USER MOD reduce.3.24.130724 H: found=0, std=0, add=868, rem=0, adj=28 USER MOD reduce.3.24.130724 removed 869 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 95 GLN : amide:sc= -1.8 K(o=-1.3,f=-2.9!) USER MOD Set 1.2: A 97 THR OG1 : rot 110:sc= 0.48 USER MOD Set 2.1: A 57 THR OG1 : rot 129:sc= 0.847 USER MOD Set 2.2: A 59 SER OG : rot 180:sc= 0.73 USER MOD Set 3.1: A 19 GLN :FLIP amide:sc= -0.426 F(o=-1.9,f=-0.91) USER MOD Set 3.2: A 70 GLN : amide:sc= -0.483 K(o=-0.91,f=-1.9!) USER MOD Set 4.1: A 18 SER OG : rot -80:sc= 2.05 USER MOD Set 4.2: A 40 TYR OH : rot 159:sc= 0.363 USER MOD Set 4.3: A 71 THR OG1 : rot 77:sc= 0.147 USER MOD Set 4.4: A 74 ASN : amide:sc= 0.218 K(o=2.8,f=0.4!) USER MOD Set 5.1: A 9 ASN : amide:sc= 0.186 X(o=0.19,f=-0.18) USER MOD Set 5.2: A 12 GLN : amide:sc= 0.00221 K(o=0.19,f=-2.5!) USER MOD Single : A 1 MET CE :methyl 162:sc= 0 (180deg=-0.533) USER MOD Single : A 1 MET N :NH3+ 179:sc= -0.0356 (180deg=-0.0403) USER MOD Single : A 2 THR OG1 : rot 180:sc= 0 USER MOD Single : A 3 SER OG : rot 180:sc= 0 USER MOD Single : A 4 THR OG1 : rot -149:sc= 0.617 USER MOD Single : A 20 SER OG : rot 72:sc= 1.01 USER MOD Single : A 26 GLN : amide:sc= 0 K(o=0,f=-0.52) USER MOD Single : A 35 GLN : amide:sc= -0.348 K(o=-0.35,f=-4.6!) USER MOD Single : A 36 GLN : amide:sc= -0.0176 X(o=-0.018,f=-0.2) USER MOD Single : A 39 SER OG : rot 180:sc= 0 USER MOD Single : A 42 GLN : amide:sc= 0 X(o=0,f=-0.33) USER MOD Single : A 43 SER OG : rot 76:sc= 1.19 USER MOD Single : A 46 THR OG1 : rot 75:sc= 1.11 USER MOD Single : A 48 MET CE :methyl -158:sc= -0.928 (180deg=-2) USER MOD Single : A 50 LYS NZ :NH3+ -153:sc= 0 (180deg=-0.0748) USER MOD Single : A 51 GLN : amide:sc= -0.313 X(o=-0.31,f=0) USER MOD Single : A 52 THR OG1 : rot -57:sc= -2.02! USER MOD Single : A 61 GLN : amide:sc= 0.955 K(o=0.96,f=-3!) USER MOD Single : A 63 MET CE :methyl -176:sc= -0.657 (180deg=-0.667) USER MOD Single : A 67 TYR OH : rot 180:sc= 0 USER MOD Single : A 69 LYS NZ :NH3+ -153:sc= 0.501 (180deg=0.0408) USER MOD Single : A 76 GLN : amide:sc= -0.454 X(o=-0.45,f=0) USER MOD Single : A 79 LYS NZ :NH3+ -114:sc= 0.0363 (180deg=-0.352) USER MOD Single : A 96 SER OG : rot 180:sc= 0 USER MOD Single : A 99 GLN : amide:sc= 0.348 K(o=0.35,f=-0.3) USER MOD Single : A 100 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 101 SER OG : rot 81:sc= 0.985 USER MOD Single : A 103 ASN : amide:sc=-0.00224 X(o=-0.0022,f=0) USER MOD Single : A 104 ASN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 106 TYR OH : rot 180:sc= 0 USER MOD Single : A 110 SER OG : rot 180:sc= 0 USER MOD Single : A 112 MET CE :methyl -167:sc= -0.081 (180deg=-0.307) USER MOD ----------------------------------------------------------------- ATOM 1 N MET A 1 1.581 1.939 21.368 1.00 4.41 N ATOM 2 CA MET A 1 1.635 1.346 20.017 1.00 20.03 C ATOM 3 C MET A 1 0.805 2.188 19.010 1.00 15.53 C ATOM 4 O MET A 1 0.646 1.776 17.864 1.00 60.33 O ATOM 5 CB MET A 1 1.140 -0.141 20.080 1.00 61.41 C ATOM 6 CG MET A 1 1.374 -0.993 18.811 1.00 54.42 C ATOM 7 SD MET A 1 0.721 -2.678 18.952 1.00 4.32 S ATOM 8 CE MET A 1 0.928 -3.288 17.271 1.00 43.43 C ATOM 0 H1 MET A 1 2.129 1.350 22.028 1.00 4.41 H new ATOM 0 H2 MET A 1 1.984 2.897 21.343 1.00 4.41 H new ATOM 0 H3 MET A 1 0.592 1.988 21.687 1.00 4.41 H new ATOM 0 HA MET A 1 2.665 1.351 19.661 1.00 20.03 H new ATOM 0 HB2 MET A 1 1.635 -0.632 20.918 1.00 61.41 H new ATOM 0 HB3 MET A 1 0.072 -0.138 20.298 1.00 61.41 H new ATOM 0 HG2 MET A 1 0.907 -0.499 17.959 1.00 54.42 H new ATOM 0 HG3 MET A 1 2.443 -1.041 18.605 1.00 54.42 H new ATOM 0 HE1 MET A 1 0.877 -4.377 17.270 1.00 43.43 H new ATOM 0 HE2 MET A 1 0.136 -2.887 16.638 1.00 43.43 H new ATOM 0 HE3 MET A 1 1.896 -2.970 16.885 1.00 43.43 H new ATOM 20 N THR A 2 0.325 3.397 19.424 1.00 1.50 N ATOM 21 CA THR A 2 -0.619 4.206 18.608 1.00 52.23 C ATOM 22 C THR A 2 -0.075 4.511 17.194 1.00 53.22 C ATOM 23 O THR A 2 -0.765 4.253 16.212 1.00 61.41 O ATOM 24 CB THR A 2 -1.026 5.545 19.321 1.00 54.41 C ATOM 25 OG1 THR A 2 0.142 6.272 19.715 1.00 53.44 O ATOM 26 CG2 THR A 2 -1.912 5.299 20.556 1.00 72.14 C ATOM 0 H THR A 2 0.577 3.827 20.314 1.00 1.50 H new ATOM 0 HA THR A 2 -1.510 3.587 18.501 1.00 52.23 H new ATOM 0 HB THR A 2 -1.603 6.127 18.602 1.00 54.41 H new ATOM 0 HG1 THR A 2 -0.125 7.105 20.157 1.00 53.44 H new ATOM 0 HG21 THR A 2 -2.168 6.253 21.016 1.00 72.14 H new ATOM 0 HG22 THR A 2 -2.825 4.786 20.253 1.00 72.14 H new ATOM 0 HG23 THR A 2 -1.371 4.683 21.275 1.00 72.14 H new ATOM 34 N SER A 3 1.182 4.996 17.095 1.00 70.42 N ATOM 35 CA SER A 3 1.797 5.353 15.794 1.00 14.02 C ATOM 36 C SER A 3 2.062 4.105 14.924 1.00 2.42 C ATOM 37 O SER A 3 2.087 4.201 13.695 1.00 73.42 O ATOM 38 CB SER A 3 3.097 6.159 16.007 1.00 12.10 C ATOM 39 OG SER A 3 2.831 7.361 16.710 1.00 54.13 O ATOM 0 H SER A 3 1.791 5.150 17.898 1.00 70.42 H new ATOM 0 HA SER A 3 1.085 5.980 15.257 1.00 14.02 H new ATOM 0 HB2 SER A 3 3.817 5.558 16.563 1.00 12.10 H new ATOM 0 HB3 SER A 3 3.551 6.388 15.043 1.00 12.10 H new ATOM 0 HG SER A 3 3.666 7.857 16.837 1.00 54.13 H new ATOM 45 N THR A 4 2.250 2.943 15.583 1.00 65.30 N ATOM 46 CA THR A 4 2.457 1.657 14.903 1.00 3.43 C ATOM 47 C THR A 4 1.136 1.129 14.323 1.00 24.44 C ATOM 48 O THR A 4 1.102 0.654 13.196 1.00 13.30 O ATOM 49 CB THR A 4 3.103 0.607 15.863 1.00 35.42 C ATOM 50 OG1 THR A 4 4.284 1.170 16.458 1.00 73.42 O ATOM 51 CG2 THR A 4 3.475 -0.694 15.125 1.00 35.02 C ATOM 0 H THR A 4 2.262 2.875 16.601 1.00 65.30 H new ATOM 0 HA THR A 4 3.150 1.823 14.078 1.00 3.43 H new ATOM 0 HB THR A 4 2.369 0.359 16.630 1.00 35.42 H new ATOM 0 HG1 THR A 4 4.933 0.457 16.634 1.00 73.42 H new ATOM 0 HG21 THR A 4 3.921 -1.397 15.829 1.00 35.02 H new ATOM 0 HG22 THR A 4 2.578 -1.135 14.691 1.00 35.02 H new ATOM 0 HG23 THR A 4 4.190 -0.471 14.333 1.00 35.02 H new ATOM 59 N VAL A 5 0.044 1.270 15.099 1.00 53.10 N ATOM 60 CA VAL A 5 -1.311 0.870 14.674 1.00 43.42 C ATOM 61 C VAL A 5 -1.790 1.802 13.542 1.00 52.41 C ATOM 62 O VAL A 5 -2.438 1.349 12.601 1.00 23.40 O ATOM 63 CB VAL A 5 -2.322 0.881 15.886 1.00 24.34 C ATOM 64 CG1 VAL A 5 -3.766 0.530 15.448 1.00 65.11 C ATOM 65 CG2 VAL A 5 -1.850 -0.074 17.010 1.00 44.11 C ATOM 0 H VAL A 5 0.077 1.665 16.039 1.00 53.10 H new ATOM 0 HA VAL A 5 -1.273 -0.153 14.300 1.00 43.42 H new ATOM 0 HB VAL A 5 -2.338 1.899 16.275 1.00 24.34 H new ATOM 0 HG11 VAL A 5 -4.425 0.550 16.316 1.00 65.11 H new ATOM 0 HG12 VAL A 5 -4.111 1.258 14.714 1.00 65.11 H new ATOM 0 HG13 VAL A 5 -3.780 -0.466 15.005 1.00 65.11 H new ATOM 0 HG21 VAL A 5 -2.564 -0.048 17.833 1.00 44.11 H new ATOM 0 HG22 VAL A 5 -1.783 -1.090 16.620 1.00 44.11 H new ATOM 0 HG23 VAL A 5 -0.871 0.242 17.369 1.00 44.11 H new ATOM 75 N GLU A 6 -1.415 3.099 13.637 1.00 74.34 N ATOM 76 CA GLU A 6 -1.656 4.103 12.580 1.00 55.21 C ATOM 77 C GLU A 6 -0.916 3.718 11.292 1.00 40.33 C ATOM 78 O GLU A 6 -1.495 3.756 10.210 1.00 3.20 O ATOM 79 CB GLU A 6 -1.186 5.514 13.044 1.00 31.12 C ATOM 80 CG GLU A 6 -2.116 6.204 14.057 1.00 30.43 C ATOM 81 CD GLU A 6 -3.472 6.595 13.447 1.00 2.01 C ATOM 82 OE1 GLU A 6 -3.503 7.542 12.624 1.00 62.22 O ATOM 83 OE2 GLU A 6 -4.506 5.972 13.787 1.00 11.12 O ATOM 0 H GLU A 6 -0.935 3.478 14.453 1.00 74.34 H new ATOM 0 HA GLU A 6 -2.728 4.131 12.383 1.00 55.21 H new ATOM 0 HB2 GLU A 6 -0.194 5.424 13.486 1.00 31.12 H new ATOM 0 HB3 GLU A 6 -1.087 6.155 12.168 1.00 31.12 H new ATOM 0 HG2 GLU A 6 -2.282 5.538 14.904 1.00 30.43 H new ATOM 0 HG3 GLU A 6 -1.626 7.097 14.445 1.00 30.43 H new ATOM 90 N PHE A 7 0.368 3.342 11.446 1.00 14.23 N ATOM 91 CA PHE A 7 1.267 3.021 10.321 1.00 55.51 C ATOM 92 C PHE A 7 0.771 1.766 9.570 1.00 51.20 C ATOM 93 O PHE A 7 0.651 1.785 8.345 1.00 40.50 O ATOM 94 CB PHE A 7 2.717 2.824 10.850 1.00 14.40 C ATOM 95 CG PHE A 7 3.807 2.840 9.779 1.00 74.32 C ATOM 96 CD1 PHE A 7 4.101 4.023 9.093 1.00 5.42 C ATOM 97 CD2 PHE A 7 4.556 1.699 9.476 1.00 65.41 C ATOM 98 CE1 PHE A 7 5.103 4.065 8.141 1.00 32.23 C ATOM 99 CE2 PHE A 7 5.555 1.746 8.522 1.00 54.34 C ATOM 100 CZ PHE A 7 5.827 2.929 7.857 1.00 31.45 C ATOM 0 H PHE A 7 0.813 3.252 12.359 1.00 14.23 H new ATOM 0 HA PHE A 7 1.265 3.850 9.613 1.00 55.51 H new ATOM 0 HB2 PHE A 7 2.932 3.608 11.576 1.00 14.40 H new ATOM 0 HB3 PHE A 7 2.767 1.874 11.382 1.00 14.40 H new ATOM 0 HD1 PHE A 7 3.537 4.918 9.310 1.00 5.42 H new ATOM 0 HD2 PHE A 7 4.352 0.772 9.992 1.00 65.41 H new ATOM 0 HE1 PHE A 7 5.317 4.987 7.621 1.00 32.23 H new ATOM 0 HE2 PHE A 7 6.125 0.857 8.295 1.00 54.34 H new ATOM 0 HZ PHE A 7 6.609 2.961 7.113 1.00 31.45 H new ATOM 110 N ILE A 8 0.447 0.703 10.341 1.00 70.43 N ATOM 111 CA ILE A 8 -0.073 -0.569 9.802 1.00 54.12 C ATOM 112 C ILE A 8 -1.461 -0.357 9.167 1.00 62.31 C ATOM 113 O ILE A 8 -1.747 -0.954 8.143 1.00 25.54 O ATOM 114 CB ILE A 8 -0.159 -1.707 10.905 1.00 12.25 C ATOM 115 CG1 ILE A 8 1.244 -1.982 11.538 1.00 32.11 C ATOM 116 CG2 ILE A 8 -0.756 -3.023 10.322 1.00 30.33 C ATOM 117 CD1 ILE A 8 1.235 -2.963 12.704 1.00 13.22 C ATOM 0 H ILE A 8 0.540 0.706 11.357 1.00 70.43 H new ATOM 0 HA ILE A 8 0.634 -0.900 9.042 1.00 54.12 H new ATOM 0 HB ILE A 8 -0.828 -1.350 11.687 1.00 12.25 H new ATOM 0 HG12 ILE A 8 1.908 -2.365 10.763 1.00 32.11 H new ATOM 0 HG13 ILE A 8 1.665 -1.036 11.880 1.00 32.11 H new ATOM 0 HG21 ILE A 8 -0.800 -3.780 11.105 1.00 30.33 H new ATOM 0 HG22 ILE A 8 -1.761 -2.831 9.945 1.00 30.33 H new ATOM 0 HG23 ILE A 8 -0.125 -3.379 9.508 1.00 30.33 H new ATOM 0 HD11 ILE A 8 2.250 -3.092 13.079 1.00 13.22 H new ATOM 0 HD12 ILE A 8 0.601 -2.575 13.501 1.00 13.22 H new ATOM 0 HD13 ILE A 8 0.848 -3.925 12.367 1.00 13.22 H new ATOM 129 N ASN A 9 -2.298 0.522 9.775 1.00 73.25 N ATOM 130 CA ASN A 9 -3.669 0.820 9.277 1.00 65.31 C ATOM 131 C ASN A 9 -3.623 1.683 8.002 1.00 54.13 C ATOM 132 O ASN A 9 -4.536 1.627 7.172 1.00 3.40 O ATOM 133 CB ASN A 9 -4.530 1.505 10.364 1.00 35.03 C ATOM 134 CG ASN A 9 -5.988 1.736 9.940 1.00 54.02 C ATOM 135 OD1 ASN A 9 -6.354 2.816 9.466 1.00 44.22 O ATOM 136 ND2 ASN A 9 -6.819 0.713 10.053 1.00 33.45 N ATOM 0 H ASN A 9 -2.046 1.041 10.617 1.00 73.25 H new ATOM 0 HA ASN A 9 -4.137 -0.133 9.028 1.00 65.31 H new ATOM 0 HB2 ASN A 9 -4.516 0.893 11.266 1.00 35.03 H new ATOM 0 HB3 ASN A 9 -4.079 2.463 10.622 1.00 35.03 H new ATOM 0 HD21 ASN A 9 -7.787 0.806 9.745 1.00 33.45 H new ATOM 0 HD22 ASN A 9 -6.492 -0.169 10.448 1.00 33.45 H new ATOM 143 N ARG A 10 -2.558 2.479 7.868 1.00 15.41 N ATOM 144 CA ARG A 10 -2.284 3.253 6.649 1.00 62.13 C ATOM 145 C ARG A 10 -1.830 2.306 5.522 1.00 30.33 C ATOM 146 O ARG A 10 -2.205 2.484 4.358 1.00 35.15 O ATOM 147 CB ARG A 10 -1.238 4.371 6.939 1.00 1.03 C ATOM 148 CG ARG A 10 -1.833 5.632 7.611 1.00 54.10 C ATOM 149 CD ARG A 10 -0.793 6.750 7.825 1.00 62.00 C ATOM 150 NE ARG A 10 -1.423 7.996 8.320 1.00 65.42 N ATOM 151 CZ ARG A 10 -1.316 8.486 9.569 1.00 61.23 C ATOM 152 NH1 ARG A 10 -0.605 7.855 10.495 1.00 71.44 N ATOM 153 NH2 ARG A 10 -1.918 9.624 9.882 1.00 44.03 N ATOM 0 H ARG A 10 -1.860 2.606 8.601 1.00 15.41 H new ATOM 0 HA ARG A 10 -3.196 3.749 6.317 1.00 62.13 H new ATOM 0 HB2 ARG A 10 -0.456 3.965 7.581 1.00 1.03 H new ATOM 0 HB3 ARG A 10 -0.763 4.661 6.002 1.00 1.03 H new ATOM 0 HG2 ARG A 10 -2.648 6.014 6.996 1.00 54.10 H new ATOM 0 HG3 ARG A 10 -2.263 5.355 8.573 1.00 54.10 H new ATOM 0 HD2 ARG A 10 -0.040 6.415 8.538 1.00 62.00 H new ATOM 0 HD3 ARG A 10 -0.276 6.951 6.886 1.00 62.00 H new ATOM 0 HE ARG A 10 -1.986 8.529 7.657 1.00 65.42 H new ATOM 0 HH11 ARG A 10 -0.128 6.983 10.265 1.00 71.44 H new ATOM 0 HH12 ARG A 10 -0.536 8.242 11.436 1.00 71.44 H new ATOM 0 HH21 ARG A 10 -2.460 10.125 9.178 1.00 44.03 H new ATOM 0 HH22 ARG A 10 -1.840 9.999 10.827 1.00 44.03 H new ATOM 167 N TRP A 11 -1.044 1.276 5.895 1.00 40.31 N ATOM 168 CA TRP A 11 -0.666 0.187 4.974 1.00 23.03 C ATOM 169 C TRP A 11 -1.829 -0.801 4.758 1.00 14.20 C ATOM 170 O TRP A 11 -1.829 -1.514 3.760 1.00 70.13 O ATOM 171 CB TRP A 11 0.614 -0.551 5.450 1.00 62.50 C ATOM 172 CG TRP A 11 1.874 0.262 5.243 1.00 4.12 C ATOM 173 CD1 TRP A 11 2.663 0.828 6.201 1.00 51.43 C ATOM 174 CD2 TRP A 11 2.466 0.620 3.979 1.00 41.25 C ATOM 175 NE1 TRP A 11 3.708 1.494 5.616 1.00 10.22 N ATOM 176 CE2 TRP A 11 3.613 1.383 4.260 1.00 13.43 C ATOM 177 CE3 TRP A 11 2.145 0.360 2.638 1.00 50.43 C ATOM 178 