USER MOD reduce.3.24.130724 H: found=0, std=0, add=985, rem=0, adj=30 USER MOD reduce.3.24.130724 removed 985 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 79 LYS NZ :NH3+ -125:sc= 0.657 (180deg=0.236) USER MOD Set 1.2: A 90 SER OG : rot 65:sc= 0.685 USER MOD Set 2.1: A 19 GLN :FLIP amide:sc= -0.181 F(o=-1.9,f=-0.75) USER MOD Set 2.2: A 70 GLN : amide:sc= -0.571 K(o=-0.75,f=-1.9!) USER MOD Set 3.1: A 18 SER OG : rot -85:sc= 0.83 USER MOD Set 3.2: A 40 TYR OH : rot 18:sc= 0.485 USER MOD Set 3.3: A 71 THR OG1 : rot 140:sc= -0.383 USER MOD Set 3.4: A 74 ASN : amide:sc= -1.31 X(o=-0.37,f=-0.71) USER MOD Set 4.1: A 9 ASN : amide:sc= -0.405 X(o=0.0049,f=0.25) USER MOD Set 4.2: A 12 GLN : amide:sc= 0.261 K(o=0.0049,f=-2.5!) USER MOD Set 4.3: A 67 TYR OH : rot 180:sc= 0.148 USER MOD Single : A 1 MET CE :methyl -162:sc= 0 (180deg=-0.227) USER MOD Single : A 1 MET N :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 2 THR OG1 : rot 180:sc= 0 USER MOD Single : A 3 SER OG : rot 180:sc= 0 USER MOD Single : A 4 THR OG1 : rot -147:sc= 0.358 USER MOD Single : A 20 SER OG : rot 73:sc= 0.951 USER MOD Single : A 26 GLN : amide:sc= 0 X(o=0,f=-0.49) USER MOD Single : A 35 GLN : amide:sc= -0.487 K(o=-0.49,f=-1.9) USER MOD Single : A 36 GLN : amide:sc= -0.0728 X(o=-0.073,f=-0.35) USER MOD Single : A 39 SER OG : rot 180:sc= 0 USER MOD Single : A 42 GLN : amide:sc= 0 X(o=0,f=-0.17) USER MOD Single : A 43 SER OG : rot 86:sc= 0.538 USER MOD Single : A 46 THR OG1 : rot 75:sc= 1.16 USER MOD Single : A 48 MET CE :methyl -160:sc= -0.275 (180deg=-0.934) USER MOD Single : A 50 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 51 GLN :FLIP amide:sc= 0 F(o=-0.5,f=0) USER MOD Single : A 52 THR OG1 : rot 150:sc= -0.298 USER MOD Single : A 57 THR OG1 : rot -27:sc= 1.2 USER MOD Single : A 59 SER OG : rot 180:sc= 0 USER MOD Single : A 61 GLN : amide:sc= -0.3 X(o=-0.3,f=-0.63) USER MOD Single : A 63 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 69 LYS NZ :NH3+ -113:sc= 0.776 (180deg=-0.348) USER MOD Single : A 76 GLN :FLIP amide:sc= 0 F(o=-1,f=0) USER MOD Single : A 83 GLN : amide:sc=-0.000402 X(o=-0.0004,f=0.24) USER MOD Single : A 84 GLN : amide:sc= -0.459 X(o=-0.46,f=0) USER MOD Single : A 91 SER OG : rot 180:sc= 0 USER MOD Single : A 95 GLN : amide:sc= 0 K(o=0,f=-0.53) USER MOD Single : A 96 SER OG : rot 140:sc= 0 USER MOD Single : A 97 THR OG1 : rot 180:sc= 0 USER MOD Single : A 99 GLN : amide:sc= -0.469 X(o=-0.47,f=0) USER MOD Single : A 100 LYS NZ :NH3+ 174:sc=-0.00568 (180deg=-0.0612) USER MOD Single : A 101 SER OG : rot -97:sc= 1.45 USER MOD Single : A 103 ASN : amide:sc= -0.0489 X(o=-0.049,f=0) USER MOD Single : A 104 ASN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 106 TYR OH : rot 180:sc= 0 USER MOD Single : A 110 SER OG : rot 180:sc= 0 USER MOD Single : A 112 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 122 SER OG : rot 165:sc= 0.282 USER MOD ----------------------------------------------------------------- ATOM 1 N MET A 1 1.480 2.488 21.699 1.00 1.42 N ATOM 2 CA MET A 1 2.030 2.738 20.349 1.00 64.21 C ATOM 3 C MET A 1 0.919 3.230 19.386 1.00 21.31 C ATOM 4 O MET A 1 0.759 2.704 18.280 1.00 54.32 O ATOM 5 CB MET A 1 2.762 1.461 19.807 1.00 42.12 C ATOM 6 CG MET A 1 1.882 0.215 19.567 1.00 44.45 C ATOM 7 SD MET A 1 2.792 -1.111 18.737 1.00 5.11 S ATOM 8 CE MET A 1 1.467 -2.193 18.183 1.00 32.34 C ATOM 0 H1 MET A 1 2.240 2.159 22.328 1.00 1.42 H new ATOM 0 H2 MET A 1 1.074 3.368 22.077 1.00 1.42 H new ATOM 0 H3 MET A 1 0.739 1.761 21.643 1.00 1.42 H new ATOM 0 HA MET A 1 2.773 3.533 20.413 1.00 64.21 H new ATOM 0 HB2 MET A 1 3.251 1.720 18.868 1.00 42.12 H new ATOM 0 HB3 MET A 1 3.549 1.193 20.512 1.00 42.12 H new ATOM 0 HG2 MET A 1 1.502 -0.149 20.521 1.00 44.45 H new ATOM 0 HG3 MET A 1 1.017 0.493 18.964 1.00 44.45 H new ATOM 0 HE1 MET A 1 1.874 -3.177 17.951 1.00 32.34 H new ATOM 0 HE2 MET A 1 0.719 -2.286 18.971 1.00 32.34 H new ATOM 0 HE3 MET A 1 1.003 -1.773 17.290 1.00 32.34 H new ATOM 20 N THR A 2 0.182 4.293 19.798 1.00 64.23 N ATOM 21 CA THR A 2 -0.944 4.860 19.009 1.00 21.13 C ATOM 22 C THR A 2 -0.488 5.251 17.578 1.00 73.12 C ATOM 23 O THR A 2 -1.227 5.036 16.601 1.00 11.42 O ATOM 24 CB THR A 2 -1.619 6.079 19.742 1.00 24.22 C ATOM 25 OG1 THR A 2 -2.738 6.567 18.981 1.00 1.23 O ATOM 26 CG2 THR A 2 -0.640 7.240 20.013 1.00 45.35 C ATOM 0 H THR A 2 0.349 4.779 20.679 1.00 64.23 H new ATOM 0 HA THR A 2 -1.698 4.078 18.919 1.00 21.13 H new ATOM 0 HB THR A 2 -1.956 5.704 20.708 1.00 24.22 H new ATOM 0 HG1 THR A 2 -3.148 7.323 19.450 1.00 1.23 H new ATOM 0 HG21 THR A 2 -1.166 8.049 20.520 1.00 45.35 H new ATOM 0 HG22 THR A 2 0.177 6.888 20.643 1.00 45.35 H new ATOM 0 HG23 THR A 2 -0.238 7.605 19.068 1.00 45.35 H new ATOM 34 N SER A 3 0.768 5.753 17.487 1.00 52.32 N ATOM 35 CA SER A 3 1.444 6.077 16.220 1.00 0.14 C ATOM 36 C SER A 3 1.465 4.857 15.283 1.00 4.11 C ATOM 37 O SER A 3 1.059 4.943 14.120 1.00 11.50 O ATOM 38 CB SER A 3 2.895 6.532 16.519 1.00 65.24 C ATOM 39 OG SER A 3 2.923 7.583 17.474 1.00 72.23 O ATOM 0 H SER A 3 1.343 5.945 18.308 1.00 52.32 H new ATOM 0 HA SER A 3 0.897 6.879 15.724 1.00 0.14 H new ATOM 0 HB2 SER A 3 3.474 5.686 16.890 1.00 65.24 H new ATOM 0 HB3 SER A 3 3.371 6.864 15.596 1.00 65.24 H new ATOM 0 HG SER A 3 3.852 7.847 17.643 1.00 72.23 H new ATOM 45 N THR A 4 1.909 3.714 15.840 1.00 14.53 N ATOM 46 CA THR A 4 2.055 2.456 15.102 1.00 63.40 C ATOM 47 C THR A 4 0.692 1.864 14.711 1.00 22.35 C ATOM 48 O THR A 4 0.552 1.351 13.616 1.00 34.15 O ATOM 49 CB THR A 4 2.856 1.400 15.929 1.00 24.44 C ATOM 50 OG1 THR A 4 4.078 1.981 16.405 1.00 73.32 O ATOM 51 CG2 THR A 4 3.180 0.143 15.103 1.00 54.35 C ATOM 0 H THR A 4 2.177 3.643 16.822 1.00 14.53 H new ATOM 0 HA THR A 4 2.608 2.693 14.193 1.00 63.40 H new ATOM 0 HB THR A 4 2.228 1.099 16.768 1.00 24.44 H new ATOM 0 HG1 THR A 4 4.777 1.294 16.435 1.00 73.32 H new ATOM 0 HG21 THR A 4 3.737 -0.563 15.718 1.00 54.35 H new ATOM 0 HG22 THR A 4 2.252 -0.321 14.768 1.00 54.35 H new ATOM 0 HG23 THR A 4 3.780 0.422 14.237 1.00 54.35 H new ATOM 59 N VAL A 5 -0.308 1.957 15.613 1.00 23.25 N ATOM 60 CA VAL A 5 -1.646 1.377 15.383 1.00 1.23 C ATOM 61 C VAL A 5 -2.305 2.034 14.156 1.00 22.33 C ATOM 62 O VAL A 5 -2.798 1.329 13.242 1.00 11.33 O ATOM 63 CB VAL A 5 -2.565 1.506 16.655 1.00 14.11 C ATOM 64 CG1 VAL A 5 -3.975 0.912 16.405 1.00 12.31 C ATOM 65 CG2 VAL A 5 -1.898 0.839 17.886 1.00 43.31 C ATOM 0 H VAL A 5 -0.212 2.431 16.511 1.00 23.25 H new ATOM 0 HA VAL A 5 -1.522 0.312 15.186 1.00 1.23 H new ATOM 0 HB VAL A 5 -2.689 2.569 16.863 1.00 14.11 H new ATOM 0 HG11 VAL A 5 -4.580 1.020 17.305 1.00 12.31 H new ATOM 0 HG12 VAL A 5 -4.453 1.443 15.581 1.00 12.31 H new ATOM 0 HG13 VAL A 5 -3.885 -0.144 16.152 1.00 12.31 H new ATOM 0 HG21 VAL A 5 -2.551 0.940 18.753 1.00 43.31 H new ATOM 0 HG22 VAL A 5 -1.729 -0.218 17.680 1.00 43.31 H new ATOM 0 HG23 VAL A 5 -0.944 1.325 18.091 1.00 43.31 H new ATOM 75 N GLU A 6 -2.251 3.383 14.115 1.00 33.54 N ATOM 76 CA GLU A 6 -2.735 4.152 12.959 1.00 13.33 C ATOM 77 C GLU A 6 -1.930 3.778 11.699 1.00 45.21 C ATOM 78 O GLU A 6 -2.513 3.429 10.681 1.00 14.53 O ATOM 79 CB GLU A 6 -2.656 5.680 13.227 1.00 14.43 C ATOM 80 CG GLU A 6 -3.446 6.158 14.467 1.00 4.14 C ATOM 81 CD GLU A 6 -4.913 5.677 14.487 1.00 22.30 C ATOM 82 OE1 GLU A 6 -5.739 6.218 13.718 1.00 30.01 O ATOM 83 OE2 GLU A 6 -5.247 4.750 15.265 1.00 15.23 O ATOM 0 H GLU A 6 -1.877 3.957 14.871 1.00 33.54 H new ATOM 0 HA GLU A 6 -3.782 3.899 12.795 1.00 13.33 H new ATOM 0 HB2 GLU A 6 -1.610 5.961 13.349 1.00 14.43 H new ATOM 0 HB3 GLU A 6 -3.028 6.209 12.350 1.00 14.43 H new ATOM 0 HG2 GLU A 6 -2.944 5.803 15.367 1.00 4.14 H new ATOM 0 HG3 GLU A 6 -3.429 7.247 14.501 1.00 4.14 H new ATOM 90 N PHE A 7 -0.583 3.772 11.844 1.00 44.33 N ATOM 91 CA PHE A 7 0.383 3.513 10.746 1.00 3.22 C ATOM 92 C PHE A 7 0.080 2.173 10.028 1.00 1.50 C ATOM 93 O PHE A 7 -0.058 2.153 8.802 1.00 50.13 O ATOM 94 CB PHE A 7 1.825 3.524 11.339 1.00 21.50 C ATOM 95 CG PHE A 7 2.985 3.592 10.341 1.00 60.23 C ATOM 96 CD1 PHE A 7 3.229 4.763 9.615 1.00 64.32 C ATOM 97 CD2 PHE A 7 3.870 2.516 10.172 1.00 42.12 C ATOM 98 CE1 PHE A 7 4.312 4.857 8.754 1.00 45.21 C ATOM 99 CE2 PHE A 7 4.948 2.614 9.306 1.00 3.12 C ATOM 100 CZ PHE A 7 5.168 3.784 8.598 1.00 52.32 C ATOM 0 H PHE A 7 -0.129 3.949 12.740 1.00 44.33 H new ATOM 0 HA PHE A 7 0.292 4.296 9.993 1.00 3.22 H new ATOM 0 HB2 PHE A 7 1.908 4.376 12.014 1.00 21.50 H new ATOM 0 HB3 PHE A 7 1.950 2.626 11.943 1.00 21.50 H new ATOM 0 HD1 PHE A 7 2.564 5.606 9.727 1.00 64.32 H new ATOM 0 HD2 PHE A 7 3.709 1.601 10.723 1.00 42.12 H new ATOM 0 HE1 PHE A 7 4.486 5.770 8.205 1.00 45.21 H new ATOM 0 HE2 PHE A 7 5.618 1.776 9.183 1.00 3.12 H new ATOM 0 HZ PHE A 7 6.009 3.857 7.924 1.00 52.32 H new ATOM 110 N ILE A 8 -0.089 1.082 10.820 1.00 3.14 N ATOM 111 CA ILE A 8 -0.391 -0.267 10.297 1.00 44.41 C ATOM 112 C ILE A 8 -1.753 -0.269 9.602 1.00 33.33 C ATOM 113 O ILE A 8 -1.863 -0.780 8.501 1.00 22.13 O ATOM 114 CB ILE A 8 -0.428 -1.381 11.414 1.00 72.02 C ATOM 115 CG1 ILE A 8 0.890 -1.427 12.233 1.00 62.13 C ATOM 116 CG2 ILE A 8 -0.742 -2.784 10.810 1.00 71.43 C ATOM 117 CD1 ILE A 8 0.860 -2.403 13.401 1.00 14.22 C ATOM 0 H ILE A 8 -0.019 1.118 11.837 1.00 3.14 H new ATOM 0 HA ILE A 8 0.418 -0.501 9.605 1.00 44.41 H new ATOM 0 HB ILE A 8 -1.235 -1.113 12.096 1.00 72.02 H new ATOM 0 HG12 ILE A 8 1.710 -1.698 11.568 1.00 62.13 H new ATOM 0 HG13 ILE A 8 1.105 -0.428 12.613 1.00 62.13 H new ATOM 0 HG21 ILE A 8 -0.760 -3.527 11.607 1.00 71.43 H new ATOM 0 HG22 ILE A 8 -1.713 -2.758 10.316 1.00 71.43 H new ATOM 0 HG23 ILE A 8 0.027 -3.048 10.084 1.00 71.43 H new ATOM 0 HD11 ILE A 8 1.817 -2.376 13.922 1.00 14.22 H new ATOM 0 HD12 ILE A 8 0.063 -2.122 14.090 1.00 14.22 H new ATOM 0 HD13 ILE A 8 0.678 -3.411 13.028 1.00 14.22 H new ATOM 129 N ASN A 9 -2.785 0.317 10.265 1.00 0.34 N ATOM 130 CA ASN A 9 -4.170 0.321 9.732 1.00 35.21 C ATOM 131 C ASN A 9 -4.251 1.079 8.383 1.00 33.53 C ATOM 132 O ASN A 9 -5.081 0.757 7.521 1.00 63.01 O ATOM 133 CB ASN A 9 -5.152 0.922 10.775 1.00 64.34 C ATOM 134 CG ASN A 9 -6.644 0.791 10.401 1.00 14.31 C ATOM 135 OD1 ASN A 9 -7.458 1.652 10.740 1.00 13.53 O ATOM 136 ND2 ASN A 9 -7.024 -0.292 9.724 1.00 45.15 N ATOM 0 H ASN A 9 -2.683 0.789 11.163 1.00 0.34 H new ATOM 0 HA ASN A 9 -4.464 -0.711 9.543 1.00 35.21 H new ATOM 0 HB2 ASN A 9 -4.987 0.432 11.735 1.00 64.34 H new ATOM 0 HB3 ASN A 9 -4.916 1.977 10.911 1.00 64.34 H new ATOM 0 HD21 ASN A 9 -8.005 -0.421 9.477 1.00 45.15 H new ATOM 0 HD22 ASN A 9 -6.334 -0.992 9.453 1.00 45.15 H new ATOM 143 N ARG A 10 -3.354 2.060 8.210 1.00 42.13 N ATOM 144 CA ARG A 10 -3.194 2.810 6.956 1.00 52.12 C ATOM 145 C ARG A 10 -2.520 1.932 5.881 1.00 0.10 C ATOM 146 O ARG A 10 -2.906 1.979 4.715 1.00 4.10 O ATOM 147 CB ARG A 10 -2.372 4.092 7.212 1.00 12.42 C ATOM 148 CG ARG A 10 -3.049 5.097 8.167 1.00 12.11 C ATOM 149 CD ARG A 10 -2.097 6.208 8.642 1.00 3.15 C ATOM 150 NE ARG A 10 -2.712 7.051 9.691 1.00 12.24 N ATOM 151 CZ ARG A 10 -2.101 8.059 10.334 1.00 51.25 C ATOM 152 NH1 ARG A 10 -0.845 8.403 10.048 1.00 43.41 N ATOM 153 NH2 ARG A 10 -2.753 8.737 11.273 1.00 31.32 N ATOM 0 H ARG A 10 -2.712 2.358 8.945 1.00 42.13 H new ATOM 0 HA ARG A 10 -4.179 3.095 6.587 1.00 52.12 H new ATOM 0 HB2 ARG A 10 -1.403 3.812 7.625 1.00 12.42 H new ATOM 0 HB3 ARG A 10 -2.182 4.585 6.259 1.00 12.42 H new ATOM 0 HG2 ARG A 10 -3.904 5.549 7.664 1.00 12.11 H new ATOM 0 HG3 ARG A 10 -3.436 4.562 9.034 1.00 12.11 H new ATOM 0 HD2 ARG A 10 -1.181 5.761 9.027 1.00 3.15 H new ATOM 0 HD3 ARG A 10 -1.815 6.832 7.794 1.00 3.15 H new ATOM 0 HE ARG A 10 -3.679 6.850 9.946 1.00 12.24 H new ATOM 0 HH11 ARG A 10 -0.329 7.897 9.328 1.00 43.41 H new ATOM 0 HH12 ARG A 10 -0.400 9.172 10.549 1.00 43.41 H new ATOM 0 HH21 ARG A 10 -3.716 8.491 11.504 1.00 31.32 H new ATOM 0 HH22 ARG A 10 -2.291 9.503 11.763 1.00 31.32 H new ATOM 167 N TRP A 11 -1.507 1.132 6.292 1.00 61.31 N ATOM 168 CA TRP A 11 -0.867 0.125 5.407 1.00 32.43 C ATOM 169 C TRP A 11 -1.847 -0.997 5.025 1.00 24.34 C ATOM 170 O TRP A 11 -1.728 -1.578 3.937 1.00 13.31 O ATOM 171 CB TRP A 11 0.406 -0.487 6.054 1.00 74.20 C ATOM 172 CG TRP A 11 1.602 0.425 6.018 1.00 33.32 C ATOM 173 CD1 TRP A 11 2.174 1.084 7.061 1.00 52.24 C ATOM 174 CD2 TRP A 11 2.368 0.786 4.855 1.00 71.32 C ATOM 175 NE1 TRP A 11 3.241 1.819 6.623 1.00 12.41 N ATOM 176 CE2 TRP A 11 3.385 1.653 5.280 1.00 33.41 C ATOM 177 CE3 TRP A 11 2.293 0.452 3.501 1.00 22.33 C ATOM 178 CZ2 TRP A 11 4.322 2.194 4.410 1.00 31.44 C ATOM 179 CZ3 TRP A 11 3.220 0.993 2.636 1.00 21.02 C ATOM 180 CH2 TRP A 11 4.226 1.856 3.093 1.00 32.45 C ATOM 0 H TRP A 11 -1.114 1.164 7.233 1.00 61.31 H new ATOM 0 HA TRP A 11 -0.572 0.654 4.501 1.00 32.43 H new ATOM 0 HB2 TRP A 11 0.188 -0.744 7.090 1.00 74.20 H new ATOM 0 HB3 TRP A 11 0.653 -1.416 5.540 1.00 74.20 H new ATOM 0 HD1 TRP A 11 1.835 1.034 8.085 1.00 52.24 H new ATOM 0 HE1 TRP A 11 3.837 2.401 7.212 1.00 12.41 H new ATOM 0 HE3 TRP A 11 1.525 -0.216 3.139 1.00 22.33 H new ATOM 0 HZ2 TRP A 11 5.097 2.857 4.763 1.00 31.44 H new ATOM 0 HZ3 TRP A 11 3.170 0.747 1.586 1.00 21.02 H new ATOM 0 HH2 TRP A 11 4.938 2.260 2.389 1.00 32.45 H new ATOM 191 N GLN A 12 -2.813 -1.295 5.930 1.00 12.34 N ATOM 192 CA GLN A 12 -3.895 -2.239 5.638 1.00 4.25 C ATOM 193 C GLN A 12 -4.747 -1.641 4.528 1.00 22.24 C ATOM 194 O GLN A 12 -5.033 -2.307 3.558 1.00 60.43 O ATOM 195 CB GLN A 12 -4.793 -2.547 6.875 1.00 44.44 C ATOM 196 CG GLN A 12 -4.050 -3.070 8.113 1.00 1.11 C ATOM 197 CD GLN A 12 -4.980 -3.651 9.173 1.00 72.31 C ATOM 198 OE1 GLN A 12 -5.505 -2.927 10.021 1.00 34.24 O ATOM 199 NE2 GLN A 12 -5.171 -4.966 9.154 1.00 53.24 N ATOM 0 H GLN A 12 -2.855 -0.889 6.865 1.00 12.34 H new ATOM 0 HA GLN A 12 -3.446 -3.187 5.341 1.00 4.25 H new ATOM 0 HB2 GLN A 12 -5.328 -1.638 7.150 1.00 44.44 H new ATOM 0 HB3 GLN A 12 -5.543 -3.283 6.584 1.00 44.44 H new ATOM 0 HG2 GLN A 12 -3.338 -3.836 7.805 1.00 1.11 H new ATOM 0 HG3 GLN