USER MOD reduce.3.24.130724 H: found=0, std=0, add=966, rem=0, adj=26 USER MOD reduce.3.24.130724 removed 964 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 24 ASN : amide:sc= -0.13 K(o=-1.9,f=-5.9!) USER MOD Set 1.2: A 107 MET CE :methyl 162:sc= -1.74 (180deg=-3.01!) USER MOD Single : A 1 MET CE :methyl -145:sc= -1.07 (180deg=-3.46!) USER MOD Single : A 1 MET N :NH3+ -163:sc= 0.737 (180deg=0.429) USER MOD Single : A 4 THR OG1 : rot 180:sc= 0 USER MOD Single : A 6 THR OG1 : rot 180:sc= 0 USER MOD Single : A 15 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 19 SER OG : rot 180:sc= 0 USER MOD Single : A 29 GLN : amide:sc= -0.0112 X(o=-0.011,f=-0.011) USER MOD Single : A 33 TYR OH : rot 92:sc= -0.0542 USER MOD Single : A 39 GLN : amide:sc= 1.09 K(o=1.1,f=0) USER MOD Single : A 40 SER OG : rot 180:sc= 0 USER MOD Single : A 41 CYS SG : rot 16:sc= 0.234 USER MOD Single : A 43 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 44 THR OG1 : rot 180:sc= 0 USER MOD Single : A 53 GLN : amide:sc= 0 X(o=0,f=-0.13) USER MOD Single : A 55 TYR OH : rot 180:sc= 0 USER MOD Single : A 64 SER OG : rot 180:sc= -0.427 USER MOD Single : A 68 THR OG1 : rot 180:sc= 0 USER MOD Single : A 70 LYS NZ :NH3+ 172:sc= 0 (180deg=-0.0413) USER MOD Single : A 72 THR OG1 : rot 180:sc= 0 USER MOD Single : A 74 SER OG : rot 180:sc= 0 USER MOD Single : A 79 TYR OH : rot -127:sc= 0.384 USER MOD Single : A 80 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 81 GLN : amide:sc= 0 X(o=0,f=-0.24) USER MOD Single : A 84 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 92 TYR OH : rot -149:sc= 0.0145 USER MOD Single : A 93 SER OG : rot 180:sc= 0.122 USER MOD Single : A 95 ASN : amide:sc= -0.151 X(o=-0.15,f=-0.12) USER MOD Single : A 101 LYS NZ :NH3+ -142:sc= 0.0241 (180deg=-0.523) USER MOD Single : A 102 THR OG1 : rot 180:sc= -0.32 USER MOD Single : A 106 THR OG1 : rot 180:sc= 0 USER MOD Single : A 108 THR OG1 : rot 180:sc= 0.00371 USER MOD Single : A 109 ASN : amide:sc= -0.111 X(o=-0.11,f=-0.048) USER MOD Single : A 114 TYR OH : rot 81:sc= 0.372 USER MOD Single : A 117 SER OG : rot 180:sc= 0 USER MOD Single : A 118 GLN : amide:sc= 0.132 K(o=0.13,f=-1.3) USER MOD Single : A 119 GLN :FLIP amide:sc= -1.09 F(o=-3.1!,f=-1.1) USER MOD ----------------------------------------------------------------- ATOM 1 N MET A 1 -5.033 -9.285 -7.389 1.00 43.14 N ATOM 2 CA MET A 1 -5.447 -9.556 -8.781 1.00 72.23 C ATOM 3 C MET A 1 -4.384 -9.296 -9.864 1.00 0.32 C ATOM 4 O MET A 1 -4.746 -9.193 -11.032 1.00 54.43 O ATOM 5 CB MET A 1 -6.753 -8.825 -9.112 1.00 25.34 C ATOM 6 CG MET A 1 -6.605 -7.329 -9.340 1.00 61.40 C ATOM 7 SD MET A 1 -8.159 -6.615 -9.905 1.00 51.23 S ATOM 8 CE MET A 1 -8.411 -5.463 -8.550 1.00 54.31 C ATOM 0 H1 MET A 1 -5.692 -9.752 -6.734 1.00 43.14 H new ATOM 0 H2 MET A 1 -4.073 -9.653 -7.235 1.00 43.14 H new ATOM 0 H3 MET A 1 -5.043 -8.259 -7.217 1.00 43.14 H new ATOM 0 HA MET A 1 -5.601 -10.635 -8.811 1.00 72.23 H new ATOM 0 HB2 MET A 1 -7.188 -9.273 -10.005 1.00 25.34 H new ATOM 0 HB3 MET A 1 -7.460 -8.986 -8.298 1.00 25.34 H new ATOM 0 HG2 MET A 1 -6.291 -6.844 -8.415 1.00 61.40 H new ATOM 0 HG3 MET A 1 -5.824 -7.144 -10.078 1.00 61.40 H new ATOM 0 HE1 MET A 1 -9.476 -5.382 -8.335 1.00 54.31 H new ATOM 0 HE2 MET A 1 -7.888 -5.823 -7.664 1.00 54.31 H new ATOM 0 HE3 MET A 1 -8.021 -4.484 -8.828 1.00 54.31 H new ATOM 18 N GLY A 2 -3.096 -9.172 -9.528 1.00 35.42 N ATOM 19 CA GLY A 2 -2.042 -8.878 -10.501 1.00 3.32 C ATOM 20 C GLY A 2 -2.334 -7.635 -11.336 1.00 25.15 C ATOM 21 O GLY A 2 -2.492 -7.710 -12.555 1.00 74.23 O ATOM 0 H GLY A 2 -2.756 -9.273 -8.572 1.00 35.42 H new ATOM 0 HA2 GLY A 2 -1.097 -8.742 -9.975 1.00 3.32 H new ATOM 0 HA3 GLY A 2 -1.918 -9.734 -11.164 1.00 3.32 H new ATOM 25 N ILE A 3 -2.409 -6.488 -10.661 1.00 73.21 N ATOM 26 CA ILE A 3 -2.533 -5.193 -11.324 1.00 10.04 C ATOM 27 C ILE A 3 -1.123 -4.742 -11.703 1.00 43.40 C ATOM 28 O ILE A 3 -0.149 -5.066 -11.011 1.00 54.11 O ATOM 29 CB ILE A 3 -3.228 -4.154 -10.411 1.00 62.12 C ATOM 30 CG1 ILE A 3 -4.479 -4.744 -9.745 1.00 44.01 C ATOM 31 CG2 ILE A 3 -3.619 -2.866 -11.162 1.00 52.42 C ATOM 32 CD1 ILE A 3 -5.149 -3.738 -8.817 1.00 32.03 C ATOM 0 H ILE A 3 -2.385 -6.432 -9.643 1.00 73.21 H new ATOM 0 HA ILE A 3 -3.157 -5.282 -12.213 1.00 10.04 H new ATOM 0 HB ILE A 3 -2.494 -3.893 -9.649 1.00 62.12 H new ATOM 0 HG12 ILE A 3 -5.186 -5.059 -10.512 1.00 44.01 H new ATOM 0 HG13 ILE A 3 -4.205 -5.635 -9.180 1.00 44.01 H new ATOM 0 HG21 ILE A 3 -4.102 -2.175 -10.472 1.00 52.42 H new ATOM 0 HG22 ILE A 3 -2.725 -2.400 -11.575 1.00 52.42 H new ATOM 0 HG23 ILE A 3 -4.307 -3.111 -11.971 1.00 52.42 H new ATOM 0 HD11 ILE A 3 -6.031 -4.192 -8.364 1.00 32.03 H new ATOM 0 HD12 ILE A 3 -4.450 -3.443 -8.034 1.00 32.03 H new ATOM 0 HD13 ILE A 3 -5.446 -2.858 -9.388 1.00 32.03 H new ATOM 44 N THR A 4 -1.033 -3.939 -12.755 1.00 53.45 N ATOM 45 CA THR A 4 0.143 -3.161 -13.096 1.00 54.30 C ATOM 46 C THR A 4 0.381 -2.121 -11.995 1.00 71.54 C ATOM 47 O THR A 4 -0.553 -1.409 -11.625 1.00 45.03 O ATOM 48 CB THR A 4 -0.119 -2.446 -14.435 1.00 63.44 C ATOM 49 OG1 THR A 4 -0.653 -3.345 -15.397 1.00 52.55 O ATOM 50 CG2 THR A 4 1.155 -1.799 -14.986 1.00 51.54 C ATOM 0 H THR A 4 -1.802 -3.810 -13.413 1.00 53.45 H new ATOM 0 HA THR A 4 1.019 -3.804 -13.185 1.00 54.30 H new ATOM 0 HB THR A 4 -0.849 -1.660 -14.240 1.00 63.44 H new ATOM 0 HG1 THR A 4 -0.812 -2.868 -16.238 1.00 52.55 H new ATOM 0 HG21 THR A 4 0.932 -1.304 -15.931 1.00 51.54 H new ATOM 0 HG22 THR A 4 1.529 -1.066 -14.272 1.00 51.54 H new ATOM 0 HG23 THR A 4 1.912 -2.566 -15.148 1.00 51.54 H new ATOM 58 N ILE A 5 1.617 -1.953 -11.528 1.00 75.11 N ATOM 59 CA ILE A 5 2.034 -0.769 -10.795 1.00 34.25 C ATOM 60 C ILE A 5 3.058 -0.043 -11.646 1.00 1.45 C ATOM 61 O ILE A 5 3.987 -0.668 -12.170 1.00 41.24 O ATOM 62 CB ILE A 5 2.603 -1.141 -9.414 1.00 51.14 C ATOM 63 CG1 ILE A 5 1.641 -1.992 -8.562 1.00 73.24 C ATOM 64 CG2 ILE A 5 3.084 0.107 -8.654 1.00 62.42 C ATOM 65 CD1 ILE A 5 0.439 -1.256 -7.963 1.00 43.35 C ATOM 0 H ILE A 5 2.359 -2.642 -11.651 1.00 75.11 H new ATOM 0 HA ILE A 5 1.180 -0.119 -10.606 1.00 34.25 H new ATOM 0 HB ILE A 5 3.468 -1.777 -9.604 1.00 51.14 H new ATOM 0 HG12 ILE A 5 1.269 -2.810 -9.179 1.00 73.24 H new ATOM 0 HG13 ILE A 5 2.210 -2.440 -7.747 1.00 73.24 H new ATOM 0 HG21 ILE A 5 3.480 -0.189 -7.683 1.00 62.42 H new ATOM 0 HG22 ILE A 5 3.865 0.604 -9.229 1.00 62.42 H new ATOM 0 HG23 ILE A 5 2.247 0.791 -8.512 1.00 62.42 H new ATOM 0 HD11 ILE A 5 -0.165 -1.956 -7.385 1.00 43.35 H new ATOM 0 HD12 ILE A 5 0.790 -0.456 -7.311 1.00 43.35 H new ATOM 0 HD13 ILE A 5 -0.165 -0.832 -8.765 1.00 43.35 H new ATOM 77 N THR A 6 2.916 1.277 -11.717 1.00 31.10 N ATOM 78 CA THR A 6 3.910 2.144 -12.308 1.00 55.31 C ATOM 79 C THR A 6 4.477 3.087 -11.253 1.00 2.34 C ATOM 80 O THR A 6 3.777 3.586 -10.370 1.00 14.11 O ATOM 81 CB THR A 6 3.335 2.862 -13.535 1.00 53.12 C ATOM 82 OG1 THR A 6 2.026 3.370 -13.400 1.00 53.13 O ATOM 83 CG2 THR A 6 3.338 1.901 -14.723 1.00 35.13 C ATOM 0 H THR A 6 2.098 1.772 -11.361 1.00 31.10 H new ATOM 0 HA THR A 6 4.749 1.552 -12.674 1.00 55.31 H new ATOM 0 HB THR A 6 3.982 3.728 -13.674 1.00 53.12 H new ATOM 0 HG1 THR A 6 1.757 3.808 -14.235 1.00 53.13 H new ATOM 0 HG21 THR A 6 2.930 2.405 -15.599 1.00 35.13 H new ATOM 0 HG22 THR A 6 4.359 1.582 -14.930 1.00 35.13 H new ATOM 0 HG23 THR A 6 2.726 1.030 -14.488 1.00 35.13 H new ATOM 91 N ASP A 7 5.778 3.321 -11.370 1.00 3.43 N ATOM 92 CA ASP A 7 6.606 4.186 -10.552 1.00 24.22 C ATOM 93 C ASP A 7 6.108 5.621 -10.579 1.00 33.40 C ATOM 94 O ASP A 7 6.251 6.350 -9.603 1.00 23.21 O ATOM 95 CB ASP A 7 8.033 4.098 -11.084 1.00 4.13 C ATOM 96 CG ASP A 7 8.794 2.886 -10.533 1.00 33.13 C ATOM 97 OD1 ASP A 7 8.212 1.777 -10.505 1.00 42.53 O ATOM 98 OD2 ASP A 7 9.994 3.039 -10.210 1.00 0.13 O ATOM 0 H ASP A 7 6.324 2.870 -12.104 1.00 3.43 H new ATOM 0 HA ASP A 7 6.565 3.862 -9.512 1.00 24.22 H new ATOM 0 HB2 ASP A 7 8.008 4.043 -12.172 1.00 4.13 H new ATOM 0 HB3 ASP A 7 8.571 5.009 -10.823 1.00 4.13 H new ATOM 103 N GLU A 8 5.456 6.018 -11.669 1.00 0.14 N ATOM 104 CA GLU A 8 4.767 7.299 -11.761 1.00 15.10 C ATOM 105 C GLU A 8 3.601 7.351 -10.764 1.00 12.40 C ATOM 106 O GLU A 8 3.461 8.292 -9.981 1.00 63.51 O ATOM 107 CB GLU A 8 4.260 7.440 -13.197 1.00 51.02 C ATOM 108 CG GLU A 8 5.346 7.647 -14.258 1.00 3.12 C ATOM 109 CD GLU A 8 5.992 9.026 -14.188 1.00 15.54 C ATOM 110 OE1 GLU A 8 6.829 9.233 -13.278 1.00 65.01 O ATOM 111 OE2 GLU A 8 5.672 9.879 -15.042 1.00 12.45 O ATOM 0 H GLU A 8 5.391 5.455 -12.517 1.00 0.14 H new ATOM 0 HA GLU A 8 5.441 8.119 -11.514 1.00 15.10 H new ATOM 0 HB2 GLU A 8 3.691 6.546 -13.453 1.00 51.02 H new ATOM 0 HB3 GLU A 8 3.569 8.282 -13.240 1.00 51.02 H new ATOM 0 HG2 GLU A 8 6.116 6.885 -14.136 1.00 3.12 H new ATOM 0 HG3 GLU A 8 4.911 7.505 -15.247 1.00 3.12 H new ATOM 118 N LEU A 9 2.782 6.297 -10.758 1.00 63.01 N ATOM 119 CA LEU A 9 1.617 6.185 -9.889 1.00 23.44 C ATOM 120 C LEU A 9 2.030 6.006 -8.430 1.00 71.04 C ATOM 121 O LEU A 9 1.263 6.314 -7.522 1.00 4.24 O ATOM 122 CB LEU A 9 0.768 4.982 -10.338 1.00 1.43 C ATOM 123 CG LEU A 9 -0.681 5.383 -10.656 1.00 41.31 C ATOM 124 CD1 LEU A 9 -1.318 4.344 -11.579 1.00 51.12 C ATOM 125 CD2 LEU A 9 -1.501 5.547 -9.368 1.00 73.21 C ATOM 0 H LEU A 9 2.914 5.489 -11.366 1.00 63.01 H new ATOM 0 HA LEU A 9 1.037 7.105 -9.965 1.00 23.44 H new ATOM 0 HB2 LEU A 9 1.220 4.529 -11.220 1.00 1.43 H new ATOM 0 HB3 LEU A 9 0.770 4.225 -9.554 1.00 1.43 H new ATOM 0 HG LEU A 9 -0.672 6.346 -11.166 1.00 41.31 H new ATOM 0 HD11 LEU A 9 -2.345 4.635 -11.800 1.00 51.12 H new ATOM 0 HD12 LEU A 9 -0.750 4.285 -12.507 1.00 51.12 H new ATOM 0 HD13 LEU A 9 -1.314 3.371 -11.089 1.00 51.12 H new ATOM 0 HD21 LEU A 9 -2.523 5.831 -9.621 1.00 73.21 H new ATOM 0 HD22 LEU A 9 -1.511 4.604 -8.821 1.00 73.21 H new ATOM 0 HD23 LEU A 9 -1.052 6.322 -8.747 1.00 73.21 H new ATOM 137 N LEU A 10 3.219 5.456 -8.198 1.00 31.30 N ATOM 138 CA LEU A 10 3.838 5.395 -6.892 1.00 71.12 C ATOM 139 C LEU A 10 4.188 6.807 -6.439 1.00 51.41 C ATOM 140 O LEU A 10 3.820 7.183 -5.328 1.00 13.25 O ATOM 141 CB LEU A 10 5.058 4.474 -6.937 1.00 61.02 C ATOM 142 CG LEU A 10 4.651 2.994 -7.068 1.00 40.32 C ATOM 143 CD1 LEU A 10 5.757 2.153 -7.709 1.00 2.11 C ATOM 144 CD2 LEU A 10 4.303 2.443 -5.688 1.00 71.22 C ATOM 0 H LEU A 10 3.785 5.033 -8.934 1.00 31.30 H new ATOM 0 HA LEU A 10 3.148 4.973 -6.161 1.00 71.12 H new ATOM 0 HB2 LEU A 10 5.693 4.752 -7.778 1.00 61.02 H new ATOM 0 HB3 LEU A 10 5.650 4.610 -6.032 1.00 61.02 H new ATOM 0 HG LEU A 10 3.781 2.937 -7.722 1.00 40.32 H new ATOM 0 HD11 LEU A 10 5.429 1.116 -7.783 1.00 2.11 H new ATOM 0 HD12 LEU A 10 5.974 2.537 -8.706 1.00 2.11 H new ATOM 0 HD13 LEU A 10 6.656 2.206 -7.096 1.00 2.11 H new ATOM 0 HD21 LEU A 10 4.014 1.396 -5.777 1.00 71.22 H new ATOM 0 HD22 LEU A 10 5.171 2.526 -5.034 1.00 71.22 H new ATOM 0 HD23 LEU A 10 3.475 3.013 -5.267 1.00 71.22 H new ATOM 156 N TRP A 11 4.868 7.590 -7.284 1.00 54.03 N ATOM 157 CA TRP A 11 5.262 8.961 -6.977 1.00 12.41 C ATOM 158 C TRP A 11 4.087 9.814 -6.532 1.00 14.53 C ATOM 159 O TRP A 11 4.203 10.531 -5.533 1.00 40.51 O ATOM 160 CB TRP A 11 5.987 9.625 -8.152 1.00 21.34 C ATOM 161 CG TRP A 11 7.470 9.519 -8.063 1.00 24.34 C ATOM 162 CD1 TRP A 11 8.278 8.860 -8.918 1.00 34.44 C ATOM 163 CD2 TRP A 11 8.333 10.017 -7.006 1.00 21.54 C ATOM 164 NE1 TRP A 11 9.583 8.922 -8.476 1.00 15.25 N ATOM 165 CE2 TRP A 11 9.659 9.563 -7.256 1.00 24.01 C ATOM 166 CE3 TRP A 11 8.099 10.728 -5.810 1.00 34.35 C ATOM 167 CZ2 TRP A 11 10.688 9.766 -6.328 1.00 30.54 C ATOM 168 CZ3 TRP A 11 9.135 10.950 -4.886 1.00 60.00 C ATOM 169 CH2 TRP A 11 10.427 10.467 -5.143 1.00 21.43 C ATOM 0 H TRP A 11 5.162 7.281 -8.211 1.00 54.03 H new ATOM 0 HA TRP A 11 5.959 8.893 -6.141 1.00 12.41 H new ATOM 0 HB2 TRP A 11 5.652 9.167 -9.083 1.00 21.34 H new ATOM 0 HB3 TRP A 11 5.707 10.677 -8.195 1.00 21.34 H new ATOM 0 HD1 TRP A 11 7.951 8.358 -9.817 1.00 34.44 H new ATOM 0 HE1 TRP A 11 10.384 8.545 -8.982 1.00 15.25 H new ATOM 0 HE3 TRP A 11 7.110 11.107 -5.601 1.00 34.35 H new ATOM 0 HZ2 TRP A 11 11.679 9.384 -6.525 1.00 30.54 H new ATOM 0 HZ3 TRP A 11 8.936 11.494 -3.975 1.00 60.00 H new ATOM 0 HH2 TRP A 11 11.219 10.635 -4.429 1.00 21.43 H new ATOM 180 N ALA A 12 2.965 9.708 -7.243 1.00 63.12 N ATOM 181 CA ALA A 12 1.754 10.473 -6.999 1.00 54.54 C ATOM 182 C ALA A 12 1.296 10.430 -5.531 1.00 21.45 C ATOM 183 O ALA A 12 0.725 11.403 -5.025 1.00 63.12 O ATOM 184 CB ALA A 12 0.675 9.929 -7.937 1.00 41.15 C ATOM 0 H ALA A 12 2.876 9.065 -8.029 1.00 63.12 H new ATOM 0 HA ALA A 12 1.950 11.526 -7.199 1.00 54.54 H new ATOM 0 HB1 ALA A 12 -0.253 10.480 -7.783 1.00 41.15 H new ATOM 0 HB2 ALA A 12 0.999 10.046 -8.971 1.00 41.15 H new ATOM 0 HB3 ALA A 12 0.509 8.873 -7.726 1.00 41.15 H new ATOM 190 N ILE A 13 1.554 9.321 -4.826 1.00 35.42 N ATOM 191 CA ILE A 13 1.193 9.173 -3.425 1.00 52.15 C ATOM 192 C ILE A 13 2.056 10.107 -2.573 1.00 34.20 C ATOM 193 O ILE A 13 1.507 10.800 -1.712 1.00 53.13 O ATOM 194 CB ILE A 13 1.264 7.696 -2.997 1.00 15.31 C ATOM 195 CG1 ILE A 13 0.242 6.860 -3.806 1.00 65.21 C ATOM 196 CG2 ILE A 13 0.962 7.528 -1.497 1.00 31.00 C ATOM 197 CD1 ILE A 13 0.828 5.505 -4.178 1.00 20.05 C ATOM 0 H ILE A 13 2.020 8.504 -5.219 1.00 35.42 H new ATOM 0 HA ILE A 13 0.156 9.472 -3.270 1.00 52.15 H new ATOM 0 HB ILE A 13 2.278 7.347 -3.193 1.00 15.31 H new ATOM 0 HG12 ILE A 13 -0.666 6.720 -3.220 1.00 65.21 H new ATOM 0 HG13 ILE A 13 -0.042 7.399 -4.710 1.00 65.21 H new ATOM 0 HG21 ILE A 13 1.021 6.473 -1.230 1.00 31.00 H new ATOM 0 HG22 ILE A 13 1.691 8.091 -0.914 1.00 31.00 H new ATOM 0 HG23 ILE A 13 -0.040 7.901 -1.284 1.00 31.00 H new ATOM 0 HD11 ILE A 13 0.093 4.934 -4.746 1.00 20.05 H new ATOM 0 HD12 ILE A 13 1.722 5.649 -4.784 1.00 20.05 H new ATOM 0 HD13 ILE A 13 1.089 4.960 -3.271 1.00 20.05 H new ATOM 209 N LEU A 14 3.381 10.142 -2.773 1.00 24.15 N ATOM 210 