CZ2 TRP A 11 4.436 1.895 3.260 1.00 14.11 C ATOM 179 CZ3 TRP A 11 2.962 0.869 1.643 1.00 0.44 C ATOM 180 CH2 TRP A 11 4.098 1.628 1.960 1.00 10.43 C ATOM 0 H TRP A 11 -0.657 1.176 6.834 1.00 40.31 H new ATOM 0 HA TRP A 11 -0.440 0.647 4.012 1.00 23.03 H new ATOM 0 HB2 TRP A 11 0.515 -0.795 6.508 1.00 62.50 H new ATOM 0 HB3 TRP A 11 0.704 -1.495 4.912 1.00 62.50 H new ATOM 0 HD1 TRP A 11 2.489 0.761 7.265 1.00 51.43 H new ATOM 0 HE1 TRP A 11 4.442 1.995 6.117 1.00 10.22 H new ATOM 0 HE3 TRP A 11 1.275 -0.228 2.386 1.00 50.43 H new ATOM 0 HZ2 TRP A 11 5.310 2.482 3.501 1.00 14.11 H new ATOM 0 HZ3 TRP A 11 2.721 0.679 0.608 1.00 0.44 H new ATOM 0 HH2 TRP A 11 4.719 2.010 1.163 1.00 10.43 H new ATOM 191 N GLN A 12 -2.815 -0.836 5.692 1.00 63.32 N ATOM 192 CA GLN A 12 -4.084 -1.558 5.473 1.00 55.23 C ATOM 193 C GLN A 12 -4.850 -0.820 4.385 1.00 24.14 C ATOM 194 O GLN A 12 -5.310 -1.429 3.444 1.00 65.12 O ATOM 195 CB GLN A 12 -4.984 -1.661 6.752 1.00 2.42 C ATOM 196 CG GLN A 12 -4.474 -2.602 7.850 1.00 41.42 C ATOM 197 CD GLN A 12 -5.446 -2.741 9.029 1.00 13.54 C ATOM 198 OE1 GLN A 12 -5.395 -1.977 9.994 1.00 24.40 O ATOM 199 NE2 GLN A 12 -6.346 -3.712 8.960 1.00 3.42 N ATOM 0 H GLN A 12 -2.751 -0.373 6.598 1.00 63.32 H new ATOM 0 HA GLN A 12 -3.838 -2.582 5.192 1.00 55.23 H new ATOM 0 HB2 GLN A 12 -5.095 -0.663 7.177 1.00 2.42 H new ATOM 0 HB3 GLN A 12 -5.978 -1.991 6.449 1.00 2.42 H new ATOM 0 HG2 GLN A 12 -4.292 -3.587 7.420 1.00 41.42 H new ATOM 0 HG3 GLN A 12 -3.517 -2.234 8.219 1.00 41.42 H new ATOM 0 HE21 GLN A 12 -6.367 -4.331 8.150 1.00 3.42 H new ATOM 0 HE22 GLN A 12 -7.017 -3.840 9.717 1.00 3.42 H new ATOM 208 N ARG A 13 -4.914 0.514 4.514 1.00 52.35 N ATOM 209 CA ARG A 13 -5.653 1.375 3.586 1.00 53.21 C ATOM 210 C ARG A 13 -5.119 1.218 2.142 1.00 24.42 C ATOM 211 O ARG A 13 -5.908 1.032 1.214 1.00 23.22 O ATOM 212 CB ARG A 13 -5.576 2.852 4.050 1.00 60.52 C ATOM 213 CG ARG A 13 -6.467 3.820 3.236 1.00 41.22 C ATOM 214 CD ARG A 13 -7.970 3.485 3.359 1.00 0.45 C ATOM 215 NE ARG A 13 -8.805 4.384 2.552 1.00 74.41 N ATOM 216 CZ ARG A 13 -9.231 5.591 2.928 1.00 72.53 C ATOM 217 NH1 ARG A 13 -8.945 6.088 4.121 1.00 60.12 N ATOM 218 NH2 ARG A 13 -9.927 6.313 2.080 1.00 42.30 N ATOM 0 H ARG A 13 -4.453 1.024 5.267 1.00 52.35 H new ATOM 0 HA ARG A 13 -6.699 1.068 3.587 1.00 53.21 H new ATOM 0 HB2 ARG A 13 -5.864 2.907 5.100 1.00 60.52 H new ATOM 0 HB3 ARG A 13 -4.541 3.188 3.986 1.00 60.52 H new ATOM 0 HG2 ARG A 13 -6.296 4.841 3.578 1.00 41.22 H new ATOM 0 HG3 ARG A 13 -6.174 3.783 2.187 1.00 41.22 H new ATOM 0 HD2 ARG A 13 -8.138 2.455 3.044 1.00 0.45 H new ATOM 0 HD3 ARG A 13 -8.271 3.552 4.404 1.00 0.45 H new ATOM 0 HE ARG A 13 -9.083 4.058 1.626 1.00 74.41 H new ATOM 0 HH11 ARG A 13 -8.386 5.545 4.779 1.00 60.12 H new ATOM 0 HH12 ARG A 13 -9.284 7.014 4.382 1.00 60.12 H new ATOM 0 HH21 ARG A 13 -10.134 5.949 1.150 1.00 42.30 H new ATOM 0 HH22 ARG A 13 -10.260 7.238 2.351 1.00 42.30 H new ATOM 232 N ILE A 14 -3.778 1.250 1.978 1.00 72.44 N ATOM 233 CA ILE A 14 -3.135 1.064 0.657 1.00 15.12 C ATOM 234 C ILE A 14 -3.368 -0.380 0.134 1.00 60.52 C ATOM 235 O ILE A 14 -3.888 -0.555 -0.970 1.00 15.20 O ATOM 236 CB ILE A 14 -1.589 1.373 0.692 1.00 4.25 C ATOM 237 CG1 ILE A 14 -1.317 2.813 1.224 1.00 54.41 C ATOM 238 CG2 ILE A 14 -0.949 1.193 -0.709 1.00 2.24 C ATOM 239 CD1 ILE A 14 0.156 3.180 1.309 1.00 1.14 C ATOM 0 H ILE A 14 -3.120 1.403 2.742 1.00 72.44 H new ATOM 0 HA ILE A 14 -3.601 1.779 -0.022 1.00 15.12 H new ATOM 0 HB ILE A 14 -1.130 0.658 1.375 1.00 4.25 H new ATOM 0 HG12 ILE A 14 -1.821 3.529 0.575 1.00 54.41 H new ATOM 0 HG13 ILE A 14 -1.762 2.912 2.214 1.00 54.41 H new ATOM 0 HG21 ILE A 14 0.117 1.413 -0.653 1.00 2.24 H new ATOM 0 HG22 ILE A 14 -1.090 0.166 -1.044 1.00 2.24 H new ATOM 0 HG23 ILE A 14 -1.423 1.874 -1.416 1.00 2.24 H new ATOM 0 HD11 ILE A 14 0.256 4.197 1.688 1.00 1.14 H new ATOM 0 HD12 ILE A 14 0.665 2.490 1.982 1.00 1.14 H new ATOM 0 HD13 ILE A 14 0.605 3.116 0.318 1.00 1.14 H new ATOM 251 N ALA A 15 -3.025 -1.392 0.979 1.00 34.12 N ATOM 252 CA ALA A 15 -3.118 -2.834 0.625 1.00 12.40 C ATOM 253 C ALA A 15 -4.544 -3.226 0.192 1.00 5.13 C ATOM 254 O ALA A 15 -4.734 -3.874 -0.836 1.00 24.53 O ATOM 255 CB ALA A 15 -2.667 -3.716 1.814 1.00 31.45 C ATOM 0 H ALA A 15 -2.677 -1.229 1.924 1.00 34.12 H new ATOM 0 HA ALA A 15 -2.452 -3.003 -0.221 1.00 12.40 H new ATOM 0 HB1 ALA A 15 -2.742 -4.767 1.536 1.00 31.45 H new ATOM 0 HB2 ALA A 15 -1.634 -3.481 2.070 1.00 31.45 H new ATOM 0 HB3 ALA A 15 -3.307 -3.522 2.675 1.00 31.45 H new ATOM 261 N LEU A 16 -5.521 -2.751 0.973 1.00 13.53 N ATOM 262 CA LEU A 16 -6.945 -3.140 0.849 1.00 30.42 C ATOM 263 C LEU A 16 -7.625 -2.408 -0.312 1.00 12.21 C ATOM 264 O LEU A 16 -8.432 -3.019 -1.020 1.00 4.01 O ATOM 265 CB LEU A 16 -7.728 -2.879 2.169 1.00 72.45 C ATOM 266 CG LEU A 16 -7.306 -3.736 3.407 1.00 53.12 C ATOM 267 CD1 LEU A 16 -8.033 -3.267 4.687 1.00 43.33 C ATOM 268 CD2 LEU A 16 -7.521 -5.241 3.146 1.00 22.32 C ATOM 0 H LEU A 16 -5.351 -2.077 1.720 1.00 13.53 H new ATOM 0 HA LEU A 16 -6.962 -4.210 0.644 1.00 30.42 H new ATOM 0 HB2 LEU A 16 -7.619 -1.826 2.429 1.00 72.45 H new ATOM 0 HB3 LEU A 16 -8.787 -3.052 1.978 1.00 72.45 H new ATOM 0 HG LEU A 16 -6.238 -3.585 3.568 1.00 53.12 H new ATOM 0 HD11 LEU A 16 -7.719 -3.882 5.530 1.00 43.33 H new ATOM 0 HD12 LEU A 16 -7.784 -2.225 4.886 1.00 43.33 H new ATOM 0 HD13 LEU A 16 -9.110 -3.363 4.550 1.00 43.33 H new ATOM 0 HD21 LEU A 16 -7.218 -5.810 4.025 1.00 22.32 H new ATOM 0 HD22 LEU A 16 -8.575 -5.427 2.938 1.00 22.32 H new ATOM 0 HD23 LEU A 16 -6.922 -5.551 2.290 1.00 22.32 H new ATOM 280 N LEU A 17 -7.319 -1.095 -0.492 1.00 72.34 N ATOM 281 CA LEU A 17 -7.881 -0.315 -1.616 1.00 3.53 C ATOM 282 C LEU A 17 -7.393 -0.876 -2.954 1.00 10.33 C ATOM 283 O LEU A 17 -8.213 -1.179 -3.807 1.00 61.14 O ATOM 284 CB LEU A 17 -7.568 1.205 -1.518 1.00 32.12 C ATOM 285 CG LEU A 17 -8.416 2.019 -0.495 1.00 74.10 C ATOM 286 CD1 LEU A 17 -8.018 3.507 -0.519 1.00 12.22 C ATOM 287 CD2 LEU A 17 -9.930 1.835 -0.757 1.00 14.42 C ATOM 0 H LEU A 17 -6.696 -0.566 0.119 1.00 72.34 H new ATOM 0 HA LEU A 17 -8.965 -0.416 -1.554 1.00 3.53 H new ATOM 0 HB2 LEU A 17 -6.515 1.322 -1.260 1.00 32.12 H new ATOM 0 HB3 LEU A 17 -7.705 1.647 -2.505 1.00 32.12 H new ATOM 0 HG LEU A 17 -8.207 1.634 0.503 1.00 74.10 H new ATOM 0 HD11 LEU A 17 -8.622 4.057 0.203 1.00 12.22 H new ATOM 0 HD12 LEU A 17 -6.964 3.606 -0.260 1.00 12.22 H new ATOM 0 HD13 LEU A 17 -8.186 3.913 -1.517 1.00 12.22 H new ATOM 0 HD21 LEU A 17 -10.498 2.414 -0.029 1.00 14.42 H new ATOM 0 HD22 LEU A 17 -10.170 2.181 -1.762 1.00 14.42 H new ATOM 0 HD23 LEU A 17 -10.190 0.780 -0.664 1.00 14.42 H new ATOM 299 N SER A 18 -6.064 -1.051 -3.096 1.00 63.43 N ATOM 300 CA SER A 18 -5.448 -1.582 -4.330 1.00 12.24 C ATOM 301 C SER A 18 -5.930 -3.023 -4.618 1.00 64.33 C ATOM 302 O SER A 18 -6.123 -3.396 -5.781 1.00 75.04 O ATOM 303 CB SER A 18 -3.915 -1.547 -4.211 1.00 24.52 C ATOM 304 OG SER A 18 -3.479 -2.336 -3.119 1.00 43.21 O ATOM 0 H SER A 18 -5.390 -0.830 -2.363 1.00 63.43 H new ATOM 0 HA SER A 18 -5.756 -0.951 -5.164 1.00 12.24 H new ATOM 0 HB2 SER A 18 -3.465 -1.914 -5.134 1.00 24.52 H new ATOM 0 HB3 SER A 18 -3.579 -0.518 -4.080 1.00 24.52 H new ATOM 0 HG SER A 18 -3.584 -1.829 -2.287 1.00 43.21 H new ATOM 310 N GLN A 19 -6.120 -3.818 -3.533 1.00 44.33 N ATOM 311 CA GLN A 19 -6.675 -5.181 -3.616 1.00 65.52 C ATOM 312 C GLN A 19 -8.105 -5.141 -4.174 1.00 32.15 C ATOM 313 O GLN A 19 -8.451 -5.924 -5.061 1.00 72.42 O ATOM 314 CB GLN A 19 -6.666 -5.874 -2.225 1.00 52.34 C ATOM 315 CG GLN A 19 -7.014 -7.373 -2.252 1.00 4.42 C ATOM 316 CD GLN A 19 -6.028 -8.189 -3.091 1.00 51.44 C ATOM 317 OE1 GLN A 19 -4.928 -8.591 -2.484 1.00 21.21 O flip ATOM 318 NE2 GLN A 19 -6.232 -8.415 -4.284 1.00 53.34 N flip ATOM 0 H GLN A 19 -5.891 -3.527 -2.582 1.00 44.33 H new ATOM 0 HA GLN A 19 -6.045 -5.760 -4.291 1.00 65.52 H new ATOM 0 HB2 GLN A 19 -5.679 -5.752 -1.780 1.00 52.34 H new ATOM 0 HB3 GLN A 19 -7.375 -5.362 -1.574 1.00 52.34 H new ATOM 0 HG2 GLN A 19 -7.024 -7.759 -1.233 1.00 4.42 H new ATOM 0 HG3 GLN A 19 -8.020 -7.502 -2.652 1.00 4.42 H new ATOM 0 HE21 GLN A 19 -7.093 -8.091 -4.725 1.00 53.34 H new ATOM 0 HE22 GLN A 19 -5.540 -8.926 -4.832 1.00 53.34 H new ATOM 327 N SER A 20 -8.906 -4.183 -3.660 1.00 13.34 N ATOM 328 CA SER A 20 -10.280 -3.959 -4.123 1.00 63.43 C ATOM 329 C SER A 20 -10.267 -3.561 -5.597 1.00 22.51 C ATOM 330 O SER A 20 -11.028 -4.105 -6.371 1.00 0.53 O ATOM 331 CB SER A 20 -10.995 -2.876 -3.285 1.00 23.14 C ATOM 332 OG SER A 20 -11.087 -3.259 -1.924 1.00 40.34 O ATOM 0 H SER A 20 -8.614 -3.549 -2.916 1.00 13.34 H new ATOM 0 HA SER A 20 -10.834 -4.889 -4.000 1.00 63.43 H new ATOM 0 HB2 SER A 20 -10.453 -1.934 -3.365 1.00 23.14 H new ATOM 0 HB3 SER A 20 -11.994 -2.703 -3.685 1.00 23.14 H new ATOM 0 HG SER A 20 -10.200 -3.211 -1.510 1.00 40.34 H new ATOM 338 N LEU A 21 -9.336 -2.658 -5.974 1.00 65.31 N ATOM 339 CA LEU A 21 -9.222 -2.142 -7.346 1.00 64.41 C ATOM 340 C LEU A 21 -8.850 -3.276 -8.321 1.00 22.52 C ATOM 341 O LEU A 21 -9.257 -3.247 -9.477 1.00 65.23 O ATOM 342 CB LEU A 21 -8.176 -0.987 -7.445 1.00 75.24 C ATOM 343 CG LEU A 21 -8.411 0.271 -6.548 1.00 64.04 C ATOM 344 CD1 LEU A 21 -7.394 1.391 -6.865 1.00 73.33 C ATOM 345 CD2 LEU A 21 -9.864 0.773 -6.636 1.00 32.44 C ATOM 0 H LEU A 21 -8.645 -2.269 -5.332 1.00 65.31 H new ATOM 0 HA LEU A 21 -10.195 -1.737 -7.623 1.00 64.41 H new ATOM 0 HB2 LEU A 21 -7.196 -1.397 -7.201 1.00 75.24 H new ATOM 0 HB3 LEU A 21 -8.134 -0.658 -8.483 1.00 75.24 H new ATOM 0 HG LEU A 21 -8.244 -0.033 -5.515 1.00 64.04 H new ATOM 0 HD11 LEU A 21 -7.587 2.250 -6.223 1.00 73.33 H new ATOM 0 HD12 LEU A 21 -6.383 1.025 -6.687 1.00 73.33 H new ATOM 0 HD13 LEU A 21 -7.494 1.689 -7.909 1.00 73.33 H new ATOM 0 HD21 LEU A 21 -9.986 1.648 -5.998 1.00 32.44 H new ATOM 0 HD22 LEU A 21 -10.095 1.041 -7.667 1.00 32.44 H new ATOM 0 HD23 LEU A 21 -10.542 -0.014 -6.305 1.00 32.44 H new ATOM 357 N LEU A 22 -8.074 -4.271 -7.827 1.00 43.21 N ATOM 358 CA LEU A 22 -7.700 -5.469 -8.611 1.00 24.01 C ATOM 359 C LEU A 22 -8.945 -6.325 -8.893 1.00 50.13 C ATOM 360 O LEU A 22 -9.266 -6.596 -10.055 1.00 11.40 O ATOM 361 CB LEU A 22 -6.603 -6.286 -7.870 1.00 55.11 C ATOM 362 CG LEU A 22 -6.068 -7.563 -8.610 1.00 34.21 C ATOM 363 CD1 LEU A 22 -5.475 -7.221 -9.999 1.00 40.44 C ATOM 364 CD2 LEU A 22 -5.040 -8.317 -7.738 1.00 32.54 C ATOM 0 H LEU A 22 -7.693 -4.265 -6.881 1.00 43.21 H new ATOM 0 HA LEU A 22 -7.284 -5.152 -9.567 1.00 24.01 H new ATOM 0 HB2 LEU A 22 -5.759 -5.625 -7.674 1.00 55.11 H new ATOM 0 HB3 LEU A 22 -7.000 -6.592 -6.902 1.00 55.11 H new ATOM 0 HG LEU A 22 -6.921 -8.221 -8.777 1.00 34.21 H new ATOM 0 HD11 LEU A 22 -5.117 -8.133 -10.476 1.00 40.44 H new ATOM 0 HD12 LEU A 22 -6.245 -6.764 -10.621 1.00 40.44 H new ATOM 0 HD13 LEU A 22 -4.645 -6.524 -9.879 1.00 40.44 H new ATOM 0 HD21 LEU A 22 -4.685 -9.197 -8.273 1.00 32.54 H new ATOM 0 HD22 LEU A 22 -4.197 -7.661 -7.519 1.00 32.54 H new ATOM 0 HD23 LEU A 22 -5.511 -8.625 -6.805 1.00 32.54 H new ATOM 376 N GLU A 23 -9.654 -6.684 -7.807 1.00 62.25 N ATOM 377 CA GLU A 23 -10.905 -7.466 -7.844 1.00 51.55 C ATOM 378 C GLU A 23 -11.940 -6.831 -8.803 1.00 74.15 C ATOM 379 O GLU A 23 -12.437 -7.478 -9.726 1.00 13.10 O ATOM 380 CB GLU A 23 -11.481 -7.525 -6.405 1.00 51.12 C ATOM 381 CG GLU A 23 -10.597 -8.260 -5.376 1.00 64.34 C ATOM 382 CD GLU A 23 -10.589 -9.781 -5.578 1.00 15.31 C ATOM 383 OE1 GLU A 23 -11.442 -10.469 -4.971 1.00 12.11 O ATOM 384 OE2 GLU A 23 -9.741 -10.301 -6.333 1.00 25.52 O ATOM 0 H GLU A 23 -9.368 -6.434 -6.860 1.00 62.25 H new ATOM 0 HA GLU A 23 -10.691 -8.469 -8.214 1.00 51.55 H new ATOM 0 HB2 GLU A 23 -11.648 -6.506 -6.055 1.00 51.12 H new ATOM 0 HB3 GLU A 23 -12.454 -8.014 -6.440 1.00 51.12 H new ATOM 0 HG2 GLU A 23 -9.576 -7.883 -5.446 1.00 64.34 H new ATOM 0 HG3 GLU A 23 -10.952 -8.033 -4.371 1.00 64.34 H new ATOM 391 N LEU A 24 -12.182 -5.532 -8.578 1.00 13.15 N ATOM 392 CA LEU A 24 -13.169 -4.726 -9.306 1.00 51.43 C ATOM 393 C LEU A 24 -12.801 -4.620 -10.796 1.00 54.25 C ATOM 394 O LEU A 24 -13.661 -4.794 -11.648 1.00 2.22 O ATOM 395 CB LEU A 24 -13.270 -3.312 -8.666 1.00 65.34 C ATOM 396 CG LEU A 24 -13.813 -3.252 -7.203 1.00 2.14 C ATOM 397 