A 12 -3.473 -2.257 8.552 1.00 1.11 H new ATOM 0 HE21 GLN A 12 -4.721 -5.536 8.438 1.00 53.24 H new ATOM 0 HE22 GLN A 12 -5.767 -5.405 9.856 1.00 53.24 H new ATOM 208 N ARG A 13 -5.082 -0.342 4.678 1.00 32.54 N ATOM 209 CA ARG A 13 -5.903 0.391 3.705 1.00 23.54 C ATOM 210 C ARG A 13 -5.247 0.413 2.304 1.00 34.54 C ATOM 211 O ARG A 13 -5.935 0.225 1.321 1.00 21.25 O ATOM 212 CB ARG A 13 -6.190 1.836 4.193 1.00 52.42 C ATOM 213 CG ARG A 13 -7.234 2.589 3.336 1.00 62.22 C ATOM 214 CD ARG A 13 -7.497 4.019 3.819 1.00 42.32 C ATOM 215 NE ARG A 13 -8.667 4.640 3.158 1.00 63.30 N ATOM 216 CZ ARG A 13 -8.908 5.963 3.103 1.00 42.20 C ATOM 217 NH1 ARG A 13 -8.064 6.830 3.652 1.00 32.54 N ATOM 218 NH2 ARG A 13 -10.014 6.419 2.537 1.00 22.21 N ATOM 0 H ARG A 13 -4.790 0.222 5.476 1.00 32.54 H new ATOM 0 HA ARG A 13 -6.851 -0.140 3.620 1.00 23.54 H new ATOM 0 HB2 ARG A 13 -6.540 1.798 5.225 1.00 52.42 H new ATOM 0 HB3 ARG A 13 -5.258 2.401 4.193 1.00 52.42 H new ATOM 0 HG2 ARG A 13 -6.891 2.620 2.302 1.00 62.22 H new ATOM 0 HG3 ARG A 13 -8.171 2.032 3.345 1.00 62.22 H new ATOM 0 HD2 ARG A 13 -7.656 4.010 4.897 1.00 42.32 H new ATOM 0 HD3 ARG A 13 -6.613 4.629 3.632 1.00 42.32 H new ATOM 0 HE ARG A 13 -9.341 4.019 2.711 1.00 63.30 H new ATOM 0 HH11 ARG A 13 -7.223 6.495 4.122 1.00 32.54 H new ATOM 0 HH12 ARG A 13 -8.257 7.830 3.604 1.00 32.54 H new ATOM 0 HH21 ARG A 13 -10.690 5.767 2.139 1.00 22.21 H new ATOM 0 HH22 ARG A 13 -10.191 7.423 2.499 1.00 22.21 H new ATOM 232 N ILE A 14 -3.913 0.612 2.233 1.00 71.31 N ATOM 233 CA ILE A 14 -3.160 0.623 0.949 1.00 43.31 C ATOM 234 C ILE A 14 -3.226 -0.774 0.281 1.00 4.21 C ATOM 235 O ILE A 14 -3.586 -0.901 -0.903 1.00 31.41 O ATOM 236 CB ILE A 14 -1.653 1.050 1.177 1.00 35.22 C ATOM 237 CG1 ILE A 14 -1.575 2.467 1.839 1.00 14.30 C ATOM 238 CG2 ILE A 14 -0.837 1.014 -0.141 1.00 42.55 C ATOM 239 CD1 ILE A 14 -0.187 2.878 2.316 1.00 23.30 C ATOM 0 H ILE A 14 -3.327 0.769 3.053 1.00 71.31 H new ATOM 0 HA ILE A 14 -3.623 1.356 0.289 1.00 43.31 H new ATOM 0 HB ILE A 14 -1.206 0.323 1.856 1.00 35.22 H new ATOM 0 HG12 ILE A 14 -1.930 3.207 1.122 1.00 14.30 H new ATOM 0 HG13 ILE A 14 -2.257 2.493 2.689 1.00 14.30 H new ATOM 0 HG21 ILE A 14 0.192 1.314 0.060 1.00 42.55 H new ATOM 0 HG22 ILE A 14 -0.847 0.003 -0.548 1.00 42.55 H new ATOM 0 HG23 ILE A 14 -1.281 1.700 -0.863 1.00 42.55 H new ATOM 0 HD11 ILE A 14 -0.234 3.873 2.759 1.00 23.30 H new ATOM 0 HD12 ILE A 14 0.168 2.165 3.061 1.00 23.30 H new ATOM 0 HD13 ILE A 14 0.500 2.890 1.470 1.00 23.30 H new ATOM 251 N ALA A 15 -2.908 -1.807 1.092 1.00 24.12 N ATOM 252 CA ALA A 15 -2.923 -3.228 0.687 1.00 23.15 C ATOM 253 C ALA A 15 -4.312 -3.657 0.163 1.00 74.30 C ATOM 254 O ALA A 15 -4.438 -4.238 -0.920 1.00 11.42 O ATOM 255 CB ALA A 15 -2.519 -4.098 1.894 1.00 61.13 C ATOM 0 H ALA A 15 -2.629 -1.673 2.064 1.00 24.12 H new ATOM 0 HA ALA A 15 -2.212 -3.364 -0.128 1.00 23.15 H new ATOM 0 HB1 ALA A 15 -2.527 -5.149 1.604 1.00 61.13 H new ATOM 0 HB2 ALA A 15 -1.518 -3.820 2.224 1.00 61.13 H new ATOM 0 HB3 ALA A 15 -3.226 -3.941 2.709 1.00 61.13 H new ATOM 261 N LEU A 16 -5.339 -3.269 0.927 1.00 22.30 N ATOM 262 CA LEU A 16 -6.738 -3.699 0.729 1.00 25.44 C ATOM 263 C LEU A 16 -7.419 -2.895 -0.391 1.00 54.21 C ATOM 264 O LEU A 16 -8.253 -3.445 -1.109 1.00 12.12 O ATOM 265 CB LEU A 16 -7.549 -3.579 2.057 1.00 51.42 C ATOM 266 CG LEU A 16 -7.145 -4.552 3.216 1.00 72.23 C ATOM 267 CD1 LEU A 16 -7.984 -4.292 4.486 1.00 43.41 C ATOM 268 CD2 LEU A 16 -7.236 -6.025 2.774 1.00 3.33 C ATOM 0 H LEU A 16 -5.224 -2.635 1.717 1.00 22.30 H new ATOM 0 HA LEU A 16 -6.720 -4.746 0.427 1.00 25.44 H new ATOM 0 HB2 LEU A 16 -7.455 -2.556 2.422 1.00 51.42 H new ATOM 0 HB3 LEU A 16 -8.603 -3.740 1.829 1.00 51.42 H new ATOM 0 HG LEU A 16 -6.103 -4.350 3.464 1.00 72.23 H new ATOM 0 HD11 LEU A 16 -7.679 -4.984 5.271 1.00 43.41 H new ATOM 0 HD12 LEU A 16 -7.826 -3.268 4.823 1.00 43.41 H new ATOM 0 HD13 LEU A 16 -9.040 -4.441 4.261 1.00 43.41 H new ATOM 0 HD21 LEU A 16 -6.949 -6.672 3.603 1.00 3.33 H new ATOM 0 HD22 LEU A 16 -8.259 -6.252 2.474 1.00 3.33 H new ATOM 0 HD23 LEU A 16 -6.565 -6.194 1.932 1.00 3.33 H new ATOM 280 N LEU A 17 -7.062 -1.594 -0.531 1.00 2.34 N ATOM 281 CA LEU A 17 -7.608 -0.733 -1.605 1.00 2.23 C ATOM 282 C LEU A 17 -7.095 -1.212 -2.955 1.00 43.40 C ATOM 283 O LEU A 17 -7.889 -1.416 -3.849 1.00 32.11 O ATOM 284 CB LEU A 17 -7.295 0.791 -1.414 1.00 4.52 C ATOM 285 CG LEU A 17 -8.198 1.566 -0.402 1.00 73.43 C ATOM 286 CD1 LEU A 17 -7.815 3.063 -0.348 1.00 63.11 C ATOM 287 CD2 LEU A 17 -9.694 1.381 -0.737 1.00 71.32 C ATOM 0 H LEU A 17 -6.401 -1.121 0.085 1.00 2.34 H new ATOM 0 HA LEU A 17 -8.693 -0.824 -1.557 1.00 2.23 H new ATOM 0 HB2 LEU A 17 -6.259 0.889 -1.091 1.00 4.52 H new ATOM 0 HB3 LEU A 17 -7.373 1.280 -2.385 1.00 4.52 H new ATOM 0 HG LEU A 17 -8.027 1.145 0.589 1.00 73.43 H new ATOM 0 HD11 LEU A 17 -8.460 3.578 0.364 1.00 63.11 H new ATOM 0 HD12 LEU A 17 -6.776 3.162 -0.034 1.00 63.11 H new ATOM 0 HD13 LEU A 17 -7.939 3.506 -1.336 1.00 63.11 H new ATOM 0 HD21 LEU A 17 -10.299 1.931 -0.016 1.00 71.32 H new ATOM 0 HD22 LEU A 17 -9.892 1.759 -1.740 1.00 71.32 H new ATOM 0 HD23 LEU A 17 -9.949 0.322 -0.691 1.00 71.32 H new ATOM 299 N SER A 18 -5.767 -1.423 -3.075 1.00 52.32 N ATOM 300 CA SER A 18 -5.144 -1.917 -4.321 1.00 52.02 C ATOM 301 C SER A 18 -5.662 -3.326 -4.679 1.00 24.05 C ATOM 302 O SER A 18 -5.841 -3.639 -5.861 1.00 51.13 O ATOM 303 CB SER A 18 -3.625 -1.944 -4.173 1.00 51.03 C ATOM 304 OG SER A 18 -3.248 -2.819 -3.122 1.00 64.42 O ATOM 0 H SER A 18 -5.102 -1.258 -2.319 1.00 52.32 H new ATOM 0 HA SER A 18 -5.415 -1.237 -5.128 1.00 52.02 H new ATOM 0 HB2 SER A 18 -3.168 -2.269 -5.107 1.00 51.03 H new ATOM 0 HB3 SER A 18 -3.255 -0.939 -3.969 1.00 51.03 H new ATOM 0 HG SER A 18 -3.282 -2.339 -2.268 1.00 64.42 H new ATOM 310 N GLN A 19 -5.869 -4.168 -3.634 1.00 5.35 N ATOM 311 CA GLN A 19 -6.515 -5.486 -3.767 1.00 72.12 C ATOM 312 C GLN A 19 -7.912 -5.331 -4.392 1.00 22.04 C ATOM 313 O GLN A 19 -8.247 -6.031 -5.344 1.00 44.33 O ATOM 314 CB GLN A 19 -6.605 -6.178 -2.375 1.00 14.52 C ATOM 315 CG GLN A 19 -7.352 -7.535 -2.347 1.00 53.14 C ATOM 316 CD GLN A 19 -6.721 -8.604 -3.246 1.00 11.23 C ATOM 317 OE1 GLN A 19 -5.786 -9.362 -2.700 1.00 74.12 O flip ATOM 318 NE2 GLN A 19 -7.070 -8.745 -4.420 1.00 4.24 N flip ATOM 0 H GLN A 19 -5.590 -3.946 -2.678 1.00 5.35 H new ATOM 0 HA GLN A 19 -5.914 -6.113 -4.425 1.00 72.12 H new ATOM 0 HB2 GLN A 19 -5.593 -6.333 -2.001 1.00 14.52 H new ATOM 0 HB3 GLN A 19 -7.100 -5.497 -1.682 1.00 14.52 H new ATOM 0 HG2 GLN A 19 -7.378 -7.904 -1.322 1.00 53.14 H new ATOM 0 HG3 GLN A 19 -8.385 -7.377 -2.655 1.00 53.14 H new ATOM 0 HE21 GLN A 19 -7.795 -8.144 -4.812 1.00 4.24 H new ATOM 0 HE22 GLN A 19 -6.634 -9.463 -4.999 1.00 4.24 H new ATOM 327 N SER A 20 -8.686 -4.363 -3.868 1.00 15.14 N ATOM 328 CA SER A 20 -10.035 -4.067 -4.359 1.00 61.31 C ATOM 329 C SER A 20 -9.983 -3.526 -5.798 1.00 24.14 C ATOM 330 O SER A 20 -10.755 -3.961 -6.627 1.00 73.53 O ATOM 331 CB SER A 20 -10.750 -3.063 -3.427 1.00 34.41 C ATOM 332 OG SER A 20 -10.892 -3.596 -2.119 1.00 75.43 O ATOM 0 H SER A 20 -8.390 -3.768 -3.094 1.00 15.14 H new ATOM 0 HA SER A 20 -10.606 -4.996 -4.362 1.00 61.31 H new ATOM 0 HB2 SER A 20 -10.183 -2.133 -3.385 1.00 34.41 H new ATOM 0 HB3 SER A 20 -11.732 -2.820 -3.833 1.00 34.41 H new ATOM 0 HG SER A 20 -10.019 -3.608 -1.674 1.00 75.43 H new ATOM 338 N LEU A 21 -9.014 -2.632 -6.089 1.00 35.53 N ATOM 339 CA LEU A 21 -8.863 -1.994 -7.411 1.00 53.33 C ATOM 340 C LEU A 21 -8.546 -3.062 -8.475 1.00 31.34 C ATOM 341 O LEU A 21 -9.000 -2.960 -9.615 1.00 10.44 O ATOM 342 CB LEU A 21 -7.748 -0.899 -7.396 1.00 44.23 C ATOM 343 CG LEU A 21 -7.943 0.309 -6.426 1.00 24.14 C ATOM 344 CD1 LEU A 21 -6.771 1.307 -6.522 1.00 32.43 C ATOM 345 CD2 LEU A 21 -9.298 1.007 -6.641 1.00 44.23 C ATOM 0 H LEU A 21 -8.313 -2.333 -5.411 1.00 35.53 H new ATOM 0 HA LEU A 21 -9.805 -1.504 -7.659 1.00 53.33 H new ATOM 0 HB2 LEU A 21 -6.804 -1.383 -7.147 1.00 44.23 H new ATOM 0 HB3 LEU A 21 -7.647 -0.506 -8.408 1.00 44.23 H new ATOM 0 HG LEU A 21 -7.949 -0.093 -5.413 1.00 24.14 H new ATOM 0 HD11 LEU A 21 -6.941 2.135 -5.833 1.00 32.43 H new ATOM 0 HD12 LEU A 21 -5.841 0.802 -6.261 1.00 32.43 H new ATOM 0 HD13 LEU A 21 -6.702 1.690 -7.540 1.00 32.43 H new ATOM 0 HD21 LEU A 21 -9.392 1.841 -5.946 1.00 44.23 H new ATOM 0 HD22 LEU A 21 -9.358 1.379 -7.664 1.00 44.23 H new ATOM 0 HD23 LEU A 21 -10.105 0.296 -6.466 1.00 44.23 H new ATOM 357 N LEU A 22 -7.790 -4.102 -8.058 1.00 73.42 N ATOM 358 CA LEU A 22 -7.457 -5.257 -8.907 1.00 73.43 C ATOM 359 C LEU A 22 -8.725 -6.070 -9.215 1.00 53.35 C ATOM 360 O LEU A 22 -9.059 -6.279 -10.387 1.00 13.24 O ATOM 361 CB LEU A 22 -6.383 -6.140 -8.218 1.00 33.44 C ATOM 362 CG LEU A 22 -5.928 -7.408 -9.011 1.00 53.33 C ATOM 363 CD1 LEU A 22 -5.339 -7.033 -10.389 1.00 53.32 C ATOM 364 CD2 LEU A 22 -4.937 -8.257 -8.184 1.00 5.34 C ATOM 0 H LEU A 22 -7.395 -4.160 -7.119 1.00 73.42 H new ATOM 0 HA LEU A 22 -7.045 -4.897 -9.850 1.00 73.43 H new ATOM 0 HB2 LEU A 22 -5.505 -5.524 -8.022 1.00 33.44 H new ATOM 0 HB3 LEU A 22 -6.770 -6.460 -7.251 1.00 33.44 H new ATOM 0 HG LEU A 22 -6.813 -8.018 -9.193 1.00 53.33 H new ATOM 0 HD11 LEU A 22 -5.033 -7.939 -10.913 1.00 53.32 H new ATOM 0 HD12 LEU A 22 -6.094 -6.511 -10.977 1.00 53.32 H new ATOM 0 HD13 LEU A 22 -4.474 -6.384 -10.251 1.00 53.32 H new ATOM 0 HD21 LEU A 22 -4.638 -9.132 -8.761 1.00 5.34 H new ATOM 0 HD22 LEU A 22 -4.056 -7.660 -7.947 1.00 5.34 H new ATOM 0 HD23 LEU A 22 -5.417 -8.579 -7.260 1.00 5.34 H new ATOM 376 N GLU A 23 -9.434 -6.480 -8.138 1.00 24.22 N ATOM 377 CA GLU A 23 -10.702 -7.238 -8.213 1.00 23.10 C ATOM 378 C GLU A 23 -11.710 -6.557 -9.158 1.00 21.14 C ATOM 379 O GLU A 23 -12.193 -7.157 -10.109 1.00 60.13 O ATOM 380 CB GLU A 23 -11.315 -7.349 -6.788 1.00 62.45 C ATOM 381 CG GLU A 23 -10.499 -8.195 -5.786 1.00 30.41 C ATOM 382 CD GLU A 23 -10.657 -9.712 -5.985 1.00 11.41 C ATOM 383 OE1 GLU A 23 -11.542 -10.317 -5.325 1.00 14.40 O ATOM 384 OE2 GLU A 23 -9.920 -10.312 -6.801 1.00 71.34 O ATOM 0 H GLU A 23 -9.137 -6.291 -7.181 1.00 24.22 H new ATOM 0 HA GLU A 23 -10.487 -8.230 -8.610 1.00 23.10 H new ATOM 0 HB2 GLU A 23 -11.432 -6.345 -6.381 1.00 62.45 H new ATOM 0 HB3 GLU A 23 -12.314 -7.777 -6.872 1.00 62.45 H new ATOM 0 HG2 GLU A 23 -9.445 -7.933 -5.877 1.00 30.41 H new ATOM 0 HG3 GLU A 23 -10.805 -7.937 -4.772 1.00 30.41 H new ATOM 391 N LEU A 24 -11.938 -5.267 -8.903 1.00 25.21 N ATOM 392 CA LEU A 24 -12.954 -4.453 -9.575 1.00 35.14 C ATOM 393 C LEU A 24 -12.568 -4.185 -11.041 1.00 34.31 C ATOM 394 O LEU A 24 -13.436 -4.132 -11.902 1.00 74.02 O ATOM 395 CB LEU A 24 -13.147 -3.136 -8.785 1.00 0.31 C ATOM 396 CG LEU A 24 -13.627 -3.306 -7.310 1.00 34.24 C ATOM 397 CD1 LEU A 24 -13.514 -1.989 -6.516 1.00 13.41 C ATOM 398 CD2 LEU A 24 -15.045 -3.898 -7.246 1.00 62.35 C ATOM 0 H LEU A 24 -11.407 -4.746 -8.205 1.00 25.21 H new ATOM 0 HA LEU A 24 -13.900 -4.995 -9.594 1.00 35.14 H new ATOM 0 HB2 LEU A 24 -12.202 -2.592 -8.782 1.00 0.31 H new ATOM 0 HB3 LEU A 24 -13.870 -2.516 -9.316 1.00 0.31 H new ATOM 0 HG LEU A 24 -12.958 -4.020 -6.830 1.00 34.24 H new ATOM 0 HD11 LEU A 24 -13.858 -2.150 -5.494 1.00 13.41 H new ATOM 0 HD12 LEU A 24 -12.475 -1.661 -6.502 1.00 13.41 H new ATOM 0 HD13 LEU A 24 -14.130 -1.224 -6.990 1.00 13.41 H new ATOM 0 HD21 LEU A 24 -15.349 -4.003 -6.204 1.00 62.35 H new ATOM 0 HD22 LEU A 24 -15.740 -3.235 -7.761 1.00 62.35 H new ATOM 0 HD23 LEU A 24 -15.053 -4.876 -7.727 1.00 62.35 H new ATOM 410 N ALA A 25 -11.254 -4.035 -11.312 1.00 12.12 N ATOM 411 CA ALA A 25 -10.734 -3.908 -12.691 1.00 12.03 C ATOM 412 C ALA A 25 -11.072 -5.164 -13.517 1.00 3.01 C ATOM 413 O ALA A 25 -11.523 -5.067 -14.667 1.00 34.13 O ATOM 414 CB ALA A 25 -9.215 -3.680 -12.677 1.00 13.10 C ATOM 0 H ALA A 25 -10.532 -3.999 -10.592 1.00 12.12 H new ATOM 0 HA ALA A 25 -11.213 -3.046 -13.155 1.00 12.03 H new ATOM 0 HB1 ALA A 25 -8.851 -3.589 -13.700 1.00 13.10 H new ATOM 0 HB2 ALA A 25 -8.989 -2.765 -12.129 1.00 13.10 H new ATOM 0 HB3 ALA A 25 -8.725 -4.524 -12.191 1.00 13.10 H new ATOM 420 N GLN A 26 -10.871 -6.338 -12.888 1.00 33.43 N ATOM 421 CA GLN A 26 -11.154 -7.649 -13.500 1.00 51.44 C ATOM 422 C GLN A 26 -12.676 -7.879 -13.672 1.00 55.24 C ATOM 423 O GLN A 26 -13.108 -8.548 -14.616 1.00 23.20 O ATOM 424 CB GLN A 26 -10.530 -8.781 -12.633 1.00 11.54 C ATOM 425 CG GLN A 26 -8.997 -8.675 -12.465 1.00 10.33 C ATOM 426 CD GLN A 26 -8.400 -9.732 -11.529 1.00 5.12 C ATOM 427 OE1 GLN A 26 -9.054 -10.212 -10.602 1.00 54.41 O ATOM 428 NE2 GLN A 26 -7.143 -10.085 -11.753 1.00 44.33 N ATOM 0 H GLN A 26 -10.506 -6.403 -11.938 1.00 33.43 H new ATOM 0 HA GLN A 26 -10.705 -7.665 -14.493 1.00 51.44 H new ATOM 0 HB2 GLN A 26 -10.995 -8.767 -11.647 1.00 11.54 H new ATOM 0 HB3 GLN A 26 -10.770 -9.744 -13.084 1.00 11.54 H new ATOM 0 HG2 GLN A 26 -8.527 -8.764 -13.444 1.00 10.33 H new ATOM 0 HG3 GLN A 26 -8.751 -7.684 -12.082 1.00 10.33 H new ATOM 0 HE21 GLN A 26 -6.627 -9.670 -12.529 1.00 44.33 H new ATOM 0 HE22 GLN A 26 -6.691 -10.772 -11.150 1.00 44.33 H new ATOM 437 N ARG A 27 -13.474 -7.311 -12.747 1.00 2.10 N ATOM 438 CA ARG A 27 -14.949 -7.463 -12.726 1.00 71.24 C ATOM 439 C ARG A 27 -15.666 -6.354 -13.535 1.00 0.21 C ATOM 440 O ARG A 27 -16.895 -6.374 -13.644 1.00 65.04 O ATOM 441 CB ARG A 27 -15.441 -7.502 -11.245 1.00 62.55 C ATOM 442 CG ARG A 27 -14.848 -8.685 -10.443 1.00 42.42 C ATOM 443 CD ARG A 27 -15.215 -8.691 -8.947 1.00 4.52 C ATOM 444 NE ARG A 27 -14.459 -9.743 -8.242 1.00 0.32 N ATOM 445 CZ ARG A 27 -14.829 -10.371 -7.119 1.00 42.02 C ATOM 446 NH1 ARG A 27 -15.975 -10.077 -6.505 1.00 65.31 N ATOM 447 NH2 ARG A 27 -14.028 -11.292 -6.610 1.00 24.40 N ATOM 0 H ARG A 27 -13.116 -6.731 -11.989 1.00 2.10 H new ATOM 0 HA ARG A 27 -15.205 -8.403 -13.214 1.00 71.24 H new ATOM 0 HB2 ARG A 27 -15.173 -6.566 -10.754 1.00 62.55 H new ATOM 0 HB3 ARG A 27 -16.529 -7.569 -11.231 1.00 62.55 H new ATOM 0 HG2 ARG A 27 -15.189 -9.618 -10.891 1.00 42.42 H new ATOM 0 HG3 ARG A 27 -13.762 -8.664 -10.538 1.00 42.42 H new ATOM 0 HD2 ARG A 27 -14.995 -7.718 -8.507 1.00 4.52 H new ATOM 0 HD3 ARG A 27 -16.285 -8.860 -8.828 1.00 4.52 H new ATOM 0 HE ARG A 27 -13.566 -10.019 -8.650 1.00 0.32 H new ATOM 0 HH11 ARG A 27 -16.591 -9.360 -6.890 1.00 65.31 H new ATOM 0 HH12 ARG A 27 -16.236 -10.569 -5.650 1.00 65.31 H new ATOM 0 HH21 ARG A 27 -13.146 -11.513 -7.072 1.00 24.40 H new ATOM 0 HH22 ARG A 27 -14.292 -11.782 -5.755 1.00 24.40 H new ATOM 461 N GLY A 28 -14.895 -5.393 -14.091 1.00 64.12 N ATOM 462 CA GLY A 28 -15.444 -4.343 -14.977 1.00 60.52 C ATOM 463 C GLY A 28 -16.002 -3.123 -14.242 1.00 74.11 C ATOM 464 O GLY A 28 -16.655 -2.270 -14.852 1.00 13.11 O ATOM 0 H GLY A 28 -13.888 -5.323 -13.941 1.00 64.12 H new ATOM 0 HA2 GLY A 28 -14.660 -4.014 -15.659 1.00 60.52 H new ATOM 0 HA3 GLY A 28 -16.236 -4.777 -15.588 1.00 60.52 H new ATOM 468 N GLU A 29 -15.744 -3.053 -12.932 1.00 63.43 N ATOM 469 CA GLU A 29 -16.159 -1.943 -12.049 1.00 61.22 C ATOM 470 C GLU A 29 -15.072 -0.841 -11.989 1.00 44.13 C ATOM 471 O GLU A 29 -14.626 -0.439 -10.901 1.00 30.21 O ATOM 472 CB GLU A 29 -16.433 -2.521 -10.635 1.00 71.44 C ATOM 473 CG GLU A 29 -17.502 -3.624 -10.575 1.00 31.45 C ATOM 474 CD GLU A 29 -18.931 -3.099 -10.795 1.00 45.20 C ATOM 475 OE1 GLU A 29 -19.447 -3.182 -11.927 1.00 34.34 O ATOM 476 OE2 GLU A 29 -19.533 -2.577 -9.832 1.00 2.30 O ATOM 0 H GLU A 29 -15.228 -3.782 -12.438 1.00 63.43 H new ATOM 0 HA GLU A 29 -17.063 -1.481 -12.444 1.00 61.22 H new ATOM 0 HB2 GLU A 29 -15.500 -2.919 -10.236 1.00 71.44 H new ATOM 0 HB3 GLU A 29 -16.738 -1.705 -9.979 1.00 71.44 H new ATOM 0 HG2 GLU A 29 -17.279 -4.378 -11.330 1.00 31.45 H new ATOM 0 HG3 GLU A 29 -17.449 -4.119 -9.605 1.00 31.45 H new ATOM 483 N TRP A 30 -14.684 -0.332 -13.174 1.00 12.04 N ATOM 484 CA TRP A 30 -13.661 0.742 -13.322 1.00 1.12 C ATOM 485 C TRP A 30 -14.115 2.054 -12.653 1.00 23.40 C ATOM 486 O TRP A 30 -13.293 2.900 -12.282 1.00 3.42 O ATOM 487 CB TRP A 30 -13.359 0.992 -14.823 1.00 71.04 C ATOM 488 CG TRP A 30 -12.857 -0.237 -15.545 1.00 53.03 C ATOM 489 CD1 TRP A 30 -13.597 -1.143 -16.254 1.00 12.52 C ATOM 490 CD2 TRP A 30 -11.501 -0.700 -15.601 1.00 52.45 C ATOM 491 NE1 TRP A 30 -12.787 -2.136 -16.741 1.00 21.23 N ATOM 492 CE2 TRP A 30 -11.496 -1.885 -16.358 1.00 63.24 C ATOM 493 CE3 TRP A 30 -10.290 -0.221 -15.086 1.00 13.31 C ATOM 494 CZ2 TRP A 30 -10.330 -2.597 -16.612 1.00 52.52 C ATOM 495 CZ3 TRP A 30 -9.134 -0.933 -15.334 1.00 64.43 C ATOM 496 CH2 TRP A 30 -9.161 -2.108 -16.093 1.00 63.41 C ATOM 0 H TRP A 30 -15.068 -0.650 -14.064 1.00 12.04 H new ATOM 0 HA TRP A 30 -12.754 0.405 -12.821 1.00 1.12 H new ATOM 0 HB2 TRP A 30 -14.264 1.349 -15.314 1.00 71.04 H new ATOM 0 HB3 TRP A 30 -12.616 1.785 -14.910 1.00 71.04 H new ATOM 0 HD1 TRP A 30 -14.664 -1.085 -16.408 1.00 12.52 H new ATOM 0 HE1 TRP A 30 -13.096 -2.933 -17.298 1.00 21.23 H new ATOM 0 HE3 TRP A 30 -10.261 0.689 -14.505 1.00 13.31 H new ATOM 0 HZ2 TRP A 30 -10.345 -3.504 -17.198 1.00 52.52 H new ATOM 0 HZ3 TRP A 30 -8.195 -0.578 -14.936 1.00 64.43 H new ATOM 0 HH2 TRP A 30 -8.239 -2.641 -16.274 1.00 63.41 H new ATOM 507 N ASP A 31 -15.442 2.184 -12.511 1.00 34.45 N ATOM 508 CA ASP A 31 -16.112 3.296 -11.815 1.00 3.32 C ATOM 509 C ASP A 31 -15.578 3.421 -10.377 1.00 41.24 C ATOM 510 O ASP A 31 -15.184 4.507 -9.921 1.00 13.04 O ATOM 511 CB ASP A 31 -17.649 3.033 -11.774 1.00 44.01 C ATOM 512 CG ASP A 31 -18.222 2.597 -13.136 1.00 45.20 C ATOM 513 OD1 ASP A 31 -18.689 3.454 -13.914 1.00 51.43 O ATOM 514 OD2 ASP A 31 -18.171 1.382 -13.446 1.00 41.42 O ATOM 0 H ASP A 31 -16.099 1.500 -12.887 1.00 34.45 H new ATOM 0 HA ASP A 31 -15.910 4.223 -12.352 1.00 3.32 H new ATOM 0 HB2 ASP A 31 -17.860 2.262 -11.033 1.00 44.01 H new ATOM 0 HB3 ASP A 31 -18.158 3.939 -11.445 1.00 44.01 H new ATOM 519 N LEU A 32 -15.528 2.262 -9.704 1.00 34.22 N ATOM 520 CA LEU A 32 -15.097 2.149 -8.309 1.00 41.42 C ATOM 521 C LEU A 32 -13.572 2.354 -8.184 1.00 33.11 C ATOM 522 O LEU A 32 -13.095 2.746 -7.121 1.00 13.42 O ATOM 523 CB LEU A 32 -15.530 0.775 -7.731 1.00 42.52 C ATOM 524 CG LEU A 32 -17.058 0.444 -7.785 1.00 0.54 C ATOM 525 CD1 LEU A 32 -17.344 -0.957 -7.214 1.00 35.22 C ATOM 526 CD2 LEU A 32 -17.901 1.517 -7.066 1.00 53.40 C ATOM 0 H LEU A 32 -15.789 1.368 -10.121 1.00 34.22 H new ATOM 0 HA LEU A 32 -15.580 2.935 -7.728 1.00 41.42 H new ATOM 0 HB2 LEU A 32 -14.993 -0.006 -8.269 1.00 42.52 H new ATOM 0 HB3 LEU A 32 -15.207 0.725 -6.691 1.00 42.52 H new ATOM 0 HG LEU A 32 -17.352 0.447 -8.834 1.00 0.54 H new ATOM 0 HD11 LEU A 32 -18.414 -1.159 -7.265 1.00 35.22 H new ATOM 0 HD12 LEU A 32 -16.806 -1.704 -7.797 1.00 35.22 H new ATOM 0 HD13 LEU A 32 -17.015 -1.001 -6.176 1.00 35.22 H new ATOM 0 HD21 LEU A 32 -18.956 1.251 -7.126 1.00 53.40 H new ATOM 0 HD22 LEU A 32 -17.600 1.575 -6.020 1.00 53.40 H new ATOM 0 HD23 LEU A 32 -17.743 2.484 -7.544 1.00 53.40 H new ATOM 538 N LEU A 33 -12.811 2.095 -9.285 1.00 40.42 N ATOM 539 CA LEU A 33 -11.370 2.434 -9.347 1.00 64.34 C ATOM 540 C LEU A 33 -11.185 3.955 -9.317 1.00 54.12 C ATOM 541 O LEU A 33 -10.342 4.453 -8.586 1.00 1.53 O ATOM 542 CB LEU A 33 -10.635 1.839 -10.600 1.00 73.23 C ATOM 543 CG LEU A 33 -10.166 0.353 -10.486 1.00 51.45 C ATOM 544 CD1 LEU A 33 -11.347 -0.619 -10.528 1.00 44.02 C ATOM 545 CD2 LEU A 33 -9.104 0.005 -11.554 1.00 12.43 C ATOM 0 H LEU A 33 -13.173 1.656 -10.132 1.00 40.42 H new ATOM 0 HA LEU A 33 -10.913 1.976 -8.470 1.00 64.34 H new ATOM 0 HB2 LEU A 33 -11.301 1.923 -11.459 1.00 73.23 H new ATOM 0 HB3 LEU A 33 -9.763 2.458 -10.811 1.00 73.23 H new ATOM 0 HG LEU A 33 -9.692 0.241 -9.511 1.00 51.45 H new ATOM 0 HD11 LEU A 33 -10.979 -1.642 -10.446 1.00 44.02 H new ATOM 0 HD12 LEU A 33 -12.021 -0.408 -9.698 1.00 44.02 H new ATOM 0 HD13 LEU A 33 -11.883 -0.500 -11.470 1.00 44.02 H new ATOM 0 HD21 LEU A 33 -8.803 -1.037 -11.442 1.00 12.43 H new ATOM 0 HD22 LEU A 33 -9.525 0.156 -12.548 1.00 12.43 H new ATOM 0 HD23 LEU A 33 -8.234 0.650 -11.426 1.00 12.43 H new ATOM 557 N LEU A 34 -11.998 4.674 -10.116 1.00 1.53 N ATOM 558 CA LEU A 34 -11.932 6.150 -10.228 1.00 4.04 C ATOM 559 C LEU A 34 -12.320 6.843 -8.904 1.00 62.31 C ATOM 560 O LEU A 34 -11.720 7.853 -8.525 1.00 4.11 O ATOM 561 CB LEU A 34 -12.849 6.642 -11.376 1.00 70.12 C ATOM 562 CG LEU A 34 -12.526 6.073 -12.790 1.00 11.12 C ATOM 563 CD1 LEU A 34 -13.540 6.569 -13.840 1.00 72.41 C ATOM 564 CD2 LEU A 34 -11.076 6.397 -13.206 1.00 50.51 C ATOM 0 H LEU A 34 -12.718 4.252 -10.702 1.00 1.53 H new ATOM 0 HA LEU A 34 -10.899 6.417 -10.452 1.00 4.04 H new ATOM 0 HB2 LEU A 34 -13.879 6.386 -11.128 1.00 70.12 H new ATOM 0 HB3 LEU A 34 -12.793 7.730 -11.421 1.00 70.12 H new ATOM 0 HG LEU A 34 -12.616 4.988 -12.738 1.00 11.12 H new ATOM 0 HD11 LEU A 34 -13.286 6.154 -14.815 1.00 72.41 H new ATOM 0 HD12 LEU A 34 -14.542 6.247 -13.558 1.00 72.41 H new ATOM 0 HD13 LEU A 34 -13.509 7.657 -13.890 1.00 72.41 H new ATOM 0 HD21 LEU A 34 -10.881 5.987 -14.197 1.00 50.51 H new ATOM 0 HD22 LEU A 34 -10.936 7.478 -13.227 1.00 50.51 H new ATOM 0 HD23 LEU A 34 -10.384 5.956 -12.488 1.00 50.51 H new ATOM 576 N GLN A 35 -13.327 6.288 -8.212 1.00 41.12 N ATOM 577 CA GLN A 35 -13.798 6.829 -6.920 1.00 45.23 C ATOM 578 C GLN A 35 -12.756 6.570 -5.807 1.00 74.50 C ATOM 579 O GLN A 35 -12.352 7.498 -5.097 1.00 41.54 O ATOM 580 CB GLN A 35 -15.173 6.209 -6.569 1.00 62.43 C ATOM 581 CG GLN A 35 -16.271 6.500 -7.617 1.00 64.24 C ATOM 582 CD GLN A 35 -17.590 5.762 -7.369 1.00 22.44 C ATOM 583 OE1 GLN A 35 -17.615 4.687 -6.780 1.00 14.31 O ATOM 584 NE2 GLN A 35 -18.693 6.319 -7.849 1.00 43.35 N ATOM 0 H GLN A 35 -13.835 5.461 -8.525 1.00 41.12 H new ATOM 0 HA GLN A 35 -13.919 7.909 -7.003 1.00 45.23 H new ATOM 0 HB2 GLN A 35 -15.059 5.130 -6.465 1.00 62.43 H new ATOM 0 HB3 GLN A 35 -15.497 6.590 -5.601 1.00 62.43 H new ATOM 0 HG2 GLN A 35 -16.466 7.572 -7.634 1.00 64.24 H new ATOM 0 HG3 GLN A 35 -15.896 6.228 -8.604 1.00 64.24 H new ATOM 0 HE21 GLN A 35 -18.642 7.214 -8.335 1.00 43.35 H new ATOM 0 HE22 GLN A 35 -19.592 5.852 -7.732 1.00 43.35 H new ATOM 593 N GLN A 36 -12.289 5.313 -5.700 1.00 43.41 N ATOM 594 CA GLN A 36 -11.277 4.908 -4.695 1.00 12.32 C ATOM 595 C GLN A 36 -9.861 5.413 -5.047 1.00 2.12 C ATOM 596 O GLN A 36 -8.971 5.347 -4.200 1.00 53.32 O ATOM 597 CB GLN A 36 -11.270 3.366 -4.495 1.00 1.20 C ATOM 598 CG GLN A 36 -12.552 2.795 -3.850 1.00 42.42 C ATOM 599 CD GLN A 36 -12.847 3.362 -2.452 1.00 14.33 C ATOM 600 OE1 GLN A 36 -11.941 3.724 -1.700 1.00 1.31 O ATOM 601 NE2 GLN A 36 -14.117 3.422 -2.081 1.00 12.31 N ATOM 0 H GLN A 36 -12.598 4.550 -6.302 1.00 43.41 H new ATOM 0 HA GLN A 36 -11.566 5.381 -3.756 1.00 12.32 H new ATOM 0 HB2 GLN A 36 -11.122 2.888 -5.463 1.00 1.20 H new ATOM 0 HB3 GLN A 36 -10.416 3.097 -3.873 1.00 1.20 H new ATOM 0 HG2 GLN A 36 -13.400 3.003 -4.503 1.00 42.42 H new ATOM 0 HG3 GLN A 36 -12.461 1.711 -3.781 1.00 42.42 H new ATOM 0 HE21 GLN A 36 -14.850 3.117 -2.721 1.00 12.31 H new ATOM 0 HE22 GLN A 36 -14.362 3.774 -1.155 1.00 12.31 H new ATOM 610 N GLU A 37 -9.663 5.870 -6.307 1.00 44.21 N ATOM 611 CA GLU A 37 -8.387 6.458 -6.784 1.00 22.41 C ATOM 612 C GLU A 37 -7.904 7.579 -5.849 1.00 3.12 C ATOM 613 O GLU A 37 -6.772 7.533 -5.371 1.00 21.41 O ATOM 614 CB GLU A 37 -8.553 7.013 -8.228 1.00 43.04 C ATOM 615 CG GLU A 37 -7.294 7.679 -8.819 1.00 21.44 C ATOM 616 CD GLU A 37 -7.497 8.219 -10.248 1.00 4.43 C ATOM 617 OE1 GLU A 37 -7.178 7.512 -11.225 1.00 73.42 O ATOM 618 OE2 GLU A 37 -7.975 9.364 -10.399 1.00 24.02 O ATOM 0 H GLU A 37 -10.387 5.841 -7.025 1.00 44.21 H new ATOM 0 HA GLU A 37 -7.638 5.666 -6.786 1.00 22.41 H new ATOM 0 HB2 GLU A 37 -8.855 6.195 -8.883 1.00 43.04 H new ATOM 0 HB3 GLU A 37 -9.365 7.740 -8.231 1.00 43.04 H new ATOM 0 HG2 GLU A 37 -6.988 8.499 -8.169 1.00 21.44 H new ATOM 0 HG3 GLU A 37 -6.479 6.955 -8.825 1.00 21.44 H new ATOM 625 N VAL A 38 -8.802 8.551 -5.569 1.00 5.11 N ATOM 626 CA VAL A 38 -8.501 9.712 -4.712 1.00 51.12 C ATOM 627 C VAL A 38 -8.020 9.252 -3.323 1.00 30.00 C ATOM 628 O VAL A 38 -6.983 9.702 -2.836 1.00 14.12 O ATOM 629 CB VAL A 38 -9.749 10.666 -4.552 1.00 71.21 C ATOM 630 CG1 VAL A 38 -9.423 11.883 -3.649 1.00 21.14 C ATOM 631 CG2 VAL A 38 -10.276 11.127 -5.932 1.00 71.53 C ATOM 0 H VAL A 38 -9.755 8.549 -5.933 1.00 5.11 H new ATOM 0 HA VAL A 38 -7.706 10.273 -5.203 1.00 51.12 H new ATOM 0 HB VAL A 38 -10.537 10.094 -4.062 1.00 71.21 H new ATOM 0 HG11 VAL A 38 -10.305 12.518 -3.561 1.00 21.14 H new ATOM 0 HG12 VAL A 38 -9.128 11.533 -2.660 1.00 21.14 H new ATOM 0 HG13 VAL A 38 -8.607 12.455 -4.090 1.00 21.14 H new ATOM 0 HG21 VAL A 38 -11.135 11.783 -5.793 1.00 71.53 H new ATOM 0 HG22 VAL A 38 -9.490 11.666 -6.460 1.00 71.53 H new ATOM 0 HG23 VAL A 38 -10.575 10.257 -6.517 1.00 71.53 H new ATOM 641 N SER A 39 -8.770 8.306 -2.737 1.00 74.42 N ATOM 642 CA SER A 39 -8.501 7.776 -1.394 1.00 25.23 C ATOM 643 C SER A 39 -7.188 6.976 -1.348 1.00 75.55 C ATOM 644 O SER A 39 -6.448 7.059 -0.372 1.00 71.23 O ATOM 645 CB SER A 39 -9.685 6.906 -0.938 1.00 75.34 C ATOM 646 OG SER A 39 -10.890 7.648 -0.987 1.00 1.13 O ATOM 0 H SER A 39 -9.584 7.886 -3.185 1.00 74.42 H new ATOM 0 HA SER A 39 -8.386 8.618 -0.711 1.00 25.23 H new ATOM 0 HB2 SER A 39 -9.766 6.027 -1.577 1.00 75.34 H new ATOM 0 HB3 SER A 39 -9.512 6.548 0.077 1.00 75.34 H new ATOM 0 HG SER A 39 -11.635 7.082 -0.696 1.00 1.13 H new ATOM 652 N TYR A 40 -6.899 6.233 -2.430 1.00 3.02 N ATOM 653 CA TYR A 40 -5.719 5.361 -2.517 1.00 60.54 C ATOM 654 C TYR A 40 -4.434 6.197 -2.623 1.00 51.55 C ATOM 655 O TYR A 40 -3.497 5.972 -1.857 1.00 54.43 O ATOM 656 CB TYR A 40 -5.864 4.394 -3.723 1.00 32.22 C ATOM 657 CG TYR A 40 -4.663 3.468 -3.965 1.00 11.12 C ATOM 658 CD1 TYR A 40 -4.220 2.582 -2.976 1.00 72.14 C ATOM 659 CD2 TYR A 40 -3.984 3.467 -5.188 1.00 51.21 C ATOM 660 CE1 TYR A 40 -3.151 1.737 -3.202 1.00 33.00 C ATOM 661 CE2 TYR A 40 -2.916 2.626 -5.414 1.00 22.35 C ATOM 662 CZ TYR A 40 -2.500 1.767 -4.421 1.00 3.32 C ATOM 663 OH TYR A 40 -1.439 0.920 -4.654 1.00 55.33 O ATOM 0 H TYR A 40 -7.479 6.221 -3.269 1.00 3.02 H new ATOM 0 HA TYR A 40 -5.650 4.766 -1.607 1.00 60.54 H new ATOM 0 HB2 TYR A 40 -6.752 3.780 -3.571 1.00 32.22 H new ATOM 0 HB3 TYR A 40 -6.035 4.984 -4.623 1.00 32.22 H new ATOM 0 HD1 TYR A 40 -4.722 2.559 -2.020 1.00 72.14 H new ATOM 0 HD2 TYR A 40 -4.303 4.139 -5.971 1.00 51.21 H new ATOM 0 HE1 TYR A 40 -2.825 1.056 -2.430 1.00 33.00 H new ATOM 0 HE2 TYR A 40 -2.407 2.640 -6.366 1.00 22.35 H new ATOM 0 HH TYR A 40 -1.454 0.189 -4.001 1.00 55.33 H new ATOM 673 N LEU A 41 -4.428 7.179 -3.552 1.00 21.15 N ATOM 674 CA LEU A 41 -3.247 8.024 -3.826 1.00 70.51 C ATOM 675 C LEU A 41 -2.961 8.948 -2.618 1.00 23.31 C ATOM 676 O LEU A 41 -1.801 9.115 -2.216 1.00 0.22 O ATOM 677 CB LEU A 41 -3.426 8.861 -5.131 1.00 13.24 C ATOM 678 CG LEU A 41 -3.852 8.083 -6.426 1.00 74.13 C ATOM 679 CD1 LEU A 41 -3.761 8.978 -7.685 1.00 51.53 C ATOM 680 CD2 LEU A 41 -3.066 6.767 -6.608 1.00 52.35 C ATOM 0 H LEU A 41 -5.238 7.406 -4.129 1.00 21.15 H new ATOM 0 HA LEU A 41 -2.392 7.365 -3.978 1.00 70.51 H new ATOM 0 HB2 LEU A 41 -4.172 9.632 -4.939 1.00 13.24 H new ATOM 0 HB3 LEU A 41 -2.485 9.372 -5.337 1.00 13.24 H new ATOM 0 HG LEU A 41 -4.898 7.807 -6.293 1.00 74.13 H new ATOM 0 HD11 LEU A 41 -4.064 8.405 -8.561 1.00 51.53 H new ATOM 0 HD12 LEU A 41 -4.420 9.838 -7.568 1.00 51.53 H new ATOM 0 HD13 LEU A 41 -2.735 9.322 -7.813 1.00 51.53 H new ATOM 0 HD21 LEU A 41 -3.398 6.268 -7.518 1.00 52.35 H new ATOM 0 HD22 LEU A 41 -2.001 6.987 -6.683 1.00 52.35 H new ATOM 0 HD23 LEU A 41 -3.243 6.116 -5.752 1.00 52.35 H new ATOM 692 N GLN A 42 -4.052 9.516 -2.042 1.00 42.42 N ATOM 693 CA GLN A 42 -3.989 10.359 -0.831 1.00 24.44 C ATOM 694 C GLN A 42 -3.346 9.593 0.333 1.00 63.32 C ATOM 695 O GLN A 42 -2.348 10.056 0.898 1.00 34.04 O ATOM 696 CB GLN A 42 -5.410 10.845 -0.426 1.00 14.40 C ATOM 697 CG GLN A 42 -5.495 11.535 0.956 1.00 24.32 C ATOM 698 CD GLN A 42 -6.919 11.924 1.366 1.00 61.30 