CA LEU A 14 4.277 10.977 -1.989 1.00 64.01 C ATOM 211 C LEU A 14 3.974 12.463 -2.172 1.00 44.23 C ATOM 212 O LEU A 14 4.003 13.188 -1.181 1.00 42.31 O ATOM 213 CB LEU A 14 5.746 10.724 -2.372 1.00 23.44 C ATOM 214 CG LEU A 14 6.316 9.309 -2.160 1.00 71.34 C ATOM 215 CD1 LEU A 14 5.877 8.651 -0.856 1.00 72.55 C ATOM 216 CD2 LEU A 14 6.068 8.326 -3.291 1.00 61.30 C ATOM 0 H LEU A 14 3.854 9.588 -3.487 1.00 24.15 H new ATOM 0 HA LEU A 14 4.116 10.708 -0.945 1.00 64.01 H new ATOM 0 HB2 LEU A 14 5.865 10.977 -3.426 1.00 23.44 H new ATOM 0 HB3 LEU A 14 6.363 11.421 -1.805 1.00 23.44 H new ATOM 0 HG LEU A 14 7.385 9.517 -2.124 1.00 71.34 H new ATOM 0 HD11 LEU A 14 6.321 7.658 -0.782 1.00 72.55 H new ATOM 0 HD12 LEU A 14 6.206 9.259 -0.013 1.00 72.55 H new ATOM 0 HD13 LEU A 14 4.791 8.565 -0.840 1.00 72.55 H new ATOM 0 HD21 LEU A 14 6.510 7.362 -3.039 1.00 61.30 H new ATOM 0 HD22 LEU A 14 4.995 8.205 -3.439 1.00 61.30 H new ATOM 0 HD23 LEU A 14 6.520 8.704 -4.208 1.00 61.30 H new ATOM 228 N LYS A 15 3.723 12.908 -3.413 1.00 31.43 N ATOM 229 CA LYS A 15 3.594 14.325 -3.772 1.00 3.31 C ATOM 230 C LYS A 15 2.470 14.991 -2.962 1.00 51.42 C ATOM 231 O LYS A 15 2.700 15.532 -1.880 1.00 32.44 O ATOM 232 CB LYS A 15 3.359 14.452 -5.292 1.00 54.32 C ATOM 233 CG LYS A 15 4.472 13.878 -6.173 1.00 31.22 C ATOM 234 CD LYS A 15 5.755 14.702 -6.175 1.00 41.34 C ATOM 235 CE LYS A 15 6.718 14.043 -7.168 1.00 71.22 C ATOM 236 NZ LYS A 15 8.087 14.595 -7.125 1.00 5.52 N ATOM 0 H LYS A 15 3.602 12.280 -4.208 1.00 31.43 H new ATOM 0 HA LYS A 15 4.518 14.848 -3.524 1.00 3.31 H new ATOM 0 HB2 LYS A 15 2.424 13.951 -5.542 1.00 54.32 H new ATOM 0 HB3 LYS A 15 3.231 15.506 -5.537 1.00 54.32 H new ATOM 0 HG2 LYS A 15 4.703 12.868 -5.835 1.00 31.22 H new ATOM 0 HG3 LYS A 15 4.105 13.796 -7.196 1.00 31.22 H new ATOM 0 HD2 LYS A 15 5.550 15.732 -6.465 1.00 41.34 H new ATOM 0 HD3 LYS A 15 6.193 14.733 -5.178 1.00 41.34 H new ATOM 0 HE2 LYS A 15 6.761 12.973 -6.963 1.00 71.22 H new ATOM 0 HE3 LYS A 15 6.321 14.159 -8.176 1.00 71.22 H new ATOM 0 HZ1 LYS A 15 8.682 14.103 -7.822 1.00 5.52 H new ATOM 0 HZ2 LYS A 15 8.059 15.610 -7.349 1.00 5.52 H new ATOM 0 HZ3 LYS A 15 8.485 14.461 -6.174 1.00 5.52 H new ATOM 250 N ASP A 16 1.238 14.890 -3.454 1.00 60.40 N ATOM 251 CA ASP A 16 0.001 15.473 -2.955 1.00 73.41 C ATOM 252 C ASP A 16 -1.169 15.192 -3.911 1.00 72.44 C ATOM 253 O ASP A 16 -2.245 15.771 -3.740 1.00 52.24 O ATOM 254 CB ASP A 16 0.118 16.974 -2.647 1.00 54.23 C ATOM 255 CG ASP A 16 0.496 17.910 -3.798 1.00 62.11 C ATOM 256 OD1 ASP A 16 0.993 17.455 -4.845 1.00 61.30 O ATOM 257 OD2 ASP A 16 0.398 19.142 -3.580 1.00 70.02 O ATOM 0 H ASP A 16 1.067 14.342 -4.297 1.00 60.40 H new ATOM 0 HA ASP A 16 -0.204 14.983 -2.003 1.00 73.41 H new ATOM 0 HB2 ASP A 16 -0.837 17.309 -2.243 1.00 54.23 H new ATOM 0 HB3 ASP A 16 0.859 17.097 -1.857 1.00 54.23 H new ATOM 262 N GLU A 17 -1.000 14.283 -4.879 1.00 60.43 N ATOM 263 CA GLU A 17 -2.036 13.949 -5.854 1.00 34.45 C ATOM 264 C GLU A 17 -3.136 13.169 -5.136 1.00 60.21 C ATOM 265 O GLU A 17 -4.278 13.627 -5.041 1.00 21.04 O ATOM 266 CB GLU A 17 -1.488 13.111 -7.030 1.00 35.03 C ATOM 267 CG GLU A 17 -0.144 13.561 -7.610 1.00 34.12 C ATOM 268 CD GLU A 17 -0.109 15.041 -8.010 1.00 1.51 C ATOM 269 OE1 GLU A 17 -1.159 15.617 -8.372 1.00 63.20 O ATOM 270 OE2 GLU A 17 1.000 15.621 -7.981 1.00 23.33 O ATOM 0 H GLU A 17 -0.135 13.758 -5.005 1.00 60.43 H new ATOM 0 HA GLU A 17 -2.423 14.876 -6.277 1.00 34.45 H new ATOM 0 HB2 GLU A 17 -1.389 12.077 -6.698 1.00 35.03 H new ATOM 0 HB3 GLU A 17 -2.227 13.119 -7.831 1.00 35.03 H new ATOM 0 HG2 GLU A 17 0.639 13.374 -6.876 1.00 34.12 H new ATOM 0 HG3 GLU A 17 0.086 12.952 -8.484 1.00 34.12 H new ATOM 277 N LEU A 18 -2.757 11.988 -4.628 1.00 23.32 N ATOM 278 CA LEU A 18 -3.649 11.075 -3.939 1.00 2.15 C ATOM 279 C LEU A 18 -4.036 11.678 -2.604 1.00 64.22 C ATOM 280 O LEU A 18 -3.278 12.413 -1.958 1.00 21.30 O ATOM 281 CB LEU A 18 -2.993 9.717 -3.652 1.00 3.32 C ATOM 282 CG LEU A 18 -3.024 8.660 -4.757 1.00 14.22 C ATOM 283 CD1 LEU A 18 -4.385 8.042 -5.084 1.00 60.34 C ATOM 284 CD2 LEU A 18 -2.288 9.122 -6.023 1.00 1.21 C ATOM 0 H LEU A 18 -1.799 11.643 -4.692 1.00 23.32 H new ATOM 0 HA LEU A 18 -4.510 10.919 -4.588 1.00 2.15 H new ATOM 0 HB2 LEU A 18 -1.950 9.898 -3.391 1.00 3.32 H new ATOM 0 HB3 LEU A 18 -3.473 9.293 -2.770 1.00 3.32 H new ATOM 0 HG LEU A 18 -2.474 7.831 -4.312 1.00 14.22 H new ATOM 0 HD11 LEU A 18 -4.269 7.309 -5.883 1.00 60.34 H new ATOM 0 HD12 LEU A 18 -4.785 7.551 -4.196 1.00 60.34 H new ATOM 0 HD13 LEU A 18 -5.072 8.825 -5.406 1.00 60.34 H new ATOM 0 HD21 LEU A 18 -2.337 8.338 -6.779 1.00 1.21 H new ATOM 0 HD22 LEU A 18 -2.758 10.027 -6.407 1.00 1.21 H new ATOM 0 HD23 LEU A 18 -1.245 9.329 -5.782 1.00 1.21 H new ATOM 296 N SER A 19 -5.125 11.136 -2.095 1.00 22.23 N ATOM 297 CA SER A 19 -5.776 11.547 -0.853 1.00 75.15 C ATOM 298 C SER A 19 -5.705 10.402 0.153 1.00 61.22 C ATOM 299 O SER A 19 -5.081 9.381 -0.134 1.00 72.34 O ATOM 300 CB SER A 19 -7.211 12.035 -1.138 1.00 12.20 C ATOM 301 OG SER A 19 -7.338 13.393 -0.754 1.00 62.25 O ATOM 0 H SER A 19 -5.607 10.362 -2.552 1.00 22.23 H new ATOM 0 HA SER A 19 -5.256 12.395 -0.408 1.00 75.15 H new ATOM 0 HB2 SER A 19 -7.440 11.924 -2.198 1.00 12.20 H new ATOM 0 HB3 SER A 19 -7.929 11.424 -0.591 1.00 12.20 H new ATOM 0 HG SER A 19 -8.250 13.701 -0.938 1.00 62.25 H new ATOM 307 N ASP A 20 -6.263 10.570 1.350 1.00 63.24 N ATOM 308 CA ASP A 20 -6.298 9.521 2.368 1.00 4.42 C ATOM 309 C ASP A 20 -7.071 8.307 1.845 1.00 20.12 C ATOM 310 O ASP A 20 -6.484 7.242 1.658 1.00 23.44 O ATOM 311 CB ASP A 20 -6.788 10.051 3.736 1.00 24.22 C ATOM 312 CG ASP A 20 -7.976 11.015 3.738 1.00 14.22 C ATOM 313 OD1 ASP A 20 -8.798 10.957 2.790 1.00 61.33 O ATOM 314 OD2 ASP A 20 -8.039 11.841 4.675 1.00 23.32 O ATOM 0 H ASP A 20 -6.706 11.441 1.643 1.00 63.24 H new ATOM 0 HA ASP A 20 -5.281 9.180 2.563 1.00 4.42 H new ATOM 0 HB2 ASP A 20 -7.051 9.193 4.354 1.00 24.22 H new ATOM 0 HB3 ASP A 20 -5.950 10.550 4.223 1.00 24.22 H new ATOM 319 N ALA A 21 -8.362 8.457 1.554 1.00 70.31 N ATOM 320 CA ALA A 21 -9.201 7.369 1.060 1.00 34.21 C ATOM 321 C ALA A 21 -8.822 6.893 -0.355 1.00 52.13 C ATOM 322 O ALA A 21 -9.110 5.760 -0.734 1.00 41.45 O ATOM 323 CB ALA A 21 -10.650 7.839 1.087 1.00 42.02 C ATOM 0 H ALA A 21 -8.857 9.343 1.655 1.00 70.31 H new ATOM 0 HA ALA A 21 -9.050 6.508 1.711 1.00 34.21 H new ATOM 0 HB1 ALA A 21 -11.298 7.042 0.722 1.00 42.02 H new ATOM 0 HB2 ALA A 21 -10.930 8.095 2.109 1.00 42.02 H new ATOM 0 HB3 ALA A 21 -10.760 8.717 0.450 1.00 42.02 H new ATOM 329 N GLU A 22 -8.167 7.745 -1.138 1.00 30.05 N ATOM 330 CA GLU A 22 -7.689 7.438 -2.483 1.00 13.23 C ATOM 331 C GLU A 22 -6.415 6.594 -2.417 1.00 21.42 C ATOM 332 O GLU A 22 -6.310 5.572 -3.087 1.00 74.30 O ATOM 333 CB GLU A 22 -7.438 8.767 -3.197 1.00 2.21 C ATOM 334 CG GLU A 22 -8.671 9.290 -3.933 1.00 22.15 C ATOM 335 CD GLU A 22 -8.650 8.955 -5.430 1.00 51.25 C ATOM 336 OE1 GLU A 22 -8.519 7.765 -5.798 1.00 24.34 O ATOM 337 OE2 GLU A 22 -8.727 9.923 -6.235 1.00 65.41 O ATOM 0 H GLU A 22 -7.947 8.697 -0.845 1.00 30.05 H new ATOM 0 HA GLU A 22 -8.429 6.855 -3.032 1.00 13.23 H new ATOM 0 HB2 GLU A 22 -7.114 9.510 -2.468 1.00 2.21 H new ATOM 0 HB3 GLU A 22 -6.622 8.643 -3.909 1.00 2.21 H new ATOM 0 HG2 GLU A 22 -9.567 8.864 -3.482 1.00 22.15 H new ATOM 0 HG3 GLU A 22 -8.734 10.371 -3.807 1.00 22.15 H new ATOM 344 N ALA A 23 -5.432 6.985 -1.599 1.00 13.33 N ATOM 345 CA ALA A 23 -4.204 6.203 -1.433 1.00 44.03 C ATOM 346 C ALA A 23 -4.518 4.807 -0.886 1.00 61.42 C ATOM 347 O ALA A 23 -3.832 3.842 -1.232 1.00 11.04 O ATOM 348 CB ALA A 23 -3.225 6.928 -0.501 1.00 60.13 C ATOM 0 H ALA A 23 -5.464 7.839 -1.042 1.00 13.33 H new ATOM 0 HA ALA A 23 -3.738 6.094 -2.412 1.00 44.03 H new ATOM 0 HB1 ALA A 23 -2.319 6.332 -0.390 1.00 60.13 H new ATOM 0 HB2 ALA A 23 -2.970 7.899 -0.925 1.00 60.13 H new ATOM 0 HB3 ALA A 23 -3.689 7.069 0.475 1.00 60.13 H new ATOM 354 N ASN A 24 -5.558 4.713 -0.052 1.00 62.21 N ATOM 355 CA ASN A 24 -6.121 3.455 0.434 1.00 32.54 C ATOM 356 C ASN A 24 -6.586 2.614 -0.754 1.00 13.21 C ATOM 357 O ASN A 24 -6.233 1.441 -0.833 1.00 33.50 O ATOM 358 CB ASN A 24 -7.308 3.688 1.381 1.00 53.32 C ATOM 359 CG ASN A 24 -6.980 3.962 2.845 1.00 3.33 C ATOM 360 OD1 ASN A 24 -5.940 3.589 3.383 1.00 31.01 O ATOM 361 ND2 ASN A 24 -7.901 4.612 3.536 1.00 64.31 N ATOM 0 H ASN A 24 -6.043 5.533 0.312 1.00 62.21 H new ATOM 0 HA ASN A 24 -5.342 2.934 0.990 1.00 32.54 H new ATOM 0 HB2 ASN A 24 -7.886 4.530 1.000 1.00 53.32 H new ATOM 0 HB3 ASN A 24 -7.954 2.811 1.337 1.00 53.32 H new ATOM 0 HD21 ASN A 24 -7.752 4.808 4.526 1.00 64.31 H new ATOM 0 HD22 ASN A 24 -8.761 4.917 3.079 1.00 64.31 H new ATOM 368 N ALA A 25 -7.340 3.213 -1.684 1.00 72.22 N ATOM 369 CA ALA A 25 -7.890 2.535 -2.848 1.00 71.34 C ATOM 370 C ALA A 25 -6.817 1.758 -3.596 1.00 45.41 C ATOM 371 O ALA A 25 -6.985 0.553 -3.770 1.00 40.52 O ATOM 372 CB ALA A 25 -8.582 3.517 -3.794 1.00 34.25 C ATOM 0 H ALA A 25 -7.585 4.202 -1.641 1.00 72.22 H new ATOM 0 HA ALA A 25 -8.635 1.829 -2.481 1.00 71.34 H new ATOM 0 HB1 ALA A 25 -8.981 2.976 -4.652 1.00 34.25 H new ATOM 0 HB2 ALA A 25 -9.397 4.015 -3.269 1.00 34.25 H new ATOM 0 HB3 ALA A 25 -7.862 4.261 -4.137 1.00 34.25 H new ATOM 378 N LEU A 26 -5.714 2.412 -3.997 1.00 62.52 N ATOM 379 CA LEU A 26 -4.631 1.776 -4.746 1.00 55.13 C ATOM 380 C LEU A 26 -4.067 0.538 -4.037 1.00 13.22 C ATOM 381 O LEU A 26 -3.620 -0.397 -4.699 1.00 55.33 O ATOM 382 CB LEU A 26 -3.488 2.782 -4.953 1.00 12.13 C ATOM 383 CG LEU A 26 -3.818 4.059 -5.748 1.00 33.22 C ATOM 384 CD1 LEU A 26 -2.544 4.901 -5.849 1.00 44.51 C ATOM 385 CD2 LEU A 26 -4.329 3.745 -7.155 1.00 73.34 C ATOM 0 H LEU A 26 -5.553 3.401 -3.807 1.00 62.52 H new ATOM 0 HA LEU A 26 -5.052 1.455 -5.699 1.00 55.13 H new ATOM 0 HB2 LEU A 26 -3.117 3.080 -3.972 1.00 12.13 H new ATOM 0 HB3 LEU A 26 -2.672 2.268 -5.461 1.00 12.13 H new ATOM 0 HG LEU A 26 -4.610 4.597 -5.226 1.00 33.22 H new ATOM 0 HD11 LEU A 26 -2.754 5.812 -6.409 1.00 44.51 H new ATOM 0 HD12 LEU A 26 -2.200 5.161 -4.848 1.00 44.51 H new ATOM 0 HD13 LEU A 26 -1.770 4.330 -6.362 1.00 44.51 H new ATOM 0 HD21 LEU A 26 -4.549 4.676 -7.678 1.00 73.34 H new ATOM 0 HD22 LEU A 26 -3.567 3.191 -7.704 1.00 73.34 H new ATOM 0 HD23 LEU A 26 -5.236 3.144 -7.087 1.00 73.34 H new ATOM 397 N VAL A 27 -4.085 0.500 -2.706 1.00 23.13 N ATOM 398 CA VAL A 27 -3.641 -0.659 -1.944 1.00 52.52 C ATOM 399 C VAL A 27 -4.720 -1.743 -1.968 1.00 32.11 C ATOM 400 O VAL A 27 -4.415 -2.904 -2.249 1.00 75.13 O ATOM 401 CB VAL A 27 -3.257 -0.202 -0.527 1.00 51.45 C ATOM 402 CG1 VAL A 27 -3.034 -1.384 0.419 1.00 64.14 C ATOM 403 CG2 VAL A 27 -1.993 0.664 -0.607 1.00 5.02 C ATOM 0 H VAL A 27 -4.409 1.275 -2.127 1.00 23.13 H new ATOM 0 HA VAL A 27 -2.754 -1.108 -2.391 1.00 52.52 H new ATOM 0 HB VAL A 27 -4.084 0.379 -0.118 1.00 51.45 H new ATOM 0 HG11 VAL A 27 -2.765 -1.013 1.408 1.00 64.14 H new ATOM 0 HG12 VAL A 27 -3.949 -1.972 0.489 1.00 64.14 H new ATOM 0 HG13 VAL A 27 -2.229 -2.010 0.035 1.00 64.14 H new ATOM 0 HG21 VAL A 27 -1.713 0.993 0.394 1.00 5.02 H new ATOM 0 HG22 VAL A 27 -1.179 0.081 -1.038 1.00 5.02 H new ATOM 0 HG23 VAL A 27 -2.187 1.534 -1.234 1.00 5.02 H new ATOM 413 N TRP A 28 -5.973 -1.378 -1.693 1.00 62.33 N ATOM 414 CA TRP A 28 -7.102 -2.297 -1.640 1.00 25.53 C ATOM 415 C TRP A 28 -7.269 -3.027 -2.980 1.00 54.41 C ATOM 416 O TRP A 28 -7.470 -4.250 -2.996 1.00 24.11 O ATOM 417 CB TRP A 28 -8.352 -1.499 -1.236 1.00 34.41 C ATOM 418 CG TRP A 28 -8.335 -0.820 0.114 1.00 33.40 C ATOM 419 CD1 TRP A 28 -7.445 -1.012 1.122 1.00 55.15 C ATOM 420 CD2 TRP A 28 -9.291 0.158 0.624 1.00 40.03 C ATOM 421 NE1 TRP A 28 -7.785 -0.224 2.206 1.00 13.25 N ATOM 422 CE2 TRP A 28 -8.934 0.494 1.962 1.00 35.40 C ATOM 423 CE3 TRP A 28 -10.451 0.763 0.099 1.00 52.15 C ATOM 424 CZ2 TRP A 28 -9.710 1.351 2.754 1.00 15.14 C ATOM 425 CZ3 TRP A 28 -11.231 1.640 0.877 1.00 51.24 C ATOM 426 CH2 TRP A 28 -10.871 1.926 2.206 1.00 65.34 C ATOM 0 H TRP A 28 -6.233 -0.411 -1.497 1.00 62.33 H new ATOM 0 HA TRP A 28 -6.933 -3.074 -0.895 1.00 25.53 H new ATOM 0 HB2 TRP A 28 -8.525 -0.736 -1.995 1.00 34.41 H new ATOM 0 HB3 TRP A 28 -9.207 -2.175 -1.263 1.00 34.41 H new ATOM 0 HD1 TRP A 28 -6.598 -1.681 1.083 1.00 55.15 H new ATOM 0 HE1 TRP A 28 -7.253 -0.180 3.075 1.00 13.25 H new ATOM 0 HE3 TRP A 28 -10.747 0.550 -0.918 1.00 52.15 H new ATOM 0 HZ2 TRP A 28 -9.420 1.567 3.772 1.00 15.14 H new ATOM 0 HZ3 TRP A 28 -12.112 2.096 0.450 1.00 51.24 H new ATOM 0 HH2 TRP A 28 -11.484 2.585 2.804 1.00 65.34 H new ATOM 437 N GLN A 29 -7.114 -2.305 -4.101 1.00 34.33 N ATOM 438 CA GLN A 29 -7.110 -2.913 -5.427 1.00 14.35 C ATOM 439 C GLN A 29 -5.968 -3.931 -5.542 1.00 50.04 C ATOM 440 O GLN A 29 -6.209 -5.091 -5.887 1.00 44.11 O ATOM 441 CB GLN A 29 -7.136 -1.851 -6.550 1.00 41.12 C ATOM 442 CG GLN A 29 -5.968 -0.884 -6.629 1.00 74.22 C ATOM 443 CD GLN A 29 -5.866 -0.086 -7.928 1.00 1.44 C ATOM 444 OE1 GLN A 29 -4.854 -0.156 -8.620 1.00 32.53 O ATOM 445 NE2 GLN A 29 -6.849 0.716 -8.282 1.00 42.14 N ATOM 0 H GLN A 29 -6.989 -1.293 -4.107 1.00 34.33 H new ATOM 0 HA GLN A 29 -8.034 -3.474 -5.564 1.00 14.35 H new ATOM 0 HB2 GLN A 29 -7.206 -2.373 -7.504 1.00 41.12 H new ATOM 0 HB3 GLN A 29 -8.049 -1.267 -6.439 1.00 41.12 H new ATOM 0 HG2 GLN A 29 -6.041 -0.184 -5.797 1.00 74.22 H new ATOM 0 HG3 GLN A 29 -5.043 -1.445 -6.493 1.00 74.22 H new ATOM 0 HE21 GLN A 29 -7.690 0.775 -7.708 1.00 42.14 H new ATOM 0 HE22 GLN A 29 -6.769 1.278 -9.130 1.00 42.14 H new ATOM 454 N ALA A 30 -4.729 -3.512 -5.257 1.00 41.14 N ATOM 455 CA ALA A 30 -3.535 -4.293 -5.561 1.00 52.51 C ATOM 456 C ALA A 30 -3.424 -5.550 -4.704 1.00 50.53 C ATOM 457 O ALA A 30 -2.894 -6.563 -5.165 1.00 70.02 O ATOM 458 CB ALA A 30 -2.299 -3.428 -5.359 1.00 3.13 C ATOM 0 H ALA A 30 -4.531 -2.618 -4.808 1.00 41.14 H new ATOM 0 HA ALA A 30 -3.611 -4.615 -6.600 1.00 