CD1 LEU A 24 -13.589 -1.861 -6.573 1.00 22.25 C ATOM 398 CD2 LEU A 24 -15.292 -3.678 -7.130 1.00 12.21 C ATOM 0 H LEU A 24 -11.683 -5.000 -7.865 1.00 13.15 H new ATOM 0 HA LEU A 24 -14.139 -5.217 -9.236 1.00 51.43 H new ATOM 0 HB2 LEU A 24 -12.279 -2.858 -8.682 1.00 65.34 H new ATOM 0 HB3 LEU A 24 -13.913 -2.697 -9.295 1.00 65.34 H new ATOM 0 HG LEU A 24 -13.242 -3.970 -6.614 1.00 2.14 H new ATOM 0 HD11 LEU A 24 -13.979 -1.855 -5.555 1.00 22.25 H new ATOM 0 HD12 LEU A 24 -12.522 -1.638 -6.554 1.00 22.25 H new ATOM 0 HD13 LEU A 24 -14.107 -1.106 -7.164 1.00 22.25 H new ATOM 0 HD21 LEU A 24 -15.636 -3.624 -6.097 1.00 12.21 H new ATOM 0 HD22 LEU A 24 -15.894 -3.011 -7.748 1.00 12.21 H new ATOM 0 HD23 LEU A 24 -15.394 -4.701 -7.493 1.00 12.21 H new ATOM 410 N ALA A 25 -11.503 -4.379 -11.085 1.00 21.43 N ATOM 411 CA ALA A 25 -10.989 -4.246 -12.470 1.00 14.45 C ATOM 412 C ALA A 25 -11.279 -5.513 -13.285 1.00 54.15 C ATOM 413 O ALA A 25 -11.816 -5.444 -14.398 1.00 4.01 O ATOM 414 CB ALA A 25 -9.479 -3.970 -12.454 1.00 62.33 C ATOM 0 H ALA A 25 -10.784 -4.271 -10.370 1.00 21.43 H new ATOM 0 HA ALA A 25 -11.500 -3.407 -12.941 1.00 14.45 H new ATOM 0 HB1 ALA A 25 -9.116 -3.875 -13.477 1.00 62.33 H new ATOM 0 HB2 ALA A 25 -9.284 -3.045 -11.912 1.00 62.33 H new ATOM 0 HB3 ALA A 25 -8.964 -4.794 -11.961 1.00 62.33 H new ATOM 420 N GLN A 26 -10.946 -6.664 -12.676 1.00 12.54 N ATOM 421 CA GLN A 26 -11.147 -7.990 -13.282 1.00 2.54 C ATOM 422 C GLN A 26 -12.650 -8.274 -13.501 1.00 43.31 C ATOM 423 O GLN A 26 -13.040 -8.867 -14.509 1.00 25.34 O ATOM 424 CB GLN A 26 -10.519 -9.080 -12.373 1.00 51.30 C ATOM 425 CG GLN A 26 -8.995 -8.924 -12.157 1.00 74.30 C ATOM 426 CD GLN A 26 -8.406 -9.937 -11.170 1.00 1.43 C ATOM 427 OE1 GLN A 26 -9.085 -10.401 -10.248 1.00 53.51 O ATOM 428 NE2 GLN A 26 -7.134 -10.274 -11.334 1.00 3.32 N ATOM 0 H GLN A 26 -10.528 -6.700 -11.746 1.00 12.54 H new ATOM 0 HA GLN A 26 -10.656 -8.007 -14.255 1.00 2.54 H new ATOM 0 HB2 GLN A 26 -11.016 -9.059 -11.403 1.00 51.30 H new ATOM 0 HB3 GLN A 26 -10.714 -10.059 -12.811 1.00 51.30 H new ATOM 0 HG2 GLN A 26 -8.488 -9.028 -13.117 1.00 74.30 H new ATOM 0 HG3 GLN A 26 -8.789 -7.916 -11.796 1.00 74.30 H new ATOM 0 HE21 GLN A 26 -6.596 -9.876 -12.104 1.00 3.32 H new ATOM 0 HE22 GLN A 26 -6.693 -10.931 -10.690 1.00 3.32 H new ATOM 437 N ARG A 27 -13.481 -7.824 -12.543 1.00 74.20 N ATOM 438 CA ARG A 27 -14.948 -8.034 -12.559 1.00 53.33 C ATOM 439 C ARG A 27 -15.704 -6.924 -13.327 1.00 3.13 C ATOM 440 O ARG A 27 -16.940 -6.928 -13.357 1.00 71.22 O ATOM 441 CB ARG A 27 -15.458 -8.160 -11.096 1.00 44.42 C ATOM 442 CG ARG A 27 -14.907 -9.401 -10.350 1.00 33.55 C ATOM 443 CD ARG A 27 -15.262 -9.427 -8.850 1.00 5.44 C ATOM 444 NE ARG A 27 -14.703 -10.626 -8.196 1.00 12.34 N ATOM 445 CZ ARG A 27 -14.170 -10.672 -6.966 1.00 60.31 C ATOM 446 NH1 ARG A 27 -14.101 -9.589 -6.204 1.00 71.31 N ATOM 447 NH2 ARG A 27 -13.694 -11.815 -6.507 1.00 4.40 N ATOM 0 H ARG A 27 -13.156 -7.301 -11.730 1.00 74.20 H new ATOM 0 HA ARG A 27 -15.154 -8.958 -13.100 1.00 53.33 H new ATOM 0 HB2 ARG A 27 -15.179 -7.262 -10.545 1.00 44.42 H new ATOM 0 HB3 ARG A 27 -16.547 -8.205 -11.103 1.00 44.42 H new ATOM 0 HG2 ARG A 27 -15.298 -10.302 -10.823 1.00 33.55 H new ATOM 0 HG3 ARG A 27 -13.823 -9.428 -10.459 1.00 33.55 H new ATOM 0 HD2 ARG A 27 -14.876 -8.530 -8.365 1.00 5.44 H new ATOM 0 HD3 ARG A 27 -16.345 -9.413 -8.728 1.00 5.44 H new ATOM 0 HE ARG A 27 -14.724 -11.497 -8.726 1.00 12.34 H new ATOM 0 HH11 ARG A 27 -14.457 -8.698 -6.550 1.00 71.31 H new ATOM 0 HH12 ARG A 27 -13.692 -9.647 -5.272 1.00 71.31 H new ATOM 0 HH21 ARG A 27 -13.733 -12.653 -7.087 1.00 4.40 H new ATOM 0 HH22 ARG A 27 -13.287 -11.859 -5.573 1.00 4.40 H new ATOM 461 N GLY A 28 -14.961 -5.975 -13.938 1.00 75.42 N ATOM 462 CA GLY A 28 -15.544 -4.966 -14.844 1.00 14.03 C ATOM 463 C GLY A 28 -16.130 -3.739 -14.153 1.00 31.13 C ATOM 464 O GLY A 28 -16.840 -2.948 -14.779 1.00 72.52 O ATOM 0 H GLY A 28 -13.952 -5.888 -13.818 1.00 75.42 H new ATOM 0 HA2 GLY A 28 -14.773 -4.638 -15.541 1.00 14.03 H new ATOM 0 HA3 GLY A 28 -16.328 -5.440 -15.435 1.00 14.03 H new ATOM 468 N GLU A 29 -15.835 -3.592 -12.864 1.00 51.11 N ATOM 469 CA GLU A 29 -16.231 -2.439 -12.042 1.00 52.00 C ATOM 470 C GLU A 29 -15.133 -1.345 -12.078 1.00 51.44 C ATOM 471 O GLU A 29 -14.711 -0.835 -11.028 1.00 14.40 O ATOM 472 CB GLU A 29 -16.465 -2.925 -10.585 1.00 70.44 C ATOM 473 CG GLU A 29 -17.465 -4.085 -10.419 1.00 21.31 C ATOM 474 CD GLU A 29 -18.904 -3.698 -10.784 1.00 60.21 C ATOM 475 OE1 GLU A 29 -19.610 -3.121 -9.933 1.00 51.24 O ATOM 476 OE2 GLU A 29 -19.334 -3.960 -11.923 1.00 42.52 O ATOM 0 H GLU A 29 -15.300 -4.287 -12.343 1.00 51.11 H new ATOM 0 HA GLU A 29 -17.149 -2.004 -12.437 1.00 52.00 H new ATOM 0 HB2 GLU A 29 -15.507 -3.233 -10.166 1.00 70.44 H new ATOM 0 HB3 GLU A 29 -16.815 -2.080 -9.992 1.00 70.44 H new ATOM 0 HG2 GLU A 29 -17.150 -4.920 -11.045 1.00 21.31 H new ATOM 0 HG3 GLU A 29 -17.440 -4.433 -9.386 1.00 21.31 H new ATOM 483 N TRP A 30 -14.697 -0.971 -13.302 1.00 54.34 N ATOM 484 CA TRP A 30 -13.625 0.035 -13.511 1.00 10.41 C ATOM 485 C TRP A 30 -14.065 1.426 -13.005 1.00 51.32 C ATOM 486 O TRP A 30 -13.223 2.255 -12.637 1.00 20.11 O ATOM 487 CB TRP A 30 -13.217 0.131 -15.002 1.00 0.42 C ATOM 488 CG TRP A 30 -12.756 -1.172 -15.628 1.00 22.14 C ATOM 489 CD1 TRP A 30 -13.535 -2.103 -16.265 1.00 54.42 C ATOM 490 CD2 TRP A 30 -11.408 -1.672 -15.697 1.00 71.24 C ATOM 491 NE1 TRP A 30 -12.760 -3.140 -16.717 1.00 75.13 N ATOM 492 CE2 TRP A 30 -11.455 -2.900 -16.385 1.00 4.14 C ATOM 493 CE3 TRP A 30 -10.166 -1.200 -15.248 1.00 24.22 C ATOM 494 CZ2 TRP A 30 -10.314 -3.661 -16.635 1.00 33.44 C ATOM 495 CZ3 TRP A 30 -9.036 -1.961 -15.494 1.00 32.10 C ATOM 496 CH2 TRP A 30 -9.116 -3.176 -16.189 1.00 55.41 C ATOM 0 H TRP A 30 -15.074 -1.354 -14.169 1.00 54.34 H new ATOM 0 HA TRP A 30 -12.760 -0.297 -12.936 1.00 10.41 H new ATOM 0 HB2 TRP A 30 -14.066 0.509 -15.571 1.00 0.42 H new ATOM 0 HB3 TRP A 30 -12.417 0.865 -15.097 1.00 0.42 H new ATOM 0 HD1 TRP A 30 -14.605 -2.030 -16.392 1.00 54.42 H new ATOM 0 HE1 TRP A 30 -13.102 -3.959 -17.220 1.00 75.13 H new ATOM 0 HE3 TRP A 30 -10.093 -0.261 -14.720 1.00 24.22 H new ATOM 0 HZ2 TRP A 30 -10.374 -4.601 -17.163 1.00 33.44 H new ATOM 0 HZ3 TRP A 30 -8.075 -1.612 -15.144 1.00 32.10 H new ATOM 0 HH2 TRP A 30 -8.214 -3.740 -16.376 1.00 55.41 H new ATOM 507 N ASP A 31 -15.398 1.663 -13.003 1.00 52.44 N ATOM 508 CA ASP A 31 -16.005 2.875 -12.415 1.00 4.33 C ATOM 509 C ASP A 31 -15.614 3.006 -10.942 1.00 40.00 C ATOM 510 O ASP A 31 -15.252 4.076 -10.491 1.00 11.51 O ATOM 511 CB ASP A 31 -17.552 2.856 -12.546 1.00 62.21 C ATOM 512 CG ASP A 31 -18.024 2.994 -13.997 1.00 13.41 C ATOM 513 OD1 ASP A 31 -18.240 4.129 -14.461 1.00 63.22 O ATOM 514 OD2 ASP A 31 -18.158 1.970 -14.692 1.00 50.50 O ATOM 0 H ASP A 31 -16.079 1.020 -13.408 1.00 52.44 H new ATOM 0 HA ASP A 31 -15.625 3.734 -12.968 1.00 4.33 H new ATOM 0 HB2 ASP A 31 -17.936 1.925 -12.130 1.00 62.21 H new ATOM 0 HB3 ASP A 31 -17.973 3.668 -11.953 1.00 62.21 H new ATOM 519 N LEU A 32 -15.651 1.880 -10.217 1.00 51.21 N ATOM 520 CA LEU A 32 -15.327 1.846 -8.784 1.00 53.24 C ATOM 521 C LEU A 32 -13.810 2.031 -8.545 1.00 23.24 C ATOM 522 O LEU A 32 -13.408 2.391 -7.443 1.00 31.10 O ATOM 523 CB LEU A 32 -15.869 0.548 -8.142 1.00 40.13 C ATOM 524 CG LEU A 32 -17.407 0.316 -8.307 1.00 72.42 C ATOM 525 CD1 LEU A 32 -17.859 -0.979 -7.618 1.00 65.21 C ATOM 526 CD2 LEU A 32 -18.225 1.527 -7.811 1.00 50.24 C ATOM 0 H LEU A 32 -15.905 0.971 -10.605 1.00 51.21 H new ATOM 0 HA LEU A 32 -15.821 2.686 -8.295 1.00 53.24 H new ATOM 0 HB2 LEU A 32 -15.341 -0.301 -8.576 1.00 40.13 H new ATOM 0 HB3 LEU A 32 -15.632 0.561 -7.078 1.00 40.13 H new ATOM 0 HG LEU A 32 -17.600 0.207 -9.374 1.00 72.42 H new ATOM 0 HD11 LEU A 32 -18.933 -1.107 -7.753 1.00 65.21 H new ATOM 0 HD12 LEU A 32 -17.334 -1.827 -8.057 1.00 65.21 H new ATOM 0 HD13 LEU A 32 -17.632 -0.923 -6.553 1.00 65.21 H new ATOM 0 HD21 LEU A 32 -19.288 1.326 -7.943 1.00 50.24 H new ATOM 0 HD22 LEU A 32 -18.016 1.699 -6.755 1.00 50.24 H new ATOM 0 HD23 LEU A 32 -17.949 2.412 -8.384 1.00 50.24 H new ATOM 538 N LEU A 33 -12.977 1.800 -9.595 1.00 62.41 N ATOM 539 CA LEU A 33 -11.548 2.204 -9.575 1.00 2.21 C ATOM 540 C LEU A 33 -11.454 3.737 -9.627 1.00 52.33 C ATOM 541 O LEU A 33 -10.724 4.342 -8.841 1.00 43.53 O ATOM 542 CB LEU A 33 -10.707 1.574 -10.739 1.00 12.21 C ATOM 543 CG LEU A 33 -10.251 0.093 -10.544 1.00 65.53 C ATOM 544 CD1 LEU A 33 -11.435 -0.884 -10.562 1.00 22.03 C ATOM 545 CD2 LEU A 33 -9.170 -0.305 -11.574 1.00 43.23 C ATOM 0 H LEU A 33 -13.269 1.340 -10.458 1.00 62.41 H new ATOM 0 HA LEU A 33 -11.120 1.824 -8.648 1.00 2.21 H new ATOM 0 HB2 LEU A 33 -11.294 1.633 -11.655 1.00 12.21 H new ATOM 0 HB3 LEU A 33 -9.819 2.188 -10.890 1.00 12.21 H new ATOM 0 HG LEU A 33 -9.802 0.026 -9.553 1.00 65.53 H new ATOM 0 HD11 LEU A 33 -11.069 -1.901 -10.423 1.00 22.03 H new ATOM 0 HD12 LEU A 33 -12.126 -0.633 -9.757 1.00 22.03 H new ATOM 0 HD13 LEU A 33 -11.952 -0.812 -11.519 1.00 22.03 H new ATOM 0 HD21 LEU A 33 -8.875 -1.341 -11.410 1.00 43.23 H new ATOM 0 HD22 LEU A 33 -9.570 -0.197 -12.582 1.00 43.23 H new ATOM 0 HD23 LEU A 33 -8.301 0.342 -11.458 1.00 43.23 H new ATOM 557 N LEU A 34 -12.225 4.339 -10.556 1.00 21.23 N ATOM 558 CA LEU A 34 -12.280 5.809 -10.746 1.00 43.11 C ATOM 559 C LEU A 34 -12.795 6.523 -9.470 1.00 44.33 C ATOM 560 O LEU A 34 -12.294 7.586 -9.101 1.00 23.20 O ATOM 561 CB LEU A 34 -13.192 6.150 -11.961 1.00 64.43 C ATOM 562 CG LEU A 34 -12.820 5.456 -13.313 1.00 35.44 C ATOM 563 CD1 LEU A 34 -13.876 5.744 -14.401 1.00 62.44 C ATOM 564 CD2 LEU A 34 -11.398 5.844 -13.785 1.00 74.21 C ATOM 0 H LEU A 34 -12.828 3.823 -11.197 1.00 21.23 H new ATOM 0 HA LEU A 34 -11.269 6.166 -10.942 1.00 43.11 H new ATOM 0 HB2 LEU A 34 -14.217 5.881 -11.707 1.00 64.43 H new ATOM 0 HB3 LEU A 34 -13.174 7.229 -12.112 1.00 64.43 H new ATOM 0 HG LEU A 34 -12.816 4.381 -13.135 1.00 35.44 H new ATOM 0 HD11 LEU A 34 -13.588 5.248 -15.328 1.00 62.44 H new ATOM 0 HD12 LEU A 34 -14.846 5.369 -14.075 1.00 62.44 H new ATOM 0 HD13 LEU A 34 -13.941 6.819 -14.570 1.00 62.44 H new ATOM 0 HD21 LEU A 34 -11.178 5.342 -14.727 1.00 74.21 H new ATOM 0 HD22 LEU A 34 -11.344 6.923 -13.928 1.00 74.21 H new ATOM 0 HD23 LEU A 34 -10.670 5.541 -13.033 1.00 74.21 H new ATOM 576 N GLN A 35 -13.788 5.898 -8.804 1.00 21.24 N ATOM 577 CA GLN A 35 -14.411 6.421 -7.566 1.00 55.54 C ATOM 578 C GLN A 35 -13.426 6.369 -6.375 1.00 61.22 C ATOM 579 O GLN A 35 -13.328 7.333 -5.609 1.00 55.30 O ATOM 580 CB GLN A 35 -15.724 5.626 -7.222 1.00 41.41 C ATOM 581 CG GLN A 35 -17.066 6.254 -7.698 1.00 75.32 C ATOM 582 CD GLN A 35 -17.304 6.257 -9.217 1.00 33.44 C ATOM 583 OE1 GLN A 35 -16.388 6.387 -10.025 1.00 42.42 O ATOM 584 NE2 GLN A 35 -18.556 6.118 -9.616 1.00 13.24 N ATOM 0 H GLN A 35 -14.184 5.010 -9.111 1.00 21.24 H new ATOM 0 HA GLN A 35 -14.672 7.464 -7.745 1.00 55.54 H new ATOM 0 HB2 GLN A 35 -15.642 4.629 -7.656 1.00 41.41 H new ATOM 0 HB3 GLN A 35 -15.772 5.500 -6.140 1.00 41.41 H new ATOM 0 HG2 GLN A 35 -17.886 5.716 -7.222 1.00 75.32 H new ATOM 0 HG3 GLN A 35 -17.110 7.283 -7.341 1.00 75.32 H new ATOM 0 HE21 GLN A 35 -19.302 6.011 -8.928 1.00 13.24 H new ATOM 0 HE22 GLN A 35 -18.777 6.117 -10.612 1.00 13.24 H new ATOM 593 N GLN A 36 -12.718 5.230 -6.215 1.00 63.14 N ATOM 594 CA GLN A 36 -11.763 5.026 -5.093 1.00 50.22 C ATOM 595 C GLN A 36 -10.398 5.682 -5.382 1.00 44.32 C ATOM 596 O GLN A 36 -9.588 5.831 -4.462 1.00 52.44 O ATOM 597 CB GLN A 36 -11.567 3.510 -4.799 1.00 54.11 C ATOM 598 CG GLN A 36 -12.849 2.760 -4.373 1.00 14.22 C ATOM 599 CD GLN A 36 -13.483 3.276 -3.075 1.00 53.14 C ATOM 600 OE1 GLN A 36 -12.802 3.746 -2.161 1.00 22.04 O ATOM 601 NE2 GLN A 36 -14.801 3.194 -2.983 1.00 45.41 N ATOM 0 H GLN A 36 -12.787 4.433 -6.848 1.00 63.14 H new ATOM 0 HA GLN A 36 -12.194 5.506 -4.214 1.00 50.22 H new ATOM 0 HB2 GLN A 36 -11.162 3.031 -5.691 1.00 54.11 H new ATOM 0 HB3 GLN A 36 -10.821 3.401 -4.012 1.00 54.11 H new ATOM 0 HG2 GLN A 36 -13.583 2.834 -5.176 1.00 14.22 H new ATOM 0 HG3 GLN A 36 -12.614 1.702 -4.253 1.00 14.22 H new ATOM 0 HE21 GLN A 36 -15.343 2.801 -3.753 1.00 45.41 H new ATOM 0 HE22 GLN A 36 -15.275 3.524 -2.142 