USER MOD reduce.3.24.130724 H: found=0, std=0, add=1131, rem=0, adj=31 USER MOD reduce.3.24.130724 removed 1131 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 3 SER OG : rot 180:sc= 0 USER MOD Set 1.2: A 50 LYS NZ :NH3+ 150:sc= 1.04 (180deg=0.53) USER MOD Set 2.1: A 18 SER OG : rot 103:sc= -0.499 USER MOD Set 2.2: A 40 TYR OH : rot 144:sc= 0.697 USER MOD Set 2.3: A 71 THR OG1 : rot -140:sc= 0.24 USER MOD Single : A 1 MET CE :methyl 169:sc= -0.14 (180deg=-0.468) USER MOD Single : A 1 MET N :NH3+ 169:sc= -0.128 (180deg=-0.165) USER MOD Single : A 2 THR OG1 : rot -70:sc= 0.326 USER MOD Single : A 4 THR OG1 : rot 180:sc= 0 USER MOD Single : A 9 ASN : amide:sc= -1.28 K(o=-1.3,f=0) USER MOD Single : A 12 GLN : amide:sc= 0 K(o=0,f=-0.75) USER MOD Single : A 19 GLN : amide:sc= -4.21! K(o=-4.2!,f=-0.6) USER MOD Single : A 20 SER OG : rot 81:sc= 1.19 USER MOD Single : A 26 GLN : amide:sc= -0.854 K(o=-0.85,f=-0.31) USER MOD Single : A 35 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 36 GLN : amide:sc= -0.624 K(o=-0.62,f=-0.014) USER MOD Single : A 39 SER OG : rot 180:sc= 0 USER MOD Single : A 42 GLN : amide:sc= -0.158 X(o=-0.16,f=-0.18) USER MOD Single : A 43 SER OG : rot -9:sc= 0.449 USER MOD Single : A 46 THR OG1 : rot 180:sc= 0 USER MOD Single : A 48 MET CE :methyl -157:sc= -0.269 (180deg=-0.858) USER MOD Single : A 51 GLN : amide:sc= -0.0106 X(o=-0.011,f=-0.00061) USER MOD Single : A 52 THR OG1 : rot 180:sc= 0.0014 USER MOD Single : A 57 THR OG1 : rot 180:sc= 0.0732 USER MOD Single : A 59 SER OG : rot 180:sc= 0 USER MOD Single : A 61 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 63 MET CE :methyl 175:sc= -3.11 (180deg=-3.21) USER MOD Single : A 67 TYR OH : rot 180:sc= 0 USER MOD Single : A 69 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 70 GLN : amide:sc= -0.125 X(o=-0.12,f=-0.027) USER MOD Single : A 74 ASN : amide:sc= -1.34 K(o=-1.3,f=-0.83) USER MOD Single : A 76 GLN : amide:sc= -0.751 K(o=-0.75,f=0) USER MOD Single : A 79 LYS NZ :NH3+ -167:sc= 1.18 (180deg=1.11) USER MOD Single : A 83 GLN : amide:sc= -1.3 K(o=-1.3,f=-0.27) USER MOD Single : A 84 GLN : amide:sc= 0.187 X(o=0.19,f=-0.0042) USER MOD Single : A 90 SER OG : rot 74:sc= 0.9 USER MOD Single : A 91 SER OG : rot 70:sc= 0.645 USER MOD Single : A 95 GLN : amide:sc= -0.0397 X(o=-0.04,f=-0.26) USER MOD Single : A 99 GLN : amide:sc= -0.335 K(o=-0.34,f=-3.4!) USER MOD Single : A 102 SER OG : rot 180:sc= 0 USER MOD Single : A 110 SER OG : rot 49:sc= 0.167 USER MOD Single : A1001 MET CE :methyl 149:sc= -0.421 (180deg=-1.48) USER MOD Single : A1002 THR OG1 : rot -77:sc= 1.12 USER MOD Single : A1003 THR OG1 : rot 87:sc= 0.669 USER MOD Single : A1006 THR OG1 : rot -77:sc= 0.772 USER MOD Single : A1010 THR OG1 : rot 79:sc= 0.505 USER MOD Single : A1014 ASN : amide:sc= -0.0691 X(o=-0.069,f=0) USER MOD Single : A1018 LYS NZ :NH3+ -174:sc= 0 (180deg=-0.0449) USER MOD Single : A1019 MET CE :methyl -176:sc= -4.62! (180deg=-4.69!) USER MOD ----------------------------------------------------------------- ATOM 1 N MET A 1 5.819 -5.185 24.816 1.00 63.43 N ATOM 2 CA MET A 1 5.629 -5.958 23.566 1.00 14.13 C ATOM 3 C MET A 1 4.483 -5.385 22.704 1.00 2.02 C ATOM 4 O MET A 1 4.207 -5.922 21.624 1.00 2.34 O ATOM 5 CB MET A 1 5.406 -7.470 23.892 1.00 33.34 C ATOM 6 CG MET A 1 4.220 -7.789 24.828 1.00 62.14 C ATOM 7 SD MET A 1 2.595 -7.502 24.080 1.00 63.52 S ATOM 8 CE MET A 1 2.579 -8.696 22.741 1.00 33.12 C ATOM 0 H1 MET A 1 6.462 -5.702 25.450 1.00 63.43 H new ATOM 0 H2 MET A 1 6.228 -4.256 24.591 1.00 63.43 H new ATOM 0 H3 MET A 1 4.901 -5.054 25.286 1.00 63.43 H new ATOM 0 HA MET A 1 6.539 -5.868 22.972 1.00 14.13 H new ATOM 0 HB2 MET A 1 5.259 -8.006 22.955 1.00 33.34 H new ATOM 0 HB3 MET A 1 6.317 -7.863 24.344 1.00 33.34 H new ATOM 0 HG2 MET A 1 4.286 -8.831 25.140 1.00 62.14 H new ATOM 0 HG3 MET A 1 4.307 -7.181 25.728 1.00 62.14 H new ATOM 0 HE1 MET A 1 1.573 -8.764 22.326 1.00 33.12 H new ATOM 0 HE2 MET A 1 3.273 -8.379 21.962 1.00 33.12 H new ATOM 0 HE3 MET A 1 2.881 -9.672 23.120 1.00 33.12 H new ATOM 20 N THR A 2 3.822 -4.296 23.175 1.00 11.13 N ATOM 21 CA THR A 2 2.687 -3.687 22.458 1.00 13.34 C ATOM 22 C THR A 2 3.138 -3.134 21.094 1.00 0.44 C ATOM 23 O THR A 2 2.551 -3.478 20.074 1.00 51.41 O ATOM 24 CB THR A 2 1.950 -2.580 23.305 1.00 72.35 C ATOM 25 OG1 THR A 2 0.841 -2.038 22.570 1.00 24.14 O ATOM 26 CG2 THR A 2 2.875 -1.429 23.749 1.00 70.43 C ATOM 0 H THR A 2 4.061 -3.827 24.049 1.00 11.13 H new ATOM 0 HA THR A 2 1.958 -4.480 22.290 1.00 13.34 H new ATOM 0 HB THR A 2 1.600 -3.080 24.208 1.00 72.35 H new ATOM 0 HG1 THR A 2 1.176 -1.504 21.820 1.00 24.14 H new ATOM 0 HG21 THR A 2 2.302 -0.704 24.327 1.00 70.43 H new ATOM 0 HG22 THR A 2 3.682 -1.827 24.364 1.00 70.43 H new ATOM 0 HG23 THR A 2 3.296 -0.941 22.870 1.00 70.43 H new ATOM 34 N SER A 3 4.228 -2.339 21.084 1.00 60.23 N ATOM 35 CA SER A 3 4.762 -1.719 19.864 1.00 23.15 C ATOM 36 C SER A 3 5.201 -2.794 18.853 1.00 12.02 C ATOM 37 O SER A 3 5.036 -2.617 17.655 1.00 14.34 O ATOM 38 CB SER A 3 5.936 -0.786 20.218 1.00 64.42 C ATOM 39 OG SER A 3 5.535 0.200 21.153 1.00 2.01 O ATOM 0 H SER A 3 4.759 -2.112 21.924 1.00 60.23 H new ATOM 0 HA SER A 3 3.974 -1.126 19.399 1.00 23.15 H new ATOM 0 HB2 SER A 3 6.758 -1.370 20.630 1.00 64.42 H new ATOM 0 HB3 SER A 3 6.309 -0.305 19.314 1.00 64.42 H new ATOM 0 HG SER A 3 6.297 0.780 21.364 1.00 2.01 H new ATOM 45 N THR A 4 5.729 -3.915 19.386 1.00 43.04 N ATOM 46 CA THR A 4 6.144 -5.090 18.606 1.00 35.33 C ATOM 47 C THR A 4 4.950 -5.723 17.852 1.00 43.02 C ATOM 48 O THR A 4 4.953 -5.778 16.609 1.00 10.14 O ATOM 49 CB THR A 4 6.817 -6.145 19.560 1.00 42.01 C ATOM 50 OG1 THR A 4 8.005 -5.581 20.135 1.00 15.44 O ATOM 51 CG2 THR A 4 7.165 -7.474 18.862 1.00 25.40 C ATOM 0 H THR A 4 5.880 -4.027 20.389 1.00 43.04 H new ATOM 0 HA THR A 4 6.866 -4.767 17.857 1.00 35.33 H new ATOM 0 HB THR A 4 6.084 -6.380 20.332 1.00 42.01 H new ATOM 0 HG1 THR A 4 8.423 -6.237 20.731 1.00 15.44 H new ATOM 0 HG21 THR A 4 7.625 -8.153 19.580 1.00 25.40 H new ATOM 0 HG22 THR A 4 6.255 -7.926 18.467 1.00 25.40 H new ATOM 0 HG23 THR A 4 7.861 -7.284 18.045 1.00 25.40 H new ATOM 59 N VAL A 5 3.908 -6.145 18.614 1.00 12.13 N ATOM 60 CA VAL A 5 2.757 -6.870 18.047 1.00 53.12 C ATOM 61 C VAL A 5 1.980 -5.977 17.063 1.00 70.31 C ATOM 62 O VAL A 5 1.547 -6.447 16.015 1.00 51.15 O ATOM 63 CB VAL A 5 1.798 -7.443 19.166 1.00 74.43 C ATOM 64 CG1 VAL A 5 1.103 -6.331 19.983 1.00 75.24 C ATOM 65 CG2 VAL A 5 0.757 -8.422 18.568 1.00 72.11 C ATOM 0 H VAL A 5 3.848 -5.992 19.621 1.00 12.13 H new ATOM 0 HA VAL A 5 3.155 -7.725 17.501 1.00 53.12 H new ATOM 0 HB VAL A 5 2.431 -7.996 19.860 1.00 74.43 H new ATOM 0 HG11 VAL A 5 0.457 -6.782 20.736 1.00 75.24 H new ATOM 0 HG12 VAL A 5 1.857 -5.715 20.473 1.00 75.24 H new ATOM 0 HG13 VAL A 5 0.504 -5.710 19.317 1.00 75.24 H new ATOM 0 HG21 VAL A 5 0.113 -8.798 19.363 1.00 72.11 H new ATOM 0 HG22 VAL A 5 0.152 -7.901 17.826 1.00 72.11 H new ATOM 0 HG23 VAL A 5 1.273 -9.257 18.093 1.00 72.11 H new ATOM 75 N GLU A 6 1.861 -4.672 17.396 1.00 41.11 N ATOM 76 CA GLU A 6 1.200 -3.683 16.533 1.00 45.21 C ATOM 77 C GLU A 6 1.957 -3.578 15.206 1.00 74.31 C ATOM 78 O GLU A 6 1.400 -3.899 14.172 1.00 52.30 O ATOM 79 CB GLU A 6 1.121 -2.298 17.223 1.00 30.14 C ATOM 80 CG GLU A 6 0.214 -2.243 18.471 1.00 52.44 C ATOM 81 CD GLU A 6 0.284 -0.887 19.193 1.00 62.00 C ATOM 82 OE1 GLU A 6 -0.615 -0.045 19.002 1.00 63.32 O ATOM 83 OE2 GLU A 6 1.263 -0.650 19.928 1.00 53.13 O ATOM 0 H GLU A 6 2.220 -4.282 18.267 1.00 41.11 H new ATOM 0 HA GLU A 6 0.179 -4.014 16.343 1.00 45.21 H new ATOM 0 HB2 GLU A 6 2.128 -1.994 17.510 1.00 30.14 H new ATOM 0 HB3 GLU A 6 0.761 -1.567 16.498 1.00 30.14 H new ATOM 0 HG2 GLU A 6 -0.816 -2.441 18.176 1.00 52.44 H new ATOM 0 HG3 GLU A 6 0.505 -3.034 19.162 1.00 52.44 H new ATOM 90 N PHE A 7 3.255 -3.213 15.291 1.00 4.13 N ATOM 91 CA PHE A 7 4.151 -2.982 14.128 1.00 21.41 C ATOM 92 C PHE A 7 4.074 -4.136 13.111 1.00 32.43 C ATOM 93 O PHE A 7 3.834 -3.911 11.927 1.00 2.14 O ATOM 94 CB PHE A 7 5.598 -2.824 14.655 1.00 52.33 C ATOM 95 CG PHE A 7 6.630 -2.240 13.697 1.00 74.34 C ATOM 96 CD1 PHE A 7 7.732 -2.987 13.271 1.00 43.22 C ATOM 97 CD2 PHE A 7 6.538 -0.908 13.282 1.00 54.52 C ATOM 98 CE1 PHE A 7 8.701 -2.423 12.465 1.00 71.45 C ATOM 99 CE2 PHE A 7 7.505 -0.348 12.467 1.00 24.31 C ATOM 100 CZ PHE A 7 8.591 -1.105 12.064 1.00 5.11 C ATOM 0 H PHE A 7 3.722 -3.067 16.186 1.00 4.13 H new ATOM 0 HA PHE A 7 3.834 -2.079 13.607 1.00 21.41 H new ATOM 0 HB2 PHE A 7 5.567 -2.193 15.543 1.00 52.33 H new ATOM 0 HB3 PHE A 7 5.950 -3.805 14.973 1.00 52.33 H new ATOM 0 HD1 PHE A 7 7.827 -4.019 13.576 1.00 43.22 H new ATOM 0 HD2 PHE A 7 5.699 -0.308 13.603 1.00 54.52 H new ATOM 0 HE1 PHE A 7 9.547 -3.014 12.147 1.00 71.45 H new ATOM 0 HE2 PHE A 7 7.413 0.679 12.146 1.00 24.31 H new ATOM 0 HZ PHE A 7 9.352 -0.666 11.436 1.00 5.11 H new ATOM 110 N ILE A 8 4.204 -5.373 13.631 1.00 12.34 N ATOM 111 CA ILE A 8 4.209 -6.601 12.819 1.00 53.34 C ATOM 112 C ILE A 8 2.811 -6.885 12.212 1.00 73.42 C ATOM 113 O ILE A 8 2.716 -7.233 11.038 1.00 44.11 O ATOM 114 CB ILE A 8 4.703 -7.816 13.682 1.00 31.31 C ATOM 115 CG1 ILE A 8 6.139 -7.528 14.237 1.00 22.02 C ATOM 116 CG2 ILE A 8 4.672 -9.142 12.879 1.00 54.33 C ATOM 117 CD1 ILE A 8 6.615 -8.487 15.306 1.00 73.51 C ATOM 0 H ILE A 8 4.309 -5.546 14.631 1.00 12.34 H new ATOM 0 HA ILE A 8 4.900 -6.457 11.988 1.00 53.34 H new ATOM 0 HB ILE A 8 4.018 -7.937 14.521 1.00 31.31 H new ATOM 0 HG12 ILE A 8 6.845 -7.553 13.407 1.00 22.02 H new ATOM 0 HG13 ILE A 8 6.160 -6.516 14.642 1.00 22.02 H new ATOM 0 HG21 ILE A 8 5.021 -9.958 13.511 1.00 54.33 H new ATOM 0 HG22 ILE A 8 3.652 -9.346 12.553 1.00 54.33 H new ATOM 0 HG23 ILE A 8 5.321 -9.055 12.008 1.00 54.33 H new ATOM 0 HD11 ILE A 8 7.618 -8.206 15.627 1.00 73.51 H new ATOM 0 HD12 ILE A 8 5.937 -8.447 16.159 1.00 73.51 H new ATOM 0 HD13 ILE A 8 6.633 -9.500 14.904 1.00 73.51 H new ATOM 129 N ASN A 9 1.735 -6.705 13.018 1.00 20.03 N ATOM 130 CA ASN A 9 0.338 -6.956 12.566 1.00 13.35 C ATOM 131 C ASN A 9 -0.148 -5.872 11.590 1.00 71.41 C ATOM 132 O ASN A 9 -1.053 -6.121 10.791 1.00 73.10 O ATOM 133 CB ASN A 9 -0.652 -7.057 13.761 1.00 51.42 C ATOM 134 CG ASN A 9 -0.532 -8.341 14.594 1.00 62.21 C ATOM 135 OD1 ASN A 9 -1.536 -8.861 15.082 1.00 21.43 O ATOM 136 ND2 ASN A 9 0.680 -8.833 14.828 1.00 12.41 N ATOM 0 H ASN A 9 1.805 -6.387 13.985 1.00 20.03 H new ATOM 0 HA ASN A 9 0.356 -7.915 12.048 1.00 13.35 H new ATOM 0 HB2 ASN A 9 -0.496 -6.200 14.417 1.00 51.42 H new ATOM 0 HB3 ASN A 9 -1.670 -6.984 13.378 1.00 51.42 H new ATOM 0 HD21 ASN A 9 0.791 -9.656 15.421 1.00 12.41 H new ATOM 0 HD22 ASN A 9 1.500 -8.388 14.415 1.00 12.41 H new ATOM 143 N ARG A 10 0.454 -4.673 11.683 1.00 65.04 N ATOM 144 CA ARG A 10 0.134 -3.537 10.809 1.00 63.00 C ATOM 145 C ARG A 10 0.801 -3.761 9.452 1.00 51.24 C ATOM 146 O ARG A 10 0.131 -3.687 8.436 1.00 65.41 O ATOM 147 CB ARG A 10 0.580 -2.191 11.452 1.00 61.34 C ATOM 148 CG ARG A 10 -0.224 -1.789 12.712 1.00 3.23 C ATOM 149 CD ARG A 10 0.407 -0.617 13.495 1.00 30.45 C ATOM 150 NE ARG A 10 -0.356 -0.297 14.722 1.00 0.01 N ATOM 151 CZ ARG A 10 -0.362 0.893 15.358 1.00 74.14 C ATOM 152 NH1 ARG A 10 0.359 1.916 14.911 1.00 64.33 N ATOM 153 NH2 ARG A 10 -1.096 1.045 16.451 1.00 13.50 N ATOM 0 H ARG A 10 1.179 -4.467 12.370 1.00 65.04 H new ATOM 0 HA ARG A 10 -0.945 -3.473 10.671 1.00 63.00 H new ATOM 0 HB2 ARG A 10 1.635 -2.260 11.716 1.00 61.34 H new ATOM 0 HB3 ARG A 10 0.488 -1.399 10.709 1.00 61.34 H new ATOM 0 HG2 ARG A 10 -1.236 -1.515 12.416 1.00 3.23 H new ATOM 0 HG3 ARG A 10 -0.308 -2.653 13.371 1.00 3.23 H new ATOM 0 HD2 ARG A 10 1.433 -0.870 13.762 1.00 30.45 H new ATOM 0 HD3 ARG A 10 0.452 0.264 12.855 1.00 30.45 H new ATOM 0 HE ARG A 10 -0.927 -1.041 15.122 1.00 0.01 H new ATOM 0 HH11 ARG A 10 0.930 1.810 14.073 1.00 64.33 H new ATOM 0 HH12 ARG A 10 0.341 2.808 15.406 1.00 64.33 H new ATOM 0 HH21 ARG A 10 -1.651 0.266 16.805 1.00 13.50 H new ATOM 0 HH22 ARG A 10 -1.106 1.941 16.938 1.00 13.50 H new ATOM 167 N TRP A 11 2.116 -4.087 9.459 1.00 11.32 N ATOM 168 CA TRP A 11 2.860 -4.462 8.230 1.00 71.44 C ATOM 169 C TRP A 11 2.216 -5.683 7.546 1.00 60.11 C ATOM 170 O TRP A 11 2.162 -5.750 6.314 1.00 15.04 O ATOM 171 CB TRP A 11 4.360 -4.760 8.527 1.00 63.10 C ATOM 172 CG TRP A 11 5.218 -3.531 8.707 1.00 41.31 C ATOM 173 CD1 TRP A 11 5.908 -3.160 9.820 1.00 11.34 C ATOM 174 CD2 TRP A 11 5.470 -2.505 7.729 1.00 73.51 C ATOM 175 NE1 TRP A 11 6.568 -1.985 9.597 1.00 63.14 N ATOM 176 CE2 TRP A 11 6.320 -1.561 8.327 1.00 4.03 C ATOM 177 CE3 TRP A 11 5.066 -2.303 6.407 1.00 44.30 C ATOM 178 CZ2 TRP A 11 6.763 -0.425 7.662 1.00 63.35 C ATOM 179 CZ3 TRP A 11 5.504 -1.177 5.747 1.00 23.04 C ATOM 180 CH2 TRP A 11 6.344 -0.249 6.376 1.00 20.45 C ATOM 0 H TRP A 11 2.686 -4.098 10.305 1.00 11.32 H new ATOM 0 HA TRP A 11 2.809 -3.606 7.557 1.00 71.44 H new ATOM 0 HB2 TRP A 11 4.425 -5.368 9.429 1.00 63.10 H new ATOM 0 HB3 TRP A 11 4.768 -5.356 7.711 1.00 63.10 H new ATOM 0 HD1 TRP A 11 5.930 -3.715 10.746 1.00 11.34 H new ATOM 0 HE1 TRP A 11 7.155 -1.501 10.276 1.00 63.14 H new ATOM 0 HE3 TRP A 11 4.423 -3.016 5.913 1.00 44.30 H new ATOM 0 HZ2 TRP A 11 7.413 0.290 8.144 1.00 63.35 H new ATOM 0 HZ3 TRP A 11 5.195 -1.006 4.726 1.00 23.04 H new ATOM 0 HH2 TRP A 11 6.667 0.625 5.830 1.00 20.45 H new ATOM 191 N GLN A 12 1.745 -6.637 8.374 1.00 12.31 N ATOM 192 CA GLN A 12 1.025 -7.833 7.914 1.00 74.21 C ATOM 193 C GLN A 12 -0.254 -7.423 7.186 1.00 0.40 C ATOM 194 O GLN A 12 -0.484 -7.850 6.064 1.00 2.40 O ATOM 195 CB GLN A 12 0.681 -8.747 9.116 1.00 13.22 C ATOM 196 CG GLN A 12 -0.043 -10.059 8.752 1.00 31.03 C ATOM 197 CD GLN A 12 -0.409 -10.914 9.966 1.00 20.15 C ATOM 198 OE1 GLN A 12 -0.671 -10.400 11.053 1.00 40.31 O ATOM 199 NE2 GLN A 12 -0.438 -12.224 9.794 1.00 25.01 N ATOM 0 H GLN A 12 1.856 -6.595 9.387 1.00 12.31 H new ATOM 0 HA GLN A 12 1.665 -8.386 7.226 1.00 74.21 H new ATOM 0 HB2 GLN A 12 1.604 -8.993 9.642 1.00 13.22 H new ATOM 0 HB3 GLN A 12 0.057 -8.187 9.812 1.00 13.22 H new ATOM 0 HG2 GLN A 12 -0.951 -9.821 8.198 1.00 31.03 H new ATOM 0 HG3 GLN A 12 0.593 -10.642 8.086 1.00 31.03 H new ATOM 0 HE21 GLN A 12 -0.216 -12.624 8.882 1.00 25.01 H new ATOM 0 HE22 GLN A 12 -0.682 -12.835 10.573 1.00 25.01 H new ATOM 208 N ARG A 13 -1.042 -6.552 7.847 1.00 20.45 N ATOM 209 CA ARG A 13 -2.318 -6.034 7.330 1.00 30.33 C ATOM 210 C ARG A 13 -2.126 -5.334 5.969 1.00 43.52 C ATOM 211 O ARG A 13 -2.898 -5.559 5.048 1.00 52.24 O ATOM 212 CB ARG A 13 -2.934 -5.048 8.361 1.00 43.12 C ATOM 213 CG ARG A 13 -4.295 -4.438 7.960 1.00 52.11 C ATOM 214 CD ARG A 13 -5.411 -5.486 7.845 1.00 22.34 C ATOM 215 NE ARG A 13 -5.626 -6.206 9.115 1.00 73.13 N ATOM 216 CZ ARG A 13 -6.697 -6.966 9.410 1.00 60.52 C ATOM 217 NH1 ARG A 13 -7.694 -7.123 8.535 1.00 2.24 N ATOM 218 NH2 ARG A 13 -6.764 -7.566 10.597 1.00 43.34 N ATOM 0 H ARG A 13 -0.804 -6.185 8.768 1.00 20.45 H new ATOM 0 HA ARG A 13 -2.997 -6.873 7.179 1.00 30.33 H new ATOM 0 HB2 ARG A 13 -3.054 -5.569 9.311 1.00 43.12 H new ATOM 0 HB3 ARG A 13 -2.226 -4.236 8.530 1.00 43.12 H new ATOM 0 HG2 ARG A 13 -4.582 -3.688 8.697 1.00 52.11 H new ATOM 0 HG3 ARG A 13 -4.189 -3.922 7.006 1.00 52.11 H new ATOM 0 HD2 ARG A 13 -6.338 -4.997 7.544 1.00 22.34 H new ATOM 0 HD3 ARG A 13 -5.158 -6.200 7.062 1.00 22.34 H new ATOM 0 HE ARG A 13 -4.903 -6.121 9.829 1.00 73.13 H new ATOM 0 HH11 ARG A 13 -7.652 -6.663 7.626 1.00 2.24 H new ATOM 0 HH12 ARG A 13 -8.498 -7.703 8.776 1.00 2.24 H new ATOM 0 HH21 ARG A 13 -6.008 -7.447 11.272 1.00 43.34 H new ATOM 0 HH22 ARG A 13 -7.571 -8.144 10.831 1.00 43.34 H new ATOM 232 N ILE A 14 -1.069 -4.514 5.879 1.00 3.24 N ATOM 233 CA ILE A 14 -0.723 -3.732 4.678 1.00 61.44 C ATOM 234 C ILE A 14 -0.250 -4.658 3.546 1.00 73.03 C ATOM 235 O ILE A 14 -0.561 -4.418 2.390 1.00 62.14 O ATOM 236 CB ILE A 14 0.391 -2.673 5.023 1.00 20.44 C ATOM 237 CG1 ILE A 14 -0.112 -1.702 6.125 1.00 71.20 C ATOM 238 CG2 ILE A 14 0.856 -1.875 3.785 1.00 2.20 C ATOM 239 CD1 ILE A 14 0.963 -0.815 6.700 1.00 1.02 C ATOM 0 H ILE A 14 -0.418 -4.372 6.651 