52.51 H new ATOM 0 HB1 ALA A 30 -1.406 -4.011 -5.586 1.00 3.13 H new ATOM 0 HB2 ALA A 30 -2.347 -2.564 -6.022 1.00 3.13 H new ATOM 0 HB3 ALA A 30 -2.258 -3.089 -4.324 1.00 3.13 H new ATOM 464 N LEU A 31 -3.927 -5.497 -3.471 1.00 34.14 N ATOM 465 CA LEU A 31 -4.185 -6.674 -2.659 1.00 62.34 C ATOM 466 C LEU A 31 -5.066 -7.605 -3.486 1.00 1.10 C ATOM 467 O LEU A 31 -4.609 -8.655 -3.947 1.00 12.02 O ATOM 468 CB LEU A 31 -4.867 -6.259 -1.345 1.00 74.21 C ATOM 469 CG LEU A 31 -3.900 -5.775 -0.253 1.00 23.42 C ATOM 470 CD1 LEU A 31 -4.661 -5.025 0.845 1.00 21.20 C ATOM 471 CD2 LEU A 31 -3.123 -6.956 0.347 1.00 71.52 C ATOM 0 H LEU A 31 -4.168 -4.621 -3.007 1.00 34.14 H new ATOM 0 HA LEU A 31 -3.262 -7.188 -2.389 1.00 62.34 H new ATOM 0 HB2 LEU A 31 -5.583 -5.465 -1.557 1.00 74.21 H new ATOM 0 HB3 LEU A 31 -5.435 -7.107 -0.961 1.00 74.21 H new ATOM 0 HG LEU A 31 -3.186 -5.090 -0.710 1.00 23.42 H new ATOM 0 HD11 LEU A 31 -3.960 -4.690 1.610 1.00 21.20 H new ATOM 0 HD12 LEU A 31 -5.167 -4.162 0.413 1.00 21.20 H new ATOM 0 HD13 LEU A 31 -5.399 -5.689 1.295 1.00 21.20 H new ATOM 0 HD21 LEU A 31 -2.444 -6.591 1.118 1.00 71.52 H new ATOM 0 HD22 LEU A 31 -3.823 -7.666 0.787 1.00 71.52 H new ATOM 0 HD23 LEU A 31 -2.549 -7.450 -0.437 1.00 71.52 H new ATOM 483 N GLY A 32 -6.303 -7.175 -3.747 1.00 25.44 N ATOM 484 CA GLY A 32 -7.283 -7.956 -4.481 1.00 42.22 C ATOM 485 C GLY A 32 -8.631 -8.046 -3.792 1.00 22.13 C ATOM 486 O GLY A 32 -9.408 -8.909 -4.180 1.00 32.45 O ATOM 0 H GLY A 32 -6.649 -6.263 -3.448 1.00 25.44 H new ATOM 0 HA2 GLY A 32 -7.419 -7.516 -5.469 1.00 42.22 H new ATOM 0 HA3 GLY A 32 -6.894 -8.963 -4.631 1.00 42.22 H new ATOM 490 N TYR A 33 -8.896 -7.232 -2.766 1.00 62.43 N ATOM 491 CA TYR A 33 -10.180 -7.254 -2.083 1.00 72.54 C ATOM 492 C TYR A 33 -11.274 -6.716 -2.995 1.00 11.42 C ATOM 493 O TYR A 33 -12.370 -7.224 -2.937 1.00 60.30 O ATOM 494 CB TYR A 33 -10.127 -6.437 -0.794 1.00 4.05 C ATOM 495 CG TYR A 33 -9.425 -7.166 0.332 1.00 30.45 C ATOM 496 CD1 TYR A 33 -8.035 -7.024 0.514 1.00 2.41 C ATOM 497 CD2 TYR A 33 -10.181 -7.974 1.206 1.00 73.24 C ATOM 498 CE1 TYR A 33 -7.390 -7.712 1.557 1.00 11.53 C ATOM 499 CE2 TYR A 33 -9.552 -8.606 2.290 1.00 64.44 C ATOM 500 CZ TYR A 33 -8.155 -8.485 2.458 1.00 44.23 C ATOM 501 OH TYR A 33 -7.543 -9.037 3.534 1.00 32.41 O ATOM 0 H TYR A 33 -8.234 -6.551 -2.394 1.00 62.43 H new ATOM 0 HA TYR A 33 -10.408 -8.288 -1.826 1.00 72.54 H new ATOM 0 HB2 TYR A 33 -9.614 -5.495 -0.987 1.00 4.05 H new ATOM 0 HB3 TYR A 33 -11.142 -6.189 -0.484 1.00 4.05 H new ATOM 0 HD1 TYR A 33 -7.466 -6.387 -0.147 1.00 2.41 H new ATOM 0 HD2 TYR A 33 -11.240 -8.106 1.042 1.00 73.24 H new ATOM 0 HE1 TYR A 33 -6.318 -7.650 1.668 1.00 11.53 H new ATOM 0 HE2 TYR A 33 -10.134 -9.183 2.993 1.00 64.44 H new ATOM 0 HH TYR A 33 -7.612 -8.427 4.298 1.00 32.41 H new ATOM 511 N VAL A 34 -10.990 -5.704 -3.818 1.00 71.42 N ATOM 512 CA VAL A 34 -11.844 -5.186 -4.895 1.00 4.42 C ATOM 513 C VAL A 34 -13.328 -5.060 -4.511 1.00 41.13 C ATOM 514 O VAL A 34 -14.060 -6.040 -4.570 1.00 13.31 O ATOM 515 CB VAL A 34 -11.585 -5.890 -6.242 1.00 43.44 C ATOM 516 CG1 VAL A 34 -11.767 -7.409 -6.277 1.00 25.44 C ATOM 517 CG2 VAL A 34 -12.478 -5.290 -7.326 1.00 52.43 C ATOM 0 H VAL A 34 -10.109 -5.194 -3.749 1.00 71.42 H new ATOM 0 HA VAL A 34 -11.538 -4.152 -5.050 1.00 4.42 H new ATOM 0 HB VAL A 34 -10.523 -5.716 -6.414 1.00 43.44 H new ATOM 0 HG11 VAL A 34 -11.555 -7.778 -7.280 1.00 25.44 H new ATOM 0 HG12 VAL A 34 -11.083 -7.874 -5.567 1.00 25.44 H new ATOM 0 HG13 VAL A 34 -12.793 -7.659 -6.008 1.00 25.44 H new ATOM 0 HG21 VAL A 34 -12.288 -5.794 -8.274 1.00 52.43 H new ATOM 0 HG22 VAL A 34 -13.524 -5.421 -7.049 1.00 52.43 H new ATOM 0 HG23 VAL A 34 -12.260 -4.227 -7.430 1.00 52.43 H new ATOM 527 N TRP A 35 -13.786 -3.854 -4.157 1.00 71.34 N ATOM 528 CA TRP A 35 -15.195 -3.607 -3.880 1.00 55.03 C ATOM 529 C TRP A 35 -16.090 -4.183 -4.979 1.00 64.02 C ATOM 530 O TRP A 35 -16.096 -3.679 -6.112 1.00 14.23 O ATOM 531 CB TRP A 35 -15.463 -2.115 -3.734 1.00 54.32 C ATOM 532 CG TRP A 35 -16.906 -1.830 -3.483 1.00 13.54 C ATOM 533 CD1 TRP A 35 -17.826 -1.491 -4.411 1.00 51.23 C ATOM 534 CD2 TRP A 35 -17.652 -2.074 -2.265 1.00 62.35 C ATOM 535 NE1 TRP A 35 -19.071 -1.414 -3.832 1.00 25.41 N ATOM 536 CE2 TRP A 35 -19.031 -1.836 -2.525 1.00 62.02 C ATOM 537 CE3 TRP A 35 -17.295 -2.538 -0.987 1.00 4.41 C ATOM 538 CZ2 TRP A 35 -20.016 -2.066 -1.563 1.00 53.44 C ATOM 539 CZ3 TRP A 35 -18.268 -2.761 -0.003 1.00 40.20 C ATOM 540 CH2 TRP A 35 -19.619 -2.537 -0.305 1.00 12.32 C ATOM 0 H TRP A 35 -13.191 -3.031 -4.057 1.00 71.34 H new ATOM 0 HA TRP A 35 -15.433 -4.108 -2.942 1.00 55.03 H new ATOM 0 HB2 TRP A 35 -14.866 -1.718 -2.913 1.00 54.32 H new ATOM 0 HB3 TRP A 35 -15.143 -1.599 -4.639 1.00 54.32 H new ATOM 0 HD1 TRP A 35 -17.615 -1.307 -5.454 1.00 51.23 H new ATOM 0 HE1 TRP A 35 -19.911 -1.087 -4.309 1.00 25.41 H new ATOM 0 HE3 TRP A 35 -16.256 -2.725 -0.760 1.00 4.41 H new ATOM 0 HZ2 TRP A 35 -21.058 -1.885 -1.783 1.00 53.44 H new ATOM 0 HZ3 TRP A 35 -17.979 -3.103 0.980 1.00 40.20 H new ATOM 0 HH2 TRP A 35 -20.369 -2.732 0.448 1.00 12.32 H new ATOM 551 N ASP A 36 -16.833 -5.236 -4.646 1.00 23.14 N ATOM 552 CA ASP A 36 -17.791 -5.834 -5.551 1.00 5.00 C ATOM 553 C ASP A 36 -19.124 -5.180 -5.295 1.00 33.40 C ATOM 554 O ASP A 36 -19.893 -5.581 -4.424 1.00 60.22 O ATOM 555 CB ASP A 36 -17.898 -7.359 -5.428 1.00 53.03 C ATOM 556 CG ASP A 36 -18.079 -8.037 -6.797 1.00 25.21 C ATOM 557 OD1 ASP A 36 -18.121 -7.383 -7.872 1.00 33.21 O ATOM 558 OD2 ASP A 36 -18.135 -9.287 -6.787 1.00 65.40 O ATOM 0 H ASP A 36 -16.782 -5.694 -3.736 1.00 23.14 H new ATOM 0 HA ASP A 36 -17.450 -5.662 -6.572 1.00 5.00 H new ATOM 0 HB2 ASP A 36 -17.000 -7.748 -4.947 1.00 53.03 H new ATOM 0 HB3 ASP A 36 -18.740 -7.612 -4.784 1.00 53.03 H new ATOM 563 N GLU A 37 -19.411 -4.161 -6.083 1.00 53.45 N ATOM 564 CA GLU A 37 -20.701 -3.499 -6.095 1.00 4.14 C ATOM 565 C GLU A 37 -21.846 -4.474 -6.392 1.00 30.13 C ATOM 566 O GLU A 37 -22.958 -4.249 -5.921 1.00 25.33 O ATOM 567 CB GLU A 37 -20.587 -2.387 -7.125 1.00 51.13 C ATOM 568 CG GLU A 37 -21.908 -1.726 -7.510 1.00 55.30 C ATOM 569 CD GLU A 37 -21.600 -0.351 -8.059 1.00 30.34 C ATOM 570 OE1 GLU A 37 -21.172 -0.286 -9.234 1.00 31.22 O ATOM 571 OE2 GLU A 37 -21.672 0.613 -7.262 1.00 15.52 O ATOM 0 H GLU A 37 -18.743 -3.764 -6.744 1.00 53.45 H new ATOM 0 HA GLU A 37 -20.948 -3.089 -5.116 1.00 4.14 H new ATOM 0 HB2 GLU A 37 -19.914 -1.622 -6.738 1.00 51.13 H new ATOM 0 HB3 GLU A 37 -20.125 -2.792 -8.025 1.00 51.13 H new ATOM 0 HG2 GLU A 37 -22.431 -2.325 -8.255 1.00 55.30 H new ATOM 0 HG3 GLU A 37 -22.564 -1.652 -6.643 1.00 55.30 H new ATOM 578 N ALA A 38 -21.554 -5.575 -7.093 1.00 14.05 N ATOM 579 CA ALA A 38 -22.468 -6.688 -7.312 1.00 24.30 C ATOM 580 C ALA A 38 -22.951 -7.244 -5.985 1.00 51.11 C ATOM 581 O ALA A 38 -24.150 -7.408 -5.769 1.00 24.52 O ATOM 582 CB ALA A 38 -21.760 -7.814 -8.082 1.00 71.44 C ATOM 0 H ALA A 38 -20.645 -5.715 -7.535 1.00 14.05 H new ATOM 0 HA ALA A 38 -23.316 -6.319 -7.889 1.00 24.30 H new ATOM 0 HB1 ALA A 38 -22.454 -8.640 -8.239 1.00 71.44 H new ATOM 0 HB2 ALA A 38 -21.420 -7.437 -9.047 1.00 71.44 H new ATOM 0 HB3 ALA A 38 -20.903 -8.165 -7.507 1.00 71.44 H new ATOM 588 N GLN A 39 -21.987 -7.555 -5.120 1.00 34.10 N ATOM 589 CA GLN A 39 -22.258 -8.224 -3.869 1.00 41.20 C ATOM 590 C GLN A 39 -22.510 -7.196 -2.763 1.00 32.42 C ATOM 591 O GLN A 39 -22.881 -7.574 -1.658 1.00 23.12 O ATOM 592 CB GLN A 39 -21.115 -9.190 -3.533 1.00 21.44 C ATOM 593 CG GLN A 39 -20.925 -10.263 -4.610 1.00 65.14 C ATOM 594 CD GLN A 39 -19.850 -11.276 -4.229 1.00 11.01 C ATOM 595 OE1 GLN A 39 -20.096 -12.211 -3.477 1.00 21.00 O ATOM 596 NE2 GLN A 39 -18.629 -11.117 -4.703 1.00 52.12 N ATOM 0 H GLN A 39 -21.001 -7.347 -5.275 1.00 34.10 H new ATOM 0 HA GLN A 39 -23.166 -8.821 -3.958 1.00 41.20 H new ATOM 0 HB2 GLN A 39 -20.189 -8.627 -3.417 1.00 21.44 H new ATOM 0 HB3 GLN A 39 -21.318 -9.671 -2.576 1.00 21.44 H new ATOM 0 HG2 GLN A 39 -21.869 -10.782 -4.774 1.00 65.14 H new ATOM 0 HG3 GLN A 39 -20.655 -9.786 -5.552 1.00 65.14 H new ATOM 0 HE21 GLN A 39 -18.422 -10.339 -5.329 1.00 52.12 H new ATOM 0 HE22 GLN A 39 -17.892 -11.772 -4.443 1.00 52.12 H new ATOM 605 N SER A 40 -22.335 -5.904 -3.045 1.00 42.33 N ATOM 606 CA SER A 40 -22.193 -4.842 -2.074 1.00 12.44 C ATOM 607 C SER A 40 -21.230 -5.230 -0.942 1.00 50.31 C ATOM 608 O SER A 40 -21.486 -4.898 0.219 1.00 71.24 O ATOM 609 CB SER A 40 -23.568 -4.387 -1.572 1.00 43.24 C ATOM 610 OG SER A 40 -24.452 -4.104 -2.650 1.00 40.24 O ATOM 0 H SER A 40 -22.288 -5.564 -4.005 1.00 42.33 H new ATOM 0 HA SER A 40 -21.734 -3.983 -2.563 1.00 12.44 H new ATOM 0 HB2 SER A 40 -24.000 -5.163 -0.940 1.00 43.24 H new ATOM 0 HB3 SER A 40 -23.454 -3.498 -0.952 1.00 43.24 H new ATOM 0 HG SER A 40 -25.320 -3.818 -2.295 1.00 40.24 H new ATOM 616 N CYS A 41 -20.127 -5.921 -1.255 1.00 33.45 N ATOM 617 CA CYS A 41 -19.150 -6.331 -0.264 1.00 44.31 C ATOM 618 C CYS A 41 -17.759 -6.248 -0.869 1.00 44.53 C ATOM 619 O CYS A 41 -17.578 -6.265 -2.087 1.00 70.13 O ATOM 620 CB CYS A 41 -19.424 -7.769 0.202 1.00 10.30 C ATOM 621 SG CYS A 41 -20.832 -7.854 1.343 1.00 72.25 S ATOM 0 H CYS A 41 -19.895 -6.207 -2.206 1.00 33.45 H new ATOM 0 HA CYS A 41 -19.221 -5.668 0.598 1.00 44.31 H new ATOM 0 HB2 CYS A 41 -19.620 -8.400 -0.665 1.00 10.30 H new ATOM 0 HB3 CYS A 41 -18.535 -8.167 0.692 1.00 10.30 H new ATOM 0 HG CYS A 41 -21.517 -6.752 1.270 1.00 72.25 H new ATOM 627 N TRP A 42 -16.766 -6.238 0.009 1.00 35.12 N ATOM 628 CA TRP A 42 -15.380 -6.482 -0.329 1.00 45.13 C ATOM 629 C TRP A 42 -15.304 -7.926 -0.808 1.00 30.23 C ATOM 630 O TRP A 42 -15.612 -8.837 -0.032 1.00 11.41 O ATOM 631 CB TRP A 42 -14.532 -6.204 0.921 1.00 35.32 C ATOM 632 CG TRP A 42 -14.667 -4.781 1.368 1.00 52.15 C ATOM 633 CD1 TRP A 42 -15.378 -4.322 2.427 1.00 62.41 C ATOM 634 CD2 TRP A 42 -14.169 -3.602 0.674 1.00 74.42 C ATOM 635 NE1 TRP A 42 -15.393 -2.940 2.398 1.00 62.33 N ATOM 636 CE2 TRP A 42 -14.651 -2.444 1.343 1.00 12.22 C ATOM 637 CE3 TRP A 42 -13.388 -3.407 -0.484 1.00 74.13 C ATOM 638 CZ2 TRP A 42 -14.350 -1.154 0.884 1.00 13.00 C ATOM 639 CZ3 TRP A 42 -13.059 -2.116 -0.936 1.00 31.02 C ATOM 640 CH2 TRP A 42 -13.545 -0.987 -0.254 1.00 22.54 C ATOM 0 H TRP A 42 -16.911 -6.054 1.002 1.00 35.12 H new ATOM 0 HA TRP A 42 -14.997 -5.837 -1.119 1.00 45.13 H new ATOM 0 HB2 TRP A 42 -14.839 -6.871 1.727 1.00 35.32 H new ATOM 0 HB3 TRP A 42 -13.485 -6.422 0.708 1.00 35.32 H new ATOM 0 HD1 TRP A 42 -15.856 -4.938 3.174 1.00 62.41 H new ATOM 0 HE1 TRP A 42 -15.890 -2.358 3.072 1.00 62.33 H new ATOM 0 HE3 TRP A 42 -13.035 -4.266 -1.035 1.00 74.13 H new ATOM 0 HZ2 TRP A 42 -14.737 -0.290 1.405 1.00 13.00 H new ATOM 0 HZ3 TRP A 42 -12.433 -1.992 -1.807 1.00 31.02 H new ATOM 0 HH2 TRP A 42 -13.300 0.005 -0.604 1.00 22.54 H new ATOM 651 N LYS A 43 -14.984 -8.173 -2.080 1.00 1.32 N ATOM 652 CA LYS A 43 -14.674 -9.470 -2.597 1.00 33.03 C ATOM 653 C LYS A 43 -13.468 -10.031 -1.843 1.00 53.42 C ATOM 654 O LYS A 43 -12.709 -9.294 -1.216 1.00 1.44 O ATOM 655 CB LYS A 43 -14.380 -9.254 -4.089 1.00 10.13 C ATOM 656 CG LYS A 43 -14.859 -10.470 -4.833 1.00 4.24 C ATOM 657 CD LYS A 43 -14.202 -10.637 -6.201 1.00 4.20 C ATOM 658 CE LYS A 43 -14.839 -9.708 -7.230 1.00 62.24 C ATOM 659 NZ LYS A 43 -14.606 -10.201 -8.604 1.00 72.42 N ATOM 0 H LYS A 43 -14.937 -7.439 -2.786 1.00 1.32 H new ATOM 0 HA LYS A 43 -15.482 -10.191 -2.473 1.00 33.03 H new ATOM 0 HB2 LYS A 43 -14.886 -8.360 -4.452 1.00 10.13 H new ATOM 0 HB3 LYS A 43 -13.313 -9.104 -4.250 1.00 10.13 H new ATOM 0 HG2 LYS A 43 -14.661 -11.357 -4.232 1.00 4.24 H new ATOM 0 HG3 LYS A 43 -15.940 -10.407 -4.962 1.00 4.24 H new ATOM 0 HD2 LYS A 43 -13.136 -10.425 -6.125 1.00 4.20 H new ATOM 0 HD3 LYS A 43 -14.298 -11.671 -6.531 1.00 4.20 H new ATOM 0 HE2 LYS A 43 -15.910 -9.633 -7.043 1.00 62.24 H new ATOM 0 HE3 LYS A 43 -14.426 -8.705 -7.125 1.00 62.24 H new ATOM 0 HZ1 LYS A 43 -15.049 -9.552 -9.285 1.00 72.42 H new ATOM 0 HZ2 LYS A 43 -13.583 -10.250 -8.787 1.00 72.42 H new ATOM 0 HZ3 LYS A 43 -15.022 -11.149 -8.708 1.00 72.42 H new ATOM 673 N THR A 44 -13.227 -11.328 -1.951 1.00 64.11 N ATOM 674 CA THR A 44 -11.983 -11.904 -1.465 1.00 11.12 C ATOM 675 C THR A 44 -11.442 -12.949 -2.446 1.00 72.31 C ATOM 676 O THR A 44 -10.418 -13.557 -2.179 1.00 54.13 O ATOM 677 CB THR A 44 -12.153 -12.381 0.000 1.00 11.15 C ATOM 678 OG1 THR A 44 -13.388 -13.042 0.205 1.00 62.41 O ATOM 679 CG2 THR A 44 -12.110 -11.216 0.997 1.00 23.44 C ATOM 0 H THR A 44 -13.872 -11.999 -2.368 1.00 64.11 H new ATOM 0 HA THR A 44 -11.201 -11.145 -1.428 1.00 11.12 H new ATOM 0 HB THR A 44 -11.319 -13.062 0.171 1.00 11.15 H new ATOM 0 HG1 THR A 44 -13.455 -13.328 1.140 1.00 62.41 H new ATOM 0 HG21 THR A 44 -12.233 -11.599 2.010 1.00 23.44 H new ATOM 0 HG22 THR A 44 -11.151 -10.704 0.917 1.00 23.44 H new ATOM 0 HG23 THR A 44 -12.915 -10.516 0.774 1.00 23.44 H new ATOM 687 N ASP A 45 -12.032 -13.151 -3.625 1.00 64.42 N ATOM 688 CA ASP A 45 -11.565 -14.202 -4.527 1.00 23.31 C ATOM 689 C ASP A 45 -10.166 -13.857 -5.032 1.00 51.41 C ATOM 690 O ASP A 45 -9.309 -14.721 -5.194 1.00 21.24 O ATOM 691 CB ASP A 45 -12.490 -14.313 -5.737 1.00 14.42 C ATOM 692 CG ASP A 45 -13.918 -14.728 -5.406 1.00 41.14 C ATOM 693 OD1 ASP A 45 -14.719 -13.828 -5.064 1.00 62.23 O ATOM 694 OD2 ASP A 45 -14.250 -15.924 -5.558 1.00 3.11 O ATOM 0 H ASP A 45 -12.823 -12.609 -3.973 1.00 64.42 H new ATOM 0 HA ASP A 45 -11.555 -15.145 -3.980 1.00 23.31 H new ATOM 0 HB2 ASP A 45 -12.514 -13.351 -6.249 1.00 14.42 H new ATOM 0 HB3 ASP A 45 -12.068 -15.035 -6.436 1.00 14.42 H new ATOM 699 N LEU A 46 -9.942 -12.569 -5.312 1.00 50.02 N ATOM 700 CA LEU A 46 -8.806 -12.084 -6.072 1.00 63.35 C ATOM 701 C LEU A 46 -7.596 -11.695 -5.203 1.00 52.11 C ATOM 702 O LEU A 46 -6.670 -11.033 -5.704 1.00 23.13 O ATOM 703 CB LEU A 46 -9.276 -10.944 -6.994 1.00 12.23 C ATOM 704 CG