USER MOD reduce.3.24.130724 H: found=0, std=0, add=642, rem=0, adj=20 USER MOD reduce.3.24.130724 removed 645 hydrogens (0 hets) USER MOD ----------------------------------------------------------------- USER MOD scores for adjustable sidechains, with "set" totals for H,N and Q USER MOD "o" means original, "f" means flipped, "180deg" is methyl default USER MOD "!" flags a clash with an overlap of 0.40A or greater USER MOD flip categories: "K"=keep, "C"=clashes, "X"=uncertain, "F"=flip USER MOD Set 1.1: A 90 SER OG : rot 18:sc= 1.03 USER MOD Set 1.2: A 92 HIS :FLIP no HE2:sc= -0.657 F(o=-0.93,f=0.37) USER MOD Set 2.1: A 79 THR OG1 : rot 180:sc= 0 USER MOD Set 2.2: A 88 THR OG1 : rot 180:sc= 0 USER MOD Set 3.1: A 43 LYS NZ :NH3+ 172:sc= 1.44 (180deg=1.05) USER MOD Set 3.2: A 78 TYR OH : rot 180:sc= -1.05 USER MOD Single : A 13 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 18 GLN : amide:sc= -2.43 K(o=-2.4,f=-3.9) USER MOD Single : A 30 CYS SG : rot 180:sc= -2.45! USER MOD Single : A 33 SER OG : rot 180:sc= 0 USER MOD Single : A 40 HIS : no HD1:sc= -0.0247 X(o=-0.025,f=0) USER MOD Single : A 46 LYS NZ :NH3+ -136:sc= -0.909 (180deg=-3.11!) USER MOD Single : A 50 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 51 SER OG : rot 180:sc= 0 USER MOD Single : A 52 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 53 LYS NZ :NH3+ 175:sc= 0.996 (180deg=0.819) USER MOD Single : A 54 TYR OH : rot 180:sc= 0 USER MOD Single : A 61 THR OG1 : rot -28:sc= 0.0277 USER MOD Single : A 62 MET CE :methyl 174:sc= 0 (180deg=-0.0188) USER MOD Single : A 64 MET CE :methyl 171:sc=-0.00754 (180deg=-0.161) USER MOD Single : A 71 SER OG : rot 180:sc= 0 USER MOD Single : A 73 LYS NZ :NH3+ 166:sc= -0.0102 (180deg=-0.155) USER MOD Single : A 80 CYS SG : rot 56:sc= -3.02 USER MOD Single : A 85 SER OG : rot -123:sc= -4.81! USER MOD Single : A 86 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 87 SER OG : rot -80:sc= 0.104 USER MOD ----------------------------------------------------------------- ATOM 80 N ALA A 9 4.311 20.189 -1.684 1.00 0.00 N ATOM 81 CA ALA A 9 4.655 18.772 -1.689 1.00 0.00 C ATOM 82 C ALA A 9 3.424 17.910 -1.945 1.00 0.00 C ATOM 83 O ALA A 9 3.324 16.790 -1.443 1.00 0.00 O ATOM 84 CB ALA A 9 5.310 18.384 -0.373 1.00 0.00 C ATOM 0 HA ALA A 9 5.363 18.597 -2.499 1.00 0.00 H new ATOM 0 HB1 ALA A 9 5.562 17.324 -0.391 1.00 0.00 H new ATOM 0 HB2 ALA A 9 6.218 18.970 -0.232 1.00 0.00 H new ATOM 0 HB3 ALA A 9 4.621 18.580 0.448 1.00 0.00 H new ATOM 90 N ALA A 10 2.488 18.438 -2.727 1.00 0.00 N ATOM 91 CA ALA A 10 1.264 17.715 -3.049 1.00 0.00 C ATOM 92 C ALA A 10 1.563 16.473 -3.882 1.00 0.00 C ATOM 93 O ALA A 10 2.672 16.308 -4.391 1.00 0.00 O ATOM 94 CB ALA A 10 0.292 18.625 -3.785 1.00 0.00 C ATOM 0 H ALA A 10 2.554 19.364 -3.149 1.00 0.00 H new ATOM 0 HA ALA A 10 0.806 17.392 -2.114 1.00 0.00 H new ATOM 0 HB1 ALA A 10 -0.618 18.072 -4.019 1.00 0.00 H new ATOM 0 HB2 ALA A 10 0.045 19.479 -3.155 1.00 0.00 H new ATOM 0 HB3 ALA A 10 0.751 18.976 -4.709 1.00 0.00 H new ATOM 100 N ILE A 11 0.569 15.602 -4.015 1.00 0.00 N ATOM 101 CA ILE A 11 0.726 14.376 -4.787 1.00 0.00 C ATOM 102 C ILE A 11 0.259 14.567 -6.226 1.00 0.00 C ATOM 103 O ILE A 11 -0.919 14.825 -6.477 1.00 0.00 O ATOM 104 CB ILE A 11 -0.056 13.209 -4.156 1.00 0.00 C ATOM 105 CG1 ILE A 11 0.414 12.968 -2.720 1.00 0.00 C ATOM 106 CG2 ILE A 11 0.107 11.948 -4.991 1.00 0.00 C ATOM 107 CD1 ILE A 11 -0.586 12.211 -1.875 1.00 0.00 C ATOM 0 H ILE A 11 -0.354 15.723 -3.598 1.00 0.00 H new ATOM 0 HA ILE A 11 1.789 14.135 -4.782 1.00 0.00 H new ATOM 0 HB ILE A 11 -1.114 13.471 -4.133 1.00 0.00 H new ATOM 0 HG12 ILE A 11 1.352 12.414 -2.742 1.00 0.00 H new ATOM 0 HG13 ILE A 11 0.622 13.928 -2.249 1.00 0.00 H new ATOM 0 HG21 ILE A 11 -0.452 11.133 -4.532 1.00 0.00 H new ATOM 0 HG22 ILE A 11 -0.273 12.126 -5.997 1.00 0.00 H new ATOM 0 HG23 ILE A 11 1.162 11.680 -5.044 1.00 0.00 H new ATOM 0 HD11 ILE A 11 -0.186 12.077 -0.870 1.00 0.00 H new ATOM 0 HD12 ILE A 11 -1.518 12.774 -1.822 1.00 0.00 H new ATOM 0 HD13 ILE A 11 -0.776 11.236 -2.323 1.00 0.00 H new ATOM 119 N ILE A 12 1.188 14.438 -7.166 1.00 0.00 N ATOM 120 CA ILE A 12 0.871 14.594 -8.580 1.00 0.00 C ATOM 121 C ILE A 12 0.349 13.289 -9.173 1.00 0.00 C ATOM 122 O ILE A 12 -0.533 13.294 -10.032 1.00 0.00 O ATOM 123 CB ILE A 12 2.099 15.056 -9.386 1.00 0.00 C ATOM 124 CG1 ILE A 12 3.378 14.460 -8.793 1.00 0.00 C ATOM 125 CG2 ILE A 12 2.177 16.575 -9.408 1.00 0.00 C ATOM 126 CD1 ILE A 12 3.983 15.302 -7.692 1.00 0.00 C ATOM 0 H ILE A 12 2.167 14.226 -6.974 1.00 0.00 H new ATOM 0 HA ILE A 12 0.096 15.357 -8.647 1.00 0.00 H new ATOM 0 HB ILE A 12 1.997 14.702 -10.412 1.00 0.00 H new ATOM 0 HG12 ILE A 12 3.159 13.467 -8.401 1.00 0.00 H new ATOM 0 HG13 ILE A 12 4.113 14.334 -9.588 1.00 0.00 H new ATOM 0 HG21 ILE A 12 3.050 16.886 -9.981 1.00 0.00 H new ATOM 0 HG22 ILE A 12 1.276 16.979 -9.870 1.00 0.00 H new ATOM 0 HG23 ILE A 12 2.260 16.950 -8.388 1.00 0.00 H new ATOM 0 HD11 ILE A 12 4.886 14.819 -7.319 1.00 0.00 H new ATOM 0 HD12 ILE A 12 4.234 16.288 -8.084 1.00 0.00 H new ATOM 0 HD13 ILE A 12 3.265 15.407 -6.878 1.00 0.00 H new ATOM 138 N LYS A 13 0.899 12.173 -8.709 1.00 0.00 N ATOM 139 CA LYS A 13 0.488 10.859 -9.190 1.00 0.00 C ATOM 140 C LYS A 13 -0.319 10.119 -8.128 1.00 0.00 C ATOM 141 O LYS A 13 0.227 9.561 -7.175 1.00 0.00 O ATOM 142 CB LYS A 13 1.714 10.031 -9.583 1.00 0.00 C ATOM 143 CG LYS A 13 2.391 10.514 -10.854 1.00 0.00 C ATOM 144 CD LYS A 13 3.197 9.406 -11.511 1.00 0.00 C ATOM 145 CE LYS A 13 2.361 8.632 -12.519 1.00 0.00 C ATOM 146 NZ LYS A 13 3.211 7.897 -13.496 1.00 0.00 N ATOM 0 H LYS A 13 1.631 12.152 -7.999 1.00 0.00 H new ATOM 0 HA LYS A 13 -0.143 11.002 -10.067 1.00 0.00 H new ATOM 0 HB2 LYS A 13 2.435 10.054 -8.766 1.00 0.00 H new ATOM 0 HB3 LYS A 13 1.413 8.991 -9.714 1.00 0.00 H new ATOM 0 HG2 LYS A 13 1.638 10.881 -11.552 1.00 0.00 H new ATOM 0 HG3 LYS A 13 3.046 11.354 -10.622 1.00 0.00 H new ATOM 0 HD2 LYS A 13 4.067 9.834 -12.010 1.00 0.00 H new ATOM 0 HD3 LYS A 13 3.571 8.724 -10.747 1.00 0.00 H new ATOM 0 HE2 LYS A 13 1.719 7.926 -11.992 1.00 0.00 H new ATOM 0 HE3 LYS A 13 1.706 9.321 -13.053 1.00 0.00 H new ATOM 0 HZ1 LYS A 13 2.604 7.382 -14.166 1.00 0.00 H new ATOM 0 HZ2 LYS A 13 3.805 8.573 -14.017 1.00 0.00 H new ATOM 0 HZ3 LYS A 13 3.818 7.221 -12.989 1.00 0.00 H new ATOM 160 N PRO A 14 -1.650 10.110 -8.294 1.00 0.00 N ATOM 161 CA PRO A 14 -2.560 9.440 -7.361 1.00 0.00 C ATOM 162 C PRO A 14 -2.444 7.921 -7.428 1.00 0.00 C ATOM 163 O PRO A 14 -2.012 7.365 -8.439 1.00 0.00 O ATOM 164 CB PRO A 14 -3.945 9.891 -7.831 1.00 0.00 C ATOM 165 CG PRO A 14 -3.768 10.220 -9.273 1.00 0.00 C ATOM 166 CD PRO A 14 -2.369 10.754 -9.407 1.00 0.00 C ATOM 0 HA PRO A 14 -2.342 9.696 -6.324 1.00 0.00 H new ATOM 0 HB2 PRO A 14 -4.686 9.103 -7.693 1.00 0.00 H new ATOM 0 HB3 PRO A 14 -4.292 10.757 -7.267 1.00 0.00 H new ATOM 0 HG2 PRO A 14 -3.910 9.336 -9.895 1.00 0.00 H new ATOM 0 HG3 PRO A 14 -4.501 10.959 -9.597 1.00 0.00 H new ATOM 0 HD2 PRO A 14 -1.931 10.496 -10.371 1.00 0.00 H new ATOM 0 HD3 PRO A 14 -2.344 11.841 -9.326 1.00 0.00 H new ATOM 174 N LEU A 15 -2.832 7.254 -6.347 1.00 0.00 N ATOM 175 CA LEU A 15 -2.771 5.798 -6.283 1.00 0.00 C ATOM 176 C LEU A 15 -3.755 5.169 -7.264 1.00 0.00 C ATOM 177 O LEU A 15 -4.422 5.870 -8.023 1.00 0.00 O ATOM 178 CB LEU A 15 -3.072 5.317 -4.862 1.00 0.00 C ATOM 179 CG LEU A 15 -2.172 5.877 -3.760 1.00 0.00 C ATOM 180 CD1 LEU A 15 -2.748 5.560 -2.388 1.00 0.00 C ATOM 181 CD2 LEU A 15 -0.761 5.321 -3.889 1.00 0.00 C ATOM 0 H LEU A 15 -3.192 7.698 -5.502 1.00 0.00 H new ATOM 0 HA LEU A 15 -1.763 5.488 -6.559 1.00 0.00 H new ATOM 0 HB2 LEU A 15 -4.105 5.572 -4.625 1.00 0.00 H new ATOM 0 HB3 LEU A 15 -3.000 4.230 -4.845 1.00 0.00 H new ATOM 0 HG LEU A 15 -2.126 6.960 -3.871 1.00 0.00 H new ATOM 0 HD11 LEU A 15 -2.094 5.966 -1.616 1.00 0.00 H new ATOM 0 HD12 LEU A 15 -3.738 6.007 -2.297 1.00 0.00 H new ATOM 0 HD13 LEU A 15 -2.825 4.480 -2.267 1.00 0.00 H new ATOM 0 HD21 LEU A 15 -0.135 5.731 -3.096 1.00 0.00 H new ATOM 0 HD22 LEU A 15 -0.789 4.235 -3.805 1.00 0.00 H new ATOM 0 HD23 LEU A 15 -0.348 5.599 -4.858 1.00 0.00 H new ATOM 193 N GLU A 16 -3.841 3.842 -7.239 1.00 0.00 N ATOM 194 CA GLU A 16 -4.745 3.119 -8.125 1.00 0.00 C ATOM 195 C GLU A 16 -5.245 1.837 -7.465 1.00 0.00 C ATOM 196 O GLU A 16 -4.848 1.506 -6.348 1.00 0.00 O ATOM 197 CB GLU A 16 -4.045 2.787 -9.444 1.00 0.00 C ATOM 198 CG GLU A 16 -4.005 3.949 -10.422 1.00 0.00 C ATOM 199 CD GLU A 16 -5.313 4.132 -11.166 1.00 0.00 C ATOM 200 OE1 GLU A 16 -5.676 3.235 -11.955 1.00 0.00 O ATOM 201 OE2 GLU A 16 -5.974 5.171 -10.958 1.00 0.00 O ATOM 0 H GLU A 16 -3.296 3.247 -6.615 1.00 0.00 H new ATOM 0 HA GLU A 16 -5.603 3.760 -8.328 1.00 0.00 H new ATOM 0 HB2 GLU A 16 -3.025 2.465 -9.233 1.00 0.00 H new ATOM 0 HB3 GLU A 16 -4.554 1.945 -9.914 1.00 0.00 H new ATOM 0 HG2 GLU A 16 -3.768 4.865 -9.882 1.00 0.00 H new ATOM 0 HG3 GLU A 16 -3.202 3.786 -11.141 