USER MOD reduce.3.24.130724 H: found=0, std=0, add=868, rem=0, adj=28 USER MOD reduce.3.24.130724 removed 871 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 12 GLN : amide:sc= 0.251 K(o=0.52,f=-0.52) USER MOD Set 1.2: A 67 TYR OH : rot 80:sc= 0.268 USER MOD Set 2.1: A 19 GLN : amide:sc= 0.122 K(o=0.19,f=-0.95) USER MOD Set 2.2: A 70 GLN : amide:sc= 0.0648 X(o=0.19,f=-0.29) USER MOD Set 3.1: A 18 SER OG : rot 98:sc= 0.0423 USER MOD Set 3.2: A 40 TYR OH : rot 35:sc= 0.467 USER MOD Set 3.3: A 71 THR OG1 : rot -121:sc= -0.932 USER MOD Single : A 2 THR OG1 : rot -27:sc= 0.171 USER MOD Single : A 3 SER OG : rot 180:sc= 0 USER MOD Single : A 4 THR OG1 : rot 180:sc= 0 USER MOD Single : A 9 ASN :FLIP amide:sc= 0 F(o=-1.3,f=0) USER MOD Single : A 20 SER OG : rot 84:sc= 0.853 USER MOD Single : A 26 GLN : amide:sc= -0.658 X(o=-0.66,f=-0.49) USER MOD Single : A 35 GLN : amide:sc= 0 X(o=0,f=0.045) USER MOD Single : A 36 GLN :FLIP amide:sc= -0.0489 F(o=-1.8,f=-0.049) USER MOD Single : A 39 SER OG : rot 180:sc= 0 USER MOD Single : A 42 GLN :FLIP amide:sc= 0 F(o=-0.61,f=0) USER MOD Single : A 43 SER OG : rot 80:sc= -0.152 USER MOD Single : A 46 THR OG1 : rot 21:sc= 0.051 USER MOD Single : A 48 MET CE :methyl -159:sc= -0.139 (180deg=-1.03) USER MOD Single : A 57 THR OG1 : rot 180:sc= -0.037 USER MOD Single : A 59 SER OG : rot 180:sc= 0 USER MOD Single : A 61 GLN : amide:sc= -0.256 K(o=-0.26,f=-0.77) USER MOD Single : A 63 MET CE :methyl 158:sc= -1.05 (180deg=-2.21!) USER MOD Single : A 69 LYS NZ :NH3+ -178:sc= 0 (180deg=-0.0174) USER MOD Single : A 74 ASN : amide:sc= -1.09 K(o=-1.1,f=-1.8!) USER MOD Single : A 76 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 79 LYS NZ :NH3+ 158:sc= 0.765 (180deg=0.268) USER MOD Single : A 83 GLN : amide:sc= -0.12 X(o=-0.12,f=-0.13) USER MOD Single : A 84 GLN : amide:sc=-0.00909 X(o=-0.0091,f=-0.24) USER MOD Single : A 90 SER OG : rot 180:sc= 0 USER MOD Single : A1001 MET CE :methyl 157:sc= -0.133 (180deg=-0.615) USER MOD Single : A1002 THR OG1 : rot 180:sc= 0 USER MOD Single : A1003 THR OG1 : rot 180:sc= 0 USER MOD Single : A1006 THR OG1 : rot -73:sc= 0.263 USER MOD Single : A1010 THR OG1 : rot 180:sc= 0 USER MOD Single : A1014 ASN : amide:sc= -0.99 K(o=-0.99,f=-2.1!) USER MOD Single : A1018 LYS NZ :NH3+ 179:sc= 0 (180deg=-0.00148) USER MOD Single : A1019 MET CE :methyl -169:sc= -4.61! (180deg=-5.02!) USER MOD ----------------------------------------------------------------- ATOM 20 N THR A 2 3.020 -5.026 23.301 1.00 60.33 N ATOM 21 CA THR A 2 2.027 -4.218 22.569 1.00 51.30 C ATOM 22 C THR A 2 2.606 -3.607 21.274 1.00 14.32 C ATOM 23 O THR A 2 2.052 -3.833 20.197 1.00 32.31 O ATOM 24 CB THR A 2 1.440 -3.095 23.484 1.00 34.21 C ATOM 25 OG1 THR A 2 2.507 -2.360 24.102 1.00 62.03 O ATOM 26 CG2 THR A 2 0.518 -3.664 24.580 1.00 12.43 C ATOM 0 HA THR A 2 1.223 -4.894 22.278 1.00 51.30 H new ATOM 0 HB THR A 2 0.846 -2.438 22.849 1.00 34.21 H new ATOM 0 HG1 THR A 2 3.295 -2.937 24.188 1.00 62.03 H new ATOM 0 HG21 THR A 2 0.133 -2.848 25.192 1.00 12.43 H new ATOM 0 HG22 THR A 2 -0.314 -4.194 24.116 1.00 12.43 H new ATOM 0 HG23 THR A 2 1.082 -4.353 25.208 1.00 12.43 H new ATOM 34 N SER A 3 3.757 -2.904 21.395 1.00 22.13 N ATOM 35 CA SER A 3 4.420 -2.231 20.263 1.00 24.43 C ATOM 36 C SER A 3 4.867 -3.232 19.178 1.00 75.04 C ATOM 37 O SER A 3 4.696 -2.971 17.986 1.00 43.24 O ATOM 38 CB SER A 3 5.614 -1.409 20.779 1.00 35.00 C ATOM 39 OG SER A 3 5.203 -0.492 21.778 1.00 33.03 O ATOM 0 H SER A 3 4.248 -2.790 22.282 1.00 22.13 H new ATOM 0 HA SER A 3 3.698 -1.562 19.795 1.00 24.43 H new ATOM 0 HB2 SER A 3 6.373 -2.078 21.184 1.00 35.00 H new ATOM 0 HB3 SER A 3 6.074 -0.869 19.951 1.00 35.00 H new ATOM 0 HG SER A 3 5.978 0.018 22.093 1.00 33.03 H new ATOM 45 N THR A 4 5.406 -4.383 19.621 1.00 62.10 N ATOM 46 CA THR A 4 5.868 -5.471 18.740 1.00 5.13 C ATOM 47 C THR A 4 4.708 -5.999 17.874 1.00 52.51 C ATOM 48 O THR A 4 4.763 -5.933 16.634 1.00 1.41 O ATOM 49 CB THR A 4 6.497 -6.633 19.590 1.00 32.01 C ATOM 50 OG1 THR A 4 7.619 -6.124 20.330 1.00 24.03 O ATOM 51 CG2 THR A 4 6.947 -7.833 18.730 1.00 44.12 C ATOM 0 H THR A 4 5.534 -4.586 20.612 1.00 62.10 H new ATOM 0 HA THR A 4 6.635 -5.074 18.075 1.00 5.13 H new ATOM 0 HB THR A 4 5.721 -6.998 20.263 1.00 32.01 H new ATOM 0 HG1 THR A 4 8.014 -6.845 20.863 1.00 24.03 H new ATOM 0 HG21 THR A 4 7.373 -8.603 19.374 1.00 44.12 H new ATOM 0 HG22 THR A 4 6.088 -8.241 18.196 1.00 44.12 H new ATOM 0 HG23 THR A 4 7.698 -7.504 18.012 1.00 44.12 H new ATOM 59 N VAL A 5 3.637 -6.448 18.558 1.00 20.43 N ATOM 60 CA VAL A 5 2.462 -7.050 17.922 1.00 34.34 C ATOM 61 C VAL A 5 1.805 -6.065 16.944 1.00 20.10 C ATOM 62 O VAL A 5 1.641 -6.391 15.771 1.00 44.41 O ATOM 63 CB VAL A 5 1.416 -7.553 18.995 1.00 21.11 C ATOM 64 CG1 VAL A 5 0.105 -8.058 18.335 1.00 44.22 C ATOM 65 CG2 VAL A 5 2.037 -8.656 19.889 1.00 2.41 C ATOM 0 H VAL A 5 3.569 -6.400 19.575 1.00 20.43 H new ATOM 0 HA VAL A 5 2.803 -7.919 17.359 1.00 34.34 H new ATOM 0 HB VAL A 5 1.157 -6.699 19.621 1.00 21.11 H new ATOM 0 HG11 VAL A 5 -0.586 -8.394 19.108 1.00 44.22 H new ATOM 0 HG12 VAL A 5 -0.352 -7.247 17.768 1.00 44.22 H new ATOM 0 HG13 VAL A 5 0.331 -8.887 17.665 1.00 44.22 H new ATOM 0 HG21 VAL A 5 1.301 -8.989 20.621 1.00 2.41 H new ATOM 0 HG22 VAL A 5 2.339 -9.500 19.269 1.00 2.41 H new ATOM 0 HG23 VAL A 5 2.909 -8.256 20.407 1.00 2.41 H new ATOM 75 N GLU A 6 1.501 -4.835 17.422 1.00 44.31 N ATOM 76 CA GLU A 6 0.766 -3.845 16.618 1.00 14.11 C ATOM 77 C GLU A 6 1.582 -3.420 15.380 1.00 75.34 C ATOM 78 O GLU A 6 1.024 -3.329 14.305 1.00 34.14 O ATOM 79 CB GLU A 6 0.332 -2.616 17.471 1.00 72.12 C ATOM 80 CG GLU A 6 1.470 -1.676 17.925 1.00 64.24 C ATOM 81 CD GLU A 6 1.009 -0.590 18.909 1.00 32.52 C ATOM 82 OE1 GLU A 6 1.506 -0.535 20.053 1.00 13.34 O ATOM 83 OE2 GLU A 6 0.161 0.239 18.527 1.00 11.35 O ATOM 0 H GLU A 6 1.754 -4.511 18.356 1.00 44.31 H new ATOM 0 HA GLU A 6 -0.147 -4.323 16.263 1.00 14.11 H new ATOM 0 HB2 GLU A 6 -0.387 -2.033 16.895 1.00 72.12 H new ATOM 0 HB3 GLU A 6 -0.189 -2.979 18.357 1.00 72.12 H new ATOM 0 HG2 GLU A 6 2.256 -2.269 18.392 1.00 64.24 H new ATOM 0 HG3 GLU A 6 1.909 -1.199 17.049 1.00 64.24 H new ATOM 90 N PHE A 7 2.913 -3.243 15.537 1.00 14.13 N ATOM 91 CA PHE A 7 3.825 -2.854 14.427 1.00 71.23 C ATOM 92 C PHE A 7 3.828 -3.921 13.309 1.00 25.32 C ATOM 93 O PHE A 7 3.587 -3.614 12.132 1.00 74.12 O ATOM 94 CB PHE A 7 5.250 -2.654 14.999 1.00 12.34 C ATOM 95 CG PHE A 7 6.327 -2.204 14.011 1.00 1.54 C ATOM 96 CD1 PHE A 7 7.441 -3.008 13.737 1.00 41.54 C ATOM 97 CD2 PHE A 7 6.251 -0.955 13.392 1.00 4.51 C ATOM 98 CE1 PHE A 7 8.436 -2.573 12.884 1.00 74.02 C ATOM 99 CE2 PHE A 7 7.243 -0.528 12.534 1.00 24.24 C ATOM 100 CZ PHE A 7 8.339 -1.335 12.282 1.00 14.44 C ATOM 0 H PHE A 7 3.388 -3.364 16.431 1.00 14.13 H new ATOM 0 HA PHE A 7 3.474 -1.922 13.983 1.00 71.23 H new ATOM 0 HB2 PHE A 7 5.195 -1.918 15.801 1.00 12.34 H new ATOM 0 HB3 PHE A 7 5.571 -3.593 15.449 1.00 12.34 H new ATOM 0 HD1 PHE A 7 7.523 -3.981 14.199 1.00 41.54 H new ATOM 0 HD2 PHE A 7 5.404 -0.314 13.588 1.00 4.51 H new ATOM 0 HE1 PHE A 7 9.291 -3.203 12.688 1.00 74.02 H new ATOM 0 HE2 PHE A 7 7.164 0.438 12.058 1.00 24.24 H new ATOM 0 HZ PHE A 7 9.118 -0.996 11.615 1.00 14.44 H new ATOM 110 N ILE A 8 4.060 -5.181 13.724 1.00 23.43 N ATOM 111 CA ILE A 8 4.151 -6.345 12.818 1.00 12.44 C ATOM 112 C ILE A 8 2.779 -6.653 12.167 1.00 74.52 C ATOM 113 O ILE A 8 2.722 -7.068 11.008 1.00 44.04 O ATOM 114 CB ILE A 8 4.702 -7.591 13.616 1.00 13.33 C ATOM 115 CG1 ILE A 8 6.136 -7.285 14.157 1.00 61.05 C ATOM 116 CG2 ILE A 8 4.702 -8.890 12.773 1.00 21.34 C ATOM 117 CD1 ILE A 8 6.691 -8.336 15.091 1.00 61.01 C ATOM 0 H ILE A 8 4.191 -5.423 14.706 1.00 23.43 H new ATOM 0 HA ILE A 8 4.844 -6.113 12.009 1.00 12.44 H new ATOM 0 HB ILE A 8 4.026 -7.765 14.453 1.00 13.33 H new ATOM 0 HG12 ILE A 8 6.814 -7.175 13.311 1.00 61.05 H new ATOM 0 HG13 ILE A 8 6.118 -6.328 14.678 1.00 61.05 H new ATOM 0 HG21 ILE A 8 5.091 -9.713 13.373 1.00 21.34 H new ATOM 0 HG22 ILE A 8 3.684 -9.120 12.458 1.00 21.34 H new ATOM 0 HG23 ILE A 8 5.331 -8.753 11.894 1.00 21.34 H new ATOM 0 HD11 ILE A 8 7.689 -8.042 15.417 1.00 61.01 H new ATOM 0 HD12 ILE A 8 6.039 -8.432 15.959 1.00 61.01 H new ATOM 0 HD13 ILE A 8 6.746 -9.292 14.571 1.00 61.01 H new ATOM 129 N ASN A 9 1.684 -6.403 12.915 1.00 5.52 N ATOM 130 CA ASN A 9 0.296 -6.659 12.449 1.00 51.30 C ATOM 131 C ASN A 9 -0.220 -5.526 11.546 1.00 52.10 C ATOM 132 O ASN A 9 -1.125 -5.751 10.740 1.00 4.41 O ATOM 133 CB ASN A 9 -0.672 -6.876 13.650 1.00 11.22 C ATOM 134 CG ASN A 9 -0.502 -8.225 14.378 1.00 45.23 C ATOM 135 OD1 ASN A 9 0.721 -8.747 14.477 1.00 75.32 O flip ATOM 136 ND2 ASN A 9 -1.476 -8.797 14.871 1.00 13.22 N flip ATOM 0 H ASN A 9 1.732 -6.018 13.859 1.00 5.52 H new ATOM 0 HA ASN A 9 0.323 -7.574 11.858 1.00 51.30 H new ATOM 0 HB2 ASN A 9 -0.525 -6.070 14.368 1.00 11.22 H new ATOM 0 HB3 ASN A 9 -1.698 -6.799 13.291 1.00 11.22 H new ATOM 0 HD21 ASN A 9 -2.405 -8.385 14.787 1.00 13.22 H new ATOM 0 HD22 ASN A 9 -1.353 -9.682 15.363 1.00 13.22 H new ATOM 143 N ARG A 10 0.341 -4.310 11.700 1.00 21.02 N ATOM 144 CA ARG A 10 0.053 -3.178 10.794 1.00 34.41 C ATOM 145 C ARG A 10 0.744 -3.433 9.450 1.00 55.12 C ATOM 146 O ARG A 10 0.124 -3.273 8.401 1.00 3.34 O ATOM 147 CB ARG A 10 0.506 -1.816 11.403 1.00 52.41 C ATOM 148 CG ARG A 10 -0.364 -1.316 12.577 1.00 50.13 C ATOM 149 CD ARG A 10 0.244 -0.103 13.320 1.00 21.34 C ATOM 150 NE ARG A 10 -0.516 0.227 14.542 1.00 53.43 N ATOM 151 CZ ARG A 10 -0.500 1.407 15.194 1.00 33.15 C ATOM 152 NH1 ARG A 10 0.253 2.424 14.770 1.00 11.21 N ATOM 153 NH2 ARG A 10 -1.241 1.560 16.283 1.00 32.14 N ATOM 0 H ARG A 10 0.999 -4.085 12.446 1.00 21.02 H new ATOM 0 HA ARG A 10 -1.025 -3.110 10.648 1.00 34.41 H new ATOM 0 HB2 ARG A 10 1.536 -1.911 11.746 1.00 52.41 H new ATOM 0 HB3 ARG A 10 0.500 -1.061 10.616 1.00 52.41 H new ATOM 0 HG2 ARG A 10 -1.350 -1.044 12.199 1.00 50.13 H new ATOM 0 HG3 ARG A 10 -0.508 -2.132 13.286 1.00 50.13 H new ATOM 0 HD2 ARG A 10 1.279 -0.319 13.583 1.00 21.34 H new ATOM 0 HD3 ARG A 10 0.258 0.761 12.656 1.00 21.34 H new ATOM 0 HE ARG A 10 -1.109 -0.507 14.929 1.00 53.43 H new ATOM 0 HH11 ARG A 10 0.832 2.317 13.937 1.00 11.21 H new ATOM 0 HH12 ARG A 10 0.250 3.308 15.279 1.00 11.21 H new ATOM 0 HH21 ARG A 10 -1.817 0.789 16.621 1.00 32.14 H new ATOM 0 HH22 ARG A 10 -1.235 2.449 16.783 1.00 32.14 H new ATOM 167 N TRP A 11 2.023 -3.873 9.504 1.00 43.44 N ATOM 168 CA TRP A 11 2.775 -4.296 8.299 1.00 53.05 C ATOM 169 C TRP A 11 2.086 -5.478 7.601 1.00 11.01 C ATOM 170 O TRP A 11 2.023 -5.525 6.366 1.00 41.31 O ATOM 171 CB TRP A 11 4.245 -4.680 8.641 1.00 24.13 C ATOM 172 CG TRP A 11 5.172 -3.502 8.760 1.00 53.44 C ATOM 173 CD1 TRP A 11 5.889 -3.119 9.851 1.00 31.03 C ATOM 174 CD2 TRP A 11 5.463 -2.537 7.732 1.00 54.12 C ATOM 175 NE1 TRP A 11 6.616 -1.995 9.562 1.00 30.55 N ATOM 176 CE2 TRP A 11 6.369 -1.615 8.276 1.00 64.01 C ATOM 177 CE3 TRP A 11 5.048 -2.369 6.405 1.00 33.31 C ATOM 178 CZ2 TRP A 11 6.868 -0.541 7.551 1.00 35.52 C ATOM 179 CZ3 TRP A 11 5.537 -1.300 5.687 1.00 13.13 C ATOM 180 CH2 TRP A 11 6.439 -0.397 6.263 1.00 61.23 C ATOM 0 H TRP A 11 2.556 -3.944 10.371 1.00 43.44 H new ATOM 0 HA TRP A 11 2.789 -3.441 7.623 1.00 53.05 H new ATOM 0 HB2 TRP A 11 4.256 -5.234 9.579 1.00 24.13 H new ATOM 0 HB3 TRP A 11 4.623 -5.351 7.870 1.00 24.13 H new ATOM 0 HD1 TRP A 11 5.885 -3.627 10.804 1.00 31.03 H new ATOM 0 HE1 TRP A 11 7.244 -1.517 10.208 1.00 30.55 H new ATOM 0 HE3 TRP A 11 4.357 -3.065 5.953 1.00 33.31 H new ATOM 0 HZ2 TRP A 11 7.569 0.154 7.989 1.00 35.52 H new ATOM 0 HZ3 TRP A 11 5.220 -1.156 4.665 1.00 13.13 H new ATOM 0 HH2 TRP A 11 6.804 0.432 5.675 1.00 61.23 H new ATOM 191 N GLN A 12 1.585 -6.424 8.410 1.00 61.12 N ATOM 192 CA GLN A 12 0.870 -7.610 7.926 1.00 43.33 C ATOM 193 C GLN A 12 -0.439 -7.201 7.248 1.00 42.32 C ATOM 194 O GLN A 12 -0.786 -7.741 6.196 1.00 40.32 O ATOM 195 CB GLN A 12 0.595 -8.587 9.094 1.00 51.34 C ATOM 196 CG GLN A 12 -0.070 -9.913 8.677 1.00 13.22 C ATOM 197 CD GLN A 12 -0.243 -10.895 9.831 1.00 63.13 C ATOM 198 OE1 GLN A 12 0.558 -10.926 10.770 1.00 31.30 O ATOM 199 NE2 GLN A 12 -1.287 -11.707 9.775 1.00 4.32 N ATOM 0 H GLN A 12 1.666 -6.385 9.426 1.00 61.12 H new ATOM 0 HA GLN A 12 1.495 -8.119 7.192 1.00 43.33 H new ATOM 0 HB2 GLN A 12 1.538 -8.810 9.594 1.00 51.34 