LEU A 46 -10.130 -11.386 -8.200 1.00 2.43 C ATOM 705 CD1 LEU A 46 -10.493 -10.174 -9.066 1.00 62.44 C ATOM 706 CD2 LEU A 46 -9.369 -12.378 -9.078 1.00 11.13 C ATOM 0 H LEU A 46 -10.567 -11.823 -5.005 1.00 50.02 H new ATOM 0 HA LEU A 46 -8.429 -12.905 -6.682 1.00 63.35 H new ATOM 0 HB2 LEU A 46 -9.852 -10.233 -6.402 1.00 12.23 H new ATOM 0 HB3 LEU A 46 -8.399 -10.413 -7.365 1.00 12.23 H new ATOM 0 HG LEU A 46 -11.030 -11.858 -7.805 1.00 2.43 H new ATOM 0 HD11 LEU A 46 -11.096 -10.500 -9.914 1.00 62.44 H new ATOM 0 HD12 LEU A 46 -11.061 -9.459 -8.471 1.00 62.44 H new ATOM 0 HD13 LEU A 46 -9.581 -9.701 -9.430 1.00 62.44 H new ATOM 0 HD21 LEU A 46 -9.995 -12.673 -9.920 1.00 11.13 H new ATOM 0 HD22 LEU A 46 -8.457 -11.910 -9.449 1.00 11.13 H new ATOM 0 HD23 LEU A 46 -9.111 -13.260 -8.491 1.00 11.13 H new ATOM 718 N VAL A 47 -7.637 -12.057 -3.921 1.00 22.44 N ATOM 719 CA VAL A 47 -6.692 -11.756 -2.845 1.00 15.31 C ATOM 720 C VAL A 47 -6.115 -13.035 -2.218 1.00 44.14 C ATOM 721 O VAL A 47 -6.704 -14.111 -2.317 1.00 10.01 O ATOM 722 CB VAL A 47 -7.343 -10.711 -1.902 1.00 51.13 C ATOM 723 CG1 VAL A 47 -8.802 -10.889 -1.539 1.00 64.12 C ATOM 724 CG2 VAL A 47 -6.581 -10.458 -0.595 1.00 33.44 C ATOM 0 H VAL A 47 -8.410 -12.625 -3.575 1.00 22.44 H new ATOM 0 HA VAL A 47 -5.785 -11.277 -3.214 1.00 15.31 H new ATOM 0 HB VAL A 47 -7.278 -9.850 -2.567 1.00 51.13 H new ATOM 0 HG11 VAL A 47 -9.113 -10.082 -0.875 1.00 64.12 H new ATOM 0 HG12 VAL A 47 -9.408 -10.867 -2.445 1.00 64.12 H new ATOM 0 HG13 VAL A 47 -8.937 -11.846 -1.035 1.00 64.12 H new ATOM 0 HG21 VAL A 47 -7.112 -9.713 -0.002 1.00 33.44 H new ATOM 0 HG22 VAL A 47 -6.509 -11.387 -0.030 1.00 33.44 H new ATOM 0 HG23 VAL A 47 -5.579 -10.093 -0.823 1.00 33.44 H new ATOM 734 N ALA A 48 -4.927 -12.945 -1.604 1.00 71.02 N ATOM 735 CA ALA A 48 -4.249 -14.101 -1.031 1.00 64.33 C ATOM 736 C ALA A 48 -5.009 -14.613 0.198 1.00 33.11 C ATOM 737 O ALA A 48 -5.489 -13.794 0.994 1.00 33.44 O ATOM 738 CB ALA A 48 -2.823 -13.710 -0.628 1.00 52.52 C ATOM 0 H ALA A 48 -4.416 -12.069 -1.494 1.00 71.02 H new ATOM 0 HA ALA A 48 -4.215 -14.895 -1.777 1.00 64.33 H new ATOM 0 HB1 ALA A 48 -2.316 -14.575 -0.199 1.00 52.52 H new ATOM 0 HB2 ALA A 48 -2.277 -13.368 -1.507 1.00 52.52 H new ATOM 0 HB3 ALA A 48 -2.860 -12.909 0.110 1.00 52.52 H new ATOM 744 N PRO A 49 -5.047 -15.939 0.431 1.00 1.51 N ATOM 745 CA PRO A 49 -5.809 -16.524 1.528 1.00 61.51 C ATOM 746 C PRO A 49 -5.290 -16.052 2.882 1.00 41.14 C ATOM 747 O PRO A 49 -6.083 -15.856 3.798 1.00 12.42 O ATOM 748 CB PRO A 49 -5.722 -18.037 1.344 1.00 63.21 C ATOM 749 CG PRO A 49 -4.432 -18.220 0.557 1.00 33.14 C ATOM 750 CD PRO A 49 -4.388 -16.984 -0.340 1.00 13.14 C ATOM 0 HA PRO A 49 -6.852 -16.206 1.511 1.00 61.51 H new ATOM 0 HB2 PRO A 49 -5.687 -18.557 2.301 1.00 63.21 H new ATOM 0 HB3 PRO A 49 -6.583 -18.426 0.801 1.00 63.21 H new ATOM 0 HG2 PRO A 49 -3.564 -18.271 1.214 1.00 33.14 H new ATOM 0 HG3 PRO A 49 -4.444 -19.140 -0.027 1.00 33.14 H new ATOM 0 HD2 PRO A 49 -3.362 -16.708 -0.583 1.00 13.14 H new ATOM 0 HD3 PRO A 49 -4.902 -17.162 -1.284 1.00 13.14 H new ATOM 758 N GLU A 50 -3.981 -15.800 2.999 1.00 75.11 N ATOM 759 CA GLU A 50 -3.403 -15.298 4.235 1.00 1.41 C ATOM 760 C GLU A 50 -3.962 -13.923 4.613 1.00 25.12 C ATOM 761 O GLU A 50 -4.126 -13.657 5.800 1.00 74.12 O ATOM 762 CB GLU A 50 -1.867 -15.315 4.166 1.00 60.31 C ATOM 763 CG GLU A 50 -1.204 -14.365 3.154 1.00 22.22 C ATOM 764 CD GLU A 50 0.299 -14.670 3.095 1.00 2.03 C ATOM 765 OE1 GLU A 50 1.006 -14.392 4.094 1.00 45.42 O ATOM 766 OE2 GLU A 50 0.784 -15.285 2.117 1.00 53.41 O ATOM 0 H GLU A 50 -3.307 -15.938 2.246 1.00 75.11 H new ATOM 0 HA GLU A 50 -3.697 -15.971 5.041 1.00 1.41 H new ATOM 0 HB2 GLU A 50 -1.481 -15.078 5.157 1.00 60.31 H new ATOM 0 HB3 GLU A 50 -1.549 -16.332 3.935 1.00 60.31 H new ATOM 0 HG2 GLU A 50 -1.653 -14.491 2.169 1.00 22.22 H new ATOM 0 HG3 GLU A 50 -1.367 -13.328 3.448 1.00 22.22 H new ATOM 773 N TRP A 51 -4.280 -13.060 3.646 1.00 65.13 N ATOM 774 CA TRP A 51 -4.861 -11.750 3.906 1.00 23.34 C ATOM 775 C TRP A 51 -6.333 -11.908 4.266 1.00 41.40 C ATOM 776 O TRP A 51 -6.751 -11.576 5.372 1.00 51.43 O ATOM 777 CB TRP A 51 -4.660 -10.841 2.686 1.00 4.14 C ATOM 778 CG TRP A 51 -3.366 -10.103 2.704 1.00 51.34 C ATOM 779 CD1 TRP A 51 -2.209 -10.523 2.156 1.00 62.50 C ATOM 780 CD2 TRP A 51 -3.085 -8.798 3.287 1.00 45.32 C ATOM 781 NE1 TRP A 51 -1.220 -9.590 2.385 1.00 13.14 N ATOM 782 CE2 TRP A 51 -1.701 -8.500 3.081 1.00 15.50 C ATOM 783 CE3 TRP A 51 -3.870 -7.832 3.953 1.00 24.21 C ATOM 784 CZ2 TRP A 51 -1.110 -7.313 3.546 1.00 11.02 C ATOM 785 CZ3 TRP A 51 -3.304 -6.614 4.366 1.00 61.13 C ATOM 786 CH2 TRP A 51 -1.938 -6.353 4.160 1.00 3.43 C ATOM 0 H TRP A 51 -4.139 -13.256 2.655 1.00 65.13 H new ATOM 0 HA TRP A 51 -4.360 -11.279 4.752 1.00 23.34 H new ATOM 0 HB2 TRP A 51 -4.713 -11.445 1.780 1.00 4.14 H new ATOM 0 HB3 TRP A 51 -5.479 -10.123 2.639 1.00 4.14 H new ATOM 0 HD1 TRP A 51 -2.076 -11.450 1.619 1.00 62.50 H new ATOM 0 HE1 TRP A 51 -0.253 -9.693 2.078 1.00 13.14 H new ATOM 0 HE3 TRP A 51 -4.914 -8.031 4.147 1.00 24.21 H new ATOM 0 HZ2 TRP A 51 -0.049 -7.141 3.436 1.00 11.02 H new ATOM 0 HZ3 TRP A 51 -3.924 -5.871 4.846 1.00 61.13 H new ATOM 0 HH2 TRP A 51 -1.520 -5.408 4.475 1.00 3.43 H new ATOM 797 N ARG A 52 -7.120 -12.444 3.334 1.00 64.33 N ATOM 798 CA ARG A 52 -8.580 -12.508 3.415 1.00 41.14 C ATOM 799 C ARG A 52 -9.131 -13.441 4.502 1.00 41.01 C ATOM 800 O ARG A 52 -10.341 -13.650 4.543 1.00 62.21 O ATOM 801 CB ARG A 52 -9.124 -12.884 2.052 1.00 53.03 C ATOM 802 CG ARG A 52 -8.803 -14.327 1.653 1.00 72.02 C ATOM 803 CD ARG A 52 -8.552 -14.302 0.152 1.00 20.44 C ATOM 804 NE ARG A 52 -8.526 -15.616 -0.505 1.00 22.14 N ATOM 805 CZ ARG A 52 -9.589 -16.347 -0.854 1.00 15.25 C ATOM 806 NH1 ARG A 52 -10.805 -16.058 -0.399 1.00 33.30 N ATOM 807 NH2 ARG A 52 -9.426 -17.390 -1.657 1.00 3.33 N ATOM 0 H ARG A 52 -6.750 -12.857 2.478 1.00 64.33 H new ATOM 0 HA ARG A 52 -8.921 -11.517 3.716 1.00 41.14 H new ATOM 0 HB2 ARG A 52 -10.205 -12.744 2.048 1.00 53.03 H new ATOM 0 HB3 ARG A 52 -8.712 -12.207 1.304 1.00 53.03 H new ATOM 0 HG2 ARG A 52 -7.928 -14.694 2.189 1.00 72.02 H new ATOM 0 HG3 ARG A 52 -9.630 -14.993 1.899 1.00 72.02 H new ATOM 0 HD2 ARG A 52 -9.325 -13.695 -0.318 1.00 20.44 H new ATOM 0 HD3 ARG A 52 -7.600 -13.804 -0.032 1.00 20.44 H new ATOM 0 HE ARG A 52 -7.608 -16.008 -0.715 1.00 22.14 H new ATOM 0 HH11 ARG A 52 -10.940 -15.265 0.229 1.00 33.30 H new ATOM 0 HH12 ARG A 52 -11.603 -16.629 -0.678 1.00 33.30 H new ATOM 0 HH21 ARG A 52 -8.496 -17.628 -2.002 1.00 3.33 H new ATOM 0 HH22 ARG A 52 -10.231 -17.955 -1.929 1.00 3.33 H new ATOM 821 N GLN A 53 -8.262 -14.062 5.296 1.00 41.31 N ATOM 822 CA GLN A 53 -8.591 -15.063 6.299 1.00 72.24 C ATOM 823 C GLN A 53 -9.547 -14.542 7.364 1.00 11.22 C ATOM 824 O GLN A 53 -10.540 -15.202 7.661 1.00 52.22 O ATOM 825 CB GLN A 53 -7.276 -15.532 6.944 1.00 32.31 C ATOM 826 CG GLN A 53 -7.024 -17.010 6.666 1.00 61.11 C ATOM 827 CD GLN A 53 -5.551 -17.359 6.833 1.00 5.31 C ATOM 828 OE1 GLN A 53 -4.849 -16.825 7.685 1.00 3.31 O ATOM 829 NE2 GLN A 53 -5.012 -18.255 6.024 1.00 0.03 N ATOM 0 H GLN A 53 -7.261 -13.869 5.253 1.00 41.31 H new ATOM 0 HA GLN A 53 -9.108 -15.889 5.810 1.00 72.24 H new ATOM 0 HB2 GLN A 53 -6.447 -14.940 6.558 1.00 32.31 H new ATOM 0 HB3 GLN A 53 -7.315 -15.363 8.020 1.00 32.31 H new ATOM 0 HG2 GLN A 53 -7.623 -17.618 7.344 1.00 61.11 H new ATOM 0 HG3 GLN A 53 -7.345 -17.252 5.653 1.00 61.11 H new ATOM 0 HE21 GLN A 53 -5.584 -18.707 5.311 1.00 0.03 H new ATOM 0 HE22 GLN A 53 -4.024 -18.494 6.113 1.00 0.03 H new ATOM 838 N ASP A 54 -9.227 -13.389 7.949 1.00 2.34 N ATOM 839 CA ASP A 54 -9.845 -12.888 9.174 1.00 43.32 C ATOM 840 C ASP A 54 -10.204 -11.412 8.989 1.00 31.33 C ATOM 841 O ASP A 54 -10.394 -10.686 9.966 1.00 63.22 O ATOM 842 CB ASP A 54 -8.888 -13.018 10.373 1.00 65.44 C ATOM 843 CG ASP A 54 -8.533 -14.437 10.796 1.00 74.45 C ATOM 844 OD1 ASP A 54 -9.438 -15.284 10.972 1.00 52.33 O ATOM 845 OD2 ASP A 54 -7.327 -14.674 11.035 1.00 54.34 O ATOM 0 H ASP A 54 -8.514 -12.763 7.575 1.00 2.34 H new ATOM 0 HA ASP A 54 -10.738 -13.480 9.373 1.00 43.32 H new ATOM 0 HB2 ASP A 54 -7.965 -12.490 10.134 1.00 65.44 H new ATOM 0 HB3 ASP A 54 -9.335 -12.508 11.226 1.00 65.44 H new ATOM 850 N TYR A 55 -10.195 -10.936 7.743 1.00 53.33 N ATOM 851 CA TYR A 55 -10.283 -9.541 7.335 1.00 40.14 C ATOM 852 C TYR A 55 -11.664 -9.320 6.683 1.00 11.52 C ATOM 853 O TYR A 55 -11.794 -9.369 5.453 1.00 12.40 O ATOM 854 CB TYR A 55 -9.101 -9.184 6.404 1.00 72.50 C ATOM 855 CG TYR A 55 -7.816 -8.770 7.115 1.00 21.23 C ATOM 856 CD1 TYR A 55 -7.176 -9.647 8.015 1.00 43.14 C ATOM 857 CD2 TYR A 55 -7.275 -7.480 6.918 1.00 32.40 C ATOM 858 CE1 TYR A 55 -6.077 -9.223 8.779 1.00 32.21 C ATOM 859 CE2 TYR A 55 -6.171 -7.049 7.678 1.00 63.45 C ATOM 860 CZ TYR A 55 -5.581 -7.912 8.629 1.00 11.45 C ATOM 861 OH TYR A 55 -4.627 -7.452 9.485 1.00 31.53 O ATOM 0 H TYR A 55 -10.121 -11.561 6.941 1.00 53.33 H new ATOM 0 HA TYR A 55 -10.202 -8.870 8.190 1.00 40.14 H new ATOM 0 HB2 TYR A 55 -8.886 -10.044 5.770 1.00 72.50 H new ATOM 0 HB3 TYR A 55 -9.410 -8.373 5.745 1.00 72.50 H new ATOM 0 HD1 TYR A 55 -7.537 -10.660 8.118 1.00 43.14 H new ATOM 0 HD2 TYR A 55 -7.710 -6.821 6.181 1.00 32.40 H new ATOM 0 HE1 TYR A 55 -5.612 -9.900 9.480 1.00 32.21 H new ATOM 0 HE2 TYR A 55 -5.774 -6.055 7.534 1.00 63.45 H new ATOM 0 HH TYR A 55 -4.391 -6.531 9.247 1.00 31.53 H new ATOM 871 N PRO A 56 -12.726 -9.081 7.472 1.00 21.54 N ATOM 872 CA PRO A 56 -14.060 -8.791 6.958 1.00 74.14 C ATOM 873 C PRO A 56 -14.158 -7.392 6.343 1.00 23.22 C ATOM 874 O PRO A 56 -15.087 -7.126 5.587 1.00 15.22 O ATOM 875 CB PRO A 56 -14.991 -8.917 8.164 1.00 32.44 C ATOM 876 CG PRO A 56 -14.101 -8.552 9.348 1.00 73.30 C ATOM 877 CD PRO A 56 -12.747 -9.112 8.926 1.00 73.24 C ATOM 0 HA PRO A 56 -14.323 -9.478 6.154 1.00 74.14 H new ATOM 0 HB2 PRO A 56 -15.845 -8.244 8.083 1.00 32.44 H new ATOM 0 HB3 PRO A 56 -15.389 -9.927 8.259 1.00 32.44 H new ATOM 0 HG2 PRO A 56 -14.062 -7.475 9.510 1.00 73.30 H new ATOM 0 HG3 PRO A 56 -14.455 -9.001 10.276 1.00 73.30 H new ATOM 0 HD2 PRO A 56 -11.934 -8.515 9.339 1.00 73.24 H new ATOM 0 HD3 PRO A 56 -12.615 -10.129 9.295 1.00 73.24 H new ATOM 885 N GLU A 57 -13.196 -6.513 6.603 1.00 20.43 N ATOM 886 CA GLU A 57 -13.209 -5.109 6.232 1.00 20.24 C ATOM 887 C GLU A 57 -11.836 -4.739 5.676 1.00 51.53 C ATOM 888 O GLU A 57 -10.862 -5.448 5.958 1.00 2.35 O ATOM 889 CB GLU A 57 -13.522 -4.254 7.471 1.00 72.05 C ATOM 890 CG GLU A 57 -15.011 -3.917 7.609 1.00 70.22 C ATOM 891 CD GLU A 57 -15.178 -2.445 8.009 1.00 71.24 C ATOM 892 OE1 GLU A 57 -14.859 -2.098 9.171 1.00 74.32 O ATOM 893 OE2 GLU A 57 -15.542 -1.641 7.121 1.00 55.34 O ATOM 0 H GLU A 57 -12.347 -6.777 7.102 1.00 20.43 H new ATOM 0 HA GLU A 57 -13.973 -4.926 5.476 1.00 20.24 H new ATOM 0 HB2 GLU A 57 -13.191 -4.785 8.364 1.00 72.05 H new ATOM 0 HB3 GLU A 57 -12.949 -3.328 7.420 1.00 72.05 H new ATOM 0 HG2 GLU A 57 -15.525 -4.107 6.667 1.00 70.22 H new ATOM 0 HG3 GLU A 57 -15.471 -4.561 8.359 1.00 70.22 H new ATOM 900 N PRO A 58 -11.734 -3.648 4.901 1.00 13.55 N ATOM 901 CA PRO A 58 -10.478 -3.187 4.346 1.00 14.13 C ATOM 902 C PRO A 58 -9.618 -2.578 5.457 1.00 42.01 C ATOM 903 O PRO A 58 -10.142 -2.121 6.475 1.00 32.44 O ATOM 904 CB PRO A 58 -10.861 -2.154 3.291 1.00 35.32 C ATOM 905 CG PRO A 58 -12.170 -1.570 3.802 1.00 11.55 C ATOM 906 CD PRO A 58 -12.813 -2.743 4.536 1.00 21.40 C ATOM 0 HA PRO A 58 -9.888 -3.989 3.904 1.00 14.13 H new ATOM 0 HB2 PRO A 58 -10.095 -1.386 3.189 1.00 35.32 H new ATOM 0 HB3 PRO A 58 -10.985 -2.613 2.310 1.00 35.32 H new ATOM 0 HG2 PRO A 58 -12.001 -0.723 4.467 1.00 11.55 H new ATOM 0 HG3 PRO A 58 -12.798 -1.213 2.985 1.00 11.55 H new ATOM 0 HD2 PRO A 58 -13.347 -2.400 5.422 1.00 21.40 H new ATOM 0 HD3 PRO A 58 -13.541 -3.246 3.900 1.00 21.40 H new ATOM 914 N PRO A 59 -8.292 -2.551 5.283 1.00 22.04 N ATOM 915 CA PRO A 59 -7.400 -1.934 6.242 1.00 3.33 C ATOM 916 C PRO A 59 -7.423 -0.404 6.137 1.00 70.54 C ATOM 917 O PRO A 59 -6.991 0.159 5.126 1.00 61.43 O ATOM 918 CB PRO A 59 -6.026 -2.517 5.920 1.00 32.24 C ATOM 919 CG PRO A 59 -6.096 -2.852 4.435 1.00 31.51 C ATOM 920 CD PRO A 59 -7.545 -3.259 4.253 1.00 11.01 C ATOM 0 HA PRO A 59 -7.694 -2.141 7.271 1.00 3.33 H new ATOM 0 HB2 PRO A 59 -5.231 -1.801 6.129 1.00 32.24 H new ATOM 0 HB3 PRO A 59 -5.821 -3.405 6.518 1.00 32.24 H new ATOM 0 HG2 PRO A 59 -5.835 -1.995 3.814 1.00 31.51 H new ATOM 0 HG3 PRO A 59 -5.412 -3.658 4.169 1.00 31.51 H new ATOM 0 HD2 PRO A 59 -7.903 -2.993 3.259 1.00 11.01 H new ATOM 0 HD3 PRO A 59 -7.664 -4.338 4.357 1.00 11.01 H new ATOM 928 N ASP A 60 -7.830 0.250 7.229 1.00 65.51 N ATOM 929 CA ASP A 60 -7.561 1.658 7.511 1.00 32.15 C ATOM 930 C ASP A 60 -6.052 1.786 7.714 1.00 72.44 C ATOM 931 O ASP A 60 -5.560 1.520 8.815 1.00 70.52 O ATOM 932 CB ASP A 60 -8.261 2.102 8.821 1.00 15.40 C ATOM 933 CG ASP A 60 -9.572 2.858 8.654 1.00 54.22 C ATOM 934 OD1 ASP A 60 -10.123 2.928 7.536 1.00 40.34 O ATOM 935 OD2 ASP A 60 -10.054 3.404 9.676 1.00 1.13 O ATOM 0 H ASP A 60 -8.373 -0.204 7.963 1.00 65.51 H new ATOM 0 HA ASP A 60 -7.928 2.277 6.692 1.00 32.15 H new ATOM 0 HB2 ASP A 60 -8.450 1.216 9.427 1.00 15.40 H new ATOM 0 HB3 ASP A 60 -7.571 2.731 9.383 1.00 15.40 H new ATOM 940 N PHE A 61 -5.270 2.144 6.696 1.00 30.32 N ATOM 941 CA PHE A 61 -3.875 2.494 6.977 1.00 74.20 C ATOM 942 C PHE A 61 -3.806 3.838 7.703 1.00 44.44 C ATOM 943 O PHE A 61 -2.973 4.043 8.586 1.00 21.25 O ATOM 944 CB PHE A 61 -3.025 2.479 5.708 1.00 24.04 C ATOM 945 CG PHE A 61 -2.878 1.076 5.154 1.00 12.50 C ATOM 946 CD1 PHE A 61 -1.904 0.189 5.662 1.00 4.21 C ATOM 947 CD2 PHE A 61 -3.760 0.642 4.149 1.00 1.13 C ATOM 948 CE1 PHE A 61 -1.823 -1.123 5.162 1.00 75.23 C ATOM 949 CE2 PHE A 61 -3.650 -0.655 3.633 1.00 42.42 C ATOM 950 CZ PHE A 61 -2.696 -1.549 4.143 1.00 35.34 C ATOM 0 H PHE