.00 H new ATOM 0 HG LEU A 104 -1.864 0.621 -0.886 1.00 0.00 H new ATOM 0 HD11 LEU A 104 -2.488 1.933 1.097 1.00 0.00 H new ATOM 0 HD12 LEU A 104 -3.240 2.563 -0.388 1.00 0.00 H new ATOM 0 HD13 LEU A 104 -4.206 1.610 0.764 1.00 0.00 H new ATOM 0 HD21 LEU A 104 -1.957 -0.487 1.307 1.00 0.00 H new ATOM 0 HD22 LEU A 104 -3.640 -0.968 0.988 1.00 0.00 H new ATOM 0 HD23 LEU A 104 -2.324 -1.608 -0.025 1.00 0.00 H new ATOM 1698 N GLU A 105 -5.120 -0.643 -4.185 1.00 0.00 N ATOM 1699 CA GLU A 105 -6.229 -0.985 -5.058 1.00 0.00 C ATOM 1700 C GLU A 105 -6.049 -2.397 -5.618 1.00 0.00 C ATOM 1701 O GLU A 105 -6.958 -3.221 -5.538 1.00 0.00 O ATOM 1702 CB GLU A 105 -6.373 0.038 -6.187 1.00 0.00 C ATOM 1703 CG GLU A 105 -7.835 0.179 -6.616 1.00 0.00 C ATOM 1704 CD GLU A 105 -7.941 0.812 -8.005 1.00 0.00 C ATOM 1705 OE1 GLU A 105 -7.300 1.867 -8.198 1.00 0.00 O ATOM 1706 OE2 GLU A 105 -8.660 0.226 -8.842 1.00 0.00 O ATOM 0 H GLU A 105 -4.766 0.307 -4.298 1.00 0.00 H new ATOM 0 HA GLU A 105 -7.147 -0.963 -4.471 1.00 0.00 H new ATOM 0 HB2 GLU A 105 -5.992 1.005 -5.857 1.00 0.00 H new ATOM 0 HB3 GLU A 105 -5.768 -0.269 -7.040 1.00 0.00 H new ATOM 0 HG2 GLU A 105 -8.312 -0.801 -6.622 1.00 0.00 H new ATOM 0 HG3 GLU A 105 -8.373 0.791 -5.892 1.00 0.00 H new ATOM 1713 N GLN A 106 -4.869 -2.633 -6.172 1.00 0.00 N ATOM 1714 CA GLN A 106 -4.557 -3.932 -6.745 1.00 0.00 C ATOM 1715 C GLN A 106 -4.713 -5.029 -5.689 1.00 0.00 C ATOM 1716 O GLN A 106 -5.429 -6.005 -5.905 1.00 0.00 O ATOM 1717 CB GLN A 106 -3.150 -3.944 -7.344 1.00 0.00 C ATOM 1718 CG GLN A 106 -3.204 -4.001 -8.872 1.00 0.00 C ATOM 1719 CD GLN A 106 -2.895 -5.410 -9.379 1.00 0.00 C ATOM 1720 OE1 GLN A 106 -1.833 -5.963 -9.144 1.00 0.00 O ATOM 1721 NE2 GLN A 106 -3.878 -5.959 -10.087 1.00 0.00 N ATOM 0 H GLN A 106 -4.117 -1.947 -6.236 1.00 0.00 H new ATOM 0 HA GLN A 106 -5.261 -4.129 -7.553 1.00 0.00 H new ATOM 0 HB2 GLN A 106 -2.609 -3.052 -7.029 1.00 0.00 H new ATOM 0 HB3 GLN A 106 -2.597 -4.803 -6.964 1.00 0.00 H new ATOM 0 HG2 GLN A 106 -4.192 -3.695 -9.216 1.00 0.00 H new ATOM 0 HG3 GLN A 106 -2.488 -3.295 -9.291 1.00 0.00 H new ATOM 0 HE21 GLN A 106 -4.742 -5.441 -10.247 1.00 0.00 H new ATOM 0 HE22 GLN A 106 -3.768 -6.898 -10.470 1.00 0.00 H new ATOM 1730 N PHE A 107 -4.031 -4.830 -4.571 1.00 0.00 N ATOM 1731 CA PHE A 107 -4.085 -5.790 -3.481 1.00 0.00 C ATOM 1732 C PHE A 107 -5.533 -6.117 -3.109 1.00 0.00 C ATOM 1733 O PHE A 107 -5.949 -7.272 -3.178 1.00 0.00 O ATOM 1734 CB PHE A 107 -3.396 -5.141 -2.279 1.00 0.00 C ATOM 1735 CG PHE A 107 -3.753 -5.782 -0.936 1.00 0.00 C ATOM 1736 CD1 PHE A 107 -4.837 -5.345 -0.241 1.00 0.00 C ATOM 1737 CD2 PHE A 107 -2.987 -6.789 -0.438 1.00 0.00 C ATOM 1738 CE1 PHE A 107 -5.169 -5.940 1.005 1.00 0.00 C ATOM 1739 CE2 PHE A 107 -3.318 -7.384 0.808 1.00 0.00 C ATOM 1740 CZ PHE A 107 -4.402 -6.947 1.503 1.00 0.00 C ATOM 0 H PHE A 107 -3.438 -4.019 -4.396 1.00 0.00 H new ATOM 0 HA PHE A 107 -3.596 -6.718 -3.778 1.00 0.00 H new ATOM 0 HB2 PHE A 107 -2.316 -5.194 -2.420 1.00 0.00 H new ATOM 0 HB3 PHE A 107 -3.662 -4.084 -2.248 1.00 0.00 H new ATOM 0 HD1 PHE A 107 -5.446 -4.545 -0.637 1.00 0.00 H new ATOM 0 HD2 PHE A 107 -2.126 -7.136 -0.990 1.00 0.00 H new ATOM 0 HE1 PHE A 107 -6.030 -5.593 1.557 1.00 0.00 H new ATOM 0 HE2 PHE A 107 -2.709 -8.183 1.204 1.00 0.00 H new ATOM 0 HZ PHE A 107 -4.654 -7.400 2.451 1.00 0.00 H new ATOM 1750 N ILE A 108 -6.259 -5.079 -2.723 1.00 0.00 N ATOM 1751 CA ILE A 108 -7.652 -5.241 -2.340 1.00 0.00 C ATOM 1752 C ILE A 108 -8.433 -5.836 -3.513 1.00 0.00 C ATOM 1753 O ILE A 108 -9.292 -6.694 -3.319 1.00 0.00 O ATOM 1754 CB ILE A 108 -8.224 -3.918 -1.828 1.00 0.00 C ATOM 1755 CG1 ILE A 108 -9.509 -4.148 -1.030 1.00 0.00 C ATOM 1756 CG2 ILE A 108 -8.433 -2.930 -2.978 1.00 0.00 C ATOM 1757 CD1 ILE A 108 -9.194 -4.608 0.395 1.00 0.00 C ATOM 0 H ILE A 108 -5.910 -4.122 -2.667 1.00 0.00 H new ATOM 0 HA ILE A 108 -7.740 -5.942 -1.510 1.00 0.00 H new ATOM 0 HB ILE A 108 -7.498 -3.473 -1.148 1.00 0.00 H new ATOM 0 HG12 ILE A 108 -10.092 -3.227 -0.998 1.00 0.00 H new ATOM 0 HG13 ILE A 108 -10.123 -4.897 -1.530 1.00 0.00 H new ATOM 0 HG21 ILE A 108 -8.840 -1.998 -2.587 1.00 0.00 H new ATOM 0 HG22 ILE A 108 -7.479 -2.733 -3.466 1.00 0.00 H new ATOM 0 HG23 ILE A 108 -9.129 -3.355 -3.701 1.00 0.00 H new ATOM 0 HD11 ILE A 108 -10.124 -4.764 0.941 1.00 0.00 H new ATOM 0 HD12 ILE A 108 -8.632 -5.542 0.360 1.00 0.00 H new ATOM 0 HD13 ILE A 108 -8.600 -3.846 0.900 1.00 0.00 H new ATOM 1769 N ASN A 109 -8.106 -5.357 -4.704 1.00 0.00 N ATOM 1770 CA ASN A 109 -8.766 -5.831 -5.909 1.00 0.00 C ATOM 1771 C ASN A 109 -8.711 -7.360 -5.947 1.00 0.00 C ATOM 1772 O ASN A 109 -9.723 -8.015 -6.190 1.00 0.00 O ATOM 1773 CB ASN A 109 -8.070 -5.301 -7.163 1.00 0.00 C ATOM 1774 CG ASN A 109 -8.876 -4.168 -7.801 1.00 0.00 C ATOM 1775 OD1 ASN A 109 -9.365 -4.269 -8.914 1.00 0.00 O ATOM 1776 ND2 ASN A 109 -8.988 -3.087 -7.035 1.00 0.00 N ATOM 0 H ASN A 109 -7.392 -4.645 -4.861 1.00 0.00 H new ATOM 0 HA ASN A 109 -9.796 -5.475 -5.892 1.00 0.00 H new ATOM 0 HB2 ASN A 109 -7.073 -4.943 -6.906 1.00 0.00 H new ATOM 0 HB3 ASN A 109 -7.942 -6.110 -7.882 1.00 0.00 H new ATOM 0 HD21 ASN A 109 -9.508 -2.276 -7.370 1.00 0.00 H new ATOM 0 HD22 ASN A 109 -8.554 -3.069 -6.112 1.00 0.00 H new ATOM 1783 N LYS A 110 -7.518 -7.883 -5.704 1.00 0.00 N ATOM 1784 CA LYS A 110 -7.318 -9.322 -5.708 1.00 0.00 C ATOM 1785 C LYS A 110 -7.876 -9.914 -4.412 1.00 0.00 C ATOM 1786 O LYS A 110 -8.464 -10.995 -4.422 1.00 0.00 O ATOM 1787 CB LYS A 110 -5.845 -9.657 -5.952 1.00 0.00 C ATOM 1788 CG LYS A 110 -5.652 -10.315 -7.320 1.00 0.00 C ATOM 1789 CD LYS A 110 -5.391 -11.816 -7.175 1.00 0.00 C ATOM 1790 CE LYS A 110 -5.199 -12.474 -8.542 1.00 0.00 C ATOM 1791 NZ LYS A 110 -3.771 -12.786 -8.772 1.00 0.00 N ATOM 0 H LYS A 110 -6.681 -7.336 -5.503 1.00 0.00 H new ATOM 0 HA LYS A 110 -7.867 -9.780 -6.531 1.00 0.00 H new ATOM 0 HB2 LYS A 110 -5.247 -8.747 -5.894 1.00 0.00 H new ATOM 0 HB3 LYS A 110 -5.486 -10.325 -5.169 1.00 0.00 H new ATOM 0 HG2 LYS A 110 -6.539 -10.154 -7.933 1.00 0.00 H new ATOM 0 HG3 LYS A 110 -4.816 -9.845 -7.839 1.00 0.00 H new ATOM 0 HD2 LYS A 110 -4.504 -11.977 -6.562 1.00 0.00 H new ATOM 0 HD3 LYS A 110 -6.227 -12.285 -6.656 1.00 0.00 H new ATOM 0 HE2 LYS A 110 -5.790 -13.388 -8.598 1.00 0.00 H new ATOM 0 HE3 LYS A 110 -5.563 -11.810 -9.326 1.00 0.00 H new ATOM 0 HZ1 LYS A 110 -3.659 -13.232 -9.705 1.00 0.00 H new ATOM 0 HZ2 LYS A 110 -3.214 -11.908 -8.739 1.00 0.00 H new ATOM 0 HZ3 LYS A 110 -3.435 -13.437 -8.034 1.00 0.00 H new ATOM 1805 N ILE A 111 -7.673 -9.180 -3.328 1.00 0.00 N ATOM 1806 CA ILE A 111 -8.150 -9.619 -2.027 1.00 0.00 C ATOM 1807 C ILE A 111 -9.663 -9.836 -2.090 1.00 0.00 C ATOM 1808 O ILE A 111 -10.158 -10.895 -1.707 1.00 0.00 O ATOM 1809 CB ILE A 111 -7.714 -8.637 -0.938 1.00 0.00 C ATOM 1810 CG1 ILE A 111 -6.879 -9.342 0.134 1.00 0.00 C ATOM 1811 CG2 ILE A 111 -8.920 -7.911 -0.340 1.00 0.00 C ATOM 1812 CD1 ILE A 111 -7.750 -9.759 1.320 1.00 0.00 C ATOM 0 H ILE A 111 -7.185 -8.284 -3.324 1.00 0.00 H new ATOM 0 HA ILE A 111 -7.702 -10.576 -1.759 1.00 0.00 H new ATOM 0 HB ILE A 111 -7.077 -7.880 -1.396 1.00 0.00 H new ATOM 0 HG12 ILE A 111 -6.397 -10.221 -0.295 1.00 0.00 H new ATOM 0 HG13 ILE A 111 -6.085 -8.678 0.477 1.00 0.00 H new ATOM 0 HG21 ILE A 111 -8.582 -7.219 0.432 1.00 0.00 H new ATOM 0 HG22 ILE A 111 -9.436 -7.357 -1.124 1.00 0.00 H new ATOM 0 HG23 ILE A 111 -9.602 -8.639 0.099 1.00 0.00 H new ATOM 0 HD11 ILE A 111 -7.133 -10.258 2.067 1.00 0.00 H new ATOM 0 HD12 ILE A 111 -8.211 -8.875 1.761 1.00 0.00 H new ATOM 0 HD13 ILE A 111 -8.528 -10.442 0.978 1.00 0.00 H new ATOM 1824 N ALA A 112 -10.355 -8.816 -2.575 1.00 0.00 N ATOM 1825 CA ALA A 112 -11.802 -8.883 -2.692 1.00 0.00 C ATOM 1826 C ALA A 112 -12.189 -10.138 -3.477 1.00 0.00 C ATOM 1827 O ALA A 112 -12.907 -10.997 -2.966 1.00 0.00 O ATOM 1828 CB ALA A 112 -12.320 -7.602 -3.350 1.00 0.00 C ATOM 0 H ALA A 112 -9.941 -7.939 -2.891 1.00 0.00 H new ATOM 0 HA ALA A 112 -12.264 -8.955 -1.707 1.00 0.00 H new ATOM 0 HB1 ALA A 112 -13.405 -7.651 -3.438 1.00 0.00 H new ATOM 0 HB2 ALA A 112 -12.044 -6.742 -2.739 1.00 0.00 H new ATOM 0 HB3 ALA A 112 -11.880 -7.499 -4.342 1.00 0.00 H new ATOM 1834 N GLY A 113 -11.696 -10.205 -4.705 1.00 0.00 N ATOM 1835 CA GLY A 113 -11.981 -11.341 -5.565 1.00 0.00 C ATOM 1836 C GLY A 113 -11.949 -12.650 -4.773 1.00 0.00 C ATOM 1837 O GLY A 113 -12.747 -13.552 -5.024 1.00 0.00 O ATOM 0 H GLY A 113 -11.101 -9.491 -5.125 1.00 0.00 H new ATOM 0 HA2 GLY A 113 -12.960 -11.215 -6.027 1.00 0.00 H new ATOM 0 HA3 GLY A 113 -11.250 -11.383 -6.373 1.00 0.00 H new ATOM 1841 N HIS A 114 -11.019 -12.712 -3.831 1.00 0.00 N ATOM 1842 CA HIS A 114 -10.873 -13.896 -3.001 1.00 0.00 C ATOM 1843 C HIS A 114 -12.225 -14.260 -2.385 1.00 0.00 C ATOM 1844 O HIS A 114 -12.917 -13.399 -1.844 1.00 0.00 O ATOM 1845 CB HIS A 114 -9.779 -13.691 -1.951 1.00 0.00 C ATOM 1846 CG HIS A 114 -9.008 -14.945 -1.615 1.00 0.00 C ATOM 1847 ND1 HIS A 114 -9.440 -15.859 -0.670 1.00 0.00 N ATOM 1848 CD2 HIS A 114 -7.831 -15.427 -2.107 1.00 0.00 C ATOM 1849 CE1 HIS A 114 -8.555 -16.843 -0.604 1.00 0.00 C ATOM 1850 NE2 HIS A 114 -7.558 -16.573 -1.495 1.00 0.00 N ATOM 0 H HIS A 114 -10.359 -11.962 -3.624 1.00 0.00 H new ATOM 0 HA HIS A 114 -10.554 -14.738 -3.615 1.00 0.00 H new ATOM 0 HB2 HIS A 114 -9.082 -12.934 -2.310 1.00 0.00 H new ATOM 0 HB3 HIS A 114 -10.233 -13.300 -1.040 1.00 0.00 H new ATOM 0 HD1 HIS A 114 -10.295 -15.787 -0.118 1.00 0.00 H new ATOM 0 HD2 HIS A 114 -7.224 -14.956 -2.866 1.00 0.00 H new ATOM 0 HE1 HIS A 114 -8.613 -17.707 0.042 1.00 0.00 H new ATOM 1858 N PRO A 115 -12.569 -15.572 -2.490 1.00 0.00 N ATOM 1859 CA PRO A 115 -13.826 -16.061 -1.949 1.00 0.00 C ATOM 1860 C PRO A 115 -13.764 -16.164 -0.424 1.00 0.00 C ATOM 1861 O PRO A 115 -14.660 -15.688 0.271 1.00 0.00 O ATOM 1862 CB PRO A 115 -14.049 -17.404 -2.626 1.00 0.00 C ATOM 1863 CG PRO A 115 -12.693 -17.830 -3.164 1.00 0.00 C ATOM 1864 CD PRO A 115 -11.774 -16.620 -3.123 1.00 0.00 C ATOM 0 HA PRO A 115 -14.659 -15.387 -2.146 1.00 0.00 H new ATOM 0 HB2 PRO A 115 -14.437 -18.138 -1.920 1.00 0.00 H new ATOM 0 HB3 PRO A 115 -14.779 -17.319 -3.431 1.00 0.00 H new ATOM 0 HG2 PRO A 115 -12.282 -18.642 -2.564 1.00 0.00 H new ATOM 0 HG3 PRO A 115 -12.787 -18.203 -4.184 1.00 0.00 H new ATOM 0 HD2 PRO A 115 -10.869 -16.829 -2.553 1.00 0.00 H new ATOM 0 HD3 PRO A 115 -11.459 -16.328 -4.125 1.00 0.00 H new ATOM 1872 N LEU A 116 -12.697 -16.788 0.052 1.00 0.00 N ATOM 1873 CA LEU A 116 -12.506 -16.959 1.483 1.00 0.00 C ATOM 1874 C LEU A 116 -12.636 -15.602 2.176 1.00 0.00 C ATOM 1875 O LEU A 116 -13.187 -15.512 3.273 1.00 0.00 O ATOM 1876 CB LEU A 116 -11.180 -17.669 1.765 1.00 0.00 C ATOM 1877 CG LEU A 116 -10.915 -18.941 0.957 1.00 0.00 C ATOM 1878 CD1 LEU A 116 -9.865 -19.817 1.642 1.00 0.00 C ATOM 1879 CD2 LEU A 116 -12.214 -19.704 0.693 1.00 0.00 C ATOM 0 H LEU A 116 -11.955 -17.182 -0.527 1.00 0.00 H new ATOM 0 HA LEU A 116 -13.281 -17.604 1.897 1.00 0.00 H new ATOM 0 HB2 LEU A 116 -10.368 -16.967 1.577 1.00 0.00 H new ATOM 0 HB3 LEU A 116 -11.144 -17.921 2.825 1.00 0.00 H new ATOM 0 HG LEU A 116 -10.510 -18.651 -0.012 1.00 0.00 H new ATOM 0 HD11 LEU A 116 -9.696 -20.714 1.047 1.00 0.00 H new ATOM 0 HD12 LEU A 116 -8.932 -19.261 1.735 1.00 0.00 H new ATOM 0 HD13 LEU A 116 -10.218 -20.100 2.633 1.00 0.00 H new ATOM 0 HD21 LEU A 116 -11.997 -20.604 0.117 1.00 0.00 H new ATOM 0 HD22 LEU A 116 -12.672 -19.982 1.642 1.00 0.00 H new ATOM 0 HD23 LEU A 116 -12.900 -19.070 0.131 1.00 0.00 H new ATOM 1891 N ALA A 117 -12.121 -14.580 1.509 1.00 0.00 N ATOM 1892 CA ALA A 117 -12.173 -13.232 2.047 1.00 0.00 C ATOM 1893 C ALA A 117 -13.614 -12.719 1.989 1.00 0.00 C ATOM 1894 O ALA A 117 -14.136 -12.210 2.980 1.00 0.00 O ATOM 1895 CB ALA A 117 -11.204 -12.335 1.274 1.00 0.00 C ATOM 0 H ALA A 117 -11.665 -14.659 0.600 1.00 0.00 H new ATOM 0 HA ALA A 117 -11.862 -13.224 3.092 1.00 0.00 H new ATOM 0 HB1 ALA A 117 -11.243 -11.323 1.678 1.00 0.00 H new ATOM 0 HB2 ALA A 117 -10.191 -12.725 1.371 1.00 0.00 H new ATOM 0 HB3 ALA A 117 -11.486 -12.316 0.221 1.00 0.00 H new ATOM 1901 N GLN A 118 -14.215 -12.872 0.819 1.00 0.00 N ATOM 1902 CA GLN A 118 -15.585 -12.431 0.619 1.00 0.00 C ATOM 1903 C GLN A 118 -16.474 -12.923 1.763 1.00 0.00 C ATOM 1904 O GLN A 118 -17.510 -12.325 2.050 1.00 0.00 O ATOM 1905 CB GLN A 118 -16.122 -12.904 -0.734 1.00 0.00 C ATOM 1906 CG GLN A 118 -15.657 -11.979 -1.861 1.00 0.00 C ATOM 1907 CD GLN A 118 -16.090 -12.519 -3.226 1.00 0.00 C ATOM 1908 OE1 GLN A 118 -17.041 -13.273 -3.351 1.00 0.00 O ATOM 1909 NE2 GLN A 118 -15.341 -12.091 -4.239 1.00 0.00 N ATOM 0 H GLN A 118 -13.779 -13.295 -0.000 1.00 0.00 H new ATOM 0 HA GLN A 118 -15.598 -11.341 0.617 1.00 0.00 H new ATOM 0 HB2 GLN A 118 -15.782 -13.921 -0.929 1.00 0.00 H new ATOM 0 HB3 GLN A 118 -17.211 -12.932 -0.708 1.00 0.00 H new ATOM 0 HG2 GLN A 118 -16.071 -10.982 -1.712 1.00 0.00 H new ATOM 0 HG3 GLN A 118 -14.572 -11.881 -1.832 1.00 0.00 H new ATOM 0 HE21 GLN A 118 -14.559 -11.460 -4.064 1.00 0.00 H new ATOM 0 HE22 GLN A 118 -15.549 -12.394 -5.191 1.00 0.00 H new ATOM 1918 N ASN A 119 -16.036 -14.008 2.385 1.00 0.00 N ATOM 1919 CA ASN A 119 -16.779 -14.587 3.491 1.00 0.00 C ATOM 1920 C ASN A 119 -16.299 -13.964 4.804 1.00 0.00 C ATOM 1921 O ASN A 119 -17.089 -13.765 5.725 1.00 0.00 O ATOM 1922 CB ASN A 119 -16.554 -16.098 3.575 1.00 0.00 C ATOM 1923 CG ASN A 119 -17.757 -16.864 3.019 1.00 0.00 C ATOM 1924 OD1 ASN A 119 -18.847 -16.336 2.872 1.00 0.00 O ATOM 1925 ND2 ASN A 119 -17.498 -18.133 2.719 1.00 0.00 N ATOM 0 H ASN A 119 -15.176 -14.501 2.144 1.00 0.00 H new ATOM 0 HA ASN A 119 -17.838 -14.389 3.326 1.00 0.00 H new ATOM 0 HB2 ASN A 119 -15.657 -16.367 3.017 1.00 0.00 H new ATOM 0 HB3 ASN A 119 -16.382 -16.387 4.612 1.00 0.00 H new ATOM 0 HD21 ASN A 119 -18.235 -18.728 2.341 1.00 0.00 H new ATOM 0 HD22 ASN A 119 -16.562 -18.511 2.867 1.00 0.00 H new ATOM 1932 N GLU A 120 -15.007 -13.674 4.846 1.00 0.00 N ATOM 1933 CA GLU A 120 -14.413 -13.078 6.030 1.00 0.00 C ATOM 1934 C GLU A 120 -15.170 -11.809 6.423 1.00 0.00 C ATOM 1935 O GLU A 120 -15.573 -11.029 5.560 1.00 0.00 O ATOM 1936 CB GLU A 120 -12.927 -12.784 5.810 1.00 0.00 C ATOM 1937 CG GLU A 120 -12.083 -14.045 