H new ATOM 0 HB3 GLN A 12 -0.043 -8.089 9.824 1.00 51.34 H new ATOM 0 HG2 GLN A 12 -1.046 -9.700 8.242 1.00 13.22 H new ATOM 0 HG3 GLN A 12 0.530 -10.382 7.898 1.00 13.22 H new ATOM 0 HE21 GLN A 12 -1.931 -11.656 8.985 1.00 4.32 H new ATOM 0 HE22 GLN A 12 -1.448 -12.383 10.522 1.00 4.32 H new ATOM 208 N ARG A 13 -1.126 -6.210 7.847 1.00 54.14 N ATOM 209 CA ARG A 13 -2.390 -5.682 7.330 1.00 71.41 C ATOM 210 C ARG A 13 -2.180 -5.066 5.937 1.00 4.33 C ATOM 211 O ARG A 13 -2.930 -5.374 5.016 1.00 51.12 O ATOM 212 CB ARG A 13 -3.007 -4.646 8.309 1.00 75.34 C ATOM 213 CG ARG A 13 -4.450 -4.184 7.972 1.00 64.50 C ATOM 214 CD ARG A 13 -5.513 -5.305 8.080 1.00 51.33 C ATOM 215 NE ARG A 13 -5.483 -6.249 6.937 1.00 51.31 N ATOM 216 CZ ARG A 13 -5.444 -7.595 7.028 1.00 62.41 C ATOM 217 NH1 ARG A 13 -5.416 -8.202 8.210 1.00 4.34 N ATOM 218 NH2 ARG A 13 -5.480 -8.328 5.929 1.00 71.41 N ATOM 0 H ARG A 13 -0.814 -5.756 8.705 1.00 54.14 H new ATOM 0 HA ARG A 13 -3.095 -6.509 7.239 1.00 71.41 H new ATOM 0 HB2 ARG A 13 -3.006 -5.074 9.311 1.00 75.34 H new ATOM 0 HB3 ARG A 13 -2.361 -3.769 8.337 1.00 75.34 H new ATOM 0 HG2 ARG A 13 -4.726 -3.370 8.643 1.00 64.50 H new ATOM 0 HG3 ARG A 13 -4.464 -3.781 6.959 1.00 64.50 H new ATOM 0 HD2 ARG A 13 -5.355 -5.859 9.005 1.00 51.33 H new ATOM 0 HD3 ARG A 13 -6.503 -4.853 8.144 1.00 51.33 H new ATOM 0 HE ARG A 13 -5.493 -5.846 6.000 1.00 51.31 H new ATOM 0 HH11 ARG A 13 -5.424 -7.649 9.067 1.00 4.34 H new ATOM 0 HH12 ARG A 13 -5.387 -9.220 8.260 1.00 4.34 H new ATOM 0 HH21 ARG A 13 -5.537 -7.876 5.016 1.00 71.41 H new ATOM 0 HH22 ARG A 13 -5.451 -9.346 5.993 1.00 71.41 H new ATOM 232 N ILE A 14 -1.106 -4.260 5.799 1.00 72.01 N ATOM 233 CA ILE A 14 -0.737 -3.610 4.523 1.00 72.04 C ATOM 234 C ILE A 14 -0.376 -4.659 3.458 1.00 11.30 C ATOM 235 O ILE A 14 -0.840 -4.571 2.335 1.00 30.22 O ATOM 236 CB ILE A 14 0.484 -2.635 4.698 1.00 54.54 C ATOM 237 CG1 ILE A 14 0.199 -1.586 5.791 1.00 65.32 C ATOM 238 CG2 ILE A 14 0.849 -1.922 3.375 1.00 12.22 C ATOM 239 CD1 ILE A 14 1.384 -0.723 6.134 1.00 54.25 C ATOM 0 H ILE A 14 -0.471 -4.042 6.567 1.00 72.01 H new ATOM 0 HA ILE A 14 -1.607 -3.037 4.201 1.00 72.04 H new ATOM 0 HB ILE A 14 1.334 -3.246 5.000 1.00 54.54 H new ATOM 0 HG12 ILE A 14 -0.620 -0.947 5.462 1.00 65.32 H new ATOM 0 HG13 ILE A 14 -0.138 -2.098 6.692 1.00 65.32 H new ATOM 0 HG21 ILE A 14 1.697 -1.258 3.541 1.00 12.22 H new ATOM 0 HG22 ILE A 14 1.112 -2.665 2.622 1.00 12.22 H new ATOM 0 HG23 ILE A 14 -0.005 -1.340 3.028 1.00 12.22 H new ATOM 0 HD11 ILE A 14 1.103 -0.011 6.910 1.00 54.25 H new ATOM 0 HD12 ILE A 14 2.199 -1.351 6.495 1.00 54.25 H new ATOM 0 HD13 ILE A 14 1.709 -0.182 5.246 1.00 54.25 H new ATOM 251 N ALA A 15 0.441 -5.660 3.853 1.00 33.35 N ATOM 252 CA ALA A 15 0.950 -6.706 2.943 1.00 62.14 C ATOM 253 C ALA A 15 -0.195 -7.536 2.338 1.00 20.35 C ATOM 254 O ALA A 15 -0.276 -7.696 1.115 1.00 51.22 O ATOM 255 CB ALA A 15 1.935 -7.614 3.686 1.00 73.31 C ATOM 0 H ALA A 15 0.766 -5.764 4.814 1.00 33.35 H new ATOM 0 HA ALA A 15 1.468 -6.213 2.120 1.00 62.14 H new ATOM 0 HB1 ALA A 15 2.305 -8.382 3.007 1.00 73.31 H new ATOM 0 HB2 ALA A 15 2.772 -7.020 4.052 1.00 73.31 H new ATOM 0 HB3 ALA A 15 1.430 -8.087 4.528 1.00 73.31 H new ATOM 261 N LEU A 16 -1.090 -8.025 3.225 1.00 51.35 N ATOM 262 CA LEU A 16 -2.261 -8.829 2.837 1.00 40.12 C ATOM 263 C LEU A 16 -3.234 -7.994 1.981 1.00 3.13 C ATOM 264 O LEU A 16 -3.744 -8.478 0.968 1.00 1.51 O ATOM 265 CB LEU A 16 -2.977 -9.395 4.094 1.00 10.11 C ATOM 266 CG LEU A 16 -2.137 -10.364 4.993 1.00 21.13 C ATOM 267 CD1 LEU A 16 -2.923 -10.778 6.256 1.00 43.32 C ATOM 268 CD2 LEU A 16 -1.656 -11.601 4.205 1.00 73.52 C ATOM 0 H LEU A 16 -1.017 -7.871 4.231 1.00 51.35 H new ATOM 0 HA LEU A 16 -1.916 -9.670 2.235 1.00 40.12 H new ATOM 0 HB2 LEU A 16 -3.305 -8.556 4.708 1.00 10.11 H new ATOM 0 HB3 LEU A 16 -3.874 -9.921 3.769 1.00 10.11 H new ATOM 0 HG LEU A 16 -1.250 -9.819 5.315 1.00 21.13 H new ATOM 0 HD11 LEU A 16 -2.314 -11.451 6.860 1.00 43.32 H new ATOM 0 HD12 LEU A 16 -3.169 -9.890 6.839 1.00 43.32 H new ATOM 0 HD13 LEU A 16 -3.842 -11.286 5.963 1.00 43.32 H new ATOM 0 HD21 LEU A 16 -1.077 -12.249 4.863 1.00 73.52 H new ATOM 0 HD22 LEU A 16 -2.519 -12.148 3.824 1.00 73.52 H new ATOM 0 HD23 LEU A 16 -1.032 -11.281 3.370 1.00 73.52 H new ATOM 280 N LEU A 17 -3.447 -6.721 2.384 1.00 31.22 N ATOM 281 CA LEU A 17 -4.269 -5.760 1.617 1.00 43.45 C ATOM 282 C LEU A 17 -3.648 -5.488 0.234 1.00 73.14 C ATOM 283 O LEU A 17 -4.364 -5.436 -0.742 1.00 33.43 O ATOM 284 CB LEU A 17 -4.458 -4.418 2.398 1.00 51.41 C ATOM 285 CG LEU A 17 -5.555 -4.407 3.514 1.00 51.13 C ATOM 286 CD1 LEU A 17 -5.441 -3.150 4.403 1.00 70.32 C ATOM 287 CD2 LEU A 17 -6.966 -4.518 2.897 1.00 1.12 C ATOM 0 H LEU A 17 -3.057 -6.334 3.243 1.00 31.22 H new ATOM 0 HA LEU A 17 -5.251 -6.211 1.476 1.00 43.45 H new ATOM 0 HB2 LEU A 17 -3.505 -4.152 2.854 1.00 51.41 H new ATOM 0 HB3 LEU A 17 -4.696 -3.635 1.678 1.00 51.41 H new ATOM 0 HG LEU A 17 -5.390 -5.277 4.149 1.00 51.13 H new ATOM 0 HD11 LEU A 17 -6.217 -3.174 5.168 1.00 70.32 H new ATOM 0 HD12 LEU A 17 -4.462 -3.130 4.881 1.00 70.32 H new ATOM 0 HD13 LEU A 17 -5.564 -2.258 3.789 1.00 70.32 H new ATOM 0 HD21 LEU A 17 -7.712 -4.508 3.691 1.00 1.12 H new ATOM 0 HD22 LEU A 17 -7.138 -3.675 2.228 1.00 1.12 H new ATOM 0 HD23 LEU A 17 -7.045 -5.449 2.336 1.00 1.12 H new ATOM 299 N SER A 18 -2.314 -5.384 0.170 1.00 62.43 N ATOM 300 CA SER A 18 -1.587 -4.998 -1.057 1.00 32.52 C ATOM 301 C SER A 18 -1.670 -6.110 -2.112 1.00 44.51 C ATOM 302 O SER A 18 -1.917 -5.835 -3.290 1.00 21.45 O ATOM 303 CB SER A 18 -0.112 -4.672 -0.721 1.00 70.21 C ATOM 304 OG SER A 18 0.557 -4.044 -1.807 1.00 25.22 O ATOM 0 H SER A 18 -1.703 -5.565 0.967 1.00 62.43 H new ATOM 0 HA SER A 18 -2.056 -4.106 -1.472 1.00 32.52 H new ATOM 0 HB2 SER A 18 -0.075 -4.021 0.152 1.00 70.21 H new ATOM 0 HB3 SER A 18 0.411 -5.591 -0.456 1.00 70.21 H new ATOM 0 HG SER A 18 0.561 -3.073 -1.671 1.00 25.22 H new ATOM 310 N GLN A 19 -1.479 -7.371 -1.667 1.00 13.03 N ATOM 311 CA GLN A 19 -1.557 -8.542 -2.559 1.00 75.24 C ATOM 312 C GLN A 19 -3.014 -8.837 -2.975 1.00 74.41 C ATOM 313 O GLN A 19 -3.257 -9.235 -4.122 1.00 21.20 O ATOM 314 CB GLN A 19 -0.876 -9.776 -1.913 1.00 3.24 C ATOM 315 CG GLN A 19 -1.464 -10.242 -0.574 1.00 61.14 C ATOM 316 CD GLN A 19 -0.601 -11.284 0.154 1.00 11.13 C ATOM 317 OE1 GLN A 19 0.629 -11.290 0.044 1.00 33.14 O ATOM 318 NE2 GLN A 19 -1.234 -12.170 0.903 1.00 55.35 N ATOM 0 H GLN A 19 -1.270 -7.601 -0.696 1.00 13.03 H new ATOM 0 HA GLN A 19 -1.009 -8.308 -3.472 1.00 75.24 H new ATOM 0 HB2 GLN A 19 -0.927 -10.605 -2.618 1.00 3.24 H new ATOM 0 HB3 GLN A 19 0.179 -9.548 -1.765 1.00 3.24 H new ATOM 0 HG2 GLN A 19 -1.596 -9.376 0.075 1.00 61.14 H new ATOM 0 HG3 GLN A 19 -2.454 -10.663 -0.750 1.00 61.14 H new ATOM 0 HE21 GLN A 19 -2.251 -12.142 0.976 1.00 55.35 H new ATOM 0 HE22 GLN A 19 -0.706 -12.882 1.408 1.00 55.35 H new ATOM 327 N SER A 20 -3.983 -8.588 -2.053 1.00 12.44 N ATOM 328 CA SER A 20 -5.423 -8.709 -2.360 1.00 14.02 C ATOM 329 C SER A 20 -5.829 -7.686 -3.435 1.00 72.01 C ATOM 330 O SER A 20 -6.367 -8.057 -4.482 1.00 72.13 O ATOM 331 CB SER A 20 -6.285 -8.529 -1.088 1.00 65.51 C ATOM 332 OG SER A 20 -6.070 -9.594 -0.180 1.00 74.43 O ATOM 0 H SER A 20 -3.787 -8.303 -1.094 1.00 12.44 H new ATOM 0 HA SER A 20 -5.602 -9.713 -2.745 1.00 14.02 H new ATOM 0 HB2 SER A 20 -6.040 -7.581 -0.608 1.00 65.51 H new ATOM 0 HB3 SER A 20 -7.339 -8.485 -1.361 1.00 65.51 H new ATOM 0 HG SER A 20 -5.277 -9.405 0.364 1.00 74.43 H new ATOM 338 N LEU A 21 -5.487 -6.412 -3.177 1.00 4.41 N ATOM 339 CA LEU A 21 -5.771 -5.282 -4.076 1.00 44.51 C ATOM 340 C LEU A 21 -5.040 -5.449 -5.409 1.00 64.23 C ATOM 341 O LEU A 21 -5.517 -4.957 -6.427 1.00 41.53 O ATOM 342 CB LEU A 21 -5.369 -3.935 -3.406 1.00 70.41 C ATOM 343 CG LEU A 21 -6.249 -3.494 -2.192 1.00 52.22 C ATOM 344 CD1 LEU A 21 -5.594 -2.335 -1.414 1.00 2.12 C ATOM 345 CD2 LEU A 21 -7.666 -3.121 -2.649 1.00 1.41 C ATOM 0 H LEU A 21 -4.998 -6.135 -2.325 1.00 4.41 H new ATOM 0 HA LEU A 21 -6.843 -5.268 -4.272 1.00 44.51 H new ATOM 0 HB2 LEU A 21 -4.334 -4.011 -3.073 1.00 70.41 H new ATOM 0 HB3 LEU A 21 -5.404 -3.150 -4.161 1.00 70.41 H new ATOM 0 HG LEU A 21 -6.326 -4.343 -1.513 1.00 52.22 H new ATOM 0 HD11 LEU A 21 -6.232 -2.053 -0.576 1.00 2.12 H new ATOM 0 HD12 LEU A 21 -4.621 -2.653 -1.038 1.00 2.12 H new ATOM 0 HD13 LEU A 21 -5.465 -1.479 -2.076 1.00 2.12 H new ATOM 0 HD21 LEU A 21 -8.259 -2.818 -1.786 1.00 1.41 H new ATOM 0 HD22 LEU A 21 -7.614 -2.297 -3.361 1.00 1.41 H new ATOM 0 HD23 LEU A 21 -8.133 -3.983 -3.125 1.00 1.41 H new ATOM 357 N LEU A 22 -3.878 -6.143 -5.391 1.00 3.42 N ATOM 358 CA LEU A 22 -3.131 -6.458 -6.615 1.00 54.25 C ATOM 359 C LEU A 22 -3.929 -7.429 -7.491 1.00 70.51 C ATOM 360 O LEU A 22 -4.116 -7.158 -8.679 1.00 23.20 O ATOM 361 CB LEU A 22 -1.728 -7.044 -6.309 1.00 74.22 C ATOM 362 CG LEU A 22 -0.914 -7.505 -7.566 1.00 3.22 C ATOM 363 CD1 LEU A 22 -0.809 -6.371 -8.607 1.00 34.44 C ATOM 364 CD2 LEU A 22 0.476 -8.044 -7.176 1.00 62.22 C ATOM 0 H LEU A 22 -3.443 -6.493 -4.537 1.00 3.42 H new ATOM 0 HA LEU A 22 -2.984 -5.522 -7.154 1.00 54.25 H new ATOM 0 HB2 LEU A 22 -1.146 -6.294 -5.773 1.00 74.22 H new ATOM 0 HB3 LEU A 22 -1.845 -7.895 -5.638 1.00 74.22 H new ATOM 0 HG LEU A 22 -1.460 -8.328 -8.027 1.00 3.22 H new ATOM 0 HD11 LEU A 22 -0.239 -6.719 -9.468 1.00 34.44 H new ATOM 0 HD12 LEU A 22 -1.809 -6.078 -8.928 1.00 34.44 H new ATOM 0 HD13 LEU A 22 -0.305 -5.513 -8.161 1.00 34.44 H new ATOM 0 HD21 LEU A 22 1.011 -8.354 -8.074 1.00 62.22 H new ATOM 0 HD22 LEU A 22 1.041 -7.261 -6.669 1.00 62.22 H new ATOM 0 HD23 LEU A 22 0.361 -8.898 -6.509 1.00 62.22 H new ATOM 376 N GLU A 23 -4.414 -8.538 -6.879 1.00 41.33 N ATOM 377 CA GLU A 23 -5.274 -9.530 -7.574 1.00 24.14 C ATOM 378 C GLU A 23 -6.467 -8.820 -8.239 1.00 24.14 C ATOM 379 O GLU A 23 -6.761 -9.014 -9.424 1.00 61.41 O ATOM 380 CB GLU A 23 -5.800 -10.597 -6.574 1.00 71.41 C ATOM 381 CG GLU A 23 -4.721 -11.479 -5.919 1.00 53.24 C ATOM 382 CD GLU A 23 -3.920 -12.307 -6.934 1.00 3.12 C ATOM 383 OE1 GLU A 23 -4.464 -13.304 -7.464 1.00 34.32 O ATOM 384 OE2 GLU A 23 -2.754 -11.964 -7.223 1.00 14.13 O ATOM 0 H GLU A 23 -4.224 -8.769 -5.904 1.00 41.33 H new ATOM 0 HA GLU A 23 -4.674 -10.027 -8.337 1.00 24.14 H new ATOM 0 HB2 GLU A 23 -6.357 -10.089 -5.787 1.00 71.41 H new ATOM 0 HB3 GLU A 23 -6.505 -11.243 -7.097 1.00 71.41 H new ATOM 0 HG2 GLU A 23 -4.036 -10.846 -5.355 1.00 53.24 H new ATOM 0 HG3 GLU A 23 -5.195 -12.152 -5.204 1.00 53.24 H new ATOM 391 N LEU A 24 -7.073 -7.928 -7.450 1.00 2.32 N ATOM 392 CA LEU A 24 -8.252 -7.164 -7.841 1.00 51.45 C ATOM 393 C LEU A 24 -7.931 -6.118 -8.931 1.00 4.30 C ATOM 394 O LEU A 24 -8.745 -5.889 -9.806 1.00 64.51 O ATOM 395 CB LEU A 24 -8.850 -6.497 -6.587 1.00 12.01 C ATOM 396 CG LEU A 24 -9.271 -7.469 -5.448 1.00 63.43 C ATOM 397 CD1 LEU A 24 -9.732 -6.695 -4.205 1.00 74.22 C ATOM 398 CD2 LEU A 24 -10.331 -8.480 -5.924 1.00 15.21 C ATOM 0 H LEU A 24 -6.749 -7.716 -6.506 1.00 2.32 H new ATOM 0 HA LEU A 24 -8.982 -7.845 -8.278 1.00 51.45 H new ATOM 0 HB2 LEU A 24 -8.120 -5.792 -6.188 1.00 12.01 H new ATOM 0 HB3 LEU A 24 -9.723 -5.917 -6.887 1.00 12.01 H new ATOM 0 HG LEU A 24 -8.392 -8.048 -5.164 1.00 63.43 H new ATOM 0 HD11 LEU A 24 -10.021 -7.399 -3.424 1.00 74.22 H new ATOM 0 HD12 LEU A 24 -8.917 -6.067 -3.844 1.00 74.22 H new ATOM 0 HD13 LEU A 24 -10.586 -6.069 -4.462 1.00 74.22 H new ATOM 0 HD21 LEU A 24 -10.599 -9.141 -5.100 1.00 15.21 H new ATOM 0 HD22 LEU A 24 -11.218 -7.945 -6.263 1.00 15.21 H new ATOM 0 HD23 LEU A 24 -9.927 -9.070 -6.746 1.00 15.21 H new ATOM 410 N ALA A 25 -6.729 -5.516 -8.886 1.00 45.22 N ATOM 411 CA ALA A 25 -6.293 -4.510 -9.888 1.00 4.35 C ATOM 412 C ALA A 25 -6.084 -5.170 -11.253 1.00 31.43 C ATOM 413 O ALA A 25 -6.435 -4.600 -12.290 1.00 72.23 O ATOM 414 CB ALA A 25 -5.008 -3.810 -9.431 1.00 41.33 C ATOM 0 H ALA A 25 -6.034 -5.706 -8.164 1.00 45.22 H new ATOM 0 HA ALA A 25 -7.078 -3.759 -9.981 1.00 4.35 H new ATOM 0 HB1 ALA A 25 -4.707 -3.077 -10.180 1.00 41.33 H new ATOM 0 HB2 ALA A 25 -5.186 -3.306 -8.481 1.00 41.33 H new ATOM 0 HB3 ALA A 25 -4.216 -4.548 -9.307 1.00 41.33 H new ATOM 420 N GLN A 26 -5.528 -6.393 -11.220 1.00 64.33 N ATOM 421 CA GLN A 26 -5.327 -7.229 -12.413 1.00 14.42 C ATOM 422 C GLN A 26 -6.690 -7.643 -13.010 1.00 31.52 C ATOM 423 O