USER MOD reduce.3.24.130724 H: found=0, std=0, add=874, rem=0, adj=27 USER MOD reduce.3.24.130724 removed 873 hydrogens (0 hets) USER MOD ----------------------------------------------------------------- USER MOD scores for adjustable sidechains, with "set" totals for H,N and Q USER MOD "o" means original, "f" means flipped, "180deg" is methyl default USER MOD "!" flags a clash with an overlap of 0.40A or greater USER MOD flip categories: "K"=keep, "C"=clashes, "X"=uncertain, "F"=flip USER MOD Single : A 42 ASN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 47 LYS NZ :NH3+ 148:sc= 1.74 (180deg=0.699) USER MOD Single : A 48 LYS NZ :NH3+ -163:sc= -0.338! (180deg=-0.883!) USER MOD Single : A 49 THR OG1 : rot 36:sc= 0.0495 USER MOD Single : A 57 SER OG : rot 95:sc= 0.821 USER MOD Single : A 58 SER OG : rot 180:sc= 0 USER MOD Single : A 62 LYS NZ :NH3+ -161:sc= 1.25 (180deg=0.401) USER MOD Single : A 64 GLN : amide:sc= 0 K(o=0,f=-1.9!) USER MOD Single : A 67 THR OG1 : rot 180:sc= 0 USER MOD Single : A 69 HIS : no HD1:sc= 0 X(o=0,f=-0.0036) USER MOD Single : A 71 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 72 THR OG1 : rot 180:sc= 0 USER MOD Single : A 73 SER OG : rot 180:sc= 0 USER MOD Single : A 76 ASN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 78 THR OG1 : rot 180:sc= 0 USER MOD Single : A 81 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 89 THR OG1 : rot 180:sc= 0 USER MOD Single : A 93 CYS SG : rot 180:sc= 0 USER MOD Single : A 97 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 102 SER OG : rot -86:sc= 1.05 USER MOD Single : A 106 MET CE :methyl 150:sc= -0.0778 (180deg=-0.611) USER MOD Single : A 111 THR OG1 : rot 180:sc= 0 USER MOD Single : A 113 MET CE :methyl 172:sc= 0 (180deg=-0.104) USER MOD Single : A 115 THR OG1 : rot -102:sc= 0.294 USER MOD Single : A 118 SER OG : rot 52:sc= 0.293 USER MOD Single : A 119 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 120 TYR OH : rot 150:sc= 0 USER MOD Single : A 121 CYS SG : rot 112:sc= -3.11! USER MOD Single : A 122 TYR OH : rot 180:sc= 0 USER MOD Single : A 125 GLN : amide:sc= 0 X(o=0,f=-0.27) USER MOD Single : A 128 SER OG : rot 180:sc= 0 USER MOD Single : A 130 TYR OH : rot 180:sc= 0 USER MOD Single : A 134 HIS : no HD1:sc= 0 X(o=0,f=0) USER MOD Single : A 138 CYS SG : rot 40:sc= -0.655 USER MOD Single : A 142 THR OG1 : rot 180:sc= -0.0166 USER MOD Single : A 144 LYS NZ :NH3+ 167:sc= 0.199 (180deg=-0.124!) USER MOD Single : A 145 THR OG1 : rot 180:sc= 0 USER MOD ----------------------------------------------------------------- ATOM 42 N GLU A 35 -6.781 20.140 -3.804 1.00 0.00 N ATOM 43 CA GLU A 35 -5.459 19.977 -4.485 1.00 0.00 C ATOM 44 C GLU A 35 -4.687 18.657 -4.129 1.00 0.00 C ATOM 45 O GLU A 35 -4.977 17.608 -4.722 1.00 0.00 O ATOM 46 CB GLU A 35 -4.690 21.333 -4.427 1.00 0.00 C ATOM 47 CG GLU A 35 -3.497 21.478 -5.402 1.00 0.00 C ATOM 48 CD GLU A 35 -2.774 22.809 -5.276 1.00 0.00 C ATOM 49 OE1 GLU A 35 -3.352 23.846 -5.664 1.00 0.00 O ATOM 50 OE2 GLU A 35 -1.617 22.816 -4.807 1.00 0.00 O ATOM 0 HA GLU A 35 -5.608 19.774 -5.546 1.00 0.00 H new ATOM 0 HB2 GLU A 35 -5.397 22.138 -4.627 1.00 0.00 H new ATOM 0 HB3 GLU A 35 -4.323 21.477 -3.411 1.00 0.00 H new ATOM 0 HG2 GLU A 35 -2.789 20.669 -5.221 1.00 0.00 H new ATOM 0 HG3 GLU A 35 -3.857 21.364 -6.425 1.00 0.00 H new ATOM 57 N TRP A 36 -3.738 18.713 -3.174 1.00 0.00 N ATOM 58 CA TRP A 36 -2.989 17.525 -2.684 1.00 0.00 C ATOM 59 C TRP A 36 -3.201 17.428 -1.152 1.00 0.00 C ATOM 60 O TRP A 36 -2.646 18.214 -0.376 1.00 0.00 O ATOM 61 CB TRP A 36 -1.483 17.619 -3.054 1.00 0.00 C ATOM 62 CG TRP A 36 -1.202 17.343 -4.536 1.00 0.00 C ATOM 63 CD1 TRP A 36 -0.986 18.301 -5.546 1.00 0.00 C ATOM 64 CD2 TRP A 36 -1.210 16.121 -5.177 1.00 0.00 C ATOM 65 NE1 TRP A 36 -0.880 17.705 -6.817 1.00 0.00 N ATOM 66 CE2 TRP A 36 -1.025 16.349 -6.564 1.00 0.00 C ATOM 67 CE3 TRP A 36 -1.395 14.808 -4.682 1.00 0.00 C ATOM 68 CZ2 TRP A 36 -1.041 15.260 -7.467 1.00 0.00 C ATOM 69 CZ3 TRP A 36 -1.369 13.749 -5.585 1.00 0.00 C ATOM 70 CH2 TRP A 36 -1.211 13.971 -6.958 1.00 0.00 C ATOM 0 H TRP A 36 -3.464 19.582 -2.716 1.00 0.00 H new ATOM 0 HA TRP A 36 -3.363 16.620 -3.162 1.00 0.00 H new ATOM 0 HB2 TRP A 36 -1.116 18.614 -2.801 1.00 0.00 H new ATOM 0 HB3 TRP A 36 -0.922 16.908 -2.447 1.00 0.00 H new ATOM 0 HD1 TRP A 36 -0.911 19.363 -5.367 1.00 0.00 H new ATOM 0 HE1 TRP A 36 -0.731 18.164 -7.716 1.00 0.00 H new ATOM 0 HE3 TRP A 36 -1.553 14.632 -3.628 1.00 0.00 H new ATOM 0 HZ2 TRP A 36 -0.924 15.422 -8.528 1.00 0.00 H new ATOM 0 HZ3 TRP A 36 -1.473 12.738 -5.220 1.00 0.00 H new ATOM 0 HH2 TRP A 36 -1.221 13.130 -7.636 1.00 0.00 H new ATOM 81 N LEU A 37 -4.015 16.440 -0.741 1.00 0.00 N ATOM 82 CA LEU A 37 -4.379 16.218 0.680 1.00 0.00 C ATOM 83 C LEU A 37 -3.363 15.202 1.273 1.00 0.00 C ATOM 84 O LEU A 37 -3.394 14.016 0.922 1.00 0.00 O ATOM 85 CB LEU A 37 -5.842 15.698 0.809 1.00 0.00 C ATOM 86 CG LEU A 37 -7.005 16.670 0.436 1.00 0.00 C ATOM 87 CD1 LEU A 37 -7.258 16.798 -1.083 1.00 0.00 C ATOM 88 CD2 LEU A 37 -8.317 16.229 1.119 1.00 0.00 C ATOM 0 H LEU A 37 -4.442 15.770 -1.380 1.00 0.00 H new ATOM 0 HA LEU A 37 -4.334 17.156 1.233 1.00 0.00 H new ATOM 0 HB2 LEU A 37 -5.936 14.810 0.184 1.00 0.00 H new ATOM 0 HB3 LEU A 37 -5.992 15.379 1.840 1.00 0.00 H new ATOM 0 HG LEU A 37 -6.686 17.649 0.794 1.00 0.00 H new ATOM 0 HD11 LEU A 37 -8.081 17.491 -1.258 1.00 0.00 H new ATOM 0 HD12 LEU A 37 -6.358 17.173 -1.571 1.00 0.00 H new ATOM 0 HD13 LEU A 37 -7.513 15.821 -1.493 1.00 0.00 H new ATOM 0 HD21 LEU A 37 -9.117 16.918 0.848 1.00 0.00 H new ATOM 0 HD22 LEU A 37 -8.578 15.223 0.791 1.00 0.00 H new ATOM 0 HD23 LEU A 37 -8.184 16.235 2.201 1.00 0.00 H new ATOM 100 N ASP A 38 -2.449 15.671 2.150 1.00 0.00 N ATOM 101 CA ASP A 38 -1.350 14.825 2.686 1.00 0.00 C ATOM 102 C ASP A 38 -1.808 13.802 3.778 1.00 0.00 C ATOM 103 O ASP A 38 -2.378 14.150 4.818 1.00 0.00 O ATOM 104 CB ASP A 38 -0.110 15.673 3.063 1.00 0.00 C ATOM 105 CG ASP A 38 -0.169 16.527 4.327 1.00 0.00 C ATOM 106 OD1 ASP A 38 -0.796 17.606 4.293 1.00 0.00 O ATOM 107 OD2 ASP A 38 0.431 16.127 5.347 1.00 0.00 O ATOM 0 H ASP A 38 -2.447 16.628 2.504 1.00 0.00 H new ATOM 0 HA ASP A 38 -1.026 14.176 1.872 1.00 0.00 H new ATOM 0 HB2 ASP A 38 0.738 14.995 3.160 1.00 0.00 H new ATOM 0 HB3 ASP A 38 0.106 16.336 2.225 1.00 0.00 H new ATOM 112 N ILE A 39 -1.546 12.518 3.485 1.00 0.00 N ATOM 113 CA ILE A 39 -1.847 11.374 4.393 1.00 0.00 C ATOM 114 C ILE A 39 -0.536 10.944 5.124 1.00 0.00 C ATOM 115 O ILE A 39 0.077 9.920 4.800 1.00 0.00 O ATOM 116 CB ILE A 39 -2.568 10.206 3.625 1.00 0.00 C ATOM 117 CG1 ILE A 39 -1.892 9.772 2.285 1.00 0.00 C ATOM 118 CG2 ILE A 39 -4.071 10.513 3.417 1.00 0.00 C ATOM 119 CD1 ILE A 39 -2.227 8.351 1.821 1.00 0.00 C ATOM 0 H ILE A 39 -1.116 12.231 2.606 1.00 0.00 H new ATOM 0 HA ILE A 39 -2.558 11.680 5.160 1.00 0.00 H new ATOM 0 HB ILE A 39 -2.464 9.342 4.281 1.00 0.00 H new ATOM 0 HG12 ILE A 39 -2.187 10.472 1.503 1.00 0.00 H new ATOM 0 HG13 ILE A 39 -0.811 9.856 2.397 1.00 0.00 H new ATOM 0 HG21 ILE A 39 -4.541 9.687 2.883 1.00 0.00 H new ATOM 0 HG22 ILE A 39 -4.554 10.640 4.386 1.00 0.00 H new ATOM 0 HG23 ILE A 39 -4.178 11.428 2.835 1.00 0.00 H new ATOM 0 HD11 ILE A 39 -1.711 8.143 0.884 1.00 0.00 H new ATOM 0 HD12 ILE A 39 -1.906 7.636 2.578 1.00 0.00 H new ATOM 0 HD13 ILE A 39 -3.303 8.261 1.671 1.00 0.00 H new ATOM 131 N LEU A 40 -0.104 11.758 6.112 1.00 0.00 N ATOM 132 CA LEU A 40 1.166 11.562 6.846 1.00 0.00 C ATOM 133 C LEU A 40 1.176 12.464 8.122 1.00 0.00 C ATOM 134 O LEU A 40 1.268 11.933 9.232 1.00 0.00 O ATOM 135 CB LEU A 40 2.413 11.809 5.935 1.00 0.00 C ATOM 136 CG LEU A 40 3.751 11.363 6.578 1.00 0.00 C ATOM 137 CD1 LEU A 40 3.997 9.847 6.415 1.00 0.00 C ATOM 138 CD2 LEU A 40 4.931 12.175 6.023 1.00 0.00 C ATOM 0 H LEU A 40 -0.630 12.574 6.425 1.00 0.00 H new ATOM 0 HA LEU A 40 1.231 10.520 7.160 1.00 0.00 H new ATOM 0 HB2 LEU A 40 2.276 11.276 4.994 1.00 0.00 H new ATOM 0 HB3 LEU A 40 2.472 12.870 5.694 1.00 0.00 H new ATOM 0 HG LEU A 40 3.673 11.563 7.647 1.00 0.00 H new ATOM 0 HD11 LEU A 40 4.946 9.580 6.881 1.00 0.00 H new ATOM 0 HD12 LEU A 40 3.189 9.294 6.894 1.00 0.00 H new ATOM 0 HD13 LEU A 40 4.030 9.596 5.355 1.00 0.00 H new ATOM 0 HD21 LEU A 40 5.856 11.840 6.492 1.00 0.00 H new ATOM 0 HD22 LEU A 40 4.998 12.029 4.945 1.00 0.00 H new ATOM 0 HD23 LEU A 40 4.778 13.233 6.237 1.00 0.00 H new ATOM 150 N GLY A 41 1.169 13.803 7.957 1.00 0.00 N ATOM 151 CA GLY A 41 1.583 14.742 9.020 1.00 0.00 C ATOM 152 C GLY A 41 2.156 16.020 8.385 1.00 0.00 C ATOM 153 O GLY A 41 1.439 17.017 8.256 1.00 0.00 O ATOM 0 H GLY A 41 0.879 14.260 7.092 1.00 0.00 H new ATOM 0 HA2 GLY A 41 0.731 14.989 9.653 1.00 0.00 H new ATOM 0 HA3 GLY A 41 2.331 14.275 9.661 1.00 0.00 H new ATOM 157 N ASN A 42 3.442 15.975 7.976 1.00 0.00 N ATOM 158 CA ASN A 42 4.133 17.124 7.325 1.00 0.00 C ATOM 159 C ASN A 42 3.683 17.279 5.837 1.00 0.00 C ATOM 160 O ASN A 42 2.867 18.160 5.555 1.00 0.00 O ATOM 161 CB ASN A 42 5.677 17.024 7.514 1.00 0.00 C ATOM 162 CG ASN A 42 6.190 17.173 8.964 1.00 0.00 C ATOM 163 OD1 ASN A 42 5.912 18.159 9.645 1.00 0.00 O ATOM 164 ND2 ASN A 42 6.949 16.207 9.461 1.00 0.00 N ATOM 0 H ASN A 42 4.033 15.150 8.084 1.00 0.00 H new ATOM 0 HA ASN A 42 3.833 18.048 7.820 1.00 0.00 H new ATOM 0 HB2 ASN A 42 6.009 16.060 7.129 1.00 0.00 H new ATOM 0 HB3 ASN A 42 6.149 17.792 6.901 1.00 0.00 H new ATOM 0 HD21 ASN A 42 7.306 16.278 10.414 1.00 0.00 H new ATOM 0 HD22 ASN A 42 7.176 15.392 8.891 1.00 0.00 H new ATOM 171 N GLY A 43 4.171 16.425 4.918 1.00 0.00 N ATOM 172 CA GLY A 43 3.693 16.405 3.520 1.00 0.00 C ATOM 173 C GLY A 43 4.674 15.685 2.585 1.00 0.00 C ATOM 174 O GLY A 43 5.441 16.351 1.885 1.00 0.00 O ATOM 0 H GLY A 43 4.898 15.738 5.118 1.00 0.00 H new ATOM 0 HA2 GLY A 43 2.722 15.911 3.476 1.00 0.00 H new ATOM 0 HA3 GLY A 43 3.546 17.428 3.173 1.00 0.00 H new ATOM 178 N LEU A 44 4.635 14.339 2.581 1.00 0.00 N ATOM 179 CA LEU A 44 5.536 13.500 1.739 1.00 0.00 C ATOM 180 C LEU A 44 4.712 12.431 0.958 1.00 0.00 C ATOM 181 O LEU A 44 4.733 12.455 -0.275 1.00 0.00 O ATOM 182 CB LEU A 44 6.737 12.901 2.524 1.00 0.00 C ATOM 183 CG LEU A 44 7.680 13.881 3.284 1.00 0.00 C ATOM 184 CD1 LEU A 44 8.559 13.123 4.295 1.00 0.00 C ATOM 185 CD2 LEU A 44 8.564 14.721 2.337 1.00 0.00 C ATOM 0 H LEU A 44 3.987 13.798 3.153 1.00 0.00 H new ATOM 0 HA LEU A 44 6.001 14.157 1.004 1.00 0.00 H new ATOM 0 HB2 LEU A 44 6.340 12.191 3.249 1.00 0.00 H new ATOM 0 HB3 LEU A 44 7.345 12.332 1.820 1.00 0.00 H new ATOM 0 HG LEU A 44 7.032 14.576 3.819 1.00 0.00 H new ATOM 0 HD11 LEU A 44 9.209 13.828 4.813 1.00 0.00 H new ATOM 0 HD12 LEU A 44 7.924 12.615 5.020 1.00 0.00 H new ATOM 0 HD13 LEU A 44 9.168 12.388 3.768 1.00 0.00 H new ATOM 0 HD21 LEU A 44 9.199 15.384 2.925 1.00 0.00 H new ATOM 0 HD22 LEU A 44 9.188 14.058 1.738 1.00 0.00 H new ATOM 0 HD23 LEU A 44 7.930 15.315 1.679 1.00 0.00 H new ATOM 197 N LEU A 45 3.956 11.530 1.632 1.00 0.00 N ATOM 198 CA LEU A 45 2.897 10.716 0.967 1.00 0.00 C ATOM 199 C LEU A 45 1.607 11.587 0.837 1.00 0.00 C ATOM 200 O LEU A 45 1.113 12.127 1.832 1.00 0.00 O ATOM 201 CB LEU A 45 2.663 9.401 1.764 1.00 0.00 C ATOM 202 CG LEU A 45 1.740 8.343 1.089 1.00 0.00 C ATOM 203 CD1 LEU A 45 2.368 7.703 -0.167 1.00 0.00 C ATOM 204 CD2 LEU A 45 1.338 7.240 2.083 1.00 0.00 C ATOM 0 H LEU A 45 4.055 11.346 2.630 1.00 0.00 H new ATOM 0 HA LEU A 45 3.203 10.420 -0.037 1.00 0.00 H new ATOM 0 HB2 LEU A 45 3.632 8.939 1.955 1.00 0.00 H new ATOM 0 HB3 LEU A 45 2.237 9.659 2.733 1.00 0.00 H new ATOM 0 HG LEU A 45 0.852 8.888 0.769 1.00 0.00 H new ATOM 0 HD11 LEU A 45 1.675 6.975 -0.590 1.00 0.00 H new ATOM 0 HD12 LEU A 45 2.576 8.478 -0.905 1.00 0.00 H new ATOM 0 HD13 LEU A 45 3.298 7.203 0.105 1.00 0.00 H new ATOM 0 HD21 LEU A 45 0.694 6.517 1.583 1.00 0.00 H new ATOM 0 HD22 LEU A 45 2.233 6.737 2.450 1.00 0.00 H new ATOM 0 HD23 LEU A 45 0.802 7.684 2.922 1.00 0.00 H new ATOM 216 N ARG A 46 1.109 11.751 -0.405 1.00 0.00 N ATOM 217 CA ARG A 46 0.062 12.764 -0.745 1.00 0.00 C ATOM 218 C ARG A 46 -0.953 12.220 -1.806 1.00 0.00 C ATOM 219 O ARG A 46 -0.544 11.667 -2.832 1.00 0.00 O ATOM 220 CB ARG A 46 0.753 14.110 -1.145 1.00 0.00 C ATOM 221 CG ARG A 46 1.569 14.104 -2.466 1.00 0.00 C ATOM 222 CD ARG A 46 2.346 15.394 -2.813 1.00 0.00 C ATOM 223 NE ARG A 46 3.593 15.593 -2.016 1.00 