6.008 1.00 0.00 C ATOM 1938 CD GLU A 120 -12.303 -14.639 7.401 1.00 0.00 C ATOM 1939 OE1 GLU A 120 -12.268 -13.847 8.367 1.00 0.00 O ATOM 1940 OE2 GLU A 120 -12.502 -15.871 7.468 1.00 0.00 O ATOM 0 H GLU A 120 -14.355 -13.841 4.079 1.00 0.00 H new ATOM 0 HA GLU A 120 -14.491 -13.792 6.850 1.00 0.00 H new ATOM 0 HB2 GLU A 120 -12.775 -12.395 4.803 1.00 0.00 H new ATOM 0 HB3 GLU A 120 -12.599 -12.010 6.504 1.00 0.00 H new ATOM 0 HG2 GLU A 120 -12.342 -14.783 5.249 1.00 0.00 H new ATOM 0 HG3 GLU A 120 -11.028 -13.806 5.873 1.00 0.00 H new ATOM 1947 N ARG A 121 -15.343 -11.639 7.726 1.00 0.00 N ATOM 1948 CA ARG A 121 -16.045 -10.478 8.243 1.00 0.00 C ATOM 1949 C ARG A 121 -15.083 -9.297 8.388 1.00 0.00 C ATOM 1950 O ARG A 121 -15.442 -8.159 8.088 1.00 0.00 O ATOM 1951 CB ARG A 121 -16.681 -10.778 9.602 1.00 0.00 C ATOM 1952 CG ARG A 121 -18.094 -11.340 9.434 1.00 0.00 C ATOM 1953 CD ARG A 121 -18.054 -12.786 8.935 1.00 0.00 C ATOM 1954 NE ARG A 121 -19.204 -13.542 9.480 1.00 0.00 N ATOM 1955 CZ ARG A 121 -19.263 -14.879 9.543 1.00 0.00 C ATOM 1956 NH1 ARG A 121 -18.237 -15.616 9.096 1.00 0.00 N ATOM 1957 NH2 ARG A 121 -20.347 -15.479 10.053 1.00 0.00 N ATOM 0 H ARG A 121 -15.008 -12.287 8.439 1.00 0.00 H new ATOM 0 HA ARG A 121 -16.833 -10.225 7.534 1.00 0.00 H new ATOM 0 HB2 ARG A 121 -16.064 -11.493 10.146 1.00 0.00 H new ATOM 0 HB3 ARG A 121 -16.717 -9.867 10.200 1.00 0.00 H new ATOM 0 HG2 ARG A 121 -18.623 -11.295 10.386 1.00 0.00 H new ATOM 0 HG3 ARG A 121 -18.653 -10.724 8.730 1.00 0.00 H new ATOM 0 HD2 ARG A 121 -18.080 -12.804 7.845 1.00 0.00 H new ATOM 0 HD3 ARG A 121 -17.120 -13.259 9.240 1.00 0.00 H new ATOM 0 HE ARG A 121 -20.002 -13.012 9.830 1.00 0.00 H new ATOM 0 HH11 ARG A 121 -17.412 -15.159 8.708 1.00 0.00 H new ATOM 0 HH12 ARG A 121 -18.281 -16.634 9.144 1.00 0.00 H new ATOM 0 HH21 ARG A 121 -21.128 -14.918 10.393 1.00 0.00 H new ATOM 0 HH22 ARG A 121 -20.391 -16.497 10.101 1.00 0.00 H new ATOM 1971 N CYS A 122 -13.880 -9.608 8.848 1.00 0.00 N ATOM 1972 CA CYS A 122 -12.864 -8.586 9.037 1.00 0.00 C ATOM 1973 C CYS A 122 -12.805 -7.728 7.772 1.00 0.00 C ATOM 1974 O CYS A 122 -12.777 -6.501 7.851 1.00 0.00 O ATOM 1975 CB CYS A 122 -11.503 -9.198 9.375 1.00 0.00 C ATOM 1976 SG CYS A 122 -11.094 -10.517 8.174 1.00 0.00 S ATOM 0 H CYS A 122 -13.586 -10.553 9.095 1.00 0.00 H new ATOM 0 HA CYS A 122 -13.129 -7.959 9.888 1.00 0.00 H new ATOM 0 HB2 CYS A 122 -10.733 -8.426 9.356 1.00 0.00 H new ATOM 0 HB3 CYS A 122 -11.520 -9.607 10.385 1.00 0.00 H new ATOM 0 HG CYS A 122 -11.697 -11.617 8.516 1.00 0.00 H new ATOM 1982 N LEU A 123 -12.789 -8.407 6.634 1.00 0.00 N ATOM 1983 CA LEU A 123 -12.734 -7.722 5.354 1.00 0.00 C ATOM 1984 C LEU A 123 -13.956 -6.813 5.214 1.00 0.00 C ATOM 1985 O LEU A 123 -13.817 -5.606 5.017 1.00 0.00 O ATOM 1986 CB LEU A 123 -12.584 -8.731 4.213 1.00 0.00 C ATOM 1987 CG LEU A 123 -12.781 -8.178 2.800 1.00 0.00 C ATOM 1988 CD1 LEU A 123 -11.474 -7.604 2.249 1.00 0.00 C ATOM 1989 CD2 LEU A 123 -13.375 -9.241 1.873 1.00 0.00 C ATOM 0 H LEU A 123 -12.813 -9.425 6.572 1.00 0.00 H new ATOM 0 HA LEU A 123 -11.853 -7.082 5.302 1.00 0.00 H new ATOM 0 HB2 LEU A 123 -11.590 -9.173 4.274 1.00 0.00 H new ATOM 0 HB3 LEU A 123 -13.301 -9.537 4.370 1.00 0.00 H new ATOM 0 HG LEU A 123 -13.497 -7.358 2.851 1.00 0.00 H new ATOM 0 HD11 LEU A 123 -11.642 -7.218 1.244 1.00 0.00 H new ATOM 0 HD12 LEU A 123 -11.130 -6.797 2.895 1.00 0.00 H new ATOM 0 HD13 LEU A 123 -10.718 -8.388 2.215 1.00 0.00 H new ATOM 0 HD21 LEU A 123 -13.505 -8.822 0.875 1.00 0.00 H new ATOM 0 HD22 LEU