USER MOD reduce.3.24.130724 H: found=0, std=0, add=806, rem=0, adj=30 USER MOD reduce.3.24.130724 removed 805 hydrogens (0 hets) USER MOD ----------------------------------------------------------------- USER MOD scores for adjustable sidechains, with "set" totals for H,N and Q USER MOD "o" means original, "f" means flipped, "180deg" is methyl default USER MOD "!" flags a clash with an overlap of 0.40A or greater USER MOD flip categories: "K"=keep, "C"=clashes, "X"=uncertain, "F"=flip USER MOD Set 1.1: A 101 SER OG : rot 180:sc= 0.0575 USER MOD Set 1.2: A 103 LYS NZ :NH3+ -173:sc= 1.29 (180deg=1.1) USER MOD Set 2.1: A 93 ASN : amide:sc= -3.37 K(o=-4.8,f=-6.3!) USER MOD Set 2.2: A 100 ASN : amide:sc= -1.39 X(o=-4.8,f=-4.5) USER MOD Set 3.1: A 67 LYS NZ :NH3+ -160:sc= 0.695 (180deg=-0.199) USER MOD Set 3.2: A 69 TYR OH : rot 180:sc= 0.644 USER MOD Single : A 6 LYS NZ :NH3+ 161:sc= -0.013 (180deg=-0.22) USER MOD Single : A 11 GLN :FLIP amide:sc= -0.0454 F(o=-1.8!,f=-0.045) USER MOD Single : A 15 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 19 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 24 GLN : amide:sc= -0.441 X(o=-0.44,f=-0.42) USER MOD Single : A 29 THR OG1 : rot 180:sc= 0 USER MOD Single : A 30 CYS SG : rot -51:sc= 0.899 USER MOD Single : A 31 TYR OH : rot -63:sc= 1.03 USER MOD Single : A 32 THR OG1 : rot 180:sc= 0 USER MOD Single : A 34 ASN : amide:sc= -0.164 K(o=-0.16,f=-1.1) USER MOD Single : A 37 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 38 THR OG1 : rot 62:sc= 0.206 USER MOD Single : A 39 TYR OH : rot 7:sc= 1.15 USER MOD Single : A 42 TYR OH : rot 180:sc= 0 USER MOD Single : A 43 THR OG1 : rot 180:sc= 0 USER MOD Single : A 56 THR OG1 : rot 180:sc= 0 USER MOD Single : A 57 TYR OH : rot 26:sc= 1.23 USER MOD Single : A 60 SER OG : rot 180:sc= 0 USER MOD Single : A 64 LYS NZ :NH3+ 154:sc= 1.97 (180deg=1.2) USER MOD Single : A 71 LYS NZ :NH3+ -145:sc= 1.23 (180deg=-0.082) USER MOD Single : A 74 HIS : no HD1:sc= -0.82 X(o=-0.82,f=-0.56) USER MOD Single : A 75 CYS SG : rot 180:sc= -0.211 USER MOD Single : A 76 THR OG1 : rot 180:sc= 0 USER MOD Single : A 78 GLN : amide:sc= -0.316 X(o=-0.32,f=0) USER MOD Single : A 79 TYR OH : rot 96:sc= 0.674 USER MOD Single : A 80 HIS : no HD1:sc= 0 X(o=0,f=-0.014) USER MOD Single : A 83 LYS NZ :NH3+ 169:sc= 0 (180deg=-0.0733) USER MOD Single : A 85 THR OG1 : rot -65:sc= 1.12 USER MOD Single : A 86 SER OG : rot 180:sc= 0 USER MOD Single : A 87 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 89 MET CE :methyl 142:sc= -1.28 (180deg=-5.33!) USER MOD Single : A 90 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 95 SER OG : rot 180:sc= 0 USER MOD Single : A 97 LYS NZ :NH3+ -171:sc= 0 (180deg=-0.0929) USER MOD Single : A 107 LYS NZ :NH3+ -129:sc= 1.26 (180deg=0.188) USER MOD Single : A 108 TYR OH : rot 180:sc= 0 USER MOD Single : A 109 ASN : amide:sc= 0.249 K(o=0.25,f=-0.7) USER MOD ----------------------------------------------------------------- ATOM 59 N LYS A 6 17.258 -3.134 -0.605 1.00 23.51 N ATOM 60 CA LYS A 6 16.752 -1.798 -0.331 1.00 51.13 C ATOM 61 C LYS A 6 15.424 -1.508 -1.024 1.00 60.24 C ATOM 62 O LYS A 6 14.925 -2.272 -1.843 1.00 0.14 O ATOM 63 CB LYS A 6 17.805 -0.759 -0.684 1.00 71.24 C ATOM 64 CG LYS A 6 19.047 -0.887 0.185 1.00 44.32 C ATOM 65 CD LYS A 6 19.969 0.313 -0.029 1.00 42.23 C ATOM 66 CE LYS A 6 21.347 0.025 0.562 1.00 62.54 C ATOM 67 NZ LYS A 6 22.089 -0.935 -0.276 1.00 31.41 N ATOM 0 HA LYS A 6 16.544 -1.743 0.738 1.00 51.13 H new ATOM 0 HB2 LYS A 6 18.084 -0.867 -1.732 1.00 71.24 H new ATOM 0 HB3 LYS A 6 17.383 0.239 -0.568 1.00 71.24 H new ATOM 0 HG2 LYS A 6 18.760 -0.951 1.235 1.00 44.32 H new ATOM 0 HG3 LYS A 6 19.576 -1.809 -0.058 1.00 44.32 H new ATOM 0 HD2 LYS A 6 20.059 0.528 -1.094 1.00 42.23 H new ATOM 0 HD3 LYS A 6 19.541 1.199 0.440 1.00 42.23 H new ATOM 0 HE2 LYS A 6 21.912 0.953 0.646 1.00 62.54 H new ATOM 0 HE3 LYS A 6 21.238 -0.374 1.570 1.00 62.54 H new ATOM 0 HZ1 LYS A 6 23.104 -0.876 -0.056 1.00 31.41 H new ATOM 0 HZ2 LYS A 6 21.749 -1.899 -0.084 1.00 31.41 H new ATOM 0 HZ3 LYS A 6 21.938 -0.708 -1.280 1.00 31.41 H new ATOM 81 N VAL A 7 14.829 -0.398 -0.604 1.00 55.45 N ATOM 82 CA VAL A 7 13.540 0.053 -1.068 1.00 12.04 C ATOM 83 C VAL A 7 13.737 0.867 -2.336 1.00 31.51 C ATOM 84 O VAL A 7 14.278 1.974 -2.315 1.00 62.53 O ATOM 85 CB VAL A 7 12.770 0.771 0.053 1.00 64.24 C ATOM 86 CG1 VAL A 7 13.573 1.807 0.854 1.00 44.13 C ATOM 87 CG2 VAL A 7 11.494 1.413 -0.523 1.00 62.42 C ATOM 0 H VAL A 7 15.248 0.224 0.087 1.00 55.45 H new ATOM 0 HA VAL A 7 12.901 -0.790 -1.332 1.00 12.04 H new ATOM 0 HB VAL A 7 12.527 -0.007 0.777 1.00 64.24 H new ATOM 0 HG11 VAL A 7 12.934 2.252 1.617 1.00 44.13 H new ATOM 0 HG12 VAL A 7 14.423 1.319 1.331 1.00 44.13 H new ATOM 0 HG13 VAL A 7 13.933 2.587 0.183 1.00 44.13 H new ATOM 0 HG21 VAL A 7 10.951 1.921 0.274 1.00 62.42 H new ATOM 0 HG22 VAL A 7 11.766 2.134 -1.294 1.00 62.42 H new ATOM 0 HG23 VAL A 7 10.861 0.639 -0.957 1.00 62.42 H new ATOM 97 N GLU A 8 13.271 0.293 -3.440 1.00 20.14 N ATOM 98 CA GLU A 8 13.252 0.966 -4.728 1.00 74.24 C ATOM 99 C GLU A 8 11.876 1.547 -5.040 1.00 72.15 C ATOM 100 O GLU A 8 10.851 1.110 -4.507 1.00 60.41 O ATOM 101 CB GLU A 8 13.721 0.010 -5.837 1.00 51.12 C ATOM 102 CG GLU A 8 15.173 0.286 -6.230 1.00 52.44 C ATOM 103 CD GLU A 8 15.322 1.589 -7.019 1.00 40.04 C ATOM 104 OE1 GLU A 8 15.165 2.675 -6.411 1.00 53.23 O ATOM 105 OE2 GLU A 8 15.541 1.569 -8.250 1.00 4.22 O ATOM 0 H GLU A 8 12.895 -0.655 -3.464 1.00 20.14 H new ATOM 0 HA GLU A 8 13.947 1.804 -4.681 1.00 74.24 H new ATOM 0 HB2 GLU A 8 13.624 -1.021 -5.497 1.00 51.12 H new ATOM 0 HB3 GLU A 8 13.078 0.119 -6.711 1.00 51.12 H new ATOM 0 HG2 GLU A 8 15.788 0.336 -5.331 1.00 52.44 H new ATOM 0 HG3 GLU A 8 15.549 -0.544 -6.828 1.00 52.44 H new ATOM 112 N ILE A 9 11.852 2.538 -5.935 1.00 20.24 N ATOM 113 CA ILE A 9 10.631 3.186 -6.402 1.00 72.22 C ATOM 114 C ILE A 9 9.861 2.211 -7.309 1.00 52.35 C ATOM 115 O ILE A 9 8.805 1.748 -6.878 1.00 20.51 O ATOM 116 CB ILE A 9 10.916 4.589 -6.996 1.00 24.24 C ATOM 117 CG1 ILE A 9 11.235 5.636 -5.903 1.00 63.41 C ATOM 118 CG2 ILE A 9 9.708 5.138 -7.766 1.00 15.04 C ATOM 119 CD1 ILE A 9 12.599 5.470 -5.235 1.00 0.40 C ATOM 0 H ILE A 9 12.698 2.917 -6.361 1.00 20.24 H new ATOM 0 HA ILE A 9 9.966 3.407 -5.567 1.00 72.22 H new ATOM 0 HB ILE A 9 11.773 4.444 -7.654 1.00 24.24 H new ATOM 0 HG12 ILE A 9 11.182 6.631 -6.346 1.00 63.41 H new ATOM 0 HG13 ILE A 9 10.462 5.587 -5.136 1.00 63.41 H new ATOM 0 HG21 ILE A 9 9.949 6.123 -8.166 1.00 15.04 H new ATOM 0 HG22 ILE A 9 9.462 4.463 -8.586 1.00 15.04 H new ATOM 0 HG23 ILE A 9 8.854 5.219 -7.094 1.00 15.04 H new ATOM 0 HD11 ILE A 9 12.733 6.248 -4.484 1.00 0.40 H new ATOM 0 HD12 ILE A 9 12.654 4.492 -4.758 1.00 0.40 H new ATOM 0 HD13 ILE A 9 13.384 5.552 -5.986 1.00 0.40 H new ATOM 131 N PRO A 10 10.357 1.811 -8.500 1.00 40.45 N ATOM 132 CA PRO A 10 9.603 0.939 -9.401 1.00 64.41 C ATOM 133 C PRO A 10 9.368 -0.469 -8.832 1.00 1.32 C ATOM 134 O PRO A 10 8.542 -1.227 -9.351 1.00 51.43 O ATOM 135 CB PRO A 10 10.378 0.919 -10.721 1.00 63.22 C ATOM 136 CG PRO A 10 11.805 1.278 -10.316 1.00 74.31 C ATOM 137 CD PRO A 10 11.606 2.218 -9.132 1.00 4.00 C ATOM 0 HA PRO A 10 8.594 1.326 -9.545 1.00 64.41 H new ATOM 0 HB2 PRO A 10 10.332 -0.061 -11.196 1.00 63.22 H new ATOM 0 HB3 PRO A 10 9.972 1.638 -11.433 1.00 63.22 H new ATOM 0 HG2 PRO A 10 12.378 0.394 -10.036 1.00 74.31 H new ATOM 0 HG3 PRO A 10 12.344 1.764 -11.129 1.00 74.31 H new ATOM 0 HD2 PRO A 10 12.439 2.146 -8.432 1.00 4.00 H new ATOM 0 HD3 PRO A 10 11.556 3.256 -9.462 1.00 4.00 H new ATOM 145 N GLN A 11 10.038 -0.841 -7.738 1.00 20.54 N ATOM 146 CA GLN A 11 9.726 -2.061 -7.008 1.00 62.33 C ATOM 147 C GLN A 11 8.311 -2.006 -6.416 1.00 40.33 C ATOM 148 O GLN A 11 7.647 -3.043 -6.354 1.00 40.44 O ATOM 149 CB GLN A 11 10.829 -2.328 -5.975 1.00 4.43 C ATOM 150 CG GLN A 11 10.865 -3.771 -5.443 1.00 22.31 C ATOM 151 CD GLN A 11 11.645 -4.757 -6.320 1.00 51.32 C ATOM 152 OE1 GLN A 11 11.385 -4.839 -7.616 1.00 35.21 O flip ATOM 153 NE2 GLN A 11 12.493 -5.492 -5.828 1.00 75.42 N flip ATOM 0 H GLN A 11 10.808 -0.304 -7.339 1.00 20.54 H new ATOM 0 HA GLN A 11 9.712 -2.914 -7.687 1.00 62.33 H new ATOM 0 HB2 GLN A 11 11.795 -2.095 -6.424 1.00 4.43 H new ATOM 0 HB3 GLN A 11 10.695 -1.647 -5.135 1.00 4.43 H new ATOM 0 HG2 GLN A 11 11.305 -3.765 -4.446 1.00 22.31 H new ATOM 0 HG3 GLN A 11 9.841 -4.131 -5.337 1.00 22.31 H new ATOM 0 HE21 GLN A 11 12.700 -5.436 -4.831 1.00 75.42 H new ATOM 0 HE22 GLN A 11 12.992 -6.160 -6.416 1.00 75.42 H new ATOM 162 N LEU A 12 7.785 -0.817 -6.107 1.00 14.42 N ATOM 163 CA LEU A 12 6.423 -0.652 -5.608 1.00 2.21 C ATOM 164 C LEU A 12 5.365 -1.047 -6.640 1.00 42.15 C ATOM 165 O LEU A 12 4.338 -1.587 -6.246 1.00 75.14 O ATOM 166 CB LEU A 12 6.196 0.812 -5.188 1.00 23.31 C ATOM 167 CG LEU A 12 4.834 1.081 -4.510 1.00 2.40 C ATOM 168 CD1 LEU A 12 4.776 0.483 -3.098 1.00 72.44 C ATOM 169 CD2 LEU A 12 4.609 2.589 -4.412 1.00 1.54 C ATOM 0 H LEU A 12 8.297 0.060 -6.198 1.00 14.42 H new ATOM 0 HA LEU A 12 6.315 -1.319 -4.752 1.00 2.21 H new ATOM 0 HB2 LEU A 12 6.992 1.108 -4.505 1.00 23.31 H new ATOM 0 HB3 LEU A 12 6.280 1.447 -6.070 1.00 23.31 H new ATOM 0 HG LEU A 12 4.060 0.611 -5.116 1.00 2.40 H new ATOM 0 HD11 LEU A 12 3.803 0.693 -2.654 1.00 72.44 H new ATOM 0 HD12 LEU A 12 4.925 -0.595 -3.153 1.00 72.44 H new ATOM 0 HD13 LEU A 12 5.559 0.926 -2.483 1.00 72.44 H new ATOM 0 HD21 LEU A 12 3.649 2.783 -3.934 1.00 1.54 H new ATOM 0 HD22 LEU A 12 5.406 3.038 -3.820 1.00 1.54 H new ATOM 0 HD23 LEU A 12 4.611 3.023 -5.412 1.00 1.54 H new ATOM 181 N VAL A 13 5.621 -0.814 -7.931 1.00 22.01 N ATOM 182 CA VAL A 13 4.637 -0.806 -9.022 1.00 24.42 C ATOM 183 C VAL A 13 3.917 -2.157 -9.222 1.00 74.44 C ATOM 184 O VAL A 13 2.916 -2.235 -9.934 1.00 3.34 O ATOM 185 CB VAL A 13 5.358 -0.318 -10.303 1.00 42.14 C ATOM 186 CG1 VAL A 13 4.441 -0.259 -11.526 1.00 64.44 C ATOM 187 CG2 VAL A 13 5.947 1.095 -10.138 1.00 72.41 C ATOM 0 H VAL A 13 6.565 -0.616 -8.261 1.00 22.01 H new ATOM 0 HA VAL A 13 3.828 -0.122 -8.763 1.00 24.42 H new ATOM 0 HB VAL A 13 6.144 -1.057 -10.458 1.00 42.14 H new ATOM 0 HG11 VAL A 13 5.008 0.090 -12.389 1.00 64.44 H new ATOM 0 HG12 VAL A 13 4.043 -1.253 -11.731 1.00 64.44 H new ATOM 0 HG13 VAL A 13 3.617 0.428 -11.331 1.00 64.44 H new ATOM 0 HG21 VAL A 13 6.442 1.393 -11.062 1.00 72.41 H new ATOM 0 HG22 VAL A 13 5.146 1.799 -9.912 1.00 72.41 H new ATOM 0 HG23 VAL A 13 6.670 1.095 -9.323 1.00 72.41 H new ATOM 197 N GLY A 14 4.392 -3.228 -8.592 1.00 24.43 N ATOM 198 CA GLY A 14 3.757 -4.535 -8.595 1.00 13.40 C ATOM 199 C GLY A 14 2.488 -4.589 -7.756 1.00 44.11 C ATOM 200 O GLY A 14 1.836 -3.583 -7.465 1.00 4.14 O ATOM 0 H GLY A 14 5.256 -3.206 -8.050 1.00 24.43 H new ATOM 0 HA2 GLY A 14 3.518 -4.813 -9.622 1.00 13.40 H new ATOM 0 HA3 GLY A 14 4.464 -5.276 -8.221 1.00 13.40 H new ATOM 204 N LYS A 15 2.089 -5.818 -7.464 1.00 64.34 N ATOM 205 CA LYS A 15 0.799 -6.175 -6.901 1.00 2.12 C ATOM 206 C LYS A 15 1.050 -6.570 -5.453 1.00 55.12 C ATOM 207 O LYS A 15 2.056 -7.236 -5.177 1.00 61.24 O ATOM 208 CB LYS A 15 0.227 -7.337 -7.733 1.00 35.02 C ATOM 209 CG LYS A 15 0.047 -6.976 -9.218 1.00 41.15 C ATOM 210 CD LYS A 15 -0.278 -8.197 -10.084 1.00 0.11 C ATOM 211 CE LYS A 15 -0.388 -7.705 -11.529 1.00 0.33 C ATOM 212 NZ LYS A 15 -0.586 -8.796 -12.499 1.00 33.33 N ATOM 0 H LYS A 15 2.685 -6.630 -7.621 1.00 64.34 H new ATOM 0 HA LYS A 15 0.076 -5.360 -6.926 1.00 2.12 H new ATOM 0 HB2 LYS A 15 0.891 -8.198 -7.651 1.00 35.02 H new ATOM 0 HB3 LYS A 15 -0.735 -7.636 -7.317 1.00 35.02 H new ATOM 0 HG2 LYS A 15 -0.753 -6.242 -9.316 1.00 41.15 H new ATOM 0 HG3 