A 61 -5.556 2.199 5.718 1.00 30.32 H new ATOM 0 HA PHE A 61 -3.453 1.735 7.636 1.00 74.20 H new ATOM 0 HB2 PHE A 61 -3.481 3.122 4.956 1.00 24.04 H new ATOM 0 HB3 PHE A 61 -2.039 2.891 5.924 1.00 24.04 H new ATOM 0 HD1 PHE A 61 -1.223 0.517 6.433 1.00 4.21 H new ATOM 0 HD2 PHE A 61 -4.523 1.309 3.775 1.00 1.13 H new ATOM 0 HE1 PHE A 61 -1.088 -1.806 5.561 1.00 75.23 H new ATOM 0 HE2 PHE A 61 -4.306 -0.970 2.835 1.00 42.42 H new ATOM 0 HZ PHE A 61 -2.632 -2.556 3.757 1.00 35.34 H new ATOM 960 N ILE A 62 -4.695 4.758 7.334 1.00 11.44 N ATOM 961 CA ILE A 62 -4.695 6.142 7.785 1.00 51.02 C ATOM 962 C ILE A 62 -4.985 6.233 9.289 1.00 73.12 C ATOM 963 O ILE A 62 -4.312 6.987 9.998 1.00 42.51 O ATOM 964 CB ILE A 62 -5.719 6.923 6.932 1.00 20.52 C ATOM 965 CG1 ILE A 62 -5.453 6.820 5.413 1.00 73.11 C ATOM 966 CG2 ILE A 62 -5.807 8.394 7.348 1.00 34.41 C ATOM 967 CD1 ILE A 62 -4.138 7.429 4.907 1.00 13.34 C ATOM 0 H ILE A 62 -5.459 4.550 6.691 1.00 11.44 H new ATOM 0 HA ILE A 62 -3.710 6.588 7.648 1.00 51.02 H new ATOM 0 HB ILE A 62 -6.678 6.444 7.128 1.00 20.52 H new ATOM 0 HG12 ILE A 62 -5.471 5.767 5.134 1.00 73.11 H new ATOM 0 HG13 ILE A 62 -6.277 7.303 4.888 1.00 73.11 H new ATOM 0 HG21 ILE A 62 -6.538 8.906 6.723 1.00 34.41 H new ATOM 0 HG22 ILE A 62 -6.113 8.459 8.392 1.00 34.41 H new ATOM 0 HG23 ILE A 62 -4.832 8.866 7.226 1.00 34.41 H new ATOM 0 HD11 ILE A 62 -4.066 7.294 3.828 1.00 13.34 H new ATOM 0 HD12 ILE A 62 -4.116 8.493 5.142 1.00 13.34 H new ATOM 0 HD13 ILE A 62 -3.297 6.933 5.391 1.00 13.34 H new ATOM 979 N ALA A 63 -5.978 5.491 9.785 1.00 65.41 N ATOM 980 CA ALA A 63 -6.482 5.602 11.152 1.00 42.35 C ATOM 981 C ALA A 63 -6.346 4.280 11.920 1.00 75.43 C ATOM 982 O ALA A 63 -7.146 4.008 12.813 1.00 2.02 O ATOM 983 CB ALA A 63 -7.923 6.129 11.112 1.00 34.22 C ATOM 0 H ALA A 63 -6.463 4.782 9.235 1.00 65.41 H new ATOM 0 HA ALA A 63 -5.874 6.317 11.707 1.00 42.35 H new ATOM 0 HB1 ALA A 63 -8.307 6.215 12.128 1.00 34.22 H new ATOM 0 HB2 ALA A 63 -7.939 7.108 10.634 1.00 34.22 H new ATOM 0 HB3 ALA A 63 -8.547 5.438 10.545 1.00 34.22 H new ATOM 989 N SER A 64 -5.372 3.431 11.576 1.00 74.21 N ATOM 990 CA SER A 64 -5.118 2.182 12.287 1.00 12.52 C ATOM 991 C SER A 64 -3.674 1.718 12.074 1.00 64.02 C ATOM 992 O SER A 64 -2.926 2.404 11.366 1.00 63.14 O ATOM 993 CB SER A 64 -6.179 1.164 11.847 1.00 10.31 C ATOM 994 OG SER A 64 -6.482 0.300 12.910 1.00 14.21 O ATOM 0 H SER A 64 -4.738 3.595 10.794 1.00 74.21 H new ATOM 0 HA SER A 64 -5.210 2.312 13.365 1.00 12.52 H new ATOM 0 HB2 SER A 64 -7.080 1.683 11.521 1.00 10.31 H new ATOM 0 HB3 SER A 64 -5.814 0.591 10.994 1.00 10.31 H new ATOM 0 HG SER A 64 -7.161 -0.346 12.623 1.00 14.21 H new ATOM 1000 N ARG A 65 -3.239 0.601 12.692 1.00 34.01 N ATOM 1001 CA ARG A 65 -2.098 -0.163 12.175 1.00 31.13 C ATOM 1002 C ARG A 65 -2.161 -1.697 12.382 1.00 2.33 C ATOM 1003 O ARG A 65 -1.133 -2.302 12.690 1.00 31.51 O ATOM 1004 CB ARG A 65 -0.788 0.470 12.711 1.00 23.03 C ATOM 1005 CG ARG A 65 -0.577 0.520 14.240 1.00 74.53 C ATOM 1006 CD ARG A 65 0.073 -0.736 14.842 1.00 43.31 C ATOM 1007 NE ARG A 65 0.736 -0.423 16.116 1.00 12.32 N ATOM 1008 CZ ARG A 65 1.566 -1.194 16.826 1.00 73.20 C ATOM 1009 NH1 ARG A 65 1.831 -2.448 16.478 1.00 72.22 N ATOM 1010 NH2 ARG A 65 2.131 -0.684 17.913 1.00 74.14 N ATOM 0 H ARG A 65 -3.658 0.216 13.539 1.00 34.01 H new ATOM 0 HA ARG A 65 -2.133 -0.083 11.088 1.00 31.13 H new ATOM 0 HB2 ARG A 65 0.049 -0.077 12.277 1.00 23.03 H new ATOM 0 HB3 ARG A 65 -0.732 1.491 12.333 1.00 23.03 H new ATOM 0 HG2 ARG A 65 0.044 1.383 14.479 1.00 74.53 H new ATOM 0 HG3 ARG A 65 -1.542 0.679 14.721 1.00 74.53 H new ATOM 0 HD2 ARG A 65 -0.685 -1.503 15.001 1.00 43.31 H new ATOM 0 HD3 ARG A 65 0.799 -1.147 14.140 1.00 43.31 H new ATOM 0 HE ARG A 65 0.538 0.498 16.507 1.00 12.32 H new ATOM 0 HH11 ARG A 65 1.396 -2.849 15.647 1.00 72.22 H new ATOM 0 HH12 ARG A 65 2.469 -3.010 17.042 1.00 72.22 H new ATOM 0 HH21 ARG A 65 1.928 0.276 18.190 1.00 74.14 H new ATOM 0 HH22 ARG A 65 2.768 -1.252 18.471 1.00 74.14 H new ATOM 1024 N PRO A 66 -3.247 -2.400 12.003 1.00 23.34 N ATOM 1025 CA PRO A 66 -3.276 -3.857 11.984 1.00 3.15 C ATOM 1026 C PRO A 66 -2.545 -4.394 10.756 1.00 11.55 C ATOM 1027 O PRO A 66 -1.619 -5.202 10.882 1.00 43.43 O ATOM 1028 CB PRO A 66 -4.753 -4.257 12.013 1.00 72.13 C ATOM 1029 CG PRO A 66 -5.476 -3.058 11.411 1.00 71.51 C ATOM 1030 CD PRO A 66 -4.598 -1.896 11.862 1.00 20.21 C ATOM 0 HA PRO A 66 -2.758 -4.286 12.842 1.00 3.15 H new ATOM 0 HB2 PRO A 66 -4.932 -5.162 11.433 1.00 72.13 H new ATOM 0 HB3 PRO A 66 -5.092 -4.457 13.030 1.00 72.13 H new ATOM 0 HG2 PRO A 66 -5.539 -3.123 10.325 1.00 71.51 H new ATOM 0 HG3 PRO A 66 -6.496 -2.967 11.785 1.00 71.51 H new ATOM 0 HD2 PRO A 66 -4.631 -1.086 11.134 1.00 20.21 H new ATOM 0 HD3 PRO A 66 -4.956 -1.489 12.808 1.00 20.21 H new ATOM 1038 N ALA A 67 -2.928 -3.952 9.557 1.00 40.54 N ATOM 1039 CA ALA A 67 -2.366 -4.469 8.311 1.00 62.21 C ATOM 1040 C ALA A 67 -0.879 -4.172 8.157 1.00 63.13 C ATOM 1041 O ALA A 67 -0.217 -4.853 7.386 1.00 74.10 O ATOM 1042 CB ALA A 67 -3.132 -3.920 7.113 1.00 30.42 C ATOM 0 H ALA A 67 -3.634 -3.228 9.424 1.00 40.54 H new ATOM 0 HA ALA A 67 -2.472 -5.553 8.352 1.00 62.21 H new ATOM 0 HB1 ALA A 67 -2.701 -4.315 6.193 1.00 30.42 H new ATOM 0 HB2 ALA A 67 -4.178 -4.220 7.181 1.00 30.42 H new ATOM 0 HB3 ALA A 67 -3.066 -2.832 7.107 1.00 30.42 H new ATOM 1048 N THR A 68 -0.331 -3.225 8.909 1.00 31.23 N ATOM 1049 CA THR A 68 1.083 -2.900 8.909 1.00 22.45 C ATOM 1050 C THR A 68 1.943 -4.147 9.204 1.00 11.42 C ATOM 1051 O THR A 68 2.996 -4.317 8.590 1.00 71.13 O ATOM 1052 CB THR A 68 1.303 -1.748 9.895 1.00 32.43 C ATOM 1053 OG1 THR A 68 0.492 -0.655 9.532 1.00 21.12 O ATOM 1054 CG2 THR A 68 2.747 -1.243 9.929 1.00 32.22 C ATOM 0 H THR A 68 -0.875 -2.649 9.551 1.00 31.23 H new ATOM 0 HA THR A 68 1.407 -2.569 7.922 1.00 22.45 H new ATOM 0 HB THR A 68 1.052 -2.144 10.879 1.00 32.43 H new ATOM 0 HG1 THR A 68 0.632 0.081 10.164 1.00 21.12 H new ATOM 0 HG21 THR A 68 2.831 -0.428 10.648 1.00 32.22 H new ATOM 0 HG22 THR A 68 3.410 -2.056 10.224 1.00 32.22 H new ATOM 0 HG23 THR A 68 3.030 -0.884 8.939 1.00 32.22 H new ATOM 1062 N VAL A 69 1.477 -5.079 10.040 1.00 3.34 N ATOM 1063 CA VAL A 69 2.206 -6.319 10.282 1.00 23.22 C ATOM 1064 C VAL A 69 2.168 -7.168 9.010 1.00 10.50 C ATOM 1065 O VAL A 69 3.196 -7.662 8.550 1.00 62.25 O ATOM 1066 CB VAL A 69 1.619 -7.068 11.494 1.00 75.32 C ATOM 1067 CG1 VAL A 69 2.508 -8.270 11.847 1.00 51.44 C ATOM 1068 CG2 VAL A 69 1.477 -6.173 12.734 1.00 62.42 C ATOM 0 H VAL A 69 0.602 -4.996 10.557 1.00 3.34 H new ATOM 0 HA VAL A 69 3.246 -6.100 10.524 1.00 23.22 H new ATOM 0 HB VAL A 69 0.621 -7.398 11.206 1.00 75.32 H new ATOM 0 HG11 VAL A 69 2.087 -8.795 12.705 1.00 51.44 H new ATOM 0 HG12 VAL A 69 2.558 -8.948 10.995 1.00 51.44 H new ATOM 0 HG13 VAL A 69 3.511 -7.921 12.092 1.00 51.44 H new ATOM 0 HG21 VAL A 69 1.059 -6.754 13.556 1.00 62.42 H new ATOM 0 HG22 VAL A 69 2.457 -5.791 13.021 1.00 62.42 H new ATOM 0 HG23 VAL A 69 0.815 -5.338 12.506 1.00 62.42 H new ATOM 1078 N LYS A 70 0.984 -7.319 8.414 1.00 25.04 N ATOM 1079 CA LYS A 70 0.772 -8.128 7.222 1.00 12.22 C ATOM 1080 C LYS A 70 1.523 -7.559 6.014 1.00 73.44 C ATOM 1081 O LYS A 70 1.930 -8.319 5.141 1.00 20.43 O ATOM 1082 CB LYS A 70 -0.743 -8.260 6.980 1.00 53.42 C ATOM 1083 CG LYS A 70 -1.148 -9.675 6.534 1.00 63.44 C ATOM 1084 CD LYS A 70 -2.468 -10.120 7.197 1.00 20.11 C ATOM 1085 CE LYS A 70 -2.663 -11.637 7.135 1.00 22.35 C ATOM 1086 NZ LYS A 70 -1.748 -12.390 8.023 1.00 20.11 N ATOM 0 H LYS A 70 0.133 -6.873 8.756 1.00 25.04 H new ATOM 0 HA LYS A 70 1.185 -9.126 7.373 1.00 12.22 H new ATOM 0 HB2 LYS A 70 -1.277 -8.004 7.895 1.00 53.42 H new ATOM 0 HB3 LYS A 70 -1.050 -7.541 6.220 1.00 53.42 H new ATOM 0 HG2 LYS A 70 -1.258 -9.698 5.450 1.00 63.44 H new ATOM 0 HG3 LYS A 70 -0.356 -10.379 6.789 1.00 63.44 H new ATOM 0 HD2 LYS A 70 -2.477 -9.796 8.238 1.00 20.11 H new ATOM 0 HD3 LYS A 70 -3.305 -9.627 6.703 1.00 20.11 H new ATOM 0 HE2 LYS A 70 -3.693 -11.874 7.404 1.00 22.35 H new ATOM 0 HE3 LYS A 70 -2.516 -11.972 6.108 1.00 22.35 H new ATOM 0 HZ1 LYS A 70 -2.023 -13.393 8.034 1.00 20.11 H new ATOM 0 HZ2 LYS A 70 -0.773 -12.302 7.672 1.00 20.11 H new ATOM 0 HZ3 LYS A 70 -1.805 -12.005 8.987 1.00 20.11 H new ATOM 1100 N LEU A 71 1.764 -6.247 5.989 1.00 61.14 N ATOM 1101 CA LEU A 71 2.648 -5.571 5.049 1.00 5.31 C ATOM 1102 C LEU A 71 4.056 -6.149 5.155 1.00 3.21 C ATOM 1103 O LEU A 71 4.617 -6.538 4.137 1.00 64.11 O ATOM 1104 CB LEU A 71 2.639 -4.050 5.314 1.00 1.03 C ATOM 1105 CG LEU A 71 1.866 -3.235 4.270 1.00 53.01 C ATOM 1106 CD1 LEU A 71 0.417 -3.680 4.156 1.00 21.43 C ATOM 1107 CD2 LEU A 71 1.902 -1.738 4.591 1.00 21.34 C ATOM 0 H LEU A 71 1.329 -5.604 6.651 1.00 61.14 H new ATOM 0 HA LEU A 71 2.292 -5.734 4.032 1.00 5.31 H new ATOM 0 HB2 LEU A 71 2.204 -3.866 6.297 1.00 1.03 H new ATOM 0 HB3 LEU A 71 3.668 -3.692 5.349 1.00 1.03 H new ATOM 0 HG LEU A 71 2.364 -3.414 3.317 1.00 53.01 H new ATOM 0 HD11 LEU A 71 -0.091 -3.075 3.405 1.00 21.43 H new ATOM 0 HD12 LEU A 71 0.381 -4.729 3.862 1.00 21.43 H new ATOM 0 HD13 LEU A 71 -0.079 -3.555 5.119 1.00 21.43 H new ATOM 0 HD21 LEU A 71 1.345 -1.190 3.832 1.00 21.34 H new ATOM 0 HD22 LEU A 71 1.451 -1.564 5.568 1.00 21.34 H new ATOM 0 HD23 LEU A 71 2.936 -1.393 4.602 1.00 21.34 H new ATOM 1119 N THR A 72 4.628 -6.237 6.362 1.00 20.05 N ATOM 1120 CA THR A 72 6.001 -6.698 6.585 1.00 34.54 C ATOM 1121 C THR A 72 6.227 -8.104 6.032 1.00 42.34 C ATOM 1122 O THR A 72 7.319 -8.421 5.555 1.00 64.31 O ATOM 1123 CB THR A 72 6.316 -6.634 8.087 1.00 74.23 C ATOM 1124 OG1 THR A 72 6.183 -5.295 8.508 1.00 31.25 O ATOM 1125 CG2 THR A 72 7.735 -7.108 8.385 1.00 74.54 C ATOM 0 H THR A 72 4.142 -5.986 7.223 1.00 20.05 H new ATOM 0 HA THR A 72 6.682 -6.040 6.044 1.00 34.54 H new ATOM 0 HB THR A 72 5.625 -7.289 8.617 1.00 74.23 H new ATOM 0 HG1 THR A 72 6.379 -5.232 9.466 1.00 31.25 H new ATOM 0 HG21 THR A 72 7.921 -7.048 9.457 1.00 74.54 H new ATOM 0 HG22 THR A 72 7.851 -8.140 8.053 1.00 74.54 H new ATOM 0 HG23 THR A 72 8.448 -6.475 7.857 1.00 74.54 H new ATOM 1133 N ARG A 73 5.188 -8.934 6.071 1.00 11.03 N ATOM 1134 CA ARG A 73 5.197 -10.272 5.501 1.00 41.30 C ATOM 1135 C ARG A 73 5.594 -10.259 4.024 1.00 3.42 C ATOM 1136 O ARG A 73 6.203 -11.222 3.570 1.00 22.13 O ATOM 1137 CB ARG A 73 3.828 -10.944 5.676 1.00 61.41 C ATOM 1138 CG ARG A 73 3.295 -10.939 7.119 1.00 45.41 C ATOM 1139 CD ARG A 73 4.150 -11.743 8.097 1.00 74.02 C ATOM 1140 NE ARG A 73 4.065 -13.176 7.809 1.00 55.42 N ATOM 1141 CZ ARG A 73 4.598 -14.177 8.507 1.00 63.51 C ATOM 1142 NH1 ARG A 73 5.475 -13.958 9.484 1.00 43.30 N ATOM 1143 NH2 ARG A 73 4.222 -15.411 8.221 1.00 74.45 N ATOM 0 H ARG A 73 4.300 -8.687 6.509 1.00 11.03 H new ATOM 0 HA ARG A 73 5.948 -10.849 6.041 1.00 41.30 H new ATOM 0 HB2 ARG A 73 3.106 -10.441 5.033 1.00 61.41 H new ATOM 0 HB3 ARG A 73 3.897 -11.976 5.331 1.00 61.41 H new ATOM 0 HG2 ARG A 73 3.232 -9.909 7.469 1.00 45.41 H new ATOM 0 HG3 ARG A 73 2.281 -11.340 7.123 1.00 45.41 H new ATOM 0 HD2 ARG A 73 5.188 -11.416 8.033 1.00 74.02 H new ATOM 0 HD3 ARG A 73 3.818 -11.553 9.118 1.00 74.02 H new ATOM 0 HE ARG A 73 3.536 -13.438 6.977 1.00 55.42 H new ATOM 0 HH11 ARG A 73 5.754 -13.004 9.714 1.00 43.30 H new ATOM 0 HH12 ARG A 73 5.868 -14.744 10.003 1.00 43.30 H new ATOM 0 HH21 ARG A 73 3.540 -15.578 7.481 1.00 74.45 H new ATOM 0 HH22 ARG A 73 4.614 -16.197 8.740 1.00 74.45 H new ATOM 1157 N SER A 74 5.282 -9.201 3.283 1.00 51.23 N ATOM 1158 CA SER A 74 5.589 -9.024 1.869 1.00 4.45 C ATOM 1159 C SER A 74 6.782 -8.079 1.638 1.00 74.15 C ATOM 1160 O SER A 74 7.032 -7.687 0.497 1.00 15.54 O ATOM 1161 CB SER A 74 4.324 -8.526 1.165 1.00 55.33 C ATOM 1162 OG SER A 74 3.376 -9.573 1.089 1.00 25.53 O ATOM 0 H SER A 74 4.782 -8.402 3.674 1.00 51.23 H new ATOM 0 HA SER A 74 5.896 -9.981 1.447 1.00 4.45 H new ATOM 0 HB2 SER A 74 3.903 -7.680 1.709 1.00 55.33 H new ATOM 0 HB3 SER A 74 4.569 -8.171 0.164 1.00 55.33 H new ATOM 0 HG SER A 74 2.567 -9.250 0.639 1.00 25.53 H new ATOM 1168 N ILE A 75 7.545 -7.712 2.673 1.00 22.51 N ATOM 1169 CA ILE A 75 8.679 -6.785 2.568 1.00 10.11 C ATOM 1170 C ILE A 75 9.942 -7.581 2.973 1.00 61.33 C ATOM 1171 O ILE A 75 10.339 -7.557 4.145 1.00 11.35 O ATOM 1172 CB ILE A 75 8.407 -5.538 3.444 1.00 31.53 C ATOM 1173 CG1 ILE A 75 7.147 -4.780 2.971 1.00 31.32 C ATOM 1174 CG2 ILE A 75 9.582 -4.546 3.431 1.00 21.45 C ATOM 1175 CD1 ILE A 75 6.655 -3.760 3.997 1.00 24.10 C ATOM 0 H ILE A 75 7.391 -8.055 3.621 1.00 22.51 H new ATOM 0 HA ILE A 75 8.827 -6.403 1.558 1.00 10.11 H new ATOM 0 HB ILE A 75 8.264 -5.917 4.456 1.00 31.53 H new ATOM 0 HG12 ILE A 75 7.365 -4.270 2.033 1.00 31.32 H new ATOM 0 HG13 ILE A 75 6.352 -5.497 2.767 1.00 31.32 H new ATOM 0 HG21 ILE A 75 9.342 -3.689 4.060 1.00 21.45 H new ATOM 0 HG22 ILE A 75 10.477 -5.037 3.813 1.00 21.45 H new ATOM 0 HG23 ILE A 75 9.761 -4.208 2.410 1.00 21.45 H new ATOM 0 HD11 ILE A 75 5.768 -3.257 3.613 1.00 24.10 H new ATOM 0 HD12 ILE A 75 6.408 -4.270 4.928 1.00 24.10 H new ATOM 0 HD13 ILE A 75 7.438 -3.024 4.183 1.00 24.10 H new ATOM 1187 N PRO A 76 10.566 -8.318 2.040 1.00 42.14 N ATOM 1188 CA PRO A 76 11.720 -9.164 2.305 1.00 45.02 C ATOM 1189 C PRO A 76 12.972 -8.329 2.603 1.00 23.33 C ATOM 1190 O PRO A 76 12.957 -7.100 2.496 1.00 71.21 O ATOM 1191 CB PRO A 76 11.863 -10.027 1.045 1.00 12.34 C ATOM 1192 CG PRO A 76 11.380 -9.109 -0.047 1.00 61.15 C ATOM 1193 CD PRO A 76 10.189 -8.460 0.645 1.00 55.11 C ATOM 0 HA PRO A 76 11.592 -9.782 3.194 1.00 45.02 H new ATOM 0 HB2 PRO A 76 12.895 -10.339 0.884 1.00 12.34 H new ATOM 0 HB3 PRO A 76 11.262 -10.934 1.106 1.00 12.34 H new ATOM 0 HG2 PRO A 76 12.136 -8.381 -0.342 1.00 61.15 H new ATOM 0 HG3 PRO A 76 11.092 -9.651 -0.948 1.00 61.15 H new ATOM 0 HD2 PRO A 76 9.961 -7.491 0.202 1.00 55.11 H new ATOM 0 HD3 PRO A 76 9.295 -9.076 0.543 1.00 