1.00 0.00 H new ATOM 208 N ASP A 17 -6.119 1.121 -8.164 1.00 0.00 N ATOM 209 CA ASP A 17 -6.673 -0.125 -7.647 1.00 0.00 C ATOM 210 C ASP A 17 -5.770 -1.305 -7.991 1.00 0.00 C ATOM 211 O ASP A 17 -5.429 -1.519 -9.154 1.00 0.00 O ATOM 212 CB ASP A 17 -8.075 -0.357 -8.213 1.00 0.00 C ATOM 213 CG ASP A 17 -8.163 -0.038 -9.692 1.00 0.00 C ATOM 214 OD1 ASP A 17 -7.118 -0.095 -10.374 1.00 0.00 O ATOM 215 OD2 ASP A 17 -9.276 0.269 -10.169 1.00 0.00 O ATOM 0 H ASP A 17 -6.459 1.382 -9.090 1.00 0.00 H new ATOM 0 HA ASP A 17 -6.736 -0.044 -6.562 1.00 0.00 H new ATOM 0 HB2 ASP A 17 -8.362 -1.396 -8.051 1.00 0.00 H new ATOM 0 HB3 ASP A 17 -8.790 0.260 -7.668 1.00 0.00 H new ATOM 220 N GLN A 18 -5.387 -2.067 -6.972 1.00 0.00 N ATOM 221 CA GLN A 18 -4.522 -3.225 -7.166 1.00 0.00 C ATOM 222 C GLN A 18 -5.332 -4.517 -7.159 1.00 0.00 C ATOM 223 O GLN A 18 -6.234 -4.690 -6.339 1.00 0.00 O ATOM 224 CB GLN A 18 -3.449 -3.275 -6.078 1.00 0.00 C ATOM 225 CG GLN A 18 -2.178 -2.523 -6.440 1.00 0.00 C ATOM 226 CD GLN A 18 -2.418 -1.042 -6.654 1.00 0.00 C ATOM 227 OE1 GLN A 18 -3.331 -0.458 -6.070 1.00 0.00 O ATOM 228 NE2 GLN A 18 -1.596 -0.424 -7.495 1.00 0.00 N ATOM 0 H GLN A 18 -5.662 -1.904 -6.003 1.00 0.00 H new ATOM 0 HA GLN A 18 -4.038 -3.127 -8.138 1.00 0.00 H new ATOM 0 HB2 GLN A 18 -3.858 -2.859 -5.157 1.00 0.00 H new ATOM 0 HB3 GLN A 18 -3.199 -4.316 -5.874 1.00 0.00 H new ATOM 0 HG2 GLN A 18 -1.442 -2.657 -5.647 1.00 0.00 H new ATOM 0 HG3 GLN A 18 -1.752 -2.953 -7.346 1.00 0.00 H new ATOM 0 HE21 GLN A 18 -0.852 -0.947 -7.958 1.00 0.00 H new ATOM 0 HE22 GLN A 18 -1.709 0.573 -7.678 1.00 0.00 H new ATOM 237 N TRP A 19 -5.005 -5.420 -8.076 1.00 0.00 N ATOM 238 CA TRP A 19 -5.703 -6.697 -8.175 1.00 0.00 C ATOM 239 C TRP A 19 -4.740 -7.861 -7.969 1.00 0.00 C ATOM 240 O TRP A 19 -4.046 -8.276 -8.897 1.00 0.00 O ATOM 241 CB TRP A 19 -6.390 -6.821 -9.535 1.00 0.00 C ATOM 242 CG TRP A 19 -7.750 -6.193 -9.574 1.00 0.00 C ATOM 243 CD1 TRP A 19 -8.911 -6.719 -9.083 1.00 0.00 C ATOM 244 CD2 TRP A 19 -8.090 -4.920 -10.134 1.00 0.00 C ATOM 245 NE1 TRP A 19 -9.952 -5.851 -9.305 1.00 0.00 N ATOM 246 CE2 TRP A 19 -9.475 -4.739 -9.948 1.00 0.00 C ATOM 247 CE3 TRP A 19 -7.360 -3.914 -10.774 1.00 0.00 C ATOM 248 CZ2 TRP A 19 -10.141 -3.595 -10.379 1.00 0.00 C ATOM 249 CZ3 TRP A 19 -8.022 -2.780 -11.201 1.00 0.00 C ATOM 250 CH2 TRP A 19 -9.401 -2.627 -11.002 1.00 0.00 C ATOM 0 H TRP A 19 -4.261 -5.292 -8.762 1.00 0.00 H new ATOM 0 HA TRP A 19 -6.458 -6.732 -7.390 1.00 0.00 H new ATOM 0 HB2 TRP A 19 -5.762 -6.357 -10.295 1.00 0.00 H new ATOM 0 HB3 TRP A 19 -6.477 -7.876 -9.795 1.00 0.00 H new ATOM 0 HD1 TRP A 19 -8.998 -7.677 -8.592 1.00 0.00 H new ATOM 0 HE1 TRP A 19 -10.923 -6.009 -9.035 1.00 0.00 H new ATOM 0 HE3 TRP A 19 -6.297 -4.022 -10.932 1.00 0.00 H new ATOM 0 HZ2 TRP A 19 -11.204 -3.476 -10.227 1.00 0.00 H new ATOM 0 HZ3 TRP A 19 -7.468 -1.997 -11.697 1.00 0.00 H new ATOM 0 HH2 TRP A 19 -9.889 -1.728 -11.347 1.00 0.00 H new ATOM 261 N VAL A 20 -4.703 -8.384 -6.747 1.00 0.00 N ATOM 262 CA VAL A 20 -3.825 -9.501 -6.421 1.00 0.00 C ATOM 263 C VAL A 20 -4.606 -10.644 -5.782 1.00 0.00 C ATOM 264 O VAL A 20 -5.832 -10.594 -5.684 1.00 0.00 O ATOM 265 CB VAL A 20 -2.697 -9.069 -5.466 1.00 0.00 C ATOM 266 CG1 VAL A 20 -1.967 -7.853 -6.017 1.00 0.00 C ATOM 267 CG2 VAL A 20 -3.253 -8.783 -4.079 1.00 0.00 C ATOM 0 H VAL A 20 -5.271 -8.052 -5.967 1.00 0.00 H new ATOM 0 HA VAL A 20 -3.386 -9.843 -7.358 1.00 0.00 H new ATOM 0 HB VAL A 20 -1.981 -9.887 -5.384 1.00 0.00 H new ATOM 0 HG11 VAL A 20 -1.173 -7.562 -5.329 1.00 0.00 H new ATOM 0 HG12 VAL A 20 -1.534 -8.097 -6.987 1.00 0.00 H new ATOM 0 HG13 VAL A 20 -2.670 -7.027 -6.130 1.00 0.00 H new ATOM 0 HG21 VAL A 20 -2.442 -8.479 -3.417 1.00 0.00 H new ATOM 0 HG22 VAL A 20 -3.990 -7.983 -4.141 1.00 0.00 H new ATOM 0 HG23 VAL A 20 -3.726 -9.682 -3.684 1.00 0.00 H new ATOM 277 N ALA A 21 -3.888 -11.675 -5.349 1.00 0.00 N ATOM 278 CA ALA A 21 -4.513 -12.831 -4.718 1.00 0.00 C ATOM 279 C ALA A 21 -4.256 -12.840 -3.215 1.00 0.00 C ATOM 280 O ALA A 21 -3.372 -12.150 -2.707 1.00 0.00 O ATOM 281 CB ALA A 21 -4.004 -14.118 -5.350 1.00 0.00 C ATOM 0 H ALA A 21 -2.872 -11.733 -5.424 1.00 0.00 H new ATOM 0 HA ALA A 21 -5.589 -12.763 -4.877 1.00 0.00 H new ATOM 0 HB1 ALA A 21 -4.479 -14.973 -4.869 1.00 0.00 H new ATOM 0 HB2 ALA A 21 -4.244 -14.121 -6.413 1.00 0.00 H new ATOM 0 HB3 ALA A 21 -2.924 -14.184 -5.221 1.00 0.00 H new ATOM 287 N PRO A 22 -5.048 -13.639 -2.484 1.00 0.00 N ATOM 288 CA PRO A 22 -4.925 -13.757 -1.027 1.00 0.00 C ATOM 289 C PRO A 22 -3.647 -14.477 -0.610 1.00 0.00 C ATOM 290 O PRO A 22 -3.629 -15.698 -0.468 1.00 0.00 O ATOM 291 CB PRO A 22 -6.155 -14.579 -0.633 1.00 0.00 C ATOM 292 CG PRO A 22 -6.495 -15.362 -1.855 1.00 0.00 C ATOM 293 CD PRO A 22 -6.123 -14.489 -3.022 1.00 0.00 C ATOM 0 HA PRO A 22 -4.873 -12.782 -0.542 1.00 0.00 H new ATOM 0 HB2 PRO A 22 -5.939 -15.235 0.210 1.00 0.00 H new ATOM 0 HB3 PRO A 22 -6.982 -13.935 -0.333 1.00 0.00 H new ATOM 0 HG2 PRO A 22 -5.946 -16.303 -1.881 1.00 0.00 H new ATOM 0 HG3 PRO A 22 -7.556 -15.611 -1.876 1.00 0.00 H new ATOM 0 HD2 PRO A 22 -5.781 -15.079 -3.872 1.00 0.00 H new ATOM 0 HD3 PRO A 22 -6.970 -13.896 -3.366 1.00 0.00 H new ATOM 301 N GLY A 23 -2.579 -13.710 -0.414 1.00 0.00 N ATOM 302 CA GLY A 23 -1.311 -14.292 -0.014 1.00 0.00 C ATOM 303 C GLY A 23 -0.124 -13.562 -0.610 1.00 0.00 C ATOM 304 O GLY A 23 1.012 -13.755 -0.178 1.00 0.00 O ATOM 0 H GLY A 23 -2.569 -12.696 -0.525 1.00 0.00 H new ATOM 0 HA2 GLY A 23 -1.235 -14.276 1.073 1.00 0.00 H new ATOM 0 HA3 GLY A 23 -1.282 -15.338 -0.321 1.00 0.00 H new ATOM 308 N GLU A 24 -0.387 -12.721 -1.606 1.00 0.00 N ATOM 309 CA GLU A 24 0.671 -11.962 -2.263 1.00 0.00 C ATOM 310 C GLU A 24 0.906 -10.631 -1.554 1.00 0.00 C ATOM 311 O GLU A 24 0.115 -10.219 -0.705 1.00 0.00 O ATOM 312 CB GLU A 24 0.315 -11.715 -3.730 1.00 0.00 C ATOM 313 CG GLU A 24 0.236 -12.986 -4.560 1.00 0.00 C ATOM 314 CD GLU A 24 1.580 -13.393 -5.131 1.00 0.00 C ATOM 315 OE1 GLU A 24 2.053 -12.720 -6.071 1.00 0.00 O ATOM 316 OE2 GLU A 24 2.158 -14.385 -4.640 1.00 0.00 O ATOM 0 H GLU A 24 -1.322 -12.548 -1.975 1.00 0.00 H new ATOM 0 HA GLU A 24 1.589 -12.548 -2.213 1.00 0.00 H new ATOM 0 HB2 GLU A 24 -0.643 -11.198 -3.780 1.00 0.00 H new ATOM 0 HB3 GLU A 24 1.059 -11.050 -4.169 1.00 0.00 H new ATOM 0 HG2 GLU A 24 -0.152 -13.796 -3.942 1.00 0.00 H new ATOM 0 HG3 GLU A 24 -0.472 -12.840 -5.376 1.00 0.00 H new ATOM 323 N ASP A 25 1.999 -9.964 -1.908 1.00 0.00 N ATOM 324 CA ASP A 25 2.339 -8.680 -1.307 1.00 0.00 C ATOM 325 C ASP A 25 1.945 -7.528 -2.227 1.00 0.00 C ATOM 326 O ASP A 25 2.271 -7.529 -3.414 1.00 0.00 O ATOM 327 CB ASP A 25 3.836 -8.616 -1.002 1.00 0.00 C ATOM 328 CG ASP A 25 4.685 -9.079 -2.170 1.00 0.00 C ATOM 329 OD1 ASP A 25 4.576 -10.263 -2.550 1.00 0.00 O ATOM 330 OD2 ASP A 25 5.460 -8.256 -2.702 1.00 0.00 O ATOM 0 H ASP A 25 2.665 -10.291 -2.608 1.00 0.00 H new ATOM 0 HA ASP A 25 1.782 -8.584 -0.375 1.00 0.00 H new ATOM 0 HB2 ASP A 25 4.108 -7.593 -0.742 1.00 0.00 H new ATOM 0 HB3 ASP A 25 4.053 -9.234 -0.131 1.00 0.00 H new ATOM 335 N VAL A 26 1.241 -6.548 -1.671 1.00 0.00 N ATOM 336 CA VAL A 26 0.803 -5.390 -2.441 1.00 0.00 C ATOM 337 C VAL A 26 1.714 -4.192 -2.199 1.00 0.00 C ATOM 338 O VAL A 26 2.230 -4.004 -1.097 1.00 0.00 O ATOM 339 CB VAL A 26 -0.645 -4.998 -2.090 1.00 0.00 C ATOM 340 CG1 VAL A 26 -0.986 -3.635 -2.674 1.00 0.00 C ATOM 341 CG2 VAL A 26 -1.618 -6.058 -2.584 1.00 0.00 C ATOM 0 H VAL A 26 0.962 -6.533 -0.690 1.00 0.00 H new ATOM 0 HA VAL A 26 0.851 -5.673 -3.493 1.00 0.00 H new ATOM 0 HB VAL A 26 -0.733 -4.934 -1.005 1.00 0.00 H new ATOM 0 HG11 VAL A 26 -2.013 -3.375 -2.416 1.00 0.00 H new ATOM 0 HG12 VAL A 26 -0.308 -2.885 -2.267 1.00 0.00 H new ATOM 0 HG13 VAL A 26 -0.882 -3.667 -3.759 1.00 0.00 H new ATOM 0 HG21 VAL A 26 -2.636 -5.765 -2.328 1.00 0.00 H new ATOM 0 HG22 VAL A 26 -1.530 -6.156 -3.666 1.00 0.00 H new ATOM 0 HG23 VAL A 26 -1.386 -7.013 -2.113 1.00 0.00 H new ATOM 351 N GLU A 27 1.908 -3.384 -3.237 1.00 0.00 N ATOM 352 CA GLU A 27 2.759 -2.204 -3.137 1.00 0.00 C ATOM 353 C GLU A 27 2.085 -0.992 -3.775 1.00 0.00 C ATOM 354 O GLU A 27 1.856 -0.961 -4.985 1.00 0.00 O ATOM 355 CB GLU A 27 4.109 -2.463 -3.808 1.00 0.00 C ATOM 356 CG GLU A 27 4.878 -3.624 -3.200 1.00 0.00 C ATOM 357 CD GLU A 27 6.080 -4.027 -4.032 1.00 0.00 C ATOM 358 OE1 GLU A 27 6.997 -3.195 -4.193 1.00 0.00 O ATOM 359 OE2 GLU A 27 6.103 -5.175 -4.523 1.00 0.00 O ATOM 0 H GLU A 27 1.488 -3.525 -4.156 1.00 0.00 H new ATOM 0 HA GLU A 27 2.922 -1.993 -2.080 1.00 0.00 H new ATOM 0 HB2 GLU A 27 3.947 -2.661 -4.868 1.00 0.00 H new ATOM 0 HB3 GLU A 27 4.717 -1.561 -3.742 1.00 0.00 H new ATOM 0 HG2 GLU A 27 5.209 -3.351 -2.198 1.00 0.00 H new ATOM 0 HG3 GLU A 27 4.212 -4.480 -3.093 1.00 0.00 H new ATOM 366 N LEU A 28 1.771 0.003 -2.953 1.00 0.00 N ATOM 367 CA LEU A 28 1.123 1.218 -3.436 1.00 0.00 C ATOM 368 C LEU A 28 2.094 2.394 -3.427 1.00 0.00 C ATOM 369 O LEU A 28 2.331 3.008 -2.387 1.00 0.00 O ATOM 370 CB LEU A 28 -0.099 1.544 -2.575 1.00 0.00 C ATOM 371 CG LEU A 28 -1.153 0.442 -2.460 1.00 0.00 C ATOM 372 CD1 LEU A 28 -1.938 0.587 -1.165 1.00 0.00 C ATOM 373 CD2 LEU A 28 -2.089 0.472 -3.659 1.00 0.00 C ATOM 0 H LEU A 28 1.954 -0.007 -1.950 1.00 0.00 H new ATOM 0 HA LEU A 28 0.801 1.045 -4.463 1.00 0.00 H new ATOM 0 HB2 LEU A 28 0.245 1.796 -1.572 1.00 0.00 H new ATOM 0 HB3 LEU A 28 -0.577 2.435 -2.981 1.00 0.00 H new ATOM 0 HG LEU A 28 -0.643 -0.521 -2.446 1.00 0.00 H new ATOM 0 HD11 LEU A 28 -2.683 -0.206 -1.101 1.00 0.00 H new ATOM 0 HD12 LEU A 28 -1.257 0.515 -0.317 1.00 0.00 H new ATOM 0 HD13 LEU A 28 -2.437 1.556 -1.148 1.00 0.00 H new ATOM 0 HD21 LEU A 28 -2.832 -0.319 -3.560 1.00 0.00 H new ATOM 0 HD22 LEU A 28 -2.591 1.438 -3.704 1.00 0.00 H new ATOM 0 HD23 LEU A 28 -1.515 0.318 -4.573 1.00 0.00 H new ATOM 385 N ARG A 29 2.653 2.702 -4.593 1.00 0.00 N ATOM 386 CA ARG A 29 3.598 3.805 -4.719 1.00 0.00 C ATOM 387 C ARG A 29 2.882 5.091 -5.119 1.00 0.00 C ATOM 388 O ARG A 29 1.739 5.061 -5.577 1.00 0.00 O ATOM 389 CB ARG A 29 4.675 3.466 -5.751 1.00 0.00 C ATOM 390 CG ARG A 29 5.730 2.501 -5.236 1.00 0.00 C ATOM 391 CD ARG A 29 6.816 2.257 -6.273 1.00 0.00 C ATOM 392 NE ARG A 29 8.104 1.954 -5.655 1.00 0.00 N ATOM 393 CZ ARG A 29 9.178 1.579 -6.342 1.00 0.00 C ATOM 394 NH1 ARG A 29 9.118 1.463 -7.661 1.00 0.00 N ATOM 395 NH2 ARG A 29 10.315 1.321 -5.708 1.00 0.00 N ATOM 0 H ARG A 29 2.468 2.203 -5.463 1.00 0.00 H new ATOM 0 HA ARG A 29 4.070 3.959 -3.749 1.00 0.00 H new ATOM 0 HB2 ARG A 29 4.199 3.035 -6.632 1.00 0.00 H new ATOM 0 HB3 ARG A 29 5.162 4.387 -6.071 1.00 0.00 H new ATOM 0 HG2 ARG A 29 6.178 2.901 -4.326 1.00 0.00 H new ATOM 0 HG3 ARG A 29 5.260 1.554 -4.970 1.00 0.00 H new ATOM 0 HD2 ARG A 29 6.521 1.431 -6.920 1.00 0.00 H new ATOM 0 HD3 ARG A 29 6.916 3.138 -6.907 1.00 0.00 H new ATOM 0 HE ARG A 29 8.184 2.035 -4.641 1.00 0.00 H new ATOM 0 HH11 ARG A 29 8.246 1.662 -8.151 1.00 0.00 H new ATOM 0 HH12 ARG A 29 9.944 1.175 -8.186 1.00 0.00 H new ATOM 0 HH21 ARG A 29 10.365 1.410 -4.693 1.00 0.00 H new ATOM 0 HH22 ARG A 29 11.139 1.033 -6.236 1.00 0.00 H new ATOM 409 N CYS A 30 3.560 6.220 -4.942 1.00 0.00 N ATOM 410 CA CYS A 30 2.988 7.517 -5.284 1.00 0.00 C ATOM 411 C CYS A 30 4.083 8.516 -5.643 1.00 0.00 C ATOM 412 O CYS A 30 5.262 8.167 -5.696 1.00 0.00 O ATOM 413 CB CYS A 30 2.155 8.053 -4.119 1.00 0.00 C ATOM 414 SG CYS A 30 3.112 8.959 -2.881 1.00 0.00 S ATOM 0 H CYS A 30 4.506 6.263 -4.564 1.00 0.00 H new ATOM 0 HA CYS A 30 2.343 7.385 -6.152 1.00 0.00 H new ATOM 0 HB2 CYS A 30 1.378 8.709 -4.513 1.00 0.00 H new ATOM 0 HB3 CYS A 30 1.651 7.218 -3.633 1.00 0.00 H new ATOM 0 HG CYS A 30 2.319 9.374 -1.938 1.00 0.00 H new ATOM 420 N GLU A 31 3.685 9.760 -5.890 1.00 0.00 N ATOM 421 CA GLU A 31 4.633 10.809 -6.247 1.00 0.00 C ATOM 422 C GLU A 31 4.316 12.104 -5.506 1.00 0.00 C ATOM 423 O GLU A 31 3.160 12.379 -5.178 1.00 0.00 O ATOM 424 CB GLU A 31 4.611 11.054 -7.757 1.00 0.00 C ATOM 425 CG GLU A 31 5.784 11.881 -8.256 1.00 0.00 C ATOM 426 CD GLU A 31 6.134 11.584 -9.701 1.00 0.00 C ATOM 427 OE1 GLU A 31 6.199 10.391 -10.064 1.00 0.00 O ATOM 428 OE2 GLU A 31 6.344 12.546 -10.470 1.00 0.00 O ATOM 0 H GLU A 31 2.713 10.066 -5.849 1.00 0.00 H new ATOM 0 HA GLU A 31 5.629 10.478 -5.954 1.00 0.00 H new ATOM 0 HB2 GLU A 31 4.609 10.094 -8.273 1.00 0.00 H new ATOM 0 HB3 GLU A 31 3.682 11.560 -8.021 1.00 0.00 H new ATOM 0 HG2 GLU A 31 5.547 12.940 -8.154 1.00 0.00 H new ATOM 0 HG3 GLU A 31 6.654 11.687 -7.628 1.00 0.00 H new ATOM 435 N LEU A 32 5.349 12.897 -5.243 1.00 0.00 N ATOM 436 CA LEU A 32 5.182 14.164 -4.540 1.00 0.00 C ATOM 437 C LEU A 32 5.933 15.285 -5.251 1.00 0.00 C ATOM 438 O LEU A 32 7.103 15.135 -5.605 1.00 0.00 O ATOM 439 CB LEU A 32 5.677 14.038 -3.098 1.00 0.00 C ATOM 440 CG LEU A 32 5.363 12.718 -2.393 1.00 0.00 C ATOM 441 CD1 LEU A 32 6.383 12.441 -1.300 1.00 0.00 C ATOM 442 CD2 LEU A 32 3.955 12.742 -1.817 1.00 0.00 C ATOM 0 H LEU A 32 6.311 12.685 -5.506 1.00 0.00 H new ATOM 0 HA LEU A 32 4.120 14.411 -4.534 1.00 0.00 H new ATOM 0 HB2 LEU A 32 6.757 14.182 -3.092 1.00 0.00 H new ATOM 0 HB3 LEU A 32 5.244 14.850 -2.514 1.00 0.00 H new ATOM 0 HG LEU A 32 5.420 11.914 -3.127 1.00 0.00 H new ATOM 0 HD11 LEU A 32 6.143 11.498 -0.809 1.00 0.00 H new ATOM 0 HD12 LEU A 32 7.379 12.379 -1.739 1.00 0.00 H new ATOM 0 HD13 LEU A 32 6.359 13.247 -0.567 1.00 0.00 H new ATOM 0 HD21 LEU A 32 3.749 11.794 -1.319 1.00 0.00 H new ATOM 0 HD22 LEU A 32 3.870 13.556 -1.097 1.00 0.00 H new ATOM 0 HD23 LEU A 32 3.235 12.893 -2.622 1.00 0.00 H new ATOM 454 N SER A 33 5.254 16.409 -5.455 1.00 0.00 N ATOM 455 CA SER A 33 5.856 17.555 -6.126 1.00 0.00 C ATOM 456 C SER A 33 7.128 17.997 -5.409 1.00 0.00 C ATOM 457 O SER A 33 7.953 18.717 -5.972 1.00 0.00 O ATOM 458 CB SER A 33 4.863 18.717 -6.188 1.00 0.00 C ATOM 459 OG SER A 33 5.484 19.894 -6.674 1.00 0.00 O ATOM 0 H SER A 33 4.286 16.551 -5.165 1.00 0.00 H new ATOM 0 HA SER A 33 6.116 17.255 -7.141 1.00 0.00 H new ATOM 0 HB2 SER A 33 4.027 18.450 -6.834 1.00 0.00 H new ATOM 0 HB3 SER A 33 4.453 18.902 -5.195 1.00 0.00 H new ATOM 0 HG SER A 33 4.828 20.621 -6.705 1.00 0.00 H new ATOM 465 N ARG A 34 7.279 17.561 -4.163 1.00 0.00 N ATOM 466 CA ARG A 34 8.450 17.912 -3.367 1.00 0.00 C ATOM 467 C ARG A 34 8.717 16.856 -2.298 1.00 0.00 C ATOM 468 O ARG A 34 7.788 16.316 -1.698 1.00 0.00 O ATOM 469 CB ARG A 34 8.254 19.279 -2.710 1.00 0.00 C ATOM 470 CG ARG A 34 9.362 19.651 -1.737 1.00 0.00 C ATOM 471 CD ARG A 34 8.982 20.861 -0.897 1.00 0.00 C ATOM 472 NE ARG A 34 10.115 21.372 -0.130 1.00 0.00 N ATOM 473 CZ ARG A 34 10.040 22.421 0.682 1.00 0.00 C ATOM 474 NH1 ARG A 34 8.892 23.067 0.831 1.00 0.00 N ATOM 475 NH2 ARG A 34 11.115 22.825 1.347 1.00 0.00 N ATOM 0 H ARG A 34 6.606 16.964 -3.682 1.00 0.00 H new ATOM 0 HA ARG A 34 9.312 17.956 -4.033 1.00 0.00 H new ATOM 0 HB2 ARG A 34 8.193 20.041 -3.487 1.00 0.00 H new ATOM 0 HB3 ARG A 34 7.301 19.286 -2.182 1.00 0.00 H new ATOM 0 HG2 ARG A 34 9.573 18.805 -1.083 1.00 0.00 H new ATOM 0 HG3 ARG A 34 10.277 19.863 -2.290 1.00 0.00 H new ATOM 0 HD2 ARG A 34 8.600 21.648 -1.547 1.00 0.00 H new ATOM 0 HD3 ARG A 34 8.175 20.591 -0.216 1.00 0.00 H new ATOM 0 HE ARG A 34 11.013 20.898 -0.223 1.00 0.00 H new ATOM 0 HH11 ARG A 34 8.064 22.759 0.322 1.00 0.00 H new ATOM 0 HH12 ARG A 34 8.837 23.872 1.455 1.00 0.00 H new ATOM 0 HH21 ARG A 34 12.000 22.330 1.235 1.00 0.00 H new ATOM 0 HH22 ARG A 34 11.056 23.630 1.970 1.00 0.00 H new ATOM 489 N ALA A 35 9.993 16.566 -2.067 1.00 0.00 N ATOM 490 CA ALA A 35 10.383 15.576 -1.071 1.00 0.00 C ATOM 491 C ALA A 35 10.418 16.187 0.326 1.00 0.00 C ATOM 492 O ALA A 35 10.226 17.390 0.492 1.00 0.00 O ATOM 493 CB ALA A 35 11.738 14.979 -1.422 1.00 0.00 C ATOM 0 H ALA A 35 10.774 17.003 -2.556 1.00 0.00 H new ATOM 0 HA ALA A 35 9.637 14.782 -1.073 1.00 0.00 H new ATOM 0 HB1 ALA A 35 12.017 14.241 -0.669 1.00 0.00 H new ATOM 0 HB2 ALA A 35 11.682 14.498 -2.398 1.00 0.00 H new ATOM 0 HB3 ALA A 35 12.488 15.770 -1.450 1.00 0.00 H new ATOM 534 N VAL A 39 3.672 11.187 4.663 1.00 0.00 N ATOM 535 CA VAL A 39 2.331 10.875 4.183 1.00 0.00 C ATOM 536 C VAL A 39 1.462 10.316 5.305 1.00 0.00 C ATOM 537 O VAL A 39 1.969 9.885 6.341 1.00 0.00 O ATOM 538 CB VAL A 39 2.371 9.860 3.025 1.00 0.00 C ATOM 539 CG1 VAL A 39 2.524 8.445 3.561 1.00 0.00 C ATOM 540 CG2 VAL A 39 1.121 9.982 2.167 1.00 0.00 C ATOM 0 HA VAL A 39 1.899 11.808 3.823 1.00 0.00 H new ATOM 0 HB VAL A 39 3.236 10.081 2.400 1.00 0.00 H new ATOM 0 HG11 VAL A 39 2.550 7.742 2.729 1.00 0.00 H new ATOM 0 HG12 VAL A 39 3.451 8.370 4.129 1.00 0.00 H new ATOM 0 HG13 VAL A 39 1.680 8.208 4.209 1.00 0.00 H new ATOM 0 HG21 VAL A 39 1.166 9.258 1.354 1.00 0.00 H new ATOM 0 HG22 VAL A 39 0.240 9.787 2.778 1.00 0.00 H new ATOM 0 HG23 VAL A 39 1.060 10.989 1.753 1.00 0.00 H new ATOM 550 N HIS A 40 0.150 10.326 5.090 1.00 0.00 N ATOM 551 CA HIS A 40 -0.790 9.819 6.083 1.00 0.00 C ATOM 552 C HIS A 40 -1.650 8.704 5.497 1.00 0.00 C ATOM 553 O HIS A 40 -2.659 8.964 4.841 1.00 0.00 O ATOM 554 CB HIS A 40 -1.682 10.950 6.596 1.00 0.00 C ATOM 555 CG HIS A 40 -2.187 10.729 7.989 1.00 0.00 C ATOM 556 ND1 HIS A 40 -2.677 11.746 8.782 1.00 0.00 N ATOM 557 CD2 HIS A 40 -2.279 9.600 8.729 1.00 0.00 C ATOM 558 CE1 HIS A 40 -3.046 11.251 9.950 1.00 0.00 C ATOM 559 NE2 HIS A 40 -2.815 9.951 9.943 1.00 0.00 N ATOM 0 H HIS A 40 -0.286 10.679 4.238 1.00 0.00 H new ATOM 0 HA HIS A 40 -0.216 9.412 6.916 1.00 0.00 H new ATOM 0 HB2 HIS A 40 -1.123 11.885 6.565 1.00 0.00 H new ATOM 0 HB3 HIS A 40 -2.532 11.065 5.924 1.00 0.00 H new ATOM 0 HD2 HIS A 40 -1.985 8.607 8.422 1.00 0.00 H new ATOM 0 HE1 HIS A 40 -3.465 11.814 10.771 1.00 0.00 H new ATOM 0 HE2 HIS A 40 -3.004 9.311 10.715 1.00 0.00 H new ATOM 568 N TRP A 41 -1.244 7.462 5.736 1.00 0.00 N ATOM 569 CA TRP A 41 -1.977 6.307 5.230 1.00 0.00 C ATOM 570 C TRP A 41 -3.195 6.013 6.099 1.00 0.00 C ATOM 571 O TRP A 41 -3.064 5.681 7.278 1.00 0.00 