USER MOD reduce.3.24.130724 H: found=0, std=0, add=779, rem=0, adj=41 USER MOD reduce.3.24.130724 removed 777 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 107 LYS NZ :NH3+ -173:sc= -0.273 (180deg=-0.817) USER MOD Set 1.2: A 109 THR OG1 : rot 167:sc=-0.00234 USER MOD Set 2.1: A 71 SER OG : rot -36:sc= 0.241 USER MOD Set 2.2: A 73 SER OG : rot 180:sc= 0 USER MOD Set 3.1: A 35 GLN : amide:sc= -3.05! C(o=-2.7!,f=-3.5!) USER MOD Set 3.2: A 50 TYR OH : rot 180:sc= 0 USER MOD Set 3.3: A 94 TYR OH : rot 29:sc= 0.343 USER MOD Set 4.1: A 37 TYR OH : rot -20:sc= 1.25 USER MOD Set 4.2: A 39 GLN : amide:sc= -0.194 K(o=1.1,f=0.058) USER MOD Single : A 1 ASN : amide:sc= -0.416 X(o=-0.42,f=-0.037) USER MOD Single : A 1 ASN N :NH3+ -118:sc= 0.131 (180deg=0) USER MOD Single : A 3 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 5 THR OG1 : rot 180:sc= 0 USER MOD Single : A 6 GLN : amide:sc= -7.04! C(o=-7!,f=-7.3!) USER MOD Single : A 8 HIS : no HD1:sc= 0 X(o=0,f=0) USER MOD Single : A 9 SER OG : rot -7:sc= 0.568 USER MOD Single : A 11 SER OG : rot 180:sc= -0.53 USER MOD Single : A 13 SER OG : rot 180:sc= -0.361 USER MOD Single : A 16 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 17 THR OG1 : rot 180:sc= 0 USER MOD Single : A 19 THR OG1 : rot 180:sc= 0 USER MOD Single : A 21 SER OG : rot 180:sc= 0 USER MOD Single : A 23 THR OG1 : rot 180:sc= -0.0195 USER MOD Single : A 25 SER OG : rot 30:sc= 0.793 USER MOD Single : A 26 SER OG : rot 103:sc= -0.503 USER MOD Single : A 28 SER OG : rot 180:sc= 0.0453 USER MOD Single : A 31 SER OG : rot 180:sc=-0.00163 USER MOD Single : A 32 ASN : amide:sc= -0.144 X(o=-0.14,f=-0.14) USER MOD Single : A 33 TYR OH : rot 180:sc= 0 USER MOD Single : A 38 GLN : amide:sc= -4.88! C(o=-4.9!,f=-15!) USER MOD Single : A 43 SER OG : rot 110:sc= 0.564 USER MOD Single : A 44 SER OG : rot 180:sc= 0 USER MOD Single : A 46 THR OG1 : rot 180:sc= 0 USER MOD Single : A 47 THR OG1 : rot 180:sc= 0.0044 USER MOD Single : A 53 ASN : amide:sc= -0.777 K(o=-0.78,f=-0.16) USER MOD Single : A 54 GLN : amide:sc= -0.339 X(o=-0.34,f=-0.027) USER MOD Single : A 57 SER OG : rot 180:sc= 0 USER MOD Single : A 64 SER OG : rot 180:sc= 0 USER MOD Single : A 66 SER OG : rot -83:sc= 0.728 USER MOD Single : A 69 SER OG : rot 180:sc= -0.0341 USER MOD Single : A 70 SER OG : rot 180:sc= 0 USER MOD Single : A 72 ASN : amide:sc= 0.00336 K(o=0.0034,f=-2.6) USER MOD Single : A 75 SER OG : rot 113:sc= 0.0469 USER MOD Single : A 77 THR OG1 : rot 180:sc= 0 USER MOD Single : A 79 SER OG : rot 180:sc= 0 USER MOD Single : A 82 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 83 THR OG1 : rot 180:sc= 0 USER MOD Single : A 89 TYR OH : rot 180:sc= -0.094 USER MOD Single : A 90 TYR OH : rot -125:sc= 0.953 USER MOD Single : A 92 GLN : amide:sc= -0.0685 K(o=-0.069,f=-2.3!) USER MOD Single : A 93 SER OG : rot 170:sc= -0.918 USER MOD Single : A 96 SER OG : rot -63:sc= -0.0391 USER MOD Single : A 97 SER OG : rot 180:sc= -0.106 USER MOD Single : A 98 ASN : amide:sc= -0.024 X(o=-0.024,f=-0.057) USER MOD Single : A 99 HIS : no HE2:sc= -0.28 K(o=-0.28,f=-2.1) USER MOD Single : A 106 THR OG1 : rot -2:sc= 1.35 USER MOD ----------------------------------------------------------------- ATOM 1 N ASN A 1 71.639 11.207 -17.800 1.00 0.00 N ATOM 2 CA ASN A 1 71.702 9.775 -17.394 1.00 0.00 C ATOM 3 C ASN A 1 71.953 9.691 -15.892 1.00 0.00 C ATOM 4 O ASN A 1 71.962 10.706 -15.196 1.00 0.00 O ATOM 5 CB ASN A 1 72.831 9.077 -18.154 1.00 0.00 C ATOM 6 CG ASN A 1 72.425 8.857 -19.608 1.00 0.00 C ATOM 7 OD1 ASN A 1 73.197 9.159 -20.518 1.00 0.00 O ATOM 8 ND2 ASN A 1 71.264 8.329 -19.880 1.00 0.00 N ATOM 0 H1 ASN A 1 70.697 11.417 -18.188 1.00 0.00 H new ATOM 0 H2 ASN A 1 71.815 11.811 -16.972 1.00 0.00 H new ATOM 0 H3 ASN A 1 72.361 11.395 -18.524 1.00 0.00 H new ATOM 0 HA ASN A 1 70.759 9.282 -17.630 1.00 0.00 H new ATOM 0 HB2 ASN A 1 73.738 9.680 -18.109 1.00 0.00 H new ATOM 0 HB3 ASN A 1 73.060 8.121 -17.683 1.00 0.00 H new ATOM 0 HD21 ASN A 1 70.993 8.165 -20.850 1.00 0.00 H new ATOM 0 HD22 ASN A 1 70.627 8.080 -19.123 1.00 0.00 H new ATOM 17 N PHE A 2 72.257 8.486 -15.418 1.00 0.00 N ATOM 18 CA PHE A 2 72.518 8.263 -14.000 1.00 0.00 C ATOM 19 C PHE A 2 73.605 7.208 -13.823 1.00 0.00 C ATOM 20 O PHE A 2 73.550 6.143 -14.438 1.00 0.00 O ATOM 21 CB PHE A 2 71.233 7.816 -13.297 1.00 0.00 C ATOM 22 CG PHE A 2 70.916 6.378 -13.635 1.00 0.00 C ATOM 23 CD1 PHE A 2 71.554 5.342 -12.942 1.00 0.00 C ATOM 24 CD2 PHE A 2 70.064 6.083 -14.706 1.00 0.00 C ATOM 25 CE1 PHE A 2 71.275 4.009 -13.267 1.00 0.00 C ATOM 26 CE2 PHE A 2 69.769 4.751 -15.017 1.00 0.00 C ATOM 27 CZ PHE A 2 70.390 3.714 -14.310 1.00 0.00 C ATOM 0 H PHE A 2 72.329 7.649 -15.996 1.00 0.00 H new ATOM 0 HA PHE A 2 72.861 9.197 -13.554 1.00 0.00 H new ATOM 0 HB2 PHE A 2 71.345 7.926 -12.218 1.00 0.00 H new ATOM 0 HB3 PHE A 2 70.405 8.457 -13.598 1.00 0.00 H new ATOM 0 HD1 PHE A 2 72.260 5.571 -12.158 1.00 0.00 H new ATOM 0 HD2 PHE A 2 69.635 6.883 -15.292 1.00 0.00 H new ATOM 0 HE1 PHE A 2 71.743 3.209 -12.713 1.00 0.00 H new ATOM 0 HE2 PHE A 2 69.063 4.523 -15.802 1.00 0.00 H new ATOM 0 HZ PHE A 2 70.186 2.686 -14.570 1.00 0.00 H new ATOM 37 N MET A 3 74.614 7.524 -13.019 1.00 0.00 N ATOM 38 CA MET A 3 75.693 6.577 -12.761 1.00 0.00 C ATOM 39 C MET A 3 76.322 6.841 -11.396 1.00 0.00 C ATOM 40 O MET A 3 76.107 7.903 -10.812 1.00 0.00 O ATOM 41 CB MET A 3 76.768 6.701 -13.842 1.00 0.00 C ATOM 42 CG MET A 3 76.218 6.192 -15.176 1.00 0.00 C ATOM 43 SD MET A 3 77.562 6.009 -16.374 1.00 0.00 S ATOM 44 CE MET A 3 76.536 5.831 -17.856 1.00 0.00 C ATOM 0 H MET A 3 74.708 8.419 -12.539 1.00 0.00 H new ATOM 0 HA MET A 3 75.275 5.570 -12.773 1.00 0.00 H new ATOM 0 HB2 MET A 3 77.081 7.740 -13.940 1.00 0.00 H new ATOM 0 HB3 MET A 3 77.650 6.127 -13.559 1.00 0.00 H new ATOM 0 HG2 MET A 3 75.718 5.235 -15.030 1.00 0.00 H new ATOM 0 HG3 MET A 3 75.471 6.887 -15.559 1.00 0.00 H new ATOM 0 HE1 MET A 3 77.176 5.704 -18.729 1.00 0.00 H new ATOM 0 HE2 MET A 3 75.891 4.959 -17.749 1.00 0.00 H new ATOM 0 HE3 MET A 3 75.923 6.723 -17.983 1.00 0.00 H new ATOM 54 N LEU A 4 77.165 5.921 -10.928 1.00 0.00 N ATOM 55 CA LEU A 4 77.903 6.114 -9.687 1.00 0.00 C ATOM 56 C LEU A 4 79.400 6.152 -9.968 1.00 0.00 C ATOM 57 O LEU A 4 79.955 5.223 -10.555 1.00 0.00 O ATOM 58 CB LEU A 4 77.586 4.948 -8.746 1.00 0.00 C ATOM 59 CG LEU A 4 76.186 5.114 -8.139 1.00 0.00 C ATOM 60 CD1 LEU A 4 75.618 3.752 -7.716 1.00 0.00 C ATOM 61 CD2 LEU A 4 76.234 6.076 -6.945 1.00 0.00 C ATOM 0 H LEU A 4 77.352 5.033 -11.394 1.00 0.00 H new ATOM 0 HA LEU A 4 77.611 7.059 -9.228 1.00 0.00 H new ATOM 0 HB2 LEU A 4 77.643 4.006 -9.292 1.00 0.00 H new ATOM 0 HB3 LEU A 4 78.330 4.901 -7.951 1.00 0.00 H new ATOM 0 HG LEU A 4 75.526 5.538 -8.896 1.00 0.00 H new ATOM 0 HD11 LEU A 4 74.625 3.889 -7.288 