C ATOM 699 OE1 GLN A 42 -7.750 12.286 0.536 1.00 70.54 O ATOM 700 NE2 GLN A 42 -7.212 11.826 2.656 1.00 10.41 N ATOM 0 H GLN A 42 -4.997 9.399 -2.408 1.00 42.42 H new ATOM 0 HA GLN A 42 -3.372 11.228 -1.059 1.00 24.44 H new ATOM 0 HB2 GLN A 42 -5.770 11.539 -1.185 1.00 14.40 H new ATOM 0 HB3 GLN A 42 -6.085 9.989 -0.430 1.00 14.40 H new ATOM 0 HG2 GLN A 42 -5.079 10.868 1.711 1.00 24.32 H new ATOM 0 HG3 GLN A 42 -4.873 12.430 0.944 1.00 24.32 H new ATOM 0 HE21 GLN A 42 -6.499 11.522 3.319 1.00 10.41 H new ATOM 0 HE22 GLN A 42 -8.150 12.054 2.985 1.00 10.41 H new ATOM 709 N SER A 43 -3.927 8.418 0.665 1.00 73.10 N ATOM 710 CA SER A 43 -3.466 7.591 1.786 1.00 53.42 C ATOM 711 C SER A 43 -1.994 7.219 1.613 1.00 34.24 C ATOM 712 O SER A 43 -1.172 7.597 2.446 1.00 45.24 O ATOM 713 CB SER A 43 -4.333 6.321 1.943 1.00 42.42 C ATOM 714 OG SER A 43 -5.668 6.659 2.287 1.00 74.21 O ATOM 0 H SER A 43 -4.723 8.025 0.163 1.00 73.10 H new ATOM 0 HA SER A 43 -3.570 8.180 2.697 1.00 53.42 H new ATOM 0 HB2 SER A 43 -4.326 5.753 1.013 1.00 42.42 H new ATOM 0 HB3 SER A 43 -3.907 5.677 2.713 1.00 42.42 H new ATOM 0 HG SER A 43 -6.180 6.841 1.471 1.00 74.21 H new ATOM 720 N ILE A 44 -1.665 6.571 0.470 1.00 34.13 N ATOM 721 CA ILE A 44 -0.329 6.001 0.236 1.00 63.40 C ATOM 722 C ILE A 44 0.768 7.087 0.310 1.00 50.03 C ATOM 723 O ILE A 44 1.812 6.857 0.929 1.00 63.25 O ATOM 724 CB ILE A 44 -0.244 5.190 -1.119 1.00 4.31 C ATOM 725 CG1 ILE A 44 1.065 4.342 -1.174 1.00 51.20 C ATOM 726 CG2 ILE A 44 -0.359 6.101 -2.363 1.00 32.43 C ATOM 727 CD1 ILE A 44 1.198 3.457 -2.400 1.00 3.02 C ATOM 0 H ILE A 44 -2.315 6.433 -0.304 1.00 34.13 H new ATOM 0 HA ILE A 44 -0.150 5.287 1.040 1.00 63.40 H new ATOM 0 HB ILE A 44 -1.101 4.516 -1.140 1.00 4.31 H new ATOM 0 HG12 ILE A 44 1.920 5.017 -1.135 1.00 51.20 H new ATOM 0 HG13 ILE A 44 1.113 3.715 -0.284 1.00 51.20 H new ATOM 0 HG21 ILE A 44 -0.295 5.494 -3.266 1.00 32.43 H new ATOM 0 HG22 ILE A 44 -1.316 6.623 -2.344 1.00 32.43 H new ATOM 0 HG23 ILE A 44 0.452 6.829 -2.357 1.00 32.43 H new ATOM 0 HD11 ILE A 44 2.137 2.906 -2.351 1.00 3.02 H new ATOM 0 HD12 ILE A 44 0.366 2.753 -2.433 1.00 3.02 H new ATOM 0 HD13 ILE A 44 1.186 4.075 -3.298 1.00 3.02 H new ATOM 739 N GLU A 45 0.492 8.288 -0.261 1.00 12.13 N ATOM 740 CA GLU A 45 1.425 9.421 -0.187 1.00 44.54 C ATOM 741 C GLU A 45 1.620 9.892 1.259 1.00 4.11 C ATOM 742 O GLU A 45 2.758 10.054 1.693 1.00 1.41 O ATOM 743 CB GLU A 45 0.983 10.605 -1.099 1.00 32.01 C ATOM 744 CG GLU A 45 1.452 10.481 -2.561 1.00 71.44 C ATOM 745 CD GLU A 45 2.986 10.301 -2.713 1.00 71.22 C ATOM 746 OE1 GLU A 45 3.756 10.961 -1.981 1.00 41.45 O ATOM 747 OE2 GLU A 45 3.426 9.515 -3.571 1.00 50.14 O ATOM 0 H GLU A 45 -0.367 8.487 -0.773 1.00 12.13 H new ATOM 0 HA GLU A 45 2.384 9.062 -0.560 1.00 44.54 H new ATOM 0 HB2 GLU A 45 -0.105 10.676 -1.082 1.00 32.01 H new ATOM 0 HB3 GLU A 45 1.370 11.535 -0.682 1.00 32.01 H new ATOM 0 HG2 GLU A 45 0.948 9.632 -3.024 1.00 71.44 H new ATOM 0 HG3 GLU A 45 1.144 11.372 -3.109 1.00 71.44 H new ATOM 754 N THR A 46 0.508 10.071 2.002 1.00 55.35 N ATOM 755 CA THR A 46 0.550 10.579 3.390 1.00 3.14 C ATOM 756 C THR A 46 1.239 9.576 4.351 1.00 52.42 C ATOM 757 O THR A 46 1.821 9.989 5.346 1.00 73.51 O ATOM 758 CB THR A 46 -0.884 10.937 3.922 1.00 60.14 C ATOM 759 OG1 THR A 46 -1.564 11.752 2.955 1.00 61.11 O ATOM 760 CG2 THR A 46 -0.850 11.704 5.269 1.00 72.13 C ATOM 0 H THR A 46 -0.433 9.871 1.663 1.00 55.35 H new ATOM 0 HA THR A 46 1.145 11.492 3.366 1.00 3.14 H new ATOM 0 HB THR A 46 -1.405 9.994 4.084 1.00 60.14 H new ATOM 0 HG1 THR A 46 -1.859 11.193 2.206 1.00 61.11 H new ATOM 0 HG21 THR A 46 -1.869 11.925 5.588 1.00 72.13 H new ATOM 0 HG22 THR A 46 -0.358 11.091 6.024 1.00 72.13 H new ATOM 0 HG23 THR A 46 -0.299 12.636 5.143 1.00 72.13 H new ATOM 768 N VAL A 47 1.182 8.263 4.029 1.00 40.15 N ATOM 769 CA VAL A 47 1.782 7.190 4.865 1.00 54.13 C ATOM 770 C VAL A 47 3.300 7.077 4.598 1.00 72.02 C ATOM 771 O VAL A 47 4.090 6.867 5.531 1.00 2.32 O ATOM 772 CB VAL A 47 1.065 5.806 4.637 1.00 40.53 C ATOM 773 CG1 VAL A 47 1.669 4.687 5.520 1.00 10.51 C ATOM 774 CG2 VAL A 47 -0.452 5.929 4.897 1.00 32.31 C ATOM 0 H VAL A 47 0.722 7.916 3.187 1.00 40.15 H new ATOM 0 HA VAL A 47 1.635 7.463 5.910 1.00 54.13 H new ATOM 0 HB VAL A 47 1.227 5.528 3.595 1.00 40.53 H new ATOM 0 HG11 VAL A 47 1.144 3.751 5.330 1.00 10.51 H new ATOM 0 HG12 VAL A 47 2.726 4.566 5.281 1.00 10.51 H new ATOM 0 HG13 VAL A 47 1.563 4.956 6.571 1.00 10.51 H new ATOM 0 HG21 VAL A 47 -0.929 4.962 4.734 1.00 32.31 H new ATOM 0 HG22 VAL A 47 -0.620 6.248 5.926 1.00 32.31 H new ATOM 0 HG23 VAL A 47 -0.880 6.664 4.215 1.00 32.31 H new ATOM 784 N MET A 48 3.700 7.239 3.318 1.00 30.31 N ATOM 785 CA MET A 48 5.132 7.312 2.926 1.00 11.11 C ATOM 786 C MET A 48 5.741 8.672 3.354 1.00 54.01 C ATOM 787 O MET A 48 6.959 8.803 3.488 1.00 52.33 O ATOM 788 CB MET A 48 5.299 7.090 1.393 1.00 54.12 C ATOM 789 CG MET A 48 4.802 5.728 0.880 1.00 62.45 C ATOM 790 SD MET A 48 5.073 5.487 -0.895 1.00 40.44 S ATOM 791 CE MET A 48 4.117 6.820 -1.634 1.00 41.44 C ATOM 0 H MET A 48 3.053 7.322 2.534 1.00 30.31 H new ATOM 0 HA MET A 48 5.670 6.516 3.442 1.00 11.11 H new ATOM 0 HB2 MET A 48 4.763 7.879 0.865 1.00 54.12 H new ATOM 0 HB3 MET A 48 6.353 7.196 1.138 1.00 54.12 H new ATOM 0 HG2 MET A 48 5.309 4.934 1.429 1.00 62.45 H new ATOM 0 HG3 MET A 48 3.737 5.634 1.094 1.00 62.45 H new ATOM 0 HE1 MET A 48 3.908 6.583 -2.677 1.00 41.44 H new ATOM 0 HE2 MET A 48 3.178 6.937 -1.094 1.00 41.44 H new ATOM 0 HE3 MET A 48 4.685 7.749 -1.579 1.00 41.44 H new ATOM 801 N GLU A 49 4.864 9.674 3.550 1.00 73.20 N ATOM 802 CA GLU A 49 5.230 11.013 4.066 1.00 44.44 C ATOM 803 C GLU A 49 5.186 11.019 5.610 1.00 70.01 C ATOM 804 O GLU A 49 5.774 11.894 6.256 1.00 53.23 O ATOM 805 CB GLU A 49 4.252 12.078 3.483 1.00 62.03 C ATOM 806 CG GLU A 49 4.545 13.550 3.854 1.00 71.25 C ATOM 807 CD GLU A 49 5.932 14.042 3.394 1.00 5.04 C ATOM 808 OE1 GLU A 49 6.769 14.425 4.246 1.00 1.43 O ATOM 809 OE2 GLU A 49 6.196 14.047 2.169 1.00 72.21 O ATOM 0 H GLU A 49 3.868 9.579 3.353 1.00 73.20 H new ATOM 0 HA GLU A 49 6.246 11.257 3.754 1.00 44.44 H new ATOM 0 HB2 GLU A 49 4.259 11.991 2.397 1.00 62.03 H new ATOM 0 HB3 GLU A 49 3.243 11.835 3.816 1.00 62.03 H new ATOM 0 HG2 GLU A 49 3.779 14.186 3.411 1.00 71.25 H new ATOM 0 HG3 GLU A 49 4.469 13.665 4.935 1.00 71.25 H new ATOM 816 N LYS A 50 4.485 10.031 6.197 1.00 23.24 N ATOM 817 CA LYS A 50 4.352 9.910 7.656 1.00 34.34 C ATOM 818 C LYS A 50 5.633 9.305 8.231 1.00 3.40 C ATOM 819 O LYS A 50 6.210 8.375 7.648 1.00 13.12 O ATOM 820 CB LYS A 50 3.115 9.052 8.053 1.00 12.42 C ATOM 821 CG LYS A 50 2.694 9.169 9.539 1.00 12.45 C ATOM 822 CD LYS A 50 2.314 10.621 9.943 1.00 21.14 C ATOM 823 CE LYS A 50 1.116 11.183 9.146 1.00 62.51 C ATOM 824 NZ LYS A 50 0.837 12.601 9.490 1.00 64.50 N ATOM 0 H LYS A 50 3.999 9.301 5.676 1.00 23.24 H new ATOM 0 HA LYS A 50 4.198 10.906 8.072 1.00 34.34 H new ATOM 0 HB2 LYS A 50 2.272 9.344 7.427 1.00 12.42 H new ATOM 0 HB3 LYS A 50 3.329 8.006 7.832 1.00 12.42 H new ATOM 0 HG2 LYS A 50 1.845 8.511 9.725 1.00 12.45 H new ATOM 0 HG3 LYS A 50 3.511 8.822 10.172 1.00 12.45 H new ATOM 0 HD2 LYS A 50 2.077 10.645 11.007 1.00 21.14 H new ATOM 0 HD3 LYS A 50 3.177 11.270 9.794 1.00 21.14 H new ATOM 0 HE2 LYS A 50 1.320 11.102 8.078 1.00 62.51 H new ATOM 0 HE3 LYS A 50 0.231 10.580 9.348 1.00 62.51 H new ATOM 0 HZ1 LYS A 50 0.026 12.940 8.934 1.00 64.50 H new ATOM 0 HZ2 LYS A 50 0.617 12.675 10.504 1.00 64.50 H new ATOM 0 HZ3 LYS A 50 1.672 13.182 9.274 1.00 64.50 H new ATOM 838 N GLN A 51 6.065 9.853 9.368 1.00 65.31 N ATOM 839 CA GLN A 51 7.289 9.443 10.043 1.00 31.31 C ATOM 840 C GLN A 51 7.115 8.022 10.607 1.00 1.14 C ATOM 841 O GLN A 51 6.138 7.754 11.324 1.00 63.21 O ATOM 842 CB GLN A 51 7.632 10.454 11.165 1.00 23.44 C ATOM 843 CG GLN A 51 8.990 10.210 11.850 1.00 71.31 C ATOM 844 CD GLN A 51 9.390 11.261 12.894 1.00 23.40 C ATOM 845 OE1 GLN A 51 8.991 12.518 12.706 1.00 62.14 O flip ATOM 846 NE2 GLN A 51 10.087 10.949 13.862 1.00 40.11 N flip ATOM 0 H GLN A 51 5.566 10.602 9.848 1.00 65.31 H new ATOM 0 HA GLN A 51 8.116 9.431 9.333 1.00 31.31 H new ATOM 0 HB2 GLN A 51 7.627 11.460 10.745 1.00 23.44 H new ATOM 0 HB3 GLN A 51 6.847 10.420 11.920 1.00 23.44 H new ATOM 0 HG2 GLN A 51 8.966 9.233 12.332 1.00 71.31 H new ATOM 0 HG3 GLN A 51 9.764 10.169 11.084 1.00 71.31 H new ATOM 0 HE21 GLN A 51 10.382 9.981 13.987 1.00 40.11 H new ATOM 0 HE22 GLN A 51 10.369 11.659 14.538 1.00 40.11 H new ATOM 855 N THR A 52 8.033 7.121 10.226 1.00 33.31 N ATOM 856 CA THR A 52 8.044 5.728 10.684 1.00 73.21 C ATOM 857 C THR A 52 8.207 5.661 12.229 1.00 0.11 C ATOM 858 O THR A 52 9.190 6.200 12.758 1.00 44.32 O ATOM 859 CB THR A 52 9.209 4.943 9.990 1.00 43.15 C ATOM 860 OG1 THR A 52 9.134 5.103 8.562 1.00 60.13 O ATOM 861 CG2 THR A 52 9.183 3.448 10.325 1.00 63.31 C ATOM 0 H THR A 52 8.795 7.343 9.585 1.00 33.31 H new ATOM 0 HA THR A 52 7.093 5.269 10.414 1.00 73.21 H new ATOM 0 HB THR A 52 10.142 5.360 10.370 1.00 43.15 H new ATOM 0 HG1 THR A 52 10.035 5.056 8.180 1.00 60.13 H new ATOM 0 HG21 THR A 52 10.010 2.948 9.821 1.00 63.31 H new ATOM 0 HG22 THR A 52 9.281 3.315 11.402 1.00 63.31 H new ATOM 0 HG23 THR A 52 8.239 3.017 9.991 1.00 63.31 H new ATOM 869 N PRO A 53 7.236 5.035 12.976 1.00 62.12 N ATOM 870 CA PRO A 53 7.352 4.860 14.449 1.00 65.23 C ATOM 871 C PRO A 53 8.503 3.883 14.825 1.00 13.21 C ATOM 872 O PRO A 53 8.895 3.048 13.997 1.00 40.43 O ATOM 873 CB PRO A 53 5.955 4.299 14.846 1.00 31.42 C ATOM 874 CG PRO A 53 5.450 3.626 13.606 1.00 62.13 C ATOM 875 CD PRO A 53 5.957 4.472 12.461 1.00 3.43 C ATOM 0 HA PRO A 53 7.602 5.783 14.972 1.00 65.23 H new ATOM 0 HB2 PRO A 53 6.032 3.596 15.675 1.00 31.42 H new ATOM 0 HB3 PRO A 53 5.284 5.096 15.165 1.00 31.42 H new ATOM 0 HG2 PRO A 53 5.821 2.603 13.534 1.00 62.13 H new ATOM 0 HG3 PRO A 53 4.361 3.571 13.603 1.00 62.13 H new ATOM 0 HD2 PRO A 53 6.115 3.876 11.562 1.00 3.43 H new ATOM 0 HD3 PRO A 53 5.249 5.259 12.201 1.00 3.43 H new ATOM 883 N PRO A 54 9.076 3.981 16.072 1.00 0.41 N ATOM 884 CA PRO A 54 10.139 3.059 16.531 1.00 5.23 C ATOM 885 C PRO A 54 9.612 1.623 16.704 1.00 44.42 C ATOM 886 O PRO A 54 10.168 0.683 16.131 1.00 34.50 O ATOM 887 CB PRO A 54 10.608 3.667 17.890 1.00 12.04 C ATOM 888 CG PRO A 54 10.042 5.059 17.907 1.00 75.32 C ATOM 889 CD PRO A 54 8.758 4.988 17.115 1.00 22.12 C ATOM 0 HA PRO A 54 10.953 2.974 15.811 1.00 5.23 H new ATOM 0 HB2 PRO A 54 10.241 3.081 18.733 1.00 12.04 H new ATOM 0 HB3 PRO A 54 11.696 3.682 17.962 1.00 12.04 H new ATOM 0 HG2 PRO A 54 9.855 5.393 18.928 1.00 75.32 H new ATOM 0 HG3 PRO A 54 10.738 5.770 17.462 1.00 75.32 H new ATOM 0 HD2 PRO A 54 7.916 4.678 17.734 1.00 22.12 H new ATOM 0 HD3 PRO A 54 8.496 5.953 16.681 1.00 22.12 H new ATOM 897 N GLY A 55 8.516 1.494 17.479 1.00 63.24 N ATOM 898 CA GLY A 55 7.935 0.199 17.828 1.00 12.50 C ATOM 899 C GLY A 55 7.272 -0.494 16.641 1.00 12.54 C ATOM 900 O GLY A 55 6.075 -0.324 16.404 1.00 54.13 O ATOM 0 H GLY A 55 8.015 2.289 17.876 1.00 63.24 H new ATOM 0 HA2 GLY A 55 8.715 -0.447 18.230 1.00 12.50 H new ATOM 0 HA3 GLY A 55 7.198 0.338 18.619 1.00 12.50 H new ATOM 904 N ILE A 56 8.075 -1.245 15.882 1.00 12.01 N ATOM 905 CA ILE A 56 7.627 -2.057 14.737 1.00 63.11 C ATOM 906 C ILE A 56 7.867 -3.547 15.054 1.00 44.41 C ATOM 907 O ILE A 56 7.002 -4.382 14.925 1.00 22.32 O ATOM 908 CB ILE A 56 8.415 -1.652 13.435 1.00 54.00 C ATOM 909 CG1 ILE A 56 8.243 -0.139 13.115 1.00 23.10 C ATOM 910 CG2 ILE A 56 8.008 -2.508 12.216 1.00 73.01 C ATOM 911 CD1 ILE A 56 9.077 0.345 11.942 1.00 73.21 C ATOM 0 H ILE A 56 9.079 -1.310 16.047 1.00 12.01 H new ATOM 0 HA ILE A 56 6.565 -1.882 14.565 1.00 63.11 H new ATOM 0 HB ILE A 56 9.468 -1.846 13.638 1.00 54.00 H new ATOM 0 HG12 ILE A 56 7.192 0.060 12.906 1.00 23.10 H new ATOM 0 HG13 ILE A 56 8.508 0.441 13.999 1.00 23.10 H new ATOM 0 HG21 ILE A 56 8.578 -2.192 11.343 1.00 73.01 H new ATOM 0 HG22 ILE A 56 8.215 -3.558 12.423 1.00 73.01 H new ATOM 0 HG23 ILE A 56 6.943 -2.380 12.020 1.00 73.01 H new ATOM 0 HD11 ILE A 56 8.900 1.409 11.784 1.00 73.21 H new ATOM 0 HD12 ILE A 56 10.133 0.180 12.154 1.00 73.21 H new ATOM 0 HD13 ILE A 56 8.797 -0.206 11.044 1.00 73.21 H new ATOM 923 N THR A 57 9.074 -3.842 15.480 1.00 1.52 N ATOM 924 CA THR A 57 9.569 -5.197 15.815 1.00 2.30 C ATOM 925 C THR A 57 9.500 -6.140 14.578 1.00 22.14 C ATOM 926 O THR A 57 9.121 -5.719 13.469 1.00 45.35 O ATOM 927 CB THR A 57 8.822 -5.835 17.068 1.00 11.45 C ATOM 928 OG1 THR A 57 7.522 -6.327 16.700 1.00 30.21 O ATOM 929 CG2 THR A 57 8.638 -4.822 18.219 1.00 53.00 C ATOM 0 H THR A 57 9.786 -3.124 15.615 1.00 1.52 H new ATOM 0 HA THR A 57 10.614 -5.084 16.103 1.00 2.30 H new ATOM 0 HB THR A 57 9.456 -6.653 17.409 1.00 11.45 H new ATOM 0 HG1 THR A 57 7.188 -5.823 15.929 1.00 30.21 H new ATOM 0 HG21 THR A 57 8.124 -5.305 19.050 1.00 53.00 H new ATOM 0 HG22 THR A 57 9.614 -4.469 18.552 1.00 53.00 H new ATOM 0 HG23 THR A 57 8.046 -3.976 17.868 1.00 53.00 H new ATOM 937 N ARG A 58 9.876 -7.411 14.791 1.00 61.23 N ATOM 938 CA ARG A 58 9.808 -8.483 13.774 1.00 4.42 C ATOM 939 C ARG A 58 8.366 -8.603 13.221 1.00 32.31 C ATOM 940 O ARG A 58 8.159 -8.670 12.011 1.00 71.44 O ATOM 941 CB ARG A 58 10.307 -9.808 14.453 1.00 4.14 C ATOM 942 CG ARG A 58 10.563 -11.064 13.557 1.00 3.21 C ATOM 943 CD ARG A 58 9.292 -11.876 13.195 1.00 55.15 C ATOM 944 NE ARG A 58 9.602 -13.292 12.898 1.00 30.42 N ATOM 945 CZ ARG A 58 9.680 -13.851 11.678 1.00 43.03 C ATOM 946 NH1 ARG A 58 9.481 -13.136 10.574 1.00 24.41 N ATOM 947 NH2 ARG A 58 9.937 -15.139 11.567 1.00 15.04 N ATOM 0 H ARG A 58 10.242 -7.732 15.687 1.00 61.23 H new ATOM 0 HA ARG A 58 10.445 -8.262 12.917 1.00 4.42 H new ATOM 0 HB2 ARG A 58 11.236 -9.581 14.976 1.00 4.14 H new ATOM 0 HB3 ARG A 58 9.574 -10.087 15.210 1.00 4.14 H new ATOM 0 HG2 ARG A 58 11.046 -10.742 12.634 1.00 3.21 H new ATOM 0 HG3 ARG A 58 11.263 -11.722 14.071 1.00 3.21 H new ATOM 0 