1.00 3.24 H new ATOM 0 HA ILE A 14 -1.615 -3.205 4.338 1.00 61.44 H new ATOM 0 HB ILE A 14 1.254 -3.228 5.390 1.00 20.44 H new ATOM 0 HG12 ILE A 14 -0.902 -1.076 5.710 1.00 71.20 H new ATOM 0 HG13 ILE A 14 -0.558 -2.284 6.931 1.00 71.20 H new ATOM 0 HG21 ILE A 14 1.624 -1.160 4.080 1.00 2.20 H new ATOM 0 HG22 ILE A 14 1.265 -2.561 3.043 1.00 2.20 H new ATOM 0 HG23 ILE A 14 0.008 -1.341 3.357 1.00 2.20 H new ATOM 0 HD11 ILE A 14 0.531 -0.167 7.463 1.00 1.02 H new ATOM 0 HD12 ILE A 14 1.743 -1.432 7.147 1.00 1.02 H new ATOM 0 HD13 ILE A 14 1.394 -0.204 5.907 1.00 1.02 H new ATOM 251 N ALA A 15 0.483 -5.727 3.905 1.00 41.42 N ATOM 252 CA ALA A 15 0.956 -6.736 2.942 1.00 4.01 C ATOM 253 C ALA A 15 -0.235 -7.489 2.323 1.00 43.34 C ATOM 254 O ALA A 15 -0.290 -7.688 1.102 1.00 14.14 O ATOM 255 CB ALA A 15 1.916 -7.712 3.635 1.00 40.01 C ATOM 0 H ALA A 15 0.763 -5.915 4.868 1.00 41.42 H new ATOM 0 HA ALA A 15 1.493 -6.233 2.138 1.00 4.01 H new ATOM 0 HB1 ALA A 15 2.261 -8.455 2.916 1.00 40.01 H new ATOM 0 HB2 ALA A 15 2.771 -7.163 4.029 1.00 40.01 H new ATOM 0 HB3 ALA A 15 1.398 -8.212 4.453 1.00 40.01 H new ATOM 261 N LEU A 16 -1.192 -7.859 3.201 1.00 11.34 N ATOM 262 CA LEU A 16 -2.434 -8.554 2.835 1.00 22.41 C ATOM 263 C LEU A 16 -3.300 -7.661 1.930 1.00 43.02 C ATOM 264 O LEU A 16 -3.752 -8.099 0.877 1.00 1.45 O ATOM 265 CB LEU A 16 -3.210 -8.962 4.123 1.00 42.12 C ATOM 266 CG LEU A 16 -2.495 -9.998 5.056 1.00 61.52 C ATOM 267 CD1 LEU A 16 -3.274 -10.211 6.375 1.00 72.45 C ATOM 268 CD2 LEU A 16 -2.247 -11.332 4.322 1.00 55.11 C ATOM 0 H LEU A 16 -1.117 -7.677 4.202 1.00 11.34 H new ATOM 0 HA LEU A 16 -2.187 -9.458 2.278 1.00 22.41 H new ATOM 0 HB2 LEU A 16 -3.413 -8.061 4.702 1.00 42.12 H new ATOM 0 HB3 LEU A 16 -4.174 -9.375 3.827 1.00 42.12 H new ATOM 0 HG LEU A 16 -1.523 -9.583 5.322 1.00 61.52 H new ATOM 0 HD11 LEU A 16 -2.747 -10.936 6.996 1.00 72.45 H new ATOM 0 HD12 LEU A 16 -3.351 -9.264 6.909 1.00 72.45 H new ATOM 0 HD13 LEU A 16 -4.274 -10.583 6.151 1.00 72.45 H new ATOM 0 HD21 LEU A 16 -1.750 -12.031 4.995 1.00 55.11 H new ATOM 0 HD22 LEU A 16 -3.200 -11.753 4.001 1.00 55.11 H new ATOM 0 HD23 LEU A 16 -1.616 -11.156 3.451 1.00 55.11 H new ATOM 280 N LEU A 17 -3.469 -6.389 2.342 1.00 23.55 N ATOM 281 CA LEU A 17 -4.234 -5.379 1.587 1.00 41.34 C ATOM 282 C LEU A 17 -3.573 -5.103 0.229 1.00 63.23 C ATOM 283 O LEU A 17 -4.256 -5.060 -0.774 1.00 12.14 O ATOM 284 CB LEU A 17 -4.367 -4.057 2.405 1.00 0.54 C ATOM 285 CG LEU A 17 -5.359 -4.089 3.612 1.00 71.15 C ATOM 286 CD1 LEU A 17 -5.211 -2.831 4.496 1.00 23.41 C ATOM 287 CD2 LEU A 17 -6.815 -4.253 3.119 1.00 34.42 C ATOM 0 H LEU A 17 -3.076 -6.032 3.213 1.00 23.55 H new ATOM 0 HA LEU A 17 -5.234 -5.775 1.411 1.00 41.34 H new ATOM 0 HB2 LEU A 17 -3.380 -3.785 2.780 1.00 0.54 H new ATOM 0 HB3 LEU A 17 -4.679 -3.264 1.726 1.00 0.54 H new ATOM 0 HG LEU A 17 -5.109 -4.953 4.227 1.00 71.15 H new ATOM 0 HD11 LEU A 17 -5.915 -2.885 5.326 1.00 23.41 H new ATOM 0 HD12 LEU A 17 -4.194 -2.777 4.885 1.00 23.41 H new ATOM 0 HD13 LEU A 17 -5.419 -1.942 3.901 1.00 23.41 H new ATOM 0 HD21 LEU A 17 -7.489 -4.273 3.975 1.00 34.42 H new ATOM 0 HD22 LEU A 17 -7.076 -3.416 2.471 1.00 34.42 H new ATOM 0 HD23 LEU A 17 -6.908 -5.186 2.562 1.00 34.42 H new ATOM 299 N SER A 18 -2.239 -4.987 0.215 1.00 44.22 N ATOM 300 CA SER A 18 -1.473 -4.602 -0.987 1.00 20.53 C ATOM 301 C SER A 18 -1.573 -5.687 -2.067 1.00 65.44 C ATOM 302 O SER A 18 -1.825 -5.380 -3.241 1.00 2.44 O ATOM 303 CB SER A 18 0.005 -4.331 -0.621 1.00 60.53 C ATOM 304 OG SER A 18 0.695 -3.667 -1.666 1.00 22.31 O ATOM 0 H SER A 18 -1.656 -5.157 1.035 1.00 44.22 H new ATOM 0 HA SER A 18 -1.903 -3.684 -1.388 1.00 20.53 H new ATOM 0 HB2 SER A 18 0.050 -3.727 0.285 1.00 60.53 H new ATOM 0 HB3 SER A 18 0.503 -5.275 -0.399 1.00 60.53 H new ATOM 0 HG SER A 18 0.796 -2.719 -1.441 1.00 22.31 H new ATOM 310 N GLN A 19 -1.395 -6.960 -1.652 1.00 1.25 N ATOM 311 CA GLN A 19 -1.470 -8.103 -2.578 1.00 32.13 C ATOM 312 C GLN A 19 -2.916 -8.339 -3.038 1.00 4.34 C ATOM 313 O GLN A 19 -3.126 -8.686 -4.193 1.00 22.25 O ATOM 314 CB GLN A 19 -0.854 -9.390 -1.963 1.00 22.22 C ATOM 315 CG GLN A 19 -1.620 -9.985 -0.767 1.00 61.03 C ATOM 316 CD GLN A 19 -0.970 -11.231 -0.165 1.00 62.50 C ATOM 317 OE1 GLN A 19 -0.292 -11.997 -0.848 1.00 72.24 O ATOM 318 NE2 GLN A 19 -1.202 -11.458 1.113 1.00 73.23 N ATOM 0 H GLN A 19 -1.199 -7.218 -0.685 1.00 1.25 H new ATOM 0 HA GLN A 19 -0.872 -7.854 -3.455 1.00 32.13 H new ATOM 0 HB2 GLN A 19 -0.787 -10.148 -2.743 1.00 22.22 H new ATOM 0 HB3 GLN A 19 0.165 -9.168 -1.646 1.00 22.22 H new ATOM 0 HG2 GLN A 19 -1.708 -9.224 0.008 1.00 61.03 H new ATOM 0 HG3 GLN A 19 -2.632 -10.235 -1.086 1.00 61.03 H new ATOM 0 HE21 GLN A 19 -1.768 -10.803 1.653 1.00 73.23 H new ATOM 0 HE22 GLN A 19 -0.815 -12.288 1.562 1.00 73.23 H new ATOM 327 N SER A 20 -3.906 -8.104 -2.136 1.00 21.42 N ATOM 328 CA SER A 20 -5.335 -8.222 -2.480 1.00 73.13 C ATOM 329 C SER A 20 -5.699 -7.206 -3.567 1.00 54.53 C ATOM 330 O SER A 20 -6.176 -7.585 -4.627 1.00 51.24 O ATOM 331 CB SER A 20 -6.239 -8.018 -1.242 1.00 55.02 C ATOM 332 OG SER A 20 -6.051 -9.050 -0.290 1.00 12.31 O ATOM 0 H SER A 20 -3.733 -7.832 -1.168 1.00 21.42 H new ATOM 0 HA SER A 20 -5.504 -9.232 -2.854 1.00 73.13 H new ATOM 0 HB2 SER A 20 -6.019 -7.054 -0.784 1.00 55.02 H new ATOM 0 HB3 SER A 20 -7.284 -7.993 -1.552 1.00 55.02 H new ATOM 0 HG SER A 20 -5.252 -8.860 0.245 1.00 12.31 H new ATOM 338 N LEU A 21 -5.399 -5.923 -3.287 1.00 60.02 N ATOM 339 CA LEU A 21 -5.649 -4.788 -4.189 1.00 33.14 C ATOM 340 C LEU A 21 -4.914 -4.967 -5.524 1.00 31.11 C ATOM 341 O LEU A 21 -5.408 -4.529 -6.559 1.00 13.32 O ATOM 342 CB LEU A 21 -5.221 -3.456 -3.502 1.00 60.33 C ATOM 343 CG LEU A 21 -6.062 -3.052 -2.250 1.00 4.11 C ATOM 344 CD1 LEU A 21 -5.447 -1.848 -1.506 1.00 65.14 C ATOM 345 CD2 LEU A 21 -7.517 -2.788 -2.647 1.00 73.40 C ATOM 0 H LEU A 21 -4.966 -5.643 -2.407 1.00 60.02 H new ATOM 0 HA LEU A 21 -6.717 -4.749 -4.402 1.00 33.14 H new ATOM 0 HB2 LEU A 21 -4.175 -3.539 -3.206 1.00 60.33 H new ATOM 0 HB3 LEU A 21 -5.282 -2.652 -4.235 1.00 60.33 H new ATOM 0 HG LEU A 21 -6.046 -3.889 -1.552 1.00 4.11 H new ATOM 0 HD11 LEU A 21 -6.064 -1.601 -0.642 1.00 65.14 H new ATOM 0 HD12 LEU A 21 -4.441 -2.102 -1.173 1.00 65.14 H new ATOM 0 HD13 LEU A 21 -5.402 -0.990 -2.177 1.00 65.14 H new ATOM 0 HD21 LEU A 21 -8.090 -2.508 -1.763 1.00 73.40 H new ATOM 0 HD22 LEU A 21 -7.554 -1.978 -3.376 1.00 73.40 H new ATOM 0 HD23 LEU A 21 -7.944 -3.690 -3.085 1.00 73.40 H new ATOM 357 N LEU A 22 -3.736 -5.624 -5.481 1.00 12.15 N ATOM 358 CA LEU A 22 -2.945 -5.932 -6.682 1.00 12.41 C ATOM 359 C LEU A 22 -3.679 -6.935 -7.586 1.00 51.43 C ATOM 360 O LEU A 22 -3.836 -6.690 -8.790 1.00 51.02 O ATOM 361 CB LEU A 22 -1.558 -6.500 -6.301 1.00 2.11 C ATOM 362 CG LEU A 22 -0.672 -6.914 -7.511 1.00 43.33 C ATOM 363 CD1 LEU A 22 -0.446 -5.715 -8.454 1.00 30.52 C ATOM 364 CD2 LEU A 22 0.650 -7.549 -7.050 1.00 44.52 C ATOM 0 H LEU A 22 -3.311 -5.953 -4.614 1.00 12.15 H new ATOM 0 HA LEU A 22 -2.809 -4.999 -7.229 1.00 12.41 H new ATOM 0 HB2 LEU A 22 -1.023 -5.753 -5.715 1.00 2.11 H new ATOM 0 HB3 LEU A 22 -1.700 -7.368 -5.658 1.00 2.11 H new ATOM 0 HG LEU A 22 -1.203 -7.680 -8.077 1.00 43.33 H new ATOM 0 HD11 LEU A 22 0.176 -6.025 -9.294 1.00 30.52 H new ATOM 0 HD12 LEU A 22 -1.407 -5.358 -8.826 1.00 30.52 H new ATOM 0 HD13 LEU A 22 0.053 -4.913 -7.910 1.00 30.52 H new ATOM 0 HD21 LEU A 22 1.244 -7.826 -7.921 1.00 44.52 H new ATOM 0 HD22 LEU A 22 1.206 -6.833 -6.445 1.00 44.52 H new ATOM 0 HD23 LEU A 22 0.439 -8.439 -6.457 1.00 44.52 H new ATOM 376 N GLU A 23 -4.102 -8.063 -6.979 1.00 44.22 N ATOM 377 CA GLU A 23 -4.857 -9.130 -7.669 1.00 24.04 C ATOM 378 C GLU A 23 -6.114 -8.539 -8.317 1.00 52.14 C ATOM 379 O GLU A 23 -6.350 -8.712 -9.508 1.00 43.54 O ATOM 380 CB GLU A 23 -5.242 -10.243 -6.656 1.00 15.33 C ATOM 381 CG GLU A 23 -4.041 -11.005 -6.054 1.00 0.13 C ATOM 382 CD GLU A 23 -4.433 -11.876 -4.851 1.00 5.22 C ATOM 383 OE1 GLU A 23 -4.921 -13.010 -5.053 1.00 63.32 O ATOM 384 OE2 GLU A 23 -4.274 -11.431 -3.698 1.00 72.12 O ATOM 0 H GLU A 23 -3.929 -8.260 -5.993 1.00 44.22 H new ATOM 0 HA GLU A 23 -4.233 -9.568 -8.448 1.00 24.04 H new ATOM 0 HB2 GLU A 23 -5.816 -9.795 -5.844 1.00 15.33 H new ATOM 0 HB3 GLU A 23 -5.898 -10.958 -7.153 1.00 15.33 H new ATOM 0 HG2 GLU A 23 -3.594 -11.635 -6.823 1.00 0.13 H new ATOM 0 HG3 GLU A 23 -3.279 -10.289 -5.746 1.00 0.13 H new ATOM 391 N LEU A 24 -6.841 -7.759 -7.501 1.00 72.35 N ATOM 392 CA LEU A 24 -8.093 -7.100 -7.877 1.00 34.33 C ATOM 393 C LEU A 24 -7.870 -6.067 -9.001 1.00 34.31 C ATOM 394 O LEU A 24 -8.715 -5.929 -9.872 1.00 43.32 O ATOM 395 CB LEU A 24 -8.725 -6.434 -6.625 1.00 43.00 C ATOM 396 CG LEU A 24 -9.133 -7.398 -5.466 1.00 3.43 C ATOM 397 CD1 LEU A 24 -9.579 -6.607 -4.221 1.00 32.23 C ATOM 398 CD2 LEU A 24 -10.209 -8.405 -5.915 1.00 21.31 C ATOM 0 H LEU A 24 -6.564 -7.567 -6.538 1.00 72.35 H new ATOM 0 HA LEU A 24 -8.780 -7.852 -8.265 1.00 34.33 H new ATOM 0 HB2 LEU A 24 -8.018 -5.704 -6.231 1.00 43.00 H new ATOM 0 HB3 LEU A 24 -9.611 -5.882 -6.940 1.00 43.00 H new ATOM 0 HG LEU A 24 -8.251 -7.977 -5.192 1.00 3.43 H new ATOM 0 HD11 LEU A 24 -9.858 -7.302 -3.429 1.00 32.23 H new ATOM 0 HD12 LEU A 24 -8.759 -5.976 -3.878 1.00 32.23 H new ATOM 0 HD13 LEU A 24 -10.436 -5.983 -4.474 1.00 32.23 H new ATOM 0 HD21 LEU A 24 -10.467 -9.058 -5.081 1.00 21.31 H new ATOM 0 HD22 LEU A 24 -11.098 -7.866 -6.242 1.00 21.31 H new ATOM 0 HD23 LEU A 24 -9.825 -9.004 -6.740 1.00 21.31 H new ATOM 410 N ALA A 25 -6.718 -5.369 -8.981 1.00 73.23 N ATOM 411 CA ALA A 25 -6.334 -4.411 -10.043 1.00 73.21 C ATOM 412 C ALA A 25 -6.145 -5.139 -11.384 1.00 61.14 C ATOM 413 O ALA A 25 -6.606 -4.676 -12.435 1.00 15.42 O ATOM 414 CB ALA A 25 -5.052 -3.658 -9.652 1.00 51.31 C ATOM 0 H ALA A 25 -6.029 -5.451 -8.234 1.00 73.23 H new ATOM 0 HA ALA A 25 -7.138 -3.684 -10.157 1.00 73.21 H new ATOM 0 HB1 ALA A 25 -4.785 -2.959 -10.444 1.00 51.31 H new ATOM 0 HB2 ALA A 25 -5.220 -3.110 -8.725 1.00 51.31 H new ATOM 0 HB3 ALA A 25 -4.240 -4.371 -9.509 1.00 51.31 H new ATOM 420 N GLN A 26 -5.475 -6.299 -11.309 1.00 70.52 N ATOM 421 CA GLN A 26 -5.244 -7.187 -12.466 1.00 51.32 C ATOM 422 C GLN A 26 -6.550 -7.883 -12.925 1.00 51.31 C ATOM 423 O GLN A 26 -6.644 -8.316 -14.079 1.00 74.13 O ATOM 424 CB GLN A 26 -4.147 -8.224 -12.111 1.00 55.52 C ATOM 425 CG GLN A 26 -2.756 -7.589 -11.877 1.00 74.13 C ATOM 426 CD GLN A 26 -1.655 -8.578 -11.489 1.00 64.30 C ATOM 427 OE1 GLN A 26 -1.715 -9.765 -11.811 1.00 41.11 O ATOM 428 NE2 GLN A 26 -0.607 -8.080 -10.844 1.00 71.20 N ATOM 0 H GLN A 26 -5.075 -6.652 -10.440 1.00 70.52 H new ATOM 0 HA GLN A 26 -4.902 -6.582 -13.305 1.00 51.32 H new ATOM 0 HB2 GLN A 26 -4.446 -8.766 -11.214 1.00 55.52 H new ATOM 0 HB3 GLN A 26 -4.074 -8.955 -12.916 1.00 55.52 H new ATOM 0 HG2 GLN A 26 -2.453 -7.068 -12.785 1.00 74.13 H new ATOM 0 HG3 GLN A 26 -2.843 -6.838 -11.092 1.00 74.13 H new ATOM 0 HE21 GLN A 26 -0.586 -7.092 -10.591 1.00 71.20 H new ATOM 0 HE22 GLN A 26 0.178 -8.685 -10.602 1.00 71.20 H new ATOM 437 N ARG A 27 -7.547 -7.990 -12.021 1.00 23.21 N ATOM 438 CA ARG A 27 -8.888 -8.520 -12.361 1.00 43.42 C ATOM 439 C ARG A 27 -9.791 -7.409 -12.948 1.00 44.42 C ATOM 440 O ARG A 27 -10.709 -7.703 -13.721 1.00 74.03 O ATOM 441 CB ARG A 27 -9.593 -9.148 -11.122 1.00 44.00 C ATOM 442 CG ARG A 27 -8.851 -10.321 -10.440 1.00 20.33 C ATOM 443 CD ARG A 27 -8.495 -11.482 -11.385 1.00 21.03 C ATOM 444 NE ARG A 27 -7.815 -12.581 -10.666 1.00 45.12 N ATOM 445 CZ ARG A 27 -6.923 -13.441 -11.199 1.00 13.31 C ATOM 446 NH1 ARG A 27 -6.563 -13.365 -12.481 1.00 54.34 N ATOM 447 NH2 ARG A 27 -6.422 -14.404 -10.446 1.00 61.02 N ATOM 0 H ARG A 27 -7.449 -7.715 -11.044 1.00 23.21 H new ATOM 0 HA ARG A 27 -8.736 -9.299 -13.108 1.00 43.42 H new ATOM 0 HB2 ARG A 27 -9.749 -8.363 -10.381 1.00 44.00 H new ATOM 0 HB3 ARG A 27 -10.579 -9.497 -11.429 1.00 44.00 H new ATOM 0 HG2 ARG A 27 -7.934 -9.942 -9.988 1.00 20.33 H new ATOM 0 HG3 ARG A 27 -9.471 -10.705 -9.630 1.00 20.33 H new ATOM 0 HD2 ARG A 27 -9.403 -11.861 -11.855 1.00 21.03 H new ATOM 0 HD3 ARG A 27 -7.851 -11.116 -12.185 1.00 21.03 H new ATOM 0 HE ARG A 27 -8.041 -12.699 -9.678 1.00 45.12 H new ATOM 0 HH11 ARG A 27 -6.964 -12.645 -13.082 1.00 54.34 H new ATOM 0 HH12 ARG A 27 -5.886 -14.027 -12.861 1.00 54.34 H new ATOM 0 HH21 ARG A 27 -6.710 -14.492 -9.472 1.00 61.02 H new ATOM 0 HH22 ARG A 27 -5.747 -15.060 -10.839 1.00 61.02 H new ATOM 461 N GLY A 28 -9.512 -6.136 -12.590 1.00 72.25 N ATOM 462 CA GLY A 28 -10.344 -4.992 -13.004 1.00 1.13 C ATOM 463 C GLY A 28 -11.411 -4.599 -11.980 1.00 64.13 C ATOM 464 O GLY A 28 -12.381 -3.912 -12.322 1.00 34.21 O ATOM 0 H GLY A 28 -8.712 -5.878 -12.012 1.00 72.25 H new ATOM 0 HA2 GLY A 28 -9.698 -4.134 -13.189 1.00 1.13 H new ATOM 0 HA3 GLY A 28 -10.832 -5.233 -13.948 1.00 1.13 H new ATOM 468 N GLU A 29 -11.230 -5.045 -10.728 1.00 12.15 N ATOM 469 CA GLU A 29 -12.117 -4.723 -9.589 1.00 52.04 C ATOM 470 C GLU A 29 -11.763 -3.338 -8.991 1.00 72.30 C ATOM 471 O GLU A 29 -11.298 -3.242 -7.846 1.00 23.25 O ATOM 472 CB GLU A 29 -11.989 -5.823 -8.500 1.00 3.54 C ATOM 473 CG GLU A 29 -12.193 -7.270 -8.985 1.00 52.30 C ATOM 474 CD GLU A 29 -13.619 -7.552 -9.483 1.00 24.13 C ATOM 475 OE1 GLU A 29 -14.525 -7.698 -8.643 1.00 41.45 O ATOM 476 OE2 GLU A 29 -13.837 -7.620 -10.708 1.00 11.05 O ATOM 0 H GLU A 29 -10.451 -5.650 -10.469 1.00 12.15 H new ATOM 0 HA GLU A 29 -13.146 -4.687 -9.947 1.00 52.04 H new ATOM 0 HB2 GLU A 29 -11.000 -5.747 -8.048 1.00 3.54 H new ATOM 0 HB3 GLU A 29 -12.716 -5.617 -7.714 1.00 3.54 H new ATOM 0 HG2 GLU A 29 -11.487 -7.478 -9.789 1.00 52.30 H new ATOM 0 HG3 GLU A 29 -11.959 -7.955 -8.170 1.00 52.30 H new ATOM 483 N TRP A 30 -12.014 -2.271 -9.768 1.00 35.15 N ATOM 484 CA TRP A 30 -11.597 -0.891 -9.418 1.00 73.45 C ATOM 485 C TRP A 30 -12.337 -0.372 -8.179 1.00 61.52 C ATOM 486 O TRP A 30 -11.777 0.381 -7.387 1.00 23.22 O ATOM 487 CB TRP A 30 -11.821 0.071 -10.616 1.00 62.24 C ATOM 488 CG TRP A 30 -11.261 -0.458 -11.919 1.00 4.34 C ATOM 489 CD1 TRP A 30 -11.956 -0.725 -13.065 1.00 14.35 C ATOM 490 CD2 TRP A 30 -9.897 -0.828 -12.186 1.00 31.11 C ATOM 491 NE1 TRP A 30 -11.113 -1.227 -14.018 1.00 53.11 N ATOM 492 CE2 TRP A 30 -9.846 -1.294 -13.510 1.00 65.11 C ATOM 493 CE3 TRP A 30 -8.714 -0.797 -11.433 1.00 50.41 C ATOM 494 CZ2 TRP A 30 -8.671 -1.742 -14.095 1.00 45.23 C ATOM 495 CZ3 TRP A 30 -7.546 -1.232 -12.017 1.00 23.15 C ATOM 496 CH2 TRP A 30 -7.535 -1.699 -13.337 1.00 53.41 C ATOM 0 H TRP A 30 -12.511 -2.334 -10.657 1.00 35.15 H new ATOM 0 HA TRP A 30 -10.533 -0.924 -9.184 1.00 73.45 H new ATOM 0 HB2 TRP A 30 -12.890 0.251 -10.734 1.00 62.24 H new ATOM 0 HB3 TRP A 30 -11.358 1.032 -10.393 1.00 62.24 H new ATOM 0 HD1 TRP A 30 -13.015 -0.563 -13.199 1.00 14.35 H new ATOM 0 HE1 TRP A 30 -11.387 -1.507 -14.960 1.00 53.11 H new ATOM 0 HE3 TRP A 30 -8.719 -0.439 -10.414 1.00 50.41 H new ATOM 0 HZ2 TRP A 30 -8.655 -2.110 -15.110 1.00 45.23 H new ATOM 0 HZ3 TRP A 30 -6.627 -1.213 -11.450 1.00 23.15 H new ATOM 0 HH2 TRP A 30 -6.603 -2.034 -13.768 1.00 53.41 H new ATOM 507 N ASP A 31 -13.598 -0.804 -8.029 1.00 11.33 N ATOM 508 CA ASP A 31 -14.453 -0.436 -6.891 1.00 51.22 C ATOM 509 C ASP A 31 -13.885 -0.990 -5.571 1.00 72.25 C ATOM 510 O ASP A 31 -13.895 -0.296 -4.552 1.00 63.25 O ATOM 511 CB ASP A 31 -15.903 -0.942 -7.110 1.00 54.33 C ATOM 512 CG ASP A 31 -16.836 -0.629 -5.921 1.00 31.33 C ATOM 513 OD1 ASP A 31 -17.203 0.549 -5.744 1.00 0.31 O ATOM 514 OD2 ASP A 31 -17.201 -1.556 -5.161 1.00 42.24 O ATOM 0 H ASP A 31 -14.056 -1.423 -8.698 1.00 11.33 H new ATOM 0 HA ASP A 31 -14.471 0.652 -6.823 1.00 51.22 H new ATOM 0 HB2 ASP A 31 -16.309 -0.486 -8.013 1.00 54.33 H new ATOM 0 HB3 ASP A 31 -15.885 -2.019 -7.277 1.00 54.33 H new ATOM 519 N LEU A 32 -13.375 -2.238 -5.609 1.00 51.33 N ATOM 520 CA LEU A 32 -12.776 -2.887 -4.430 1.00 30.12 C ATOM 521 C LEU A 32 -11.465 -2.177 -4.028 1.00 51.12 C ATOM 522 O LEU A 32 -11.126 -2.117 -2.839 1.00 10.11 O ATOM 523 CB LEU A 32 -12.532 -4.395 -4.693 1.00 62.45 C ATOM 524 CG LEU A 32 -13.798 -5.263 -5.000 