1.00 45.41 H new ATOM 610 N GLU A 37 -10.164 6.035 -6.672 1.00 50.54 N ATOM 611 CA GLU A 37 -8.896 6.609 -7.175 1.00 54.21 C ATOM 612 C GLU A 37 -8.339 7.734 -6.280 1.00 52.03 C ATOM 613 O GLU A 37 -7.322 7.537 -5.626 1.00 42.22 O ATOM 614 CB GLU A 37 -9.120 7.170 -8.607 1.00 52.23 C ATOM 615 CG GLU A 37 -7.882 7.822 -9.250 1.00 72.25 C ATOM 616 CD GLU A 37 -8.226 8.690 -10.464 1.00 53.15 C ATOM 617 OE1 GLU A 37 -8.281 8.164 -11.596 1.00 72.13 O ATOM 618 OE2 GLU A 37 -8.466 9.907 -10.285 1.00 65.32 O ATOM 0 H GLU A 37 -10.867 5.925 -7.403 1.00 50.54 H new ATOM 0 HA GLU A 37 -8.162 5.803 -7.174 1.00 54.21 H new ATOM 0 HB2 GLU A 37 -9.460 6.358 -9.250 1.00 52.23 H new ATOM 0 HB3 GLU A 37 -9.923 7.906 -8.571 1.00 52.23 H new ATOM 0 HG2 GLU A 37 -7.372 8.434 -8.506 1.00 72.25 H new ATOM 0 HG3 GLU A 37 -7.184 7.042 -9.554 1.00 72.25 H new ATOM 625 N VAL A 38 -9.070 8.869 -6.205 1.00 54.13 N ATOM 626 CA VAL A 38 -8.590 10.114 -5.563 1.00 2.21 C ATOM 627 C VAL A 38 -8.299 9.889 -4.056 1.00 34.21 C ATOM 628 O VAL A 38 -7.328 10.436 -3.509 1.00 1.31 O ATOM 629 CB VAL A 38 -9.628 11.288 -5.766 1.00 44.23 C ATOM 630 CG1 VAL A 38 -9.125 12.622 -5.160 1.00 21.12 C ATOM 631 CG2 VAL A 38 -9.981 11.457 -7.270 1.00 3.11 C ATOM 0 H VAL A 38 -10.012 8.948 -6.589 1.00 54.13 H new ATOM 0 HA VAL A 38 -7.655 10.400 -6.045 1.00 2.21 H new ATOM 0 HB VAL A 38 -10.535 11.015 -5.227 1.00 44.23 H new ATOM 0 HG11 VAL A 38 -9.871 13.400 -5.323 1.00 21.12 H new ATOM 0 HG12 VAL A 38 -8.960 12.496 -4.090 1.00 21.12 H new ATOM 0 HG13 VAL A 38 -8.190 12.910 -5.640 1.00 21.12 H new ATOM 0 HG21 VAL A 38 -10.697 12.271 -7.386 1.00 3.11 H new ATOM 0 HG22 VAL A 38 -9.076 11.687 -7.833 1.00 3.11 H new ATOM 0 HG23 VAL A 38 -10.418 10.532 -7.647 1.00 3.11 H new ATOM 641 N SER A 39 -9.129 9.032 -3.427 1.00 61.54 N ATOM 642 CA SER A 39 -8.977 8.630 -2.021 1.00 1.13 C ATOM 643 C SER A 39 -7.681 7.823 -1.822 1.00 62.11 C ATOM 644 O SER A 39 -6.881 8.143 -0.944 1.00 74.23 O ATOM 645 CB SER A 39 -10.197 7.797 -1.569 1.00 65.12 C ATOM 646 OG SER A 39 -11.396 8.539 -1.706 1.00 14.24 O ATOM 0 H SER A 39 -9.929 8.598 -3.888 1.00 61.54 H new ATOM 0 HA SER A 39 -8.918 9.531 -1.411 1.00 1.13 H new ATOM 0 HB2 SER A 39 -10.259 6.885 -2.163 1.00 65.12 H new ATOM 0 HB3 SER A 39 -10.070 7.493 -0.530 1.00 65.12 H new ATOM 0 HG SER A 39 -12.155 7.991 -1.416 1.00 14.24 H new ATOM 652 N TYR A 40 -7.482 6.808 -2.694 1.00 53.33 N ATOM 653 CA TYR A 40 -6.315 5.899 -2.660 1.00 70.11 C ATOM 654 C TYR A 40 -5.010 6.675 -2.854 1.00 63.32 C ATOM 655 O TYR A 40 -4.018 6.403 -2.179 1.00 22.32 O ATOM 656 CB TYR A 40 -6.457 4.802 -3.762 1.00 11.41 C ATOM 657 CG TYR A 40 -5.241 3.863 -3.914 1.00 34.43 C ATOM 658 CD1 TYR A 40 -4.779 3.099 -2.836 1.00 63.54 C ATOM 659 CD2 TYR A 40 -4.556 3.737 -5.134 1.00 31.31 C ATOM 660 CE1 TYR A 40 -3.693 2.257 -2.964 1.00 70.02 C ATOM 661 CE2 TYR A 40 -3.465 2.891 -5.261 1.00 31.35 C ATOM 662 CZ TYR A 40 -3.040 2.154 -4.172 1.00 74.14 C ATOM 663 OH TYR A 40 -1.961 1.302 -4.289 1.00 15.31 O ATOM 0 H TYR A 40 -8.135 6.596 -3.449 1.00 53.33 H new ATOM 0 HA TYR A 40 -6.284 5.420 -1.681 1.00 70.11 H new ATOM 0 HB2 TYR A 40 -7.337 4.198 -3.540 1.00 11.41 H new ATOM 0 HB3 TYR A 40 -6.640 5.292 -4.718 1.00 11.41 H new ATOM 0 HD1 TYR A 40 -5.283 3.170 -1.884 1.00 63.54 H new ATOM 0 HD2 TYR A 40 -4.885 4.310 -5.989 1.00 31.31 H new ATOM 0 HE1 TYR A 40 -3.355 1.679 -2.117 1.00 70.02 H new ATOM 0 HE2 TYR A 40 -2.950 2.808 -6.207 1.00 31.35 H new ATOM 0 HH TYR A 40 -1.820 1.080 -5.233 1.00 15.31 H new ATOM 673 N LEU A 41 -5.061 7.642 -3.768 1.00 53.21 N ATOM 674 CA LEU A 41 -3.907 8.440 -4.184 1.00 52.53 C ATOM 675 C LEU A 41 -3.446 9.405 -3.069 1.00 54.42 C ATOM 676 O LEU A 41 -2.245 9.464 -2.722 1.00 2.02 O ATOM 677 CB LEU A 41 -4.277 9.194 -5.482 1.00 34.12 C ATOM 678 CG LEU A 41 -4.507 8.296 -6.741 1.00 11.35 C ATOM 679 CD1 LEU A 41 -4.816 9.142 -7.978 1.00 75.40 C ATOM 680 CD2 LEU A 41 -3.322 7.346 -6.994 1.00 53.14 C ATOM 0 H LEU A 41 -5.922 7.899 -4.250 1.00 53.21 H new ATOM 0 HA LEU A 41 -3.060 7.782 -4.377 1.00 52.53 H new ATOM 0 HB2 LEU A 41 -5.183 9.772 -5.300 1.00 34.12 H new ATOM 0 HB3 LEU A 41 -3.483 9.907 -5.706 1.00 34.12 H new ATOM 0 HG LEU A 41 -5.378 7.674 -6.537 1.00 11.35 H new ATOM 0 HD11 LEU A 41 -4.971 8.488 -8.836 1.00 75.40 H new ATOM 0 HD12 LEU A 41 -5.717 9.729 -7.802 1.00 75.40 H new ATOM 0 HD13 LEU A 41 -3.980 9.812 -8.178 1.00 75.40 H new ATOM 0 HD21 LEU A 41 -3.523 6.741 -7.878 1.00 53.14 H new ATOM 0 HD22 LEU A 41 -2.415 7.930 -7.153 1.00 53.14 H new ATOM 0 HD23 LEU A 41 -3.187 6.694 -6.131 1.00 53.14 H new ATOM 692 N GLN A 42 -4.417 10.132 -2.493 1.00 72.45 N ATOM 693 CA GLN A 42 -4.159 11.060 -1.383 1.00 63.54 C ATOM 694 C GLN A 42 -3.643 10.274 -0.149 1.00 42.51 C ATOM 695 O GLN A 42 -2.694 10.704 0.523 1.00 13.23 O ATOM 696 CB GLN A 42 -5.447 11.856 -1.058 1.00 32.05 C ATOM 697 CG GLN A 42 -5.237 13.065 -0.124 1.00 32.22 C ATOM 698 CD GLN A 42 -6.535 13.818 0.202 1.00 52.12 C ATOM 699 OE1 GLN A 42 -7.471 13.861 -0.600 1.00 5.32 O ATOM 700 NE2 GLN A 42 -6.597 14.418 1.382 1.00 65.13 N ATOM 0 H GLN A 42 -5.395 10.093 -2.781 1.00 72.45 H new ATOM 0 HA GLN A 42 -3.387 11.774 -1.669 1.00 63.54 H new ATOM 0 HB2 GLN A 42 -5.887 12.207 -1.992 1.00 32.05 H new ATOM 0 HB3 GLN A 42 -6.170 11.181 -0.600 1.00 32.05 H new ATOM 0 HG2 GLN A 42 -4.782 12.722 0.805 1.00 32.22 H new ATOM 0 HG3 GLN A 42 -4.532 13.755 -0.588 1.00 32.22 H new ATOM 0 HE21 GLN A 42 -5.806 14.364 2.024 1.00 65.13 H new ATOM 0 HE22 GLN A 42 -7.436 14.934 1.649 1.00 65.13 H new ATOM 709 N SER A 43 -4.238 9.078 0.083 1.00 51.54 N ATOM 710 CA SER A 43 -3.849 8.181 1.188 1.00 14.23 C ATOM 711 C SER A 43 -2.389 7.722 1.038 1.00 35.44 C ATOM 712 O SER A 43 -1.581 7.985 1.931 1.00 35.51 O ATOM 713 CB SER A 43 -4.796 6.959 1.275 1.00 1.35 C ATOM 714 OG SER A 43 -6.119 7.364 1.573 1.00 2.32 O ATOM 0 H SER A 43 -4.998 8.713 -0.491 1.00 51.54 H new ATOM 0 HA SER A 43 -3.936 8.745 2.117 1.00 14.23 H new ATOM 0 HB2 SER A 43 -4.782 6.415 0.330 1.00 1.35 H new ATOM 0 HB3 SER A 43 -4.440 6.272 2.043 1.00 1.35 H new ATOM 0 HG SER A 43 -6.533 7.744 0.770 1.00 2.32 H new ATOM 720 N ILE A 44 -2.058 7.102 -0.125 1.00 43.13 N ATOM 721 CA ILE A 44 -0.733 6.479 -0.380 1.00 21.43 C ATOM 722 C ILE A 44 0.404 7.514 -0.225 1.00 32.22 C ATOM 723 O ILE A 44 1.439 7.222 0.417 1.00 33.51 O ATOM 724 CB ILE A 44 -0.670 5.749 -1.795 1.00 42.22 C ATOM 725 CG1 ILE A 44 0.668 4.966 -1.998 1.00 50.45 C ATOM 726 CG2 ILE A 44 -0.904 6.718 -2.973 1.00 52.04 C ATOM 727 CD1 ILE A 44 0.783 4.246 -3.342 1.00 50.51 C ATOM 0 H ILE A 44 -2.702 7.020 -0.912 1.00 43.13 H new ATOM 0 HA ILE A 44 -0.591 5.706 0.375 1.00 21.43 H new ATOM 0 HB ILE A 44 -1.488 5.029 -1.789 1.00 42.22 H new ATOM 0 HG12 ILE A 44 1.500 5.663 -1.901 1.00 50.45 H new ATOM 0 HG13 ILE A 44 0.771 4.233 -1.198 1.00 50.45 H new ATOM 0 HG21 ILE A 44 -0.850 6.168 -3.913 1.00 52.04 H new ATOM 0 HG22 ILE A 44 -1.888 7.177 -2.877 1.00 52.04 H new ATOM 0 HG23 ILE A 44 -0.139 7.494 -2.963 1.00 52.04 H new ATOM 0 HD11 ILE A 44 1.741 3.730 -3.397 1.00 50.51 H new ATOM 0 HD12 ILE A 44 -0.026 3.521 -3.437 1.00 50.51 H new ATOM 0 HD13 ILE A 44 0.716 4.973 -4.151 1.00 50.51 H new ATOM 739 N GLU A 45 0.173 8.746 -0.759 1.00 33.12 N ATOM 740 CA GLU A 45 1.123 9.862 -0.596 1.00 51.34 C ATOM 741 C GLU A 45 1.320 10.217 0.894 1.00 21.32 C ATOM 742 O GLU A 45 2.466 10.306 1.350 1.00 14.13 O ATOM 743 CB GLU A 45 0.690 11.102 -1.423 1.00 4.34 C ATOM 744 CG GLU A 45 0.968 10.982 -2.939 1.00 23.41 C ATOM 745 CD GLU A 45 2.467 10.790 -3.294 1.00 54.33 C ATOM 746 OE1 GLU A 45 2.808 9.909 -4.117 1.00 51.11 O ATOM 747 OE2 GLU A 45 3.315 11.523 -2.754 1.00 31.14 O ATOM 0 H GLU A 45 -0.659 8.981 -1.300 1.00 33.12 H new ATOM 0 HA GLU A 45 2.086 9.533 -0.985 1.00 51.34 H new ATOM 0 HB2 GLU A 45 -0.376 11.270 -1.273 1.00 4.34 H new ATOM 0 HB3 GLU A 45 1.209 11.980 -1.038 1.00 4.34 H new ATOM 0 HG2 GLU A 45 0.401 10.140 -3.336 1.00 23.41 H new ATOM 0 HG3 GLU A 45 0.599 11.879 -3.437 1.00 23.41 H new ATOM 754 N THR A 46 0.199 10.370 1.649 1.00 14.42 N ATOM 755 CA THR A 46 0.238 10.690 3.103 1.00 1.31 C ATOM 756 C THR A 46 1.052 9.635 3.908 1.00 45.00 C ATOM 757 O THR A 46 1.814 9.991 4.813 1.00 53.23 O ATOM 758 CB THR A 46 -1.211 10.813 3.706 1.00 43.51 C ATOM 759 OG1 THR A 46 -1.960 11.801 2.987 1.00 75.34 O ATOM 760 CG2 THR A 46 -1.203 11.196 5.200 1.00 31.04 C ATOM 0 H THR A 46 -0.745 10.277 1.274 1.00 14.42 H new ATOM 0 HA THR A 46 0.739 11.654 3.193 1.00 1.31 H new ATOM 0 HB THR A 46 -1.672 9.830 3.610 1.00 43.51 H new ATOM 0 HG1 THR A 46 -2.228 11.439 2.117 1.00 75.34 H new ATOM 0 HG21 THR A 46 -2.228 11.267 5.563 1.00 31.04 H new ATOM 0 HG22 THR A 46 -0.669 10.434 5.768 1.00 31.04 H new ATOM 0 HG23 THR A 46 -0.706 12.158 5.326 1.00 31.04 H new ATOM 768 N VAL A 47 0.904 8.344 3.536 1.00 41.41 N ATOM 769 CA VAL A 47 1.582 7.217 4.220 1.00 3.20 C ATOM 770 C VAL A 47 3.102 7.306 4.019 1.00 1.14 C ATOM 771 O VAL A 47 3.871 7.142 4.975 1.00 2.23 O ATOM 772 CB VAL A 47 1.070 5.818 3.710 1.00 45.54 C ATOM 773 CG1 VAL A 47 1.712 4.646 4.504 1.00 41.24 C ATOM 774 CG2 VAL A 47 -0.468 5.742 3.756 1.00 23.20 C ATOM 0 H VAL A 47 0.314 8.053 2.756 1.00 41.41 H new ATOM 0 HA VAL A 47 1.342 7.298 5.280 1.00 3.20 H new ATOM 0 HB VAL A 47 1.383 5.716 2.671 1.00 45.54 H new ATOM 0 HG11 VAL A 47 1.334 3.698 4.123 1.00 41.24 H new ATOM 0 HG12 VAL A 47 2.795 4.678 4.387 1.00 41.24 H new ATOM 0 HG13 VAL A 47 1.458 4.740 5.560 1.00 41.24 H new ATOM 0 HG21 VAL A 47 -0.795 4.766 3.399 1.00 23.20 H new ATOM 0 HG22 VAL A 47 -0.809 5.886 4.781 1.00 23.20 H new ATOM 0 HG23 VAL A 47 -0.890 6.521 3.121 1.00 23.20 H new ATOM 784 N MET A 48 3.520 7.587 2.766 1.00 44.10 N ATOM 785 CA MET A 48 4.956 7.723 2.415 1.00 40.12 C ATOM 786 C MET A 48 5.578 8.998 3.027 1.00 43.23 C ATOM 787 O MET A 48 6.787 9.040 3.281 1.00 3.25 O ATOM 788 CB MET A 48 5.140 7.703 0.882 1.00 70.10 C ATOM 789 CG MET A 48 4.743 6.378 0.225 1.00 11.42 C ATOM 790 SD MET A 48 4.983 6.397 -1.560 1.00 62.41 S ATOM 791 CE MET A 48 3.761 7.599 -2.068 1.00 22.43 C ATOM 0 H MET A 48 2.886 7.725 1.979 1.00 44.10 H new ATOM 0 HA MET A 48 5.484 6.870 2.841 1.00 40.12 H new ATOM 0 HB2 MET A 48 4.547 8.506 0.445 1.00 70.10 H new ATOM 0 HB3 MET A 48 6.184 7.914 0.649 1.00 70.10 H new ATOM 0 HG2 MET A 48 5.331 5.570 0.659 1.00 11.42 H new ATOM 0 HG3 MET A 48 3.697 6.165 0.446 1.00 11.42 H new ATOM 0 HE1 MET A 48 3.513 7.444 -3.118 1.00 22.43 H new ATOM 0 HE2 MET A 48 2.863 7.483 -1.462 1.00 22.43 H new ATOM 0 HE3 MET A 48 4.162 8.604 -1.935 1.00 22.43 H new ATOM 801 N GLU A 49 4.740 10.029 3.257 1.00 12.14 N ATOM 802 CA GLU A 49 5.155 11.266 3.958 1.00 74.20 C ATOM 803 C GLU A 49 5.384 11.008 5.466 1.00 42.03 C ATOM 804 O GLU A 49 6.132 11.745 6.120 1.00 34.44 O ATOM 805 CB GLU A 49 4.085 12.374 3.761 1.00 60.50 C ATOM 806 CG GLU A 49 3.991 12.923 2.321 1.00 52.31 C ATOM 807 CD GLU A 49 2.779 13.849 2.094 1.00 15.12 C ATOM 808 OE1 GLU A 49 2.785 14.986 2.602 1.00 63.45 O ATOM 809 OE2 GLU A 49 1.823 13.445 1.395 1.00 41.21 O ATOM 0 H GLU A 49 3.763 10.031 2.965 1.00 12.14 H new ATOM 0 HA GLU A 49 6.100 11.598 3.527 1.00 74.20 H new ATOM 0 HB2 GLU A 49 3.112 11.977 4.050 1.00 60.50 H new ATOM 0 HB3 GLU A 49 4.306 13.200 4.438 1.00 60.50 H new ATOM 0 HG2 GLU A 49 4.905 13.470 2.089 1.00 52.31 H new ATOM 0 HG3 GLU A 49 3.935 12.086 1.625 1.00 52.31 H new ATOM 816 N LYS A 50 4.727 9.961 6.002 1.00 25.41 N ATOM 817 CA LYS A 50 4.819 9.593 7.431 1.00 3.34 C ATOM 818 C LYS A 50 6.023 8.662 7.666 1.00 65.43 C ATOM 819 O LYS A 50 6.337 7.809 6.830 1.00 73.43 O ATOM 820 CB LYS A 50 3.468 8.944 7.928 1.00 11.34 C ATOM 821 CG LYS A 50 2.817 9.673 9.137 1.00 33.20 C ATOM 822 CD LYS A 50 2.537 11.178 8.858 1.00 65.31 C ATOM 823 CE LYS A 50 1.565 11.401 7.691 1.00 24.05 C ATOM 824 NZ LYS A 50 1.427 12.838 7.348 1.00 55.40 N ATOM 0 H LYS A 50 4.119 9.347 5.460 1.00 25.41 H new ATOM 0 HA LYS A 50 4.979 10.497 8.019 1.00 3.34 H new ATOM 0 HB2 LYS A 50 2.758 8.931 7.101 1.00 11.34 H new ATOM 0 HB3 LYS A 50 3.656 7.906 8.202 1.00 11.34 H new ATOM 0 HG2 LYS A 50 1.881 9.176 9.393 1.00 33.20 H new ATOM 0 HG3 LYS A 50 3.472 9.585 10.003 1.00 33.20 H new ATOM 0 HD2 LYS A 50 2.128 11.639 9.757 1.00 65.31 H new ATOM 0 HD3 LYS A 50 3.478 11.683 