HD2 ARG A 58 8.583 -11.826 14.021 1.00 55.15 H new ATOM 0 HD3 ARG A 58 8.807 -11.423 12.331 1.00 55.15 H new ATOM 0 HE ARG A 58 9.773 -13.903 13.696 1.00 30.42 H new ATOM 0 HH11 ARG A 58 9.264 -12.142 10.643 1.00 24.41 H new ATOM 0 HH12 ARG A 58 9.545 -13.582 9.659 1.00 24.41 H new ATOM 0 HH21 ARG A 58 10.075 -15.705 12.404 1.00 15.04 H new ATOM 0 HH22 ARG A 58 9.997 -15.569 10.644 1.00 15.04 H new ATOM 961 N SER A 59 7.381 -8.535 14.138 1.00 4.10 N ATOM 962 CA SER A 59 5.962 -8.772 13.822 1.00 24.24 C ATOM 963 C SER A 59 5.400 -7.759 12.799 1.00 12.51 C ATOM 964 O SER A 59 4.885 -8.162 11.747 1.00 13.13 O ATOM 965 CB SER A 59 5.124 -8.767 15.120 1.00 20.00 C ATOM 966 OG SER A 59 5.571 -9.772 16.022 1.00 30.10 O ATOM 0 H SER A 59 7.549 -8.314 15.119 1.00 4.10 H new ATOM 0 HA SER A 59 5.893 -9.753 13.352 1.00 24.24 H new ATOM 0 HB2 SER A 59 5.193 -7.789 15.597 1.00 20.00 H new ATOM 0 HB3 SER A 59 4.074 -8.931 14.879 1.00 20.00 H new ATOM 0 HG SER A 59 5.026 -9.747 16.836 1.00 30.10 H new ATOM 972 N ILE A 60 5.546 -6.447 13.086 1.00 22.31 N ATOM 973 CA ILE A 60 4.948 -5.384 12.243 1.00 70.15 C ATOM 974 C ILE A 60 5.823 -5.160 10.994 1.00 35.20 C ATOM 975 O ILE A 60 5.332 -4.690 9.971 1.00 34.13 O ATOM 976 CB ILE A 60 4.775 -4.059 13.070 1.00 45.24 C ATOM 977 CG1 ILE A 60 3.937 -4.335 14.369 1.00 45.12 C ATOM 978 CG2 ILE A 60 4.180 -2.901 12.241 1.00 14.40 C ATOM 979 CD1 ILE A 60 4.156 -3.343 15.505 1.00 61.31 C ATOM 0 H ILE A 60 6.069 -6.098 13.889 1.00 22.31 H new ATOM 0 HA ILE A 60 3.957 -5.697 11.915 1.00 70.15 H new ATOM 0 HB ILE A 60 5.772 -3.728 13.361 1.00 45.24 H new ATOM 0 HG12 ILE A 60 2.879 -4.335 14.107 1.00 45.12 H new ATOM 0 HG13 ILE A 60 4.176 -5.335 14.730 1.00 45.12 H new ATOM 0 HG21 ILE A 60 4.086 -2.015 12.869 1.00 14.40 H new ATOM 0 HG22 ILE A 60 4.837 -2.681 11.399 1.00 14.40 H new ATOM 0 HG23 ILE A 60 3.197 -3.188 11.868 1.00 14.40 H new ATOM 0 HD11 ILE A 60 3.533 -3.620 16.355 1.00 61.31 H new ATOM 0 HD12 ILE A 60 5.204 -3.357 15.803 1.00 61.31 H new ATOM 0 HD13 ILE A 60 3.888 -2.341 15.170 1.00 61.31 H new ATOM 991 N GLN A 61 7.128 -5.522 11.090 1.00 62.42 N ATOM 992 CA GLN A 61 8.040 -5.528 9.933 1.00 75.35 C ATOM 993 C GLN A 61 7.496 -6.469 8.843 1.00 44.50 C ATOM 994 O GLN A 61 7.385 -6.082 7.676 1.00 42.23 O ATOM 995 CB GLN A 61 9.464 -5.955 10.377 1.00 52.23 C ATOM 996 CG GLN A 61 10.519 -6.029 9.253 1.00 74.05 C ATOM 997 CD GLN A 61 11.937 -6.347 9.758 1.00 11.44 C ATOM 998 OE1 GLN A 61 12.301 -6.008 10.885 1.00 64.22 O ATOM 999 NE2 GLN A 61 12.753 -6.980 8.926 1.00 75.04 N ATOM 0 H GLN A 61 7.567 -5.813 11.963 1.00 62.42 H new ATOM 0 HA GLN A 61 8.102 -4.522 9.519 1.00 75.35 H new ATOM 0 HB2 GLN A 61 9.815 -5.254 11.134 1.00 52.23 H new ATOM 0 HB3 GLN A 61 9.398 -6.933 10.854 1.00 52.23 H new ATOM 0 HG2 GLN A 61 10.219 -6.792 8.534 1.00 74.05 H new ATOM 0 HG3 GLN A 61 10.537 -5.078 8.720 1.00 74.05 H new ATOM 0 HE21 GLN A 61 12.427 -7.250 7.998 1.00 75.04 H new ATOM 0 HE22 GLN A 61 13.707 -7.197 9.214 1.00 75.04 H new ATOM 1008 N ASP A 62 7.113 -7.688 9.256 1.00 62.41 N ATOM 1009 CA ASP A 62 6.542 -8.700 8.347 1.00 41.54 C ATOM 1010 C ASP A 62 5.109 -8.340 7.889 1.00 60.11 C ATOM 1011 O ASP A 62 4.758 -8.594 6.729 1.00 24.13 O ATOM 1012 CB ASP A 62 6.573 -10.101 9.008 1.00 61.01 C ATOM 1013 CG ASP A 62 7.987 -10.714 9.020 1.00 52.33 C ATOM 1014 OD1 ASP A 62 8.782 -10.400 9.925 1.00 52.33 O ATOM 1015 OD2 ASP A 62 8.313 -11.514 8.112 1.00 24.02 O ATOM 0 H ASP A 62 7.189 -8.001 10.224 1.00 62.41 H new ATOM 0 HA ASP A 62 7.164 -8.717 7.452 1.00 41.54 H new ATOM 0 HB2 ASP A 62 6.204 -10.025 10.031 1.00 61.01 H new ATOM 0 HB3 ASP A 62 5.896 -10.767 8.473 1.00 61.01 H new ATOM 1020 N MET A 63 4.282 -7.758 8.796 1.00 11.43 N ATOM 1021 CA MET A 63 2.890 -7.354 8.458 1.00 70.13 C ATOM 1022 C MET A 63 2.874 -6.234 7.402 1.00 20.45 C ATOM 1023 O MET A 63 2.308 -6.411 6.320 1.00 31.52 O ATOM 1024 CB MET A 63 2.069 -6.924 9.714 1.00 32.42 C ATOM 1025 CG MET A 63 1.772 -8.058 10.705 1.00 22.41 C ATOM 1026 SD MET A 63 0.458 -7.655 11.887 1.00 42.34 S ATOM 1027 CE MET A 63 1.151 -6.264 12.777 1.00 34.02 C ATOM 0 H MET A 63 4.551 -7.559 9.759 1.00 11.43 H new ATOM 0 HA MET A 63 2.408 -8.238 8.040 1.00 70.13 H new ATOM 0 HB2 MET A 63 2.614 -6.137 10.236 1.00 32.42 H new ATOM 0 HB3 MET A 63 1.124 -6.492 9.383 1.00 32.42 H new ATOM 0 HG2 MET A 63 1.489 -8.952 10.149 1.00 22.41 H new ATOM 0 HG3 MET A 63 2.683 -8.299 11.253 1.00 22.41 H new ATOM 0 HE1 MET A 63 0.441 -5.924 13.531 1.00 34.02 H new ATOM 0 HE2 MET A 63 2.078 -6.568 13.263 1.00 34.02 H new ATOM 0 HE3 MET A 63 1.356 -5.452 12.080 1.00 34.02 H new ATOM 1037 N VAL A 64 3.502 -5.088 7.744 1.00 45.00 N ATOM 1038 CA VAL A 64 3.619 -3.926 6.847 1.00 11.25 C ATOM 1039 C VAL A 64 4.321 -4.291 5.512 1.00 74.23 C ATOM 1040 O VAL A 64 3.777 -3.981 4.458 1.00 74.10 O ATOM 1041 CB VAL A 64 4.336 -2.715 7.568 1.00 24.44 C ATOM 1042 CG1 VAL A 64 4.702 -1.577 6.585 1.00 5.23 C ATOM 1043 CG2 VAL A 64 3.457 -2.169 8.725 1.00 31.02 C ATOM 0 H VAL A 64 3.942 -4.946 8.653 1.00 45.00 H new ATOM 0 HA VAL A 64 2.607 -3.609 6.596 1.00 11.25 H new ATOM 0 HB VAL A 64 5.270 -3.098 7.980 1.00 24.44 H new ATOM 0 HG11 VAL A 64 5.192 -0.770 7.129 1.00 5.23 H new ATOM 0 HG12 VAL A 64 5.377 -1.960 5.820 1.00 5.23 H new ATOM 0 HG13 VAL A 64 3.795 -1.199 6.113 1.00 5.23 H new ATOM 0 HG21 VAL A 64 3.968 -1.336 9.208 1.00 31.02 H new ATOM 0 HG22 VAL A 64 2.502 -1.827 8.326 1.00 31.02 H new ATOM 0 HG23 VAL A 64 3.283 -2.960 9.454 1.00 31.02 H new ATOM 1053 N ALA A 65 5.499 -4.978 5.551 1.00 50.20 N ATOM 1054 CA ALA A 65 6.231 -5.354 4.303 1.00 14.33 C ATOM 1055 C ALA A 65 5.416 -6.347 3.455 1.00 4.23 C ATOM 1056 O ALA A 65 5.489 -6.311 2.230 1.00 35.51 O ATOM 1057 CB ALA A 65 7.644 -5.912 4.582 1.00 31.41 C ATOM 0 H ALA A 65 5.955 -5.278 6.413 1.00 50.20 H new ATOM 0 HA ALA A 65 6.358 -4.432 3.736 1.00 14.33 H new ATOM 0 HB1 ALA A 65 8.127 -6.168 3.639 1.00 31.41 H new ATOM 0 HB2 ALA A 65 8.237 -5.159 5.101 1.00 31.41 H new ATOM 0 HB3 ALA A 65 7.567 -6.804 5.203 1.00 31.41 H new ATOM 1063 N GLY A 66 4.641 -7.223 4.124 1.00 23.01 N ATOM 1064 CA GLY A 66 3.733 -8.144 3.434 1.00 5.21 C ATOM 1065 C GLY A 66 2.623 -7.407 2.685 1.00 35.54 C ATOM 1066 O GLY A 66 2.251 -7.790 1.567 1.00 52.44 O ATOM 0 H GLY A 66 4.630 -7.308 5.140 1.00 23.01 H new ATOM 0 HA2 GLY A 66 4.301 -8.753 2.731 1.00 5.21 H new ATOM 0 HA3 GLY A 66 3.289 -8.826 4.160 1.00 5.21 H new ATOM 1070 N TYR A 67 2.111 -6.331 3.317 1.00 0.11 N ATOM 1071 CA TYR A 67 1.109 -5.435 2.719 1.00 14.22 C ATOM 1072 C TYR A 67 1.693 -4.695 1.519 1.00 23.31 C ATOM 1073 O TYR A 67 1.021 -4.575 0.495 1.00 73.24 O ATOM 1074 CB TYR A 67 0.581 -4.415 3.758 1.00 12.21 C ATOM 1075 CG TYR A 67 -0.331 -5.003 4.839 1.00 50.41 C ATOM 1076 CD1 TYR A 67 -1.134 -6.133 4.604 1.00 74.13 C ATOM 1077 CD2 TYR A 67 -0.420 -4.401 6.085 1.00 35.13 C ATOM 1078 CE1 TYR A 67 -1.977 -6.628 5.579 1.00 53.53 C ATOM 1079 CE2 TYR A 67 -1.255 -4.895 7.053 1.00 5.12 C ATOM 1080 CZ TYR A 67 -2.034 -6.004 6.800 1.00 20.03 C ATOM 1081 OH TYR A 67 -2.871 -6.494 7.783 1.00 62.23 O ATOM 0 H TYR A 67 2.385 -6.061 4.262 1.00 0.11 H new ATOM 0 HA TYR A 67 0.275 -6.052 2.383 1.00 14.22 H new ATOM 0 HB2 TYR A 67 1.433 -3.939 4.243 1.00 12.21 H new ATOM 0 HB3 TYR A 67 0.036 -3.632 3.231 1.00 12.21 H new ATOM 0 HD1 TYR A 67 -1.091 -6.623 3.643 1.00 74.13 H new ATOM 0 HD2 TYR A 67 0.179 -3.528 6.296 1.00 35.13 H new ATOM 0 HE1 TYR A 67 -2.586 -7.498 5.383 1.00 53.53 H new ATOM 0 HE2 TYR A 67 -1.303 -4.413 8.018 1.00 5.12 H new ATOM 0 HH TYR A 67 -2.792 -5.939 8.587 1.00 62.23 H new ATOM 1091 N ILE A 68 2.952 -4.218 1.674 1.00 21.22 N ATOM 1092 CA ILE A 68 3.685 -3.505 0.617 1.00 15.12 C ATOM 1093 C ILE A 68 3.820 -4.413 -0.609 1.00 51.54 C ATOM 1094 O ILE A 68 3.439 -4.018 -1.700 1.00 61.32 O ATOM 1095 CB ILE A 68 5.112 -3.020 1.093 1.00 74.23 C ATOM 1096 CG1 ILE A 68 4.994 -2.035 2.301 1.00 53.22 C ATOM 1097 CG2 ILE A 68 5.897 -2.369 -0.075 1.00 3.23 C ATOM 1098 CD1 ILE A 68 6.315 -1.573 2.907 1.00 4.13 C ATOM 0 H ILE A 68 3.482 -4.321 2.539 1.00 21.22 H new ATOM 0 HA ILE A 68 3.114 -2.612 0.363 1.00 15.12 H new ATOM 0 HB ILE A 68 5.669 -3.896 1.425 1.00 74.23 H new ATOM 0 HG12 ILE A 68 4.437 -1.156 1.977 1.00 53.22 H new ATOM 0 HG13 ILE A 68 4.405 -2.516 3.082 1.00 53.22 H new ATOM 0 HG21 ILE A 68 6.875 -2.044 0.280 1.00 3.23 H new ATOM 0 HG22 ILE A 68 6.025 -3.096 -0.877 1.00 3.23 H new ATOM 0 HG23 ILE A 68 5.343 -1.508 -0.450 1.00 3.23 H new ATOM 0 HD11 ILE A 68 6.117 -0.894 3.736 1.00 4.13 H new ATOM 0 HD12 ILE A 68 6.871 -2.437 3.270 1.00 4.13 H new ATOM 0 HD13 ILE A 68 6.903 -1.057 2.148 1.00 4.13 H new ATOM 1110 N LYS A 69 4.286 -5.660 -0.378 1.00 65.21 N ATOM 1111 CA LYS A 69 4.498 -6.668 -1.430 1.00 55.43 C ATOM 1112 C LYS A 69 3.193 -6.925 -2.195 1.00 31.12 C ATOM 1113 O LYS A 69 3.176 -6.923 -3.436 1.00 4.51 O ATOM 1114 CB LYS A 69 5.011 -7.998 -0.808 1.00 41.43 C ATOM 1115 CG LYS A 69 5.436 -9.074 -1.838 1.00 63.12 C ATOM 1116 CD LYS A 69 6.633 -8.626 -2.712 1.00 3.31 C ATOM 1117 CE LYS A 69 7.063 -9.697 -3.728 1.00 74.24 C ATOM 1118 NZ LYS A 69 5.982 -10.034 -4.702 1.00 31.11 N ATOM 0 H LYS A 69 4.527 -5.994 0.555 1.00 65.21 H new ATOM 0 HA LYS A 69 5.247 -6.287 -2.124 1.00 55.43 H new ATOM 0 HB2 LYS A 69 5.861 -7.777 -0.162 1.00 41.43 H new ATOM 0 HB3 LYS A 69 4.228 -8.412 -0.173 1.00 41.43 H new ATOM 0 HG2 LYS A 69 5.699 -9.991 -1.311 1.00 63.12 H new ATOM 0 HG3 LYS A 69 4.589 -9.309 -2.482 1.00 63.12 H new ATOM 0 HD2 LYS A 69 6.367 -7.713 -3.244 1.00 3.31 H new ATOM 0 HD3 LYS A 69 7.478 -8.384 -2.067 1.00 3.31 H new ATOM 0 HE2 LYS A 69 7.940 -9.345 -4.272 1.00 74.24 H new ATOM 0 HE3 LYS A 69 7.360 -10.600 -3.194 1.00 74.24 H new ATOM 0 HZ1 LYS A 69 5.664 -11.011 -4.543 1.00 31.11 H new ATOM 0 HZ2 LYS A 69 5.181 -9.384 -4.570 1.00 31.11 H new ATOM 0 HZ3 LYS A 69 6.347 -9.942 -5.671 1.00 31.11 H new ATOM 1132 N GLN A 70 2.093 -7.094 -1.423 1.00 2.34 N ATOM 1133 CA GLN A 70 0.764 -7.361 -1.977 1.00 13.53 C ATOM 1134 C GLN A 70 0.320 -6.232 -2.909 1.00 53.42 C ATOM 1135 O GLN A 70 -0.091 -6.492 -4.036 1.00 4.31 O ATOM 1136 CB GLN A 70 -0.302 -7.550 -0.870 1.00 11.44 C ATOM 1137 CG GLN A 70 -1.675 -7.981 -1.430 1.00 72.32 C ATOM 1138 CD GLN A 70 -2.809 -7.973 -0.416 1.00 52.02 C ATOM 1139 OE1 GLN A 70 -2.831 -7.171 0.514 1.00 25.12 O ATOM 1140 NE2 GLN A 70 -3.762 -8.868 -0.593 1.00 23.34 N ATOM 0 H GLN A 70 2.112 -7.047 -0.404 1.00 2.34 H new ATOM 0 HA GLN A 70 0.847 -8.290 -2.541 1.00 13.53 H new ATOM 0 HB2 GLN A 70 0.047 -8.299 -0.160 1.00 11.44 H new ATOM 0 HB3 GLN A 70 -0.416 -6.617 -0.319 1.00 11.44 H new ATOM 0 HG2 GLN A 70 -1.939 -7.319 -2.255 1.00 72.32 H new ATOM 0 HG3 GLN A 70 -1.584 -8.985 -1.844 1.00 72.32 H new ATOM 0 HE21 GLN A 70 -3.711 -9.519 -1.377 1.00 23.34 H new ATOM 0 HE22 GLN A 70 -4.550 -8.909 0.054 1.00 23.34 H new ATOM 1149 N THR A 71 0.461 -4.975 -2.442 1.00 2.23 N ATOM 1150 CA THR A 71 -0.029 -3.811 -3.172 1.00 74.12 C ATOM 1151 C THR A 71 0.908 -3.488 -4.349 1.00 22.53 C ATOM 1152 O THR A 71 0.458 -2.897 -5.342 1.00 40.20 O ATOM 1153 CB THR A 71 -0.282 -2.576 -2.222 1.00 54.32 C ATOM 1154 OG1 THR A 71 -0.765 -1.454 -2.963 1.00 3.32 O ATOM 1155 CG2 THR A 71 0.935 -2.126 -1.431 1.00 51.32 C ATOM 0 H THR A 71 0.914 -4.750 -1.556 1.00 2.23 H new ATOM 0 HA THR A 71 -1.005 -4.053 -3.592 1.00 74.12 H new ATOM 0 HB THR A 71 -1.024 -2.932 -1.507 1.00 54.32 H new ATOM 0 HG1 THR A 71 -1.465 -0.999 -2.449 1.00 3.32 H new ATOM 0 HG21 THR A 71 0.668 -1.273 -0.807 1.00 51.32 H new ATOM 0 HG22 THR A 71 1.281 -2.944 -0.799 1.00 51.32 H new ATOM 0 HG23 THR A 71 1.730 -1.837 -2.119 1.00 51.32 H new ATOM 1163 N LEU A 72 2.197 -3.921 -4.261 1.00 43.43 N ATOM 1164 CA LEU A 72 3.141 -3.830 -5.394 1.00 41.34 C ATOM 1165 C LEU A 72 2.596 -4.666 -6.553 1.00 41.23 C ATOM 1166 O LEU A 72 2.448 -4.155 -7.656 1.00 72.42 O ATOM 1167 CB LEU A 72 4.599 -4.299 -5.048 1.00 0.31 C ATOM 1168 CG LEU A 72 5.383 -3.466 -3.982 1.00 42.42 C ATOM 1169 CD1 LEU A 72 6.864 -3.896 -3.887 1.00 64.43 C ATOM 1170 CD2 LEU A 72 5.238 -1.952 -4.215 1.00 1.03 C ATOM 0 H LEU A 72 2.597 -4.333 -3.418 1.00 43.43 H new ATOM 0 HA LEU A 72 3.219 -2.776 -5.661 1.00 41.34 H new ATOM 0 HB2 LEU A 72 4.548 -5.331 -4.700 1.00 0.31 H new ATOM 0 HB3 LEU A 72 5.181 -4.301 -5.970 1.00 0.31 H new ATOM 0 HG LEU A 72 4.928 -3.683 -3.015 1.00 42.42 H new ATOM 0 HD11 LEU A 72 7.371 -3.292 -3.135 1.00 64.43 H new ATOM 0 HD12 LEU A 72 6.920 -4.948 -3.606 1.00 64.43 H new ATOM 0 HD13 LEU A 72 7.347 -3.753 -4.853 1.00 64.43 H new ATOM 0 HD21 LEU A 72 5.798 -1.411 -3.452 1.00 1.03 H new ATOM 0 HD22 LEU A 72 5.627 -1.697 -5.201 1.00 1.03 H new ATOM 0 HD23 LEU A 72 4.186 -1.674 -4.158 1.00 1.03 H new ATOM 1182 N ASP A 73 2.254 -5.944 -6.259 1.00 55.22 N ATOM 1183 CA ASP A 73 1.704 -6.893 -7.258 1.00 0.31 C ATOM 1184 C ASP A 73 0.334 -6.451 -7.794 1.00 74.25 C ATOM 1185 O ASP A 73 0.142 -6.431 -9.006 1.00 1.34 O ATOM 1186 CB ASP A 73 1.620 -8.329 -6.677 1.00 74.41 C ATOM 1187 CG ASP A 73 3.009 -8.956 -6.478 1.00 75.51 C ATOM 1188 OD1 ASP A 73 3.454 -9.121 -5.322 1.00 20.21 O ATOM 1189 OD2 ASP A 73 3.690 -9.248 -7.491 1.00 21.30 O ATOM 0 H ASP A 73 2.351 -6.345 -5.326 1.00 55.22 H new ATOM 0 HA ASP A 73 2.397 -6.895 -8.100 1.00 0.31 H new ATOM 0 HB2 ASP A 73 1.095 -8.303 -5.722 1.00 74.41 H new ATOM 0 HB3 ASP A 73 1.032 -8.957 -7.347 1.00 74.41 H new ATOM 1194 N ASN A 74 -0.593 -6.089 -6.879 1.00 22.43 N ATOM 1195 CA ASN A 74 -1.971 -5.635 -7.222 1.00 53.33 C ATOM 1196 C ASN A 74 -1.928 -4.502 -8.260 1.00 22.21 C ATOM 1197 O ASN A 74 -2.478 -4.627 -9.370 1.00 60.11 O ATOM 1198 CB ASN A 74 -2.728 -5.133 -5.956 1.00 63.20 C ATOM 1199 CG ASN A 74 -3.069 -6.215 -4.929 1.00 50.01 C ATOM 1200 OD1 ASN A 74 -3.291 -7.376 -5.260 1.00 3.11 O ATOM 1201 ND2 ASN A 74 -3.124 -5.826 -3.663 1.00 5.22 N ATOM 0 H ASN A 74 -0.411 -6.102 -5.875 1.00 22.43 H new ATOM 0 HA ASN A 74 -2.500 -6.492 -7.639 1.00 53.33 H new ATOM 0 HB2 ASN A 74 -2.121 -4.370 -5.468 1.00 63.20 H new ATOM 0 HB3 ASN A 