0.00 N ATOM 224 CZ ARG A 46 4.762 14.973 -2.219 1.00 0.00 C ATOM 225 NH1 ARG A 46 4.961 14.058 -3.131 1.00 0.00 N ATOM 226 NH2 ARG A 46 5.766 15.280 -1.451 1.00 0.00 N ATOM 0 H ARG A 46 1.412 11.194 -1.204 1.00 0.00 H new ATOM 0 HA ARG A 46 -0.551 12.969 0.133 1.00 0.00 H new ATOM 0 HB2 ARG A 46 -0.016 14.878 -1.223 1.00 0.00 H new ATOM 0 HB3 ARG A 46 1.419 14.406 -0.334 1.00 0.00 H new ATOM 0 HG2 ARG A 46 2.282 13.280 -2.421 1.00 0.00 H new ATOM 0 HG3 ARG A 46 0.885 13.889 -3.287 1.00 0.00 H new ATOM 0 HD2 ARG A 46 2.605 15.375 -3.872 1.00 0.00 H new ATOM 0 HD3 ARG A 46 1.690 16.251 -2.660 1.00 0.00 H new ATOM 0 HE ARG A 46 3.550 16.262 -1.247 1.00 0.00 H new ATOM 0 HH11 ARG A 46 4.197 13.775 -3.745 1.00 0.00 H new ATOM 0 HH12 ARG A 46 5.880 13.627 -3.229 1.00 0.00 H new ATOM 0 HH21 ARG A 46 5.651 15.978 -0.716 1.00 0.00 H new ATOM 0 HH22 ARG A 46 6.668 14.823 -1.584 1.00 0.00 H new ATOM 240 N LYS A 47 -2.275 12.375 -1.573 1.00 0.00 N ATOM 241 CA LYS A 47 -3.337 11.804 -2.459 1.00 0.00 C ATOM 242 C LYS A 47 -4.319 12.885 -3.030 1.00 0.00 C ATOM 243 O LYS A 47 -4.871 13.691 -2.277 1.00 0.00 O ATOM 244 CB LYS A 47 -4.065 10.629 -1.746 1.00 0.00 C ATOM 245 CG LYS A 47 -4.875 10.965 -0.466 1.00 0.00 C ATOM 246 CD LYS A 47 -5.745 9.817 0.087 1.00 0.00 C ATOM 247 CE LYS A 47 -6.971 9.481 -0.785 1.00 0.00 C ATOM 248 NZ LYS A 47 -7.937 8.604 -0.072 1.00 0.00 N ATOM 0 H LYS A 47 -2.643 12.893 -0.775 1.00 0.00 H new ATOM 0 HA LYS A 47 -2.843 11.398 -3.342 1.00 0.00 H new ATOM 0 HB2 LYS A 47 -4.744 10.168 -2.463 1.00 0.00 H new ATOM 0 HB3 LYS A 47 -3.319 9.878 -1.486 1.00 0.00 H new ATOM 0 HG2 LYS A 47 -4.179 11.278 0.312 1.00 0.00 H new ATOM 0 HG3 LYS A 47 -5.520 11.817 -0.678 1.00 0.00 H new ATOM 0 HD2 LYS A 47 -5.128 8.924 0.188 1.00 0.00 H new ATOM 0 HD3 LYS A 47 -6.086 10.083 1.087 1.00 0.00 H new ATOM 0 HE2 LYS A 47 -7.469 10.404 -1.081 1.00 0.00 H new ATOM 0 HE3 LYS A 47 -6.641 8.989 -1.700 1.00 0.00 H new ATOM 0 HZ1 LYS A 47 -8.903 8.821 -0.390 1.00 0.00 H new ATOM 0 HZ2 LYS A 47 -7.720 7.608 -0.279 1.00 0.00 H new ATOM 0 HZ3 LYS A 47 -7.865 8.768 0.952 1.00 0.00 H new ATOM 262 N LYS A 48 -4.588 12.854 -4.352 1.00 0.00 N ATOM 263 CA LYS A 48 -5.670 13.671 -4.989 1.00 0.00 C ATOM 264 C LYS A 48 -6.823 12.733 -5.468 1.00 0.00 C ATOM 265 O LYS A 48 -6.574 11.800 -6.240 1.00 0.00 O ATOM 266 CB LYS A 48 -5.089 14.593 -6.110 1.00 0.00 C ATOM 267 CG LYS A 48 -4.689 13.960 -7.470 1.00 0.00 C ATOM 268 CD LYS A 48 -5.798 13.986 -8.550 1.00 0.00 C ATOM 269 CE LYS A 48 -5.707 12.840 -9.579 1.00 0.00 C ATOM 270 NZ LYS A 48 -6.351 11.603 -9.051 1.00 0.00 N ATOM 0 H LYS A 48 -4.073 12.271 -5.012 1.00 0.00 H new ATOM 0 HA LYS A 48 -6.105 14.351 -4.257 1.00 0.00 H new ATOM 0 HB2 LYS A 48 -5.826 15.370 -6.312 1.00 0.00 H new ATOM 0 HB3 LYS A 48 -4.207 15.088 -5.705 1.00 0.00 H new ATOM 0 HG2 LYS A 48 -3.814 14.484 -7.855 1.00 0.00 H new ATOM 0 HG3 LYS A 48 -4.392 12.925 -7.300 1.00 0.00 H new ATOM 0 HD2 LYS A 48 -6.770 13.941 -8.058 1.00 0.00 H new ATOM 0 HD3 LYS A 48 -5.752 14.938 -9.079 1.00 0.00 H new ATOM 0 HE2 LYS A 48 -6.192 13.140 -10.508 1.00 0.00 H new ATOM 0 HE3 LYS A 48 -4.662 12.639 -9.815 1.00 0.00 H new ATOM 0 HZ1 LYS A 48 -6.038 10.783 -9.609 1.00 0.00 H new ATOM 0 HZ2 LYS A 48 -6.080 11.468 -8.056 1.00 0.00 H new ATOM 0 HZ3 LYS A 48 -7.385 11.694 -9.119 1.00 0.00 H new ATOM 284 N THR A 49 -8.072 12.988 -5.040 1.00 0.00 N ATOM 285 CA THR A 49 -9.243 12.130 -5.398 1.00 0.00 C ATOM 286 C THR A 49 -9.781 12.480 -6.819 1.00 0.00 C ATOM 287 O THR A 49 -10.141 13.630 -7.089 1.00 0.00 O ATOM 288 CB THR A 49 -10.383 12.207 -4.336 1.00 0.00 C ATOM 289 OG1 THR A 49 -10.843 13.546 -4.173 1.00 0.00 O ATOM 290 CG2 THR A 49 -10.019 11.646 -2.950 1.00 0.00 C ATOM 0 H THR A 49 -8.309 13.781 -4.444 1.00 0.00 H new ATOM 0 HA THR A 49 -8.887 11.100 -5.409 1.00 0.00 H new ATOM 0 HB THR A 49 -11.167 11.568 -4.742 1.00 0.00 H new ATOM 0 HG1 THR A 49 -10.822 14.007 -5.038 1.00 0.00 H new ATOM 0 HG21 THR A 49 -10.875 11.744 -2.282 1.00 0.00 H new ATOM 0 HG22 THR A 49 -9.749 10.594 -3.043 1.00 0.00 H new ATOM 0 HG23 THR A 49 -9.175 12.202 -2.543 1.00 0.00 H new ATOM 298 N LEU A 50 -9.856 11.466 -7.703 1.00 0.00 N ATOM 299 CA LEU A 50 -10.485 11.592 -9.048 1.00 0.00 C ATOM 300 C LEU A 50 -12.015 11.305 -8.952 1.00 0.00 C ATOM 301 O LEU A 50 -12.810 12.243 -9.063 1.00 0.00 O ATOM 302 CB LEU A 50 -9.731 10.691 -10.073 1.00 0.00 C ATOM 303 CG LEU A 50 -10.011 10.974 -11.575 1.00 0.00 C ATOM 304 CD1 LEU A 50 -9.297 12.248 -12.076 1.00 0.00 C ATOM 305 CD2 LEU A 50 -9.597 9.766 -12.438 1.00 0.00 C ATOM 0 H LEU A 50 -9.485 10.535 -7.513 1.00 0.00 H new ATOM 0 HA LEU A 50 -10.394 12.613 -9.418 1.00 0.00 H new ATOM 0 HB2 LEU A 50 -8.660 10.797 -9.899 1.00 0.00 H new ATOM 0 HB3 LEU A 50 -9.986 9.651 -9.867 1.00 0.00 H new ATOM 0 HG LEU A 50 -11.084 11.140 -11.672 1.00 0.00 H new ATOM 0 HD11 LEU A 50 -9.525 12.402 -13.131 1.00 0.00 H new ATOM 0 HD12 LEU A 50 -9.641 13.108 -11.502 1.00 0.00 H new ATOM 0 HD13 LEU A 50 -8.220 12.135 -11.950 1.00 0.00 H new ATOM 0 HD21 LEU A 50 -9.800 9.982 -13.487 1.00 0.00 H new ATOM 0 HD22 LEU A 50 -8.532 9.573 -12.307 1.00 0.00 H new ATOM 0 HD23 LEU A 50 -10.165 8.888 -12.131 1.00 0.00 H new ATOM 317 N VAL A 51 -12.410 10.031 -8.735 1.00 0.00 N ATOM 318 CA VAL A 51 -13.828 9.621 -8.554 1.00 0.00 C ATOM 319 C VAL A 51 -13.894 9.102 -7.077 1.00 0.00 C ATOM 320 O VAL A 51 -13.473 7.961 -6.849 1.00 0.00 O ATOM 321 CB VAL A 51 -14.272 8.566 -9.629 1.00 0.00 C ATOM 322 CG1 VAL A 51 -15.732 8.093 -9.431 1.00 0.00 C ATOM 323 CG2 VAL A 51 -14.130 9.066 -11.089 1.00 0.00 C ATOM 0 H VAL A 51 -11.754 9.252 -8.680 1.00 0.00 H new ATOM 0 HA VAL A 51 -14.534 10.438 -8.707 1.00 0.00 H new ATOM 0 HB VAL A 51 -13.585 7.734 -9.473 1.00 0.00 H new ATOM 0 HG11 VAL A 51 -15.986 7.365 -10.201 1.00 0.00 H new ATOM 0 HG12 VAL A 51 -15.835 7.633 -8.448 1.00 0.00 H new ATOM 0 HG13 VAL A 51 -16.404 8.948 -9.504 1.00 0.00 H new ATOM 0 HG21 VAL A 51 -14.455 8.284 -11.775 1.00 0.00 H new ATOM 0 HG22 VAL A 51 -14.747 9.953 -11.231 1.00 0.00 H new ATOM 0 HG23 VAL A 51 -13.087 9.313 -11.289 1.00 0.00 H new ATOM 333 N PRO A 52 -14.389 9.861 -6.053 1.00 0.00 N ATOM 334 CA PRO A 52 -14.371 9.410 -4.636 1.00 0.00 C ATOM 335 C PRO A 52 -15.425 8.309 -4.312 1.00 0.00 C ATOM 336 O PRO A 52 -16.398 8.112 -5.049 1.00 0.00 O ATOM 337 CB PRO A 52 -14.578 10.734 -3.872 1.00 0.00 C ATOM 338 CG PRO A 52 -15.358 11.646 -4.819 1.00 0.00 C ATOM 339 CD PRO A 52 -14.899 11.236 -6.219 1.00 0.00 C ATOM 0 HA PRO A 52 -13.449 8.900 -4.356 1.00 0.00 H new ATOM 0 HB2 PRO A 52 -15.129 10.569 -2.946 1.00 0.00 H new ATOM 0 HB3 PRO A 52 -13.622 11.181 -3.598 1.00 0.00 H new ATOM 0 HG2 PRO A 52 -16.433 11.513 -4.700 1.00 0.00 H new ATOM 0 HG3 PRO A 52 -15.143 12.697 -4.624 1.00 0.00 H new ATOM 0 HD2 PRO A 52 -15.722 11.270 -6.933 1.00 0.00 H new ATOM 0 HD3 PRO A 52 -14.124 11.904 -6.594 1.00 0.00 H new ATOM 347 N GLY A 53 -15.202 7.586 -3.199 1.00 0.00 N ATOM 348 CA GLY A 53 -16.045 6.430 -2.818 1.00 0.00 C ATOM 349 C GLY A 53 -17.525 6.757 -2.441 1.00 0.00 C ATOM 350 O GLY A 53 -17.777 7.867 -1.958 1.00 0.00 O ATOM 0 H GLY A 53 -14.444 7.780 -2.544 1.00 0.00 H new ATOM 0 HA2 GLY A 53 -16.050 5.721 -3.646 1.00 0.00 H new ATOM 0 HA3 GLY A 53 -15.577 5.928 -1.971 1.00 0.00 H new ATOM 354 N PRO A 54 -18.523 5.845 -2.634 1.00 0.00 N ATOM 355 CA PRO A 54 -19.966 6.158 -2.421 1.00 0.00 C ATOM 356 C PRO A 54 -20.396 6.430 -0.934 1.00 0.00 C ATOM 357 O PRO A 54 -19.622 6.106 -0.026 1.00 0.00 O ATOM 358 CB PRO A 54 -20.658 4.928 -3.050 1.00 0.00 C ATOM 359 CG PRO A 54 -19.644 3.787 -2.995 1.00 0.00 C ATOM 360 CD PRO A 54 -18.296 4.483 -3.156 1.00 0.00 C ATOM 0 HA PRO A 54 -20.247 7.109 -2.874 1.00 0.00 H new ATOM 0 HB2 PRO A 54 -21.564 4.669 -2.501 1.00 0.00 H new ATOM 0 HB3 PRO A 54 -20.956 5.134 -4.078 1.00 0.00 H new ATOM 0 HG2 PRO A 54 -19.703 3.245 -2.051 1.00 0.00 H new ATOM 0 HG3 PRO A 54 -19.816 3.061 -3.790 1.00 0.00 H new ATOM 0 HD2 PRO A 54 -17.514 3.969 -2.598 1.00 0.00 H new ATOM 0 HD3 PRO A 54 -17.982 4.504 -4.199 1.00 0.00 H new ATOM 368 N PRO A 55 -21.596 7.015 -0.626 1.00 0.00 N ATOM 369 CA PRO A 55 -22.006 7.347 0.766 1.00 0.00 C ATOM 370 C PRO A 55 -22.275 6.079 1.632 1.00 0.00 C ATOM 371 O PRO A 55 -23.162 5.274 1.329 1.00 0.00 O ATOM 372 CB PRO A 55 -23.250 8.236 0.558 1.00 0.00 C ATOM 373 CG PRO A 55 -23.803 7.858 -0.816 1.00 0.00 C ATOM 374 CD PRO A 55 -22.565 7.490 -1.635 1.00 0.00 C ATOM 0 HA PRO A 55 -21.228 7.856 1.335 1.00 0.00 H new ATOM 0 HB2 PRO A 55 -23.990 8.063 1.339 1.00 0.00 H new ATOM 0 HB3 PRO A 55 -22.987 9.293 0.597 1.00 0.00 H new ATOM 0 HG2 PRO A 55 -24.498 7.021 -0.748 1.00 0.00 H new ATOM 0 HG3 PRO A 55 -24.346 8.688 -1.268 1.00 0.00 H new ATOM 0 HD2 PRO A 55 -22.788 6.716 -2.369 1.00 0.00 H new ATOM 0 HD3 PRO A 55 -22.180 8.349 -2.184 1.00 0.00 H new ATOM 382 N GLY A 56 -21.440 5.909 2.670 1.00 0.00 N ATOM 383 CA GLY A 56 -21.345 4.650 3.437 1.00 0.00 C ATOM 384 C GLY A 56 -19.917 4.090 3.322 1.00 0.00 C ATOM 385 O GLY A 56 -19.003 4.615 3.963 1.00 0.00 O ATOM 0 H GLY A 56 -20.810 6.639 3.003 1.00 0.00 H new ATOM 0 HA2 GLY A 56 -21.595 4.828 4.483 1.00 0.00 H new ATOM 0 HA3 GLY A 56 -22.064 3.924 3.057 1.00 0.00 H new ATOM 389 N SER A 57 -19.741 3.040 2.493 1.00 0.00 N ATOM 390 CA SER A 57 -18.424 2.425 2.164 1.00 0.00 C ATOM 391 C SER A 57 -17.637 1.869 3.388 1.00 0.00 C ATOM 392 O SER A 57 -16.976 2.627 4.108 1.00 0.00 O ATOM 393 CB SER A 57 -17.540 3.334 1.281 1.00 0.00 C ATOM 394 OG SER A 57 -18.166 3.625 0.040 1.00 0.00 O ATOM 0 H SER A 57 -20.521 2.582 2.021 1.00 0.00 H new ATOM 0 HA SER A 57 -18.687 1.549 1.572 1.00 0.00 H new ATOM 0 HB2 SER A 57 -17.330 4.264 1.810 1.00 0.00 H new ATOM 0 HB3 SER A 57 -16.582 2.847 1.101 1.00 0.00 H new ATOM 0 HG SER A 57 -18.638 4.481 0.105 1.00 0.00 H new ATOM 400 N SER A 58 -17.689 0.539 3.592 1.00 0.00 N ATOM 401 CA SER A 58 -16.920 -0.138 4.671 1.00 0.00 C ATOM 402 C SER A 58 -15.450 -0.354 4.224 1.00 0.00 C ATOM 403 O SER A 58 -15.183 -0.881 3.140 1.00 0.00 O ATOM 404 CB SER A 58 -17.557 -1.491 5.048 1.00 0.00 C ATOM 405 OG SER A 58 -18.902 -1.337 5.488 1.00 0.00 O ATOM 0 H SER A 58 -18.254 -0.095 3.027 1.00 0.00 H new ATOM 0 HA SER A 58 -16.940 0.505 5.551 1.00 0.00 H new ATOM 0 HB2 SER A 58 -17.530 -2.158 4.186 1.00 0.00 H new ATOM 0 HB3 SER A 58 -16.969 -1.963 5.835 1.00 0.00 H new ATOM 0 HG SER A 58 -19.274 -2.214 5.717 1.00 0.00 H new ATOM 411 N ARG A 59 -14.516 0.079 5.081 1.00 0.00 N ATOM 412 CA ARG A 59 -13.064 0.119 4.754 1.00 0.00 C ATOM 413 C ARG A 59 -12.357 -1.202 5.227 1.00 0.00 C ATOM 414 O ARG A 59 -12.288 -1.416 6.444 1.00 0.00 O ATOM 415 CB ARG A 59 -12.432 1.391 5.382 1.00 0.00 C ATOM 416 CG ARG A 59 -12.851 2.713 4.691 1.00 0.00 C ATOM 417 CD ARG A 59 -12.289 3.970 5.374 1.00 0.00 C ATOM 418 NE ARG A 59 -12.793 5.154 4.630 1.00 0.00 N ATOM 419 CZ ARG A 59 -12.431 6.416 4.833 1.00 0.00 C ATOM 420 NH1 ARG A 59 -11.621 6.790 5.791 1.00 0.00 N ATOM 421 NH2 ARG A 59 -12.903 7.330 4.037 1.00 0.00 N ATOM 0 H ARG A 59 -14.733 0.413 6.020 1.00 0.00 H new ATOM 0 HA ARG A 59 -12.926 0.176 3.674 1.00 0.00 H new ATOM 0 HB2 ARG A 59 -12.710 1.440 6.435 1.00 0.00 H new ATOM 0 HB3 ARG A 59 -11.346 1.301 5.343 1.00 0.00 H new ATOM 0 HG2 ARG A 59 -12.516 2.693 3.654 1.00 0.00 H new ATOM 0 HG3 ARG A 59 -13.939 2.775 4.674 1.00 0.00 H new ATOM 0 HD2 ARG A 59 -12.604 4.011 6.417 1.00 0.00 H new ATOM 0 HD3 ARG A 59 -11.199 3.952 5.371 1.00 0.00 H new ATOM 0 HE ARG A 59 -13.480 4.982 3.896 1.00 0.00 H new ATOM 0 HH11 ARG A 59 -11.232 6.096 6.430 1.00 0.00 H new ATOM 0 HH12 ARG A 59 -11.378 7.775 5.898 1.00 0.00 H new ATOM 0 HH21 ARG A 59 -13.535 7.070 3.280 1.00 0.00 H new ATOM 0 HH22 ARG A 59 -12.641 8.307 4.170 1.00 0.00 H new ATOM 435 N PRO A 60 -11.822 -2.099 4.342 1.00 0.00 N ATOM 436 CA PRO A 60 -11.313 -3.436 4.752 1.00 0.00 C ATOM 437 C PRO A 60 -10.004 -3.419 5.597 1.00 0.00 C ATOM 438 O PRO A 60 -9.167 -2.515 5.486 1.00 0.00 O ATOM 439 CB PRO A 60 -11.170 -4.178 3.405 1.00 0.00 C ATOM 440 CG PRO A 60 -11.048 -3.093 2.339 1.00 0.00 C ATOM 441 CD PRO A 60 -11.879 -1.939 2.877 1.00 0.00 C ATOM 0 HA PRO A 60 -11.992 -3.929 5.448 1.00 0.00 H new ATOM 0 HB2 PRO A 60 -10.292 -4.824 3.407 1.00 0.00 H new ATOM 0 HB3 PRO A 60 -12.034 -4.815 3.217 1.00 0.00 H new ATOM 0 HG2 PRO A 60 -10.009 -2.799 2.189 1.00 0.00 H new ATOM 0 HG3 PRO A 60 -11.424 -3.438 1.376 1.00 