1.00 61.10 C ATOM 525 CD1 LEU A 32 -13.432 -6.756 -5.114 1.00 63.11 C ATOM 526 CD2 LEU A 32 -14.905 -5.047 -3.950 1.00 51.21 C ATOM 0 H LEU A 32 -13.367 -2.817 -6.449 1.00 51.33 H new ATOM 0 HA LEU A 32 -13.477 -2.802 -3.600 1.00 30.12 H new ATOM 0 HB2 LEU A 32 -11.843 -4.488 -5.532 1.00 62.45 H new ATOM 0 HB3 LEU A 32 -12.032 -4.817 -3.821 1.00 62.45 H new ATOM 0 HG LEU A 32 -14.191 -4.935 -5.962 1.00 61.10 H new ATOM 0 HD11 LEU A 32 -14.330 -7.336 -5.328 1.00 63.11 H new ATOM 0 HD12 LEU A 32 -12.711 -6.893 -5.920 1.00 63.11 H new ATOM 0 HD13 LEU A 32 -12.995 -7.096 -4.175 1.00 63.11 H new ATOM 0 HD21 LEU A 32 -15.767 -5.666 -4.197 1.00 51.21 H new ATOM 0 HD22 LEU A 32 -14.531 -5.323 -2.964 1.00 51.21 H new ATOM 0 HD23 LEU A 32 -15.202 -3.998 -3.944 1.00 51.21 H new ATOM 538 N LEU A 33 -10.736 -1.654 -5.038 1.00 14.30 N ATOM 539 CA LEU A 33 -9.577 -0.760 -4.815 1.00 21.51 C ATOM 540 C LEU A 33 -10.004 0.534 -4.097 1.00 41.13 C ATOM 541 O LEU A 33 -9.400 0.894 -3.097 1.00 1.22 O ATOM 542 CB LEU A 33 -8.811 -0.442 -6.140 1.00 2.21 C ATOM 543 CG LEU A 33 -7.718 -1.476 -6.564 1.00 42.42 C ATOM 544 CD1 LEU A 33 -8.305 -2.868 -6.831 1.00 14.13 C ATOM 545 CD2 LEU A 33 -6.920 -0.970 -7.775 1.00 14.13 C ATOM 0 H LEU A 33 -10.931 -1.837 -6.022 1.00 14.30 H new ATOM 0 HA LEU A 33 -8.883 -1.295 -4.167 1.00 21.51 H new ATOM 0 HB2 LEU A 33 -9.539 -0.361 -6.947 1.00 2.21 H new ATOM 0 HB3 LEU A 33 -8.339 0.535 -6.038 1.00 2.21 H new ATOM 0 HG LEU A 33 -7.033 -1.578 -5.722 1.00 42.42 H new ATOM 0 HD11 LEU A 33 -7.506 -3.550 -7.122 1.00 14.13 H new ATOM 0 HD12 LEU A 33 -8.787 -3.239 -5.927 1.00 14.13 H new ATOM 0 HD13 LEU A 33 -9.039 -2.805 -7.634 1.00 14.13 H new ATOM 0 HD21 LEU A 33 -6.167 -1.709 -8.049 1.00 14.13 H new ATOM 0 HD22 LEU A 33 -7.596 -0.812 -8.616 1.00 14.13 H new ATOM 0 HD23 LEU A 33 -6.431 -0.030 -7.521 1.00 14.13 H new ATOM 557 N LEU A 34 -11.073 1.188 -4.596 1.00 21.43 N ATOM 558 CA LEU A 34 -11.582 2.469 -4.042 1.00 3.20 C ATOM 559 C LEU A 34 -12.176 2.293 -2.622 1.00 41.02 C ATOM 560 O LEU A 34 -12.206 3.248 -1.834 1.00 24.21 O ATOM 561 CB LEU A 34 -12.649 3.071 -5.004 1.00 60.22 C ATOM 562 CG LEU A 34 -12.157 3.416 -6.448 1.00 52.53 C ATOM 563 CD1 LEU A 34 -13.314 3.926 -7.334 1.00 63.25 C ATOM 564 CD2 LEU A 34 -10.982 4.415 -6.423 1.00 60.34 C ATOM 0 H LEU A 34 -11.610 0.847 -5.393 1.00 21.43 H new ATOM 0 HA LEU A 34 -10.739 3.154 -3.956 1.00 3.20 H new ATOM 0 HB2 LEU A 34 -13.477 2.366 -5.083 1.00 60.22 H new ATOM 0 HB3 LEU A 34 -13.046 3.979 -4.551 1.00 60.22 H new ATOM 0 HG LEU A 34 -11.788 2.492 -6.894 1.00 52.53 H new ATOM 0 HD11 LEU A 34 -12.935 4.156 -8.330 1.00 63.25 H new ATOM 0 HD12 LEU A 34 -14.083 3.157 -7.407 1.00 63.25 H new ATOM 0 HD13 LEU A 34 -13.742 4.826 -6.892 1.00 63.25 H new ATOM 0 HD21 LEU A 34 -10.667 4.631 -7.444 1.00 60.34 H new ATOM 0 HD22 LEU A 34 -11.299 5.338 -5.938 1.00 60.34 H new ATOM 0 HD23 LEU A 34 -10.148 3.983 -5.870 1.00 60.34 H new ATOM 576 N GLN A 35 -12.658 1.069 -2.322 1.00 22.21 N ATOM 577 CA GLN A 35 -13.250 0.719 -1.013 1.00 72.43 C ATOM 578 C GLN A 35 -12.146 0.533 0.043 1.00 30.23 C ATOM 579 O GLN A 35 -12.116 1.218 1.063 1.00 43.01 O ATOM 580 CB GLN A 35 -14.074 -0.592 -1.144 1.00 43.01 C ATOM 581 CG GLN A 35 -14.844 -1.020 0.130 1.00 53.42 C ATOM 582 CD GLN A 35 -15.960 -0.043 0.516 1.00 1.13 C ATOM 583 OE1 GLN A 35 -15.758 0.888 1.299 1.00 63.54 O ATOM 584 NE2 GLN A 35 -17.142 -0.241 -0.053 1.00 3.14 N ATOM 0 H GLN A 35 -12.648 0.292 -2.983 1.00 22.21 H new ATOM 0 HA GLN A 35 -13.905 1.531 -0.697 1.00 72.43 H new ATOM 0 HB2 GLN A 35 -14.789 -0.472 -1.958 1.00 43.01 H new ATOM 0 HB3 GLN A 35 -13.399 -1.399 -1.429 1.00 43.01 H new ATOM 0 HG2 GLN A 35 -15.274 -2.009 -0.028 1.00 53.42 H new ATOM 0 HG3 GLN A 35 -14.142 -1.106 0.959 1.00 53.42 H new ATOM 0 HE21 GLN A 35 -17.274 -1.022 -0.696 1.00 3.14 H new ATOM 0 HE22 GLN A 35 -17.919 0.387 0.153 1.00 3.14 H new ATOM 593 N GLN A 36 -11.232 -0.401 -0.245 1.00 3.32 N ATOM 594 CA GLN A 36 -10.109 -0.769 0.638 1.00 5.11 C ATOM 595 C GLN A 36 -8.981 0.286 0.606 1.00 54.12 C ATOM 596 O GLN A 36 -8.029 0.180 1.377 1.00 74.43 O ATOM 597 CB GLN A 36 -9.612 -2.191 0.263 1.00 44.00 C ATOM 598 CG GLN A 36 -10.613 -3.326 0.623 1.00 61.14 C ATOM 599 CD GLN A 36 -10.396 -4.644 -0.140 1.00 75.01 C ATOM 600 OE1 GLN A 36 -10.578 -5.734 0.410 1.00 62.22 O ATOM 601 NE2 GLN A 36 -10.092 -4.566 -1.432 1.00 54.01 N ATOM 0 H GLN A 36 -11.249 -0.935 -1.114 1.00 3.32 H new ATOM 0 HA GLN A 36 -10.456 -0.789 1.671 1.00 5.11 H new ATOM 0 HB2 GLN A 36 -9.411 -2.224 -0.808 1.00 44.00 H new ATOM 0 HB3 GLN A 36 -8.666 -2.380 0.771 1.00 44.00 H new ATOM 0 HG2 GLN A 36 -10.544 -3.526 1.692 1.00 61.14 H new ATOM 0 HG3 GLN A 36 -11.626 -2.973 0.429 1.00 61.14 H new ATOM 0 HE21 GLN A 36 -9.946 -3.655 -1.867 1.00 54.01 H new ATOM 0 HE22 GLN A 36 -10.005 -5.417 -1.988 1.00 54.01 H new ATOM 610 N GLU A 37 -9.076 1.245 -0.345 1.00 13.21 N ATOM 611 CA GLU A 37 -8.206 2.441 -0.431 1.00 53.11 C ATOM 612 C GLU A 37 -8.017 3.110 0.943 1.00 43.31 C ATOM 613 O GLU A 37 -6.878 3.276 1.394 1.00 12.02 O ATOM 614 CB GLU A 37 -8.822 3.458 -1.430 1.00 71.34 C ATOM 615 CG GLU A 37 -8.050 4.779 -1.591 1.00 3.53 C ATOM 616 CD GLU A 37 -8.679 5.698 -2.644 1.00 12.25 C ATOM 617 OE1 GLU A 37 -9.444 6.623 -2.262 1.00 41.51 O ATOM 618 OE2 GLU A 37 -8.435 5.476 -3.857 1.00 34.15 O ATOM 0 H GLU A 37 -9.773 1.208 -1.088 1.00 13.21 H new ATOM 0 HA GLU A 37 -7.225 2.120 -0.781 1.00 53.11 H new ATOM 0 HB2 GLU A 37 -8.898 2.981 -2.407 1.00 71.34 H new ATOM 0 HB3 GLU A 37 -9.838 3.688 -1.108 1.00 71.34 H new ATOM 0 HG2 GLU A 37 -8.018 5.297 -0.633 1.00 3.53 H new ATOM 0 HG3 GLU A 37 -7.019 4.563 -1.871 1.00 3.53 H new ATOM 625 N VAL A 38 -9.149 3.447 1.608 1.00 32.12 N ATOM 626 CA VAL A 38 -9.133 4.088 2.931 1.00 42.02 C ATOM 627 C VAL A 38 -8.373 3.215 3.953 1.00 25.23 C ATOM 628 O VAL A 38 -7.467 3.699 4.613 1.00 24.40 O ATOM 629 CB VAL A 38 -10.587 4.433 3.447 1.00 70.25 C ATOM 630 CG1 VAL A 38 -11.496 3.187 3.534 1.00 2.11 C ATOM 631 CG2 VAL A 38 -10.550 5.183 4.803 1.00 60.51 C ATOM 0 H VAL A 38 -10.086 3.281 1.241 1.00 32.12 H new ATOM 0 HA VAL A 38 -8.603 5.035 2.824 1.00 42.02 H new ATOM 0 HB VAL A 38 -11.024 5.099 2.703 1.00 70.25 H new ATOM 0 HG11 VAL A 38 -12.482 3.481 3.894 1.00 2.11 H new ATOM 0 HG12 VAL A 38 -11.589 2.735 2.546 1.00 2.11 H new ATOM 0 HG13 VAL A 38 -11.059 2.465 4.223 1.00 2.11 H new ATOM 0 HG21 VAL A 38 -11.568 5.403 5.125 1.00 60.51 H new ATOM 0 HG22 VAL A 38 -10.060 4.559 5.550 1.00 60.51 H new ATOM 0 HG23 VAL A 38 -9.996 6.115 4.688 1.00 60.51 H new ATOM 641 N SER A 39 -8.689 1.907 3.979 1.00 72.35 N ATOM 642 CA SER A 39 -8.102 0.953 4.926 1.00 70.15 C ATOM 643 C SER A 39 -6.570 0.842 4.743 1.00 71.13 C ATOM 644 O SER A 39 -5.821 0.806 5.724 1.00 72.15 O ATOM 645 CB SER A 39 -8.771 -0.420 4.735 1.00 1.41 C ATOM 646 OG SER A 39 -10.186 -0.313 4.817 1.00 12.52 O ATOM 0 H SER A 39 -9.362 1.485 3.339 1.00 72.35 H new ATOM 0 HA SER A 39 -8.280 1.311 5.940 1.00 70.15 H new ATOM 0 HB2 SER A 39 -8.490 -0.834 3.767 1.00 1.41 H new ATOM 0 HB3 SER A 39 -8.410 -1.113 5.495 1.00 1.41 H new ATOM 0 HG SER A 39 -10.589 -1.197 4.691 1.00 12.52 H new ATOM 652 N TYR A 40 -6.130 0.845 3.467 1.00 71.25 N ATOM 653 CA TYR A 40 -4.722 0.669 3.079 1.00 32.20 C ATOM 654 C TYR A 40 -3.892 1.903 3.456 1.00 23.12 C ATOM 655 O TYR A 40 -2.852 1.773 4.089 1.00 13.03 O ATOM 656 CB TYR A 40 -4.621 0.378 1.559 1.00 60.32 C ATOM 657 CG TYR A 40 -3.205 0.043 1.051 1.00 54.25 C ATOM 658 CD1 TYR A 40 -2.554 0.844 0.112 1.00 35.13 C ATOM 659 CD2 TYR A 40 -2.527 -1.089 1.500 1.00 53.50 C ATOM 660 CE1 TYR A 40 -1.299 0.522 -0.365 1.00 43.45 C ATOM 661 CE2 TYR A 40 -1.268 -1.404 1.029 1.00 72.53 C ATOM 662 CZ TYR A 40 -0.655 -0.597 0.097 1.00 14.53 C ATOM 663 OH TYR A 40 0.605 -0.918 -0.377 1.00 11.45 O ATOM 0 H TYR A 40 -6.754 0.972 2.670 1.00 71.25 H new ATOM 0 HA TYR A 40 -4.316 -0.183 3.624 1.00 32.20 H new ATOM 0 HB2 TYR A 40 -5.283 -0.454 1.319 1.00 60.32 H new ATOM 0 HB3 TYR A 40 -4.990 1.246 1.013 1.00 60.32 H new ATOM 0 HD1 TYR A 40 -3.043 1.736 -0.250 1.00 35.13 H new ATOM 0 HD2 TYR A 40 -2.995 -1.732 2.230 1.00 53.50 H new ATOM 0 HE1 TYR A 40 -0.824 1.152 -1.103 1.00 43.45 H new ATOM 0 HE2 TYR A 40 -0.762 -2.286 1.393 1.00 72.53 H new ATOM 0 HH TYR A 40 1.140 -1.302 0.349 1.00 11.45 H new ATOM 673 N LEU A 41 -4.390 3.092 3.085 1.00 73.44 N ATOM 674 CA LEU A 41 -3.682 4.367 3.313 1.00 75.12 C ATOM 675 C LEU A 41 -3.645 4.729 4.816 1.00 65.44 C ATOM 676 O LEU A 41 -2.657 5.306 5.295 1.00 11.11 O ATOM 677 CB LEU A 41 -4.340 5.501 2.473 1.00 71.40 C ATOM 678 CG LEU A 41 -4.366 5.282 0.920 1.00 24.53 C ATOM 679 CD1 LEU A 41 -5.029 6.476 0.192 1.00 1.45 C ATOM 680 CD2 LEU A 41 -2.951 4.991 0.363 1.00 70.45 C ATOM 0 H LEU A 41 -5.291 3.200 2.620 1.00 73.44 H new ATOM 0 HA LEU A 41 -2.649 4.251 2.986 1.00 75.12 H new ATOM 0 HB2 LEU A 41 -5.365 5.633 2.818 1.00 71.40 H new ATOM 0 HB3 LEU A 41 -3.812 6.432 2.680 1.00 71.40 H new ATOM 0 HG LEU A 41 -4.978 4.401 0.725 1.00 24.53 H new ATOM 0 HD11 LEU A 41 -5.031 6.292 -0.882 1.00 1.45 H new ATOM 0 HD12 LEU A 41 -6.055 6.591 0.542 1.00 1.45 H new ATOM 0 HD13 LEU A 41 -4.469 7.387 0.403 1.00 1.45 H new ATOM 0 HD21 LEU A 41 -3.008 4.845 -0.716 1.00 70.45 H new ATOM 0 HD22 LEU A 41 -2.294 5.833 0.581 1.00 70.45 H new ATOM 0 HD23 LEU A 41 -2.554 4.090 0.831 1.00 70.45 H new ATOM 692 N GLN A 42 -4.720 4.368 5.551 1.00 62.12 N ATOM 693 CA GLN A 42 -4.808 4.605 7.003 1.00 72.30 C ATOM 694 C GLN A 42 -3.874 3.655 7.772 1.00 1.05 C ATOM 695 O GLN A 42 -3.231 4.090 8.722 1.00 73.32 O ATOM 696 CB GLN A 42 -6.270 4.477 7.517 1.00 44.52 C ATOM 697 CG GLN A 42 -7.241 5.574 7.009 1.00 43.32 C ATOM 698 CD GLN A 42 -6.799 6.991 7.364 1.00 13.43 C ATOM 699 OE1 GLN A 42 -6.089 7.654 6.600 1.00 41.21 O ATOM 700 NE2 GLN A 42 -7.209 7.465 8.531 1.00 65.21 N ATOM 0 H GLN A 42 -5.541 3.909 5.157 1.00 62.12 H new ATOM 0 HA GLN A 42 -4.483 5.629 7.187 1.00 72.30 H new ATOM 0 HB2 GLN A 42 -6.659 3.503 7.221 1.00 44.52 H new ATOM 0 HB3 GLN A 42 -6.259 4.498 8.607 1.00 44.52 H new ATOM 0 HG2 GLN A 42 -7.335 5.492 5.926 1.00 43.32 H new ATOM 0 HG3 GLN A 42 -8.231 5.395 7.429 1.00 43.32 H new ATOM 0 HE21 GLN A 42 -7.794 6.891 9.137 1.00 65.21 H new ATOM 0 HE22 GLN A 42 -6.939 8.404 8.823 1.00 65.21 H new ATOM 709 N SER A 43 -3.801 2.367 7.354 1.00 55.51 N ATOM 710 CA SER A 43 -2.889 1.376 7.975 1.00 1.34 C ATOM 711 C SER A 43 -1.411 1.733 7.702 1.00 60.55 C ATOM 712 O SER A 43 -0.554 1.512 8.560 1.00 45.43 O ATOM 713 CB SER A 43 -3.209 -0.060 7.498 1.00 24.42 C ATOM 714 OG SER A 43 -3.107 -0.193 6.091 1.00 13.01 O ATOM 0 H SER A 43 -4.363 1.991 6.590 1.00 55.51 H new ATOM 0 HA SER A 43 -3.050 1.411 9.053 1.00 1.34 H new ATOM 0 HB2 SER A 43 -2.526 -0.761 7.978 1.00 24.42 H new ATOM 0 HB3 SER A 43 -4.217 -0.330 7.814 1.00 24.42 H new ATOM 0 HG SER A 43 -2.999 0.693 5.686 1.00 13.01 H new ATOM 720 N ILE A 44 -1.147 2.276 6.494 1.00 31.34 N ATOM 721 CA ILE A 44 0.160 2.848 6.090 1.00 30.41 C ATOM 722 C ILE A 44 0.575 3.982 7.052 1.00 22.12 C ATOM 723 O ILE A 44 1.677 3.968 7.635 1.00 32.54 O ATOM 724 CB ILE A 44 0.070 3.374 4.588 1.00 24.43 C ATOM 725 CG1 ILE A 44 0.260 2.193 3.580 1.00 31.44 C ATOM 726 CG2 ILE A 44 1.036 4.550 4.284 1.00 73.44 C ATOM 727 CD1 ILE A 44 0.096 2.563 2.114 1.00 23.11 C ATOM 0 H ILE A 44 -1.849 2.331 5.756 1.00 31.34 H new ATOM 0 HA ILE A 44 0.924 2.073 6.143 1.00 30.41 H new ATOM 0 HB ILE A 44 -0.932 3.784 4.460 1.00 24.43 H new ATOM 0 HG12 ILE A 44 1.255 1.770 3.723 1.00 31.44 H new ATOM 0 HG13 ILE A 44 -0.457 1.409 3.823 1.00 31.44 H new ATOM 0 HG21 ILE A 44 0.921 4.856 3.244 1.00 73.44 H new ATOM 0 HG22 ILE A 44 0.803 5.390 4.938 1.00 73.44 H new ATOM 0 HG23 ILE A 44 2.064 4.230 4.456 1.00 73.44 H new ATOM 0 HD11 ILE A 44 0.247 1.678 1.496 1.00 23.11 H new ATOM 0 HD12 ILE A 44 -0.907 2.955 1.948 1.00 23.11 H new ATOM 0 HD13 ILE A 44 0.831 3.322 1.846 1.00 23.11 H new ATOM 739 N GLU A 45 -0.358 4.926 7.235 1.00 52.41 N ATOM 740 CA GLU A 45 -0.156 6.126 8.058 1.00 44.42 C ATOM 741 C GLU A 45 0.066 5.711 9.532 1.00 50.51 C ATOM 742 O GLU A 45 0.896 6.278 10.243 1.00 32.21 O ATOM 743 CB GLU A 45 -1.401 7.046 7.905 1.00 73.03 C ATOM 744 CG GLU A 45 -1.295 8.426 8.581 1.00 54.53 C ATOM 745 CD GLU A 45 -0.284 9.374 7.911 1.00 1.24 C ATOM 746 OE1 GLU A 45 -0.689 10.199 7.054 1.00 3.13 O ATOM 747 OE2 GLU A 45 0.924 9.294 8.231 1.00 21.00 O ATOM 0 H GLU A 45 -1.284 4.877 6.811 1.00 52.41 H new ATOM 0 HA GLU A 45 0.727 6.675 7.731 1.00 44.42 H new ATOM 0 HB2 GLU A 45 -1.592 7.195 6.842 1.00 73.03 H new ATOM 0 HB3 GLU A 45 -2.267 6.526 8.314 1.00 73.03 H new ATOM 0 HG2 GLU A 45 -2.278 8.898 8.577 1.00 54.53 H new ATOM 0 HG3 GLU A 45 -1.012 8.288 9.624 1.00 54.53 H new ATOM 754 N THR A 46 -0.652 4.652 9.908 1.00 71.43 N ATOM 755 CA THR A 46 -0.654 4.044 11.238 1.00 53.40 C ATOM 756 C THR A 46 0.660 3.274 11.540 1.00 52.22 C ATOM 757 O THR A 46 1.191 3.374 12.654 1.00 34.10 O ATOM 758 CB THR A 46 -1.949 3.137 11.348 1.00 13.24 C ATOM 759 OG1 THR A 46 -3.049 3.898 11.872 1.00 22.41 O ATOM 760 CG2 THR A 46 -1.773 1.853 12.147 1.00 71.32 C ATOM 0 H THR A 46 -1.278 4.172 9.261 1.00 71.43 H new ATOM 0 HA THR A 46 -0.690 4.818 12.004 1.00 53.40 H new ATOM 0 HB THR A 46 -2.157 2.815 10.328 1.00 13.24 H new ATOM 0 HG1 THR A 46 -3.843 3.326 11.933 1.00 22.41 H new ATOM 0 HG21 THR A 46 -2.714 1.303 12.164 1.00 71.32 H new ATOM 0 HG22 THR A 46 -1.002 1.238 11.683 1.00 71.32 H new ATOM 0 HG23 THR A 46 -1.477 2.097 13.167 1.00 71.32 H new ATOM 768 N VAL A 47 1.203 2.530 10.552 1.00 31.31 N ATOM 769 CA VAL A 47 2.422 1.719 10.778 1.00 34.12 C ATOM 770 C VAL A 47 3.654 2.631 10.820 1.00 65.55 C ATOM 771 O VAL A 47 4.614 2.362 11.546 1.00 64.13 O ATOM 772 CB VAL A 47 2.629 0.587 9.703 1.00 22.00 C ATOM 773 CG1 VAL A 47 3.182 1.134 8.364 1.00 14.31 C ATOM 774 CG2 VAL A 47 3.531 -0.537 10.252 1.00 53.14 C ATOM 0 H VAL A 47 0.826 2.473 9.606 1.00 31.31 H new ATOM 0 HA VAL A 47 2.289 1.217 11.736 1.00 34.12 H new ATOM 0 HB VAL A 47 1.644 0.170 9.492 1.00 22.00 H new ATOM 0 HG11 VAL A 47 3.306 0.312 7.659 1.00 14.31 H new ATOM 0 HG12 VAL A 47 2.484 1.863 7.953 1.00 14.31 H new ATOM 0 HG13 VAL A 47 4.146 1.612 8.537 1.00 14.31 H new ATOM 0 HG21 VAL A 47 3.658 -1.306 9.490 1.00 53.14 H new ATOM 0 HG22 VAL A 47 4.505 -0.125 10.518 1.00 53.14 H new ATOM 0 HG23 VAL A 47 3.069 -0.975 11.136 1.00 53.14 H new ATOM 784 N MET A 48 3.608 3.714 10.018 1.00 43.42 N ATOM 785 CA MET A 48 4.687 4.695 9.964 1.00 15.04 C ATOM 786 C MET A 48 4.655 5.556 11.240 1.00 43.23 C ATOM 787 O MET A 48 5.701 5.946 11.755 1.00 13.33 O ATOM 788 CB MET A 48 4.565 5.529 8.665 1.00 14.42 C ATOM 789 CG MET A 48 5.789 6.388 8.328 1.00 25.43 C ATOM 790 SD MET A 48 5.771 6.963 6.613 1.00 42.52 S ATOM 791 CE MET A 48 5.900 5.417 5.698 1.00 25.12 C ATOM 0 H MET A 48 2.825 3.923 9.399 1.00 43.42 H new ATOM 0 HA MET A 48 5.659 4.202 9.933 1.00 15.04 H new ATOM 0 HB2 MET A 48 4.376 4.851 7.833 1.00 14.42 H new ATOM 0 HB3 MET A 48 3.695 6.180 8.750 1.00 14.42 H new ATOM 0 HG2 MET A 48 5.822 7.248 8.997 1.00 25.43 H new ATOM 0 HG3 MET A 48 6.696 5.810 8.506 1.00 25.43 H new ATOM 0 HE1 MET A 48 6.302 5.615 4.704 1.00 25.12 H new ATOM 0 HE2 MET A 48 6.563 4.734 6.229 1.00 25.12 H new ATOM 0 HE3 MET A 48 4.912 4.965 5.606 1.00 25.12 H new ATOM 801 N GLU A 49 3.431 5.792 11.762 1.00 71.02 N ATOM 802 CA GLU A 49 3.209 6.446 13.068 1.00 21.31 C ATOM 803 C GLU A 49 3.685 5.547 14.231 1.00 12.14 C ATOM 804 O GLU A 49 4.090 6.058 15.285 1.00 55.33 O ATOM 805 CB GLU A 49 1.699 6.789 13.232 1.00 63.21 C ATOM 806 CG GLU A 49 1.298 7.512 14.545 1.00 44.10 C ATOM 807 CD GLU A 49 1.821 8.960 14.659 1.00 32.32 C ATOM 808 OE1 GLU A 49 2.953 9.167 15.148 1.00 51.22 O ATOM 809 OE2 GLU A 49 1.092 9.901 14.273 1.00 11.25 O ATOM 0 H GLU A 49 2.567 5.533 11.286 1.00 71.02 H new ATOM 0 HA GLU A 49 3.794 7.365 13.098 1.00 21.31 H new ATOM 0 HB2 GLU A 49 1.397 7.413 12.391 1.00 63.21 H new ATOM 0 HB3 GLU A 49 1.128 5.863 13.163 1.00 63.21 H new ATOM 0 HG2 GLU A 49 0.211 7.524 14.622 1.00 44.10 H new ATOM 0 HG3 GLU A 49 1.671 6.936 15.392 1.00 44.10 H new ATOM 816 N LYS