55.11 H new ATOM 1201 N ALA A 77 14.070 -8.994 2.979 1.00 1.10 N ATOM 1202 CA ALA A 77 15.346 -8.349 3.295 1.00 11.14 C ATOM 1203 C ALA A 77 15.885 -7.509 2.122 1.00 2.51 C ATOM 1204 O ALA A 77 16.339 -6.386 2.361 1.00 0.41 O ATOM 1205 CB ALA A 77 16.366 -9.402 3.745 1.00 30.25 C ATOM 0 H ALA A 77 14.096 -10.009 3.073 1.00 1.10 H new ATOM 0 HA ALA A 77 15.174 -7.652 4.115 1.00 11.14 H new ATOM 0 HB1 ALA A 77 17.313 -8.915 3.978 1.00 30.25 H new ATOM 0 HB2 ALA A 77 15.993 -9.914 4.632 1.00 30.25 H new ATOM 0 HB3 ALA A 77 16.518 -10.126 2.945 1.00 30.25 H new ATOM 1211 N PRO A 78 15.834 -7.968 0.856 1.00 64.21 N ATOM 1212 CA PRO A 78 16.207 -7.130 -0.283 1.00 31.14 C ATOM 1213 C PRO A 78 15.313 -5.897 -0.486 1.00 60.45 C ATOM 1214 O PRO A 78 15.767 -4.943 -1.114 1.00 5.33 O ATOM 1215 CB PRO A 78 16.194 -8.048 -1.519 1.00 74.43 C ATOM 1216 CG PRO A 78 15.370 -9.257 -1.076 1.00 61.11 C ATOM 1217 CD PRO A 78 15.714 -9.348 0.403 1.00 72.12 C ATOM 0 HA PRO A 78 17.193 -6.702 -0.101 1.00 31.14 H new ATOM 0 HB2 PRO A 78 15.744 -7.552 -2.379 1.00 74.43 H new ATOM 0 HB3 PRO A 78 17.203 -8.339 -1.811 1.00 74.43 H new ATOM 0 HG2 PRO A 78 14.303 -9.105 -1.238 1.00 61.11 H new ATOM 0 HG3 PRO A 78 15.649 -10.161 -1.616 1.00 61.11 H new ATOM 0 HD2 PRO A 78 14.938 -9.877 0.955 1.00 72.12 H new ATOM 0 HD3 PRO A 78 16.644 -9.895 0.557 1.00 72.12 H new ATOM 1225 N TYR A 79 14.082 -5.849 0.044 1.00 21.12 N ATOM 1226 CA TYR A 79 13.081 -4.851 -0.350 1.00 33.43 C ATOM 1227 C TYR A 79 12.557 -4.035 0.839 1.00 24.35 C ATOM 1228 O TYR A 79 11.367 -3.723 0.930 1.00 24.24 O ATOM 1229 CB TYR A 79 11.938 -5.491 -1.135 1.00 42.35 C ATOM 1230 CG TYR A 79 12.298 -6.232 -2.382 1.00 23.00 C ATOM 1231 CD1 TYR A 79 13.330 -5.767 -3.193 1.00 41.20 C ATOM 1232 CD2 TYR A 79 11.541 -7.333 -2.788 1.00 21.15 C ATOM 1233 CE1 TYR A 79 13.622 -6.361 -4.404 1.00 24.21 C ATOM 1234 CE2 TYR A 79 11.799 -7.927 -4.024 1.00 31.31 C ATOM 1235 CZ TYR A 79 12.865 -7.469 -4.829 1.00 62.40 C ATOM 1236 OH TYR A 79 13.086 -8.086 -6.011 1.00 73.32 O ATOM 0 H TYR A 79 13.754 -6.501 0.757 1.00 21.12 H new ATOM 0 HA TYR A 79 13.588 -4.146 -1.008 1.00 33.43 H new ATOM 0 HB2 TYR A 79 11.416 -6.180 -0.471 1.00 42.35 H new ATOM 0 HB3 TYR A 79 11.229 -4.706 -1.401 1.00 42.35 H new ATOM 0 HD1 TYR A 79 13.916 -4.921 -2.866 1.00 41.20 H new ATOM 0 HD2 TYR A 79 10.761 -7.722 -2.150 1.00 21.15 H new ATOM 0 HE1 TYR A 79 14.423 -5.980 -5.019 1.00 24.21 H new ATOM 0 HE2 TYR A 79 11.179 -8.742 -4.367 1.00 31.31 H new ATOM 0 HH TYR A 79 12.248 -8.133 -6.517 1.00 73.32 H new ATOM 1246 N LYS A 80 13.432 -3.652 1.760 1.00 72.41 N ATOM 1247 CA LYS A 80 13.081 -2.795 2.876 1.00 14.41 C ATOM 1248 C LYS A 80 12.963 -1.324 2.456 1.00 3.11 C ATOM 1249 O LYS A 80 12.360 -0.573 3.221 1.00 0.03 O ATOM 1250 CB LYS A 80 14.110 -2.987 4.005 1.00 21.42 C ATOM 1251 CG LYS A 80 14.234 -4.428 4.541 1.00 24.25 C ATOM 1252 CD LYS A 80 12.969 -4.885 5.280 1.00 51.13 C ATOM 1253 CE LYS A 80 13.055 -6.351 5.713 1.00 72.11 C ATOM 1254 NZ LYS A 80 13.862 -6.557 6.934 1.00 61.04 N ATOM 0 H LYS A 80 14.413 -3.932 1.750 1.00 72.41 H new ATOM 0 HA LYS A 80 12.096 -3.082 3.242 1.00 14.41 H new ATOM 0 HB2 LYS A 80 15.087 -2.665 3.644 1.00 21.42 H new ATOM 0 HB3 LYS A 80 13.844 -2.330 4.833 1.00 21.42 H new ATOM 0 HG2 LYS A 80 14.432 -5.106 3.711 1.00 24.25 H new ATOM 0 HG3 LYS A 80 15.088 -4.490 5.215 1.00 24.25 H new ATOM 0 HD2 LYS A 80 12.815 -4.257 6.157 1.00 51.13 H new ATOM 0 HD3 LYS A 80 12.102 -4.748 4.633 1.00 51.13 H new ATOM 0 HE2 LYS A 80 12.048 -6.731 5.884 1.00 72.11 H new ATOM 0 HE3 LYS A 80 13.483 -6.937 4.900 1.00 72.11 H new ATOM 0 HZ1 LYS A 80 13.880 -7.569 7.172 1.00 61.04 H new ATOM 0 HZ2 LYS A 80 14.833 -6.223 6.769 1.00 61.04 H new ATOM 0 HZ3 LYS A 80 13.442 -6.024 7.722 1.00 61.04 H new ATOM 1268 N GLN A 81 13.521 -0.874 1.319 1.00 54.11 N ATOM 1269 CA GLN A 81 13.597 0.559 1.012 1.00 73.45 C ATOM 1270 C GLN A 81 13.520 0.975 -0.463 1.00 35.21 C ATOM 1271 O GLN A 81 14.121 1.989 -0.830 1.00 75.12 O ATOM 1272 CB GLN A 81 14.711 1.224 1.815 1.00 4.41 C ATOM 1273 CG GLN A 81 16.058 0.789 1.318 1.00 22.02 C ATOM 1274 CD GLN A 81 17.164 1.364 2.191 1.00 54.20 C ATOM 1275 OE1 GLN A 81 17.563 2.514 2.054 1.00 53.22 O ATOM 1276 NE2 GLN A 81 17.680 0.599 3.141 1.00 0.53 N ATOM 0 H GLN A 81 13.923 -1.480 0.603 1.00 54.11 H new ATOM 0 HA GLN A 81 12.646 0.967 1.354 1.00 73.45 H new ATOM 0 HB2 GLN A 81 14.623 2.308 1.739 1.00 4.41 H new ATOM 0 HB3 GLN A 81 14.608 0.969 2.870 1.00 4.41 H new ATOM 0 HG2 GLN A 81 16.117 -0.299 1.317 1.00 22.02 H new ATOM 0 HG3 GLN A 81 16.194 1.116 0.287 1.00 22.02 H new ATOM 0 HE21 GLN A 81 17.351 -0.359 3.259 1.00 0.53 H new ATOM 0 HE22 GLN A 81 18.406 0.968 3.755 1.00 0.53 H new ATOM 1285 N LEU A 82 12.792 0.249 -1.327 1.00 41.25 N ATOM 1286 CA LEU A 82 12.872 0.534 -2.773 1.00 42.23 C ATOM 1287 C LEU A 82 12.250 1.885 -3.149 1.00 3.21 C ATOM 1288 O LEU A 82 12.629 2.466 -4.161 1.00 4.01 O ATOM 1289 CB LEU A 82 12.475 -0.659 -3.683 1.00 42.22 C ATOM 1290 CG LEU A 82 12.743 -2.063 -3.084 1.00 34.43 C ATOM 1291 CD1 LEU A 82 14.145 -2.114 -2.445 1.00 11.12 C ATOM 1292 CD2 LEU A 82 11.525 -2.436 -2.262 1.00 42.21 C ATOM 0 H LEU A 82 12.164 -0.511 -1.067 1.00 41.25 H new ATOM 0 HA LEU A 82 13.933 0.654 -2.993 1.00 42.23 H new ATOM 0 HB2 LEU A 82 11.414 -0.578 -3.918 1.00 42.22 H new ATOM 0 HB3 LEU A 82 13.018 -0.574 -4.624 1.00 42.22 H new ATOM 0 HG LEU A 82 12.829 -2.867 -3.815 1.00 34.43 H new ATOM 0 HD11 LEU A 82 14.319 -3.106 -2.028 1.00 11.12 H new ATOM 0 HD12 LEU A 82 14.898 -1.901 -3.203 1.00 11.12 H new ATOM 0 HD13 LEU A 82 14.210 -1.370 -1.651 1.00 11.12 H new ATOM 0 HD21 LEU A 82 11.672 -3.422 -1.820 1.00 42.21 H new ATOM 0 HD22 LEU A 82 11.382 -1.701 -1.470 1.00 42.21 H new ATOM 0 HD23 LEU A 82 10.644 -2.454 -2.904 1.00 42.21 H new ATOM 1304 N LEU A 83 11.468 2.490 -2.246 1.00 63.10 N ATOM 1305 CA LEU A 83 11.130 3.913 -2.296 1.00 60.23 C ATOM 1306 C LEU A 83 12.353 4.787 -2.594 1.00 24.50 C ATOM 1307 O LEU A 83 12.244 5.736 -3.360 1.00 43.53 O ATOM 1308 CB LEU A 83 10.522 4.357 -0.960 1.00 44.44 C ATOM 1309 CG LEU A 83 8.992 4.304 -0.907 1.00 21.30 C ATOM 1310 CD1 LEU A 83 8.556 4.331 0.558 1.00 61.55 C ATOM 1311 CD2 LEU A 83 8.367 5.495 -1.637 1.00 25.11 C ATOM 0 H LEU A 83 11.050 2.000 -1.455 1.00 63.10 H new ATOM 0 HA LEU A 83 10.410 4.041 -3.105 1.00 60.23 H new ATOM 0 HB2 LEU A 83 10.922 3.726 -0.166 1.00 44.44 H new ATOM 0 HB3 LEU A 83 10.845 5.377 -0.750 1.00 44.44 H new ATOM 0 HG LEU A 83 8.656 3.391 -1.398 1.00 21.30 H new ATOM 0 HD11 LEU A 83 7.468 4.294 0.615 1.00 61.55 H new ATOM 0 HD12 LEU A 83 8.976 3.470 1.079 1.00 61.55 H new ATOM 0 HD13 LEU A 83 8.913 5.248 1.027 1.00 61.55 H new ATOM 0 HD21 LEU A 83 7.281 5.427 -1.581 1.00 25.11 H new ATOM 0 HD22 LEU A 83 8.697 6.423 -1.169 1.00 25.11 H new ATOM 0 HD23 LEU A 83 8.677 5.485 -2.682 1.00 25.11 H new ATOM 1323 N LYS A 84 13.518 4.491 -2.013 1.00 43.53 N ATOM 1324 CA LYS A 84 14.721 5.268 -2.293 1.00 62.24 C ATOM 1325 C LYS A 84 15.572 4.596 -3.352 1.00 4.42 C ATOM 1326 O LYS A 84 16.318 5.289 -4.039 1.00 22.14 O ATOM 1327 CB LYS A 84 15.579 5.549 -1.062 1.00 72.10 C ATOM 1328 CG LYS A 84 14.838 5.552 0.272 1.00 75.23 C ATOM 1329 CD LYS A 84 15.577 6.402 1.314 1.00 54.03 C ATOM 1330 CE LYS A 84 17.052 6.015 1.485 1.00 54.24 C ATOM 1331 NZ LYS A 84 17.794 7.042 2.241 1.00 60.41 N ATOM 0 H LYS A 84 13.651 3.726 -1.352 1.00 43.53 H new ATOM 0 HA LYS A 84 14.358 6.229 -2.657 1.00 62.24 H new ATOM 0 HB2 LYS A 84 16.371 4.802 -1.015 1.00 72.10 H new ATOM 0 HB3 LYS A 84 16.062 6.518 -1.191 1.00 72.10 H new ATOM 0 HG2 LYS A 84 13.830 5.941 0.130 1.00 75.23 H new ATOM 0 HG3 LYS A 84 14.737 4.530 0.637 1.00 75.23 H new ATOM 0 HD2 LYS A 84 15.516 7.451 1.025 1.00 54.03 H new ATOM 0 HD3 LYS A 84 15.071 6.306 2.275 1.00 54.03 H new ATOM 0 HE2 LYS A 84 17.121 5.059 2.003 1.00 54.24 H new ATOM 0 HE3 LYS A 84 17.510 5.880 0.505 1.00 54.24 H new ATOM 0 HZ1 LYS A 84 18.787 6.751 2.339 1.00 60.41 H new ATOM 0 HZ2 LYS A 84 17.748 7.948 1.733 1.00 60.41 H new ATOM 0 HZ3 LYS A 84 17.371 7.152 3.184 1.00 60.41 H new ATOM 1345 N GLU A 85 15.526 3.267 -3.433 1.00 41.23 N ATOM 1346 CA GLU A 85 16.351 2.567 -4.421 1.00 0.35 C ATOM 1347 C GLU A 85 15.891 2.841 -5.856 1.00 0.31 C ATOM 1348 O GLU A 85 16.725 3.159 -6.696 1.00 0.00 O ATOM 1349 CB GLU A 85 16.453 1.055 -4.190 1.00 1.44 C ATOM 1350 CG GLU A 85 17.235 0.676 -2.921 1.00 55.42 C ATOM 1351 CD GLU A 85 17.830 -0.729 -3.031 1.00 62.32 C ATOM 1352 OE1 GLU A 85 18.635 -0.964 -3.959 1.00 2.14 O ATOM 1353 OE2 GLU A 85 17.468 -1.631 -2.237 1.00 11.22 O ATOM 0 H GLU A 85 14.946 2.667 -2.847 1.00 41.23 H new ATOM 0 HA GLU A 85 17.350 2.980 -4.281 1.00 0.35 H new ATOM 0 HB2 GLU A 85 15.448 0.637 -4.125 1.00 1.44 H new ATOM 0 HB3 GLU A 85 16.934 0.596 -5.054 1.00 1.44 H new ATOM 0 HG2 GLU A 85 18.034 1.399 -2.754 1.00 55.42 H new ATOM 0 HG3 GLU A 85 16.574 0.726 -2.056 1.00 55.42 H new ATOM 1360 N GLU A 86 14.608 2.673 -6.185 1.00 2.51 N ATOM 1361 CA GLU A 86 14.124 2.652 -7.565 1.00 63.13 C ATOM 1362 C GLU A 86 13.348 3.900 -7.987 1.00 43.40 C ATOM 1363 O GLU A 86 13.353 4.269 -9.162 1.00 63.53 O ATOM 1364 CB GLU A 86 13.372 1.342 -7.789 1.00 20.11 C ATOM 1365 CG GLU A 86 12.025 1.128 -7.119 1.00 1.41 C ATOM 1366 CD GLU A 86 11.485 -0.287 -7.376 1.00 5.10 C ATOM 1367 OE1 GLU A 86 11.500 -0.762 -8.537 1.00 62.33 O ATOM 1368 OE2 GLU A 86 11.148 -0.971 -6.389 1.00 34.51 O ATOM 0 H GLU A 86 13.869 2.547 -5.493 1.00 2.51 H new ATOM 0 HA GLU A 86 14.984 2.687 -8.234 1.00 63.13 H new ATOM 0 HB2 GLU A 86 13.224 1.230 -8.863 1.00 20.11 H new ATOM 0 HB3 GLU A 86 14.027 0.531 -7.471 1.00 20.11 H new ATOM 0 HG2 GLU A 86 12.122 1.292 -6.046 1.00 1.41 H new ATOM 0 HG3 GLU A 86 11.312 1.864 -7.491 1.00 1.41 H new ATOM 1375 N LEU A 87 12.740 4.578 -7.015 1.00 10.23 N ATOM 1376 CA LEU A 87 12.096 5.878 -7.242 1.00 43.11 C ATOM 1377 C LEU A 87 13.050 7.030 -6.924 1.00 54.34 C ATOM 1378 O LEU A 87 13.182 7.953 -7.731 1.00 71.32 O ATOM 1379 CB LEU A 87 10.806 6.027 -6.420 1.00 13.21 C ATOM 1380 CG LEU A 87 9.692 5.059 -6.826 1.00 64.52 C ATOM 1381 CD1 LEU A 87 8.562 5.061 -5.797 1.00 42.44 C ATOM 1382 CD2 LEU A 87 9.056 5.449 -8.146 1.00 5.04 C ATOM 0 H LEU A 87 12.678 4.247 -6.052 1.00 10.23 H new ATOM 0 HA LEU A 87 11.833 5.919 -8.299 1.00 43.11 H new ATOM 0 HB2 LEU A 87 11.039 5.874 -5.366 1.00 13.21 H new ATOM 0 HB3 LEU A 87 10.440 7.049 -6.520 1.00 13.21 H new ATOM 0 HG LEU A 87 10.166 4.080 -6.901 1.00 64.52 H new ATOM 0 HD11 LEU A 87 7.784 4.365 -6.110 1.00 42.44 H new ATOM 0 HD12 LEU A 87 8.953 4.756 -4.826 1.00 42.44 H new ATOM 0 HD13 LEU A 87 8.142 6.064 -5.720 1.00 42.44 H new ATOM 0 HD21 LEU A 87 8.271 4.736 -8.396 1.00 5.04 H new ATOM 0 HD22 LEU A 87 8.626 6.447 -8.062 1.00 5.04 H new ATOM 0 HD23 LEU A 87 9.813 5.445 -8.930 1.00 5.04 H new ATOM 1394 N GLY A 88 13.654 7.025 -5.730 1.00 75.32 N ATOM 1395 CA GLY A 88 14.552 8.081 -5.258 1.00 33.13 C ATOM 1396 C GLY A 88 13.952 8.943 -4.136 1.00 55.54 C ATOM 1397 O GLY A 88 14.371 10.087 -3.950 1.00 22.21 O ATOM 0 H GLY A 88 13.529 6.272 -5.053 1.00 75.32 H new ATOM 0 HA2 GLY A 88 15.477 7.627 -4.901 1.00 33.13 H new ATOM 0 HA3 GLY A 88 14.816 8.724 -6.097 1.00 33.13 H new ATOM 1401 N PHE A 89 12.933 8.466 -3.414 1.00 33.43 N ATOM 1402 CA PHE A 89 12.417 9.127 -2.219 1.00 50.33 C ATOM 1403 C PHE A 89 13.461 9.214 -1.097 1.00 73.23 C ATOM 1404 O PHE A 89 14.528 8.603 -1.168 1.00 1.32 O ATOM 1405 CB PHE A 89 11.150 8.395 -1.754 1.00 43.33 C ATOM 1406 CG PHE A 89 10.305 9.116 -0.719 1.00 44.01 C ATOM 1407 CD1 PHE A 89 9.736 10.368 -1.014 1.00 54.34 C ATOM 1408 CD2 PHE A 89 10.069 8.527 0.537 1.00 2.13 C ATOM 1409 CE1 PHE A 89 8.911 11.008 -0.072 1.00 43.55 C ATOM 1410 CE2 PHE A 89 9.253 9.173 1.482 1.00 73.33 C ATOM 1411 CZ PHE A 89 8.662 10.411 1.175 1.00 4.13 C ATOM 0 H PHE A 89 12.442 7.603 -3.647 1.00 33.43 H new ATOM 0 HA PHE A 89 12.171 10.158 -2.473 1.00 50.33 H new ATOM 0 HB2 PHE A 89 10.528 8.197 -2.627 1.00 43.33 H new ATOM 0 HB3 PHE A 89 11.443 7.428 -1.345 1.00 43.33 H new ATOM 0 HD1 PHE A 89 9.933 10.839 -1.966 1.00 54.34 H new ATOM 0 HD2 PHE A 89 10.517 7.574 0.776 1.00 2.13 H new ATOM 0 HE1 PHE A 89 8.467 11.963 -0.308 1.00 43.55 H new ATOM 0 HE2 PHE A 89 9.080 8.717 2.446 1.00 73.33 H new ATOM 0 HZ PHE A 89 8.021 10.900 1.893 1.00 4.13 H new ATOM 1421 N ALA A 90 13.127 9.959 -0.039 1.00 21.14 N ATOM 1422 CA ALA A 90 13.911 10.105 1.181 1.00 22.13 C ATOM 1423 C ALA A 90 12.975 9.977 2.384 1.00 3.42 C ATOM 1424 O ALA A 90 13.002 8.986 3.119 1.00 61.11 O ATOM 1425 CB ALA A 90 14.661 11.444 1.157 1.00 14.42 C ATOM 0 H ALA A 90 12.262 10.500 -0.013 1.00 21.14 H new ATOM 0 HA ALA A 90 14.664 9.321 1.256 1.00 22.13 H new ATOM 0 HB1 ALA A 90 15.246 11.550 2.071 1.00 14.42 H new ATOM 0 HB2 ALA A 90 15.327 11.473 0.294 1.00 14.42 H new ATOM 0 HB3 ALA A 90 13.944 12.262 1.089 1.00 14.42 H new ATOM 1431 N GLY A 91 12.123 10.981 2.559 1.00 74.44 N ATOM 1432 CA GLY A 91 11.168 11.129 3.638 1.00 63.31 C ATOM 1433 C GLY A 91 10.497 12.482 3.459 1.00 20.11 C ATOM 1434 O GLY A 91 10.813 13.208 2.510 1.00 52.24 O ATOM 0 H GLY A 91 12.083 11.762 1.904 1.00 74.44 H new ATOM 0 HA2 GLY A 91 10.430 10.327 3.612 1.00 63.31 H new ATOM 0 HA3 GLY A 91 11.668 11.072 4.605 1.00 63.31 H new ATOM 1438 N TYR A 92 9.545 12.836 4.315 1.00 10.11 N ATOM 1439 CA TYR A 92 9.128 14.228 4.431 1.00 24.00 C ATOM 1440 C TYR A 92 9.945 15.006 5.464 1.00 75.04 C ATOM 1441 O TYR A 92 10.568 14.425 6.352 1.00 34.02 O ATOM 1442 CB TYR A 92 7.681 14.294 4.860 1.00 54.33 C ATOM 1443 CG TYR A 92 6.665 13.609 3.996 1.00 43.51 C ATOM 1444 CD1 TYR A 92 6.333 12.279 4.259 1.00 34.31 C ATOM 1445 CD2 TYR A 92 5.959 14.330 3.024 1.00 70.23 C ATOM 1446 CE1 TYR A 92 5.360 11.627 3.501 1.00 50.34 C ATOM 1447 CE2 TYR A 92 4.966 13.700 2.258 1.00 11.11 C ATOM 1448 CZ TYR A 92 4.681 12.334 2.482 1.00 73.13 C ATOM 1449 OH TYR A 92 3.700 11.732 1.770 1.00 44.34 O ATOM 0 