USER MOD reduce.3.24.130724 H: found=0, std=0, add=559, rem=0, adj=18 USER MOD reduce.3.24.130724 removed 549 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 57 CYS SG : rot -139:sc= 0.0489 USER MOD Set 1.2: A 60 CYS SG : rot -110:sc= -1.87 USER MOD Set 1.3: A 73 HIS : no HE2:sc= -2.09 K(o=-5.9,f=-7.1) USER MOD Set 1.4: A 74 THR OG1 : rot 75:sc= 0.44 USER MOD Set 1.5: A 78 HIS : no HE2:sc= -2.42 K(o=-5.9,f=-7) USER MOD Set 2.1: A 27 CYS SG : rot -80:sc= 0.151 USER MOD Set 2.2: A 30 CYS SG : rot -96:sc= -0.787 USER MOD Set 2.3: A 44 HIS : no HD1:sc= -3.33 X(o=-3.4,f=-3.1) USER MOD Set 2.4: A 48 CYS SG : rot 174:sc= 0.53 USER MOD Single : A 14 GLN : amide:sc= 0 K(o=0,f=-0.61) USER MOD Single : A 16 GLN : amide:sc= -0.109 K(o=-0.11,f=-1.5!) USER MOD Single : A 20 HIS : no HD1:sc= -3.56 X(o=-3.6,f=-3.1!) USER MOD Single : A 29 THR OG1 : rot 180:sc= 0 USER MOD Single : A 31 ASN :FLIP amide:sc= -0.168 F(o=-0.8,f=-0.17) USER MOD Single : A 34 THR OG1 : rot -160:sc= -0.803 USER MOD Single : A 36 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 37 THR OG1 : rot -64:sc= 0.464 USER MOD Single : A 42 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 43 LYS NZ :NH3+ 171:sc= 0 (180deg=-0.0369) USER MOD Single : A 45 MET CE :methyl -116:sc= -0.277 (180deg=-3.26!) USER MOD Single : A 49 GLN : amide:sc= 0 K(o=0,f=-0.73) USER MOD Single : A 50 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 52 GLN : amide:sc= -3 K(o=-3,f=-9.1!) USER MOD Single : A 56 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 58 GLN : amide:sc= -0.0179 K(o=-0.018,f=-1) USER MOD Single : A 59 HIS : no HD1:sc= 0 X(o=0,f=-0.05) USER MOD Single : A 62 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 63 GLN : amide:sc= -1.22 X(o=-1.2,f=-1.5) USER MOD Single : A 65 LYS NZ :NH3+ -167:sc=-0.00545 (180deg=-0.158) USER MOD Single : A 66 SER OG : rot 38:sc= 0.282 USER MOD Single : A 67 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 71 ASN : amide:sc= -0.177 X(o=-0.18,f=-0.0075) USER MOD Single : A 72 TYR OH : rot 180:sc= 0 USER MOD Single : A 75 MET CE :methyl 163:sc= -0.0276 (180deg=-0.322) USER MOD ----------------------------------------------------------------- ATOM 94 N PRO A 11 -1.953 17.649 -6.854 1.00 0.00 N ATOM 95 CA PRO A 11 -2.385 17.176 -8.172 1.00 0.00 C ATOM 96 C PRO A 11 -1.214 16.725 -9.038 1.00 0.00 C ATOM 97 O PRO A 11 -1.243 15.641 -9.620 1.00 0.00 O ATOM 98 CB PRO A 11 -3.060 18.406 -8.785 1.00 0.00 C ATOM 99 CG PRO A 11 -2.429 19.567 -8.098 1.00 0.00 C ATOM 100 CD PRO A 11 -2.121 19.103 -6.701 1.00 0.00 C ATOM 0 HA PRO A 11 -3.037 16.306 -8.100 1.00 0.00 H new ATOM 0 HB2 PRO A 11 -2.900 18.449 -9.862 1.00 0.00 H new ATOM 0 HB3 PRO A 11 -4.138 18.388 -8.623 1.00 0.00 H new ATOM 0 HG2 PRO A 11 -1.522 19.880 -8.614 1.00 0.00 H new ATOM 0 HG3 PRO A 11 -3.101 20.425 -8.085 1.00 0.00 H new ATOM 0 HD2 PRO A 11 -1.218 19.573 -6.311 1.00 0.00 H new ATOM 0 HD3 PRO A 11 -2.929 19.344 -6.010 1.00 0.00 H new ATOM 108 N GLU A 12 -0.185 17.563 -9.119 1.00 0.00 N ATOM 109 CA GLU A 12 0.995 17.248 -9.915 1.00 0.00 C ATOM 110 C GLU A 12 2.273 17.542 -9.134 1.00 0.00 C ATOM 111 O GLU A 12 2.879 18.601 -9.292 1.00 0.00 O ATOM 112 CB GLU A 12 0.986 18.047 -11.219 1.00 0.00 C ATOM 113 CG GLU A 12 -0.252 17.813 -12.068 1.00 0.00 C ATOM 114 CD GLU A 12 -1.337 18.842 -11.814 1.00 0.00 C ATOM 115 OE1 GLU A 12 -0.998 19.969 -11.397 1.00 0.00 O ATOM 116 OE2 GLU A 12 -2.523 18.520 -12.032 1.00 0.00 O ATOM 0 H GLU A 12 -0.145 18.464 -8.643 1.00 0.00 H new ATOM 0 HA GLU A 12 0.970 16.184 -10.149 1.00 0.00 H new ATOM 0 HB2 GLU A 12 1.060 19.109 -10.985 1.00 0.00 H new ATOM 0 HB3 GLU A 12 1.870 17.786 -11.801 1.00 0.00 H new ATOM 0 HG2 GLU A 12 0.025 17.836 -13.122 1.00 0.00 H new ATOM 0 HG3 GLU A 12 -0.646 16.817 -11.863 1.00 0.00 H new ATOM 123 N GLU A 13 2.675 16.597 -8.290 1.00 0.00 N ATOM 124 CA GLU A 13 3.879 16.756 -7.483 1.00 0.00 C ATOM 125 C GLU A 13 5.105 16.232 -8.226 1.00 0.00 C ATOM 126 O GLU A 13 6.147 16.886 -8.262 1.00 0.00 O ATOM 127 CB GLU A 13 3.726 16.022 -6.149 1.00 0.00 C ATOM 128 CG GLU A 13 3.511 14.526 -6.298 1.00 0.00 C ATOM 129 CD GLU A 13 3.127 13.859 -4.992 1.00 0.00 C ATOM 130 OE1 GLU A 13 3.826 14.087 -3.982 1.00 0.00 O ATOM 131 OE2 GLU A 13 2.128 13.109 -4.979 1.00 0.00 O ATOM 0 H GLU A 13 2.185 15.714 -8.147 1.00 0.00 H new ATOM 0 HA GLU A 13 4.019 17.820 -7.291 1.00 0.00 H new ATOM 0 HB2 GLU A 13 4.617 16.194 -5.545 1.00 0.00 H new ATOM 0 HB3 GLU A 13 2.884 16.449 -5.604 1.00 0.00 H new ATOM 0 HG2 GLU A 13 2.730 14.347 -7.037 1.00 0.00 H new ATOM 0 HG3 GLU A 13 4.423 14.068 -6.681 1.00 0.00 H new ATOM 138 N GLN A 14 4.971 15.049 -8.817 1.00 0.00 N ATOM 139 CA GLN A 14 6.067 14.437 -9.558 1.00 0.00 C ATOM 140 C GLN A 14 6.010 14.822 -11.033 1.00 0.00 C ATOM 141 O GLN A 14 7.041 15.053 -11.664 1.00 0.00 O ATOM 142 CB GLN A 14 6.021 12.915 -9.414 1.00 0.00 C ATOM 143 CG GLN A 14 7.358 12.239 -9.673 1.00 0.00 C ATOM 144 CD GLN A 14 7.274 10.728 -9.584 1.00 0.00 C ATOM 145 OE1 GLN A 14 6.262 10.128 -9.946 1.00 0.00 O ATOM 146 NE2 GLN A 14 8.341 10.103 -9.100 1.00 0.00 N ATOM 0 H GLN A 14 4.114 14.496 -8.797 1.00 0.00 H new ATOM 0 HA GLN A 14 7.004 14.806 -9.141 1.00 0.00 H new ATOM 0 HB2 GLN A 14 5.685 12.663 -8.408 1.00 0.00 H new ATOM 0 HB3 GLN A 14 5.281 12.515 -10.107 1.00 0.00 H new ATOM 0 HG2 GLN A 14 7.718 12.522 -10.662 1.00 0.00 H new ATOM 0 HG3 GLN A 14 8.090 12.602 -8.952 1.00 0.00 H new ATOM 0 HE21 GLN A 14 9.159 10.640 -8.812 1.00 0.00 H new ATOM 0 HE22 GLN A 14 8.342 9.086 -9.017 1.00 0.00 H new ATOM 155 N TRP A 15 4.799 14.890 -11.574 1.00 0.00 N ATOM 156 CA TRP A 15 4.608 15.247 -12.975 1.00 0.00 C ATOM 157 C TRP A 15 5.146 16.645 -13.259 1.00 0.00 C ATOM 158 O TRP A 15 5.829 16.865 -14.259 1.00 0.00 O ATOM 159 CB TRP A 15 3.125 15.174 -13.344 1.00 0.00 C ATOM 160 CG TRP A 15 2.590 13.774 -13.378 1.00 0.00 C ATOM 161 CD1 TRP A 15 3.258 12.651 -13.772 1.00 0.00 C ATOM 162 CD2 TRP A 15 1.274 13.351 -13.004 1.00 0.00 C ATOM 163 NE1 TRP A 15 2.437 11.554 -13.667 1.00 0.00 N ATOM 164 CE2 TRP A 15 1.215 11.957 -13.197 1.00 0.00 C ATOM 165 CE3 TRP A 15 0.141 14.013 -12.524 1.00 0.00 C ATOM 166 CZ2 TRP A 15 0.068 11.216 -12.927 1.00 0.00 C ATOM 167 CZ3 TRP A 15 -0.997 13.276 -12.256 1.00 0.00 C ATOM 168 CH2 TRP A 15 -1.027 11.890 -12.458 1.00 0.00 C ATOM 0 H TRP A 15 3.935 14.703 -11.064 1.00 0.00 H new ATOM 0 HA TRP A 15 5.163 14.533 -13.584 1.00 0.00 H new ATOM 0 HB2 TRP A 15 2.550 15.758 -12.625 1.00 0.00 H new ATOM 0 HB3 TRP A 15 2.978 15.636 -14.320 1.00 0.00 H new ATOM 0 HD1 TRP A 15 4.282 12.628 -14.116 1.00 0.00 H new ATOM 0 HE1 TRP A 15 2.696 10.595 -13.901 1.00 0.00 H new ATOM 0 HE3 TRP A 15 0.154 15.081 -12.365 1.00 0.00 H new ATOM 0 HZ2 TRP A 15 0.043 10.147 -13.082 1.00 0.00 H new ATOM 0 HZ3 TRP A 15 -1.879 13.777 -11.884 1.00 0.00 H new ATOM 0 HH2 TRP A 15 -1.932 11.343 -12.239 1.00 0.00 H new ATOM 179 N GLN A 16 4.835 17.586 -12.373 1.00 0.00 N ATOM 180 CA GLN A 16 5.289 18.963 -12.531 1.00 0.00 C ATOM 181 C GLN A 16 6.807 19.052 -12.418 1.00 0.00 C ATOM 182 O GLN A 16 7.455 19.762 -13.187 1.00 0.00 O ATOM 183 CB GLN A 16 4.634 19.861 -11.480 1.00 0.00 C ATOM 184 CG GLN A 16 3.219 20.285 -11.838 1.00 0.00 C ATOM 185 CD GLN A 16 3.185 21.513 -12.726 1.00 0.00 C ATOM 186 OE1 GLN A 16 4.064 22.371 -12.652 1.00 0.00 O ATOM 187 NE2 GLN A 16 2.167 21.603 -13.574 1.00 0.00 N ATOM 0 H GLN A 16 4.271 17.420 -11.539 1.00 0.00 H new ATOM 0 HA GLN A 16 4.997 19.304 -13.524 1.00 0.00 H new ATOM 0 HB2 GLN A 16 4.616 19.335 -10.525 1.00 0.00 H new ATOM 0 HB3 GLN A 16 5.247 20.752 -11.342 1.00 0.00 H new ATOM 0 HG2 GLN A 16 2.714 19.462 -12.343 1.00 0.00 H new ATOM 0 HG3 GLN A 16 2.662 20.487 -10.923 1.00 0.00 H new ATOM 0 HE21 GLN A 16 1.460 20.868 -13.602 1.00 0.00 H new ATOM 0 HE22 GLN A 16 2.092 22.407 -14.197 1.00 0.00 H new ATOM 196 N ARG A 17 7.368 18.327 -11.456 1.00 0.00 N ATOM 197 CA ARG A 17 8.810 18.326 -11.242 1.00 0.00 C ATOM 198 C ARG A 17 9.554 18.088 -12.552 1.00 0.00 C ATOM 199 O ARG A 17 