0.00 H new ATOM 0 HD2 PRO A 60 -11.472 -0.977 2.566 1.00 0.00 H new ATOM 0 HD3 PRO A 60 -12.905 -1.984 2.512 1.00 0.00 H new ATOM 449 N VAL A 61 -9.870 -4.446 6.453 1.00 0.00 N ATOM 450 CA VAL A 61 -8.763 -4.558 7.449 1.00 0.00 C ATOM 451 C VAL A 61 -7.449 -5.145 6.834 1.00 0.00 C ATOM 452 O VAL A 61 -7.449 -5.729 5.745 1.00 0.00 O ATOM 453 CB VAL A 61 -9.240 -5.348 8.724 1.00 0.00 C ATOM 454 CG1 VAL A 61 -10.339 -4.612 9.523 1.00 0.00 C ATOM 455 CG2 VAL A 61 -9.653 -6.821 8.481 1.00 0.00 C ATOM 0 H VAL A 61 -10.522 -5.230 6.483 1.00 0.00 H new ATOM 0 HA VAL A 61 -8.505 -3.547 7.764 1.00 0.00 H new ATOM 0 HB VAL A 61 -8.334 -5.385 9.328 1.00 0.00 H new ATOM 0 HG11 VAL A 61 -10.622 -5.211 10.389 1.00 0.00 H new ATOM 0 HG12 VAL A 61 -9.960 -3.646 9.858 1.00 0.00 H new ATOM 0 HG13 VAL A 61 -11.211 -4.459 8.887 1.00 0.00 H new ATOM 0 HG21 VAL A 61 -9.964 -7.272 9.423 1.00 0.00 H new ATOM 0 HG22 VAL A 61 -10.480 -6.855 7.772 1.00 0.00 H new ATOM 0 HG23 VAL A 61 -8.806 -7.374 8.076 1.00 0.00 H new ATOM 465 N LYS A 62 -6.336 -5.018 7.587 1.00 0.00 N ATOM 466 CA LYS A 62 -5.045 -5.694 7.277 1.00 0.00 C ATOM 467 C LYS A 62 -5.136 -7.226 7.585 1.00 0.00 C ATOM 468 O LYS A 62 -5.099 -7.654 8.744 1.00 0.00 O ATOM 469 CB LYS A 62 -3.958 -4.909 8.066 1.00 0.00 C ATOM 470 CG LYS A 62 -2.491 -5.362 7.859 1.00 0.00 C ATOM 471 CD LYS A 62 -1.479 -4.198 7.985 1.00 0.00 C ATOM 472 CE LYS A 62 -0.022 -4.655 7.802 1.00 0.00 C ATOM 473 NZ LYS A 62 0.879 -3.474 7.707 1.00 0.00 N ATOM 0 H LYS A 62 -6.301 -4.444 8.430 1.00 0.00 H new ATOM 0 HA LYS A 62 -4.783 -5.670 6.219 1.00 0.00 H new ATOM 0 HB2 LYS A 62 -4.032 -3.856 7.793 1.00 0.00 H new ATOM 0 HB3 LYS A 62 -4.190 -4.980 9.129 1.00 0.00 H new ATOM 0 HG2 LYS A 62 -2.246 -6.131 8.592 1.00 0.00 H new ATOM 0 HG3 LYS A 62 -2.392 -5.818 6.874 1.00 0.00 H new ATOM 0 HD2 LYS A 62 -1.713 -3.437 7.241 1.00 0.00 H new ATOM 0 HD3 LYS A 62 -1.589 -3.731 8.964 1.00 0.00 H new ATOM 0 HE2 LYS A 62 0.278 -5.284 8.641 1.00 0.00 H new ATOM 0 HE3 LYS A 62 0.066 -5.262 6.901 1.00 0.00 H new ATOM 0 HZ1 LYS A 62 1.780 -3.759 7.272 1.00 0.00 H new ATOM 0 HZ2 LYS A 62 0.429 -2.740 7.123 1.00 0.00 H new ATOM 0 HZ3 LYS A 62 1.058 -3.097 8.659 1.00 0.00 H new ATOM 487 N GLY A 63 -5.349 -8.012 6.517 1.00 0.00 N ATOM 488 CA GLY A 63 -5.976 -9.354 6.628 1.00 0.00 C ATOM 489 C GLY A 63 -6.838 -9.732 5.398 1.00 0.00 C ATOM 490 O GLY A 63 -6.649 -10.808 4.825 1.00 0.00 O ATOM 0 H GLY A 63 -5.099 -7.748 5.564 1.00 0.00 H new ATOM 0 HA2 GLY A 63 -5.195 -10.103 6.759 1.00 0.00 H new ATOM 0 HA3 GLY A 63 -6.599 -9.383 7.522 1.00 0.00 H new ATOM 494 N GLN A 64 -7.785 -8.855 5.003 1.00 0.00 N ATOM 495 CA GLN A 64 -8.622 -9.034 3.785 1.00 0.00 C ATOM 496 C GLN A 64 -7.819 -8.770 2.474 1.00 0.00 C ATOM 497 O GLN A 64 -7.011 -7.839 2.401 1.00 0.00 O ATOM 498 CB GLN A 64 -9.848 -8.082 3.871 1.00 0.00 C ATOM 499 CG GLN A 64 -10.899 -8.475 4.937 1.00 0.00 C ATOM 500 CD GLN A 64 -12.168 -7.612 4.893 1.00 0.00 C ATOM 501 OE1 GLN A 64 -12.294 -6.625 5.618 1.00 0.00 O ATOM 502 NE2 GLN A 64 -13.135 -7.967 4.058 1.00 0.00 N ATOM 0 H GLN A 64 -7.995 -7.999 5.517 1.00 0.00 H new ATOM 0 HA GLN A 64 -8.954 -10.072 3.747 1.00 0.00 H new ATOM 0 HB2 GLN A 64 -9.493 -7.074 4.085 1.00 0.00 H new ATOM 0 HB3 GLN A 64 -10.334 -8.049 2.896 1.00 0.00 H new ATOM 0 HG2 GLN A 64 -11.175 -9.520 4.796 1.00 0.00 H new ATOM 0 HG3 GLN A 64 -10.449 -8.395 5.926 1.00 0.00 H new ATOM 0 HE21 GLN A 64 -13.019 -8.787 3.462 1.00 0.00 H new ATOM 0 HE22 GLN A 64 -13.995 -7.420 4.011 1.00 0.00 H new ATOM 511 N VAL A 65 -8.067 -9.599 1.440 1.00 0.00 N ATOM 512 CA VAL A 65 -7.342 -9.527 0.138 1.00 0.00 C ATOM 513 C VAL A 65 -8.130 -8.561 -0.795 1.00 0.00 C ATOM 514 O VAL A 65 -9.238 -8.877 -1.234 1.00 0.00 O ATOM 515 CB VAL A 65 -7.131 -10.956 -0.480 1.00 0.00 C ATOM 516 CG1 VAL A 65 -6.520 -10.944 -1.905 1.00 0.00 C ATOM 517 CG2 VAL A 65 -6.244 -11.868 0.402 1.00 0.00 C ATOM 0 H VAL A 65 -8.770 -10.337 1.475 1.00 0.00 H new ATOM 0 HA VAL A 65 -6.336 -9.131 0.279 1.00 0.00 H new ATOM 0 HB VAL A 65 -8.144 -11.355 -0.534 1.00 0.00 H new ATOM 0 HG11 VAL A 65 -6.406 -11.968 -2.261 1.00 0.00 H new ATOM 0 HG12 VAL A 65 -7.179 -10.397 -2.579 1.00 0.00 H new ATOM 0 HG13 VAL A 65 -5.544 -10.459 -1.879 1.00 0.00 H new ATOM 0 HG21 VAL A 65 -6.134 -12.841 -0.076 1.00 0.00 H new ATOM 0 HG22 VAL A 65 -5.262 -11.411 0.525 1.00 0.00 H new ATOM 0 HG23 VAL A 65 -6.710 -11.994 1.379 1.00 0.00 H new ATOM 527 N VAL A 66 -7.525 -7.404 -1.109 1.00 0.00 N ATOM 528 CA VAL A 66 -8.143 -6.376 -1.994 1.00 0.00 C ATOM 529 C VAL A 66 -7.462 -6.384 -3.399 1.00 0.00 C ATOM 530 O VAL A 66 -6.247 -6.561 -3.548 1.00 0.00 O ATOM 531 CB VAL A 66 -8.179 -4.957 -1.342 1.00 0.00 C ATOM 532 CG1 VAL A 66 -9.131 -4.893 -0.130 1.00 0.00 C ATOM 533 CG2 VAL A 66 -6.799 -4.373 -0.978 1.00 0.00 C ATOM 0 H VAL A 66 -6.600 -7.146 -0.765 1.00 0.00 H new ATOM 0 HA VAL A 66 -9.190 -6.646 -2.135 1.00 0.00 H new ATOM 0 HB VAL A 66 -8.573 -4.318 -2.133 1.00 0.00 H new ATOM 0 HG11 VAL A 66 -9.121 -3.886 0.288 1.00 0.00 H new ATOM 0 HG12 VAL A 66 -10.143 -5.143 -0.449 1.00 0.00 H new ATOM 0 HG13 VAL A 66 -8.803 -5.604 0.628 1.00 0.00 H new ATOM 0 HG21 VAL A 66 -6.927 -3.387 -0.532 1.00 0.00 H new ATOM 0 HG22 VAL A 66 -6.302 -5.031 -0.266 1.00 0.00 H new ATOM 0 HG23 VAL A 66 -6.191 -4.287 -1.879 1.00 0.00 H new ATOM 543 N THR A 67 -8.306 -6.165 -4.416 1.00 0.00 N ATOM 544 CA THR A 67 -7.930 -6.232 -5.851 1.00 0.00 C ATOM 545 C THR A 67 -7.879 -4.765 -6.369 1.00 0.00 C ATOM 546 O THR A 67 -8.905 -4.075 -6.364 1.00 0.00 O ATOM 547 CB THR A 67 -9.004 -7.113 -6.563 1.00 0.00 C ATOM 548 OG1 THR A 67 -9.031 -8.420 -5.992 1.00 0.00 O ATOM 549 CG2 THR A 67 -8.808 -7.295 -8.070 1.00 0.00 C ATOM 0 H THR A 67 -9.288 -5.932 -4.271 1.00 0.00 H new ATOM 0 HA THR A 67 -6.957 -6.685 -6.041 1.00 0.00 H new ATOM 0 HB THR A 67 -9.934 -6.564 -6.413 1.00 0.00 H new ATOM 0 HG1 THR A 67 -9.710 -8.962 -6.446 1.00 0.00 H new ATOM 0 HG21 THR A 67 -9.606 -7.922 -8.468 1.00 0.00 H new ATOM 0 HG22 THR A 67 -8.833 -6.322 -8.560 1.00 0.00 H new ATOM 0 HG23 THR A 67 -7.845 -7.771 -8.257 1.00 0.00 H new ATOM 557 N VAL A 68 -6.686 -4.294 -6.790 1.00 0.00 N ATOM 558 CA VAL A 68 -6.469 -2.862 -7.167 1.00 0.00 C ATOM 559 C VAL A 68 -5.787 -2.771 -8.562 1.00 0.00 C ATOM 560 O VAL A 68 -4.688 -3.300 -8.751 1.00 0.00 O ATOM 561 CB VAL A 68 -5.688 -2.027 -6.086 1.00 0.00 C ATOM 562 CG1 VAL A 68 -6.468 -1.877 -4.762 1.00 0.00 C ATOM 563 CG2 VAL A 68 -4.243 -2.494 -5.779 1.00 0.00 C ATOM 0 H VAL A 68 -5.853 -4.876 -6.881 1.00 0.00 H new ATOM 0 HA VAL A 68 -7.456 -2.403 -7.220 1.00 0.00 H new ATOM 0 HB VAL A 68 -5.597 -1.056 -6.573 1.00 0.00 H new ATOM 0 HG11 VAL A 68 -5.878 -1.292 -4.057 1.00 0.00 H new ATOM 0 HG12 VAL A 68 -7.414 -1.370 -4.952 1.00 0.00 H new ATOM 0 HG13 VAL A 68 -6.663 -2.863 -4.341 1.00 0.00 H new ATOM 0 HG21 VAL A 68 -3.804 -1.845 -5.021 1.00 0.00 H new ATOM 0 HG22 VAL A 68 -4.263 -3.520 -5.412 1.00 0.00 H new ATOM 0 HG23 VAL A 68 -3.644 -2.446 -6.688 1.00 0.00 H new ATOM 573 N HIS A 69 -6.379 -2.003 -9.501 1.00 0.00 N ATOM 574 CA HIS A 69 -5.657 -1.513 -10.710 1.00 0.00 C ATOM 575 C HIS A 69 -4.685 -0.383 -10.270 1.00 0.00 C ATOM 576 O HIS A 69 -5.094 0.750 -10.003 1.00 0.00 O ATOM 577 CB HIS A 69 -6.663 -1.078 -11.814 1.00 0.00 C ATOM 578 CG HIS A 69 -6.144 -0.316 -13.049 1.00 0.00 C ATOM 579 ND1 HIS A 69 -6.905 0.629 -13.710 1.00 0.00 N ATOM 580 CD2 HIS A 69 -4.881 -0.420 -13.678 1.00 0.00 C ATOM 581 CE1 HIS A 69 -6.025 1.014 -14.686 1.00 0.00 C ATOM 582 NE2 HIS A 69 -4.779 0.444 -14.758 1.00 0.00 N ATOM 0 H HIS A 69 -7.353 -1.705 -9.452 1.00 0.00 H new ATOM 0 HA HIS A 69 -5.064 -2.309 -11.161 1.00 0.00 H new ATOM 0 HB2 HIS A 69 -7.166 -1.976 -12.171 1.00 0.00 H new ATOM 0 HB3 HIS A 69 -7.421 -0.455 -11.339 1.00 0.00 H new ATOM 0 HD2 HIS A 69 -4.095 -1.088 -13.357 1.00 0.00 H new ATOM 0 HE1 HIS A 69 -6.313 1.769 -15.402 1.00 0.00 H new ATOM 0 HE2 HIS A 69 -4.011 0.606 -15.409 1.00 0.00 H new ATOM 590 N LEU A 70 -3.398 -0.752 -10.205 1.00 0.00 N ATOM 591 CA LEU A 70 -2.311 0.146 -9.767 1.00 0.00 C ATOM 592 C LEU A 70 -1.568 0.634 -11.034 1.00 0.00 C ATOM 593 O LEU A 70 -0.753 -0.093 -11.610 1.00 0.00 O ATOM 594 CB LEU A 70 -1.413 -0.647 -8.780 1.00 0.00 C ATOM 595 CG LEU A 70 -0.353 0.184 -8.011 1.00 0.00 C ATOM 596 CD1 LEU A 70 -1.017 1.128 -6.982 1.00 0.00 C ATOM 597 CD2 LEU A 70 0.664 -0.757 -7.336 1.00 0.00 C ATOM 0 H LEU A 70 -3.076 -1.687 -10.456 1.00 0.00 H new ATOM 0 HA LEU A 70 -2.666 1.031 -9.239 1.00 0.00 H new ATOM 0 HB2 LEU A 70 -2.056 -1.143 -8.052 1.00 0.00 H new ATOM 0 HB3 LEU A 70 -0.898 -1.430 -9.337 1.00 0.00 H new ATOM 0 HG LEU A 70 0.179 0.813 -8.725 1.00 0.00 H new ATOM 0 HD11 LEU A 70 -0.247 1.696 -6.460 1.00 0.00 H new ATOM 0 HD12 LEU A 70 -1.688 1.815 -7.498 1.00 0.00 H new ATOM 0 HD13 LEU A 70 -1.585 0.539 -6.262 1.00 0.00 H new ATOM 0 HD21 LEU A 70 1.405 -0.166 -6.798 1.00 0.00 H new ATOM 0 HD22 LEU A 70 0.145 -1.412 -6.636 1.00 0.00 H new ATOM 0 HD23 LEU A 70 1.162 -1.359 -8.096 1.00 0.00 H new ATOM 609 N GLN A 71 -1.888 1.863 -11.467 1.00 0.00 N ATOM 610 CA GLN A 71 -1.371 2.421 -12.745 1.00 0.00 C ATOM 611 C GLN A 71 -0.082 3.242 -12.454 1.00 0.00 C ATOM 612 O GLN A 71 -0.149 4.440 -12.159 1.00 0.00 O ATOM 613 CB GLN A 71 -2.511 3.230 -13.421 1.00 0.00 C ATOM 614 CG GLN A 71 -2.244 3.560 -14.906 1.00 0.00 C ATOM 615 CD GLN A 71 -3.348 4.424 -15.533 1.00 0.00 C ATOM 616 OE1 GLN A 71 -4.374 3.919 -15.985 1.00 0.00 O ATOM 617 NE2 GLN A 71 -3.162 5.735 -15.574 1.00 0.00 N ATOM 0 H GLN A 71 -2.503 2.497 -10.956 1.00 0.00 H new ATOM 0 HA GLN A 71 -1.079 1.643 -13.451 1.00 0.00 H new ATOM 0 HB2 GLN A 71 -3.440 2.664 -13.345 1.00 0.00 H new ATOM 0 HB3 GLN A 71 -2.659 4.160 -12.872 1.00 0.00 H new ATOM 0 HG2 GLN A 71 -1.290 4.080 -14.992 1.00 0.00 H new ATOM 0 HG3 GLN A 71 -2.153 2.631 -15.469 1.00 0.00 H new ATOM 0 HE21 GLN A 71 -2.306 6.141 -15.195 1.00 0.00 H new ATOM 0 HE22 GLN A 71 -3.875 6.339 -15.984 1.00 0.00 H new ATOM 626 N THR A 72 1.086 2.568 -12.510 1.00 0.00 N ATOM 627 CA THR A 72 2.366 3.125 -11.991 1.00 0.00 C ATOM 628 C THR A 72 3.096 3.896 -13.129 1.00 0.00 C ATOM 629 O THR A 72 3.417 3.330 -14.180 1.00 0.00 O ATOM 630 CB THR A 72 3.246 1.997 -11.368 1.00 0.00 C ATOM 631 OG1 THR A 72 2.495 1.240 -10.420 1.00 0.00 O ATOM 632 CG2 THR A 72 4.506 2.494 -10.640 1.00 0.00 C ATOM 0 H THR A 72 1.175 1.634 -12.910 1.00 0.00 H new ATOM 0 HA THR A 72 2.161 3.834 -11.189 1.00 0.00 H new ATOM 0 HB THR A 72 3.560 1.400 -12.224 1.00 0.00 H new ATOM 0 HG1 THR A 72 3.062 0.536 -10.041 1.00 0.00 H new ATOM 0 HG21 THR A 72 5.055 1.642 -10.240 1.00 0.00 H new ATOM 0 HG22 THR A 72 5.140 3.038 -11.340 1.00 0.00 H new ATOM 0 HG23 THR A 72 4.217 3.155 -9.823 1.00 0.00 H new ATOM 640 N SER A 73 3.349 5.187 -12.869 1.00 0.00 N ATOM 641 CA SER A 73 4.050 6.108 -13.802 1.00 0.00 C ATOM 642 C SER A 73 5.297 6.754 -13.114 1.00 0.00 C ATOM 643 O SER A 73 5.582 6.535 -11.930 1.00 0.00 O ATOM 644 CB SER A 73 3.025 7.151 -14.321 1.00 0.00 C ATOM 645 OG SER A 73 2.012 6.533 -15.106 1.00 0.00 O ATOM 0 H SER A 73 3.072 5.636 -11.996 1.00 0.00 H new ATOM 0 HA SER A 73 4.442 5.563 -14.660 1.00 0.00 H new ATOM 0 HB2 SER A 73 2.569 7.668 -13.476 1.00 0.00 H new ATOM 0 HB3 SER A 73 3.540 7.905 -14.916 1.00 0.00 H new ATOM 0 HG SER A 73 1.379 7.213 -15.418 1.00 0.00 H new ATOM 651 N LEU A 74 6.067 7.546 -13.891 1.00 0.00 N ATOM 652 CA LEU A 74 7.286 8.246 -13.403 1.00 0.00 C ATOM 653 C LEU A 74 6.861 9.534 -12.642 1.00 0.00 C ATOM 654 O LEU A 74 6.739 9.493 -11.417 1.00 0.00 O ATOM 655 CB LEU A 74 8.297 8.405 -14.584 1.00 0.00 C ATOM 656 CG LEU A 74 9.769 8.738 -14.209 1.00 0.00 C ATOM 657 CD1 LEU A 74 10.735 8.316 -15.335 1.00 0.00 C ATOM 658 CD2 LEU A 74 10.011 10.217 -13.848 1.00 0.00 C ATOM 0 H LEU A 74 5.865 7.721 -14.875 1.00 0.00 H new ATOM 0 HA LEU A 74 7.842 7.673 -12.661 1.00 0.00 H new ATOM 0 HB2 LEU A 74 8.295 7.479 -15.160 1.00 0.00 H new ATOM 0 HB3 LEU A 74 7.928 9.191 -15.243 1.00 0.00 H new ATOM 0 HG LEU A 74 9.969 8.160 -13.307 1.00 0.00 H new ATOM 0 HD11 LEU A 74 11.758 8.560 -15.047 1.00 0.00 H new ATOM 0 HD12 LEU A 74 10.652 7.242 -15.503 1.00 0.00 H new ATOM 0 HD13 LEU A 74 10.479 8.847 -16.252 1.00 0.00 H new ATOM 0 HD21 LEU A 74 11.062 10.364 -13.599 1.00 0.00 H new ATOM 0 HD22 LEU A 74 9.748 10.847 -14.698 1.00 0.00 H new ATOM 0 HD23 LEU A 74 9.394 10.488 -12.991 1.00 0.00 H new