1.00 0.00 H new ATOM 0 HD12 LEU A 4 75.551 3.100 -8.587 1.00 0.00 H new ATOM 0 HD13 LEU A 4 76.274 3.299 -6.973 1.00 0.00 H new ATOM 0 HD21 LEU A 4 75.234 6.184 -6.525 1.00 0.00 H new ATOM 0 HD22 LEU A 4 76.906 5.679 -6.185 1.00 0.00 H new ATOM 0 HD23 LEU A 4 76.596 7.049 -7.276 1.00 0.00 H new ATOM 73 N THR A 5 80.057 7.201 -9.481 1.00 0.00 N ATOM 74 CA THR A 5 81.500 7.344 -9.649 1.00 0.00 C ATOM 75 C THR A 5 82.223 6.955 -8.363 1.00 0.00 C ATOM 76 O THR A 5 82.078 7.614 -7.333 1.00 0.00 O ATOM 77 CB THR A 5 81.825 8.796 -10.008 1.00 0.00 C ATOM 78 OG1 THR A 5 81.140 9.149 -11.200 1.00 0.00 O ATOM 79 CG2 THR A 5 83.331 8.973 -10.211 1.00 0.00 C ATOM 0 H THR A 5 79.614 7.963 -8.968 1.00 0.00 H new ATOM 0 HA THR A 5 81.835 6.685 -10.450 1.00 0.00 H new ATOM 0 HB THR A 5 81.505 9.443 -9.191 1.00 0.00 H new ATOM 0 HG1 THR A 5 81.345 10.079 -11.432 1.00 0.00 H new ATOM 0 HG21 THR A 5 83.544 10.011 -10.466 1.00 0.00 H new ATOM 0 HG22 THR A 5 83.855 8.710 -9.292 1.00 0.00 H new ATOM 0 HG23 THR A 5 83.668 8.325 -11.020 1.00 0.00 H new ATOM 87 N GLN A 6 83.043 5.912 -8.447 1.00 0.00 N ATOM 88 CA GLN A 6 83.794 5.431 -7.291 1.00 0.00 C ATOM 89 C GLN A 6 85.163 4.930 -7.749 1.00 0.00 C ATOM 90 O GLN A 6 85.291 4.454 -8.877 1.00 0.00 O ATOM 91 CB GLN A 6 83.017 4.324 -6.562 1.00 0.00 C ATOM 92 CG GLN A 6 81.632 4.127 -7.186 1.00 0.00 C ATOM 93 CD GLN A 6 80.903 2.982 -6.492 1.00 0.00 C ATOM 94 OE1 GLN A 6 79.680 3.017 -6.355 1.00 0.00 O ATOM 95 NE2 GLN A 6 81.585 1.981 -6.010 1.00 0.00 N ATOM 0 H GLN A 6 83.205 5.383 -9.304 1.00 0.00 H new ATOM 0 HA GLN A 6 83.936 6.251 -6.587 1.00 0.00 H new ATOM 0 HB2 GLN A 6 83.577 3.390 -6.608 1.00 0.00 H new ATOM 0 HB3 GLN A 6 82.912 4.581 -5.508 1.00 0.00 H new ATOM 0 HG2 GLN A 6 81.051 5.045 -7.098 1.00 0.00 H new ATOM 0 HG3 GLN A 6 81.731 3.913 -8.250 1.00 0.00 H new ATOM 0 HE21 GLN A 6 82.598 1.952 -6.124 1.00 0.00 H new ATOM 0 HE22 GLN A 6 81.105 1.226 -5.519 1.00 0.00 H new ATOM 104 N PRO A 7 86.098 4.794 -6.845 1.00 0.00 N ATOM 105 CA PRO A 7 87.467 4.312 -7.185 1.00 0.00 C ATOM 106 C PRO A 7 87.414 2.954 -7.880 1.00 0.00 C ATOM 107 O PRO A 7 86.511 2.162 -7.616 1.00 0.00 O ATOM 108 CB PRO A 7 88.197 4.224 -5.837 1.00 0.00 C ATOM 109 CG PRO A 7 87.260 4.738 -4.787 1.00 0.00 C ATOM 110 CD PRO A 7 86.073 5.390 -5.500 1.00 0.00 C ATOM 0 HA PRO A 7 87.977 4.978 -7.880 1.00 0.00 H new ATOM 0 HB2 PRO A 7 88.486 3.195 -5.623 1.00 0.00 H new ATOM 0 HB3 PRO A 7 89.113 4.815 -5.857 1.00 0.00 H new ATOM 0 HG2 PRO A 7 86.921 3.924 -4.146 1.00 0.00 H new ATOM 0 HG3 PRO A 7 87.764 5.460 -4.145 1.00 0.00 H new ATOM 0 HD2 PRO A 7 85.134 5.180 -4.987 1.00 0.00 H new ATOM 0 HD3 PRO A 7 86.178 6.474 -5.541 1.00 0.00 H new ATOM 118 N HIS A 8 88.303 2.739 -8.845 1.00 0.00 N ATOM 119 CA HIS A 8 88.351 1.461 -9.544 1.00 0.00 C ATOM 120 C HIS A 8 89.046 0.412 -8.681 1.00 0.00 C ATOM 121 O HIS A 8 88.762 -0.780 -8.797 1.00 0.00 O ATOM 122 CB HIS A 8 89.082 1.629 -10.882 1.00 0.00 C ATOM 123 CG HIS A 8 88.124 2.043 -11.967 1.00 0.00 C ATOM 124 ND1 HIS A 8 88.057 1.375 -13.178 1.00 0.00 N ATOM 125 CD2 HIS A 8 87.086 2.945 -11.982 1.00 0.00 C ATOM 126 CE1 HIS A 8 87.074 1.937 -13.901 1.00 0.00 C ATOM 127 NE2 HIS A 8 86.433 2.884 -13.212 1.00 0.00 N ATOM 0 H HIS A 8 88.991 3.424 -9.157 1.00 0.00 H new ATOM 0 HA HIS A 8 87.333 1.123 -9.740 1.00 0.00 H new ATOM 0 HB2 HIS A 8 89.868 2.377 -10.780 1.00 0.00 H new ATOM 0 HB3 HIS A 8 89.567 0.692 -11.157 1.00 0.00 H new ATOM 0 HD2 HIS A 8 86.818 3.600 -11.166 1.00 0.00 H new ATOM 0 HE1 HIS A 8 86.832 1.657 -14.916 1.00 0.00 H new ATOM 0 HE2 HIS A 8 85.637 3.443 -13.519 1.00 0.00 H new ATOM 135 N SER A 9 90.051 0.842 -7.925 1.00 0.00 N ATOM 136 CA SER A 9 90.819 -0.085 -7.103 1.00 0.00 C ATOM 137 C SER A 9 91.695 0.689 -6.125 1.00 0.00 C ATOM 138 O SER A 9 92.182 1.775 -6.438 1.00 0.00 O ATOM 139 CB SER A 9 91.705 -0.974 -7.979 1.00 0.00 C ATOM 140 OG SER A 9 90.894 -1.847 -8.752 1.00 0.00 O ATOM 0 H SER A 9 90.350 1.815 -7.865 1.00 0.00 H new ATOM 0 HA SER A 9 90.120 -0.713 -6.551 1.00 0.00 H new ATOM 0 HB2 SER A 9 92.320 -0.357 -8.635 1.00 0.00 H new ATOM 0 HB3 SER A 9 92.386 -1.552 -7.355 1.00 0.00 H new ATOM 0 HG SER A 9 89.959 -1.758 -8.472 1.00 0.00 H new ATOM 146 N VAL A 10 91.928 0.102 -4.957 1.00 0.00 N ATOM 147 CA VAL A 10 92.705 0.775 -3.923 1.00 0.00 C ATOM 148 C VAL A 10 93.275 -0.242 -2.940 1.00 0.00 C ATOM 149 O VAL A 10 92.703 -1.310 -2.728 1.00 0.00 O ATOM 150 CB VAL A 10 91.831 1.786 -3.178 1.00 0.00 C ATOM 151 CG1 VAL A 10 90.558 1.116 -2.644 1.00 0.00 C ATOM 152 CG2 VAL A 10 92.639 2.386 -2.025 1.00 0.00 C ATOM 0 H VAL A 10 91.594 -0.828 -4.704 1.00 0.00 H new ATOM 0 HA VAL A 10 93.530 1.303 -4.400 1.00 0.00 H new ATOM 0 HB VAL A 10 91.529 2.576 -3.866 1.00 0.00 H new ATOM 0 HG11 VAL A 10 89.952 1.854 -2.118 1.00 0.00 H new ATOM 0 HG12 VAL A 10 89.987 0.704 -3.476 1.00 0.00 H new ATOM 0 HG13 VAL A 10 90.829 0.314 -1.958 1.00 0.00 H new ATOM 0 HG21 VAL A 10 92.025 3.108 -1.487 1.00 0.00 H new ATOM 0 HG22 VAL A 10 92.946 1.592 -1.344 1.00 0.00 H new ATOM 0 HG23 VAL A 10 93.523 2.885 -2.421 1.00 0.00 H new ATOM 162 N SER A 11 94.427 0.094 -2.367 1.00 0.00 N ATOM 163 CA SER A 11 95.115 -0.803 -1.445 1.00 0.00 C ATOM 164 C SER A 11 95.716 -0.001 -0.295 1.00 0.00 C ATOM 165 O SER A 11 96.042 1.174 -0.455 1.00 0.00 O ATOM 166 CB SER A 11 96.227 -1.547 -2.186 1.00 0.00 C ATOM 167 OG SER A 11 95.678 -2.198 -3.323 1.00 0.00 O ATOM 0 H SER A 11 94.904 0.982 -2.525 1.00 0.00 H new ATOM 0 HA SER A 11 94.400 -1.523 -1.046 1.00 0.00 H new ATOM 0 HB2 SER A 11 97.006 -0.849 -2.493 1.00 0.00 H new ATOM 0 HB3 SER A 11 96.695 -2.277 -1.525 1.00 0.00 H new ATOM 0 HG SER A 11 96.388 -2.675 -3.802 1.00 0.00 H new ATOM 173 N GLU A 12 95.903 -0.654 0.848 1.00 0.00 N ATOM 174 CA GLU A 12 96.524 0.004 1.992 1.00 0.00 C ATOM 175 C GLU A 12 97.151 -1.034 2.920 1.00 0.00 C ATOM 176 O GLU A 12 96.788 -2.210 2.884 1.00 0.00 O ATOM 177 CB GLU A 12 95.471 0.840 2.732 1.00 0.00 C ATOM 178 CG GLU A 12 95.984 2.255 3.015 1.00 0.00 C ATOM 179 CD GLU A 12 97.303 2.174 3.776 1.00 0.00 C ATOM 180 OE1 GLU A 12 97.329 1.509 4.799 1.00 0.00 O ATOM 181 OE2 GLU A 12 98.268 2.766 3.322 1.00 0.00 O ATOM 0 H GLU A 12 95.637 -1.626 1.006 1.00 0.00 H new ATOM 0 HA GLU A 12 97.317 0.667 1.646 1.00 0.00 H new ATOM 0 HB2 GLU A 12 94.560 0.893 2.135 1.00 0.00 H new ATOM 0 HB3 GLU A 12 95.209 0.351 3.670 1.00 0.00 H new ATOM 0 HG2 GLU A 12 96.124 2.797 2.079 1.00 0.00 H new ATOM 0 HG3 GLU A 12 95.249 2.810 3.598 1.00 0.00 H new ATOM 188 N SER A 13 98.085 -0.591 3.756 1.00 0.00 N ATOM 189 CA SER A 13 98.754 -1.492 4.688 1.00 0.00 C ATOM 190 C SER A 13 97.889 -1.697 5.932 1.00 0.00 C ATOM 191 O SER A 13 97.254 -0.750 6.400 1.00 0.00 O ATOM 192 CB SER A 13 100.120 -0.915 5.072 1.00 0.00 C ATOM 193 OG SER A 13 101.053 -1.975 5.223 1.00 0.00 