O ATOM 572 CB TRP A 41 -1.065 5.081 5.177 1.00 0.00 C ATOM 573 CG TRP A 41 0.073 5.228 4.212 1.00 0.00 C ATOM 574 CD1 TRP A 41 1.331 5.679 4.492 1.00 0.00 C ATOM 575 CD2 TRP A 41 0.054 4.927 2.813 1.00 0.00 C ATOM 576 NE1 TRP A 41 2.096 5.675 3.350 1.00 0.00 N ATOM 577 CE2 TRP A 41 1.336 5.217 2.307 1.00 0.00 C ATOM 578 CE3 TRP A 41 -0.920 4.437 1.939 1.00 0.00 C ATOM 579 CZ2 TRP A 41 1.666 5.035 0.966 1.00 0.00 C ATOM 580 CZ3 TRP A 41 -0.592 4.257 0.609 1.00 0.00 C ATOM 581 CH2 TRP A 41 0.692 4.555 0.133 1.00 0.00 C ATOM 0 H TRP A 41 -0.411 7.229 6.277 1.00 0.00 H new ATOM 0 HA TRP A 41 -2.320 6.539 4.222 1.00 0.00 H new ATOM 0 HB2 TRP A 41 -0.665 4.891 6.173 1.00 0.00 H new ATOM 0 HB3 TRP A 41 -1.657 4.209 4.900 1.00 0.00 H new ATOM 0 HD1 TRP A 41 1.674 5.993 5.467 1.00 0.00 H new ATOM 0 HE1 TRP A 41 3.072 5.966 3.289 1.00 0.00 H new ATOM 0 HE3 TRP A 41 -1.912 4.203 2.297 1.00 0.00 H new ATOM 0 HZ2 TRP A 41 2.655 5.264 0.597 1.00 0.00 H new ATOM 0 HZ3 TRP A 41 -1.338 3.880 -0.075 1.00 0.00 H new ATOM 0 HH2 TRP A 41 0.917 4.403 -0.912 1.00 0.00 H new ATOM 592 N LEU A 42 -4.380 6.135 5.511 1.00 0.00 N ATOM 593 CA LEU A 42 -5.622 5.882 6.232 1.00 0.00 C ATOM 594 C LEU A 42 -6.380 4.710 5.616 1.00 0.00 C ATOM 595 O LEU A 42 -6.748 4.743 4.441 1.00 0.00 O ATOM 596 CB LEU A 42 -6.503 7.133 6.227 1.00 0.00 C ATOM 597 CG LEU A 42 -5.867 8.403 6.793 1.00 0.00 C ATOM 598 CD1 LEU A 42 -6.438 9.636 6.110 1.00 0.00 C ATOM 599 CD2 LEU A 42 -6.076 8.480 8.298 1.00 0.00 C ATOM 0 H LEU A 42 -4.507 6.408 4.536 1.00 0.00 H new ATOM 0 HA LEU A 42 -5.370 5.627 7.261 1.00 0.00 H new ATOM 0 HB2 LEU A 42 -6.812 7.332 5.201 1.00 0.00 H new ATOM 0 HB3 LEU A 42 -7.407 6.919 6.796 1.00 0.00 H new ATOM 0 HG LEU A 42 -4.795 8.368 6.597 1.00 0.00 H new ATOM 0 HD11 LEU A 42 -5.974 10.530 6.526 1.00 0.00 H new ATOM 0 HD12 LEU A 42 -6.235 9.586 5.040 1.00 0.00 H new ATOM 0 HD13 LEU A 42 -7.515 9.677 6.274 1.00 0.00 H new ATOM 0 HD21 LEU A 42 -5.617 9.390 8.683 1.00 0.00 H new ATOM 0 HD22 LEU A 42 -7.144 8.492 8.517 1.00 0.00 H new ATOM 0 HD23 LEU A 42 -5.618 7.613 8.774 1.00 0.00 H new ATOM 611 N LYS A 43 -6.613 3.676 6.417 1.00 0.00 N ATOM 612 CA LYS A 43 -7.331 2.495 5.953 1.00 0.00 C ATOM 613 C LYS A 43 -8.771 2.501 6.455 1.00 0.00 C ATOM 614 O LYS A 43 -9.058 2.019 7.551 1.00 0.00 O ATOM 615 CB LYS A 43 -6.620 1.224 6.424 1.00 0.00 C ATOM 616 CG LYS A 43 -7.341 -0.056 6.035 1.00 0.00 C ATOM 617 CD LYS A 43 -6.432 -1.267 6.158 1.00 0.00 C ATOM 618 CE LYS A 43 -6.825 -2.360 5.176 1.00 0.00 C ATOM 619 NZ LYS A 43 -6.604 -1.942 3.763 1.00 0.00 N ATOM 0 H LYS A 43 -6.315 3.632 7.391 1.00 0.00 H new ATOM 0 HA LYS A 43 -7.346 2.514 4.863 1.00 0.00 H new ATOM 0 HB2 LYS A 43 -5.613 1.205 6.007 1.00 0.00 H new ATOM 0 HB3 LYS A 43 -6.515 1.257 7.508 1.00 0.00 H new ATOM 0 HG2 LYS A 43 -8.215 -0.190 6.672 1.00 0.00 H new ATOM 0 HG3 LYS A 43 -7.703 0.026 5.010 1.00 0.00 H new ATOM 0 HD2 LYS A 43 -5.399 -0.968 5.978 1.00 0.00 H new ATOM 0 HD3 LYS A 43 -6.478 -1.656 7.175 1.00 0.00 H new ATOM 0 HE2 LYS A 43 -6.246 -3.260 5.383 1.00 0.00 H new ATOM 0 HE3 LYS A 43 -7.875 -2.616 5.319 1.00 0.00 H new ATOM 0 HZ1 LYS A 43 -6.754 -2.756 3.133 1.00 0.00 H new ATOM 0 HZ2 LYS A 43 -7.273 -1.185 3.516 1.00 0.00 H new ATOM 0 HZ3 LYS A 43 -5.631 -1.593 3.652 1.00 0.00 H new ATOM 633 N ASP A 44 -9.672 3.047 5.647 1.00 0.00 N ATOM 634 CA ASP A 44 -11.083 3.113 6.008 1.00 0.00 C ATOM 635 C ASP A 44 -11.313 4.137 7.116 1.00 0.00 C ATOM 636 O ASP A 44 -11.962 3.844 8.120 1.00 0.00 O ATOM 637 CB ASP A 44 -11.582 1.738 6.455 1.00 0.00 C ATOM 638 CG ASP A 44 -13.054 1.532 6.158 1.00 0.00 C ATOM 639 OD1 ASP A 44 -13.589 2.245 5.284 1.00 0.00 O ATOM 640 OD2 ASP A 44 -13.673 0.657 6.801 1.00 0.00 O ATOM 0 H ASP A 44 -9.450 3.451 4.737 1.00 0.00 H new ATOM 0 HA ASP A 44 -11.644 3.425 5.127 1.00 0.00 H new ATOM 0 HB2 ASP A 44 -11.001 0.963 5.954 1.00 0.00 H new ATOM 0 HB3 ASP A 44 -11.411 1.623 7.525 1.00 0.00 H new ATOM 645 N ARG A 45 -10.776 5.337 6.926 1.00 0.00 N ATOM 646 CA ARG A 45 -10.921 6.404 7.910 1.00 0.00 C ATOM 647 C ARG A 45 -10.272 6.013 9.234 1.00 0.00 C ATOM 648 O ARG A 45 -10.796 6.312 10.307 1.00 0.00 O ATOM 649 CB ARG A 45 -12.400 6.726 8.130 1.00 0.00 C ATOM 650 CG ARG A 45 -13.089 7.296 6.900 1.00 0.00 C ATOM 651 CD ARG A 45 -14.199 8.263 7.282 1.00 0.00 C ATOM 652 NE ARG A 45 -15.488 7.589 7.418 1.00 0.00 N ATOM 653 CZ ARG A 45 -16.633 8.229 7.629 1.00 0.00 C ATOM 654 NH1 ARG A 45 -16.649 9.551 7.726 1.00 0.00 N ATOM 655 NH2 ARG A 45 -17.765 7.545 7.742 1.00 0.00 N ATOM 0 H ARG A 45 -10.236 5.596 6.100 1.00 0.00 H new ATOM 0 HA ARG A 45 -10.417 7.291 7.525 1.00 0.00 H new ATOM 0 HB2 ARG A 45 -12.919 5.818 8.439 1.00 0.00 H new ATOM 0 HB3 ARG A 45 -12.490 7.439 8.950 1.00 0.00 H new ATOM 0 HG2 ARG A 45 -12.357 7.809 6.276 1.00 0.00 H new ATOM 0 HG3 ARG A 45 -13.502 6.483 6.303 1.00 0.00 H new ATOM 0 HD2 ARG A 45 -13.945 8.754 8.222 1.00 0.00 H new ATOM 0 HD3 ARG A 45 -14.276 9.044 6.525 1.00 0.00 H new ATOM 0 HE ARG A 45 -15.510 6.572 7.347 1.00 0.00 H new ATOM 0 HH11 ARG A 45 -15.781 10.079 7.639 1.00 0.00 H new ATOM 0 HH12 ARG A 45 -17.529 10.040 7.888 1.00 0.00 H new ATOM 0 HH21 ARG A 45 -17.756 6.528 7.667 1.00 0.00 H new ATOM 0 HH22 ARG A 45 -18.644 8.037 7.904 1.00 0.00 H new ATOM 669 N LYS A 46 -9.128 5.342 9.151 1.00 0.00 N ATOM 670 CA LYS A 46 -8.406 4.910 10.342 1.00 0.00 C ATOM 671 C LYS A 46 -6.899 4.993 10.124 1.00 0.00 C ATOM 672 O LYS A 46 -6.354 4.344 9.232 1.00 0.00 O ATOM 673 CB LYS A 46 -8.800 3.478 10.711 1.00 0.00 C ATOM 674 CG LYS A 46 -10.272 3.321 11.054 1.00 0.00 C ATOM 675 CD LYS A 46 -10.673 1.858 11.135 1.00 0.00 C ATOM 676 CE LYS A 46 -10.232 1.231 12.449 1.00 0.00 C ATOM 677 NZ LYS A 46 -8.767 0.962 12.470 1.00 0.00 N ATOM 0 H LYS A 46 -8.681 5.085 8.271 1.00 0.00 H new ATOM 0 HA LYS A 46 -8.675 5.577 11.161 1.00 0.00 H new ATOM 0 HB2 LYS A 46 -8.557 2.817 9.879 1.00 0.00 H new ATOM 0 HB3 LYS A 46 -8.201 3.153 11.561 1.00 0.00 H new ATOM 0 HG2 LYS A 46 -10.479 3.809 12.007 1.00 0.00 H new ATOM 0 HG3 LYS A 46 -10.878 3.824 10.300 1.00 0.00 H new ATOM 0 HD2 LYS A 46 -11.755 1.770 11.034 1.00 0.00 H new ATOM 0 HD3 LYS A 46 -10.229 1.311 10.303 1.00 0.00 H new ATOM 0 HE2 LYS A 46 -10.491 1.895 13.274 1.00 0.00 H new ATOM 0 HE3 LYS A 46 -10.775 0.299 12.607 1.00 0.00 H new ATOM 0 HZ1 LYS A 46 -8.593 0.017 12.868 1.00 0.00 H new ATOM 0 HZ2 LYS A 46 -8.392 1.004 11.501 1.00 0.00 H new ATOM 0 HZ3 LYS A 46 -8.291 1.677 13.056 1.00 0.00 H new ATOM 691 N ALA A 47 -6.230 5.796 10.946 1.00 0.00 N ATOM 692 CA ALA A 47 -4.785 5.960 10.845 1.00 0.00 C ATOM 693 C ALA A 47 -4.075 4.612 10.889 1.00 0.00 C ATOM 694 O ALA A 47 -4.281 3.821 11.810 1.00 0.00 O ATOM 695 CB ALA A 47 -4.278 6.863 11.960 1.00 0.00 C ATOM 0 H ALA A 47 -6.666 6.343 11.689 1.00 0.00 H new ATOM 0 HA ALA A 47 -4.563 6.426 9.885 1.00 0.00 H new ATOM 0 HB1 ALA A 47 -3.197 6.977 11.873 1.00 0.00 H new ATOM 0 HB2 ALA A 47 -4.754 7.841 11.881 1.00 0.00 H new ATOM 0 HB3 ALA A 47 -4.519 6.419 12.926 1.00 0.00 H new ATOM 701 N ILE A 48 -3.238 4.357 9.889 1.00 0.00 N ATOM 702 CA ILE A 48 -2.497 3.104 9.814 1.00 0.00 C ATOM 703 C ILE A 48 -1.183 3.195 10.583 1.00 0.00 C ATOM 704 O ILE A 48 -0.535 4.242 10.602 1.00 0.00 O ATOM 705 CB ILE A 48 -2.198 2.712 8.355 1.00 0.00 C ATOM 706 CG1 ILE A 48 -3.493 2.668 7.541 1.00 0.00 C ATOM 707 CG2 ILE A 48 -1.487 1.368 8.302 1.00 0.00 C ATOM 708 CD1 ILE A 48 -3.276 2.346 6.079 1.00 0.00 C ATOM 0 H ILE A 48 -3.056 5.001 9.120 1.00 0.00 H new ATOM 0 HA ILE A 48 -3.128 2.338 10.265 1.00 0.00 H new ATOM 0 HB ILE A 48 -1.542 3.465 7.919 1.00 0.00 H new ATOM 0 HG12 ILE A 48 -4.160 1.922 7.974 1.00 0.00 H new ATOM 0 HG13 ILE A 48 -3.997 3.631 7.622 1.00 0.00 H new ATOM 0 HG21 ILE A 48 -1.283 1.105 7.264 1.00 0.00 H new ATOM 0 HG22 ILE A 48 -0.548 1.431 8.852 1.00 0.00 H new ATOM 0 HG23 ILE A 48 -2.120 0.603 8.752 1.00 0.00 H new ATOM 0 HD11 ILE A 48 -4.236 2.331 5.563 1.00 0.00 H new ATOM 0 HD12 ILE A 48 -2.635 3.105 5.631 1.00 0.00 H new ATOM 0 HD13 ILE A 48 -2.801 1.369 5.988 1.00 0.00 H new ATOM 720 N ARG A 49 -0.796 2.092 11.215 1.00 0.00 N ATOM 721 CA ARG A 49 0.441 2.048 11.986 1.00 0.00 C ATOM 722 C ARG A 49 1.475 1.156 11.304 1.00 0.00 C ATOM 723 O ARG A 49 1.166 0.043 10.877 1.00 0.00 O ATOM 724 CB ARG A 49 0.167 1.538 13.402 1.00 0.00 C ATOM 725 CG ARG A 49 -0.023 0.032 13.481 1.00 0.00 C ATOM 726 CD ARG A 49 -0.815 -0.365 14.716 1.00 0.00 C ATOM 727 NE ARG A 49 0.051 -0.618 15.864 1.00 0.00 N ATOM 728 CZ ARG A 49 0.493 0.337 16.675 1.00 0.00 C ATOM 729 NH1 ARG A 49 0.151 1.601 16.465 1.00 0.00 N ATOM 730 NH2 ARG A 49 1.279 0.028 17.699 1.00 0.00 N ATOM 0 H ARG A 49 -1.321 1.217 11.209 1.00 0.00 H new ATOM 0 HA ARG A 49 0.840 3.061 12.043 1.00 0.00 H new ATOM 0 HB2 ARG A 49 0.996 1.826 14.049 1.00 0.00 H new ATOM 0 HB3 ARG A 49 -0.726 2.029 13.790 1.00 0.00 H new ATOM 0 HG2 ARG A 49 -0.540 -0.318 12.588 1.00 0.00 H new ATOM 0 HG3 ARG A 49 0.950 -0.458 13.498 1.00 0.00 H new ATOM 0 HD2 ARG A 