ATOM 670 N GLU A 75 6.609 10.647 -13.353 1.00 0.00 N ATOM 671 CA GLU A 75 6.143 11.921 -12.748 1.00 0.00 C ATOM 672 C GLU A 75 5.065 12.568 -13.671 1.00 0.00 C ATOM 673 O GLU A 75 3.881 12.579 -13.317 1.00 0.00 O ATOM 674 CB GLU A 75 7.389 12.796 -12.415 1.00 0.00 C ATOM 675 CG GLU A 75 7.090 14.150 -11.731 1.00 0.00 C ATOM 676 CD GLU A 75 6.541 14.062 -10.315 1.00 0.00 C ATOM 677 OE1 GLU A 75 7.347 13.992 -9.364 1.00 0.00 O ATOM 678 OE2 GLU A 75 5.304 14.084 -10.149 1.00 0.00 O ATOM 0 H GLU A 75 6.721 10.695 -14.366 1.00 0.00 H new ATOM 0 HA GLU A 75 5.632 11.777 -11.796 1.00 0.00 H new ATOM 0 HB2 GLU A 75 8.052 12.221 -11.769 1.00 0.00 H new ATOM 0 HB3 GLU A 75 7.933 12.989 -13.340 1.00 0.00 H new ATOM 0 HG2 GLU A 75 8.008 14.737 -11.710 1.00 0.00 H new ATOM 0 HG3 GLU A 75 6.375 14.698 -12.346 1.00 0.00 H new ATOM 685 N ASN A 76 5.466 13.075 -14.860 1.00 0.00 N ATOM 686 CA ASN A 76 4.535 13.752 -15.809 1.00 0.00 C ATOM 687 C ASN A 76 4.068 12.768 -16.929 1.00 0.00 C ATOM 688 O ASN A 76 4.386 12.940 -18.111 1.00 0.00 O ATOM 689 CB ASN A 76 5.210 15.043 -16.363 1.00 0.00 C ATOM 690 CG ASN A 76 5.536 16.138 -15.322 1.00 0.00 C ATOM 691 OD1 ASN A 76 4.647 16.812 -14.801 1.00 0.00 O ATOM 692 ND2 ASN A 76 6.806 16.319 -14.995 1.00 0.00 N ATOM 0 H ASN A 76 6.430 13.030 -15.191 1.00 0.00 H new ATOM 0 HA ASN A 76 3.628 14.057 -15.287 1.00 0.00 H new ATOM 0 HB2 ASN A 76 6.135 14.759 -16.864 1.00 0.00 H new ATOM 0 HB3 ASN A 76 4.556 15.474 -17.121 1.00 0.00 H new ATOM 0 HD21 ASN A 76 7.059 17.024 -14.303 1.00 0.00 H new ATOM 0 HD22 ASN A 76 7.532 15.753 -15.435 1.00 0.00 H new ATOM 699 N GLY A 77 3.291 11.734 -16.539 1.00 0.00 N ATOM 700 CA GLY A 77 2.689 10.755 -17.474 1.00 0.00 C ATOM 701 C GLY A 77 3.645 9.918 -18.353 1.00 0.00 C ATOM 702 O GLY A 77 3.604 10.057 -19.579 1.00 0.00 O ATOM 0 H GLY A 77 3.062 11.553 -15.562 1.00 0.00 H new ATOM 0 HA2 GLY A 77 2.080 10.065 -16.890 1.00 0.00 H new ATOM 0 HA3 GLY A 77 2.012 11.296 -18.136 1.00 0.00 H new ATOM 706 N THR A 78 4.467 9.047 -17.738 1.00 0.00 N ATOM 707 CA THR A 78 5.328 8.086 -18.483 1.00 0.00 C ATOM 708 C THR A 78 5.112 6.715 -17.789 1.00 0.00 C ATOM 709 O THR A 78 5.645 6.490 -16.701 1.00 0.00 O ATOM 710 CB THR A 78 6.815 8.559 -18.499 1.00 0.00 C ATOM 711 OG1 THR A 78 6.913 9.838 -19.120 1.00 0.00 O ATOM 712 CG2 THR A 78 7.772 7.618 -19.252 1.00 0.00 C ATOM 0 H THR A 78 4.559 8.983 -16.724 1.00 0.00 H new ATOM 0 HA THR A 78 5.063 8.013 -19.538 1.00 0.00 H new ATOM 0 HB THR A 78 7.115 8.579 -17.451 1.00 0.00 H new ATOM 0 HG1 THR A 78 7.849 10.129 -19.125 1.00 0.00 H new ATOM 0 HG21 THR A 78 8.784 8.022 -19.214 1.00 0.00 H new ATOM 0 HG22 THR A 78 7.756 6.633 -18.785 1.00 0.00 H new ATOM 0 HG23 THR A 78 7.455 7.532 -20.291 1.00 0.00 H new ATOM 720 N ARG A 79 4.337 5.807 -18.418 1.00 0.00 N ATOM 721 CA ARG A 79 3.950 4.506 -17.796 1.00 0.00 C ATOM 722 C ARG A 79 5.154 3.516 -17.681 1.00 0.00 C ATOM 723 O ARG A 79 5.625 2.950 -18.675 1.00 0.00 O ATOM 724 CB ARG A 79 2.764 3.855 -18.561 1.00 0.00 C ATOM 725 CG ARG A 79 1.418 4.622 -18.499 1.00 0.00 C ATOM 726 CD ARG A 79 0.259 3.762 -19.028 1.00 0.00 C ATOM 727 NE ARG A 79 -1.013 4.521 -19.037 1.00 0.00 N ATOM 728 CZ ARG A 79 -2.220 3.989 -19.243 1.00 0.00 C ATOM 729 NH1 ARG A 79 -2.443 2.720 -19.499 1.00 0.00 N ATOM 730 NH2 ARG A 79 -3.252 4.782 -19.188 1.00 0.00 N ATOM 0 H ARG A 79 3.963 5.943 -19.357 1.00 0.00 H new ATOM 0 HA ARG A 79 3.626 4.726 -16.779 1.00 0.00 H new ATOM 0 HB2 ARG A 79 3.049 3.743 -19.607 1.00 0.00 H new ATOM 0 HB3 ARG A 79 2.607 2.852 -18.164 1.00 0.00 H new ATOM 0 HG2 ARG A 79 1.213 4.919 -17.470 1.00 0.00 H new ATOM 0 HG3 ARG A 79 1.492 5.537 -19.086 1.00 0.00 H new ATOM 0 HD2 ARG A 79 0.488 3.420 -20.037 1.00 0.00 H new ATOM 0 HD3 ARG A 79 0.150 2.873 -18.407 1.00 0.00 H new ATOM 0 HE ARG A 79 -0.963 5.527 -18.873 1.00 0.00 H new ATOM 0 HH11 ARG A 79 -1.662 2.066 -19.552 1.00 0.00 H new ATOM 0 HH12 ARG A 79 -3.397 2.389 -19.645 1.00 0.00 H new ATOM 0 HH21 ARG A 79 -3.123 5.775 -18.993 1.00 0.00 H new ATOM 0 HH22 ARG A 79 -4.190 4.410 -19.340 1.00 0.00 H new ATOM 744 N VAL A 80 5.630 3.339 -16.438 1.00 0.00 N ATOM 745 CA VAL A 80 6.805 2.481 -16.111 1.00 0.00 C ATOM 746 C VAL A 80 6.418 0.987 -15.875 1.00 0.00 C ATOM 747 O VAL A 80 7.006 0.112 -16.518 1.00 0.00 O ATOM 748 CB VAL A 80 7.713 3.118 -15.002 1.00 0.00 C ATOM 749 CG1 VAL A 80 8.432 4.397 -15.492 1.00 0.00 C ATOM 750 CG2 VAL A 80 7.020 3.393 -13.645 1.00 0.00 C ATOM 0 H VAL A 80 5.216 3.785 -15.620 1.00 0.00 H new ATOM 0 HA VAL A 80 7.439 2.447 -16.997 1.00 0.00 H new ATOM 0 HB VAL A 80 8.447 2.336 -14.809 1.00 0.00 H new ATOM 0 HG11 VAL A 80 9.048 4.799 -14.687 1.00 0.00 H new ATOM 0 HG12 VAL A 80 9.064 4.154 -16.346 1.00 0.00 H new ATOM 0 HG13 VAL A 80 7.691 5.140 -15.788 1.00 0.00 H new ATOM 0 HG21 VAL A 80 7.738 3.833 -12.952 1.00 0.00 H new ATOM 0 HG22 VAL A 80 6.189 4.083 -13.794 1.00 0.00 H new ATOM 0 HG23 VAL A 80 6.644 2.457 -13.232 1.00 0.00 H new ATOM 760 N GLN A 81 5.441 0.695 -14.990 1.00 0.00 N ATOM 761 CA GLN A 81 4.901 -0.679 -14.795 1.00 0.00 C ATOM 762 C GLN A 81 3.362 -0.579 -14.593 1.00 0.00 C ATOM 763 O GLN A 81 2.861 -0.605 -13.464 1.00 0.00 O ATOM 764 CB GLN A 81 5.660 -1.375 -13.629 1.00 0.00 C ATOM 765 CG GLN A 81 5.370 -2.888 -13.485 1.00 0.00 C ATOM 766 CD GLN A 81 6.175 -3.555 -12.357 1.00 0.00 C ATOM 767 OE1 GLN A 81 5.829 -3.457 -11.180 1.00 0.00 O ATOM 768 NE2 GLN A 81 7.254 -4.249 -12.687 1.00 0.00 N ATOM 0 H GLN A 81 5.003 1.396 -14.392 1.00 0.00 H new ATOM 0 HA GLN A 81 5.063 -1.309 -15.669 1.00 0.00 H new ATOM 0 HB2 GLN A 81 6.731 -1.236 -13.776 1.00 0.00 H new ATOM 0 HB3 GLN A 81 5.399 -0.878 -12.695 1.00 0.00 H new ATOM 0 HG2 GLN A 81 4.306 -3.031 -13.297 1.00 0.00 H new ATOM 0 HG3 GLN A 81 5.597 -3.386 -14.428 1.00 0.00 H new ATOM 0 HE21 GLN A 81 7.532 -4.324 -13.665 1.00 0.00 H new ATOM 0 HE22 GLN A 81 7.806 -4.708 -11.963 1.00 0.00 H new ATOM 777 N GLU A 82 2.608 -0.492 -15.708 1.00 0.00 N ATOM 778 CA GLU A 82 1.118 -0.422 -15.680 1.00 0.00 C ATOM 779 C GLU A 82 0.459 -1.813 -15.387 1.00 0.00 C ATOM 780 O GLU A 82 0.598 -2.766 -16.160 1.00 0.00 O ATOM 781 CB GLU A 82 0.616 0.286 -16.965 1.00 0.00 C ATOM 782 CG GLU A 82 0.798 -0.444 -18.326 1.00 0.00 C ATOM 783 CD GLU A 82 0.514 0.435 -19.532 1.00 0.00 C ATOM 784 OE1 GLU A 82 -0.663 0.778 -19.767 1.00 0.00 O ATOM 785 OE2 GLU A 82 1.474 0.849 -20.212 1.00 0.00 O ATOM 0 H GLU A 82 3.002 -0.468 -16.648 1.00 0.00 H new ATOM 0 HA GLU A 82 0.793 0.188 -14.837 1.00 0.00 H new ATOM 0 HB2 GLU A 82 -0.447 0.493 -16.838 1.00 0.00 H new ATOM 0 HB3 GLU A 82 1.122 1.249 -17.034 1.00 0.00 H new ATOM 0 HG2 GLU A 82 1.819 -0.820 -18.393 1.00 0.00 H new ATOM 0 HG3 GLU A 82 0.137 -1.310 -18.355 1.00 0.00 H new ATOM 792 N GLU A 83 -0.210 -1.931 -14.226 1.00 0.00 N ATOM 793 CA GLU A 83 -0.480 -3.248 -13.588 1.00 0.00 C ATOM 794 C GLU A 83 -2.016 -3.427 -13.308 1.00 0.00 C ATOM 795 O GLU A 83 -2.498 -2.921 -12.285 1.00 0.00 O ATOM 796 CB GLU A 83 0.444 -3.304 -12.340 1.00 0.00 C ATOM 797 CG GLU A 83 0.544 -4.670 -11.622 1.00 0.00 C ATOM 798 CD GLU A 83 1.657 -4.699 -10.580 1.00 0.00 C ATOM 799 OE1 GLU A 83 1.569 -3.963 -9.575 1.00 0.00 O ATOM 800 OE2 GLU A 83 2.630 -5.457 -10.772 1.00 0.00 O ATOM 0 H GLU A 83 -0.577 -1.135 -13.704 1.00 0.00 H new ATOM 0 HA GLU A 83 -0.247 -4.099 -14.228 1.00 0.00 H new ATOM 0 HB2 GLU A 83 1.447 -3.003 -12.643 1.00 0.00 H new ATOM 0 HB3 GLU A 83 0.093 -2.564 -11.621 1.00 0.00 H new ATOM 0 HG2 GLU A 83 -0.407 -4.894 -11.140 1.00 0.00 H new ATOM 0 HG3 GLU A 83 0.720 -5.453 -12.360 1.00 0.00 H new ATOM 807 N PRO A 84 -2.829 -4.120 -14.167 1.00 0.00 N ATOM 808 CA PRO A 84 -4.268 -4.366 -13.921 1.00 0.00 C ATOM 809 C PRO A 84 -4.472 -5.561 -12.939 1.00 0.00 C ATOM 810 O PRO A 84 -4.192 -6.723 -13.250 1.00 0.00 O ATOM 811 CB PRO A 84 -4.786 -4.607 -15.352 1.00 0.00 C ATOM 812 CG PRO A 84 -3.629 -5.262 -16.112 1.00 0.00 C ATOM 813 CD PRO A 84 -2.363 -4.795 -15.387 1.00 0.00 C ATOM 0 HA PRO A 84 -4.807 -3.559 -13.424 1.00 0.00 H new ATOM 0 HB2 PRO A 84 -5.664 -5.252 -15.346 1.00 0.00 H new ATOM 0 HB3 PRO A 84 -5.082 -3.670 -15.823 1.00 0.00 H new ATOM 0 HG2 PRO A 84 -3.713 -6.349 -16.099 1.00 0.00 H new ATOM 0 HG3 PRO A 84 -3.620 -4.956 -17.158 1.00 0.00 H new ATOM 0 HD2 PRO A 84 -1.717 -5.639 -15.145 1.00 0.00 H new ATOM 0 HD3 PRO A 84 -1.782 -4.117 -16.012 1.00 0.00 H new ATOM 821 N GLU A 85 -4.909 -5.192 -11.732 1.00 0.00 N ATOM 822 CA GLU A 85 -5.056 -6.103 -10.559 1.00 0.00 C ATOM 823 C GLU A 85 -3.726 -6.669 -9.954 1.00 0.00 C ATOM 824 O GLU A 85 -3.365 -7.836 -10.141 1.00 0.00 O ATOM 825 CB GLU A 85 -6.272 -7.080 -10.505 1.00 0.00 C ATOM 826 CG GLU A 85 -6.606 -8.066 -11.653 1.00 0.00 C ATOM 827 CD GLU A 85 -7.683 -7.545 -12.584 1.00 0.00 C ATOM 828 OE1 GLU A 85 -8.872 -7.564 -12.207 1.00 0.00 O ATOM 829 OE2 GLU A 85 -7.350 -6.978 -13.644 1.00 0.00 O ATOM 0 H GLU A 85 -5.181 -4.231 -11.523 1.00 0.00 H new ATOM 0 HA GLU A 85 -5.389 -5.358 -9.837 1.00 0.00 H new ATOM 0 HB2 GLU A 85 -6.147 -7.682 -9.605 1.00 0.00 H new ATOM 0 HB3 GLU A 85 -7.159 -6.464 -10.356 1.00 0.00 H new ATOM 0 HG2 GLU A 85 -5.702 -8.266 -12.228 1.00 0.00 H new ATOM 0 HG3 GLU A 85 -6.930 -9.016 -11.227 1.00 0.00 H new ATOM 836 N LEU A 86 -3.085 -5.824 -9.122 1.00 0.00 N ATOM 837 CA LEU A 86 -2.130 -6.244 -8.063 1.00 0.00 C ATOM 838 C LEU A 86 -2.969 -6.808 -6.874 1.00 0.00 C ATOM 839 O LEU A 86 -3.610 -6.051 -6.140 1.00 0.00 O ATOM 840 CB LEU A 86 -1.258 -4.981 -7.758 1.00 0.00 C ATOM 841 CG LEU A 86 -0.220 -4.921 -6.593 1.00 0.00 C ATOM 842 CD1 LEU A 86 -0.813 -4.313 -5.312 1.00 0.00 C ATOM 843 CD2 LEU A 86 0.542 -6.221 -6.272 1.00 0.00 C ATOM 0 H LEU A 86 -3.215 -4.813 -9.163 1.00 0.00 H new ATOM 0 HA LEU A 86 -1.444 -7.047 -8.332 1.00 0.00 H new ATOM 0 HB2 LEU A 86 -0.709 -4.757 -8.672 1.00 0.00 H new ATOM 0 HB3 LEU A 86 -1.954 -4.158 -7.594 1.00 0.00 H new ATOM 0 HG LEU A 86 0.541 -4.255 -6.998 1.00 0.00 H new ATOM 0 HD11 LEU A 86 -0.052 -4.294 -4.532 1.00 0.00 H new ATOM 0 HD12 LEU A 86 -1.151 -3.297 -5.514 1.00 0.00 H new ATOM 0 HD13 LEU A 86 -1.657 -4.917 -4.980 1.00 0.00 H new ATOM 0 HD21 LEU A 86 1.230 -6.045 -5.445 1.00 0.00 H new ATOM 0 HD22 LEU A 86 -0.168 -7.000 -5.993 1.00 0.00 H new ATOM 0 HD23 LEU A 86 1.104 -6.540 -7.150 1.00 0.00 H new ATOM 855 N VAL A 87 -3.003 -8.151 -6.752 1.00 0.00 N ATOM 856 CA VAL A 87 -3.850 -8.864 -5.750 1.00 0.00 C ATOM 857 C VAL A 87 -2.933 -9.172 -4.531 1.00 0.00 C ATOM 858 O VAL A 87 -1.906 -9.849 -4.659 1.00 0.00 O ATOM 859 CB VAL A 87 -4.521 -10.154 -6.340 1.00 0.00 C ATOM 860 CG1 VAL A 87 -5.397 -10.905 -5.310 1.00 0.00 C ATOM 861 CG2 VAL A 87 -5.418 -9.864 -7.564 1.00 0.00 C ATOM 0 H VAL A 87 -2.450 -8.777 -7.338 1.00 0.00 H new ATOM 0 HA VAL A 87 -4.690 -8.239 -5.446 1.00 0.00 H new ATOM 0 HB VAL A 87 -3.673 -10.772 -6.634 1.00 0.00 H new ATOM 0 HG11 VAL A 87 -5.833 -11.787 -5.778 1.00 0.00 H new ATOM 0 HG12 VAL A 87 -4.782 -11.210 -4.463 1.00 0.00 H new ATOM 0 HG13 VAL A 87 -6.194 -10.248 -4.962 1.00 0.00 H new ATOM 0 HG21 VAL A 87 -5.853 -10.796 -7.925 1.00 0.00 H new ATOM 0 HG22 VAL A 87 -6.216 -9.179 -7.276 1.00 0.00 H new ATOM 0 HG23 VAL A 87 -4.819 -9.412 -8.355 1.00 0.00 H new ATOM 871 N PHE A 88 -3.326 -8.657 -3.358 1.00 0.00 N ATOM 872 CA PHE A 88 -2.457 -8.641 -2.152 1.00 0.00 C ATOM 873 C PHE A 88 -3.336 -8.685 -0.872 1.00 0.00 C ATOM 874 O PHE A 88 -4.404 -8.067 -0.814 1.00 0.00 O ATOM 875 CB PHE A 88 -1.499 -7.406 -2.177 1.00 0.00 C ATOM 876 CG PHE A 88 -2.089 -6.002 -1.896 1.00 0.00 C ATOM 877 CD1 PHE A 88 -3.049 -5.429 -2.741 1.00 0.00 C ATOM 878 CD2 PHE A 88 -1.654 -5.283 -0.779 1.00 0.00 C ATOM 879 CE1 PHE A 88 -3.532 -4.149 -2.491 1.00 0.00 C ATOM 880 CE2 PHE A 88 -2.146 -4.006 -0.530 1.00 0.00 C ATOM 881 CZ PHE A 88 -3.084 -3.445 -1.381 1.00 0.00 C ATOM 0 H PHE A 88 -4.245 -8.241 -3.209 1.00 0.00 H new ATOM 0 HA PHE A 88 -1.823 -9.527 -2.148 1.00 0.00 H new ATOM 0 HB2 PHE A 88 -0.710 -7.585 -1.447 1.00 0.00 H new ATOM 0 HB3 PHE A 88 -1.025 -7.375 -3.158 1.00 0.00 H new ATOM 0 HD1 PHE A 88 -3.416 -5.985 -3.591 1.00 0.00 H new ATOM 0 HD2 PHE A 88 -0.932 -5.721 -0.106 1.00 0.00 H new ATOM 0 HE1 PHE A 88 -4.254 -3.703 -3.159 1.00 0.00 H new ATOM 0 HE2 PHE A 88 -1.796 -3.451 0.328 1.00 0.00 H new ATOM 0 HZ PHE A 88 -3.469 -2.456 -1.180 1.00 0.00 H new ATOM 891 N THR A 89 -2.806 -9.307 0.201 1.00 0.00 N ATOM 892 CA THR A 89 -3.311 -9.082 1.589 1.00 0.00 C