O ATOM 0 H SER A 13 98.394 0.380 3.807 1.00 0.00 H new ATOM 0 HA SER A 13 98.903 -2.460 4.209 1.00 0.00 H new ATOM 0 HB2 SER A 13 100.463 -0.220 4.305 1.00 0.00 H new ATOM 0 HB3 SER A 13 100.041 -0.350 6.001 1.00 0.00 H new ATOM 0 HG SER A 13 101.928 -1.608 5.467 1.00 0.00 H new ATOM 199 N PRO A 14 97.972 -2.833 6.573 1.00 0.00 N ATOM 200 CA PRO A 14 97.177 -3.096 7.806 1.00 0.00 C ATOM 201 C PRO A 14 97.493 -2.068 8.889 1.00 0.00 C ATOM 202 O PRO A 14 98.579 -1.488 8.902 1.00 0.00 O ATOM 203 CB PRO A 14 97.566 -4.515 8.247 1.00 0.00 C ATOM 204 CG PRO A 14 98.568 -5.034 7.262 1.00 0.00 C ATOM 205 CD PRO A 14 98.670 -4.040 6.102 1.00 0.00 C ATOM 0 HA PRO A 14 96.105 -3.016 7.623 1.00 0.00 H new ATOM 0 HB2 PRO A 14 97.988 -4.502 9.252 1.00 0.00 H new ATOM 0 HB3 PRO A 14 96.689 -5.161 8.278 1.00 0.00 H new ATOM 0 HG2 PRO A 14 99.540 -5.159 7.740 1.00 0.00 H new ATOM 0 HG3 PRO A 14 98.265 -6.015 6.895 1.00 0.00 H new ATOM 0 HD2 PRO A 14 99.710 -3.824 5.857 1.00 0.00 H new ATOM 0 HD3 PRO A 14 98.206 -4.438 5.199 1.00 0.00 H new ATOM 213 N GLY A 15 96.552 -1.866 9.808 1.00 0.00 N ATOM 214 CA GLY A 15 96.736 -0.911 10.897 1.00 0.00 C ATOM 215 C GLY A 15 96.108 0.436 10.559 1.00 0.00 C ATOM 216 O GLY A 15 95.603 1.134 11.438 1.00 0.00 O ATOM 0 H GLY A 15 95.655 -2.351 9.820 1.00 0.00 H new ATOM 0 HA2 GLY A 15 96.289 -1.305 11.810 1.00 0.00 H new ATOM 0 HA3 GLY A 15 97.800 -0.780 11.094 1.00 0.00 H new ATOM 220 N LYS A 16 96.145 0.802 9.283 1.00 0.00 N ATOM 221 CA LYS A 16 95.573 2.071 8.848 1.00 0.00 C ATOM 222 C LYS A 16 94.063 1.947 8.673 1.00 0.00 C ATOM 223 O LYS A 16 93.423 1.102 9.298 1.00 0.00 O ATOM 224 CB LYS A 16 96.200 2.501 7.520 1.00 0.00 C ATOM 225 CG LYS A 16 97.726 2.518 7.652 1.00 0.00 C ATOM 226 CD LYS A 16 98.156 3.551 8.701 1.00 0.00 C ATOM 227 CE LYS A 16 99.609 3.976 8.469 1.00 0.00 C ATOM 228 NZ LYS A 16 100.147 4.612 9.704 1.00 0.00 N ATOM 0 H LYS A 16 96.561 0.244 8.537 1.00 0.00 H new ATOM 0 HA LYS A 16 95.783 2.820 9.612 1.00 0.00 H new ATOM 0 HB2 LYS A 16 95.901 1.816 6.727 1.00 0.00 H new ATOM 0 HB3 LYS A 16 95.838 3.490 7.239 1.00 0.00 H new ATOM 0 HG2 LYS A 16 98.085 1.529 7.937 1.00 0.00 H new ATOM 0 HG3 LYS A 16 98.179 2.756 6.690 1.00 0.00 H new ATOM 0 HD2 LYS A 16 97.503 4.423 8.651 1.00 0.00 H new ATOM 0 HD3 LYS A 16 98.049 3.130 9.701 1.00 0.00 H new ATOM 0 HE2 LYS A 16 100.214 3.109 8.201 1.00 0.00 H new ATOM 0 HE3 LYS A 16 99.665 4.674 7.634 1.00 0.00 H new ATOM 0 HZ1 LYS A 16 101.134 4.900 9.545 1.00 0.00 H new ATOM 0 HZ2 LYS A 16 99.576 5.448 9.941 1.00 0.00 H new ATOM 0 HZ3 LYS A 16 100.107 3.932 10.490 1.00 0.00 H new ATOM 242 N THR A 17 93.499 2.842 7.866 1.00 0.00 N ATOM 243 CA THR A 17 92.067 2.848 7.592 1.00 0.00 C ATOM 244 C THR A 17 91.801 3.002 6.100 1.00 0.00 C ATOM 245 O THR A 17 92.707 3.299 5.322 1.00 0.00 O ATOM 246 CB THR A 17 91.395 4.008 8.328 1.00 0.00 C ATOM 247 OG1 THR A 17 92.045 5.223 7.988 1.00 0.00 O ATOM 248 CG2 THR A 17 91.490 3.799 9.842 1.00 0.00 C ATOM 0 H THR A 17 94.018 3.578 7.387 1.00 0.00 H new ATOM 0 HA THR A 17 91.658 1.898 7.936 1.00 0.00 H new ATOM 0 HB THR A 17 90.346 4.051 8.035 1.00 0.00 H new ATOM 0 HG1 THR A 17 91.614 5.967 8.458 1.00 0.00 H new ATOM 0 HG21 THR A 17 91.008 4.631 10.355 1.00 0.00 H new ATOM 0 HG22 THR A 17 90.992 2.868 10.113 1.00 0.00 H new ATOM 0 HG23 THR A 17 92.538 3.749 10.137 1.00 0.00 H new ATOM 256 N VAL A 18 90.561 2.726 5.705 1.00 0.00 N ATOM 257 CA VAL A 18 90.140 2.861 4.313 1.00 0.00 C ATOM 258 C VAL A 18 88.880 3.714 4.223 1.00 0.00 C ATOM 259 O VAL A 18 87.942 3.555 5.005 1.00 0.00 O ATOM 260 CB VAL A 18 89.912 1.466 3.722 1.00 0.00 C ATOM 261 CG1 VAL A 18 89.065 1.554 2.451 1.00 0.00 C ATOM 262 CG2 VAL A 18 91.267 0.821 3.416 1.00 0.00 C ATOM 0 H VAL A 18 89.825 2.405 6.334 1.00 0.00 H new ATOM 0 HA VAL A 18 90.918 3.363 3.738 1.00 0.00 H new ATOM 0 HB VAL A 18 89.374 0.853 4.445 1.00 0.00 H new ATOM 0 HG11 VAL A 18 88.913 0.554 2.045 1.00 0.00 H new ATOM 0 HG12 VAL A 18 88.099 2.000 2.688 1.00 0.00 H new ATOM 0 HG13 VAL A 18 89.579 2.171 1.714 1.00 0.00 H new ATOM 0 HG21 VAL A 18 91.110 -0.172 2.995 1.00 0.00 H new ATOM 0 HG22 VAL A 18 91.810 1.437 2.699 1.00 0.00 H new ATOM 0 HG23 VAL A 18 91.846 0.738 4.335 1.00 0.00 H new ATOM 272 N THR A 19 88.848 4.588 3.222 1.00 0.00 N ATOM 273 CA THR A 19 87.668 5.390 2.935 1.00 0.00 C ATOM 274 C THR A 19 87.296 5.229 1.465 1.00 0.00 C ATOM 275 O THR A 19 88.034 5.659 0.579 1.00 0.00 O ATOM 276 CB THR A 19 87.980 6.852 3.259 1.00 0.00 C ATOM 277 OG1 THR A 19 88.140 7.001 4.662 1.00 0.00 O ATOM 278 CG2 THR A 19 86.835 7.744 2.776 1.00 0.00 C ATOM 0 H THR A 19 89.633 4.758 2.593 1.00 0.00 H new ATOM 0 HA THR A 19 86.824 5.063 3.542 1.00 0.00 H new ATOM 0 HB THR A 19 88.900 7.145 2.754 1.00 0.00 H new ATOM 0 HG1 THR A 19 88.342 7.937 4.871 1.00 0.00 H new ATOM 0 HG21 THR A 19 87.061 8.785 3.009 1.00 0.00 H new ATOM 0 HG22 THR A 19 86.715 7.631 1.698 1.00 0.00 H new ATOM 0 HG23 THR A 19 85.911 7.453 3.276 1.00 0.00 H new ATOM 286 N ILE A 20 86.098 4.708 1.222 1.00 0.00 N ATOM 287 CA ILE A 20 85.598 4.542 -0.139 1.00 0.00 C ATOM 288 C ILE A 20 84.489 5.555 -0.408 1.00 0.00 C ATOM 289 O ILE A 20 83.436 5.518 0.230 1.00 0.00 O ATOM 290 CB ILE A 20 85.053 3.123 -0.329 1.00 0.00 C ATOM 291 CG1 ILE A 20 86.142 2.103 0.022 1.00 0.00 C ATOM 292 CG2 ILE A 20 84.602 2.922 -1.780 1.00 0.00 C ATOM 293 CD1 ILE A 20 85.560 0.691 0.143 1.00 0.00 C ATOM 0 H ILE A 20 85.455 4.393 1.949 1.00 0.00 H new ATOM 0 HA ILE A 20 86.417 4.707 -0.839 1.00 0.00 H new ATOM 0 HB ILE A 20 84.197 2.979 0.330 1.00 0.00 H new ATOM 0 HG12 ILE A 20 86.916 2.115 -0.745 1.00 0.00 H new ATOM 0 HG13 ILE A 20 86.619 2.384 0.961 1.00 0.00 H new ATOM 0 HG21 ILE A 20 84.216 1.910 -1.904 1.00 0.00 H new ATOM 0 HG22 ILE A 20 83.819 3.641 -2.020 1.00 0.00 H new ATOM 0 HG23 ILE A 20 85.450 3.072 -2.449 1.00 0.00 H new ATOM 0 HD11 ILE A 20 86.356 -0.011 0.393 1.00 0.00 H new ATOM 0 HD12 ILE A 20 84.803 0.675 0.927 1.00 0.00 H new ATOM 0 HD13 ILE A 20 85.106 0.402 -0.805 1.00 0.00 H new ATOM 305 N SER A 21 84.700 6.406 -1.408 1.00 0.00 N ATOM 306 CA SER A 21 83.713 7.415 -1.782 1.00 0.00 C ATOM 307 C SER A 21 82.912 6.944 -2.993 1.00 0.00 C ATOM 308 O SER A 21 83.479 6.392 -3.936 1.00 0.00 O ATOM 309 CB SER A 21 84.424 8.734 -2.098 1.00 0.00 C ATOM 310 OG SER A 21 84.889 8.718 -3.439 1.00 0.00 O ATOM 0 H SER A 21 85.548 6.417 -1.975 1.00 0.00 H new ATOM 0 HA SER A 21 83.025 7.570 -0.951 1.00 0.00 H new ATOM 0 HB2 SER A 21 83.741 9.571 -1.950 1.00 0.00 H new ATOM 0 HB3 SER A 21 85.261 8.880 -1.415 1.00 0.00 H new ATOM 0 HG SER A 21 85.342 9.564 -3.638 1.00 0.00 H new ATOM 316 N CYS A 22 81.590 7.100 -2.943 1.00 0.00 N ATOM 317 CA CYS A 22 80.739 6.793 -4.093 1.00 0.00 C ATOM 318 C CYS A 22 79.867 8.022 -4.368 1.00 0.00 C ATOM 319 O CYS A 22 79.118 8.462 -3.496 