49 -1.522 0.427 14.963 1.00 0.00 H new ATOM 0 HD3 ARG A 49 -1.400 -1.259 14.499 1.00 0.00 H new ATOM 0 HE ARG A 49 0.332 -1.580 16.054 1.00 0.00 H new ATOM 0 HH11 ARG A 49 -0.453 1.842 15.679 1.00 0.00 H new ATOM 0 HH12 ARG A 49 0.492 2.332 17.089 1.00 0.00 H new ATOM 0 HH21 ARG A 49 1.544 -0.943 17.864 1.00 0.00 H new ATOM 0 HH22 ARG A 49 1.618 0.762 18.321 1.00 0.00 H new ATOM 744 N LYS A 50 2.703 1.653 11.203 1.00 0.00 N ATOM 745 CA LYS A 50 3.783 0.903 10.574 1.00 0.00 C ATOM 746 C LYS A 50 4.026 -0.415 11.302 1.00 0.00 C ATOM 747 O LYS A 50 4.041 -0.463 12.532 1.00 0.00 O ATOM 748 CB LYS A 50 5.068 1.734 10.560 1.00 0.00 C ATOM 749 CG LYS A 50 6.184 1.115 9.737 1.00 0.00 C ATOM 750 CD LYS A 50 7.528 1.749 10.052 1.00 0.00 C ATOM 751 CE LYS A 50 7.739 3.031 9.262 1.00 0.00 C ATOM 752 NZ LYS A 50 8.780 3.899 9.880 1.00 0.00 N ATOM 0 H LYS A 50 2.975 2.573 11.549 1.00 0.00 H new ATOM 0 HA LYS A 50 3.489 0.682 9.548 1.00 0.00 H new ATOM 0 HB2 LYS A 50 4.845 2.726 10.167 1.00 0.00 H new ATOM 0 HB3 LYS A 50 5.415 1.868 11.585 1.00 0.00 H new ATOM 0 HG2 LYS A 50 6.231 0.044 9.934 1.00 0.00 H new ATOM 0 HG3 LYS A 50 5.964 1.235 8.676 1.00 0.00 H new ATOM 0 HD2 LYS A 50 7.589 1.964 11.119 1.00 0.00 H new ATOM 0 HD3 LYS A 50 8.327 1.044 9.823 1.00 0.00 H new ATOM 0 HE2 LYS A 50 8.031 2.785 8.241 1.00 0.00 H new ATOM 0 HE3 LYS A 50 6.799 3.579 9.201 1.00 0.00 H new ATOM 0 HZ1 LYS A 50 8.894 4.763 9.312 1.00 0.00 H new ATOM 0 HZ2 LYS A 50 8.490 4.155 10.845 1.00 0.00 H new ATOM 0 HZ3 LYS A 50 9.684 3.386 9.915 1.00 0.00 H new ATOM 766 N SER A 51 4.218 -1.483 10.534 1.00 0.00 N ATOM 767 CA SER A 51 4.458 -2.803 11.107 1.00 0.00 C ATOM 768 C SER A 51 4.838 -3.805 10.021 1.00 0.00 C ATOM 769 O SER A 51 4.594 -3.575 8.837 1.00 0.00 O ATOM 770 CB SER A 51 3.216 -3.291 11.855 1.00 0.00 C ATOM 771 OG SER A 51 3.569 -4.177 12.904 1.00 0.00 O ATOM 0 H SER A 51 4.212 -1.460 9.514 1.00 0.00 H new ATOM 0 HA SER A 51 5.288 -2.722 11.809 1.00 0.00 H new ATOM 0 HB2 SER A 51 2.674 -2.438 12.262 1.00 0.00 H new ATOM 0 HB3 SER A 51 2.543 -3.794 11.160 1.00 0.00 H new ATOM 0 HG SER A 51 2.759 -4.474 13.368 1.00 0.00 H new ATOM 777 N GLN A 52 5.436 -4.917 10.434 1.00 0.00 N ATOM 778 CA GLN A 52 5.851 -5.955 9.497 1.00 0.00 C ATOM 779 C GLN A 52 4.824 -6.123 8.382 1.00 0.00 C ATOM 780 O GLN A 52 5.172 -6.453 7.248 1.00 0.00 O ATOM 781 CB GLN A 52 6.048 -7.284 10.229 1.00 0.00 C ATOM 782 CG GLN A 52 6.963 -8.252 9.497 1.00 0.00 C ATOM 783 CD GLN A 52 7.069 -9.595 10.192 1.00 0.00 C ATOM 784 OE1 GLN A 52 7.813 -9.749 11.161 1.00 0.00 O ATOM 785 NE2 GLN A 52 6.321 -10.576 9.701 1.00 0.00 N ATOM 0 H GLN A 52 5.644 -5.123 11.411 1.00 0.00 H new ATOM 0 HA GLN A 52 6.798 -5.650 9.052 1.00 0.00 H new ATOM 0 HB2 GLN A 52 6.459 -7.086 11.219 1.00 0.00 H new ATOM 0 HB3 GLN A 52 5.076 -7.756 10.376 1.00 0.00 H new ATOM 0 HG2 GLN A 52 6.592 -8.400 8.483 1.00 0.00 H new ATOM 0 HG3 GLN A 52 7.957 -7.812 9.411 1.00 0.00 H new ATOM 0 HE21 GLN A 52 5.718 -10.404 8.896 1.00 0.00 H new ATOM 0 HE22 GLN A 52 6.349 -11.502 10.129 1.00 0.00 H new ATOM 794 N LYS A 53 3.558 -5.893 8.711 1.00 0.00 N ATOM 795 CA LYS A 53 2.479 -6.018 7.738 1.00 0.00 C ATOM 796 C LYS A 53 2.435 -4.803 6.817 1.00 0.00 C ATOM 797 O LYS A 53 2.468 -4.938 5.593 1.00 0.00 O ATOM 798 CB LYS A 53 1.136 -6.179 8.453 1.00 0.00 C ATOM 799 CG LYS A 53 -0.063 -5.864 7.574 1.00 0.00 C ATOM 800 CD LYS A 53 -0.270 -6.930 6.512 1.00 0.00 C ATOM 801 CE LYS A 53 -1.158 -8.057 7.019 1.00 0.00 C ATOM 802 NZ LYS A 53 -2.597 -7.674 7.015 1.00 0.00 N ATOM 0 H LYS A 53 3.253 -5.619 9.645 1.00 0.00 H new ATOM 0 HA LYS A 53 2.669 -6.904 7.133 1.00 0.00 H new ATOM 0 HB2 LYS A 53 1.049 -7.202 8.819 1.00 0.00 H new ATOM 0 HB3 LYS A 53 1.118 -5.526 9.326 1.00 0.00 H new ATOM 0 HG2 LYS A 53 -0.958 -5.786 8.192 1.00 0.00 H new ATOM 0 HG3 LYS A 53 0.080 -4.895 7.096 1.00 0.00 H new ATOM 0 HD2 LYS A 53 -0.720 -6.481 5.627 1.00 0.00 H new ATOM 0 HD3 LYS A 53 0.695 -7.335 6.208 1.00 0.00 H new ATOM 0 HE2 LYS A 53 -1.015 -8.940 6.396 1.00 0.00 H new ATOM 0 HE3 LYS A 53 -0.857 -8.329 8.031 1.00 0.00 H new ATOM 0 HZ1 LYS A 53 -3.175 -8.495 7.286 1.00 0.00 H new ATOM 0 HZ2 LYS A 53 -2.753 -6.902 7.694 1.00 0.00 H new ATOM 0 HZ3 LYS A 53 -2.869 -7.358 6.062 1.00 0.00 H new ATOM 816 N TYR A 54 2.361 -3.618 7.412 1.00 0.00 N ATOM 817 CA TYR A 54 2.311 -2.379 6.644 1.00 0.00 C ATOM 818 C TYR A 54 3.646 -1.645 6.708 1.00 0.00 C ATOM 819 O TYR A 54 3.842 -0.760 7.541 1.00 0.00 O ATOM 820 CB TYR A 54 1.194 -1.475 7.167 1.00 0.00 C ATOM 821 CG TYR A 54 -0.185 -2.083 7.045 1.00 0.00 C ATOM 822 CD1 TYR A 54 -0.601 -2.679 5.861 1.00 0.00 C ATOM 823 CD2 TYR A 54 -1.072 -2.063 8.115 1.00 0.00 C ATOM 824 CE1 TYR A 54 -1.860 -3.236 5.745 1.00 0.00 C ATOM 825 CE2 TYR A 54 -2.333 -2.618 8.008 1.00 0.00 C ATOM 826 CZ TYR A 54 -2.722 -3.203 6.821 1.00 0.00 C ATOM 827 OH TYR A 54 -3.977 -3.757 6.710 1.00 0.00 O ATOM 0 H TYR A 54 2.334 -3.489 8.423 1.00 0.00 H new ATOM 0 HA TYR A 54 2.106 -2.634 5.604 1.00 0.00 H new ATOM 0 HB2 TYR A 54 1.387 -1.241 8.214 1.00 0.00 H new ATOM 0 HB3 TYR A 54 1.216 -0.532 6.621 1.00 0.00 H new ATOM 0 HD1 TYR A 54 0.072 -2.707 5.016 1.00 0.00 H new ATOM 0 HD2 TYR A 54 -0.771 -1.606 9.046 1.00 0.00 H new ATOM 0 HE1 TYR A 54 -2.167 -3.695 4.817 1.00 0.00 H new ATOM 0 HE2 TYR A 54 -3.010 -2.594 8.849 1.00 0.00 H new ATOM 0 HH TYR A 54 -4.457 -3.651 7.558 1.00 0.00 H new ATOM 837 N ASP A 55 4.562 -2.018 5.820 1.00 0.00 N ATOM 838 CA ASP A 55 5.879 -1.395 5.773 1.00 0.00 C ATOM 839 C ASP A 55 5.808 -0.024 5.107 1.00 0.00 C ATOM 840 O ASP A 55 5.506 0.086 3.919 1.00 0.00 O ATOM 841 CB ASP A 55 6.864 -2.291 5.019 1.00 0.00 C ATOM 842 CG ASP A 55 6.912 -3.698 5.581 1.00 0.00 C ATOM 843 OD1 ASP A 55 5.905 -4.424 5.449 1.00 0.00 O ATOM 844 OD2 ASP A 55 7.957 -4.074 6.154 1.00 0.00 O ATOM 0 H ASP A 55 4.416 -2.749 5.123 1.00 0.00 H new ATOM 0 HA ASP A 55 6.229 -1.264 6.797 1.00 0.00 H new ATOM 0 HB2 ASP A 55 6.581 -2.332 3.967 1.00 0.00 H new ATOM 0 HB3 ASP A 55 7.860 -1.850 5.064 1.00 0.00 H new ATOM 849 N VAL A 56 6.089 1.019 5.881 1.00 0.00 N ATOM 850 CA VAL A 56 6.057 2.383 5.367 1.00 0.00 C ATOM 851 C VAL A 56 7.426 2.806 4.846 1.00 0.00 C ATOM 852 O VAL A 56 8.373 2.967 5.616 1.00 0.00 O ATOM 853 CB VAL A 56 5.601 3.380 6.449 1.00 0.00 C ATOM 854 CG1 VAL A 56 5.546 4.792 5.885 1.00 0.00 C ATOM 855 CG2 VAL A 56 4.250 2.971 7.015 1.00 0.00 C ATOM 0 H VAL A 56 6.341 0.946 6.867 1.00 0.00 H new ATOM 0 HA VAL A 56 5.339 2.395 4.547 1.00 0.00 H new ATOM 0 HB VAL A 56 6.329 3.366 7.261 1.00 0.00 H new ATOM 0 HG11 VAL A 56 5.222 5.482 6.664 1.00 0.00 H new ATOM 0 HG12 VAL A 56 6.536 5.082 5.532 1.00 0.00 H new ATOM 0 HG13 VAL A 56 4.841 4.825 5.055 1.00 0.00 H new ATOM 0 HG21 VAL A 56 3.943 3.687 7.778 1.00 0.00 H new ATOM 0 HG22 VAL A 56 3.510 2.955 6.215 1.00 0.00 H new ATOM 0 HG23 VAL A 56 4.327 1.978 7.459 1.00 0.00 H new ATOM 865 N VAL A 57 7.523 2.986 3.532 1.00 0.00 N ATOM 866 CA VAL A 57 8.776 3.393 2.907 1.00 0.00 C ATOM 867 C VAL A 57 8.575 4.613 2.016 1.00 0.00 C ATOM 868 O VAL A 57 7.466 4.879 1.551 1.00 0.00 O ATOM 869 CB VAL A 57 9.380 2.252 2.067 1.00 0.00 C ATOM 870 CG1 VAL A 57 8.283 1.350 1.524 1.00 0.00 C ATOM 871 CG2 VAL A 57 10.228 2.814 0.937 1.00 0.00 C ATOM 0 H VAL A 57 6.749 2.856 2.880 1.00 0.00 H new ATOM 0 HA VAL A 57 9.465 3.645 3.713 1.00 0.00 H new ATOM 0 HB VAL A 57 10.024 1.653 2.710 1.00 0.00 H new ATOM 0 HG11 VAL A 57 8.729 0.550 0.933 1.00 0.00 H new ATOM 0 HG12 VAL A 57 7.722 0.919 2.354 1.00 0.00 H new ATOM 0 HG13 VAL A 57 7.610 1.933 0.895 1.00 0.00 H new ATOM 0 HG21 VAL A 57 10.647 1.994 0.354 1.00 0.00 H new ATOM 0 HG22 VAL A 57 9.608 3.438 0.293 1.00 0.00 H new ATOM 0 HG23 VAL A 57 11.037 3.414 1.353 1.00 0.00 H new ATOM 914 N THR A 61 10.849 11.499 -3.350 1.00 0.00 N ATOM 915 CA THR A 61 9.488 11.936 -3.636 1.00 0.00 C ATOM 916 C THR A 61 8.624 10.770 -4.104 1.00 0.00 C ATOM 917 O THR A 61 7.827 10.910 -5.031 1.00 0.00 O ATOM 918 CB THR A 61 9.467 13.040 -4.711 1.00 0.00 C ATOM 919 OG1 THR A 61 10.023 12.544 -5.933 1.00 0.00 O ATOM 920 CG2 THR A 61 10.250 14.260 -4.249 1.00 0.00 C ATOM 0 HA THR A 61 9.082 12.336 -2.707 1.00 0.00 H new ATOM 0 HB THR A 61 8.431 13.335 -4.878 1.00 0.00 H new ATOM 0 HG1 THR A 61 10.668 11.834 -5.734 1.00 0.00 H new ATOM 0 HG21 THR A 61 10.221 15.026 -5.024 1.00 0.00 H new ATOM 0 HG22 THR A 61 9.806 14.653 -3.334 1.00 0.00 H new ATOM 0 HG23 THR A 61 11.285 13.977 -4.057 1.00 0.00 H new ATOM 928 N MET A 62 8.787 9.621 -3.456 1.00 0.00 N ATOM 929 CA MET A 62 8.020 8.432 -3.806 1.00 0.00 C ATOM 930 C MET A 62 7.672 7.624 -2.560 1.00 0.00 C ATOM 931 O MET A 62 8.527 6.947 -1.989 1.00 0.00 O ATOM 932 CB MET A 62 8.805 7.562 -4.789 1.00 0.00 C ATOM 933 CG MET A 62 8.075 6.293 -5.196 1.00 0.00 C ATOM 934 SD MET A 62 9.200 4.941 -5.593 1.00 0.00 S ATOM 935 CE MET A 62 9.677 4.403 -3.953 1.00 0.00 C ATOM 0 H MET A 62 9.443 9.489 -2.686 1.00 0.00 H new ATOM 0 HA MET A 62 7.093 8.755 -4.279 1.00 0.00 H new ATOM 0 HB2 