ATOM 893 C THR A 89 -2.989 -7.610 1.995 1.00 0.00 C ATOM 894 O THR A 89 -1.835 -7.183 1.891 1.00 0.00 O ATOM 895 CB THR A 89 -2.683 -10.112 2.574 1.00 0.00 C ATOM 896 OG1 THR A 89 -2.920 -11.443 2.124 1.00 0.00 O ATOM 897 CG2 THR A 89 -3.217 -10.020 4.013 1.00 0.00 C ATOM 0 H THR A 89 -2.031 -9.968 0.143 1.00 0.00 H new ATOM 0 HA THR A 89 -4.390 -9.232 1.630 1.00 0.00 H new ATOM 0 HB THR A 89 -1.621 -9.865 2.588 1.00 0.00 H new ATOM 0 HG1 THR A 89 -2.518 -12.078 2.753 1.00 0.00 H new ATOM 0 HG21 THR A 89 -2.727 -10.772 4.632 1.00 0.00 H new ATOM 0 HG22 THR A 89 -3.010 -9.028 4.415 1.00 0.00 H new ATOM 0 HG23 THR A 89 -4.293 -10.194 4.014 1.00 0.00 H new ATOM 905 N LEU A 90 -4.029 -6.855 2.401 1.00 0.00 N ATOM 906 CA LEU A 90 -4.001 -5.366 2.500 1.00 0.00 C ATOM 907 C LEU A 90 -2.884 -4.842 3.447 1.00 0.00 C ATOM 908 O LEU A 90 -2.994 -4.957 4.667 1.00 0.00 O ATOM 909 CB LEU A 90 -5.437 -4.917 2.899 1.00 0.00 C ATOM 910 CG LEU A 90 -5.747 -3.393 2.996 1.00 0.00 C ATOM 911 CD1 LEU A 90 -7.249 -3.136 2.778 1.00 0.00 C ATOM 912 CD2 LEU A 90 -5.343 -2.762 4.344 1.00 0.00 C ATOM 0 H LEU A 90 -4.925 -7.258 2.674 1.00 0.00 H new ATOM 0 HA LEU A 90 -3.733 -4.920 1.542 1.00 0.00 H new ATOM 0 HB2 LEU A 90 -6.130 -5.350 2.178 1.00 0.00 H new ATOM 0 HB3 LEU A 90 -5.665 -5.363 3.867 1.00 0.00 H new ATOM 0 HG LEU A 90 -5.147 -2.925 2.215 1.00 0.00 H new ATOM 0 HD11 LEU A 90 -7.449 -2.067 2.849 1.00 0.00 H new ATOM 0 HD12 LEU A 90 -7.540 -3.495 1.791 1.00 0.00 H new ATOM 0 HD13 LEU A 90 -7.823 -3.664 3.540 1.00 0.00 H new ATOM 0 HD21 LEU A 90 -5.589 -1.700 4.337 1.00 0.00 H new ATOM 0 HD22 LEU A 90 -5.883 -3.254 5.153 1.00 0.00 H new ATOM 0 HD23 LEU A 90 -4.271 -2.885 4.496 1.00 0.00 H new ATOM 924 N GLY A 91 -1.789 -4.327 2.862 1.00 0.00 N ATOM 925 CA GLY A 91 -0.566 -3.984 3.621 1.00 0.00 C ATOM 926 C GLY A 91 0.427 -5.127 3.946 1.00 0.00 C ATOM 927 O GLY A 91 1.639 -4.910 3.869 1.00 0.00 O ATOM 0 H GLY A 91 -1.723 -4.137 1.862 1.00 0.00 H new ATOM 0 HA2 GLY A 91 -0.026 -3.221 3.060 1.00 0.00 H new ATOM 0 HA3 GLY A 91 -0.873 -3.529 4.563 1.00 0.00 H new ATOM 931 N ASP A 92 -0.077 -6.303 4.364 1.00 0.00 N ATOM 932 CA ASP A 92 0.744 -7.396 4.954 1.00 0.00 C ATOM 933 C ASP A 92 1.630 -8.190 3.938 1.00 0.00 C ATOM 934 O ASP A 92 2.849 -8.266 4.133 1.00 0.00 O ATOM 935 CB ASP A 92 -0.213 -8.292 5.803 1.00 0.00 C ATOM 936 CG ASP A 92 0.312 -8.588 7.200 1.00 0.00 C ATOM 937 OD1 ASP A 92 0.130 -7.733 8.093 1.00 0.00 O ATOM 938 OD2 ASP A 92 0.904 -9.665 7.411 1.00 0.00 O ATOM 0 H ASP A 92 -1.070 -6.530 4.305 1.00 0.00 H new ATOM 0 HA ASP A 92 1.507 -6.953 5.595 1.00 0.00 H new ATOM 0 HB2 ASP A 92 -1.182 -7.799 5.885 1.00 0.00 H new ATOM 0 HB3 ASP A 92 -0.377 -9.233 5.278 1.00 0.00 H new ATOM 943 N CYS A 93 1.030 -8.765 2.872 1.00 0.00 N ATOM 944 CA CYS A 93 1.764 -9.607 1.892 1.00 0.00 C ATOM 945 C CYS A 93 2.498 -8.744 0.831 1.00 0.00 C ATOM 946 O CYS A 93 1.871 -8.169 -0.067 1.00 0.00 O ATOM 947 CB CYS A 93 0.789 -10.597 1.222 1.00 0.00 C ATOM 948 SG CYS A 93 1.688 -11.659 0.042 1.00 0.00 S ATOM 0 H CYS A 93 0.036 -8.663 2.665 1.00 0.00 H new ATOM 0 HA CYS A 93 2.528 -10.170 2.428 1.00 0.00 H new ATOM 0 HB2 CYS A 93 0.304 -11.212 1.980 1.00 0.00 H new ATOM 0 HB3 CYS A 93 0.001 -10.050 0.704 1.00 0.00 H new ATOM 0 HG CYS A 93 0.857 -12.490 -0.514 1.00 0.00 H new ATOM 954 N ASP A 94 3.841 -8.709 0.944 1.00 0.00 N ATOM 955 CA ASP A 94 4.776 -8.126 -0.072 1.00 0.00 C ATOM 956 C ASP A 94 4.962 -6.571 -0.051 1.00 0.00 C ATOM 957 O ASP A 94 6.098 -6.083 -0.074 1.00 0.00 O ATOM 958 CB ASP A 94 4.556 -8.703 -1.506 1.00 0.00 C ATOM 959 CG ASP A 94 5.797 -8.668 -2.398 1.00 0.00 C ATOM 960 OD1 ASP A 94 6.701 -9.509 -2.203 1.00 0.00 O ATOM 961 OD2 ASP A 94 5.874 -7.795 -3.287 1.00 0.00 O ATOM 0 H ASP A 94 4.328 -9.090 1.756 1.00 0.00 H new ATOM 0 HA ASP A 94 5.749 -8.479 0.270 1.00 0.00 H new ATOM 0 HB2 ASP A 94 4.214 -9.734 -1.421 1.00 0.00 H new ATOM 0 HB3 ASP A 94 3.758 -8.141 -1.992 1.00 0.00 H new ATOM 966 N VAL A 95 3.856 -5.805 -0.075 1.00 0.00 N ATOM 967 CA VAL A 95 3.823 -4.443 -0.679 1.00 0.00 C ATOM 968 C VAL A 95 4.599 -3.337 0.111 1.00 0.00 C ATOM 969 O VAL A 95 4.833 -3.418 1.320 1.00 0.00 O ATOM 970 CB VAL A 95 2.352 -4.005 -1.004 1.00 0.00 C ATOM 971 CG1 VAL A 95 1.660 -4.869 -2.081 1.00 0.00 C ATOM 972 CG2 VAL A 95 1.439 -3.848 0.232 1.00 0.00 C ATOM 0 H VAL A 95 2.963 -6.101 0.318 1.00 0.00 H new ATOM 0 HA VAL A 95 4.380 -4.538 -1.611 1.00 0.00 H new ATOM 0 HB VAL A 95 2.489 -3.008 -1.423 1.00 0.00 H new ATOM 0 HG11 VAL A 95 0.648 -4.501 -2.247 1.00 0.00 H new ATOM 0 HG12 VAL A 95 2.224 -4.811 -3.012 1.00 0.00 H new ATOM 0 HG13 VAL A 95 1.619 -5.905 -1.745 1.00 0.00 H new ATOM 0 HG21 VAL A 95 0.443 -3.543 -0.088 1.00 0.00 H new ATOM 0 HG22 VAL A 95 1.375 -4.799 0.761 1.00 0.00 H new ATOM 0 HG23 VAL A 95 1.854 -3.091 0.897 1.00 0.00 H new ATOM 982 N ILE A 96 4.948 -2.285 -0.644 1.00 0.00 N ATOM 983 CA ILE A 96 5.658 -1.067 -0.157 1.00 0.00 C ATOM 984 C ILE A 96 4.807 -0.180 0.818 1.00 0.00 C ATOM 985 O ILE A 96 3.591 -0.357 0.958 1.00 0.00 O ATOM 986 CB ILE A 96 6.184 -0.264 -1.411 1.00 0.00 C ATOM 987 CG1 ILE A 96 5.071 0.133 -2.435 1.00 0.00 C ATOM 988 CG2 ILE A 96 7.359 -0.998 -2.107 1.00 0.00 C ATOM 989 CD1 ILE A 96 5.400 1.292 -3.380 1.00 0.00 C ATOM 0 H ILE A 96 4.743 -2.246 -1.642 1.00 0.00 H new ATOM 0 HA ILE A 96 6.501 -1.383 0.457 1.00 0.00 H new ATOM 0 HB ILE A 96 6.556 0.679 -1.010 1.00 0.00 H new ATOM 0 HG12 ILE A 96 4.833 -0.743 -3.038 1.00 0.00 H new ATOM 0 HG13 ILE A 96 4.170 0.391 -1.878 1.00 0.00 H new ATOM 0 HG21 ILE A 96 7.694 -0.416 -2.965 1.00 0.00 H new ATOM 0 HG22 ILE A 96 8.183 -1.115 -1.403 1.00 0.00 H new ATOM 0 HG23 ILE A 96 7.027 -1.980 -2.443 1.00 0.00 H new ATOM 0 HD11 ILE A 96 4.553 1.474 -4.042 1.00 0.00 H new ATOM 0 HD12 ILE A 96 5.604 2.190 -2.797 1.00 0.00 H new ATOM 0 HD13 ILE A 96 6.277 1.038 -3.975 1.00 0.00 H new ATOM 1001 N GLN A 97 5.471 0.800 1.467 1.00 0.00 N ATOM 1002 CA GLN A 97 4.799 1.803 2.353 1.00 0.00 C ATOM 1003 C GLN A 97 3.728 2.730 1.698 1.00 0.00 C ATOM 1004 O GLN A 97 2.813 3.151 2.410 1.00 0.00 O ATOM 1005 CB GLN A 97 5.848 2.674 3.106 1.00 0.00 C ATOM 1006 CG GLN A 97 6.722 1.955 4.161 1.00 0.00 C ATOM 1007 CD GLN A 97 5.937 1.411 5.368 1.00 0.00 C ATOM 1008 OE1 GLN A 97 5.432 2.168 6.198 1.00 0.00 O ATOM 1009 NE2 GLN A 97 5.807 0.097 5.486 1.00 0.00 N ATOM 0 H GLN A 97 6.481 0.927 1.399 1.00 0.00 H new ATOM 0 HA GLN A 97 4.232 1.174 3.040 1.00 0.00 H new ATOM 0 HB2 GLN A 97 6.510 3.124 2.366 1.00 0.00 H new ATOM 0 HB3 GLN A 97 5.321 3.490 3.600 1.00 0.00 H new ATOM 0 HG2 GLN A 97 7.245 1.129 3.680 1.00 0.00 H new ATOM 0 HG3 GLN A 97 7.483 2.649 4.520 1.00 0.00 H new ATOM 0 HE21 GLN A 97 6.229 -0.521 4.793 1.00 0.00 H new ATOM 0 HE22 GLN A 97 5.285 -0.296 6.269 1.00 0.00 H new ATOM 1018 N ALA A 98 3.793 3.020 0.379 1.00 0.00 N ATOM 1019 CA ALA A 98 2.679 3.678 -0.361 1.00 0.00 C ATOM 1020 C ALA A 98 1.314 2.924 -0.312 1.00 0.00 C ATOM 1021 O ALA A 98 0.306 3.539 0.038 1.00 0.00 O ATOM 1022 CB ALA A 98 3.115 3.929 -1.816 1.00 0.00 C ATOM 0 H ALA A 98 4.605 2.810 -0.201 1.00 0.00 H new ATOM 0 HA ALA A 98 2.487 4.619 0.154 1.00 0.00 H new ATOM 0 HB1 ALA A 98 2.303 4.410 -2.361 1.00 0.00 H new ATOM 0 HB2 ALA A 98 3.992 4.576 -1.827 1.00 0.00 H new ATOM 0 HB3 ALA A 98 3.359 2.979 -2.292 1.00 0.00 H new ATOM 1028 N LEU A 99 1.301 1.607 -0.610 1.00 0.00 N ATOM 1029 CA LEU A 99 0.095 0.738 -0.498 1.00 0.00 C ATOM 1030 C LEU A 99 -0.353 0.470 0.976 1.00 0.00 C ATOM 1031 O LEU A 99 -1.533 0.652 1.278 1.00 0.00 O ATOM 1032 CB LEU A 99 0.321 -0.604 -1.264 1.00 0.00 C ATOM 1033 CG LEU A 99 0.220 -0.647 -2.816 1.00 0.00 C ATOM 1034 CD1 LEU A 99 -1.214 -0.422 -3.333 1.00 0.00 C ATOM 1035 CD2 LEU A 99 1.213 0.274 -3.549 1.00 0.00 C ATOM 0 H LEU A 99 2.128 1.108 -0.937 1.00 0.00 H new ATOM 0 HA LEU A 99 -0.724 1.288 -0.961 1.00 0.00 H new ATOM 0 HB2 LEU A 99 1.313 -0.966 -0.995 1.00 0.00 H new ATOM 0 HB3 LEU A 99 -0.398 -1.324 -0.873 1.00 0.00 H new ATOM 0 HG LEU A 99 0.512 -1.668 -3.062 1.00 0.00 H new ATOM 0 HD11 LEU A 99 -1.219 -0.463 -4.422 1.00 0.00 H new ATOM 0 HD12 LEU A 99 -1.869 -1.198 -2.937 1.00 0.00 H new ATOM 0 HD13 LEU A 99 -1.570 0.555 -3.006 1.00 0.00 H new ATOM 0 HD21 LEU A 99 1.071 0.179 -4.625 1.00 0.00 H new ATOM 0 HD22 LEU A 99 1.039 1.308 -3.250 1.00 0.00 H new ATOM 0 HD23 LEU A 99 2.233 -0.012 -3.291 1.00 0.00 H new ATOM 1047 N ASP A 100 0.555 0.056 1.887 1.00 0.00 N ATOM 1048 CA ASP A 100 0.229 -0.192 3.327 1.00 0.00 C ATOM 1049 C ASP A 100 -0.393 1.016 4.116 1.00 0.00 C ATOM 1050 O ASP A 100 -1.391 0.838 4.823 1.00 0.00 O ATOM 1051 CB ASP A 100 1.533 -0.759 3.963 1.00 0.00 C ATOM 1052 CG ASP A 100 1.440 -1.406 5.349 1.00 0.00 C ATOM 1053 OD1 ASP A 100 0.333 -1.632 5.884 1.00 0.00 O ATOM 1054 OD2 ASP A 100 2.497 -1.749 5.915 1.00 0.00 O ATOM 0 H ASP A 100 1.533 -0.118 1.656 1.00 0.00 H new ATOM 0 HA ASP A 100 -0.594 -0.904 3.391 1.00 0.00 H new ATOM 0 HB2 ASP A 100 1.944 -1.500 3.277 1.00 0.00 H new ATOM 0 HB3 ASP A 100 2.255 0.055 4.023 1.00 0.00 H new ATOM 1059 N LEU A 101 0.160 2.235 3.955 1.00 0.00 N ATOM 1060 CA LEU A 101 -0.402 3.482 4.547 1.00 0.00 C ATOM 1061 C LEU A 101 -1.728 3.973 3.879 1.00 0.00 C ATOM 1062 O LEU A 101 -2.691 4.240 4.604 1.00 0.00 O ATOM 1063 CB LEU A 101 0.673 4.608 4.559 1.00 0.00 C ATOM 1064 CG LEU A 101 1.934 4.388 5.446 1.00 0.00 C ATOM 1065 CD1 LEU A 101 3.015 5.433 5.118 1.00 0.00 C ATOM 1066 CD2 LEU A 101 1.619 4.418 6.956 1.00 0.00 C ATOM 0 H LEU A 101 1.009 2.391 3.412 1.00 0.00 H new ATOM 0 HA LEU A 101 -0.678 3.230 5.571 1.00 0.00 H new ATOM 0 HB2 LEU A 101 1.006 4.766 3.533 1.00 0.00 H new ATOM 0 HB3 LEU A 101 0.191 5.530 4.883 1.00 0.00 H new ATOM 0 HG LEU A 101 2.304 3.390 5.213 1.00 0.00 H new ATOM 0 HD11 LEU A 101 3.888 5.263 5.748 1.00 0.00 H new ATOM 0 HD12 LEU A 101 3.301 5.344 4.070 1.00 0.00 H new ATOM 0 HD13 LEU A 101 2.623 6.433 5.304 1.00 0.00 H new ATOM 0 HD21 LEU A 101 2.537 4.259 7.522 1.00 0.00 H new ATOM 0 HD22 LEU A 101 1.193 5.386 7.220 1.00 0.00 H new ATOM 0 HD23 LEU A 101 0.904 3.630 7.194 1.00 0.00 H new ATOM 1078 N SER A 102 -1.786 4.102 2.533 1.00 0.00 N ATOM 1079 CA SER A 102 -2.972 4.662 1.821 1.00 0.00 C ATOM 1080 C SER A 102 -4.248 3.770 1.769 1.00 0.00 C ATOM 1081 O SER A 102 -5.345 4.288 1.978 1.00 0.00 O ATOM 1082 CB SER A 102 -2.578 5.150 0.405 1.00 0.00 C ATOM 1083 OG SER A 102 -2.373 4.080 -0.516 1.00 0.00 O ATOM 0 H SER A 102 -1.026 3.827 1.911 1.00 0.00 H new ATOM 0 HA SER A 102 -3.277 5.502 2.445 1.00 0.00 H new ATOM 0 HB2 SER A 102 -3.359 5.807 0.022 1.00 0.00 H new ATOM 0 HB3 SER A 102 -1.667 5.744 0.472 1.00 0.00 H new ATOM 0 HG SER A 102 -1.448 3.763 -0.449 1.00 0.00 H new ATOM 1089 N VAL A 103 -4.108 2.466 1.464 1.00 0.00 N ATOM 1090 CA VAL A 103 -5.242 1.545 1.155 1.00 0.00 C ATOM 1091 C VAL A 103 -6.262 1.306 2.334 1.00 0.00 C ATOM 1092 O VAL A 103 -7.451 1.293 1.999 1.00 0.00 O ATOM 1093 CB VAL A 103 -4.716 0.238 0.464 1.00 0.00 C ATOM 1094 CG1 VAL A 103 -5.838 -0.743 0.047 1.00 0.00 C ATOM 1095 CG2 VAL A 103 -3.870 0.499 -0.812 1.00 0.00 C ATOM 0 H VAL A 103 -3.198 2.008 1.422 1.00 0.00 H new ATOM 0 HA VAL A 103 -5.872 2.062 0.432 1.00 0.00 H new ATOM 0 HB VAL A 103 -4.097 -0.203 1.245 1.00 0.00 H new ATOM 0 HG11 VAL A 103 -5.397 -1.622 -0.423 1.00 0.00 H new ATOM 0 HG12 VAL A 103 -6.401 -1.048 0.929 1.00 0.00 H new ATOM 0 HG13 VAL A 103 -6.507 -0.251 -0.659 1.00 0.00 H new ATOM 0 HG21 VAL A 103 -3.543 -0.452 -1.232 1.00 0.00 H new ATOM 0 HG22 VAL A 103 -4.474 1.032 -1.546 1.00 0.00 H new ATOM 0 HG23 VAL A 103 -2.999 1.101 -0.554 1.00 0.00 H new ATOM 1105 N PRO A 104 -5.951 1.154 3.662 1.00 0.00 N ATOM 1106 CA PRO A 104 -6.987 1.190 4.739 1.00 0.00 C ATOM 1107 C PRO A 104 -7.806 2.521 4.881 1.00 0.00 C ATOM 1108 O PRO A 104 -8.997 2.458 5.193 1.00 0.00 O ATOM 1109 CB PRO A 104 -6.196 0.803 6.004 1.00 0.00 C ATOM 1110 CG PRO A 104 -4.743 1.175 5.701 1.00 0.00 C ATOM 1111 CD PRO A 104 -4.586 0.978 4.196 1.00 0.00 C ATOM 0 HA PRO A 104 -7.804 0.506 4.511 1.00 0.00 H new ATOM 0 HB2 PRO A 104 -6.565 1.339 6.878 1.00 0.00 H new ATOM 0 HB3 PRO A 104 -6.293 -0.261 6.218 1.00 0.00 H new ATOM 0 HG2 PRO A 104 -4.532 2.205 5.988 1.00 0.00 H new ATOM 0 HG3 PRO A 104 -4.050 0.542 6.256 1.00 0.00 H new ATOM 0 HD2 PRO A 104 -3.895 1.705 3.769 1.00 0.00 H new ATOM 0 HD3 PRO A 104 -4.192 -0.011 3.963 1.00 0.00 H new ATOM 1119 N LEU A 105 -7.198 3.694 4.602 