A 50 3.632 4.206 14.035 1.00 54.12 N ATOM 817 CA LYS A 50 4.063 3.232 15.055 1.00 41.44 C ATOM 818 C LYS A 50 5.584 3.314 15.270 1.00 43.10 C ATOM 819 O LYS A 50 6.371 2.907 14.406 1.00 32.31 O ATOM 820 CB LYS A 50 3.653 1.783 14.669 1.00 52.04 C ATOM 821 CG LYS A 50 4.009 0.658 15.692 1.00 72.25 C ATOM 822 CD LYS A 50 3.161 0.674 17.007 1.00 43.10 C ATOM 823 CE LYS A 50 3.646 1.663 18.086 1.00 55.32 C ATOM 824 NZ LYS A 50 2.718 1.717 19.251 1.00 54.22 N ATOM 0 H LYS A 50 3.292 3.778 13.174 1.00 54.12 H new ATOM 0 HA LYS A 50 3.559 3.486 15.987 1.00 41.44 H new ATOM 0 HB2 LYS A 50 2.575 1.766 14.506 1.00 52.04 H new ATOM 0 HB3 LYS A 50 4.123 1.538 13.717 1.00 52.04 H new ATOM 0 HG2 LYS A 50 3.881 -0.309 15.206 1.00 72.25 H new ATOM 0 HG3 LYS A 50 5.063 0.746 15.955 1.00 72.25 H new ATOM 0 HD2 LYS A 50 2.129 0.915 16.752 1.00 43.10 H new ATOM 0 HD3 LYS A 50 3.158 -0.330 17.431 1.00 43.10 H new ATOM 0 HE2 LYS A 50 4.639 1.370 18.427 1.00 55.32 H new ATOM 0 HE3 LYS A 50 3.739 2.658 17.650 1.00 55.32 H new ATOM 0 HZ1 LYS A 50 3.255 1.944 20.112 1.00 54.22 H new ATOM 0 HZ2 LYS A 50 1.999 2.450 19.088 1.00 54.22 H new ATOM 0 HZ3 LYS A 50 2.252 0.794 19.367 1.00 54.22 H new ATOM 838 N GLN A 51 5.975 3.885 16.417 1.00 25.14 N ATOM 839 CA GLN A 51 7.380 4.048 16.802 1.00 3.43 C ATOM 840 C GLN A 51 7.822 2.863 17.684 1.00 32.44 C ATOM 841 O GLN A 51 7.416 2.760 18.849 1.00 10.33 O ATOM 842 CB GLN A 51 7.570 5.400 17.547 1.00 53.20 C ATOM 843 CG GLN A 51 7.090 6.645 16.766 1.00 51.21 C ATOM 844 CD GLN A 51 7.787 6.830 15.415 1.00 2.31 C ATOM 845 OE1 GLN A 51 8.835 7.469 15.326 1.00 61.52 O ATOM 846 NE2 GLN A 51 7.202 6.289 14.352 1.00 61.51 N ATOM 0 H GLN A 51 5.319 4.249 17.108 1.00 25.14 H new ATOM 0 HA GLN A 51 8.003 4.060 15.908 1.00 3.43 H new ATOM 0 HB2 GLN A 51 7.034 5.355 18.495 1.00 53.20 H new ATOM 0 HB3 GLN A 51 8.627 5.523 17.784 1.00 53.20 H new ATOM 0 HG2 GLN A 51 6.015 6.569 16.603 1.00 51.21 H new ATOM 0 HG3 GLN A 51 7.258 7.533 17.376 1.00 51.21 H new ATOM 0 HE21 GLN A 51 6.334 5.765 14.459 1.00 61.51 H new ATOM 0 HE22 GLN A 51 7.621 6.398 13.429 1.00 61.51 H new ATOM 855 N THR A 52 8.605 1.948 17.094 1.00 4.45 N ATOM 856 CA THR A 52 9.267 0.845 17.809 1.00 11.20 C ATOM 857 C THR A 52 10.713 1.244 18.169 1.00 34.23 C ATOM 858 O THR A 52 11.307 2.074 17.463 1.00 55.55 O ATOM 859 CB THR A 52 9.275 -0.456 16.933 1.00 71.35 C ATOM 860 OG1 THR A 52 9.773 -0.163 15.614 1.00 34.43 O ATOM 861 CG2 THR A 52 7.878 -1.071 16.833 1.00 3.30 C ATOM 0 H THR A 52 8.799 1.953 16.093 1.00 4.45 H new ATOM 0 HA THR A 52 8.711 0.643 18.724 1.00 11.20 H new ATOM 0 HB THR A 52 9.931 -1.179 17.418 1.00 71.35 H new ATOM 0 HG1 THR A 52 9.776 -0.982 15.076 1.00 34.43 H new ATOM 0 HG21 THR A 52 7.920 -1.971 16.219 1.00 3.30 H new ATOM 0 HG22 THR A 52 7.522 -1.328 17.830 1.00 3.30 H new ATOM 0 HG23 THR A 52 7.196 -0.353 16.378 1.00 3.30 H new ATOM 869 N PRO A 53 11.306 0.672 19.275 1.00 73.14 N ATOM 870 CA PRO A 53 12.720 0.933 19.646 1.00 34.43 C ATOM 871 C PRO A 53 13.718 0.461 18.546 1.00 35.34 C ATOM 872 O PRO A 53 13.389 -0.446 17.766 1.00 73.51 O ATOM 873 CB PRO A 53 12.905 0.132 20.972 1.00 20.31 C ATOM 874 CG PRO A 53 11.513 -0.122 21.481 1.00 50.43 C ATOM 875 CD PRO A 53 10.648 -0.242 20.249 1.00 1.21 C ATOM 0 HA PRO A 53 12.927 1.997 19.759 1.00 34.43 H new ATOM 0 HB2 PRO A 53 13.436 -0.804 20.795 1.00 20.31 H new ATOM 0 HB3 PRO A 53 13.491 0.699 21.695 1.00 20.31 H new ATOM 0 HG2 PRO A 53 11.474 -1.033 22.078 1.00 50.43 H new ATOM 0 HG3 PRO A 53 11.174 0.693 22.120 1.00 50.43 H new ATOM 0 HD2 PRO A 53 10.615 -1.267 19.879 1.00 1.21 H new ATOM 0 HD3 PRO A 53 9.619 0.058 20.450 1.00 1.21 H new ATOM 883 N PRO A 54 14.955 1.073 18.486 1.00 53.55 N ATOM 884 CA PRO A 54 16.015 0.704 17.502 1.00 41.10 C ATOM 885 C PRO A 54 16.345 -0.803 17.491 1.00 11.13 C ATOM 886 O PRO A 54 16.511 -1.402 16.419 1.00 64.21 O ATOM 887 CB PRO A 54 17.236 1.546 17.956 1.00 12.32 C ATOM 888 CG PRO A 54 16.632 2.733 18.651 1.00 63.31 C ATOM 889 CD PRO A 54 15.408 2.198 19.359 1.00 5.10 C ATOM 0 HA PRO A 54 15.700 0.906 16.478 1.00 41.10 H new ATOM 0 HB2 PRO A 54 17.883 0.979 18.626 1.00 12.32 H new ATOM 0 HB3 PRO A 54 17.847 1.851 17.106 1.00 12.32 H new ATOM 0 HG2 PRO A 54 17.334 3.175 19.358 1.00 63.31 H new ATOM 0 HG3 PRO A 54 16.365 3.513 17.938 1.00 63.31 H new ATOM 0 HD2 PRO A 54 15.647 1.853 20.365 1.00 5.10 H new ATOM 0 HD3 PRO A 54 14.637 2.962 19.459 1.00 5.10 H new ATOM 897 N GLY A 55 16.493 -1.374 18.701 1.00 70.34 N ATOM 898 CA GLY A 55 16.841 -2.784 18.882 1.00 20.32 C ATOM 899 C GLY A 55 15.746 -3.758 18.441 1.00 44.42 C ATOM 900 O GLY A 55 14.977 -4.264 19.265 1.00 74.55 O ATOM 0 H GLY A 55 16.373 -0.865 19.577 1.00 70.34 H new ATOM 0 HA2 GLY A 55 17.751 -2.998 18.321 1.00 20.32 H new ATOM 0 HA3 GLY A 55 17.067 -2.960 19.934 1.00 20.32 H new ATOM 904 N ILE A 56 15.679 -4.011 17.130 1.00 43.25 N ATOM 905 CA ILE A 56 14.753 -4.976 16.521 1.00 14.43 C ATOM 906 C ILE A 56 15.429 -6.362 16.450 1.00 32.43 C ATOM 907 O ILE A 56 16.593 -6.483 16.078 1.00 62.05 O ATOM 908 CB ILE A 56 14.292 -4.457 15.105 1.00 41.33 C ATOM 909 CG1 ILE A 56 13.324 -3.239 15.267 1.00 44.54 C ATOM 910 CG2 ILE A 56 13.642 -5.562 14.243 1.00 73.31 C ATOM 911 CD1 ILE A 56 12.035 -3.561 16.019 1.00 53.13 C ATOM 0 H ILE A 56 16.277 -3.543 16.449 1.00 43.25 H new ATOM 0 HA ILE A 56 13.857 -5.078 17.133 1.00 14.43 H new ATOM 0 HB ILE A 56 15.188 -4.138 14.573 1.00 41.33 H new ATOM 0 HG12 ILE A 56 13.848 -2.440 15.792 1.00 44.54 H new ATOM 0 HG13 ILE A 56 13.069 -2.857 14.278 1.00 44.54 H new ATOM 0 HG21 ILE A 56 13.345 -5.145 13.281 1.00 73.31 H new ATOM 0 HG22 ILE A 56 14.358 -6.368 14.084 1.00 73.31 H new ATOM 0 HG23 ILE A 56 12.763 -5.953 14.755 1.00 73.31 H new ATOM 0 HD11 ILE A 56 11.420 -2.664 16.088 1.00 53.13 H new ATOM 0 HD12 ILE A 56 11.486 -4.337 15.485 1.00 53.13 H new ATOM 0 HD13 ILE A 56 12.277 -3.913 17.022 1.00 53.13 H new ATOM 923 N THR A 57 14.668 -7.394 16.820 1.00 42.31 N ATOM 924 CA THR A 57 15.177 -8.766 17.039 1.00 63.31 C ATOM 925 C THR A 57 14.779 -9.702 15.874 1.00 42.34 C ATOM 926 O THR A 57 14.110 -9.252 14.940 1.00 74.14 O ATOM 927 CB THR A 57 14.647 -9.281 18.423 1.00 42.41 C ATOM 928 OG1 THR A 57 15.105 -10.614 18.697 1.00 4.24 O ATOM 929 CG2 THR A 57 13.111 -9.212 18.507 1.00 34.52 C ATOM 0 H THR A 57 13.664 -7.308 16.981 1.00 42.31 H new ATOM 0 HA THR A 57 16.267 -8.759 17.061 1.00 63.31 H new ATOM 0 HB THR A 57 15.055 -8.617 19.185 1.00 42.41 H new ATOM 0 HG1 THR A 57 14.760 -10.906 19.566 1.00 4.24 H new ATOM 0 HG21 THR A 57 12.783 -9.577 19.480 1.00 34.52 H new ATOM 0 HG22 THR A 57 12.786 -8.180 18.378 1.00 34.52 H new ATOM 0 HG23 THR A 57 12.676 -9.830 17.722 1.00 34.52 H new ATOM 937 N ARG A 58 15.195 -10.995 15.975 1.00 20.05 N ATOM 938 CA ARG A 58 15.055 -12.040 14.929 1.00 72.51 C ATOM 939 C ARG A 58 13.678 -12.030 14.237 1.00 52.12 C ATOM 940 O ARG A 58 13.587 -11.754 13.028 1.00 45.13 O ATOM 941 CB ARG A 58 15.319 -13.444 15.563 1.00 62.41 C ATOM 942 CG ARG A 58 15.180 -14.659 14.605 1.00 3.12 C ATOM 943 CD ARG A 58 16.222 -14.661 13.473 1.00 70.33 C ATOM 944 NE ARG A 58 17.601 -14.684 13.993 1.00 55.11 N ATOM 945 CZ ARG A 58 18.718 -14.829 13.257 1.00 34.02 C ATOM 946 NH1 ARG A 58 18.662 -14.959 11.928 1.00 1.04 N ATOM 947 NH2 ARG A 58 19.898 -14.838 13.866 1.00 4.33 N ATOM 0 H ARG A 58 15.652 -11.347 16.816 1.00 20.05 H new ATOM 0 HA ARG A 58 15.792 -11.820 14.156 1.00 72.51 H new ATOM 0 HB2 ARG A 58 16.326 -13.449 15.981 1.00 62.41 H new ATOM 0 HB3 ARG A 58 14.628 -13.581 16.395 1.00 62.41 H new ATOM 0 HG2 ARG A 58 15.276 -15.580 15.180 1.00 3.12 H new ATOM 0 HG3 ARG A 58 14.181 -14.658 14.170 1.00 3.12 H new ATOM 0 HD2 ARG A 58 16.061 -15.529 12.833 1.00 70.33 H new ATOM 0 HD3 ARG A 58 16.084 -13.777 12.851 1.00 70.33 H new ATOM 0 HE ARG A 58 17.719 -14.581 15.001 1.00 55.11 H new ATOM 0 HH11 ARG A 58 17.760 -14.949 11.452 1.00 1.04 H new ATOM 0 HH12 ARG A 58 19.521 -15.068 11.390 1.00 1.04 H new ATOM 0 HH21 ARG A 58 19.950 -14.736 14.880 1.00 4.33 H new ATOM 0 HH22 ARG A 58 20.753 -14.947 13.320 1.00 4.33 H new ATOM 961 N SER A 59 12.623 -12.308 15.029 1.00 74.24 N ATOM 962 CA SER A 59 11.269 -12.502 14.513 1.00 53.32 C ATOM 963 C SER A 59 10.711 -11.216 13.879 1.00 32.42 C ATOM 964 O SER A 59 10.162 -11.266 12.774 1.00 52.33 O ATOM 965 CB SER A 59 10.349 -13.006 15.639 1.00 53.22 C ATOM 966 OG SER A 59 10.870 -14.192 16.216 1.00 31.44 O ATOM 0 H SER A 59 12.694 -12.403 16.042 1.00 74.24 H new ATOM 0 HA SER A 59 11.309 -13.254 13.725 1.00 53.32 H new ATOM 0 HB2 SER A 59 10.247 -12.237 16.405 1.00 53.22 H new ATOM 0 HB3 SER A 59 9.351 -13.196 15.243 1.00 53.22 H new ATOM 0 HG SER A 59 10.273 -14.497 16.931 1.00 31.44 H new ATOM 972 N ILE A 60 10.886 -10.068 14.577 1.00 55.15 N ATOM 973 CA ILE A 60 10.366 -8.769 14.113 1.00 54.51 C ATOM 974 C ILE A 60 10.993 -8.408 12.756 1.00 43.41 C ATOM 975 O ILE A 60 10.276 -8.144 11.799 1.00 52.24 O ATOM 976 CB ILE A 60 10.635 -7.588 15.119 1.00 12.51 C ATOM 977 CG1 ILE A 60 10.191 -7.946 16.569 1.00 53.45 C ATOM 978 CG2 ILE A 60 9.924 -6.291 14.630 1.00 65.52 C ATOM 979 CD1 ILE A 60 10.466 -6.854 17.596 1.00 13.14 C ATOM 0 H ILE A 60 11.385 -10.021 15.465 1.00 55.15 H new ATOM 0 HA ILE A 60 9.286 -8.889 14.030 1.00 54.51 H new ATOM 0 HB ILE A 60 11.711 -7.414 15.145 1.00 12.51 H new ATOM 0 HG12 ILE A 60 9.123 -8.165 16.566 1.00 53.45 H new ATOM 0 HG13 ILE A 60 10.703 -8.857 16.879 1.00 53.45 H new ATOM 0 HG21 ILE A 60 10.118 -5.482 15.334 1.00 65.52 H new ATOM 0 HG22 ILE A 60 10.306 -6.015 13.647 1.00 65.52 H new ATOM 0 HG23 ILE A 60 8.850 -6.467 14.566 1.00 65.52 H new ATOM 0 HD11 ILE A 60 10.127 -7.184 18.578 1.00 13.14 H new ATOM 0 HD12 ILE A 60 11.536 -6.649 17.632 1.00 13.14 H new ATOM 0 HD13 ILE A 60 9.932 -5.947 17.314 1.00 13.14 H new ATOM 991 N GLN A 61 12.342 -8.462 12.692 1.00 72.30 N ATOM 992 CA GLN A 61 13.115 -8.114 11.484 1.00 31.45 C ATOM 993 C GLN A 61 12.688 -8.974 10.288 1.00 63.14 C ATOM 994 O GLN A 61 12.387 -8.439 9.223 1.00 35.21 O ATOM 995 CB GLN A 61 14.639 -8.279 11.737 1.00 31.34 C ATOM 996 CG GLN A 61 15.522 -7.972 10.508 1.00 74.43 C ATOM 997 CD GLN A 61 17.009 -8.211 10.755 1.00 2.52 C ATOM 998 OE1 GLN A 61 17.514 -9.317 10.550 1.00 52.31 O ATOM 999 NE2 GLN A 61 17.725 -7.186 11.190 1.00 54.30 N ATOM 0 H GLN A 61 12.924 -8.749 13.479 1.00 72.30 H new ATOM 0 HA GLN A 61 12.908 -7.070 11.251 1.00 31.45 H new ATOM 0 HB2 GLN A 61 14.933 -7.621 12.555 1.00 31.34 H new ATOM 0 HB3 GLN A 61 14.833 -9.301 12.064 1.00 31.34 H new ATOM 0 HG2 GLN A 61 15.196 -8.591 9.672 1.00 74.43 H new ATOM 0 HG3 GLN A 61 15.373 -6.933 10.213 1.00 74.43 H new ATOM 0 HE21 GLN A 61 17.278 -6.283 11.350 1.00 54.30 H new ATOM 0 HE22 GLN A 61 18.724 -7.299 11.365 1.00 54.30 H new ATOM 1008 N ASP A 62 12.635 -10.302 10.502 1.00 44.20 N ATOM 1009 CA ASP A 62 12.351 -11.275 9.432 1.00 44.15 C ATOM 1010 C ASP A 62 10.920 -11.109 8.867 1.00 31.42 C ATOM 1011 O ASP A 62 10.743 -10.917 7.647 1.00 31.43 O ATOM 1012 CB ASP A 62 12.579 -12.718 9.956 1.00 20.40 C ATOM 1013 CG ASP A 62 12.332 -13.798 8.884 1.00 72.44 C ATOM 1014 OD1 ASP A 62 11.344 -14.560 8.993 1.00 43.44 O ATOM 1015 OD2 ASP A 62 13.127 -13.884 7.920 1.00 54.54 O ATOM 0 H ASP A 62 12.787 -10.728 11.416 1.00 44.20 H new ATOM 0 HA ASP A 62 13.040 -11.084 8.609 1.00 44.15 H new ATOM 0 HB2 ASP A 62 13.601 -12.807 10.324 1.00 20.40 H new ATOM 0 HB3 ASP A 62 11.918 -12.899 10.804 1.00 20.40 H new ATOM 1020 N MET A 63 9.916 -11.149 9.769 1.00 24.31 N ATOM 1021 CA MET A 63 8.489 -11.053 9.395 1.00 4.01 C ATOM 1022 C MET A 63 8.184 -9.705 8.719 1.00 42.05 C ATOM 1023 O MET A 63 7.640 -9.684 7.609 1.00 73.04 O ATOM 1024 CB MET A 63 7.566 -11.272 10.631 1.00 32.21 C ATOM 1025 CG MET A 63 7.639 -12.679 11.249 1.00 2.11 C ATOM 1026 SD MET A 63 6.501 -12.905 12.642 1.00 14.42 S ATOM 1027 CE MET A 63 7.131 -11.747 13.867 1.00 21.44 C ATOM 0 H MET A 63 10.071 -11.248 10.772 1.00 24.31 H new ATOM 0 HA MET A 63 8.282 -11.847 8.677 1.00 4.01 H new ATOM 0 HB2 MET A 63 7.827 -10.540 11.396 1.00 32.21 H new ATOM 0 HB3 MET A 63 6.535 -11.072 10.337 1.00 32.21 H new ATOM 0 HG2 MET A 63 7.414 -13.419 10.481 1.00 2.11 H new ATOM 0 HG3 MET A 63 8.658 -12.869 11.586 1.00 2.11 H new ATOM 0 HE1 MET A 63 6.464 -11.731 14.729 1.00 21.44 H new ATOM 0 HE2 MET A 63 8.126 -12.059 14.184 1.00 21.44 H new ATOM 0 HE3 MET A 63 7.185 -10.750 13.431 1.00 21.44 H new ATOM 1037 N VAL A 64 8.578 -8.593 9.379 1.00 43.24 N ATOM 1038 CA VAL A 64 8.344 -7.224 8.875 1.00 24.13 C ATOM 1039 C VAL A 64 9.009 -7.016 7.502 1.00 34.34 C ATOM 1040 O VAL A 64 8.367 -6.488 6.596 1.00 32.33 O ATOM 1041 CB VAL A 64 8.831 -6.140 9.916 1.00 42.22 C ATOM 1042 CG1 VAL A 64 8.944 -4.730 9.299 1.00 71.42 C ATOM 1043 CG2 VAL A 64 7.896 -6.118 11.153 1.00 15.22 C ATOM 0 H VAL A 64 9.066 -8.621 10.274 1.00 43.24 H new ATOM 0 HA VAL A 64 7.269 -7.098 8.745 1.00 24.13 H new ATOM 0 HB VAL A 64 9.834 -6.429 10.229 1.00 42.22 H new ATOM 0 HG11 VAL A 64 9.282 -4.026 10.059 1.00 71.42 H new ATOM 0 HG12 VAL A 64 9.660 -4.749 8.477 1.00 71.42 H new ATOM 0 HG13 VAL A 64 7.969 -4.418 8.924 1.00 71.42 H new ATOM 0 HG21 VAL A 64 8.246 -5.366 11.860 1.00 15.22 H new ATOM 0 HG22 VAL A 64 6.881 -5.876 10.838 1.00 15.22 H new ATOM 0 HG23 VAL A 64 7.903 -7.097 11.632 1.00 15.22 H new ATOM 1053 N ALA A 65 10.272 -7.470 7.350 1.00 64.34 N ATOM 1054 CA ALA A 65 11.008 -7.356 6.073 1.00 1.44 C ATOM 1055 C ALA A 65 10.296 -8.130 4.947 1.00 42.44 C ATOM 1056 O ALA A 65 10.296 -7.682 3.799 1.00 63.22 O ATOM 1057 CB ALA A 65 12.457 -7.833 6.218 1.00 54.11 C ATOM 0 H ALA A 65 10.803 -7.919 8.096 1.00 64.34 H new ATOM 0 HA ALA A 65 11.025 -6.300 5.803 1.00 1.44 H new ATOM 0 HB1 ALA A 65 12.970 -7.736 5.261 1.00 54.11 H new ATOM 0 HB2 ALA A 65 12.967 -7.226 6.966 1.00 54.11 H new ATOM 0 HB3 ALA A 65 12.467 -8.877 6.530 1.00 54.11 H new ATOM 1063 N GLY A 66 9.689 -9.291 5.294 1.00 74.53 N ATOM 1064 CA GLY A 66 8.852 -10.048 4.351 1.00 4.22 C ATOM 1065 C GLY A 66 7.621 -9.257 3.903 1.00 64.51 C ATOM 1066 O GLY A 66 7.292 -9.211 2.705 1.00 42.33 O ATOM 0 H GLY A 66 9.767 -9.716 6.218 1.00 74.53 H new ATOM 0 HA2 GLY A 66 9.446 -10.318 3.477 1.00 4.22 H new ATOM 0 HA3 GLY A 66 8.532 -10.979 4.819 1.00 4.22 H new ATOM 1070 N TYR A 67 6.962 -8.605 4.877 1.00 1.32 N ATOM 1071 CA TYR A 67 5.762 -7.781 4.640 1.00 53.11 C ATOM 1072 C TYR A 67 6.111 -6.485 3.876 1.00 13.30 C ATOM 1073 O TYR A 67 5.259 -5.923 3.189 1.00 43.34 O ATOM 1074 CB TYR A 67 5.074 -7.436 5.982 1.00 40.20 C ATOM 1075 CG TYR A 67 4.632 -8.646 6.833 1.00 42.34 C ATOM 1076 CD1 TYR A 67 4.732 -8.627 8.234 1.00 53.43 C ATOM 1077 CD2 TYR A 67 4.106 -9.802 6.239 1.00 54.12 C ATOM 1078 CE1 TYR A 67 4.329 -9.708 8.998 1.00 25.24 C ATOM 1079 CE2 TYR A 67 3.704 -10.881 7.003 1.00 42.41 C ATOM 1080 CZ TYR A 67 3.815 -10.830 8.377 1.00 24.50 C ATOM 1081 OH TYR A 67 3.412 -11.913 9.130 1.00 32.24 O ATOM 0 H TYR A 67 7.248 -8.635 5.856 1.00 1.32 H new ATOM 0 HA TYR A 67 5.075 -8.362 4.024 1.00 53.11 H new ATOM 0 HB2 TYR A 67 5.757 -6.827 6.575 1.00 40.20 H new ATOM 0 HB3 TYR A 67 4.198 -6.821 5.774 1.00 40.20 H new ATOM 0 HD1 TYR A 67 5.131 -7.752 8.724 1.00 53.43 H new ATOM 0 HD2 TYR A 67 4.013 -9.850 5.164 1.00 54.12 H new ATOM 0 HE1 TYR A 67 4.416 -9.675 10.074 1.00 25.24 H new ATOM 0 HE2 TYR A 67 3.304 -11.763 6.525 1.00 42.41 H new ATOM 0 HH TYR A 67 3.075 -12.616 8.537 1.00 32.24 H new ATOM 1091 N ILE A 68 7.372 -6.036 4.022 1.00 24.45 N ATOM 1092 CA ILE A 68 7.925 -4.866 3.319 1.00 75.04 C ATOM 1093 C ILE A 68 8.134 -5.200 1.835 1.00 64.25 C ATOM 1094 O ILE A 68 7.756 -4.411 0.959 1.00 22.25 O ATOM 1095 CB ILE A 68 9.272 -4.387 4.003 1.00 73.22 C ATOM 1096 CG1 ILE A 68 8.957 -3.643 5.347 1.00 0.15 C ATOM 1097 CG2 ILE A 68 10.140 -3.522 3.058 1.00 20.31 C ATOM 1098 CD1 ILE A 68 10.165 -3.123 6.113 1.00 31.15 C ATOM 0 H ILE A 68 8.045 -6.485 4.643 1.00 24.45 H new ATOM 0 HA ILE A 68 7.215 -4.041 3.386 1.00 75.04 H new ATOM 0 HB ILE A 68 9.866 -5.273 4.227 1.00 73.22 H new ATOM 0 HG12 ILE A 68 8.298 -2.802 5.130 1.00 0.15 H new ATOM 0 HG13 ILE A 68 8.403 -4.322 5.996 1.00 0.15 H new ATOM 0 HG21 ILE A 68 