MET A 62 9.026 8.146 -5.682 1.00 0.00 H new ATOM 0 HB3 MET A 62 9.761 7.293 -4.340 1.00 0.00 H new ATOM 0 HG2 MET A 62 7.413 5.984 -4.387 1.00 0.00 H new ATOM 0 HG3 MET A 62 7.445 6.502 -6.061 1.00 0.00 H new ATOM 0 HE1 MET A 62 10.288 3.504 -4.029 1.00 0.00 H new ATOM 0 HE2 MET A 62 10.250 5.191 -3.464 1.00 0.00 H new ATOM 0 HE3 MET A 62 8.784 4.186 -3.367 1.00 0.00 H new ATOM 945 N ALA A 63 6.413 7.700 -2.143 1.00 0.00 N ATOM 946 CA ALA A 63 5.953 6.974 -0.965 1.00 0.00 C ATOM 947 C ALA A 63 5.346 5.629 -1.352 1.00 0.00 C ATOM 948 O ALA A 63 4.560 5.541 -2.295 1.00 0.00 O ATOM 949 CB ALA A 63 4.942 7.808 -0.192 1.00 0.00 C ATOM 0 H ALA A 63 5.693 8.257 -2.603 1.00 0.00 H new ATOM 0 HA ALA A 63 6.815 6.784 -0.326 1.00 0.00 H new ATOM 0 HB1 ALA A 63 4.607 7.253 0.685 1.00 0.00 H new ATOM 0 HB2 ALA A 63 5.407 8.742 0.125 1.00 0.00 H new ATOM 0 HB3 ALA A 63 4.087 8.027 -0.831 1.00 0.00 H new ATOM 955 N MET A 64 5.716 4.585 -0.618 1.00 0.00 N ATOM 956 CA MET A 64 5.207 3.245 -0.884 1.00 0.00 C ATOM 957 C MET A 64 4.709 2.587 0.399 1.00 0.00 C ATOM 958 O MET A 64 5.207 2.873 1.489 1.00 0.00 O ATOM 959 CB MET A 64 6.295 2.381 -1.525 1.00 0.00 C ATOM 960 CG MET A 64 5.774 1.070 -2.091 1.00 0.00 C ATOM 961 SD MET A 64 6.925 0.309 -3.253 1.00 0.00 S ATOM 962 CE MET A 64 8.358 0.075 -2.205 1.00 0.00 C ATOM 0 H MET A 64 6.366 4.641 0.166 1.00 0.00 H new ATOM 0 HA MET A 64 4.369 3.333 -1.575 1.00 0.00 H new ATOM 0 HB2 MET A 64 6.774 2.947 -2.324 1.00 0.00 H new ATOM 0 HB3 MET A 64 7.063 2.167 -0.781 1.00 0.00 H new ATOM 0 HG2 MET A 64 5.579 0.377 -1.272 1.00 0.00 H new ATOM 0 HG3 MET A 64 4.822 1.248 -2.592 1.00 0.00 H new ATOM 0 HE1 MET A 64 9.098 -0.528 -2.730 1.00 0.00 H new ATOM 0 HE2 MET A 64 8.790 1.045 -1.957 1.00 0.00 H new ATOM 0 HE3 MET A 64 8.059 -0.434 -1.288 1.00 0.00 H new ATOM 972 N LEU A 65 3.724 1.706 0.263 1.00 0.00 N ATOM 973 CA LEU A 65 3.158 1.008 1.412 1.00 0.00 C ATOM 974 C LEU A 65 2.994 -0.480 1.118 1.00 0.00 C ATOM 975 O LEU A 65 2.066 -0.887 0.420 1.00 0.00 O ATOM 976 CB LEU A 65 1.806 1.617 1.789 1.00 0.00 C ATOM 977 CG LEU A 65 1.058 0.932 2.933 1.00 0.00 C ATOM 978 CD1 LEU A 65 1.764 1.181 4.257 1.00 0.00 C ATOM 979 CD2 LEU A 65 -0.383 1.420 2.995 1.00 0.00 C ATOM 0 H LEU A 65 3.301 1.458 -0.631 1.00 0.00 H new ATOM 0 HA LEU A 65 3.846 1.121 2.250 1.00 0.00 H new ATOM 0 HB2 LEU A 65 1.963 2.662 2.058 1.00 0.00 H new ATOM 0 HB3 LEU A 65 1.167 1.608 0.906 1.00 0.00 H new ATOM 0 HG LEU A 65 1.050 -0.142 2.745 1.00 0.00 H new ATOM 0 HD11 LEU A 65 1.217 0.686 5.060 1.00 0.00 H new ATOM 0 HD12 LEU A 65 2.778 0.783 4.209 1.00 0.00 H new ATOM 0 HD13 LEU A 65 1.804 2.253 4.452 1.00 0.00 H new ATOM 0 HD21 LEU A 65 -0.901 0.922 3.815 1.00 0.00 H new ATOM 0 HD22 LEU A 65 -0.395 2.498 3.159 1.00 0.00 H new ATOM 0 HD23 LEU A 65 -0.886 1.190 2.056 1.00 0.00 H new ATOM 991 N VAL A 66 3.901 -1.288 1.658 1.00 0.00 N ATOM 992 CA VAL A 66 3.856 -2.731 1.457 1.00 0.00 C ATOM 993 C VAL A 66 2.805 -3.378 2.353 1.00 0.00 C ATOM 994 O VAL A 66 2.622 -2.975 3.502 1.00 0.00 O ATOM 995 CB VAL A 66 5.224 -3.380 1.739 1.00 0.00 C ATOM 996 CG1 VAL A 66 5.275 -4.788 1.165 1.00 0.00 C ATOM 997 CG2 VAL A 66 6.346 -2.524 1.172 1.00 0.00 C ATOM 0 H VAL A 66 4.676 -0.967 2.238 1.00 0.00 H new ATOM 0 HA VAL A 66 3.592 -2.897 0.413 1.00 0.00 H new ATOM 0 HB VAL A 66 5.359 -3.448 2.818 1.00 0.00 H new ATOM 0 HG11 VAL A 66 6.249 -5.231 1.374 1.00 0.00 H new ATOM 0 HG12 VAL A 66 4.494 -5.396 1.622 1.00 0.00 H new ATOM 0 HG13 VAL A 66 5.118 -4.747 0.087 1.00 0.00 H new ATOM 0 HG21 VAL A 66 7.306 -2.997 1.380 1.00 0.00 H new ATOM 0 HG22 VAL A 66 6.218 -2.423 0.094 1.00 0.00 H new ATOM 0 HG23 VAL A 66 6.320 -1.537 1.635 1.00 0.00 H new ATOM 1007 N ILE A 67 2.118 -4.382 1.819 1.00 0.00 N ATOM 1008 CA ILE A 67 1.086 -5.086 2.571 1.00 0.00 C ATOM 1009 C ILE A 67 1.350 -6.588 2.593 1.00 0.00 C ATOM 1010 O ILE A 67 0.679 -7.356 1.904 1.00 0.00 O ATOM 1011 CB ILE A 67 -0.313 -4.831 1.981 1.00 0.00 C ATOM 1012 CG1 ILE A 67 -0.628 -3.334 1.988 1.00 0.00 C ATOM 1013 CG2 ILE A 67 -1.366 -5.603 2.761 1.00 0.00 C ATOM 1014 CD1 ILE A 67 -1.549 -2.904 0.868 1.00 0.00 C ATOM 0 H ILE A 67 2.257 -4.726 0.869 1.00 0.00 H new ATOM 0 HA ILE A 67 1.118 -4.699 3.589 1.00 0.00 H new ATOM 0 HB ILE A 67 -0.325 -5.181 0.949 1.00 0.00 H new ATOM 0 HG12 ILE A 67 -1.084 -3.072 2.943 1.00 0.00 H new ATOM 0 HG13 ILE A 67 0.305 -2.775 1.915 1.00 0.00 H new ATOM 0 HG21 ILE A 67 -2.350 -5.412 2.332 1.00 0.00 H new ATOM 0 HG22 ILE A 67 -1.148 -6.670 2.709 1.00 0.00 H new ATOM 0 HG23 ILE A 67 -1.356 -5.281 3.802 1.00 0.00 H new ATOM 0 HD11 ILE A 67 -1.728 -1.831 0.936 1.00 0.00 H new ATOM 0 HD12 ILE A 67 -1.087 -3.135 -0.092 1.00 0.00 H new ATOM 0 HD13 ILE A 67 -2.497 -3.436 0.952 1.00 0.00 H new ATOM 1026 N ARG A 68 2.331 -6.999 3.390 1.00 0.00 N ATOM 1027 CA ARG A 68 2.683 -8.409 3.503 1.00 0.00 C ATOM 1028 C ARG A 68 1.432 -9.273 3.632 1.00 0.00 C ATOM 1029 O ARG A 68 0.520 -8.954 4.394 1.00 0.00 O ATOM 1030 CB ARG A 68 3.598 -8.633 4.709 1.00 0.00 C ATOM 1031 CG ARG A 68 5.067 -8.376 4.415 1.00 0.00 C ATOM 1032 CD ARG A 68 5.725 -9.585 3.768 1.00 0.00 C ATOM 1033 NE ARG A 68 6.008 -10.639 4.738 1.00 0.00 N ATOM 1034 CZ ARG A 68 7.100 -10.668 5.494 1.00 0.00 C ATOM 1035 NH1 ARG A 68 8.006 -9.706 5.393 1.00 0.00 N ATOM 1036 NH2 ARG A 68 7.286 -11.661 6.355 1.00 0.00 N ATOM 0 H ARG A 68 2.896 -6.376 3.967 1.00 0.00 H new ATOM 0 HA ARG A 68 3.212 -8.700 2.595 1.00 0.00 H new ATOM 0 HB2 ARG A 68 3.279 -7.981 5.522 1.00 0.00 H new ATOM 0 HB3 ARG A 68 3.480 -9.659 5.058 1.00 0.00 H new ATOM 0 HG2 ARG A 68 5.162 -7.513 3.756 1.00 0.00 H new ATOM 0 HG3 ARG A 68 5.587 -8.129 5.341 1.00 0.00 H new ATOM 0 HD2 ARG A 68 5.074 -9.977 2.987 1.00 0.00 H new ATOM 0 HD3 ARG A 68 6.653 -9.278 3.286 1.00 0.00 H new ATOM 0 HE ARG A 68 5.330 -11.394 4.841 1.00 0.00 H new ATOM 0 HH11 ARG A 68 7.866 -8.941 4.733 1.00 0.00 H new ATOM 0 HH12 ARG A 68 8.843 -9.731 5.975 1.00 0.00 H new ATOM 0 HH21 ARG A 68 6.590 -12.402 6.436 1.00 0.00 H new ATOM 0 HH22 ARG A 68 8.125 -11.683 6.935 1.00 0.00 H new ATOM 1050 N GLY A 69 1.397 -10.371 2.882 1.00 0.00 N ATOM 1051 CA GLY A 69 0.254 -11.264 2.927 1.00 0.00 C ATOM 1052 C GLY A 69 -1.065 -10.518 2.904 1.00 0.00 C ATOM 1053 O GLY A 69 -1.679 -10.296 3.948 1.00 0.00 O ATOM 0 H GLY A 69 2.140 -10.658 2.244 1.00 0.00 H new ATOM 0 HA2 GLY A 69 0.297 -11.947 2.078 1.00 0.00 H new ATOM 0 HA3 GLY A 69 0.308 -11.873 3.829 1.00 0.00 H new ATOM 1057 N ALA A 70 -1.503 -10.128 1.711 1.00 0.00 N ATOM 1058 CA ALA A 70 -2.758 -9.403 1.556 1.00 0.00 C ATOM 1059 C ALA A 70 -3.927 -10.364 1.371 1.00 0.00 C ATOM 1060 O ALA A 70 -4.143 -10.891 0.279 1.00 0.00 O ATOM 1061 CB ALA A 70 -2.670 -8.441 0.381 1.00 0.00 C ATOM 0 H ALA A 70 -1.006 -10.302 0.837 1.00 0.00 H new ATOM 0 HA ALA A 70 -2.934 -8.830 2.467 1.00 0.00 H new ATOM 0 HB1 ALA A 70 -3.614 -7.906 0.277 1.00 0.00 H new ATOM 0 HB2 ALA A 70 -1.866 -7.726 0.555 1.00 0.00 H new ATOM 0 HB3 ALA A 70 -2.467 -9.000 -0.532 1.00 0.00 H new ATOM 1067 N SER A 71 -4.679 -10.588 2.444 1.00 0.00 N ATOM 1068 CA SER A 71 -5.825 -11.489 2.399 1.00 0.00 C ATOM 1069 C SER A 71 -7.103 -10.727 2.065 1.00 0.00 C ATOM 1070 O SER A 71 -7.137 -9.496 2.113 1.00 0.00 O ATOM 1071 CB SER A 71 -5.984 -12.212 3.738 1.00 0.00 C ATOM 1072 OG SER A 71 -4.773 -12.837 4.127 1.00 0.00 O ATOM 0 H SER A 71 -4.516 -10.158 3.355 1.00 0.00 H new ATOM 0 HA SER A 71 -5.647 -12.225 1.615 1.00 0.00 H new ATOM 0 HB2 SER A 71 -6.292 -11.501 4.504 1.00 0.00 H new ATOM 0 HB3 SER A 71 -6.774 -12.959 3.660 1.00 0.00 H new ATOM 0 HG SER A 71 -4.900 -13.291 4.986 1.00 0.00 H new ATOM 1078 N LEU A 72 -8.154 -11.466 1.727 1.00 0.00 N ATOM 1079 CA LEU A 72 -9.436 -10.861 1.384 1.00 0.00 C ATOM 1080 C LEU A 72 -9.742 -9.678 2.297 1.00 0.00 C ATOM 1081 O LEU A 72 -10.287 -8.665 1.858 1.00 0.00 O ATOM 1082 CB LEU A 72 -10.555 -11.899 1.484 1.00 0.00 C ATOM 1083 CG LEU A 72 -10.310 -13.223 0.759 1.00 0.00 C ATOM 1084 CD1 LEU A 72 -11.451 -14.194 1.019 1.00 0.00 C ATOM 1085 CD2 LEU A 72 -10.135 -12.988 -0.734 1.00 0.00 C ATOM 0 H LEU A 72 -8.144 -12.485 1.683 1.00 0.00 H new ATOM 0 HA LEU A 72 -9.375 -10.498 0.358 1.00 0.00 H new ATOM 0 HB2 LEU A 72 -10.732 -12.113 2.538 1.00 0.00 H new ATOM 0 HB3 LEU A 72 -11.470 -11.456 1.090 1.00 0.00 H new ATOM 0 HG LEU A 72 -9.392 -13.664 1.147 1.00 0.00 H new ATOM 0 HD11 LEU A 72 -11.259 -15.130 0.495 1.00 0.00 H new ATOM 0 HD12 LEU A 72 -11.528 -14.386 2.089 1.00 0.00 H new ATOM 0 HD13 LEU A 72 -12.385 -13.762 0.660 1.00 0.00 H new ATOM 0 HD21 LEU A 72 -9.962 -13.941 -1.234 1.00 0.00 H new ATOM 0 HD22 LEU A 72 -11.035 -12.525 -1.137 1.00 0.00 H new ATOM 0 HD23 LEU A 72 -9.282 -12.330 -0.901 1.00 0.00 H new ATOM 1097 N LYS A 73 -9.385 -9.812 3.570 1.00 0.00 N ATOM 1098 CA LYS A 73 -9.617 -8.754 4.546 1.00 0.00 C ATOM 1099 C LYS A 73 -8.720 -7.551 4.268 1.00 0.00 C ATOM 1100 O LYS A 73 -9.181 -6.409 4.264 1.00 0.00 O ATOM 1101 CB LYS A 73 -9.365 -9.274 5.963 1.00 0.00 C ATOM 1102 CG LYS