LYS A 15 0.958 -6.505 -9.587 1.00 41.15 H new ATOM 0 HD2 LYS A 15 0.502 -8.953 -9.992 1.00 0.11 H new ATOM 0 HD3 LYS A 15 -1.211 -8.660 -9.762 1.00 0.11 H new ATOM 0 HE2 LYS A 15 -1.219 -7.004 -11.605 1.00 0.33 H new ATOM 0 HE3 LYS A 15 0.517 -7.156 -11.789 1.00 0.33 H new ATOM 0 HZ1 LYS A 15 -0.653 -8.400 -13.458 1.00 33.33 H new ATOM 0 HZ2 LYS A 15 0.219 -9.453 -12.451 1.00 33.33 H new ATOM 0 HZ3 LYS A 15 -1.464 -9.306 -12.273 1.00 33.33 H new ATOM 226 N TRP A 16 0.172 -6.178 -4.529 1.00 35.12 N ATOM 227 CA TRP A 16 0.391 -6.421 -3.112 1.00 63.02 C ATOM 228 C TRP A 16 -0.920 -6.718 -2.402 1.00 20.34 C ATOM 229 O TRP A 16 -1.937 -6.077 -2.668 1.00 41.40 O ATOM 230 CB TRP A 16 1.072 -5.207 -2.475 1.00 34.00 C ATOM 231 CG TRP A 16 2.340 -4.733 -3.103 1.00 13.33 C ATOM 232 CD1 TRP A 16 2.438 -3.956 -4.203 1.00 12.42 C ATOM 233 CD2 TRP A 16 3.698 -4.945 -2.634 1.00 22.42 C ATOM 234 NE1 TRP A 16 3.760 -3.638 -4.420 1.00 63.23 N ATOM 235 CE2 TRP A 16 4.593 -4.239 -3.491 1.00 53.13 C ATOM 236 CE3 TRP A 16 4.253 -5.676 -1.564 1.00 74.05 C ATOM 237 CZ2 TRP A 16 5.983 -4.263 -3.285 1.00 40.12 C ATOM 238 CZ3 TRP A 16 5.638 -5.736 -1.368 1.00 62.11 C ATOM 239 CH2 TRP A 16 6.495 -5.025 -2.216 1.00 12.10 C ATOM 0 H TRP A 16 -0.698 -5.690 -4.742 1.00 35.12 H new ATOM 0 HA TRP A 16 1.038 -7.292 -3.008 1.00 63.02 H new ATOM 0 HB2 TRP A 16 0.362 -4.380 -2.479 1.00 34.00 H new ATOM 0 HB3 TRP A 16 1.279 -5.444 -1.431 1.00 34.00 H new ATOM 0 HD1 TRP A 16 1.609 -3.634 -4.816 1.00 12.42 H new ATOM 0 HE1 TRP A 16 4.086 -3.033 -5.174 1.00 63.23 H new ATOM 0 HE3 TRP A 16 3.598 -6.199 -0.883 1.00 74.05 H new ATOM 0 HZ2 TRP A 16 6.646 -3.708 -3.933 1.00 40.12 H new ATOM 0 HZ3 TRP A 16 6.045 -6.330 -0.563 1.00 62.11 H new ATOM 0 HH2 TRP A 16 7.561 -5.061 -2.049 1.00 12.10 H new ATOM 250 N ILE A 17 -0.886 -7.635 -1.438 1.00 31.01 N ATOM 251 CA ILE A 17 -1.990 -7.921 -0.540 1.00 34.32 C ATOM 252 C ILE A 17 -1.621 -7.381 0.841 1.00 71.21 C ATOM 253 O ILE A 17 -0.515 -7.610 1.334 1.00 53.35 O ATOM 254 CB ILE A 17 -2.313 -9.430 -0.581 1.00 11.33 C ATOM 255 CG1 ILE A 17 -3.752 -9.715 -0.119 1.00 1.45 C ATOM 256 CG2 ILE A 17 -1.368 -10.302 0.231 1.00 4.40 C ATOM 257 CD1 ILE A 17 -4.689 -9.610 -1.309 1.00 12.11 C ATOM 0 H ILE A 17 -0.065 -8.213 -1.259 1.00 31.01 H new ATOM 0 HA ILE A 17 -2.912 -7.424 -0.841 1.00 34.32 H new ATOM 0 HB ILE A 17 -2.185 -9.697 -1.630 1.00 11.33 H new ATOM 0 HG12 ILE A 17 -3.815 -10.710 0.322 1.00 1.45 H new ATOM 0 HG13 ILE A 17 -4.046 -9.005 0.654 1.00 1.45 H new ATOM 0 HG21 ILE A 17 -1.671 -11.346 0.144 1.00 4.40 H new ATOM 0 HG22 ILE A 17 -0.352 -10.186 -0.146 1.00 4.40 H new ATOM 0 HG23 ILE A 17 -1.403 -10.000 1.278 1.00 4.40 H new ATOM 0 HD11 ILE A 17 -5.711 -9.811 -0.987 1.00 12.11 H new ATOM 0 HD12 ILE A 17 -4.632 -8.606 -1.729 1.00 12.11 H new ATOM 0 HD13 ILE A 17 -4.398 -10.337 -2.067 1.00 12.11 H new ATOM 269 N VAL A 18 -2.545 -6.659 1.471 1.00 52.50 N ATOM 270 CA VAL A 18 -2.390 -6.061 2.810 1.00 63.32 C ATOM 271 C VAL A 18 -2.701 -7.113 3.894 1.00 15.35 C ATOM 272 O VAL A 18 -2.924 -6.800 5.061 1.00 32.04 O ATOM 273 CB VAL A 18 -3.335 -4.843 2.950 1.00 51.33 C ATOM 274 CG1 VAL A 18 -2.838 -3.898 4.045 1.00 51.40 C ATOM 275 CG2 VAL A 18 -3.551 -4.025 1.664 1.00 64.20 C ATOM 0 H VAL A 18 -3.456 -6.463 1.056 1.00 52.50 H new ATOM 0 HA VAL A 18 -1.362 -5.724 2.939 1.00 63.32 H new ATOM 0 HB VAL A 18 -4.299 -5.283 3.205 1.00 51.33 H new ATOM 0 HG11 VAL A 18 -3.516 -3.048 4.128 1.00 51.40 H new ATOM 0 HG12 VAL A 18 -2.804 -4.429 4.996 1.00 51.40 H new ATOM 0 HG13 VAL A 18 -1.839 -3.542 3.793 1.00 51.40 H new ATOM 0 HG21 VAL A 18 -4.228 -3.196 1.870 1.00 64.20 H new ATOM 0 HG22 VAL A 18 -2.595 -3.635 1.316 1.00 64.20 H new ATOM 0 HG23 VAL A 18 -3.984 -4.664 0.895 1.00 64.20 H new ATOM 285 N LYS A 19 -2.844 -8.376 3.499 1.00 35.01 N ATOM 286 CA LYS A 19 -3.474 -9.431 4.285 1.00 41.41 C ATOM 287 C LYS A 19 -2.476 -10.017 5.297 1.00 41.45 C ATOM 288 O LYS A 19 -2.345 -11.230 5.443 1.00 11.44 O ATOM 289 CB LYS A 19 -4.108 -10.448 3.305 1.00 71.21 C ATOM 290 CG LYS A 19 -4.937 -11.555 3.970 1.00 0.13 C ATOM 291 CD LYS A 19 -5.795 -12.395 3.005 1.00 72.40 C ATOM 292 CE LYS A 19 -4.951 -13.304 2.097 1.00 40.11 C ATOM 293 NZ LYS A 19 -5.775 -14.226 1.283 1.00 44.41 N ATOM 0 H LYS A 19 -2.513 -8.703 2.591 1.00 35.01 H new ATOM 0 HA LYS A 19 -4.285 -9.051 4.906 1.00 41.41 H new ATOM 0 HB2 LYS A 19 -4.745 -9.907 2.605 1.00 71.21 H new ATOM 0 HB3 LYS A 19 -3.313 -10.911 2.720 1.00 71.21 H new ATOM 0 HG2 LYS A 19 -4.261 -12.222 4.506 1.00 0.13 H new ATOM 0 HG3 LYS A 19 -5.592 -11.101 4.713 1.00 0.13 H new ATOM 0 HD2 LYS A 19 -6.488 -13.007 3.581 1.00 72.40 H new ATOM 0 HD3 LYS A 19 -6.397 -11.729 2.387 1.00 72.40 H new ATOM 0 HE2 LYS A 19 -4.344 -12.686 1.435 1.00 40.11 H new ATOM 0 HE3 LYS A 19 -4.263 -13.885 2.711 1.00 40.11 H new ATOM 0 HZ1 LYS A 19 -5.155 -14.814 0.691 1.00 44.41 H new ATOM 0 HZ2 LYS A 19 -6.336 -14.837 1.911 1.00 44.41 H new ATOM 0 HZ3 LYS A 19 -6.414 -13.675 0.675 1.00 44.41 H new ATOM 307 N GLU A 20 -1.704 -9.164 5.959 1.00 54.41 N ATOM 308 CA GLU A 20 -0.524 -9.585 6.694 1.00 44.01 C ATOM 309 C GLU A 20 -0.198 -8.502 7.743 1.00 42.04 C ATOM 310 O GLU A 20 0.542 -7.577 7.455 1.00 1.04 O ATOM 311 CB GLU A 20 0.593 -9.819 5.661 1.00 64.12 C ATOM 312 CG GLU A 20 1.092 -11.265 5.580 1.00 12.23 C ATOM 313 CD GLU A 20 2.096 -11.663 6.664 1.00 15.44 C ATOM 314 OE1 GLU A 20 2.932 -10.841 7.112 1.00 74.15 O ATOM 315 OE2 GLU A 20 2.065 -12.844 7.080 1.00 62.41 O ATOM 0 H GLU A 20 -1.881 -8.160 6.000 1.00 54.41 H new ATOM 0 HA GLU A 20 -0.662 -10.515 7.245 1.00 44.01 H new ATOM 0 HB2 GLU A 20 0.230 -9.518 4.678 1.00 64.12 H new ATOM 0 HB3 GLU A 20 1.435 -9.171 5.902 1.00 64.12 H new ATOM 0 HG2 GLU A 20 0.233 -11.934 5.638 1.00 12.23 H new ATOM 0 HG3 GLU A 20 1.552 -11.421 4.604 1.00 12.23 H new ATOM 322 N PRO A 21 -0.748 -8.539 8.961 1.00 20.41 N ATOM 323 CA PRO A 21 -1.636 -9.575 9.428 1.00 75.24 C ATOM 324 C PRO A 21 -3.034 -9.403 8.833 1.00 52.20 C ATOM 325 O PRO A 21 -3.431 -8.307 8.416 1.00 31.25 O ATOM 326 CB PRO A 21 -1.661 -9.427 10.948 1.00 71.42 C ATOM 327 CG PRO A 21 -1.414 -7.929 11.153 1.00 44.12 C ATOM 328 CD PRO A 21 -0.467 -7.570 10.007 1.00 2.33 C ATOM 0 HA PRO A 21 -1.299 -10.567 9.126 1.00 75.24 H new ATOM 0 HB2 PRO A 21 -2.617 -9.740 11.368 1.00 71.42 H new ATOM 0 HB3 PRO A 21 -0.890 -10.032 11.425 1.00 71.42 H new ATOM 0 HG2 PRO A 21 -2.341 -7.358 11.103 1.00 44.12 H new ATOM 0 HG3 PRO A 21 -0.965 -7.724 12.125 1.00 44.12 H new ATOM 0 HD2 PRO A 21 -0.640 -6.552 9.657 1.00 2.33 H new ATOM 0 HD3 PRO A 21 0.574 -7.625 10.325 1.00 2.33 H new ATOM 336 N VAL A 22 -3.786 -10.500 8.827 1.00 60.32 N ATOM 337 CA VAL A 22 -5.143 -10.560 8.302 1.00 44.21 C ATOM 338 C VAL A 22 -6.013 -9.599 9.117 1.00 51.33 C ATOM 339 O VAL A 22 -5.773 -9.365 10.308 1.00 35.35 O ATOM 340 CB VAL A 22 -5.668 -12.016 8.329 1.00 13.35 C ATOM 341 CG1 VAL A 22 -6.982 -12.190 7.550 1.00 41.13 C ATOM 342 CG2 VAL A 22 -4.654 -12.988 7.712 1.00 62.02 C ATOM 0 H VAL A 22 -3.459 -11.393 9.197 1.00 60.32 H new ATOM 0 HA VAL A 22 -5.171 -10.248 7.258 1.00 44.21 H new ATOM 0 HB VAL A 22 -5.834 -12.237 9.384 1.00 13.35 H new ATOM 0 HG11 VAL A 22 -7.302 -13.231 7.604 1.00 41.13 H new ATOM 0 HG12 VAL A 22 -7.750 -11.551 7.985 1.00 41.13 H new ATOM 0 HG13 VAL A 22 -6.827 -11.912 6.508 1.00 41.13 H new ATOM 0 HG21 VAL A 22 -5.054 -14.001 7.747 1.00 62.02 H new ATOM 0 HG22 VAL A 22 -4.465 -12.708 6.676 1.00 62.02 H new ATOM 0 HG23 VAL A 22 -3.721 -12.946 8.275 1.00 62.02 H new ATOM 352 N LEU A 23 -7.014 -9.016 8.458 1.00 44.22 N ATOM 353 CA LEU A 23 -8.054 -8.247 9.135 1.00 42.21 C ATOM 354 C LEU A 23 -8.981 -9.220 9.861 1.00 13.14 C ATOM 355 O LEU A 23 -8.658 -10.399 10.021 1.00 40.53 O ATOM 356 CB LEU A 23 -8.818 -7.340 8.150 1.00 21.12 C ATOM 357 CG LEU A 23 -7.952 -6.308 7.405 1.00 44.10 C ATOM 358 CD1 LEU A 23 -8.839 -5.364 6.586 1.00 13.32 C ATOM 359 CD2 LEU A 23 -7.110 -5.491 8.386 1.00 2.44 C ATOM 0 H LEU A 23 -7.125 -9.064 7.445 1.00 44.22 H new ATOM 0 HA LEU A 23 -7.600 -7.577 9.865 1.00 42.21 H new ATOM 0 HB2 LEU A 23 -9.319 -7.970 7.414 1.00 21.12 H new ATOM 0 HB3 LEU A 23 -9.597 -6.810 8.698 1.00 21.12 H new ATOM 0 HG LEU A 23 -7.284 -6.851 6.736 1.00 44.10 H new ATOM 0 HD11 LEU A 23 -8.214 -4.639 6.064 1.00 13.32 H new ATOM 0 HD12 LEU A 23 -9.410 -5.941 5.859 1.00 13.32 H new ATOM 0 HD13 LEU A 23 -9.524 -4.840 7.252 1.00 13.32 H new ATOM 0 HD21 LEU A 23 -6.507 -4.769 7.835 1.00 2.44 H new ATOM 0 HD22 LEU A 23 -7.767 -4.963 9.077 1.00 2.44 H new ATOM 0 HD23 LEU A 23 -6.455 -6.158 8.946 1.00 2.44 H new ATOM 371 N GLN A 24 -10.120 -8.728 10.339 1.00 64.21 N ATOM 372 CA GLN A 24 -11.130 -9.557 10.961 1.00 22.43 C ATOM 373 C GLN A 24 -12.344 -9.662 10.050 1.00 3.31 C ATOM 374 O GLN A 24 -12.414 -9.048 8.982 1.00 62.12 O ATOM 375 CB GLN A 24 -11.449 -9.027 12.374 1.00 65.30 C ATOM 376 CG GLN A 24 -10.255 -9.202 13.333 1.00 32.23 C ATOM 377 CD GLN A 24 -9.732 -10.640 13.398 1.00 21.34 C ATOM 378 OE1 GLN A 24 -8.527 -10.882 13.296 1.00 12.41 O ATOM 379 NE2 GLN A 24 -10.616 -11.620 13.509 1.00 3.23 N ATOM 0 H GLN A 24 -10.363 -7.738 10.302 1.00 64.21 H new ATOM 0 HA GLN A 24 -10.762 -10.574 11.096 1.00 22.43 H new ATOM 0 HB2 GLN A 24 -11.716 -7.972 12.315 1.00 65.30 H new ATOM 0 HB3 GLN A 24 -12.316 -9.554 12.773 1.00 65.30 H new ATOM 0 HG2 GLN A 24 -9.446 -8.543 13.018 1.00 32.23 H new ATOM 0 HG3 GLN A 24 -10.552 -8.886 14.333 1.00 32.23 H new ATOM 0 HE21 GLN A 24 -11.609 -11.404 13.593 1.00 3.23 H new ATOM 0 HE22 GLN A 24 -10.303 -12.591 13.511 1.00 3.23 H new ATOM 388 N ASP A 25 -13.283 -10.475 10.512 1.00 22.21 N ATOM 389 CA ASP A 25 -14.531 -10.902 9.919 1.00 42.13 C ATOM 390 C ASP A 25 -14.126 -11.770 8.736 1.00 24.32 C ATOM 391 O ASP A 25 -13.843 -12.951 8.941 1.00 72.43 O ATOM 392 CB ASP A 25 -15.507 -9.737 9.630 1.00 4.15 C ATOM 393 CG ASP A 25 -15.855 -8.853 10.844 1.00 61.13 C ATOM 394 OD1 ASP A 25 -15.183 -8.948 11.904 1.00 35.04 O ATOM 395 OD2 ASP A 25 -16.780 -8.017 10.741 1.00 33.24 O ATOM 0 H ASP A 25 -13.166 -10.902 11.431 1.00 22.21 H new ATOM 0 HA ASP A 25 -15.144 -11.491 10.601 1.00 42.13 H new ATOM 0 HB2 ASP A 25 -15.074 -9.106 8.854 1.00 4.15 H new ATOM 0 HB3 ASP A 25 -16.431 -10.151 9.226 1.00 4.15 H new ATOM 400 N ASP A 26 -13.872 -11.160 7.581 1.00 14.33 N ATOM 401 CA ASP A 26 -13.086 -11.679 6.448 1.00 52.12 C ATOM 402 C ASP A 26 -12.842 -10.539 5.444 1.00 23.01 C ATOM 403 O ASP A 26 -13.145 -10.627 4.250 1.00 13.33 O ATOM 404 CB ASP A 26 -13.764 -12.881 5.775 1.00 31.01 C ATOM 405 CG ASP A 26 -12.894 -13.498 4.679 1.00 34.31 C ATOM 406 OD1 ASP A 26 -11.684 -13.761 4.868 1.00 54.24 O ATOM 407 OD2 ASP A 26 -13.456 -13.812 3.610 1.00 32.04 O ATOM 0 H ASP A 26 -14.232 -10.225 7.392 1.00 14.33 H new ATOM 0 HA ASP A 26 -12.130 -12.042 6.825 1.00 52.12 H new ATOM 0 HB2 ASP A 26 -13.988 -13.637 6.527 1.00 31.01 H new ATOM 0 HB3 ASP A 26 -14.715 -12.566 5.347 1.00 31.01 H new ATOM 412 N PHE A 27 -12.371 -9.398 5.950 1.00 12.24 N ATOM 413 CA PHE A 27 -12.045 -8.239 5.135 1.00 62.33 C ATOM 414 C PHE A 27 -10.696 -8.462 4.443 1.00 63.20 C ATOM 415 O PHE A 27 -9.647 -8.410 5.083 1.00 42.13 O ATOM 416 CB PHE A 27 -12.038 -6.973 5.999 1.00 53.30 C ATOM 417 CG PHE A 27 -13.403 -6.338 6.156 1.00 21.22 C ATOM 418 CD1 PHE A 27 -13.839 -5.419 5.187 1.00 23.24 C ATOM 419 CD2 PHE A 27 -14.239 -6.649 7.245 1.00 44.22 C ATOM 420 CE1 PHE A 27 -15.077 -4.779 5.315 1.00 15.55 C ATOM 421 CE2 PHE A 27 -15.497 -6.030 7.361 1.00 14.35 C ATOM 422 CZ PHE A 27 -15.903 -5.079 6.406 1.00 61.11 C ATOM 0 H PHE A 27 -12.206 -9.257 6.947 1.00 12.24 H new ATOM 0 HA PHE A 27 -12.803 -8.105 4.363 1.00 62.33 H new ATOM 0 HB2 PHE A 27 -11.645 -7.219 6.986 1.00 53.30 