10.617 18.661 -12.787 1.00 0.00 O ATOM 200 CB ARG A 17 9.195 17.253 -10.222 1.00 0.00 C ATOM 201 CG ARG A 17 9.228 17.759 -8.789 1.00 0.00 C ATOM 202 CD ARG A 17 9.771 16.703 -7.838 1.00 0.00 C ATOM 203 NE ARG A 17 11.196 16.461 -8.045 1.00 0.00 N ATOM 204 CZ ARG A 17 11.935 15.694 -7.250 1.00 0.00 C ATOM 205 NH1 ARG A 17 11.385 15.098 -6.201 1.00 0.00 N ATOM 206 NH2 ARG A 17 13.225 15.522 -7.505 1.00 0.00 N ATOM 0 H ARG A 17 6.846 17.733 -10.812 1.00 0.00 H new ATOM 0 HA ARG A 17 9.095 19.304 -10.855 1.00 0.00 H new ATOM 0 HB2 ARG A 17 8.487 16.428 -10.291 1.00 0.00 H new ATOM 0 HB3 ARG A 17 10.176 16.854 -10.480 1.00 0.00 H new ATOM 0 HG2 ARG A 17 9.847 18.654 -8.732 1.00 0.00 H new ATOM 0 HG3 ARG A 17 8.223 18.046 -8.480 1.00 0.00 H new ATOM 0 HD2 ARG A 17 9.603 17.021 -6.809 1.00 0.00 H new ATOM 0 HD3 ARG A 17 9.221 15.772 -7.978 1.00 0.00 H new ATOM 0 HE ARG A 17 11.649 16.905 -8.844 1.00 0.00 H new ATOM 0 HH11 ARG A 17 10.393 15.228 -6.003 1.00 0.00 H new ATOM 0 HH12 ARG A 17 11.954 14.510 -5.592 1.00 0.00 H new ATOM 0 HH21 ARG A 17 13.651 15.979 -8.312 1.00 0.00 H new ATOM 0 HH22 ARG A 17 13.791 14.933 -6.894 1.00 0.00 H new ATOM 220 N ALA A 18 8.987 17.237 -13.402 1.00 0.00 N ATOM 221 CA ALA A 18 9.595 16.924 -14.689 1.00 0.00 C ATOM 222 C ALA A 18 9.151 17.912 -15.761 1.00 0.00 C ATOM 223 O ALA A 18 9.904 18.219 -16.686 1.00 0.00 O ATOM 224 CB ALA A 18 9.249 15.501 -15.104 1.00 0.00 C ATOM 0 H ALA A 18 8.108 16.752 -13.222 1.00 0.00 H new ATOM 0 HA ALA A 18 10.677 17.007 -14.582 1.00 0.00 H new ATOM 0 HB1 ALA A 18 9.710 15.281 -16.067 1.00 0.00 H new ATOM 0 HB2 ALA A 18 9.622 14.803 -14.355 1.00 0.00 H new ATOM 0 HB3 ALA A 18 8.167 15.399 -15.188 1.00 0.00 H new ATOM 230 N ILE A 19 7.925 18.407 -15.632 1.00 0.00 N ATOM 231 CA ILE A 19 7.381 19.361 -16.591 1.00 0.00 C ATOM 232 C ILE A 19 8.227 20.629 -16.644 1.00 0.00 C ATOM 233 O ILE A 19 8.322 21.282 -17.683 1.00 0.00 O ATOM 234 CB ILE A 19 5.929 19.740 -16.246 1.00 0.00 C ATOM 235 CG1 ILE A 19 4.977 18.606 -16.632 1.00 0.00 C ATOM 236 CG2 ILE A 19 5.537 21.031 -16.950 1.00 0.00 C ATOM 237 CD1 ILE A 19 3.598 18.742 -16.027 1.00 0.00 C ATOM 0 H ILE A 19 7.289 18.163 -14.873 1.00 0.00 H new ATOM 0 HA ILE A 19 7.398 18.874 -17.566 1.00 0.00 H new ATOM 0 HB ILE A 19 5.857 19.899 -15.170 1.00 0.00 H new ATOM 0 HG12 ILE A 19 4.887 18.572 -17.718 1.00 0.00 H new ATOM 0 HG13 ILE A 19 5.410 17.656 -16.318 1.00 0.00 H new ATOM 0 HG21 ILE A 19 4.508 21.286 -16.696 1.00 0.00 H new ATOM 0 HG22 ILE A 19 6.199 21.835 -16.630 1.00 0.00 H new ATOM 0 HG23 ILE A 19 5.622 20.898 -18.028 1.00 0.00 H new ATOM 0 HD11 ILE A 19 2.977 17.904 -16.344 1.00 0.00 H new ATOM 0 HD12 ILE A 19 3.676 18.745 -14.940 1.00 0.00 H new ATOM 0 HD13 ILE A 19 3.145 19.675 -16.361 1.00 0.00 H new ATOM 249 N HIS A 20 8.842 20.971 -15.516 1.00 0.00 N ATOM 250 CA HIS A 20 9.683 22.160 -15.434 1.00 0.00 C ATOM 251 C HIS A 20 11.158 21.792 -15.559 1.00 0.00 C ATOM 252 O HIS A 20 11.960 22.570 -16.075 1.00 0.00 O ATOM 253 CB HIS A 20 9.438 22.894 -14.115 1.00 0.00 C ATOM 254 CG HIS A 20 10.362 22.472 -13.015 1.00 0.00 C ATOM 255 ND1 HIS A 20 11.445 23.224 -12.611 1.00 0.00 N ATOM 256 CD2 HIS A 20 10.359 21.369 -12.230 1.00 0.00 C ATOM 257 CE1 HIS A 20 12.069 22.601 -11.628 1.00 0.00 C ATOM 258 NE2 HIS A 20 11.430 21.473 -11.377 1.00 0.00 N ATOM 0 H HIS A 20 8.774 20.442 -14.647 1.00 0.00 H new ATOM 0 HA HIS A 20 9.420 22.819 -16.262 1.00 0.00 H new ATOM 0 HB2 HIS A 20 9.548 23.966 -14.279 1.00 0.00 H new ATOM 0 HB3 HIS A 20 8.409 22.723 -13.799 1.00 0.00 H new ATOM 0 HD2 HIS A 20 9.647 20.558 -12.268 1.00 0.00 H new ATOM 0 HE1 HIS A 20 12.952 22.954 -11.116 1.00 0.00 H new ATOM 0 HE2 HIS A 20 11.690 20.790 -10.665 1.00 0.00 H new ATOM 266 N GLU A 21 11.508 20.601 -15.083 1.00 0.00 N ATOM 267 CA GLU A 21 12.888 20.132 -15.140 1.00 0.00 C ATOM 268 C GLU A 21 13.313 19.867 -16.582 1.00 0.00 C ATOM 269 O GLU A 21 14.290 20.438 -17.067 1.00 0.00 O ATOM 270 CB GLU A 21 13.052 18.859 -14.307 1.00 0.00 C ATOM 271 CG GLU A 21 13.399 19.125 -12.851 1.00 0.00 C ATOM 272 CD GLU A 21 13.454 17.856 -12.023 1.00 0.00 C ATOM 273 OE1 GLU A 21 12.377 17.347 -11.647 1.00 0.00 O ATOM 274 OE2 GLU A 21 14.572 17.372 -11.752 1.00 0.00 O ATOM 0 H GLU A 21 10.856 19.944 -14.654 1.00 0.00 H new ATOM 0 HA GLU A 21 13.528 20.913 -14.728 1.00 0.00 H new ATOM 0 HB2 GLU A 21 12.127 18.284 -14.352 1.00 0.00 H new ATOM 0 HB3 GLU A 21 13.833 18.242 -14.751 1.00 0.00 H new ATOM 0 HG2 GLU A 21 14.363 19.631 -12.798 1.00 0.00 H new ATOM 0 HG3 GLU A 21 12.660 19.802 -12.423 1.00 0.00 H new ATOM 281 N ARG A 22 12.572 18.998 -17.261 1.00 0.00 N ATOM 282 CA ARG A 22 12.872 18.655 -18.646 1.00 0.00 C ATOM 283 C ARG A 22 11.935 19.387 -19.602 1.00 0.00 C ATOM 284 O ARG A 22 12.367 19.925 -20.620 1.00 0.00 O ATOM 285 CB ARG A 22 12.756 17.145 -18.857 1.00 0.00 C ATOM 286 CG ARG A 22 11.402 16.577 -18.463 1.00 0.00 C ATOM 287 CD ARG A 22 11.265 15.121 -18.881 1.00 0.00 C ATOM 288 NE ARG A 22 11.762 14.209 -17.855 1.00 0.00 N ATOM 289 CZ ARG A 22 12.159 12.966 -18.107 1.00 0.00 C ATOM 290 NH1 ARG A 22 12.118 12.491 -19.344 1.00 0.00 N ATOM 291 NH2 ARG A 22 12.598 12.196 -17.119 1.00 0.00 N ATOM 0 H ARG A 22 11.759 18.518 -16.874 1.00 0.00 H new ATOM 0 HA ARG A 22 13.895 18.966 -18.858 1.00 0.00 H new ATOM 0 HB2 ARG A 22 12.944 16.918 -19.906 1.00 0.00 H new ATOM 0 HB3 ARG A 22 13.533 16.645 -18.278 1.00 0.00 H new ATOM 0 HG2 ARG A 22 11.271 16.661 -17.384 1.00 0.00 H new ATOM 0 HG3 ARG A 22 10.610 17.166 -18.927 1.00 0.00 H new ATOM 0 HD2 ARG A 22 10.218 14.900 -19.086 1.00 0.00 H new ATOM 0 HD3 ARG A 22 11.813 14.957 -19.809 1.00 0.00 H new ATOM 0 HE ARG A 22 11.807 14.544 -16.893 1.00 0.00 H new ATOM 0 HH11 ARG A 22 11.781 13.080 -20.106 1.00 0.00 H new ATOM 0 HH12 ARG A 22 12.423 11.537 -19.534 1.00 0.00 H new ATOM 0 HH21 ARG A 22 12.631 12.558 -16.166 1.00 0.00 H new ATOM 0 HH22 ARG A 22 12.903 11.242 -17.313 1.00 0.00 H new ATOM 305 N GLY A 23 10.649 19.402 -19.266 1.00 0.00 N ATOM 306 CA GLY A 23 9.671 20.069 -20.106 1.00 0.00 C ATOM 307 C GLY A 23 8.267 19.537 -19.895 1.00 0.00 C ATOM 308 O GLY A 23 7.330 20.307 -19.686 1.00 0.00 O ATOM 0 H GLY A 23 10.267 18.964 -18.428 1.00 0.00 H new ATOM 0 HA2 GLY A 23 9.686 21.139 -19.897 1.00 0.00 H new ATOM 0 HA3 GLY A 23 9.950 19.945 -21.152 1.00 0.00 H new ATOM 312 N GLU A 24 8.121 18.217 -19.953 1.00 0.00 N ATOM 313 CA GLU A 24 6.820 17.584 -19.770 1.00 0.00 C ATOM 314 C GLU A 24 6.977 16.166 -19.228 1.00 0.00 C ATOM 315 O GLU A 24 7.994 15.512 -19.455 1.00 0.00 O ATOM 316 CB GLU A 24 6.052 17.554 -21.093 1.00 0.00 C ATOM 317 CG GLU A 24 6.589 16.538 -22.086 1.00 0.00 C ATOM 318 CD GLU A 24 7.665 17.113 -22.986 1.00 0.00 C ATOM 319 OE1 GLU A 24 8.296 18.115 -22.589 1.00 0.00 O ATOM 320 OE2 GLU A 24 7.875 16.563 -24.087 1.00 0.00 O ATOM 0 H GLU A 24 8.887 17.566 -20.125 1.00 0.00 H new ATOM 0 HA GLU A 24 6.257 18.172 -19.045 1.00 0.00 H new ATOM 0 HB2 GLU A 24 5.004 17.332 -20.890 1.00 0.00 H new ATOM 0 HB3 GLU A 24 6.086 18.545 -21.546 1.00 0.00 H new ATOM 0 HG2 GLU A 24 6.993 15.684 -21.543 1.00 0.00 H new ATOM 0 HG3 GLU A 24 5.768 16.166 -22.699 1.00 0.00 H new ATOM 327 N ALA A 25 5.961 15.698 -18.509 1.00 0.00 N ATOM 328 CA ALA A 25 5.984 14.358 -17.936 1.00 0.00 C ATOM 329 C ALA A 25 4.981 13.446 -18.633 1.00 0.00 C ATOM 330 O ALA A 25 3.808 13.398 -18.262 1.00 0.00 O ATOM 331 CB ALA A 25 5.698 14.418 -16.443 1.00 0.00 C ATOM 0 H ALA A 25 5.112 16.227 -18.310 1.00 0.00 H new ATOM 0 HA ALA A 25 6.980 13.941 -18.087 1.00 0.00 H new ATOM 0 HB1 ALA A 25 5.718 13.410 -16.028 1.00 0.00 H new ATOM 0 HB2 ALA A 25 6.456 15.028 -15.952 1.00 0.00 H new ATOM 0 HB3 ALA A 25 4.715 14.859 -16.278 1.00 0.00 H new ATOM 337 N VAL A 26 5.449 12.723 -19.646 1.00 0.00 N ATOM 338 CA VAL A 26 4.592 11.811 -20.394 1.00 0.00 C ATOM 339 C VAL A 26 4.179 10.619 -19.539 1.00 0.00 C ATOM 340 O VAL A 26 4.541 10.527 -18.366 1.00 0.00 O ATOM 341 CB VAL A 26 5.294 11.299 -21.666 1.00 0.00 C ATOM 342 CG1 VAL A 26 5.535 12.442 -22.640 1.00 0.00 C ATOM 343 CG2 VAL A 26 6.600 10.606 -21.311 1.00 0.00 C ATOM 0 H VAL A 26 6.417 12.751 -19.967 1.00 0.00 H new ATOM 0 HA VAL A 26 3.703 12.374 -20.680 1.00 0.00 H new ATOM 0 HB VAL A 26 4.643 10.571 -22.151 1.00 0.00 H new ATOM 0 HG11 VAL A 26 6.032 12.061 -23.532 1.00 0.00 H new ATOM 0 HG12 VAL A 26 4.581 12.890 -22.919 1.00 0.00 H new ATOM 0 HG13 VAL A 26 6.165 13.196 -22.168 1.00 0.00 H new ATOM 0 HG21 VAL A 26 7.083 10.251 -22.221 1.00 0.00 H new ATOM 0 HG22 VAL A 26 7.259 11.310 -20.802 1.00 0.00 H new ATOM 0 HG23 VAL A 26 6.396 9.760 -20.654 1.00 0.00 H new ATOM 353 N CYS A 27 3.419 9.706 -20.135 1.00 0.00 N ATOM 354 CA CYS A 27 2.956 8.517 -19.429 1.00 0.00 C ATOM 355 C CYS A 27 4.135 7.680 -18.941 1.00 0.00 C ATOM 356 O CYS A 27 5.008 7.283 -19.713 1.00 0.00 O ATOM 357 CB CYS A 27 2.060 7.675 -20.340 1.00 0.00 C ATOM 358 SG CYS A 27 0.797 6.708 -19.452 1.00 0.00 S ATOM 0 H CYS A 27 3.111 9.767 -21.105 1.00 0.00 H new ATOM 0 HA CYS A 27 2.380 8.840 -18.562 1.00 0.00 H new ATOM 0 HB2 CYS A 27 1.564 8.333 -21.053 1.00 0.00 H new ATOM 0 HB3 CYS A 27 2.685 6.993 -20.917 1.00 0.00 H new ATOM 0 HG CYS A 27 1.338 5.632 -18.964 1.00 0.00 H new ATOM 363 N PRO A 28 4.162 7.405 -17.629 1.00 0.00 N ATOM 364 CA PRO A 28 5.227 6.612 -17.008 1.00 0.00 C ATOM 365 C PRO A 28 5.169 5.144 -17.414 1.00 0.00 C ATOM 366 O PRO A 28 5.905 4.312 -16.883 1.00 0.00 O ATOM 367 CB PRO A 28 4.954 6.764 -15.509 1.00 0.00 C ATOM 368 CG PRO A 28 3.496 7.056 -15.417 1.00 0.00 C ATOM 369 CD PRO A 28 3.154 7.846 -16.650 1.00 0.00 C ATOM 0 HA PRO A 28 6.217 6.951 -17.312 1.00 0.00 H new ATOM 0 HB2 PRO A 28 5.211 5.855 -14.966 1.00 0.00 H new ATOM 0 HB3 PRO A 28 5.547 7.571 -15.078 1.00 0.00 H new ATOM 0 HG2 PRO A 28 2.916 6.135 -15.370 1.00 0.00 H new ATOM 0 HG3 PRO A 28 3.268 7.623 -14.514 1.00 0.00 H new ATOM 0 HD2 PRO A 28 2.141 7.636 -16.994 1.00 0.00 H new ATOM 0 HD3 PRO A 28 3.213 8.919 -16.469 1.00 0.00 H new ATOM 377 N THR A 29 4.289 4.831 -18.360 1.00 0.00 N ATOM 378 CA THR A 29 4.134 3.462 -18.837 1.00 0.00 C ATOM 379 C THR A 29 4.592 3.330 -20.285 1.00 0.00 C ATOM 380 O THR A 29 5.470 2.525 -20.598 1.00 0.00 O ATOM 381 CB THR A 29 2.672 2.991 -18.728 1.00 0.00 C ATOM 382 OG1 THR A 29 2.218 3.109 -17.375 1.00 0.00 O ATOM 383 CG2 THR A 29 2.532 1.549 -19.191 1.00 0.00 C ATOM 0 H THR A 29 3.673 5.507 -18.811 1.00 0.00 H new ATOM 0 HA THR A 29 4.758 2.833 -18.202 1.00 0.00 H new ATOM 0 HB THR A 29 2.061 3.624 -19.372 1.00 0.00 H new ATOM 0 HG1 THR A 29 1.287 2.809 -17.315 1.00 0.00 H new ATOM 0 HG21 THR A 29 1.491 1.239 -19.105 1.00 0.00 H new ATOM 0 HG22 THR A 29 2.850 1.468 -20.230 1.00 0.00 H new ATOM 0 HG23 THR A 29 3.155 0.905 -18.570 1.00 0.00 H new ATOM 391 N CYS A 30 3.993 4.125 -21.165 1.00 0.00 N ATOM 392 CA CYS A 30 4.340 4.097 -22.581 1.00 0.00 C ATOM 393 C CYS A 30 5.212 5.293 -22.951 1.00 0.00 C ATOM 394 O CYS A 30 6.044 5.212 -23.855 1.00 0.00 O ATOM 395 CB CYS A 30 3.072 4.092 -23.438 1.00 0.00 C ATOM 396 SG CYS A 30 1.800 5.275 -22.890 1.00 0.00 S ATOM 0 H CYS A 30 3.265 4.797 -20.923 1.00 0.00 H new ATOM 0 HA CYS A 30 4.905 3.185 -22.773 1.00 0.00 H new ATOM 0 HB2 CYS A 30 3.343 4.318 -24.470 1.00 0.00 H new ATOM 0 HB3 CYS A 30 2.646 3.089 -23.432 1.00 0.00 H new ATOM 0 HG CYS A 30 0.933 4.663 -22.139 1.00 0.00 H new ATOM 401 N ASN A 31 5.016 6.402 -22.246 1.00 0.00 N ATOM 402 CA ASN A 31 5.785 7.616 -22.500 1.00 0.00 C ATOM 403 C ASN A 31 5.309 8.303 -23.776 1.00 0.00 C ATOM 404 O ASN A 31 6.114 8.676 -24.631 1.00 0.00 O ATOM 405 CB ASN A 31 7.275 7.287 -22.610 1.00 0.00 C ATOM 406 CG ASN A 31 7.729 6.301 -21.551 1.00 0.00 C ATOM 407 OD1 ASN A 31 8.463 5.277 -21.971 1.00 0.00 O flip ATOM 408 ND2 ASN A 31 7.423 6.458 -20.368 1.00 0.00 N flip ATOM 0 H ASN A 31 4.332 6.486 -21.494 1.00 0.00 H new ATOM 0 HA ASN A 31 5.631 8.296 -21.662 1.00 0.00 H new ATOM 0 HB2 ASN A 31 7.481 6.876 -23.598 1.00 0.00 H new ATOM 0 HB3 ASN A 31 7.855 8.206 -22.520 1.00 0.00 H new ATOM 0 HD21 ASN A 31 6.857 7.260 -20.090 1.00 0.00 H new ATOM 0 HD22 ASN A 31 7.736 5.786 -19.667 1.00 0.00 H new ATOM 415 N VAL A 32 3.996 8.469 -23.899 1.00 0.00 N ATOM 416 CA VAL A 32 3.413 9.114 -25.069 1.00 0.00 C ATOM 417 C VAL A 32 2.035 9.686 -24.752 1.00 0.00 C ATOM 418 O VAL A 32 1.085 8.944 -24.504 1.00 0.00 O ATOM 419 CB VAL A 32 3.289 8.130 -26.248 1.00 0.00 C ATOM 420 CG1 VAL A 32 4.664 7.766 -26.787 1.00 0.00 C ATOM 421 CG2 VAL A 32 2.526 6.884 -25.824 1.00 0.00 C ATOM 0 H VAL A 32 3.316 8.165 -23.202 1.00 0.00 H new ATOM 0 HA VAL A 32 4.084 9.925 -25.351 1.00 0.00 H new ATOM 0 HB VAL A 32 2.729 8.616 -27.047 1.00 0.00 H new ATOM 0 HG11 VAL A 32 4.556 7.070 -27.619 1.00 0.00 H new ATOM 0 HG12 VAL A 32 5.170 8.668 -27.131 1.00 0.00 H new ATOM 0 HG13 VAL A 32 5.252 7.299 -25.997 1.00 0.00 H new ATOM 0 HG21 VAL A 32 2.448 6.200 -26.669 1.00 0.00 H new ATOM 0 HG22 VAL A 32 3.056 6.393 -25.008 1.00 0.00 H new ATOM 0 HG23 VAL A 32 1.527 7.165 -25.491 1.00 0.00 H new ATOM 431 N VAL A 33 1.935 11.011 -24.763 1.00 0.00 N ATOM 432 CA VAL A 33 0.673 11.685 -24.479 1.00 0.00 C ATOM 433 C VAL A 33 0.769 13.178 -24.769 1.00 0.00 C ATOM 434 O VAL A 33 1.787 13.662 -25.267 1.00 0.00 O ATOM 435 CB VAL A 33 0.248 11.484 -23.012 1.00 0.00 C ATOM 436 CG1 VAL A 33 -0.540 10.192 -22.856 1.00 0.00 C ATOM 437 CG2 VAL A 33 1.465 11.488 -22.100 1.00 0.00 C ATOM 0 H VAL A 33 2.712 11.639 -24.965 1.00 0.00 H new ATOM 0 HA VAL A 33 -0.078 11.239 -25.132 1.00 0.00 H new ATOM 0 HB VAL A 33 -0.398 12.313 -22.723 1.00 0.00 H new ATOM 0 HG11 VAL A 33 -0.831 10.067 -21.813 1.00 0.00 H new ATOM 0 HG12 VAL A 33 -1.433 10.233 -23.480 1.00 0.00 H new ATOM 0 HG13 VAL A 33 0.079 9.349 -23.163 1.00 0.00 H new ATOM 0 HG21 VAL A 33 1.146 11.345 -21.067 1.00 0.00 H new ATOM 0 HG22 VAL A 33 2.138 10.680 -22.387 1.00 0.00 H new ATOM 0 HG23 VAL A 33 1.984 12.442 -22.190 1.00 0.00 H new ATOM 447 N THR A 34 -0.297 13.907 -24.453 1.00 0.00 N ATOM 448 CA THR A 34 -0.334 15.346 -24.679 1.00 0.00 C ATOM 449 C THR A 34 1.009 15.989 -24.350 1.00 0.00 C ATOM 450 O THR A 34 1.820 15.416 -23.622 1.00 0.00 O ATOM 451 CB THR A 34 -1.433 16.020 -23.837 1.00 0.00 C ATOM 452 OG1 THR A 34 -2.680 15.342 -24.028 1.00 0.00 O ATOM 453 CG2 THR A 34 -1.583 17.485 -24.215 1.00 0.00 C ATOM 0 H THR A 34 -1.147 13.523 -24.039 1.00 0.00 H new ATOM 0 HA THR A 34 -0.556 15.494 -25.736 1.00 0.00 H new ATOM 0 HB THR A 34 -1.144 15.961 -22.788 1.00 0.00 H new ATOM 0 HG1 THR A 34 -3.417 15.932 -23.765 1.00 0.00 H new ATOM 0 HG21 THR A 34 -2.365 17.939 -23.607 1.00 0.00 H new ATOM 0 HG22 THR A 34 -0.640 18.004 -24.041 1.00 0.00 H new ATOM 0 HG23 THR A 34 -1.851 17.563 -25.269 1.00 0.00 H new ATOM 461 N ARG A 35 1.236 17.182 -24.889 1.00 0.00 N ATOM 462 CA ARG A 35 2.481 17.903 -24.652 1.00 0.00 C ATOM 463 C ARG A 35 2.677 18.176 -23.163 1.00 0.00 C ATOM 464 O ARG A 35 3.634 17.698 -22.554 1.00 0.00 O ATOM 465 CB ARG A 35 2.488 19.221 -25.428 1.00 0.00 C ATOM 466 CG ARG A 35 2.604 19.041 -26.933 1.00 0.00 C ATOM 467 CD ARG A 35 3.121 20.302 -27.607 1.00 0.00 C ATOM 468 NE ARG A 35 4.539 20.525 -27.336 1.00 0.00 N ATOM 469 CZ ARG A 35 5.515 19.834 -27.914 1.00 0.00 C ATOM 470 NH1 ARG A 35 5.228 18.881 -28.790 1.00 0.00 N ATOM 471 NH2 ARG A 35 6.781 20.095 -27.615 1.00 0.00 N ATOM 0 H ARG A 35 0.574 17.670 -25.493 1.00 0.00 H new ATOM 0 HA ARG A 35 3.304 17.279 -25.001 1.00 0.00 H new ATOM 0 HB2 ARG A 35 1.572 19.769 -25.206 1.00 0.00 H new ATOM 0 HB3 ARG A 35 3.319 19.834 -25.079 1.00 0.00 H new ATOM 0 HG2 ARG A 35 3.275 18.210 -27.150 1.00 0.00 H new ATOM 0 HG3 ARG A 35 1.629 18.780 -27.345 1.00 0.00 H new ATOM 0 HD2 ARG A 35 2.965 20.228 -28.683 1.00 0.00 H new ATOM 0 HD3 ARG A 35 2.546 21.160 -27.260 1.00 0.00 H new ATOM 0 HE ARG A 35 4.794 21.251 -26.666 1.00 0.00 H new ATOM 0 HH11 ARG A 35 4.256 18.677 -29.021 1.00 0.00 H new ATOM 0 HH12 ARG A 35 5.979 18.352 -29.232 1.00 0.00 H new ATOM 0 HH21 ARG A 35 7.005 20.827 -26.941 1.00 0.00 H new ATOM 0 HH22 ARG A 35 7.530 19.564 -28.059 1.00 0.00 H new ATOM 485 N LYS