H TYR A 92 9.053 12.188 4.931 1.00 10.11 H new ATOM 0 HA TYR A 92 9.282 14.677 3.450 1.00 24.00 H new ATOM 0 HB2 TYR A 92 7.609 13.871 5.862 1.00 54.33 H new ATOM 0 HB3 TYR A 92 7.402 15.345 4.937 1.00 54.33 H new ATOM 0 HD1 TYR A 92 6.834 11.750 5.056 1.00 34.31 H new ATOM 0 HD2 TYR A 92 6.180 15.375 2.864 1.00 70.23 H new ATOM 0 HE1 TYR A 92 5.127 10.590 3.691 1.00 50.34 H new ATOM 0 HE2 TYR A 92 4.425 14.254 1.505 1.00 11.11 H new ATOM 0 HH TYR A 92 3.680 12.102 0.863 1.00 44.34 H new ATOM 1459 N SER A 93 9.841 16.333 5.395 1.00 32.14 N ATOM 1460 CA SER A 93 10.438 17.285 6.317 1.00 73.32 C ATOM 1461 C SER A 93 9.869 17.108 7.726 1.00 73.11 C ATOM 1462 O SER A 93 8.654 16.940 7.879 1.00 42.04 O ATOM 1463 CB SER A 93 10.151 18.716 5.830 1.00 44.21 C ATOM 1464 OG SER A 93 9.599 18.765 4.521 1.00 73.35 O ATOM 0 H SER A 93 9.310 16.791 4.655 1.00 32.14 H new ATOM 0 HA SER A 93 11.513 17.108 6.350 1.00 73.32 H new ATOM 0 HB2 SER A 93 9.463 19.198 6.525 1.00 44.21 H new ATOM 0 HB3 SER A 93 11.077 19.291 5.848 1.00 44.21 H new ATOM 0 HG SER A 93 9.437 19.698 4.269 1.00 73.35 H new ATOM 1470 N ILE A 94 10.709 17.219 8.753 1.00 33.24 N ATOM 1471 CA ILE A 94 10.292 17.078 10.152 1.00 22.41 C ATOM 1472 C ILE A 94 9.174 18.054 10.522 1.00 55.33 C ATOM 1473 O ILE A 94 8.235 17.694 11.223 1.00 33.44 O ATOM 1474 CB ILE A 94 11.506 17.167 11.100 1.00 4.12 C ATOM 1475 CG1 ILE A 94 11.142 17.006 12.593 1.00 30.24 C ATOM 1476 CG2 ILE A 94 12.269 18.483 10.931 1.00 5.04 C ATOM 1477 CD1 ILE A 94 10.507 15.655 12.938 1.00 42.53 C ATOM 0 H ILE A 94 11.705 17.410 8.640 1.00 33.24 H new ATOM 0 HA ILE A 94 9.864 16.083 10.275 1.00 22.41 H new ATOM 0 HB ILE A 94 12.137 16.327 10.809 1.00 4.12 H new ATOM 0 HG12 ILE A 94 12.043 17.136 13.192 1.00 30.24 H new ATOM 0 HG13 ILE A 94 10.454 17.802 12.876 1.00 30.24 H new ATOM 0 HG21 ILE A 94 13.116 18.503 11.617 1.00 5.04 H new ATOM 0 HG22 ILE A 94 12.631 18.565 9.906 1.00 5.04 H new ATOM 0 HG23 ILE A 94 11.605 19.319 11.149 1.00 5.04 H new ATOM 0 HD11 ILE A 94 10.281 15.621 14.004 1.00 42.53 H new ATOM 0 HD12 ILE A 94 9.587 15.529 12.368 1.00 42.53 H new ATOM 0 HD13 ILE A 94 11.201 14.852 12.688 1.00 42.53 H new ATOM 1489 N ASN A 95 9.241 19.275 9.994 1.00 22.11 N ATOM 1490 CA ASN A 95 8.337 20.368 10.350 1.00 42.40 C ATOM 1491 C ASN A 95 6.886 20.028 9.992 1.00 31.43 C ATOM 1492 O ASN A 95 5.944 20.604 10.540 1.00 60.30 O ATOM 1493 CB ASN A 95 8.736 21.656 9.602 1.00 32.41 C ATOM 1494 CG ASN A 95 10.228 21.925 9.639 1.00 50.14 C ATOM 1495 OD1 ASN A 95 10.780 22.313 10.659 1.00 5.21 O ATOM 1496 ND2 ASN A 95 10.938 21.639 8.561 1.00 2.21 N ATOM 0 H ASN A 95 9.936 19.537 9.295 1.00 22.11 H new ATOM 0 HA ASN A 95 8.415 20.518 11.427 1.00 42.40 H new ATOM 0 HB2 ASN A 95 8.411 21.582 8.564 1.00 32.41 H new ATOM 0 HB3 ASN A 95 8.209 22.503 10.041 1.00 32.41 H new ATOM 0 HD21 ASN A 95 11.953 21.741 8.577 1.00 2.21 H new ATOM 0 HD22 ASN A 95 10.471 21.316 7.714 1.00 2.21 H new ATOM 1503 N GLU A 96 6.698 19.099 9.053 1.00 23.24 N ATOM 1504 CA GLU A 96 5.439 18.797 8.396 1.00 50.51 C ATOM 1505 C GLU A 96 4.906 17.414 8.819 1.00 22.14 C ATOM 1506 O GLU A 96 3.869 16.971 8.311 1.00 3.43 O ATOM 1507 CB GLU A 96 5.670 18.884 6.871 1.00 2.51 C ATOM 1508 CG GLU A 96 6.007 20.283 6.337 1.00 11.32 C ATOM 1509 CD GLU A 96 4.754 21.119 6.070 1.00 11.52 C ATOM 1510 OE1 GLU A 96 3.974 20.730 5.161 1.00 11.21 O ATOM 1511 OE2 GLU A 96 4.590 22.195 6.674 1.00 74.40 O ATOM 0 H GLU A 96 7.462 18.512 8.718 1.00 23.24 H new ATOM 0 HA GLU A 96 4.676 19.517 8.692 1.00 50.51 H new ATOM 0 HB2 GLU A 96 6.481 18.206 6.604 1.00 2.51 H new ATOM 0 HB3 GLU A 96 4.774 18.525 6.364 1.00 2.51 H new ATOM 0 HG2 GLU A 96 6.641 20.801 7.057 1.00 11.32 H new ATOM 0 HG3 GLU A 96 6.582 20.189 5.416 1.00 11.32 H new ATOM 1518 N LEU A 97 5.642 16.689 9.681 1.00 21.12 N ATOM 1519 CA LEU A 97 5.480 15.255 9.882 1.00 43.44 C ATOM 1520 C LEU A 97 4.237 14.983 10.723 1.00 25.43 C ATOM 1521 O LEU A 97 4.307 14.944 11.950 1.00 54.34 O ATOM 1522 CB LEU A 97 6.772 14.654 10.490 1.00 2.34 C ATOM 1523 CG LEU A 97 7.696 13.912 9.501 1.00 14.51 C ATOM 1524 CD1 LEU A 97 8.923 13.341 10.221 1.00 64.41 C ATOM 1525 CD2 LEU A 97 7.006 12.735 8.801 1.00 1.24 C ATOM 0 H LEU A 97 6.374 17.098 10.261 1.00 21.12 H new ATOM 0 HA LEU A 97 5.325 14.758 8.924 1.00 43.44 H new ATOM 0 HB2 LEU A 97 7.341 15.459 10.956 1.00 2.34 H new ATOM 0 HB3 LEU A 97 6.490 13.962 11.284 1.00 2.34 H new ATOM 0 HG LEU A 97 7.977 14.660 8.759 1.00 14.51 H new ATOM 0 HD11 LEU A 97 9.558 12.823 9.502 1.00 64.41 H new ATOM 0 HD12 LEU A 97 9.485 14.153 10.683 1.00 64.41 H new ATOM 0 HD13 LEU A 97 8.600 12.640 10.991 1.00 64.41 H new ATOM 0 HD21 LEU A 97 7.708 12.255 8.119 1.00 1.24 H new ATOM 0 HD22 LEU A 97 6.673 12.013 9.546 1.00 1.24 H new ATOM 0 HD23 LEU A 97 6.146 13.099 8.239 1.00 1.24 H new ATOM 1537 N VAL A 98 3.093 14.774 10.071 1.00 41.51 N ATOM 1538 CA VAL A 98 1.824 14.517 10.742 1.00 40.51 C ATOM 1539 C VAL A 98 1.461 13.036 10.629 1.00 11.35 C ATOM 1540 O VAL A 98 1.781 12.401 9.619 1.00 52.35 O ATOM 1541 CB VAL A 98 0.710 15.426 10.183 1.00 71.21 C ATOM 1542 CG1 VAL A 98 0.953 16.873 10.604 1.00 23.35 C ATOM 1543 CG2 VAL A 98 0.549 15.358 8.656 1.00 22.03 C ATOM 0 H VAL A 98 3.023 14.779 9.053 1.00 41.51 H new ATOM 0 HA VAL A 98 1.929 14.757 11.800 1.00 40.51 H new ATOM 0 HB VAL A 98 -0.220 15.049 10.609 1.00 71.21 H new ATOM 0 HG11 VAL A 98 0.161 17.506 10.204 1.00 23.35 H new ATOM 0 HG12 VAL A 98 0.956 16.940 11.692 1.00 23.35 H new ATOM 0 HG13 VAL A 98 1.915 17.208 10.217 1.00 23.35 H new ATOM 0 HG21 VAL A 98 -0.254 16.026 8.345 1.00 22.03 H new ATOM 0 HG22 VAL A 98 1.480 15.663 8.178 1.00 22.03 H new ATOM 0 HG23 VAL A 98 0.307 14.337 8.361 1.00 22.03 H new ATOM 1553 N PRO A 99 0.703 12.492 11.598 1.00 71.35 N ATOM 1554 CA PRO A 99 0.243 11.111 11.580 1.00 25.51 C ATOM 1555 C PRO A 99 -0.796 10.824 10.493 1.00 72.03 C ATOM 1556 O PRO A 99 -1.209 9.677 10.356 1.00 43.13 O ATOM 1557 CB PRO A 99 -0.292 10.838 12.985 1.00 21.04 C ATOM 1558 CG PRO A 99 -0.768 12.208 13.451 1.00 71.41 C ATOM 1559 CD PRO A 99 0.259 13.141 12.822 1.00 20.23 C ATOM 0 HA PRO A 99 1.064 10.440 11.325 1.00 25.51 H new ATOM 0 HB2 PRO A 99 -1.105 10.113 12.972 1.00 21.04 H new ATOM 0 HB3 PRO A 99 0.482 10.437 13.639 1.00 21.04 H new ATOM 0 HG2 PRO A 99 -1.779 12.426 13.107 1.00 71.41 H new ATOM 0 HG3 PRO A 99 -0.777 12.287 14.538 1.00 71.41 H new ATOM 0 HD2 PRO A 99 -0.180 14.116 12.608 1.00 20.23 H new ATOM 0 HD3 PRO A 99 1.097 13.310 13.499 1.00 20.23 H new ATOM 1567 N ARG A 100 -1.211 11.821 9.701 1.00 14.22 N ATOM 1568 CA ARG A 100 -1.850 11.549 8.418 1.00 53.12 C ATOM 1569 C ARG A 100 -0.798 10.994 7.459 1.00 21.53 C ATOM 1570 O ARG A 100 -0.796 9.802 7.150 1.00 52.51 O ATOM 1571 CB ARG A 100 -2.546 12.805 7.859 1.00 71.51 C ATOM 1572 CG ARG A 100 -3.783 13.199 8.675 1.00 32.42 C ATOM 1573 CD ARG A 100 -4.494 14.396 8.035 1.00 53.34 C ATOM 1574 NE ARG A 100 -5.805 14.623 8.661 1.00 71.42 N ATOM 1575 CZ ARG A 100 -6.117 15.497 9.626 1.00 73.02 C ATOM 1576 NH1 ARG A 100 -5.209 16.328 10.139 1.00 35.43 N ATOM 1577 NH2 ARG A 100 -7.358 15.533 10.090 1.00 53.43 N ATOM 0 H ARG A 100 -1.115 12.811 9.927 1.00 14.22 H new ATOM 0 HA ARG A 100 -2.636 10.805 8.547 1.00 53.12 H new ATOM 0 HB2 ARG A 100 -1.840 13.635 7.851 1.00 71.51 H new ATOM 0 HB3 ARG A 100 -2.839 12.625 6.825 1.00 71.51 H new ATOM 0 HG2 ARG A 100 -4.468 12.354 8.738 1.00 32.42 H new ATOM 0 HG3 ARG A 100 -3.489 13.447 9.695 1.00 32.42 H new ATOM 0 HD2 ARG A 100 -3.877 15.289 8.139 1.00 53.34 H new ATOM 0 HD3 ARG A 100 -4.622 14.220 6.967 1.00 53.34 H new ATOM 0 HE ARG A 100 -6.571 14.043 8.318 1.00 71.42 H new ATOM 0 HH11 ARG A 100 -4.248 16.308 9.797 1.00 35.43 H new ATOM 0 HH12 ARG A 100 -5.475 16.984 10.874 1.00 35.43 H new ATOM 0 HH21 ARG A 100 -8.062 14.899 9.712 1.00 53.43 H new ATOM 0 HH22 ARG A 100 -7.609 16.194 10.825 1.00 53.43 H new ATOM 1591 N LYS A 101 0.109 11.856 6.987 1.00 55.22 N ATOM 1592 CA LYS A 101 0.965 11.552 5.850 1.00 75.03 C ATOM 1593 C LYS A 101 1.886 10.376 6.078 1.00 34.43 C ATOM 1594 O LYS A 101 2.126 9.613 5.150 1.00 42.10 O ATOM 1595 CB LYS A 101 1.745 12.794 5.428 1.00 14.12 C ATOM 1596 CG LYS A 101 2.766 13.391 6.390 1.00 34.40 C ATOM 1597 CD LYS A 101 3.464 14.563 5.694 1.00 42.45 C ATOM 1598 CE LYS A 101 2.608 15.708 5.112 1.00 14.15 C ATOM 1599 NZ LYS A 101 2.167 15.486 3.712 1.00 22.52 N ATOM 0 H LYS A 101 0.265 12.781 7.386 1.00 55.22 H new ATOM 0 HA LYS A 101 0.305 11.249 5.037 1.00 75.03 H new ATOM 0 HB2 LYS A 101 2.267 12.555 4.502 1.00 14.12 H new ATOM 0 HB3 LYS A 101 1.020 13.573 5.193 1.00 14.12 H new ATOM 0 HG2 LYS A 101 2.274 13.731 7.301 1.00 34.40 H new ATOM 0 HG3 LYS A 101 3.496 12.636 6.684 1.00 34.40 H new ATOM 0 HD2 LYS A 101 4.159 15.003 6.409 1.00 42.45 H new ATOM 0 HD3 LYS A 101 4.062 14.153 4.880 1.00 42.45 H new ATOM 0 HE2 LYS A 101 1.728 15.845 5.741 1.00 14.15 H new ATOM 0 HE3 LYS A 101 3.180 16.634 5.158 1.00 14.15 H new ATOM 0 HZ1 LYS A 101 2.197 16.386 3.192 1.00 22.52 H new ATOM 0 HZ2 LYS A 101 2.799 14.799 3.254 1.00 22.52 H new ATOM 0 HZ3 LYS A 101 1.195 15.117 3.709 1.00 22.52 H new ATOM 1613 N THR A 102 2.370 10.196 7.296 1.00 1.34 N ATOM 1614 CA THR A 102 3.251 9.071 7.601 1.00 3.11 C ATOM 1615 C THR A 102 2.625 7.733 7.191 1.00 21.05 C ATOM 1616 O THR A 102 3.289 6.871 6.621 1.00 72.11 O ATOM 1617 CB THR A 102 3.678 9.112 9.073 1.00 45.41 C ATOM 1618 OG1 THR A 102 2.559 9.222 9.927 1.00 14.45 O ATOM 1619 CG2 THR A 102 4.598 10.310 9.331 1.00 63.03 C ATOM 0 H THR A 102 2.172 10.808 8.088 1.00 1.34 H new ATOM 0 HA THR A 102 4.157 9.165 7.003 1.00 3.11 H new ATOM 0 HB THR A 102 4.204 8.181 9.282 1.00 45.41 H new ATOM 0 HG1 THR A 102 2.860 9.244 10.859 1.00 14.45 H new ATOM 0 HG21 THR A 102 4.892 10.324 10.381 1.00 63.03 H new ATOM 0 HG22 THR A 102 5.487 10.227 8.706 1.00 63.03 H new ATOM 0 HG23 THR A 102 4.070 11.233 9.090 1.00 63.03 H new ATOM 1627 N ARG A 103 1.312 7.585 7.372 1.00 72.21 N ATOM 1628 CA ARG A 103 0.593 6.366 7.007 1.00 5.00 C ATOM 1629 C ARG A 103 0.616 6.137 5.499 1.00 30.15 C ATOM 1630 O ARG A 103 0.722 4.992 5.062 1.00 13.42 O ATOM 1631 CB ARG A 103 -0.853 6.445 7.510 1.00 61.22 C ATOM 1632 CG ARG A 103 -0.964 6.825 8.993 1.00 70.33 C ATOM 1633 CD ARG A 103 -0.512 5.731 9.967 1.00 13.12 C ATOM 1634 NE ARG A 103 -0.052 6.304 11.244 1.00 71.51 N ATOM 1635 CZ ARG A 103 -0.802 6.912 12.172 1.00 5.33 C ATOM 1636 NH1 ARG A 103 -2.112 7.082 12.010 1.00 23.33 N ATOM 1637 NH2 ARG A 103 -0.223 7.355 13.284 1.00 60.24 N ATOM 0 H ARG A 103 0.717 8.308 7.776 1.00 72.21 H new ATOM 0 HA ARG A 103 1.094 5.521 7.479 1.00 5.00 H new ATOM 0 HB2 ARG A 103 -1.398 7.177 6.914 1.00 61.22 H new ATOM 0 HB3 ARG A 103 -1.338 5.481 7.352 1.00 61.22 H new ATOM 0 HG2 ARG A 103 -0.368 7.720 9.171 1.00 70.33 H new ATOM 0 HG3 ARG A 103 -2.000 7.083 9.212 1.00 70.33 H new ATOM 0 HD2 ARG A 103 -1.337 5.043 10.152 1.00 13.12 H new ATOM 0 HD3 ARG A 103 0.293 5.150 9.516 1.00 13.12 H new ATOM 0 HE ARG A 103 0.946 6.230 11.443 1.00 71.51 H new ATOM 0 HH11 ARG A 103 -2.569 6.746 11.162 1.00 23.33 H new ATOM 0 HH12 ARG A 103 -2.659 7.549 12.733 1.00 23.33 H new ATOM 0 HH21 ARG A 103 0.780 7.230 13.421 1.00 60.24 H new ATOM 0 HH22 ARG A 103 -0.782 7.820 13.999 1.00 60.24 H new ATOM 1651 N ARG A 104 0.526 7.201 4.692 1.00 53.43 N ATOM 1652 CA ARG A 104 0.603 7.052 3.241 1.00 52.10 C ATOM 1653 C ARG A 104 1.994 6.534 2.860 1.00 34.03 C ATOM 1654 O ARG A 104 2.090 5.592 2.085 1.00 61.12 O ATOM 1655 CB ARG A 104 0.085 8.310 2.497 1.00 3.25 C ATOM 1656 CG ARG A 104 1.116 9.392 2.123 1.00 42.54 C ATOM 1657 CD ARG A 104 0.564 10.829 2.145 1.00 31.31 C ATOM 1658 NE ARG A 104 0.403 11.383 0.795 1.00 75.32 N ATOM 1659 CZ ARG A 104 -0.422 12.367 0.428 1.00 42.41 C ATOM 1660 NH1 ARG A 104 -1.138 13.028 1.329 1.00 40.32 N ATOM 1661 NH2 ARG A 104 -0.532 12.671 -0.858 1.00 44.43 N ATOM 0 H ARG A 104 0.402 8.160 5.017 1.00 53.43 H new ATOM 0 HA ARG A 104 -0.089 6.287 2.889 1.00 52.10 H new ATOM 0 HB2 ARG A 104 -0.404 7.981 1.580 1.00 3.25 H new ATOM 0 HB3 ARG A 104 -0.681 8.776 3.117 1.00 3.25 H new ATOM 0 HG2 ARG A 104 1.958 9.328 2.812 1.00 42.54 H new ATOM 0 HG3 ARG A 104 1.503 9.179 1.126 1.00 42.54 H new ATOM 0 HD2 ARG A 104 -0.398 10.839 2.657 1.00 31.31 H new ATOM 0 HD3 ARG A 104 1.237 11.466 2.719 1.00 31.31 H new ATOM 0 HE ARG A 104 0.981 10.974 0.061 1.00 75.32 H new ATOM 0 HH11 ARG A 104 -1.062 12.787 2.317 1.00 40.32 H new ATOM 0 HH12 ARG A 104 -1.764 13.777 1.033 1.00 40.32 H new ATOM 0 HH21 ARG A 104 0.010 12.156 -1.552 1.00 44.43 H new ATOM 0 HH22 ARG A 104 -1.158 13.420 -1.153 1.00 44.43 H new ATOM 1675 N ALA A 105 3.068 7.046 3.480 1.00 53.43 N ATOM 1676 CA ALA A 105 4.420 6.519 3.289 1.00 40.42 C ATOM 1677 C ALA A 105 4.522 5.036 3.645 1.00 65.04 C ATOM 1678 O ALA A 105 5.167 4.284 2.907 1.00 21.21 O ATOM 1679 CB ALA A 105 5.438 7.335 4.099 1.00 73.12 C ATOM 0 H ALA A 105 3.020 7.835 4.125 1.00 53.43 H new ATOM 0 HA ALA A 105 4.651 6.613 2.228 1.00 40.42 H new ATOM 0 HB1 ALA A 105 6.437 6.928 3.944 1.00 73.12 H new ATOM 0 HB2 ALA A 105 5.415 8.374 3.771 1.00 73.12 H new ATOM 0 HB3 ALA A 105 5.186 7.283 5.158 1.00 73.12 H new ATOM 1685 N THR A 106 3.882 4.612 4.739 1.00 60.51 N ATOM 1686 CA THR A 106 3.885 3.222 5.169 1.00 63.42 C ATOM 1687 C THR A 106 3.420 2.314 4.030 1.00 73.43 C ATOM 1688 O THR A 106 4.061 1.292 3.774 1.00 12.34 O ATOM 1689 CB THR A 106 3.003 3.052 6.428 1.00 73.24 C ATOM 1690 OG1 THR A 106 3.240 4.038 7.417 1.00 0.01 O ATOM 1691 CG2 THR A 106 3.192 1.688 7.093 1.00 31.33 C ATOM 0 H THR A 106 3.347 5.230 5.349 1.00 60.51 H new ATOM 0 HA THR A 106 4.902 2.930 5.432 1.00 63.42 H new ATOM 0 HB THR A 106 1.985 3.154 6.051 1.00 73.24 H new ATOM 0 HG1 THR A 106 2.653 3.878 8.185 1.00 0.01 H new ATOM 0 HG21 THR A 106 2.551 1.620 7.972 1.00 31.33 H new ATOM 0 HG22 THR A 106 2.927 0.900 6.388 1.00 31.33 H new ATOM 0 HG23 THR A 106 4.233 1.571 7.394 1.00 