74 -3.653 -4.651 -6.273 1.00 63.20 H new ATOM 0 HD21 ASN A 74 -3.356 -6.499 -2.932 1.00 5.22 H new ATOM 0 HD22 ASN A 74 -2.934 -4.854 -3.419 1.00 5.22 H new ATOM 1208 N GLU A 75 -1.202 -3.430 -7.895 1.00 21.03 N ATOM 1209 CA GLU A 75 -1.098 -2.220 -8.710 1.00 11.34 C ATOM 1210 C GLU A 75 -0.257 -2.487 -9.986 1.00 61.45 C ATOM 1211 O GLU A 75 -0.508 -1.885 -11.016 1.00 53.25 O ATOM 1212 CB GLU A 75 -0.490 -1.054 -7.882 1.00 3.10 C ATOM 1213 CG GLU A 75 -0.699 0.339 -8.519 1.00 13.21 C ATOM 1214 CD GLU A 75 0.251 1.414 -7.984 1.00 24.02 C ATOM 1215 OE1 GLU A 75 1.452 1.399 -8.382 1.00 3.21 O ATOM 1216 OE2 GLU A 75 -0.184 2.277 -7.187 1.00 74.24 O ATOM 0 H GLU A 75 -0.673 -3.385 -7.024 1.00 21.03 H new ATOM 0 HA GLU A 75 -2.102 -1.930 -9.021 1.00 11.34 H new ATOM 0 HB2 GLU A 75 -0.933 -1.058 -6.886 1.00 3.10 H new ATOM 0 HB3 GLU A 75 0.578 -1.229 -7.756 1.00 3.10 H new ATOM 0 HG2 GLU A 75 -0.569 0.258 -9.598 1.00 13.21 H new ATOM 0 HG3 GLU A 75 -1.727 0.657 -8.345 1.00 13.21 H new ATOM 1223 N GLN A 76 0.719 -3.416 -9.905 1.00 31.34 N ATOM 1224 CA GLN A 76 1.558 -3.828 -11.062 1.00 13.13 C ATOM 1225 C GLN A 76 0.699 -4.504 -12.146 1.00 50.53 C ATOM 1226 O GLN A 76 0.894 -4.266 -13.339 1.00 0.21 O ATOM 1227 CB GLN A 76 2.679 -4.797 -10.600 1.00 43.52 C ATOM 1228 CG GLN A 76 3.563 -5.381 -11.722 1.00 41.42 C ATOM 1229 CD GLN A 76 4.629 -6.373 -11.238 1.00 50.22 C ATOM 1230 OE1 GLN A 76 4.336 -7.140 -10.185 1.00 55.11 O flip ATOM 1231 NE2 GLN A 76 5.704 -6.476 -11.834 1.00 33.12 N flip ATOM 0 H GLN A 76 0.951 -3.904 -9.040 1.00 31.34 H new ATOM 0 HA GLN A 76 2.013 -2.932 -11.485 1.00 13.13 H new ATOM 0 HB2 GLN A 76 3.321 -4.270 -9.894 1.00 43.52 H new ATOM 0 HB3 GLN A 76 2.219 -5.623 -10.058 1.00 43.52 H new ATOM 0 HG2 GLN A 76 2.923 -5.880 -12.449 1.00 41.42 H new ATOM 0 HG3 GLN A 76 4.057 -4.561 -12.243 1.00 41.42 H new ATOM 0 HE21 GLN A 76 5.902 -5.877 -12.636 1.00 33.12 H new ATOM 0 HE22 GLN A 76 6.395 -7.160 -11.525 1.00 33.12 H new ATOM 1240 N LEU A 77 -0.242 -5.351 -11.699 1.00 71.35 N ATOM 1241 CA LEU A 77 -1.182 -6.056 -12.583 1.00 40.40 C ATOM 1242 C LEU A 77 -2.144 -5.049 -13.235 1.00 44.44 C ATOM 1243 O LEU A 77 -2.470 -5.168 -14.422 1.00 30.42 O ATOM 1244 CB LEU A 77 -1.948 -7.145 -11.788 1.00 61.22 C ATOM 1245 CG LEU A 77 -1.076 -8.306 -11.208 1.00 23.21 C ATOM 1246 CD1 LEU A 77 -1.901 -9.232 -10.292 1.00 2.43 C ATOM 1247 CD2 LEU A 77 -0.383 -9.104 -12.330 1.00 73.42 C ATOM 0 H LEU A 77 -0.372 -5.566 -10.711 1.00 71.35 H new ATOM 0 HA LEU A 77 -0.628 -6.554 -13.379 1.00 40.40 H new ATOM 0 HB2 LEU A 77 -2.473 -6.664 -10.963 1.00 61.22 H new ATOM 0 HB3 LEU A 77 -2.707 -7.577 -12.440 1.00 61.22 H new ATOM 0 HG LEU A 77 -0.297 -7.851 -10.597 1.00 23.21 H new ATOM 0 HD11 LEU A 77 -1.262 -10.027 -9.908 1.00 2.43 H new ATOM 0 HD12 LEU A 77 -2.304 -8.655 -9.459 1.00 2.43 H new ATOM 0 HD13 LEU A 77 -2.722 -9.669 -10.861 1.00 2.43 H new ATOM 0 HD21 LEU A 77 0.215 -9.903 -11.892 1.00 73.42 H new ATOM 0 HD22 LEU A 77 -1.137 -9.534 -12.989 1.00 73.42 H new ATOM 0 HD23 LEU A 77 0.264 -8.439 -12.903 1.00 73.42 H new ATOM 1259 N LEU A 78 -2.572 -4.038 -12.438 1.00 74.50 N ATOM 1260 CA LEU A 78 -3.356 -2.898 -12.948 1.00 62.05 C ATOM 1261 C LEU A 78 -2.596 -2.140 -14.045 1.00 3.42 C ATOM 1262 O LEU A 78 -3.127 -1.950 -15.121 1.00 40.32 O ATOM 1263 CB LEU A 78 -3.748 -1.926 -11.801 1.00 25.33 C ATOM 1264 CG LEU A 78 -4.735 -2.509 -10.756 1.00 10.31 C ATOM 1265 CD1 LEU A 78 -5.089 -1.471 -9.682 1.00 51.52 C ATOM 1266 CD2 LEU A 78 -5.995 -3.050 -11.448 1.00 15.32 C ATOM 0 H LEU A 78 -2.383 -3.995 -11.437 1.00 74.50 H new ATOM 0 HA LEU A 78 -4.268 -3.306 -13.383 1.00 62.05 H new ATOM 0 HB2 LEU A 78 -2.841 -1.612 -11.285 1.00 25.33 H new ATOM 0 HB3 LEU A 78 -4.192 -1.032 -12.239 1.00 25.33 H new ATOM 0 HG LEU A 78 -4.242 -3.340 -10.252 1.00 10.31 H new ATOM 0 HD11 LEU A 78 -5.782 -1.911 -8.965 1.00 51.52 H new ATOM 0 HD12 LEU A 78 -4.182 -1.159 -9.165 1.00 51.52 H new ATOM 0 HD13 LEU A 78 -5.555 -0.605 -10.152 1.00 51.52 H new ATOM 0 HD21 LEU A 78 -6.676 -3.455 -10.699 1.00 15.32 H new ATOM 0 HD22 LEU A 78 -6.489 -2.242 -11.988 1.00 15.32 H new ATOM 0 HD23 LEU A 78 -5.716 -3.837 -12.148 1.00 15.32 H new ATOM 1278 N LYS A 79 -1.337 -1.763 -13.765 1.00 0.53 N ATOM 1279 CA LYS A 79 -0.469 -1.015 -14.704 1.00 73.15 C ATOM 1280 C LYS A 79 -0.217 -1.819 -15.996 1.00 13.55 C ATOM 1281 O LYS A 79 -0.184 -1.250 -17.088 1.00 35.21 O ATOM 1282 CB LYS A 79 0.888 -0.637 -14.022 1.00 30.33 C ATOM 1283 CG LYS A 79 0.946 0.763 -13.373 1.00 0.41 C ATOM 1284 CD LYS A 79 0.021 0.927 -12.162 1.00 62.33 C ATOM 1285 CE LYS A 79 0.193 2.283 -11.480 1.00 51.12 C ATOM 1286 NZ LYS A 79 1.579 2.532 -11.012 1.00 42.21 N ATOM 0 H LYS A 79 -0.885 -1.968 -12.874 1.00 0.53 H new ATOM 0 HA LYS A 79 -0.989 -0.097 -14.976 1.00 73.15 H new ATOM 0 HB2 LYS A 79 1.108 -1.381 -13.257 1.00 30.33 H new ATOM 0 HB3 LYS A 79 1.679 -0.704 -14.769 1.00 30.33 H new ATOM 0 HG2 LYS A 79 1.971 0.967 -13.064 1.00 0.41 H new ATOM 0 HG3 LYS A 79 0.684 1.511 -14.122 1.00 0.41 H new ATOM 0 HD2 LYS A 79 -1.015 0.812 -12.481 1.00 62.33 H new ATOM 0 HD3 LYS A 79 0.223 0.133 -11.443 1.00 62.33 H new ATOM 0 HE2 LYS A 79 -0.096 3.071 -12.176 1.00 51.12 H new ATOM 0 HE3 LYS A 79 -0.487 2.343 -10.630 1.00 51.12 H new ATOM 0 HZ1 LYS A 79 1.567 2.759 -9.997 1.00 42.21 H new ATOM 0 HZ2 LYS A 79 2.157 1.682 -11.170 1.00 42.21 H new ATOM 0 HZ3 LYS A 79 1.986 3.330 -11.541 1.00 42.21 H new ATOM 1300 N GLY A 80 -0.038 -3.139 -15.838 1.00 62.13 N ATOM 1301 CA GLY A 80 0.156 -4.044 -16.967 1.00 23.34 C ATOM 1302 C GLY A 80 -1.097 -4.176 -17.820 1.00 43.44 C ATOM 1303 O GLY A 80 -1.020 -4.422 -19.030 1.00 43.42 O ATOM 0 H GLY A 80 -0.025 -3.601 -14.929 1.00 62.13 H new ATOM 0 HA2 GLY A 80 0.977 -3.681 -17.585 1.00 23.34 H new ATOM 0 HA3 GLY A 80 0.447 -5.027 -16.597 1.00 23.34 H new ATOM 1307 N LEU A 81 -2.262 -4.023 -17.169 1.00 5.21 N ATOM 1308 CA LEU A 81 -3.573 -4.033 -17.837 1.00 21.11 C ATOM 1309 C LEU A 81 -3.819 -2.660 -18.522 1.00 53.13 C ATOM 1310 O LEU A 81 -4.310 -2.613 -19.649 1.00 1.20 O ATOM 1311 CB LEU A 81 -4.677 -4.390 -16.784 1.00 50.01 C ATOM 1312 CG LEU A 81 -6.027 -5.015 -17.305 1.00 5.43 C ATOM 1313 CD1 LEU A 81 -6.857 -5.596 -16.135 1.00 72.32 C ATOM 1314 CD2 LEU A 81 -6.875 -4.013 -18.121 1.00 51.33 C ATOM 0 H LEU A 81 -2.321 -3.888 -16.160 1.00 5.21 H new ATOM 0 HA LEU A 81 -3.605 -4.790 -18.620 1.00 21.11 H new ATOM 0 HB2 LEU A 81 -4.242 -5.087 -16.068 1.00 50.01 H new ATOM 0 HB3 LEU A 81 -4.921 -3.480 -16.235 1.00 50.01 H new ATOM 0 HG LEU A 81 -5.751 -5.825 -17.981 1.00 5.43 H new ATOM 0 HD11 LEU A 81 -7.783 -6.021 -16.522 1.00 72.32 H new ATOM 0 HD12 LEU A 81 -6.283 -6.374 -15.633 1.00 72.32 H new ATOM 0 HD13 LEU A 81 -7.091 -4.802 -15.425 1.00 72.32 H new ATOM 0 HD21 LEU A 81 -7.792 -4.499 -18.454 1.00 51.33 H new ATOM 0 HD22 LEU A 81 -7.125 -3.155 -17.497 1.00 51.33 H new ATOM 0 HD23 LEU A 81 -6.307 -3.678 -18.989 1.00 51.33 H new ATOM 1326 N LEU A 82 -3.414 -1.555 -17.852 1.00 55.04 N ATOM 1327 CA LEU A 82 -3.732 -0.178 -18.293 1.00 63.44 C ATOM 1328 C LEU A 82 -2.820 0.255 -19.458 1.00 25.44 C ATOM 1329 O LEU A 82 -3.271 0.408 -20.595 1.00 41.54 O ATOM 1330 CB LEU A 82 -3.568 0.825 -17.103 1.00 74.13 C ATOM 1331 CG LEU A 82 -4.560 0.688 -15.905 1.00 33.43 C ATOM 1332 CD1 LEU A 82 -4.204 1.687 -14.781 1.00 42.34 C ATOM 1333 CD2 LEU A 82 -6.023 0.852 -16.347 1.00 0.22 C ATOM 0 H LEU A 82 -2.861 -1.593 -16.996 1.00 55.04 H new ATOM 0 HA LEU A 82 -4.766 -0.169 -18.636 1.00 63.44 H new ATOM 0 HB2 LEU A 82 -2.555 0.724 -16.714 1.00 74.13 H new ATOM 0 HB3 LEU A 82 -3.657 1.836 -17.500 1.00 74.13 H new ATOM 0 HG LEU A 82 -4.456 -0.323 -15.511 1.00 33.43 H new ATOM 0 HD11 LEU A 82 -4.908 1.574 -13.957 1.00 42.34 H new ATOM 0 HD12 LEU A 82 -3.193 1.488 -14.424 1.00 42.34 H new ATOM 0 HD13 LEU A 82 -4.259 2.705 -15.168 1.00 42.34 H new ATOM 0 HD21 LEU A 82 -6.678 0.749 -15.482 1.00 0.22 H new ATOM 0 HD22 LEU A 82 -6.161 1.838 -16.791 1.00 0.22 H new ATOM 0 HD23 LEU A 82 -6.269 0.085 -17.082 1.00 0.22 H new ATOM 1345 N GLN A 83 -1.521 0.393 -19.154 1.00 14.43 N ATOM 1346 CA GLN A 83 -0.517 0.986 -20.058 1.00 35.34 C ATOM 1347 C GLN A 83 0.841 0.300 -19.830 1.00 74.10 C ATOM 1348 O GLN A 83 1.283 -0.522 -20.641 1.00 43.30 O ATOM 1349 CB GLN A 83 -0.386 2.525 -19.805 1.00 25.34 C ATOM 1350 CG GLN A 83 -1.548 3.406 -20.303 1.00 12.31 C ATOM 1351 CD GLN A 83 -1.642 3.474 -21.824 1.00 33.35 C ATOM 1352 OE1 GLN A 83 -2.350 2.690 -22.458 1.00 43.42 O ATOM 1353 NE2 GLN A 83 -0.897 4.394 -22.425 1.00 11.30 N ATOM 0 H GLN A 83 -1.130 0.092 -18.261 1.00 14.43 H new ATOM 0 HA GLN A 83 -0.837 0.835 -21.089 1.00 35.34 H new ATOM 0 HB2 GLN A 83 -0.271 2.686 -18.733 1.00 25.34 H new ATOM 0 HB3 GLN A 83 0.532 2.872 -20.279 1.00 25.34 H new ATOM 0 HG2 GLN A 83 -2.486 3.019 -19.905 1.00 12.31 H new ATOM 0 HG3 GLN A 83 -1.426 4.414 -19.908 1.00 12.31 H new ATOM 0 HE21 GLN A 83 -0.322 5.027 -21.869 1.00 11.30 H new ATOM 0 HE22 GLN A 83 -0.899 4.467 -23.442 1.00 11.30 H new ATOM 1362 N GLN A 84 1.454 0.623 -18.683 1.00 4.54 N ATOM 1363 CA GLN A 84 2.815 0.196 -18.324 1.00 21.03 C ATOM 1364 C GLN A 84 3.053 0.527 -16.838 1.00 31.20 C ATOM 1365 O GLN A 84 2.309 1.337 -16.266 1.00 24.14 O ATOM 1366 CB GLN A 84 3.868 0.918 -19.224 1.00 11.00 C ATOM 1367 CG GLN A 84 5.298 0.334 -19.154 1.00 53.13 C ATOM 1368 CD GLN A 84 6.335 1.059 -20.021 1.00 41.23 C ATOM 1369 OE1 GLN A 84 7.520 1.099 -19.680 1.00 55.12 O ATOM 1370 NE2 GLN A 84 5.918 1.613 -21.154 1.00 3.13 N ATOM 0 H GLN A 84 1.011 1.198 -17.966 1.00 4.54 H new ATOM 0 HA GLN A 84 2.922 -0.877 -18.484 1.00 21.03 H new ATOM 0 HB2 GLN A 84 3.527 0.880 -20.258 1.00 11.00 H new ATOM 0 HB3 GLN A 84 3.907 1.970 -18.940 1.00 11.00 H new ATOM 0 HG2 GLN A 84 5.633 0.356 -18.117 1.00 53.13 H new ATOM 0 HG3 GLN A 84 5.262 -0.713 -19.455 1.00 53.13 H new ATOM 0 HE21 GLN A 84 4.932 1.566 -21.412 1.00 3.13 H new ATOM 0 HE22 GLN A 84 6.583 2.086 -21.766 1.00 3.13 H new ATOM 1379 N ARG A 85 4.105 -0.090 -16.247 1.00 3.10 N ATOM 1380 CA ARG A 85 4.511 0.067 -14.823 1.00 3.33 C ATOM 1381 C ARG A 85 4.510 1.533 -14.330 1.00 34.52 C ATOM 1382 O ARG A 85 4.157 1.801 -13.171 1.00 1.11 O ATOM 1383 CB ARG A 85 5.905 -0.593 -14.615 1.00 31.35 C ATOM 1384 CG ARG A 85 7.033 -0.023 -15.521 1.00 73.10 C ATOM 1385 CD ARG A 85 8.242 -0.965 -15.655 1.00 63.20 C ATOM 1386 NE ARG A 85 7.853 -2.261 -16.257 1.00 3.32 N ATOM 1387 CZ ARG A 85 8.641 -3.054 -17.005 1.00 12.55 C ATOM 1388 NH1 ARG A 85 9.909 -2.733 -17.273 1.00 52.44 N ATOM 1389 NH2 ARG A 85 8.130 -4.169 -17.509 1.00 43.02 N ATOM 0 H ARG A 85 4.713 -0.729 -16.759 1.00 3.10 H new ATOM 0 HA ARG A 85 3.760 -0.438 -14.215 1.00 3.33 H new ATOM 0 HB2 ARG A 85 6.198 -0.471 -13.572 1.00 31.35 H new ATOM 0 HB3 ARG A 85 5.816 -1.664 -14.798 1.00 31.35 H new ATOM 0 HG2 ARG A 85 6.626 0.178 -16.512 1.00 73.10 H new ATOM 0 HG3 ARG A 85 7.368 0.931 -15.115 1.00 73.10 H new ATOM 0 HD2 ARG A 85 9.008 -0.492 -16.270 1.00 63.20 H new ATOM 0 HD3 ARG A 85 8.683 -1.136 -14.673 1.00 63.20 H new ATOM 0 HE ARG A 85 6.899 -2.582 -16.089 1.00 3.32 H new ATOM 0 HH11 ARG A 85 10.304 -1.867 -16.907 1.00 52.44 H new ATOM 0 HH12 ARG A 85 10.483 -3.354 -17.843 1.00 52.44 H new ATOM 0 HH21 ARG A 85 7.156 -4.412 -17.327 1.00 43.02 H new ATOM 0 HH22 ARG A 85 8.711 -4.784 -18.079 1.00 43.02 H new ATOM 1403 N LEU A 86 4.884 2.469 -15.221 1.00 22.31 N ATOM 1404 CA LEU A 86 4.877 3.910 -14.937 1.00 21.44 C ATOM 1405 C LEU A 86 4.146 4.646 -16.072 1.00 52.33 C ATOM 1406 O LEU A 86 4.723 4.878 -17.141 1.00 61.42 O ATOM 1407 CB LEU A 86 6.326 4.452 -14.769 1.00 32.45 C ATOM 1408 CG LEU A 86 7.164 3.850 -13.599 1.00 55.21 C ATOM 1409 CD1 LEU A 86 8.560 4.488 -13.533 1.00 70.22 C ATOM 1410 CD2 LEU A 86 6.421 3.972 -12.245 1.00 32.02 C ATOM 0 H LEU A 86 5.201 2.242 -16.164 1.00 22.31 H new ATOM 0 HA LEU A 86 4.352 4.086 -13.998 1.00 21.44 H new ATOM 0 HB2 LEU A 86 6.865 4.277 -15.700 1.00 32.45 H new ATOM 0 HB3 LEU A 86 6.272 5.532 -14.630 1.00 32.45 H new ATOM 0 HG LEU A 86 7.295 2.787 -13.801 1.00 55.21 H new ATOM 0 HD11 LEU A 86 9.122 4.049 -12.708 1.00 70.22 H new ATOM 0 HD12 LEU A 86 9.088 4.306 -14.469 1.00 70.22 H new ATOM 0 HD13 LEU A 86 8.462 5.562 -13.375 1.00 70.22 H new ATOM 0 HD21 LEU A 86 7.035 3.542 -11.453 1.00 32.02 H new ATOM 0 HD22 LEU A 86 6.232 5.023 -12.027 1.00 32.02 H new ATOM 0 HD23 LEU A 86 5.473 3.436 -12.301 1.00 32.02 H new ATOM 1422 N ASP A 87 2.857 4.964 -15.839 1.00 74.02 N ATOM 1423 CA ASP A 87 2.039 5.768 -16.766 1.00 71.24 C ATOM 1424 C ASP A 87 0.826 6.337 -15.986 1.00 35.44 C ATOM 1425 O ASP A 87 0.927 7.412 -15.384 1.00 61.30 O ATOM 1426 CB ASP A 87 1.609 4.925 -18.011 1.00 21.11 C ATOM 1427 CG ASP A 87 1.055 5.773 -19.179 1.00 3.14 C ATOM 1428 OD1 ASP A 87 1.731 5.889 -20.222 1.00 4.24 O ATOM 1429 OD2 ASP A 87 -0.055 6.325 -19.065 1.00 21.34 O ATOM 0 H ASP A 87 2.354 4.670 -15.002 1.00 74.02 H new ATOM 0 HA ASP A 87 2.623 6.601 -17.156 1.00 71.24 H new ATOM 0 HB2 ASP A 87 2.467 4.353 -18.365 1.00 21.11 H new ATOM 0 HB3 ASP A 87 0.850 4.205 -17.706 1.00 21.11 H new ATOM 1434 N GLU A 88 -0.299 5.586 -15.955 1.00 45.24 N ATOM 1435 CA GLU A 88 -1.508 5.949 -15.173 1.00 61.11 C ATOM 1436 C GLU A 88 -1.350 5.428 -13.734 1.00 0.00 C ATOM 1437 O GLU A 88 -0.685 4.410 -13.539 1.00 61.40 O ATOM 1438 CB GLU A 88 -2.782 5.350 -15.831 1.00 0.00 C ATOM 1439 CG GLU A 88 -2.981 5.757 -17.306 1.00 33.12 C ATOM 1440 CD GLU A 88 -4.259 5.191 -17.941 1.00 34.44 C ATOM 1441 OE1 GLU A 88 -5.122 5.976 -18.398 1.00 31.50 O ATOM 1442 OE2 GLU A 88 -4.405 3.956 -17.982 1.00 61.31 O ATOM 0 H GLU A 88 -0.396 4.711 -16.471 1.00 45.24 H new ATOM 0 HA GLU A 88 -1.617 7.033 -15.156 1.00 61.11 H new ATOM 0 HB2 GLU A 88 -2.733 4.263 -15.769 1.00 0.00 H new ATOM 0 HB3 GLU A 88 -3.655 5.663 -15.258 1.00 0.00 H new ATOM 0 HG2 GLU A 88 -3.005 6.845 -17.372 1.00 33.12 H new ATOM 0 HG3 GLU A 88 -2.120 5.421 -17.885 1.00 33.12 H new ATOM 1449 N LEU A 89 -1.938 6.153 -12.745 1.00 25.13 N ATOM 1450 CA LEU A 89 -1.882 5.807 -11.289 1.00 33.44 C ATOM 1451 C LEU A 89 -0.422 5.810 -10.736 1.00 21.20 C ATOM 1452 O LEU A 89 -0.145 5.214 -9.689 1.00 20.35 O ATOM 1453 CB LEU A 89 -2.589 4.431 -11.019 1.00 21.42 C ATOM 1454 CG LEU A 89 -4.132 4.364 -11.274 1.00 12.24 C ATOM 1455 CD1 LEU A 89 -4.655 2.907 -11.209 1.00 43.31 C ATOM 1456 CD2 LEU A 89 -4.891 5.267 -10.279 1.00 42.41 C ATOM 0 H LEU A 89 -2.470 7.003 -12.932 1.00 25.13 H new ATOM 0 HA LEU A 89 -2.423 6.585 -10.750 1.00 33.44 H new ATOM 0 HB2 LEU A 89 -2.109 3.676 -11.642 1.00 21.42 H new ATOM 0 HB3 LEU A 89 -2.405 4.153 -9.981 1.00 21.42 H new ATOM 0 HG LEU A 89 -4.317 4.735 -12.282 1.00 12.24 H new ATOM 0 HD11 LEU A 89 -5.730 2.898 -11.391 1.00 43.31 H new ATOM 0 HD12 LEU A 89 -4.154 2.306 -11.968 1.00 43.31 H new ATOM 0 HD13 LEU A 89 -4.450 2.491 -10.223 1.00 43.31 H new ATOM 0 HD21 LEU A 89 -5.961 5.205 -10.475 1.00 42.41 H new ATOM 0 HD22 LEU A 89 -4.689 4.936 -9.260 1.00 42.41 H new ATOM 0 HD23 LEU A 89 -4.560 6.299 -10.398 1.00 42.41 H new ATOM 1468 N SER A 90 0.494 6.505 -11.439 1.00 32.11 N ATOM 1469 CA SER A 90 1.934 6.542 -11.098 1.00 74.53 C ATOM 1470 C SER A 90 2.338 7.958 -10.631 1.00 54.15 C ATOM 1471 O SER A 90 3.106 8.111 -9.667 1.00 41.33 O ATOM 1472 CB SER A 90 2.761 6.099 -12.328 1.00 63.11 C ATOM 1473 OG SER A 90 2.320 4.831 -12.796 1.00 74.02 O ATOM 0 H SER A 90 0.257 7.059 -12.262 1.00 32.11 H new ATOM 0 HA SER A 90 2.135 5.854 -10.276 1.00 74.53 H new ATOM 0 HB2 SER A 90 2.666 6.839 -13.123 1.00 63.11 H new ATOM 0 HB3 SER A 90 3.817 6.048 -12.064 1.00 63.11 H new ATOM 0 HG SER A 90 1.402 4.907 -13.131 1.00 74.02 H new ATOM 1479 N SER A 91 1.796 8.980 -11.322 1.00 43.42 N ATOM 1480 CA SER A 91 2.007 10.397 -10.988 1.00 41.34 C ATOM 1481 C SER A 91 1.098 10.796 -9.812 1.00 21.24 C ATOM 1482 O SER A 91 -0.071 11.144 -10.006 1.00 41.34 O ATOM 1483 CB SER A 91 1.743 11.275 -12.234 1.00 74.42 C ATOM 1484 OG SER A 91 2.549 10.860 -13.327 1.00 4.44 O ATOM 0 H SER A 91 1.195 8.841 -12.134 1.00 43.42 H new ATOM 0 HA SER A 91 3.041 10.553 -10.681 1.00 41.34 H new ATOM 0 HB2 SER A 91 0.690 11.215 -12.510 1.00 74.42 H new ATOM 0 HB3 SER A 91 1.951 12.319 -11.999 1.00 74.42 H new ATOM 0 HG SER A 91 2.364 11.428 -14.104 1.00 4.44 H new ATOM 1490 N LEU A 92 1.637 10.680 -8.581 1.00 33.00 N ATOM 1491 CA LEU A 92 0.859 10.908 -7.347 1.00 63.02 C ATOM 1492 C LEU A 92 0.949 12.388 -6.915 1.00 70.00 C ATOM 1493 O LEU A 92 -0.070 13.090 -6.867 1.00 51.34 O ATOM 1494 CB LEU A 92 1.332 9.956 -6.214 1.00 42.45 C ATOM 1495 CG LEU A 92 1.386 8.419 -6.541 1.00 14.03 C ATOM 1496 CD1 LEU A 92 1.448 7.576 -5.250 1.00 30.42 C ATOM 1497 CD2 LEU A 92 0.220 7.973 -7.443 1.00 13.31 C ATOM 0 H LEU A 92 2.612 10.429 -8.415 1.00 33.00 H new ATOM 0 HA LEU A 92 -0.188 10.683 -7.551 1.00 63.02 H new ATOM 0 HB2 LEU A 92 2.328 10.270 -5.903 1.00 42.45 H new ATOM 0 HB3 LEU A 92 0.672 10.096 -5.358 1.00 42.45 H new ATOM 0 HG LEU A 92 2.304 8.246 -7.102 1.00 14.03 H new ATOM 0 HD11 LEU A 92 1.484 6.518 -5.508 1.00 30.42 H new ATOM 0 HD12 LEU A 92 2.341 7.842 -4.684 1.00 30.42 H new ATOM 0 HD13 LEU A 92 0.563 7.772 -4.645 1.00 30.42 H new ATOM 0 HD21 LEU A 92 0.301 6.904 -7.641 1.00 13.31 H new ATOM 0 HD22 LEU A 92 -0.726 8.179 -6.943 1.00 13.31 H new ATOM 0 HD23 LEU A 92 0.259 8.520 -8.385 1.00 13.31 H new ATOM 1509 N ILE A 93 2.176 12.850 -6.589 1.00 72.14 N ATOM 1510 CA ILE A 93 2.446 14.280 -6.299 1.00 55.42 C ATOM 1511 C ILE A 93 2.508 15.061 -7.628 1.00 53.11 C ATOM 1512 O ILE A 93 1.936 16.153 -7.756 1.00 1.51 O ATOM 1513 CB ILE A 93 3.798 14.476 -5.509 1.00 64.34 C ATOM 1514 CG1 ILE A 93 3.844 13.560 -4.249 1.00 65.53 C ATOM 1515 CG2 ILE A 93 4.021 15.963 -5.119 1.00 62.15 C ATOM 1516 CD1 ILE A 93 5.185 13.538 -3.530 1.00 63.33 C ATOM 0 H ILE A 93 3.000 12.252 -6.519 1.00 72.14 H new ATOM 0 HA ILE A 93 1.639 14.656 -5.671 1.00 55.42 H new ATOM 0 HB ILE A 93 4.611 14.184 -6.174 1.00 64.34 H new ATOM 0 HG12 ILE A 93 3.076 13.889 -3.549 1.00 65.53 H new ATOM 0 HG13 ILE A 93 3.589 12.543 -4.546 1.00 65.53 H new ATOM 0 HG21 ILE A 93 4.961 16.060 -4.577 1.00 62.15 H new ATOM 0 HG22 ILE A 93 4.058 16.574 -6.021 1.00 62.15 H new ATOM 0 HG23 ILE A 93 3.200 16.300 -4.486 1.00 62.15 H new ATOM 0 HD11 ILE A 93 5.124 12.875 -2.667 1.00 63.33 H new ATOM 0 HD12 ILE A 93 5.957 13.178 -4.210 1.00 63.33 H new ATOM 0 HD13 ILE A 93 5.436 14.545 -3.197 1.00 63.33 H new ATOM 1528 N GLY A 94 3.198 14.458 -8.614 1.00 64.51 N ATOM 1529 CA GLY A 94 3.379 15.055 -9.940 1.00 71.13 C ATOM 1530 C GLY A 94 4.020 14.084 -10.930 1.00 72.21 C ATOM 1531 O GLY A 94 3.769 14.160 -12.138 1.00 33.01 O ATOM 0 H GLY A 94 3.643 13.546 -8.509 1.00 64.51 H new ATOM 0 HA2 GLY A 94 2.412 15.378 -10.326 1.00 71.13 H new ATOM 0 HA3 GLY A 94 4.001 15.946 -9.853 1.00 71.13 H new ATOM 1535 N GLN A 95 4.847 13.161 -10.411 1.00 34.04 N ATOM 1536 CA GLN A 95 5.545 12.137 -11.222 1.00 63.12 C ATOM 1537 C GLN A 95 5.570 10.792 -10.470 1.00 62.33 C ATOM 1538 O GLN A 95 4.977 10.671 -9.385 1.00 44.34 O ATOM 1539 CB GLN A 95 6.976 12.625 -11.585 1.00 73.41 C ATOM 1540 CG GLN A 95 7.883 12.913 -10.372 1.00 12.42 C ATOM 1541 CD GLN A 95 9.248 13.500 -10.744 1.00 61.44 C ATOM 1542 OE1 GLN A 95 9.387 14.208 -11.745 1.00 63.00 O ATOM 1543 NE2 GLN A 95 10.267 13.216 -9.944 1.00 73.52 N ATOM 0 H GLN A 95 5.054 13.100 -9.414 1.00 34.04 H new ATOM 0 HA GLN A 95 5.004 11.983 -12.155 1.00 63.12 H new ATOM 0 HB2 GLN A 95 7.455 11.871 -12.209 1.00 73.41 H new ATOM 0 HB3 GLN A 95 6.895 13.531 -12.185 1.00 73.41 H new ATOM 0 HG2 GLN A 95 7.371 13.605 -9.704 1.00 12.42 H new ATOM 0 HG3 GLN A 95 8.035 11.988 -9.817 1.00 12.42 H new ATOM 0 HE21 GLN A 95 10.123 12.628 -9.123 1.00 73.52 H new ATOM 0 HE22 GLN A 95 11.195 13.586 -10.149 1.00 73.52 H new ATOM 1552 N SER A 96 6.227 9.788 -11.081 1.00 63.24 N ATOM 1553 CA SER A 96 6.269 8.404 -10.585 1.00 74.33 C ATOM 1554 C SER A 96 7.043 8.283 -9.258 1.00 52.50 C ATOM 1555 O SER A 96 8.241 7.995 -9.239 1.00 31.45 O ATOM 1556 CB SER A 96 6.871 7.491 -11.669 1.00 33.21 C ATOM 1557 OG SER A 96 6.106 7.547 -12.863 1.00 14.34 O ATOM 0 H SER A 96 6.751 9.920 -11.946 1.00 63.24 H new ATOM 0 HA SER A 96 5.248 8.086 -10.372 1.00 74.33 H new ATOM 0 HB2 SER A 96 7.897 7.794 -11.876 1.00 33.21 H new ATOM 0 HB3 SER A 96 6.909 6.464 -11.305 1.00 33.21 H new ATOM 0 HG SER A 96 6.707 7.552 -13.637 1.00 14.34 H new ATOM 1563 N THR A 97 6.342 8.570 -8.157 1.00 24.42 N ATOM 1564 CA THR A 97 6.875 8.444 -6.795 1.00 34.34 C ATOM 1565 C THR A 97 6.639 7.018 -6.265 1.00 63.22 C ATOM 1566 O THR A 97 7.548 6.405 -5.700 1.00 34.34 O ATOM 1567 CB THR A 97 6.182 9.493 -5.860 1.00 41.31 C ATOM 1568 OG1 THR A 97 6.428 10.812 -6.369 1.00 64.41 O ATOM 1569 CG2 THR A 97 6.664 9.410 -4.396 1.00 41.13 C ATOM 0 H THR A 97 5.377 8.900 -8.186 1.00 24.42 H new ATOM 0 HA THR A 97 7.948 8.635 -6.810 1.00 34.34 H new ATOM 0 HB THR A 97 5.116 9.267 -5.857 1.00 41.31 H new ATOM 0 HG1 THR A 97 5.995 11.473 -5.789 1.00 64.41 H new ATOM 0 HG21 THR A 97 6.147 10.162 -3.800 1.00 41.13 H new ATOM 0 HG22 THR A 97 6.448 8.419 -3.997 1.00 41.13 H new ATOM 0 HG23 THR A 97 7.738 9.591 -4.356 1.00 41.13 H new ATOM 1577 N ARG A 98 5.427 6.500 -6.552 1.00 54.30 N ATOM 1578 CA ARG A 98 4.844 5.300 -5.916 1.00 60.25 C ATOM 1579 C ARG A 98 5.808 4.094 -5.910 1.00 24.32 C ATOM 1580 O ARG A 98 6.125 3.564 -4.842 1.00 64.20 O ATOM 1581 CB ARG A 98 3.517 4.934 -6.664 1.00 13.45 C ATOM 1582 CG ARG A 98 2.527 4.000 -5.909 1.00 63.23 C ATOM 1583 CD ARG A 98 3.016 2.545 -5.744 1.00 44.10 C ATOM 1584 NE ARG A 98 2.009 1.697 -5.115 1.00 0.20 N ATOM 1585 CZ ARG A 98 1.959 0.370 -5.201 1.00 33.01 C ATOM 1586 NH1 ARG A 98 2.845 -0.316 -5.911 1.00 21.05 N ATOM 1587 NH2 ARG A 98 1.014 -0.258 -4.572 1.00 63.22 N ATOM 0 H ARG A 98 4.811 6.915 -7.251 1.00 54.30 H new ATOM 0 HA ARG A 98 4.645 5.535 -4.870 1.00 60.25 H new ATOM 0 HB2 ARG A 98 2.995 5.860 -6.905 1.00 13.45 H new ATOM 0 HB3 ARG A 98 3.779 4.460 -7.610 1.00 13.45 H new ATOM 0 HG2 ARG A 98 2.334 4.419 -4.921 1.00 63.23 H new ATOM 0 HG3 ARG A 98 1.577 3.992 -6.443 1.00 63.23 H new ATOM 0 HD2 ARG A 98 3.275 2.137 -6.721 1.00 44.10 H new ATOM 0 HD3 ARG A 98 3.925 2.534 -5.143 1.00 44.10 H new ATOM 0 HE ARG A 98 1.285 2.159 -4.565 1.00 0.20 H new ATOM 0 HH11 ARG A 98 3.589 0.173 -6.409 1.00 21.05 H new ATOM 0 HH12 ARG A 98 2.783 -1.333 -5.959 1.00 21.05 H new ATOM 0 HH21 ARG A 98 0.329 0.265 -4.026 1.00 63.22 H new ATOM 0 HH22 ARG A 98 0.956 -1.275 -4.623 1.00 63.22 H new ATOM 1601 N GLN A 99 6.259 3.685 -7.113 1.00 60.32 N ATOM 1602 CA GLN A 99 7.015 2.431 -7.309 1.00 53.23 C ATOM 1603 C GLN A 99 8.320 2.446 -6.497 1.00 14.22 C ATOM 1604 O GLN A 99 8.564 1.539 -5.689 1.00 55.32 O ATOM 1605 CB GLN A 99 7.302 2.197 -8.821 1.00 25.13 C ATOM 1606 CG GLN A 99 8.127 0.921 -9.128 1.00 43.41 C ATOM 1607 CD GLN A 99 8.441 0.699 -10.615 1.00 31.02 C ATOM 1608 OE1 GLN A 99 9.508 0.187 -10.960 1.00 64.43 O ATOM 1609 NE2 GLN A 99 7.507 1.013 -11.504 1.00 50.32 N ATOM 0 H GLN A 99 6.110 4.212 -7.973 1.00 60.32 H new ATOM 0 HA GLN A 99 6.405 1.603 -6.946 1.00 53.23 H new ATOM 0 HB2 GLN A 99 6.353 2.137 -9.353 1.00 25.13 H new ATOM 0 HB3 GLN A 99 7.835 3.062 -9.215 1.00 25.13 H new ATOM 0 HG2 GLN A 99 9.066 0.971 -8.576 1.00 43.41 H new ATOM 0 HG3 GLN A 99 7.583 0.054 -8.753 1.00 43.41 H new ATOM 0 HE21 GLN A 99 6.631 1.436 -11.196 1.00 50.32 H new ATOM 0 HE22 GLN A 99 7.665 0.831 -12.495 1.00 50.32 H new ATOM 1618 N LYS A 100 9.104 3.520 -6.684 1.00 30.22 N ATOM 1619 CA LYS A 100 10.405 3.700 -6.025 1.00 3.02 C ATOM 1620 C LYS A 100 10.250 3.832 -4.496 1.00 31.55 C ATOM 1621 O LYS A 100 11.003 3.219 -3.735 1.00 10.30 O ATOM 1622 CB LYS A 100 11.117 4.950 -6.605 1.00 22.43 C ATOM 1623 CG LYS A 100 12.478 5.268 -5.939 1.00 51.42 C ATOM 1624 CD LYS A 100 13.194 6.481 -6.562 1.00 11.51 C ATOM 1625 CE LYS A 100 14.489 6.842 -5.812 1.00 35.01 C ATOM 1626 NZ LYS A 100 15.456 5.713 -5.770 1.00 35.52 N ATOM 0 H LYS A 100 8.850 4.292 -7.301 1.00 30.22 H new ATOM 0 HA LYS A 100 11.011 2.815 -6.219 1.00 3.02 H new ATOM 0 HB2 LYS A 100 11.273 4.803 -7.674 1.00 22.43 H new ATOM 0 HB3 LYS A 100 10.460 5.813 -6.495 1.00 22.43 H new ATOM 0 HG2 LYS A 100 12.320 5.455 -4.877 1.00 51.42 H new ATOM 0 HG3 LYS A 100 13.125 4.394 -6.016 1.00 51.42 H new ATOM 0 HD2 LYS A 100 13.428 6.266 -7.605 1.00 11.51 H new ATOM 0 HD3 LYS A 100 12.522 7.339 -6.557 1.00 11.51 H new ATOM 0 HE2 LYS A 100 14.958 7.700 -6.295 1.00 35.01 H new ATOM 0 HE3 LYS A 100 14.243 7.144 -4.794 1.00 35.01 H new ATOM 0 HZ1 LYS A 100 16.349 6.036 -5.345 1.00 35.52 H new ATOM 0 HZ2 LYS A 100 15.061 4.939 -5.199 1.00 35.52 H new ATOM 0 HZ3 LYS A 100 15.636 5.374 -6.737 1.00 35.52 H new ATOM 1640 N SER A 101 9.241 4.613 -4.071 1.00 0.25 N ATOM 1641 CA SER A 101 9.033 4.970 -2.663 1.00 2.23 C ATOM 1642 C SER A 101 8.589 3.758 -1.832 1.00 30.23 C ATOM 1643 O SER A 101 9.034 3.588 -0.692 1.00 2.15 O ATOM 1644 CB SER A 101 7.983 6.094 -2.551 1.00 71.11 C ATOM 1645 OG SER A 101 7.856 6.549 -1.211 1.00 63.21 O ATOM 0 H SER A 101 8.546 5.014 -4.700 1.00 0.25 H new ATOM 0 HA SER A 101 9.986 5.320 -2.265 1.00 2.23 H new ATOM 0 HB2 SER A 101 8.268 6.926 -3.195 1.00 71.11 H new ATOM 0 HB3 SER A 101 7.019 5.731 -2.907 1.00 71.11 H new ATOM 0 HG SER A 101 7.099 6.098 -0.783 1.00 63.21 H new ATOM 1651 N LEU A 102 7.706 2.926 -2.414 1.00 52.32 N ATOM 1652 CA LEU A 102 7.127 1.766 -1.719 1.00 62.25 C ATOM 1653 C LEU A 102 8.113 0.584 -1.731 1.00 13.34 C ATOM 1654 O LEU A 102 8.173 -0.183 -0.767 1.00 53.22 O ATOM 1655 CB LEU A 102 5.748 1.365 -2.336 1.00 4.10 C ATOM 1656 CG LEU A 102 4.633 1.041 -1.295 1.00 4.13 C ATOM 1657 CD1 LEU A 102 4.274 2.292 -0.480 1.00 43.23 C ATOM 1658 CD2 LEU A 102 3.392 0.433 -1.956 1.00 33.33 C ATOM 0 H LEU A 102 7.377 3.039 -3.373 1.00 52.32 H new ATOM 0 HA LEU A 102 6.947 2.046 -0.681 1.00 62.25 H new ATOM 0 HB2 LEU A 102 5.403 2.177 -2.976 1.00 4.10 H new ATOM 0 HB3 LEU A 102 5.892 0.494 -2.976 1.00 4.10 H new ATOM 0 HG LEU A 102 5.028 0.289 -0.612 1.00 4.13 H new ATOM 0 HD11 LEU A 102 3.494 2.045 0.241 1.00 43.23 H new ATOM 0 HD12 LEU A 102 5.158 2.648 0.049 1.00 43.23 H new ATOM 0 HD13 LEU A 102 3.914 3.072 -1.151 1.00 43.23 H new ATOM 0 HD21 LEU A 102 2.641 0.223 -1.195 1.00 33.33 H new ATOM 0 HD22 LEU A 102 2.985 1.136 -2.683 1.00 33.33 H new ATOM 0 HD23 LEU A 102 3.666 -0.493 -2.461 1.00 33.33 H new ATOM 1670 N ASN A 103 8.883 0.455 -2.833 1.00 54.11 N ATOM 1671 CA ASN A 103 9.981 -0.531 -2.936 1.00 2.52 C ATOM 1672 C ASN A 103 11.072 -0.213 -1.893 1.00 52.34 C ATOM 1673 O ASN A 103 11.623 -1.121 -1.263 1.00 15.35 O ATOM 1674 CB ASN A 103 10.582 -0.536 -4.368 1.00 1.43 C ATOM 1675 CG ASN A 103 11.764 -1.505 -4.531 1.00 5.21 C ATOM 1676 OD1 ASN A 103 11.587 -2.677 -4.849 1.00 15.32 O ATOM 1677 ND2 ASN A 103 12.980 -1.028 -4.294 1.00 54.41 N ATOM 0 H ASN A 103 8.763 1.026 -3.670 1.00 54.11 H new ATOM 0 HA ASN A 103 9.579 -1.524 -2.735 1.00 2.52 H new ATOM 0 HB2 ASN A 103 9.802 -0.804 -5.080 1.00 1.43 H new ATOM 0 HB3 ASN A 103 10.911 0.472 -4.619 1.00 1.43 H new ATOM 0 HD21 ASN A 103 13.792 -1.639 -4.375 1.00 54.41 H new ATOM 0 HD22 ASN A 103 13.102 -0.050 -4.031 1.00 54.41 H new ATOM 1684 N ASN A 104 11.351 1.093 -1.721 1.00 2.23 N ATOM 1685 CA ASN A 104 12.320 1.585 -0.726 1.00 64.41 C ATOM 1686 C ASN A 104 11.801 1.323 0.688 1.00 55.43 C ATOM 1687 O ASN A 104 12.565 0.912 1.555 1.00 64.20 O ATOM 1688 CB ASN A 104 12.610 3.095 -0.936 1.00 43.54 C ATOM 1689 CG ASN A 104 13.634 3.655 0.063 1.00 34.41 C ATOM 1690 OD1 ASN A 104 14.844 3.532 -0.138 1.00 30.42 O ATOM 1691 ND2 ASN A 104 13.164 4.283 1.135 1.00 71.52 N ATOM 0 H ASN A 104 10.912 1.834 -2.267 1.00 2.23 H new ATOM 0 HA ASN A 104 13.257 1.044 -0.858 1.00 64.41 H new ATOM 0 HB2 ASN A 104 12.978 3.251 -1.950 1.00 43.54 H new ATOM 0 HB3 ASN A 104 11.679 3.654 -0.845 1.00 43.54 H new ATOM 0 HD21 ASN A 104 13.810 4.679 1.818 1.00 71.52 H new ATOM 0 HD22 ASN A 104 12.157 4.369 1.275 1.00 71.52 H new ATOM 1698 N ALA A 105 10.489 1.551 0.897 1.00 12.34 N ATOM 1699 CA ALA A 105 9.830 1.294 2.186 