A 36 1.763 18.947 -22.584 1.00 0.00 N ATOM 486 CA LYS A 36 1.833 19.284 -21.167 1.00 0.00 C ATOM 487 C LYS A 36 1.626 18.045 -20.302 1.00 0.00 C ATOM 488 O LYS A 36 2.133 17.964 -19.183 1.00 0.00 O ATOM 489 CB LYS A 36 0.783 20.342 -20.821 1.00 0.00 C ATOM 490 CG LYS A 36 1.071 21.706 -21.425 1.00 0.00 C ATOM 491 CD LYS A 36 1.906 22.565 -20.490 1.00 0.00 C ATOM 492 CE LYS A 36 2.516 23.752 -21.219 1.00 0.00 C ATOM 493 NZ LYS A 36 1.501 24.802 -21.514 1.00 0.00 N ATOM 0 H LYS A 36 0.965 19.350 -23.074 1.00 0.00 H new ATOM 0 HA LYS A 36 2.826 19.686 -20.963 1.00 0.00 H new ATOM 0 HB2 LYS A 36 -0.193 20.000 -21.166 1.00 0.00 H new ATOM 0 HB3 LYS A 36 0.721 20.440 -19.737 1.00 0.00 H new ATOM 0 HG2 LYS A 36 1.596 21.582 -22.372 1.00 0.00 H new ATOM 0 HG3 LYS A 36 0.132 22.213 -21.645 1.00 0.00 H new ATOM 0 HD2 LYS A 36 1.284 22.922 -19.669 1.00 0.00 H new ATOM 0 HD3 LYS A 36 2.699 21.960 -20.050 1.00 0.00 H new ATOM 0 HE2 LYS A 36 3.315 24.179 -20.613 1.00 0.00 H new ATOM 0 HE3 LYS A 36 2.969 23.413 -22.150 1.00 0.00 H new ATOM 0 HZ1 LYS A 36 1.956 25.594 -22.011 1.00 0.00 H new ATOM 0 HZ2 LYS A 36 0.751 24.402 -22.113 1.00 0.00 H new ATOM 0 HZ3 LYS A 36 1.087 25.144 -20.624 1.00 0.00 H new ATOM 507 N THR A 37 0.878 17.080 -20.828 1.00 0.00 N ATOM 508 CA THR A 37 0.604 15.845 -20.105 1.00 0.00 C ATOM 509 C THR A 37 -0.138 16.123 -18.803 1.00 0.00 C ATOM 510 O THR A 37 0.063 15.434 -17.802 1.00 0.00 O ATOM 511 CB THR A 37 1.903 15.079 -19.789 1.00 0.00 C ATOM 512 OG1 THR A 37 2.535 15.642 -18.634 1.00 0.00 O ATOM 513 CG2 THR A 37 2.860 15.126 -20.971 1.00 0.00 C ATOM 0 H THR A 37 0.451 17.130 -21.753 1.00 0.00 H new ATOM 0 HA THR A 37 -0.022 15.232 -20.753 1.00 0.00 H new ATOM 0 HB THR A 37 1.646 14.038 -19.591 1.00 0.00 H new ATOM 0 HG1 THR A 37 2.806 16.564 -18.826 1.00 0.00 H new ATOM 0 HG21 THR A 37 3.770 14.579 -20.725 1.00 0.00 H new ATOM 0 HG22 THR A 37 2.387 14.670 -21.841 1.00 0.00 H new ATOM 0 HG23 THR A 37 3.110 16.163 -21.196 1.00 0.00 H new ATOM 521 N LEU A 38 -0.996 17.137 -18.821 1.00 0.00 N ATOM 522 CA LEU A 38 -1.769 17.507 -17.641 1.00 0.00 C ATOM 523 C LEU A 38 -3.167 16.898 -17.693 1.00 0.00 C ATOM 524 O LEU A 38 -3.569 16.162 -16.792 1.00 0.00 O ATOM 525 CB LEU A 38 -1.867 19.029 -17.527 1.00 0.00 C ATOM 526 CG LEU A 38 -0.821 19.705 -16.641 1.00 0.00 C ATOM 527 CD1 LEU A 38 -1.017 19.307 -15.186 1.00 0.00 C ATOM 528 CD2 LEU A 38 0.583 19.350 -17.108 1.00 0.00 C ATOM 0 H LEU A 38 -1.174 17.718 -19.640 1.00 0.00 H new ATOM 0 HA LEU A 38 -1.255 17.116 -16.763 1.00 0.00 H new ATOM 0 HB2 LEU A 38 -1.795 19.454 -18.528 1.00 0.00 H new ATOM 0 HB3 LEU A 38 -2.856 19.282 -17.144 1.00 0.00 H new ATOM 0 HG LEU A 38 -0.947 20.785 -16.722 1.00 0.00 H new ATOM 0 HD11 LEU A 38 -0.263 19.798 -14.570 1.00 0.00 H new ATOM 0 HD12 LEU A 38 -2.010 19.612 -14.856 1.00 0.00 H new ATOM 0 HD13 LEU A 38 -0.918 18.226 -15.088 1.00 0.00 H new ATOM 0 HD21 LEU A 38 1.315 19.840 -16.466 1.00 0.00 H new ATOM 0 HD22 LEU A 38 0.721 18.270 -17.057 1.00 0.00 H new ATOM 0 HD23 LEU A 38 0.720 19.685 -18.136 1.00 0.00 H new ATOM 540 N VAL A 39 -3.903 17.209 -18.756 1.00 0.00 N ATOM 541 CA VAL A 39 -5.254 16.690 -18.928 1.00 0.00 C ATOM 542 C VAL A 39 -5.243 15.368 -19.688 1.00 0.00 C ATOM 543 O VAL A 39 -6.061 14.486 -19.432 1.00 0.00 O ATOM 544 CB VAL A 39 -6.149 17.694 -19.679 1.00 0.00 C ATOM 545 CG1 VAL A 39 -6.487 18.879 -18.788 1.00 0.00 C ATOM 546 CG2 VAL A 39 -5.472 18.155 -20.961 1.00 0.00 C ATOM 0 H VAL A 39 -3.586 17.818 -19.510 1.00 0.00 H new ATOM 0 HA VAL A 39 -5.660 16.528 -17.930 1.00 0.00 H new ATOM 0 HB VAL A 39 -7.080 17.195 -19.946 1.00 0.00 H new ATOM 0 HG11 VAL A 39 -7.120 19.577 -19.336 1.00 0.00 H new ATOM 0 HG12 VAL A 39 -7.016 18.529 -17.902 1.00 0.00 H new ATOM 0 HG13 VAL A 39 -5.568 19.382 -18.487 1.00 0.00 H new ATOM 0 HG21 VAL A 39 -6.118 18.864 -21.479 1.00 0.00 H new ATOM 0 HG22 VAL A 39 -4.525 18.637 -20.719 1.00 0.00 H new ATOM 0 HG23 VAL A 39 -5.287 17.295 -21.605 1.00 0.00 H new ATOM 556 N GLY A 40 -4.309 15.238 -20.625 1.00 0.00 N ATOM 557 CA GLY A 40 -4.208 14.021 -21.408 1.00 0.00 C ATOM 558 C GLY A 40 -3.590 12.878 -20.627 1.00 0.00 C ATOM 559 O GLY A 40 -4.011 11.728 -20.756 1.00 0.00 O ATOM 0 H GLY A 40 -3.620 15.954 -20.856 1.00 0.00 H new ATOM 0 HA2 GLY A 40 -5.201 13.729 -21.749 1.00 0.00 H new ATOM 0 HA3 GLY A 40 -3.609 14.214 -22.298 1.00 0.00 H new ATOM 563 N LEU A 41 -2.586 13.194 -19.815 1.00 0.00 N ATOM 564 CA LEU A 41 -1.907 12.184 -19.011 1.00 0.00 C ATOM 565 C LEU A 41 -2.912 11.340 -18.234 1.00 0.00 C ATOM 566 O LEU A 41 -2.929 10.114 -18.348 1.00 0.00 O ATOM 567 CB LEU A 41 -0.928 12.850 -18.042 1.00 0.00 C ATOM 568 CG LEU A 41 -0.244 11.924 -17.036 1.00 0.00 C ATOM 569 CD1 LEU A 41 0.640 10.916 -17.753 1.00 0.00 C ATOM 570 CD2 LEU A 41 0.568 12.731 -16.034 1.00 0.00 C ATOM 0 H LEU A 41 -2.225 14.141 -19.696 1.00 0.00 H new ATOM 0 HA LEU A 41 -1.355 11.529 -19.685 1.00 0.00 H new ATOM 0 HB2 LEU A 41 -0.157 13.353 -18.625 1.00 0.00 H new ATOM 0 HB3 LEU A 41 -1.464 13.622 -17.489 1.00 0.00 H new ATOM 0 HG LEU A 41 -1.015 11.378 -16.492 1.00 0.00 H new ATOM 0 HD11 LEU A 41 1.118 10.266 -17.021 1.00 0.00 H new ATOM 0 HD12 LEU A 41 0.032 10.315 -18.429 1.00 0.00 H new ATOM 0 HD13 LEU A 41 1.404 11.443 -18.324 1.00 0.00 H new ATOM 0 HD21 LEU A 41 1.048 12.055 -15.326 1.00 0.00 H new ATOM 0 HD22 LEU A 41 1.330 13.305 -16.561 1.00 0.00 H new ATOM 0 HD23 LEU A 41 -0.091 13.412 -15.496 1.00 0.00 H new ATOM 582 N LYS A 42 -3.751 12.003 -17.446 1.00 0.00 N ATOM 583 CA LYS A 42 -4.763 11.316 -16.653 1.00 0.00 C ATOM 584 C LYS A 42 -5.804 10.657 -17.552 1.00 0.00 C ATOM 585 O LYS A 42 -5.960 9.435 -17.548 1.00 0.00 O ATOM 586 CB LYS A 42 -5.446 12.297 -15.697 1.00 0.00 C ATOM 587 CG LYS A 42 -4.486 12.980 -14.738 1.00 0.00 C ATOM 588 CD LYS A 42 -5.022 14.324 -14.276 1.00 0.00 C ATOM 589 CE LYS A 42 -4.153 14.924 -13.181 1.00 0.00 C ATOM 590 NZ LYS A 42 -4.455 14.334 -11.847 1.00 0.00 N ATOM 0 H LYS A 42 -3.750 13.017 -17.339 1.00 0.00 H new ATOM 0 HA LYS A 42 -4.267 10.539 -16.072 1.00 0.00 H new ATOM 0 HB2 LYS A 42 -5.966 13.057 -16.280 1.00 0.00 H new ATOM 0 HB3 LYS A 42 -6.203 11.763 -15.122 1.00 0.00 H new ATOM 0 HG2 LYS A 42 -4.316 12.338 -13.873 1.00 0.00 H new ATOM 0 HG3 LYS A 42 -3.521 13.120 -15.226 1.00 0.00 H new ATOM 0 HD2 LYS A 42 -5.067 15.009 -15.122 1.00 0.00 H new ATOM 0 HD3 LYS A 42 -6.041 14.204 -13.908 1.00 0.00 H new ATOM 0 HE2 LYS A 42 -3.102 14.761 -13.421 1.00 0.00 H new ATOM 0 HE3 LYS A 42 -4.308 16.002 -13.145 1.00 0.00 H new ATOM 0 HZ1 LYS A 42 -3.842 14.769 -11.128 1.00 0.00 H new ATOM 0 HZ2 LYS A 42 -5.451 14.512 -11.606 1.00 0.00 H new ATOM 0 HZ3 LYS A 42 -4.283 13.309 -11.874 1.00 0.00 H new ATOM 604 N LYS A 43 -6.514 11.473 -18.323 1.00 0.00 N ATOM 605 CA LYS A 43 -7.539 10.970 -19.230 1.00 0.00 C ATOM 606 C LYS A 43 -7.004 9.812 -20.067 1.00 0.00 C ATOM 607 O LYS A 43 -7.770 8.981 -20.556 1.00 0.00 O ATOM 608 CB LYS A 43 -8.031 12.092 -20.148 1.00 0.00 C ATOM 609 CG LYS A 43 -9.105 12.964 -19.521 1.00 0.00 C ATOM 610 CD LYS A 43 -9.110 14.360 -20.121 1.00 0.00 C ATOM 611 CE LYS A 43 -9.706 14.363 -21.520 1.00 0.00 C ATOM 612 NZ LYS A 43 -11.189 14.230 -21.491 1.00 0.00 N ATOM 0 H LYS A 43 -6.398 12.486 -18.338 1.00 0.00 H new ATOM 0 HA LYS A 43 -8.373 10.607 -18.630 1.00 0.00 H new ATOM 0 HB2 LYS A 43 -7.184 12.718 -20.428 1.00 0.00 H new ATOM 0 HB3 LYS A 43 -8.421 11.654 -21.067 1.00 0.00 H new ATOM 0 HG2 LYS A 43 -10.081 12.501 -19.666 1.00 0.00 H new ATOM 0 HG3 LYS A 43 -8.940 13.030 -18.446 1.00 0.00 H new ATOM 0 HD2 LYS A 43 -9.681 15.031 -19.479 1.00 0.00 H new ATOM 0 HD3 LYS A 43 -8.091 14.745 -20.158 1.00 0.00 H new ATOM 0 HE2 LYS A 43 -9.434 15.288 -22.029 1.00 0.00 H new ATOM 0 HE3 LYS A 43 -9.279 13.544 -22.098 1.00 0.00 H new ATOM 0 HZ1 LYS A 43 -11.570 14.388 -22.445 1.00 0.00 H new ATOM 0 HZ2 LYS A 43 -11.446 13.275 -21.170 1.00 0.00 H new ATOM 0 HZ3 LYS A 43 -11.588 14.934 -20.838 1.00 0.00 H new ATOM 626 N HIS A 44 -5.686 9.762 -20.226 1.00 0.00 