GLN A 26 -6.861 -7.661 -14.231 1.00 35.13 O ATOM 424 CB GLN A 26 -4.487 -8.479 -12.037 1.00 15.43 C ATOM 425 CG GLN A 26 -3.065 -8.166 -11.503 1.00 34.52 C ATOM 426 CD GLN A 26 -2.102 -7.608 -12.556 1.00 60.35 C ATOM 427 OE1 GLN A 26 -2.196 -7.931 -13.740 1.00 2.24 O ATOM 428 NE2 GLN A 26 -1.144 -6.789 -12.133 1.00 74.31 N ATOM 0 H GLN A 26 -5.204 -6.831 -10.358 1.00 64.33 H new ATOM 0 HA GLN A 26 -4.786 -6.658 -13.168 1.00 14.42 H new ATOM 0 HB2 GLN A 26 -5.027 -9.049 -11.281 1.00 15.43 H new ATOM 0 HB3 GLN A 26 -4.398 -9.118 -12.915 1.00 15.43 H new ATOM 0 HG2 GLN A 26 -3.147 -7.449 -10.686 1.00 34.52 H new ATOM 0 HG3 GLN A 26 -2.638 -9.078 -11.085 1.00 34.52 H new ATOM 0 HE21 GLN A 26 -1.088 -6.537 -11.146 1.00 74.31 H new ATOM 0 HE22 GLN A 26 -0.465 -6.413 -12.795 1.00 74.31 H new ATOM 437 N ARG A 27 -7.661 -7.946 -12.117 1.00 60.42 N ATOM 438 CA ARG A 27 -9.048 -8.307 -12.505 1.00 13.22 C ATOM 439 C ARG A 27 -9.876 -7.075 -12.933 1.00 35.04 C ATOM 440 O ARG A 27 -10.884 -7.215 -13.633 1.00 13.22 O ATOM 441 CB ARG A 27 -9.754 -9.046 -11.336 1.00 74.35 C ATOM 442 CG ARG A 27 -9.189 -10.453 -11.033 1.00 22.50 C ATOM 443 CD ARG A 27 -9.355 -11.420 -12.215 1.00 60.32 C ATOM 444 NE ARG A 27 -8.815 -12.757 -11.924 1.00 32.51 N ATOM 445 CZ ARG A 27 -8.390 -13.633 -12.849 1.00 13.01 C ATOM 446 NH1 ARG A 27 -8.423 -13.331 -14.151 1.00 61.34 N ATOM 447 NH2 ARG A 27 -7.941 -14.818 -12.472 1.00 71.22 N ATOM 0 H ARG A 27 -7.507 -7.948 -11.109 1.00 60.42 H new ATOM 0 HA ARG A 27 -8.982 -8.969 -13.369 1.00 13.22 H new ATOM 0 HB2 ARG A 27 -9.675 -8.435 -10.437 1.00 74.35 H new ATOM 0 HB3 ARG A 27 -10.815 -9.137 -11.568 1.00 74.35 H new ATOM 0 HG2 ARG A 27 -8.132 -10.370 -10.781 1.00 22.50 H new ATOM 0 HG3 ARG A 27 -9.694 -10.863 -10.158 1.00 22.50 H new ATOM 0 HD2 ARG A 27 -10.412 -11.505 -12.466 1.00 60.32 H new ATOM 0 HD3 ARG A 27 -8.851 -11.010 -13.090 1.00 60.32 H new ATOM 0 HE ARG A 27 -8.759 -13.040 -10.946 1.00 32.51 H new ATOM 0 HH11 ARG A 27 -8.775 -12.423 -14.455 1.00 61.34 H new ATOM 0 HH12 ARG A 27 -8.096 -14.008 -14.840 1.00 61.34 H new ATOM 0 HH21 ARG A 27 -7.918 -15.064 -11.482 1.00 71.22 H new ATOM 0 HH22 ARG A 27 -7.617 -15.487 -13.171 1.00 71.22 H new ATOM 461 N GLY A 28 -9.443 -5.880 -12.511 1.00 63.04 N ATOM 462 CA GLY A 28 -10.152 -4.633 -12.811 1.00 51.54 C ATOM 463 C GLY A 28 -11.295 -4.344 -11.851 1.00 23.14 C ATOM 464 O GLY A 28 -12.239 -3.631 -12.203 1.00 1.14 O ATOM 0 H GLY A 28 -8.597 -5.752 -11.956 1.00 63.04 H new ATOM 0 HA2 GLY A 28 -9.444 -3.805 -12.782 1.00 51.54 H new ATOM 0 HA3 GLY A 28 -10.544 -4.682 -13.827 1.00 51.54 H new ATOM 468 N GLU A 29 -11.210 -4.923 -10.648 1.00 0.33 N ATOM 469 CA GLU A 29 -12.151 -4.691 -9.545 1.00 51.20 C ATOM 470 C GLU A 29 -11.874 -3.324 -8.877 1.00 5.13 C ATOM 471 O GLU A 29 -11.304 -3.254 -7.779 1.00 1.41 O ATOM 472 CB GLU A 29 -12.037 -5.836 -8.503 1.00 32.12 C ATOM 473 CG GLU A 29 -12.166 -7.263 -9.071 1.00 5.34 C ATOM 474 CD GLU A 29 -13.534 -7.552 -9.692 1.00 53.52 C ATOM 475 OE1 GLU A 29 -13.643 -7.610 -10.935 1.00 64.01 O ATOM 476 OE2 GLU A 29 -14.514 -7.707 -8.933 1.00 15.12 O ATOM 0 H GLU A 29 -10.468 -5.581 -10.408 1.00 0.33 H new ATOM 0 HA GLU A 29 -13.165 -4.678 -9.945 1.00 51.20 H new ATOM 0 HB2 GLU A 29 -11.075 -5.750 -7.998 1.00 32.12 H new ATOM 0 HB3 GLU A 29 -12.808 -5.693 -7.746 1.00 32.12 H new ATOM 0 HG2 GLU A 29 -11.394 -7.416 -9.825 1.00 5.34 H new ATOM 0 HG3 GLU A 29 -11.979 -7.981 -8.273 1.00 5.34 H new ATOM 483 N TRP A 30 -12.285 -2.242 -9.557 1.00 31.44 N ATOM 484 CA TRP A 30 -11.971 -0.860 -9.139 1.00 33.40 C ATOM 485 C TRP A 30 -12.763 -0.454 -7.896 1.00 55.11 C ATOM 486 O TRP A 30 -12.250 0.269 -7.050 1.00 11.14 O ATOM 487 CB TRP A 30 -12.234 0.138 -10.294 1.00 14.31 C ATOM 488 CG TRP A 30 -11.584 -0.257 -11.607 1.00 62.14 C ATOM 489 CD1 TRP A 30 -12.192 -0.347 -12.827 1.00 34.44 C ATOM 490 CD2 TRP A 30 -10.212 -0.656 -11.823 1.00 73.21 C ATOM 491 NE1 TRP A 30 -11.292 -0.746 -13.777 1.00 45.01 N ATOM 492 CE2 TRP A 30 -10.078 -0.943 -13.189 1.00 33.23 C ATOM 493 CE3 TRP A 30 -9.086 -0.796 -10.993 1.00 31.33 C ATOM 494 CZ2 TRP A 30 -8.879 -1.359 -13.746 1.00 42.43 C ATOM 495 CZ3 TRP A 30 -7.896 -1.206 -11.554 1.00 64.14 C ATOM 496 CH2 TRP A 30 -7.802 -1.480 -12.917 1.00 53.30 C ATOM 0 H TRP A 30 -12.843 -2.296 -10.409 1.00 31.44 H new ATOM 0 HA TRP A 30 -10.911 -0.830 -8.885 1.00 33.40 H new ATOM 0 HB2 TRP A 30 -13.310 0.229 -10.445 1.00 14.31 H new ATOM 0 HB3 TRP A 30 -11.869 1.122 -10.001 1.00 14.31 H new ATOM 0 HD1 TRP A 30 -13.234 -0.134 -13.015 1.00 34.44 H new ATOM 0 HE1 TRP A 30 -11.497 -0.875 -14.768 1.00 45.01 H new ATOM 0 HE3 TRP A 30 -9.152 -0.586 -9.936 1.00 31.33 H new ATOM 0 HZ2 TRP A 30 -8.800 -1.580 -14.800 1.00 42.43 H new ATOM 0 HZ3 TRP A 30 -7.023 -1.317 -10.928 1.00 64.14 H new ATOM 0 HH2 TRP A 30 -6.854 -1.796 -13.327 1.00 53.30 H new ATOM 507 N ASP A 31 -14.007 -0.945 -7.802 1.00 42.12 N ATOM 508 CA ASP A 31 -14.916 -0.653 -6.678 1.00 40.33 C ATOM 509 C ASP A 31 -14.349 -1.212 -5.362 1.00 12.45 C ATOM 510 O ASP A 31 -14.486 -0.591 -4.312 1.00 33.11 O ATOM 511 CB ASP A 31 -16.318 -1.256 -6.942 1.00 31.02 C ATOM 512 CG ASP A 31 -16.934 -0.777 -8.267 1.00 25.24 C ATOM 513 OD1 ASP A 31 -17.594 0.282 -8.282 1.00 22.33 O ATOM 514 OD2 ASP A 31 -16.743 -1.451 -9.306 1.00 50.35 O ATOM 0 H ASP A 31 -14.416 -1.560 -8.506 1.00 42.12 H new ATOM 0 HA ASP A 31 -15.007 0.430 -6.590 1.00 40.33 H new ATOM 0 HB2 ASP A 31 -16.244 -2.343 -6.953 1.00 31.02 H new ATOM 0 HB3 ASP A 31 -16.983 -0.990 -6.120 1.00 31.02 H new ATOM 519 N LEU A 32 -13.701 -2.395 -5.454 1.00 0.03 N ATOM 520 CA LEU A 32 -13.062 -3.056 -4.305 1.00 23.04 C ATOM 521 C LEU A 32 -11.781 -2.309 -3.891 1.00 45.00 C ATOM 522 O LEU A 32 -11.486 -2.209 -2.702 1.00 71.21 O ATOM 523 CB LEU A 32 -12.756 -4.541 -4.622 1.00 1.23 C ATOM 524 CG LEU A 32 -13.990 -5.451 -4.921 1.00 72.40 C ATOM 525 CD1 LEU A 32 -13.565 -6.919 -5.097 1.00 5.32 C ATOM 526 CD2 LEU A 32 -15.082 -5.316 -3.840 1.00 43.53 C ATOM 0 H LEU A 32 -13.609 -2.914 -6.327 1.00 0.03 H new ATOM 0 HA LEU A 32 -13.758 -3.028 -3.467 1.00 23.04 H new ATOM 0 HB2 LEU A 32 -12.087 -4.577 -5.482 1.00 1.23 H new ATOM 0 HB3 LEU A 32 -12.213 -4.967 -3.778 1.00 1.23 H new ATOM 0 HG LEU A 32 -14.423 -5.108 -5.861 1.00 72.40 H new ATOM 0 HD11 LEU A 32 -14.444 -7.530 -5.304 1.00 5.32 H new ATOM 0 HD12 LEU A 32 -12.864 -6.998 -5.928 1.00 5.32 H new ATOM 0 HD13 LEU A 32 -13.086 -7.271 -4.184 1.00 5.32 H new ATOM 0 HD21 LEU A 32 -15.921 -5.966 -4.088 1.00 43.53 H new ATOM 0 HD22 LEU A 32 -14.673 -5.604 -2.872 1.00 43.53 H new ATOM 0 HD23 LEU A 32 -15.424 -4.282 -3.796 1.00 43.53 H new ATOM 538 N LEU A 33 -11.025 -1.796 -4.884 1.00 74.22 N ATOM 539 CA LEU A 33 -9.857 -0.913 -4.631 1.00 72.54 C ATOM 540 C LEU A 33 -10.291 0.374 -3.902 1.00 25.51 C ATOM 541 O LEU A 33 -9.652 0.774 -2.940 1.00 24.32 O ATOM 542 CB LEU A 33 -9.073 -0.579 -5.947 1.00 22.03 C ATOM 543 CG LEU A 33 -7.898 -1.548 -6.305 1.00 63.35 C ATOM 544 CD1 LEU A 33 -8.368 -2.999 -6.467 1.00 61.32 C ATOM 545 CD2 LEU A 33 -7.143 -1.068 -7.555 1.00 23.31 C ATOM 0 H LEU A 33 -11.200 -1.976 -5.873 1.00 74.22 H new ATOM 0 HA LEU A 33 -9.172 -1.460 -3.983 1.00 72.54 H new ATOM 0 HB2 LEU A 33 -9.780 -0.573 -6.777 1.00 22.03 H new ATOM 0 HB3 LEU A 33 -8.673 0.431 -5.862 1.00 22.03 H new ATOM 0 HG LEU A 33 -7.207 -1.530 -5.463 1.00 63.35 H new ATOM 0 HD11 LEU A 33 -7.516 -3.632 -6.715 1.00 61.32 H new ATOM 0 HD12 LEU A 33 -8.816 -3.343 -5.535 1.00 61.32 H new ATOM 0 HD13 LEU A 33 -9.107 -3.055 -7.267 1.00 61.32 H new ATOM 0 HD21 LEU A 33 -6.332 -1.761 -7.779 1.00 23.31 H new ATOM 0 HD22 LEU A 33 -7.829 -1.026 -8.401 1.00 23.31 H new ATOM 0 HD23 LEU A 33 -6.731 -0.075 -7.373 1.00 23.31 H new ATOM 557 N LEU A 34 -11.409 0.960 -4.352 1.00 10.11 N ATOM 558 CA LEU A 34 -11.970 2.210 -3.796 1.00 35.12 C ATOM 559 C LEU A 34 -12.638 1.980 -2.418 1.00 12.30 C ATOM 560 O LEU A 34 -12.703 2.898 -1.593 1.00 4.42 O ATOM 561 CB LEU A 34 -12.989 2.796 -4.810 1.00 12.03 C ATOM 562 CG LEU A 34 -12.398 3.330 -6.155 1.00 64.11 C ATOM 563 CD1 LEU A 34 -13.518 3.685 -7.156 1.00 23.25 C ATOM 564 CD2 LEU A 34 -11.461 4.536 -5.917 1.00 23.23 C ATOM 0 H LEU A 34 -11.960 0.579 -5.121 1.00 10.11 H new ATOM 0 HA LEU A 34 -11.157 2.918 -3.636 1.00 35.12 H new ATOM 0 HB2 LEU A 34 -13.724 2.025 -5.041 1.00 12.03 H new ATOM 0 HB3 LEU A 34 -13.525 3.611 -4.324 1.00 12.03 H new ATOM 0 HG LEU A 34 -11.802 2.529 -6.593 1.00 64.11 H new ATOM 0 HD11 LEU A 34 -13.075 4.053 -8.081 1.00 23.25 H new ATOM 0 HD12 LEU A 34 -14.113 2.796 -7.367 1.00 23.25 H new ATOM 0 HD13 LEU A 34 -14.158 4.456 -6.728 1.00 23.25 H new ATOM 0 HD21 LEU A 34 -11.066 4.884 -6.872 1.00 23.23 H new ATOM 0 HD22 LEU A 34 -12.019 5.342 -5.440 1.00 23.23 H new ATOM 0 HD23 LEU A 34 -10.636 4.234 -5.272 1.00 23.23 H new ATOM 576 N GLN A 35 -13.131 0.748 -2.187 1.00 34.15 N ATOM 577 CA GLN A 35 -13.758 0.342 -0.913 1.00 35.01 C ATOM 578 C GLN A 35 -12.681 0.132 0.170 1.00 45.02 C ATOM 579 O GLN A 35 -12.778 0.650 1.279 1.00 24.24 O ATOM 580 CB GLN A 35 -14.576 -0.969 -1.120 1.00 34.12 C ATOM 581 CG GLN A 35 -15.256 -1.545 0.145 1.00 52.31 C ATOM 582 CD GLN A 35 -16.237 -0.576 0.814 1.00 1.54 C ATOM 583 OE1 GLN A 35 -15.866 0.195 1.701 1.00 60.40 O ATOM 584 NE2 GLN A 35 -17.491 -0.598 0.385 1.00 65.11 N ATOM 0 H GLN A 35 -13.106 0.002 -2.882 1.00 34.15 H new ATOM 0 HA GLN A 35 -14.432 1.133 -0.583 1.00 35.01 H new ATOM 0 HB2 GLN A 35 -15.345 -0.781 -1.869 1.00 34.12 H new ATOM 0 HB3 GLN A 35 -13.911 -1.729 -1.530 1.00 34.12 H new ATOM 0 HG2 GLN A 35 -15.787 -2.458 -0.123 1.00 52.31 H new ATOM 0 HG3 GLN A 35 -14.487 -1.824 0.865 1.00 52.31 H new ATOM 0 HE21 GLN A 35 -17.767 -1.248 -0.351 1.00 65.11 H new ATOM 0 HE22 GLN A 35 -18.180 0.035 0.791 1.00 65.11 H new ATOM 593 N GLN A 36 -11.653 -0.632 -0.193 1.00 44.40 N ATOM 594 CA GLN A 36 -10.555 -1.023 0.711 1.00 10.34 C ATOM 595 C GLN A 36 -9.447 0.047 0.754 1.00 42.34 C ATOM 596 O GLN A 36 -8.518 -0.066 1.557 1.00 72.51 O ATOM 597 CB GLN A 36 -10.024 -2.414 0.283 1.00 42.34 C ATOM 598 CG GLN A 36 -11.072 -3.553 0.458 1.00 74.42 C ATOM 599 CD GLN A 36 -10.790 -4.810 -0.373 1.00 62.44 C ATOM 600 OE1 GLN A 36 -10.310 -4.640 -1.591 1.00 71.25 O flip ATOM 601 NE2 GLN A 36 -11.071 -5.928 0.044 1.00 42.41 N flip ATOM 0 H GLN A 36 -11.551 -1.006 -1.136 1.00 44.40 H new ATOM 0 HA GLN A 36 -10.931 -1.096 1.731 1.00 10.34 H new ATOM 0 HB2 GLN A 36 -9.714 -2.372 -0.761 1.00 42.34 H new ATOM 0 HB3 GLN A 36 -9.137 -2.653 0.869 1.00 42.34 H new ATOM 0 HG2 GLN A 36 -11.115 -3.831 1.511 1.00 74.42 H new ATOM 0 HG3 GLN A 36 -12.056 -3.169 0.189 1.00 74.42 H new ATOM 0 HE21 GLN A 36 -11.441 -6.042 0.988 1.00 42.41 H new ATOM 0 HE22 GLN A 36 -10.935 -6.744 -0.553 1.00 42.41 H new ATOM 610 N GLU A 37 -9.532 1.041 -0.164 1.00 64.11 N ATOM 611 CA GLU A 37 -8.665 2.242 -0.210 1.00 64.31 C ATOM 612 C GLU A 37 -8.464 2.875 1.178 1.00 52.25 C ATOM 613 O GLU A 37 -7.324 3.068 1.610 1.00 45.41 O ATOM 614 CB GLU A 37 -9.296 3.278 -1.173 1.00 20.34 C ATOM 615 CG GLU A 37 -8.557 4.617 -1.283 1.00 35.10 C ATOM 616 CD GLU A 37 -9.253 5.597 -2.231 1.00 71.35 C ATOM 617 OE1 GLU A 37 -8.870 5.670 -3.420 1.00 53.51 O ATOM 618 OE2 GLU A 37 -10.188 6.296 -1.778 1.00 13.02 O ATOM 0 H GLU A 37 -10.225 1.028 -0.913 1.00 64.11 H new ATOM 0 HA GLU A 37 -7.682 1.934 -0.565 1.00 64.31 H new ATOM 0 HB2 GLU A 37 -9.356 2.834 -2.167 1.00 20.34 H new ATOM 0 HB3 GLU A 37 -10.318 3.473 -0.849 1.00 20.34 H new ATOM 0 HG2 GLU A 37 -8.479 5.067 -0.293 1.00 35.10 H new ATOM 0 HG3 GLU A 37 -7.540 4.439 -1.633 1.00 35.10 H new ATOM 625 N VAL A 38 -9.592 3.152 1.865 1.00 32.41 N ATOM 626 CA VAL A 38 -9.603 3.728 3.220 1.00 62.05 C ATOM 627 C VAL A 38 -8.732 2.894 4.194 1.00 63.44 C ATOM 628 O VAL A 38 -7.868 3.443 4.874 1.00 34.51 O ATOM 629 CB VAL A 38 -11.081 3.868 3.768 1.00 22.31 C ATOM 630 CG1 VAL A 38 -11.842 2.525 3.749 1.00 12.10 C ATOM 631 CG2 VAL A 38 -11.104 4.486 5.182 1.00 34.41 C ATOM 0 H VAL A 38 -10.525 2.980 1.490 1.00 32.41 H new ATOM 0 HA VAL A 38 -9.170 4.726 3.155 1.00 62.05 H new ATOM 0 HB VAL A 38 -11.599 4.546 3.090 1.00 22.31 H new ATOM 0 HG11 VAL A 38 -12.851 2.673 4.134 1.00 12.10 H new ATOM 0 HG12 VAL A 38 -11.895 2.151 2.726 1.00 12.10 H new ATOM 0 HG13 VAL A 38 -11.318 1.801 4.373 1.00 12.10 H new ATOM 0 HG21 VAL A 38 -12.135 4.567 5.527 1.00 34.41 H new ATOM 0 HG22 VAL A 38 -10.542 3.850 5.866 1.00 34.41 