8.641 1.00 65.31 H new ATOM 0 HE2 LYS A 50 1.916 10.852 6.817 1.00 24.05 H new ATOM 0 HE3 LYS A 50 0.587 10.995 7.951 1.00 24.05 H new ATOM 0 HZ1 LYS A 50 0.493 13.005 6.921 1.00 55.40 H new ATOM 0 HZ2 LYS A 50 1.521 13.411 8.211 1.00 55.40 H new ATOM 0 HZ3 LYS A 50 2.170 13.106 6.671 1.00 55.40 H new ATOM 838 N GLN A 51 6.688 8.860 8.812 1.00 41.34 N ATOM 839 CA GLN A 51 7.880 8.090 9.211 1.00 33.14 C ATOM 840 C GLN A 51 7.454 6.785 9.918 1.00 50.44 C ATOM 841 O GLN A 51 6.326 6.678 10.418 1.00 32.41 O ATOM 842 CB GLN A 51 8.760 8.964 10.155 1.00 41.21 C ATOM 843 CG GLN A 51 10.134 8.356 10.532 1.00 12.45 C ATOM 844 CD GLN A 51 10.943 9.182 11.540 1.00 24.12 C ATOM 845 OE1 GLN A 51 11.709 8.631 12.344 1.00 65.43 O ATOM 846 NE2 GLN A 51 10.811 10.499 11.510 1.00 72.12 N ATOM 0 H GLN A 51 6.413 9.565 9.496 1.00 41.34 H new ATOM 0 HA GLN A 51 8.460 7.825 8.327 1.00 33.14 H new ATOM 0 HB2 GLN A 51 8.927 9.929 9.678 1.00 41.21 H new ATOM 0 HB3 GLN A 51 8.202 9.154 11.072 1.00 41.21 H new ATOM 0 HG2 GLN A 51 9.975 7.359 10.944 1.00 12.45 H new ATOM 0 HG3 GLN A 51 10.725 8.235 9.624 1.00 12.45 H new ATOM 0 HE21 GLN A 51 10.175 10.933 10.841 1.00 72.12 H new ATOM 0 HE22 GLN A 51 11.345 11.080 12.156 1.00 72.12 H new ATOM 855 N THR A 52 8.362 5.798 9.937 1.00 42.14 N ATOM 856 CA THR A 52 8.154 4.528 10.650 1.00 25.11 C ATOM 857 C THR A 52 8.399 4.718 12.165 1.00 42.21 C ATOM 858 O THR A 52 9.426 5.292 12.550 1.00 54.24 O ATOM 859 CB THR A 52 9.112 3.439 10.085 1.00 72.13 C ATOM 860 OG1 THR A 52 8.983 3.438 8.662 1.00 32.15 O ATOM 861 CG2 THR A 52 8.802 2.024 10.635 1.00 55.40 C ATOM 0 H THR A 52 9.261 5.857 9.459 1.00 42.14 H new ATOM 0 HA THR A 52 7.123 4.205 10.501 1.00 25.11 H new ATOM 0 HB THR A 52 10.128 3.679 10.397 1.00 72.13 H new ATOM 0 HG1 THR A 52 8.046 3.285 8.419 1.00 32.15 H new ATOM 0 HG21 THR A 52 9.501 1.306 10.207 1.00 55.40 H new ATOM 0 HG22 THR A 52 8.903 2.025 11.720 1.00 55.40 H new ATOM 0 HG23 THR A 52 7.784 1.744 10.365 1.00 55.40 H new ATOM 869 N PRO A 53 7.443 4.262 13.044 1.00 2.43 N ATOM 870 CA PRO A 53 7.590 4.345 14.525 1.00 54.31 C ATOM 871 C PRO A 53 8.726 3.432 15.066 1.00 44.33 C ATOM 872 O PRO A 53 9.126 2.476 14.392 1.00 23.50 O ATOM 873 CB PRO A 53 6.194 3.880 15.040 1.00 42.21 C ATOM 874 CG PRO A 53 5.672 3.004 13.946 1.00 3.24 C ATOM 875 CD PRO A 53 6.139 3.651 12.666 1.00 34.22 C ATOM 0 HA PRO A 53 7.870 5.344 14.860 1.00 54.31 H new ATOM 0 HB2 PRO A 53 6.278 3.335 15.980 1.00 42.21 H new ATOM 0 HB3 PRO A 53 5.533 4.728 15.220 1.00 42.21 H new ATOM 0 HG2 PRO A 53 6.057 1.988 14.037 1.00 3.24 H new ATOM 0 HG3 PRO A 53 4.585 2.937 13.980 1.00 3.24 H new ATOM 0 HD2 PRO A 53 6.255 2.920 11.865 1.00 34.22 H new ATOM 0 HD3 PRO A 53 5.431 4.401 12.313 1.00 34.22 H new ATOM 883 N PRO A 54 9.276 3.736 16.289 1.00 63.11 N ATOM 884 CA PRO A 54 10.310 2.892 16.939 1.00 40.32 C ATOM 885 C PRO A 54 9.780 1.492 17.331 1.00 72.20 C ATOM 886 O PRO A 54 10.463 0.491 17.101 1.00 53.00 O ATOM 887 CB PRO A 54 10.737 3.722 18.183 1.00 32.44 C ATOM 888 CG PRO A 54 9.565 4.620 18.467 1.00 11.44 C ATOM 889 CD PRO A 54 8.962 4.941 17.114 1.00 41.13 C ATOM 0 HA PRO A 54 11.142 2.677 16.269 1.00 40.32 H new ATOM 0 HB2 PRO A 54 10.955 3.076 19.033 1.00 32.44 H new ATOM 0 HB3 PRO A 54 11.639 4.300 17.982 1.00 32.44 H new ATOM 0 HG2 PRO A 54 8.839 4.125 19.112 1.00 11.44 H new ATOM 0 HG3 PRO A 54 9.882 5.528 18.981 1.00 11.44 H new ATOM 0 HD2 PRO A 54 7.887 5.108 17.185 1.00 41.13 H new ATOM 0 HD3 PRO A 54 9.398 5.844 16.686 1.00 41.13 H new ATOM 897 N GLY A 55 8.569 1.455 17.947 1.00 45.04 N ATOM 898 CA GLY A 55 7.966 0.220 18.470 1.00 54.12 C ATOM 899 C GLY A 55 7.526 -0.766 17.387 1.00 52.12 C ATOM 900 O GLY A 55 6.342 -0.854 17.047 1.00 63.51 O ATOM 0 H GLY A 55 7.992 2.284 18.090 1.00 45.04 H new ATOM 0 HA2 GLY A 55 8.684 -0.273 19.125 1.00 54.12 H new ATOM 0 HA3 GLY A 55 7.102 0.481 19.082 1.00 54.12 H new ATOM 904 N ILE A 56 8.505 -1.495 16.847 1.00 71.31 N ATOM 905 CA ILE A 56 8.312 -2.524 15.817 1.00 64.25 C ATOM 906 C ILE A 56 8.765 -3.878 16.394 1.00 32.10 C ATOM 907 O ILE A 56 9.794 -3.950 17.076 1.00 61.22 O ATOM 908 CB ILE A 56 9.167 -2.192 14.527 1.00 71.44 C ATOM 909 CG1 ILE A 56 8.869 -0.755 13.981 1.00 12.33 C ATOM 910 CG2 ILE A 56 8.963 -3.255 13.411 1.00 13.43 C ATOM 911 CD1 ILE A 56 7.496 -0.566 13.370 1.00 64.30 C ATOM 0 H ILE A 56 9.482 -1.385 17.120 1.00 71.31 H new ATOM 0 HA ILE A 56 7.260 -2.558 15.533 1.00 64.25 H new ATOM 0 HB ILE A 56 10.213 -2.221 14.832 1.00 71.44 H new ATOM 0 HG12 ILE A 56 8.986 -0.043 14.798 1.00 12.33 H new ATOM 0 HG13 ILE A 56 9.620 -0.506 13.231 1.00 12.33 H new ATOM 0 HG21 ILE A 56 9.567 -2.991 12.543 1.00 13.43 H new ATOM 0 HG22 ILE A 56 9.268 -4.234 13.781 1.00 13.43 H new ATOM 0 HG23 ILE A 56 7.911 -3.286 13.126 1.00 13.43 H new ATOM 0 HD11 ILE A 56 7.391 0.462 13.023 1.00 64.30 H new ATOM 0 HD12 ILE A 56 7.376 -1.247 12.528 1.00 64.30 H new ATOM 0 HD13 ILE A 56 6.732 -0.776 14.119 1.00 64.30 H new ATOM 923 N THR A 57 7.983 -4.933 16.158 1.00 13.03 N ATOM 924 CA THR A 57 8.402 -6.321 16.420 1.00 20.45 C ATOM 925 C THR A 57 8.683 -7.008 15.076 1.00 43.44 C ATOM 926 O THR A 57 8.531 -6.387 14.011 1.00 13.20 O ATOM 927 CB THR A 57 7.307 -7.113 17.208 1.00 31.24 C ATOM 928 OG1 THR A 57 6.119 -7.216 16.418 1.00 50.21 O ATOM 929 CG2 THR A 57 6.969 -6.453 18.558 1.00 2.34 C ATOM 0 H THR A 57 7.039 -4.854 15.779 1.00 13.03 H new ATOM 0 HA THR A 57 9.301 -6.308 17.036 1.00 20.45 H new ATOM 0 HB THR A 57 7.709 -8.105 17.414 1.00 31.24 H new ATOM 0 HG1 THR A 57 5.833 -8.153 16.378 1.00 50.21 H new ATOM 0 HG21 THR A 57 6.204 -7.039 19.068 1.00 2.34 H new ATOM 0 HG22 THR A 57 7.866 -6.410 19.176 1.00 2.34 H new ATOM 0 HG23 THR A 57 6.598 -5.443 18.386 1.00 2.34 H new ATOM 937 N ARG A 58 9.097 -8.284 15.128 1.00 3.44 N ATOM 938 CA ARG A 58 9.291 -9.102 13.923 1.00 71.01 C ATOM 939 C ARG A 58 7.936 -9.342 13.231 1.00 30.00 C ATOM 940 O ARG A 58 7.838 -9.205 12.014 1.00 43.41 O ATOM 941 CB ARG A 58 9.984 -10.452 14.265 1.00 3.53 C ATOM 942 CG ARG A 58 10.230 -11.389 13.055 1.00 62.40 C ATOM 943 CD ARG A 58 11.082 -10.728 11.960 1.00 72.24 C ATOM 944 NE ARG A 58 11.284 -11.610 10.809 1.00 42.30 N ATOM 945 CZ ARG A 58 11.961 -11.273 9.704 1.00 3.35 C ATOM 946 NH1 ARG A 58 12.510 -10.071 9.577 1.00 34.13 N ATOM 947 NH2 ARG A 58 12.097 -12.152 8.730 1.00 71.01 N ATOM 0 H ARG A 58 9.305 -8.773 15.999 1.00 3.44 H new ATOM 0 HA ARG A 58 9.946 -8.562 13.240 1.00 71.01 H new ATOM 0 HB2 ARG A 58 10.941 -10.241 14.742 1.00 3.53 H new ATOM 0 HB3 ARG A 58 9.373 -10.981 14.996 1.00 3.53 H new ATOM 0 HG2 ARG A 58 10.726 -12.297 13.398 1.00 62.40 H new ATOM 0 HG3 ARG A 58 9.271 -11.690 12.632 1.00 62.40 H new ATOM 0 HD2 ARG A 58 10.598 -9.809 11.631 1.00 72.24 H new ATOM 0 HD3 ARG A 58 12.050 -10.447 12.375 1.00 72.24 H new ATOM 0 HE ARG A 58 10.881 -12.546 10.852 1.00 42.30 H new ATOM 0 HH11 ARG A 58 12.420 -9.387 10.328 1.00 34.13 H new ATOM 0 HH12 ARG A 58 13.022 -9.831 8.728 1.00 34.13 H new ATOM 0 HH21 ARG A 58 11.688 -13.082 8.821 1.00 71.01 H new ATOM 0 HH22 ARG A 58 12.611 -11.902 7.885 1.00 71.01 H new ATOM 961 N SER A 59 6.896 -9.654 14.035 1.00 13.51 N ATOM 962 CA SER A 59 5.535 -9.924 13.537 1.00 40.20 C ATOM 963 C SER A 59 4.945 -8.678 12.840 1.00 2.21 C ATOM 964 O SER A 59 4.336 -8.788 11.769 1.00 61.30 O ATOM 965 CB SER A 59 4.630 -10.395 14.700 1.00 71.40 C ATOM 966 OG SER A 59 4.582 -9.434 15.743 1.00 24.51 O ATOM 0 H SER A 59 6.980 -9.725 15.049 1.00 13.51 H new ATOM 0 HA SER A 59 5.586 -10.721 12.795 1.00 40.20 H new ATOM 0 HB2 SER A 59 3.623 -10.579 14.327 1.00 71.40 H new ATOM 0 HB3 SER A 59 5.003 -11.341 15.092 1.00 71.40 H new ATOM 0 HG SER A 59 4.001 -9.760 16.462 1.00 24.51 H new ATOM 972 N ILE A 60 5.164 -7.494 13.461 1.00 61.10 N ATOM 973 CA ILE A 60 4.796 -6.182 12.885 1.00 23.32 C ATOM 974 C ILE A 60 5.520 -5.959 11.545 1.00 45.45 C ATOM 975 O ILE A 60 4.892 -5.580 10.561 1.00 52.22 O ATOM 976 CB ILE A 60 5.113 -5.008 13.894 1.00 42.10 C ATOM 977 CG1 ILE A 60 4.167 -5.091 15.135 1.00 32.11 C ATOM 978 CG2 ILE A 60 5.028 -3.611 13.222 1.00 12.31 C ATOM 979 CD1 ILE A 60 4.521 -4.145 16.269 1.00 32.43 C ATOM 0 H ILE A 60 5.603 -7.424 14.379 1.00 61.10 H new ATOM 0 HA ILE A 60 3.722 -6.183 12.701 1.00 23.32 H new ATOM 0 HB ILE A 60 6.144 -5.132 14.226 1.00 42.10 H new ATOM 0 HG12 ILE A 60 3.147 -4.883 14.812 1.00 32.11 H new ATOM 0 HG13 ILE A 60 4.178 -6.112 15.515 1.00 32.11 H new ATOM 0 HG21 ILE A 60 5.254 -2.839 13.958 1.00 12.31 H new ATOM 0 HG22 ILE A 60 5.748 -3.556 12.405 1.00 12.31 H new ATOM 0 HG23 ILE A 60 4.022 -3.456 12.831 1.00 12.31 H new ATOM 0 HD11 ILE A 60 3.810 -4.274 17.085 1.00 32.43 H new ATOM 0 HD12 ILE A 60 5.527 -4.365 16.626 1.00 32.43 H new ATOM 0 HD13 ILE A 60 4.480 -3.116 15.911 1.00 32.43 H new ATOM 991 N GLN A 61 6.832 -6.259 11.525 1.00 43.32 N ATOM 992 CA GLN A 61 7.691 -6.118 10.331 1.00 41.42 C ATOM 993 C GLN A 61 7.174 -6.997 9.165 1.00 4.11 C ATOM 994 O GLN A 61 7.200 -6.574 8.001 1.00 45.12 O ATOM 995 CB GLN A 61 9.149 -6.487 10.712 1.00 41.52 C ATOM 996 CG GLN A 61 10.178 -6.408 9.568 1.00 73.11 C ATOM 997 CD GLN A 61 11.600 -6.761 10.017 1.00 44.34 C ATOM 998 OE1 GLN A 61 11.807 -7.552 10.940 1.00 33.14 O ATOM 999 NE2 GLN A 61 12.590 -6.204 9.349 1.00 74.24 N ATOM 0 H GLN A 61 7.331 -6.609 12.343 1.00 43.32 H new ATOM 0 HA GLN A 61 7.663 -5.085 9.986 1.00 41.42 H new ATOM 0 HB2 GLN A 61 9.474 -5.825 11.515 1.00 41.52 H new ATOM 0 HB3 GLN A 61 9.155 -7.501 11.112 1.00 41.52 H new ATOM 0 HG2 GLN A 61 9.877 -7.085 8.768 1.00 73.11 H new ATOM 0 HG3 GLN A 61 10.174 -5.401 9.152 1.00 73.11 H new ATOM 0 HE21 GLN A 61 12.390 -5.553 8.590 1.00 74.24 H new ATOM 0 HE22 GLN A 61 13.556 -6.424 9.591 1.00 74.24 H new ATOM 1008 N ASP A 62 6.669 -8.203 9.505 1.00 53.33 N ATOM 1009 CA ASP A 62 6.114 -9.161 8.521 1.00 30.14 C ATOM 1010 C ASP A 62 4.773 -8.664 7.965 1.00 25.44 C ATOM 1011 O ASP A 62 4.490 -8.833 6.773 1.00 61.11 O ATOM 1012 CB ASP A 62 5.911 -10.568 9.150 1.00 41.34 C ATOM 1013 CG ASP A 62 7.209 -11.215 9.665 1.00 4.31 C ATOM 1014 OD1 ASP A 62 7.212 -11.759 10.793 1.00 52.42 O ATOM 1015 OD2 ASP A 62 8.227 -11.201 8.928 1.00 53.31 O ATOM 0 H ASP A 62 6.634 -8.540 10.467 1.00 53.33 H new ATOM 0 HA ASP A 62 6.838 -9.236 7.709 1.00 30.14 H new ATOM 0 HB2 ASP A 62 5.205 -10.487 9.976 1.00 41.34 H new ATOM 0 HB3 ASP A 62 5.459 -11.225 8.407 1.00 41.34 H new ATOM 1020 N MET A 63 3.940 -8.072 8.849 1.00 41.22 N ATOM 1021 CA MET A 63 2.602 -7.559 8.475 1.00 2.20 C ATOM 1022 C MET A 63 2.702 -6.293 7.605 1.00 13.25 C ATOM 1023 O MET A 63 1.964 -6.161 6.625 1.00 24.11 O ATOM 1024 CB MET A 63 1.720 -7.294 9.730 1.00 2.54 C ATOM 1025 CG MET A 63 1.364 -8.562 10.524 1.00 42.41 C ATOM 1026 SD MET A 63 0.242 -8.249 11.909 1.00 33.44 S ATOM 1027 CE MET A 63 1.186 -7.108 12.920 1.00 54.44 C ATOM 0 H MET A 63 4.172 -7.937 9.833 1.00 41.22 H new ATOM 0 HA MET A 63 2.119 -8.336 7.882 1.00 2.20 H new ATOM 0 HB2 MET A 63 2.243 -6.600 10.389 1.00 2.54 H new ATOM 0 HB3 MET A 63 0.798 -6.803 9.417 1.00 2.54 H new ATOM 0 HG2 MET A 63 0.906 -9.287 9.851 1.00 42.41 H new ATOM 0 HG3 MET A 63 2.281 -9.014 10.903 1.00 42.41 H new ATOM 0 HE1 MET A 63 0.637 -6.894 13.837 1.00 54.44 H new ATOM 0 HE2 MET A 63 2.149 -7.554 13.170 1.00 54.44 H new ATOM 0 HE3 MET A 63 1.347 -6.181 12.369 1.00 54.44 H new ATOM 1037 N VAL A 64 3.632 -5.381 7.964 1.00 45.41 N ATOM 1038 CA VAL A 64 3.853 -4.126 7.223 1.00 42.42 C ATOM 1039 C VAL A 64 4.440 -4.443 5.840 1.00 5.01 C ATOM 1040 O VAL A 64 3.834 -4.085 4.837 1.00 23.52 O ATOM 1041 CB VAL A 64 4.775 -3.105 8.003 1.00 2.11 C ATOM 1042 CG1 VAL A 64 5.032 -1.823 7.166 1.00 53.25 C ATOM 1043 CG2 VAL A 64 4.163 -2.741 9.378 1.00 54.01 C ATOM 0 H VAL A 64 4.245 -5.496 8.771 1.00 45.41 H new ATOM 0 HA VAL A 64 2.885 -3.637 7.110 1.00 42.42 H new ATOM 0 HB VAL A 64 5.734 -3.595 8.173 1.00 2.11 H new ATOM 0 HG11 VAL A 64 5.669 -1.142 7.730 1.00 53.25 H new ATOM 0 HG12 VAL A 64 5.525 -2.091 6.232 1.00 53.25 H new ATOM 0 HG13 VAL A 64 4.082 -1.335 6.947 1.00 53.25 H new ATOM 0 HG21 VAL A 64 4.817 -2.038 9.893 1.00 54.01 H new ATOM 0 HG22 VAL A 64 3.184 -2.285 9.231 1.00 54.01 H new ATOM 0 HG23 VAL A 64 4.056 -3.644 9.979 1.00 54.01 H new ATOM 1053 N ALA A 65 5.587 -5.178 5.800 1.00 45.01 N