1.00 0.00 N ATOM 1120 CA LEU A 105 -7.932 4.978 4.396 1.00 0.00 C ATOM 1121 C LEU A 105 -8.787 5.077 3.085 1.00 0.00 C ATOM 1122 O LEU A 105 -9.762 5.833 3.075 1.00 0.00 O ATOM 1123 CB LEU A 105 -6.936 6.176 4.452 1.00 0.00 C ATOM 1124 CG LEU A 105 -6.105 6.361 5.755 1.00 0.00 C ATOM 1125 CD1 LEU A 105 -4.983 7.396 5.547 1.00 0.00 C ATOM 1126 CD2 LEU A 105 -6.979 6.757 6.962 1.00 0.00 C ATOM 0 H LEU A 105 -6.186 3.786 4.512 1.00 0.00 H new ATOM 0 HA LEU A 105 -8.654 5.013 5.212 1.00 0.00 H new ATOM 0 HB2 LEU A 105 -6.239 6.073 3.621 1.00 0.00 H new ATOM 0 HB3 LEU A 105 -7.502 7.092 4.281 1.00 0.00 H new ATOM 0 HG LEU A 105 -5.660 5.392 5.982 1.00 0.00 H new ATOM 0 HD11 LEU A 105 -4.416 7.508 6.471 1.00 0.00 H new ATOM 0 HD12 LEU A 105 -4.318 7.057 4.752 1.00 0.00 H new ATOM 0 HD13 LEU A 105 -5.420 8.356 5.270 1.00 0.00 H new ATOM 0 HD21 LEU A 105 -6.350 6.873 7.844 1.00 0.00 H new ATOM 0 HD22 LEU A 105 -7.486 7.699 6.751 1.00 0.00 H new ATOM 0 HD23 LEU A 105 -7.720 5.979 7.145 1.00 0.00 H new ATOM 1138 N MET A 106 -8.448 4.344 1.999 1.00 0.00 N ATOM 1139 CA MET A 106 -9.230 4.334 0.734 1.00 0.00 C ATOM 1140 C MET A 106 -10.580 3.584 0.908 1.00 0.00 C ATOM 1141 O MET A 106 -10.620 2.443 1.385 1.00 0.00 O ATOM 1142 CB MET A 106 -8.426 3.665 -0.417 1.00 0.00 C ATOM 1143 CG MET A 106 -7.212 4.450 -0.945 1.00 0.00 C ATOM 1144 SD MET A 106 -7.757 5.932 -1.810 1.00 0.00 S ATOM 1145 CE MET A 106 -7.922 5.330 -3.497 1.00 0.00 C ATOM 0 H MET A 106 -7.625 3.742 1.972 1.00 0.00 H new ATOM 0 HA MET A 106 -9.430 5.375 0.479 1.00 0.00 H new ATOM 0 HB2 MET A 106 -8.080 2.691 -0.072 1.00 0.00 H new ATOM 0 HB3 MET A 106 -9.106 3.485 -1.250 1.00 0.00 H new ATOM 0 HG2 MET A 106 -6.558 4.723 -0.117 1.00 0.00 H new ATOM 0 HG3 MET A 106 -6.628 3.822 -1.618 1.00 0.00 H new ATOM 0 HE1 MET A 106 -8.703 5.892 -4.009 1.00 0.00 H new ATOM 0 HE2 MET A 106 -6.977 5.460 -4.024 1.00 0.00 H new ATOM 0 HE3 MET A 106 -8.187 4.273 -3.482 1.00 0.00 H new ATOM 1155 N ASP A 107 -11.674 4.236 0.479 1.00 0.00 N ATOM 1156 CA ASP A 107 -13.027 3.614 0.431 1.00 0.00 C ATOM 1157 C ASP A 107 -13.205 2.588 -0.740 1.00 0.00 C ATOM 1158 O ASP A 107 -12.485 2.590 -1.748 1.00 0.00 O ATOM 1159 CB ASP A 107 -14.086 4.756 0.395 1.00 0.00 C ATOM 1160 CG ASP A 107 -14.358 5.414 1.745 1.00 0.00 C ATOM 1161 OD1 ASP A 107 -14.631 4.696 2.731 1.00 0.00 O ATOM 1162 OD2 ASP A 107 -14.249 6.649 1.865 1.00 0.00 O ATOM 0 H ASP A 107 -11.656 5.203 0.156 1.00 0.00 H new ATOM 0 HA ASP A 107 -13.167 3.011 1.328 1.00 0.00 H new ATOM 0 HB2 ASP A 107 -13.752 5.521 -0.306 1.00 0.00 H new ATOM 0 HB3 ASP A 107 -15.022 4.354 0.007 1.00 0.00 H new ATOM 1167 N VAL A 108 -14.197 1.690 -0.575 1.00 0.00 N ATOM 1168 CA VAL A 108 -14.506 0.613 -1.563 1.00 0.00 C ATOM 1169 C VAL A 108 -15.203 1.224 -2.819 1.00 0.00 C ATOM 1170 O VAL A 108 -16.341 1.696 -2.754 1.00 0.00 O ATOM 1171 CB VAL A 108 -15.289 -0.587 -0.924 1.00 0.00 C ATOM 1172 CG1 VAL A 108 -14.383 -1.418 0.011 1.00 0.00 C ATOM 1173 CG2 VAL A 108 -16.604 -0.235 -0.185 1.00 0.00 C ATOM 0 H VAL A 108 -14.810 1.683 0.240 1.00 0.00 H new ATOM 0 HA VAL A 108 -13.568 0.172 -1.898 1.00 0.00 H new ATOM 0 HB VAL A 108 -15.593 -1.171 -1.792 1.00 0.00 H new ATOM 0 HG11 VAL A 108 -14.957 -2.241 0.437 1.00 0.00 H new ATOM 0 HG12 VAL A 108 -13.543 -1.817 -0.557 1.00 0.00 H new ATOM 0 HG13 VAL A 108 -14.009 -0.783 0.814 1.00 0.00 H new ATOM 0 HG21 VAL A 108 -17.053 -1.145 0.213 1.00 0.00 H new ATOM 0 HG22 VAL A 108 -16.389 0.451 0.634 1.00 0.00 H new ATOM 0 HG23 VAL A 108 -17.297 0.237 -0.881 1.00 0.00 H new ATOM 1183 N GLY A 109 -14.455 1.263 -3.932 1.00 0.00 N ATOM 1184 CA GLY A 109 -14.793 2.101 -5.109 1.00 0.00 C ATOM 1185 C GLY A 109 -14.158 3.517 -5.187 1.00 0.00 C ATOM 1186 O GLY A 109 -14.711 4.361 -5.897 1.00 0.00 O ATOM 0 H GLY A 109 -13.600 0.719 -4.049 1.00 0.00 H new ATOM 0 HA2 GLY A 109 -14.505 1.553 -6.006 1.00 0.00 H new ATOM 0 HA3 GLY A 109 -15.876 2.216 -5.140 1.00 0.00 H new ATOM 1190 N GLU A 110 -13.011 3.777 -4.520 1.00 0.00 N ATOM 1191 CA GLU A 110 -12.300 5.080 -4.583 1.00 0.00 C ATOM 1192 C GLU A 110 -11.122 5.032 -5.611 1.00 0.00 C ATOM 1193 O GLU A 110 -10.251 4.154 -5.565 1.00 0.00 O ATOM 1194 CB GLU A 110 -11.803 5.433 -3.154 1.00 0.00 C ATOM 1195 CG GLU A 110 -11.423 6.926 -2.980 1.00 0.00 C ATOM 1196 CD GLU A 110 -10.762 7.328 -1.673 1.00 0.00 C ATOM 1197 OE1 GLU A 110 -11.147 6.854 -0.588 1.00 0.00 O ATOM 1198 OE2 GLU A 110 -9.838 8.163 -1.729 1.00 0.00 O ATOM 0 H GLU A 110 -12.550 3.091 -3.922 1.00 0.00 H new ATOM 0 HA GLU A 110 -12.979 5.858 -4.932 1.00 0.00 H new ATOM 0 HB2 GLU A 110 -12.581 5.179 -2.435 1.00 0.00 H new ATOM 0 HB3 GLU A 110 -10.936 4.816 -2.917 1.00 0.00 H new ATOM 0 HG2 GLU A 110 -10.754 7.201 -3.795 1.00 0.00 H new ATOM 0 HG3 GLU A 110 -12.329 7.521 -3.097 1.00 0.00 H new ATOM 1205 N THR A 111 -11.100 6.036 -6.503 1.00 0.00 N ATOM 1206 CA THR A 111 -9.966 6.292 -7.434 1.00 0.00 C ATOM 1207 C THR A 111 -9.237 7.566 -6.914 1.00 0.00 C ATOM 1208 O THR A 111 -9.858 8.624 -6.776 1.00 0.00 O ATOM 1209 CB THR A 111 -10.493 6.451 -8.893 1.00 0.00 C ATOM 1210 OG1 THR A 111 -11.226 5.294 -9.282 1.00 0.00 O ATOM 1211 CG2 THR A 111 -9.385 6.653 -9.944 1.00 0.00 C ATOM 0 H THR A 111 -11.867 6.701 -6.606 1.00 0.00 H new ATOM 0 HA THR A 111 -9.263 5.459 -7.460 1.00 0.00 H new ATOM 0 HB THR A 111 -11.113 7.347 -8.870 1.00 0.00 H new ATOM 0 HG1 THR A 111 -11.553 5.407 -10.199 1.00 0.00 H new ATOM 0 HG21 THR A 111 -9.835 6.755 -10.932 1.00 0.00 H new ATOM 0 HG22 THR A 111 -8.819 7.554 -9.708 1.00 0.00 H new ATOM 0 HG23 THR A 111 -8.716 5.793 -9.937 1.00 0.00 H new ATOM 1219 N ALA A 112 -7.923 7.452 -6.631 1.00 0.00 N ATOM 1220 CA ALA A 112 -7.101 8.589 -6.134 1.00 0.00 C ATOM 1221 C ALA A 112 -5.599 8.361 -6.451 1.00 0.00 C ATOM 1222 O ALA A 112 -5.062 7.286 -6.164 1.00 0.00 O ATOM 1223 CB ALA A 112 -7.291 8.790 -4.614 1.00 0.00 C ATOM 0 H ALA A 112 -7.401 6.582 -6.737 1.00 0.00 H new ATOM 0 HA ALA A 112 -7.438 9.489 -6.648 1.00 0.00 H new ATOM 0 HB1 ALA A 112 -6.679 9.627 -4.278 1.00 0.00 H new ATOM 0 HB2 ALA A 112 -8.340 9.000 -4.403 1.00 0.00 H new ATOM 0 HB3 ALA A 112 -6.989 7.885 -4.087 1.00 0.00 H new ATOM 1229 N MET A 113 -4.914 9.381 -7.022 1.00 0.00 N ATOM 1230 CA MET A 113 -3.480 9.286 -7.420 1.00 0.00 C ATOM 1231 C MET A 113 -2.589 9.452 -6.169 1.00 0.00 C ATOM 1232 O MET A 113 -2.447 10.561 -5.652 1.00 0.00 O ATOM 1233 CB MET A 113 -3.103 10.297 -8.541 1.00 0.00 C ATOM 1234 CG MET A 113 -1.892 9.921 -9.419 1.00 0.00 C ATOM 1235 SD MET A 113 -2.489 9.556 -11.089 1.00 0.00 S ATOM 1236 CE MET A 113 -1.019 8.868 -11.866 1.00 0.00 C ATOM 0 H MET A 113 -5.333 10.290 -7.221 1.00 0.00 H new ATOM 0 HA MET A 113 -3.309 8.299 -7.848 1.00 0.00 H new ATOM 0 HB2 MET A 113 -3.969 10.428 -9.190 1.00 0.00 H new ATOM 0 HB3 MET A 113 -2.903 11.263 -8.078 1.00 0.00 H new ATOM 0 HG2 MET A 113 -1.173 10.740 -9.444 1.00 0.00 H new ATOM 0 HG3 MET A 113 -1.376 9.056 -9.003 1.00 0.00 H new ATOM 0 HE1 MET A 113 -1.278 8.470 -12.847 1.00 0.00 H new ATOM 0 HE2 MET A 113 -0.267 9.649 -11.978 1.00 0.00 H new ATOM 0 HE3 MET A 113 -0.620 8.067 -11.244 1.00 0.00 H new ATOM 1246 N VAL A 114 -2.021 8.336 -5.681 1.00 0.00 N ATOM 1247 CA VAL A 114 -1.209 8.327 -4.437 1.00 0.00 C ATOM 1248 C VAL A 114 0.265 8.508 -4.903 1.00 0.00 C ATOM 1249 O VAL A 114 0.917 7.536 -5.294 1.00 0.00 O ATOM 1250 CB VAL A 114 -1.466 7.025 -3.596 1.00 0.00 C ATOM 1251 CG1 VAL A 114 -0.615 6.987 -2.307 1.00 0.00 C ATOM 1252 CG2 VAL A 114 -2.947 6.812 -3.190 1.00 0.00 C ATOM 0 H VAL A 114 -2.106 7.422 -6.126 1.00 0.00 H new ATOM 0 HA VAL A 114 -1.479 9.131 -3.752 1.00 0.00 H new ATOM 0 HB VAL A 114 -1.176 6.221 -4.272 1.00 0.00 H new ATOM 0 HG11 VAL A 114 -0.826 6.069 -1.758 1.00 0.00 H new ATOM 0 HG12 VAL A 114 0.443 7.018 -2.568 1.00 0.00 H new ATOM 0 HG13 VAL A 114 -0.860 7.847 -1.684 1.00 0.00 H new ATOM 0 HG21 VAL A 114 -3.037 5.892 -2.613 1.00 0.00 H new ATOM 0 HG22 VAL A 114 -3.283 7.654 -2.585 1.00 0.00 H new ATOM 0 HG23 VAL A 114 -3.563 6.740 -4.086 1.00 0.00 H new ATOM 1262 N THR A 115 0.765 9.760 -4.875 1.00 0.00 N ATOM 1263 CA THR A 115 2.121 10.100 -5.391 1.00 0.00 C ATOM 1264 C THR A 115 3.141 9.958 -4.227 1.00 0.00 C ATOM 1265 O THR A 115 3.225 10.809 -3.334 1.00 0.00 O ATOM 1266 CB THR A 115 2.178 11.494 -6.085 1.00 0.00 C ATOM 1267 OG1 THR A 115 1.819 12.538 -5.189 1.00 0.00 O ATOM 1268 CG2 THR A 115 1.294 11.616 -7.337 1.00 0.00 C ATOM 0 H THR A 115 0.254 10.559 -4.501 1.00 0.00 H new ATOM 0 HA THR A 115 2.386 9.399 -6.183 1.00 0.00 H new ATOM 0 HB THR A 115 3.217 11.591 -6.399 1.00 0.00 H new ATOM 0 HG1 THR A 115 0.899 12.824 -5.371 1.00 0.00 H new ATOM 0 HG21 THR A 115 1.394 12.617 -7.757 1.00 0.00 H new ATOM 0 HG22 THR A 115 1.607 10.880 -8.077 1.00 0.00 H new ATOM 0 HG23 THR A 115 0.253 11.438 -7.066 1.00 0.00 H new ATOM 1276 N ALA A 116 3.880 8.838 -4.251 1.00 0.00 N ATOM 1277 CA ALA A 116 4.817 8.458 -3.172 1.00 0.00 C ATOM 1278 C ALA A 116 6.251 8.932 -3.493 1.00 0.00 C ATOM 1279 O ALA A 116 6.824 8.575 -4.526 1.00 0.00 O ATOM 1280 CB ALA A 116 4.771 6.931 -3.015 1.00 0.00 C ATOM 0 H ALA A 116 3.848 8.167 -5.018 1.00 0.00 H new ATOM 0 HA ALA A 116 4.521 8.938 -2.239 1.00 0.00 H new ATOM 0 HB1 ALA A 116 5.455 6.626 -2.223 1.00 0.00 H new ATOM 0 HB2 ALA A 116 3.758 6.622 -2.758 1.00 0.00 H new ATOM 0 HB3 ALA A 116 5.067 6.460 -3.952 1.00 0.00 H new ATOM 1286 N ASP A 117 6.823 9.707 -2.560 1.00 0.00 N ATOM 1287 CA ASP A 117 8.221 10.218 -2.646 1.00 0.00 C ATOM 1288 C ASP A 117 9.330 9.108 -2.631 1.00 0.00 C ATOM 1289 O ASP A 117 9.074 7.945 -2.285 1.00 0.00 O ATOM 1290 CB ASP A 117 8.354 11.254 -1.483 1.00 0.00 C ATOM 1291 CG ASP A 117 7.810 12.663 -1.762 1.00 0.00 C ATOM 1292 OD1 ASP A 117 7.355 12.969 -2.886 1.00 0.00 O ATOM 1293 OD2 ASP A 117 7.799 13.493 -0.832 1.00 0.00 O ATOM 0 H ASP A 117 6.335 10.005 -1.715 1.00 0.00 H new ATOM 0 HA ASP A 117 8.396 10.682 -3.617 1.00 0.00 H new ATOM 0 HB2 ASP A 117 7.839 10.855 -0.609 1.00 0.00 H new ATOM 0 HB3 ASP A 117 9.408 11.340 -1.220 1.00 0.00 H new ATOM 1298 N SER A 118 10.573 9.476 -3.020 1.00 0.00 N ATOM 1299 CA SER A 118 11.720 8.518 -3.121 1.00 0.00 C ATOM 1300 C SER A 118 12.300 8.109 -1.726 1.00 0.00 C ATOM 1301 O SER A 118 13.357 8.568 -1.287 1.00 0.00 O ATOM 1302 CB SER A 118 12.777 9.089 -4.099 1.00 0.00 C ATOM 1303 OG SER A 118 13.416 10.258 -3.594 1.00 0.00 O ATOM 0 H SER A 118 10.817 10.434 -3.272 1.00 0.00 H new ATOM 0 HA SER A 118 11.358 7.576 -3.534 1.00 0.00 H new ATOM 0 HB2 SER A 118 13.529 8.327 -4.301 1.00 0.00 H new ATOM 0 HB3 SER A 118 12.298 9.323 -5.050 1.00 0.00 H new ATOM 0 HG SER A 118 13.758 10.081 -2.693 1.00 0.00 H new ATOM 1309 N LYS A 119 11.525 7.254 -1.037 1.00 0.00 N ATOM 1310 CA LYS A 119 11.569 7.041 0.443 1.00 0.00 C ATOM 1311 C LYS A 119 10.438 6.016 0.795 1.00 0.00 C ATOM 1312 O LYS A 119 10.718 4.893 1.223 1.00 0.00 O ATOM 1313 CB LYS A 119 11.431 8.375 1.263 1.00 0.00 C ATOM 1314 CG LYS A 119 12.731 8.925 1.896 1.00 0.00 C ATOM 1315 CD LYS A 119 12.673 10.434 2.246 1.00 0.00 C ATOM 1316 CE LYS A 119 11.533 10.921 3.169 1.00 0.00 C ATOM 1317 NZ LYS A 119 11.660 10.351 4.539 1.00 0.00 N ATOM 0 H LYS A 119 10.826 6.669 -1.496 1.00 0.00 H new ATOM 0 HA LYS A 119 12.546 6.649 0.726 1.00 0.00 H new ATOM 0 HB2 LYS A 119 11.020 9.141 0.605 1.00 0.00 H new ATOM 0 HB3 LYS A 119 10.704 8.214 2.059 1.00 0.00 H new ATOM 0 HG2 LYS A 119 12.948 8.360 2.803 1.00 0.00 H new ATOM 0 HG3 LYS A 119 13.559 8.754 1.208 1.00 0.00 H new ATOM 0 HD2 LYS A 119 13.620 10.705 2.713 1.00 0.00 H new ATOM 0 HD3 LYS A 119 12.607 10.991 1.312 1.00 0.00 H new ATOM 0 HE2 LYS A 119 11.547 12.010 3.224 1.00 0.00 H new ATOM 0 HE3 LYS A 119 10.571 10.636 2.743 1.00 0.00 H new ATOM 0 HZ1 LYS A 119 10.880 10.698 5.133 1.00 0.00 H new ATOM 0 HZ2 LYS A 119 11.622 9.313 4.488 1.00 0.00 H new ATOM 0 HZ3 LYS A 119 12.567 10.644 4.954 1.00 0.00 H new ATOM 1331 N TYR A 120 9.171 6.434 0.592 1.00 0.00 N ATOM 1332 CA TYR A 120 7.952 5.586 0.728 1.00 0.00 C ATOM 1333 C TYR A 120 7.738 4.589 -0.450 1.00 0.00 C ATOM 1334 O TYR A 120 7.247 3.482 -0.210 1.00 0.00 O ATOM 1335 CB TYR A 120 6.685 6.486 0.886 1.00 0.00 C ATOM 1336 CG TYR A 120 6.713 7.462 2.075 1.00 0.00 C ATOM 1337 CD1 TYR A 120 6.264 7.059 3.337 1.00 0.00 C ATOM 1338 CD2 TYR A 120 7.329 8.711 1.932 1.00 0.00 C ATOM 1339 CE1 TYR A 120 6.458 7.883 4.441 1.00 0.00 C ATOM 1340 CE2 TYR A 120 7.548 9.518 