H new ATOM 0 HG23 VAL A 38 -10.652 5.477 5.153 1.00 34.41 H new ATOM 641 N SER A 39 -8.915 1.563 4.157 1.00 3.51 N ATOM 642 CA SER A 39 -8.251 0.614 5.061 1.00 1.35 C ATOM 643 C SER A 39 -6.736 0.519 4.787 1.00 73.34 C ATOM 644 O SER A 39 -5.928 0.446 5.723 1.00 73.32 O ATOM 645 CB SER A 39 -8.910 -0.771 4.894 1.00 72.13 C ATOM 646 OG SER A 39 -10.318 -0.681 5.068 1.00 20.43 O ATOM 0 H SER A 39 -9.538 1.112 3.487 1.00 3.51 H new ATOM 0 HA SER A 39 -8.368 0.970 6.085 1.00 1.35 H new ATOM 0 HB2 SER A 39 -8.685 -1.169 3.905 1.00 72.13 H new ATOM 0 HB3 SER A 39 -8.492 -1.468 5.621 1.00 72.13 H new ATOM 0 HG SER A 39 -10.719 -1.568 4.957 1.00 20.43 H new ATOM 652 N TYR A 40 -6.375 0.553 3.492 1.00 52.33 N ATOM 653 CA TYR A 40 -4.993 0.368 3.031 1.00 11.13 C ATOM 654 C TYR A 40 -4.146 1.606 3.353 1.00 25.44 C ATOM 655 O TYR A 40 -3.070 1.481 3.941 1.00 22.44 O ATOM 656 CB TYR A 40 -4.979 0.067 1.514 1.00 41.43 C ATOM 657 CG TYR A 40 -3.587 -0.270 0.940 1.00 62.23 C ATOM 658 CD1 TYR A 40 -3.004 0.497 -0.067 1.00 43.34 C ATOM 659 CD2 TYR A 40 -2.872 -1.380 1.393 1.00 52.24 C ATOM 660 CE1 TYR A 40 -1.770 0.174 -0.595 1.00 52.11 C ATOM 661 CE2 TYR A 40 -1.636 -1.695 0.870 1.00 14.33 C ATOM 662 CZ TYR A 40 -1.090 -0.921 -0.127 1.00 44.50 C ATOM 663 OH TYR A 40 0.143 -1.242 -0.653 1.00 53.11 O ATOM 0 H TYR A 40 -7.039 0.711 2.734 1.00 52.33 H new ATOM 0 HA TYR A 40 -4.556 -0.481 3.557 1.00 11.13 H new ATOM 0 HB2 TYR A 40 -5.651 -0.768 1.316 1.00 41.43 H new ATOM 0 HB3 TYR A 40 -5.378 0.930 0.982 1.00 41.43 H new ATOM 0 HD1 TYR A 40 -3.529 1.363 -0.442 1.00 43.34 H new ATOM 0 HD2 TYR A 40 -3.295 -2.003 2.167 1.00 52.24 H new ATOM 0 HE1 TYR A 40 -1.340 0.783 -1.376 1.00 52.11 H new ATOM 0 HE2 TYR A 40 -1.095 -2.552 1.244 1.00 14.33 H new ATOM 0 HH TYR A 40 0.626 -0.420 -0.880 1.00 53.11 H new ATOM 673 N LEU A 41 -4.668 2.794 2.983 1.00 13.00 N ATOM 674 CA LEU A 41 -3.998 4.085 3.231 1.00 35.32 C ATOM 675 C LEU A 41 -3.893 4.363 4.741 1.00 20.30 C ATOM 676 O LEU A 41 -2.867 4.875 5.208 1.00 2.43 O ATOM 677 CB LEU A 41 -4.757 5.239 2.513 1.00 60.12 C ATOM 678 CG LEU A 41 -4.859 5.142 0.953 1.00 24.24 C ATOM 679 CD1 LEU A 41 -5.605 6.362 0.373 1.00 3.11 C ATOM 680 CD2 LEU A 41 -3.468 4.968 0.298 1.00 62.30 C ATOM 0 H LEU A 41 -5.564 2.884 2.505 1.00 13.00 H new ATOM 0 HA LEU A 41 -2.988 4.031 2.824 1.00 35.32 H new ATOM 0 HB2 LEU A 41 -5.767 5.288 2.919 1.00 60.12 H new ATOM 0 HB3 LEU A 41 -4.267 6.179 2.765 1.00 60.12 H new ATOM 0 HG LEU A 41 -5.438 4.250 0.716 1.00 24.24 H new ATOM 0 HD11 LEU A 41 -5.663 6.271 -0.712 1.00 3.11 H new ATOM 0 HD12 LEU A 41 -6.612 6.404 0.788 1.00 3.11 H new ATOM 0 HD13 LEU A 41 -5.068 7.274 0.633 1.00 3.11 H new ATOM 0 HD21 LEU A 41 -3.581 4.905 -0.784 1.00 62.30 H new ATOM 0 HD22 LEU A 41 -2.839 5.822 0.548 1.00 62.30 H new ATOM 0 HD23 LEU A 41 -3.003 4.054 0.668 1.00 62.30 H new ATOM 692 N GLN A 42 -4.956 3.986 5.495 1.00 43.21 N ATOM 693 CA GLN A 42 -4.987 4.101 6.968 1.00 3.42 C ATOM 694 C GLN A 42 -3.886 3.238 7.613 1.00 54.22 C ATOM 695 O GLN A 42 -3.158 3.707 8.494 1.00 41.11 O ATOM 696 CB GLN A 42 -6.377 3.699 7.521 1.00 74.11 C ATOM 697 CG GLN A 42 -6.526 3.792 9.057 1.00 64.13 C ATOM 698 CD GLN A 42 -7.939 3.507 9.581 1.00 62.14 C ATOM 699 OE1 GLN A 42 -8.972 3.881 8.828 1.00 60.44 O flip ATOM 700 NE2 GLN A 42 -8.108 2.995 10.689 1.00 43.13 N flip ATOM 0 H GLN A 42 -5.810 3.596 5.097 1.00 43.21 H new ATOM 0 HA GLN A 42 -4.799 5.144 7.225 1.00 3.42 H new ATOM 0 HB2 GLN A 42 -7.132 4.336 7.060 1.00 74.11 H new ATOM 0 HB3 GLN A 42 -6.591 2.676 7.212 1.00 74.11 H new ATOM 0 HG2 GLN A 42 -5.833 3.089 9.519 1.00 64.13 H new ATOM 0 HG3 GLN A 42 -6.228 4.790 9.378 1.00 64.13 H new ATOM 0 HE21 GLN A 42 -7.303 2.716 11.250 1.00 43.13 H new ATOM 0 HE22 GLN A 42 -9.053 2.851 11.045 1.00 43.13 H new ATOM 709 N SER A 43 -3.756 1.983 7.138 1.00 43.41 N ATOM 710 CA SER A 43 -2.769 1.023 7.663 1.00 54.35 C ATOM 711 C SER A 43 -1.323 1.498 7.356 1.00 43.43 C ATOM 712 O SER A 43 -0.414 1.349 8.192 1.00 74.00 O ATOM 713 CB SER A 43 -3.047 -0.383 7.089 1.00 34.21 C ATOM 714 OG SER A 43 -2.326 -1.387 7.790 1.00 54.12 O ATOM 0 H SER A 43 -4.331 1.609 6.383 1.00 43.41 H new ATOM 0 HA SER A 43 -2.864 0.968 8.747 1.00 54.35 H new ATOM 0 HB2 SER A 43 -4.115 -0.595 7.145 1.00 34.21 H new ATOM 0 HB3 SER A 43 -2.773 -0.407 6.034 1.00 34.21 H new ATOM 0 HG SER A 43 -2.793 -1.603 8.624 1.00 54.12 H new ATOM 720 N ILE A 44 -1.147 2.098 6.162 1.00 12.34 N ATOM 721 CA ILE A 44 0.121 2.705 5.705 1.00 41.30 C ATOM 722 C ILE A 44 0.573 3.834 6.658 1.00 13.11 C ATOM 723 O ILE A 44 1.674 3.778 7.249 1.00 54.30 O ATOM 724 CB ILE A 44 -0.036 3.224 4.208 1.00 20.23 C ATOM 725 CG1 ILE A 44 0.070 2.021 3.210 1.00 30.01 C ATOM 726 CG2 ILE A 44 0.951 4.365 3.847 1.00 33.03 C ATOM 727 CD1 ILE A 44 -0.062 2.375 1.735 1.00 43.31 C ATOM 0 H ILE A 44 -1.896 2.176 5.474 1.00 12.34 H new ATOM 0 HA ILE A 44 0.902 1.945 5.722 1.00 41.30 H new ATOM 0 HB ILE A 44 -1.028 3.667 4.121 1.00 20.23 H new ATOM 0 HG12 ILE A 44 1.031 1.530 3.362 1.00 30.01 H new ATOM 0 HG13 ILE A 44 -0.703 1.295 3.461 1.00 30.01 H new ATOM 0 HG21 ILE A 44 0.790 4.672 2.813 1.00 33.03 H new ATOM 0 HG22 ILE A 44 0.782 5.215 4.508 1.00 33.03 H new ATOM 0 HG23 ILE A 44 1.975 4.011 3.966 1.00 33.03 H new ATOM 0 HD11 ILE A 44 0.026 1.470 1.134 1.00 43.31 H new ATOM 0 HD12 ILE A 44 -1.034 2.835 1.557 1.00 43.31 H new ATOM 0 HD13 ILE A 44 0.727 3.074 1.456 1.00 43.31 H new ATOM 739 N GLU A 45 -0.310 4.830 6.843 1.00 1.44 N ATOM 740 CA GLU A 45 0.016 6.033 7.619 1.00 62.45 C ATOM 741 C GLU A 45 0.175 5.699 9.115 1.00 62.03 C ATOM 742 O GLU A 45 0.982 6.331 9.798 1.00 51.51 O ATOM 743 CB GLU A 45 -1.039 7.147 7.380 1.00 1.03 C ATOM 744 CG GLU A 45 -2.477 6.800 7.811 1.00 22.01 C ATOM 745 CD GLU A 45 -3.510 7.829 7.337 1.00 71.22 C ATOM 746 OE1 GLU A 45 -3.924 8.694 8.139 1.00 12.41 O ATOM 747 OE2 GLU A 45 -3.890 7.801 6.149 1.00 72.50 O ATOM 0 H GLU A 45 -1.257 4.823 6.464 1.00 1.44 H new ATOM 0 HA GLU A 45 0.976 6.416 7.272 1.00 62.45 H new ATOM 0 HB2 GLU A 45 -0.724 8.043 7.915 1.00 1.03 H new ATOM 0 HB3 GLU A 45 -1.046 7.395 6.319 1.00 1.03 H new ATOM 0 HG2 GLU A 45 -2.742 5.819 7.416 1.00 22.01 H new ATOM 0 HG3 GLU A 45 -2.517 6.727 8.898 1.00 22.01 H new ATOM 754 N THR A 46 -0.553 4.664 9.607 1.00 12.21 N ATOM 755 CA THR A 46 -0.480 4.262 11.027 1.00 43.40 C ATOM 756 C THR A 46 0.778 3.414 11.323 1.00 71.55 C ATOM 757 O THR A 46 1.282 3.450 12.448 1.00 10.34 O ATOM 758 CB THR A 46 -1.765 3.519 11.534 1.00 50.10 C ATOM 759 OG1 THR A 46 -1.767 3.465 12.973 1.00 34.24 O ATOM 760 CG2 THR A 46 -1.885 2.084 11.000 1.00 13.35 C ATOM 0 H THR A 46 -1.190 4.100 9.044 1.00 12.21 H new ATOM 0 HA THR A 46 -0.412 5.197 11.583 1.00 43.40 H new ATOM 0 HB THR A 46 -2.613 4.090 11.157 1.00 50.10 H new ATOM 0 HG1 THR A 46 -1.180 4.165 13.327 1.00 34.24 H new ATOM 0 HG21 THR A 46 -2.795 1.626 11.388 1.00 13.35 H new ATOM 0 HG22 THR A 46 -1.925 2.103 9.911 1.00 13.35 H new ATOM 0 HG23 THR A 46 -1.021 1.503 11.321 1.00 13.35 H new ATOM 768 N VAL A 47 1.290 2.631 10.339 1.00 62.45 N ATOM 769 CA VAL A 47 2.540 1.862 10.557 1.00 34.13 C ATOM 770 C VAL A 47 3.757 2.804 10.490 1.00 0.34 C ATOM 771 O VAL A 47 4.734 2.620 11.222 1.00 52.40 O ATOM 772 CB VAL A 47 2.738 0.663 9.549 1.00 62.54 C ATOM 773 CG1 VAL A 47 3.298 1.119 8.179 1.00 51.04 C ATOM 774 CG2 VAL A 47 3.634 -0.428 10.169 1.00 43.34 C ATOM 0 H VAL A 47 0.872 2.517 9.416 1.00 62.45 H new ATOM 0 HA VAL A 47 2.453 1.419 11.549 1.00 34.13 H new ATOM 0 HB VAL A 47 1.749 0.244 9.360 1.00 62.54 H new ATOM 0 HG11 VAL A 47 3.414 0.253 7.527 1.00 51.04 H new ATOM 0 HG12 VAL A 47 2.608 1.828 7.722 1.00 51.04 H new ATOM 0 HG13 VAL A 47 4.267 1.597 8.323 1.00 51.04 H new ATOM 0 HG21 VAL A 47 3.758 -1.245 9.458 1.00 43.34 H new ATOM 0 HG22 VAL A 47 4.610 -0.005 10.409 1.00 43.34 H new ATOM 0 HG23 VAL A 47 3.169 -0.807 11.079 1.00 43.34 H new ATOM 784 N MET A 48 3.677 3.817 9.599 1.00 3.23 N ATOM 785 CA MET A 48 4.735 4.832 9.458 1.00 23.53 C ATOM 786 C MET A 48 4.690 5.798 10.666 1.00 54.32 C ATOM 787 O MET A 48 5.703 6.389 11.045 1.00 43.51 O ATOM 788 CB MET A 48 4.578 5.567 8.100 1.00 30.44 C ATOM 789 CG MET A 48 5.790 6.416 7.689 1.00 32.31 C ATOM 790 SD MET A 48 5.692 7.007 5.983 1.00 4.14 S ATOM 791 CE MET A 48 5.758 5.476 5.040 1.00 5.40 C ATOM 0 H MET A 48 2.887 3.950 8.967 1.00 3.23 H new ATOM 0 HA MET A 48 5.717 4.359 9.456 1.00 23.53 H new ATOM 0 HB2 MET A 48 4.388 4.828 7.322 1.00 30.44 H new ATOM 0 HB3 MET A 48 3.700 6.211 8.150 1.00 30.44 H new ATOM 0 HG2 MET A 48 5.872 7.271 8.360 1.00 32.31 H new ATOM 0 HG3 MET A 48 6.698 5.826 7.812 1.00 32.31 H new ATOM 0 HE1 MET A 48 6.078 5.690 4.020 1.00 5.40 H new ATOM 0 HE2 MET A 48 6.467 4.792 5.506 1.00 5.40 H new ATOM 0 HE3 MET A 48 4.769 5.017 5.021 1.00 5.40 H new ATOM 801 N GLU A 49 3.489 5.919 11.265 1.00 15.14 N ATOM 802 CA GLU A 49 3.275 6.570 12.573 1.00 55.15 C ATOM 803 C GLU A 49 3.938 5.755 13.700 1.00 4.12 C ATOM 804 O GLU A 49 4.505 6.323 14.642 1.00 54.33 O ATOM 805 CB GLU A 49 1.748 6.657 12.842 1.00 74.12 C ATOM 806 CG GLU A 49 1.314 7.077 14.270 1.00 31.43 C ATOM 807 CD GLU A 49 -0.076 6.536 14.651 1.00 64.23 C ATOM 808 OE1 GLU A 49 -1.067 7.296 14.617 1.00 71.21 O ATOM 809 OE2 GLU A 49 -0.179 5.328 14.973 1.00 10.20 O ATOM 0 H GLU A 49 2.629 5.563 10.849 1.00 15.14 H new ATOM 0 HA GLU A 49 3.719 7.565 12.552 1.00 55.15 H new ATOM 0 HB2 GLU A 49 1.318 7.365 12.134 1.00 74.12 H new ATOM 0 HB3 GLU A 49 1.309 5.683 12.626 1.00 74.12 H new ATOM 0 HG2 GLU A 49 2.049 6.717 14.990 1.00 31.43 H new ATOM 0 HG3 GLU A 49 1.307 8.165 14.338 1.00 31.43 H new ATOM 923 N THR A 57 15.034 -6.675 16.861 1.00 24.01 N ATOM 924 CA THR A 57 15.578 -8.042 16.960 1.00 3.43 C ATOM 925 C THR A 57 15.258 -8.886 15.696 1.00 15.24 C ATOM 926 O THR A 57 14.491 -8.447 14.828 1.00 34.11 O ATOM 927 CB THR A 57 15.033 -8.731 18.259 1.00 15.23 C ATOM 928 OG1 THR A 57 15.634 -10.023 18.447 1.00 1.40 O ATOM 929 CG2 THR A 57 13.501 -8.859 18.229 1.00 52.04 C ATOM 0 HA THR A 57 16.664 -7.976 17.022 1.00 3.43 H new ATOM 0 HB THR A 57 15.304 -8.094 19.101 1.00 15.23 H new ATOM 0 HG1 THR A 57 15.280 -10.433 19.264 1.00 1.40 H new ATOM 0 HG21 THR A 57 13.158 -9.341 19.145 1.00 52.04 H new ATOM 0 HG22 THR A 57 13.055 -7.868 18.152 1.00 52.04 H new ATOM 0 HG23 THR A 57 13.203 -9.459 17.370 1.00 52.04 H new ATOM 937 N ARG A 58 15.834 -10.110 15.651 1.00 73.22 N ATOM 938 CA ARG A 58 15.832 -11.010 14.477 1.00 62.35 C ATOM 939 C ARG A 58 14.414 -11.279 13.930 1.00 72.13 C ATOM 940 O ARG A 58 14.155 -11.046 12.748 1.00 61.44 O ATOM 941 CB ARG A 58 16.502 -12.362 14.856 1.00 31.34 C ATOM 942 CG ARG A 58 17.948 -12.255 15.380 1.00 50.41 C ATOM 943 CD ARG A 58 18.494 -13.609 15.870 1.00 41.10 C ATOM 944 NE ARG A 58 18.543 -14.627 14.802 1.00 43.03 N ATOM 945 CZ ARG A 58 18.398 -15.956 14.981 1.00 3.02 C ATOM 946 NH1 ARG A 58 18.177 -16.477 16.191 1.00 24.22 N ATOM 947 NH2 ARG A 58 18.503 -16.764 13.937 1.00 5.42 N ATOM 0 H ARG A 58 16.325 -10.508 16.451 1.00 73.22 H new ATOM 0 HA ARG A 58 16.394 -10.508 13.689 1.00 62.35 H new ATOM 0 HB2 ARG A 58 15.892 -12.850 15.616 1.00 31.34 H new ATOM 0 HB3 ARG A 58 16.497 -13.010 13.979 1.00 31.34 H new ATOM 0 HG2 ARG A 58 18.591 -11.871 14.588 1.00 50.41 H new ATOM 0 HG3 ARG A 58 17.984 -11.534 16.197 1.00 50.41 H new ATOM 0 HD2 ARG A 58 19.496 -13.466 16.276 1.00 41.10 H new ATOM 0 HD3 ARG A 58 17.869 -13.974 16.685 1.00 41.10 H new ATOM 0 HE ARG A 58 18.700 -14.298 13.849 1.00 43.03 H new ATOM 0 HH11 ARG A 58 18.114 -15.866 17.006 1.00 24.22 H new ATOM 0 HH12 ARG A 58 18.071 -17.486 16.300 1.00 24.22 H new ATOM 0 HH21 ARG A 58 18.691 -16.379 13.011 1.00 5.42 H new ATOM 0 HH22 ARG A 58 18.396 -17.771 14.059 1.00 5.42 H new ATOM 961 N SER A 59 13.514 -11.770 14.809 1.00 34.14 N ATOM 962 CA SER A 59 12.159 -12.212 14.419 1.00 35.43 C ATOM 963 C SER A 59 11.301 -11.044 13.913 1.00 42.04 C ATOM 964 O SER A 59 10.614 -11.177 12.890 1.00 1.11 O ATOM 965 CB SER A 59 11.466 -12.922 15.603 1.00 51.33 C ATOM 966 OG SER A 59 12.208 -14.059 16.023 1.00 12.20 O ATOM 0 H SER A 59 13.706 -11.871 15.806 1.00 34.14 H new ATOM 0 HA SER A 59 12.265 -12.918 13.595 1.00 35.43 H new ATOM 0 HB2 SER A 59 11.358 -12.227 16.435 1.00 51.33 H new ATOM 0 HB3 SER A 59 10.461 -13.227 15.310 1.00 51.33 H new ATOM 0 HG SER A 59 11.749 -14.490 16.774 1.00 12.20 H new ATOM 972 N ILE A 60 11.358 -9.897 14.637 1.00 5.42 N ATOM 973 CA ILE A 60 10.608 -8.685 14.261 1.00 14.51 C ATOM 974 C ILE A 60 11.067 -8.214 12.872 1.00 52.00 C ATOM 975 O ILE A 60 10.244 -8.041 11.981 1.00 44.15 O ATOM 976 CB ILE A 60 10.762 -7.499 15.295 1.00 25.54 C ATOM 977 CG1 ILE A 60 10.282 -7.922 16.718 1.00 61.02 C ATOM 978 CG2 ILE A 60 9.989 -6.238 14.812 1.00 44.43 C ATOM 979 CD1 ILE A 60 10.434 -6.841 17.785 1.00 33.25 C ATOM 0 H ILE A 60 11.917 -9.793 15.483 1.00 5.42 H new ATOM 0 HA ILE A 60 9.553 -8.958 14.255 1.00 14.51 H new ATOM 0 HB ILE A 60 11.822 -7.251 15.357 1.00 25.54 H new ATOM 0 HG12 ILE A 60 9.233 -8.214 16.662 1.00 61.02 H new ATOM 0 HG13 ILE A 60 10.842 -8.803 17.030 1.00 61.02 H new ATOM 0 HG21 ILE A 60 10.110 -5.436 15.540 1.00 44.43 H new ATOM 0 HG22 ILE A 60 10.384 -5.916 13.848 1.00 44.43 H new ATOM 0 HG23 ILE A 60 8.931 -6.477 14.709 1.00 44.43 H new ATOM 0 HD11 ILE A 60 10.076 -7.221 18.742 1.00 33.25 H new ATOM 0 HD12 ILE A 60 11.484 -6.563 17.875 1.00 33.25 H new ATOM 0 HD13 ILE A 60 9.850 -5.965 17.501 1.00 33.25 H new ATOM 991 N GLN A 61 12.402 -8.077 12.704 1.00 0.03 N ATOM 992 CA GLN A 61 13.022 -7.611 11.451 1.00 31.22 C ATOM 993 C GLN A 61 12.621 -8.516 10.276 1.00 12.33 C ATOM 994 O GLN A 61 12.247 -8.019 9.226 1.00 2.11 O ATOM 995 CB GLN A 61 14.576 -7.543 11.609 1.00 54.43 C ATOM 996 CG GLN A 61 15.342 -6.857 10.439 1.00 31.35 C ATOM 997 CD GLN A 61 15.586 -7.747 9.206 1.00 52.00 C ATOM 998 OE1 GLN A 61 15.775 -8.963 9.319 1.00 15.24 O ATOM 999 NE2 GLN A 61 15.552 -7.161 8.021 1.00 54.21 N ATOM 0 H GLN A 61 13.078 -8.288 13.438 1.00 0.03 H new ATOM 0 HA GLN A 61 12.658 -6.607 11.234 1.00 31.22 H new ATOM 0 HB2 GLN A 61 14.806 -7.011 12.532 1.00 54.43 H new ATOM 0 HB3 GLN A 61 14.956 -8.558 11.723 1.00 54.43 H new ATOM 0 HG2 GLN A 61 14.782 -5.976 10.126 1.00 31.35 H new ATOM 0 HG3 GLN A 61 16.305 -6.507 10.811 1.00 31.35 H new ATOM 0 HE21 GLN A 61 15.394 -6.156 7.954 1.00 54.21 H new ATOM 0 HE22 GLN A 61 15.683 -7.715 7.174 1.00 54.21 H new ATOM 1008 N ASP A 62 12.678 -9.841 10.503 1.00 64.41 N ATOM 1009 CA ASP A 62 12.408 -10.863 9.475 1.00 43.12 C ATOM 1010 C ASP A 62 10.960 -10.777 8.971 1.00 61.23 C ATOM 1011 O ASP A 62 10.727 -10.649 7.762 1.00 55.32 O ATOM 1012 CB ASP A 62 12.696 -12.275 10.048 1.00 22.41 C ATOM 1013 CG ASP A 62 12.457 -13.417 9.036 1.00 5.52 C ATOM 1014 OD1 ASP A 62 11.334 -13.966 8.982 1.00 30.15 O ATOM 1015 OD2 ASP A 62 13.393 -13.769 8.290 1.00 45.11 O ATOM 0 H ASP A 62 12.915 -10.236 11.413 1.00 64.41 H new ATOM 0 HA ASP A 62 13.067 -10.678 8.627 1.00 43.12 H new ATOM 0 HB2 ASP A 62 13.730 -12.315 10.389 1.00 22.41 H new ATOM 0 HB3 ASP A 62 12.065 -12.438 10.922 1.00 22.41 H new ATOM 1020 N MET A 63 9.998 -10.839 9.920 1.00 4.40 N ATOM 1021 CA MET A 63 8.552 -10.813 9.610 1.00 3.40 C ATOM 1022 C MET A 63 8.165 -9.494 8.926 1.00 24.45 C ATOM 1023 O MET A 63 7.535 -9.506 7.860 1.00 73.11 O ATOM 1024 CB MET A 63 7.706 -11.045 10.893 1.00 10.44 C ATOM 1025 CG MET A 63 7.826 -12.460 11.480 1.00 34.40 C ATOM 1026 SD MET A 63 6.795 -12.713 12.947 1.00 0.11 S ATOM 1027 CE MET A 63 7.643 -11.733 14.190 1.00 35.45 C ATOM 0 H MET A 63 10.202 -10.908 10.917 1.00 4.40 H new ATOM 0 HA MET A 63 8.339 -11.627 8.917 1.00 3.40 H new ATOM 0 HB2 MET A 63 8.010 -10.323 11.651 1.00 10.44 H new ATOM 0 HB3 MET A 63 6.659 -10.846 10.665 1.00 10.44 H new ATOM 0 HG2 MET A 63 7.547 -13.187 10.718 1.00 34.40 H new ATOM 0 HG3 MET A 63 8.867 -12.652 11.738 1.00 34.40 H new ATOM 0 HE1 MET A 63 6.948 -11.479 14.990 1.00 35.45 H new ATOM 0 HE2 MET A 63 8.475 -12.306 14.600 1.00 35.45 H new ATOM 0 HE3 MET A 63 8.022 -10.818 13.735 1.00 35.45 H new ATOM 1037 N VAL A 64 8.594 -8.371 9.531 1.00 4.53 N ATOM 1038 CA VAL A 64 8.352 -7.014 9.010 1.00 62.54 C ATOM 1039 C VAL A 64 8.933 -6.853 7.593 1.00 73.14 C ATOM 1040 O VAL A 64 8.247 -6.352 6.715 1.00 2.33 O ATOM 1041 CB VAL A 64 8.936 -5.925 9.996 1.00 31.42 C ATOM 1042 CG1 VAL A 64 9.040 -4.528 9.349 1.00 75.21 C ATOM 1043 CG2 VAL A 64 8.088 -5.864 11.289 1.00 33.33 C ATOM 0 H VAL A 64 9.123 -8.381 10.403 1.00 4.53 H new ATOM 0 HA VAL A 64 7.275 -6.863 8.942 1.00 62.54 H new ATOM 0 HB VAL A 64 9.952 -6.231 10.244 1.00 31.42 H new ATOM 0 HG11 VAL A 64 9.447 -3.821 10.072 1.00 75.21 H new ATOM 0 HG12 VAL A 64 9.697 -4.577 8.481 1.00 75.21 H new ATOM 0 HG13 VAL A 64 8.050 -4.197 9.036 1.00 75.21 H new ATOM 0 HG21 VAL A 64 8.501 -5.110 11.960 1.00 33.33 H new ATOM 0 HG22 VAL A 64 7.060 -5.603 11.038 1.00 33.33 H new ATOM 0 HG23 VAL A 64 8.105 -6.836 11.782 1.00 33.33 H new ATOM 1053 N ALA A 65 10.173 -7.340 7.380 1.00 4.05 N ATOM 1054 CA ALA A 65 10.864 -7.270 6.072 1.00 3.34 C ATOM 1055 C ALA A 65 10.151 -8.128 5.019 1.00 24.32 C ATOM 1056 O ALA A 65 10.179 -7.804 3.831 1.00 74.00 O ATOM 1057 CB ALA A 65 12.327 -7.710 6.199 1.00 73.45 C ATOM 0 H ALA A 65 10.725 -7.793 8.109 1.00 4.05 H new ATOM 0 HA ALA A 65 10.837 -6.230 5.747 1.00 3.34 H new ATOM 0 HB1 ALA A 65 12.811 -7.649 5.224 1.00 73.45 H new ATOM 0 HB2 ALA A 65 12.844 -7.057 6.902 1.00 73.45 H new ATOM 0 HB3 ALA A 65 12.368 -8.737 6.561 1.00 73.45 H new ATOM 1063 N GLY A 66 9.517 -9.228 5.477 1.00 22.42 N ATOM 1064 CA GLY A 66 8.678 -10.065 4.616 1.00 64.34 C ATOM 1065 C GLY A 66 7.461 -9.307 4.123 1.00 33.34 C ATOM 1066 O GLY A 66 7.178 -9.290 2.923 1.00 0.14 O ATOM 0 H GLY A 66 9.575 -9.552 6.443 1.00 22.42 H new ATOM 0 HA2 GLY A 66 9.262 -10.413 3.764 1.00 64.34 H new ATOM 0 HA3 GLY A 66 8.359 -10.950 5.166 1.00 64.34 H new ATOM 1070 N TYR A 67 6.784 -8.624 5.062 1.00 51.10 N ATOM 1071 CA TYR A 67 5.587 -7.810 4.776 1.00 63.32 C ATOM 1072 C TYR A 67 5.939 -6.574 3.934 1.00 24.24 C ATOM 1073 O TYR A 67 5.139 -6.141 3.106 1.00 63.42 O ATOM 1074 CB TYR A 67 4.915 -7.368 6.093 1.00 53.45 C ATOM 1075 CG TYR A 67 4.480 -8.521 7.010 1.00 32.51 C ATOM 1076 CD1 TYR A 67 4.675 -8.460 8.393 1.00 54.42 C ATOM 1077 CD2 TYR A 67 3.880 -9.675 6.491 1.00 42.30 C ATOM 1078 CE1 TYR A 67 4.285 -9.492 9.216 1.00 44.14 C ATOM 1079 CE2 TYR A 67 3.491 -10.711 7.318 1.00 21.01 C ATOM 1080 CZ TYR A 67 3.698 -10.616 8.679 1.00 5.23 C ATOM 1081 OH TYR A 67 3.298 -11.644 9.509 1.00 61.12 O ATOM 0 H TYR A 67 7.052 -8.620 6.046 1.00 51.10 H new ATOM 0 HA TYR A 67 4.894 -8.428 4.204 1.00 63.32 H new ATOM 0 HB2 TYR A 67 5.606 -6.727 6.641 1.00 53.45 H new ATOM 0 HB3 TYR A 67 4.041 -6.763 5.854 1.00 53.45 H new ATOM 0 HD1 TYR A 67 5.141 -7.586 8.824 1.00 54.42 H new ATOM 0 HD2 TYR A 67 3.719 -9.756 5.426 1.00 42.30 H new ATOM 0 HE1 TYR A 67 4.439 -9.420 10.283 1.00 44.14 H new ATOM 0 HE2 TYR A 67 3.026 -11.592 6.901 1.00 21.01 H new ATOM 0 HH TYR A 67 2.440 -11.415 9.924 1.00 61.12 H new ATOM 1091 N ILE A 68 7.149 -6.040 4.172 1.00 42.23 N ATOM 1092 CA ILE A 68 7.716 -4.895 3.445 1.00 60.20 C ATOM 1093 C ILE A 68 7.955 -5.281 1.981 1.00 30.13 C ATOM 1094 O ILE A 68 7.547 -4.564 1.081 1.00 4.44 O ATOM 1095 CB ILE A 68 9.060 -4.399 4.135 1.00 63.40 C ATOM 1096 CG1 ILE A 68 8.727 -3.547 5.404 1.00 61.33 C ATOM 1097 CG2 ILE A 68 9.995 -3.638 3.159 1.00 3.02 C ATOM 1098 CD1 ILE A 68 9.931 -3.005 6.156 1.00 25.33 C ATOM 0 H ILE A 68 7.773 -6.402 4.893 1.00 42.23 H new ATOM 0 HA ILE A 68 7.007 -4.067 3.476 1.00 60.20 H new ATOM 0 HB ILE A 68 9.617 -5.284 4.443 1.00 63.40 H new ATOM 0 HG12 ILE A 68 8.099 -2.708 5.104 1.00 61.33 H new ATOM 0 HG13 ILE A 68 8.137 -4.158 6.087 1.00 61.33 H new ATOM 0 HG21 ILE A 68 10.895 -3.325 3.688 1.00 3.02 H new ATOM 0 HG22 ILE A 68 10.269 -4.293 2.332 1.00 3.02 H new ATOM 0 HG23 ILE A 68 9.479 -2.760 2.770 1.00 3.02 H new ATOM 0 HD11 ILE A 68 9.593 -2.429 7.018 1.00 25.33 H new ATOM 0 HD12 ILE A 68 10.552 -3.834 6.495 1.00 25.33 H new ATOM 0 HD13 ILE A 68 10.513 -2.362 5.496 1.00 25.33 H new ATOM 1110 N LYS A 69 8.587 -6.445 1.778 1.00 53.33 N ATOM 1111 CA LYS A 69 8.919 -6.967 0.445 1.00 74.03 C ATOM 1112 C LYS A 69 7.632 -7.236 -0.356 1.00 10.21 C ATOM 1113 O LYS A 69 7.537 -6.878 -1.546 1.00 14.24 O ATOM 1114 CB LYS A 69 9.760 -8.254 0.612 1.00 13.12 C ATOM 1115 CG LYS A 69 10.435 -8.774 -0.675 1.00 64.22 C ATOM 1116 CD LYS A 69 11.304 -10.032 -0.430 1.00 52.44 C ATOM 1117 CE LYS A 69 12.341 -9.844 0.700 1.00 73.24 C ATOM 1118 NZ LYS A 69 13.225 -8.665 0.464 1.00 23.50 N ATOM 0 H LYS A 69 8.884 -7.055 2.539 1.00 53.33 H new ATOM 0 HA LYS A 69 9.502 -6.233 -0.112 1.00 74.03 H new ATOM 0 HB2 LYS A 69 10.533 -8.069 1.358 1.00 13.12 H new ATOM 0 HB3 LYS A 69 9.116 -9.040 1.008 1.00 13.12 H new ATOM 0 HG2 LYS A 69 9.668 -9.006 -1.414 1.00 64.22 H new ATOM 0 HG3 LYS A 69 11.057 -7.985 -1.098 1.00 64.22 H new ATOM 0 HD2 LYS A 69 10.655 -10.872 -0.183 1.00 52.44 H new ATOM 0 HD3 LYS A 69 11.824 -10.292 -1.352 1.00 52.44 H new ATOM 0 HE2 LYS A 69 11.822 -9.722 1.651 1.00 73.24 H new ATOM 0 HE3 LYS A 69 12.952 -10.743 0.783 1.00 73.24 H new ATOM 0 HZ1 LYS A 69 13.926 -8.598 1.229 1.00 23.50 H new ATOM 0 HZ2 LYS A 69 13.716 -8.776 -0.446 1.00 23.50 H new ATOM 0 HZ3 LYS A 69 12.650 -7.799 0.444 1.00 23.50 H new ATOM 1132 N GLN A 70 6.627 -7.816 0.344 1.00 41.32 N ATOM 1133 CA GLN A 70 5.301 -8.078 -0.225 1.00 54.11 C ATOM 1134 C GLN A 70 4.654 -6.769 -0.681 1.00 12.33 C ATOM 1135 O GLN A 70 4.384 -6.610 -1.858 1.00 63.42 O ATOM 1136 CB GLN A 70 4.369 -8.814 0.785 1.00 72.31 C ATOM 1137 CG GLN A 70 4.736 -10.283 1.067 1.00 23.04 C ATOM 1138 CD GLN A 70 4.741 -11.160 -0.190 1.00 64.23 C ATOM 1139 OE1 GLN A 70 5.767 -11.325 -0.852 1.00 42.22 O ATOM 1140 NE2 GLN A 70 3.596 -11.714 -0.538 1.00 3.21 N ATOM 0 H GLN A 70 6.722 -8.111 1.316 1.00 41.32 H new ATOM 0 HA GLN A 70 5.437 -8.734 -1.085 1.00 54.11 H new ATOM 0 HB2 GLN A 70 4.378 -8.267 1.728 1.00 72.31 H new ATOM 0 HB3 GLN A 70 3.348 -8.778 0.405 1.00 72.31 H new ATOM 0 HG2 GLN A 70 5.721 -10.321 1.532 1.00 23.04 H new ATOM 0 HG3 GLN A 70 4.028 -10.695 1.786 1.00 23.04 H new ATOM 0 HE21 GLN A 70 2.762 -11.560 0.029 1.00 3.21 H new ATOM 0 HE22 GLN A 70 3.544 -12.296 -1.374 1.00 3.21 H new ATOM 1149 N THR A 71 4.477 -5.815 0.251 1.00 44.14 N ATOM 1150 CA THR A 71 3.741 -4.580 -0.037 1.00 34.34 C ATOM 1151 C THR A 71 4.470 -3.706 -1.070 1.00 75.45 C ATOM 1152 O THR A 71 3.819 -3.073 -1.864 1.00 73.50 O ATOM 1153 CB THR A 71 3.400 -3.746 1.242 1.00 51.52 C ATOM 1154 OG1 THR A 71 2.522 -2.661 0.893 1.00 61.01 O ATOM 1155 CG2 THR A 71 4.637 -3.176 1.955 1.00 33.34 C ATOM 0 H THR A 71 4.833 -5.879 1.205 1.00 44.14 H new ATOM 0 HA THR A 71 2.792 -4.905 -0.465 1.00 34.34 H new ATOM 0 HB THR A 71 2.920 -4.435 1.937 1.00 51.52 H new ATOM 0 HG1 THR A 71 2.946 -1.809 1.128 1.00 61.01 H new ATOM 0 HG21 THR A 71 4.323 -2.610 2.832 1.00 33.34 H new ATOM 0 HG22 THR A 71 5.287 -3.994 2.265 1.00 33.34 H new ATOM 0 HG23 THR A 71 5.179 -2.519 1.274 1.00 33.34 H new ATOM 1163 N LEU A 72 5.816 -3.704 -1.073 1.00 74.05 N ATOM 1164 CA LEU A 72 6.602 -2.935 -2.064 1.00 44.15 C ATOM 1165 C LEU A 72 6.442 -3.515 -3.478 1.00 62.21 C ATOM 1166 O LEU A 72 6.309 -2.757 -4.435 1.00 25.23 O ATOM 1167 CB LEU A 72 8.108 -2.849 -1.677 1.00 63.41 C ATOM 1168 CG LEU A 72 8.451 -1.959 -0.437 1.00 22.40 C ATOM 1169 CD1 LEU A 72 9.973 -1.919 -0.181 1.00 74.10 C ATOM 1170 CD2 LEU A 72 7.868 -0.538 -0.588 1.00 62.35 C ATOM 0 H LEU A 72 6.383 -4.224 -0.403 1.00 74.05 H new ATOM 0 HA LEU A 72 6.202 -1.921 -2.061 1.00 44.15 H new ATOM 0 HB2 LEU A 72 8.471 -3.859 -1.485 1.00 63.41 H new ATOM 0 HB3 LEU A 72 8.662 -2.469 -2.536 1.00 63.41 H new ATOM 0 HG LEU A 72 7.983 -2.414 0.436 1.00 22.40 H new ATOM 0 HD11 LEU A 72 10.180 -1.293 0.687 1.00 74.10 H new ATOM 0 HD12 LEU A 72 10.337 -2.929 0.006 1.00 74.10 H new ATOM 0 HD13 LEU A 72 10.478 -1.507 -1.054 1.00 74.10 H new ATOM 0 HD21 LEU A 72 8.124 0.055 0.290 1.00 62.35 H new ATOM 0 HD22 LEU A 72 8.284 -0.067 -1.478 1.00 62.35 H new ATOM 0 HD23 LEU A 72 6.784 -0.598 -0.682 1.00 62.35 H new ATOM 1182 N ASP A 73 6.438 -4.859 -3.594 1.00 3.41 N ATOM 1183 CA ASP A 73 6.308 -5.562 -4.897 1.00 52.11 C ATOM 1184 C ASP A 73 4.857 -5.483 -5.442 1.00 51.44 C ATOM 1185 O ASP A 73 4.620 -5.162 -6.622 1.00 63.45 O ATOM 1186 CB ASP A 73 6.742 -7.043 -4.732 1.00 10.34 C ATOM 1187 CG ASP A 73 6.588 -7.867 -6.024 1.00 42.41 C ATOM 1188 OD1 ASP A 73 5.606 -8.639 -6.147 1.00 41.20 O ATOM 1189 OD2 ASP A 73 7.440 -7.725 -6.929 1.00 52.31 O ATOM 0 H ASP A 73 6.524 -5.488 -2.796 1.00 3.41 H new ATOM 0 HA ASP A 73 6.958 -5.069 -5.620 1.00 52.11 H new ATOM 0 HB2 ASP A 73 7.783 -7.076 -4.409 1.00 10.34 H new ATOM 0 HB3 ASP A 73 6.148 -7.503 -3.942 1.00 