ATOM 1054 CA ALA A 65 6.236 -5.576 4.521 1.00 30.12 C ATOM 1055 C ALA A 65 5.316 -6.494 3.704 1.00 40.12 C ATOM 1056 O ALA A 65 5.396 -6.510 2.482 1.00 54.01 O ATOM 1057 CB ALA A 65 7.600 -6.261 4.743 1.00 5.24 C ATOM 0 H ALA A 65 6.077 -5.504 6.633 1.00 45.01 H new ATOM 0 HA ALA A 65 6.415 -4.657 3.962 1.00 30.12 H new ATOM 0 HB1 ALA A 65 8.032 -6.532 3.780 1.00 5.24 H new ATOM 0 HB2 ALA A 65 8.271 -5.576 5.262 1.00 5.24 H new ATOM 0 HB3 ALA A 65 7.462 -7.160 5.344 1.00 5.24 H new ATOM 1063 N GLY A 66 4.445 -7.251 4.405 1.00 41.42 N ATOM 1064 CA GLY A 66 3.445 -8.099 3.759 1.00 42.45 C ATOM 1065 C GLY A 66 2.381 -7.290 3.021 1.00 53.22 C ATOM 1066 O GLY A 66 1.966 -7.673 1.924 1.00 53.22 O ATOM 0 H GLY A 66 4.422 -7.285 5.424 1.00 41.42 H new ATOM 0 HA2 GLY A 66 3.941 -8.768 3.056 1.00 42.45 H new ATOM 0 HA3 GLY A 66 2.964 -8.725 4.510 1.00 42.45 H new ATOM 1070 N TYR A 67 1.933 -6.175 3.638 1.00 14.24 N ATOM 1071 CA TYR A 67 0.933 -5.261 3.041 1.00 54.41 C ATOM 1072 C TYR A 67 1.543 -4.454 1.901 1.00 62.05 C ATOM 1073 O TYR A 67 0.877 -4.238 0.878 1.00 60.21 O ATOM 1074 CB TYR A 67 0.326 -4.316 4.113 1.00 13.43 C ATOM 1075 CG TYR A 67 -0.617 -5.001 5.113 1.00 32.02 C ATOM 1076 CD1 TYR A 67 -1.049 -6.332 4.946 1.00 54.33 C ATOM 1077 CD2 TYR A 67 -1.097 -4.304 6.211 1.00 51.01 C ATOM 1078 CE1 TYR A 67 -1.909 -6.919 5.843 1.00 65.53 C ATOM 1079 CE2 TYR A 67 -1.954 -4.896 7.104 1.00 23.01 C ATOM 1080 CZ TYR A 67 -2.361 -6.199 6.918 1.00 5.33 C ATOM 1081 OH TYR A 67 -3.223 -6.788 7.818 1.00 61.33 O ATOM 0 H TYR A 67 2.253 -5.883 4.561 1.00 14.24 H new ATOM 0 HA TYR A 67 0.128 -5.873 2.635 1.00 54.41 H new ATOM 0 HB2 TYR A 67 1.139 -3.846 4.665 1.00 13.43 H new ATOM 0 HB3 TYR A 67 -0.219 -3.519 3.608 1.00 13.43 H new ATOM 0 HD1 TYR A 67 -0.698 -6.901 4.098 1.00 54.33 H new ATOM 0 HD2 TYR A 67 -0.792 -3.280 6.366 1.00 51.01 H new ATOM 0 HE1 TYR A 67 -2.227 -7.941 5.702 1.00 65.53 H new ATOM 0 HE2 TYR A 67 -2.311 -4.338 7.957 1.00 23.01 H new ATOM 0 HH TYR A 67 -3.449 -6.146 8.523 1.00 61.33 H new ATOM 1091 N ILE A 68 2.814 -4.032 2.093 1.00 3.21 N ATOM 1092 CA ILE A 68 3.600 -3.360 1.052 1.00 24.33 C ATOM 1093 C ILE A 68 3.684 -4.291 -0.168 1.00 14.42 C ATOM 1094 O ILE A 68 3.308 -3.905 -1.265 1.00 22.22 O ATOM 1095 CB ILE A 68 5.057 -2.978 1.534 1.00 23.33 C ATOM 1096 CG1 ILE A 68 5.013 -2.051 2.793 1.00 21.33 C ATOM 1097 CG2 ILE A 68 5.855 -2.302 0.388 1.00 41.31 C ATOM 1098 CD1 ILE A 68 6.365 -1.766 3.428 1.00 2.34 C ATOM 0 H ILE A 68 3.315 -4.151 2.973 1.00 3.21 H new ATOM 0 HA ILE A 68 3.099 -2.425 0.801 1.00 24.33 H new ATOM 0 HB ILE A 68 5.567 -3.900 1.813 1.00 23.33 H new ATOM 0 HG12 ILE A 68 4.553 -1.103 2.512 1.00 21.33 H new ATOM 0 HG13 ILE A 68 4.366 -2.510 3.541 1.00 21.33 H new ATOM 0 HG21 ILE A 68 6.854 -2.048 0.741 1.00 41.31 H new ATOM 0 HG22 ILE A 68 5.932 -2.988 -0.456 1.00 41.31 H new ATOM 0 HG23 ILE A 68 5.340 -1.395 0.072 1.00 41.31 H new ATOM 0 HD11 ILE A 68 6.231 -1.116 4.292 1.00 2.34 H new ATOM 0 HD12 ILE A 68 6.822 -2.703 3.746 1.00 2.34 H new ATOM 0 HD13 ILE A 68 7.012 -1.275 2.701 1.00 2.34 H new ATOM 1110 N LYS A 69 4.078 -5.559 0.094 1.00 53.23 N ATOM 1111 CA LYS A 69 4.245 -6.596 -0.937 1.00 64.51 C ATOM 1112 C LYS A 69 2.939 -6.807 -1.708 1.00 41.31 C ATOM 1113 O LYS A 69 2.940 -6.771 -2.938 1.00 42.01 O ATOM 1114 CB LYS A 69 4.692 -7.943 -0.305 1.00 24.42 C ATOM 1115 CG LYS A 69 4.974 -9.113 -1.297 1.00 13.14 C ATOM 1116 CD LYS A 69 6.298 -8.984 -2.118 1.00 73.14 C ATOM 1117 CE LYS A 69 6.240 -7.990 -3.300 1.00 21.22 C ATOM 1118 NZ LYS A 69 5.153 -8.317 -4.267 1.00 30.14 N ATOM 0 H LYS A 69 4.289 -5.888 1.036 1.00 53.23 H new ATOM 0 HA LYS A 69 5.018 -6.254 -1.625 1.00 64.51 H new ATOM 0 HB2 LYS A 69 5.595 -7.764 0.278 1.00 24.42 H new ATOM 0 HB3 LYS A 69 3.920 -8.266 0.394 1.00 24.42 H new ATOM 0 HG2 LYS A 69 5.003 -10.046 -0.734 1.00 13.14 H new ATOM 0 HG3 LYS A 69 4.139 -9.187 -1.994 1.00 13.14 H new ATOM 0 HD2 LYS A 69 7.097 -8.677 -1.444 1.00 73.14 H new ATOM 0 HD3 LYS A 69 6.566 -9.968 -2.503 1.00 73.14 H new ATOM 0 HE2 LYS A 69 6.089 -6.981 -2.915 1.00 21.22 H new ATOM 0 HE3 LYS A 69 7.198 -7.992 -3.820 1.00 21.22 H new ATOM 0 HZ1 LYS A 69 5.410 -7.963 -5.211 1.00 30.14 H new ATOM 0 HZ2 LYS A 69 5.023 -9.348 -4.308 1.00 30.14 H new ATOM 0 HZ3 LYS A 69 4.267 -7.868 -3.958 1.00 30.14 H new ATOM 1132 N GLN A 70 1.838 -6.971 -0.945 1.00 11.43 N ATOM 1133 CA GLN A 70 0.497 -7.250 -1.481 1.00 75.51 C ATOM 1134 C GLN A 70 0.055 -6.142 -2.446 1.00 54.12 C ATOM 1135 O GLN A 70 -0.429 -6.428 -3.546 1.00 14.42 O ATOM 1136 CB GLN A 70 -0.530 -7.390 -0.324 1.00 22.20 C ATOM 1137 CG GLN A 70 -1.934 -7.843 -0.781 1.00 52.22 C ATOM 1138 CD GLN A 70 -2.968 -7.881 0.343 1.00 53.23 C ATOM 1139 OE1 GLN A 70 -2.929 -7.078 1.270 1.00 43.25 O ATOM 1140 NE2 GLN A 70 -3.885 -8.838 0.286 1.00 51.43 N ATOM 0 H GLN A 70 1.860 -6.912 0.073 1.00 11.43 H new ATOM 0 HA GLN A 70 0.540 -8.190 -2.031 1.00 75.51 H new ATOM 0 HB2 GLN A 70 -0.147 -8.106 0.403 1.00 22.20 H new ATOM 0 HB3 GLN A 70 -0.618 -6.432 0.188 1.00 22.20 H new ATOM 0 HG2 GLN A 70 -2.286 -7.170 -1.563 1.00 52.22 H new ATOM 0 HG3 GLN A 70 -1.858 -8.835 -1.226 1.00 52.22 H new ATOM 0 HE21 GLN A 70 -3.892 -9.491 -0.497 1.00 51.43 H new ATOM 0 HE22 GLN A 70 -4.583 -8.921 1.026 1.00 51.43 H new ATOM 1149 N THR A 71 0.276 -4.872 -2.041 1.00 11.33 N ATOM 1150 CA THR A 71 -0.135 -3.721 -2.842 1.00 73.31 C ATOM 1151 C THR A 71 0.837 -3.510 -4.011 1.00 2.14 C ATOM 1152 O THR A 71 0.448 -2.923 -4.995 1.00 65.00 O ATOM 1153 CB THR A 71 -0.337 -2.415 -1.991 1.00 63.23 C ATOM 1154 OG1 THR A 71 -0.870 -1.356 -2.806 1.00 1.31 O ATOM 1155 CG2 THR A 71 0.926 -1.907 -1.292 1.00 65.21 C ATOM 0 H THR A 71 0.737 -4.629 -1.164 1.00 11.33 H new ATOM 0 HA THR A 71 -1.119 -3.947 -3.253 1.00 73.31 H new ATOM 0 HB THR A 71 -1.039 -2.700 -1.207 1.00 63.23 H new ATOM 0 HG1 THR A 71 -1.828 -1.505 -2.951 1.00 1.31 H new ATOM 0 HG21 THR A 71 0.692 -1.003 -0.729 1.00 65.21 H new ATOM 0 HG22 THR A 71 1.298 -2.673 -0.611 1.00 65.21 H new ATOM 0 HG23 THR A 71 1.689 -1.683 -2.037 1.00 65.21 H new ATOM 1163 N LEU A 72 2.093 -4.023 -3.902 1.00 70.24 N ATOM 1164 CA LEU A 72 3.068 -4.000 -5.029 1.00 65.24 C ATOM 1165 C LEU A 72 2.668 -5.007 -6.116 1.00 13.14 C ATOM 1166 O LEU A 72 2.930 -4.777 -7.306 1.00 62.12 O ATOM 1167 CB LEU A 72 4.526 -4.291 -4.559 1.00 75.50 C ATOM 1168 CG LEU A 72 5.163 -3.255 -3.589 1.00 51.42 C ATOM 1169 CD1 LEU A 72 6.666 -3.524 -3.352 1.00 23.03 C ATOM 1170 CD2 LEU A 72 4.888 -1.819 -4.065 1.00 13.54 C ATOM 0 H LEU A 72 2.453 -4.455 -3.051 1.00 70.24 H new ATOM 0 HA LEU A 72 3.044 -2.991 -5.440 1.00 65.24 H new ATOM 0 HB2 LEU A 72 4.539 -5.266 -4.073 1.00 75.50 H new ATOM 0 HB3 LEU A 72 5.160 -4.366 -5.442 1.00 75.50 H new ATOM 0 HG LEU A 72 4.684 -3.372 -2.617 1.00 51.42 H new ATOM 0 HD11 LEU A 72 7.066 -2.775 -2.669 1.00 23.03 H new ATOM 0 HD12 LEU A 72 6.794 -4.516 -2.919 1.00 23.03 H new ATOM 0 HD13 LEU A 72 7.199 -3.471 -4.301 1.00 23.03 H new ATOM 0 HD21 LEU A 72 5.343 -1.112 -3.371 1.00 13.54 H new ATOM 0 HD22 LEU A 72 5.314 -1.677 -5.058 1.00 13.54 H new ATOM 0 HD23 LEU A 72 3.812 -1.648 -4.103 1.00 13.54 H new ATOM 1182 N ASP A 73 2.058 -6.135 -5.689 1.00 23.05 N ATOM 1183 CA ASP A 73 1.461 -7.119 -6.615 1.00 1.44 C ATOM 1184 C ASP A 73 0.298 -6.447 -7.358 1.00 21.42 C ATOM 1185 O ASP A 73 0.245 -6.457 -8.589 1.00 61.31 O ATOM 1186 CB ASP A 73 0.963 -8.398 -5.870 1.00 43.22 C ATOM 1187 CG ASP A 73 2.101 -9.200 -5.205 1.00 12.44 C ATOM 1188 OD1 ASP A 73 2.196 -9.234 -3.962 1.00 45.32 O ATOM 1189 OD2 ASP A 73 2.933 -9.788 -5.930 1.00 42.42 O ATOM 0 H ASP A 73 1.967 -6.386 -4.705 1.00 23.05 H new ATOM 0 HA ASP A 73 2.226 -7.443 -7.320 1.00 1.44 H new ATOM 0 HB2 ASP A 73 0.240 -8.108 -5.108 1.00 43.22 H new ATOM 0 HB3 ASP A 73 0.440 -9.041 -6.577 1.00 43.22 H new ATOM 1194 N ASN A 74 -0.589 -5.802 -6.568 1.00 43.04 N ATOM 1195 CA ASN A 74 -1.780 -5.088 -7.075 1.00 22.34 C ATOM 1196 C ASN A 74 -1.387 -3.912 -8.000 1.00 42.23 C ATOM 1197 O ASN A 74 -2.054 -3.676 -9.009 1.00 4.22 O ATOM 1198 CB ASN A 74 -2.660 -4.582 -5.895 1.00 61.45 C ATOM 1199 CG ASN A 74 -3.126 -5.696 -4.946 1.00 44.21 C ATOM 1200 OD1 ASN A 74 -3.297 -6.850 -5.340 1.00 4.21 O ATOM 1201 ND2 ASN A 74 -3.338 -5.358 -3.684 1.00 71.30 N ATOM 0 H ASN A 74 -0.497 -5.763 -5.553 1.00 43.04 H new ATOM 0 HA ASN A 74 -2.361 -5.796 -7.666 1.00 22.34 H new ATOM 0 HB2 ASN A 74 -2.096 -3.844 -5.324 1.00 61.45 H new ATOM 0 HB3 ASN A 74 -3.535 -4.072 -6.299 1.00 61.45 H new ATOM 0 HD21 ASN A 74 -3.650 -6.060 -3.013 1.00 71.30 H new ATOM 0 HD22 ASN A 74 -3.189 -4.395 -3.382 1.00 71.30 H new ATOM 1208 N GLU A 75 -0.275 -3.211 -7.661 1.00 31.42 N ATOM 1209 CA GLU A 75 0.247 -2.078 -8.459 1.00 54.35 C ATOM 1210 C GLU A 75 0.745 -2.573 -9.822 1.00 44.35 C ATOM 1211 O GLU A 75 0.335 -2.050 -10.852 1.00 11.25 O ATOM 1212 CB GLU A 75 1.393 -1.313 -7.715 1.00 11.33 C ATOM 1213 CG GLU A 75 0.933 -0.383 -6.568 1.00 50.04 C ATOM 1214 CD GLU A 75 0.072 0.797 -7.046 1.00 13.11 C ATOM 1215 OE1 GLU A 75 0.640 1.854 -7.400 1.00 34.40 O ATOM 1216 OE2 GLU A 75 -1.177 0.675 -7.096 1.00 42.03 O ATOM 0 H GLU A 75 0.281 -3.416 -6.831 1.00 31.42 H new ATOM 0 HA GLU A 75 -0.576 -1.378 -8.605 1.00 54.35 H new ATOM 0 HB2 GLU A 75 2.091 -2.045 -7.309 1.00 11.33 H new ATOM 0 HB3 GLU A 75 1.943 -0.718 -8.444 1.00 11.33 H new ATOM 0 HG2 GLU A 75 0.366 -0.966 -5.843 1.00 50.04 H new ATOM 0 HG3 GLU A 75 1.811 0.004 -6.050 1.00 50.04 H new ATOM 1223 N GLN A 76 1.609 -3.606 -9.806 1.00 4.31 N ATOM 1224 CA GLN A 76 2.208 -4.156 -11.037 1.00 24.20 C ATOM 1225 C GLN A 76 1.112 -4.632 -12.015 1.00 4.25 C ATOM 1226 O GLN A 76 1.118 -4.254 -13.195 1.00 72.21 O ATOM 1227 CB GLN A 76 3.173 -5.326 -10.711 1.00 64.55 C ATOM 1228 CG GLN A 76 3.806 -5.987 -11.960 1.00 60.43 C ATOM 1229 CD GLN A 76 4.743 -7.164 -11.678 1.00 74.21 C ATOM 1230 OE1 GLN A 76 5.697 -7.402 -12.423 1.00 11.02 O ATOM 1231 NE2 GLN A 76 4.474 -7.929 -10.633 1.00 75.30 N ATOM 0 H GLN A 76 1.908 -4.077 -8.952 1.00 4.31 H new ATOM 0 HA GLN A 76 2.779 -3.358 -11.512 1.00 24.20 H new ATOM 0 HB2 GLN A 76 3.970 -4.957 -10.065 1.00 64.55 H new ATOM 0 HB3 GLN A 76 2.630 -6.085 -10.147 1.00 64.55 H new ATOM 0 HG2 GLN A 76 3.004 -6.332 -12.613 1.00 60.43 H new ATOM 0 HG3 GLN A 76 4.361 -5.227 -12.510 1.00 60.43 H new ATOM 0 HE21 GLN A 76 3.679 -7.711 -10.032 1.00 75.30 H new ATOM 0 HE22 GLN A 76 5.061 -8.737 -10.428 1.00 75.30 H new ATOM 1240 N LEU A 77 0.155 -5.419 -11.480 1.00 73.52 N ATOM 1241 CA LEU A 77 -0.932 -6.020 -12.269 1.00 71.33 C ATOM 1242 C LEU A 77 -1.839 -4.936 -12.875 1.00 33.04 C ATOM 1243 O LEU A 77 -1.979 -4.865 -14.095 1.00 31.44 O ATOM 1244 CB LEU A 77 -1.752 -7.005 -11.391 1.00 42.13 C ATOM 1245 CG LEU A 77 -0.965 -8.244 -10.854 1.00 62.54 C ATOM 1246 CD1 LEU A 77 -1.833 -9.096 -9.907 1.00 43.00 C ATOM 1247 CD2 LEU A 77 -0.385 -9.087 -12.010 1.00 71.44 C ATOM 0 H LEU A 77 0.117 -5.654 -10.488 1.00 73.52 H new ATOM 0 HA LEU A 77 -0.490 -6.579 -13.094 1.00 71.33 H new ATOM 0 HB2 LEU A 77 -2.155 -6.456 -10.540 1.00 42.13 H new ATOM 0 HB3 LEU A 77 -2.602 -7.361 -11.973 1.00 42.13 H new ATOM 0 HG LEU A 77 -0.123 -7.871 -10.271 1.00 62.54 H new ATOM 0 HD11 LEU A 77 -1.255 -9.949 -9.552 1.00 43.00 H new ATOM 0 HD12 LEU A 77 -2.145 -8.490 -9.056 1.00 43.00 H new ATOM 0 HD13 LEU A 77 -2.714 -9.452 -10.442 1.00 43.00 H new ATOM 0 HD21 LEU A 77 0.156 -9.941 -11.602 1.00 71.44 H new ATOM 0 HD22 LEU A 77 -1.197 -9.442 -12.645 1.00 71.44 H new ATOM 0 HD23 LEU A 77 0.296 -8.475 -12.601 1.00 71.44 H new ATOM 1259 N LEU A 78 -2.410 -4.074 -12.007 1.00 73.41 N ATOM 1260 CA LEU A 78 -3.333 -2.996 -12.431 1.00 41.22 C ATOM 1261 C LEU A 78 -2.640 -1.979 -13.329 1.00 61.23 C ATOM 1262 O LEU A 78 -2.954 -1.903 -14.515 1.00 51.13 O ATOM 1263 CB LEU A 78 -3.953 -2.284 -11.204 1.00 62.22 C ATOM 1264 CG LEU A 78 -4.964 -3.132 -10.409 1.00 0.10 C ATOM 1265 CD1 LEU A 78 -5.439 -2.390 -9.155 1.00 32.01 C ATOM 1266 CD2 LEU A 78 -6.143 -3.543 -11.314 1.00 22.31 C ATOM 0 H LEU A 78 -2.247 -4.104 -11.001 1.00 73.41 H new ATOM 0 HA LEU A 78 -4.130 -3.466 -13.007 1.00 41.22 H new ATOM 0 HB2 LEU A 78 -3.149 -1.979 -10.534 1.00 62.22 H new ATOM 0 HB3 LEU A 78 -4.449 -1.374 -11.542 1.00 62.22 H new ATOM 0 HG LEU A 78 -4.468 -4.042 -10.072 1.00 0.10 H new