H new ATOM 0 HB3 PHE A 27 -11.357 -6.246 5.557 1.00 53.30 H new ATOM 0 HD1 PHE A 27 -13.212 -5.204 4.334 1.00 23.24 H new ATOM 0 HD2 PHE A 27 -13.915 -7.361 7.990 1.00 44.22 H new ATOM 0 HE1 PHE A 27 -15.394 -4.058 4.576 1.00 15.55 H new ATOM 0 HE2 PHE A 27 -16.151 -6.284 8.182 1.00 14.35 H new ATOM 0 HZ PHE A 27 -16.854 -4.579 6.515 1.00 61.11 H new ATOM 432 N VAL A 28 -10.703 -8.683 3.130 1.00 73.10 N ATOM 433 CA VAL A 28 -9.484 -8.722 2.321 1.00 74.20 C ATOM 434 C VAL A 28 -9.296 -7.361 1.639 1.00 62.13 C ATOM 435 O VAL A 28 -10.268 -6.634 1.400 1.00 31.33 O ATOM 436 CB VAL A 28 -9.534 -9.923 1.350 1.00 74.20 C ATOM 437 CG1 VAL A 28 -8.275 -10.038 0.473 1.00 2.15 C ATOM 438 CG2 VAL A 28 -9.657 -11.226 2.156 1.00 13.24 C ATOM 0 H VAL A 28 -11.557 -8.841 2.594 1.00 73.10 H new ATOM 0 HA VAL A 28 -8.601 -8.884 2.939 1.00 74.20 H new ATOM 0 HB VAL A 28 -10.394 -9.761 0.700 1.00 74.20 H new ATOM 0 HG11 VAL A 28 -8.369 -10.900 -0.188 1.00 2.15 H new ATOM 0 HG12 VAL A 28 -8.164 -9.133 -0.125 1.00 2.15 H new ATOM 0 HG13 VAL A 28 -7.399 -10.163 1.109 1.00 2.15 H new ATOM 0 HG21 VAL A 28 -9.692 -12.075 1.473 1.00 13.24 H new ATOM 0 HG22 VAL A 28 -8.796 -11.328 2.817 1.00 13.24 H new ATOM 0 HG23 VAL A 28 -10.570 -11.201 2.751 1.00 13.24 H new ATOM 448 N THR A 29 -8.034 -7.041 1.331 1.00 31.14 N ATOM 449 CA THR A 29 -7.579 -5.815 0.698 1.00 73.22 C ATOM 450 C THR A 29 -6.357 -6.160 -0.168 1.00 35.12 C ATOM 451 O THR A 29 -5.394 -6.754 0.334 1.00 62.12 O ATOM 452 CB THR A 29 -7.157 -4.802 1.780 1.00 51.20 C ATOM 453 OG1 THR A 29 -8.103 -4.666 2.818 1.00 53.52 O ATOM 454 CG2 THR A 29 -6.884 -3.426 1.168 1.00 71.12 C ATOM 0 H THR A 29 -7.262 -7.676 1.533 1.00 31.14 H new ATOM 0 HA THR A 29 -8.375 -5.382 0.093 1.00 73.22 H new ATOM 0 HB THR A 29 -6.243 -5.205 2.217 1.00 51.20 H new ATOM 0 HG1 THR A 29 -7.779 -4.013 3.473 1.00 53.52 H new ATOM 0 HG21 THR A 29 -6.588 -2.731 1.954 1.00 71.12 H new ATOM 0 HG22 THR A 29 -6.082 -3.507 0.434 1.00 71.12 H new ATOM 0 HG23 THR A 29 -7.787 -3.059 0.680 1.00 71.12 H new ATOM 462 N CYS A 30 -6.342 -5.732 -1.432 1.00 64.01 N ATOM 463 CA CYS A 30 -5.121 -5.545 -2.207 1.00 42.12 C ATOM 464 C CYS A 30 -4.791 -4.056 -2.231 1.00 20.22 C ATOM 465 O CYS A 30 -5.704 -3.238 -2.144 1.00 55.31 O ATOM 466 CB CYS A 30 -5.286 -6.063 -3.645 1.00 20.01 C ATOM 467 SG CYS A 30 -6.826 -5.492 -4.438 1.00 4.33 S ATOM 0 H CYS A 30 -7.191 -5.503 -1.950 1.00 64.01 H new ATOM 0 HA CYS A 30 -4.314 -6.111 -1.742 1.00 42.12 H new ATOM 0 HB2 CYS A 30 -4.434 -5.737 -4.242 1.00 20.01 H new ATOM 0 HB3 CYS A 30 -5.271 -7.153 -3.636 1.00 20.01 H new ATOM 0 HG CYS A 30 -7.835 -5.740 -3.656 1.00 4.33 H new ATOM 473 N TYR A 31 -3.511 -3.721 -2.389 1.00 33.33 N ATOM 474 CA TYR A 31 -2.998 -2.434 -2.828 1.00 3.13 C ATOM 475 C TYR A 31 -2.304 -2.695 -4.167 1.00 74.02 C ATOM 476 O TYR A 31 -1.260 -3.358 -4.199 1.00 0.14 O ATOM 477 CB TYR A 31 -1.953 -1.875 -1.841 1.00 33.13 C ATOM 478 CG TYR A 31 -2.414 -1.240 -0.542 1.00 1.32 C ATOM 479 CD1 TYR A 31 -3.763 -1.251 -0.146 1.00 43.24 C ATOM 480 CD2 TYR A 31 -1.467 -0.561 0.251 1.00 32.24 C ATOM 481 CE1 TYR A 31 -4.165 -0.618 1.042 1.00 73.00 C ATOM 482 CE2 TYR A 31 -1.866 0.102 1.426 1.00 60.11 C ATOM 483 CZ TYR A 31 -3.214 0.046 1.843 1.00 15.54 C ATOM 484 OH TYR A 31 -3.580 0.580 3.037 1.00 2.12 O ATOM 0 H TYR A 31 -2.762 -4.387 -2.201 1.00 33.33 H new ATOM 0 HA TYR A 31 -3.810 -1.710 -2.898 1.00 3.13 H new ATOM 0 HB2 TYR A 31 -1.278 -2.691 -1.584 1.00 33.13 H new ATOM 0 HB3 TYR A 31 -1.364 -1.131 -2.377 1.00 33.13 H new ATOM 0 HD1 TYR A 31 -4.497 -1.751 -0.761 1.00 43.24 H new ATOM 0 HD2 TYR A 31 -0.428 -0.550 -0.045 1.00 32.24 H new ATOM 0 HE1 TYR A 31 -5.202 -0.640 1.341 1.00 73.00 H new ATOM 0 HE2 TYR A 31 -1.142 0.653 2.008 1.00 60.11 H new ATOM 0 HH TYR A 31 -4.238 1.291 2.889 1.00 2.12 H new ATOM 494 N THR A 32 -2.844 -2.176 -5.266 1.00 12.51 N ATOM 495 CA THR A 32 -2.278 -2.403 -6.591 1.00 13.53 C ATOM 496 C THR A 32 -1.938 -1.043 -7.200 1.00 0.51 C ATOM 497 O THR A 32 -2.779 -0.389 -7.817 1.00 22.05 O ATOM 498 CB THR A 32 -3.197 -3.314 -7.430 1.00 63.42 C ATOM 499 OG1 THR A 32 -3.609 -4.434 -6.664 1.00 0.35 O ATOM 500 CG2 THR A 32 -2.440 -3.811 -8.662 1.00 55.14 C ATOM 0 H THR A 32 -3.680 -1.591 -5.264 1.00 12.51 H new ATOM 0 HA THR A 32 -1.343 -2.961 -6.549 1.00 13.53 H new ATOM 0 HB THR A 32 -4.073 -2.741 -7.735 1.00 63.42 H new ATOM 0 HG1 THR A 32 -4.193 -5.004 -7.206 1.00 0.35 H new ATOM 0 HG21 THR A 32 -3.091 -4.455 -9.254 1.00 55.14 H new ATOM 0 HG22 THR A 32 -2.127 -2.959 -9.265 1.00 55.14 H new ATOM 0 HG23 THR A 32 -1.562 -4.374 -8.347 1.00 55.14 H new ATOM 508 N PHE A 33 -0.711 -0.564 -6.959 1.00 55.33 N ATOM 509 CA PHE A 33 -0.231 0.707 -7.504 1.00 73.02 C ATOM 510 C PHE A 33 -0.033 0.566 -9.019 1.00 71.20 C ATOM 511 O PHE A 33 -0.056 -0.537 -9.573 1.00 71.14 O ATOM 512 CB PHE A 33 1.064 1.170 -6.802 1.00 64.33 C ATOM 513 CG PHE A 33 0.948 1.373 -5.304 1.00 75.30 C ATOM 514 CD1 PHE A 33 0.943 0.282 -4.413 1.00 4.41 C ATOM 515 CD2 PHE A 33 0.845 2.681 -4.796 1.00 62.01 C ATOM 516 CE1 PHE A 33 0.747 0.511 -3.040 1.00 51.23 C ATOM 517 CE2 PHE A 33 0.711 2.906 -3.419 1.00 75.02 C ATOM 518 CZ PHE A 33 0.630 1.817 -2.543 1.00 64.40 C ATOM 0 H PHE A 33 -0.025 -1.049 -6.380 1.00 55.33 H new ATOM 0 HA PHE A 33 -0.978 1.478 -7.317 1.00 73.02 H new ATOM 0 HB2 PHE A 33 1.845 0.434 -6.994 1.00 64.33 H new ATOM 0 HB3 PHE A 33 1.390 2.106 -7.255 1.00 64.33 H new ATOM 0 HD1 PHE A 33 1.089 -0.723 -4.782 1.00 4.41 H new ATOM 0 HD2 PHE A 33 0.869 3.521 -5.474 1.00 62.01 H new ATOM 0 HE1 PHE A 33 0.686 -0.327 -2.361 1.00 51.23 H new ATOM 0 HE2 PHE A 33 0.670 3.915 -3.036 1.00 75.02 H new ATOM 0 HZ PHE A 33 0.478 1.982 -1.487 1.00 64.40 H new ATOM 528 N ASN A 34 0.191 1.675 -9.717 1.00 60.24 N ATOM 529 CA ASN A 34 0.638 1.699 -11.113 1.00 4.12 C ATOM 530 C ASN A 34 1.920 2.527 -11.158 1.00 55.54 C ATOM 531 O ASN A 34 2.356 3.043 -10.128 1.00 24.41 O ATOM 532 CB ASN A 34 -0.416 2.316 -12.056 1.00 74.33 C ATOM 533 CG ASN A 34 -1.815 1.707 -12.040 1.00 24.41 C ATOM 534 OD1 ASN A 34 -2.735 2.322 -12.569 1.00 34.35 O ATOM 535 ND2 ASN A 34 -2.026 0.527 -11.482 1.00 13.43 N ATOM 0 H ASN A 34 0.065 2.607 -9.321 1.00 60.24 H new ATOM 0 HA ASN A 34 0.802 0.678 -11.457 1.00 4.12 H new ATOM 0 HB2 ASN A 34 -0.507 3.375 -11.813 1.00 74.33 H new ATOM 0 HB3 ASN A 34 -0.034 2.254 -13.075 1.00 74.33 H new ATOM 0 HD21 ASN A 34 -2.961 0.120 -11.489 1.00 13.43 H new ATOM 0 HD22 ASN A 34 -1.254 0.024 -11.045 1.00 13.43 H new ATOM 542 N ALA A 35 2.510 2.703 -12.343 1.00 21.22 N ATOM 543 CA ALA A 35 3.669 3.571 -12.513 1.00 53.23 C ATOM 544 C ALA A 35 3.358 5.004 -12.077 1.00 1.54 C ATOM 545 O ALA A 35 4.139 5.621 -11.354 1.00 62.13 O ATOM 546 CB ALA A 35 4.126 3.530 -13.968 1.00 40.13 C ATOM 0 H ALA A 35 2.198 2.250 -13.202 1.00 21.22 H new ATOM 0 HA ALA A 35 4.475 3.208 -11.876 1.00 53.23 H new ATOM 0 HB1 ALA A 35 4.993 4.179 -14.096 1.00 40.13 H new ATOM 0 HB2 ALA A 35 4.395 2.508 -14.236 1.00 40.13 H new ATOM 0 HB3 ALA A 35 3.317 3.874 -14.613 1.00 40.13 H new ATOM 552 N ASP A 36 2.211 5.525 -12.510 1.00 32.04 N ATOM 553 CA ASP A 36 1.718 6.868 -12.181 1.00 12.52 C ATOM 554 C ASP A 36 0.193 6.970 -12.320 1.00 71.00 C ATOM 555 O ASP A 36 -0.435 7.768 -11.620 1.00 62.13 O ATOM 556 CB ASP A 36 2.372 7.928 -13.087 1.00 32.24 C ATOM 557 CG ASP A 36 1.867 7.865 -14.525 1.00 71.04 C ATOM 558 OD1 ASP A 36 2.356 6.999 -15.290 1.00 75.02 O ATOM 559 OD2 ASP A 36 0.933 8.616 -14.890 1.00 1.44 O ATOM 0 H ASP A 36 1.576 5.010 -13.120 1.00 32.04 H new ATOM 0 HA ASP A 36 1.987 7.053 -11.141 1.00 12.52 H new ATOM 0 HB2 ASP A 36 2.175 8.920 -12.680 1.00 32.24 H new ATOM 0 HB3 ASP A 36 3.453 7.790 -13.079 1.00 32.24 H new ATOM 564 N LYS A 37 -0.411 6.140 -13.184 1.00 43.14 N ATOM 565 CA LYS A 37 -1.757 6.334 -13.724 1.00 71.13 C ATOM 566 C LYS A 37 -2.835 6.377 -12.636 1.00 62.33 C ATOM 567 O LYS A 37 -3.691 7.261 -12.668 1.00 1.34 O ATOM 568 CB LYS A 37 -2.008 5.246 -14.793 1.00 35.04 C ATOM 569 CG LYS A 37 -3.383 5.258 -15.481 1.00 22.14 C ATOM 570 CD LYS A 37 -3.833 6.578 -16.132 1.00 64.13 C ATOM 571 CE LYS A 37 -3.089 6.815 -17.451 1.00 73.10 C ATOM 572 NZ LYS A 37 -3.495 8.075 -18.106 1.00 34.13 N ATOM 0 H LYS A 37 0.039 5.294 -13.533 1.00 43.14 H new ATOM 0 HA LYS A 37 -1.823 7.315 -14.194 1.00 71.13 H new ATOM 0 HB2 LYS A 37 -1.242 5.342 -15.562 1.00 35.04 H new ATOM 0 HB3 LYS A 37 -1.870 4.271 -14.325 1.00 35.04 H new ATOM 0 HG2 LYS A 37 -3.383 4.485 -16.250 1.00 22.14 H new ATOM 0 HG3 LYS A 37 -4.133 4.973 -14.743 1.00 22.14 H new ATOM 0 HD2 LYS A 37 -4.907 6.551 -16.315 1.00 64.13 H new ATOM 0 HD3 LYS A 37 -3.647 7.407 -15.450 1.00 64.13 H new ATOM 0 HE2 LYS A 37 -2.016 6.836 -17.261 1.00 73.10 H new ATOM 0 HE3 LYS A 37 -3.277 5.980 -18.126 1.00 73.10 H new ATOM 0 HZ1 LYS A 37 -2.965 8.191 -18.993 1.00 34.13 H new ATOM 0 HZ2 LYS A 37 -4.514 8.046 -18.312 1.00 34.13 H new ATOM 0 HZ3 LYS A 37 -3.292 8.876 -17.474 1.00 34.13 H new ATOM 586 N THR A 38 -2.828 5.418 -11.710 1.00 64.34 N ATOM 587 CA THR A 38 -3.719 5.357 -10.554 1.00 3.24 C ATOM 588 C THR A 38 -3.108 4.379 -9.526 1.00 72.00 C ATOM 589 O THR A 38 -1.957 3.954 -9.692 1.00 40.24 O ATOM 590 CB THR A 38 -5.205 5.149 -10.998 1.00 15.43 C ATOM 591 OG1 THR A 38 -6.076 4.486 -10.106 1.00 35.15 O ATOM 592 CG2 THR A 38 -5.471 4.521 -12.366 1.00 21.44 C ATOM 0 H THR A 38 -2.177 4.634 -11.747 1.00 64.34 H new ATOM 0 HA THR A 38 -3.792 6.304 -10.019 1.00 3.24 H new ATOM 0 HB THR A 38 -5.431 6.215 -11.027 1.00 15.43 H new ATOM 0 HG1 THR A 38 -6.158 5.008 -9.280 1.00 35.15 H new ATOM 0 HG21 THR A 38 -6.546 4.444 -12.528 1.00 21.44 H new ATOM 0 HG22 THR A 38 -5.031 5.144 -13.144 1.00 21.44 H new ATOM 0 HG23 THR A 38 -5.026 3.527 -12.403 1.00 21.44 H new ATOM 600 N TYR A 39 -3.818 4.078 -8.438 1.00 71.11 N ATOM 601 CA TYR A 39 -3.617 2.931 -7.556 1.00 55.23 C ATOM 602 C TYR A 39 -4.992 2.294 -7.323 1.00 32.04 C ATOM 603 O TYR A 39 -6.013 2.948 -7.539 1.00 23.15 O ATOM 604 CB TYR A 39 -2.955 3.341 -6.222 1.00 12.54 C ATOM 605 CG TYR A 39 -3.915 3.858 -5.155 1.00 34.04 C ATOM 606 CD1 TYR A 39 -4.474 5.144 -5.246 1.00 24.24 C ATOM 607 CD2 TYR A 39 -4.260 3.053 -4.055 1.00 15.52 C ATOM 608 CE1 TYR A 39 -5.392 5.609 -4.281 1.00 20.05 C ATOM 609 CE2 TYR A 39 -5.160 3.522 -3.082 1.00 23.03 C ATOM 610 CZ TYR A 39 -5.761 4.792 -3.192 1.00 12.34 C ATOM 611 OH TYR A 39 -6.650 5.206 -2.238 1.00 42.12 O ATOM 0 H TYR A 39 -4.595 4.664 -8.132 1.00 71.11 H new ATOM 0 HA TYR A 39 -2.936 2.217 -8.019 1.00 55.23 H new ATOM 0 HB2 TYR A 39 -2.419 2.481 -5.821 1.00 12.54 H new ATOM 0 HB3 TYR A 39 -2.212 4.113 -6.425 1.00 12.54 H new ATOM 0 HD1 TYR A 39 -4.196 5.787 -6.068 1.00 24.24 H new ATOM 0 HD2 TYR A 39 -3.830 2.067 -3.957 1.00 15.52 H new ATOM 0 HE1 TYR A 39 -5.815 6.598 -4.377 1.00 20.05 H new ATOM 0 HE2 TYR A 39 -5.395 2.897 -2.234 1.00 23.03 H new ATOM 0 HH TYR A 39 -7.042 6.063 -2.506 1.00 42.12 H new ATOM 621 N GLU A 40 -5.033 1.051 -6.852 1.00 34.32 N ATOM 622 CA GLU A 40 -6.250 0.369 -6.432 1.00 15.43 C ATOM 623 C GLU A 40 -6.144 0.048 -4.948 1.00 74.41 C ATOM 624 O GLU A 40 -5.061 -0.291 -4.466 1.00 40.11 O ATOM 625 CB GLU A 40 -6.442 -0.967 -7.171 1.00 14.41 C ATOM 626 CG GLU A 40 -6.545 -0.848 -8.693 1.00 63.43 C ATOM 627 CD GLU A 40 -6.524 -2.194 -9.428 1.00 12.13 C ATOM 628 OE1 GLU A 40 -6.745 -3.264 -8.824 1.00 21.21 O ATOM 629 OE2 GLU A 40 -6.276 -2.180 -10.658 1.00 55.11 O ATOM 0 H GLU A 40 -4.197 0.476 -6.750 1.00 34.32 H new ATOM 0 HA GLU A 40 -7.090 1.027 -6.654 1.00 15.43 H new ATOM 0 HB2 GLU A 40 -5.607 -1.624 -6.927 1.00 14.41 H new ATOM 0 HB3 GLU A 40 -7.346 -1.447 -6.796 1.00 14.41 H new ATOM 0 HG2 GLU A 40 -7.467 -0.323 -8.944 1.00 63.43 H new ATOM 0 HG3 GLU A 40 -5.720 -0.235 -9.056 1.00 63.43 H new ATOM 636 N VAL A 41 -7.294 0.049 -4.279 1.00 41.10 N ATOM 637 CA VAL A 41 -7.545 -0.522 -2.964 1.00 13.23 C ATOM 638 C VAL A 41 -9.001 -1.019 -2.983 1.00 51.21 C ATOM 639 O VAL A 41 -9.718 -0.762 -3.949 1.00 54.42 O ATOM 640 CB VAL A 41 -7.198 0.517 -1.868 1.00 63.11 C ATOM 641 CG1 VAL A 41 -7.957 1.840 -2.030 1.00 60.14 C ATOM 642 CG2 VAL A 41 -7.398 0.001 -0.437 1.00 15.32 C ATOM 0 H VAL A 41 -8.132 0.479 -4.671 1.00 41.10 H new ATOM 0 HA VAL A 41 -6.911 -1.375 -2.723 1.00 13.23 H new ATOM 0 HB VAL A 41 -6.134 0.698 -2.018 1.00 63.11 H new ATOM 0 HG11 VAL A 41 -7.670 2.524 -1.232 1.00 60.14 H new ATOM 0 HG12 VAL A 41 -7.712 2.284 -2.995 1.00 60.14 H new ATOM 0 HG13 VAL A 41 -9.030 1.653 -1.979 1.00 60.14 H new ATOM 0 HG21 VAL A 41 -7.134 0.785 0.273 1.00 15.32 H new ATOM 0 HG22 VAL A 41 -8.441 -0.282 -0.295 1.00 15.32 H new ATOM 0 HG23 VAL A 41 -6.761 -0.868 -0.271 1.00 15.32 H new ATOM 652 N TYR A 42 -9.460 -1.751 -1.972 1.00 23.33 N ATOM 653 CA TYR A 42 -10.878 -1.992 -1.695 1.00 60.23 C ATOM 654 C TYR A 42 -10.997 -2.424 -0.230 1.00 34.44 C ATOM 655 O TYR A 42 -10.005 -2.394 0.497 1.00 11.45 O ATOM 656 CB TYR A 42 -11.497 -3.015 -2.682 1.00 32.15 C ATOM 657 CG TYR A 42 -11.183 -4.491 -2.483 1.00 34.25 C ATOM 658 CD1 TYR A 42 -9.852 -4.948 -2.486 1.00 62.01 C ATOM 659 CD2 TYR A 42 -12.235 -5.427 -2.368 1.00 11.54 C ATOM 660 CE1 TYR A 42 -9.575 -6.310 -2.279 1.00 61.24 C ATOM 661 CE2 TYR A 42 -11.956 -6.798 -2.211 1.00 41.42 C ATOM 662 CZ TYR A 42 -10.619 -7.236 -2.100 1.00 64.41 C ATOM 663 OH TYR A 42 -10.298 -8.530 -1.829 1.00 3.33 O ATOM 0 H TYR A 42 -8.840 -2.207 -1.302 1.00 23.33 H new ATOM 0 HA TYR A 42 -11.454 -1.080 -1.848 1.00 60.23 H new ATOM 0 HB2 TYR A 42 -12.580 -2.898 -2.646 1.00 32.15 H new ATOM 0 HB3 TYR A 42 -11.180 -2.740 -3.688 1.00 32.15 H new ATOM 0 HD1 TYR A 42 -9.043 -4.251 -2.648 1.00 62.01 H new ATOM 0 HD2 TYR A 42 -13.260 -5.089 -2.401 1.00 11.54 H new ATOM 0 HE1 TYR A 42 -8.550 -6.650 -2.257 1.00 61.24 H new ATOM 0 HE2 TYR A 42 -12.764 -7.514 -2.176 1.00 41.42 H new ATOM 0 HH TYR A 42 -11.118 -9.056 -1.729 1.00 3.33 H new ATOM 673 N THR A 43 -12.172 -2.854 0.214 1.00 34.01 N ATOM 674 CA THR A 43 -12.304 -3.747 1.351 1.00 14.22 C ATOM 675 C THR A 43 -13.565 -4.585 1.118 1.00 64.24 C ATOM 676 O THR A 43 -14.486 -4.111 0.447 1.00 32.25 O ATOM 677 CB THR A 43 -12.413 -2.962 2.679 1.00 42.32 C ATOM 678 OG1 THR A 43 -12.407 -1.550 2.553 1.00 73.40 O ATOM 679 CG2 THR A 43 -11.286 -3.364 3.634 1.00 21.34 C ATOM 0 H THR A 43 -13.062 -2.590 -0.209 1.00 34.01 H new ATOM 0 HA THR A 43 -11.421 -4.380 1.435 1.00 14.22 H new ATOM 0 HB THR A 43 -13.393 -3.235 3.070 1.00 42.32 H new ATOM 0 HG1 THR A 43 -12.481 -1.142 3.441 1.00 73.40 H new ATOM 0 HG21 THR A 43 -11.379 -2.802 4.563 1.00 21.34 H new ATOM 0 HG22 THR A 43 -11.353 -4.431 3.847 1.00 21.34 H new ATOM 0 HG23 THR A 43 -10.323 -3.146 3.172 1.00 21.34 H new ATOM 687 N GLY A 44 -13.634 -5.788 1.699 1.00 3.45 N ATOM 688 CA GLY A 44 -14.858 -6.559 1.937 1.00 20.34 C ATOM 689 C GLY A 44 -15.810 -6.590 0.748 1.00 21.43 C ATOM 690 O GLY A 44 -16.759 -5.810 0.660 1.00 1.55 O ATOM 0 H GLY A 44 -12.800 -6.272 2.031 1.00 3.45 H new ATOM 0 HA2 GLY A 44 -14.586 -7.582 2.199 1.00 20.34 H new ATOM 0 HA3 GLY A 44 -15.380 -6.138 2.796 1.00 20.34 H new ATOM 786 N PRO A 52 -12.409 -2.729 -7.781 1.00 40.24 N ATOM 787 CA PRO A 52 -11.738 -1.993 -6.721 1.00 60.44 C ATOM 788 C PRO A 52 -11.759 -0.482 -6.982 1.00 54.53 C ATOM 789 O PRO A 52 -12.139 -0.007 -8.060 1.00 54.13 O ATOM 790 CB PRO A 52 -10.317 -2.567 -6.682 1.00 20.43 C ATOM 791 CG PRO A 52 -10.057 -2.989 -8.127 1.00 41.52 C ATOM 792 CD PRO A 52 -11.439 -3.389 -8.643 1.00 73.20 C ATOM 0 HA PRO A 52 -12.236 -2.109 -5.758 1.00 60.44 H new ATOM 0 HB2 PRO A 52 -9.594 -1.824 -6.346 1.00 20.43 H new ATOM 0 HB3 PRO A 52 -10.246 -3.413 -5.999 1.00 20.43 H new ATOM 0 HG2 PRO A 52 -9.632 -2.173 -8.712 1.00 41.52 H new ATOM 0 HG3 PRO A 52 -9.354 -3.820 -8.181 1.00 41.52 H new ATOM 0 HD2 PRO A 52 -11.570 -3.082 -9.681 1.00 73.20 H new ATOM 0 HD3 PRO A 52 -11.566 -4.471 -8.613 1.00 73.20 H new ATOM 800 N PHE A 53 -11.326 0.264 -5.969 1.00 74.31 N ATOM 801 CA PHE A 53 -11.135 1.700 -5.962 1.00 52.22 C ATOM 802 C PHE A 53 -10.099 2.121 -7.004 1.00 14.52 C ATOM 803 O PHE A 53 -9.344 1.309 -7.539 1.00 63.14 O ATOM 804 CB PHE A 53 -10.696 2.124 -4.550 1.00 71.31 C ATOM 805 CG PHE A 53 -10.679 3.618 -4.330 1.00 13.52 C ATOM 806 CD1 PHE A 53 -11.873 4.302 -4.043 1.00 12.21 C ATOM 807 CD2 PHE A 53 -9.478 4.339 -4.458 1.00 3.55 C ATOM 808 CE1 PHE A 53 -11.882 5.695 -3.921 1.00 73.21 C ATOM 809 CE2 PHE A 53 -9.492 5.735 -4.366 1.00 44.50 C ATOM 810 CZ PHE A 53 -10.696 6.409 -4.124 1.00 1.54 C ATOM 0 H PHE A 53 -11.084 -0.155 -5.071 1.00 74.31 H new ATOM 0 HA PHE A 53 -12.070 2.195 -6.222 1.00 52.22 H new ATOM 0 HB2 PHE A 53 -11.366 1.668 -3.821 1.00 71.31 H new ATOM 0 HB3 PHE A 53 -9.699 1.728 -4.357 1.00 71.31 H new ATOM 0 HD1 PHE A 53 -12.791 3.747 -3.916 1.00 12.21 H new ATOM 0 HD2 PHE A 53 -8.548 3.817 -4.627 1.00 3.55 H new ATOM 0 HE1 PHE A 53 -12.796 6.215 -3.672 1.00 73.21 H new ATOM 0 HE2 PHE A 53 -8.575 6.293 -4.482 1.00 44.50 H new ATOM 0 HZ PHE A 53 -10.709 7.489 -4.094 1.00 1.54 H new ATOM 820 N ARG A 54 -10.059 3.423 -7.282 1.00 24.15 N ATOM 821 CA ARG A 54 -9.077 4.067 -8.132 1.00 21.25 C ATOM 822 C ARG A 54 -8.887 5.498 -7.644 1.00 74.32 C ATOM 823 O ARG A 54 -9.881 6.205 -7.455 1.00 40.11 O ATOM 824 CB ARG A 54 -9.440 3.959 -9.622 1.00 55.20 C ATOM 825 CG ARG A 54 -10.863 4.330 -10.057 1.00 63.11 C ATOM 826 CD ARG A 54 -11.779 3.153 -9.746 1.00 22.01 C ATOM 827 NE ARG A 54 -12.965 3.117 -10.597 1.00 35.31 N ATOM 828 CZ ARG A 54 -14.219 3.433 -10.279 1.00 2.34 C ATOM 829 NH1 ARG A 54 -14.517 4.012 -9.119 1.00 0.12 N ATOM 830 NH2 ARG A 54 -15.172 3.153 -11.153 1.00 63.13 N ATOM 0 H ARG A 54 -10.741 4.079 -6.902 1.00 24.15 H new ATOM 0 HA ARG A 54 -8.120 3.552 -8.056 1.00 21.25 H new ATOM 0 HB2 ARG A 54 -8.748 4.591 -10.178 1.00 55.20 H new ATOM 0 HB3 ARG A 54 -9.255 2.931 -9.935 1.00 55.20 H new ATOM 0 HG2 ARG A 54 -11.200 5.223 -9.531 1.00 63.11 H new ATOM 0 HG3 ARG A 54 -10.887 4.559 -11.122 1.00 63.11 H new ATOM 0 HD2 ARG A 54 -11.222 2.224 -9.867 1.00 22.01 H new ATOM 0 HD3 ARG A 54 -12.088 3.205 -8.702 1.00 22.01 H new ATOM 0 HE ARG A 54 -12.814 2.811 -11.558 1.00 35.31 H new ATOM 0 HH11 ARG A 54 -13.777 4.224 -8.450 1.00 0.12 H new ATOM 0 HH12 ARG A 54 -15.486 4.244 -8.899 1.00 0.12 H new ATOM 0 HH21 ARG A 54 -14.936 2.708 -12.040 1.00 63.13 H new ATOM 0 HH22 ARG A 54 -16.143 3.382 -10.940 1.00 63.13 H new ATOM 844 N GLY A 55 -7.637 5.882 -7.412 1.00 22.21 N ATOM 845 CA GLY A 55 -7.169 7.204 -6.996 1.00 3.31 C ATOM 846 C GLY A 55 -5.720 7.356 -7.463 1.00 55.42 C ATOM 847 O GLY A 55 -5.322 6.642 -8.375 1.00 64.31 O ATOM 0 H GLY A 55 -6.862 5.227 -7.517 1.00 22.21 H new ATOM 0 HA2 GLY A 55 -7.794 7.984 -7.430 1.00 3.31 H new ATOM 0 HA3 GLY A 55 -7.234 7.309 -5.913 1.00 3.31 H new ATOM 851 N THR A 56 -4.901 8.229 -6.881 1.00 15.42 N ATOM 852 CA THR A 56 -3.520 8.438 -7.330 1.00 53.41 C ATOM 853 C THR A 56 -2.550 8.551 -6.141 1.00 64.13 C ATOM 854 O THR A 56 -2.829 9.254 -5.166 1.00 3.35 O ATOM 855 CB THR A 56 -3.457 9.659 -8.272 1.00 3.15 C ATOM 856 OG1 THR A 56 -4.466 10.613 -7.982 1.00 44.52 O ATOM 857 CG2 THR A 56 -3.664 9.286 -9.744 1.00 64.00 C ATOM 0 H THR A 56 -5.171 8.811 -6.088 1.00 15.42 H new ATOM 0 HA THR A 56 -3.194 7.566 -7.896 1.00 53.41 H new ATOM 0 HB THR A 56 -2.459 10.066 -8.108 1.00 3.15 H new ATOM 0 HG1 THR A 56 -4.388 11.369 -8.600 1.00 44.52 H new ATOM 0 HG21 THR A 56 -3.609 10.185 -10.358 1.00 64.00 H new ATOM 0 HG22 THR A 56 -2.888 8.586 -10.055 1.00 64.00 H new ATOM 0 HG23 THR A 56 -4.642 8.821 -9.867 1.00 64.00 H new ATOM 865 N TYR A 57 -1.401 7.865 -6.204 1.00 12.22 N ATOM 866 CA TYR A 57 -0.411 7.842 -5.121 1.00 22.04 C ATOM 867 C TYR A 57 0.568 9.028 -5.246 1.00 51.40 C ATOM 868 O TYR A 57 0.628 9.665 -6.303 1.00 71.02 O ATOM 869 CB TYR A 57 0.281 6.457 -5.073 1.00 14.42 C ATOM 870 CG TYR A 57 1.424 6.244 -6.049 1.00 55.50 C ATOM 871 CD1 TYR A 57 1.182 5.790 -7.357 1.00 52.20 C ATOM 872 CD2 TYR A 57 2.746 6.475 -5.630 1.00 52.31 C ATOM 873 CE1 TYR A 57 2.243 5.650 -8.272 1.00 51.51 C ATOM 874 CE2 TYR A 57 3.815 6.287 -6.522 1.00 71.01 C ATOM 875 CZ TYR A 57 3.571 5.897 -7.854 1.00 53.23 C ATOM 876 OH TYR A 57 4.632 5.728 -8.694 1.00 53.44 O ATOM 0 H TYR A 57 -1.131 7.307 -7.014 1.00 12.22 H new ATOM 0 HA TYR A 57 -0.907 7.976 -4.160 1.00 22.04 H new ATOM 0 HB2 TYR A 57 0.659 6.298 -4.063 1.00 14.42 H new ATOM 0 HB3 TYR A 57 -0.473 5.691 -5.256 1.00 14.42 H new ATOM 0 HD1 TYR A 57 0.175 5.547 -7.662 1.00 52.20 H new ATOM 0 HD2 TYR A 57 2.941 6.798 -4.618 1.00 52.31 H new ATOM 0 HE1 TYR A 57 2.043 5.354 -9.291 1.00 51.51 H new ATOM 0 HE2 TYR A 57 4.829 6.442 -6.185 1.00 71.01 H new ATOM 0 HH TYR A 57 4.335 5.837 -9.622 1.00 53.44 H new ATOM 886 N ILE A 58 1.308 9.359 -4.175 1.00 11.35 N ATOM 887 CA ILE A 58 2.350 10.403 -4.138 1.00 60.01 C ATOM 888 C ILE A 58 3.444 9.948 -3.166 1.00 62.21 C ATOM 889 O ILE A 58 3.113 9.507 -2.065 1.00 33.34 O ATOM 890 CB ILE A 58 1.783 11.771 -3.664 1.00 13.22 C ATOM 891 CG1 ILE A 58 0.618 12.241 -4.564 1.00 75.31 C ATOM 892 CG2 ILE A 58 2.883 12.851 -3.577 1.00 13.35 C ATOM 893 CD1 ILE A 58 0.136 13.685 -4.385 1.00 11.43 C ATOM 0 H ILE A 58 1.194 8.890 -3.276 1.00 11.35 H new ATOM 0 HA ILE A 58 2.743 10.540 -5.145 1.00 60.01 H new ATOM 0 HB ILE A 58 1.392 11.621 -2.658 1.00 13.22 H new ATOM 0 HG12 ILE A 58 0.920 12.112 -5.603 1.00 75.31 H new ATOM 0 HG13 ILE A 58 -0.230 11.578 -4.394 1.00 75.31 H new ATOM 0 HG21 ILE A 58 2.444 13.791 -3.242 1.00 13.35 H new ATOM 0 HG22 ILE A 58 3.648 12.535 -2.868 1.00 13.35 H new ATOM 0 HG23 ILE A 58 3.334 12.991 -4.559 1.00 13.35 H new ATOM 0 HD11 ILE A 58 -0.683 13.883 -5.076 1.00 11.43 H new ATOM 0 HD12 ILE A 58 -0.210 13.829 -3.361 1.00 11.43 H new ATOM 0 HD13 ILE A 58 0.958 14.371 -4.590 1.00 11.43 H new ATOM 905 N ILE A 59 4.722 10.123 -3.520 1.00 73.03 N ATOM 906 CA ILE A 59 5.901 9.831 -2.700 1.00 60.21 C ATOM 907 C ILE A 59 6.837 11.043 -2.753 1.00 53.13 C ATOM 908 O ILE A 59 7.296 11.426 -3.834 1.00 42.21 O ATOM 909 CB ILE A 59 6.633 8.543 -3.165 1.00 15.44 C ATOM 910 CG1 ILE A 59 5.636 7.402 -3.439 1.00 73.31 C ATOM 911 CG2 ILE A 59 7.688 8.135 -2.117 1.00 31.42 C ATOM 912 CD1 ILE A 59 6.234 6.020 -3.710 1.00 34.51 C ATOM 0 H ILE A 59 4.974 10.492 -4.437 1.00 73.03 H new ATOM 0 HA ILE A 59 5.582 9.646 -1.674 1.00 60.21 H new ATOM 0 HB ILE A 59 7.143 8.750 -4.106 1.00 15.44 H new ATOM 0 HG12 ILE A 59 4.967 7.322 -2.583 1.00 73.31 H new ATOM 0 HG13 ILE A 59 5.024 7.683 -4.296 1.00 73.31 H new ATOM 0 HG21 ILE A 59 8.199 7.231 -2.448 1.00 31.42 H new ATOM 0 HG22 ILE A 59 8.414 8.939 -1.999 1.00 31.42 H new ATOM 0 HG23 ILE A 59 7.198 7.946 -1.162 1.00 31.42 H new ATOM 0 HD11 ILE A 59 5.431 5.305 -3.888 1.00 34.51 H new ATOM 0 HD12 ILE A 59 6.878 6.068 -4.588 1.00 34.51 H new ATOM 0 HD13 ILE A 59 6.819 5.701 -2.848 1.00 34.51 H new ATOM 924 N SER A 60 7.124 11.644 -1.593 1.00 60.24 N ATOM 925 CA SER A 60 8.141 12.685 -1.486 1.00 34.13 C ATOM 926 C SER A 60 9.533 12.121 -1.760 1.00 31.41 C ATOM 927 O SER A 60 9.873 11.043 -1.277 1.00 51.43 O ATOM 928 CB SER A 60 8.121 13.305 -0.086 1.00 35.20 C ATOM 929 OG SER A 60 7.173 14.354 -0.005 1.00 2.43 O ATOM 0 H SER A 60 6.660 11.422 -0.712 1.00 60.24 H new ATOM 0 HA SER A 60 7.914 13.448 -2.231 1.00 34.13 H new ATOM 0 HB2 SER A 60 7.883 12.538 0.651 1.00 35.20 H new ATOM 0 HB3 SER A 60 9.112 13.687 0.160 1.00 35.20 H new ATOM 0 HG SER A 60 7.179 14.731 0.899 1.00 2.43 H new ATOM 935 N LEU A 61 10.376 12.897 -2.444 1.00 31.52 N ATOM 936 CA LEU