11.051 -3.220 3.575 1.00 20.31 H new ATOM 0 HG22 ILE A 68 10.401 -4.101 2.172 1.00 20.31 H new ATOM 0 HG23 ILE A 68 9.581 -2.635 2.760 1.00 20.31 H new ATOM 0 HD11 ILE A 68 9.832 -2.627 7.024 1.00 31.15 H new ATOM 0 HD12 ILE A 68 10.818 -3.956 6.372 1.00 31.15 H new ATOM 0 HD13 ILE A 68 10.711 -2.413 5.492 1.00 31.15 H new ATOM 1110 N LYS A 69 8.723 -6.387 1.571 1.00 40.25 N ATOM 1111 CA LYS A 69 8.912 -6.894 0.199 1.00 4.44 C ATOM 1112 C LYS A 69 7.552 -7.024 -0.508 1.00 5.22 C ATOM 1113 O LYS A 69 7.404 -6.618 -1.675 1.00 4.13 O ATOM 1114 CB LYS A 69 9.662 -8.256 0.214 1.00 63.23 C ATOM 1115 CG LYS A 69 11.121 -8.189 0.722 1.00 0.44 C ATOM 1116 CD LYS A 69 12.023 -7.259 -0.130 1.00 15.24 C ATOM 1117 CE LYS A 69 13.447 -7.123 0.436 1.00 73.22 C ATOM 1118 NZ LYS A 69 14.286 -6.213 -0.389 1.00 71.52 N ATOM 0 H LYS A 69 9.076 -7.012 2.295 1.00 40.25 H new ATOM 0 HA LYS A 69 9.524 -6.182 -0.355 1.00 4.44 H new ATOM 0 HB2 LYS A 69 9.106 -8.954 0.840 1.00 63.23 H new ATOM 0 HB3 LYS A 69 9.663 -8.665 -0.796 1.00 63.23 H new ATOM 0 HG2 LYS A 69 11.124 -7.840 1.755 1.00 0.44 H new ATOM 0 HG3 LYS A 69 11.545 -9.193 0.724 1.00 0.44 H new ATOM 0 HD2 LYS A 69 12.077 -7.646 -1.147 1.00 15.24 H new ATOM 0 HD3 LYS A 69 11.565 -6.272 -0.189 1.00 15.24 H new ATOM 0 HE2 LYS A 69 13.397 -6.745 1.457 1.00 73.22 H new ATOM 0 HE3 LYS A 69 13.915 -8.106 0.482 1.00 73.22 H new ATOM 0 HZ1 LYS A 69 15.238 -6.148 0.025 1.00 71.52 H new ATOM 0 HZ2 LYS A 69 14.354 -6.586 -1.357 1.00 71.52 H new ATOM 0 HZ3 LYS A 69 13.853 -5.268 -0.412 1.00 71.52 H new ATOM 1132 N GLN A 70 6.560 -7.545 0.249 1.00 5.43 N ATOM 1133 CA GLN A 70 5.177 -7.671 -0.221 1.00 5.21 C ATOM 1134 C GLN A 70 4.611 -6.298 -0.596 1.00 12.53 C ATOM 1135 O GLN A 70 4.360 -6.055 -1.763 1.00 61.11 O ATOM 1136 CB GLN A 70 4.277 -8.348 0.857 1.00 43.02 C ATOM 1137 CG GLN A 70 4.392 -9.882 0.945 1.00 52.11 C ATOM 1138 CD GLN A 70 3.784 -10.595 -0.271 1.00 23.13 C ATOM 1139 OE1 GLN A 70 2.593 -10.915 -0.289 1.00 2.40 O ATOM 1140 NE2 GLN A 70 4.587 -10.849 -1.287 1.00 41.40 N ATOM 0 H GLN A 70 6.703 -7.887 1.199 1.00 5.43 H new ATOM 0 HA GLN A 70 5.181 -8.305 -1.108 1.00 5.21 H new ATOM 0 HB2 GLN A 70 4.525 -7.926 1.831 1.00 43.02 H new ATOM 0 HB3 GLN A 70 3.238 -8.090 0.653 1.00 43.02 H new ATOM 0 HG2 GLN A 70 5.443 -10.158 1.035 1.00 52.11 H new ATOM 0 HG3 GLN A 70 3.893 -10.228 1.850 1.00 52.11 H new ATOM 0 HE21 GLN A 70 5.568 -10.572 -1.243 1.00 41.40 H new ATOM 0 HE22 GLN A 70 4.227 -11.322 -2.116 1.00 41.40 H new ATOM 1149 N THR A 71 4.512 -5.377 0.380 1.00 51.32 N ATOM 1150 CA THR A 71 3.775 -4.121 0.185 1.00 32.42 C ATOM 1151 C THR A 71 4.411 -3.235 -0.907 1.00 41.33 C ATOM 1152 O THR A 71 3.686 -2.627 -1.679 1.00 20.50 O ATOM 1153 CB THR A 71 3.584 -3.315 1.514 1.00 44.05 C ATOM 1154 OG1 THR A 71 2.742 -2.171 1.282 1.00 51.13 O ATOM 1155 CG2 THR A 71 4.906 -2.842 2.142 1.00 14.54 C ATOM 0 H THR A 71 4.931 -5.480 1.304 1.00 51.32 H new ATOM 0 HA THR A 71 2.783 -4.414 -0.158 1.00 32.42 H new ATOM 0 HB THR A 71 3.119 -4.004 2.219 1.00 44.05 H new ATOM 0 HG1 THR A 71 3.091 -1.402 1.779 1.00 51.13 H new ATOM 0 HG21 THR A 71 4.697 -2.291 3.059 1.00 14.54 H new ATOM 0 HG22 THR A 71 5.529 -3.706 2.372 1.00 14.54 H new ATOM 0 HG23 THR A 71 5.430 -2.193 1.441 1.00 14.54 H new ATOM 1163 N LEU A 72 5.757 -3.213 -0.986 1.00 32.30 N ATOM 1164 CA LEU A 72 6.490 -2.383 -1.965 1.00 74.02 C ATOM 1165 C LEU A 72 6.449 -2.960 -3.392 1.00 61.13 C ATOM 1166 O LEU A 72 6.315 -2.191 -4.350 1.00 44.32 O ATOM 1167 CB LEU A 72 7.955 -2.151 -1.502 1.00 31.24 C ATOM 1168 CG LEU A 72 8.117 -1.216 -0.265 1.00 52.50 C ATOM 1169 CD1 LEU A 72 9.603 -1.054 0.128 1.00 31.00 C ATOM 1170 CD2 LEU A 72 7.444 0.150 -0.534 1.00 4.15 C ATOM 0 H LEU A 72 6.363 -3.765 -0.379 1.00 32.30 H new ATOM 0 HA LEU A 72 5.977 -1.422 -2.006 1.00 74.02 H new ATOM 0 HB2 LEU A 72 8.403 -3.117 -1.269 1.00 31.24 H new ATOM 0 HB3 LEU A 72 8.520 -1.729 -2.333 1.00 31.24 H new ATOM 0 HG LEU A 72 7.614 -1.679 0.584 1.00 52.50 H new ATOM 0 HD11 LEU A 72 9.681 -0.396 0.994 1.00 31.00 H new ATOM 0 HD12 LEU A 72 10.023 -2.029 0.374 1.00 31.00 H new ATOM 0 HD13 LEU A 72 10.155 -0.622 -0.707 1.00 31.00 H new ATOM 0 HD21 LEU A 72 7.565 0.793 0.338 1.00 4.15 H new ATOM 0 HD22 LEU A 72 7.910 0.621 -1.400 1.00 4.15 H new ATOM 0 HD23 LEU A 72 6.382 0.000 -0.730 1.00 4.15 H new ATOM 1182 N ASP A 73 6.579 -4.298 -3.552 1.00 32.52 N ATOM 1183 CA ASP A 73 6.505 -4.928 -4.901 1.00 31.13 C ATOM 1184 C ASP A 73 5.054 -4.949 -5.420 1.00 70.11 C ATOM 1185 O ASP A 73 4.810 -4.689 -6.608 1.00 12.04 O ATOM 1186 CB ASP A 73 7.105 -6.357 -4.892 1.00 25.41 C ATOM 1187 CG ASP A 73 6.940 -7.102 -6.237 1.00 14.43 C ATOM 1188 OD1 ASP A 73 7.441 -6.600 -7.269 1.00 13.23 O ATOM 1189 OD2 ASP A 73 6.326 -8.191 -6.264 1.00 10.21 O ATOM 0 H ASP A 73 6.732 -4.954 -2.786 1.00 32.52 H new ATOM 0 HA ASP A 73 7.103 -4.321 -5.581 1.00 31.13 H new ATOM 0 HB2 ASP A 73 8.165 -6.296 -4.647 1.00 25.41 H new ATOM 0 HB3 ASP A 73 6.628 -6.938 -4.103 1.00 25.41 H new ATOM 1194 N ASN A 74 4.106 -5.255 -4.519 1.00 20.45 N ATOM 1195 CA ASN A 74 2.666 -5.258 -4.832 1.00 20.51 C ATOM 1196 C ASN A 74 2.197 -3.840 -5.189 1.00 21.44 C ATOM 1197 O ASN A 74 1.368 -3.678 -6.080 1.00 73.11 O ATOM 1198 CB ASN A 74 1.813 -5.804 -3.655 1.00 72.04 C ATOM 1199 CG ASN A 74 2.099 -7.261 -3.259 1.00 2.51 C ATOM 1200 OD1 ASN A 74 2.491 -8.090 -4.076 1.00 60.35 O ATOM 1201 ND2 ASN A 74 1.893 -7.577 -1.982 1.00 50.41 N ATOM 0 H ASN A 74 4.315 -5.507 -3.553 1.00 20.45 H new ATOM 0 HA ASN A 74 2.524 -5.921 -5.685 1.00 20.51 H new ATOM 0 HB2 ASN A 74 1.976 -5.169 -2.784 1.00 72.04 H new ATOM 0 HB3 ASN A 74 0.759 -5.717 -3.920 1.00 72.04 H new ATOM 0 HD21 ASN A 74 2.061 -8.530 -1.659 1.00 50.41 H new ATOM 0 HD22 ASN A 74 1.567 -6.866 -1.327 1.00 50.41 H new ATOM 1208 N GLU A 75 2.743 -2.821 -4.484 1.00 24.42 N ATOM 1209 CA GLU A 75 2.455 -1.410 -4.777 1.00 43.22 C ATOM 1210 C GLU A 75 3.137 -0.964 -6.080 1.00 1.12 C ATOM 1211 O GLU A 75 2.591 -0.152 -6.804 1.00 64.03 O ATOM 1212 CB GLU A 75 2.912 -0.482 -3.635 1.00 3.02 C ATOM 1213 CG GLU A 75 2.546 0.999 -3.866 1.00 5.33 C ATOM 1214 CD GLU A 75 3.395 1.979 -3.058 1.00 14.22 C ATOM 1215 OE1 GLU A 75 3.016 2.293 -1.919 1.00 23.05 O ATOM 1216 OE2 GLU A 75 4.420 2.463 -3.588 1.00 44.03 O ATOM 0 H GLU A 75 3.388 -2.959 -3.706 1.00 24.42 H new ATOM 0 HA GLU A 75 1.373 -1.332 -4.884 1.00 43.22 H new ATOM 0 HB2 GLU A 75 2.462 -0.818 -2.701 1.00 3.02 H new ATOM 0 HB3 GLU A 75 3.992 -0.568 -3.517 1.00 3.02 H new ATOM 0 HG2 GLU A 75 2.653 1.229 -4.926 1.00 5.33 H new ATOM 0 HG3 GLU A 75 1.496 1.148 -3.612 1.00 5.33 H new ATOM 1223 N GLN A 76 4.343 -1.484 -6.350 1.00 22.34 N ATOM 1224 CA GLN A 76 5.091 -1.181 -7.587 1.00 74.32 C ATOM 1225 C GLN A 76 4.238 -1.565 -8.809 1.00 42.24 C ATOM 1226 O GLN A 76 4.031 -0.766 -9.735 1.00 54.42 O ATOM 1227 CB GLN A 76 6.435 -1.958 -7.591 1.00 31.14 C ATOM 1228 CG GLN A 76 7.316 -1.738 -8.837 1.00 61.34 C ATOM 1229 CD GLN A 76 8.553 -2.639 -8.904 1.00 22.32 C ATOM 1230 OE1 GLN A 76 9.598 -2.238 -9.429 1.00 34.44 O ATOM 1231 NE2 GLN A 76 8.440 -3.878 -8.431 1.00 52.35 N ATOM 0 H GLN A 76 4.829 -2.124 -5.722 1.00 22.34 H new ATOM 0 HA GLN A 76 5.309 -0.114 -7.633 1.00 74.32 H new ATOM 0 HB2 GLN A 76 7.005 -1.671 -6.707 1.00 31.14 H new ATOM 0 HB3 GLN A 76 6.221 -3.023 -7.500 1.00 31.14 H new ATOM 0 HG2 GLN A 76 6.711 -1.905 -9.729 1.00 61.34 H new ATOM 0 HG3 GLN A 76 7.638 -0.697 -8.860 1.00 61.34 H new ATOM 0 HE21 GLN A 76 7.566 -4.183 -8.003 1.00 52.35 H new ATOM 0 HE22 GLN A 76 9.228 -4.523 -8.497 1.00 52.35 H new ATOM 1240 N LEU A 77 3.698 -2.787 -8.737 1.00 73.14 N ATOM 1241 CA LEU A 77 2.823 -3.358 -9.764 1.00 44.32 C ATOM 1242 C LEU A 77 1.435 -2.659 -9.778 1.00 5.34 C ATOM 1243 O LEU A 77 0.886 -2.424 -10.856 1.00 41.34 O ATOM 1244 CB LEU A 77 2.695 -4.881 -9.506 1.00 0.14 C ATOM 1245 CG LEU A 77 3.973 -5.739 -9.770 1.00 53.05 C ATOM 1246 CD1 LEU A 77 3.830 -7.162 -9.184 1.00 74.41 C ATOM 1247 CD2 LEU A 77 4.278 -5.786 -11.279 1.00 62.35 C ATOM 0 H LEU A 77 3.860 -3.416 -7.950 1.00 73.14 H new ATOM 0 HA LEU A 77 3.258 -3.194 -10.750 1.00 44.32 H new ATOM 0 HB2 LEU A 77 2.393 -5.028 -8.469 1.00 0.14 H new ATOM 0 HB3 LEU A 77 1.889 -5.267 -10.130 1.00 0.14 H new ATOM 0 HG LEU A 77 4.813 -5.266 -9.262 1.00 53.05 H new ATOM 0 HD11 LEU A 77 4.737 -7.732 -9.386 1.00 74.41 H new ATOM 0 HD12 LEU A 77 3.674 -7.098 -8.107 1.00 74.41 H new ATOM 0 HD13 LEU A 77 2.978 -7.661 -9.645 1.00 74.41 H new ATOM 0 HD21 LEU A 77 5.171 -6.387 -11.451 1.00 62.35 H new ATOM 0 HD22 LEU A 77 3.434 -6.230 -11.807 1.00 62.35 H new ATOM 0 HD23 LEU A 77 4.445 -4.774 -11.648 1.00 62.35 H new ATOM 1259 N LEU A 78 0.899 -2.326 -8.573 1.00 62.50 N ATOM 1260 CA LEU A 78 -0.383 -1.577 -8.405 1.00 4.23 C ATOM 1261 C LEU A 78 -0.312 -0.224 -9.131 1.00 11.20 C ATOM 1262 O LEU A 78 -1.056 0.026 -10.061 1.00 61.31 O ATOM 1263 CB LEU A 78 -0.696 -1.339 -6.873 1.00 35.53 C ATOM 1264 CG LEU A 78 -1.732 -2.290 -6.203 1.00 34.54 C ATOM 1265 CD1 LEU A 78 -1.735 -2.124 -4.663 1.00 45.22 C ATOM 1266 CD2 LEU A 78 -3.135 -2.042 -6.789 1.00 43.30 C ATOM 0 H LEU A 78 1.342 -2.569 -7.687 1.00 62.50 H new ATOM 0 HA LEU A 78 -1.183 -2.177 -8.840 1.00 4.23 H new ATOM 0 HB2 LEU A 78 0.241 -1.416 -6.321 1.00 35.53 H new ATOM 0 HB3 LEU A 78 -1.052 -0.315 -6.756 1.00 35.53 H new ATOM 0 HG LEU A 78 -1.442 -3.319 -6.418 1.00 34.54 H new ATOM 0 HD11 LEU A 78 -2.468 -2.801 -4.225 1.00 45.22 H new ATOM 0 HD12 LEU A 78 -0.746 -2.358 -4.270 1.00 45.22 H new ATOM 0 HD13 LEU A 78 -1.993 -1.096 -4.408 1.00 45.22 H new ATOM 0 HD21 LEU A 78 -3.851 -2.712 -6.314 1.00 43.30 H new ATOM 0 HD22 LEU A 78 -3.428 -1.008 -6.606 1.00 43.30 H new ATOM 0 HD23 LEU A 78 -3.119 -2.230 -7.863 1.00 43.30 H new ATOM 1278 N LYS A 79 0.635 0.597 -8.675 1.00 53.25 N ATOM 1279 CA LYS A 79 0.849 1.983 -9.105 1.00 24.42 C ATOM 1280 C LYS A 79 1.245 2.060 -10.587 1.00 11.45 C ATOM 1281 O LYS A 79 0.837 2.992 -11.276 1.00 1.13 O ATOM 1282 CB LYS A 79 1.919 2.620 -8.173 1.00 25.42 C ATOM 1283 CG LYS A 79 2.297 4.097 -8.444 1.00 11.35 C ATOM 1284 CD LYS A 79 3.065 4.734 -7.250 1.00 20.34 C ATOM 1285 CE LYS A 79 4.318 3.931 -6.830 1.00 40.12 C ATOM 1286 NZ LYS A 79 4.939 4.460 -5.580 1.00 23.32 N ATOM 0 H LYS A 79 1.305 0.303 -7.964 1.00 53.25 H new ATOM 0 HA LYS A 79 -0.080 2.547 -9.021 1.00 24.42 H new ATOM 0 HB2 LYS A 79 1.562 2.545 -7.146 1.00 25.42 H new ATOM 0 HB3 LYS A 79 2.827 2.020 -8.240 1.00 25.42 H new ATOM 0 HG2 LYS A 79 2.912 4.154 -9.342 1.00 11.35 H new ATOM 0 HG3 LYS A 79 1.392 4.672 -8.640 1.00 11.35 H new ATOM 0 HD2 LYS A 79 3.365 5.747 -7.519 1.00 20.34 H new ATOM 0 HD3 LYS A 79 2.392 4.816 -6.397 1.00 20.34 H new ATOM 0 HE2 LYS A 79 4.044 2.886 -6.683 1.00 40.12 H new ATOM 0 HE3 LYS A 79 5.051 3.958 -7.636 1.00 40.12 H new ATOM 0 HZ1 LYS A 79 5.884 4.042 -5.458 1.00 23.32 H new ATOM 0 HZ2 LYS A 79 5.024 5.494 -5.645 1.00 23.32 H new ATOM 0 HZ3 LYS A 79 4.343 4.212 -4.765 1.00 23.32 H new ATOM 1300 N GLY A 80 2.026 1.067 -11.066 1.00 4.43 N ATOM 1301 CA GLY A 80 2.363 0.958 -12.496 1.00 53.20 C ATOM 1302 C GLY A 80 1.124 0.710 -13.364 1.00 73.03 C ATOM 1303 O GLY A 80 0.861 1.456 -14.329 1.00 72.43 O ATOM 0 H GLY A 80 2.432 0.334 -10.484 1.00 4.43 H new ATOM 0 HA2 GLY A 80 2.856 1.874 -12.822 1.00 53.20 H new ATOM 0 HA3 GLY A 80 3.074 0.144 -12.639 1.00 53.20 H new ATOM 1307 N LEU A 81 0.344 -0.314 -12.968 1.00 33.35 N ATOM 1308 CA LEU A 81 -0.889 -0.734 -13.661 1.00 43.44 C ATOM 1309 C LEU A 81 -1.949 0.387 -13.636 1.00 45.33 C ATOM 1310 O LEU A 81 -2.596 0.646 -14.643 1.00 10.23 O ATOM 1311 CB LEU A 81 -1.404 -2.050 -12.995 1.00 40.34 C ATOM 1312 CG LEU A 81 -2.717 -2.718 -13.560 1.00 70.23 C ATOM 1313 CD1 LEU A 81 -2.717 -4.244 -13.332 1.00 24.01 C ATOM 1314 CD2 LEU A 81 -3.995 -2.105 -12.940 1.00 0.22 C ATOM 0 H LEU A 81 0.556 -0.880 -12.147 1.00 33.35 H new ATOM 0 HA LEU A 81 -0.680 -0.929 -14.713 1.00 43.44 H new ATOM 0 HB2 LEU A 81 -0.604 -2.788 -13.057 1.00 40.34 H new ATOM 0 HB3 LEU A 81 -1.566 -1.844 -11.937 1.00 40.34 H new ATOM 0 HG LEU A 81 -2.724 -2.518 -14.631 1.00 70.23 H new ATOM 0 HD11 LEU A 81 -3.636 -4.672 -13.733 1.00 24.01 H new ATOM 0 HD12 LEU A 81 -1.859 -4.687 -13.838 1.00 24.01 H new ATOM 0 HD13 LEU A 81 -2.656 -4.452 -12.264 1.00 24.01 H new ATOM 0 HD21 LEU A 81 -4.874 -2.596 -13.358 1.00 0.22 H new ATOM 0 HD22 LEU A 81 -3.980 -2.248 -11.859 1.00 0.22 H new ATOM 0 HD23 LEU A 81 -4.033 -1.039 -13.165 1.00 0.22 H new ATOM 1326 N LEU A 82 -2.089 1.046 -12.477 1.00 13.03 N ATOM 1327 CA LEU A 82 -3.129 2.062 -12.228 1.00 73.21 C ATOM 1328 C LEU A 82 -2.810 3.375 -12.953 1.00 63.12 C ATOM 1329 O LEU A 82 -3.719 4.030 -13.447 1.00 1.40 O ATOM 1330 CB LEU A 82 -3.299 2.282 -10.697 1.00 43.34 C ATOM 1331 CG LEU A 82 -4.176 1.213 -9.967 1.00 73.01 C ATOM 1332 CD1 LEU A 82 -3.957 1.246 -8.446 1.00 43.21 C ATOM 1333 CD2 LEU A 82 -5.662 1.427 -10.315 1.00 64.22 C ATOM 0 H LEU A 82 -1.478 0.889 -11.675 1.00 13.03 H new ATOM 0 HA LEU A 82 -4.075 1.699 -12.631 1.00 73.21 H new ATOM 0 HB2 LEU A 82 -2.312 2.296 -10.236 1.00 43.34 H new ATOM 0 HB3 LEU A 82 -3.741 3.265 -10.534 1.00 43.34 H new ATOM 0 HG LEU A 82 -3.871 0.226 -10.314 1.00 73.01 H new ATOM 0 HD11 LEU A 82 -4.583 0.490 -7.972 1.00 43.21 H new ATOM 0 HD12 LEU A 82 -2.910 1.041 -8.225 1.00 43.21 H new ATOM 0 HD13 LEU A 82 -4.223 2.230 -8.061 1.00 43.21 H new ATOM 0 HD21 LEU A 82 -6.267 0.679 -9.803 1.00 64.22 H new ATOM 0 HD22 LEU A 82 -5.970 2.423 -9.997 1.00 64.22 H new ATOM 0 HD23 LEU A 82 -5.801 1.331 -11.392 1.00 64.22 H new ATOM 1345 N GLN A 83 -1.516 3.732 -13.013 1.00 5.24 N ATOM 1346 CA GLN A 83 -1.029 4.875 -13.811 1.00 23.53 C ATOM 1347 C GLN A 83 -1.338 4.632 -15.300 1.00 14.44 C ATOM 1348 O GLN A 83 -1.852 5.525 -15.998 1.00 14.21 O ATOM 1349 CB GLN A 83 0.498 5.081 -13.536 1.00 14.43 C ATOM 1350 CG GLN A 83 1.255 6.097 -14.442 1.00 0.34 C ATOM 1351 CD GLN A 83 1.755 5.528 -15.785 1.00 42.41 C ATOM 1352 OE1 GLN A 83 1.857 6.248 -16.780 1.00 20.34 O ATOM 1353 NE2 GLN A 83 2.090 4.239 -15.831 1.00 63.54 N ATOM 0 H GLN A 83 -0.778 3.239 -12.511 1.00 5.24 H new ATOM 0 HA GLN A 83 -1.540 5.794 -13.523 1.00 23.53 H new ATOM 0 HB2 GLN A 83 0.614 5.400 -12.500 1.00 14.43 H new ATOM 0 HB3 GLN A 83 0.991 4.113 -13.629 1.00 14.43 H new ATOM 0 HG2 GLN A 83 0.595 6.941 -14.645 1.00 0.34 H new ATOM 0 HG3 GLN A 83 2.110 6.487 -13.889 1.00 0.34 H new ATOM 0 HE21 GLN A 83 1.999 3.658 -14.997 1.00 63.54 H new ATOM 0 HE22 GLN A 83 2.438 3.833 -16.700 1.00 63.54 H new ATOM 1362 N GLN A 84 -1.050 3.388 -15.752 1.00 25.13 N ATOM 1363 CA GLN A 84 -1.331 2.934 -17.126 1.00 60.13 C ATOM 1364 C GLN A 84 -2.847 2.995 -17.424 1.00 62.32 C ATOM 1365 O GLN A 84 -3.257 3.389 -18.519 1.00 5.13 O ATOM 1366 CB GLN A 84 -0.790 1.485 -17.328 1.00 4.53 C ATOM 1367 CG GLN A 84 -1.000 0.889 -18.743 1.00 22.25 C ATOM 1368 CD GLN A 84 -0.273 1.671 -19.836 1.00 63.11 C ATOM 1369 OE1 GLN A 84 0.878 1.387 -20.165 1.00 5.21 O ATOM 1370 NE2 GLN A 84 -0.931 2.669 -20.398 1.00 11.22 N ATOM 0 H GLN A 84 -0.615 2.673 -15.169 1.00 25.13 H new ATOM 0 HA GLN A 84 -0.824 3.600 -17.824 1.00 60.13 H new ATOM 0 HB2 GLN A 84 0.277 1.479 -17.104 1.00 4.53 H new ATOM 0 HB3 GLN A 84 -1.272 0.831 -16.601 1.00 4.53 H new ATOM 0 HG2 GLN A 84 -0.652 -0.144 -18.751 1.00 22.25 H new ATOM 0 HG3 GLN A 84 -2.066 0.868 -18.967 1.00 22.25 H new ATOM 0 HE21 GLN A 84 -1.885 2.881 -20.104 1.00 11.22 H new ATOM 0 HE22 GLN A 84 -0.486 3.228 -21.126 1.00 11.22 H new ATOM 1379 N ARG A 85 -3.657 2.614 -16.423 1.00 64.23 N ATOM 1380 CA ARG A 85 -5.121 2.563 -16.539 1.00 40.51 C ATOM 1381 C ARG A 85 -5.750 3.958 -16.541 1.00 65.24 C ATOM 1382 O ARG A 85 -6.732 4.162 -17.234 1.00 50.24 O ATOM 1383 CB ARG A 85 -5.731 1.697 -15.405 1.00 40.01 C ATOM 1384 CG ARG A 85 -5.589 0.179 -15.623 1.00 4.12 C ATOM 1385 CD ARG A 85 -6.374 -0.306 -16.852 1.00 13.41 C ATOM 1386 NE ARG A 85 -6.387 -1.769 -16.981 1.00 43.01 N ATOM 1387 CZ ARG A 85 -7.312 -2.474 -17.659 1.00 54.31 C ATOM 1388 NH1 ARG A 85 -8.320 -1.871 -18.300 1.00 20.03 N ATOM 1389 NH2 ARG A 85 -7.221 -3.792 -17.696 1.00 61.43 N ATOM 0 H ARG A 85 -3.311 2.331 -15.506 1.00 64.23 H new ATOM 0 