1.00 0.00 O ATOM 320 CB CYS A 22 79.866 5.550 -3.818 1.00 0.00 C ATOM 321 SG CYS A 22 80.827 4.084 -3.321 1.00 0.00 S ATOM 0 H CYS A 22 81.086 7.436 -2.122 1.00 0.00 H new ATOM 0 HA CYS A 22 81.353 6.563 -4.964 1.00 0.00 H new ATOM 0 HB2 CYS A 22 79.147 5.787 -3.034 1.00 0.00 H new ATOM 0 HB3 CYS A 22 79.293 5.313 -4.714 1.00 0.00 H new ATOM 326 N THR A 23 80.032 8.645 -5.537 1.00 0.00 N ATOM 327 CA THR A 23 79.213 9.786 -5.946 1.00 0.00 C ATOM 328 C THR A 23 78.149 9.353 -6.946 1.00 0.00 C ATOM 329 O THR A 23 78.473 8.825 -8.010 1.00 0.00 O ATOM 330 CB THR A 23 80.071 10.889 -6.575 1.00 0.00 C ATOM 331 OG1 THR A 23 81.165 11.182 -5.719 1.00 0.00 O ATOM 332 CG2 THR A 23 79.251 12.164 -6.798 1.00 0.00 C ATOM 0 H THR A 23 80.735 8.373 -6.224 1.00 0.00 H new ATOM 0 HA THR A 23 78.733 10.178 -5.049 1.00 0.00 H new ATOM 0 HB THR A 23 80.432 10.534 -7.540 1.00 0.00 H new ATOM 0 HG1 THR A 23 81.715 11.886 -6.121 1.00 0.00 H new ATOM 0 HG21 THR A 23 79.884 12.930 -7.245 1.00 0.00 H new ATOM 0 HG22 THR A 23 78.417 11.948 -7.465 1.00 0.00 H new ATOM 0 HG23 THR A 23 78.868 12.522 -5.842 1.00 0.00 H new ATOM 340 N GLY A 24 76.897 9.694 -6.660 1.00 0.00 N ATOM 341 CA GLY A 24 75.789 9.329 -7.539 1.00 0.00 C ATOM 342 C GLY A 24 75.309 10.532 -8.341 1.00 0.00 C ATOM 343 O GLY A 24 75.001 11.584 -7.781 1.00 0.00 O ATOM 0 H GLY A 24 76.623 10.220 -5.830 1.00 0.00 H new ATOM 0 HA2 GLY A 24 76.105 8.537 -8.218 1.00 0.00 H new ATOM 0 HA3 GLY A 24 74.966 8.931 -6.946 1.00 0.00 H new ATOM 347 N SER A 25 75.131 10.323 -9.642 1.00 0.00 N ATOM 348 CA SER A 25 74.638 11.369 -10.532 1.00 0.00 C ATOM 349 C SER A 25 73.155 11.165 -10.820 1.00 0.00 C ATOM 350 O SER A 25 72.552 11.925 -11.577 1.00 0.00 O ATOM 351 CB SER A 25 75.422 11.330 -11.847 1.00 0.00 C ATOM 352 OG SER A 25 74.600 11.811 -12.900 1.00 0.00 O ATOM 0 H SER A 25 75.322 9.434 -10.105 1.00 0.00 H new ATOM 0 HA SER A 25 74.774 12.336 -10.049 1.00 0.00 H new ATOM 0 HB2 SER A 25 76.322 11.940 -11.765 1.00 0.00 H new ATOM 0 HB3 SER A 25 75.746 10.311 -12.060 1.00 0.00 H new ATOM 0 HG SER A 25 73.963 12.465 -12.545 1.00 0.00 H new ATOM 358 N SER A 26 72.552 10.211 -10.119 1.00 0.00 N ATOM 359 CA SER A 26 71.127 9.945 -10.280 1.00 0.00 C ATOM 360 C SER A 26 70.306 10.986 -9.529 1.00 0.00 C ATOM 361 O SER A 26 69.390 11.593 -10.085 1.00 0.00 O ATOM 362 CB SER A 26 70.789 8.552 -9.741 1.00 0.00 C ATOM 363 OG SER A 26 70.584 8.630 -8.339 1.00 0.00 O ATOM 0 H SER A 26 73.023 9.614 -9.439 1.00 0.00 H new ATOM 0 HA SER A 26 70.885 9.994 -11.342 1.00 0.00 H new ATOM 0 HB2 SER A 26 69.894 8.167 -10.230 1.00 0.00 H new ATOM 0 HB3 SER A 26 71.598 7.857 -9.964 1.00 0.00 H new ATOM 0 HG SER A 26 69.623 8.604 -8.147 1.00 0.00 H new ATOM 369 N GLY A 27 70.635 11.176 -8.256 1.00 0.00 N ATOM 370 CA GLY A 27 69.950 12.172 -7.443 1.00 0.00 C ATOM 371 C GLY A 27 70.732 12.437 -6.163 1.00 0.00 C ATOM 372 O GLY A 27 71.782 11.840 -5.926 1.00 0.00 O ATOM 0 H GLY A 27 71.366 10.658 -7.769 1.00 0.00 H new ATOM 0 HA2 GLY A 27 69.838 13.098 -8.007 1.00 0.00 H new ATOM 0 HA3 GLY A 27 68.946 11.824 -7.199 1.00 0.00 H new ATOM 376 N SER A 28 70.161 13.264 -5.295 1.00 0.00 N ATOM 377 CA SER A 28 70.825 13.591 -4.040 1.00 0.00 C ATOM 378 C SER A 28 70.987 12.335 -3.192 1.00 0.00 C ATOM 379 O SER A 28 70.014 11.799 -2.660 1.00 0.00 O ATOM 380 CB SER A 28 70.011 14.632 -3.267 1.00 0.00 C ATOM 381 OG SER A 28 70.545 14.762 -1.958 1.00 0.00 O ATOM 0 H SER A 28 69.256 13.713 -5.433 1.00 0.00 H new ATOM 0 HA SER A 28 71.809 14.003 -4.263 1.00 0.00 H new ATOM 0 HB2 SER A 28 70.042 15.592 -3.783 1.00 0.00 H new ATOM 0 HB3 SER A 28 68.965 14.330 -3.218 1.00 0.00 H new ATOM 0 HG SER A 28 70.029 15.429 -1.459 1.00 0.00 H new ATOM 387 N ILE A 29 72.235 11.923 -2.996 1.00 0.00 N ATOM 388 CA ILE A 29 72.501 10.692 -2.261 1.00 0.00 C ATOM 389 C ILE A 29 72.000 10.828 -0.828 1.00 0.00 C ATOM 390 O ILE A 29 72.106 9.895 -0.032 1.00 0.00 O ATOM 391 CB ILE A 29 74.004 10.394 -2.244 1.00 0.00 C ATOM 392 CG1 ILE A 29 74.808 11.672 -1.980 1.00 0.00 C ATOM 393 CG2 ILE A 29 74.428 9.803 -3.592 1.00 0.00 C ATOM 394 CD1 ILE A 29 74.552 12.234 -0.580 1.00 0.00 C ATOM 0 H ILE A 29 73.065 12.413 -3.329 1.00 0.00 H new ATOM 0 HA ILE A 29 71.980 9.873 -2.757 1.00 0.00 H new ATOM 0 HB ILE A 29 74.203 9.680 -1.445 1.00 0.00 H new ATOM 0 HG12 ILE A 29 75.871 11.462 -2.097 1.00 0.00 H new ATOM 0 HG13 ILE A 29 74.548 12.424 -2.725 1.00 0.00 H new ATOM 0 HG21 ILE A 29 75.497 9.592 -3.577 1.00 0.00 H new ATOM 0 HG22 ILE A 29 73.879 8.879 -3.773 1.00 0.00 H new ATOM 0 HG23 ILE A 29 74.210 10.516 -4.387 1.00 0.00 H new ATOM 0 HD11 ILE A 29 75.143 13.139 -0.438 1.00 0.00 H new ATOM 0 HD12 ILE A 29 73.494 12.470 -0.471 1.00 0.00 H new ATOM 0 HD13 ILE A 29 74.837 11.493 0.167 1.00 0.00 H new ATOM 406 N ALA A 30 71.422 11.984 -0.517 1.00 0.00 N ATOM 407 CA ALA A 30 70.891 12.239 0.819 1.00 0.00 C ATOM 408 C ALA A 30 69.372 12.125 0.808 1.00 0.00 C ATOM 409 O ALA A 30 68.746 11.905 1.844 1.00 0.00 O ATOM 410 CB ALA A 30 71.286 13.643 1.282 1.00 0.00 C ATOM 0 H ALA A 30 71.309 12.759 -1.171 1.00 0.00 H new ATOM 0 HA ALA A 30 71.306 11.500 1.504 1.00 0.00 H new ATOM 0 HB1 ALA A 30 70.885 13.823 2.279 1.00 0.00 H new ATOM 0 HB2 ALA A 30 72.373 13.726 1.307 1.00 0.00 H new ATOM 0 HB3 ALA A 30 70.882 14.382 0.590 1.00 0.00 H new ATOM 416 N SER A 31 68.792 12.232 -0.383 1.00 0.00 N ATOM 417 CA SER A 31 67.350 12.081 -0.542 1.00 0.00 C ATOM 418 C SER A 31 66.953 10.608 -0.560 1.00 0.00 C ATOM 419 O SER A 31 65.768 10.276 -0.527 1.00 0.00 O ATOM 420 CB SER A 31 66.885 12.757 -1.834 1.00 0.00 C ATOM 421 OG SER A 31 66.925 14.168 -1.674 1.00 0.00 O ATOM 0 H SER A 31 69.296 12.422 -1.249 1.00 0.00 H new ATOM 0 HA SER A 31 66.866 12.560 0.309 1.00 0.00 H new ATOM 0 HB2 SER A 31 67.524 12.457 -2.664 1.00 0.00 H new ATOM 0 HB3 SER A 31 65.872 12.437 -2.080 1.00 0.00 H new ATOM 0 HG SER A 31 66.629 14.600 -2.502 1.00 0.00 H new ATOM 427 N ASN A 32 67.945 9.729 -0.661 1.00 0.00 N ATOM 428 CA ASN A 32 67.696 8.292 -0.739 1.00 0.00 C ATOM 429 C ASN A 32 68.663 7.547 0.176 1.00 0.00 C ATOM 430 O ASN A 32 69.619 8.127 0.691 1.00 0.00 O ATOM 431 CB ASN A 32 67.862 7.802 -2.183 1.00 0.00 C ATOM 432 CG ASN A 32 67.504 8.913 -3.165 1.00 0.00 C ATOM 433 OD1 ASN A 32 68.391 9.500 -3.786 1.00 0.00 O ATOM 434 ND2 ASN A 32 66.251 9.197 -3.391 1.00 0.00 N ATOM 0 H ASN A 32 68.931 9.987 -0.691 1.00 0.00 H new ATOM 0 HA ASN A 32 66.674 8.095 -0.416 1.00 0.00 H new ATOM 0 HB2 ASN A 32 68.890 7.479 -2.348 1.00 0.00 H new ATOM 0 HB3 ASN A 32 67.224 6.935 -2.356 1.00 0.00 H new ATOM 0 HD21 ASN A 32 66.005 9.906 -4.082 1.00 0.00 H new ATOM 0 HD22 ASN A 32 65.517 8.710 -2.876 1.00 0.00 H new ATOM 441 N TYR A 33 68.361 6.279 0.438 1.00 0.00 N ATOM 442 CA TYR A 33 69.185 5.458 1.318 1.00 0.00 C ATOM 443 C TYR A 33 70.218 4.683 0.505 