31.33 H new ATOM 1699 N MET A 107 2.330 2.659 3.341 1.00 54.34 N ATOM 1700 CA MET A 107 1.768 1.764 2.344 1.00 23.31 C ATOM 1701 C MET A 107 2.551 1.810 1.023 1.00 0.23 C ATOM 1702 O MET A 107 2.701 0.772 0.381 1.00 23.13 O ATOM 1703 CB MET A 107 0.263 2.016 2.218 1.00 14.23 C ATOM 1704 CG MET A 107 -0.107 3.202 1.318 1.00 62.22 C ATOM 1705 SD MET A 107 -1.483 4.240 1.878 1.00 12.23 S ATOM 1706 CE MET A 107 -2.832 3.042 1.912 1.00 31.34 C ATOM 0 H MET A 107 1.829 3.540 3.457 1.00 54.34 H new ATOM 0 HA MET A 107 1.878 0.730 2.671 1.00 23.31 H new ATOM 0 HB2 MET A 107 -0.212 1.116 1.827 1.00 14.23 H new ATOM 0 HB3 MET A 107 -0.149 2.188 3.212 1.00 14.23 H new ATOM 0 HG2 MET A 107 0.774 3.834 1.206 1.00 62.22 H new ATOM 0 HG3 MET A 107 -0.351 2.817 0.328 1.00 62.22 H new ATOM 0 HE1 MET A 107 -3.646 3.428 2.525 1.00 31.34 H new ATOM 0 HE2 MET A 107 -3.191 2.870 0.897 1.00 31.34 H new ATOM 0 HE3 MET A 107 -2.474 2.103 2.335 1.00 31.34 H new ATOM 1716 N THR A 108 3.126 2.955 0.626 1.00 34.53 N ATOM 1717 CA THR A 108 3.891 3.027 -0.622 1.00 52.14 C ATOM 1718 C THR A 108 5.110 2.101 -0.563 1.00 23.04 C ATOM 1719 O THR A 108 5.425 1.431 -1.540 1.00 72.11 O ATOM 1720 CB THR A 108 4.298 4.477 -0.946 1.00 63.01 C ATOM 1721 OG1 THR A 108 3.291 5.393 -0.577 1.00 25.54 O ATOM 1722 CG2 THR A 108 4.573 4.677 -2.438 1.00 72.42 C ATOM 0 H THR A 108 3.076 3.832 1.145 1.00 34.53 H new ATOM 0 HA THR A 108 3.249 2.684 -1.433 1.00 52.14 H new ATOM 0 HB THR A 108 5.207 4.660 -0.373 1.00 63.01 H new ATOM 0 HG1 THR A 108 3.581 6.303 -0.794 1.00 25.54 H new ATOM 0 HG21 THR A 108 4.856 5.714 -2.620 1.00 72.42 H new ATOM 0 HG22 THR A 108 5.384 4.019 -2.750 1.00 72.42 H new ATOM 0 HG23 THR A 108 3.675 4.441 -3.008 1.00 72.42 H new ATOM 1730 N ASN A 109 5.765 1.996 0.597 1.00 1.03 N ATOM 1731 CA ASN A 109 6.919 1.125 0.814 1.00 62.50 C ATOM 1732 C ASN A 109 6.611 -0.352 0.537 1.00 74.35 C ATOM 1733 O ASN A 109 7.521 -1.105 0.193 1.00 63.52 O ATOM 1734 CB ASN A 109 7.398 1.351 2.261 1.00 43.23 C ATOM 1735 CG ASN A 109 8.705 0.665 2.636 1.00 60.20 C ATOM 1736 OD1 ASN A 109 9.693 1.355 2.851 1.00 73.13 O ATOM 1737 ND2 ASN A 109 8.765 -0.644 2.826 1.00 23.41 N ATOM 0 H ASN A 109 5.501 2.526 1.427 1.00 1.03 H new ATOM 0 HA ASN A 109 7.707 1.381 0.106 1.00 62.50 H new ATOM 0 HB2 ASN A 109 7.511 2.423 2.424 1.00 43.23 H new ATOM 0 HB3 ASN A 109 6.619 1.006 2.941 1.00 43.23 H new ATOM 0 HD21 ASN A 109 9.632 -1.073 3.150 1.00 23.41 H new ATOM 0 HD22 ASN A 109 7.944 -1.223 2.648 1.00 23.41 H new ATOM 1744 N TRP A 110 5.348 -0.767 0.657 1.00 22.41 N ATOM 1745 CA TRP A 110 4.856 -2.080 0.251 1.00 14.21 C ATOM 1746 C TRP A 110 4.455 -2.089 -1.218 1.00 30.32 C ATOM 1747 O TRP A 110 4.725 -3.092 -1.869 1.00 34.04 O ATOM 1748 CB TRP A 110 3.714 -2.475 1.205 1.00 73.31 C ATOM 1749 CG TRP A 110 2.876 -3.679 0.875 1.00 52.34 C ATOM 1750 CD1 TRP A 110 3.150 -4.967 1.187 1.00 54.13 C ATOM 1751 CD2 TRP A 110 1.581 -3.703 0.204 1.00 41.23 C ATOM 1752 NE1 TRP A 110 2.133 -5.781 0.712 1.00 4.31 N ATOM 1753 CE2 TRP A 110 1.185 -5.063 0.016 1.00 52.30 C ATOM 1754 CE3 TRP A 110 0.761 -2.700 -0.358 1.00 64.51 C ATOM 1755 CZ2 TRP A 110 0.086 -5.417 -0.789 1.00 71.24 C ATOM 1756 CZ3 TRP A 110 -0.357 -3.046 -1.134 1.00 54.52 C ATOM 1757 CH2 TRP A 110 -0.689 -4.392 -1.352 1.00 4.11 C ATOM 0 H TRP A 110 4.617 -0.176 1.053 1.00 22.41 H new ATOM 0 HA TRP A 110 5.643 -2.830 0.330 1.00 14.21 H new ATOM 0 HB2 TRP A 110 4.149 -2.637 2.191 1.00 73.31 H new ATOM 0 HB3 TRP A 110 3.044 -1.620 1.289 1.00 73.31 H new ATOM 0 HD1 TRP A 110 4.024 -5.308 1.722 1.00 54.13 H new ATOM 0 HE1 TRP A 110 2.092 -6.789 0.860 1.00 4.31 H new ATOM 0 HE3 TRP A 110 0.995 -1.659 -0.190 1.00 64.51 H new ATOM 0 HZ2 TRP A 110 -0.155 -6.454 -0.969 1.00 71.24 H new ATOM 0 HZ3 TRP A 110 -0.968 -2.268 -1.568 1.00 54.52 H new ATOM 0 HH2 TRP A 110 -1.548 -4.641 -1.958 1.00 4.11 H new ATOM 1768 N LEU A 111 3.894 -1.022 -1.796 1.00 35.43 N ATOM 1769 CA LEU A 111 3.518 -1.019 -3.216 1.00 11.44 C ATOM 1770 C LEU A 111 4.714 -1.355 -4.121 1.00 54.35 C ATOM 1771 O LEU A 111 4.548 -2.132 -5.063 1.00 43.24 O ATOM 1772 CB LEU A 111 2.809 0.281 -3.623 1.00 74.53 C ATOM 1773 CG LEU A 111 1.383 0.463 -3.068 1.00 21.43 C ATOM 1774 CD1 LEU A 111 0.884 1.873 -3.399 1.00 51.20 C ATOM 1775 CD2 LEU A 111 0.398 -0.549 -3.669 1.00 62.22 C ATOM 0 H LEU A 111 3.690 -0.151 -1.305 1.00 35.43 H new ATOM 0 HA LEU A 111 2.789 -1.816 -3.360 1.00 11.44 H new ATOM 0 HB2 LEU A 111 3.418 1.124 -3.295 1.00 74.53 H new ATOM 0 HB3 LEU A 111 2.764 0.324 -4.711 1.00 74.53 H new ATOM 0 HG LEU A 111 1.430 0.304 -1.991 1.00 21.43 H new ATOM 0 HD11 LEU A 111 -0.125 2.003 -3.007 1.00 51.20 H new ATOM 0 HD12 LEU A 111 1.547 2.610 -2.946 1.00 51.20 H new ATOM 0 HD13 LEU A 111 0.874 2.011 -4.480 1.00 51.20 H new ATOM 0 HD21 LEU A 111 -0.594 -0.384 -3.250 1.00 62.22 H new ATOM 0 HD22 LEU A 111 0.360 -0.422 -4.751 1.00 62.22 H new ATOM 0 HD23 LEU A 111 0.728 -1.561 -3.434 1.00 62.22 H new ATOM 1787 N LEU A 112 5.926 -0.875 -3.801 1.00 13.14 N ATOM 1788 CA LEU A 112 7.149 -1.291 -4.497 1.00 75.14 C ATOM 1789 C LEU A 112 7.353 -2.805 -4.393 1.00 62.14 C ATOM 1790 O LEU A 112 7.558 -3.474 -5.400 1.00 52.35 O ATOM 1791 CB LEU A 112 8.395 -0.591 -3.922 1.00 5.14 C ATOM 1792 CG LEU A 112 8.638 0.876 -4.311 1.00 41.20 C ATOM 1793 CD1 LEU A 112 8.573 1.124 -5.820 1.00 54.11 C ATOM 1794 CD2 LEU A 112 7.698 1.822 -3.562 1.00 14.21 C ATOM 0 H LEU A 112 6.083 -0.193 -3.059 1.00 13.14 H new ATOM 0 HA LEU A 112 7.025 -1.005 -5.541 1.00 75.14 H new ATOM 0 HB2 LEU A 112 8.337 -0.644 -2.835 1.00 5.14 H new ATOM 0 HB3 LEU A 112 9.271 -1.166 -4.222 1.00 5.14 H new ATOM 0 HG LEU A 112 9.661 1.094 -4.006 1.00 41.20 H new ATOM 0 HD11 LEU A 112 8.753 2.180 -6.023 1.00 54.11 H new ATOM 0 HD12 LEU A 112 9.332 0.523 -6.321 1.00 54.11 H new ATOM 0 HD13 LEU A 112 7.587 0.846 -6.192 1.00 54.11 H new ATOM 0 HD21 LEU A 112 7.900 2.850 -3.864 1.00 14.21 H new ATOM 0 HD22 LEU A 112 6.664 1.571 -3.799 1.00 14.21 H new ATOM 0 HD23 LEU A 112 7.859 1.720 -2.489 1.00 14.21 H new ATOM 1806 N ALA A 113 7.297 -3.354 -3.178 1.00 5.34 N ATOM 1807 CA ALA A 113 7.550 -4.763 -2.877 1.00 1.33 C ATOM 1808 C ALA A 113 6.471 -5.694 -3.460 1.00 12.31 C ATOM 1809 O ALA A 113 6.613 -6.909 -3.375 1.00 33.23 O ATOM 1810 CB ALA A 113 7.708 -4.937 -1.362 1.00 14.05 C ATOM 0 H ALA A 113 7.066 -2.809 -2.347 1.00 5.34 H new ATOM 0 HA ALA A 113 8.479 -5.059 -3.364 1.00 1.33 H new ATOM 0 HB1 ALA A 113 7.897 -5.986 -1.134 1.00 14.05 H new ATOM 0 HB2 ALA A 113 8.545 -4.333 -1.012 1.00 14.05 H new ATOM 0 HB3 ALA A 113 6.795 -4.616 -0.862 1.00 14.05 H new ATOM 1816 N TYR A 114 5.421 -5.190 -4.101 1.00 1.01 N ATOM 1817 CA TYR A 114 4.650 -6.009 -5.038 1.00 71.32 C ATOM 1818 C TYR A 114 5.270 -6.008 -6.426 1.00 31.24 C ATOM 1819 O TYR A 114 5.562 -7.077 -6.962 1.00 2.02 O ATOM 1820 CB TYR A 114 3.227 -5.501 -5.062 1.00 70.21 C ATOM 1821 CG TYR A 114 2.221 -6.197 -5.945 1.00 15.30 C ATOM 1822 CD1 TYR A 114 1.727 -7.441 -5.529 1.00 25.42 C ATOM 1823 CD2 TYR A 114 1.569 -5.496 -6.973 1.00 63.04 C ATOM 1824 CE1 TYR A 114 0.535 -7.949 -6.064 1.00 51.23 C ATOM 1825 CE2 TYR A 114 0.371 -5.994 -7.520 1.00 52.11 C ATOM 1826 CZ TYR A 114 -0.160 -7.218 -7.052 1.00 72.50 C ATOM 1827 OH TYR A 114 -1.370 -7.659 -7.497 1.00 14.42 O ATOM 0 H TYR A 114 5.086 -4.233 -3.993 1.00 1.01 H new ATOM 0 HA TYR A 114 4.658 -7.046 -4.704 1.00 71.32 H new ATOM 0 HB2 TYR A 114 2.848 -5.534 -4.041 1.00 70.21 H new ATOM 0 HB3 TYR A 114 3.256 -4.452 -5.358 1.00 70.21 H new ATOM 0 HD1 TYR A 114 2.269 -8.013 -4.790 1.00 25.42 H new ATOM 0 HD2 TYR A 114 1.988 -4.573 -7.345 1.00 63.04 H new ATOM 0 HE1 TYR A 114 0.149 -8.898 -5.721 1.00 51.23 H new ATOM 0 HE2 TYR A 114 -0.141 -5.443 -8.295 1.00 52.11 H new ATOM 0 HH TYR A 114 -2.069 -7.389 -6.866 1.00 14.42 H new ATOM 1837 N ARG A 115 5.488 -4.834 -7.028 1.00 43.34 N ATOM 1838 CA ARG A 115 6.031 -4.743 -8.377 1.00 53.22 C ATOM 1839 C ARG A 115 7.353 -5.503 -8.495 1.00 73.24 C ATOM 1840 O ARG A 115 7.597 -6.204 -9.476 1.00 22.51 O ATOM 1841 CB ARG A 115 6.187 -3.258 -8.732 1.00 3.21 C ATOM 1842 CG ARG A 115 6.495 -3.138 -10.222 1.00 21.11 C ATOM 1843 CD ARG A 115 6.782 -1.704 -10.673 1.00 73.33 C ATOM 1844 NE ARG A 115 8.202 -1.365 -10.474 1.00 63.42 N ATOM 1845 CZ ARG A 115 9.205 -1.667 -11.319 1.00 70.43 C ATOM 1846 NH1 ARG A 115 8.970 -2.281 -12.478 1.00 71.22 N ATOM 1847 NH2 ARG A 115 10.465 -1.429 -10.987 1.00 31.25 N ATOM 0 H ARG A 115 5.294 -3.931 -6.595 1.00 43.34 H new ATOM 0 HA ARG A 115 5.349 -5.212 -9.086 1.00 53.22 H new ATOM 0 HB2 ARG A 115 5.274 -2.714 -8.490 1.00 3.21 H new ATOM 0 HB3 ARG A 115 6.989 -2.812 -8.144 1.00 3.21 H new ATOM 0 HG2 ARG A 115 7.356 -3.764 -10.458 1.00 21.11 H new ATOM 0 HG3 ARG A 115 5.651 -3.528 -10.792 1.00 21.11 H new ATOM 0 HD2 ARG A 115 6.521 -1.590 -11.725 1.00 73.33 H new ATOM 0 HD3 ARG A 115 6.156 -1.010 -10.112 1.00 73.33 H new ATOM 0 HE ARG A 115 8.446 -0.858 -9.623 1.00 63.42 H new ATOM 0 HH11 ARG A 115 8.016 -2.531 -12.739 1.00 71.22 H new ATOM 0 HH12 ARG A 115 9.744 -2.501 -13.105 1.00 71.22 H new ATOM 0 HH21 ARG A 115 10.684 -1.012 -10.082 1.00 31.25 H new ATOM 0 HH22 ARG A 115 11.216 -1.662 -11.636 1.00 31.25 H new ATOM 1861 N ARG A 116 8.208 -5.380 -7.490 1.00 32.44 N ATOM 1862 CA ARG A 116 9.510 -6.035 -7.324 1.00 43.44 C ATOM 1863 C ARG A 116 9.461 -7.567 -7.342 1.00 71.04 C ATOM 1864 O ARG A 116 10.480 -8.224 -7.572 1.00 2.23 O ATOM 1865 CB ARG A 116 10.143 -5.505 -6.034 1.00 31.04 C ATOM 1866 CG ARG A 116 10.645 -4.056 -6.125 1.00 70.22 C ATOM 1867 CD ARG A 116 11.877 -3.920 -7.029 1.00 72.43 C ATOM 1868 NE ARG A 116 13.118 -3.610 -6.304 1.00 34.24 N ATOM 1869 CZ ARG A 116 14.096 -2.834 -6.782 1.00 10.04 C ATOM 1870 NH1 ARG A 116 13.922 -2.100 -7.869 1.00 30.03 N ATOM 1871 NH2 ARG A 116 15.270 -2.777 -6.160 1.00 33.02 N ATOM 0 H ARG A 116 7.997 -4.770 -6.701 1.00 32.44 H new ATOM 0 HA ARG A 116 10.122 -5.785 -8.191 1.00 43.44 H new ATOM 0 HB2 ARG A 116 9.411 -5.574 -5.229 1.00 31.04 H new ATOM 0 HB3 ARG A 116 10.978 -6.150 -5.761 1.00 31.04 H new ATOM 0 HG2 ARG A 116 9.846 -3.421 -6.507 1.00 70.22 H new ATOM 0 HG3 ARG A 116 10.889 -3.695 -5.126 1.00 70.22 H new ATOM 0 HD2 ARG A 116 12.014 -4.849 -7.582 1.00 72.43 H new ATOM 0 HD3 ARG A 116 11.692 -3.136 -7.763 1.00 72.43 H new ATOM 0 HE ARG A 116 13.241 -4.014 -5.375 1.00 34.24 H new ATOM 0 HH11 ARG A 116 13.028 -2.119 -8.360 1.00 30.03 H new ATOM 0 HH12 ARG A 116 14.682 -1.515 -8.216 1.00 30.03 H new ATOM 0 HH21 ARG A 116 15.427 -3.327 -5.315 1.00 33.02 H new ATOM 0 HH22 ARG A 116 16.014 -2.184 -6.528 1.00 33.02 H new ATOM 1885 N SER A 117 8.284 -8.142 -7.141 1.00 11.23 N ATOM 1886 CA SER A 117 8.029 -9.566 -7.303 1.00 33.32 C ATOM 1887 C SER A 117 7.319 -9.900 -8.621 1.00 2.13 C ATOM 1888 O SER A 117 7.345 -11.055 -9.034 1.00 71.13 O ATOM 1889 CB SER A 117 7.157 -10.027 -6.147 1.00 23.41 C ATOM 1890 OG SER A 117 7.881 -10.160 -4.943 1.00 44.43 O ATOM 0 H SER A 117 7.458 -7.617 -6.853 1.00 11.23 H new ATOM 0 HA SER A 117 8.992 -10.077 -7.317 1.00 33.32 H new ATOM 0 HB2 SER A 117 6.345 -9.314 -6.002 1.00 23.41 H new ATOM 0 HB3 SER A 117 6.700 -10.984 -6.400 1.00 23.41 H new ATOM 0 HG SER A 117 7.278 -10.456 -4.230 1.00 44.43 H new ATOM 1896 N GLN A 118 6.701 -8.934 -9.304 1.00 24.10 N ATOM 1897 CA GLN A 118 6.099 -9.191 -10.609 1.00 22.31 C ATOM 1898 C GLN A 118 7.179 -9.249 -11.692 1.00 23.41 C ATOM 1899 O GLN A 118 7.069 -10.019 -12.643 1.00 35.35 O ATOM 1900 CB GLN A 118 5.080 -8.106 -10.958 1.00 41.24 C ATOM 1901 CG GLN A 118 3.788 -8.169 -10.129 1.00 42.31 C ATOM 1902 CD GLN A 118 2.722 -7.248 -10.705 1.00 30.15 C ATOM 1903 OE1 GLN A 118 2.902 -6.588 -11.723 1.00 75.24 O ATOM 1904 NE2 GLN A 118 1.587 -7.139 -10.047 1.00 61.42 N ATOM 0 H GLN A 118 6.606 -7.973 -8.976 1.00 24.10 H new ATOM 0 HA GLN A 118 5.587 -10.152 -10.561 1.00 22.31 H new ATOM 0 HB2 GLN A 118 5.543 -7.129 -10.816 1.00 41.24 H new ATOM 0 HB3 GLN A 118 4.825 -8.188 -12.015 1.00 41.24 H new ATOM 0 HG2 GLN A 118 3.415 -9.193 -10.108 1.00 42.31 H new ATOM 0 HG3 GLN A 118 4.000 -7.885 -9.098 1.00 42.31 H new ATOM 0 HE21 GLN A 118 1.434 -7.686 -9.200 1.00 61.42 H new ATOM 0 HE22 GLN A 118 0.861 -6.507 -10.384 1.00 61.42 H new ATOM 1913 N GLN A 119 8.219 -8.433 -11.521 1.00 42.34 N ATOM 1914 CA GLN A 119 9.384 -8.335 -12.387 1.00 4.43 C ATOM 1915 C GLN A 119 10.475 -9.324 -11.960 1.00 4.14 C ATOM 1916 O GLN A 119 11.639 -9.194 -12.345 1.00 23.45 O ATOM 1917 CB GLN A 119 9.892 -6.888 -12.403 1.00 43.13 C ATOM 1918 CG GLN A 119 10.733 -6.522 -11.172 1.00 62.11 C ATOM 1919 CD GLN A 119 10.811 -5.022 -10.946 1.00 30.53 C ATOM 1920 OE1 GLN A 119 9.843 -4.511 -10.208 1.00 32.03 O flip ATOM 1921 NE2 GLN A 119 11.706 -4.322 -11.405 1.00 64.44 N flip ATOM 0 H GLN A 119 8.270 -7.790 -10.731 1.00 42.34 H new ATOM 0 HA GLN A 119 9.099 -8.607 -13.403 1.00 4.43 H new ATOM 0 HB2 GLN A 119 10.489 -6.731 -13.301 1.00 43.13 H new ATOM 0 HB3 GLN A 119 9.039 -6.212 -12.465 1.00 43.13 H new ATOM 0 HG2 GLN A 119 10.305 -6.997 -10.289 1.00 62.11 H new ATOM 0 HG3 GLN A 119 11.740 -6.921 -11.292 1.00 62.11 H new ATOM 0 HE21 GLN A 119 12.442 -4.742 -11.972 1.00 64.44 H new ATOM 0 HE22 GLN A 119 11.715 -3.319 -11.220 1.00 64.44 H new ATOM 1930 N ASP A 120 10.116 -10.299 -11.132 1.00 51.21 N ATOM 1931 CA ASP A 120 11.013 -11.387 -10.806 1.00 45.34 C ATOM 1932 C ASP A 120 11.384 -12.112 -12.090 1.00 24.54 C ATOM 1933 O ASP A 120 12.533 -12.563 -12.222 1.00 73.21 O ATOM 1934 CB ASP A 120 10.402 -12.322 -9.772 1.00 0.54 C ATOM 1935 CG ASP A 120 11.440 -13.331 -9.301 1.00 23.01 C ATOM 1936 OD1 ASP A 120 12.358 -12.915 -8.555 1.00 21.45 O ATOM 1937 OD2 ASP A 120 11.256 -14.547 -9.511 1.00 54.12 O ATOM 0 H ASP A 120 9.205 -10.353 -10.676 1.00 51.21 H new ATOM 0 HA ASP A 120 11.920 -10.991 -10.350 1.00 45.34 H new ATOM 0 HB2 ASP A 120 10.032 -11.746 -8.924 1.00 0.54 H new ATOM 0 HB3 ASP A 120 9.546 -12.843 -10.202 1.00 0.54 H new TER 1942 ASP A 120