A 61 11.766 12.535 -2.717 1.00 35.30 C ATOM 937 C LEU A 61 12.552 12.474 -1.409 1.00 22.42 C ATOM 938 O LEU A 61 13.188 11.463 -1.105 1.00 22.30 O ATOM 939 CB LEU A 61 12.423 13.557 -3.666 1.00 4.23 C ATOM 940 CG LEU A 61 12.071 13.464 -5.162 1.00 42.43 C ATOM 941 CD1 LEU A 61 12.559 12.158 -5.798 1.00 32.14 C ATOM 942 CD2 LEU A 61 10.583 13.669 -5.455 1.00 60.31 C ATOM 0 H LEU A 61 10.109 13.804 -2.827 1.00 31.52 H new ATOM 0 HA LEU A 61 11.777 11.557 -3.198 1.00 35.30 H new ATOM 0 HB2 LEU A 61 12.159 14.556 -3.320 1.00 4.23 H new ATOM 0 HB3 LEU A 61 13.504 13.461 -3.568 1.00 4.23 H new ATOM 0 HG LEU A 61 12.607 14.294 -5.623 1.00 42.43 H new ATOM 0 HD11 LEU A 61 12.285 12.143 -6.853 1.00 32.14 H new ATOM 0 HD12 LEU A 61 13.643 12.090 -5.703 1.00 32.14 H new ATOM 0 HD13 LEU A 61 12.096 11.311 -5.291 1.00 32.14 H new ATOM 0 HD21 LEU A 61 10.409 13.590 -6.528 1.00 60.31 H new ATOM 0 HD22 LEU A 61 10.002 12.907 -4.936 1.00 60.31 H new ATOM 0 HD23 LEU A 61 10.277 14.656 -5.110 1.00 60.31 H new ATOM 954 N ASP A 62 12.520 13.574 -0.653 1.00 23.24 N ATOM 955 CA ASP A 62 13.305 13.765 0.564 1.00 63.44 C ATOM 956 C ASP A 62 12.711 12.945 1.693 1.00 72.53 C ATOM 957 O ASP A 62 13.356 12.034 2.207 1.00 4.13 O ATOM 958 CB ASP A 62 13.351 15.249 0.969 1.00 61.53 C ATOM 959 CG ASP A 62 14.660 15.930 0.598 1.00 43.01 C ATOM 960 OD1 ASP A 62 15.299 15.525 -0.395 1.00 63.43 O ATOM 961 OD2 ASP A 62 14.958 16.964 1.237 1.00 11.03 O ATOM 0 H ASP A 62 11.931 14.376 -0.878 1.00 23.24 H new ATOM 0 HA ASP A 62 14.324 13.433 0.366 1.00 63.44 H new ATOM 0 HB2 ASP A 62 12.526 15.776 0.489 1.00 61.53 H new ATOM 0 HB3 ASP A 62 13.199 15.330 2.045 1.00 61.53 H new ATOM 966 N GLU A 63 11.484 13.272 2.096 1.00 42.13 N ATOM 967 CA GLU A 63 10.871 12.686 3.281 1.00 14.22 C ATOM 968 C GLU A 63 10.504 11.213 3.087 1.00 54.21 C ATOM 969 O GLU A 63 10.237 10.539 4.085 1.00 30.31 O ATOM 970 CB GLU A 63 9.623 13.507 3.663 1.00 11.02 C ATOM 971 CG GLU A 63 9.933 14.602 4.691 1.00 4.02 C ATOM 972 CD GLU A 63 11.092 15.497 4.260 1.00 72.55 C ATOM 973 OE1 GLU A 63 10.879 16.365 3.383 1.00 21.54 O ATOM 974 OE2 GLU A 63 12.198 15.296 4.811 1.00 45.41 O ATOM 0 H GLU A 63 10.892 13.947 1.612 1.00 42.13 H new ATOM 0 HA GLU A 63 11.603 12.719 4.088 1.00 14.22 H new ATOM 0 HB2 GLU A 63 9.204 13.963 2.766 1.00 11.02 H new ATOM 0 HB3 GLU A 63 8.862 12.839 4.067 1.00 11.02 H new ATOM 0 HG2 GLU A 63 9.044 15.213 4.845 1.00 4.02 H new ATOM 0 HG3 GLU A 63 10.172 14.140 5.649 1.00 4.02 H new ATOM 981 N LYS A 64 10.449 10.726 1.838 1.00 70.51 N ATOM 982 CA LYS A 64 10.140 9.344 1.428 1.00 4.14 C ATOM 983 C LYS A 64 8.746 8.859 1.866 1.00 23.32 C ATOM 984 O LYS A 64 8.336 7.754 1.530 1.00 52.02 O ATOM 985 CB LYS A 64 11.328 8.430 1.794 1.00 12.04 C ATOM 986 CG LYS A 64 12.593 8.849 1.004 1.00 13.14 C ATOM 987 CD LYS A 64 13.897 8.663 1.786 1.00 64.35 C ATOM 988 CE LYS A 64 15.160 9.109 1.027 1.00 72.43 C ATOM 989 NZ LYS A 64 15.173 10.555 0.719 1.00 23.42 N ATOM 0 H LYS A 64 10.631 11.325 1.033 1.00 70.51 H new ATOM 0 HA LYS A 64 10.040 9.303 0.343 1.00 4.14 H new ATOM 0 HB2 LYS A 64 11.524 8.488 2.865 1.00 12.04 H new ATOM 0 HB3 LYS A 64 11.079 7.392 1.571 1.00 12.04 H new ATOM 0 HG2 LYS A 64 12.645 8.267 0.084 1.00 13.14 H new ATOM 0 HG3 LYS A 64 12.500 9.896 0.714 1.00 13.14 H new ATOM 0 HD2 LYS A 64 13.831 9.223 2.719 1.00 64.35 H new ATOM 0 HD3 LYS A 64 14.000 7.611 2.053 1.00 64.35 H new ATOM 0 HE2 LYS A 64 16.040 8.863 1.622 1.00 72.43 H new ATOM 0 HE3 LYS A 64 15.236 8.545 0.097 1.00 72.43 H new ATOM 0 HZ1 LYS A 64 16.156 10.881 0.627 1.00 23.42 H new ATOM 0 HZ2 LYS A 64 14.667 10.724 -0.173 1.00 23.42 H new ATOM 0 HZ3 LYS A 64 14.705 11.078 1.487 1.00 23.42 H new ATOM 1003 N LEU A 65 8.001 9.735 2.539 1.00 4.43 N ATOM 1004 CA LEU A 65 6.628 9.631 2.991 1.00 54.31 C ATOM 1005 C LEU A 65 5.746 9.426 1.758 1.00 15.31 C ATOM 1006 O LEU A 65 5.812 10.230 0.820 1.00 1.34 O ATOM 1007 CB LEU A 65 6.317 10.952 3.737 1.00 52.02 C ATOM 1008 CG LEU A 65 5.207 10.962 4.801 1.00 23.54 C ATOM 1009 CD1 LEU A 65 3.816 10.627 4.261 1.00 43.30 C ATOM 1010 CD2 LEU A 65 5.580 10.117 6.027 1.00 53.02 C ATOM 0 H LEU A 65 8.398 10.635 2.807 1.00 4.43 H new ATOM 0 HA LEU A 65 6.448 8.793 3.665 1.00 54.31 H new ATOM 0 HB2 LEU A 65 7.237 11.283 4.218 1.00 52.02 H new ATOM 0 HB3 LEU A 65 6.062 11.701 2.988 1.00 52.02 H new ATOM 0 HG LEU A 65 5.133 11.999 5.130 1.00 23.54 H new ATOM 0 HD11 LEU A 65 3.093 10.656 5.076 1.00 43.30 H new ATOM 0 HD12 LEU A 65 3.536 11.356 3.501 1.00 43.30 H new ATOM 0 HD13 LEU A 65 3.827 9.630 3.821 1.00 43.30 H new ATOM 0 HD21 LEU A 65 4.768 10.152 6.754 1.00 53.02 H new ATOM 0 HD22 LEU A 65 5.748 9.085 5.720 1.00 53.02 H new ATOM 0 HD23 LEU A 65 6.489 10.514 6.479 1.00 53.02 H new ATOM 1022 N ILE A 66 4.925 8.376 1.758 1.00 22.35 N ATOM 1023 CA ILE A 66 4.022 8.011 0.670 1.00 62.13 C ATOM 1024 C ILE A 66 2.582 8.164 1.150 1.00 24.41 C ATOM 1025 O ILE A 66 2.198 7.553 2.152 1.00 35.12 O ATOM 1026 CB ILE A 66 4.325 6.596 0.107 1.00 22.54 C ATOM 1027 CG1 ILE A 66 3.198 6.143 -0.858 1.00 42.44 C ATOM 1028 CG2 ILE A 66 4.613 5.550 1.197 1.00 44.25 C ATOM 1029 CD1 ILE A 66 3.452 4.831 -1.601 1.00 60.24 C ATOM 0 H ILE A 66 4.870 7.732 2.547 1.00 22.35 H new ATOM 0 HA ILE A 66 4.179 8.687 -0.170 1.00 62.13 H new ATOM 0 HB ILE A 66 5.252 6.673 -0.460 1.00 22.54 H new ATOM 0 HG12 ILE A 66 2.274 6.044 -0.288 1.00 42.44 H new ATOM 0 HG13 ILE A 66 3.036 6.931 -1.594 1.00 42.44 H new ATOM 0 HG21 ILE A 66 4.816 4.586 0.731 1.00 44.25 H new ATOM 0 HG22 ILE A 66 5.480 5.861 1.780 1.00 44.25 H new ATOM 0 HG23 ILE A 66 3.747 5.461 1.853 1.00 44.25 H new ATOM 0 HD11 ILE A 66 2.603 4.609 -2.247 1.00 60.24 H new ATOM 0 HD12 ILE A 66 4.354 4.924 -2.206 1.00 60.24 H new ATOM 0 HD13 ILE A 66 3.581 4.024 -0.880 1.00 60.24 H new ATOM 1041 N LYS A 67 1.763 8.936 0.434 1.00 54.31 N ATOM 1042 CA LYS A 67 0.322 8.961 0.631 1.00 43.22 C ATOM 1043 C LYS A 67 -0.412 8.340 -0.546 1.00 11.44 C ATOM 1044 O LYS A 67 0.137 8.190 -1.641 1.00 20.22 O ATOM 1045 CB LYS A 67 -0.197 10.386 0.825 1.00 3.55 C ATOM 1046 CG LYS A 67 0.568 11.291 1.797 1.00 50.43 C ATOM 1047 CD LYS A 67 1.748 12.033 1.164 1.00 14.41 C ATOM 1048 CE LYS A 67 2.033 13.412 1.796 1.00 2.25 C ATOM 1049 NZ LYS A 67 0.924 14.391 1.647 1.00 41.53 N ATOM 0 H LYS A 67 2.088 9.563 -0.302 1.00 54.31 H new ATOM 0 HA LYS A 67 0.128 8.379 1.532 1.00 43.22 H new ATOM 0 HB2 LYS A 67 -0.211 10.875 -0.149 1.00 3.55 H new ATOM 0 HB3 LYS A 67 -1.231 10.324 1.165 1.00 3.55 H new ATOM 0 HG2 LYS A 67 -0.123 12.022 2.217 1.00 50.43 H new ATOM 0 HG3 LYS A 67 0.936 10.687 2.626 1.00 50.43 H new ATOM 0 HD2 LYS A 67 2.641 11.414 1.249 1.00 14.41 H new ATOM 0 HD3 LYS A 67 1.552 12.166 0.100 1.00 14.41 H new ATOM 0 HE2 LYS A 67 2.243 13.277 2.857 1.00 2.25 H new ATOM 0 HE3 LYS A 67 2.933 13.828 1.343 1.00 2.25 H new ATOM 0 HZ1 LYS A 67 1.292 15.355 1.777 1.00 41.53 H new ATOM 0 HZ2 LYS A 67 0.510 14.304 0.697 1.00 41.53 H new ATOM 0 HZ3 LYS A 67 0.194 14.200 2.362 1.00 41.53 H new ATOM 1063 N LEU A 68 -1.689 8.070 -0.311 1.00 24.24 N ATOM 1064 CA LEU A 68 -2.691 7.724 -1.292 1.00 23.04 C ATOM 1065 C LEU A 68 -3.711 8.850 -1.275 1.00 13.21 C ATOM 1066 O LEU A 68 -4.176 9.238 -0.198 1.00 72.04 O ATOM 1067 CB LEU A 68 -3.377 6.412 -0.897 1.00 52.44 C ATOM 1068 CG LEU A 68 -2.552 5.124 -1.039 1.00 75.41 C ATOM 1069 CD1 LEU A 68 -1.902 5.020 -2.419 1.00 72.30 C ATOM 1070 CD2 LEU A 68 -1.494 4.906 0.058 1.00 0.23 C ATOM 0 H LEU A 68 -2.071 8.090 0.635 1.00 24.24 H new ATOM 0 HA LEU A 68 -2.248 7.594 -2.279 1.00 23.04 H new ATOM 0 HB2 LEU A 68 -3.697 6.496 0.141 1.00 52.44 H new ATOM 0 HB3 LEU A 68 -4.278 6.306 -1.501 1.00 52.44 H new ATOM 0 HG LEU A 68 -3.283 4.325 -0.915 1.00 75.41 H new ATOM 0 HD11 LEU A 68 -1.327 4.096 -2.482 1.00 72.30 H new ATOM 0 HD12 LEU A 68 -2.676 5.018 -3.187 1.00 72.30 H new ATOM 0 HD13 LEU A 68 -1.239 5.871 -2.574 1.00 72.30 H new ATOM 0 HD21 LEU A 68 -0.964 3.972 -0.128 1.00 0.23 H new ATOM 0 HD22 LEU A 68 -0.785 5.734 0.049 1.00 0.23 H new ATOM 0 HD23 LEU A 68 -1.983 4.858 1.031 1.00 0.23 H new ATOM 1082 N TYR A 69 -4.053 9.369 -2.450 1.00 52.21 N ATOM 1083 CA TYR A 69 -5.053 10.405 -2.632 1.00 42.43 C ATOM 1084 C TYR A 69 -6.167 9.849 -3.496 1.00 24.35 C ATOM 1085 O TYR A 69 -5.940 9.016 -4.373 1.00 4.12 O ATOM 1086 CB TYR A 69 -4.457 11.629 -3.329 1.00 71.04 C ATOM 1087 CG TYR A 69 -3.524 12.475 -2.496 1.00 33.04 C ATOM 1088 CD1 TYR A 69 -2.229 12.021 -2.191 1.00 53.20 C ATOM 1089 CD2 TYR A 69 -3.930 13.761 -2.099 1.00 53.23 C ATOM 1090 CE1 TYR A 69 -1.347 12.861 -1.495 1.00 42.50 C ATOM 1091 CE2 TYR A 69 -3.057 14.599 -1.388 1.00 51.32 C ATOM 1092 CZ TYR A 69 -1.752 14.150 -1.097 1.00 4.33 C ATOM 1093 OH TYR A 69 -0.845 14.971 -0.506 1.00 74.10 O ATOM 0 H TYR A 69 -3.626 9.068 -3.326 1.00 52.21 H new ATOM 0 HA TYR A 69 -5.426 10.710 -1.654 1.00 42.43 H new ATOM 0 HB2 TYR A 69 -3.917 11.292 -4.214 1.00 71.04 H new ATOM 0 HB3 TYR A 69 -5.276 12.260 -3.676 1.00 71.04 H new ATOM 0 HD1 TYR A 69 -1.915 11.032 -2.491 1.00 53.20 H new ATOM 0 HD2 TYR A 69 -4.923 14.107 -2.343 1.00 53.23 H new ATOM 0 HE1 TYR A 69 -0.350 12.517 -1.263 1.00 42.50 H new ATOM 0 HE2 TYR A 69 -3.381 15.578 -1.067 1.00 51.32 H new ATOM 0 HH TYR A 69 -1.271 15.826 -0.289 1.00 74.10 H new ATOM 1103 N ASP A 70 -7.364 10.371 -3.273 1.00 54.41 N ATOM 1104 CA ASP A 70 -8.582 9.773 -3.807 1.00 61.24 C ATOM 1105 C ASP A 70 -9.219 10.681 -4.865 1.00 71.04 C ATOM 1106 O ASP A 70 -8.561 11.600 -5.345 1.00 63.40 O ATOM 1107 CB ASP A 70 -9.490 9.439 -2.625 1.00 62.33 C ATOM 1108 CG ASP A 70 -9.151 8.132 -1.911 1.00 74.00 C ATOM 1109 OD1 ASP A 70 -8.140 7.480 -2.256 1.00 1.11 O ATOM 1110 OD2 ASP A 70 -9.976 7.772 -1.040 1.00 24.05 O ATOM 0 H ASP A 70 -7.520 11.215 -2.721 1.00 54.41 H new ATOM 0 HA ASP A 70 -8.375 8.845 -4.340 1.00 61.24 H new ATOM 0 HB2 ASP A 70 -9.440 10.255 -1.904 1.00 62.33 H new ATOM 0 HB3 ASP A 70 -10.520 9.388 -2.978 1.00 62.33 H new ATOM 1115 N LYS A 71 -10.469 10.426 -5.279 1.00 15.32 N ATOM 1116 CA LYS A 71 -11.156 11.175 -6.347 1.00 1.13 C ATOM 1117 C LYS A 71 -11.188 12.687 -6.105 1.00 14.53 C ATOM 1118 O LYS A 71 -11.147 13.468 -7.061 1.00 64.20 O ATOM 1119 CB LYS A 71 -12.616 10.724 -6.525 1.00 41.21 C ATOM 1120 CG LYS A 71 -12.875 9.217 -6.672 1.00 3.21 C ATOM 1121 CD LYS A 71 -13.276 8.534 -5.356 1.00 64.10 C ATOM 1122 CE LYS A 71 -14.621 9.022 -4.795 1.00 44.51 C ATOM 1123 NZ LYS A 71 -14.487 9.663 -3.471 1.00 0.25 N ATOM 0 H LYS A 71 -11.041 9.683 -4.877 1.00 15.32 H new ATOM 0 HA LYS A 71 -10.569 10.958 -7.240 1.00 1.13 H new ATOM 0 HB2 LYS A 71 -13.187 11.082 -5.668 1.00 41.21 H new ATOM 0 HB3 LYS A 71 -13.018 11.223 -7.407 1.00 41.21 H new ATOM 0 HG2 LYS A 71 -13.664 9.062 -7.408 1.00 3.21 H new ATOM 0 HG3 LYS A 71 -11.977 8.738 -7.062 1.00 3.21 H new ATOM 0 HD2 LYS A 71 -13.328 7.457 -5.516 1.00 64.10 H new ATOM 0 HD3 LYS A 71 -12.497 8.709 -4.614 1.00 64.10 H new ATOM 0 HE2 LYS A 71 -15.066 9.730 -5.494 1.00 44.51 H new ATOM 0 HE3 LYS A 71 -15.306 8.177 -4.718 1.00 44.51 H new ATOM 0 HZ1 LYS A 71 -15.325 9.446 -2.894 1.00 0.25 H new ATOM 0 HZ2 LYS A 71 -13.636 9.302 -2.995 1.00 0.25 H new ATOM 0 HZ3 LYS A 71 -14.406 10.693 -3.591 1.00 0.25 H new ATOM 1137 N GLU A 72 -11.335 13.105 -4.849 1.00 51.40 N ATOM 1138 CA GLU A 72 -11.344 14.514 -4.457 1.00 12.44 C ATOM 1139 C GLU A 72 -9.937 14.990 -4.056 1.00 54.12 C ATOM 1140 O GLU A 72 -9.776 16.127 -3.619 1.00 55.34 O ATOM 1141 CB GLU A 72 -12.360 14.717 -3.324 1.00 62.20 C ATOM 1142 CG GLU A 72 -13.818 14.546 -3.780 1.00 54.34 C ATOM 1143 CD GLU A 72 -14.522 13.418 -3.027 1.00 52.12 C ATOM 1144 OE1 GLU A 72 -14.843 13.597 -1.829 1.00 32.34 O ATOM 1145 OE2 GLU A 72 -14.780 12.359 -3.650 1.00 43.30 O