1.00 0.00 C ATOM 444 O TYR A 33 69.956 4.298 -0.634 1.00 0.00 O ATOM 445 CB TYR A 33 68.293 4.480 2.089 1.00 0.00 C ATOM 446 CG TYR A 33 66.987 5.158 2.434 1.00 0.00 C ATOM 447 CD1 TYR A 33 65.939 5.157 1.506 1.00 0.00 C ATOM 448 CD2 TYR A 33 66.817 5.767 3.683 1.00 0.00 C ATOM 449 CE1 TYR A 33 64.724 5.777 1.822 1.00 0.00 C ATOM 450 CE2 TYR A 33 65.620 6.430 3.980 1.00 0.00 C ATOM 451 CZ TYR A 33 64.562 6.406 3.062 1.00 0.00 C ATOM 452 OH TYR A 33 63.370 7.030 3.369 1.00 0.00 O ATOM 0 H TYR A 33 67.549 5.797 0.052 1.00 0.00 H new ATOM 0 HA TYR A 33 69.708 6.106 2.021 1.00 0.00 H new ATOM 0 HB2 TYR A 33 68.106 3.590 1.488 1.00 0.00 H new ATOM 0 HB3 TYR A 33 68.796 4.151 2.998 1.00 0.00 H new ATOM 0 HD1 TYR A 33 66.068 4.678 0.547 1.00 0.00 H new ATOM 0 HD2 TYR A 33 67.608 5.725 4.417 1.00 0.00 H new ATOM 0 HE1 TYR A 33 63.912 5.770 1.110 1.00 0.00 H new ATOM 0 HE2 TYR A 33 65.513 6.959 4.915 1.00 0.00 H new ATOM 0 HH TYR A 33 63.425 7.415 4.269 1.00 0.00 H new ATOM 462 N VAL A 34 71.389 4.464 1.094 1.00 0.00 N ATOM 463 CA VAL A 34 72.469 3.739 0.431 1.00 0.00 C ATOM 464 C VAL A 34 72.926 2.581 1.313 1.00 0.00 C ATOM 465 O VAL A 34 73.156 2.760 2.509 1.00 0.00 O ATOM 466 CB VAL A 34 73.632 4.698 0.168 1.00 0.00 C ATOM 467 CG1 VAL A 34 74.709 4.020 -0.687 1.00 0.00 C ATOM 468 CG2 VAL A 34 73.093 5.934 -0.554 1.00 0.00 C ATOM 0 H VAL A 34 71.616 4.781 2.037 1.00 0.00 H new ATOM 0 HA VAL A 34 72.116 3.337 -0.519 1.00 0.00 H new ATOM 0 HB VAL A 34 74.085 4.986 1.116 1.00 0.00 H new ATOM 0 HG11 VAL A 34 75.527 4.718 -0.863 1.00 0.00 H new ATOM 0 HG12 VAL A 34 75.088 3.141 -0.165 1.00 0.00 H new ATOM 0 HG13 VAL A 34 74.279 3.718 -1.642 1.00 0.00 H new ATOM 0 HG21 VAL A 34 73.911 6.627 -0.748 1.00 0.00 H new ATOM 0 HG22 VAL A 34 72.639 5.634 -1.499 1.00 0.00 H new ATOM 0 HG23 VAL A 34 72.344 6.422 0.070 1.00 0.00 H new ATOM 478 N GLN A 35 73.185 1.433 0.694 1.00 0.00 N ATOM 479 CA GLN A 35 73.643 0.253 1.423 1.00 0.00 C ATOM 480 C GLN A 35 74.944 -0.248 0.807 1.00 0.00 C ATOM 481 O GLN A 35 75.188 -0.033 -0.380 1.00 0.00 O ATOM 482 CB GLN A 35 72.600 -0.863 1.334 1.00 0.00 C ATOM 483 CG GLN A 35 71.278 -0.391 1.943 1.00 0.00 C ATOM 484 CD GLN A 35 70.201 -1.453 1.744 1.00 0.00 C ATOM 485 OE1 GLN A 35 69.773 -1.699 0.616 1.00 0.00 O ATOM 486 NE2 GLN A 35 69.737 -2.103 2.776 1.00 0.00 N ATOM 0 H GLN A 35 73.086 1.294 -0.312 1.00 0.00 H new ATOM 0 HA GLN A 35 73.797 0.525 2.467 1.00 0.00 H new ATOM 0 HB2 GLN A 35 72.449 -1.149 0.293 1.00 0.00 H new ATOM 0 HB3 GLN A 35 72.957 -1.749 1.860 1.00 0.00 H new ATOM 0 HG2 GLN A 35 71.410 -0.190 3.006 1.00 0.00 H new ATOM 0 HG3 GLN A 35 70.968 0.545 1.478 1.00 0.00 H new ATOM 0 HE21 GLN A 35 70.093 -1.898 3.710 1.00 0.00 H new ATOM 0 HE22 GLN A 35 69.019 -2.816 2.649 1.00 0.00 H new ATOM 495 N TRP A 36 75.813 -0.832 1.630 1.00 0.00 N ATOM 496 CA TRP A 36 77.105 -1.317 1.149 1.00 0.00 C ATOM 497 C TRP A 36 77.219 -2.828 1.319 1.00 0.00 C ATOM 498 O TRP A 36 76.720 -3.389 2.294 1.00 0.00 O ATOM 499 CB TRP A 36 78.236 -0.635 1.918 1.00 0.00 C ATOM 500 CG TRP A 36 78.092 0.850 1.801 1.00 0.00 C ATOM 501 CD1 TRP A 36 77.131 1.592 2.399 1.00 0.00 C ATOM 502 CD2 TRP A 36 78.901 1.783 1.026 1.00 0.00 C ATOM 503 NE1 TRP A 36 77.309 2.921 2.058 1.00 0.00 N ATOM 504 CE2 TRP A 36 78.380 3.091 1.204 1.00 0.00 C ATOM 505 CE3 TRP A 36 80.049 1.635 0.229 1.00 0.00 C ATOM 506 CZ2 TRP A 36 78.978 4.206 0.605 1.00 0.00 C ATOM 507 CZ3 TRP A 36 80.627 2.743 -0.405 1.00 0.00 C ATOM 508 CH2 TRP A 36 80.113 4.029 -0.195 1.00 0.00 C ATOM 0 H TRP A 36 75.648 -0.980 2.626 1.00 0.00 H new ATOM 0 HA TRP A 36 77.183 -1.078 0.088 1.00 0.00 H new ATOM 0 HB2 TRP A 36 78.209 -0.933 2.966 1.00 0.00 H new ATOM 0 HB3 TRP A 36 79.201 -0.950 1.522 1.00 0.00 H new ATOM 0 HD1 TRP A 36 76.351 1.208 3.039 1.00 0.00 H new ATOM 0 HE1 TRP A 36 76.721 3.682 2.396 1.00 0.00 H new ATOM 0 HE3 TRP A 36 80.490 0.657 0.104 1.00 0.00 H new ATOM 0 HZ2 TRP A 36 78.568 5.193 0.759 1.00 0.00 H new ATOM 0 HZ3 TRP A 36 81.474 2.604 -1.060 1.00 0.00 H new ATOM 0 HH2 TRP A 36 80.592 4.883 -0.650 1.00 0.00 H new ATOM 519 N TYR A 37 77.967 -3.460 0.419 1.00 0.00 N ATOM 520 CA TYR A 37 78.157 -4.907 0.442 1.00 0.00 C ATOM 521 C TYR A 37 79.545 -5.250 -0.095 1.00 0.00 C ATOM 522 O TYR A 37 80.125 -4.483 -0.863 1.00 0.00 O ATOM 523 CB TYR A 37 77.038 -5.619 -0.332 1.00 0.00 C ATOM 524 CG TYR A 37 77.446 -5.927 -1.753 1.00 0.00 C ATOM 525 CD1 TYR A 37 78.328 -6.984 -2.004 1.00 0.00 C ATOM 526 CD2 TYR A 37 77.038 -5.085 -2.792 1.00 0.00 C ATOM 527 CE1 TYR A 37 78.776 -7.224 -3.308 1.00 0.00 C ATOM 528 CE2 TYR A 37 77.399 -5.391 -4.110 1.00 0.00 C ATOM 529 CZ TYR A 37 78.303 -6.432 -4.362 1.00 0.00 C ATOM 530 OH TYR A 37 78.683 -6.720 -5.657 1.00 0.00 O ATOM 0 H TYR A 37 78.455 -2.988 -0.342 1.00 0.00 H new ATOM 0 HA TYR A 37 78.098 -5.265 1.470 1.00 0.00 H new ATOM 0 HB2 TYR A 37 76.775 -6.545 0.179 1.00 0.00 H new ATOM 0 HB3 TYR A 37 76.145 -4.993 -0.338 1.00 0.00 H new ATOM 0 HD1 TYR A 37 78.662 -7.614 -1.193 1.00 0.00 H new ATOM 0 HD2 TYR A 37 76.449 -4.205 -2.580 1.00 0.00 H new ATOM 0 HE1 TYR A 37 79.484 -8.017 -3.501 1.00 0.00 H new ATOM 0 HE2 TYR A 37 76.982 -4.826 -4.930 1.00 0.00 H new ATOM 0 HH TYR A 37 79.497 -7.265 -5.645 1.00 0.00 H new ATOM 540 N GLN A 38 80.080 -6.395 0.320 1.00 0.00 N ATOM 541 CA GLN A 38 81.434 -6.799 -0.052 1.00 0.00 C ATOM 542 C GLN A 38 81.358 -8.122 -0.810 1.00 0.00 C ATOM 543 O GLN A 38 80.498 -8.955 -0.521 1.00 0.00 O ATOM 544 CB GLN A 38 82.274 -6.959 1.228 1.00 0.00 C ATOM 545 CG GLN A 38 83.363 -5.884 1.363 1.00 0.00 C ATOM 546 CD GLN A 38 84.681 -6.356 0.755 1.00 0.00 C ATOM 547 OE1 GLN A 38 84.748 -7.423 0.145 1.00 0.00 O ATOM 548 NE2 GLN A 38 85.763 -5.659 0.967 1.00 0.00 N ATOM 0 H GLN A 38 79.594 -7.063 0.918 1.00 0.00 H new ATOM 0 HA GLN A 38 81.900 -6.048 -0.690 1.00 0.00 H new ATOM 0 HB2 GLN A 38 81.617 -6.915 2.096 1.00 0.00 H new ATOM 0 HB3 GLN A 38 82.740 -7.944 1.231 1.00 0.00 H new ATOM 0 HG2 GLN A 38 83.038 -4.969 0.868 1.00 0.00 H new ATOM 0 HG3 GLN A 38 83.511 -5.642 2.415 1.00 0.00 H new ATOM 0 HE21 GLN A 38 85.709 -4.775 1.472 1.00 0.00 H new ATOM 0 HE22 GLN A 38 86.663 -5.998 0.627 1.00 0.00 H new ATOM 557 N GLN A 39 82.280 -8.330 -1.749 1.00 0.00 N ATOM 558 CA GLN A 39 82.308 -9.570 -2.523 1.00 0.00 C ATOM 559 C GLN A 39 83.503 -10.408 -2.077 1.00 0.00 C ATOM 560 O GLN A 39 84.635 -10.185 -2.507 1.00 0.00 O ATOM 561 CB GLN A 39 82.430 -9.255 -4.023 1.00 0.00 C ATOM 562 CG GLN A 39 81.652 -10.246 -4.905 1.00 0.00 C ATOM 563 CD GLN A 39 80.357 -9.622 -5.419 1.00 0.00 C ATOM 564 OE1 GLN A 39 80.394 -8.670 -6.199 1.00 0.00 O ATOM 565 NE2 GLN A 39 79.208 -10.097 -5.024 1.00 0.00 N ATOM 0 H GLN A 39 83.012 -7.662 -1.991 1.00 0.00 H new ATOM 0 HA GLN A 39 81.384 -10.122 -2.354 1.00 0.00 H new ATOM 0 HB2 GLN A 39 82.064 -8.245 -4.209 