N ATOM 627 CA HIS A 44 -5.049 8.704 -21.002 1.00 0.00 C ATOM 628 C HIS A 44 -4.825 7.461 -20.145 1.00 0.00 C ATOM 629 O HIS A 44 -5.436 6.418 -20.375 1.00 0.00 O ATOM 630 CB HIS A 44 -3.716 9.191 -21.571 1.00 0.00 C ATOM 631 CG HIS A 44 -2.837 8.085 -22.068 1.00 0.00 C ATOM 632 ND1 HIS A 44 -2.656 7.811 -23.407 1.00 0.00 N ATOM 633 CD2 HIS A 44 -2.083 7.184 -21.396 1.00 0.00 C ATOM 634 CE1 HIS A 44 -1.832 6.787 -23.537 1.00 0.00 C ATOM 635 NE2 HIS A 44 -1.469 6.388 -22.331 1.00 0.00 N ATOM 0 H HIS A 44 -5.038 10.442 -19.828 1.00 0.00 H new ATOM 0 HA HIS A 44 -5.713 8.442 -21.826 1.00 0.00 H new ATOM 0 HB2 HIS A 44 -3.911 9.884 -22.389 1.00 0.00 H new ATOM 0 HB3 HIS A 44 -3.184 9.749 -20.801 1.00 0.00 H new ATOM 0 HD2 HIS A 44 -1.983 7.106 -20.323 1.00 0.00 H new ATOM 0 HE1 HIS A 44 -1.510 6.350 -24.471 1.00 0.00 H new ATOM 0 HE2 HIS A 44 -0.836 5.615 -22.128 1.00 0.00 H new ATOM 643 N MET A 45 -3.945 7.581 -19.156 1.00 0.00 N ATOM 644 CA MET A 45 -3.641 6.467 -18.265 1.00 0.00 C ATOM 645 C MET A 45 -4.902 5.676 -17.935 1.00 0.00 C ATOM 646 O MET A 45 -4.835 4.488 -17.621 1.00 0.00 O ATOM 647 CB MET A 45 -2.994 6.979 -16.976 1.00 0.00 C ATOM 648 CG MET A 45 -3.989 7.567 -15.989 1.00 0.00 C ATOM 649 SD MET A 45 -3.254 7.897 -14.376 1.00 0.00 S ATOM 650 CE MET A 45 -2.103 9.205 -14.789 1.00 0.00 C ATOM 0 H MET A 45 -3.430 8.438 -18.952 1.00 0.00 H new ATOM 0 HA MET A 45 -2.942 5.805 -18.776 1.00 0.00 H new ATOM 0 HB2 MET A 45 -2.460 6.159 -16.496 1.00 0.00 H new ATOM 0 HB3 MET A 45 -2.253 7.737 -17.228 1.00 0.00 H new ATOM 0 HG2 MET A 45 -4.394 8.494 -16.396 1.00 0.00 H new ATOM 0 HG3 MET A 45 -4.826 6.879 -15.869 1.00 0.00 H new ATOM 0 HE1 MET A 45 -1.084 8.862 -14.612 1.00 0.00 H new ATOM 0 HE2 MET A 45 -2.218 9.473 -15.839 1.00 0.00 H new ATOM 0 HE3 MET A 45 -2.305 10.077 -14.168 1.00 0.00 H new ATOM 660 N GLU A 46 -6.050 6.342 -18.008 1.00 0.00 N ATOM 661 CA GLU A 46 -7.326 5.699 -17.715 1.00 0.00 C ATOM 662 C GLU A 46 -7.455 4.378 -18.468 1.00 0.00 C ATOM 663 O GLU A 46 -7.843 3.360 -17.895 1.00 0.00 O ATOM 664 CB GLU A 46 -8.486 6.626 -18.086 1.00 0.00 C ATOM 665 CG GLU A 46 -8.403 7.996 -17.435 1.00 0.00 C ATOM 666 CD GLU A 46 -9.765 8.547 -17.059 1.00 0.00 C ATOM 667 OE1 GLU A 46 -10.448 7.919 -16.223 1.00 0.00 O ATOM 668 OE2 GLU A 46 -10.148 9.605 -17.601 1.00 0.00 O ATOM 0 H GLU A 46 -6.123 7.326 -18.267 1.00 0.00 H new ATOM 0 HA GLU A 46 -7.363 5.492 -16.645 1.00 0.00 H new ATOM 0 HB2 GLU A 46 -8.510 6.749 -19.169 1.00 0.00 H new ATOM 0 HB3 GLU A 46 -9.425 6.153 -17.798 1.00 0.00 H new ATOM 0 HG2 GLU A 46 -7.782 7.933 -16.542 1.00 0.00 H new ATOM 0 HG3 GLU A 46 -7.911 8.689 -18.117 1.00 0.00 H new ATOM 675 N VAL A 47 -7.126 4.403 -19.756 1.00 0.00 N ATOM 676 CA VAL A 47 -7.205 3.208 -20.588 1.00 0.00 C ATOM 677 C VAL A 47 -5.851 2.514 -20.681 1.00 0.00 C ATOM 678 O VAL A 47 -5.772 1.286 -20.733 1.00 0.00 O ATOM 679 CB VAL A 47 -7.695 3.545 -22.008 1.00 0.00 C ATOM 680 CG1 VAL A 47 -9.096 4.137 -21.964 1.00 0.00 C ATOM 681 CG2 VAL A 47 -6.727 4.496 -22.695 1.00 0.00 C ATOM 0 H VAL A 47 -6.802 5.237 -20.246 1.00 0.00 H new ATOM 0 HA VAL A 47 -7.922 2.538 -20.114 1.00 0.00 H new ATOM 0 HB VAL A 47 -7.734 2.623 -22.587 1.00 0.00 H new ATOM 0 HG11 VAL A 47 -9.425 4.369 -22.977 1.00 0.00 H new ATOM 0 HG12 VAL A 47 -9.781 3.418 -21.516 1.00 0.00 H new ATOM 0 HG13 VAL A 47 -9.087 5.049 -21.368 1.00 0.00 H new ATOM 0 HG21 VAL A 47 -7.090 4.723 -23.698 1.00 0.00 H new ATOM 0 HG22 VAL A 47 -6.652 5.418 -22.119 1.00 0.00 H new ATOM 0 HG23 VAL A 47 -5.744 4.029 -22.762 1.00 0.00 H new ATOM 691 N CYS A 48 -4.785 3.308 -20.700 1.00 0.00 N ATOM 692 CA CYS A 48 -3.432 2.771 -20.787 1.00 0.00 C ATOM 693 C CYS A 48 -3.300 1.494 -19.962 1.00 0.00 C ATOM 694 O CYS A 48 -2.871 0.458 -20.468 1.00 0.00 O ATOM 695 CB CYS A 48 -2.417 3.809 -20.306 1.00 0.00 C ATOM 696 SG CYS A 48 -0.687 3.393 -20.696 1.00 0.00 S ATOM 0 H CYS A 48 -4.832 4.326 -20.656 1.00 0.00 H new ATOM 0 HA CYS A 48 -3.229 2.531 -21.831 1.00 0.00 H new ATOM 0 HB2 CYS A 48 -2.658 4.772 -20.755 1.00 0.00 H new ATOM 0 HB3 CYS A 48 -2.517 3.926 -19.227 1.00 0.00 H new ATOM 0 HG CYS A 48 0.083 4.387 -20.365 1.00 0.00 H new ATOM 701 N GLN A 49 -3.673 1.578 -18.689 1.00 0.00 N ATOM 702 CA GLN A 49 -3.596 0.429 -17.793 1.00 0.00 C ATOM 703 C GLN A 49 -4.239 -0.800 -18.428 1.00 0.00 C ATOM 704 O GLN A 49 -3.738 -1.916 -18.291 1.00 0.00 O ATOM 705 CB GLN A 49 -4.279 0.747 -16.462 1.00 0.00 C ATOM 706 CG GLN A 49 -3.848 -0.165 -15.324 1.00 0.00 C ATOM 707 CD GLN A 49 -4.463 0.229 -13.996 1.00 0.00 C ATOM 708 OE1 GLN A 49 -4.706 1.407 -13.736 1.00 0.00 O ATOM 709 NE2 GLN A 49 -4.720 -0.759 -13.147 1.00 0.00 N ATOM 0 H GLN A 49 -4.031 2.429 -18.255 1.00 0.00 H new ATOM 0 HA GLN A 49 -2.544 0.212 -17.610 1.00 0.00 H new ATOM 0 HB2 GLN A 49 -4.063 1.780 -16.190 1.00 0.00 H new ATOM 0 HB3 GLN A 49 -5.359 0.670 -16.590 1.00 0.00 H new ATOM 0 HG2 GLN A 49 -4.129 -1.191 -15.560 1.00 0.00 H new ATOM 0 HG3 GLN A 49 -2.762 -0.143 -15.238 1.00 0.00 H new ATOM 0 HE21 GLN A 49 -4.502 -1.722 -13.404 1.00 0.00 H new ATOM 0 HE22 GLN A 49 -5.135 -0.555 -12.238 1.00 0.00 H new ATOM 718 N LYS A 50 -5.352 -0.587 -19.122 1.00 0.00 N ATOM 719 CA LYS A 50 -6.064 -1.677 -19.779 1.00 0.00 C ATOM 720 C LYS A 50 -5.251 -2.234 -20.943 1.00 0.00 C ATOM 721 O LYS A 50 -5.231 -3.444 -21.177 1.00 0.00 O ATOM 722 CB LYS A 50 -7.427 -1.194 -20.279 1.00 0.00 C ATOM 723 CG LYS A 50 -8.420 -0.914 -19.165 1.00 0.00 C ATOM 724 CD LYS A 50 -9.503 0.054 -19.612 1.00 0.00 C ATOM 725 CE LYS A 50 -10.285 0.601 -18.428 1.00 0.00 C ATOM 726 NZ LYS A 50 -11.266 -0.390 -17.906 1.00 0.00 N ATOM 0 H LYS A 50 -5.780 0.331 -19.244 1.00 0.00 H new ATOM 0 HA LYS A 50 -6.213 -2.473 -19.050 1.00 0.00 H new ATOM 0 HB2 LYS A 50 -7.288 -0.287 -20.867 1.00 0.00 H new ATOM 0 HB3 LYS A 50 -7.846 -1.946 -20.948 1.00 0.00 H new ATOM 0 HG2 LYS A 50 -8.878 -1.849 -18.841 1.00 0.00 H new ATOM 0 HG3 LYS A 50 -7.895 -0.501 -18.304 1.00 0.00 H new ATOM 0 HD2 LYS A 50 -9.051 0.879 -20.163 1.00 0.00 H new ATOM 0 HD3 LYS A 50 -10.184 -0.451 -20.297 1.00 0.00 H new ATOM 0 HE2 LYS A 50 -9.593 0.880 -17.633 1.00 0.00 H new ATOM 0 HE3 LYS A 50 -10.810 1.508 -18.727 1.00 0.00 H new ATOM 0 HZ1 LYS A 50 -11.779 0.021 -17.100 1.00 0.00 H new ATOM 0 HZ2 LYS A 50 -11.942 -0.638 -18.656 1.00 0.00 H new ATOM 0 HZ3 LYS A 50 -10.763 -1.246 -17.597 1.00 0.00 H new ATOM 740 N LEU A 51 -4.581 -1.347 -21.670 1.00 0.00 N ATOM 741 CA LEU A 51 -3.765 -1.750 -22.809 1.00 0.00 C ATOM 742 C LEU A 51 -2.601 -2.628 -22.362 1.00 0.00 C ATOM 743 O LEU A 51 -2.528 -3.805 -22.715 1.00 0.00 O ATOM 744 CB LEU A 51 -3.236 -0.518 -23.545 1.00 0.00 C ATOM 745 CG LEU A 51 -4.168 0.089 -24.595 1.00 0.00 C ATOM 746 CD1 LEU A 51 -3.619 1.418 -25.091 1.00 0.00 C ATOM 747 CD2 LEU A 51 -4.364 -0.876 -25.755 1.00 0.00 C ATOM 0 H LEU A 51 -4.587 -0.343 -21.490 1.00 0.00 H new ATOM 0 HA LEU A 51 -4.393 -2.328 -23.487 1.00 0.00 H new ATOM 0 HB2 LEU A 51 -3.004 0.250 -22.807 1.00 0.00 H new ATOM 0 HB3 LEU A 51 -2.298 -0.785 -24.032 1.00 0.00 H new ATOM 0 HG LEU A 51 -5.138 0.270 -24.132 1.00 0.00 H new ATOM 0 HD11 LEU A 51 -4.295 1.835 -25.837 1.00 0.00 H new ATOM 0 HD12 LEU A 51 -3.531 2.110 -24.254 1.00 0.00 H new ATOM 0 HD13 LEU A 51 -2.637 1.262 -25.538 1.00 0.00 H new ATOM 0 HD21 LEU A 51 -5.030 -0.428 -26.493 1.00 0.00 H new ATOM 0 HD22 LEU A 51 -3.400 -1.089 -26.218 1.00 0.00 H new ATOM 0 HD23 LEU A 51 -4.802 -1.803 -25.387 1.00 0.00 H new ATOM 759 N GLN A 52 -1.695 -2.048 -21.581 1.00 0.00 N ATOM 760 CA GLN A 52 -0.536 -2.779 -21.083 1.00 0.00 C ATOM 761 C GLN A 52 -0.919 -4.199 -20.681 1.00 0.00 C ATOM 762 O GLN A 52 -0.153 -5.141 -20.886 1.00 0.00 O ATOM 763 CB GLN A 52 0.082 -2.047 -19.890 1.00 0.00 C ATOM 764 CG GLN A 52 -0.630 -2.320 -18.575 1.00 0.00 C ATOM 765 CD GLN A 52 -0.087 -3.542 -17.860 1.00 0.00 C ATOM 766 OE1 GLN A 52 -0.752 -4.575 -17.782 1.00 0.00 O ATOM 767 NE2 GLN A 52 1.127 -3.430 -17.334 1.00 0.00 N ATOM 0 H GLN A 52 -1.741 -1.075 -21.280 1.00 0.00 H new ATOM 0 HA