A 123 -12.702 -10.097 1.822 1.00 0.00 H new ATOM 0 HD23 LEU A 123 -14.342 -9.562 2.260 1.00 0.00 H new ATOM 2001 N HIS A 124 -15.126 -7.425 5.322 1.00 0.00 N ATOM 2002 CA HIS A 124 -16.371 -6.686 5.210 1.00 0.00 C ATOM 2003 C HIS A 124 -16.252 -5.362 5.968 1.00 0.00 C ATOM 2004 O HIS A 124 -16.715 -4.326 5.493 1.00 0.00 O ATOM 2005 CB HIS A 124 -17.552 -7.535 5.684 1.00 0.00 C ATOM 2006 CG HIS A 124 -18.204 -8.345 4.589 1.00 0.00 C ATOM 2007 ND1 HIS A 124 -18.225 -9.691 4.368 1.00 0.00 N flip ATOM 2008 CD2 HIS A 124 -18.937 -7.770 3.566 1.00 0.00 C flip ATOM 2009 CE1 HIS A 124 -18.934 -9.925 3.270 1.00 0.00 C flip ATOM 2010 NE2 HIS A 124 -19.376 -8.735 2.771 1.00 0.00 N flip ATOM 0 H HIS A 124 -15.238 -8.426 5.486 1.00 0.00 H new ATOM 0 HA HIS A 124 -16.564 -6.450 4.164 1.00 0.00 H new ATOM 0 HB2 HIS A 124 -17.209 -8.211 6.467 1.00 0.00 H new ATOM 0 HB3 HIS A 124 -18.300 -6.881 6.133 1.00 0.00 H new ATOM 0 HD2 HIS A 124 -19.120 -6.713 3.437 1.00 0.00 H new ATOM 0 HE1 HIS A 124 -19.129 -10.897 2.842 1.00 0.00 H new ATOM 0 HE2 HIS A 124 -19.944 -8.610 1.933 1.00 0.00 H new ATOM 2018 N MET A 125 -15.627 -5.439 7.134 1.00 0.00 N ATOM 2019 CA MET A 125 -15.441 -4.259 7.962 1.00 0.00 C ATOM 2020 C MET A 125 -14.603 -3.206 7.235 1.00 0.00 C ATOM 2021 O MET A 125 -15.055 -2.079 7.033 1.00 0.00 O ATOM 2022 CB MET A 125 -14.744 -4.655 9.265 1.00 0.00 C ATOM 2023 CG MET A 125 -15.361 -3.927 10.461 1.00 0.00 C ATOM 2024 SD MET A 125 -14.073 -3.267 11.505 1.00 0.00 S ATOM 2025 CE MET A 125 -13.628 -4.737 12.415 1.00 0.00 C ATOM 0 H MET A 125 -15.243 -6.299 7.525 1.00 0.00 H new ATOM 0 HA MET A 125 -16.420 -3.831 8.178 1.00 0.00 H new ATOM 0 HB2 MET A 125 -14.823 -5.732 9.411 1.00 0.00 H new ATOM 0 HB3 MET A 125 -13.682 -4.419 9.200 1.00 0.00 H new ATOM 0 HG2 MET A 125 -16.007 -3.121 10.113 1.00 0.00 H new ATOM 0 HG3 MET A 125 -15.987 -4.613 11.031 1.00 0.00 H new ATOM 0 HE1 MET A 125 -13.704 -4.540 13.484 1.00 0.00 H new ATOM 0 HE2 MET A 125 -14.303 -5.549 12.147 1.00 0.00 H new ATOM 0 HE3 MET A 125 -12.604 -5.020 12.170 1.00 0.00 H new ATOM 2035 N PHE A 126 -13.397 -3.609 6.861 1.00 0.00 N ATOM 2036 CA PHE A 126 -12.493 -2.713 6.161 1.00 0.00 C ATOM 2037 C PHE A 126 -13.256 -1.814 5.186 1.00 0.00 C ATOM 2038 O PHE A 126 -12.866 -0.671 4.955 1.00 0.00 O ATOM 2039 CB PHE A 126 -11.518 -3.589 5.372 1.00 0.00 C ATOM 2040 CG PHE A 126 -10.188 -2.906 5.049 1.00 0.00 C ATOM 2041 CD1 PHE A 126 -9.238 -2.778 6.014 1.00 0.00 C ATOM 2042 CD2 PHE A 126 -9.954 -2.427 3.798 1.00 0.00 C ATOM 2043 CE1 PHE A 126 -8.003 -2.144 5.716 1.00 0.00 C ATOM 2044 CE2 PHE A 126 -8.720 -1.793 3.499 1.00 0.00 C ATOM 2045 CZ PHE A 126 -7.770 -1.665 4.464 1.00 0.00 C ATOM 0 H PHE A 126 -13.025 -4.544 7.030 1.00 0.00 H new ATOM 0 HA PHE A 126 -11.978 -2.072 6.876 1.00 0.00 H new ATOM 0 HB2 PHE A 126 -11.319 -4.497 5.941 1.00 0.00 H new ATOM 0 HB3 PHE A 126 -11.993 -3.895 4.440 1.00 0.00 H new ATOM 0 HD1 PHE A 126 -9.423 -3.159 7.008 1.00 0.00 H new ATOM 0 HD2 PHE A 126 -10.708 -2.529 3.031 1.00 0.00 H new ATOM 0 HE1 PHE A 126 -7.249 -2.042 6.483 1.00 0.00 H new ATOM 0 HE2 PHE A 126 -8.535 -1.412 2.505 1.00 0.00 H new ATOM 0 HZ PHE A 126 -6.831 -1.183 4.236 1.00 0.00 H new ATOM 2055 N LEU A 127 -14.331 -2.365 4.641 1.00 0.00 N ATOM 2056 CA LEU A 127 -15.153 -1.627 3.697 1.00 0.00 C ATOM 2057 C LEU A 127 -16.514 -1.335 4.332 1.00 0.00 C ATOM 2058 O LEU A 127 -16.887 -1.958 5.324 1.00 0.00 O ATOM 2059 CB LEU A 127 -15.243 -2.377 2.366 1.00 0.00 C ATOM 2060 CG LEU A 127 -13.924 -2.915 1.808 1.00 0.00 C ATOM 2061 CD1 LEU A 127 -14.161 -4.142 0.927 1.00 0.00 C ATOM 2062 CD2 LEU A 127 -13.153 -1.819 1.070 1.00 0.00 C ATOM 0 H LEU A 127 -14.652 -3.314 4.835 1.00 0.00 H new ATOM 0 HA LEU A 127 -14.697 -0.665 3.465 1.00 0.00 H new ATOM 0 HB2 LEU A 127 -15.931 -3.214 2.489 1.00 0.00 H new ATOM 0 HB3 LEU A 127 -15.683 -1.710 1.625 1.00 0.00 H new ATOM 0 HG LEU A 127 -13.305 -3.236 2.646 1.00 0.00 H new ATOM 0 HD11 LEU A 127 -13.207 -4.504 0.543 1.00 0.00 H new ATOM 0 HD12 LEU A 127 -14.637 -4.926 1.516 1.00 0.00 H new ATOM 0 HD13 LEU A 127 -14.808 -3.871 0.093 1.00 0.00 H new ATOM 0 HD21 LEU A 127 -12.220 -2.228 0.683 1.00 0.00 H new ATOM 0 HD22 LEU A 127 -13.755 -1.445 0.242 1.00 0.00 H new ATOM 0 HD23 LEU A 127 -12.934 -1.002 1.758 1.00 0.00 H new ATOM 2074 N GLN A 128 -17.219 -0.386 3.733 1.00 0.00 N ATOM 2075 CA GLN A 128 -18.530 -0.004 4.227 1.00 0.00 C ATOM 2076 C GLN A 128 -18.399 0.747 5.554 1.00 0.00 C ATOM 2077 O GLN A 128 -18.862 1.880 5.679 1.00 0.00 O ATOM 2078 CB GLN A 128 -19.438 -1.226 4.376 1.00 0.00 C ATOM 2079 CG GLN A 128 -19.513 -2.016 3.068 1.00 0.00 C ATOM 2080 CD GLN A 128 -20.463 -3.209 3.201 1.00 0.00 C ATOM 2081 OE1 GLN A 128 -20.799 -3.649 4.288 1.00 0.00 O ATOM 2082 NE2 GLN A 128 -20.875 -3.704 2.038 1.00 0.00 N ATOM 0 H GLN A 128 -16.906 0.129 2.910 1.00 0.00 H new ATOM 0 HA GLN A 128 -18.991 0.663 3.498 1.00 0.00 H new ATOM 0 HB2 GLN A 128 -19.061 -1.868 5.172 1.00 0.00 H new ATOM 0 HB3 GLN A 128 -20.438 -0.907 4.670 1.00 0.00 H new ATOM 0 HG2 GLN A 128 -19.853 -1.363 2.264 1.00 0.00 H new ATOM 0 HG3 GLN A 128 -18.518 -2.367 2.794 1.00 0.00 H new ATOM 0 HE21 GLN A 128 -20.554 -3.287 1.164 1.00 0.00 H new ATOM 0 HE22 GLN A 128 -21.512 -4.501 2.020 1.00 0.00 H new ATOM 2091 N GLU A 129 -17.767 0.085 6.512 1.00 0.00 N ATOM 2092 CA GLU A 129 -17.569 0.676 7.825 1.00 0.00 C ATOM 2093 C GLU A 129 -16.579 1.839 7.739 1.00 0.00 C ATOM 2094 O GLU A 129 -15.699 1.849 6.880 1.00 0.00 O ATOM 2095 CB GLU A 129 -17.096 -0.374 8.832 1.00 0.00 C ATOM 2096 CG GLU A 129 -18.164 -1.447 9.049 1.00 0.00 C ATOM 2097 CD GLU A 129 -18.689 -1.417 10.486 1.00 0.00 C ATOM 2098 OE1 GLU A 129 -17.871 -1.679 11.394 1.00 0.00 O ATOM 2099 OE2 GLU A 129 -19.896 -1.132 10.644 1.00 0.00 O ATOM 0 H GLU A 129 -17.385 -0.855 6.405 1.00 0.00 H new ATOM 0 HA GLU A 129 -18.525 1.064 8.176 1.00 0.00 H new ATOM 0 HB2 GLU A 129 -16.177 -0.838 8.474 1.00 0.00 H new ATOM 0 HB3 GLU A 129 -16.861 0.107 9.781 1.00 0.00 H new ATOM 0 HG2 GLU A 129 -18.989 -1.290 8.354 1.00 0.00 H new ATOM 0 HG3 GLU A 129 -17.746 -2.430 8.831 1.00 0.00 H new ATOM 2106 N GLU A 130 -16.757 2.792 8.643 1.00 0.00 N ATOM 2107 CA GLU A 130 -15.891 3.958 8.680 1.00 0.00 C ATOM 2108 C GLU A 130 -14.647 3.668 9.522 1.00 0.00 C ATOM 2109 O GLU A 130 -13.541 3.573 8.990 1.00 0.00 O ATOM 2110 CB GLU A 130 -16.640 5.181 9.213 1.00 0.00 C ATOM 2111 CG GLU A 130 -15.689 6.362 9.415 1.00 0.00 C ATOM 2112 CD GLU A 130 -15.336 7.017 8.078 1.00 0.00 C ATOM 2113 OE1 GLU A 130 -16.289 7.385 7.357 1.00 0.00 O ATOM 2114 OE2 GLU A 130 -14.122 7.133 7.806 1.00 0.00 O ATOM 0 H GLU A 130 -17.488 2.780 9.355 1.00 0.00 H new ATOM 0 HA GLU A 130 -15.573 4.183 7.662 1.00 0.00 H new ATOM 0 HB2 GLU A 130 -17.430 5.461 8.516 1.00 0.00 H new ATOM 0 HB3 GLU A 130 -17.123 4.933 10.158 1.00 0.00 H new ATOM 0 HG2 GLU A 130 -16.152 7.097 10.073 1.00 0.00 H new ATOM 0 HG3 GLU A 130 -14.779 6.020 9.908 1.00 0.00 H new ATOM 2121 N ALA A 131 -14.868 3.535 10.822 1.00 0.00 N ATOM 2122 CA ALA A 131 -13.778 3.257 11.742 1.00 0.00 C ATOM 2123 C ALA A 131 -13.825 1.784 12.152 1.00 0.00 C ATOM 2124 