A 73 -10.177 -8.557 7.027 1.00 0.00 C ATOM 1103 CD LYS A 73 -11.641 -8.962 6.979 1.00 0.00 C ATOM 1104 CE LYS A 73 -12.508 -8.017 7.797 1.00 0.00 C ATOM 1105 NZ LYS A 73 -12.644 -6.684 7.146 1.00 0.00 N ATOM 0 H LYS A 73 -8.933 -10.644 3.950 1.00 0.00 H new ATOM 0 HA LYS A 73 -10.657 -8.438 4.461 1.00 0.00 H new ATOM 0 HB2 LYS A 73 -9.597 -10.339 5.997 1.00 0.00 H new ATOM 0 HB3 LYS A 73 -8.305 -9.171 6.196 1.00 0.00 H new ATOM 0 HG2 LYS A 73 -9.768 -8.783 8.012 1.00 0.00 H new ATOM 0 HG3 LYS A 73 -10.092 -7.479 6.886 1.00 0.00 H new ATOM 0 HD2 LYS A 73 -11.984 -8.968 5.944 1.00 0.00 H new ATOM 0 HD3 LYS A 73 -11.751 -9.978 7.358 1.00 0.00 H new ATOM 0 HE2 LYS A 73 -13.496 -8.457 7.933 1.00 0.00 H new ATOM 0 HE3 LYS A 73 -12.074 -7.894 8.789 1.00 0.00 H new ATOM 0 HZ1 LYS A 73 -13.418 -6.155 7.597 1.00 0.00 H new ATOM 0 HZ2 LYS A 73 -11.755 -6.154 7.251 1.00 0.00 H new ATOM 0 HZ3 LYS A 73 -12.854 -6.811 6.135 1.00 0.00 H new ATOM 1119 N ASP A 74 -7.440 -7.816 4.034 1.00 0.00 N ATOM 1120 CA ASP A 74 -6.479 -6.755 3.752 1.00 0.00 C ATOM 1121 C ASP A 74 -7.073 -5.724 2.798 1.00 0.00 C ATOM 1122 O ASP A 74 -6.909 -4.519 2.990 1.00 0.00 O ATOM 1123 CB ASP A 74 -5.199 -7.343 3.156 1.00 0.00 C ATOM 1124 CG ASP A 74 -4.314 -7.986 4.205 1.00 0.00 C ATOM 1125 OD1 ASP A 74 -4.806 -8.873 4.935 1.00 0.00 O ATOM 1126 OD2 ASP A 74 -3.129 -7.603 4.297 1.00 0.00 O ATOM 0 H ASP A 74 -7.043 -8.756 4.034 1.00 0.00 H new ATOM 0 HA ASP A 74 -6.238 -6.257 4.691 1.00 0.00 H new ATOM 0 HB2 ASP A 74 -5.461 -8.085 2.401 1.00 0.00 H new ATOM 0 HB3 ASP A 74 -4.642 -6.555 2.649 1.00 0.00 H new ATOM 1131 N ALA A 75 -7.761 -6.205 1.768 1.00 0.00 N ATOM 1132 CA ALA A 75 -8.380 -5.325 0.784 1.00 0.00 C ATOM 1133 C ALA A 75 -9.124 -4.181 1.463 1.00 0.00 C ATOM 1134 O ALA A 75 -9.921 -4.399 2.374 1.00 0.00 O ATOM 1135 CB ALA A 75 -9.324 -6.115 -0.110 1.00 0.00 C ATOM 0 H ALA A 75 -7.904 -7.200 1.593 1.00 0.00 H new ATOM 0 HA ALA A 75 -7.590 -4.895 0.169 1.00 0.00 H new ATOM 0 HB1 ALA A 75 -9.779 -5.446 -0.840 1.00 0.00 H new ATOM 0 HB2 ALA A 75 -8.766 -6.894 -0.630 1.00 0.00 H new ATOM 0 HB3 ALA A 75 -10.104 -6.572 0.499 1.00 0.00 H new ATOM 1141 N GLY A 76 -8.858 -2.958 1.012 1.00 0.00 N ATOM 1142 CA GLY A 76 -9.510 -1.797 1.589 1.00 0.00 C ATOM 1143 C GLY A 76 -9.151 -0.513 0.868 1.00 0.00 C ATOM 1144 O GLY A 76 -8.533 -0.543 -0.196 1.00 0.00 O ATOM 0 H GLY A 76 -8.203 -2.751 0.258 1.00 0.00 H new ATOM 0 HA2 GLY A 76 -10.590 -1.938 1.558 1.00 0.00 H new ATOM 0 HA3 GLY A 76 -9.230 -1.711 2.639 1.00 0.00 H new ATOM 1148 N GLU A 77 -9.539 0.618 1.448 1.00 0.00 N ATOM 1149 CA GLU A 77 -9.256 1.919 0.852 1.00 0.00 C ATOM 1150 C GLU A 77 -8.022 2.552 1.490 1.00 0.00 C ATOM 1151 O GLU A 77 -7.924 2.650 2.713 1.00 0.00 O ATOM 1152 CB GLU A 77 -10.459 2.850 1.008 1.00 0.00 C ATOM 1153 CG GLU A 77 -10.594 3.864 -0.115 1.00 0.00 C ATOM 1154 CD GLU A 77 -11.739 4.834 0.109 1.00 0.00 C ATOM 1155 OE1 GLU A 77 -12.115 5.046 1.281 1.00 0.00 O ATOM 1156 OE2 GLU A 77 -12.258 5.379 -0.887 1.00 0.00 O ATOM 0 H GLU A 77 -10.050 0.660 2.330 1.00 0.00 H new ATOM 0 HA GLU A 77 -9.059 1.769 -0.209 1.00 0.00 H new ATOM 0 HB2 GLU A 77 -11.368 2.250 1.056 1.00 0.00 H new ATOM 0 HB3 GLU A 77 -10.377 3.380 1.957 1.00 0.00 H new ATOM 0 HG2 GLU A 77 -9.663 4.423 -0.209 1.00 0.00 H new ATOM 0 HG3 GLU A 77 -10.747 3.338 -1.058 1.00 0.00 H new ATOM 1163 N TYR A 78 -7.084 2.980 0.652 1.00 0.00 N ATOM 1164 CA TYR A 78 -5.856 3.601 1.133 1.00 0.00 C ATOM 1165 C TYR A 78 -5.822 5.085 0.779 1.00 0.00 C ATOM 1166 O TYR A 78 -5.508 5.460 -0.351 1.00 0.00 O ATOM 1167 CB TYR A 78 -4.636 2.895 0.538 1.00 0.00 C ATOM 1168 CG TYR A 78 -4.475 1.467 1.006 1.00 0.00 C ATOM 1169 CD1 TYR A 78 -5.149 0.428 0.377 1.00 0.00 C ATOM 1170 CD2 TYR A 78 -3.647 1.156 2.078 1.00 0.00 C ATOM 1171 CE1 TYR A 78 -5.005 -0.878 0.802 1.00 0.00 C ATOM 1172 CE2 TYR A 78 -3.495 -0.148 2.509 1.00 0.00 C ATOM 1173 CZ TYR A 78 -4.177 -1.161 1.868 1.00 0.00 C ATOM 1174 OH TYR A 78 -4.030 -2.462 2.294 1.00 0.00 O ATOM 0 H TYR A 78 -7.151 2.908 -0.363 1.00 0.00 H new ATOM 0 HA TYR A 78 -5.830 3.504 2.218 1.00 0.00 H new ATOM 0 HB2 TYR A 78 -4.715 2.905 -0.549 1.00 0.00 H new ATOM 0 HB3 TYR A 78 -3.739 3.457 0.798 1.00 0.00 H new ATOM 0 HD1 TYR A 78 -5.797 0.645 -0.459 1.00 0.00 H new ATOM 0 HD2 TYR A 78 -3.113 1.947 2.583 1.00 0.00 H new ATOM 0 HE1 TYR A 78 -5.538 -1.673 0.302 1.00 0.00 H new ATOM 0 HE2 TYR A 78 -2.846 -0.373 3.343 1.00 0.00 H new ATOM 0 HH TYR A 78 -3.411 -2.490 3.054 1.00 0.00 H new ATOM 1184 N THR A 79 -6.146 5.926 1.756 1.00 0.00 N ATOM 1185 CA THR A 79 -6.154 7.369 1.550 1.00 0.00 C ATOM 1186 C THR A 79 -4.855 8.001 2.040 1.00 0.00 C ATOM 1187 O THR A 79 -4.587 8.039 3.241 1.00 0.00 O ATOM 1188 CB THR A 79 -7.339 8.034 2.275 1.00 0.00 C ATOM 1189 OG1 THR A 79 -8.575 7.538 1.748 1.00 0.00 O ATOM 1190 CG2 THR A 79 -7.288 9.547 2.122 1.00 0.00 C ATOM 0 H THR A 79 -6.406 5.633 2.698 1.00 0.00 H new ATOM 0 HA THR A 79 -6.255 7.534 0.477 1.00 0.00 H new ATOM 0 HB THR A 79 -7.271 7.790 3.335 1.00 0.00 H new ATOM 0 HG1 THR A 79 -9.324 7.964 2.215 1.00 0.00 H new ATOM 0 HG21 THR A 79 -8.135 9.994 2.642 1.00 0.00 H new ATOM 0 HG22 THR A 79 -6.359 9.925 2.549 1.00 0.00 H new ATOM 0 HG23 THR A 79 -7.333 9.808 1.065 1.00 0.00 H new ATOM 1198 N CYS A 80 -4.054 8.496 1.103 1.00 0.00 N ATOM 1199 CA CYS A 80 -2.783 9.126 1.439 1.00 0.00 C ATOM 1200 C CYS A 80 -2.958 10.627 1.647 1.00 0.00 C ATOM 1201 O CYS A 80 -2.789 11.416 0.718 1.00 0.00 O ATOM 1202 CB CYS A 80 -1.754 8.869 0.337 1.00 0.00 C ATOM 1203 SG CYS A 80 -0.732 7.403 0.608 1.00 0.00 S ATOM 0 H CYS A 80 -4.263 8.473 0.105 1.00 0.00 H new ATOM 0 HA CYS A 80 -2.424 8.687 2.370 1.00 0.00 H new ATOM 0 HB2 CYS A 80 -2.275 8.764 -0.615 1.00 0.00 H new ATOM 0 HB3 CYS A 80 -1.105 9.740 0.251 1.00 0.00 H new ATOM 0 HG CYS A 80 -1.497 6.361 0.751 1.00 0.00 H new ATOM 1209 N GLU A 81 -3.300 11.013 2.873 1.00 0.00 N ATOM 1210 CA GLU A 81 -3.502 12.420 3.201 1.00 0.00 C ATOM 1211 C GLU A 81 -2.165 13.130 3.391 1.00 0.00 C ATOM 1212 O GLU A 81 -1.585 13.107 4.477 1.00 0.00 O ATOM 1213 CB GLU A 81 -4.348 12.554 4.469 1.00 0.00 C ATOM 1214 CG GLU A 81 -5.199 13.813 4.502 1.00 0.00 C ATOM 1215 CD GLU A 81 -5.811 14.067 5.866 1.00 0.00 C ATOM 1216 OE1 GLU A 81 -6.371 13.117 6.452 1.00 0.00 O ATOM 1217 OE2 GLU A 81 -5.731 15.217 6.347 1.00 0.00 O ATOM 0 H GLU A 81 -3.443 10.372 3.654 1.00 0.00 H new ATOM 0 HA GLU A 81 -4.029 12.889 2.370 1.00 0.00 H new ATOM 0 HB2 GLU A 81 -4.998 11.684 4.556 1.00 0.00 H new ATOM 0 HB3 GLU A 81 -3.689 12.548 5.338 1.00 0.00 H new ATOM 0 HG2 GLU A 81 -4.587 14.669 4.217 1.00 0.00 H new ATOM 0 HG3 GLU A 81 -5.994 13.729 3.761 1.00 0.00 H new ATOM 1224 N VAL A 82 -1.681 13.763 2.327 1.00 0.00 N ATOM 1225 CA VAL A 82 -0.413 14.481 2.375 1.00 0.00 C ATOM 1226 C VAL A 82 -0.602 15.894 2.916 1.00 0.00 C ATOM 1227 O VAL A 82 -1.713 16.290 3.268 1.00 0.00 O ATOM 1228 CB VAL A 82 0.242 14.559 0.983 1.00 0.00 C ATOM 1229 CG1 VAL A 82 -0.379 15.681 0.164 1.00 0.00 C ATOM 1230 CG2 VAL A 82 1.745 14.750 1.112 1.00 0.00 C ATOM 0 H VAL A 82 -2.148 13.793 1.421 1.00 0.00 H new ATOM 0 HA VAL A 82 0.241 13.923 3.045 1.00 0.00 H new ATOM 0 HB VAL A 82 0.062 13.619 0.462 1.00 0.00 H new ATOM 0 HG11 VAL A 82 0.096 15.722 -0.816 1.00 0.00 H new ATOM 0 HG12 VAL A 82 -1.446 15.495 0.043 1.00 0.00 H new ATOM 0 HG13 VAL A 82 -0.232 16.631 0.678 1.00 0.00 H new ATOM 0 HG21 VAL A 82 2.192 14.803 0.119 1.00 0.00 H new ATOM 0 HG22 VAL A 82 1.949 15.675 1.652 1.00 0.00 H new ATOM 0 HG23 VAL A 82 2.173 13.909 1.658 1.00 0.00 H new ATOM 1240 N GLU A 83 0.490 16.649 2.979 1.00 0.00 N ATOM 1241 CA GLU A 83 0.444 18.018 3.477 1.00 0.00 C ATOM 1242 C GLU A 83 -0.938 18.629 3.263 1.00 0.00 C ATOM 1243 O GLU A 83 -1.703 18.807 4.210 1.00 0.00 O ATOM 1244 CB GLU A 83 1.505 18.874 2.782 1.00 0.00 C ATOM 1245 CG GLU A 83 1.897 18.359 1.408 1.00 0.00 C ATOM 1246 CD GLU A 83 2.391 19.460 0.490 1.00 0.00 C ATOM 1247 OE1 GLU A 83 3.376 20.137 0.853 1.00 0.00 O ATOM 1248 OE2 GLU A 83 1.793 19.647 -0.590 1.00 0.00 O ATOM 0 H GLU A 83 1.417 16.336 2.691 1.00 0.00 H new ATOM 0 HA GLU A 83 0.650 17.995 4.547 1.00 0.00 H new ATOM 0 HB2 GLU A 83 1.132 19.893 2.686 1.00 0.00 H new ATOM 0 HB3 GLU A 83 2.394 18.918 3.411 1.00 0.00 H new ATOM 0 HG2 GLU A 83 2.676 17.605 1.516 1.00 0.00 H new ATOM 0 HG3 GLU A 83 1.039 17.867 0.950 1.00 0.00 H new ATOM 1255 N ALA A 84 -1.251 18.947 2.011 1.00 0.00 N ATOM 1256 CA ALA A 84 -2.540 19.536 1.671 1.00 0.00 C ATOM 1257 C ALA A 84 -3.318 18.639 0.715 1.00 0.00 C ATOM 1258 O ALA A 84 -4.546 18.573 0.771 1.00 0.00 O ATOM 1259 CB ALA A 84 -2.346 20.917 1.062 1.00 0.00 C ATOM 0 H ALA A 84 -0.629 18.806 1.215 1.00 0.00 H new ATOM 0 HA ALA A 84 -3.120 19.634 2.589 1.00 0.00 H new ATOM 0 HB1 ALA A 84 -3.317 21.345 0.813 1.00 0.00 H new ATOM 0 HB2 ALA A 84 -1.838 21.563 1.779 1.00 0.00 H new ATOM 0 HB3 ALA A 84 -1.743 20.834 0.157 1.00 0.00 H new ATOM 1265 N SER A 85 -2.596 17.949 -0.162 1.00 0.00 N ATOM 1266 CA SER