GLN A 52 0.199 -2.834 -21.886 1.00 0.00 H new ATOM 0 HB2 GLN A 52 1.127 -2.341 -19.796 1.00 0.00 H new ATOM 0 HB3 GLN A 52 0.069 -0.975 -20.085 1.00 0.00 H new ATOM 0 HG2 GLN A 52 -0.532 -1.450 -17.926 1.00 0.00 H new ATOM 0 HG3 GLN A 52 -1.695 -2.458 -18.764 1.00 0.00 H new ATOM 0 HE21 GLN A 52 1.642 -2.554 -17.423 1.00 0.00 H new ATOM 0 HE22 GLN A 52 1.544 -4.220 -16.841 1.00 0.00 H new ATOM 776 N ASP A 53 -2.108 -4.346 -20.108 1.00 0.00 N ATOM 777 CA ASP A 53 -2.594 -5.652 -19.677 1.00 0.00 C ATOM 778 C ASP A 53 -2.847 -6.560 -20.876 1.00 0.00 C ATOM 779 O ASP A 53 -2.405 -7.708 -20.902 1.00 0.00 O ATOM 780 CB ASP A 53 -3.876 -5.498 -18.858 1.00 0.00 C ATOM 781 CG ASP A 53 -4.481 -6.834 -18.473 1.00 0.00 C ATOM 782 OD1 ASP A 53 -3.711 -7.793 -18.254 1.00 0.00 O ATOM 783 OD2 ASP A 53 -5.724 -6.920 -18.389 1.00 0.00 O ATOM 0 H ASP A 53 -2.754 -3.577 -19.931 1.00 0.00 H new ATOM 0 HA ASP A 53 -1.827 -6.110 -19.053 1.00 0.00 H new ATOM 0 HB2 ASP A 53 -3.661 -4.926 -17.955 1.00 0.00 H new ATOM 0 HB3 ASP A 53 -4.604 -4.925 -19.432 1.00 0.00 H new ATOM 788 N ALA A 54 -3.563 -6.038 -21.867 1.00 0.00 N ATOM 789 CA ALA A 54 -3.874 -6.801 -23.069 1.00 0.00 C ATOM 790 C ALA A 54 -2.605 -7.330 -23.727 1.00 0.00 C ATOM 791 O ALA A 54 -2.508 -8.515 -24.050 1.00 0.00 O ATOM 792 CB ALA A 54 -4.662 -5.944 -24.049 1.00 0.00 C ATOM 0 H ALA A 54 -3.938 -5.090 -21.861 1.00 0.00 H new ATOM 0 HA ALA A 54 -4.485 -7.656 -22.779 1.00 0.00 H new ATOM 0 HB1 ALA A 54 -4.887 -6.527 -24.942 1.00 0.00 H new ATOM 0 HB2 ALA A 54 -5.592 -5.620 -23.583 1.00 0.00 H new ATOM 0 HB3 ALA A 54 -4.071 -5.071 -24.325 1.00 0.00 H new ATOM 798 N LEU A 55 -1.634 -6.445 -23.925 1.00 0.00 N ATOM 799 CA LEU A 55 -0.369 -6.823 -24.547 1.00 0.00 C ATOM 800 C LEU A 55 0.447 -7.718 -23.620 1.00 0.00 C ATOM 801 O LEU A 55 1.154 -8.619 -24.072 1.00 0.00 O ATOM 802 CB LEU A 55 0.437 -5.575 -24.909 1.00 0.00 C ATOM 803 CG LEU A 55 0.105 -4.929 -26.255 1.00 0.00 C ATOM 804 CD1 LEU A 55 0.452 -5.869 -27.398 1.00 0.00 C ATOM 805 CD2 LEU A 55 -1.365 -4.538 -26.311 1.00 0.00 C ATOM 0 H LEU A 55 -1.698 -5.461 -23.664 1.00 0.00 H new ATOM 0 HA LEU A 55 -0.592 -7.380 -25.457 1.00 0.00 H new ATOM 0 HB2 LEU A 55 0.289 -4.832 -24.126 1.00 0.00 H new ATOM 0 HB3 LEU A 55 1.495 -5.836 -24.905 1.00 0.00 H new ATOM 0 HG LEU A 55 0.705 -4.025 -26.360 1.00 0.00 H new ATOM 0 HD11 LEU A 55 0.209 -5.392 -28.348 1.00 0.00 H new ATOM 0 HD12 LEU A 55 1.517 -6.099 -27.369 1.00 0.00 H new ATOM 0 HD13 LEU A 55 -0.121 -6.791 -27.298 1.00 0.00 H new ATOM 0 HD21 LEU A 55 -1.583 -4.080 -27.276 1.00 0.00 H new ATOM 0 HD22 LEU A 55 -1.983 -5.427 -26.183 1.00 0.00 H new ATOM 0 HD23 LEU A 55 -1.583 -3.827 -25.514 1.00 0.00 H new ATOM 817 N LYS A 56 0.343 -7.466 -22.319 1.00 0.00 N ATOM 818 CA LYS A 56 1.068 -8.250 -21.327 1.00 0.00 C ATOM 819 C LYS A 56 0.667 -9.720 -21.396 1.00 0.00 C ATOM 820 O LYS A 56 -0.507 -10.062 -21.248 1.00 0.00 O ATOM 821 CB LYS A 56 0.803 -7.704 -19.922 1.00 0.00 C ATOM 822 CG LYS A 56 1.525 -8.467 -18.826 1.00 0.00 C ATOM 823 CD LYS A 56 0.601 -9.454 -18.132 1.00 0.00 C ATOM 824 CE LYS A 56 1.248 -10.043 -16.888 1.00 0.00 C ATOM 825 NZ LYS A 56 0.858 -9.302 -15.656 1.00 0.00 N ATOM 0 H LYS A 56 -0.237 -6.724 -21.927 1.00 0.00 H new ATOM 0 HA LYS A 56 2.133 -8.171 -21.546 1.00 0.00 H new ATOM 0 HB2 LYS A 56 1.106 -6.658 -19.885 1.00 0.00 H new ATOM 0 HB3 LYS A 56 -0.269 -7.732 -19.727 1.00 0.00 H new ATOM 0 HG2 LYS A 56 2.375 -9.000 -19.252 1.00 0.00 H new ATOM 0 HG3 LYS A 56 1.924 -7.764 -18.094 1.00 0.00 H new ATOM 0 HD2 LYS A 56 -0.328 -8.954 -17.858 1.00 0.00 H new ATOM 0 HD3 LYS A 56 0.340 -10.256 -18.822 1.00 0.00 H new ATOM 0 HE2 LYS A 56 0.959 -11.089 -16.789 1.00 0.00 H new ATOM 0 HE3 LYS A 56 2.332 -10.021 -16.997 1.00 0.00 H new ATOM 0 HZ1 LYS A 56 1.320 -9.734 -14.830 1.00 0.00 H new ATOM 0 HZ2 LYS A 56 1.156 -8.309 -15.739 1.00 0.00 H new ATOM 0 HZ3 LYS A 56 -0.174 -9.345 -15.537 1.00 0.00 H new ATOM 839 N CYS A 57 1.649 -10.587 -21.619 1.00 0.00 N ATOM 840 CA CYS A 57 1.400 -12.020 -21.707 1.00 0.00 C ATOM 841 C CYS A 57 1.069 -12.600 -20.334 1.00 0.00 C ATOM 842 O CYS A 57 1.476 -12.058 -19.307 1.00 0.00 O ATOM 843 CB CYS A 57 2.617 -12.736 -22.295 1.00 0.00 C ATOM 844 SG CYS A 57 2.233 -14.337 -23.076 1.00 0.00 S ATOM 0 H CYS A 57 2.626 -10.321 -21.742 1.00 0.00 H new ATOM 0 HA CYS A 57 0.544 -12.175 -22.364 1.00 0.00 H new ATOM 0 HB2 CYS A 57 3.085 -12.086 -23.034 1.00 0.00 H new ATOM 0 HB3 CYS A 57 3.348 -12.896 -21.503 1.00 0.00 H new ATOM 0 HG CYS A 57 3.155 -15.201 -22.771 1.00 0.00 H new ATOM 849 N GLN A 58 0.329 -13.704 -20.327 1.00 0.00 N ATOM 850 CA GLN A 58 -0.056 -14.356 -19.081 1.00 0.00 C ATOM 851 C GLN A 58 0.729 -15.648 -18.877 1.00 0.00 C ATOM 852 O GLN A 58 1.023 -16.035 -17.746 1.00 0.00 O ATOM 853 CB GLN A 58 -1.557 -14.652 -19.078 1.00 0.00 C ATOM 854 CG GLN A 58 -2.422 -13.412 -19.242 1.00 0.00 C ATOM 855 CD GLN A 58 -2.560 -12.622 -17.956 1.00 0.00 C ATOM 856 OE1 GLN A 58 -2.620 -13.193 -16.867 1.00 0.00 O ATOM 857 NE2 GLN A 58 -2.610 -11.301 -18.075 1.00 0.00 N ATOM 0 H GLN A 58 -0.016 -14.165 -21.169 1.00 0.00 H new ATOM 0 HA GLN A 58 0.175 -13.678 -18.259 1.00 0.00 H new ATOM 0 HB2 GLN A 58 -1.783 -15.351 -19.883 1.00 0.00 H new ATOM 0 HB3 GLN A 58 -1.819 -15.147 -18.143 1.00 0.00 H new ATOM 0 HG2 GLN A 58 -1.991 -12.772 -20.012 1.00 0.00 H new ATOM 0 HG3 GLN A 58 -3.412 -13.708 -19.590 1.00 0.00 H new ATOM 0 HE21 GLN A 58 -2.557 -10.870 -18.998 1.00 0.00 H new ATOM 0 HE22 GLN A 58 -2.702 -10.717 -17.244 1.00 0.00 H new ATOM 866 N HIS A 59 1.065 -16.310 -19.979 1.00 0.00 N ATOM 867 CA HIS A 59 1.817 -17.559 -19.921 1.00 0.00 C ATOM 868 C HIS A 59 3.223 -17.322 -19.380 1.00 0.00 C ATOM 869 O HIS A 59 3.726 -18.098 -18.567 1.00 0.00 O ATOM 870 CB HIS A 59 1.893 -18.198 -21.308 1.00 0.00 C ATOM 871 CG HIS A 59 0.575 -18.706 -21.806 1.00 0.00 C ATOM 872 ND1 HIS A 59 -0.202 -19.601 -21.101 1.00 0.00 N ATOM 873 CD2 HIS A 59 -0.103 -18.439 -22.947 1.00 0.00 C ATOM 874 CE1 HIS A 59 -1.300 -19.864 -21.787 1.00 0.00 C ATOM 875 NE2 HIS A 59 -1.265 -19.171 -22.911 1.00 0.00 N ATOM 0 H HIS A 59 0.829 -16.003 -20.923 1.00 0.00 H new ATOM 0 HA HIS A 59 1.296 -18.237 -19.245 1.00 0.00 H new ATOM 0 HB2 HIS A 59 2.282 -17.466 -22.016 1.00 0.00 H new ATOM 0 HB3 HIS A 59 2.604 -19.023 -21.280 1.00 0.00 H new ATOM 0 HD2 HIS A 59 0.211 -17.774 -23.738 1.00 0.00 H new ATOM 0 HE1 HIS A 59 -2.092 -20.532 -21.481 1.00 0.00 H new ATOM 0 HE2 HIS A 59 -1.984 -19.178 -23.635 1.00 0.00 H new ATOM 883 N CYS A 60 3.853 -16.244 -19.835 1.00 0.00 N ATOM 884 CA CYS A 60 5.202 -15.904 -19.398 1.00 0.00 C ATOM 885 C CYS A 60 5.179 -14.727 -18.427 1.00 0.00 C ATOM 886 O CYS A 60 6.092 -14.559 -17.618 1.00 0.00 O ATOM 887 CB CYS A 60 6.082 -15.568 -20.604 1.00 0.00 C ATOM 888 SG CYS A 60 5.683 -13.975 -21.393 1.00 0.00 S ATOM 0 H CYS A 60 3.451 -15.590 -20.507 1.00 0.00 H new ATOM 0 HA CYS A 60 5.619 -16.769 -18.882 1.00 0.00 H new ATOM 0 HB2 CYS A 60 7.125 -15.553 -20.287 1.00 0.00 H new ATOM 0 HB3 CYS A 60 5.985 -16.362 -21.344 1.00 0.00 H new ATOM 0 HG CYS A 60 5.153 -14.190 -22.560 1.00 0.00 H new ATOM 893 N ARG A 61 4.129 -13.917 -18.513 1.00 0.00 N ATOM 894 CA ARG A 61 3.987 -12.756 -17.643 1.00 0.00 C ATOM 895 C ARG A 61 5.064 -11.717 -17.943 1.00 0.00 C ATOM 896 O ARG A 61 5.706 -11.191 -17.033 1.00 0.00 O ATOM 897 CB ARG A 61 4.066 -13.179 -16.175 1.00 0.00 C ATOM 898 CG ARG A 61 3.057 -14.249 -15.795 1.00 0.00 C ATOM 899 CD ARG A 61 1.648 -13.682 -15.714 1.00 0.00 C ATOM 900 NE ARG A 61 0.678 -14.687 -15.286 1.00 0.00 N ATOM 901 CZ ARG A 61 0.441 -14.984 -14.013 1.00 0.00 C ATOM 902 NH1 ARG A 61 1.101 -14.358 -13.049 1.00 0.00 N ATOM 903 NH2 ARG A 61 -0.457 -15.910 -13.703 1.00 0.00 N ATOM 0 H ARG A 61 3.364 -14.043 -19.176 1.00 0.00 H new ATOM 0 HA ARG A 61 3.011 -12.308 -17.833 1.00 0.00 H new ATOM 0 HB2 ARG A 61 5.070 -13.548 -15.965 1.00 0.00 H new ATOM 0 HB3 ARG A 61 3.910 -12.304 -15.544 1.00 0.00 H new ATOM 0 HG2 ARG A 61 3.085 -15.054 -16.529 1.00 0.00 H