1.00 0.00 H new ATOM 0 HB3 GLN A 39 83.482 -9.270 -4.308 1.00 0.00 H new ATOM 0 HG2 GLN A 39 82.272 -10.552 -5.748 1.00 0.00 H new ATOM 0 HG3 GLN A 39 81.424 -11.146 -4.333 1.00 0.00 H new ATOM 0 HE21 GLN A 39 79.177 -10.886 -4.378 1.00 0.00 H new ATOM 0 HE22 GLN A 39 78.341 -9.680 -5.361 1.00 0.00 H new ATOM 574 N ARG A 40 83.240 -11.369 -1.197 1.00 0.00 N ATOM 575 CA ARG A 40 84.271 -12.295 -0.741 1.00 0.00 C ATOM 576 C ARG A 40 84.255 -13.580 -1.571 1.00 0.00 C ATOM 577 O ARG A 40 83.280 -14.329 -1.498 1.00 0.00 O ATOM 578 CB ARG A 40 84.028 -12.627 0.732 1.00 0.00 C ATOM 579 CG ARG A 40 85.174 -13.505 1.237 1.00 0.00 C ATOM 580 CD ARG A 40 85.022 -13.740 2.740 1.00 0.00 C ATOM 581 NE ARG A 40 83.974 -14.726 2.979 1.00 0.00 N ATOM 582 CZ ARG A 40 83.316 -14.777 4.132 1.00 0.00 C ATOM 583 NH1 ARG A 40 83.464 -13.834 5.023 1.00 0.00 N ATOM 584 NH2 ARG A 40 82.502 -15.771 4.367 1.00 0.00 N ATOM 0 H ARG A 40 82.320 -11.527 -0.785 1.00 0.00 H new ATOM 0 HA ARG A 40 85.247 -11.825 -0.861 1.00 0.00 H new ATOM 0 HB2 ARG A 40 83.967 -11.711 1.320 1.00 0.00 H new ATOM 0 HB3 ARG A 40 83.076 -13.145 0.850 1.00 0.00 H new ATOM 0 HG2 ARG A 40 85.174 -14.458 0.709 1.00 0.00 H new ATOM 0 HG3 ARG A 40 86.131 -13.025 1.029 1.00 0.00 H new ATOM 0 HD2 ARG A 40 85.965 -14.088 3.161 1.00 0.00 H new ATOM 0 HD3 ARG A 40 84.776 -12.804 3.241 1.00 0.00 H new ATOM 0 HE ARG A 40 83.741 -15.393 2.243 1.00 0.00 H new ATOM 0 HH11 ARG A 40 84.089 -13.050 4.837 1.00 0.00 H new ATOM 0 HH12 ARG A 40 82.955 -13.882 5.905 1.00 0.00 H new ATOM 0 HH21 ARG A 40 82.375 -16.502 3.667 1.00 0.00 H new ATOM 0 HH22 ARG A 40 81.994 -15.816 5.250 1.00 0.00 H new ATOM 598 N PRO A 41 85.296 -13.909 -2.295 1.00 0.00 N ATOM 599 CA PRO A 41 85.336 -15.193 -3.051 1.00 0.00 C ATOM 600 C PRO A 41 85.191 -16.391 -2.116 1.00 0.00 C ATOM 601 O PRO A 41 85.801 -16.427 -1.047 1.00 0.00 O ATOM 602 CB PRO A 41 86.693 -15.211 -3.769 1.00 0.00 C ATOM 603 CG PRO A 41 87.356 -13.893 -3.512 1.00 0.00 C ATOM 604 CD PRO A 41 86.530 -13.125 -2.475 1.00 0.00 C ATOM 0 HA PRO A 41 84.510 -15.263 -3.758 1.00 0.00 H new ATOM 0 HB2 PRO A 41 87.311 -16.029 -3.400 1.00 0.00 H new ATOM 0 HB3 PRO A 41 86.559 -15.370 -4.839 1.00 0.00 H new ATOM 0 HG2 PRO A 41 88.372 -14.045 -3.149 1.00 0.00 H new ATOM 0 HG3 PRO A 41 87.430 -13.320 -4.436 1.00 0.00 H new ATOM 0 HD2 PRO A 41 87.073 -13.027 -1.535 1.00 0.00 H new ATOM 0 HD3 PRO A 41 86.307 -12.116 -2.821 1.00 0.00 H new ATOM 612 N GLY A 42 84.528 -17.438 -2.598 1.00 0.00 N ATOM 613 CA GLY A 42 84.359 -18.658 -1.815 1.00 0.00 C ATOM 614 C GLY A 42 83.077 -18.603 -0.990 1.00 0.00 C ATOM 615 O GLY A 42 82.703 -19.581 -0.343 1.00 0.00 O ATOM 0 H GLY A 42 84.100 -17.467 -3.524 1.00 0.00 H new ATOM 0 HA2 GLY A 42 84.331 -19.521 -2.480 1.00 0.00 H new ATOM 0 HA3 GLY A 42 85.216 -18.792 -1.155 1.00 0.00 H new ATOM 619 N SER A 43 82.417 -17.448 -1.005 1.00 0.00 N ATOM 620 CA SER A 43 81.170 -17.271 -0.268 1.00 0.00 C ATOM 621 C SER A 43 80.294 -16.217 -0.939 1.00 0.00 C ATOM 622 O SER A 43 80.767 -15.443 -1.771 1.00 0.00 O ATOM 623 CB SER A 43 81.464 -16.832 1.168 1.00 0.00 C ATOM 624 OG SER A 43 82.358 -15.728 1.143 1.00 0.00 O ATOM 0 H SER A 43 82.725 -16.622 -1.519 1.00 0.00 H new ATOM 0 HA SER A 43 80.643 -18.225 -0.261 1.00 0.00 H new ATOM 0 HB2 SER A 43 80.539 -16.555 1.673 1.00 0.00 H new ATOM 0 HB3 SER A 43 81.901 -17.657 1.731 1.00 0.00 H new ATOM 0 HG SER A 43 81.884 -14.917 1.423 1.00 0.00 H new ATOM 630 N SER A 44 79.016 -16.190 -0.572 1.00 0.00 N ATOM 631 CA SER A 44 78.087 -15.237 -1.169 1.00 0.00 C ATOM 632 C SER A 44 78.360 -13.835 -0.627 1.00 0.00 C ATOM 633 O SER A 44 78.805 -13.689 0.513 1.00 0.00 O ATOM 634 CB SER A 44 76.641 -15.661 -0.887 1.00 0.00 C ATOM 635 OG SER A 44 76.113 -16.301 -2.040 1.00 0.00 O ATOM 0 H SER A 44 78.604 -16.809 0.127 1.00 0.00 H new ATOM 0 HA SER A 44 78.232 -15.223 -2.249 1.00 0.00 H new ATOM 0 HB2 SER A 44 76.607 -16.337 -0.032 1.00 0.00 H new ATOM 0 HB3 SER A 44 76.037 -14.791 -0.630 1.00 0.00 H new ATOM 0 HG SER A 44 75.189 -16.577 -1.867 1.00 0.00 H new ATOM 641 N PRO A 45 77.945 -12.818 -1.335 1.00 0.00 N ATOM 642 CA PRO A 45 78.144 -11.413 -0.881 1.00 0.00 C ATOM 643 C PRO A 45 77.492 -11.184 0.479 1.00 0.00 C ATOM 644 O PRO A 45 76.454 -11.773 0.777 1.00 0.00 O ATOM 645 CB PRO A 45 77.490 -10.542 -1.964 1.00 0.00 C ATOM 646 CG PRO A 45 76.956 -11.458 -3.024 1.00 0.00 C ATOM 647 CD PRO A 45 77.408 -12.887 -2.705 1.00 0.00 C ATOM 0 HA PRO A 45 79.199 -11.171 -0.754 1.00 0.00 H new ATOM 0 HB2 PRO A 45 76.687 -9.941 -1.538 1.00 0.00 H new ATOM 0 HB3 PRO A 45 78.217 -9.849 -2.388 1.00 0.00 H new ATOM 0 HG2 PRO A 45 75.868 -11.404 -3.058 1.00 0.00 H new ATOM 0 HG3 PRO A 45 77.321 -11.155 -4.005 1.00 0.00 H new ATOM 0 HD2 PRO A 45 76.576 -13.588 -2.768 1.00 0.00 H new ATOM 0 HD3 PRO A 45 78.166 -13.228 -3.410 1.00 0.00 H new ATOM 655 N THR A 46 78.081 -10.300 1.279 1.00 0.00 N ATOM 656 CA THR A 46 77.531 -9.970 2.590 1.00 0.00 C ATOM 657 C THR A 46 77.368 -8.461 2.739 1.00 0.00 C ATOM 658 O THR A 46 78.304 -7.701 2.495 1.00 0.00 O ATOM 659 CB THR A 46 78.465 -10.496 3.682 1.00 0.00 C ATOM 660 OG1 THR A 46 78.667 -11.890 3.497 1.00 0.00 O ATOM 661 CG2 THR A 46 77.837 -10.245 5.055 1.00 0.00 C ATOM 0 H THR A 46 78.938 -9.800 1.043 1.00 0.00 H new ATOM 0 HA THR A 46 76.551 -10.437 2.687 1.00 0.00 H new ATOM 0 HB THR A 46 79.423 -9.980 3.624 1.00 0.00 H new ATOM 0 HG1 THR A 46 79.266 -12.229 4.194 1.00 0.00 H new ATOM 0 HG21 THR A 46 78.502 -10.620 5.833 1.00 0.00 H new ATOM 0 HG22 THR A 46 77.682 -9.175 5.194 1.00 0.00 H new ATOM 0 HG23 THR A 46 76.879 -10.761 5.117 1.00 0.00 H new ATOM 669 N THR A 47 76.157 -8.033 3.083 1.00 0.00 N ATOM 670 CA THR A 47 75.889 -6.611 3.265 1.00 0.00 C ATOM 671 C THR A 47 76.828 -6.034 4.318 1.00 0.00 C ATOM 672 O THR A 47 76.839 -6.486 5.464 1.00 0.00 O ATOM 673 CB THR A 47 74.432 -6.397 3.693 1.00 0.00 C ATOM 674 OG1 THR A 47 73.584 -7.155 2.842 1.00 0.00 O ATOM 675 CG2 THR A 47 74.028 -4.920 3.604 1.00 0.00 C ATOM 0 H THR A 47 75.354 -8.643 3.240 1.00 0.00 H new ATOM 0 HA THR A 47 76.057 -6.099 2.318 1.00 0.00 H new ATOM 0 HB THR A 47 74.333 -6.718 4.730 1.00 0.00 H new ATOM 0 HG1 THR A 47 72.650 -7.025 3.110 1.00 0.00 H new ATOM 0 HG21 THR A 47 72.989 -4.808 3.915 1.00 0.00 H new ATOM 0 HG22 THR A 47 74.669 -4.328 4.257 1.00 0.00 H new ATOM 0 HG23 THR A 47 74.139 -4.574 2.576 1.00 0.00 H new ATOM 683 N VAL A 48 77.560 -4.988 3.947 1.00 0.00 N ATOM 684 CA VAL A 48 78.526 -4.385 4.860 1.00 0.00 C ATOM 685 C VAL A 48 77.818 -3.391 5.775 1.00 0.00 C ATOM 686 O VAL A 48 78.071 -3.363 6.979 1.00 0.00 O ATOM 687 CB VAL A 48 79.651 -3.700 4.078 1.00 0.00 C ATOM 688 CG1 VAL A 48 80.681 -3.110 5.049 1.00 0.00 C ATOM 689 CG2 VAL A 48 80.336 -4.699 3.131 1.00 0.00 C ATOM 0 H VAL A 48 77.504 -4.544 3.030 1.00 0.00 H new