HA ARG A 85 -5.349 2.102 -17.500 1.00 40.51 H new ATOM 0 HB2 ARG A 85 -5.253 1.964 -14.462 1.00 40.01 H new ATOM 0 HB3 ARG A 85 -6.789 1.941 -15.306 1.00 40.01 H new ATOM 0 HG2 ARG A 85 -4.535 -0.072 -15.745 1.00 4.12 H new ATOM 0 HG3 ARG A 85 -5.942 -0.348 -14.737 1.00 4.12 H new ATOM 0 HD2 ARG A 85 -7.400 0.057 -16.788 1.00 13.41 H new ATOM 0 HD3 ARG A 85 -5.937 0.129 -17.751 1.00 13.41 H new ATOM 0 HE ARG A 85 -5.639 -2.290 -16.523 1.00 43.01 H new ATOM 0 HH11 ARG A 85 -8.400 -0.854 -18.282 1.00 20.03 H new ATOM 0 HH12 ARG A 85 -9.008 -2.428 -18.807 1.00 20.03 H new ATOM 0 HH21 ARG A 85 -6.456 -4.264 -17.214 1.00 61.43 H new ATOM 0 HH22 ARG A 85 -7.916 -4.337 -18.206 1.00 61.43 H new ATOM 1403 N LEU A 86 -5.188 4.902 -15.769 1.00 50.14 N ATOM 1404 CA LEU A 86 -5.707 6.283 -15.700 1.00 61.10 C ATOM 1405 C LEU A 86 -5.372 7.038 -16.996 1.00 54.34 C ATOM 1406 O LEU A 86 -6.184 7.836 -17.482 1.00 1.22 O ATOM 1407 CB LEU A 86 -5.149 7.011 -14.442 1.00 3.30 C ATOM 1408 CG LEU A 86 -5.675 6.481 -13.063 1.00 64.40 C ATOM 1409 CD1 LEU A 86 -4.932 7.137 -11.879 1.00 31.25 C ATOM 1410 CD2 LEU A 86 -7.203 6.673 -12.942 1.00 21.42 C ATOM 0 H LEU A 86 -4.371 4.736 -15.181 1.00 50.14 H new ATOM 0 HA LEU A 86 -6.792 6.255 -15.604 1.00 61.10 H new ATOM 0 HB2 LEU A 86 -4.062 6.931 -14.451 1.00 3.30 H new ATOM 0 HB3 LEU A 86 -5.392 8.071 -14.520 1.00 3.30 H new ATOM 0 HG LEU A 86 -5.467 5.412 -13.022 1.00 64.40 H new ATOM 0 HD11 LEU A 86 -5.324 6.744 -10.941 1.00 31.25 H new ATOM 0 HD12 LEU A 86 -3.867 6.914 -11.949 1.00 31.25 H new ATOM 0 HD13 LEU A 86 -5.079 8.217 -11.910 1.00 31.25 H new ATOM 0 HD21 LEU A 86 -7.542 6.297 -11.977 1.00 21.42 H new ATOM 0 HD22 LEU A 86 -7.444 7.733 -13.024 1.00 21.42 H new ATOM 0 HD23 LEU A 86 -7.703 6.125 -13.740 1.00 21.42 H new ATOM 1422 N ASP A 87 -4.180 6.745 -17.559 1.00 53.50 N ATOM 1423 CA ASP A 87 -3.755 7.272 -18.873 1.00 45.34 C ATOM 1424 C ASP A 87 -4.635 6.689 -20.006 1.00 15.53 C ATOM 1425 O ASP A 87 -5.014 7.403 -20.953 1.00 10.53 O ATOM 1426 CB ASP A 87 -2.258 6.954 -19.123 1.00 23.40 C ATOM 1427 CG ASP A 87 -1.721 7.592 -20.421 1.00 50.14 C ATOM 1428 OD1 ASP A 87 -1.601 6.891 -21.451 1.00 54.04 O ATOM 1429 OD2 ASP A 87 -1.431 8.809 -20.415 1.00 21.14 O ATOM 0 H ASP A 87 -3.488 6.139 -17.117 1.00 53.50 H new ATOM 0 HA ASP A 87 -3.881 8.355 -18.868 1.00 45.34 H new ATOM 0 HB2 ASP A 87 -1.669 7.310 -18.278 1.00 23.40 H new ATOM 0 HB3 ASP A 87 -2.124 5.873 -19.172 1.00 23.40 H new ATOM 1434 N GLU A 88 -4.974 5.391 -19.870 1.00 4.33 N ATOM 1435 CA GLU A 88 -5.867 4.682 -20.798 1.00 22.35 C ATOM 1436 C GLU A 88 -7.277 5.294 -20.753 1.00 12.31 C ATOM 1437 O GLU A 88 -7.829 5.620 -21.799 1.00 30.54 O ATOM 1438 CB GLU A 88 -5.901 3.172 -20.453 1.00 12.02 C ATOM 1439 CG GLU A 88 -6.834 2.334 -21.350 1.00 33.55 C ATOM 1440 CD GLU A 88 -6.737 0.829 -21.081 1.00 65.31 C ATOM 1441 OE1 GLU A 88 -7.306 0.358 -20.081 1.00 12.05 O ATOM 1442 OE2 GLU A 88 -6.095 0.106 -21.862 1.00 43.52 O ATOM 0 H GLU A 88 -4.632 4.805 -19.108 1.00 4.33 H new ATOM 0 HA GLU A 88 -5.486 4.791 -21.813 1.00 22.35 H new ATOM 0 HB2 GLU A 88 -4.890 2.772 -20.528 1.00 12.02 H new ATOM 0 HB3 GLU A 88 -6.214 3.056 -19.415 1.00 12.02 H new ATOM 0 HG2 GLU A 88 -7.863 2.659 -21.196 1.00 33.55 H new ATOM 0 HG3 GLU A 88 -6.592 2.526 -22.395 1.00 33.55 H new ATOM 1449 N LEU A 89 -7.801 5.496 -19.522 1.00 21.42 N ATOM 1450 CA LEU A 89 -9.113 6.130 -19.271 1.00 24.21 C ATOM 1451 C LEU A 89 -9.175 7.526 -19.907 1.00 35.51 C ATOM 1452 O LEU A 89 -10.181 7.884 -20.512 1.00 50.32 O ATOM 1453 CB LEU A 89 -9.396 6.220 -17.738 1.00 74.31 C ATOM 1454 CG LEU A 89 -9.752 4.874 -17.027 1.00 73.25 C ATOM 1455 CD1 LEU A 89 -9.704 5.011 -15.490 1.00 42.12 C ATOM 1456 CD2 LEU A 89 -11.124 4.347 -17.500 1.00 4.13 C ATOM 0 H LEU A 89 -7.318 5.220 -18.667 1.00 21.42 H new ATOM 0 HA LEU A 89 -9.882 5.509 -19.730 1.00 24.21 H new ATOM 0 HB2 LEU A 89 -8.518 6.644 -17.251 1.00 74.31 H new ATOM 0 HB3 LEU A 89 -10.217 6.919 -17.581 1.00 74.31 H new ATOM 0 HG LEU A 89 -8.995 4.142 -17.309 1.00 73.25 H new ATOM 0 HD11 LEU A 89 -9.957 4.055 -15.031 1.00 42.12 H new ATOM 0 HD12 LEU A 89 -8.701 5.307 -15.182 1.00 42.12 H new ATOM 0 HD13 LEU A 89 -10.420 5.768 -15.170 1.00 42.12 H new ATOM 0 HD21 LEU A 89 -11.349 3.410 -16.991 1.00 4.13 H new ATOM 0 HD22 LEU A 89 -11.896 5.081 -17.267 1.00 4.13 H new ATOM 0 HD23 LEU A 89 -11.097 4.178 -18.576 1.00 4.13 H new ATOM 1468 N SER A 90 -8.063 8.276 -19.791 1.00 32.44 N ATOM 1469 CA SER A 90 -7.909 9.605 -20.410 1.00 25.25 C ATOM 1470 C SER A 90 -8.013 9.521 -21.945 1.00 42.35 C ATOM 1471 O SER A 90 -8.673 10.354 -22.574 1.00 51.55 O ATOM 1472 CB SER A 90 -6.563 10.224 -19.994 1.00 44.34 C ATOM 1473 OG SER A 90 -6.521 10.422 -18.592 1.00 64.44 O ATOM 0 H SER A 90 -7.243 7.976 -19.263 1.00 32.44 H new ATOM 0 HA SER A 90 -8.719 10.243 -20.057 1.00 25.25 H new ATOM 0 HB2 SER A 90 -5.746 9.571 -20.300 1.00 44.34 H new ATOM 0 HB3 SER A 90 -6.420 11.175 -20.506 1.00 44.34 H new ATOM 0 HG SER A 90 -6.407 9.558 -18.143 1.00 64.44 H new ATOM 1479 N SER A 91 -7.375 8.486 -22.522 1.00 75.14 N ATOM 1480 CA SER A 91 -7.413 8.226 -23.975 1.00 43.24 C ATOM 1481 C SER A 91 -8.839 7.843 -24.453 1.00 73.12 C ATOM 1482 O SER A 91 -9.218 8.165 -25.582 1.00 62.22 O ATOM 1483 CB SER A 91 -6.397 7.121 -24.334 1.00 12.42 C ATOM 1484 OG SER A 91 -5.096 7.467 -23.884 1.00 61.44 O ATOM 0 H SER A 91 -6.821 7.809 -21.998 1.00 75.14 H new ATOM 0 HA SER A 91 -7.139 9.145 -24.493 1.00 43.24 H new ATOM 0 HB2 SER A 91 -6.704 6.178 -23.882 1.00 12.42 H new ATOM 0 HB3 SER A 91 -6.385 6.969 -25.413 1.00 12.42 H new ATOM 0 HG SER A 91 -5.068 7.431 -22.905 1.00 61.44 H new ATOM 1490 N LEU A 92 -9.620 7.167 -23.572 1.00 61.22 N ATOM 1491 CA LEU A 92 -11.020 6.761 -23.863 1.00 12.51 C ATOM 1492 C LEU A 92 -11.946 7.999 -23.862 1.00 71.43 C ATOM 1493 O LEU A 92 -12.853 8.117 -24.697 1.00 23.22 O ATOM 1494 CB LEU A 92 -11.526 5.710 -22.827 1.00 51.23 C ATOM 1495 CG LEU A 92 -10.598 4.479 -22.569 1.00 70.11 C ATOM 1496 CD1 LEU A 92 -11.244 3.483 -21.593 1.00 34.12 C ATOM 1497 CD2 LEU A 92 -10.152 3.792 -23.877 1.00 34.32 C ATOM 0 H LEU A 92 -9.299 6.889 -22.644 1.00 61.22 H new ATOM 0 HA LEU A 92 -11.041 6.301 -24.851 1.00 12.51 H new ATOM 0 HB2 LEU A 92 -11.689 6.219 -21.877 1.00 51.23 H new ATOM 0 HB3 LEU A 92 -12.496 5.341 -23.161 1.00 51.23 H new ATOM 0 HG LEU A 92 -9.692 4.861 -22.097 1.00 70.11 H new ATOM 0 HD11 LEU A 92 -10.572 2.639 -21.436 1.00 34.12 H new ATOM 0 HD12 LEU A 92 -11.434 3.978 -20.641 1.00 34.12 H new ATOM 0 HD13 LEU A 92 -12.185 3.124 -22.009 1.00 34.12 H new ATOM 0 HD21 LEU A 92 -9.510 2.944 -23.642 1.00 34.32 H new ATOM 0 HD22 LEU A 92 -11.029 3.443 -24.422 1.00 34.32 H new ATOM 0 HD23 LEU A 92 -9.602 4.504 -24.493 1.00 34.32 H new ATOM 1509 N ILE A 93 -11.686 8.908 -22.902 1.00 52.40 N ATOM 1510 CA ILE A 93 -12.324 10.245 -22.812 1.00 43.51 C ATOM 1511 C ILE A 93 -11.960 11.088 -24.059 1.00 54.21 C ATOM 1512 O ILE A 93 -12.760 11.899 -24.547 1.00 3.11 O ATOM 1513 CB ILE A 93 -11.854 10.968 -21.478 1.00 42.21 C ATOM 1514 CG1 ILE A 93 -12.317 10.142 -20.226 1.00 53.30 C ATOM 1515 CG2 ILE A 93 -12.349 12.436 -21.396 1.00 31.04 C ATOM 1516 CD1 ILE A 93 -11.677 10.548 -18.902 1.00 0.43 C ATOM 0 H ILE A 93 -11.016 8.735 -22.153 1.00 52.40 H new ATOM 0 HA ILE A 93 -13.408 10.134 -22.783 1.00 43.51 H new ATOM 0 HB ILE A 93 -10.765 11.010 -21.491 1.00 42.21 H new ATOM 0 HG12 ILE A 93 -13.399 10.234 -20.131 1.00 53.30 H new ATOM 0 HG13 ILE A 93 -12.102 9.089 -20.407 1.00 53.30 H new ATOM 0 HG21 ILE A 93 -12.001 12.886 -20.466 1.00 31.04 H new ATOM 0 HG22 ILE A 93 -11.955 13.000 -22.241 1.00 31.04 H new ATOM 0 HG23 ILE A 93 -13.439 12.455 -21.423 1.00 31.04 H new ATOM 0 HD11 ILE A 93 -12.064 9.917 -18.102 1.00 0.43 H new ATOM 0 HD12 ILE A 93 -10.596 10.427 -18.968 1.00 0.43 H new ATOM 0 HD13 ILE A 93 -11.913 11.590 -18.688 1.00 0.43 H new ATOM 1528 N GLY A 94 -10.743 10.850 -24.569 1.00 4.14 N ATOM 1529 CA GLY A 94 -10.257 11.485 -25.791 1.00 21.35 C ATOM 1530 C GLY A 94 -9.518 12.777 -25.521 1.00 11.30 C ATOM 1531 O GLY A 94 -9.462 13.657 -26.388 1.00 15.25 O ATOM 0 H GLY A 94 -10.072 10.211 -24.142 1.00 4.14 H new ATOM 0 HA2 GLY A 94 -9.596 10.796 -26.316 1.00 21.35 H new ATOM 0 HA3 GLY A 94 -11.100 11.684 -26.452 1.00 21.35 H new ATOM 1535 N GLN A 95 -8.936 12.886 -24.314 1.00 45.13 N ATOM 1536 CA GLN A 95 -8.192 14.067 -23.862 1.00 2.21 C ATOM 1537 C GLN A 95 -6.921 13.632 -23.107 1.00 15.34 C ATOM 1538 O GLN A 95 -6.798 12.487 -22.664 1.00 51.53 O ATOM 1539 CB GLN A 95 -9.083 14.975 -22.956 1.00 63.04 C ATOM 1540 CG GLN A 95 -10.303 15.614 -23.661 1.00 44.01 C ATOM 1541 CD GLN A 95 -9.916 16.553 -24.815 1.00 2.34 C ATOM 1542 OE1 GLN A 95 -8.879 17.219 -24.785 1.00 32.44 O ATOM 1543 NE2 GLN A 95 -10.724 16.587 -25.857 1.00 44.52 N ATOM 0 H GLN A 95 -8.972 12.142 -23.617 1.00 45.13 H new ATOM 0 HA GLN A 95 -7.902 14.648 -24.737 1.00 2.21 H new ATOM 0 HB2 GLN A 95 -9.440 14.382 -22.114 1.00 63.04 H new ATOM 0 HB3 GLN A 95 -8.463 15.772 -22.545 1.00 63.04 H new ATOM 0 HG2 GLN A 95 -10.947 14.823 -24.046 1.00 44.01 H new ATOM 0 HG3 GLN A 95 -10.886 16.172 -22.928 1.00 44.01 H new ATOM 0 HE21 GLN A 95 -11.577 16.027 -25.860 1.00 44.52 H new ATOM 0 HE22 GLN A 95 -10.496 17.173 -26.660 1.00 44.52 H new ATOM 1552 N VAL A 96 -5.990 14.571 -22.979 1.00 35.11 N ATOM 1553 CA VAL A 96 -4.690 14.370 -22.301 1.00 4.22 C ATOM 1554 C VAL A 96 -4.710 15.035 -20.913 1.00 45.44 C ATOM 1555 O VAL A 96 -5.201 16.161 -20.785 1.00 2.22 O ATOM 1556 CB VAL A 96 -3.523 14.967 -23.175 1.00 64.23 C ATOM 1557 CG1 VAL A 96 -2.159 14.901 -22.451 1.00 73.42 C ATOM 1558 CG2 VAL A 96 -3.460 14.264 -24.552 1.00 54.10 C ATOM 0 H VAL A 96 -6.108 15.515 -23.346 1.00 35.11 H new ATOM 0 HA VAL A 96 -4.520 13.301 -22.175 1.00 4.22 H new ATOM 0 HB VAL A 96 -3.743 16.022 -23.336 1.00 64.23 H new ATOM 0 HG11 VAL A 96 -1.386 15.324 -23.092 1.00 73.42 H new ATOM 0 HG12 VAL A 96 -2.212 15.470 -21.523 1.00 73.42 H new ATOM 0 HG13 VAL A 96 -1.916 13.862 -22.226 1.00 73.42 H new ATOM 0 HG21 VAL A 96 -2.648 14.690 -25.141 1.00 54.10 H new ATOM 0 HG22 VAL A 96 -3.284 13.198 -24.409 1.00 54.10 H new ATOM 0 HG23 VAL A 96 -4.404 14.408 -25.078 1.00 54.10 H new ATOM 1568 N LEU A 97 -4.164 14.334 -19.896 1.00 2.33 N ATOM 1569 CA LEU A 97 -4.152 14.798 -18.490 1.00 52.25 C ATOM 1570 C LEU A 97 -3.424 16.142 -18.339 1.00 65.11 C ATOM 1571 O LEU A 97 -3.921 17.057 -17.675 1.00 60.04 O ATOM 1572 CB LEU A 97 -3.496 13.728 -17.577 1.00 74.00 C ATOM 1573 CG LEU A 97 -3.508 14.025 -16.040 1.00 3.31 C ATOM 1574 CD1 LEU A 97 -4.949 14.112 -15.490 1.00 54.44 C ATOM 1575 CD2 LEU A 97 -2.674 12.980 -15.264 1.00 61.11 C ATOM 0 H LEU A 97 -3.717 13.426 -20.027 1.00 2.33 H new ATOM 0 HA LEU A 97 -5.187 14.947 -18.184 1.00 52.25 H new ATOM 0 HB2 LEU A 97 -4.002 12.778 -17.746 1.00 74.00 H new ATOM 0 HB3 LEU A 97 -2.461 13.598 -17.892 1.00 74.00 H new ATOM 0 HG LEU A 97 -3.044 15.000 -15.891 1.00 3.31 H new ATOM 0 HD11 LEU A 97 -4.918 14.319 -14.420 1.00 54.44 H new ATOM 0 HD12 LEU A 97 -5.485 14.913 -15.999 1.00 54.44 H new ATOM 0 HD13 LEU A 97 -5.462 13.166 -15.662 1.00 54.44 H new ATOM 0 HD21 LEU A 97 -2.700 13.211 -14.199 1.00 61.11 H new ATOM 0 HD22 LEU A 97 -3.090 11.986 -15.430 1.00 61.11 H new ATOM 0 HD23 LEU A 97 -1.642 13.004 -15.615 1.00 61.11 H new ATOM 1587 N PHE A 98 -2.242 16.243 -18.962 1.00 31.22 N ATOM 1588 CA PHE A 98 -1.412 17.454 -18.916 1.00 15.31 C ATOM 1589 C PHE A 98 -1.610 18.292 -20.191 1.00 64.33 C ATOM 1590 O PHE A 98 -1.078 17.979 -21.263 1.00 22.52 O ATOM 1591 CB PHE A 98 0.078 17.080 -18.701 1.00 24.43 C ATOM 1592 CG PHE A 98 0.346 16.441 -17.335 1.00 71.45 C ATOM 1593 CD1 PHE A 98 0.629 15.082 -17.207 1.00 53.13 C ATOM 1594 CD2 PHE A 98 0.296 17.213 -16.171 1.00 51.31 C ATOM 1595 CE1 PHE A 98 0.846 14.514 -15.967 1.00 64.41 C ATOM 1596 CE2 PHE A 98 0.518 16.642 -14.932 1.00 53.52 C ATOM 1597 CZ PHE A 98 0.795 15.293 -14.833 1.00 73.52 C ATOM 0 H PHE A 98 -1.834 15.487 -19.512 1.00 31.22 H new ATOM 0 HA PHE A 98 -1.725 18.065 -18.070 1.00 15.31 H new ATOM 0 HB2 PHE A 98 0.390 16.391 -19.485 1.00 24.43 H new ATOM 0 HB3 PHE A 98 0.690 17.976 -18.802 1.00 24.43 H new ATOM 0 HD1 PHE A 98 0.679 14.464 -18.091 1.00 53.13 H new ATOM 0 HD2 PHE A 98 0.081 18.269 -16.241 1.00 51.31 H new ATOM 0 HE1 PHE A 98 1.056 13.458 -15.887 1.00 64.41 H new ATOM 0 HE2 PHE A 98 0.475 17.251 -14.041 1.00 53.52 H new ATOM 0 HZ PHE A 98 0.972 14.848 -13.865 1.00 73.52 H new ATOM 1607 N GLN A 99 -2.421 19.338 -20.046 1.00 0.01 N ATOM 1608 CA GLN A 99 -2.715 20.340 -21.097 1.00 3.10 C ATOM 1609 C GLN A 99 -2.453 21.756 -20.548 1.00 11.52 C ATOM 1610 O GLN A 99 -2.669 22.757 -21.240 1.00 25.41 O ATOM 1611 CB GLN A 99 -4.182 20.199 -21.603 1.00 24.45 C ATOM 1612 CG GLN A 99 -5.308 20.538 -20.592 1.00 55.24 C ATOM 1613 CD GLN A 99 -5.363 19.598 -19.382 1.00 33.24 C ATOM 1614 OE1 GLN A 99 -4.737 19.845 -18.357 1.00 71.14 O ATOM 1615 NE2 GLN A 99 -6.091 18.510 -19.496 1.00 31.32 N ATOM 0 H GLN A 99 -2.912 19.527 -19.172 1.00 0.01 H new ATOM 0 HA GLN A 99 -2.057 20.165 -21.948 1.00 3.10 H new ATOM 0 HB2 GLN A 99 -4.304 20.842 -22.475 1.00 24.45 H new ATOM 0 HB3 GLN A 99 -4.327 19.173 -21.941 1.00 24.45 H new ATOM 0 HG2 GLN A 99 -5.170 21.560 -20.239 1.00 55.24 H new ATOM 0 HG3 GLN A 99 -6.268 20.506 -21.108 1.00 55.24 H new ATOM 0 HE21 GLN A 99 -6.603 18.327 -20.359 1.00 31.32 H new ATOM 0 HE22 GLN A 99 -6.144 17.849 -18.721 1.00 31.32 H new ATOM 1624 N GLY A 100 -1.990 21.806 -19.289 1.00 0.04 N ATOM 1625 CA GLY A 100 -1.617 23.038 -18.605 1.00 3.54 C ATOM 1626 C GLY A 100 -0.742 22.727 -17.393 1.00 42.00 C ATOM 1627 O GLY A 100 -0.833 21.608 -16.859 1.00 52.12 O ATOM 0 H GLY A 100 -1.865 20.973 -18.714 1.00 0.04 H new ATOM 0 HA2 GLY A 100 -1.081 23.694 -19.290 1.00 3.54 H new ATOM 0 HA3 GLY A 100 -2.513 23.572 -18.288 1.00 3.54 H new ATOM 1631 N PRO A 101 0.122 23.687 -16.921 1.00 2.14 N ATOM 1632 CA PRO A 101 1.071 23.434 -15.800 1.00 31.31 C ATOM 1633 C PRO A 101 0.347 23.128 -14.467 1.00 52.51 C ATOM 1634 O PRO A 101 0.887 22.418 -13.606 1.00 74.42 O ATOM 1635 CB PRO A 101 1.908 24.739 -15.734 1.00 11.13 C ATOM 1636 CG PRO A 101 1.037 25.791 -16.359 1.00 52.13 C ATOM 1637 CD PRO A 101 0.246 25.081 -17.443 1.00 70.00 C ATOM 0 HA PRO A 101 1.686 22.549 -15.965 1.00 31.31 H new ATOM 0 HB2 PRO A 101 2.159 24.995 -14.705 1.00 11.13 H new ATOM 0 HB3 PRO A 101 2.848 24.633 -16.275 1.00 11.13 H new ATOM 0 HG2 PRO A 101 0.373 26.239 -15.620 1.00 52.13 H new ATOM 0 HG3 PRO A 101 1.638 26.598 -16.778 1.00 52.13 H new ATOM 0 HD2 PRO A 101 -0.730 25.542 -17.596 1.00 70.00 H new ATOM 0 HD3 PRO A 101 0.764 25.107 -18.402 1.00 70.00 H new ATOM 1645 N SER A 102 -0.873 23.674 -14.314 1.00 51.22 N ATOM 1646 CA SER A 102 -1.783 23.336 -13.212 1.00 42.44 C ATOM 1647 C SER A 102 -3.184 23.067 -13.788 1.00 13.12 C ATOM 1648 O SER A 102 -4.031 23.973 -13.858 1.00 11.12 O ATOM 1649 CB SER A 102 -1.803 24.468 -12.155 1.00 22.13 C ATOM 1650 OG SER A 102 -2.651 24.151 -11.062 1.00 51.02 O ATOM 0 H SER A 102 -1.255 24.367 -14.958 1.00 51.22 H new ATOM 0 HA SER A 102 -1.435 22.436 -12.705 1.00 42.44 H new ATOM 0 HB2 SER A 102 -0.791 24.644 -11.791 1.00 22.13 H new ATOM 0 HB3 SER A 102 -2.140 25.394 -12.620 1.00 22.13 H new ATOM 0 HG SER A 102 -2.638 24.886 -10.414 1.00 51.02 H new ATOM 1656 N ALA A 103 -3.392 21.817 -14.254 1.00 74.51 N ATOM 1657 CA ALA A 103 -4.673 21.361 -14.817 1.00 70.21 C ATOM 1658 C ALA A 103 -4.683 19.830 -14.999 1.00 32.03 C ATOM 1659 O ALA A 103 -3.622 19.207 -15.140 1.00 73.25 O ATOM 1660 CB ALA A 103 -4.965 22.066 -16.154 1.00 53.14 C ATOM 0 H ALA A 103 -2.671 21.096 -14.249 1.00 74.51 H new ATOM 0 HA ALA A 103 -5.461 21.624 -14.111 1.00 70.21 H new ATOM 0 HB1 ALA A 103 -5.917 21.713 -16.551 1.00 53.14 H new ATOM 0 HB2 ALA A 103 -5.016 23.143 -15.994 1.00 53.14 H new ATOM 0 HB3 ALA A 103 -4.170 21.842 -16.865 1.00 53.14 H new ATOM 1666 N GLY A 104 -5.898 19.240 -14.984 1.00 1.41 N ATOM 1667 CA GLY A 104 -6.088 17.794 -15.165 1.00 50.31 C ATOM 1668 C GLY A 104 -7.272 17.479 -16.074 1.00 14.13 C ATOM 1669 O GLY A 104 -7.562 18.239 -17.004 1.00 