A 85 -3.220 17.058 -1.134 1.00 0.00 C ATOM 1267 C SER A 85 -3.623 15.739 -0.482 1.00 0.00 C ATOM 1268 O SER A 85 -3.413 15.534 0.714 1.00 0.00 O ATOM 1269 CB SER A 85 -2.266 16.793 -2.300 1.00 0.00 C ATOM 1270 OG SER A 85 -2.197 17.912 -3.167 1.00 0.00 O ATOM 0 H SER A 85 -1.578 17.990 -0.220 1.00 0.00 H new ATOM 0 HA SER A 85 -4.119 17.545 -1.512 1.00 0.00 H new ATOM 0 HB2 SER A 85 -1.272 16.565 -1.916 1.00 0.00 H new ATOM 0 HB3 SER A 85 -2.601 15.918 -2.857 1.00 0.00 H new ATOM 0 HG SER A 85 -2.440 17.637 -4.076 1.00 0.00 H new ATOM 1276 N LYS A 86 -4.203 14.847 -1.277 1.00 0.00 N ATOM 1277 CA LYS A 86 -4.636 13.546 -0.780 1.00 0.00 C ATOM 1278 C LYS A 86 -5.170 12.680 -1.916 1.00 0.00 C ATOM 1279 O LYS A 86 -5.806 13.180 -2.844 1.00 0.00 O ATOM 1280 CB LYS A 86 -5.713 13.719 0.293 1.00 0.00 C ATOM 1281 CG LYS A 86 -6.431 12.429 0.648 1.00 0.00 C ATOM 1282 CD LYS A 86 -7.803 12.700 1.242 1.00 0.00 C ATOM 1283 CE LYS A 86 -8.876 12.758 0.165 1.00 0.00 C ATOM 1284 NZ LYS A 86 -10.058 13.551 0.601 1.00 0.00 N ATOM 0 H LYS A 86 -4.384 15.001 -2.269 1.00 0.00 H new ATOM 0 HA LYS A 86 -3.772 13.047 -0.341 1.00 0.00 H new ATOM 0 HB2 LYS A 86 -5.255 14.129 1.193 1.00 0.00 H new ATOM 0 HB3 LYS A 86 -6.445 14.449 -0.053 1.00 0.00 H new ATOM 0 HG2 LYS A 86 -6.535 11.812 -0.245 1.00 0.00 H new ATOM 0 HG3 LYS A 86 -5.831 11.861 1.359 1.00 0.00 H new ATOM 0 HD2 LYS A 86 -8.050 11.919 1.961 1.00 0.00 H new ATOM 0 HD3 LYS A 86 -7.784 13.643 1.789 1.00 0.00 H new ATOM 0 HE2 LYS A 86 -8.458 13.198 -0.741 1.00 0.00 H new ATOM 0 HE3 LYS A 86 -9.191 11.746 -0.088 1.00 0.00 H new ATOM 0 HZ1 LYS A 86 -10.766 13.566 -0.161 1.00 0.00 H new ATOM 0 HZ2 LYS A 86 -10.473 13.117 1.450 1.00 0.00 H new ATOM 0 HZ3 LYS A 86 -9.762 14.524 0.818 1.00 0.00 H new ATOM 1298 N SER A 87 -4.908 11.379 -1.836 1.00 0.00 N ATOM 1299 CA SER A 87 -5.361 10.444 -2.859 1.00 0.00 C ATOM 1300 C SER A 87 -6.193 9.324 -2.242 1.00 0.00 C ATOM 1301 O SER A 87 -6.195 9.134 -1.025 1.00 0.00 O ATOM 1302 CB SER A 87 -4.163 9.853 -3.606 1.00 0.00 C ATOM 1303 OG SER A 87 -4.553 9.335 -4.866 1.00 0.00 O ATOM 0 H SER A 87 -4.385 10.949 -1.074 1.00 0.00 H new ATOM 0 HA SER A 87 -5.987 10.991 -3.564 1.00 0.00 H new ATOM 0 HB2 SER A 87 -3.402 10.621 -3.745 1.00 0.00 H new ATOM 0 HB3 SER A 87 -3.712 9.061 -3.008 1.00 0.00 H new ATOM 0 HG SER A 87 -4.954 8.449 -4.746 1.00 0.00 H new ATOM 1309 N THR A 88 -6.899 8.583 -3.090 1.00 0.00 N ATOM 1310 CA THR A 88 -7.736 7.482 -2.630 1.00 0.00 C ATOM 1311 C THR A 88 -7.708 6.320 -3.616 1.00 0.00 C ATOM 1312 O THR A 88 -7.799 6.519 -4.827 1.00 0.00 O ATOM 1313 CB THR A 88 -9.195 7.933 -2.427 1.00 0.00 C ATOM 1314 OG1 THR A 88 -9.230 9.166 -1.700 1.00 0.00 O ATOM 1315 CG2 THR A 88 -9.989 6.874 -1.677 1.00 0.00 C ATOM 0 H THR A 88 -6.908 8.726 -4.100 1.00 0.00 H new ATOM 0 HA THR A 88 -7.328 7.153 -1.674 1.00 0.00 H new ATOM 0 HB THR A 88 -9.647 8.077 -3.408 1.00 0.00 H new ATOM 0 HG1 THR A 88 -10.161 9.447 -1.576 1.00 0.00 H new ATOM 0 HG21 THR A 88 -11.016 7.215 -1.545 1.00 0.00 H new ATOM 0 HG22 THR A 88 -9.985 5.945 -2.247 1.00 0.00 H new ATOM 0 HG23 THR A 88 -9.536 6.703 -0.701 1.00 0.00 H new ATOM 1323 N ALA A 89 -7.581 5.107 -3.090 1.00 0.00 N ATOM 1324 CA ALA A 89 -7.544 3.912 -3.924 1.00 0.00 C ATOM 1325 C ALA A 89 -8.321 2.769 -3.281 1.00 0.00 C ATOM 1326 O ALA A 89 -8.771 2.876 -2.140 1.00 0.00 O ATOM 1327 CB ALA A 89 -6.104 3.494 -4.183 1.00 0.00 C ATOM 0 H ALA A 89 -7.502 4.925 -2.089 1.00 0.00 H new ATOM 0 HA ALA A 89 -8.019 4.149 -4.876 1.00 0.00 H new ATOM 0 HB1 ALA A 89 -6.091 2.600 -4.807 1.00 0.00 H new ATOM 0 HB2 ALA A 89 -5.577 4.300 -4.693 1.00 0.00 H new ATOM 0 HB3 ALA A 89 -5.611 3.281 -3.235 1.00 0.00 H new ATOM 1333 N SER A 90 -8.475 1.675 -4.020 1.00 0.00 N ATOM 1334 CA SER A 90 -9.202 0.513 -3.523 1.00 0.00 C ATOM 1335 C SER A 90 -8.488 -0.780 -3.908 1.00 0.00 C ATOM 1336 O SER A 90 -8.403 -1.129 -5.086 1.00 0.00 O ATOM 1337 CB SER A 90 -10.629 0.504 -4.074 1.00 0.00 C ATOM 1338 OG SER A 90 -10.639 0.220 -5.462 1.00 0.00 O ATOM 0 H SER A 90 -8.106 1.569 -4.965 1.00 0.00 H new ATOM 0 HA SER A 90 -9.240 0.577 -2.436 1.00 0.00 H new ATOM 0 HB2 SER A 90 -11.222 -0.241 -3.543 1.00 0.00 H new ATOM 0 HB3 SER A 90 -11.097 1.472 -3.894 1.00 0.00 H new ATOM 0 HG SER A 90 -9.784 -0.184 -5.719 1.00 0.00 H new ATOM 1344 N LEU A 91 -7.977 -1.487 -2.906 1.00 0.00 N ATOM 1345 CA LEU A 91 -7.270 -2.742 -3.137 1.00 0.00 C ATOM 1346 C LEU A 91 -8.252 -3.897 -3.304 1.00 0.00 C ATOM 1347 O LEU A 91 -9.295 -3.938 -2.651 1.00 0.00 O ATOM 1348 CB LEU A 91 -6.315 -3.032 -1.979 1.00 0.00 C ATOM 1349 CG LEU A 91 -5.772 -4.460 -1.898 1.00 0.00 C ATOM 1350 CD1 LEU A 91 -4.931 -4.781 -3.123 1.00 0.00 C ATOM 1351 CD2 LEU A 91 -4.959 -4.650 -0.626 1.00 0.00 C ATOM 0 H LEU A 91 -8.039 -1.213 -1.926 1.00 0.00 H new ATOM 0 HA LEU A 91 -6.695 -2.643 -4.058 1.00 0.00 H new ATOM 0 HB2 LEU A 91 -5.470 -2.347 -2.051 1.00 0.00 H new ATOM 0 HB3 LEU A 91 -6.830 -2.807 -1.045 1.00 0.00 H new ATOM 0 HG LEU A 91 -6.617 -5.149 -1.872 1.00 0.00 H new ATOM 0 HD11 LEU A 91 -4.553 -5.801 -3.048 1.00 0.00 H new ATOM 0 HD12 LEU A 91 -5.543 -4.686 -4.020 1.00 0.00 H new ATOM 0 HD13 LEU A 91 -4.093 -4.087 -3.181 1.00 0.00 H new ATOM 0 HD21 LEU A 91 -4.581 -5.671 -0.585 1.00 0.00 H new ATOM 0 HD22 LEU A 91 -4.121 -3.952 -0.622 1.00 0.00 H new ATOM 0 HD23 LEU A 91 -5.592 -4.462 0.242 1.00 0.00 H new ATOM 1363 N HIS A 92 -7.910 -4.836 -4.180 1.00 0.00 N ATOM 1364 CA HIS A 92 -8.760 -5.994 -4.431 1.00 0.00 C ATOM 1365 C HIS A 92 -7.987 -7.292 -4.218 1.00 0.00 C ATOM 1366 O HIS A 92 -6.792 -7.369 -4.505 1.00 0.00 O ATOM 1367 CB HIS A 92 -9.317 -5.947 -5.854 1.00 0.00 C ATOM 1368 CG HIS A 92 -9.968 -4.642 -6.199 1.00 0.00 C ATOM 1369 ND1 HIS A 92 -9.591 -3.665 -7.057 1.00 0.00 N flip ATOM 1370 CD2 HIS A 92 -11.152 -4.219 -5.633 1.00 0.00 C flip ATOM 1371 CE1 HIS A 92 -10.545 -2.680 -6.995 1.00 0.00 C flip ATOM 1372 NE2 HIS A 92 -11.476 -3.038 -6.130 1.00 0.00 N flip ATOM 0 H HIS A 92 -7.050 -4.818 -4.728 1.00 0.00 H new ATOM 0 HA HIS A 92 -9.589 -5.964 -3.724 1.00 0.00 H new ATOM 0 HB2 HIS A 92 -8.508 -6.138 -6.559 1.00 0.00 H new ATOM 0 HB3 HIS A 92 -10.043 -6.750 -5.978 1.00 0.00 H new ATOM 0 HD1 HIS A 92 -8.754 -3.661 -7.640 1.00 0.00 H new ATOM 0 HD2 HIS A 92 -11.725 -4.767 -4.899 1.00 0.00 H new ATOM 0 HE1 HIS A 92 -10.536 -1.761 -7.562 1.00 0.00 H new ATOM 1381 N VAL A 93 -8.676 -8.310 -3.711 1.00 0.00 N ATOM 1382 CA VAL A 93 -8.054 -9.604 -3.460 1.00 0.00 C ATOM 1383 C VAL A 93 -9.027 -10.745 -3.736 1.00 0.00 C ATOM 1384 O VAL A 93 -10.100 -10.816 -3.137 1.00 0.00 O ATOM 1385 CB VAL A 93 -7.551 -9.713 -2.009 1.00 0.00 C ATOM 1386 CG1 VAL A 93 -7.116 -11.137 -1.699 1.00 0.00 C ATOM 1387 CG2 VAL A 93 -6.412 -8.734 -1.765 1.00 0.00 C ATOM 0 H VAL A 93 -9.665 -8.263 -3.466 1.00 0.00 H new ATOM 0 HA VAL A 93 -7.204 -9.683 -4.138 1.00 0.00 H new ATOM 0 HB VAL A 93 -8.371 -9.456 -1.339 1.00 0.00 H new ATOM 0 HG11 VAL A 93 -6.764 -11.194 -0.669 1.00 0.00 H new ATOM 0 HG12 VAL A 93 -7.961 -11.813 -1.831 1.00 0.00 H new ATOM 0 HG13 VAL A 93 -6.311 -11.427 -2.374 1.00 0.00 H new ATOM 0 HG21 VAL A 93 -6.069 -8.825 -0.734 1.00 0.00 H new ATOM 0 HG22 VAL A 93 -5.588 -8.958 -2.443 1.00 0.00 H new ATOM 0 HG23 VAL A 93 -6.762 -7.717 -1.943 1.00 0.00 H new ATOM 1397 N GLU A 94 -8.645 -11.635 -4.646 1.00 0.00 N ATOM 1398 CA GLU A 94 -9.486 -12.773 -5.001 1.00 0.00 C ATOM 1399 C GLU A 94 -8.655 -14.047 -5.118 1.00 0.00 C ATOM 1400 O GLU A 94 -7.561 -14.037 -5.681 1.00 0.00 O ATOM 1401 CB GLU A 94 -10.216 -12.504 -6.318 1.00 0.00 C ATOM 1402 CG GLU A 94 -11.189 -11.339 -6.248 1.00 0.00 C ATOM 1403 CD GLU A 94 -12.213 -11.366 -7.366 1.00 0.00 C ATOM 1404 OE1 GLU A 94 -13.128 -12.214 -7.310 1.00 0.00 O ATOM 1405 OE2 GLU A 94 -12.100 -10.540 -8.295 1.00 0.00 O ATOM 0 H GLU A 94 -7.760 -11.591 -5.151 1.00 0.00 H new ATOM 0 HA GLU A 94 -10.221 -12.911 -4.208 1.00 0.00 H new ATOM 0 HB2 GLU A 94 -9.480 -12.306 -7.097 1.00 0.00 H new ATOM 0 HB3 GLU A 94 -10.758 -13.402 -6.613 1.00 0.00 H new ATOM 0 HG2 GLU A 94 -11.704 -11.358 -5.288 1.00 0.00 H new ATOM 0 HG3 GLU A 94 -10.633 -10.403 -6.292 1.00 0.00 H new ATOM 1412 N GLU A 95 -9.184 -15.143 -4.581 1.00 0.00 N ATOM 1413 CA GLU A 95 -8.490 -16.425 -4.624 1.00 0.00 C ATOM 1414 C GLU A 95 -8.786 -17.160 -5.928 1.00 0.00 C ATOM 1415 O GLU A 95 -9.903 -17.109 -6.443 1.00 0.00 O ATOM 1416 CB GLU A 95 -8.901 -17.292 -3.432 1.00 0.00 C ATOM 1417 CG GLU A 95 -7.851 -18.315 -3.033 1.00 0.00 C ATOM 1418 CD GLU A 95 -8.433 -19.472 -2.245 1.00 0.00 C ATOM 1419 OE1 GLU A 95 -9.455 -20.037 -2.686 1.00 0.00 O ATOM 1420 OE2 GLU A 95 -7.865 -19.812 -1.185 1.00 0.00 O ATOM 0 H GLU A 95 -10.089 -15.168 -4.112 1.00 0.00 H new ATOM 0 HA GLU A 95 -7.419 -16.232 -4.571 1.00 0.00 H new ATOM 0 HB2 GLU A 95 -9.110 -16.647 -2.579 1.00 0.00 H new ATOM 0 HB3 GLU A 95 -9.829 -17.811 -3.674 1.00 0.00 H new ATOM 0 HG2 GLU A 95 -7.365 -18.699 -3.930 1.00 0.00 H new ATOM 0 HG3 GLU A 95 -7.081 -17.826 -2.437 1.00 0.00 H new