ATOM 0 HD11 LEU A 78 -6.152 -3.011 -8.613 1.00 32.01 H new ATOM 0 HD12 LEU A 78 -4.584 -2.175 -8.514 1.00 32.01 H new ATOM 0 HD13 LEU A 78 -5.919 -1.456 -9.445 1.00 32.01 H new ATOM 0 HD21 LEU A 78 -6.850 -4.142 -10.740 1.00 22.31 H new ATOM 0 HD22 LEU A 78 -6.643 -2.650 -11.688 1.00 22.31 H new ATOM 0 HD23 LEU A 78 -5.770 -4.128 -12.154 1.00 22.31 H new ATOM 1278 N LYS A 79 -1.674 -1.238 -12.752 1.00 1.35 N ATOM 1279 CA LYS A 79 -0.995 -0.121 -13.435 1.00 64.23 C ATOM 1280 C LYS A 79 -0.289 -0.606 -14.713 1.00 70.45 C ATOM 1281 O LYS A 79 -0.265 0.119 -15.705 1.00 32.25 O ATOM 1282 CB LYS A 79 0.006 0.580 -12.471 1.00 71.22 C ATOM 1283 CG LYS A 79 -0.616 1.042 -11.127 1.00 31.04 C ATOM 1284 CD LYS A 79 -1.743 2.089 -11.301 1.00 44.04 C ATOM 1285 CE LYS A 79 -2.451 2.441 -9.979 1.00 41.53 C ATOM 1286 NZ LYS A 79 -1.500 2.902 -8.945 1.00 12.33 N ATOM 0 H LYS A 79 -1.343 -1.397 -11.800 1.00 1.35 H new ATOM 0 HA LYS A 79 -1.748 0.609 -13.731 1.00 64.23 H new ATOM 0 HB2 LYS A 79 0.829 -0.104 -12.261 1.00 71.22 H new ATOM 0 HB3 LYS A 79 0.433 1.446 -12.977 1.00 71.22 H new ATOM 0 HG2 LYS A 79 -1.014 0.174 -10.602 1.00 31.04 H new ATOM 0 HG3 LYS A 79 0.168 1.464 -10.498 1.00 31.04 H new ATOM 0 HD2 LYS A 79 -1.323 2.997 -11.734 1.00 44.04 H new ATOM 0 HD3 LYS A 79 -2.478 1.708 -12.010 1.00 44.04 H new ATOM 0 HE2 LYS A 79 -3.193 3.219 -10.161 1.00 41.53 H new ATOM 0 HE3 LYS A 79 -2.989 1.567 -9.612 1.00 41.53 H new ATOM 0 HZ1 LYS A 79 -1.474 2.214 -8.166 1.00 12.33 H new ATOM 0 HZ2 LYS A 79 -0.551 2.990 -9.361 1.00 12.33 H new ATOM 0 HZ3 LYS A 79 -1.805 3.827 -8.580 1.00 12.33 H new ATOM 1300 N GLY A 80 0.256 -1.846 -14.679 1.00 64.31 N ATOM 1301 CA GLY A 80 0.865 -2.472 -15.861 1.00 42.24 C ATOM 1302 C GLY A 80 -0.150 -2.785 -16.962 1.00 23.25 C ATOM 1303 O GLY A 80 0.137 -2.596 -18.152 1.00 71.41 O ATOM 0 H GLY A 80 0.283 -2.427 -13.841 1.00 64.31 H new ATOM 0 HA2 GLY A 80 1.633 -1.810 -16.260 1.00 42.24 H new ATOM 0 HA3 GLY A 80 1.363 -3.394 -15.561 1.00 42.24 H new ATOM 1307 N LEU A 81 -1.340 -3.266 -16.553 1.00 12.12 N ATOM 1308 CA LEU A 81 -2.464 -3.565 -17.477 1.00 73.44 C ATOM 1309 C LEU A 81 -2.982 -2.256 -18.108 1.00 74.21 C ATOM 1310 O LEU A 81 -3.325 -2.222 -19.292 1.00 73.24 O ATOM 1311 CB LEU A 81 -3.592 -4.318 -16.694 1.00 54.23 C ATOM 1312 CG LEU A 81 -4.756 -5.009 -17.514 1.00 1.11 C ATOM 1313 CD1 LEU A 81 -5.379 -6.180 -16.711 1.00 3.13 C ATOM 1314 CD2 LEU A 81 -5.867 -4.008 -17.937 1.00 75.24 C ATOM 0 H LEU A 81 -1.554 -3.460 -15.575 1.00 12.12 H new ATOM 0 HA LEU A 81 -2.124 -4.211 -18.287 1.00 73.44 H new ATOM 0 HB2 LEU A 81 -3.115 -5.086 -16.086 1.00 54.23 H new ATOM 0 HB3 LEU A 81 -4.049 -3.606 -16.007 1.00 54.23 H new ATOM 0 HG LEU A 81 -4.301 -5.397 -18.425 1.00 1.11 H new ATOM 0 HD11 LEU A 81 -6.176 -6.639 -17.296 1.00 3.13 H new ATOM 0 HD12 LEU A 81 -4.611 -6.924 -16.498 1.00 3.13 H new ATOM 0 HD13 LEU A 81 -5.788 -5.802 -15.774 1.00 3.13 H new ATOM 0 HD21 LEU A 81 -6.639 -4.536 -18.496 1.00 75.24 H new ATOM 0 HD22 LEU A 81 -6.307 -3.556 -17.048 1.00 75.24 H new ATOM 0 HD23 LEU A 81 -5.435 -3.228 -18.564 1.00 75.24 H new ATOM 1326 N LEU A 82 -2.987 -1.184 -17.297 1.00 35.22 N ATOM 1327 CA LEU A 82 -3.530 0.132 -17.676 1.00 40.42 C ATOM 1328 C LEU A 82 -2.552 0.901 -18.587 1.00 62.43 C ATOM 1329 O LEU A 82 -2.979 1.578 -19.530 1.00 73.31 O ATOM 1330 CB LEU A 82 -3.854 0.932 -16.384 1.00 62.52 C ATOM 1331 CG LEU A 82 -4.983 0.328 -15.480 1.00 52.24 C ATOM 1332 CD1 LEU A 82 -5.105 1.076 -14.132 1.00 61.35 C ATOM 1333 CD2 LEU A 82 -6.332 0.292 -16.225 1.00 51.44 C ATOM 0 H LEU A 82 -2.610 -1.207 -16.350 1.00 35.22 H new ATOM 0 HA LEU A 82 -4.446 -0.007 -18.250 1.00 40.42 H new ATOM 0 HB2 LEU A 82 -2.943 1.014 -15.791 1.00 62.52 H new ATOM 0 HB3 LEU A 82 -4.142 1.944 -16.667 1.00 62.52 H new ATOM 0 HG LEU A 82 -4.699 -0.699 -15.251 1.00 52.24 H new ATOM 0 HD11 LEU A 82 -5.899 0.625 -13.536 1.00 61.35 H new ATOM 0 HD12 LEU A 82 -4.161 1.007 -13.591 1.00 61.35 H new ATOM 0 HD13 LEU A 82 -5.341 2.124 -14.317 1.00 61.35 H new ATOM 0 HD21 LEU A 82 -7.096 -0.132 -15.573 1.00 51.44 H new ATOM 0 HD22 LEU A 82 -6.618 1.305 -16.509 1.00 51.44 H new ATOM 0 HD23 LEU A 82 -6.237 -0.323 -17.120 1.00 51.44 H new ATOM 1490 N LEU A 92 0.817 11.576 -9.119 1.00 63.44 N ATOM 1491 CA LEU A 92 1.012 12.020 -7.736 1.00 31.32 C ATOM 1492 C LEU A 92 2.140 13.061 -7.656 1.00 5.42 C ATOM 1493 O LEU A 92 1.880 14.260 -7.528 1.00 34.22 O ATOM 1494 CB LEU A 92 1.305 10.776 -6.859 1.00 41.43 C ATOM 1495 CG LEU A 92 0.147 9.741 -6.782 1.00 44.14 C ATOM 1496 CD1 LEU A 92 0.555 8.450 -6.044 1.00 51.30 C ATOM 1497 CD2 LEU A 92 -1.074 10.380 -6.129 1.00 11.24 C ATOM 0 HA LEU A 92 0.111 12.508 -7.364 1.00 31.32 H new ATOM 0 HB2 LEU A 92 2.193 10.277 -7.247 1.00 41.43 H new ATOM 0 HB3 LEU A 92 1.542 11.110 -5.849 1.00 41.43 H new ATOM 0 HG LEU A 92 -0.101 9.447 -7.802 1.00 44.14 H new ATOM 0 HD11 LEU A 92 -0.290 7.762 -6.019 1.00 51.30 H new ATOM 0 HD12 LEU A 92 1.389 7.981 -6.566 1.00 51.30 H new ATOM 0 HD13 LEU A 92 0.855 8.693 -5.025 1.00 51.30 H new ATOM 0 HD21 LEU A 92 -1.882 9.651 -6.077 1.00 11.24 H new ATOM 0 HD22 LEU A 92 -0.818 10.709 -5.122 1.00 11.24 H new ATOM 0 HD23 LEU A 92 -1.396 11.237 -6.720 1.00 11.24 H new ATOM 1509 N ILE A 93 3.395 12.580 -7.761 1.00 32.10 N ATOM 1510 CA ILE A 93 4.586 13.432 -7.864 1.00 45.01 C ATOM 1511 C ILE A 93 5.344 13.020 -9.147 1.00 55.24 C ATOM 1512 O ILE A 93 6.399 12.382 -9.078 1.00 25.03 O ATOM 1513 CB ILE A 93 5.507 13.349 -6.569 1.00 71.24 C ATOM 1514 CG1 ILE A 93 4.692 13.698 -5.285 1.00 23.31 C ATOM 1515 CG2 ILE A 93 6.749 14.276 -6.690 1.00 65.21 C ATOM 1516 CD1 ILE A 93 5.505 13.710 -3.999 1.00 62.03 C ATOM 0 H ILE A 93 3.607 11.582 -7.776 1.00 32.10 H new ATOM 0 HA ILE A 93 4.286 14.478 -7.927 1.00 45.01 H new ATOM 0 HB ILE A 93 5.863 12.322 -6.488 1.00 71.24 H new ATOM 0 HG12 ILE A 93 4.233 14.678 -5.418 1.00 23.31 H new ATOM 0 HG13 ILE A 93 3.881 12.978 -5.179 1.00 23.31 H new ATOM 0 HG21 ILE A 93 7.354 14.193 -5.787 1.00 65.21 H new ATOM 0 HG22 ILE A 93 7.343 13.978 -7.554 1.00 65.21 H new ATOM 0 HG23 ILE A 93 6.422 15.308 -6.814 1.00 65.21 H new ATOM 0 HD11 ILE A 93 4.856 13.962 -3.160 1.00 62.03 H new ATOM 0 HD12 ILE A 93 5.942 12.725 -3.836 1.00 62.03 H new ATOM 0 HD13 ILE A 93 6.300 14.451 -4.078 1.00 62.03 H new ATOM 1528 N GLY A 94 4.669 13.279 -10.303 1.00 13.03 N ATOM 1529 CA GLY A 94 5.228 13.134 -11.662 1.00 65.24 C ATOM 1530 C GLY A 94 5.947 11.813 -11.931 1.00 35.11 C ATOM 1531 O GLY A 94 5.338 10.838 -12.404 1.00 12.34 O ATOM 0 H GLY A 94 3.701 13.601 -10.306 1.00 13.03 H new ATOM 0 HA2 GLY A 94 4.419 13.243 -12.384 1.00 65.24 H new ATOM 0 HA3 GLY A 94 5.926 13.952 -11.840 1.00 65.24 H new ATOM 1535 N GLN A 95 7.253 11.800 -11.603 1.00 3.24 N ATOM 1536 CA GLN A 95 8.141 10.629 -11.746 1.00 21.31 C ATOM 1537 C GLN A 95 7.733 9.491 -10.788 1.00 4.13 C ATOM 1538 O GLN A 95 6.711 9.572 -10.090 1.00 31.41 O ATOM 1539 CB GLN A 95 9.640 11.039 -11.527 1.00 31.31 C ATOM 1540 CG GLN A 95 10.040 11.527 -10.101 1.00 5.34 C ATOM 1541 CD GLN A 95 9.537 12.933 -9.743 1.00 74.10 C ATOM 1542 OE1 GLN A 95 9.341 13.790 -10.610 1.00 41.44 O ATOM 1543 NE2 GLN A 95 9.367 13.201 -8.461 1.00 53.32 N ATOM 0 H GLN A 95 7.730 12.618 -11.224 1.00 3.24 H new ATOM 0 HA GLN A 95 8.035 10.253 -12.764 1.00 21.31 H new ATOM 0 HB2 GLN A 95 10.266 10.183 -11.780 1.00 31.31 H new ATOM 0 HB3 GLN A 95 9.882 11.831 -12.236 1.00 31.31 H new ATOM 0 HG2 GLN A 95 9.654 10.819 -9.367 1.00 5.34 H new ATOM 0 HG3 GLN A 95 11.127 11.512 -10.017 1.00 5.34 H new ATOM 0 HE21 GLN A 95 9.535 12.477 -7.762 1.00 53.32 H new ATOM 0 HE22 GLN A 95 9.068 14.132 -8.170 1.00 53.32 H new ATOM 1552 N SER A 96 8.553 8.434 -10.740 1.00 3.13 N ATOM 1553 CA SER A 96 8.244 7.202 -9.998 1.00 3.51 C ATOM 1554 C SER A 96 8.527 7.314 -8.483 1.00 33.32 C ATOM 1555 O SER A 96 8.955 6.337 -7.875 1.00 60.31 O ATOM 1556 CB SER A 96 9.030 6.029 -10.635 1.00 4.21 C ATOM 1557 OG SER A 96 8.711 5.891 -12.013 1.00 20.30 O ATOM 0 H SER A 96 9.454 8.408 -11.217 1.00 3.13 H new ATOM 0 HA SER A 96 7.172 7.020 -10.075 1.00 3.51 H new ATOM 0 HB2 SER A 96 10.101 6.200 -10.521 1.00 4.21 H new ATOM 0 HB3 SER A 96 8.797 5.103 -10.110 1.00 4.21 H new ATOM 0 HG SER A 96 9.221 5.145 -12.394 1.00 20.30 H new ATOM 1563 N THR A 97 8.226 8.497 -7.885 1.00 52.20 N ATOM 1564 CA THR A 97 8.293 8.727 -6.425 1.00 32.01 C ATOM 1565 C THR A 97 7.553 7.614 -5.661 1.00 12.33 C ATOM 1566 O THR A 97 8.161 6.861 -4.913 1.00 54.22 O ATOM 1567 CB THR A 97 7.656 10.113 -6.067 1.00 22.23 C ATOM 1568 OG1 THR A 97 8.287 11.134 -6.847 1.00 21.03 O ATOM 1569 CG2 THR A 97 7.783 10.446 -4.566 1.00 64.42 C ATOM 0 H THR A 97 7.929 9.320 -8.409 1.00 52.20 H new ATOM 0 HA THR A 97 9.342 8.720 -6.130 1.00 32.01 H new ATOM 0 HB THR A 97 6.591 10.062 -6.296 1.00 22.23 H new ATOM 0 HG1 THR A 97 7.655 11.474 -7.514 1.00 21.03 H new ATOM 0 HG21 THR A 97 7.327 11.416 -4.369 1.00 64.42 H new ATOM 0 HG22 THR A 97 7.276 9.680 -3.979 1.00 64.42 H new ATOM 0 HG23 THR A 97 8.837 10.477 -4.288 1.00 64.42 H new ATOM 1577 N ARG A 98 6.245 7.523 -5.947 1.00 73.21 N ATOM 1578 CA ARG A 98 5.303 6.530 -5.392 1.00 74.42 C ATOM 1579 C ARG A 98 5.838 5.074 -5.440 1.00 32.20 C ATOM 1580 O ARG A 98 5.932 4.409 -4.398 1.00 62.52 O ATOM 1581 CB ARG A 98 3.928 6.632 -6.150 1.00 24.34 C ATOM 1582 CG ARG A 98 4.021 6.933 -7.689 1.00 4.12 C ATOM 1583 CD ARG A 98 3.928 8.444 -8.019 1.00 30.15 C ATOM 1584 NE ARG A 98 4.002 8.753 -9.465 1.00 3.44 N ATOM 1585 CZ ARG A 98 2.950 8.894 -10.293 1.00 34.14 C ATOM 1586 NH1 ARG A 98 1.710 8.750 -9.852 1.00 4.44 N ATOM 1587 NH2 ARG A 98 3.159 9.196 -11.567 1.00 52.15 N ATOM 0 H ARG A 98 5.793 8.165 -6.598 1.00 73.21 H new ATOM 0 HA ARG A 98 5.174 6.769 -4.336 1.00 74.42 H new ATOM 0 HB2 ARG A 98 3.388 5.695 -6.013 1.00 24.34 H new ATOM 0 HB3 ARG A 98 3.332 7.415 -5.680 1.00 24.34 H new ATOM 0 HG2 ARG A 98 4.962 6.540 -8.074 1.00 4.12 H new ATOM 0 HG3 ARG A 98 3.220 6.404 -8.206 1.00 4.12 H new ATOM 0 HD2 ARG A 98 2.991 8.834 -7.623 1.00 30.15 H new ATOM 0 HD3 ARG A 98 4.734 8.967 -7.505 1.00 30.15 H new ATOM 0 HE ARG A 98 4.931 8.869 -9.869 1.00 3.44 H new ATOM 0 HH11 ARG A 98 1.540 8.529 -8.871 1.00 4.44 H new ATOM 0 HH12 ARG A 98 0.925 8.860 -10.493 1.00 4.44 H new ATOM 0 HH21 ARG A 98 4.111 9.319 -11.912 1.00 52.15 H new ATOM 0 HH22 ARG A 98 2.368 9.305 -12.202 1.00 52.15 H new ATOM 1601 N GLN A 99 6.210 4.600 -6.648 1.00 24.14 N ATOM 1602 CA GLN A 99 6.645 3.200 -6.866 1.00 74.52 C ATOM 1603 C GLN A 99 7.973 2.913 -6.139 1.00 24.44 C ATOM 1604 O GLN A 99 8.130 1.877 -5.474 1.00 12.12 O ATOM 1605 CB GLN A 99 6.778 2.921 -8.384 1.00 64.42 C ATOM 1606 CG GLN A 99 5.471 3.122 -9.185 1.00 22.32 C ATOM 1607 CD GLN A 99 4.334 2.183 -8.759 1.00 22.54 C ATOM 1608 OE1 GLN A 99 4.201 1.071 -9.274 1.00 61.50 O ATOM 1609 NE2 GLN A 99 3.489 2.633 -7.842 1.00 42.21 N ATOM 0 H GLN A 99 6.218 5.170 -7.494 1.00 24.14 H new ATOM 0 HA GLN A 99 5.890 2.533 -6.449 1.00 74.52 H new ATOM 0 HB2 GLN A 99 7.547 3.575 -8.796 1.00 64.42 H new ATOM 0 HB3 GLN A 99 7.122 1.896 -8.524 1.00 64.42 H new ATOM 0 HG2 GLN A 99 5.140 4.154 -9.070 1.00 22.32 H new ATOM 0 HG3 GLN A 99 5.678 2.970 -10.244 1.00 22.32 H new ATOM 0 HE21 GLN A 99 3.625 3.558 -7.433 1.00 42.21 H new ATOM 0 HE22 GLN A 99 2.703 2.054 -7.545 1.00 42.21 H new ATOM 1618 N LYS A 100 8.907 3.881 -6.258 1.00 14.31 N ATOM 1619 CA LYS A 100 10.233 3.833 -5.624 1.00 2.42 C ATOM 1620 C LYS A 100 10.102 3.829 -4.099 1.00 24.02 C ATOM 1621 O LYS A 100 10.852 3.133 -3.440 1.00 62.23 O ATOM 1622 CB LYS A 100 11.122 5.030 -6.121 1.00 23.41 C ATOM 1623 CG LYS A 100 12.552 5.150 -5.490 1.00 74.02 C ATOM 1624 CD LYS A 100 12.592 5.993 -4.180 1.00 62.35 C ATOM 1625 CE LYS A 100 13.932 5.882 -3.438 1.00 60.12 C ATOM 1626 NZ LYS A 100 13.908 6.606 -2.139 1.00 45.44 N ATOM 0 H LYS A 100 8.754 4.728 -6.806 1.00 14.31 H new ATOM 0 HA LYS A 100 10.727 2.906 -5.916 1.00 2.42 H new ATOM 0 HB2 LYS A 100 11.232 4.947 -7.202 1.00 23.41 H new ATOM 0 HB3 LYS A 100 10.584 5.958 -5.926 1.00 23.41 H new ATOM 0 HG2 LYS A 100 12.931 4.150 -5.279 1.00 74.02 H new ATOM 0 HG3 LYS A 100 13.225 5.599 -6.221 1.00 74.02 H new ATOM 0 HD2 LYS A 100 12.402 7.039 -4.421 1.00 62.35 H new ATOM 0 HD3 LYS A 100 11.789 5.667 -3.519 1.00 62.35 H new ATOM 