1.00 51.14 C ATOM 1700 C ALA A 105 9.974 -0.187 2.576 1.00 41.42 C ATOM 1701 O ALA A 105 10.340 -0.495 3.711 1.00 35.01 O ATOM 1702 CB ALA A 105 8.351 1.708 2.129 1.00 55.33 C ATOM 0 H ALA A 105 9.863 1.916 0.180 1.00 12.34 H new ATOM 0 HA ALA A 105 10.318 1.896 2.952 1.00 51.14 H new ATOM 0 HB1 ALA A 105 7.880 1.510 3.092 1.00 55.33 H new ATOM 0 HB2 ALA A 105 8.279 2.772 1.902 1.00 55.33 H new ATOM 0 HB3 ALA A 105 7.843 1.136 1.353 1.00 55.33 H new ATOM 1708 N TYR A 106 9.732 -1.082 1.588 1.00 64.54 N ATOM 1709 CA TYR A 106 9.839 -2.542 1.760 1.00 64.04 C ATOM 1710 C TYR A 106 11.271 -2.933 2.156 1.00 72.21 C ATOM 1711 O TYR A 106 11.473 -3.602 3.168 1.00 62.44 O ATOM 1712 CB TYR A 106 9.443 -3.278 0.438 1.00 33.52 C ATOM 1713 CG TYR A 106 9.365 -4.825 0.537 1.00 14.25 C ATOM 1714 CD1 TYR A 106 10.521 -5.618 0.595 1.00 74.00 C ATOM 1715 CD2 TYR A 106 8.143 -5.490 0.574 1.00 15.13 C ATOM 1716 CE1 TYR A 106 10.453 -6.993 0.689 1.00 74.41 C ATOM 1717 CE2 TYR A 106 8.079 -6.871 0.669 1.00 21.35 C ATOM 1718 CZ TYR A 106 9.233 -7.612 0.725 1.00 4.23 C ATOM 1719 OH TYR A 106 9.162 -8.990 0.821 1.00 24.51 O ATOM 0 H TYR A 106 9.456 -0.805 0.646 1.00 64.54 H new ATOM 0 HA TYR A 106 9.155 -2.841 2.554 1.00 64.04 H new ATOM 0 HB2 TYR A 106 8.474 -2.902 0.109 1.00 33.52 H new ATOM 0 HB3 TYR A 106 10.166 -3.016 -0.335 1.00 33.52 H new ATOM 0 HD1 TYR A 106 11.489 -5.140 0.565 1.00 74.00 H new ATOM 0 HD2 TYR A 106 7.227 -4.919 0.528 1.00 15.13 H new ATOM 0 HE1 TYR A 106 11.359 -7.579 0.734 1.00 74.41 H new ATOM 0 HE2 TYR A 106 7.119 -7.365 0.699 1.00 21.35 H new ATOM 0 HH TYR A 106 8.223 -9.269 0.836 1.00 24.51 H new ATOM 1729 N GLY A 107 12.240 -2.511 1.317 1.00 43.14 N ATOM 1730 CA GLY A 107 13.634 -2.944 1.424 1.00 41.43 C ATOM 1731 C GLY A 107 14.298 -2.452 2.694 1.00 43.03 C ATOM 1732 O GLY A 107 14.982 -3.216 3.387 1.00 15.42 O ATOM 0 H GLY A 107 12.070 -1.861 0.549 1.00 43.14 H new ATOM 0 HA2 GLY A 107 13.676 -4.033 1.394 1.00 41.43 H new ATOM 0 HA3 GLY A 107 14.192 -2.579 0.561 1.00 41.43 H new ATOM 1736 N ARG A 108 14.062 -1.172 3.015 1.00 4.22 N ATOM 1737 CA ARG A 108 14.576 -0.542 4.231 1.00 34.03 C ATOM 1738 C ARG A 108 13.923 -1.150 5.488 1.00 64.41 C ATOM 1739 O ARG A 108 14.561 -1.204 6.542 1.00 32.54 O ATOM 1740 CB ARG A 108 14.363 0.998 4.194 1.00 22.23 C ATOM 1741 CG ARG A 108 15.239 1.762 3.172 1.00 72.44 C ATOM 1742 CD ARG A 108 16.744 1.556 3.422 1.00 33.32 C ATOM 1743 NE ARG A 108 17.087 1.798 4.841 1.00 32.53 N ATOM 1744 CZ ARG A 108 18.007 1.125 5.548 1.00 53.24 C ATOM 1745 NH1 ARG A 108 18.724 0.158 5.005 1.00 70.34 N ATOM 1746 NH2 ARG A 108 18.180 1.395 6.825 1.00 52.31 N ATOM 0 H ARG A 108 13.506 -0.545 2.433 1.00 4.22 H new ATOM 0 HA ARG A 108 15.648 -0.736 4.278 1.00 34.03 H new ATOM 0 HB2 ARG A 108 13.315 1.198 3.971 1.00 22.23 H new ATOM 0 HB3 ARG A 108 14.560 1.399 5.188 1.00 22.23 H new ATOM 0 HG2 ARG A 108 14.992 1.429 2.164 1.00 72.44 H new ATOM 0 HG3 ARG A 108 15.007 2.826 3.222 1.00 72.44 H new ATOM 0 HD2 ARG A 108 17.026 0.540 3.145 1.00 33.32 H new ATOM 0 HD3 ARG A 108 17.317 2.231 2.786 1.00 33.32 H new ATOM 0 HE ARG A 108 16.580 2.540 5.323 1.00 32.53 H new ATOM 0 HH11 ARG A 108 18.584 -0.092 4.026 1.00 70.34 H new ATOM 0 HH12 ARG A 108 19.417 -0.338 5.564 1.00 70.34 H new ATOM 0 HH21 ARG A 108 17.615 2.115 7.275 1.00 52.31 H new ATOM 0 HH22 ARG A 108 18.879 0.884 7.364 1.00 52.31 H new ATOM 1760 N LEU A 109 12.633 -1.559 5.377 1.00 62.10 N ATOM 1761 CA LEU A 109 11.905 -2.234 6.481 1.00 31.30 C ATOM 1762 C LEU A 109 12.486 -3.617 6.730 1.00 23.31 C ATOM 1763 O LEU A 109 12.738 -4.003 7.871 1.00 13.44 O ATOM 1764 CB LEU A 109 10.390 -2.304 6.176 1.00 13.32 C ATOM 1765 CG LEU A 109 9.458 -2.839 7.309 1.00 42.14 C ATOM 1766 CD1 LEU A 109 9.571 -2.004 8.603 1.00 5.52 C ATOM 1767 CD2 LEU A 109 8.007 -2.896 6.819 1.00 41.15 C ATOM 0 H LEU A 109 12.076 -1.432 4.532 1.00 62.10 H new ATOM 0 HA LEU A 109 12.030 -1.648 7.391 1.00 31.30 H new ATOM 0 HB2 LEU A 109 10.053 -1.303 5.906 1.00 13.32 H new ATOM 0 HB3 LEU A 109 10.251 -2.935 5.298 1.00 13.32 H new ATOM 0 HG LEU A 109 9.788 -3.848 7.556 1.00 42.14 H new ATOM 0 HD11 LEU A 109 8.904 -2.415 9.361 1.00 5.52 H new ATOM 0 HD12 LEU A 109 10.598 -2.035 8.968 1.00 5.52 H new ATOM 0 HD13 LEU A 109 9.291 -0.971 8.395 1.00 5.52 H new ATOM 0 HD21 LEU A 109 7.368 -3.271 7.618 1.00 41.15 H new ATOM 0 HD22 LEU A 109 7.681 -1.897 6.531 1.00 41.15 H new ATOM 0 HD23 LEU A 109 7.939 -3.561 5.958 1.00 41.15 H new ATOM 1779 N SER A 110 12.750 -4.320 5.623 1.00 34.31 N ATOM 1780 CA SER A 110 13.275 -5.675 5.625 1.00 11.33 C ATOM 1781 C SER A 110 14.721 -5.687 6.156 1.00 55.31 C ATOM 1782 O SER A 110 15.142 -6.667 6.782 1.00 70.11 O ATOM 1783 CB SER A 110 13.196 -6.245 4.192 1.00 34.10 C ATOM 1784 OG SER A 110 13.613 -7.598 4.125 1.00 33.15 O ATOM 0 H SER A 110 12.599 -3.948 4.685 1.00 34.31 H new ATOM 0 HA SER A 110 12.679 -6.304 6.287 1.00 11.33 H new ATOM 0 HB2 SER A 110 12.172 -6.165 3.828 1.00 34.10 H new ATOM 0 HB3 SER A 110 13.818 -5.643 3.530 1.00 34.10 H new ATOM 0 HG SER A 110 13.545 -7.916 3.201 1.00 33.15 H new ATOM 1790 N GLY A 111 15.472 -4.582 5.901 1.00 54.44 N ATOM 1791 CA GLY A 111 16.856 -4.479 6.342 1.00 24.45 C ATOM 1792 C GLY A 111 17.019 -3.877 7.735 1.00 52.23 C ATOM 1793 O GLY A 111 17.471 -4.584 8.649 1.00 73.24 O ATOM 0 H GLY A 111 15.129 -3.765 5.395 1.00 54.44 H new ATOM 0 HA2 GLY A 111 17.305 -5.472 6.331 1.00 24.45 H new ATOM 0 HA3 GLY A 111 17.410 -3.871 5.627 1.00 24.45 H new ATOM 1797 N MET A 112 16.656 -2.580 7.931 1.00 44.21 N ATOM 1798 CA MET A 112 16.677 -1.966 9.284 1.00 41.15 C ATOM 1799 C MET A 112 15.285 -1.956 9.942 1.00 73.42 C ATOM 1800 O MET A 112 15.035 -2.828 10.768 1.00 33.01 O ATOM 1801 CB MET A 112 17.274 -0.525 9.219 1.00 1.41 C ATOM 1802 CG MET A 112 17.203 0.262 10.542 1.00 74.11 C ATOM 1803 SD MET A 112 17.884 -0.659 11.939 1.00 1.15 S ATOM 1804 CE MET A 112 17.092 0.164 13.324 1.00 21.34 C ATOM 0 H MET A 112 16.352 -1.953 7.186 1.00 44.21 H new ATOM 0 HA MET A 112 17.318 -2.584 9.912 1.00 41.15 H new ATOM 0 HB2 MET A 112 18.316 -0.592 8.907 1.00 1.41 H new ATOM 0 HB3 MET A 112 16.747 0.038 8.449 1.00 1.41 H new ATOM 0 HG2 MET A 112 17.746 1.200 10.431 1.00 74.11 H new ATOM 0 HG3 MET A 112 16.165 0.518 10.752 1.00 74.11 H new ATOM 0 HE1 MET A 112 17.417 -0.298 14.256 1.00 21.34 H new ATOM 0 HE2 MET A 112 17.367 1.219 13.326 1.00 21.34 H new ATOM 0 HE3 MET A 112 16.010 0.072 13.232 1.00 21.34 H new ATOM 1814 N LEU A 113 14.359 -1.065 9.438 1.00 34.02 N ATOM 1815 CA LEU A 113 12.990 -0.812 10.010 1.00 4.45 C ATOM 1816 C LEU A 113 12.343 0.415 9.294 1.00 31.35 C ATOM 1817 O LEU A 113 11.840 1.340 9.942 1.00 5.33 O ATOM 1818 CB LEU A 113 12.978 -0.584 11.579 1.00 2.20 C ATOM 1819 CG LEU A 113 12.874 -1.849 12.507 1.00 62.44 C ATOM 1820 CD1 LEU A 113 12.755 -1.457 13.988 1.00 1.22 C ATOM 1821 CD2 LEU A 113 11.725 -2.782 12.068 1.00 4.02 C ATOM 0 H LEU A 113 14.550 -0.497 8.612 1.00 34.02 H new ATOM 0 HA LEU A 113 12.410 -1.718 9.831 1.00 4.45 H new ATOM 0 HB2 LEU A 113 13.889 -0.048 11.846 1.00 2.20 H new ATOM 0 HB3 LEU A 113 12.141 0.073 11.815 1.00 2.20 H new ATOM 0 HG LEU A 113 13.803 -2.409 12.397 1.00 62.44 H new ATOM 0 HD11 LEU A 113 12.685 -2.357 14.598 1.00 1.22 H new ATOM 0 HD12 LEU A 113 13.634 -0.885 14.285 1.00 1.22 H new ATOM 0 HD13 LEU A 113 11.861 -0.850 14.133 1.00 1.22 H new ATOM 0 HD21 LEU A 113 11.683 -3.645 12.732 1.00 4.02 H new ATOM 0 HD22 LEU A 113 10.779 -2.242 12.115 1.00 4.02 H new ATOM 0 HD23 LEU A 113 11.900 -3.118 11.046 1.00 4.02 H new ATOM 1833 N LEU A 114 12.448 0.422 7.950 1.00 31.03 N ATOM 1834 CA LEU A 114 11.780 1.383 7.001 1.00 22.12 C ATOM 1835 C LEU A 114 12.570 2.706 6.892 1.00 21.20 C ATOM 1836 O LEU A 114 12.549 3.376 5.854 1.00 51.35 O ATOM 1837 CB LEU A 114 10.256 1.589 7.344 1.00 20.11 C ATOM 1838 CG LEU A 114 9.250 1.902 6.165 1.00 62.13 C ATOM 1839 CD1 LEU A 114 7.784 1.648 6.601 1.00 45.51 C ATOM 1840 CD2 LEU A 114 9.399 3.346 5.615 1.00 21.13 C ATOM 0 H LEU A 114 13.021 -0.264 7.459 1.00 31.03 H new ATOM 0 HA LEU A 114 11.796 0.936 6.007 1.00 22.12 H new ATOM 0 HB2 LEU A 114 9.905 0.688 7.848 1.00 20.11 H new ATOM 0 HB3 LEU A 114 10.186 2.404 8.064 1.00 20.11 H new ATOM 0 HG LEU A 114 9.507 1.218 5.356 1.00 62.13 H new ATOM 0 HD11 LEU A 114 7.114 1.871 5.771 1.00 45.51 H new ATOM 0 HD12 LEU A 114 7.667 0.604 6.892 1.00 45.51 H new ATOM 0 HD13 LEU A 114 7.540 2.290 7.447 1.00 45.51 H new ATOM 0 HD21 LEU A 114 8.683 3.504 4.808 1.00 21.13 H new ATOM 0 HD22 LEU A 114 9.207 4.061 6.415 1.00 21.13 H new ATOM 0 HD23 LEU A 114 10.411 3.488 5.236 1.00 21.13 H new ATOM 1852 N VAL A 115 13.328 3.021 7.941 1.00 74.44 N ATOM 1853 CA VAL A 115 14.077 4.275 8.055 1.00 44.00 C ATOM 1854 C VAL A 115 15.362 4.206 7.188 1.00 55.30 C ATOM 1855 O VAL A 115 16.075 3.193 7.229 1.00 32.45 O ATOM 1856 CB VAL A 115 14.400 4.556 9.567 1.00 64.21 C ATOM 1857 CG1 VAL A 115 13.087 4.721 10.381 1.00 0.20 C ATOM 1858 CG2 VAL A 115 15.285 3.441 10.182 1.00 14.21 C ATOM 0 H VAL A 115 13.442 2.406 8.747 1.00 74.44 H new ATOM 0 HA VAL A 115 13.477 5.104 7.681 1.00 44.00 H new ATOM 0 HB VAL A 115 14.965 5.487 9.616 1.00 64.21 H new ATOM 0 HG11 VAL A 115 13.329 4.915 11.426 1.00 0.20 H new ATOM 0 HG12 VAL A 115 12.513 5.556 9.980 1.00 0.20 H new ATOM 0 HG13 VAL A 115 12.497 3.807 10.309 1.00 0.20 H new ATOM 0 HG21 VAL A 115 15.486 3.672 11.228 1.00 14.21 H new ATOM 0 HG22 VAL A 115 14.765 2.485 10.115 1.00 14.21 H new ATOM 0 HG23 VAL A 115 16.227 3.381 9.636 1.00 14.21 H new ATOM 1868 N PRO A 116 15.641 5.230 6.318 1.00 64.33 N ATOM 1869 CA PRO A 116 16.875 5.276 5.497 1.00 43.21 C ATOM 1870 C PRO A 116 18.114 5.573 6.376 1.00 54.23 C ATOM 1871 O PRO A 116 18.434 6.738 6.650 1.00 41.04 O ATOM 1872 CB PRO A 116 16.582 6.390 4.443 1.00 2.14 C ATOM 1873 CG PRO A 116 15.108 6.681 4.581 1.00 60.34 C ATOM 1874 CD PRO A 116 14.779 6.404 6.029 1.00 20.15 C ATOM 0 HA PRO A 116 17.113 4.329 5.013 1.00 43.21 H new ATOM 0 HB2 PRO A 116 17.180 7.281 4.634 1.00 2.14 H new ATOM 0 HB3 PRO A 116 16.825 6.053 3.435 1.00 2.14 H new ATOM 0 HG2 PRO A 116 14.885 7.715 4.318 1.00 60.34 H new ATOM 0 HG3 PRO A 116 14.519 6.049 3.916 1.00 60.34 H new ATOM 0 HD2 PRO A 116 15.015 7.252 6.671 1.00 20.15 H new ATOM 0 HD3 PRO A 116 13.722 6.180 6.172 1.00 20.15 H new ATOM 1882 N ASP A 117 18.763 4.491 6.839 1.00 45.32 N ATOM 1883 CA ASP A 117 19.865 4.539 7.810 1.00 41.51 C ATOM 1884 C ASP A 117 20.478 3.136 7.923 1.00 3.31 C ATOM 1885 O ASP A 117 20.004 2.296 8.704 1.00 15.45 O ATOM 1886 CB ASP A 117 19.376 5.050 9.195 1.00 64.24 C ATOM 1887 CG ASP A 117 20.492 5.092 10.255 1.00 2.34 C ATOM 1888 OD1 ASP A 117 21.416 5.918 10.130 1.00 64.11 O ATOM 1889 OD2 ASP A 117 20.446 4.314 11.222 1.00 63.44 O ATOM 0 H ASP A 117 18.531 3.543 6.543 1.00 45.32 H new ATOM 0 HA ASP A 117 20.622 5.243 7.464 1.00 41.51 H new ATOM 0 HB2 ASP A 117 18.956 6.049 9.079 1.00 64.24 H new ATOM 0 HB3 ASP A 117 18.571 4.406 9.549 1.00 64.24 H new ATOM 1894 N ALA A 118 21.458 2.855 7.052 1.00 5.00 N ATOM 1895 CA ALA A 118 22.173 1.565 7.021 1.00 61.34 C ATOM 1896 C ALA A 118 23.275 1.530 8.115 1.00 21.55 C ATOM 1897 O ALA A 118 24.271 2.256 7.994 1.00 1.43 O ATOM 1898 CB ALA A 118 22.771 1.333 5.615 1.00 72.10 C ATOM 0 H ALA A 118 21.780 3.517 6.346 1.00 5.00 H new ATOM 0 HA ALA A 118 21.470 0.759 7.233 1.00 61.34 H new ATOM 0 HB1 ALA A 118 23.298 0.379 5.597 1.00 72.10 H new ATOM 0 HB2 ALA A 118 21.969 1.319 4.876 1.00 72.10 H new ATOM 0 HB3 ALA A 118 23.468 2.137 5.379 1.00 72.10 H new ATOM 1904 N PRO A 119 23.113 0.707 9.205 1.00 21.01 N ATOM 1905 CA PRO A 119 24.097 0.600 10.304 1.00 44.43 C ATOM 1906 C PRO A 119 25.011 -0.644 10.178 1.00 10.00 C ATOM 1907 O PRO A 119 25.652 -1.056 11.154 1.00 11.24 O ATOM 1908 CB PRO A 119 23.149 0.477 11.521 1.00 10.23 C ATOM 1909 CG PRO A 119 21.974 -0.341 11.019 1.00 72.34 C ATOM 1910 CD PRO A 119 21.946 -0.179 9.495 1.00 62.24 C ATOM 0 HA PRO A 119 24.802 1.431 10.343 1.00 44.43 H new ATOM 0 HB2 PRO A 119 23.643 -0.015 12.359 1.00 10.23 H new ATOM 0 HB3 PRO A 119 22.827 1.457 11.872 1.00 10.23 H new ATOM 0 HG2 PRO A 119 22.086 -1.390 11.295 1.00 72.34 H new ATOM 0 HG3 PRO A 119 21.042 0.008 11.463 1.00 72.34 H new ATOM 0 HD2 PRO A 119 22.039 -1.140 8.990 1.00 62.24 H new ATOM 0 HD3 PRO A 119 21.011 0.269 9.158 1.00 62.24 H new ATOM 1918 N GLY A 120 25.086 -1.215 8.959 1.00 71.43 N ATOM 1919 CA GLY A 120 25.710 -2.523 8.740 1.00 24.42 C ATOM 1920 C GLY A 120 24.719 -3.646 9.031 1.00 70.53 C ATOM 1921 O GLY A 120 24.287 -4.368 8.117 1.00 65.10 O ATOM 0 H GLY A 120 24.718 -0.783 8.111 1.00 71.43 H new ATOM 0 HA2 GLY A 120 26.060 -2.597 7.710 1.00 24.42 H new ATOM 0 HA3 GLY A 120 26.585 -2.627 9.382 1.00 24.42 H new ATOM 1925 N ALA A 121 24.357 -3.765 10.315 1.00 15.23 N ATOM 1926 CA ALA A 121 23.285 -4.649 10.802 1.00 62.34 C ATOM 1927 C ALA A 121 22.965 -4.296 12.264 1.00 40.54 C ATOM 1928 O ALA A 121 23.770 -3.639 12.940 1.00 53.35 O ATOM 1929 CB ALA A 121 23.666 -6.142 10.664 1.00 35.32 C ATOM 0 H ALA A 121 24.810 -3.239 11.062 1.00 15.23 H new ATOM 0 HA ALA A 121 22.398 -4.493 10.188 1.00 62.34 H new ATOM 0 HB1 ALA A 121 22.849 -6.762 11.034 1.00 35.32 H new ATOM 0 HB2 ALA A 121 23.852 -6.375 9.615 1.00 35.32 H new ATOM 0 HB3 ALA A 121 24.566 -6.343 11.245 1.00 35.32 H new ATOM 1935 N SER A 122 21.784 -4.715 12.737 1.00 12.33 N ATOM 1936 CA SER A 122 21.365 -4.539 14.138 1.00 14.55 C ATOM 1937 C SER A 122 21.464 -5.905 14.871 1.00 41.04 C ATOM 1938 O SER A 122 20.533 -6.734 14.746 1.00 21.34 O ATOM 1939 CB SER A 122 19.930 -3.959 14.186 1.00 71.31 C ATOM 1940 OG SER A 122 19.820 -2.781 13.402 1.00 4.32 O ATOM 1941 OXT SER A 122 22.495 -6.166 15.529 1.00 37.53 O ATOM 0 H SER A 122 21.089 -5.187 12.159 1.00 12.33 H new ATOM 0 HA SER A 122 22.020 -3.832 14.646 1.00 14.55 H new ATOM 0 HB2 SER A 122 19.222 -4.705 13.825 1.00 71.31 H new ATOM 0 HB3 SER A 122 19.660 -3.737 15.218 1.00 71.31 H new ATOM 0 HG SER A 122 18.874 -2.574 13.254 1.00 4.32 H new TER 1947 SER A 122