ATOM 0 HA VAL A 48 78.973 -5.168 5.472 1.00 0.00 H new ATOM 0 HB VAL A 48 79.219 -2.896 3.482 1.00 0.00 H new ATOM 0 HG11 VAL A 48 81.477 -2.625 4.484 1.00 0.00 H new ATOM 0 HG12 VAL A 48 80.195 -2.378 5.694 1.00 0.00 H new ATOM 0 HG13 VAL A 48 81.104 -3.908 5.660 1.00 0.00 H new ATOM 0 HG21 VAL A 48 81.132 -4.194 2.584 1.00 0.00 H new ATOM 0 HG22 VAL A 48 80.758 -5.520 3.711 1.00 0.00 H new ATOM 0 HG23 VAL A 48 79.604 -5.092 2.426 1.00 0.00 H new ATOM 699 N ILE A 49 76.908 -2.601 5.215 1.00 0.00 N ATOM 700 CA ILE A 49 76.149 -1.644 6.012 1.00 0.00 C ATOM 701 C ILE A 49 74.706 -1.604 5.527 1.00 0.00 C ATOM 702 O ILE A 49 74.412 -1.964 4.388 1.00 0.00 O ATOM 703 CB ILE A 49 76.834 -0.272 5.920 1.00 0.00 C ATOM 704 CG1 ILE A 49 77.886 -0.163 7.031 1.00 0.00 C ATOM 705 CG2 ILE A 49 75.853 0.902 6.004 1.00 0.00 C ATOM 706 CD1 ILE A 49 78.551 1.215 7.047 1.00 0.00 C ATOM 0 H ILE A 49 76.679 -2.604 4.221 1.00 0.00 H new ATOM 0 HA ILE A 49 76.128 -1.942 7.060 1.00 0.00 H new ATOM 0 HB ILE A 49 77.303 -0.207 4.938 1.00 0.00 H new ATOM 0 HG12 ILE A 49 77.417 -0.352 7.996 1.00 0.00 H new ATOM 0 HG13 ILE A 49 78.645 -0.932 6.890 1.00 0.00 H new ATOM 0 HG21 ILE A 49 76.402 1.841 5.933 1.00 0.00 H new ATOM 0 HG22 ILE A 49 75.137 0.837 5.185 1.00 0.00 H new ATOM 0 HG23 ILE A 49 75.321 0.864 6.955 1.00 0.00 H new ATOM 0 HD11 ILE A 49 79.290 1.253 7.847 1.00 0.00 H new ATOM 0 HD12 ILE A 49 79.043 1.393 6.091 1.00 0.00 H new ATOM 0 HD13 ILE A 49 77.795 1.982 7.214 1.00 0.00 H new ATOM 718 N TYR A 50 73.871 -0.951 6.328 1.00 0.00 N ATOM 719 CA TYR A 50 72.447 -0.840 6.027 1.00 0.00 C ATOM 720 C TYR A 50 71.976 0.592 6.253 1.00 0.00 C ATOM 721 O TYR A 50 72.430 1.272 7.171 1.00 0.00 O ATOM 722 CB TYR A 50 71.661 -1.822 6.908 1.00 0.00 C ATOM 723 CG TYR A 50 70.584 -2.527 6.114 1.00 0.00 C ATOM 724 CD1 TYR A 50 69.370 -1.885 5.842 1.00 0.00 C ATOM 725 CD2 TYR A 50 70.841 -3.790 5.565 1.00 0.00 C ATOM 726 CE1 TYR A 50 68.392 -2.530 5.075 1.00 0.00 C ATOM 727 CE2 TYR A 50 69.857 -4.443 4.815 1.00 0.00 C ATOM 728 CZ TYR A 50 68.625 -3.820 4.586 1.00 0.00 C ATOM 729 OH TYR A 50 67.653 -4.464 3.848 1.00 0.00 O ATOM 0 H TYR A 50 74.156 -0.490 7.192 1.00 0.00 H new ATOM 0 HA TYR A 50 72.273 -1.092 4.981 1.00 0.00 H new ATOM 0 HB2 TYR A 50 72.343 -2.558 7.335 1.00 0.00 H new ATOM 0 HB3 TYR A 50 71.209 -1.285 7.742 1.00 0.00 H new ATOM 0 HD1 TYR A 50 69.188 -0.891 6.224 1.00 0.00 H new ATOM 0 HD2 TYR A 50 71.801 -4.260 5.721 1.00 0.00 H new ATOM 0 HE1 TYR A 50 67.458 -2.032 4.861 1.00 0.00 H new ATOM 0 HE2 TYR A 50 70.048 -5.427 4.413 1.00 0.00 H new ATOM 0 HH TYR A 50 67.976 -5.351 3.584 1.00 0.00 H new ATOM 739 N GLU A 51 71.075 1.037 5.385 1.00 0.00 N ATOM 740 CA GLU A 51 70.513 2.380 5.466 1.00 0.00 C ATOM 741 C GLU A 51 71.609 3.414 5.705 1.00 0.00 C ATOM 742 O GLU A 51 71.349 4.502 6.218 1.00 0.00 O ATOM 743 CB GLU A 51 69.470 2.432 6.590 1.00 0.00 C ATOM 744 CG GLU A 51 68.323 3.377 6.219 1.00 0.00 C ATOM 745 CD GLU A 51 67.258 3.362 7.310 1.00 0.00 C ATOM 746 OE1 GLU A 51 67.443 2.646 8.281 1.00 0.00 O ATOM 747 OE2 GLU A 51 66.295 4.099 7.174 1.00 0.00 O ATOM 0 H GLU A 51 70.715 0.481 4.609 1.00 0.00 H new ATOM 0 HA GLU A 51 70.031 2.618 4.518 1.00 0.00 H new ATOM 0 HB2 GLU A 51 69.078 1.432 6.776 1.00 0.00 H new ATOM 0 HB3 GLU A 51 69.940 2.768 7.514 1.00 0.00 H new ATOM 0 HG2 GLU A 51 68.704 4.389 6.086 1.00 0.00 H new ATOM 0 HG3 GLU A 51 67.885 3.074 5.268 1.00 0.00 H new ATOM 754 N ASP A 52 72.842 3.061 5.359 1.00 0.00 N ATOM 755 CA ASP A 52 73.972 3.966 5.535 1.00 0.00 C ATOM 756 C ASP A 52 73.965 4.561 6.940 1.00 0.00 C ATOM 757 O ASP A 52 74.582 5.599 7.177 1.00 0.00 O ATOM 758 CB ASP A 52 73.913 5.077 4.474 1.00 0.00 C ATOM 759 CG ASP A 52 75.292 5.386 3.893 1.00 0.00 C ATOM 760 OD1 ASP A 52 76.279 4.958 4.472 1.00 0.00 O ATOM 761 OD2 ASP A 52 75.343 5.962 2.818 1.00 0.00 O ATOM 0 H ASP A 52 73.084 2.156 4.956 1.00 0.00 H new ATOM 0 HA ASP A 52 74.900 3.408 5.410 1.00 0.00 H new ATOM 0 HB2 ASP A 52 73.240 4.776 3.671 1.00 0.00 H new ATOM 0 HB3 ASP A 52 73.496 5.981 4.918 1.00 0.00 H new ATOM 766 N ASN A 53 73.264 3.909 7.866 1.00 0.00 N ATOM 767 CA ASN A 53 73.169 4.393 9.240 1.00 0.00 C ATOM 768 C ASN A 53 73.895 3.450 10.195 1.00 0.00 C ATOM 769 O ASN A 53 74.441 3.879 11.212 1.00 0.00 O ATOM 770 CB ASN A 53 71.697 4.520 9.643 1.00 0.00 C ATOM 771 CG ASN A 53 71.079 5.740 8.965 1.00 0.00 C ATOM 772 OD1 ASN A 53 69.959 5.670 8.460 1.00 0.00 O ATOM 773 ND2 ASN A 53 71.721 6.876 8.984 1.00 0.00 N ATOM 0 H ASN A 53 72.754 3.044 7.689 1.00 0.00 H new ATOM 0 HA ASN A 53 73.644 5.372 9.299 1.00 0.00 H new ATOM 0 HB2 ASN A 53 71.153 3.619 9.358 1.00 0.00 H new ATOM 0 HB3 ASN A 53 71.614 4.613 10.726 1.00 0.00 H new ATOM 0 HD21 ASN A 53 71.295 7.710 8.579 1.00 0.00 H new ATOM 0 HD22 ASN A 53 72.649 6.930 9.403 1.00 0.00 H new ATOM 780 N GLN A 54 73.828 2.154 9.909 1.00 0.00 N ATOM 781 CA GLN A 54 74.440 1.164 10.788 1.00 0.00 C ATOM 782 C GLN A 54 74.564 -0.175 10.066 1.00 0.00 C ATOM 783 O GLN A 54 74.350 -0.260 8.857 1.00 0.00 O ATOM 784 CB GLN A 54 73.627 1.018 12.082 1.00 0.00 C ATOM 785 CG GLN A 54 72.172 1.433 11.849 1.00 0.00 C ATOM 786 CD GLN A 54 71.282 0.896 12.965 1.00 0.00 C ATOM 787 OE1 GLN A 54 70.512 1.645 13.565 1.00 0.00 O ATOM 788 NE2 GLN A 54 71.361 -0.361 13.304 1.00 0.00 N ATOM 0 H GLN A 54 73.363 1.768 9.087 1.00 0.00 H new ATOM 0 HA GLN A 54 75.441 1.503 11.056 1.00 0.00 H new ATOM 0 HB2 GLN A 54 73.666 -0.015 12.429 1.00 0.00 H new ATOM 0 HB3 GLN A 54 74.066 1.634 12.866 1.00 0.00 H new ATOM 0 HG2 GLN A 54 72.099 2.520 11.808 1.00 0.00 H new ATOM 0 HG3 GLN A 54 71.828 1.054 10.887 1.00 0.00 H new ATOM 0 HE21 GLN A 54 71.999 -0.984 12.808 1.00 0.00 H new ATOM 0 HE22 GLN A 54 70.785 -0.721 14.065 1.00 0.00 H new ATOM 797 N ARG A 55 74.893 -1.222 10.818 1.00 0.00 N ATOM 798 CA ARG A 55 75.066 -2.560 10.262 1.00 0.00 C ATOM 799 C ARG A 55 74.330 -3.574 11.135 1.00 0.00 C ATOM 800 O ARG A 55 74.251 -3.385 12.349 1.00 0.00 O ATOM 801 CB ARG A 55 76.560 -2.895 10.220 1.00 0.00 C ATOM 802 CG ARG A 55 77.153 -2.837 11.635 1.00 0.00 C ATOM 803 CD ARG A 55 78.581 -2.284 11.613 1.00 0.00 C ATOM 804 NE ARG A 55 79.033 -2.057 12.980 1.00 0.00 N ATOM 805 CZ ARG A 55 78.629 -0.997 13.673 1.00 0.00 C ATOM 806 NH1 ARG A 55 77.517 -1.050 14.354 1.00 0.00 N ATOM 807 NH2 ARG A 55 79.392 0.060 13.746 1.00 0.00 N ATOM 0 H ARG A 55 75.046 -1.167 11.825 1.00 0.00 H new ATOM 0 HA ARG A 55 74.657 -2.597 9.252 1.00 0.00 H new ATOM 0 HB2 ARG A 55 76.706 -3.889 9.796 1.00 0.00 H new ATOM 0 HB3 ARG A 55 77.080 -2.192 9.570 1.00 0.00 H new ATOM 0 HG2 ARG A 55 76.527 -2.210 12.269 1.00 0.00 H new ATOM 0 HG3 ARG A 55 77.153 -3.835 12.074 1.00 0.00 H new ATOM 0 HD2 ARG A 55 79.247 -2.985 11.110 1.00 0.00 H new ATOM 0 HD3 ARG A 55 78.613 -1.352 11.048 1.00 0.00 H new ATOM 0 HE ARG