0 HE2 LYS A 100 14.165 4.831 -3.264 1.00 60.12 H new ATOM 0 HE3 LYS A 100 14.728 6.285 -4.064 1.00 60.12 H new ATOM 0 HZ1 LYS A 100 14.831 6.507 -1.669 1.00 45.44 H new ATOM 0 HZ2 LYS A 100 13.711 7.613 -2.307 1.00 45.44 H new ATOM 0 HZ3 LYS A 100 13.165 6.205 -1.532 1.00 45.44 H new ATOM 1640 N SER A 101 9.134 4.600 -3.560 1.00 64.43 N ATOM 1641 CA SER A 101 8.989 4.813 -2.104 1.00 3.12 C ATOM 1642 C SER A 101 8.322 3.620 -1.411 1.00 23.32 C ATOM 1643 O SER A 101 8.626 3.344 -0.249 1.00 31.42 O ATOM 1644 CB SER A 101 8.210 6.115 -1.827 1.00 74.11 C ATOM 1645 OG SER A 101 8.937 7.243 -2.284 1.00 53.05 O ATOM 0 H SER A 101 8.435 5.090 -4.118 1.00 64.43 H new ATOM 0 HA SER A 101 9.991 4.906 -1.684 1.00 3.12 H new ATOM 0 HB2 SER A 101 7.240 6.076 -2.323 1.00 74.11 H new ATOM 0 HB3 SER A 101 8.018 6.209 -0.758 1.00 74.11 H new ATOM 0 HG SER A 101 8.809 7.345 -3.250 1.00 53.05 H new ATOM 1651 N LEU A 102 7.408 2.924 -2.119 1.00 23.15 N ATOM 1652 CA LEU A 102 6.815 1.660 -1.620 1.00 62.11 C ATOM 1653 C LEU A 102 7.869 0.528 -1.657 1.00 30.12 C ATOM 1654 O LEU A 102 7.985 -0.249 -0.705 1.00 34.41 O ATOM 1655 CB LEU A 102 5.536 1.261 -2.420 1.00 23.31 C ATOM 1656 CG LEU A 102 4.168 1.806 -1.886 1.00 25.14 C ATOM 1657 CD1 LEU A 102 4.134 3.336 -1.853 1.00 12.42 C ATOM 1658 CD2 LEU A 102 2.980 1.230 -2.695 1.00 1.31 C ATOM 0 H LEU A 102 7.064 3.213 -3.035 1.00 23.15 H new ATOM 0 HA LEU A 102 6.506 1.820 -0.587 1.00 62.11 H new ATOM 0 HB2 LEU A 102 5.659 1.602 -3.448 1.00 23.31 H new ATOM 0 HB3 LEU A 102 5.480 0.173 -2.449 1.00 23.31 H new ATOM 0 HG LEU A 102 4.065 1.464 -0.856 1.00 25.14 H new ATOM 0 HD11 LEU A 102 3.167 3.670 -1.476 1.00 12.42 H new ATOM 0 HD12 LEU A 102 4.925 3.703 -1.199 1.00 12.42 H new ATOM 0 HD13 LEU A 102 4.285 3.725 -2.860 1.00 12.42 H new ATOM 0 HD21 LEU A 102 2.045 1.627 -2.300 1.00 1.31 H new ATOM 0 HD22 LEU A 102 3.081 1.514 -3.742 1.00 1.31 H new ATOM 0 HD23 LEU A 102 2.976 0.143 -2.612 1.00 1.31 H new ATOM 1670 N ASN A 103 8.636 0.454 -2.759 1.00 75.23 N ATOM 1671 CA ASN A 103 9.734 -0.528 -2.908 1.00 45.23 C ATOM 1672 C ASN A 103 10.845 -0.263 -1.861 1.00 31.25 C ATOM 1673 O ASN A 103 11.386 -1.195 -1.251 1.00 62.43 O ATOM 1674 CB ASN A 103 10.310 -0.470 -4.345 1.00 65.01 C ATOM 1675 CG ASN A 103 11.376 -1.540 -4.593 1.00 42.01 C ATOM 1676 OD1 ASN A 103 11.063 -2.673 -4.972 1.00 50.12 O ATOM 1677 ND2 ASN A 103 12.639 -1.203 -4.375 1.00 63.11 N ATOM 0 H ASN A 103 8.517 1.065 -3.567 1.00 75.23 H new ATOM 0 HA ASN A 103 9.336 -1.528 -2.735 1.00 45.23 H new ATOM 0 HB2 ASN A 103 9.500 -0.596 -5.063 1.00 65.01 H new ATOM 0 HB3 ASN A 103 10.741 0.516 -4.521 1.00 65.01 H new ATOM 0 HD21 ASN A 103 13.382 -1.887 -4.520 1.00 63.11 H new ATOM 0 HD22 ASN A 103 12.868 -0.260 -4.062 1.00 63.11 H new ATOM 1684 N ASN A 104 11.139 1.031 -1.660 1.00 1.45 N ATOM 1685 CA ASN A 104 12.110 1.521 -0.659 1.00 62.43 C ATOM 1686 C ASN A 104 11.614 1.175 0.743 1.00 1.12 C ATOM 1687 O ASN A 104 12.397 0.770 1.589 1.00 43.21 O ATOM 1688 CB ASN A 104 12.316 3.057 -0.809 1.00 23.05 C ATOM 1689 CG ASN A 104 13.225 3.693 0.250 1.00 72.30 C ATOM 1690 OD1 ASN A 104 14.444 3.757 0.094 1.00 75.22 O ATOM 1691 ND2 ASN A 104 12.633 4.178 1.334 1.00 41.14 N ATOM 0 H ASN A 104 10.703 1.782 -2.196 1.00 1.45 H new ATOM 0 HA ASN A 104 13.072 1.036 -0.823 1.00 62.43 H new ATOM 0 HB2 ASN A 104 12.735 3.258 -1.795 1.00 23.05 H new ATOM 0 HB3 ASN A 104 11.342 3.545 -0.771 1.00 23.05 H new ATOM 0 HD21 ASN A 104 13.191 4.618 2.066 1.00 41.14 H new ATOM 0 HD22 ASN A 104 11.620 4.110 1.435 1.00 41.14 H new ATOM 1698 N ALA A 105 10.289 1.308 0.944 1.00 13.21 N ATOM 1699 CA ALA A 105 9.641 0.990 2.220 1.00 74.32 C ATOM 1700 C ALA A 105 9.878 -0.482 2.590 1.00 70.01 C ATOM 1701 O ALA A 105 10.309 -0.779 3.704 1.00 41.35 O ATOM 1702 CB ALA A 105 8.138 1.311 2.163 1.00 53.21 C ATOM 0 H ALA A 105 9.644 1.638 0.226 1.00 13.21 H new ATOM 0 HA ALA A 105 10.085 1.611 2.998 1.00 74.32 H new ATOM 0 HB1 ALA A 105 7.677 1.067 3.120 1.00 53.21 H new ATOM 0 HB2 ALA A 105 8.000 2.372 1.954 1.00 53.21 H new ATOM 0 HB3 ALA A 105 7.670 0.722 1.375 1.00 53.21 H new ATOM 1708 N TYR A 106 9.638 -1.381 1.612 1.00 4.35 N ATOM 1709 CA TYR A 106 9.818 -2.831 1.795 1.00 31.10 C ATOM 1710 C TYR A 106 11.282 -3.167 2.177 1.00 71.15 C ATOM 1711 O TYR A 106 11.534 -3.781 3.223 1.00 43.51 O ATOM 1712 CB TYR A 106 9.415 -3.588 0.489 1.00 12.21 C ATOM 1713 CG TYR A 106 9.307 -5.119 0.646 1.00 21.24 C ATOM 1714 CD1 TYR A 106 10.445 -5.938 0.728 1.00 35.12 C ATOM 1715 CD2 TYR A 106 8.067 -5.748 0.728 1.00 53.42 C ATOM 1716 CE1 TYR A 106 10.341 -7.304 0.887 1.00 41.22 C ATOM 1717 CE2 TYR A 106 7.970 -7.115 0.883 1.00 72.33 C ATOM 1718 CZ TYR A 106 9.101 -7.886 0.965 1.00 73.10 C ATOM 1719 OH TYR A 106 8.988 -9.251 1.126 1.00 63.13 O ATOM 0 H TYR A 106 9.316 -1.121 0.680 1.00 4.35 H new ATOM 0 HA TYR A 106 9.172 -3.155 2.611 1.00 31.10 H new ATOM 0 HB2 TYR A 106 8.457 -3.202 0.141 1.00 12.21 H new ATOM 0 HB3 TYR A 106 10.148 -3.366 -0.286 1.00 12.21 H new ATOM 0 HD1 TYR A 106 11.425 -5.488 0.665 1.00 35.12 H new ATOM 0 HD2 TYR A 106 7.166 -5.155 0.669 1.00 53.42 H new ATOM 0 HE1 TYR A 106 11.231 -7.912 0.950 1.00 41.22 H new ATOM 0 HE2 TYR A 106 6.997 -7.581 0.940 1.00 72.33 H new ATOM 0 HH TYR A 106 8.041 -9.499 1.164 1.00 63.13 H new ATOM 1729 N GLY A 107 12.221 -2.732 1.314 1.00 70.34 N ATOM 1730 CA GLY A 107 13.629 -3.120 1.421 1.00 35.35 C ATOM 1731 C GLY A 107 14.326 -2.525 2.633 1.00 3.34 C ATOM 1732 O GLY A 107 15.108 -3.211 3.301 1.00 44.43 O ATOM 0 H GLY A 107 12.021 -2.108 0.532 1.00 70.34 H new ATOM 0 HA2 GLY A 107 13.697 -4.207 1.469 1.00 35.35 H new ATOM 0 HA3 GLY A 107 14.154 -2.807 0.519 1.00 35.35 H new ATOM 1736 N ARG A 108 14.036 -1.240 2.925 1.00 55.11 N ATOM 1737 CA ARG A 108 14.595 -0.557 4.100 1.00 64.33 C ATOM 1738 C ARG A 108 14.007 -1.141 5.389 1.00 52.42 C ATOM 1739 O ARG A 108 14.699 -1.177 6.401 1.00 11.12 O ATOM 1740 CB ARG A 108 14.379 0.985 4.055 1.00 55.23 C ATOM 1741 CG ARG A 108 15.058 1.728 2.875 1.00 15.31 C ATOM 1742 CD ARG A 108 16.595 1.600 2.836 1.00 14.52 C ATOM 1743 NE ARG A 108 17.044 0.272 2.389 1.00 44.13 N ATOM 1744 CZ ARG A 108 18.317 -0.144 2.340 1.00 3.54 C ATOM 1745 NH1 ARG A 108 19.320 0.644 2.703 1.00 15.33 N ATOM 1746 NH2 ARG A 108 18.580 -1.360 1.900 1.00 65.20 N ATOM 0 H ARG A 108 13.417 -0.658 2.360 1.00 55.11 H new ATOM 0 HA ARG A 108 15.671 -0.729 4.085 1.00 64.33 H new ATOM 0 HB2 ARG A 108 13.308 1.182 4.015 1.00 55.23 H new ATOM 0 HB3 ARG A 108 14.747 1.412 4.988 1.00 55.23 H new ATOM 0 HG2 ARG A 108 14.651 1.345 1.939 1.00 15.31 H new ATOM 0 HG3 ARG A 108 14.796 2.785 2.929 1.00 15.31 H new ATOM 0 HD2 ARG A 108 17.002 2.360 2.169 1.00 14.52 H new ATOM 0 HD3 ARG A 108 16.997 1.800 3.829 1.00 14.52 H new ATOM 0 HE ARG A 108 16.325 -0.388 2.091 1.00 44.13 H new ATOM 0 HH11 ARG A 108 19.132 1.592 3.029 1.00 15.33 H new ATOM 0 HH12 ARG A 108 20.280 0.302 2.656 1.00 15.33 H new ATOM 0 HH21 ARG A 108 17.819 -1.970 1.602 1.00 65.20 H new ATOM 0 HH22 ARG A 108 19.544 -1.689 1.857 1.00 65.20 H new ATOM 1760 N LEU A 109 12.718 -1.570 5.358 1.00 43.42 N ATOM 1761 CA LEU A 109 12.082 -2.242 6.516 1.00 31.14 C ATOM 1762 C LEU A 109 12.817 -3.539 6.845 1.00 43.22 C ATOM 1763 O LEU A 109 13.144 -3.806 8.007 1.00 20.40 O ATOM 1764 CB LEU A 109 10.580 -2.511 6.258 1.00 61.00 C ATOM 1765 CG LEU A 109 9.765 -3.144 7.438 1.00 25.43 C ATOM 1766 CD1 LEU A 109 9.808 -2.272 8.715 1.00 4.33 C ATOM 1767 CD2 LEU A 109 8.320 -3.410 7.003 1.00 44.43 C ATOM 0 H LEU A 109 12.105 -1.462 4.550 1.00 43.42 H new ATOM 0 HA LEU A 109 12.152 -1.574 7.374 1.00 31.14 H new ATOM 0 HB2 LEU A 109 10.107 -1.567 5.986 1.00 61.00 H new ATOM 0 HB3 LEU A 109 10.496 -3.170 5.394 1.00 61.00 H new ATOM 0 HG LEU A 109 10.238 -4.093 7.690 1.00 25.43 H new ATOM 0 HD11 LEU A 109 9.229 -2.753 9.504 1.00 4.33 H new ATOM 0 HD12 LEU A 109 10.841 -2.157 9.042 1.00 4.33 H new ATOM 0 HD13 LEU A 109 9.384 -1.291 8.500 1.00 4.33 H new ATOM 0 HD21 LEU A 109 7.766 -3.850 7.832 1.00 44.43 H new ATOM 0 HD22 LEU A 109 7.850 -2.472 6.709 1.00 44.43 H new ATOM 0 HD23 LEU A 109 8.315 -4.098 6.158 1.00 44.43 H new ATOM 1779 N SER A 110 13.118 -4.297 5.784 1.00 51.20 N ATOM 1780 CA SER A 110 13.799 -5.582 5.875 1.00 14.44 C ATOM 1781 C SER A 110 15.281 -5.396 6.305 1.00 22.32 C ATOM 1782 O SER A 110 15.827 -6.243 7.026 1.00 2.11 O ATOM 1783 CB SER A 110 13.683 -6.303 4.507 1.00 1.33 C ATOM 1784 OG SER A 110 14.083 -7.662 4.583 1.00 13.54 O ATOM 0 H SER A 110 12.890 -4.026 4.827 1.00 51.20 H new ATOM 0 HA SER A 110 13.327 -6.197 6.641 1.00 14.44 H new ATOM 0 HB2 SER A 110 12.653 -6.248 4.155 1.00 1.33 H new ATOM 0 HB3 SER A 110 14.299 -5.785 3.772 1.00 1.33 H new ATOM 0 HG SER A 110 13.993 -8.079 3.701 1.00 13.54 H new ATOM 1790 N GLY A 111 15.919 -4.283 5.862 1.00 52.14 N ATOM 1791 CA GLY A 111 17.339 -4.024 6.162 1.00 54.50 C ATOM 1792 C GLY A 111 17.580 -3.212 7.441 1.00 51.51 C ATOM 1793 O GLY A 111 18.165 -3.731 8.399 1.00 63.24 O ATOM 0 H GLY A 111 15.471 -3.559 5.300 1.00 52.14 H new ATOM 0 HA2 GLY A 111 17.859 -4.978 6.249 1.00 54.50 H new ATOM 0 HA3 GLY A 111 17.784 -3.494 5.320 1.00 54.50 H new ATOM 1797 N MET A 112 17.100 -1.949 7.477 1.00 3.23 N ATOM 1798 CA MET A 112 17.294 -1.048 8.646 1.00 54.05 C ATOM 1799 C MET A 112 16.107 -1.121 9.639 1.00 72.31 C ATOM 1800 O MET A 112 16.246 -1.693 10.726 1.00 31.21 O ATOM 1801 CB MET A 112 17.499 0.439 8.144 1.00 4.20 C ATOM 1802 CG MET A 112 18.919 0.998 8.338 1.00 13.15 C ATOM 1803 SD MET A 112 19.491 0.890 10.052 1.00 34.04 S ATOM 1804 CE MET A 112 18.195 1.758 10.934 1.00 33.12 C ATOM 0 H MET A 112 16.575 -1.526 6.712 1.00 3.23 H new ATOM 0 HA MET A 112 18.183 -1.381 9.181 1.00 54.05 H new ATOM 0 HB2 MET A 112 17.247 0.487 7.085 1.00 4.20 H new ATOM 0 HB3 MET A 112 16.795 1.085 8.669 1.00 4.20 H new ATOM 0 HG2 MET A 112 19.610 0.453 7.695 1.00 13.15 H new ATOM 0 HG3 MET A 112 18.941 2.040 8.018 1.00 13.15 H new ATOM 0 HE1 MET A 112 18.525 1.968 11.951 1.00 33.12 H new ATOM 0 HE2 MET A 112 17.972 2.695 10.424 1.00 33.12 H new ATOM 0 HE3 MET A 112 17.298 1.139 10.964 1.00 33.12 H new ATOM 1814 N LEU A 113 14.927 -0.601 9.200 1.00 14.12 N ATOM 1815 CA LEU A 113 13.650 -0.597 9.971 1.00 33.41 C ATOM 1816 C LEU A 113 12.563 0.219 9.201 1.00 61.32 C ATOM 1817 O LEU A 113 11.523 0.551 9.760 1.00 45.54 O ATOM 1818 CB LEU A 113 13.847 0.014 11.416 1.00 21.41 C ATOM 1819 CG LEU A 113 12.658 -0.179 12.423 1.00 44.22 C ATOM 1820 CD1 LEU A 113 12.340 -1.670 12.623 1.00 15.22 C ATOM 1821 CD2 LEU A 113 12.904 0.534 13.772 1.00 34.14 C ATOM 0 H LEU A 113 14.835 -0.164 8.283 1.00 14.12 H new ATOM 0 HA LEU A 113 13.325 -1.632 10.080 1.00 33.41 H new ATOM 0 HB2 LEU A 113 14.742 -0.428 11.855 1.00 21.41 H new ATOM 0 HB3 LEU A 113 14.037 1.082 11.312 1.00 21.41 H new ATOM 0 HG LEU A 113 11.784 0.296 11.978 1.00 44.22 H new ATOM 0 HD11 LEU A 113 11.513 -1.775 13.325 1.00 15.22 H new ATOM 0 HD12 LEU A 113 12.063 -2.114 11.667 1.00 15.22 H new ATOM 0 HD13 LEU A 113 13.219 -2.179 13.019 1.00 15.22 H new ATOM 0 HD21 LEU A 113 12.052 0.369 14.431 1.00 34.14 H new ATOM 0 HD22 LEU A 113 13.805 0.133 14.236 1.00 34.14 H new ATOM 0 HD23 LEU A 113 13.029 1.603 13.601 1.00 34.14 H new ATOM 1833 N LEU A 114 12.847 0.522 7.894 1.00 33.45 N ATOM 1834 CA LEU A 114 12.080 1.454 7.003 1.00 52.15 C ATOM 1835 C LEU A 114 12.529 2.915 7.259 1.00 14.32 C ATOM 1836 O LEU A 114 12.495 3.766 6.362 1.00 32.54 O ATOM 1837 CB LEU A 114 10.531 1.232 7.107 1.00 31.30 C ATOM 1838 CG LEU A 114 9.638 1.540 5.855 1.00 34.25 C ATOM 1839 CD1 LEU A 114 8.243 0.882 6.003 1.00 43.13 C ATOM 1840 CD2 LEU A 114 9.500 3.056 5.562 1.00 21.33 C ATOM 0 H LEU A 114 13.647 0.108 7.415 1.00 33.45 H new ATOM 0 HA LEU A 114 12.315 1.227 5.963 1.00 52.15 H new ATOM 0 HB2 LEU A 114 10.365 0.191 7.383 1.00 31.30 H new ATOM 0 HB3 LEU A 114 10.165 1.843 7.932 1.00 31.30 H new ATOM 0 HG LEU A 114 10.150 1.105 4.996 1.00 34.25 H new ATOM 0 HD11 LEU A 114 7.639 1.108 5.124 1.00 43.13 H new ATOM 0 HD12 LEU A 114 8.358 -0.198 6.097 1.00 43.13 H new ATOM 0 HD13 LEU A 114 7.749 1.273 6.893 1.00 43.13 H new ATOM 0 HD21 LEU A 114 8.870 3.201 4.684 1.00 21.33 H new ATOM 0 HD22 LEU A 114 9.047 3.553 6.420 1.00 21.33 H new ATOM 0 HD23 LEU A 114 10.486 3.482 5.376 1.00 21.33 H new