61.24 O ATOM 0 H GLY A 104 -6.768 19.755 -14.846 1.00 1.41 H new ATOM 0 HA2 GLY A 104 -5.182 17.360 -15.588 1.00 50.31 H new ATOM 0 HA3 GLY A 104 -6.243 17.325 -14.193 1.00 50.31 H new ATOM 1673 N LEU A 105 -7.964 16.347 -15.815 1.00 54.30 N ATOM 1674 CA LEU A 105 -9.158 15.922 -16.592 1.00 30.22 C ATOM 1675 C LEU A 105 -10.349 15.655 -15.669 1.00 2.54 C ATOM 1676 O LEU A 105 -10.170 15.341 -14.484 1.00 42.23 O ATOM 1677 CB LEU A 105 -8.867 14.656 -17.451 1.00 75.32 C ATOM 1678 CG LEU A 105 -7.872 14.835 -18.635 1.00 31.54 C ATOM 1679 CD1 LEU A 105 -7.753 13.539 -19.455 1.00 54.02 C ATOM 1680 CD2 LEU A 105 -8.262 16.020 -19.539 1.00 33.13 C ATOM 0 H LEU A 105 -7.715 15.702 -15.065 1.00 54.30 H new ATOM 0 HA LEU A 105 -9.406 16.743 -17.264 1.00 30.22 H new ATOM 0 HB2 LEU A 105 -8.478 13.879 -16.793 1.00 75.32 H new ATOM 0 HB3 LEU A 105 -9.812 14.291 -17.852 1.00 75.32 H new ATOM 0 HG LEU A 105 -6.896 15.061 -18.205 1.00 31.54 H new ATOM 0 HD11 LEU A 105 -7.052 13.691 -20.276 1.00 54.02 H new ATOM 0 HD12 LEU A 105 -7.392 12.735 -18.814 1.00 54.02 H new ATOM 0 HD13 LEU A 105 -8.730 13.272 -19.857 1.00 54.02 H new ATOM 0 HD21 LEU A 105 -7.542 16.110 -20.352 1.00 33.13 H new ATOM 0 HD22 LEU A 105 -9.256 15.851 -19.952 1.00 33.13 H new ATOM 0 HD23 LEU A 105 -8.264 16.939 -18.953 1.00 33.13 H new ATOM 1692 N VAL A 106 -11.561 15.762 -16.279 1.00 34.14 N ATOM 1693 CA VAL A 106 -12.898 15.554 -15.661 1.00 12.33 C ATOM 1694 C VAL A 106 -13.010 15.997 -14.165 1.00 63.13 C ATOM 1695 O VAL A 106 -13.376 15.192 -13.295 1.00 3.01 O ATOM 1696 CB VAL A 106 -13.429 14.074 -15.892 1.00 14.42 C ATOM 1697 CG1 VAL A 106 -13.665 13.798 -17.398 1.00 33.35 C ATOM 1698 CG2 VAL A 106 -12.488 13.003 -15.273 1.00 1.41 C ATOM 0 H VAL A 106 -11.634 16.008 -17.266 1.00 34.14 H new ATOM 0 HA VAL A 106 -13.561 16.237 -16.193 1.00 12.33 H new ATOM 0 HB VAL A 106 -14.384 13.996 -15.372 1.00 14.42 H new ATOM 0 HG11 VAL A 106 -14.028 12.779 -17.529 1.00 33.35 H new ATOM 0 HG12 VAL A 106 -14.405 14.499 -17.785 1.00 33.35 H new ATOM 0 HG13 VAL A 106 -12.728 13.922 -17.942 1.00 33.35 H new ATOM 0 HG21 VAL A 106 -12.896 12.009 -15.459 1.00 1.41 H new ATOM 0 HG22 VAL A 106 -11.500 13.080 -15.727 1.00 1.41 H new ATOM 0 HG23 VAL A 106 -12.407 13.167 -14.198 1.00 1.41 H new ATOM 1708 N PRO A 107 -12.744 17.312 -13.855 1.00 41.04 N ATOM 1709 CA PRO A 107 -12.800 17.831 -12.464 1.00 23.11 C ATOM 1710 C PRO A 107 -14.242 18.209 -12.049 1.00 55.33 C ATOM 1711 O PRO A 107 -14.480 18.675 -10.930 1.00 42.53 O ATOM 1712 CB PRO A 107 -11.883 19.071 -12.562 1.00 32.41 C ATOM 1713 CG PRO A 107 -12.152 19.624 -13.937 1.00 71.24 C ATOM 1714 CD PRO A 107 -12.434 18.421 -14.827 1.00 10.11 C ATOM 0 HA PRO A 107 -12.489 17.110 -11.708 1.00 23.11 H new ATOM 0 HB2 PRO A 107 -12.117 19.801 -11.787 1.00 32.41 H new ATOM 0 HB3 PRO A 107 -10.834 18.801 -12.440 1.00 32.41 H new ATOM 0 HG2 PRO A 107 -13.002 20.307 -13.923 1.00 71.24 H new ATOM 0 HG3 PRO A 107 -11.295 20.189 -14.305 1.00 71.24 H new ATOM 0 HD2 PRO A 107 -13.272 18.609 -15.498 1.00 10.11 H new ATOM 0 HD3 PRO A 107 -11.574 18.176 -15.451 1.00 10.11 H new ATOM 1722 N ARG A 108 -15.172 18.003 -12.997 1.00 35.33 N ATOM 1723 CA ARG A 108 -16.600 18.306 -12.868 1.00 35.15 C ATOM 1724 C ARG A 108 -17.390 17.402 -13.838 1.00 4.45 C ATOM 1725 O ARG A 108 -18.412 17.806 -14.410 1.00 34.31 O ATOM 1726 CB ARG A 108 -16.839 19.818 -13.130 1.00 22.43 C ATOM 1727 CG ARG A 108 -16.254 20.340 -14.462 1.00 52.34 C ATOM 1728 CD ARG A 108 -16.452 21.857 -14.634 1.00 63.31 C ATOM 1729 NE ARG A 108 -15.846 22.369 -15.869 1.00 4.35 N ATOM 1730 CZ ARG A 108 -15.760 23.670 -16.192 1.00 63.42 C ATOM 1731 NH1 ARG A 108 -16.245 24.613 -15.382 1.00 23.04 N ATOM 1732 NH2 ARG A 108 -15.210 24.020 -17.344 1.00 41.44 N ATOM 0 H ARG A 108 -14.937 17.606 -13.907 1.00 35.33 H new ATOM 0 HA ARG A 108 -16.952 18.099 -11.857 1.00 35.15 H new ATOM 0 HB2 ARG A 108 -17.912 20.010 -13.119 1.00 22.43 H new ATOM 0 HB3 ARG A 108 -16.405 20.389 -12.309 1.00 22.43 H new ATOM 0 HG2 ARG A 108 -15.190 20.108 -14.504 1.00 52.34 H new ATOM 0 HG3 ARG A 108 -16.727 19.818 -15.293 1.00 52.34 H new ATOM 0 HD2 ARG A 108 -17.518 22.082 -14.636 1.00 63.31 H new ATOM 0 HD3 ARG A 108 -16.018 22.376 -13.779 1.00 63.31 H new ATOM 0 HE ARG A 108 -15.464 21.690 -16.527 1.00 4.35 H new ATOM 0 HH11 ARG A 108 -16.689 24.350 -14.502 1.00 23.04 H new ATOM 0 HH12 ARG A 108 -16.171 25.596 -15.643 1.00 23.04 H new ATOM 0 HH21 ARG A 108 -14.856 23.304 -17.978 1.00 41.44 H new ATOM 0 HH22 ARG A 108 -15.141 25.006 -17.597 1.00 41.44 H new ATOM 1746 N GLY A 109 -16.913 16.145 -13.973 1.00 32.34 N ATOM 1747 CA GLY A 109 -17.519 15.150 -14.866 1.00 24.24 C ATOM 1748 C GLY A 109 -18.828 14.558 -14.337 1.00 35.21 C ATOM 1749 O GLY A 109 -19.572 15.214 -13.604 1.00 44.53 O ATOM 0 H GLY A 109 -16.099 15.799 -13.465 1.00 32.34 H new ATOM 0 HA2 GLY A 109 -17.706 15.612 -15.835 1.00 24.24 H new ATOM 0 HA3 GLY A 109 -16.806 14.342 -15.030 1.00 24.24 H new ATOM 1753 N SER A 110 -19.117 13.306 -14.722 1.00 62.22 N ATOM 1754 CA SER A 110 -20.366 12.623 -14.345 1.00 32.23 C ATOM 1755 C SER A 110 -20.173 11.713 -13.106 1.00 64.13 C ATOM 1756 O SER A 110 -19.959 10.497 -13.242 1.00 25.44 O ATOM 1757 CB SER A 110 -20.917 11.837 -15.571 1.00 35.34 C ATOM 1758 OG SER A 110 -19.941 10.958 -16.107 1.00 53.55 O ATOM 0 H SER A 110 -18.496 12.740 -15.300 1.00 62.22 H new ATOM 0 HA SER A 110 -21.103 13.372 -14.055 1.00 32.23 H new ATOM 0 HB2 SER A 110 -21.797 11.267 -15.273 1.00 35.34 H new ATOM 0 HB3 SER A 110 -21.237 12.539 -16.341 1.00 35.34 H new ATOM 0 HG SER A 110 -19.547 10.426 -15.384 1.00 53.55 H new ATOM 1764 N GLY A 111 -20.170 12.346 -11.912 1.00 20.44 N ATOM 1765 CA GLY A 111 -20.274 11.650 -10.620 1.00 64.31 C ATOM 1766 C GLY A 111 -19.152 10.658 -10.316 1.00 14.20 C ATOM 1767 O GLY A 111 -18.120 11.040 -9.752 1.00 55.23 O ATOM 0 H GLY A 111 -20.095 13.359 -11.822 1.00 20.44 H new ATOM 0 HA2 GLY A 111 -20.301 12.396 -9.826 1.00 64.31 H new ATOM 0 HA3 GLY A 111 -21.225 11.118 -10.589 1.00 64.31 H new ATOM 1771 N GLY A 112 -19.369 9.379 -10.697 1.00 72.50 N ATOM 1772 CA GLY A 112 -18.475 8.274 -10.328 1.00 1.32 C ATOM 1773 C GLY A 112 -17.100 8.331 -10.977 1.00 53.40 C ATOM 1774 O GLY A 112 -16.152 7.724 -10.461 1.00 30.00 O ATOM 0 H GLY A 112 -20.166 9.092 -11.265 1.00 72.50 H new ATOM 0 HA2 GLY A 112 -18.352 8.269 -9.245 1.00 1.32 H new ATOM 0 HA3 GLY A 112 -18.952 7.332 -10.599 1.00 1.32 H new ATOM 1778 N ILE A 113 -16.991 9.038 -12.120 1.00 22.31 N ATOM 1779 CA ILE A 113 -15.701 9.245 -12.806 1.00 63.13 C ATOM 1780 C ILE A 113 -14.829 10.230 -12.003 1.00 15.01 C ATOM 1781 O ILE A 113 -13.615 10.065 -11.930 1.00 62.21 O ATOM 1782 CB ILE A 113 -15.884 9.733 -14.300 1.00 11.20 C ATOM 1783 CG1 ILE A 113 -14.510 9.770 -15.051 1.00 35.54 C ATOM 1784 CG2 ILE A 113 -16.600 11.100 -14.383 1.00 53.32 C ATOM 1785 CD1 ILE A 113 -14.583 10.146 -16.524 1.00 65.11 C ATOM 0 H ILE A 113 -17.784 9.476 -12.588 1.00 22.31 H new ATOM 0 HA ILE A 113 -15.195 8.281 -12.856 1.00 63.13 H new ATOM 0 HB ILE A 113 -16.526 9.006 -14.798 1.00 11.20 H new ATOM 0 HG12 ILE A 113 -13.857 10.480 -14.544 1.00 35.54 H new ATOM 0 HG13 ILE A 113 -14.042 8.789 -14.966 1.00 35.54 H new ATOM 0 HG21 ILE A 113 -16.703 11.394 -15.428 1.00 53.32 H new ATOM 0 HG22 ILE A 113 -17.588 11.021 -13.929 1.00 53.32 H new ATOM 0 HG23 ILE A 113 -16.015 11.850 -13.851 1.00 53.32 H new ATOM 0 HD11 ILE A 113 -13.580 10.143 -16.951 1.00 65.11 H new ATOM 0 HD12 ILE A 113 -15.205 9.424 -17.053 1.00 65.11 H new ATOM 0 HD13 ILE A 113 -15.017 11.141 -16.624 1.00 65.11 H new ATOM 1797 N GLU A 114 -15.486 11.234 -11.375 1.00 10.54 N ATOM 1798 CA GLU A 114 -14.823 12.214 -10.497 1.00 62.34 C ATOM 1799 C GLU A 114 -14.260 11.487 -9.266 1.00 65.10 C ATOM 1800 O GLU A 114 -13.119 11.727 -8.861 1.00 33.10 O ATOM 1801 CB GLU A 114 -15.827 13.310 -10.061 1.00 0.13 C ATOM 1802 CG GLU A 114 -16.457 14.093 -11.229 1.00 1.22 C ATOM 1803 CD GLU A 114 -17.516 15.103 -10.760 1.00 64.02 C ATOM 1804 OE1 GLU A 114 -18.722 14.774 -10.786 1.00 43.23 O ATOM 1805 OE2 GLU A 114 -17.144 16.220 -10.339 1.00 54.30 O ATOM 0 H GLU A 114 -16.491 11.383 -11.466 1.00 10.54 H new ATOM 0 HA GLU A 114 -14.008 12.694 -11.039 1.00 62.34 H new ATOM 0 HB2 GLU A 114 -16.623 12.846 -9.479 1.00 0.13 H new ATOM 0 HB3 GLU A 114 -15.317 14.012 -9.401 1.00 0.13 H new ATOM 0 HG2 GLU A 114 -15.673 14.620 -11.773 1.00 1.22 H new ATOM 0 HG3 GLU A 114 -16.913 13.392 -11.928 1.00 1.22 H new ATOM 1812 N GLY A 115 -15.089 10.575 -8.709 1.00 43.20 N ATOM 1813 CA GLY A 115 -14.681 9.706 -7.611 1.00 22.32 C ATOM 1814 C GLY A 115 -13.447 8.888 -7.966 1.00 13.31 C ATOM 1815 O GLY A 115 -12.409 9.054 -7.342 1.00 14.12 O ATOM 0 H GLY A 115 -16.051 10.431 -9.014 1.00 43.20 H new ATOM 0 HA2 GLY A 115 -14.475 10.310 -6.727 1.00 22.32 H new ATOM 0 HA3 GLY A 115 -15.501 9.035 -7.355 1.00 22.32 H new ATOM 1819 N MET A1001 -13.560 8.095 -9.046 1.00 42.22 N ATOM 1820 CA MET A1001 -12.497 7.193 -9.536 1.00 14.54 C ATOM 1821 C MET A1001 -11.151 7.929 -9.746 1.00 1.13 C ATOM 1822 O MET A1001 -10.124 7.514 -9.197 1.00 64.21 O ATOM 1823 CB MET A1001 -12.969 6.533 -10.863 1.00 60.12 C ATOM 1824 CG MET A1001 -11.967 5.562 -11.514 1.00 21.02 C ATOM 1825 SD MET A1001 -12.571 4.892 -13.084 1.00 55.11 S ATOM 1826 CE MET A1001 -12.854 6.384 -14.048 1.00 32.03 C ATOM 0 H MET A1001 -14.406 8.061 -9.614 1.00 42.22 H new ATOM 0 HA MET A1001 -12.320 6.430 -8.778 1.00 14.54 H new ATOM 0 HB2 MET A1001 -13.897 5.995 -10.671 1.00 60.12 H new ATOM 0 HB3 MET A1001 -13.201 7.322 -11.578 1.00 60.12 H new ATOM 0 HG2 MET A1001 -11.022 6.079 -11.683 1.00 21.02 H new ATOM 0 HG3 MET A1001 -11.763 4.741 -10.827 1.00 21.02 H new ATOM 0 HE1 MET A1001 -12.685 6.172 -15.104 1.00 32.03 H new ATOM 0 HE2 MET A1001 -13.881 6.720 -13.905 1.00 32.03 H new ATOM 0 HE3 MET A1001 -12.168 7.165 -13.720 1.00 32.03 H new ATOM 1836 N THR A1002 -11.187 9.037 -10.504 1.00 72.14 N ATOM 1837 CA THR A1002 -9.981 9.788 -10.885 1.00 24.33 C ATOM 1838 C THR A1002 -9.324 10.460 -9.669 1.00 41.14 C ATOM 1839 O THR A1002 -8.157 10.202 -9.401 1.00 43.52 O ATOM 1840 CB THR A1002 -10.286 10.857 -11.985 1.00 44.44 C ATOM 1841 OG1 THR A1002 -11.383 11.691 -11.566 1.00 1.21 O ATOM 1842 CG2 THR A1002 -10.608 10.204 -13.344 1.00 72.45 C ATOM 0 H THR A1002 -12.052 9.436 -10.869 1.00 72.14 H new ATOM 0 HA THR A1002 -9.281 9.061 -11.298 1.00 24.33 H new ATOM 0 HB THR A1002 -9.391 11.466 -12.115 1.00 44.44 H new ATOM 0 HG1 THR A1002 -12.227 11.209 -11.691 1.00 1.21 H new ATOM 0 HG21 THR A1002 -10.814 10.980 -14.081 1.00 72.45 H new ATOM 0 HG22 THR A1002 -9.756 9.609 -13.673 1.00 72.45 H new ATOM 0 HG23 THR A1002 -11.482 9.561 -13.241 1.00 72.45 H new ATOM 1850 N THR A1003 -10.098 11.279 -8.920 1.00 4.10 N ATOM 1851 CA THR A1003 -9.566 12.059 -7.784 1.00 62.34 C ATOM 1852 C THR A1003 -8.975 11.124 -6.699 1.00 64.13 C ATOM 1853 O THR A1003 -7.849 11.355 -6.228 1.00 31.31 O ATOM 1854 CB THR A1003 -10.666 12.981 -7.173 1.00 73.21 C ATOM 1855 OG1 THR A1003 -11.245 13.788 -8.219 1.00 52.14 O ATOM 1856 CG2 THR A1003 -10.124 13.903 -6.060 1.00 13.31 C ATOM 0 H THR A1003 -11.095 11.415 -9.085 1.00 4.10 H new ATOM 0 HA THR A1003 -8.764 12.693 -8.163 1.00 62.34 H new ATOM 0 HB THR A1003 -11.416 12.333 -6.720 1.00 73.21 H new ATOM 0 HG1 THR A1003 -11.983 13.299 -8.639 1.00 52.14 H new ATOM 0 HG21 THR A1003 -10.934 14.521 -5.673 1.00 13.31 H new ATOM 0 HG22 THR A1003 -9.713 13.296 -5.253 1.00 13.31 H new ATOM 0 HG23 THR A1003 -9.342 14.544 -6.467 1.00 13.31 H new ATOM 1864 N ARG A1004 -9.724 10.042 -6.380 1.00 24.42 N ATOM 1865 CA ARG A1004 -9.288 9.018 -5.415 1.00 2.11 C ATOM 1866 C ARG A1004 -7.954 8.403 -5.854 1.00 43.14 C ATOM 1867 O ARG A1004 -6.966 8.589 -5.163 1.00 44.12 O ATOM 1868 CB ARG A1004 -10.345 7.896 -5.234 1.00 23.14 C ATOM 1869 CG ARG A1004 -11.617 8.306 -4.466 1.00 24.54 C ATOM 1870 CD ARG A1004 -12.588 7.128 -4.252 1.00 20.34 C ATOM 1871 NE ARG A1004 -13.932 7.591 -3.849 1.00 3.41 N ATOM 1872 CZ ARG A1004 -15.060 7.376 -4.551 1.00 24.40 C ATOM 1873 NH1 ARG A1004 -15.037 6.682 -5.694 1.00 4.21 N ATOM 1874 NH2 ARG A1004 -16.209 7.881 -4.117 1.00 44.51 N ATOM 0 H ARG A1004 -10.642 9.860 -6.785 1.00 24.42 H new ATOM 0 HA ARG A1004 -9.163 9.518 -4.454 1.00 2.11 H new ATOM 0 HB2 ARG A1004 -10.637 7.532 -6.219 1.00 23.14 H new ATOM 0 HB3 ARG A1004 -9.878 7.061 -4.711 1.00 23.14 H new ATOM 0 HG2 ARG A1004 -11.335 8.719 -3.498 1.00 24.54 H new ATOM 0 HG3 ARG A1004 -12.128 9.098 -5.014 1.00 24.54 H new ATOM 0 HD2 ARG A1004 -12.664 6.548 -5.172 1.00 20.34 H new ATOM 0 HD3 ARG A1004 -12.189 6.462 -3.487 1.00 20.34 H new ATOM 0 HE ARG A1004 -14.011 8.111 -2.975 1.00 3.41 H new ATOM 0 HH11 ARG A1004 -14.156 6.307 -6.045 1.00 4.21 H new ATOM 0 HH12 ARG A1004 -15.901 6.528 -6.214 1.00 4.21 H new ATOM 0 HH21 ARG A1004 -16.233 8.428 -3.256 1.00 44.51 H new ATOM 0 HH22 ARG A1004 -17.068 7.722 -4.644 1.00 44.51 H new ATOM 1888 N LEU A1005 -7.936 7.750 -7.049 1.00 32.32 N ATOM 1889 CA LEU A1005 -6.758 6.997 -7.533 1.00 62.21 C ATOM 1890 C LEU A1005 -5.515 7.889 -7.718 1.00 60.42 C ATOM 1891 O LEU A1005 -4.415 7.444 -7.434 1.00 52.42 O ATOM 1892 CB LEU A1005 -7.075 6.218 -8.842 1.00 31.53 C ATOM 1893 CG LEU A1005 -7.994 4.963 -8.692 1.00 21.43 C ATOM 1894 CD1 LEU A1005 -8.269 4.310 -10.063 1.00 2.43 C ATOM 1895 CD2 LEU A1005 -7.392 3.944 -7.693 1.00 11.43 C ATOM 0 H LEU A1005 -8.728 7.734 -7.691 1.00 32.32 H new ATOM 0 HA LEU A1005 -6.520 6.274 -6.752 1.00 62.21 H new ATOM 0 HB2 LEU A1005 -7.546 6.906 -9.544 1.00 31.53 H new ATOM 0 HB3 LEU A1005 -6.133 5.901 -9.289 1.00 31.53 H new ATOM 0 HG LEU A1005 -8.949 5.296 -8.286 1.00 21.43 H new ATOM 0 HD11 LEU A1005 -8.911 3.439 -9.929 1.00 2.43 H new ATOM 0 HD12 LEU A1005 -8.764 5.029 -10.716 1.00 2.43 H new ATOM 0 HD13 LEU A1005 -7.326 4.000 -10.514 1.00 2.43 H new ATOM 0 HD21 LEU A1005 -8.054 3.082 -7.610 1.00 11.43 H new ATOM 0 HD22 LEU A1005 -6.415 3.618 -8.050 1.00 11.43 H new ATOM 0 HD23 LEU A1005 -7.283 4.414 -6.715 1.00 11.43 H new ATOM 1907 N THR A1006 -5.692 9.136 -8.177 1.00 42.34 N ATOM 1908 CA THR A1006 -4.562 10.080 -8.348 1.00 73.11 C ATOM 1909 C THR A1006 -3.941 10.452 -6.978 1.00 43.04 C ATOM 1910 O THR A1006 -2.717 10.325 -6.787 1.00 2.34 O ATOM 1911 CB THR A1006 -4.985 11.367 -9.133 1.00 1.00 C ATOM 1912 OG1 THR A1006 -6.107 11.990 -8.490 1.00 52.11 O ATOM 1913 CG2 THR A1006 -5.335 11.058 -10.606 1.00 33.45 C ATOM 0 H THR A1006 -6.600 9.520 -8.437 1.00 42.34 H new ATOM 0 HA THR A1006 -3.805 9.571 -8.945 1.00 73.11 H new ATOM 0 HB THR A1006 -4.132 12.046 -9.128 1.00 1.00 H new ATOM 0 HG1 THR A1006 -6.924 11.492 -8.702 1.00 52.11 H new ATOM 0 HG21 THR A1006 -5.623 11.979 -11.113 1.00 33.45 H new ATOM 0 HG22 THR A1006 -4.466 10.626 -11.104 1.00 33.45 H new ATOM 0 HG23 THR A1006 -6.163 10.350 -10.642 1.00 33.45 H new ATOM 1921 N ARG A1007 -4.800 10.851 -6.010 1.00 22.13 N ATOM 1922 CA ARG A1007 -4.349 11.176 -4.633 1.00 70.22 C ATOM 1923 C ARG A1007 -3.834 9.912 -3.903 1.00 62.50 C ATOM 1924 O ARG A1007 -2.988 10.000 -3.003 1.00 63.11 O ATOM 1925 CB ARG A1007 -5.487 11.849 -3.834 1.00 65.15 C ATOM 1926 CG ARG A1007 -5.940 13.207 -4.414 1.00 61.51 C ATOM 1927 CD ARG A1007 -6.971 13.926 -3.525 1.00 34.22 C ATOM 1928 NE ARG A1007 -6.450 14.174 -2.166 1.00 41.21 N ATOM 1929 CZ ARG A1007 -5.726 15.246 -1.787 1.00 2.43 C ATOM 1930 NH1 ARG A1007 -5.412 16.212 -2.654 1.00 72.01 N ATOM 1931 NH2 ARG A1007 -5.293 15.331 -0.537 1.00 31.34 N ATOM 0 H ARG A1007 -5.804 10.956 -6.155 1.00 22.13 H new ATOM 0 HA ARG A1007 -3.519 11.879 -4.705 1.00 70.22 H new ATOM 0 HB2 ARG A1007 -6.343 11.175 -3.802 1.00 65.15 H new ATOM 0 HB3 ARG A1007 -5.158 11.996 -2.805 1.00 65.15 H new ATOM 0 HG2 ARG A1007 -5.069 13.849 -4.543 1.00 61.51 H new ATOM 0 HG3 ARG A1007 -6.369 13.049 -5.403 1.00 61.51 H new ATOM 0 HD2 ARG A1007 -7.249 14.874 -3.986 1.00 34.22 H new ATOM 0 HD3 ARG A1007 -7.878 13.324 -3.462 1.00 34.22 H new ATOM 0 HE ARG A1007 -6.655 13.474 -1.453 1.00 41.21 H new ATOM 0 HH11 ARG A1007 -5.721 16.147 -3.624 1.00 72.01 H new ATOM 0 HH12 ARG A1007 -4.863 17.015 -2.346 1.00 72.01 H new ATOM 0 HH21 ARG A1007 -5.508 14.589 0.129 1.00 31.34 H new ATOM 0 HH22 ARG A1007 -4.744 16.138 -0.241 1.00 31.34 H new ATOM 1945 N TRP A1008 -4.336 8.748 -4.338 1.00 5.41 N ATOM 1946 CA TRP A1008 -3.934 7.426 -3.837 1.00 41.43 C ATOM 1947 C TRP A1008 -2.513 7.097 -4.326 1.00 25.42 C ATOM 1948 O TRP A1008 -1.702 6.646 -3.529 1.00 22.04 O ATOM 1949 CB TRP A1008 -5.013 6.355 -4.258 1.00 73.42 C ATOM 1950 CG TRP A1008 -4.522 4.979 -4.670 1.00 45.41 C ATOM 1951 CD1 TRP A1008 -4.063 4.619 -5.900 1.00 3.51 C ATOM 1952 CD2 TRP A1008 -4.517 3.776 -3.888 1.00 60.24 C ATOM 1953 NE1 TRP A1008 -3.718 3.303 -5.915 1.00 72.12 N ATOM 1954 CE2 TRP A1008 -4.000 2.754 -4.703 1.00 34.10 C ATOM 1955 CE3 TRP A1008 -4.880 3.472 -2.579 1.00 41.40 C ATOM 1956 CZ2 TRP A1008 -3.839 1.451 -4.256 1.00 4.22 C ATOM 1957 CZ3 TRP A1008 -4.734 2.180 -2.137 1.00 1.30 C ATOM 1958 CH2 TRP A1008 -4.213 1.182 -2.974 1.00 23.54 C ATOM 0 H TRP A1008 -5.050 8.698 -5.065 1.00 5.41 H new ATOM 0 HA TRP A1008 -3.894 7.418 -2.748 1.00 41.43 H new ATOM 0 HB2 TRP A1008 -5.702 6.228 -3.423 1.00 73.42 H new ATOM 0 HB3 TRP A1008 -5.588 6.767 -5.087 1.00 73.42 H new ATOM 0 HD1 TRP A1008 -3.984 5.285 -6.746 1.00 3.51 H new ATOM 0 HE1 TRP A1008 -3.312 2.807 -6.709 1.00 72.12 H new ATOM 0 HE3 TRP A1008 -5.269 4.237 -1.924 1.00 41.40 H new ATOM 0 HZ2 TRP A1008 -3.434 0.682 -4.897 1.00 4.22 H new ATOM 0 HZ3 TRP A1008 -5.025 1.928 -1.128 1.00 1.30 H new ATOM 0 HH2 TRP A1008 -4.106 0.177 -2.593 1.00 23.54 H new ATOM 1969 N LEU A1009 -2.209 7.397 -5.625 1.00 23.25 N ATOM 1970 CA LEU A1009 -0.881 7.104 -6.234 1.00 41.10 C ATOM 1971 C LEU A1009 0.167 8.034 -5.605 1.00 60.52 C ATOM 1972 O LEU A1009 1.325 7.661 -5.428 1.00 4.14 O ATOM 1973 CB LEU A1009 -0.879 7.286 -7.793 1.00 40.24 C ATOM 1974 CG LEU A1009 -1.807 6.350 -8.645 1.00 13.20 C ATOM 1975 CD1 LEU A1009 -1.687 6.660 -10.154 1.00 0.44 C ATOM 1976 CD2 LEU A1009 -1.538 4.860 -8.371 1.00 31.10 C ATOM 0 H LEU A1009 -2.867 7.841 -6.266 1.00 23.25 H new ATOM 0 HA LEU A1009 -0.645 6.059 -6.035 1.00 41.10 H new ATOM 0 HB2 LEU A1009 -1.156 8.318 -8.009 1.00 40.24 H new ATOM 0 HB3 LEU A1009 0.144 7.151 -8.144 1.00 40.24 H new ATOM 0 HG LEU A1009 -2.831 6.558 -8.335 1.00 13.20 H new ATOM 0 HD11 LEU A1009 -2.342 5.994 -10.715 1.00 0.44 H new ATOM 0 HD12 LEU A1009 -1.977 7.694 -10.337 1.00 0.44 H new ATOM 0 HD13 LEU A1009 -0.656 6.510 -10.475 1.00 0.44 H new ATOM 0 HD21 LEU A1009 -2.204 4.252 -8.983 1.00 31.10 H new ATOM 0 HD22 LEU A1009 -0.503 4.626 -8.618 1.00 31.10 H new ATOM 0 HD23 LEU A1009 -1.717 4.646 -7.317 1.00 31.10 H new ATOM 1988 N THR A1010 -0.292 9.249 -5.265 1.00 32.32 N ATOM 1989 CA THR A1010 0.479 10.249 -4.526 1.00 2.40 C ATOM 1990 C THR A1010 0.828 9.750 -3.101 1.00 1.24 C ATOM 1991 O THR A1010 1.972 9.883 -2.651 1.00 73.31 O ATOM 1992 CB THR A1010 -0.338 11.576 -4.482 1.00 23.43 C ATOM 1993 OG1 THR A1010 -0.508 12.071 -5.825 1.00 42.01 O ATOM 1994 CG2 THR A1010 0.322 12.657 -3.628 1.00 73.22 C ATOM 0 H THR A1010 -1.232 9.566 -5.504 1.00 32.32 H new ATOM 0 HA THR A1010 1.427 10.426 -5.034 1.00 2.40 H new ATOM 0 HB THR A1010 -1.299 11.347 -4.022 1.00 23.43 H new ATOM 0 HG1 THR A1010 -1.223 11.570 -6.270 1.00 42.01 H new ATOM 0 HG21 THR A1010 -0.295 13.555 -3.638 1.00 73.22 H new ATOM 0 HG22 THR A1010 0.425 12.299 -2.604 1.00 73.22 H new ATOM 0 HG23 THR A1010 1.307 12.889 -4.032 1.00 73.22 H new ATOM 2002 N ALA A1011 -0.171 9.154 -2.418 1.00 24.45 N ATOM 2003 CA ALA A1011 0.006 8.550 -1.081 1.00 63.42 C ATOM 2004 C ALA A1011 0.856 7.258 -1.156 1.00 14.51 C ATOM 2005 O ALA A1011 1.495 6.873 -0.165 1.00 25.33 O ATOM 2006 CB ALA A1011 -1.366 8.280 -0.441 1.00 15.44 C ATOM 0 H ALA A1011 -1.123 9.078 -2.777 1.00 24.45 H new ATOM 0 HA ALA A1011 0.549 9.255 -0.451 1.00 63.42 H new ATOM 0 HB1 ALA A1011 -1.227 7.835 0.544 1.00 15.44 H new ATOM 0 HB2 ALA A1011 -1.912 9.218 -0.341 1.00 15.44 H new ATOM 0 HB3 ALA A1011 -1.933 7.595 -1.072 1.00 15.44 H new ATOM 2012 N LEU A1012 0.860 6.605 -2.343 1.00 52.32 N ATOM 2013 CA LEU A1012 1.691 5.419 -2.607 1.00 72.42 C ATOM 2014 C LEU A1012 3.173 5.825 -2.727 1.00 65.51 C ATOM 2015 O LEU A1012 4.040 5.186 -2.150 1.00 64.54 O ATOM 2016 CB LEU A1012 1.237 4.672 -3.901 1.00 23.32 C ATOM 2017 CG LEU A1012 -0.176 3.995 -3.892 1.00 41.54 C ATOM 2018 CD1 LEU A1012 -0.372 3.108 -5.139 1.00 63.20 C ATOM 2019 CD2 LEU A1012 -0.428 3.204 -2.595 1.00 22.22 C ATOM 0 H LEU A1012 0.287 6.889 -3.138 1.00 52.32 H new ATOM 0 HA LEU A1012 1.568 4.736 -1.766 1.00 72.42 H new ATOM 0 HB2 LEU A1012 1.263 5.384 -4.726 1.00 23.32 H new ATOM 0 HB3 LEU A1012 1.977 3.902 -4.121 1.00 23.32 H new ATOM 0 HG LEU A1012 -0.918 4.792 -3.926 1.00 41.54 H new ATOM 0 HD11 LEU A1012 -1.361 2.650 -5.108 1.00 63.20 H new ATOM 0 HD12 LEU A1012 -0.283 3.719 -6.037 1.00 63.20 H new ATOM 0 HD13 LEU A1012 0.389 2.328 -5.154 1.00 63.20 H new ATOM 0 HD21 LEU A1012 -1.419 2.751 -2.632 1.00 22.22 H new ATOM 0 HD22 LEU A1012 0.325 2.422 -2.494 1.00 22.22 H new ATOM 0 HD23 LEU A1012 -0.368 3.878 -1.740 1.00 22.22 H new ATOM 2031 N ASP A1013 3.443 6.904 -3.483 1.00 3.43 N ATOM 2032 CA ASP A1013 4.804 7.464 -3.637 1.00 10.41 C ATOM 2033 C ASP A1013 5.333 8.001 -2.301 1.00 60.55 C ATOM 2034 O ASP A1013 6.524 7.872 -2.003 1.00 4.23 O ATOM 2035 CB ASP A1013 4.822 8.578 -4.718 1.00 42.11 C ATOM 2036 CG ASP A1013 4.749 8.011 -6.143 1.00 41.51 C ATOM 2037 OD1 ASP A1013 3.781 8.288 -6.879 1.00 31.21 O ATOM 2038 OD2 ASP A1013 5.671 7.255 -6.519 1.00 23.02 O ATOM 0 H ASP A1013 2.729 7.413 -4.004 1.00 3.43 H new ATOM 0 HA ASP A1013 5.462 6.659 -3.963 1.00 10.41 H new ATOM 0 HB2 ASP A1013 3.982 9.253 -4.555 1.00 42.11 H new ATOM 0 HB3 ASP A1013 5.731 9.170 -4.611 1.00 42.11 H new ATOM 2043 N ASN A1014 4.414 8.583 -1.511 1.00 65.44 N ATOM 2044 CA ASN A1014 4.672 9.063 -0.146 1.00 71.00 C ATOM 2045 C ASN A1014 5.189 7.911 0.736 1.00 71.34 C ATOM 2046 O ASN A1014 6.277 8.001 1.337 1.00 32.42 O ATOM 2047 CB ASN A1014 3.365 9.666 0.441 1.00 34.42 C ATOM 2048 CG ASN A1014 3.484 10.097 1.900 1.00 22.13 C ATOM 2049 OD1 ASN A1014 3.832 11.231 2.204 1.00 32.14 O ATOM 2050 ND2 ASN A1014 3.197 9.187 2.814 1.00 24.12 N ATOM 0 H ASN A1014 3.451 8.735 -1.812 1.00 65.44 H new ATOM 0 HA ASN A1014 5.439 9.837 -0.170 1.00 71.00 H new ATOM 0 HB2 ASN A1014 3.072 10.527 -0.159 1.00 34.42 H new ATOM 0 HB3 ASN A1014 2.566 8.930 0.354 1.00 34.42 H new ATOM 0 HD21 ASN A1014 3.263 9.421 3.805 1.00 24.12 H new ATOM 0 HD22 ASN A1014 2.910 8.251 2.529 1.00 24.12 H new ATOM 2057 N PHE A1015 4.395 6.816 0.753 1.00 51.32 N ATOM 2058 CA PHE A1015 4.683 5.610 1.528 1.00 20.22 C ATOM 2059 C PHE A1015 6.011 4.991 1.085 1.00 64.13 C ATOM 2060 O PHE A1015 6.929 4.932 1.889 1.00 4.35 O ATOM 2061 CB PHE A1015 3.515 4.609 1.381 1.00 21.34 C ATOM 2062 CG PHE A1015 3.777 3.215 1.952 1.00 31.12 C ATOM 2063 CD1 PHE A1015 3.791 2.101 1.123 1.00 61.54 C ATOM 2064 CD2 PHE A1015 4.016 3.017 3.312 1.00 42.41 C ATOM 2065 CE1 PHE A1015 4.019 0.844 1.616 1.00 11.22 C ATOM 2066 CE2 PHE A1015 4.244 1.749 3.812 1.00 1.14 C ATOM 2067 CZ PHE A1015 4.247 0.663 2.957 1.00 54.13 C ATOM 0 H PHE A1015 3.528 6.755 0.219 1.00 51.32 H new ATOM 0 HA PHE A1015 4.781 5.872 2.581 1.00 20.22 H new ATOM 0 HB2 PHE A1015 2.636 5.026 1.872 1.00 21.34 H new ATOM 0 HB3 PHE A1015 3.272 4.511 0.323 1.00 21.34 H new ATOM 0 HD1 PHE A1015 3.618 2.229 0.065 1.00 61.54 H new ATOM 0 HD2 PHE A1015 4.023 3.864 3.982 1.00 42.41 H new ATOM 0 HE1 PHE A1015 4.019 -0.005 0.949 1.00 11.22 H new ATOM 0 HE2 PHE A1015 4.419 1.607 4.868 1.00 1.14 H new ATOM 0 HZ PHE A1015 4.429 -0.329 3.345 1.00 54.13 H new ATOM 2077 N GLU A1016 6.081 4.572 -0.205 1.00 13.15 N ATOM 2078 CA GLU A1016 7.278 3.972 -0.836 1.00 23.55 C ATOM 2079 C GLU A1016 8.565 4.720 -0.462 1.00 45.23 C ATOM 2080 O GLU A1016 9.519 4.102 0.023 1.00 4.31 O ATOM 2081 CB GLU A1016 7.134 3.956 -2.383 1.00 62.03 C ATOM 2082 CG GLU A1016 8.237 3.150 -3.117 1.00 65.14 C ATOM 2083 CD GLU A1016 8.252 3.369 -4.640 1.00 25.01 C ATOM 2084 OE1 GLU A1016 9.128 4.123 -5.138 1.00 40.44 O ATOM 2085 OE2 GLU A1016 7.393 2.807 -5.349 1.00 61.43 O ATOM 0 H GLU A1016 5.290 4.645 -0.845 1.00 13.15 H new ATOM 0 HA GLU A1016 7.351 2.952 -0.459 1.00 23.55 H new ATOM 0 HB2 GLU A1016 6.161 3.538 -2.642 1.00 62.03 H new ATOM 0 HB3 GLU A1016 7.146 4.983 -2.748 1.00 62.03 H new ATOM 0 HG2 GLU A1016 9.209 3.427 -2.709 1.00 65.14 H new ATOM 0 HG3 GLU A1016 8.096 2.089 -2.913 1.00 65.14 H new ATOM 2092 N ALA A1017 8.548 6.058 -0.652 1.00 21.53 N ATOM 2093 CA ALA A1017 9.709 6.910 -0.377 1.00 4.13 C ATOM 2094 C ALA A1017 10.129 6.819 1.090 1.00 51.22 C ATOM 2095 O ALA A1017 11.214 6.317 1.391 1.00 73.12 O ATOM 2096 CB ALA A1017 9.418 8.362 -0.765 1.00 41.22 C ATOM 0 H ALA A1017 7.734 6.566 -0.997 1.00 21.53 H new ATOM 0 HA ALA A1017 10.538 6.549 -0.985 1.00 4.13 H new ATOM 0 HB1 ALA A1017 10.292 8.977 -0.553 1.00 41.22 H new ATOM 0 HB2 ALA A1017 9.186 8.415 -1.829 1.00 41.22 H new ATOM 0 HB3 ALA A1017 8.568 8.729 -0.190 1.00 41.22 H new ATOM 2102 N LYS A1018 9.221 7.223 1.995 1.00 42.33 N ATOM 2103 CA LYS A1018 9.539 7.349 3.429 1.00 43.45 C ATOM 2104 C LYS A1018 9.875 5.983 4.079 1.00 34.32 C ATOM 2105 O LYS A1018 10.769 5.891 4.944 1.00 3.01 O ATOM 2106 CB LYS A1018 8.362 8.031 4.170 1.00 62.14 C ATOM 2107 CG LYS A1018 8.104 9.501 3.759 1.00 42.14 C ATOM 2108 CD LYS A1018 9.319 10.407 4.058 1.00 62.02 C ATOM 2109 CE LYS A1018 9.071 11.881 3.715 1.00 2.30 C ATOM 2110 NZ LYS A1018 8.761 12.074 2.273 1.00 73.04 N ATOM 0 H LYS A1018 8.260 7.468 1.759 1.00 42.33 H new ATOM 0 HA LYS A1018 10.431 7.969 3.517 1.00 43.45 H new ATOM 0 HB2 LYS A1018 7.455 7.454 3.992 1.00 62.14 H new ATOM 0 HB3 LYS A1018 8.556 7.996 5.242 1.00 62.14 H new ATOM 0 HG2 LYS A1018 7.872 9.545 2.695 1.00 42.14 H new ATOM 0 HG3 LYS A1018 7.231 9.878 4.291 1.00 42.14 H new ATOM 0 HD2 LYS A1018 9.575 10.324 5.114 1.00 62.02 H new ATOM 0 HD3 LYS A1018 10.179 10.049 3.493 1.00 62.02 H new ATOM 0 HE2 LYS A1018 8.245 12.259 4.317 1.00 2.30 H new ATOM 0 HE3 LYS A1018 9.951 12.467 3.978 1.00 2.30 H new ATOM 0 HZ1 LYS A1018 8.701 13.091 2.064 1.00 73.04 H new ATOM 0 HZ2 LYS A1018 9.513 11.646 1.696 1.00 73.04 H new ATOM 0 HZ3 LYS A1018 7.852 11.620 2.050 1.00 73.04 H new ATOM 2124 N MET A1019 9.191 4.917 3.625 1.00 43.32 N ATOM 2125 CA MET A1019 9.333 3.585 4.224 1.00 14.13 C ATOM 2126 C MET A1019 10.586 2.861 3.688 1.00 3.10 C ATOM 2127 O MET A1019 11.129 1.983 4.364 1.00 63.50 O ATOM 2128 CB MET A1019 8.058 2.712 4.037 1.00 14.24 C ATOM 2129 CG MET A1019 7.902 2.030 2.658 1.00 13.23 C ATOM 2130 SD MET A1019 7.400 0.308 2.805 1.00 15.45 S ATOM 2131 CE MET A1019 8.700 -0.319 3.855 1.00 4.01 C ATOM 0 H MET A1019 8.535 4.956 2.845 1.00 43.32 H new ATOM 0 HA MET A1019 9.460 3.735 5.296 1.00 14.13 H new ATOM 0 HB2 MET A1019 8.055 1.939 4.805 1.00 14.24 H new ATOM 0 HB3 MET A1019 7.183 3.339 4.212 1.00 14.24 H new ATOM 0 HG2 MET A1019 7.164 2.573 2.067 1.00 13.23 H new ATOM 0 HG3 MET A1019 8.847 2.087 2.118 1.00 13.23 H new ATOM 0 HE1 MET A1019 8.576 -1.394 3.985 1.00 4.01 H new ATOM 0 HE2 MET A1019 9.668 -0.118 3.395 1.00 4.01 H new ATOM 0 HE3 MET A1019 8.651 0.172 4.827 1.00 4.01 H new ATOM 2141 N ALA A1020 11.025 3.216 2.463 1.00 34.34 N ATOM 2142 CA ALA A1020 12.316 2.739 1.922 1.00 63.02 C ATOM 2143 C ALA A1020 13.478 3.522 2.557 1.00 34.34 C ATOM 2144 O ALA A1020 14.616 3.037 2.605 1.00 30.05 O ATOM 2145 CB ALA A1020 12.354 2.848 0.390 1.00 64.54 C ATOM 0 H ALA A1020 10.508 3.828 1.832 1.00 34.34 H new ATOM 0 HA ALA A1020 12.425 1.685 2.177 1.00 63.02 H new ATOM 0 HB1 ALA A1020 13.316 2.490 0.023 1.00 64.54 H new ATOM 0 HB2 ALA A1020 11.554 2.243 -0.038 1.00 64.54 H new ATOM 0 HB3 ALA A1020 12.219 3.889 0.096 1.00 64.54 H new ATOM 2151 N LEU A1021 13.178 4.756 3.012 1.00 21.34 N ATOM 2152 CA LEU A1021 14.140 5.602 3.741 1.00 40.22 C ATOM 2153 C LEU A1021 14.197 5.248 5.246 1.00 53.52 C ATOM 2154 O LEU A1021 15.077 5.755 5.952 1.00 5.33 O ATOM 2155 CB LEU A1021 13.825 7.110 3.524 1.00 54.10 C ATOM 2156 CG LEU A1021 13.956 7.638 2.055 1.00 0.33 C ATOM 2157 CD1 LEU A1021 13.687 9.157 1.978 1.00 41.21 C ATOM 2158 CD2 LEU A1021 15.324 7.273 1.445 1.00 74.44 C ATOM 0 H LEU A1021 12.264 5.191 2.884 1.00 21.34 H new ATOM 0 HA LEU A1021 15.130 5.401 3.331 1.00 40.22 H new ATOM 0 HB2 LEU A1021 12.808 7.301 3.868 1.00 54.10 H new ATOM 0 HB3 LEU A1021 14.491 7.694 4.159 1.00 54.10 H new ATOM 0 HG LEU A1021 13.192 7.141 1.458 1.00 0.33 H new ATOM 0 HD11 LEU A1021 13.786 9.492 0.946 1.00 41.21 H new ATOM 0 HD12 LEU A1021 12.678 9.366 2.332 1.00 41.21 H new ATOM 0 HD13 LEU A1021 14.407 9.686 2.602 1.00 41.21 H new ATOM 0 HD21 LEU A1021 15.381 7.654 0.426 1.00 74.44 H new ATOM 0 HD22 LEU A1021 16.119 7.717 2.044 1.00 74.44 H new ATOM 0 HD23 LEU A1021 15.440 6.189 1.434 1.00 74.44 H new ATOM 2170 N LEU A1022 13.228 4.433 5.741 1.00 40.52 N ATOM 2171 CA LEU A1022 13.368 3.728 7.049 1.00 2.42 C ATOM 2172 C LEU A1022 14.656 2.854 7.057 1.00 64.43 C ATOM 2173 O LEU A1022 14.742 1.895 6.279 1.00 74.32 O ATOM 2174 CB LEU A1022 12.139 2.812 7.349 1.00 62.01 C ATOM 2175 CG LEU A1022 10.763 3.514 7.578 1.00 24.33 C ATOM 2176 CD1 LEU A1022 9.631 2.480 7.792 1.00 15.24 C ATOM 2177 CD2 LEU A1022 10.827 4.502 8.750 1.00 1.53 C ATOM 0 H LEU A1022 12.348 4.247 5.261 1.00 40.52 H new ATOM 0 HA LEU A1022 13.428 4.496 7.821 1.00 2.42 H new ATOM 0 HB2 LEU A1022 12.028 2.114 6.519 1.00 62.01 H new ATOM 0 HB3 LEU A1022 12.368 2.220 8.235 1.00 62.01 H new ATOM 0 HG LEU A1022 10.534 4.080 6.675 1.00 24.33 H new ATOM 0 HD11 LEU A1022 8.687 3.001 7.949 1.00 15.24 H new ATOM 0 HD12 LEU A1022 9.551 1.841 6.913 1.00 15.24 H new ATOM 0 HD13 LEU A1022 9.857 1.869 8.666 1.00 15.24 H new ATOM 0 HD21 LEU A1022 9.853 4.973 8.882 1.00 1.53 H new ATOM 0 HD22 LEU A1022 11.099 3.969 9.661 1.00 1.53 H new ATOM 0 HD23 LEU A1022 11.575 5.267 8.541 1.00 1.53 H new ATOM 2189 N PRO A1023 15.691 3.188 7.898 1.00 25.13 N ATOM 2190 CA PRO A1023 16.906 2.352 8.034 1.00 72.45 C ATOM 2191 C PRO A1023 16.780 1.273 9.143 1.00 65.54 C ATOM 2192 O PRO A1023 17.662 0.425 9.291 1.00 72.12 O ATOM 2193 CB PRO A1023 17.982 3.411 8.359 1.00 14.32 C ATOM 2194 CG PRO A1023 17.262 4.454 9.179 1.00 71.33 C ATOM 2195 CD PRO A1023 15.795 4.422 8.741 1.00 71.04 C ATOM 0 HA PRO A1023 17.124 1.760 7.145 1.00 72.45 H new ATOM 0 HB2 PRO A1023 18.812 2.974 8.915 1.00 14.32 H new ATOM 0 HB3 PRO A1023 18.400 3.842 7.449 1.00 14.32 H new ATOM 0 HG2 PRO A1023 17.353 4.240 10.244 1.00 71.33 H new ATOM 0 HG3 PRO A1023 17.694 5.441 9.015 1.00 71.33 H new ATOM 0 HD2 PRO A1023 15.124 4.376 9.599 1.00 71.04 H new ATOM 0 HD3 PRO A1023 15.529 5.315 8.175 1.00 71.04 H new ATOM 2203 N ALA A1024 15.666 1.325 9.913 1.00 11.53 N ATOM 2204 CA ALA A1024 15.371 0.375 11.007 1.00 14.01 C ATOM 2205 C ALA A1024 15.031 -1.006 10.442 1.00 3.21 C ATOM 2206 O ALA A1024 15.597 -2.031 10.851 1.00 60.21 O ATOM 2207 CB ALA A1024 14.195 0.906 11.862 1.00 62.53 C ATOM 0 H ALA A1024 14.943 2.034 9.789 1.00 11.53 H new ATOM 0 HA ALA A1024 16.256 0.281 11.637 1.00 14.01 H new ATOM 0 HB1 ALA A1024 13.983 0.202 12.666 1.00 62.53 H new ATOM 0 HB2 ALA A1024 14.462 1.873 12.288 1.00 62.53 H new ATOM 0 HB3 ALA A1024 13.311 1.018 11.235 1.00 62.53 H new ATOM 2213 N VAL A1025 14.104 -0.998 9.482 1.00 22.42 N ATOM 2214 CA VAL A1025 13.532 -2.203 8.869 1.00 14.03 C ATOM 2215 C VAL A1025 13.574 -2.081 7.325 1.00 4.44 C ATOM 2216 O VAL A1025 14.005 -3.047 6.660 1.00 60.33 O ATOM 2217 CB VAL A1025 12.059 -2.480 9.382 1.00 61.45 C ATOM 2218 CG1 VAL A1025 12.067 -3.047 10.825 1.00 75.32 C ATOM 2219 CG2 VAL A1025 11.164 -1.209 9.288 1.00 64.24 C ATOM 2220 OXT VAL A1025 13.245 -0.994 6.791 1.00 37.66 O ATOM 0 H VAL A1025 13.720 -0.134 9.099 1.00 22.42 H new ATOM 0 HA VAL A1025 14.137 -3.058 9.170 1.00 14.03 H new ATOM 0 HB VAL A1025 11.625 -3.233 8.724 1.00 61.45 H new ATOM 0 HG11 VAL A1025 11.043 -3.227 11.151 1.00 75.32 H new ATOM 0 HG12 VAL A1025 12.624 -3.984 10.845 1.00 75.32 H new ATOM 0 HG13 VAL A1025 12.540 -2.329 11.495 1.00 75.32 H new ATOM 0 HG21 VAL A1025 10.162 -1.442 9.649 1.00 64.24 H new ATOM 0 HG22 VAL A1025 11.594 -0.415 9.898 1.00 64.24 H new ATOM 0 HG23 VAL A1025 11.108 -0.879 8.251 1.00 64.24 H new TER 2230 VAL A1025