10.34 H new ATOM 1194 N ASN A 74 3.898 -5.773 -4.556 1.00 2.41 N ATOM 1195 CA ASN A 74 2.470 -5.821 -4.889 1.00 42.34 C ATOM 1196 C ASN A 74 1.937 -4.415 -5.187 1.00 2.11 C ATOM 1197 O ASN A 74 1.124 -4.243 -6.103 1.00 42.42 O ATOM 1198 CB ASN A 74 1.665 -6.483 -3.742 1.00 33.33 C ATOM 1199 CG ASN A 74 2.086 -7.928 -3.409 1.00 2.33 C ATOM 1200 OD1 ASN A 74 2.037 -8.343 -2.251 1.00 61.21 O ATOM 1201 ND2 ASN A 74 2.486 -8.719 -4.403 1.00 41.55 N ATOM 0 H ASN A 74 4.093 -5.983 -3.577 1.00 2.41 H new ATOM 0 HA ASN A 74 2.347 -6.428 -5.786 1.00 42.34 H new ATOM 0 HB2 ASN A 74 1.769 -5.873 -2.845 1.00 33.33 H new ATOM 0 HB3 ASN A 74 0.608 -6.480 -4.009 1.00 33.33 H new ATOM 0 HD21 ASN A 74 2.757 -9.683 -4.210 1.00 41.55 H new ATOM 0 HD22 ASN A 74 2.521 -8.361 -5.357 1.00 41.55 H new ATOM 1208 N GLU A 75 2.419 -3.410 -4.419 1.00 32.22 N ATOM 1209 CA GLU A 75 2.076 -1.995 -4.649 1.00 14.22 C ATOM 1210 C GLU A 75 2.831 -1.445 -5.870 1.00 71.13 C ATOM 1211 O GLU A 75 2.304 -0.605 -6.561 1.00 24.21 O ATOM 1212 CB GLU A 75 2.351 -1.116 -3.411 1.00 23.21 C ATOM 1213 CG GLU A 75 1.922 0.352 -3.545 1.00 53.22 C ATOM 1214 CD GLU A 75 2.391 1.214 -2.379 1.00 22.53 C ATOM 1215 OE1 GLU A 75 1.624 1.384 -1.405 1.00 12.23 O ATOM 1216 OE2 GLU A 75 3.535 1.722 -2.439 1.00 15.22 O ATOM 0 H GLU A 75 3.050 -3.559 -3.631 1.00 32.22 H new ATOM 0 HA GLU A 75 1.004 -1.956 -4.844 1.00 14.22 H new ATOM 0 HB2 GLU A 75 1.837 -1.552 -2.554 1.00 23.21 H new ATOM 0 HB3 GLU A 75 3.418 -1.148 -3.192 1.00 23.21 H new ATOM 0 HG2 GLU A 75 2.320 0.759 -4.475 1.00 53.22 H new ATOM 0 HG3 GLU A 75 0.835 0.403 -3.615 1.00 53.22 H new ATOM 1223 N GLN A 76 4.059 -1.937 -6.132 1.00 70.55 N ATOM 1224 CA GLN A 76 4.803 -1.635 -7.388 1.00 44.44 C ATOM 1225 C GLN A 76 3.913 -1.942 -8.605 1.00 12.40 C ATOM 1226 O GLN A 76 3.721 -1.103 -9.494 1.00 55.12 O ATOM 1227 CB GLN A 76 6.107 -2.480 -7.453 1.00 33.43 C ATOM 1228 CG GLN A 76 6.816 -2.523 -8.816 1.00 54.22 C ATOM 1229 CD GLN A 76 8.011 -3.479 -8.837 1.00 55.00 C ATOM 1230 OE1 GLN A 76 9.148 -3.085 -8.571 1.00 61.04 O ATOM 1231 NE2 GLN A 76 7.759 -4.754 -9.113 1.00 50.43 N ATOM 0 H GLN A 76 4.565 -2.549 -5.492 1.00 70.55 H new ATOM 0 HA GLN A 76 5.070 -0.578 -7.399 1.00 44.44 H new ATOM 0 HB2 GLN A 76 6.807 -2.089 -6.714 1.00 33.43 H new ATOM 0 HB3 GLN A 76 5.869 -3.502 -7.157 1.00 33.43 H new ATOM 0 HG2 GLN A 76 6.102 -2.826 -9.582 1.00 54.22 H new ATOM 0 HG3 GLN A 76 7.155 -1.520 -9.075 1.00 54.22 H new ATOM 0 HE21 GLN A 76 6.807 -5.050 -9.330 1.00 50.43 H new ATOM 0 HE22 GLN A 76 8.517 -5.436 -9.108 1.00 50.43 H new ATOM 1240 N LEU A 77 3.324 -3.146 -8.580 1.00 50.21 N ATOM 1241 CA LEU A 77 2.402 -3.592 -9.626 1.00 21.44 C ATOM 1242 C LEU A 77 1.045 -2.850 -9.548 1.00 74.33 C ATOM 1243 O LEU A 77 0.427 -2.627 -10.584 1.00 50.13 O ATOM 1244 CB LEU A 77 2.221 -5.124 -9.556 1.00 40.44 C ATOM 1245 CG LEU A 77 3.445 -5.981 -9.998 1.00 61.24 C ATOM 1246 CD1 LEU A 77 3.164 -7.484 -9.808 1.00 63.03 C ATOM 1247 CD2 LEU A 77 3.836 -5.673 -11.459 1.00 64.10 C ATOM 0 H LEU A 77 3.474 -3.831 -7.839 1.00 50.21 H new ATOM 0 HA LEU A 77 2.837 -3.343 -10.594 1.00 21.44 H new ATOM 0 HB2 LEU A 77 1.967 -5.393 -8.531 1.00 40.44 H new ATOM 0 HB3 LEU A 77 1.369 -5.397 -10.178 1.00 40.44 H new ATOM 0 HG LEU A 77 4.288 -5.714 -9.361 1.00 61.24 H new ATOM 0 HD11 LEU A 77 4.034 -8.060 -10.124 1.00 63.03 H new ATOM 0 HD12 LEU A 77 2.958 -7.686 -8.757 1.00 63.03 H new ATOM 0 HD13 LEU A 77 2.301 -7.772 -10.409 1.00 63.03 H new ATOM 0 HD21 LEU A 77 4.693 -6.284 -11.743 1.00 64.10 H new ATOM 0 HD22 LEU A 77 2.996 -5.899 -12.116 1.00 64.10 H new ATOM 0 HD23 LEU A 77 4.096 -4.618 -11.552 1.00 64.10 H new ATOM 1259 N LEU A 78 0.605 -2.463 -8.326 1.00 34.32 N ATOM 1260 CA LEU A 78 -0.637 -1.666 -8.125 1.00 0.43 C ATOM 1261 C LEU A 78 -0.528 -0.291 -8.804 1.00 24.44 C ATOM 1262 O LEU A 78 -1.219 -0.039 -9.777 1.00 71.24 O ATOM 1263 CB LEU A 78 -0.972 -1.497 -6.596 1.00 50.34 C ATOM 1264 CG LEU A 78 -1.892 -2.593 -5.979 1.00 33.44 C ATOM 1265 CD1 LEU A 78 -1.931 -2.522 -4.436 1.00 52.33 C ATOM 1266 CD2 LEU A 78 -3.307 -2.472 -6.575 1.00 33.13 C ATOM 0 H LEU A 78 1.092 -2.690 -7.459 1.00 34.32 H new ATOM 0 HA LEU A 78 -1.454 -2.217 -8.591 1.00 0.43 H new ATOM 0 HB2 LEU A 78 -0.036 -1.479 -6.038 1.00 50.34 H new ATOM 0 HB3 LEU A 78 -1.448 -0.527 -6.453 1.00 50.34 H new ATOM 0 HG LEU A 78 -1.476 -3.568 -6.233 1.00 33.44 H new ATOM 0 HD11 LEU A 78 -2.585 -3.305 -4.052 1.00 52.33 H new ATOM 0 HD12 LEU A 78 -0.925 -2.662 -4.040 1.00 52.33 H new ATOM 0 HD13 LEU A 78 -2.310 -1.548 -4.126 1.00 52.33 H new ATOM 0 HD21 LEU A 78 -3.950 -3.239 -6.143 1.00 33.13 H new ATOM 0 HD22 LEU A 78 -3.714 -1.487 -6.348 1.00 33.13 H new ATOM 0 HD23 LEU A 78 -3.259 -2.605 -7.656 1.00 33.13 H new ATOM 1278 N LYS A 79 0.391 0.558 -8.311 1.00 11.41 N ATOM 1279 CA LYS A 79 0.551 1.948 -8.793 1.00 75.12 C ATOM 1280 C LYS A 79 1.133 2.002 -10.211 1.00 72.30 C ATOM 1281 O LYS A 79 0.927 2.986 -10.908 1.00 32.44 O ATOM 1282 CB LYS A 79 1.386 2.797 -7.789 1.00 71.00 C ATOM 1283 CG LYS A 79 2.812 2.287 -7.504 1.00 71.40 C ATOM 1284 CD LYS A 79 3.454 2.960 -6.264 1.00 52.21 C ATOM 1285 CE LYS A 79 4.722 2.232 -5.788 1.00 13.31 C ATOM 1286 NZ LYS A 79 5.764 2.147 -6.846 1.00 20.54 N ATOM 0 H LYS A 79 1.044 0.304 -7.569 1.00 11.41 H new ATOM 0 HA LYS A 79 -0.444 2.390 -8.849 1.00 75.12 H new ATOM 0 HB2 LYS A 79 1.454 3.815 -8.172 1.00 71.00 H new ATOM 0 HB3 LYS A 79 0.843 2.847 -6.845 1.00 71.00 H new ATOM 0 HG2 LYS A 79 2.783 1.208 -7.352 1.00 71.40 H new ATOM 0 HG3 LYS A 79 3.439 2.470 -8.376 1.00 71.40 H new ATOM 0 HD2 LYS A 79 3.701 3.994 -6.503 1.00 52.21 H new ATOM 0 HD3 LYS A 79 2.727 2.986 -5.452 1.00 52.21 H new ATOM 0 HE2 LYS A 79 5.131 2.751 -4.921 1.00 13.31 H new ATOM 0 HE3 LYS A 79 4.458 1.226 -5.462 1.00 13.31 H new ATOM 0 HZ1 LYS A 79 6.695 2.002 -6.406 1.00 20.54 H new ATOM 0 HZ2 LYS A 79 5.552 1.349 -7.478 1.00 20.54 H new ATOM 0 HZ3 LYS A 79 5.774 3.030 -7.395 1.00 20.54 H new ATOM 1300 N GLY A 80 1.848 0.939 -10.629 1.00 2.21 N ATOM 1301 CA GLY A 80 2.270 0.790 -12.027 1.00 72.31 C ATOM 1302 C GLY A 80 1.085 0.573 -12.973 1.00 42.00 C ATOM 1303 O GLY A 80 0.943 1.283 -13.980 1.00 43.01 O ATOM 0 H GLY A 80 2.142 0.177 -10.018 1.00 2.21 H new ATOM 0 HA2 GLY A 80 2.819 1.680 -12.335 1.00 72.31 H new ATOM 0 HA3 GLY A 80 2.956 -0.053 -12.109 1.00 72.31 H new ATOM 1307 N LEU A 81 0.222 -0.400 -12.614 1.00 61.45 N ATOM 1308 CA LEU A 81 -0.989 -0.756 -13.388 1.00 0.21 C ATOM 1309 C LEU A 81 -2.004 0.397 -13.383 1.00 34.43 C ATOM 1310 O LEU A 81 -2.636 0.669 -14.395 1.00 51.21 O ATOM 1311 CB LEU A 81 -1.614 -2.064 -12.802 1.00 12.42 C ATOM 1312 CG LEU A 81 -2.958 -2.611 -13.430 1.00 10.53 C ATOM 1313 CD1 LEU A 81 -3.032 -4.152 -13.344 1.00 53.51 C ATOM 1314 CD2 LEU A 81 -4.212 -1.988 -12.759 1.00 3.32 C ATOM 0 H LEU A 81 0.345 -0.965 -11.774 1.00 61.45 H new ATOM 0 HA LEU A 81 -0.709 -0.934 -14.426 1.00 0.21 H new ATOM 0 HB2 LEU A 81 -0.866 -2.853 -12.883 1.00 12.42 H new ATOM 0 HB3 LEU A 81 -1.789 -1.899 -11.739 1.00 12.42 H new ATOM 0 HG LEU A 81 -2.952 -2.315 -14.479 1.00 10.53 H new ATOM 0 HD11 LEU A 81 -3.968 -4.496 -13.784 1.00 53.51 H new ATOM 0 HD12 LEU A 81 -2.193 -4.587 -13.887 1.00 53.51 H new ATOM 0 HD13 LEU A 81 -2.987 -4.461 -12.300 1.00 53.51 H new ATOM 0 HD21 LEU A 81 -5.112 -2.393 -13.222 1.00 3.32 H new ATOM 0 HD22 LEU A 81 -4.212 -2.227 -11.696 1.00 3.32 H new ATOM 0 HD23 LEU A 81 -4.193 -0.906 -12.887 1.00 3.32 H new ATOM 1326 N LEU A 82 -2.148 1.049 -12.221 1.00 60.14 N ATOM 1327 CA LEU A 82 -3.160 2.091 -11.988 1.00 62.30 C ATOM 1328 C LEU A 82 -2.736 3.439 -12.568 1.00 62.40 C ATOM 1329 O LEU A 82 -3.598 4.225 -12.967 1.00 74.41 O ATOM 1330 CB LEU A 82 -3.445 2.204 -10.473 1.00 13.11 C ATOM 1331 CG LEU A 82 -4.286 1.040 -9.863 1.00 53.54 C ATOM 1332 CD1 LEU A 82 -4.126 0.983 -8.339 1.00 12.30 C ATOM 1333 CD2 LEU A 82 -5.767 1.177 -10.250 1.00 32.32 C ATOM 0 H LEU A 82 -1.560 0.867 -11.408 1.00 60.14 H new ATOM 0 HA LEU A 82 -4.075 1.801 -12.506 1.00 62.30 H new ATOM 0 HB2 LEU A 82 -2.493 2.258 -9.944 1.00 13.11 H new ATOM 0 HB3 LEU A 82 -3.967 3.143 -10.287 1.00 13.11 H new ATOM 0 HG LEU A 82 -3.910 0.103 -10.275 1.00 53.54 H new ATOM 0 HD11 LEU A 82 -4.723 0.163 -7.941 1.00 12.30 H new ATOM 0 HD12 LEU A 82 -3.077 0.823 -8.089 1.00 12.30 H new ATOM 0 HD13 LEU A 82 -4.464 1.923 -7.902 1.00 12.30 H new ATOM 0 HD21 LEU A 82 -6.335 0.355 -9.814 1.00 32.32 H new ATOM 0 HD22 LEU A 82 -6.155 2.124 -9.876 1.00 32.32 H new ATOM 0 HD23 LEU A 82 -5.864 1.149 -11.335 1.00 32.32 H new ATOM 1345 N GLN A 83 -1.416 3.714 -12.615 1.00 2.14 N ATOM 1346 CA GLN A 83 -0.902 4.891 -13.332 1.00 33.21 C ATOM 1347 C GLN A 83 -1.087 4.671 -14.831 1.00 51.21 C ATOM 1348 O GLN A 83 -1.552 5.567 -15.533 1.00 64.32 O ATOM 1349 CB GLN A 83 0.583 5.187 -12.998 1.00 1.41 C ATOM 1350 CG GLN A 83 1.168 6.461 -13.660 1.00 71.03 C ATOM 1351 CD GLN A 83 0.303 7.705 -13.436 1.00 71.22 C ATOM 1352 OE1 GLN A 83 0.409 8.371 -12.410 1.00 52.35 O ATOM 1353 NE2 GLN A 83 -0.549 8.040 -14.403 1.00 61.11 N ATOM 0 H GLN A 83 -0.698 3.143 -12.170 1.00 2.14 H new ATOM 0 HA GLN A 83 -1.467 5.765 -13.008 1.00 33.21 H new ATOM 0 HB2 GLN A 83 0.684 5.280 -11.917 1.00 1.41 H new ATOM 0 HB3 GLN A 83 1.185 4.330 -13.302 1.00 1.41 H new ATOM 0 HG2 GLN A 83 2.167 6.644 -13.263 1.00 71.03 H new ATOM 0 HG3 GLN A 83 1.277 6.290 -14.731 1.00 71.03 H new ATOM 0 HE21 GLN A 83 -0.616 7.468 -15.245 1.00 61.11 H new ATOM 0 HE22 GLN A 83 -1.135 8.869 -14.302 1.00 61.11 H new ATOM 1362 N GLN A 84 -0.762 3.445 -15.294 1.00 22.31 N ATOM 1363 CA GLN A 84 -0.990 3.037 -16.688 1.00 14.10 C ATOM 1364 C GLN A 84 -2.491 3.143 -17.027 1.00 65.44 C ATOM 1365 O GLN A 84 -2.842 3.640 -18.087 1.00 12.14 O ATOM 1366 CB GLN A 84 -0.479 1.594 -16.939 1.00 21.23 C ATOM 1367 CG GLN A 84 -0.639 1.096 -18.398 1.00 43.33 C ATOM 1368 CD GLN A 84 0.174 1.896 -19.430 1.00 22.12 C ATOM 1369 OE1 GLN A 84 1.253 2.415 -19.140 1.00 60.25 O ATOM 1370 NE2 GLN A 84 -0.326 1.985 -20.649 1.00 1.21 N ATOM 0 H GLN A 84 -0.339 2.720 -14.715 1.00 22.31 H new ATOM 0 HA GLN A 84 -0.429 3.708 -17.339 1.00 14.10 H new ATOM 0 HB2 GLN A 84 0.575 1.543 -16.666 1.00 21.23 H new ATOM 0 HB3 GLN A 84 -1.013 0.913 -16.276 1.00 21.23 H new ATOM 0 HG2 GLN A 84 -0.339 0.049 -18.448 1.00 43.33 H new ATOM 0 HG3 GLN A 84 -1.693 1.138 -18.671 1.00 43.33 H new ATOM 0 HE21 GLN A 84 -1.221 1.547 -20.866 1.00 1.21 H new ATOM 0 HE22 GLN A 84 0.183 2.491 -21.373 1.00 1.21 H new ATOM 1379 N ARG A 85 -3.355 2.742 -16.066 1.00 1.24 N ATOM 1380 CA ARG A 85 -4.812 2.717 -16.242 1.00 63.41 C ATOM 1381 C ARG A 85 -5.348 4.135 -16.435 1.00 75.11 C ATOM 1382 O ARG A 85 -5.957 4.423 -17.449 1.00 33.52 O ATOM 1383 CB ARG A 85 -5.522 2.042 -15.031 1.00 13.34 C ATOM 1384 CG ARG A 85 -7.069 1.930 -15.157 1.00 3.42 C ATOM 1385 CD ARG A 85 -7.556 0.817 -16.114 1.00 33.04 C ATOM 1386 NE ARG A 85 -7.029 0.907 -17.492 1.00 3.43 N ATOM 1387 CZ ARG A 85 -7.756 0.906 -18.622 1.00 5.30 C ATOM 1388 NH1 ARG A 85 -9.089 0.827 -18.595 1.00 44.42 N ATOM 1389 NH2 ARG A 85 -7.133 0.960 -19.790 1.00 50.41 N ATOM 0 H ARG A 85 -3.052 2.426 -15.145 1.00 1.24 H new ATOM 0 HA ARG A 85 -5.027 2.126 -17.132 1.00 63.41 H new ATOM 0 HB2 ARG A 85 -5.110 1.042 -14.898 1.00 13.34 H new ATOM 0 HB3 ARG A 85 -5.286 2.607 -14.129 1.00 13.34 H new ATOM 0 HG2 ARG A 85 -7.489 1.750 -14.167 1.00 3.42 H new ATOM 0 HG3 ARG A 85 -7.463 2.886 -15.502 1.00 3.42 H new ATOM 0 HD2 ARG A 85 -7.276 -0.150 -15.696 1.00 33.04 H new ATOM 0 HD3 ARG A 85 -8.645 0.843 -16.154 1.00 33.04 H new ATOM 0 HE ARG A 85 -6.017 0.977 -17.595 1.00 3.43 H new ATOM 0 HH11 ARG A 85 -9.578 0.766 -17.702 1.00 44.42 H new ATOM 0 HH12 ARG A 85 -9.618 0.828 -19.467 1.00 44.42 H new ATOM 0 HH21 ARG A 85 -6.114 1.002 -19.823 1.00 50.41 H new ATOM 0 HH22 ARG A 85 -7.672 0.960 -20.656 1.00 50.41 H new ATOM 1403 N LEU A 86 -5.066 5.017 -15.460 1.00 50.45 N ATOM 1404 CA LEU A 86 -5.577 6.404 -15.455 1.00 61.40 C ATOM 1405 C LEU A 86 -4.932 7.263 -16.557 1.00 65.22 C ATOM 1406 O LEU A 86 -5.501 8.278 -16.949 1.00 60.51 O ATOM 1407 CB LEU A 86 -5.347 7.055 -14.071 1.00 33.31 C ATOM 1408 CG LEU A 86 -6.051 6.361 -12.862 1.00 12.02 C ATOM 1409 CD1 LEU A 86 -5.601 6.996 -11.532 1.00 13.15 C ATOM 1410 CD2 LEU A 86 -7.592 6.391 -13.004 1.00 23.40 C ATOM 0 H LEU A 86 -4.480 4.792 -14.656 1.00 50.45 H new ATOM 0 HA LEU A 86 -6.646 6.356 -15.660 1.00 61.40 