O ALA A 131 -14.869 1.285 12.568 1.00 0.00 O ATOM 2125 CB ALA A 131 -13.872 4.200 12.943 1.00 0.00 C ATOM 0 H ALA A 131 -15.786 3.615 11.260 1.00 0.00 H new ATOM 0 HA ALA A 131 -12.816 3.434 11.262 1.00 0.00 H new ATOM 0 HB1 ALA A 131 -13.055 3.992 13.634 1.00 0.00 H new ATOM 0 HB2 ALA A 131 -13.804 5.233 12.601 1.00 0.00 H new ATOM 0 HB3 ALA A 131 -14.824 4.048 13.451 1.00 0.00 H new ATOM 2131 N ILE A 132 -12.681 1.129 12.019 1.00 0.00 N ATOM 2132 CA ILE A 132 -12.579 -0.277 12.370 1.00 0.00 C ATOM 2133 C ILE A 132 -12.697 -0.429 13.888 1.00 0.00 C ATOM 2134 O ILE A 132 -12.028 0.279 14.640 1.00 0.00 O ATOM 2135 CB ILE A 132 -11.300 -0.883 11.788 1.00 0.00 C ATOM 2136 CG1 ILE A 132 -11.404 -1.029 10.269 1.00 0.00 C ATOM 2137 CG2 ILE A 132 -10.962 -2.210 12.471 1.00 0.00 C ATOM 2138 CD1 ILE A 132 -10.098 -1.565 9.679 1.00 0.00 C ATOM 0 H ILE A 132 -11.817 1.546 11.673 1.00 0.00 H new ATOM 0 HA ILE A 132 -13.401 -0.841 11.928 1.00 0.00 H new ATOM 0 HB ILE A 132 -10.476 -0.199 11.989 1.00 0.00 H new ATOM 0 HG12 ILE A 132 -12.223 -1.703 10.020 1.00 0.00 H new ATOM 0 HG13 ILE A 132 -11.639 -0.063 9.822 1.00 0.00 H new ATOM 0 HG21 ILE A 132 -10.049 -2.619 12.039 1.00 0.00 H new ATOM 0 HG22 ILE A 132 -10.815 -2.043 13.538 1.00 0.00 H new ATOM 0 HG23 ILE A 132 -11.781 -2.914 12.323 1.00 0.00 H new ATOM 0 HD11 ILE A 132 -10.199 -1.659 8.598 1.00 0.00 H new ATOM 0 HD12 ILE A 132 -9.285 -0.876 9.909 1.00 0.00 H new ATOM 0 HD13 ILE A 132 -9.878 -2.542 10.110 1.00 0.00 H new ATOM 2150 N ASP A 133 -13.551 -1.357 14.293 1.00 0.00 N ATOM 2151 CA ASP A 133 -13.765 -1.611 15.707 1.00 0.00 C ATOM 2152 C ASP A 133 -12.810 -2.712 16.174 1.00 0.00 C ATOM 2153 O ASP A 133 -13.122 -3.457 17.101 1.00 0.00 O ATOM 2154 CB ASP A 133 -15.196 -2.083 15.972 1.00 0.00 C ATOM 2155 CG ASP A 133 -16.242 -0.969 16.042 1.00 0.00 C ATOM 2156 OD1 ASP A 133 -16.118 -0.130 16.961 1.00 0.00 O ATOM 2157 OD2 ASP A 133 -17.142 -0.980 15.174 1.00 0.00 O ATOM 0 H ASP A 133 -14.103 -1.942 13.666 1.00 0.00 H new ATOM 0 HA ASP A 133 -13.586 -0.681 16.247 1.00 0.00 H new ATOM 0 HB2 ASP A 133 -15.483 -2.782 15.186 1.00 0.00 H new ATOM 0 HB3 ASP A 133 -15.212 -2.635 16.911 1.00 0.00 H new ATOM 2162 N ARG A 134 -11.666 -2.779 15.509 1.00 0.00 N ATOM 2163 CA ARG A 134 -10.664 -3.776 15.843 1.00 0.00 C ATOM 2164 C ARG A 134 -11.337 -5.085 16.262 1.00 0.00 C ATOM 2165 O ARG A 134 -11.696 -5.902 15.415 1.00 0.00 O ATOM 2166 CB ARG A 134 -9.760 -3.290 16.978 1.00 0.00 C ATOM 2167 CG ARG A 134 -8.786 -2.218 16.482 1.00 0.00 C ATOM 2168 CD ARG A 134 -8.736 -1.034 17.448 1.00 0.00 C ATOM 2169 NE ARG A 134 -7.912 0.054 16.874 1.00 0.00 N ATOM 2170 CZ ARG A 134 -7.739 1.250 17.452 1.00 0.00 C ATOM 2171 NH1 ARG A 134 -8.330 1.520 18.623 1.00 0.00 N ATOM 2172 NH2 ARG A 134 -6.974 2.176 16.858 1.00 0.00 N ATOM 0 H ARG A 134 -11.411 -2.159 14.740 1.00 0.00 H new ATOM 0 HA ARG A 134 -10.055 -3.944 14.955 1.00 0.00 H new ATOM 0 HB2 ARG A 134 -10.370 -2.886 17.786 1.00 0.00 H new ATOM 0 HB3 ARG A 134 -9.202 -4.131 17.389 1.00 0.00 H new ATOM 0 HG2 ARG A 134 -7.790 -2.648 16.376 1.00 0.00 H new ATOM 0 HG3 ARG A 134 -9.091 -1.873 15.494 1.00 0.00 H new ATOM 0 HD2 ARG A 134 -9.745 -0.672 17.645 1.00 0.00 H new ATOM 0 HD3 ARG A 134 -8.319 -1.351 18.404 1.00 0.00 H new ATOM 0 HE ARG A 134 -7.447 -0.118 15.983 1.00 0.00 H new ATOM 0 HH11 ARG A 134 -8.912 0.815 19.075 1.00 0.00 H new ATOM 0 HH12 ARG A 134 -8.198 2.431 19.063 1.00 0.00 H new ATOM 0 HH21 ARG A 134 -6.524 1.970 15.966 1.00 0.00 H new ATOM 0 HH22 ARG A 134 -6.842 3.087 17.298 1.00 0.00 H new