ATOM 0 H GLU A 72 -11.453 12.465 -4.063 1.00 51.40 H new ATOM 0 HA GLU A 72 -11.646 15.123 -5.309 1.00 12.44 H new ATOM 0 HB2 GLU A 72 -12.150 14.006 -2.525 1.00 62.20 H new ATOM 0 HB3 GLU A 72 -12.232 15.715 -2.904 1.00 62.20 H new ATOM 0 HG2 GLU A 72 -14.359 15.479 -3.624 1.00 54.34 H new ATOM 0 HG3 GLU A 72 -13.842 14.339 -4.850 1.00 54.34 H new ATOM 1152 N GLU A 73 -8.916 14.144 -4.224 1.00 4.22 N ATOM 1153 CA GLU A 73 -7.498 14.431 -4.086 1.00 54.21 C ATOM 1154 C GLU A 73 -7.200 15.069 -2.732 1.00 54.30 C ATOM 1155 O GLU A 73 -6.505 16.080 -2.627 1.00 43.32 O ATOM 1156 CB GLU A 73 -6.963 15.168 -5.330 1.00 0.22 C ATOM 1157 CG GLU A 73 -7.065 14.231 -6.547 1.00 42.10 C ATOM 1158 CD GLU A 73 -6.580 14.857 -7.848 1.00 24.25 C ATOM 1159 OE1 GLU A 73 -7.325 15.663 -8.447 1.00 53.12 O ATOM 1160 OE2 GLU A 73 -5.515 14.440 -8.359 1.00 72.00 O ATOM 0 H GLU A 73 -9.079 13.170 -4.479 1.00 4.22 H new ATOM 0 HA GLU A 73 -6.923 13.505 -4.067 1.00 54.21 H new ATOM 0 HB2 GLU A 73 -7.538 16.078 -5.505 1.00 0.22 H new ATOM 0 HB3 GLU A 73 -5.928 15.470 -5.173 1.00 0.22 H new ATOM 0 HG2 GLU A 73 -6.484 13.330 -6.350 1.00 42.10 H new ATOM 0 HG3 GLU A 73 -8.103 13.921 -6.669 1.00 42.10 H new ATOM 1167 N HIS A 74 -7.682 14.409 -1.672 1.00 2.45 N ATOM 1168 CA HIS A 74 -7.661 14.933 -0.309 1.00 42.42 C ATOM 1169 C HIS A 74 -6.814 14.147 0.688 1.00 31.15 C ATOM 1170 O HIS A 74 -6.790 14.507 1.866 1.00 72.00 O ATOM 1171 CB HIS A 74 -9.101 15.148 0.171 1.00 45.40 C ATOM 1172 CG HIS A 74 -10.061 13.986 0.077 1.00 74.30 C ATOM 1173 ND1 HIS A 74 -11.427 14.142 0.015 1.00 64.11 N ATOM 1174 CD2 HIS A 74 -9.793 12.641 -0.018 1.00 51.52 C ATOM 1175 CE1 HIS A 74 -11.973 12.928 -0.141 1.00 71.02 C ATOM 1176 NE2 HIS A 74 -11.015 11.988 -0.192 1.00 33.15 N ATOM 0 H HIS A 74 -8.103 13.483 -1.743 1.00 2.45 H new ATOM 0 HA HIS A 74 -7.141 15.890 -0.352 1.00 42.42 H new ATOM 0 HB2 HIS A 74 -9.062 15.465 1.213 1.00 45.40 H new ATOM 0 HB3 HIS A 74 -9.523 15.976 -0.399 1.00 45.40 H new ATOM 0 HD2 HIS A 74 -8.819 12.176 0.032 1.00 51.52 H new ATOM 0 HE1 HIS A 74 -13.033 12.733 -0.215 1.00 71.02 H new ATOM 0 HE2 HIS A 74 -11.154 10.987 -0.331 1.00 33.15 H new ATOM 1184 N CYS A 75 -6.089 13.130 0.217 1.00 74.04 N ATOM 1185 CA CYS A 75 -5.433 12.078 0.997 1.00 22.12 C ATOM 1186 C CYS A 75 -6.483 11.188 1.679 1.00 33.32 C ATOM 1187 O CYS A 75 -7.557 11.653 2.060 1.00 25.03 O ATOM 1188 CB CYS A 75 -4.474 12.682 2.035 1.00 5.41 C ATOM 1189 SG CYS A 75 -3.300 11.477 2.708 1.00 10.51 S ATOM 0 H CYS A 75 -5.934 13.012 -0.784 1.00 74.04 H new ATOM 0 HA CYS A 75 -4.845 11.462 0.317 1.00 22.12 H new ATOM 0 HB2 CYS A 75 -3.921 13.501 1.576 1.00 5.41 H new ATOM 0 HB3 CYS A 75 -5.055 13.109 2.852 1.00 5.41 H new ATOM 0 HG CYS A 75 -2.526 12.062 3.573 1.00 10.51 H new ATOM 1195 N THR A 76 -6.160 9.912 1.861 1.00 61.00 N ATOM 1196 CA THR A 76 -6.950 8.987 2.670 1.00 61.01 C ATOM 1197 C THR A 76 -6.050 8.125 3.569 1.00 53.34 C ATOM 1198 O THR A 76 -6.470 7.752 4.671 1.00 14.21 O ATOM 1199 CB THR A 76 -7.888 8.176 1.753 1.00 4.21 C ATOM 1200 OG1 THR A 76 -8.696 7.281 2.489 1.00 42.12 O ATOM 1201 CG2 THR A 76 -7.115 7.411 0.674 1.00 12.34 C ATOM 0 H THR A 76 -5.332 9.484 1.446 1.00 61.00 H new ATOM 0 HA THR A 76 -7.585 9.543 3.360 1.00 61.01 H new ATOM 0 HB THR A 76 -8.535 8.902 1.261 1.00 4.21 H new ATOM 0 HG1 THR A 76 -9.278 6.786 1.876 1.00 42.12 H new ATOM 0 HG21 THR A 76 -7.815 6.854 0.051 1.00 12.34 H new ATOM 0 HG22 THR A 76 -6.560 8.116 0.055 1.00 12.34 H new ATOM 0 HG23 THR A 76 -6.419 6.718 1.147 1.00 12.34 H new ATOM 1209 N GLU A 77 -4.801 7.864 3.166 1.00 73.04 N ATOM 1210 CA GLU A 77 -3.791 7.205 3.981 1.00 72.31 C ATOM 1211 C GLU A 77 -2.447 7.843 3.662 1.00 42.22 C ATOM 1212 O GLU A 77 -2.199 8.223 2.515 1.00 35.22 O ATOM 1213 CB GLU A 77 -3.715 5.703 3.668 1.00 14.42 C ATOM 1214 CG GLU A 77 -4.894 4.900 4.225 1.00 63.40 C ATOM 1215 CD GLU A 77 -4.622 3.407 4.048 1.00 20.03 C ATOM 1216 OE1 GLU A 77 -3.890 2.827 4.882 1.00 0.13 O ATOM 1217 OE2 GLU A 77 -5.101 2.816 3.045 1.00 51.30 O ATOM 0 H GLU A 77 -4.462 8.115 2.237 1.00 73.04 H new ATOM 0 HA GLU A 77 -4.049 7.319 5.034 1.00 72.31 H new ATOM 0 HB2 GLU A 77 -3.672 5.567 2.587 1.00 14.42 H new ATOM 0 HB3 GLU A 77 -2.788 5.302 4.077 1.00 14.42 H new ATOM 0 HG2 GLU A 77 -5.039 5.131 5.280 1.00 63.40 H new ATOM 0 HG3 GLU A 77 -5.813 5.177 3.708 1.00 63.40 H new ATOM 1224 N GLN A 78 -1.541 7.875 4.635 1.00 41.33 N ATOM 1225 CA GLN A 78 -0.180 8.356 4.494 1.00 50.02 C ATOM 1226 C GLN A 78 0.683 7.444 5.359 1.00 13.32 C ATOM 1227 O GLN A 78 0.261 7.073 6.447 1.00 43.13 O ATOM 1228 CB GLN A 78 -0.121 9.821 4.962 1.00 70.24 C ATOM 1229 CG GLN A 78 -0.760 10.117 6.323 1.00 42.14 C ATOM 1230 CD GLN A 78 -0.423 11.533 6.767 1.00 44.31 C ATOM 1231 OE1 GLN A 78 -0.990 12.529 6.332 1.00 10.14 O ATOM 1232 NE2 GLN A 78 0.546 11.669 7.648 1.00 3.25 N ATOM 0 H GLN A 78 -1.749 7.552 5.580 1.00 41.33 H new ATOM 0 HA GLN A 78 0.175 8.333 3.464 1.00 50.02 H new ATOM 0 HB2 GLN A 78 0.924 10.128 4.999 1.00 70.24 H new ATOM 0 HB3 GLN A 78 -0.609 10.442 4.211 1.00 70.24 H new ATOM 0 HG2 GLN A 78 -1.841 9.996 6.259 1.00 42.14 H new ATOM 0 HG3 GLN A 78 -0.403 9.401 7.064 1.00 42.14 H new ATOM 0 HE21 GLN A 78 1.022 10.844 8.014 1.00 3.25 H new ATOM 0 HE22 GLN A 78 0.821 12.599 7.965 1.00 3.25 H new ATOM 1241 N TYR A 79 1.889 7.083 4.944 1.00 54.33 N ATOM 1242 CA TYR A 79 2.783 6.300 5.777 1.00 23.11 C ATOM 1243 C TYR A 79 4.229 6.657 5.443 1.00 11.04 C ATOM 1244 O TYR A 79 4.512 7.331 4.450 1.00 34.44 O ATOM 1245 CB TYR A 79 2.479 4.814 5.564 1.00 51.24 C ATOM 1246 CG TYR A 79 3.547 3.860 5.930 1.00 11.20 C ATOM 1247 CD1 TYR A 79 4.061 3.829 7.234 1.00 51.43 C ATOM 1248 CD2 TYR A 79 4.217 3.263 4.866 1.00 61.33 C ATOM 1249 CE1 TYR A 79 5.297 3.228 7.463 1.00 32.51 C ATOM 1250 CE2 TYR A 79 5.437 2.666 5.102 1.00 73.53 C ATOM 1251 CZ TYR A 79 5.956 2.611 6.394 1.00 24.10 C ATOM 1252 OH TYR A 79 7.038 1.864 6.620 1.00 73.14 O ATOM 0 H TYR A 79 2.270 7.323 4.029 1.00 54.33 H new ATOM 0 HA TYR A 79 2.632 6.523 6.833 1.00 23.11 H new ATOM 0 HB2 TYR A 79 1.587 4.563 6.138 1.00 51.24 H new ATOM 0 HB3 TYR A 79 2.234 4.664 4.513 1.00 51.24 H new ATOM 0 HD1 TYR A 79 3.506 4.266 8.051 1.00 51.43 H new ATOM 0 HD2 TYR A 79 3.789 3.267 3.874 1.00 61.33 H new ATOM 0 HE1 TYR A 79 5.739 3.238 8.448 1.00 32.51 H new ATOM 0 HE2 TYR A 79 5.994 2.239 4.281 1.00 73.53 H new ATOM 0 HH TYR A 79 6.777 0.921 6.683 1.00 73.14 H new ATOM 1262 N HIS A 80 5.112 6.183 6.317 1.00 24.32 N ATOM 1263 CA HIS A 80 6.541 6.043 6.143 1.00 74.51 C ATOM 1264 C HIS A 80 6.945 5.193 4.926 1.00 54.13 C ATOM 1265 O HIS A 80 6.182 5.033 3.980 1.00 3.24 O ATOM 1266 CB HIS A 80 7.197 5.646 7.496 1.00 25.22 C ATOM 1267 CG HIS A 80 8.302 6.612 7.848 1.00 21.54 C ATOM 1268 ND1 HIS A 80 8.114 7.936 8.201 1.00 33.53 N ATOM 1269 CD2 HIS A 80 9.647 6.405 7.685 1.00 44.42 C ATOM 1270 CE1 HIS A 80 9.318 8.528 8.229 1.00 31.54 C ATOM 1271 NE2 HIS A 80 10.278 7.637 7.910 1.00 2.20 N ATOM 0 H HIS A 80 4.814 5.863 7.239 1.00 24.32 H new ATOM 0 HA HIS A 80 6.955 7.014 5.871 1.00 74.51 H new ATOM 0 HB2 HIS A 80 6.445 5.641 8.285 1.00 25.22 H new ATOM 0 HB3 HIS A 80 7.597 4.634 7.431 1.00 25.22 H new ATOM 0 HD2 HIS A 80 10.129 5.472 7.432 1.00 44.42 H new ATOM 0 HE1 HIS A 80 9.492 9.566 8.472 1.00 31.54 H new ATOM 0 HE2 HIS A 80 11.279 7.824 7.844 1.00 2.20 H new ATOM 1279 N ILE A 81 8.185 4.715 4.897 1.00 43.25 N ATOM 1280 CA ILE A 81 8.643 3.477 4.256 1.00 64.24 C ATOM 1281 C ILE A 81 9.788 3.072 5.192 1.00 63.53 C ATOM 1282 O ILE A 81 10.767 3.809 5.338 1.00 41.34 O ATOM 1283 CB ILE A 81 9.212 3.803 2.848 1.00 54.41 C ATOM 1284 CG1 ILE A 81 8.130 4.263 1.848 1.00 42.04 C ATOM 1285 CG2 ILE A 81 10.024 2.631 2.283 1.00 40.21 C ATOM 1286 CD1 ILE A 81 8.580 4.409 0.388 1.00 24.33 C ATOM 0 H ILE A 81 8.952 5.212 5.350 1.00 43.25 H new ATOM 0 HA ILE A 81 7.873 2.718 4.121 1.00 64.24 H new ATOM 0 HB ILE A 81 9.885 4.649 2.985 1.00 54.41 H new ATOM 0 HG12 ILE A 81 7.305 3.551 1.883 1.00 42.04 H new ATOM 0 HG13 ILE A 81 7.738 5.223 2.184 1.00 42.04 H new ATOM 0 HG21 ILE A 81 10.406 2.895 1.297 1.00 40.21 H new ATOM 0 HG22 ILE A 81 10.859 2.412 2.949 1.00 40.21 H new ATOM 0 HG23 ILE A 81 9.385 1.752 2.201 1.00 40.21 H new ATOM 0 HD11 ILE A 81 7.738 4.737 -0.221 1.00 24.33 H new ATOM 0 HD12 ILE A 81 9.381 5.146 0.326 1.00 24.33 H new ATOM 0 HD13 ILE A 81 8.941 3.448 0.021 1.00 24.33 H new ATOM 1298 N LEU A 82 9.664 1.908 5.814 1.00 64.22 N ATOM 1299 CA LEU A 82 10.708 1.218 6.541 1.00 22.40 C ATOM 1300 C LEU A 82 11.559 0.438 5.538 1.00 72.42 C ATOM 1301 O LEU A 82 12.726 0.767 5.329 1.00 54.33 O ATOM 1302 CB LEU A 82 10.078 0.298 7.594 1.00 73.33 C ATOM 1303 CG LEU A 82 9.292 1.008 8.714 1.00 63.13 C ATOM 1304 CD1 LEU A 82 8.601 -0.073 9.534 1.00 13.23 C ATOM 1305 CD2 LEU A 82 10.178 1.882 9.606 1.00 70.41 C ATOM 0 H LEU A 82 8.782 1.396 5.822 1.00 64.22 H new ATOM 0 HA LEU A 82 11.350 1.924 7.067 1.00 22.40 H new ATOM 0 HB2 LEU A 82 9.408 -0.397 7.089 1.00 73.33 H new ATOM 0 HB3 LEU A 82 10.869 -0.297 8.051 1.00 73.33 H new ATOM 0 HG LEU A 82 8.570 1.690 8.265 1.00 63.13 H new ATOM 0 HD11 LEU A 82 8.032 0.390 10.340 1.00 13.23 H new ATOM 0 HD12 LEU A 82 7.926 -0.641 8.893 1.00 13.23 H new ATOM 0 HD13 LEU A 82 9.349 -0.743 9.957 1.00 13.23 H new ATOM 0 HD21 LEU A 82 9.567 2.355 10.375 1.00 70.41 H new ATOM 0 HD22 LEU A 82 10.941 1.264 10.079 1.00 70.41 H new ATOM 0 HD23 LEU A 82 10.658 2.651 9.001 1.00 70.41 H new ATOM 1317 N LYS A 83 10.975 -0.571 4.882 1.00 1.04 N ATOM 1318 CA LYS A 83 11.652 -1.477 3.956 1.00 32.20 C ATOM 1319 C LYS A 83 10.648 -1.977 2.891 1.00 11.00 C ATOM 1320 O LYS A 83 9.440 -2.054 3.163 1.00 73.31 O ATOM 1321 CB LYS A 83 12.279 -2.594 4.830 1.00 13.10 C ATOM 1322 CG LYS A 83 13.764 -2.836 4.536 1.00 34.11 C ATOM 1323 CD LYS A 83 14.023 -3.815 3.381 1.00 11.12 C ATOM 1324 CE LYS A 83 15.385 -3.568 2.724 1.00 1.23 C ATOM 1325 NZ LYS A 83 16.500 -3.472 3.704 1.00 61.24 N ATOM 0 H LYS A 83 9.983 -0.784 4.987 1.00 1.04 H new ATOM 0 HA LYS A 83 12.448 -1.000 3.384 1.00 32.20 H new ATOM 0 HB2 LYS A 83 12.163 -2.331 5.881 1.00 13.10 H new ATOM 0 HB3 LYS A 83 11.729 -3.521 4.671 1.00 13.10 H new ATOM 0 HG2 LYS A 83 14.237 -1.882 4.303 1.00 34.11 H new ATOM 0 HG3 LYS A 83 14.244 -3.218 5.437 1.00 34.11 H new ATOM 0 HD2 LYS A 83 13.979 -4.838 3.754 1.00 11.12 H new ATOM 0 HD3 LYS A 83 13.235 -3.714 2.635 1.00 11.12 H new ATOM 0 HE2 LYS A 83 15.595 -4.376 2.023 1.00 1.23 H new ATOM 0 HE3 LYS A 83 15.339 -2.646 2.144 1.00 1.23 H new ATOM 0 HZ1 LYS A 83 17.409 -3.492 3.199 1.00 61.24 H new ATOM 0 HZ2 LYS A 83 16.419 -2.582 4.236 1.00 61.24 H new ATOM 0 HZ3 LYS A 83 16.453 -4.275 4.363 1.00 61.24 H new ATOM 1339 N LEU A 84 11.100 -2.215 1.653 1.00 60.55 N ATOM 1340 CA LEU A 84 10.315 -2.716 0.521 1.00 43.24 C ATOM 1341 C LEU A 84 11.273 -3.576 -0.297 1.00 0.11 C ATOM 1342 O LEU A 84 12.413 -3.153 -0.470 1.00 43.34 O ATOM 1343 CB LEU A 84 9.836 -1.516 -0.319 1.00 61.22 C ATOM 1344 CG LEU A 84 8.808 -1.764 -1.440 1.00 51.24 C ATOM 1345 CD1 LEU A 84 8.281 -0.419 -1.942 1.00 35.34 C ATOM 1346 CD2 LEU A 84 9.352 -2.491 -2.663 1.00 32.13 C ATOM 0 H LEU A 84 12.076 -2.054 1.402 1.00 60.55 H new ATOM 0 HA LEU A 84 9.442 -3.286 0.838 1.00 43.24 H new ATOM 0 HB2 LEU A 84 9.409 -0.782 0.365 1.00 61.22 H new ATOM 0 HB3 LEU A 84 10.715 -1.057 -0.771 1.00 61.22 H new ATOM 0 HG LEU A 84 8.045 -2.396 -0.987 1.00 51.24 H new ATOM 0 HD11 LEU A 84 7.553 -0.587 -2.736 1.00 35.34 H new ATOM 0 HD12 LEU A 84 7.805 0.115 -1.120 1.00 35.34 H new ATOM 0 HD13 LEU A 84 9.109 0.175 -2.329 1.00 35.34 H new ATOM 0 HD21 LEU A 84 8.555 -2.618 -3.395 1.00 32.13 H new ATOM 0 HD22 LEU A 84 10.160 -1.907 -3.104 1.00 32.13 H new ATOM 0 HD23 