H new ATOM 0 HB2 LEU A 86 -4.275 7.079 -13.877 1.00 33.31 H new ATOM 0 HB3 LEU A 86 -5.686 8.090 -14.118 1.00 33.31 H new ATOM 0 HG LEU A 86 -5.749 5.314 -12.859 1.00 12.02 H new ATOM 0 HD11 LEU A 86 -6.103 6.498 -10.703 1.00 13.15 H new ATOM 0 HD12 LEU A 86 -4.522 6.885 -11.422 1.00 13.15 H new ATOM 0 HD13 LEU A 86 -5.859 8.055 -11.529 1.00 13.15 H new ATOM 0 HD21 LEU A 86 -8.046 5.899 -12.144 1.00 23.40 H new ATOM 0 HD22 LEU A 86 -7.933 7.425 -13.052 1.00 23.40 H new ATOM 0 HD23 LEU A 86 -7.884 5.870 -13.916 1.00 23.40 H new ATOM 1422 N ASP A 87 -3.745 6.846 -17.041 1.00 65.22 N ATOM 1423 CA ASP A 87 -3.048 7.517 -18.158 1.00 73.53 C ATOM 1424 C ASP A 87 -3.714 7.147 -19.496 1.00 14.15 C ATOM 1425 O ASP A 87 -3.956 8.021 -20.339 1.00 24.21 O ATOM 1426 CB ASP A 87 -1.544 7.140 -18.162 1.00 1.12 C ATOM 1427 CG ASP A 87 -0.735 7.865 -19.249 1.00 33.13 C ATOM 1428 OD1 ASP A 87 -0.243 7.205 -20.188 1.00 42.41 O ATOM 1429 OD2 ASP A 87 -0.591 9.104 -19.162 1.00 50.33 O ATOM 0 H ASP A 87 -3.244 6.038 -16.671 1.00 65.22 H new ATOM 0 HA ASP A 87 -3.124 8.596 -18.025 1.00 73.53 H new ATOM 0 HB2 ASP A 87 -1.117 7.372 -17.186 1.00 1.12 H new ATOM 0 HB3 ASP A 87 -1.447 6.064 -18.305 1.00 1.12 H new ATOM 1434 N GLU A 88 -4.044 5.843 -19.660 1.00 12.40 N ATOM 1435 CA GLU A 88 -4.811 5.344 -20.818 1.00 70.23 C ATOM 1436 C GLU A 88 -6.190 6.008 -20.848 1.00 63.42 C ATOM 1437 O GLU A 88 -6.591 6.549 -21.870 1.00 2.12 O ATOM 1438 CB GLU A 88 -4.971 3.799 -20.760 1.00 74.10 C ATOM 1439 CG GLU A 88 -3.669 2.991 -20.954 1.00 32.14 C ATOM 1440 CD GLU A 88 -3.059 3.114 -22.362 1.00 55.20 C ATOM 1441 OE1 GLU A 88 -3.383 2.275 -23.234 1.00 64.02 O ATOM 1442 OE2 GLU A 88 -2.257 4.033 -22.606 1.00 31.22 O ATOM 0 H GLU A 88 -3.786 5.114 -18.995 1.00 12.40 H new ATOM 0 HA GLU A 88 -4.263 5.595 -21.726 1.00 70.23 H new ATOM 0 HB2 GLU A 88 -5.405 3.531 -19.796 1.00 74.10 H new ATOM 0 HB3 GLU A 88 -5.685 3.495 -21.526 1.00 74.10 H new ATOM 0 HG2 GLU A 88 -2.934 3.324 -20.221 1.00 32.14 H new ATOM 0 HG3 GLU A 88 -3.872 1.940 -20.748 1.00 32.14 H new ATOM 1449 N LEU A 89 -6.865 5.998 -19.675 1.00 15.35 N ATOM 1450 CA LEU A 89 -8.191 6.605 -19.473 1.00 0.31 C ATOM 1451 C LEU A 89 -8.161 8.109 -19.786 1.00 45.33 C ATOM 1452 O LEU A 89 -9.036 8.597 -20.478 1.00 3.01 O ATOM 1453 CB LEU A 89 -8.708 6.366 -18.023 1.00 72.14 C ATOM 1454 CG LEU A 89 -9.050 4.886 -17.642 1.00 54.25 C ATOM 1455 CD1 LEU A 89 -9.494 4.782 -16.169 1.00 22.04 C ATOM 1456 CD2 LEU A 89 -10.108 4.284 -18.592 1.00 35.00 C ATOM 0 H LEU A 89 -6.493 5.560 -18.832 1.00 15.35 H new ATOM 0 HA LEU A 89 -8.881 6.121 -20.164 1.00 0.31 H new ATOM 0 HB2 LEU A 89 -7.954 6.733 -17.326 1.00 72.14 H new ATOM 0 HB3 LEU A 89 -9.601 6.972 -17.874 1.00 72.14 H new ATOM 0 HG LEU A 89 -8.140 4.298 -17.759 1.00 54.25 H new ATOM 0 HD11 LEU A 89 -9.725 3.744 -15.931 1.00 22.04 H new ATOM 0 HD12 LEU A 89 -8.690 5.132 -15.521 1.00 22.04 H new ATOM 0 HD13 LEU A 89 -10.381 5.396 -16.012 1.00 22.04 H new ATOM 0 HD21 LEU A 89 -10.320 3.256 -18.296 1.00 35.00 H new ATOM 0 HD22 LEU A 89 -11.023 4.873 -18.537 1.00 35.00 H new ATOM 0 HD23 LEU A 89 -9.729 4.297 -19.614 1.00 35.00 H new ATOM 1468 N SER A 90 -7.113 8.816 -19.313 1.00 51.10 N ATOM 1469 CA SER A 90 -6.927 10.262 -19.581 1.00 63.43 C ATOM 1470 C SER A 90 -6.771 10.522 -21.094 1.00 20.23 C ATOM 1471 O SER A 90 -7.274 11.516 -21.616 1.00 23.15 O ATOM 1472 CB SER A 90 -5.695 10.805 -18.825 1.00 62.43 C ATOM 1473 OG SER A 90 -5.536 12.205 -19.017 1.00 31.30 O ATOM 0 H SER A 90 -6.376 8.407 -18.739 1.00 51.10 H new ATOM 0 HA SER A 90 -7.815 10.785 -19.225 1.00 63.43 H new ATOM 0 HB2 SER A 90 -5.798 10.593 -17.761 1.00 62.43 H new ATOM 0 HB3 SER A 90 -4.800 10.286 -19.168 1.00 62.43 H new ATOM 0 HG SER A 90 -4.748 12.515 -18.524 1.00 31.30 H new ATOM 1819 N MET A1001 -13.774 8.599 -8.841 1.00 34.43 N ATOM 1820 CA MET A1001 -12.865 7.492 -9.160 1.00 12.45 C ATOM 1821 C MET A1001 -11.458 8.035 -9.460 1.00 0.05 C ATOM 1822 O MET A1001 -10.481 7.579 -8.873 1.00 23.20 O ATOM 1823 CB MET A1001 -13.397 6.698 -10.380 1.00 30.23 C ATOM 1824 CG MET A1001 -12.528 5.499 -10.802 1.00 43.14 C ATOM 1825 SD MET A1001 -12.973 4.865 -12.431 1.00 24.01 S ATOM 1826 CE MET A1001 -12.478 6.221 -13.507 1.00 64.40 C ATOM 0 HA MET A1001 -12.811 6.823 -8.301 1.00 12.45 H new ATOM 0 HB2 MET A1001 -14.400 6.338 -10.152 1.00 30.23 H new ATOM 0 HB3 MET A1001 -13.487 7.379 -11.227 1.00 30.23 H new ATOM 0 HG2 MET A1001 -11.480 5.797 -10.805 1.00 43.14 H new ATOM 0 HG3 MET A1001 -12.630 4.703 -10.065 1.00 43.14 H new ATOM 0 HE1 MET A1001 -12.306 5.842 -14.514 1.00 64.40 H new ATOM 0 HE2 MET A1001 -13.267 6.973 -13.532 1.00 64.40 H new ATOM 0 HE3 MET A1001 -11.561 6.671 -13.127 1.00 64.40 H new ATOM 1836 N THR A1002 -11.384 9.037 -10.360 1.00 4.42 N ATOM 1837 CA THR A1002 -10.110 9.635 -10.780 1.00 0.42 C ATOM 1838 C THR A1002 -9.434 10.367 -9.615 1.00 41.13 C ATOM 1839 O THR A1002 -8.262 10.135 -9.354 1.00 44.31 O ATOM 1840 CB THR A1002 -10.289 10.615 -11.990 1.00 52.44 C ATOM 1841 OG1 THR A1002 -11.343 11.551 -11.717 1.00 14.24 O ATOM 1842 CG2 THR A1002 -10.593 9.861 -13.297 1.00 23.03 C ATOM 0 H THR A1002 -12.202 9.448 -10.810 1.00 4.42 H new ATOM 0 HA THR A1002 -9.471 8.813 -11.104 1.00 0.42 H new ATOM 0 HB THR A1002 -9.347 11.149 -12.120 1.00 52.44 H new ATOM 0 HG1 THR A1002 -11.445 12.160 -12.478 1.00 14.24 H new ATOM 0 HG21 THR A1002 -10.710 10.576 -14.111 1.00 23.03 H new ATOM 0 HG22 THR A1002 -9.771 9.183 -13.525 1.00 23.03 H new ATOM 0 HG23 THR A1002 -11.514 9.289 -13.181 1.00 23.03 H new ATOM 1850 N THR A1003 -10.199 11.213 -8.901 1.00 73.54 N ATOM 1851 CA THR A1003 -9.663 12.032 -7.800 1.00 11.21 C ATOM 1852 C THR A1003 -9.131 11.166 -6.640 1.00 32.13 C ATOM 1853 O THR A1003 -8.017 11.406 -6.132 1.00 43.00 O ATOM 1854 CB THR A1003 -10.729 13.035 -7.276 1.00 35.33 C ATOM 1855 OG1 THR A1003 -11.940 12.338 -6.935 1.00 34.14 O ATOM 1856 CG2 THR A1003 -11.030 14.121 -8.317 1.00 34.23 C ATOM 0 H THR A1003 -11.196 11.347 -9.069 1.00 73.54 H new ATOM 0 HA THR A1003 -8.823 12.595 -8.207 1.00 11.21 H new ATOM 0 HB THR A1003 -10.326 13.518 -6.386 1.00 35.33 H new ATOM 0 HG1 THR A1003 -12.604 12.978 -6.605 1.00 34.14 H new ATOM 0 HG21 THR A1003 -11.779 14.807 -7.921 1.00 34.23 H new ATOM 0 HG22 THR A1003 -10.117 14.672 -8.543 1.00 34.23 H new ATOM 0 HG23 THR A1003 -11.408 13.657 -9.228 1.00 34.23 H new ATOM 1864 N ARG A1004 -9.915 10.138 -6.249 1.00 4.34 N ATOM 1865 CA ARG A1004 -9.507 9.214 -5.180 1.00 22.23 C ATOM 1866 C ARG A1004 -8.288 8.389 -5.609 1.00 52.24 C ATOM 1867 O ARG A1004 -7.346 8.283 -4.840 1.00 64.11 O ATOM 1868 CB ARG A1004 -10.670 8.295 -4.710 1.00 63.22 C ATOM 1869 CG ARG A1004 -11.743 9.027 -3.876 1.00 33.33 C ATOM 1870 CD ARG A1004 -12.718 8.075 -3.173 1.00 74.03 C ATOM 1871 NE ARG A1004 -13.591 7.339 -4.102 1.00 61.32 N ATOM 1872 CZ ARG A1004 -14.178 6.161 -3.829 1.00 34.51 C ATOM 1873 NH1 ARG A1004 -13.980 5.546 -2.653 1.00 64.40 N ATOM 1874 NH2 ARG A1004 -14.983 5.614 -4.726 1.00 12.44 N ATOM 0 H ARG A1004 -10.827 9.932 -6.657 1.00 4.34 H new ATOM 0 HA ARG A1004 -9.226 9.824 -4.322 1.00 22.23 H new ATOM 0 HB2 ARG A1004 -11.144 7.849 -5.584 1.00 63.22 H new ATOM 0 HB3 ARG A1004 -10.258 7.477 -4.118 1.00 63.22 H new ATOM 0 HG2 ARG A1004 -11.251 9.649 -3.128 1.00 33.33 H new ATOM 0 HG3 ARG A1004 -12.305 9.696 -4.527 1.00 33.33 H new ATOM 0 HD2 ARG A1004 -12.150 7.361 -2.577 1.00 74.03 H new ATOM 0 HD3 ARG A1004 -13.337 8.647 -2.481 1.00 74.03 H new ATOM 0 HE ARG A1004 -13.763 7.753 -5.018 1.00 61.32 H new ATOM 0 HH11 ARG A1004 -13.376 5.972 -1.950 1.00 64.40 H new ATOM 0 HH12 ARG A1004 -14.433 4.652 -2.462 1.00 64.40 H new ATOM 0 HH21 ARG A1004 -15.153 6.086 -5.614 1.00 12.44 H new ATOM 0 HH22 ARG A1004 -15.434 4.720 -4.529 1.00 12.44 H new ATOM 1888 N LEU A1005 -8.286 7.869 -6.854 1.00 40.13 N ATOM 1889 CA LEU A1005 -7.173 7.032 -7.353 1.00 43.21 C ATOM 1890 C LEU A1005 -5.880 7.848 -7.594 1.00 72.13 C ATOM 1891 O LEU A1005 -4.800 7.295 -7.461 1.00 63.30 O ATOM 1892 CB LEU A1005 -7.569 6.224 -8.626 1.00 35.12 C ATOM 1893 CG LEU A1005 -8.500 4.984 -8.414 1.00 41.20 C ATOM 1894 CD1 LEU A1005 -8.771 4.268 -9.757 1.00 43.21 C ATOM 1895 CD2 LEU A1005 -7.910 4.004 -7.368 1.00 23.30 C ATOM 0 H LEU A1005 -9.037 8.012 -7.529 1.00 40.13 H new ATOM 0 HA LEU A1005 -6.960 6.315 -6.560 1.00 43.21 H new ATOM 0 HB2 LEU A1005 -8.062 6.904 -9.320 1.00 35.12 H new ATOM 0 HB3 LEU A1005 -6.654 5.883 -9.110 1.00 35.12 H new ATOM 0 HG LEU A1005 -9.451 5.344 -8.022 1.00 41.20 H new ATOM 0 HD11 LEU A1005 -9.420 3.409 -9.587 1.00 43.21 H new ATOM 0 HD12 LEU A1005 -9.257 4.959 -10.446 1.00 43.21 H new ATOM 0 HD13 LEU A1005 -7.828 3.930 -10.186 1.00 43.21 H new ATOM 0 HD21 LEU A1005 -8.582 3.155 -7.246 1.00 23.30 H new ATOM 0 HD22 LEU A1005 -6.937 3.651 -7.709 1.00 23.30 H new ATOM 0 HD23 LEU A1005 -7.796 4.517 -6.413 1.00 23.30 H new ATOM 1907 N THR A1006 -5.982 9.152 -7.929 1.00 13.21 N ATOM 1908 CA THR A1006 -4.785 10.022 -8.095 1.00 61.44 C ATOM 1909 C THR A1006 -4.164 10.356 -6.717 1.00 31.32 C ATOM 1910 O THR A1006 -2.935 10.279 -6.544 1.00 13.14 O ATOM 1911 CB THR A1006 -5.104 11.335 -8.886 1.00 12.02 C ATOM 1912 OG1 THR A1006 -6.195 12.033 -8.269 1.00 40.54 O ATOM 1913 CG2 THR A1006 -5.449 11.048 -10.363 1.00 24.42 C ATOM 0 H THR A1006 -6.870 9.627 -8.090 1.00 13.21 H new ATOM 0 HA THR A1006 -4.062 9.461 -8.687 1.00 61.44 H new ATOM 0 HB THR A1006 -4.207 11.954 -8.861 1.00 12.02 H new ATOM 0 HG1 THR A1006 -7.032 11.555 -8.447 1.00 40.54 H new ATOM 0 HG21 THR A1006 -5.664 11.986 -10.875 1.00 24.42 H new ATOM 0 HG22 THR A1006 -4.604 10.556 -10.845 1.00 24.42 H new ATOM 0 HG23 THR A1006 -6.323 10.399 -10.413 1.00 24.42 H new ATOM 1921 N ARG A1007 -5.037 10.705 -5.737 1.00 15.52 N ATOM 1922 CA ARG A1007 -4.643 10.880 -4.311 1.00 3.24 C ATOM 1923 C ARG A1007 -3.999 9.580 -3.766 1.00 31.42 C ATOM 1924 O ARG A1007 -2.995 9.609 -3.048 1.00 61.40 O ATOM 1925 CB ARG A1007 -5.894 11.242 -3.466 1.00 11.31 C ATOM 1926 CG ARG A1007 -5.656 11.329 -1.936 1.00 12.31 C ATOM 1927 CD ARG A1007 -6.964 11.515 -1.150 1.00 15.00 C ATOM 1928 NE ARG A1007 -6.753 11.450 0.307 1.00 32.42 N ATOM 1929 CZ ARG A1007 -7.729 11.407 1.226 1.00 21.32 C ATOM 1930 NH1 ARG A1007 -9.014 11.430 0.868 1.00 63.30 N ATOM 1931 NH2 ARG A1007 -7.411 11.342 2.509 1.00 54.00 N ATOM 0 H ARG A1007 -6.028 10.873 -5.909 1.00 15.52 H new ATOM 0 HA ARG A1007 -3.913 11.686 -4.243 1.00 3.24 H new ATOM 0 HB2 ARG A1007 -6.281 12.200 -3.812 1.00 11.31 H new ATOM 0 HB3 ARG A1007 -6.668 10.498 -3.655 1.00 11.31 H new ATOM 0 HG2 ARG A1007 -5.157 10.421 -1.596 1.00 12.31 H new ATOM 0 HG3 ARG A1007 -4.985 12.161 -1.722 1.00 12.31 H new ATOM 0 HD2 ARG A1007 -7.407 12.477 -1.408 1.00 15.00 H new ATOM 0 HD3 ARG A1007 -7.677 10.745 -1.447 1.00 15.00 H new ATOM 0 HE ARG A1007 -5.790 11.437 0.643 1.00 32.42 H new ATOM 0 HH11 ARG A1007 -9.268 11.481 -0.119 1.00 63.30 H new ATOM 0 HH12 ARG A1007 -9.743 11.397 1.581 1.00 63.30 H new ATOM 0 HH21 ARG A1007 -6.431 11.325 2.791 1.00 54.00 H new ATOM 0 HH22 ARG A1007 -8.146 11.309 3.216 1.00 54.00 H new ATOM 1945 N TRP A1008 -4.601 8.457 -4.167 1.00 2.20 N ATOM 1946 CA TRP A1008 -4.157 7.099 -3.837 1.00 43.13 C ATOM 1947 C TRP A1008 -2.746 6.852 -4.398 1.00 34.35 C ATOM 1948 O TRP A1008 -1.873 6.446 -3.651 1.00 14.34 O ATOM 1949 CB TRP A1008 -5.234 6.105 -4.378 1.00 3.11 C ATOM 1950 CG TRP A1008 -4.815 4.685 -4.679 1.00 21.31 C ATOM 1951 CD1 TRP A1008 -4.261 4.227 -5.836 1.00 33.04 C ATOM 1952 CD2 TRP A1008 -4.993 3.533 -3.848 1.00 41.11 C ATOM 1953 NE1 TRP A1008 -4.043 2.887 -5.756 1.00 11.13 N ATOM 1954 CE2 TRP A1008 -4.496 2.430 -4.558 1.00 73.14 C ATOM 1955 CE3 TRP A1008 -5.505 3.332 -2.571 1.00 33.44 C ATOM 1956 CZ2 TRP A1008 -4.500 1.143 -4.040 1.00 74.30 C ATOM 1957 CZ3 TRP A1008 -5.524 2.054 -2.059 1.00 10.33 C ATOM 1958 CH2 TRP A1008 -5.025 0.976 -2.795 1.00 4.34 C ATOM 0 H TRP A1008 -5.438 8.468 -4.749 1.00 2.20 H new ATOM 0 HA TRP A1008 -4.071 6.950 -2.761 1.00 43.13 H new ATOM 0 HB2 TRP A1008 -6.044 6.065 -3.650 1.00 3.11 H new ATOM 0 HB3 TRP A1008 -5.648 6.530 -5.292 1.00 3.11 H new ATOM 0 HD1 TRP A1008 -4.028 4.840 -6.694 1.00 33.04 H new ATOM 0 HE1 TRP A1008 -3.608 2.315 -6.480 1.00 11.13 H new ATOM 0 HE3 TRP A1008 -5.881 4.163 -1.992 1.00 33.44 H new ATOM 0 HZ2 TRP A1008 -4.104 0.309 -4.600 1.00 74.30 H new ATOM 0 HZ3 TRP A1008 -5.931 1.882 -1.073 1.00 10.33 H new ATOM 0 HH2 