new ATOM 0 HG3 ARG A 61 3.331 -14.684 -14.834 1.00 0.00 H new ATOM 0 HD2 ARG A 61 1.634 -12.844 -15.017 1.00 0.00 H new ATOM 0 HD3 ARG A 61 1.358 -13.290 -16.689 1.00 0.00 H new ATOM 0 HE ARG A 61 0.154 -15.188 -16.004 1.00 0.00 H new ATOM 0 HH11 ARG A 61 1.793 -13.646 -13.284 1.00 0.00 H new ATOM 0 HH12 ARG A 61 0.917 -14.588 -12.072 1.00 0.00 H new ATOM 0 HH21 ARG A 61 -0.966 -16.395 -14.442 1.00 0.00 H new ATOM 0 HH22 ARG A 61 -0.638 -16.137 -12.725 1.00 0.00 H new ATOM 917 N LYS A 62 5.258 -11.426 -19.225 1.00 0.00 N ATOM 918 CA LYS A 62 6.256 -10.450 -19.646 1.00 0.00 C ATOM 919 C LYS A 62 5.598 -9.270 -20.355 1.00 0.00 C ATOM 920 O LYS A 62 4.972 -9.435 -21.402 1.00 0.00 O ATOM 921 CB LYS A 62 7.282 -11.107 -20.572 1.00 0.00 C ATOM 922 CG LYS A 62 8.622 -10.391 -20.599 1.00 0.00 C ATOM 923 CD LYS A 62 9.735 -11.310 -21.075 1.00 0.00 C ATOM 924 CE LYS A 62 10.209 -12.233 -19.964 1.00 0.00 C ATOM 925 NZ LYS A 62 11.287 -11.610 -19.147 1.00 0.00 N ATOM 0 H LYS A 62 4.737 -11.853 -19.991 1.00 0.00 H new ATOM 0 HA LYS A 62 6.764 -10.079 -18.756 1.00 0.00 H new ATOM 0 HB2 LYS A 62 7.437 -12.139 -20.256 1.00 0.00 H new ATOM 0 HB3 LYS A 62 6.877 -11.141 -21.583 1.00 0.00 H new ATOM 0 HG2 LYS A 62 8.559 -9.524 -21.256 1.00 0.00 H new ATOM 0 HG3 LYS A 62 8.857 -10.019 -19.602 1.00 0.00 H new ATOM 0 HD2 LYS A 62 9.382 -11.905 -21.918 1.00 0.00 H new ATOM 0 HD3 LYS A 62 10.572 -10.713 -21.435 1.00 0.00 H new ATOM 0 HE2 LYS A 62 9.367 -12.489 -19.320 1.00 0.00 H new ATOM 0 HE3 LYS A 62 10.574 -13.165 -20.397 1.00 0.00 H new ATOM 0 HZ1 LYS A 62 11.583 -12.271 -18.400 1.00 0.00 H new ATOM 0 HZ2 LYS A 62 12.101 -11.389 -19.756 1.00 0.00 H new ATOM 0 HZ3 LYS A 62 10.932 -10.734 -18.713 1.00 0.00 H new ATOM 939 N GLN A 63 5.745 -8.082 -19.779 1.00 0.00 N ATOM 940 CA GLN A 63 5.166 -6.876 -20.357 1.00 0.00 C ATOM 941 C GLN A 63 5.752 -6.598 -21.737 1.00 0.00 C ATOM 942 O GLN A 63 6.958 -6.726 -21.948 1.00 0.00 O ATOM 943 CB GLN A 63 5.406 -5.677 -19.437 1.00 0.00 C ATOM 944 CG GLN A 63 4.371 -4.574 -19.592 1.00 0.00 C ATOM 945 CD GLN A 63 4.487 -3.848 -20.918 1.00 0.00 C ATOM 946 OE1 GLN A 63 5.536 -3.292 -21.245 1.00 0.00 O ATOM 947 NE2 GLN A 63 3.407 -3.849 -21.690 1.00 0.00 N ATOM 0 H GLN A 63 6.260 -7.929 -18.912 1.00 0.00 H new ATOM 0 HA GLN A 63 4.093 -7.034 -20.463 1.00 0.00 H new ATOM 0 HB2 GLN A 63 5.408 -6.019 -18.402 1.00 0.00 H new ATOM 0 HB3 GLN A 63 6.395 -5.267 -19.639 1.00 0.00 H new ATOM 0 HG2 GLN A 63 3.373 -5.002 -19.503 1.00 0.00 H new ATOM 0 HG3 GLN A 63 4.484 -3.857 -18.778 1.00 0.00 H new ATOM 0 HE21 GLN A 63 2.559 -4.322 -21.379 1.00 0.00 H new ATOM 0 HE22 GLN A 63 3.426 -3.376 -22.594 1.00 0.00 H new ATOM 956 N PHE A 64 4.891 -6.216 -22.675 1.00 0.00 N ATOM 957 CA PHE A 64 5.324 -5.921 -24.036 1.00 0.00 C ATOM 958 C PHE A 64 4.871 -4.527 -24.461 1.00 0.00 C ATOM 959 O PHE A 64 3.696 -4.179 -24.338 1.00 0.00 O ATOM 960 CB PHE A 64 4.772 -6.967 -25.007 1.00 0.00 C ATOM 961 CG PHE A 64 5.609 -8.211 -25.088 1.00 0.00 C ATOM 962 CD1 PHE A 64 6.680 -8.286 -25.964 1.00 0.00 C ATOM 963 CD2 PHE A 64 5.327 -9.306 -24.287 1.00 0.00 C ATOM 964 CE1 PHE A 64 7.452 -9.430 -26.041 1.00 0.00 C ATOM 965 CE2 PHE A 64 6.095 -10.452 -24.359 1.00 0.00 C ATOM 966 CZ PHE A 64 7.160 -10.514 -25.236 1.00 0.00 C ATOM 0 H PHE A 64 3.890 -6.104 -22.517 1.00 0.00 H new ATOM 0 HA PHE A 64 6.413 -5.952 -24.059 1.00 0.00 H new ATOM 0 HB2 PHE A 64 3.762 -7.238 -24.701 1.00 0.00 H new ATOM 0 HB3 PHE A 64 4.696 -6.525 -26.000 1.00 0.00 H new ATOM 0 HD1 PHE A 64 6.914 -7.441 -26.594 1.00 0.00 H new ATOM 0 HD2 PHE A 64 4.497 -9.263 -23.598 1.00 0.00 H new ATOM 0 HE1 PHE A 64 8.283 -9.476 -26.730 1.00 0.00 H new ATOM 0 HE2 PHE A 64 5.863 -11.299 -23.730 1.00 0.00 H new ATOM 0 HZ PHE A 64 7.763 -11.408 -25.292 1.00 0.00 H new ATOM 976 N LYS A 65 5.811 -3.733 -24.960 1.00 0.00 N ATOM 977 CA LYS A 65 5.511 -2.377 -25.405 1.00 0.00 C ATOM 978 C LYS A 65 5.499 -2.294 -26.928 1.00 0.00 C ATOM 979 O LYS A 65 6.035 -1.352 -27.511 1.00 0.00 O ATOM 980 CB LYS A 65 6.538 -1.394 -24.837 1.00 0.00 C ATOM 981 CG LYS A 65 6.216 0.060 -25.135 1.00 0.00 C ATOM 982 CD LYS A 65 6.764 0.984 -24.060 1.00 0.00 C ATOM 983 CE LYS A 65 6.545 2.446 -24.417 1.00 0.00 C ATOM 984 NZ LYS A 65 7.370 2.862 -25.585 1.00 0.00 N ATOM 0 H LYS A 65 6.788 -4.005 -25.067 1.00 0.00 H new ATOM 0 HA LYS A 65 4.520 -2.111 -25.037 1.00 0.00 H new ATOM 0 HB2 LYS A 65 6.600 -1.530 -23.757 1.00 0.00 H new ATOM 0 HB3 LYS A 65 7.520 -1.631 -25.245 1.00 0.00 H new ATOM 0 HG2 LYS A 65 6.636 0.336 -26.102 1.00 0.00 H new ATOM 0 HG3 LYS A 65 5.136 0.187 -25.209 1.00 0.00 H new ATOM 0 HD2 LYS A 65 6.280 0.764 -23.108 1.00 0.00 H new ATOM 0 HD3 LYS A 65 7.829 0.797 -23.926 1.00 0.00 H new ATOM 0 HE2 LYS A 65 5.491 2.611 -24.640 1.00 0.00 H new ATOM 0 HE3 LYS A 65 6.791 3.070 -23.558 1.00 0.00 H new ATOM 0 HZ1 LYS A 65 7.365 3.899 -25.662 1.00 0.00 H new ATOM 0 HZ2 LYS A 65 8.347 2.529 -25.456 1.00 0.00 H new ATOM 0 HZ3 LYS A 65 6.975 2.449 -26.454 1.00 0.00 H new ATOM 998 N SER A 66 4.883 -3.284 -27.565 1.00 0.00 N ATOM 999 CA SER A 66 4.803 -3.323 -29.021 1.00 0.00 C ATOM 1000 C SER A 66 3.941 -4.493 -29.486 1.00 0.00 C ATOM 1001 O SER A 66 4.279 -5.656 -29.264 1.00 0.00 O ATOM 1002 CB SER A 66 6.204 -3.434 -29.627 1.00 0.00 C ATOM 1003 OG SER A 66 6.911 -4.532 -29.078 1.00 0.00 O ATOM 0 H SER A 66 4.432 -4.070 -27.096 1.00 0.00 H new ATOM 0 HA SER A 66 4.341 -2.396 -29.360 1.00 0.00 H new ATOM 0 HB2 SER A 66 6.128 -3.550 -30.708 1.00 0.00 H new ATOM 0 HB3 SER A 66 6.757 -2.513 -29.444 1.00 0.00 H new ATOM 0 HG SER A 66 6.296 -5.284 -28.945 1.00 0.00 H new ATOM 1009 N LYS A 67 2.826 -4.176 -30.134 1.00 0.00 N ATOM 1010 CA LYS A 67 1.914 -5.198 -30.634 1.00 0.00 C ATOM 1011 C LYS A 67 2.667 -6.256 -31.433 1.00 0.00 C ATOM 1012 O LYS A 67 2.489 -7.454 -31.217 1.00 0.00 O ATOM 1013 CB LYS A 67 0.829 -4.561 -31.505 1.00 0.00 C ATOM 1014 CG LYS A 67 -0.455 -5.370 -31.567 1.00 0.00 C ATOM 1015 CD LYS A 67 -1.555 -4.616 -32.293 1.00 0.00 C ATOM 1016 CE LYS A 67 -2.166 -3.536 -31.413 1.00 0.00 C ATOM 1017 NZ LYS A 67 -3.355 -2.907 -32.051 1.00 0.00 N ATOM 0 H LYS A 67 2.532 -3.218 -30.326 1.00 0.00 H new ATOM 0 HA LYS A 67 1.445 -5.682 -29.777 1.00 0.00 H new ATOM 0 HB2 LYS A 67 0.604 -3.566 -31.120 1.00 0.00 H new ATOM 0 HB3 LYS A 67 1.216 -4.431 -32.516 1.00 0.00 H new ATOM 0 HG2 LYS A 67 -0.266 -6.316 -32.074 1.00 0.00 H new ATOM 0 HG3 LYS A 67 -0.784 -5.610 -30.556 1.00 0.00 H new ATOM 0 HD2 LYS A 67 -1.151 -4.163 -33.198 1.00 0.00 H new ATOM 0 HD3 LYS A 67 -2.331 -5.315 -32.605 1.00 0.00 H new ATOM 0 HE2 LYS A 67 -2.454 -3.968 -30.455 1.00 0.00 H new ATOM 0 HE3 LYS A 67 -1.418 -2.771 -31.205 1.00 0.00 H new ATOM 0 HZ1 LYS A 67 -3.742 -2.177 -31.420 1.00 0.00 H new ATOM 0 HZ2 LYS A 67 -3.075 -2.472 -32.953 1.00 0.00 H new ATOM 0 HZ3 LYS A 67 -4.079 -3.632 -32.226 1.00 0.00 H new ATOM 1031 N ALA A 68 3.511 -5.804 -32.356 1.00 0.00 N ATOM 1032 CA ALA A 68 4.294 -6.712 -33.185 1.00 0.00 C ATOM 1033 C ALA A 68 5.136 -7.650 -32.326 1.00 0.00 C ATOM 1034 O ALA A 68 5.302 -8.825 -32.652 1.00 0.00 O ATOM 1035 CB ALA A 68 5.181 -5.925 -34.137 1.00 0.00 C ATOM 0 H ALA A 68 3.669 -4.815 -32.548 1.00 0.00 H new ATOM 0 HA ALA A 68 3.603 -7.319 -33.770 1.00 0.00 H new ATOM 0 HB1 ALA A 68 5.760 -6.616 -34.750 1.00 0.00 H new ATOM 0 HB2 ALA A 68 4.561 -5.301 -34.781 1.00 0.00 H new ATOM 0 HB3 ALA A 68 5.859 -5.293 -33.564 1.00 0.00 H new ATOM 1041 N GLY A 69 5.668 -7.122 -31.228 1.00 0.00 N ATOM 1042 CA GLY A 69 6.488 -7.926 -30.341 1.00 0.00 C ATOM 1043 C GLY A 69 5.761 -9.156 -29.835 1.00 0.00 C ATOM 1044 O GLY A 69 6.277 -10.271 -29.921 1.00 0.00 O ATOM 0 H GLY A 69 5.546 -6.152 -30.937 1.00 0.00 H new ATOM 0 HA2 GLY A 69 7.393 -8.233 -30.866 1.00 0.00 H new ATOM 0 HA3 GLY A 69 6.803 -7.319 -29.492 1.00 0.00 H new ATOM 1048 N LEU A 70 4.560 -8.955 -29.304 1.00 0.00 N ATOM 1049 CA LEU A 70 3.760 -10.057 -28.780 1.00 0.00 C ATOM 1050 C LEU A 70 3.481 -11.091 -29.866 1.00 0.00 C ATOM 1051 O LEU A 70 3.633 -12.292 -29.647 1.00 0.00 O ATOM 1052 CB LEU A 70 2.442 -9.531 -28.210 1.00 0.00 C ATOM 1053 CG LEU A 70 1.586 -10.546 -27.452 1.00 0.00 C ATOM 1054 CD1 LEU A 70 2.254 -10.934 -26.142 1.00 0.00 C ATOM 1055 CD2 LEU A 70 0.195 -9.985 -27.197 1.00 0.00 C ATOM 0 H LEU A 70 4.118 -8.039 -29.225 1.00 0.00 H new ATOM 0 HA LEU A 70 4.327 -10.538 -27.983 1.00 0.00 H new ATOM 0 HB2 LEU A 70 2.665 -8.701 -27.540 1.00 0.00 H new ATOM 0 HB3 LEU A 70 1.850 -9.127 -29.031 1.00 0.00 H new ATOM 0 HG LEU A 70 1.488 -11.441 -28.066 1.00 0.00 H new ATOM 0 HD11 LEU A 70 1.631 -11.657 -25.616 1.00 0.00 H new ATOM 0 HD12 LEU A 70 3.229 -11.377 -26.348 1.00 0.00 H new ATOM 0 HD13 LEU A 70 2.382 -10.047 -25.522 1.00 0.00 H new ATOM 0 HD21 LEU A 70 -0.401 -10.721 -26.657 1.00 0.00 H new ATOM 0 HD22 LEU A 70 0.273 -9.074 -26.603 1.00 0.00 H new ATOM 0 HD23 LEU A 70 -0.286 -9.757 -28.148 1.00 0.00 H new ATOM 1067 N ASN A 71 3.074 -10.616 -31.039 1.00 0.00 N ATOM 1068 CA ASN A 71 2.775 -11.499 -32.160 1.00 0.00 C ATOM 1069 C ASN A 71 3.875 -12.541 -32.340 1.00 0.00 C ATOM 1070 O ASN A 71 3.623 -13.744 -32.267 1.00 0.00 O ATOM 1071 CB ASN A 71 2.611 -10.687 -33.446 1.00 0.00 C ATOM 1072 CG ASN A 71 1.196 -10.172 -33.628 1.00 0.00 C ATOM 1073 OD1 ASN A 71 0.260 -10.950 -33.815 1.00 0.00 O ATOM 1074 ND2 ASN A 71 1.035 -8.855 -33.575 1.00 0.00 N ATOM 0 H ASN A 71 2.944 -9.624 -31.238 1.00 0.00 H new ATOM 0 HA ASN A 71 1.841 -12.017 -31.943 1.00 0.00 H new ATOM 0 HB2 ASN A 71 3.302 -9.844 -33.431 1.00 0.00 H new ATOM 0 HB3 ASN A 71 2.882 -11.307 -34.301 1.00 0.00 H new ATOM 0 HD21 ASN A 71 0.106 -8.450 -33.691 1.00 0.00 H new ATOM 0 HD22 ASN A 71 1.840 -8.249 -33.418 1.00 0.00 H new ATOM 1081 N TYR A 72 5.095 -12.070 -32.573 1.00 0.00 N ATOM 1082 CA TYR A 72 6.234 -12.961 -32.765 1.00 0.00 C ATOM 1083 C TYR A 72 6.572 -13.699 -31.474 1.00 0.00 C ATOM 1084 O TYR A 72 6.717 -14.922 -31.463 1.00 0.00 O ATOM 1085 CB TYR A 72 7.451 -12.170 -33.247 1.00 0.00 C ATOM 1086 CG TYR A 72 8.422 -12.991 -34.065 1.00 0.00 C ATOM 1087 CD1 TYR A 72 9.419 -13.738 -33.451 1.00 0.00 C ATOM 1088 CD2 TYR A 72 8.342 -13.019 -35.452 1.00 0.00 C ATOM 1089 CE1 TYR A 72 10.309 -14.490 -34.195 1.00 0.00 C ATOM 1090 CE2 TYR A 72 9.227 -13.768 -36.203 1.00 0.00 C ATOM 1091 CZ TYR A 72 10.208 -14.502 -35.570 1.00 0.00 C ATOM 1092 OH TYR A 72 11.092 -15.249 -36.315 1.00 0.00 O ATOM 0 H TYR A 72 5.321 -11.077 -32.634 1.00 0.00 H new ATOM 0 HA TYR A 72 5.964 -13.697 -33.522 1.00 0.00 H new ATOM 0 HB2 TYR A 72 7.111 -11.324 -33.844 1.00 0.00 H new ATOM 0 HB3 TYR A 72 7.973 -11.760 -32.382 1.00 0.00 H new ATOM 0 HD1 TYR A 72 9.500 -13.731 -32.374 1.00 0.00 H new ATOM 0 HD2 TYR A 72 7.575 -12.446 -35.951 1.00 0.00 H new ATOM 0 HE1 TYR A 72 11.079 -15.065 -33.702 1.00 0.00 H new ATOM 0 HE2 TYR A 72 9.151 -13.779 -37.280 1.00 0.00 H new ATOM 0 HH TYR A 72 10.883 -15.149 -37.267 1.00 0.00 H new ATOM 1102 N HIS A 73 6.696 -12.947 -30.385 1.00 0.00 N ATOM 1103 CA HIS A 73 7.016 -13.528 -29.086 1.00 0.00 C ATOM 1104 C HIS A 73 6.217 -14.807 -28.851 1.00 0.00 C ATOM 1105 O HIS A 73 6.785 -15.870 -28.599 1.00 0.00 O ATOM 1106 CB HIS A 73 6.731 -12.523 -27.969 1.00 0.00 C ATOM 1107 CG HIS A 73 6.354 -13.163 -26.669 1.00 0.00 C ATOM 1108 ND1 HIS A 73 7.281 -13.673 -25.784 1.00 0.00 N ATOM 1109 CD2 HIS A 73 5.142 -13.374 -26.104 1.00 0.00 C ATOM 1110 CE1 HIS A 73 6.656 -14.170 -24.733 1.00 0.00 C ATOM 1111 NE2 HIS A 73 5.357 -14.001 -24.902 1.00 0.00 N ATOM 0 H HIS A 73 6.580 -11.934 -30.376 1.00 0.00 H new ATOM 0 HA HIS A 73 8.077 -13.776 -29.079 1.00 0.00 H new ATOM 0 HB2 HIS A 73 7.614 -11.902 -27.816 1.00 0.00 H new ATOM 0 HB3 HIS A 73 5.926 -11.860 -28.285 1.00 0.00 H new ATOM 0 HD1 HIS A 73 8.292 -13.667 -25.920 1.00 0.00 H new ATOM 0 HD2 HIS A 73 4.184 -13.100 -26.521 1.00 0.00 H new ATOM 0 HE1 HIS A 73 7.127 -14.636 -23.880 1.00 0.00 H new ATOM 1119 N THR A 74 4.894 -14.696 -28.935 1.00 0.00 N ATOM 1120 CA THR A 74 4.017 -15.842 -28.730 1.00 0.00 C ATOM 1121 C THR A 74 4.355 -16.972 -29.695 1.00 0.00 C ATOM 1122 O THR A 74 4.638 -18.094 -29.277 1.00 0.00 O ATOM 1123 CB THR A 74 2.537 -15.455 -28.909 1.00 0.00 C ATOM 1124 OG1 THR A 74 2.211 -14.356 -28.050 1.00 0.00 O ATOM 1125 CG2 THR A 74 1.628 -16.635 -28.599 1.00 0.00 C ATOM 0 H THR A 74 4.407 -13.824 -29.144 1.00 0.00 H new ATOM 0 HA THR A 74 4.175 -16.182 -27.707 1.00 0.00 H new ATOM 0 HB THR A 74 2.384 -15.162 -29.948 1.00 0.00 H new ATOM 0 HG1 THR A 74 2.590 -13.530 -28.417 1.00 0.00 H new ATOM 0 HG21 THR A 74 0.588 -16.338 -28.732 1.00 0.00 H new ATOM 0 HG22 THR A 74 1.859 -17.459 -29.274 1.00 0.00 H new ATOM 0 HG23 THR A 74 1.785 -16.954 -27.569 1.00 0.00 H new ATOM 1133 N MET A 75 4.324 -16.669 -30.989 1.00 0.00 N ATOM 1134 CA MET A 75 4.629 -17.661 -32.013 1.00 0.00 C ATOM 1135 C MET A 75 6.045 -18.203 -31.841 1.00 0.00 C ATOM 1136 O MET A 75 6.416 -19.202 -32.456 1.00 0.00 O ATOM 1137 CB MET A 75 4.471 -17.051 -33.408 1.00 0.00 C ATOM 1138 CG MET A 75 4.301 -18.086 -34.508 1.00 0.00 C ATOM 1139 SD MET A 75 4.374 -17.363 -36.158 1.00 0.00 S ATOM 1140 CE MET A 75 6.119 -16.981 -36.284 1.00 0.00 C ATOM 0 H MET A 75 4.091 -15.745 -31.353 1.00 0.00 H new ATOM 0 HA MET A 75 3.926 -18.487 -31.903 1.00 0.00 H new ATOM 0 HB2 MET A 75 3.607 -16.386 -33.409 1.00 0.00 H new ATOM 0 HB3 MET A 75 5.345 -16.438 -33.629 1.00 0.00 H new ATOM 0 HG2 MET A 75 5.079 -18.843 -34.413 1.00 0.00 H new ATOM 0 HG3 MET A 75 3.345 -18.593 -34.380 1.00 0.00 H new ATOM 0 HE1 MET A 75 6.380 -16.814 -37.329 1.00 0.00 H new ATOM 0 HE2 MET A 75 6.337 -16.082 -35.708 1.00 0.00 H new ATOM 0 HE3 MET A 75 6.703 -17.814 -35.892 1.00 0.00 H new ATOM 1150 N ALA A 76 6.830 -17.538 -31.000 1.00 0.00 N ATOM 1151 CA ALA A 76 8.203 -17.954 -30.746 1.00 0.00 C ATOM 1152 C ALA A 76 8.278 -18.898 -29.550 1.00 0.00 C ATOM 1153 O ALA A 76 8.688 -20.050 -29.683 1.00 0.00 O ATOM 1154 CB ALA A 76 9.090 -16.739 -30.518 1.00 0.00 C ATOM 0 H ALA A 76 6.538 -16.709 -30.483 1.00 0.00 H new ATOM 0 HA ALA A 76 8.562 -18.492 -31.624 1.00 0.00 H new ATOM 0 HB1 ALA A 76 10.113 -17.065 -30.329 1.00 0.00 H new ATOM 0 HB2 ALA A 76 9.069 -16.102 -31.403 1.00 0.00 H new ATOM 0 HB3 ALA A 76 8.724 -16.178 -29.658 1.00 0.00 H new ATOM 1160 N GLU A 77 7.881 -18.400 -28.383 1.00 0.00 N ATOM 1161 CA GLU A 77 7.906 -19.199 -27.164 1.00 0.00 C ATOM 1162 C GLU A 77 6.649 -20.058 -27.051 1.00 0.00 C ATOM 1163 O GLU A 77 6.695 -21.274 -27.240 1.00 0.00 O ATOM 1164 CB GLU A 77 8.030 -18.294 -25.936 1.00 0.00 C ATOM 1165 CG GLU A 77 9.453 -17.839 -25.658 1.00 0.00 C ATOM 1166 CD GLU A 77 9.791 -16.529 -26.342 1.00 0.00 C ATOM 1167 OE1 GLU A 77 9.265 -16.284 -27.448 1.00 0.00 O ATOM 1168 OE2 GLU A 77 10.582 -15.749 -25.772 1.00 0.00 O ATOM 0 H GLU A 77 7.539 -17.448 -28.256 1.00 0.00 H new ATOM 0 HA GLU A 77 8.773 -19.858 -27.210 1.00 0.00 H new ATOM 0 HB2 GLU A 77 7.398 -17.417 -26.076 1.00 0.00 H new ATOM 0 HB3 GLU A 77 7.650 -18.825 -25.063 1.00 0.00 H new ATOM 0 HG2 GLU A 77 9.592 -17.729 -24.582 1.00 0.00 H new ATOM 0 HG3 GLU A 77 10.148 -18.609 -25.992 1.00 0.00 H new ATOM 1175 N HIS A 78 5.527 -19.416 -26.741 1.00 0.00 N ATOM 1176 CA HIS A 78 4.257 -20.119 -26.602 1.00 0.00 C ATOM 1177 C HIS A 78 3.650 -20.419 -27.970 1.00 0.00 C ATOM 1178 O HIS A 78 2.887 -19.619 -28.510 1.00 0.00 O ATOM 1179 CB HIS A 78 3.279 -19.291 -25.768 1.00 0.00 C ATOM 1180 CG HIS A 78 3.945 -18.457 -24.718 1.00 0.00 C ATOM 1181 ND1 HIS A 78 4.990 -18.916 -23.943 1.00 0.00 N ATOM 1182 CD2 HIS A 78 3.711 -17.186 -24.317 1.00 0.00 C ATOM 1183 CE1 HIS A 78 5.368 -17.963 -23.109 1.00 0.00 C ATOM 1184 NE2 HIS A 78 4.609 -16.903 -23.316 1.00 0.00 N ATOM 0 H HIS A 78 5.472 -18.410 -26.581 1.00 0.00 H new ATOM 0 HA HIS A 78 4.447 -21.064 -26.093 1.00 0.00 H new ATOM 0 HB2 HIS A 78 2.710 -18.639 -26.431 1.00 0.00 H new ATOM 0 HB3 HIS A 78 2.565 -19.961 -25.289 1.00 0.00 H new ATOM 0 HD1 HIS A 78 5.406 -19.845 -24.004 1.00 0.00 H new ATOM 0 HD2 HIS A 78 2.959 -16.518 -24.710 1.00 0.00 H new ATOM 0 HE1 HIS A 78 6.163 -18.039 -22.382 1.00 0.00 H new