LEU A 84 9.732 -3.469 -2.366 1.00 32.13 H new ATOM 1358 N THR A 85 10.831 -4.724 -0.806 1.00 14.14 N ATOM 1359 CA THR A 85 11.611 -5.621 -1.669 1.00 43.44 C ATOM 1360 C THR A 85 10.757 -6.188 -2.811 1.00 53.32 C ATOM 1361 O THR A 85 9.590 -5.829 -2.961 1.00 74.23 O ATOM 1362 CB THR A 85 12.185 -6.772 -0.833 1.00 14.31 C ATOM 1363 OG1 THR A 85 11.131 -7.609 -0.398 1.00 0.12 O ATOM 1364 CG2 THR A 85 12.910 -6.305 0.421 1.00 44.11 C ATOM 0 H THR A 85 9.889 -5.071 -0.625 1.00 14.14 H new ATOM 0 HA THR A 85 12.422 -5.042 -2.111 1.00 43.44 H new ATOM 0 HB THR A 85 12.895 -7.286 -1.481 1.00 14.31 H new ATOM 0 HG1 THR A 85 10.553 -7.113 0.219 1.00 0.12 H new ATOM 0 HG21 THR A 85 13.290 -7.170 0.965 1.00 44.11 H new ATOM 0 HG22 THR A 85 13.741 -5.658 0.141 1.00 44.11 H new ATOM 0 HG23 THR A 85 12.218 -5.752 1.057 1.00 44.11 H new ATOM 1372 N SER A 86 11.276 -7.143 -3.584 1.00 3.13 N ATOM 1373 CA SER A 86 10.520 -7.824 -4.629 1.00 32.31 C ATOM 1374 C SER A 86 9.303 -8.588 -4.112 1.00 35.33 C ATOM 1375 O SER A 86 8.458 -8.971 -4.927 1.00 32.14 O ATOM 1376 CB SER A 86 11.505 -8.713 -5.419 1.00 71.45 C ATOM 1377 OG SER A 86 11.388 -10.103 -5.177 1.00 42.42 O ATOM 0 H SER A 86 12.240 -7.466 -3.500 1.00 3.13 H new ATOM 0 HA SER A 86 10.081 -7.080 -5.293 1.00 32.31 H new ATOM 0 HB2 SER A 86 11.359 -8.532 -6.484 1.00 71.45 H new ATOM 0 HB3 SER A 86 12.522 -8.403 -5.179 1.00 71.45 H new ATOM 0 HG SER A 86 12.047 -10.586 -5.719 1.00 42.42 H new ATOM 1383 N LYS A 87 9.173 -8.807 -2.801 1.00 31.41 N ATOM 1384 CA LYS A 87 8.167 -9.709 -2.248 1.00 23.32 C ATOM 1385 C LYS A 87 7.743 -9.371 -0.822 1.00 24.53 C ATOM 1386 O LYS A 87 6.850 -10.033 -0.295 1.00 61.24 O ATOM 1387 CB LYS A 87 8.728 -11.138 -2.341 1.00 15.23 C ATOM 1388 CG LYS A 87 10.154 -11.265 -1.770 1.00 75.11 C ATOM 1389 CD LYS A 87 10.470 -12.727 -1.455 1.00 73.35 C ATOM 1390 CE LYS A 87 9.749 -13.184 -0.180 1.00 41.05 C ATOM 1391 NZ LYS A 87 9.932 -14.621 0.080 1.00 24.53 N ATOM 0 H LYS A 87 9.762 -8.364 -2.097 1.00 31.41 H new ATOM 0 HA LYS A 87 7.253 -9.603 -2.832 1.00 23.32 H new ATOM 0 HB2 LYS A 87 8.066 -11.818 -1.804 1.00 15.23 H new ATOM 0 HB3 LYS A 87 8.731 -11.454 -3.384 1.00 15.23 H new ATOM 0 HG2 LYS A 87 10.877 -10.876 -2.487 1.00 75.11 H new ATOM 0 HG3 LYS A 87 10.246 -10.663 -0.866 1.00 75.11 H new ATOM 0 HD2 LYS A 87 10.169 -13.356 -2.293 1.00 73.35 H new ATOM 0 HD3 LYS A 87 11.546 -12.852 -1.333 1.00 73.35 H new ATOM 0 HE2 LYS A 87 10.122 -12.613 0.670 1.00 41.05 H new ATOM 0 HE3 LYS A 87 8.685 -12.966 -0.269 1.00 41.05 H new ATOM 0 HZ1 LYS A 87 9.427 -14.883 0.951 1.00 24.53 H new ATOM 0 HZ2 LYS A 87 9.553 -15.169 -0.718 1.00 24.53 H new ATOM 0 HZ3 LYS A 87 10.945 -14.827 0.192 1.00 24.53 H new ATOM 1405 N GLU A 88 8.355 -8.374 -0.189 1.00 60.22 N ATOM 1406 CA GLU A 88 8.192 -8.137 1.235 1.00 31.20 C ATOM 1407 C GLU A 88 8.320 -6.647 1.503 1.00 42.21 C ATOM 1408 O GLU A 88 9.323 -6.057 1.102 1.00 4.42 O ATOM 1409 CB GLU A 88 9.260 -8.958 2.003 1.00 14.42 C ATOM 1410 CG GLU A 88 8.603 -9.541 3.250 1.00 55.04 C ATOM 1411 CD GLU A 88 9.327 -10.730 3.889 1.00 53.04 C ATOM 1412 OE1 GLU A 88 8.976 -11.877 3.516 1.00 55.25 O ATOM 1413 OE2 GLU A 88 10.078 -10.524 4.872 1.00 75.11 O ATOM 0 H GLU A 88 8.976 -7.710 -0.652 1.00 60.22 H new ATOM 0 HA GLU A 88 7.208 -8.457 1.578 1.00 31.20 H new ATOM 0 HB2 GLU A 88 9.654 -9.755 1.372 1.00 14.42 H new ATOM 0 HB3 GLU A 88 10.103 -8.324 2.278 1.00 14.42 H new ATOM 0 HG2 GLU A 88 8.515 -8.750 3.995 1.00 55.04 H new ATOM 0 HG3 GLU A 88 7.590 -9.851 2.993 1.00 55.04 H new ATOM 1420 N MET A 89 7.311 -6.015 2.102 1.00 44.33 N ATOM 1421 CA MET A 89 7.280 -4.582 2.372 1.00 22.31 C ATOM 1422 C MET A 89 6.579 -4.290 3.694 1.00 74.43 C ATOM 1423 O MET A 89 5.600 -4.955 4.032 1.00 1.31 O ATOM 1424 CB MET A 89 6.528 -3.926 1.211 1.00 23.51 C ATOM 1425 CG MET A 89 6.289 -2.434 1.380 1.00 64.41 C ATOM 1426 SD MET A 89 5.512 -1.662 -0.059 1.00 63.32 S ATOM 1427 CE MET A 89 3.789 -1.724 0.465 1.00 55.01 C ATOM 0 H MET A 89 6.472 -6.500 2.420 1.00 44.33 H new ATOM 0 HA MET A 89 8.293 -4.187 2.455 1.00 22.31 H new ATOM 0 HB2 MET A 89 7.090 -4.090 0.292 1.00 23.51 H new ATOM 0 HB3 MET A 89 5.566 -4.424 1.090 1.00 23.51 H new ATOM 0 HG2 MET A 89 5.659 -2.272 2.254 1.00 64.41 H new ATOM 0 HG3 MET A 89 7.241 -1.941 1.577 1.00 64.41 H new ATOM 0 HE1 MET A 89 3.280 -0.813 0.150 1.00 55.01 H new ATOM 0 HE2 MET A 89 3.302 -2.588 0.012 1.00 55.01 H new ATOM 0 HE3 MET A 89 3.742 -1.809 1.551 1.00 55.01 H new ATOM 1437 N LYS A 90 6.983 -3.225 4.398 1.00 60.42 N ATOM 1438 CA LYS A 90 6.461 -2.938 5.737 1.00 55.01 C ATOM 1439 C LYS A 90 5.927 -1.543 5.821 1.00 3.14 C ATOM 1440 O LYS A 90 6.693 -0.609 6.051 1.00 73.15 O ATOM 1441 CB LYS A 90 7.528 -3.226 6.799 1.00 40.15 C ATOM 1442 CG LYS A 90 7.477 -4.715 7.189 1.00 14.44 C ATOM 1443 CD LYS A 90 8.695 -5.268 7.942 1.00 42.43 C ATOM 1444 CE LYS A 90 8.486 -5.422 9.451 1.00 60.55 C ATOM 1445 NZ LYS A 90 8.944 -4.249 10.213 1.00 50.32 N ATOM 0 H LYS A 90 7.669 -2.549 4.062 1.00 60.42 H new ATOM 0 HA LYS A 90 5.620 -3.602 5.936 1.00 55.01 H new ATOM 0 HB2 LYS A 90 8.516 -2.974 6.414 1.00 40.15 H new ATOM 0 HB3 LYS A 90 7.359 -2.603 7.677 1.00 40.15 H new ATOM 0 HG2 LYS A 90 6.593 -4.876 7.806 1.00 14.44 H new ATOM 0 HG3 LYS A 90 7.343 -5.301 6.280 1.00 14.44 H new ATOM 0 HD2 LYS A 90 8.957 -6.239 7.522 1.00 42.43 H new ATOM 0 HD3 LYS A 90 9.545 -4.607 7.770 1.00 42.43 H new ATOM 0 HE2 LYS A 90 7.428 -5.589 9.651 1.00 60.55 H new ATOM 0 HE3 LYS A 90 9.020 -6.306 9.799 1.00 60.55 H new ATOM 0 HZ1 LYS A 90 8.779 -4.408 11.227 1.00 50.32 H new ATOM 0 HZ2 LYS A 90 9.960 -4.102 10.047 1.00 50.32 H new ATOM 0 HZ3 LYS A 90 8.417 -3.407 9.904 1.00 50.32 H new ATOM 1459 N TRP A 91 4.624 -1.383 5.584 1.00 21.42 N ATOM 1460 CA TRP A 91 3.984 -0.107 5.813 1.00 12.42 C ATOM 1461 C TRP A 91 3.491 -0.113 7.257 1.00 51.22 C ATOM 1462 O TRP A 91 2.436 -0.680 7.561 1.00 14.14 O ATOM 1463 CB TRP A 91 2.814 0.154 4.852 1.00 71.13 C ATOM 1464 CG TRP A 91 3.069 0.740 3.493 1.00 23.23 C ATOM 1465 CD1 TRP A 91 2.100 1.412 2.828 1.00 64.22 C ATOM 1466 CD2 TRP A 91 4.280 0.837 2.654 1.00 3.10 C ATOM 1467 NE1 TRP A 91 2.611 1.947 1.675 1.00 24.45 N ATOM 1468 CE2 TRP A 91 3.927 1.598 1.492 1.00 12.04 C ATOM 1469 CE3 TRP A 91 5.645 0.437 2.753 1.00 32.54 C ATOM 1470 CZ2 TRP A 91 4.838 1.919 0.484 1.00 44.45 C ATOM 1471 CZ3 TRP A 91 6.569 0.775 1.735 1.00 61.31 C ATOM 1472 CH2 TRP A 91 6.168 1.522 0.620 1.00 14.12 C ATOM 0 H TRP A 91 4.006 -2.117 5.238 1.00 21.42 H new ATOM 0 HA TRP A 91 4.701 0.694 5.631 1.00 12.42 H new ATOM 0 HB2 TRP A 91 2.300 -0.796 4.703 1.00 71.13 H new ATOM 0 HB3 TRP A 91 2.117 0.817 5.364 1.00 71.13 H new ATOM 0 HD1 TRP A 91 1.076 1.512 3.157 1.00 64.22 H new ATOM 0 HE1 TRP A 91 2.079 2.533 1.031 1.00 24.45 H new ATOM 0 HE3 TRP A 91 5.977 -0.128 3.611 1.00 32.54 H new ATOM 0 HZ2 TRP A 91 4.517 2.467 -0.389 1.00 44.45 H new ATOM 0 HZ3 TRP A 91 7.596 0.453 1.819 1.00 61.31 H new ATOM 0 HH2 TRP A 91 6.891 1.791 -0.136 1.00 14.12 H new ATOM 1483 N GLU A 92 4.272 0.531 8.122 1.00 41.14 N ATOM 1484 CA GLU A 92 3.880 0.983 9.450 1.00 21.40 C ATOM 1485 C GLU A 92 2.799 2.059 9.274 1.00 71.14 C ATOM 1486 O GLU A 92 2.185 2.144 8.207 1.00 13.33 O ATOM 1487 CB GLU A 92 5.137 1.449 10.232 1.00 65.21 C ATOM 1488 CG GLU A 92 5.132 0.794 11.631 1.00 65.51 C ATOM 1489 CD GLU A 92 6.503 0.850 12.322 1.00 32.21 C ATOM 1490 OE1 GLU A 92 7.007 1.975 12.583 1.00 22.10 O ATOM 1491 OE2 GLU A 92 7.096 -0.239 12.535 1.00 62.45 O ATOM 0 H GLU A 92 5.241 0.761 7.903 1.00 41.14 H new ATOM 0 HA GLU A 92 3.447 0.185 10.053 1.00 21.40 H new ATOM 0 HB2 GLU A 92 6.041 1.172 9.690 1.00 65.21 H new ATOM 0 HB3 GLU A 92 5.141 2.535 10.325 1.00 65.21 H new ATOM 0 HG2 GLU A 92 4.394 1.294 12.258 1.00 65.51 H new ATOM 0 HG3 GLU A 92 4.819 -0.246 11.539 1.00 65.51 H new ATOM 1498 N ASN A 93 2.525 2.853 10.314 1.00 72.50 N ATOM 1499 CA ASN A 93 1.541 3.934 10.214 1.00 62.43 C ATOM 1500 C ASN A 93 2.077 5.365 10.044 1.00 24.32 C ATOM 1501 O ASN A 93 1.522 6.093 9.231 1.00 64.22 O ATOM 1502 CB ASN A 93 0.517 3.807 11.369 1.00 42.20 C ATOM 1503 CG ASN A 93 0.065 5.163 11.904 1.00 61.30 C ATOM 1504 OD1 ASN A 93 0.816 5.816 12.613 1.00 61.34 O ATOM 1505 ND2 ASN A 93 -1.123 5.623 11.562 1.00 2.04 N ATOM 0 H ASN A 93 2.968 2.768 11.229 1.00 72.50 H new ATOM 0 HA ASN A 93 1.050 3.782 9.253 1.00 62.43 H new ATOM 0 HB2 ASN A 93 -0.352 3.250 11.019 1.00 42.20 H new ATOM 0 HB3 ASN A 93 0.960 3.230 12.181 1.00 42.20 H new ATOM 0 HD21 ASN A 93 -1.429 6.539 11.890 1.00 2.04 H new ATOM 0 HD22 ASN A 93 -1.736 5.063 10.969 1.00 2.04 H new ATOM 1512 N ALA A 94 3.155 5.783 10.709 1.00 13.21 N ATOM 1513 CA ALA A 94 3.692 7.152 10.704 1.00 13.44 C ATOM 1514 C ALA A 94 2.792 8.260 11.279 1.00 34.45 C ATOM 1515 O ALA A 94 3.356 9.125 11.950 1.00 74.22 O ATOM 1516 CB ALA A 94 4.174 7.570 9.308 1.00 13.42 C ATOM 0 H ALA A 94 3.704 5.152 11.292 1.00 13.21 H new ATOM 0 HA ALA A 94 4.525 7.072 11.402 1.00 13.44 H new ATOM 0 HB1 ALA A 94 4.563 8.587 9.347 1.00 13.42 H new ATOM 0 HB2 ALA A 94 4.961 6.893 8.977 1.00 13.42 H new ATOM 0 HB3 ALA A 94 3.340 7.527 8.607 1.00 13.42 H new ATOM 1522 N SER A 95 1.479 8.319 11.023 1.00 53.13 N ATOM 1523 CA SER A 95 0.620 9.363 11.579 1.00 2.35 C ATOM 1524 C SER A 95 -0.613 8.738 12.224 1.00 72.41 C ATOM 1525 O SER A 95 -1.671 8.625 11.593 1.00 30.35 O ATOM 1526 CB SER A 95 0.290 10.440 10.546 1.00 22.25 C ATOM 1527 OG SER A 95 -0.311 11.554 11.192 1.00 24.25 O ATOM 0 H SER A 95 0.989 7.649 10.430 1.00 53.13 H new ATOM 0 HA SER A 95 1.163 9.885 12.367 1.00 2.35 H new ATOM 0 HB2 SER A 95 1.198 10.753 10.030 1.00 22.25 H new ATOM 0 HB3 SER A 95 -0.385 10.038 9.790 1.00 22.25 H new ATOM 0 HG SER A 95 -0.520 12.244 10.528 1.00 24.25 H new ATOM 1533 N PRO A 96 -0.547 8.319 13.498 1.00 50.12 N ATOM 1534 CA PRO A 96 -1.713 7.749 14.161 1.00 65.22 C ATOM 1535 C PRO A 96 -2.856 8.770 14.300 1.00 12.01 C ATOM 1536 O PRO A 96 -4.006 8.381 14.511 1.00 4.25 O ATOM 1537 CB PRO A 96 -1.189 7.194 15.484 1.00 41.23 C ATOM 1538 CG PRO A 96 0.042 8.048 15.785 1.00 31.15 C ATOM 1539 CD PRO A 96 0.585 8.422 14.409 1.00 31.55 C ATOM 0 HA PRO A 96 -2.176 6.950 13.581 1.00 65.22 H new ATOM 0 HB2 PRO A 96 -1.935 7.277 16.275 1.00 41.23 H new ATOM 0 HB3 PRO A 96 -0.931 6.138 15.399 1.00 41.23 H new ATOM 0 HG2 PRO A 96 -0.220 8.934 16.364 1.00 31.15 H new ATOM 0 HG3 PRO A 96 0.779 7.494 16.366 1.00 31.15 H new ATOM 0 HD2 PRO A 96 0.995 9.432 14.411 1.00 31.55 H new ATOM 0 HD3 PRO A 96 1.391 7.751 14.110 1.00 31.55 H new ATOM 1547 N LYS A 97 -2.549 10.056 14.100 1.00 34.31 N ATOM 1548 CA LYS A 97 -3.455 11.192 14.171 1.00 74.12 C ATOM 1549 C LYS A 97 -4.139 11.480 12.842 1.00 23.41 C ATOM 1550 O LYS A 97 -5.141 12.197 12.846 1.00 2.15 O ATOM 1551 CB LYS A 97 -2.662 12.440 14.576 1.00 2.32 C ATOM 1552 CG LYS A 97 -1.849 12.198 15.848 1.00 52.12 C ATOM 1553 CD LYS A 97 -1.141 13.472 16.308 1.00 14.42 C ATOM 1554 CE LYS A 97 -0.307 13.160 17.552 1.00 12.02 C ATOM 1555 NZ LYS A 97 -1.162 12.936 18.735 1.00 42.41 N ATOM 0 H LYS A 97 -1.598 10.343 13.870 1.00 34.31 H new ATOM 0 HA LYS A 97 -4.224 10.945 14.903 1.00 74.12 H new ATOM 0 HB2 LYS A 97 -1.993 12.727 13.764 1.00 2.32 H new ATOM 0 HB3 LYS A 97 -3.347 13.273 14.734 1.00 2.32 H new ATOM 0 HG2 LYS A 97 -2.507 11.840 16.640 1.00 52.12 H new ATOM 0 HG3 LYS A 97 -1.112 11.415 15.667 1.00 52.12 H new ATOM 0 HD2 LYS A 97 -0.501 13.855 15.513 1.00 14.42 H new ATOM 0 HD3 LYS A 97 -1.872 14.249 16.531 1.00 14.42 H new ATOM 0 HE2 LYS A 97 0.303 12.275 17.370 1.00 12.02 H new ATOM 0 HE3 LYS A 97 0.378 13.985 17.748 1.00 12.02 H new ATOM 0 HZ1 LYS A 97 -0.568 12.879 19.587 1.00 42.41 H new ATOM 0 HZ2 LYS A 97 -1.833 13.725 18.833 1.00 42.41 