TRP A1008 -5.057 -0.014 -2.365 1.00 4.34 H new ATOM 1969 N LEU A1009 -2.525 7.177 -5.698 1.00 74.02 N ATOM 1970 CA LEU A1009 -1.234 6.922 -6.389 1.00 21.32 C ATOM 1971 C LEU A1009 -0.091 7.749 -5.782 1.00 12.20 C ATOM 1972 O LEU A1009 1.025 7.237 -5.626 1.00 3.21 O ATOM 1973 CB LEU A1009 -1.336 7.215 -7.917 1.00 60.34 C ATOM 1974 CG LEU A1009 -2.213 6.237 -8.754 1.00 32.33 C ATOM 1975 CD1 LEU A1009 -2.212 6.615 -10.245 1.00 53.44 C ATOM 1976 CD2 LEU A1009 -1.778 4.780 -8.551 1.00 31.50 C ATOM 0 H LEU A1009 -3.228 7.618 -6.291 1.00 74.02 H new ATOM 0 HA LEU A1009 -1.011 5.865 -6.248 1.00 21.32 H new ATOM 0 HB2 LEU A1009 -1.731 8.223 -8.046 1.00 60.34 H new ATOM 0 HB3 LEU A1009 -0.329 7.212 -8.333 1.00 60.34 H new ATOM 0 HG LEU A1009 -3.237 6.329 -8.392 1.00 32.33 H new ATOM 0 HD11 LEU A1009 -2.834 5.912 -10.799 1.00 53.44 H new ATOM 0 HD12 LEU A1009 -2.609 7.623 -10.365 1.00 53.44 H new ATOM 0 HD13 LEU A1009 -1.193 6.579 -10.629 1.00 53.44 H new ATOM 0 HD21 LEU A1009 -2.411 4.125 -9.149 1.00 31.50 H new ATOM 0 HD22 LEU A1009 -0.739 4.664 -8.861 1.00 31.50 H new ATOM 0 HD23 LEU A1009 -1.874 4.515 -7.498 1.00 31.50 H new ATOM 1988 N THR A1010 -0.369 9.026 -5.443 1.00 52.42 N ATOM 1989 CA THR A1010 0.645 9.892 -4.816 1.00 60.30 C ATOM 1990 C THR A1010 0.902 9.457 -3.357 1.00 42.12 C ATOM 1991 O THR A1010 2.008 9.634 -2.860 1.00 52.21 O ATOM 1992 CB THR A1010 0.286 11.422 -4.895 1.00 3.13 C ATOM 1993 OG1 THR A1010 1.403 12.224 -4.460 1.00 43.23 O ATOM 1994 CG2 THR A1010 -0.947 11.797 -4.059 1.00 43.10 C ATOM 0 H THR A1010 -1.274 9.473 -5.591 1.00 52.42 H new ATOM 0 HA THR A1010 1.563 9.766 -5.390 1.00 60.30 H new ATOM 0 HB THR A1010 0.053 11.623 -5.941 1.00 3.13 H new ATOM 0 HG1 THR A1010 1.166 13.173 -4.516 1.00 43.23 H new ATOM 0 HG21 THR A1010 -1.141 12.865 -4.156 1.00 43.10 H new ATOM 0 HG22 THR A1010 -1.812 11.237 -4.415 1.00 43.10 H new ATOM 0 HG23 THR A1010 -0.764 11.555 -3.012 1.00 43.10 H new ATOM 2002 N ALA A1011 -0.125 8.867 -2.697 1.00 55.10 N ATOM 2003 CA ALA A1011 0.002 8.312 -1.331 1.00 62.32 C ATOM 2004 C ALA A1011 0.767 6.971 -1.338 1.00 70.44 C ATOM 2005 O ALA A1011 1.437 6.633 -0.354 1.00 14.01 O ATOM 2006 CB ALA A1011 -1.381 8.137 -0.691 1.00 23.41 C ATOM 0 H ALA A1011 -1.058 8.764 -3.096 1.00 55.10 H new ATOM 0 HA ALA A1011 0.576 9.021 -0.735 1.00 62.32 H new ATOM 0 HB1 ALA A1011 -1.268 7.728 0.313 1.00 23.41 H new ATOM 0 HB2 ALA A1011 -1.881 9.104 -0.635 1.00 23.41 H new ATOM 0 HB3 ALA A1011 -1.978 7.455 -1.296 1.00 23.41 H new ATOM 2012 N LEU A1012 0.653 6.211 -2.453 1.00 44.41 N ATOM 2013 CA LEU A1012 1.368 4.934 -2.632 1.00 63.34 C ATOM 2014 C LEU A1012 2.859 5.195 -2.868 1.00 72.42 C ATOM 2015 O LEU A1012 3.716 4.609 -2.222 1.00 64.14 O ATOM 2016 CB LEU A1012 0.809 4.108 -3.834 1.00 2.02 C ATOM 2017 CG LEU A1012 -0.674 3.620 -3.764 1.00 35.22 C ATOM 2018 CD1 LEU A1012 -0.933 2.511 -4.807 1.00 31.23 C ATOM 2019 CD2 LEU A1012 -1.073 3.176 -2.341 1.00 43.11 C ATOM 0 H LEU A1012 0.066 6.467 -3.246 1.00 44.41 H new ATOM 0 HA LEU A1012 1.220 4.357 -1.719 1.00 63.34 H new ATOM 0 HB2 LEU A1012 0.919 4.713 -4.734 1.00 2.02 H new ATOM 0 HB3 LEU A1012 1.443 3.231 -3.960 1.00 2.02 H new ATOM 0 HG LEU A1012 -1.313 4.468 -4.011 1.00 35.22 H new ATOM 0 HD11 LEU A1012 -1.971 2.185 -4.742 1.00 31.23 H new ATOM 0 HD12 LEU A1012 -0.737 2.899 -5.807 1.00 31.23 H new ATOM 0 HD13 LEU A1012 -0.274 1.665 -4.610 1.00 31.23 H new ATOM 0 HD21 LEU A1012 -2.112 2.845 -2.341 1.00 43.11 H new ATOM 0 HD22 LEU A1012 -0.431 2.355 -2.022 1.00 43.11 H new ATOM 0 HD23 LEU A1012 -0.959 4.014 -1.653 1.00 43.11 H new ATOM 2031 N ASP A1013 3.137 6.107 -3.813 1.00 14.20 N ATOM 2032 CA ASP A1013 4.506 6.531 -4.160 1.00 34.00 C ATOM 2033 C ASP A1013 5.184 7.193 -2.937 1.00 24.31 C ATOM 2034 O ASP A1013 6.377 6.985 -2.691 1.00 30.33 O ATOM 2035 CB ASP A1013 4.464 7.493 -5.380 1.00 73.12 C ATOM 2036 CG ASP A1013 5.863 7.870 -5.907 1.00 34.53 C ATOM 2037 OD1 ASP A1013 6.404 7.135 -6.770 1.00 75.43 O ATOM 2038 OD2 ASP A1013 6.433 8.894 -5.463 1.00 72.52 O ATOM 0 H ASP A1013 2.415 6.575 -4.362 1.00 14.20 H new ATOM 0 HA ASP A1013 5.100 5.660 -4.436 1.00 34.00 H new ATOM 0 HB2 ASP A1013 3.894 7.025 -6.183 1.00 73.12 H new ATOM 0 HB3 ASP A1013 3.932 8.402 -5.099 1.00 73.12 H new ATOM 2043 N ASN A1014 4.374 7.952 -2.160 1.00 54.01 N ATOM 2044 CA ASN A1014 4.782 8.543 -0.869 1.00 32.41 C ATOM 2045 C ASN A1014 5.173 7.446 0.133 1.00 32.14 C ATOM 2046 O ASN A1014 6.205 7.550 0.792 1.00 72.13 O ATOM 2047 CB ASN A1014 3.633 9.413 -0.297 1.00 40.20 C ATOM 2048 CG ASN A1014 3.880 9.926 1.121 1.00 35.44 C ATOM 2049 OD1 ASN A1014 4.529 10.945 1.317 1.00 41.23 O ATOM 2050 ND2 ASN A1014 3.363 9.218 2.114 1.00 51.41 N ATOM 0 H ASN A1014 3.412 8.171 -2.417 1.00 54.01 H new ATOM 0 HA ASN A1014 5.654 9.175 -1.037 1.00 32.41 H new ATOM 0 HB2 ASN A1014 3.475 10.266 -0.957 1.00 40.20 H new ATOM 0 HB3 ASN A1014 2.712 8.829 -0.305 1.00 40.20 H new ATOM 0 HD21 ASN A1014 3.501 9.517 3.079 1.00 51.41 H new ATOM 0 HD22 ASN A1014 2.827 8.373 1.913 1.00 51.41 H new ATOM 2057 N PHE A1015 4.334 6.393 0.228 1.00 63.21 N ATOM 2058 CA PHE A1015 4.585 5.256 1.119 1.00 54.40 C ATOM 2059 C PHE A1015 5.915 4.594 0.756 1.00 41.24 C ATOM 2060 O PHE A1015 6.827 4.617 1.560 1.00 34.32 O ATOM 2061 CB PHE A1015 3.417 4.237 1.061 1.00 22.52 C ATOM 2062 CG PHE A1015 3.730 2.863 1.672 1.00 61.33 C ATOM 2063 CD1 PHE A1015 3.813 1.739 0.864 1.00 71.14 C ATOM 2064 CD2 PHE A1015 3.957 2.705 3.039 1.00 63.44 C ATOM 2065 CE1 PHE A1015 4.105 0.504 1.381 1.00 33.45 C ATOM 2066 CE2 PHE A1015 4.249 1.460 3.564 1.00 11.24 C ATOM 2067 CZ PHE A1015 4.323 0.359 2.730 1.00 31.25 C ATOM 0 H PHE A1015 3.471 6.313 -0.310 1.00 63.21 H new ATOM 0 HA PHE A1015 4.648 5.621 2.144 1.00 54.40 H new ATOM 0 HB2 PHE A1015 2.557 4.662 1.579 1.00 22.52 H new ATOM 0 HB3 PHE A1015 3.126 4.098 0.020 1.00 22.52 H new ATOM 0 HD1 PHE A1015 3.643 1.839 -0.198 1.00 71.14 H new ATOM 0 HD2 PHE A1015 3.904 3.563 3.693 1.00 63.44 H new ATOM 0 HE1 PHE A1015 4.164 -0.355 0.729 1.00 33.45 H new ATOM 0 HE2 PHE A1015 4.419 1.347 4.625 1.00 11.24 H new ATOM 0 HZ PHE A1015 4.552 -0.614 3.139 1.00 31.25 H new ATOM 2077 N GLU A1016 6.005 4.083 -0.491 1.00 42.31 N ATOM 2078 CA GLU A1016 7.172 3.354 -1.019 1.00 25.33 C ATOM 2079 C GLU A1016 8.493 4.121 -0.778 1.00 51.30 C ATOM 2080 O GLU A1016 9.466 3.561 -0.232 1.00 73.20 O ATOM 2081 CB GLU A1016 6.960 3.090 -2.536 1.00 10.24 C ATOM 2082 CG GLU A1016 8.023 2.163 -3.200 1.00 52.41 C ATOM 2083 CD GLU A1016 8.705 2.783 -4.429 1.00 12.21 C ATOM 2084 OE1 GLU A1016 9.718 3.493 -4.260 1.00 35.11 O ATOM 2085 OE2 GLU A1016 8.238 2.556 -5.568 1.00 2.34 O ATOM 0 H GLU A1016 5.250 4.169 -1.171 1.00 42.31 H new ATOM 0 HA GLU A1016 7.257 2.407 -0.486 1.00 25.33 H new ATOM 0 HB2 GLU A1016 5.974 2.647 -2.678 1.00 10.24 H new ATOM 0 HB3 GLU A1016 6.957 4.047 -3.059 1.00 10.24 H new ATOM 0 HG2 GLU A1016 8.784 1.912 -2.462 1.00 52.41 H new ATOM 0 HG3 GLU A1016 7.544 1.229 -3.494 1.00 52.41 H new ATOM 2092 N ALA A1017 8.476 5.418 -1.130 1.00 43.51 N ATOM 2093 CA ALA A1017 9.631 6.317 -0.974 1.00 53.32 C ATOM 2094 C ALA A1017 10.053 6.459 0.508 1.00 52.22 C ATOM 2095 O ALA A1017 11.167 6.074 0.884 1.00 22.21 O ATOM 2096 CB ALA A1017 9.301 7.691 -1.571 1.00 15.24 C ATOM 0 H ALA A1017 7.657 5.874 -1.532 1.00 43.51 H new ATOM 0 HA ALA A1017 10.474 5.880 -1.510 1.00 53.32 H new ATOM 0 HB1 ALA A1017 10.158 8.354 -1.454 1.00 15.24 H new ATOM 0 HB2 ALA A1017 9.069 7.581 -2.630 1.00 15.24 H new ATOM 0 HB3 ALA A1017 8.441 8.115 -1.054 1.00 15.24 H new ATOM 2102 N LYS A1018 9.122 6.958 1.340 1.00 4.03 N ATOM 2103 CA LYS A1018 9.389 7.303 2.757 1.00 32.32 C ATOM 2104 C LYS A1018 9.680 6.037 3.601 1.00 51.24 C ATOM 2105 O LYS A1018 10.451 6.087 4.573 1.00 60.44 O ATOM 2106 CB LYS A1018 8.184 8.105 3.358 1.00 1.14 C ATOM 2107 CG LYS A1018 8.095 9.621 2.988 1.00 53.12 C ATOM 2108 CD LYS A1018 8.212 9.914 1.473 1.00 43.34 C ATOM 2109 CE LYS A1018 7.769 11.338 1.092 1.00 15.04 C ATOM 2110 NZ LYS A1018 8.520 12.387 1.830 1.00 24.23 N ATOM 0 H LYS A1018 8.160 7.136 1.053 1.00 4.03 H new ATOM 0 HA LYS A1018 10.279 7.932 2.789 1.00 32.32 H new ATOM 0 HB2 LYS A1018 7.261 7.622 3.038 1.00 1.14 H new ATOM 0 HB3 LYS A1018 8.228 8.022 4.444 1.00 1.14 H new ATOM 0 HG2 LYS A1018 7.146 10.016 3.351 1.00 53.12 H new ATOM 0 HG3 LYS A1018 8.885 10.158 3.512 1.00 53.12 H new ATOM 0 HD2 LYS A1018 9.246 9.767 1.160 1.00 43.34 H new ATOM 0 HD3 LYS A1018 7.607 9.193 0.923 1.00 43.34 H new ATOM 0 HE2 LYS A1018 7.907 11.483 0.021 1.00 15.04 H new ATOM 0 HE3 LYS A1018 6.704 11.449 1.294 1.00 15.04 H new ATOM 0 HZ1 LYS A1018 8.195 13.326 1.524 1.00 24.23 H new ATOM 0 HZ2 LYS A1018 8.355 12.279 2.851 1.00 24.23 H new ATOM 0 HZ3 LYS A1018 9.536 12.291 1.632 1.00 24.23 H new ATOM 2124 N MET A1019 9.096 4.897 3.204 1.00 50.21 N ATOM 2125 CA MET A1019 9.275 3.637 3.934 1.00 61.14 C ATOM 2126 C MET A1019 10.613 2.974 3.554 1.00 10.54 C ATOM 2127 O MET A1019 11.181 2.211 4.343 1.00 12.11 O ATOM 2128 CB MET A1019 8.078 2.665 3.740 1.00 44.32 C ATOM 2129 CG MET A1019 8.044 1.888 2.404 1.00 74.33 C ATOM 2130 SD MET A1019 7.635 0.157 2.641 1.00 5.52 S ATOM 2131 CE MET A1019 8.923 -0.299 3.784 1.00 74.23 C ATOM 0 H MET A1019 8.497 4.823 2.382 1.00 50.21 H new ATOM 0 HA MET A1019 9.304 3.878 4.997 1.00 61.14 H new ATOM 0 HB2 MET A1019 8.086 1.943 4.557 1.00 44.32 H new ATOM 0 HB3 MET A1019 7.154 3.236 3.828 1.00 44.32 H new ATOM 0 HG2 MET A1019 7.312 2.345 1.738 1.00 74.33 H new ATOM 0 HG3 MET A1019 9.015 1.967 1.914 1.00 74.33 H new ATOM 0 HE1 MET A1019 8.946 -1.383 3.893 1.00 74.23 H new ATOM 0 HE2 MET A1019 9.885 0.048 3.406 1.00 74.23 H new ATOM 0 HE3 MET A1019 8.728 0.159 4.754 1.00 74.23 H new ATOM 2141 N ALA A1020 11.104 3.263 2.326 1.00 23.45 N ATOM 2142 CA ALA A1020 12.488 2.940 1.943 1.00 31.03 C ATOM 2143 C ALA A1020 13.474 3.826 2.729 1.00 33.33 C ATOM 2144 O ALA A1020 14.587 3.401 3.043 1.00 60.41 O ATOM 2145 CB ALA A1020 12.696 3.107 0.430 1.00 43.24 C ATOM 0 H ALA A1020 10.561 3.717 1.591 1.00 23.45 H new ATOM 0 HA ALA A1020 12.679 1.896 2.191 1.00 31.03 H new ATOM 0 HB1 ALA A1020 13.727 2.862 0.175 1.00 43.24 H new ATOM 0 HB2 ALA A1020 12.021 2.439 -0.106 1.00 43.24 H new ATOM 0 HB3 ALA A1020 12.487 4.138 0.146 1.00 43.24 H new ATOM 2151 N LEU A1021 13.042 5.073 3.023 1.00 51.40 N ATOM 2152 CA LEU A1021 13.837 6.053 3.796 1.00 63.30 C ATOM 2153 C LEU A1021 13.759 5.818 5.323 1.00 64.01 C ATOM 2154 O LEU A1021 14.518 6.450 6.068 1.00 74.12 O ATOM 2155 CB LEU A1021 13.383 7.496 3.433 1.00 11.02 C ATOM 2156 CG LEU A1021 13.545 7.894 1.929 1.00 54.32 C ATOM 2157 CD1 LEU A1021 12.988 9.305 1.647 1.00 32.12 C ATOM 2158 CD2 LEU A1021 15.009 7.764 1.468 1.00 63.23 C ATOM 0 H LEU A1021 12.132 5.428 2.731 1.00 51.40 H new ATOM 0 HA LEU A1021 14.883 5.918 3.521 1.00 63.30 H new ATOM 0 HB2 LEU A1021 12.335 7.609 3.710 1.00 11.02 H new ATOM 0 HB3 LEU A1021 13.951 8.201 4.041 1.00 11.02 H new ATOM 0 HG LEU A1021 12.952 7.191 1.344 1.00 54.32 H new ATOM 0 HD11 LEU A1021 13.119 9.544 0.592 1.00 32.12 H new ATOM 0 HD12 LEU A1021 11.927 9.334 1.896 1.00 32.12 H new ATOM 0 HD13 LEU A1021 13.523 10.035 2.254 1.00 32.12 H new ATOM 0 HD21 LEU A1021 15.087 8.048 0.419 1.00 63.23 H new ATOM 0 HD22 LEU A1021 15.639 8.420 2.069 1.00 63.23 H new ATOM 0 HD23 LEU A1021 15.339 6.732 1.590 1.00 63.23 H new ATOM 2170 N LEU A1022 12.813 4.958 5.785 1.00 32.21 N ATOM 2171 CA LEU A1022 12.782 4.470 7.197 1.00 4.32 C ATOM 2172 C LEU A1022 14.167 3.916 7.641 1.00 41.23 C ATOM 2173 O LEU A1022 14.683 2.988 7.014 1.00 35.51 O ATOM 2174 CB LEU A1022 11.699 3.365 7.410 1.00 22.13 C ATOM 2175 CG LEU A1022 10.216 3.842 7.443 1.00 52.42 C ATOM 2176 CD1 LEU A1022 9.245 2.647 7.576 1.00 53.32 C ATOM 2177 CD2 LEU A1022 9.988 4.869 8.567 1.00 63.34 C ATOM 0 H LEU A1022 12.061 4.587 5.204 1.00 32.21 H new ATOM 0 HA LEU A1022 12.527 5.334 7.811 1.00 4.32 H new ATOM 0 HB2 LEU A1022 11.803 2.628 6.614 1.00 22.13 H new ATOM 0 HB3 LEU A1022 11.914 2.853 8.348 1.00 22.13 H new ATOM 0 HG LEU A1022 10.007 4.334 6.493 1.00 52.42 H new ATOM 0 HD11 LEU A1022 8.218 3.013 7.596 1.00 53.32 H new ATOM 0 HD12 LEU A1022 9.375 1.977 6.726 1.00 53.32 H new ATOM 0 HD13 LEU A1022 9.456 2.108 8.499 1.00 53.32 H new ATOM 0 HD21 LEU A1022 8.944 5.184 8.566 1.00 63.34 H new ATOM 0 HD22 LEU A1022 10.229 4.416 9.528 1.00 63.34 H new ATOM 0 HD23 LEU A1022 10.629 5.736 8.404 1.00 63.34 H new