3.040 1.00 0.00 C ATOM 1341 CZ TYR A 120 7.108 9.107 4.297 1.00 0.00 C ATOM 1342 OH TYR A 120 7.352 9.892 5.393 1.00 0.00 O ATOM 0 H TYR A 120 8.954 7.393 0.322 1.00 0.00 H new ATOM 0 HA TYR A 120 8.109 4.981 1.621 1.00 0.00 H new ATOM 0 HB2 TYR A 120 6.552 7.060 -0.031 1.00 0.00 H new ATOM 0 HB3 TYR A 120 5.812 5.841 0.988 1.00 0.00 H new ATOM 0 HD1 TYR A 120 5.766 6.108 3.454 1.00 0.00 H new ATOM 0 HD2 TYR A 120 7.636 9.049 0.953 1.00 0.00 H new ATOM 0 HE1 TYR A 120 6.104 7.573 5.413 1.00 0.00 H new ATOM 0 HE2 TYR A 120 8.059 10.463 2.928 1.00 0.00 H new ATOM 0 HH TYR A 120 8.167 10.415 5.245 1.00 0.00 H new ATOM 1352 N CYS A 121 8.112 4.962 -1.699 1.00 0.00 N ATOM 1353 CA CYS A 121 8.126 4.036 -2.851 1.00 0.00 C ATOM 1354 C CYS A 121 9.233 2.955 -2.696 1.00 0.00 C ATOM 1355 O CYS A 121 8.906 1.830 -2.309 1.00 0.00 O ATOM 1356 CB CYS A 121 8.167 4.842 -4.166 1.00 0.00 C ATOM 1357 SG CYS A 121 7.913 3.696 -5.556 1.00 0.00 S ATOM 0 H CYS A 121 8.410 5.909 -1.932 1.00 0.00 H new ATOM 0 HA CYS A 121 7.201 3.460 -2.885 1.00 0.00 H new ATOM 0 HB2 CYS A 121 7.394 5.611 -4.163 1.00 0.00 H new ATOM 0 HB3 CYS A 121 9.124 5.353 -4.267 1.00 0.00 H new ATOM 0 HG CYS A 121 6.764 3.938 -6.114 1.00 0.00 H new ATOM 1363 N TYR A 122 10.516 3.291 -2.939 1.00 0.00 N ATOM 1364 CA TYR A 122 11.664 2.381 -2.672 1.00 0.00 C ATOM 1365 C TYR A 122 12.749 3.225 -1.943 1.00 0.00 C ATOM 1366 O TYR A 122 12.815 3.158 -0.710 1.00 0.00 O ATOM 1367 CB TYR A 122 12.132 1.617 -3.952 1.00 0.00 C ATOM 1368 CG TYR A 122 11.269 0.398 -4.343 1.00 0.00 C ATOM 1369 CD1 TYR A 122 10.070 0.565 -5.049 1.00 0.00 C ATOM 1370 CD2 TYR A 122 11.676 -0.893 -3.993 1.00 0.00 C ATOM 1371 CE1 TYR A 122 9.300 -0.539 -5.404 1.00 0.00 C ATOM 1372 CE2 TYR A 122 10.901 -1.997 -4.342 1.00 0.00 C ATOM 1373 CZ TYR A 122 9.718 -1.819 -5.057 1.00 0.00 C ATOM 1374 OH TYR A 122 8.968 -2.907 -5.421 1.00 0.00 O ATOM 0 H TYR A 122 10.792 4.194 -3.324 1.00 0.00 H new ATOM 0 HA TYR A 122 11.384 1.557 -2.015 1.00 0.00 H new ATOM 0 HB2 TYR A 122 12.145 2.316 -4.788 1.00 0.00 H new ATOM 0 HB3 TYR A 122 13.158 1.282 -3.801 1.00 0.00 H new ATOM 0 HD1 TYR A 122 9.741 1.557 -5.320 1.00 0.00 H new ATOM 0 HD2 TYR A 122 12.598 -1.035 -3.448 1.00 0.00 H new ATOM 0 HE1 TYR A 122 8.378 -0.401 -5.949 1.00 0.00 H new ATOM 0 HE2 TYR A 122 11.217 -2.990 -4.059 1.00 0.00 H new ATOM 0 HH TYR A 122 9.402 -3.725 -5.101 1.00 0.00 H new ATOM 1384 N GLY A 123 13.563 4.022 -2.664 1.00 0.00 N ATOM 1385 CA GLY A 123 14.535 4.940 -2.032 1.00 0.00 C ATOM 1386 C GLY A 123 15.688 5.296 -3.000 1.00 0.00 C ATOM 1387 O GLY A 123 15.430 6.095 -3.906 1.00 0.00 O ATOM 0 H GLY A 123 13.567 4.049 -3.684 1.00 0.00 H new ATOM 0 HA2 GLY A 123 14.026 5.852 -1.719 1.00 0.00 H new ATOM 0 HA3 GLY A 123 14.943 4.478 -1.133 1.00 0.00 H new ATOM 1391 N PRO A 124 16.938 4.764 -2.871 1.00 0.00 N ATOM 1392 CA PRO A 124 18.074 5.134 -3.760 1.00 0.00 C ATOM 1393 C PRO A 124 18.063 4.516 -5.195 1.00 0.00 C ATOM 1394 O PRO A 124 18.291 5.253 -6.158 1.00 0.00 O ATOM 1395 CB PRO A 124 19.300 4.730 -2.915 1.00 0.00 C ATOM 1396 CG PRO A 124 18.820 3.573 -2.034 1.00 0.00 C ATOM 1397 CD PRO A 124 17.355 3.903 -1.744 1.00 0.00 C ATOM 0 HA PRO A 124 18.045 6.191 -4.024 1.00 0.00 H new ATOM 0 HB2 PRO A 124 20.131 4.423 -3.550 1.00 0.00 H new ATOM 0 HB3 PRO A 124 19.653 5.565 -2.310 1.00 0.00 H new ATOM 0 HG2 PRO A 124 18.919 2.616 -2.546 1.00 0.00 H new ATOM 0 HG3 PRO A 124 19.402 3.505 -1.115 1.00 0.00 H new ATOM 0 HD2 PRO A 124 16.748 2.999 -1.690 1.00 0.00 H new ATOM 0 HD3 PRO A 124 17.246 4.418 -0.790 1.00 0.00 H new ATOM 1405 N GLN A 125 17.831 3.191 -5.335 1.00 0.00 N ATOM 1406 CA GLN A 125 17.845 2.486 -6.638 1.00 0.00 C ATOM 1407 C GLN A 125 16.826 1.311 -6.578 1.00 0.00 C ATOM 1408 O GLN A 125 16.979 0.375 -5.785 1.00 0.00 O ATOM 1409 CB GLN A 125 19.272 2.053 -7.079 1.00 0.00 C ATOM 1410 CG GLN A 125 20.096 1.144 -6.132 1.00 0.00 C ATOM 1411 CD GLN A 125 21.499 0.763 -6.643 1.00 0.00 C ATOM 1412 OE1 GLN A 125 21.922 1.084 -7.755 1.00 0.00 O ATOM 1413 NE2 GLN A 125 22.255 0.050 -5.825 1.00 0.00 N ATOM 0 H GLN A 125 17.628 2.578 -4.545 1.00 0.00 H new ATOM 0 HA GLN A 125 17.532 3.175 -7.422 1.00 0.00 H new ATOM 0 HB2 GLN A 125 19.181 1.539 -8.036 1.00 0.00 H new ATOM 0 HB3 GLN A 125 19.853 2.958 -7.257 1.00 0.00 H new ATOM 0 HG2 GLN A 125 20.201 1.648 -5.171 1.00 0.00 H new ATOM 0 HG3 GLN A 125 19.532 0.229 -5.951 1.00 0.00 H new ATOM 0 HE21 GLN A 125 21.902 -0.214 -4.905 1.00 0.00 H new ATOM 0 HE22 GLN A 125 23.191 -0.235 -6.114 1.00 0.00 H new ATOM 1422 N GLY A 126 15.790 1.372 -7.434 1.00 0.00 N ATOM 1423 CA GLY A 126 14.750 0.324 -7.523 1.00 0.00 C ATOM 1424 C GLY A 126 15.083 -0.743 -8.587 1.00 0.00 C ATOM 1425 O GLY A 126 16.104 -1.428 -8.477 1.00 0.00 O ATOM 0 H GLY A 126 15.648 2.146 -8.083 1.00 0.00 H new ATOM 0 HA2 GLY A 126 14.638 -0.157 -6.551 1.00 0.00 H new ATOM 0 HA3 GLY A 126 13.792 0.785 -7.762 1.00 0.00 H new ATOM 1429 N ARG A 127 14.200 -0.890 -9.589 1.00 0.00 N ATOM 1430 CA ARG A 127 14.395 -1.844 -10.723 1.00 0.00 C ATOM 1431 C ARG A 127 14.202 -1.103 -12.089 1.00 0.00 C ATOM 1432 O ARG A 127 13.196 -1.298 -12.780 1.00 0.00 O ATOM 1433 CB ARG A 127 13.445 -3.079 -10.588 1.00 0.00 C ATOM 1434 CG ARG A 127 13.510 -3.927 -9.292 1.00 0.00 C ATOM 1435 CD ARG A 127 12.486 -3.486 -8.223 1.00 0.00 C ATOM 1436 NE ARG A 127 12.595 -4.313 -6.988 1.00 0.00 N ATOM 1437 CZ ARG A 127 13.367 -4.041 -5.936 1.00 0.00 C ATOM 1438 NH1 ARG A 127 14.186 -3.021 -5.881 1.00 0.00 N ATOM 1439 NH2 ARG A 127 13.303 -4.834 -4.905 1.00 0.00 N ATOM 0 H ARG A 127 13.331 -0.359 -9.647 1.00 0.00 H new ATOM 0 HA ARG A 127 15.416 -2.225 -10.691 1.00 0.00 H new ATOM 0 HB2 ARG A 127 12.421 -2.723 -10.699 1.00 0.00 H new ATOM 0 HB3 ARG A 127 13.644 -3.743 -11.429 1.00 0.00 H new ATOM 0 HG2 ARG A 127 13.337 -4.974 -9.542 1.00 0.00 H new ATOM 0 HG3 ARG A 127 14.514 -3.861 -8.873 1.00 0.00 H new ATOM 0 HD2 ARG A 127 12.647 -2.437 -7.975 1.00 0.00 H new ATOM 0 HD3 ARG A 127 11.477 -3.567 -8.628 1.00 0.00 H new ATOM 0 HE ARG A 127 12.030 -5.161 -6.944 1.00 0.00 H new ATOM 0 HH11 ARG A 127 14.258 -2.382 -6.673 1.00 0.00 H new ATOM 0 HH12 ARG A 127 14.752 -2.866 -5.047 1.00 0.00 H new ATOM 0 HH21 ARG A 127 12.674 -5.637 -4.918 1.00 0.00 H new ATOM 0 HH22 ARG A 127 13.882 -4.652 -4.085 1.00 0.00 H new ATOM 1453 N SER A 128 15.166 -0.242 -12.473 1.00 0.00 N ATOM 1454 CA SER A 128 15.010 0.692 -13.625 1.00 0.00 C ATOM 1455 C SER A 128 15.098 -0.035 -15.013 1.00 0.00 C ATOM 1456 O SER A 128 15.994 -0.874 -15.160 1.00 0.00 O ATOM 1457 CB SER A 128 16.084 1.792 -13.477 1.00 0.00 C ATOM 1458 OG SER A 128 15.883 2.841 -14.417 1.00 0.00 O ATOM 0 H SER A 128 16.069 -0.168 -12.004 1.00 0.00 H new ATOM 0 HA SER A 128 14.013 1.132 -13.606 1.00 0.00 H new ATOM 0 HB2 SER A 128 16.056 2.197 -12.465 1.00 0.00 H new ATOM 0 HB3 SER A 128 17.074 1.358 -13.619 1.00 0.00 H new ATOM 0 HG SER A 128 16.576 3.523 -14.299 1.00 0.00 H new ATOM 1464 N PRO A 129 14.226 0.219 -16.039 1.00 0.00 N ATOM 1465 CA PRO A 129 13.224 1.330 -16.060 1.00 0.00 C ATOM 1466 C PRO A 129 11.846 1.132 -15.345 1.00 0.00 C ATOM 1467 O PRO A 129 11.207 2.138 -15.021 1.00 0.00 O ATOM 1468 CB PRO A 129 13.040 1.548 -17.577 1.00 0.00 C ATOM 1469 CG PRO A 129 13.254 0.173 -18.211 1.00 0.00 C ATOM 1470 CD PRO A 129 14.344 -0.462 -17.346 1.00 0.00 C ATOM 0 HA PRO A 129 13.603 2.166 -15.472 1.00 0.00 H new ATOM 0 HB2 PRO A 129 12.046 1.934 -17.801 1.00 0.00 H new ATOM 0 HB3 PRO A 129 13.757 2.274 -17.960 1.00 0.00 H new ATOM 0 HG2 PRO A 129 12.339 -0.419 -18.200 1.00 0.00 H new ATOM 0 HG3 PRO A 129 13.567 0.257 -19.252 1.00 0.00 H new ATOM 0 HD2 PRO A 129 14.196 -1.537 -17.248 1.00 0.00 H new ATOM 0 HD3 PRO A 129 15.332 -0.315 -17.782 1.00 0.00 H new ATOM 1478 N TYR A 130 11.386 -0.116 -15.120 1.00 0.00 N ATOM 1479 CA TYR A 130 10.043 -0.434 -14.543 1.00 0.00 C ATOM 1480 C TYR A 130 9.702 0.201 -13.159 1.00 0.00 C ATOM 1481 O TYR A 130 8.572 0.650 -12.961 1.00 0.00 O ATOM 1482 CB TYR A 130 9.854 -1.980 -14.485 1.00 0.00 C ATOM 1483 CG TYR A 130 9.681 -2.684 -15.845 1.00 0.00 C ATOM 1484 CD1 TYR A 130 10.799 -3.111 -16.573 1.00 0.00 C ATOM 1485 CD2 TYR A 130 8.402 -2.891 -16.372 1.00 0.00 C ATOM 1486 CE1 TYR A 130 10.637 -3.715 -17.817 1.00 0.00 C ATOM 1487 CE2 TYR A 130 8.242 -3.499 -17.614 1.00 0.00 C ATOM 1488 CZ TYR A 130 9.360 -3.906 -18.339 1.00 0.00 C ATOM 1489 OH TYR A 130 9.203 -4.491 -19.568 1.00 0.00 O ATOM 0 H TYR A 130 11.936 -0.948 -15.333 1.00 0.00 H new ATOM 0 HA TYR A 130 9.336 0.038 -15.225 1.00 0.00 H new ATOM 0 HB2 TYR A 130 10.716 -2.414 -13.979 1.00 0.00 H new ATOM 0 HB3 TYR A 130 8.981 -2.198 -13.870 1.00 0.00 H new ATOM 0 HD1 TYR A 130 11.790 -2.971 -16.168 1.00 0.00 H new ATOM 0 HD2 TYR A 130 7.533 -2.577 -15.812 1.00 0.00 H new ATOM 0 HE1 TYR A 130 11.503 -4.036 -18.378 1.00 0.00 H new ATOM 0 HE2 TYR A 130 7.252 -3.655 -18.015 1.00 0.00 H new ATOM 0 HH TYR A 130 8.249 -4.550 -19.783 1.00 0.00 H new ATOM 1499 N ILE A 131 10.662 0.223 -12.220 1.00 0.00 N ATOM 1500 CA ILE A 131 10.588 1.046 -10.987 1.00 0.00 C ATOM 1501 C ILE A 131 11.807 2.029 -11.145 1.00 0.00 C ATOM 1502 O ILE A 131 12.934 1.584 -10.908 1.00 0.00 O ATOM 1503 CB ILE A 131 10.616 0.154 -9.690 1.00 0.00 C ATOM 1504 CG1 ILE A 131 9.342 -0.709 -9.421 1.00 0.00 C ATOM 1505 CG2 ILE A 131 10.865 0.996 -8.413 1.00 0.00 C ATOM 1506 CD1 ILE A 131 9.129 -1.946 -10.306 1.00 0.00 C ATOM 0 H ILE A 131 11.517 -0.329 -12.289 1.00 0.00 H new ATOM 0 HA ILE A 131 9.655 1.596 -10.868 1.00 0.00 H new ATOM 0 HB ILE A 131 11.439 -0.528 -9.901 1.00 0.00 H new ATOM 0 HG12 ILE A 131 9.371 -1.038 -8.382 1.00 0.00 H new ATOM 0 HG13 ILE A 131 8.469 -0.064 -9.527 1.00 0.00 H new ATOM 0 HG21 ILE A 131 10.877 0.341 -7.542 1.00 0.00 H new ATOM 0 HG22 ILE A 131 11.824 1.507 -8.495 1.00 0.00 H new ATOM 0 HG23 ILE A 131 10.070 1.733 -8.302 1.00 0.00 H new ATOM 0 HD11 ILE A 131 8.209 -2.451 -10.011 1.00 0.00 H new ATOM 0 HD12 ILE A 131 9.056 -1.639 -11.349 1.00 0.00 H new ATOM 0 HD13 ILE A 131 9.971 -2.628 -10.187 1.00 0.00 H new ATOM 1518 N PRO A 132 11.672 3.345 -11.495 1.00 0.00 N ATOM 1519 CA PRO A 132 12.828 4.281 -11.600 1.00 0.00 C ATOM 1520 C PRO A 132 13.574 4.562 -10.241 1.00 0.00 C ATOM 1521 O PRO A 132 12.982 4.331 -9.179 1.00 0.00 O ATOM 1522 CB PRO A 132 12.204 5.528 -12.259 1.00 0.00 C ATOM 1523 CG PRO A 132 10.706 5.449 -11.973 1.00 0.00 C ATOM 1524 CD PRO A 132 10.401 3.957 -11.917 1.00 0.00 C ATOM 0 HA PRO A 132 13.647 3.865 -12.186 1.00 0.00 H new ATOM 0 HB2 PRO A 132 12.632 6.442 -11.848 1.00 0.00 H new ATOM 0 HB3 PRO A 132 12.396 5.540 -13.332 1.00 0.00 H new ATOM 0 HG2 PRO A 132 10.456 5.940 -11.032 1.00 0.00 H new ATOM 0 HG3 PRO A 132 10.127 5.942 -12.754 1.00 0.00 H new ATOM 0 HD2 PRO A 132 9.600 3.740 -11.210 1.00 0.00 H new ATOM 0 HD3 PRO A 132 10.080 3.579 -12.888 1.00 0.00 H new ATOM 1532 N PRO A 133 14.871 4.992 -10.216 1.00 0.00 N ATOM 1533 CA PRO A 133 15.757 4.801 -9.035 1.00 0.00 C ATOM 1534 C PRO A 133 15.439 5.662 -7.778 1.00 0.00 C ATOM 1535 O PRO A 133 14.996 5.113 -6.765 1.00 0.00 O ATOM 1536 CB PRO A 133 17.176 4.953 -9.630 1.00 0.00 C ATOM 1537 CG PRO A 133 16.995 5.808 -10.884 1.00 0.00 C ATOM 1538 CD PRO A 133 15.626 5.390 -11.421 1.00 0.00 C ATOM 0 HA PRO A 133 15.609 3.826 -8.572 1.00 0.00 H new ATOM 0 HB2 PRO A 133 17.851 5.432 -8.921 1.00 0.00 H new ATOM 0 HB3 PRO A 133 17.607 3.982 -9.874 1.00 0.00 H new ATOM 0 HG2 PRO A 133 17.024 6.872 -10.649 1.00 0.00 H new ATOM 0 HG3 PRO A 133 17.784 5.621 -11.612 1.00 0.00 H new ATOM 0 HD2 PRO A 133 15.136 6.211 -11.945 1.00 0.00 H new ATOM 0 HD3 PRO A 133 15.711 4.565 -12.129 1.00 0.00 H new ATOM 1546 N HIS A 134 15.658 6.984 -7.861 1.00 0.00 N ATOM 1547 CA HIS A 134 15.263 7.959 -6.815 1.00 0.00 C ATOM 1548 C HIS A 134 14.313 9.002 -7.471 1.00 0.00 C ATOM 1549 O HIS A 134 14.698 10.132 -7.783 1.00 0.00 O ATOM 1550 CB HIS A 134 16.496 8.534 -6.054 1.00 0.00 C ATOM 1551 CG HIS A 134 17.607 9.224 -6.863 1.00 0.00 C ATOM 1552 ND1 HIS A 134 17.755 10.592 -6.996 1.00 0.00 N ATOM 1553 CD2 HIS A 134 18.639 8.565 -7.561 1.00 0.00 C ATOM 1554 CE1 HIS A 134 18.870 10.634 -7.790 1.00 0.00 C ATOM 1555 NE2 HIS A 134 19.482 9.471 -8.190 1.00 0.00 N ATOM 0 H HIS A 134 16.118 7.417 -8.662 1.00 0.00 H new ATOM 0 HA HIS A 134 14.702 7.479 -6.013 1.00 0.00 H new ATOM 0 HB2 HIS A 134 16.127 9.251 -5.321 1.00 0.00 H new ATOM 0 HB3 HIS A 134 16.952 7.715 -5.497 1.00 0.00 H new ATOM 0 HD2 HIS A 134 18.759 7.492 -7.601 1.00 0.00 H new ATOM 0 HE1 HIS A 134 19.270 11.587 -8.103 1.00 0.00 H new ATOM 0 HE2 HIS A 134 20.306 9.319 -8.772 1.00 0.00 H new ATOM 1563 N ALA A 135 13.055 8.572 -7.679 1.00 0.00 N ATOM 1564 CA ALA A 135 11.982 9.391 -8.289 1.00 0.00 C ATOM 1565 C ALA A 135 10.701 9.304 -7.416 1.00 0.00 C ATOM 1566 O ALA A 135 10.454 8.310 -6.719 1.00 0.00 O ATOM 1567 CB ALA A 135 11.712 8.866 -9.716 1.00 0.00 C ATOM 0 H ALA A 135 12.747 7.633 -7.426 1.00 0.00 H new ATOM 0 HA ALA A 135 12.286 10.436 -8.344 1.00 0.00 H new ATOM 0 HB1 ALA A 135 10.924 9.459 -10.179 1.00 0.00 H new ATOM 0 HB2 ALA A 135 12.622 8.945 -10.311 1.00 0.00 H new ATOM 0 HB3 ALA A 135 11.400 7.823 -9.667 1.00 0.00 H new ATOM 1573 N ALA A 136 9.856 10.349 -7.496 1.00 0.00 N ATOM 1574 CA ALA A 136 8.510 10.327 -6.871 1.00 0.00 C ATOM 1575 C ALA A 136 7.497 9.669 -7.848 1.00 0.00 C ATOM 1576 O ALA A 136 6.931 10.339 -8.718 1.00 0.00 O ATOM 1577 CB ALA A 136 8.111 11.753 -6.449 1.00 0.00 C ATOM 0 H ALA A 136 10.075 11.218 -7.984 1.00 0.00 H new ATOM 0 HA ALA A 136 8.515 9.722 -5.964 1.00 0.00 H new ATOM 0 HB1 ALA A 136 7.122 11.734 -5.990 1.00 0.00 H new ATOM 0 HB2 ALA A 136 8.836 12.136 -5.731 1.00 0.00 H new ATOM 0 HB3 ALA A 136 8.092 12.400 -7.326 1.00 0.00 H new ATOM 1583 N LEU A 137 7.298 8.342 -7.696 1.00 0.00 N ATOM 1584 CA LEU A 137 6.421 7.534 -8.589 1.00 0.00 C ATOM 1585 C LEU A 137 4.925 7.914 -8.383 1.00 0.00 C ATOM 1586 O LEU A 137 4.458 8.053 -7.248 1.00 0.00 O ATOM 1587 CB LEU A 137 6.611 6.002 -8.367 1.00 0.00 C ATOM 1588 CG LEU A 137 7.865 5.317 -8.987 1.00 0.00 C ATOM 1589 CD1 LEU A 137 9.191 5.677 -8.289 1.00 0.00 C ATOM 1590 CD2 LEU A 137 7.680 3.785 -9.001 1.00 0.00 C ATOM 0 H LEU A 137 7.737 7.796 -6.954 1.00 0.00 H new ATOM 0 HA LEU A 137 6.714 7.764 -9.613 1.00 0.00 H new ATOM 0 HB2 LEU A 137 6.631 5.822 -7.292 1.00 0.00 H new ATOM 0 HB3 LEU A 137 5.728 5.497 -8.759 1.00 0.00 H new ATOM 0 HG LEU A 137 7.943 5.703 -10.004 1.00 0.00 H new ATOM 0 HD11 LEU A 137 10.014 5.159 -8.782 1.00 0.00 H new ATOM 0 HD12 LEU A 137 9.353 6.753 -8.348 1.00 0.00 H new ATOM 0 HD13 LEU A 137 9.146 5.374 -7.243 1.00 0.00 H new ATOM 0 HD21 LEU A 137 8.562 3.316 -9.436 1.00 0.00 H new ATOM 0 HD22 LEU A 137 7.544 3.426 -7.981 1.00 0.00 H new ATOM 0 HD23 LEU A 137 6.803 3.530 -9.596 1.00 0.00 H new ATOM 1602 N CYS A 138 4.201 8.085 -9.502 1.00 0.00 N ATOM 1603 CA CYS A 138 2.776 8.497 -9.490 1.00 0.00 C ATOM 1604 C CYS A 138 1.883 7.270 -9.799 1.00 0.00 C ATOM 1605 O CYS A 138 1.745 6.864 -10.957 1.00 0.00 O ATOM 1606 CB CYS A 138 2.594 9.652 -10.495 1.00 0.00 C ATOM 1607 SG CYS A 138 3.625 11.078 -10.012 1.00 0.00 S ATOM 0 H CYS A 138 4.579 7.944 -10.439 1.00 0.00 H new ATOM 0 HA CYS A 138 2.472 8.863 -8.509 1.00 0.00 H new ATOM 0 HB2 CYS A 138 2.868 9.319 -11.496 1.00 0.00 H new ATOM 0 HB3 CYS A 138 1.546 9.948 -10.533 1.00 0.00 H new ATOM 0 HG CYS A 138 4.779 10.655 -9.589 1.00 0.00 H new ATOM 1613 N LEU A 139 1.312 6.666 -8.740 1.00 0.00 N ATOM 1614 CA LEU A 139 0.660 5.333 -8.808 1.00 0.00 C ATOM 1615 C LEU A 139 -0.803 5.439 -8.299 1.00 0.00 C ATOM 1616 O LEU A 139 -1.038 5.599 -7.096 1.00 0.00 O ATOM 1617 CB LEU A 139 1.519 4.210 -8.146 1.00 0.00 C ATOM 1618 CG LEU A 139 1.941 4.260 -6.642 1.00 0.00 C ATOM 1619 CD1 LEU A 139 2.504 2.895 -6.196 1.00 0.00 C ATOM 1620 CD2 LEU A 139 3.018 5.314 -6.313 1.00 0.00 C ATOM 0 H LEU A 139 1.287 7.084 -7.810 1.00 0.00 H new ATOM 0 HA LEU A 139 0.599 5.012 -9.848 1.00 0.00 H new ATOM 0 HB2 LEU A 139 0.976 3.276 -8.288 1.00 0.00 H new ATOM 0 HB3 LEU A 139 2.438 4.136 -8.727 1.00 0.00 H new ATOM 0 HG LEU A 139 1.027 4.529 -6.112 1.00 0.00 H new ATOM 0 HD11 LEU A 139 2.793 2.946 -5.146 1.00 0.00 H new ATOM 0 HD12 LEU A 139 1.741 2.127 -6.325 1.00 0.00 H new ATOM 0 HD13 LEU A 139 3.376 2.646 -6.801 1.00 0.00 H new ATOM 0 HD21 LEU A 139 3.249 5.278 -5.248 1.00 0.00 H new ATOM 0 HD22 LEU A 139 3.920 5.104 -6.888 1.00 0.00 H new ATOM 0 HD23 LEU A 139 2.647 6.306 -6.570 1.00 0.00 H new ATOM 1632 N GLU A 140 -1.780 5.368 -9.233 1.00 0.00 N ATOM 1633 CA GLU A 140 -3.222 5.571 -8.917 1.00 0.00 C ATOM 1634 C GLU A 140 -3.904 4.263 -8.420 1.00 0.00 C ATOM 1635 O GLU A 140 -3.992 3.261 -9.138 1.00 0.00 O ATOM 1636 CB GLU A 140 -3.929 6.267 -10.119 1.00 0.00 C ATOM 1637 CG GLU A 140 -5.377 6.785 -9.850 1.00 0.00 C ATOM 1638 CD GLU A 140 -5.811 8.062 -10.577 1.00 0.00 C ATOM 1639 OE1 GLU A 140 -5.996 8.014 -11.808 1.00 0.00 O ATOM 1640 OE2 GLU A 140 -5.996 9.114 -9.920 1.00 0.00 O ATOM 0 H GLU A 140 -1.599 5.171 -10.217 1.00 0.00 H new ATOM 0 HA GLU A 140 -3.319 6.248 -8.068 1.00 0.00 H new ATOM 0 HB2 GLU A 140 -3.316 7.110 -10.438 1.00 0.00 H new ATOM 0 HB3 GLU A 140 -3.964 5.565 -10.952 1.00 0.00 H new ATOM 0 HG2 GLU A 140 -6.075 5.991 -10.117 1.00 0.00 H new ATOM 0 HG3 GLU A 140 -5.481 6.954 -8.778 1.00 0.00 H new ATOM 1647 N VAL A 141 -4.380 4.319 -7.164 1.00 0.00 N ATOM 1648 CA VAL A 141 -4.987 3.166 -6.449 1.00 0.00 C ATOM 1649 C VAL A 141 -6.507 3.186 -6.797 1.00 0.00 C ATOM 1650 O VAL A 141 -7.249 4.060 -6.335 1.00 0.00 O ATOM 1651 CB VAL A 141 -4.680 3.284 -4.912 1.00 0.00 C ATOM 1652 CG1 VAL A 141 -5.384 2.204 -4.062 1.00 0.00 C ATOM 1653 CG2 VAL A 141 -3.170 3.257 -4.558 1.00 0.00 C ATOM 0 H VAL A 141 -4.357 5.172 -6.605 1.00 0.00 H new ATOM 0 HA VAL A 141 -4.574 2.204 -6.754 1.00 0.00 H new ATOM 0 HB VAL A 141 -5.080 4.267 -4.665 1.00 0.00 H new ATOM 0 HG11 VAL A 141 -5.129 2.344 -3.012 1.00 0.00 H new ATOM 0 HG12 VAL A 141 -6.463 2.289 -4.188 1.00 0.00 H new ATOM 0 HG13 VAL A 141 -5.057 1.216 -4.386 1.00 0.00 H new ATOM 0 HG21 VAL A 141 -3.048 3.343 -3.478 1.00 0.00 H new ATOM 0 HG22 VAL A 141 -2.733 2.318 -4.899 1.00 0.00 H new ATOM 0 HG23 VAL A 141 -2.666 4.090 -5.048 1.00 0.00 H new ATOM 1663 N THR A 142 -6.940 2.223 -7.627 1.00 0.00 N ATOM 1664 CA THR A 142 -8.341 2.136 -8.122 1.00 0.00 C ATOM 1665 C THR A 142 -8.921 0.816 -7.550 1.00 0.00 C ATOM 1666 O THR A 142 -8.548 -0.269 -8.006 1.00 0.00 O ATOM 1667 CB THR A 142 -8.343 2.212 -9.681 1.00 0.00 C ATOM 1668 OG1 THR A 142 -7.781 3.449 -10.110 1.00 0.00 O ATOM 1669 CG2 THR A 142 -9.733 2.089 -10.332 1.00 0.00 C ATOM 0 H THR A 142 -6.337 1.480 -7.979 1.00 0.00 H new ATOM 0 HA THR A 142 -8.970 2.963 -7.791 1.00 0.00 H new ATOM 0 HB THR A 142 -7.754 1.352 -10.001 1.00 0.00 H new ATOM 0 HG1 THR A 142 -7.784 3.488 -11.089 1.00 0.00 H new ATOM 0 HG21 THR A 142 -9.634 2.153 -11.416 1.00 0.00 H new ATOM 0 HG22 THR A 142 -10.177 1.130 -10.064 1.00 0.00 H new ATOM 0 HG23 THR A 142 -10.373 2.897 -9.978 1.00 0.00 H new ATOM 1677 N LEU A 143 -9.842 0.914 -6.568 1.00 0.00 N ATOM 1678 CA LEU A 143 -10.462 -0.273 -5.913 1.00 0.00 C ATOM 1679 C LEU A 143 -11.483 -0.952 -6.874 1.00 0.00 C ATOM 1680 O LEU A 143 -12.574 -0.425 -7.117 1.00 0.00 O ATOM 1681 CB LEU A 143 -11.137 0.123 -4.559 1.00 0.00 C ATOM 1682 CG LEU A 143 -10.301 0.095 -3.249 1.00 0.00 C ATOM 1683 CD1 LEU A 143 -9.916 -1.335 -2.811 1.00 0.00 C ATOM 1684 CD2 LEU A 143 -9.081 1.034 -3.268 1.00 0.00 C ATOM 0 H LEU A 143 -10.179 1.806 -6.205 1.00 0.00 H new ATOM 0 HA LEU A 143 -9.675 -0.993 -5.690 1.00 0.00 H new ATOM 0 HB2 LEU A 143 -11.531 1.133 -4.674 1.00 0.00 H new ATOM 0 HB3 LEU A 143 -11.992 -0.538 -4.415 1.00 0.00 H new ATOM 0 HG LEU A 143 -10.972 0.492 -2.488 1.00 0.00 H new ATOM 0 HD11 LEU A 143 -9.334 -1.289 -1.891 1.00 0.00 H new ATOM 0 HD12 LEU A 143 -10.820 -1.919 -2.639 1.00 0.00 H new ATOM 0 HD13 LEU A 143 -9.322 -1.808 -3.593 1.00 0.00 H new ATOM 0 HD21 LEU A 143 -8.549 0.958 -2.320 1.00 0.00 H new ATOM 0 HD22 LEU A 143 -8.415 0.748 -4.082 1.00 0.00 H new ATOM 0 HD23 LEU A 143 -9.415 2.061 -3.416 1.00 0.00 H new ATOM 1696 N LYS A 144 -11.092 -2.123 -7.411 1.00 0.00 N ATOM 1697 CA LYS A 144 -11.935 -2.918 -8.350 1.00 0.00 C ATOM 1698 C LYS A 144 -12.904 -3.906 -7.621 1.00 0.00 C ATOM 1699 O LYS A 144 -14.105 -3.864 -7.904 1.00 0.00 O ATOM 1700 CB LYS A 144 -11.051 -3.595 -9.444 1.00 0.00 C ATOM 1701 CG LYS A 144 -10.263 -2.615 -10.362 1.00 0.00 C ATOM 1702 CD LYS A 144 -9.879 -3.146 -11.764 1.00 0.00 C ATOM 1703 CE LYS A 144 -8.857 -4.299 -11.769 1.00 0.00 C ATOM 1704 NZ LYS A 144 -8.441 -4.613 -13.163 1.00 0.00 N ATOM 0 H LYS A 144 -10.188 -2.551 -7.213 1.00 0.00 H new ATOM 0 HA LYS A 144 -12.601 -2.225 -8.864 1.00 0.00 H new ATOM 0 HB2 LYS A 144 -10.339 -4.259 -8.953 1.00 0.00 H new ATOM 0 HB3 LYS A 144 -11.690 -4.219 -10.069 1.00 0.00 H new ATOM 0 HG2 LYS A 144 -10.860 -1.712 -10.490 1.00 0.00 H new ATOM 0 HG3 LYS A 144 -9.349 -2.322 -9.845 1.00 0.00 H new ATOM 0 HD2 LYS A 144 -10.785 -3.482 -12.269 1.00 0.00 H new ATOM 0 HD3 LYS A 144 -9.475 -2.320 -12.350 1.00 0.00 H new ATOM 0 HE2 LYS A 144 -7.985 -4.024 -11.175 1.00 0.00 H new ATOM 0 HE3 LYS A 144 -9.293 -5.183 -11.304 1.00 0.00 H new ATOM 0 HZ1 LYS A 144 -7.603 -5.228 -13.145 1.00 0.00 H new ATOM 0 HZ2 LYS A 144 -9.217 -5.100 -13.656 1.00 0.00 H new ATOM 0 HZ3 LYS A 144 -8.212 -3.731 -13.664 1.00 0.00 H new ATOM 1718 N THR A 145 -12.402 -4.773 -6.713 1.00 0.00 N ATOM 1719 CA THR A 145 -13.255 -5.653 -5.861 1.00 0.00 C ATOM 1720 C THR A 145 -12.574 -5.824 -4.470 1.00 0.00 C ATOM 1721 O THR A 145 -11.390 -6.162 -4.376 1.00 0.00 O ATOM 1722 CB THR A 145 -13.568 -7.053 -6.477 1.00 0.00 C ATOM 1723 OG1 THR A 145 -12.374 -7.765 -6.790 1.00 0.00 O ATOM 1724 CG2 THR A 145 -14.465 -7.036 -7.728 1.00 0.00 C ATOM 0 H THR A 145 -11.402 -4.887 -6.546 1.00 0.00 H new ATOM 0 HA THR A 145 -14.221 -5.155 -5.774 1.00 0.00 H new ATOM 0 HB THR A 145 -14.130 -7.556 -5.690 1.00 0.00 H new ATOM 0 HG1 THR A 145 -12.604 -8.638 -7.172 1.00 0.00 H new ATOM 0 HG21 THR A 145 -14.622 -8.057 -8.077 1.00 0.00 H new ATOM 0 HG22 THR A 145 -15.426 -6.586 -7.480 1.00 0.00 H new ATOM 0 HG23 THR A 145 -13.983 -6.454 -8.513 1.00 0.00 H new ATOM 1732 N ALA A 146 -13.356 -5.643 -3.389 1.00 0.00 N ATOM 1733 CA ALA A 146 -12.899 -5.911 -2.000 1.00 0.00 C ATOM 1734 C ALA A 146 -13.456 -7.279 -1.528 1.00 0.00 C ATOM 1735 O ALA A 146 -14.675 -7.479 -1.471 1.00 0.00 O ATOM 1736 CB ALA A 146 -13.363 -4.767 -1.083 1.00 0.00 C ATOM 0 H ALA A 146 -14.318 -5.309 -3.446 1.00 0.00 H new ATOM 0 HA ALA A 146 -11.811 -5.958 -1.962 1.00 0.00 H new ATOM 0 HB1 ALA A 146 -13.030 -4.960 -0.063 1.00 0.00 H new ATOM 0 HB2 ALA A 146 -12.938 -3.826 -1.432 1.00 0.00 H new ATOM 0 HB3 ALA A 146 -14.451 -4.703 -1.103 1.00 0.00 H new ATOM 1742 N VAL A 147 -12.545 -8.217 -1.213 1.00 0.00 N ATOM 1743 CA VAL A 147 -12.899 -9.600 -0.775 1.00 0.00 C ATOM 1744 C VAL A 147 -12.079 -9.974 0.501 1.00 0.00 C ATOM 1745 O VAL A 147 -11.087 -9.330 0.859 1.00 0.00 O ATOM 1746 CB VAL A 147 -12.770 -10.655 -1.936 1.00 0.00 C ATOM 1747 CG1 VAL A 147 -13.803 -10.451 -3.067 1.00 0.00 C ATOM 1748 CG2 VAL A 147 -11.356 -10.816 -2.541 1.00 0.00 C ATOM 0 H VAL A 147 -11.540 -8.048 -1.251 1.00 0.00 H new ATOM 0 HA VAL A 147 -13.955 -9.621 -0.507 1.00 0.00 H new ATOM 0 HB VAL A 147 -12.989 -11.590 -1.420 1.00 0.00 H new ATOM 0 HG11 VAL A 147 -13.658 -11.212 -3.834 1.00 0.00 H new ATOM 0 HG12 VAL A 147 -14.810 -10.535 -2.659 1.00 0.00 H new ATOM 0 HG13 VAL A 147 -13.671 -9.462 -3.507 1.00 0.00 H new ATOM 0 HG21 VAL A 147 -11.382 -11.567 -3.331 1.00 0.00 H new ATOM 0 HG22 VAL A 147 -11.027 -9.863 -2.956 1.00 0.00 H new ATOM 0 HG23 VAL A 147 -10.661 -11.132 -1.763 1.00 0.00 H new ATOM 1758 N ASP A 148 -12.497 -11.052 1.187 1.00 0.00 N ATOM 1759 CA ASP A 148 -11.759 -11.624 2.349 1.00 0.00 C ATOM 1760 C ASP A 148 -10.467 -12.443 1.979 1.00 0.00 C ATOM 1761 O ASP A 148 -10.078 -12.556 0.809 1.00 0.00 O ATOM 1762 CB ASP A 148 -12.815 -12.377 3.213 1.00 0.00 C ATOM 1763 CG ASP A 148 -13.378 -13.674 2.625 1.00 0.00 C ATOM 1764 OD1 ASP A 148 -14.342 -13.603 1.833 1.00 0.00 O ATOM 1765 OD2 ASP A 148 -12.846 -14.756 2.945 1.00 0.00 O ATOM 0 H ASP A 148 -13.353 -11.557 0.960 1.00 0.00 H new ATOM 0 HA ASP A 148 -11.307 -10.828 2.940 1.00 0.00 H new ATOM 0 HB2 ASP A 148 -12.365 -12.607 4.179 1.00 0.00 H new ATOM 0 HB3 ASP A 148 -13.647 -11.699 3.403 1.00 0.00 H new ATOM 1770 N GLY A 149 -9.791 -12.987 3.010 1.00 0.00 N ATOM 1771 CA GLY A 149 -8.657 -13.923 2.830 1.00 0.00 C ATOM 1772 C GLY A 149 -9.092 -15.379 3.133 1.00 0.00 C ATOM 1773 O GLY A 149 -9.153 -15.709 4.322 1.00 0.00 O ATOM 0 H GLY A 149 -10.012 -12.793 3.987 1.00 0.00 H new ATOM 0 HA2 GLY A 149 -8.283 -13.856 1.809 1.00 0.00 H new ATOM 0 HA3 GLY A 149 -7.837 -13.639 3.489 1.00 0.00 H new