H new ATOM 0 HZ3 LYS A 97 -1.688 12.046 18.620 1.00 42.41 H new ATOM 1569 N ASP A 98 -3.598 11.004 11.719 1.00 71.42 N ATOM 1570 CA ASP A 98 -4.331 11.002 10.453 1.00 65.50 C ATOM 1571 C ASP A 98 -5.189 9.740 10.458 1.00 22.44 C ATOM 1572 O ASP A 98 -6.406 9.823 10.303 1.00 34.12 O ATOM 1573 CB ASP A 98 -3.386 11.079 9.239 1.00 65.43 C ATOM 1574 CG ASP A 98 -3.814 12.176 8.258 1.00 42.41 C ATOM 1575 OD1 ASP A 98 -3.738 13.364 8.657 1.00 34.41 O ATOM 1576 OD2 ASP A 98 -4.125 11.880 7.083 1.00 4.25 O ATOM 0 H ASP A 98 -2.657 10.616 11.661 1.00 71.42 H new ATOM 0 HA ASP A 98 -4.961 11.887 10.361 1.00 65.50 H new ATOM 0 HB2 ASP A 98 -2.369 11.272 9.581 1.00 65.43 H new ATOM 0 HB3 ASP A 98 -3.372 10.117 8.726 1.00 65.43 H new ATOM 1581 N GLY A 99 -4.590 8.591 10.794 1.00 1.41 N ATOM 1582 CA GLY A 99 -5.285 7.315 10.905 1.00 1.34 C ATOM 1583 C GLY A 99 -4.856 6.412 9.761 1.00 50.23 C ATOM 1584 O GLY A 99 -5.350 6.546 8.640 1.00 51.50 O ATOM 0 H GLY A 99 -3.593 8.527 10.998 1.00 1.41 H new ATOM 0 HA2 GLY A 99 -5.056 6.844 11.861 1.00 1.34 H new ATOM 0 HA3 GLY A 99 -6.363 7.471 10.877 1.00 1.34 H new ATOM 1588 N ASN A 100 -3.876 5.548 10.019 1.00 42.02 N ATOM 1589 CA ASN A 100 -3.258 4.645 9.056 1.00 10.25 C ATOM 1590 C ASN A 100 -3.008 3.325 9.805 1.00 44.04 C ATOM 1591 O ASN A 100 -2.959 3.348 11.040 1.00 43.43 O ATOM 1592 CB ASN A 100 -1.941 5.228 8.499 1.00 5.21 C ATOM 1593 CG ASN A 100 -1.896 6.751 8.357 1.00 51.40 C ATOM 1594 OD1 ASN A 100 -1.118 7.442 9.006 1.00 44.40 O ATOM 1595 ND2 ASN A 100 -2.767 7.321 7.546 1.00 1.43 N ATOM 0 H ASN A 100 -3.473 5.456 10.952 1.00 42.02 H new ATOM 0 HA ASN A 100 -3.906 4.493 8.193 1.00 10.25 H new ATOM 0 HB2 ASN A 100 -1.124 4.918 9.151 1.00 5.21 H new ATOM 0 HB3 ASN A 100 -1.754 4.785 7.521 1.00 5.21 H new ATOM 0 HD21 ASN A 100 -2.793 8.337 7.459 1.00 1.43 H new ATOM 0 HD22 ASN A 100 -3.414 6.746 7.006 1.00 1.43 H new ATOM 1602 N SER A 101 -2.781 2.211 9.113 1.00 25.24 N ATOM 1603 CA SER A 101 -2.542 0.896 9.713 1.00 3.44 C ATOM 1604 C SER A 101 -1.043 0.566 9.693 1.00 41.10 C ATOM 1605 O SER A 101 -0.322 1.099 8.853 1.00 4.44 O ATOM 1606 CB SER A 101 -3.357 -0.119 8.906 1.00 10.03 C ATOM 1607 OG SER A 101 -3.011 -0.032 7.535 1.00 61.01 O ATOM 0 H SER A 101 -2.757 2.195 8.093 1.00 25.24 H new ATOM 0 HA SER A 101 -2.852 0.874 10.758 1.00 3.44 H new ATOM 0 HB2 SER A 101 -3.167 -1.127 9.275 1.00 10.03 H new ATOM 0 HB3 SER A 101 -4.422 0.072 9.034 1.00 10.03 H new ATOM 0 HG SER A 101 -3.534 -0.684 7.024 1.00 61.01 H new ATOM 1613 N ASP A 102 -0.562 -0.362 10.529 1.00 63.44 N ATOM 1614 CA ASP A 102 0.872 -0.649 10.718 1.00 73.50 C ATOM 1615 C ASP A 102 1.213 -2.126 10.483 1.00 64.42 C ATOM 1616 O ASP A 102 1.783 -2.836 11.313 1.00 34.31 O ATOM 1617 CB ASP A 102 1.398 -0.090 12.057 1.00 53.20 C ATOM 1618 CG ASP A 102 0.524 -0.432 13.260 1.00 32.54 C ATOM 1619 OD1 ASP A 102 0.663 -1.518 13.862 1.00 51.40 O ATOM 1620 OD2 ASP A 102 -0.353 0.398 13.592 1.00 31.31 O ATOM 0 H ASP A 102 -1.167 -0.947 11.105 1.00 63.44 H new ATOM 0 HA ASP A 102 1.415 -0.111 9.941 1.00 73.50 H new ATOM 0 HB2 ASP A 102 2.403 -0.475 12.230 1.00 53.20 H new ATOM 0 HB3 ASP A 102 1.482 0.994 11.978 1.00 53.20 H new ATOM 1625 N LYS A 103 0.954 -2.572 9.259 1.00 22.23 N ATOM 1626 CA LYS A 103 1.006 -3.969 8.819 1.00 11.43 C ATOM 1627 C LYS A 103 2.261 -4.283 8.006 1.00 52.11 C ATOM 1628 O LYS A 103 3.204 -3.490 7.935 1.00 44.32 O ATOM 1629 CB LYS A 103 -0.273 -4.317 8.031 1.00 4.41 C ATOM 1630 CG LYS A 103 -0.343 -3.691 6.632 1.00 34.15 C ATOM 1631 CD LYS A 103 -1.167 -2.391 6.745 1.00 24.51 C ATOM 1632 CE LYS A 103 -0.865 -1.296 5.727 1.00 42.30 C ATOM 1633 NZ LYS A 103 -0.212 -0.124 6.361 1.00 60.52 N ATOM 0 H LYS A 103 0.688 -1.939 8.505 1.00 22.23 H new ATOM 0 HA LYS A 103 1.058 -4.595 9.710 1.00 11.43 H new ATOM 0 HB2 LYS A 103 -0.343 -5.401 7.935 1.00 4.41 H new ATOM 0 HB3 LYS A 103 -1.140 -3.991 8.606 1.00 4.41 H new ATOM 0 HG2 LYS A 103 0.658 -3.479 6.257 1.00 34.15 H new ATOM 0 HG3 LYS A 103 -0.808 -4.380 5.927 1.00 34.15 H new ATOM 0 HD2 LYS A 103 -2.223 -2.650 6.663 1.00 24.51 H new ATOM 0 HD3 LYS A 103 -1.016 -1.979 7.743 1.00 24.51 H new ATOM 0 HE2 LYS A 103 -0.219 -1.694 4.945 1.00 42.30 H new ATOM 0 HE3 LYS A 103 -1.791 -0.981 5.246 1.00 42.30 H new ATOM 0 HZ1 LYS A 103 -0.129 0.645 5.666 1.00 60.52 H new ATOM 0 HZ2 LYS A 103 -0.784 0.198 7.168 1.00 60.52 H new ATOM 0 HZ3 LYS A 103 0.736 -0.393 6.694 1.00 60.52 H new ATOM 1647 N ARG A 104 2.238 -5.428 7.335 1.00 73.24 N ATOM 1648 CA ARG A 104 3.163 -5.860 6.315 1.00 44.35 C ATOM 1649 C ARG A 104 2.357 -6.134 5.030 1.00 64.11 C ATOM 1650 O ARG A 104 1.161 -6.417 5.036 1.00 73.15 O ATOM 1651 CB ARG A 104 3.923 -7.099 6.825 1.00 3.10 C ATOM 1652 CG ARG A 104 4.402 -6.992 8.288 1.00 3.21 C ATOM 1653 CD ARG A 104 5.467 -8.024 8.672 1.00 3.44 C ATOM 1654 NE ARG A 104 4.966 -9.404 8.594 1.00 73.44 N ATOM 1655 CZ ARG A 104 5.419 -10.471 9.262 1.00 74.25 C ATOM 1656 NH1 ARG A 104 6.340 -10.360 10.219 1.00 22.20 N ATOM 1657 NH2 ARG A 104 4.934 -11.662 8.940 1.00 20.11 N ATOM 0 H ARG A 104 1.514 -6.126 7.509 1.00 73.24 H new ATOM 0 HA ARG A 104 3.910 -5.099 6.087 1.00 44.35 H new ATOM 0 HB2 ARG A 104 3.277 -7.972 6.729 1.00 3.10 H new ATOM 0 HB3 ARG A 104 4.787 -7.270 6.183 1.00 3.10 H new ATOM 0 HG2 ARG A 104 4.802 -5.992 8.456 1.00 3.21 H new ATOM 0 HG3 ARG A 104 3.544 -7.107 8.950 1.00 3.21 H new ATOM 0 HD2 ARG A 104 6.328 -7.915 8.013 1.00 3.44 H new ATOM 0 HD3 ARG A 104 5.814 -7.823 9.686 1.00 3.44 H new ATOM 0 HE ARG A 104 4.185 -9.566 7.959 1.00 73.44 H new ATOM 0 HH11 ARG A 104 6.718 -9.444 10.459 1.00 22.20 H new ATOM 0 HH12 ARG A 104 6.667 -11.191 10.711 1.00 22.20 H new ATOM 0 HH21 ARG A 104 4.236 -11.746 8.201 1.00 20.11 H new ATOM 0 HH22 ARG A 104 5.259 -12.495 9.431 1.00 20.11 H new ATOM 1671 N LEU A 105 2.994 -5.914 3.893 1.00 12.10 N ATOM 1672 CA LEU A 105 2.512 -6.167 2.535 1.00 71.15 C ATOM 1673 C LEU A 105 3.395 -7.241 1.889 1.00 75.51 C ATOM 1674 O LEU A 105 4.550 -6.982 1.541 1.00 15.44 O ATOM 1675 CB LEU A 105 2.548 -4.878 1.685 1.00 63.55 C ATOM 1676 CG LEU A 105 1.461 -3.826 1.941 1.00 20.13 C ATOM 1677 CD1 LEU A 105 0.109 -4.233 1.415 1.00 21.44 C ATOM 1678 CD2 LEU A 105 1.501 -3.256 3.352 1.00 54.22 C ATOM 0 H LEU A 105 3.936 -5.523 3.889 1.00 12.10 H new ATOM 0 HA LEU A 105 1.478 -6.509 2.583 1.00 71.15 H new ATOM 0 HB2 LEU A 105 3.517 -4.403 1.837 1.00 63.55 H new ATOM 0 HB3 LEU A 105 2.495 -5.167 0.635 1.00 63.55 H new ATOM 0 HG LEU A 105 1.704 -2.958 1.328 1.00 20.13 H new ATOM 0 HD11 LEU A 105 -0.616 -3.447 1.627 1.00 21.44 H new ATOM 0 HD12 LEU A 105 0.170 -4.389 0.338 1.00 21.44 H new ATOM 0 HD13 LEU A 105 -0.206 -5.158 1.899 1.00 21.44 H new ATOM 0 HD21 LEU A 105 0.707 -2.518 3.469 1.00 54.22 H new ATOM 0 HD22 LEU A 105 1.358 -4.060 4.074 1.00 54.22 H new ATOM 0 HD23 LEU A 105 2.467 -2.781 3.525 1.00 54.22 H new ATOM 1690 N GLU A 106 2.855 -8.438 1.656 1.00 40.34 N ATOM 1691 CA GLU A 106 3.626 -9.625 1.255 1.00 54.23 C ATOM 1692 C GLU A 106 3.511 -9.924 -0.237 1.00 61.53 C ATOM 1693 O GLU A 106 3.391 -11.076 -0.665 1.00 32.10 O ATOM 1694 CB GLU A 106 3.166 -10.838 2.066 1.00 43.02 C ATOM 1695 CG GLU A 106 4.342 -11.781 2.356 1.00 21.13 C ATOM 1696 CD GLU A 106 3.951 -12.989 3.212 1.00 12.31 C ATOM 1697 OE1 GLU A 106 2.841 -13.532 3.035 1.00 72.42 O ATOM 1698 OE2 GLU A 106 4.807 -13.442 4.015 1.00 31.42 O ATOM 0 H GLU A 106 1.854 -8.617 1.741 1.00 40.34 H new ATOM 0 HA GLU A 106 4.676 -9.413 1.459 1.00 54.23 H new ATOM 0 HB2 GLU A 106 2.721 -10.506 3.004 1.00 43.02 H new ATOM 0 HB3 GLU A 106 2.391 -11.374 1.518 1.00 43.02 H new ATOM 0 HG2 GLU A 106 4.758 -12.133 1.412 1.00 21.13 H new ATOM 0 HG3 GLU A 106 5.129 -11.224 2.864 1.00 21.13 H new ATOM 1705 N LYS A 107 3.557 -8.885 -1.066 1.00 73.31 N ATOM 1706 CA LYS A 107 3.276 -9.022 -2.493 1.00 74.01 C ATOM 1707 C LYS A 107 1.898 -9.649 -2.725 1.00 44.33 C ATOM 1708 O LYS A 107 1.050 -9.579 -1.842 1.00 15.31 O ATOM 1709 CB LYS A 107 4.445 -9.785 -3.129 1.00 31.12 C ATOM 1710 CG LYS A 107 4.957 -9.168 -4.445 1.00 2.44 C ATOM 1711 CD LYS A 107 5.611 -7.782 -4.287 1.00 15.44 C ATOM 1712 CE LYS A 107 5.662 -6.982 -5.586 1.00 41.41 C ATOM 1713 NZ LYS A 107 6.700 -7.502 -6.506 1.00 33.14 N ATOM 0 H LYS A 107 3.787 -7.935 -0.773 1.00 73.31 H new ATOM 0 HA LYS A 107 3.211 -8.051 -2.984 1.00 74.01 H new ATOM 0 HB2 LYS A 107 5.268 -9.828 -2.416 1.00 31.12 H new ATOM 0 HB3 LYS A 107 4.134 -10.812 -3.319 1.00 31.12 H new ATOM 0 HG2 LYS A 107 5.681 -9.849 -4.894 1.00 2.44 H new ATOM 0 HG3 LYS A 107 4.123 -9.085 -5.142 1.00 2.44 H new ATOM 0 HD2 LYS A 107 5.059 -7.212 -3.540 1.00 15.44 H new ATOM 0 HD3 LYS A 107 6.625 -7.908 -3.907 1.00 15.44 H new ATOM 0 HE2 LYS A 107 4.689 -7.020 -6.076 1.00 41.41 H new ATOM 0 HE3 LYS A 107 5.865 -5.935 -5.361 1.00 41.41 H new ATOM 0 HZ1 LYS A 107 7.306 -6.719 -6.824 1.00 33.14 H new ATOM 0 HZ2 LYS A 107 7.280 -8.209 -6.011 1.00 33.14 H new ATOM 0 HZ3 LYS A 107 6.244 -7.943 -7.330 1.00 33.14 H new ATOM 1727 N TYR A 108 1.581 -10.082 -3.940 1.00 72.04 N ATOM 1728 CA TYR A 108 0.272 -10.627 -4.284 1.00 24.04 C ATOM 1729 C TYR A 108 0.381 -12.145 -4.299 1.00 55.52 C ATOM 1730 O TYR A 108 0.636 -12.754 -5.340 1.00 0.31 O ATOM 1731 CB TYR A 108 -0.261 -9.991 -5.573 1.00 4.31 C ATOM 1732 CG TYR A 108 -1.766 -10.054 -5.791 1.00 62.32 C ATOM 1733 CD1 TYR A 108 -2.643 -9.602 -4.779 1.00 41.12 C ATOM 1734 CD2 TYR A 108 -2.284 -10.499 -7.027 1.00 61.44 C ATOM 1735 CE1 TYR A 108 -4.035 -9.650 -4.976 1.00 23.02 C ATOM 1736 CE2 TYR A 108 -3.678 -10.526 -7.242 1.00 23.14 C ATOM 1737 CZ TYR A 108 -4.556 -10.109 -6.210 1.00 20.45 C ATOM 1738 OH TYR A 108 -5.907 -10.108 -6.392 1.00 13.35 O ATOM 0 H TYR A 108 2.234 -10.064 -4.724 1.00 72.04 H new ATOM 0 HA TYR A 108 -0.481 -10.374 -3.538 1.00 24.04 H new ATOM 0 HB2 TYR A 108 0.042 -8.944 -5.587 1.00 4.31 H new ATOM 0 HB3 TYR A 108 0.227 -10.475 -6.419 1.00 4.31 H new ATOM 0 HD1 TYR A 108 -2.243 -9.219 -3.852 1.00 41.12 H new ATOM 0 HD2 TYR A 108 -1.612 -10.819 -7.809 1.00 61.44 H new ATOM 0 HE1 TYR A 108 -4.704 -9.338 -4.188 1.00 23.02 H new ATOM 0 HE2 TYR A 108 -4.074 -10.863 -8.188 1.00 23.14 H new ATOM 0 HH TYR A 108 -6.117 -10.449 -7.287 1.00 13.35 H new ATOM 1748 N ASN A 109 0.234 -12.731 -3.107 1.00 42.15 N ATOM 1749 CA ASN A 109 0.176 -14.167 -2.865 1.00 13.24 C ATOM 1750 C ASN A 109 -1.151 -14.631 -3.443 1.00 75.32 C ATOM 1751 O ASN A 109 -2.197 -14.557 -2.797 1.00 13.14 O ATOM 1752 CB ASN A 109 0.283 -14.495 -1.365 1.00 41.41 C ATOM 1753 CG ASN A 109 1.646 -14.215 -0.760 1.00 55.41 C ATOM 1754 OD1 ASN A 109 2.669 -14.159 -1.441 1.00 24.03 O ATOM 1755 ND2 ASN A 109 1.683 -14.089 0.549 1.00 15.32 N ATOM 0 H ASN A 109 0.149 -12.188 -2.248 1.00 42.15 H new ATOM 0 HA ASN A 109 1.015 -14.680 -3.335 1.00 13.24 H new ATOM 0 HB2 ASN A 109 -0.467 -13.918 -0.824 1.00 41.41 H new ATOM 0 HB3 ASN A 109 0.042 -15.548 -1.217 1.00 41.41 H new ATOM 0 HD21 ASN A 109 2.574 -13.941 1.022 1.00 15.32 H new ATOM 0 HD22 ASN A 109 0.820 -14.139 1.091 1.00 15.32 H new ATOM 1762 N ASP A 110 -1.125 -14.954 -4.727 1.00 0.21 N ATOM 1763 CA ASP A 110 -2.309 -15.082 -5.561 1.00 34.04 C ATOM 1764 C ASP A 110 -2.020 -16.002 -6.725 1.00 62.41 C ATOM 1765 O ASP A 110 -2.694 -17.048 -6.831 1.00 15.32 O ATOM 1766 CB ASP A 110 -2.725 -13.701 -6.069 1.00 54.11 C ATOM 1767 CG ASP A 110 -3.941 -13.839 -6.970 1.00 23.33 C ATOM 1768 OD1 ASP A 110 -5.022 -14.138 -6.419 1.00 35.05 O ATOM 1769 OD2 ASP A 110 -3.810 -13.646 -8.204 1.00 60.45 O ATOM 0 H ASP A 110 -0.257 -15.139 -5.230 1.00 0.21 H new ATOM 0 HA ASP A 110 -3.123 -15.507 -4.974 1.00 34.04 H new ATOM 0 HB2 ASP A 110 -2.954 -13.046 -5.228 1.00 54.11 H new ATOM 0 HB3 ASP A 110 -1.903 -13.240 -6.617 1.00 54.11 H new