A 55 79.671 -2.724 13.413 1.00 0.00 H new ATOM 0 HH11 ARG A 55 76.959 -1.904 14.354 1.00 0.00 H new ATOM 0 HH12 ARG A 55 77.206 -0.237 14.886 1.00 0.00 H new ATOM 0 HH21 ARG A 55 80.295 0.071 13.272 1.00 0.00 H new ATOM 0 HH22 ARG A 55 79.085 0.875 14.277 1.00 0.00 H new ATOM 821 N PRO A 56 73.937 -4.700 10.602 1.00 0.00 N ATOM 822 CA PRO A 56 73.179 -5.716 11.385 1.00 0.00 C ATOM 823 C PRO A 56 73.933 -6.095 12.654 1.00 0.00 C ATOM 824 O PRO A 56 75.143 -5.894 12.740 1.00 0.00 O ATOM 825 CB PRO A 56 73.036 -6.918 10.441 1.00 0.00 C ATOM 826 CG PRO A 56 73.741 -6.562 9.170 1.00 0.00 C ATOM 827 CD PRO A 56 73.946 -5.045 9.170 1.00 0.00 C ATOM 0 HA PRO A 56 72.209 -5.343 11.713 1.00 0.00 H new ATOM 0 HB2 PRO A 56 73.472 -7.812 10.886 1.00 0.00 H new ATOM 0 HB3 PRO A 56 71.985 -7.136 10.251 1.00 0.00 H new ATOM 0 HG2 PRO A 56 74.698 -7.079 9.104 1.00 0.00 H new ATOM 0 HG3 PRO A 56 73.153 -6.870 8.306 1.00 0.00 H new ATOM 0 HD2 PRO A 56 74.887 -4.767 8.695 1.00 0.00 H new ATOM 0 HD3 PRO A 56 73.152 -4.532 8.628 1.00 0.00 H new ATOM 835 N SER A 57 73.213 -6.537 13.678 1.00 0.00 N ATOM 836 CA SER A 57 73.876 -6.940 14.912 1.00 0.00 C ATOM 837 C SER A 57 74.683 -8.215 14.689 1.00 0.00 C ATOM 838 O SER A 57 74.181 -9.182 14.117 1.00 0.00 O ATOM 839 CB SER A 57 72.839 -7.159 16.015 1.00 0.00 C ATOM 840 OG SER A 57 72.483 -5.903 16.575 1.00 0.00 O ATOM 0 H SER A 57 72.197 -6.624 13.682 1.00 0.00 H new ATOM 0 HA SER A 57 74.558 -6.147 15.219 1.00 0.00 H new ATOM 0 HB2 SER A 57 71.957 -7.653 15.609 1.00 0.00 H new ATOM 0 HB3 SER A 57 73.244 -7.814 16.787 1.00 0.00 H new ATOM 0 HG SER A 57 71.817 -6.037 17.282 1.00 0.00 H new ATOM 846 N GLY A 58 75.863 -8.272 15.299 1.00 0.00 N ATOM 847 CA GLY A 58 76.701 -9.465 15.235 1.00 0.00 C ATOM 848 C GLY A 58 77.844 -9.278 14.242 1.00 0.00 C ATOM 849 O GLY A 58 78.959 -9.741 14.481 1.00 0.00 O ATOM 0 H GLY A 58 76.261 -7.506 15.843 1.00 0.00 H new ATOM 0 HA2 GLY A 58 77.105 -9.683 16.223 1.00 0.00 H new ATOM 0 HA3 GLY A 58 76.096 -10.323 14.942 1.00 0.00 H new ATOM 853 N VAL A 59 77.599 -8.536 13.166 1.00 0.00 N ATOM 854 CA VAL A 59 78.637 -8.343 12.160 1.00 0.00 C ATOM 855 C VAL A 59 79.698 -7.373 12.678 1.00 0.00 C ATOM 856 O VAL A 59 79.360 -6.400 13.352 1.00 0.00 O ATOM 857 CB VAL A 59 78.027 -7.795 10.867 1.00 0.00 C ATOM 858 CG1 VAL A 59 76.858 -8.695 10.459 1.00 0.00 C ATOM 859 CG2 VAL A 59 77.559 -6.348 11.061 1.00 0.00 C ATOM 0 H VAL A 59 76.713 -8.069 12.971 1.00 0.00 H new ATOM 0 HA VAL A 59 79.103 -9.307 11.954 1.00 0.00 H new ATOM 0 HB VAL A 59 78.778 -7.793 10.077 1.00 0.00 H new ATOM 0 HG11 VAL A 59 76.412 -8.318 9.539 1.00 0.00 H new ATOM 0 HG12 VAL A 59 77.220 -9.710 10.297 1.00 0.00 H new ATOM 0 HG13 VAL A 59 76.108 -8.699 11.250 1.00 0.00 H new ATOM 0 HG21 VAL A 59 77.129 -5.977 10.131 1.00 0.00 H new ATOM 0 HG22 VAL A 59 76.807 -6.311 11.849 1.00 0.00 H new ATOM 0 HG23 VAL A 59 78.409 -5.725 11.341 1.00 0.00 H new ATOM 869 N PRO A 60 80.918 -7.475 12.220 1.00 0.00 N ATOM 870 CA PRO A 60 82.000 -6.569 12.698 1.00 0.00 C ATOM 871 C PRO A 60 81.694 -5.109 12.373 1.00 0.00 C ATOM 872 O PRO A 60 80.871 -4.821 11.505 1.00 0.00 O ATOM 873 CB PRO A 60 83.271 -7.053 11.983 1.00 0.00 C ATOM 874 CG PRO A 60 82.872 -8.175 11.077 1.00 0.00 C ATOM 875 CD PRO A 60 81.471 -8.629 11.491 1.00 0.00 C ATOM 0 HA PRO A 60 82.108 -6.605 13.782 1.00 0.00 H new ATOM 0 HB2 PRO A 60 83.724 -6.242 11.413 1.00 0.00 H new ATOM 0 HB3 PRO A 60 84.014 -7.389 12.706 1.00 0.00 H new ATOM 0 HG2 PRO A 60 82.877 -7.848 10.037 1.00 0.00 H new ATOM 0 HG3 PRO A 60 83.580 -9.000 11.155 1.00 0.00 H new ATOM 0 HD2 PRO A 60 80.861 -8.881 10.623 1.00 0.00 H new ATOM 0 HD3 PRO A 60 81.510 -9.517 12.122 1.00 0.00 H new ATOM 883 N ASP A 61 82.274 -4.197 13.151 1.00 0.00 N ATOM 884 CA ASP A 61 82.070 -2.765 12.949 1.00 0.00 C ATOM 885 C ASP A 61 83.288 -2.125 12.291 1.00 0.00 C ATOM 886 O ASP A 61 83.651 -0.990 12.602 1.00 0.00 O ATOM 887 CB ASP A 61 81.780 -2.083 14.287 1.00 0.00 C ATOM 888 CG ASP A 61 82.982 -2.210 15.215 1.00 0.00 C ATOM 889 OD1 ASP A 61 84.025 -2.643 14.752 1.00 0.00 O ATOM 890 OD2 ASP A 61 82.839 -1.882 16.381 1.00 0.00 O ATOM 0 H ASP A 61 82.891 -4.426 13.930 1.00 0.00 H new ATOM 0 HA ASP A 61 81.215 -2.634 12.285 1.00 0.00 H new ATOM 0 HB2 ASP A 61 81.547 -1.031 14.124 1.00 0.00 H new ATOM 0 HB3 ASP A 61 80.904 -2.535 14.751 1.00 0.00 H new ATOM 895 N ARG A 62 83.962 -2.898 11.448 1.00 0.00 N ATOM 896 CA ARG A 62 85.164 -2.414 10.782 1.00 0.00 C ATOM 897 C ARG A 62 84.816 -1.414 9.684 1.00 0.00 C ATOM 898 O ARG A 62 85.718 -0.861 9.056 1.00 0.00 O ATOM 899 CB ARG A 62 85.932 -3.593 10.183 1.00 0.00 C ATOM 900 CG ARG A 62 86.399 -4.513 11.312 1.00 0.00 C ATOM 901 CD ARG A 62 87.160 -5.704 10.725 1.00 0.00 C ATOM 902 NE ARG A 62 88.087 -5.251 9.693 1.00 0.00 N ATOM 903 CZ ARG A 62 87.794 -5.349 8.399 1.00 0.00 C ATOM 904 NH1 ARG A 62 87.592 -6.523 7.868 1.00 0.00 N ATOM 905 NH2 ARG A 62 87.741 -4.277 7.656 1.00 0.00 N ATOM 0 H ARG A 62 83.699 -3.855 11.211 1.00 0.00 H new ATOM 0 HA ARG A 62 85.786 -1.909 11.521 1.00 0.00 H new ATOM 0 HB2 ARG A 62 85.296 -4.143 9.489 1.00 0.00 H new ATOM 0 HB3 ARG A 62 86.788 -3.233 9.613 1.00 0.00 H new ATOM 0 HG2 ARG A 62 87.040 -3.963 12.001 1.00 0.00 H new ATOM 0 HG3 ARG A 62 85.542 -4.864 11.886 1.00 0.00 H new ATOM 0 HD2 ARG A 62 87.707 -6.220 11.514 1.00 0.00 H new ATOM 0 HD3 ARG A 62 86.457 -6.422 10.303 1.00 0.00 H new ATOM 0 HE ARG A 62 88.982 -4.849 9.971 1.00 0.00 H new ATOM 0 HH11 ARG A 62 87.659 -7.362 8.444 1.00 0.00 H new ATOM 0 HH12 ARG A 62 87.367 -6.602 6.876 1.00 0.00 H new ATOM 0 HH21 ARG A 62 87.924 -3.362 8.067 1.00 0.00 H new ATOM 0 HH22 ARG A 62 87.516 -4.355 6.664 1.00 0.00 H new ATOM 919 N PHE A 63 83.535 -1.333 9.331 1.00 0.00 N ATOM 920 CA PHE A 63 83.070 -0.435 8.274 1.00 0.00 C ATOM 921 C PHE A 63 82.037 0.542 8.826 1.00 0.00 C ATOM 922 O PHE A 63 81.234 0.186 9.689 1.00 0.00 O ATOM 923 CB PHE A 63 82.502 -1.226 7.086 1.00 0.00 C ATOM 924 CG PHE A 63 82.290 -2.669 7.477 1.00 0.00 C ATOM 925 CD1 PHE A 63 81.198 -3.023 8.278 1.00 0.00 C ATOM 926 CD2 PHE A 63 83.255 -3.626 7.146 1.00 0.00 C ATOM 927 CE1 PHE A 63 81.025 -4.356 8.672 1.00 0.00 C ATOM 928 CE2 PHE A 63 83.072 -4.962 7.523 1.00 0.00 C ATOM 929 CZ PHE A 63 81.966 -5.324 8.300 1.00 0.00 C ATOM 0 H PHE A 63 82.794 -1.883 9.765 1.00 0.00 H new ATOM 0 HA PHE A 63 83.924 0.137 7.910 1.00 0.00 H new ATOM 0 HB2 PHE A 63 81.558 -0.786 6.764 1.00 0.00 H new ATOM 0 HB3 PHE A 63 83.186 -1.167 6.240 1.00 0.00 H new ATOM 0 HD1 PHE A 63 80.490 -2.270 8.592 1.00 0.00 H new ATOM 0 HD2 PHE A 63 84.140 -3.335 6.600 1.00 0.00 H new ATOM 0 HE1 PHE A 63 80.166 -4.637 9.263 1.00 0.00 H new ATOM 0 HE2 PHE A 63 83.784 -5.713 7.214 1.00 0.00 H new ATOM 0 HZ PHE A 63 81.838 -6.350 8.613 1.00 0.00 H new ATOM 939 N SER A 64 82.046 1.759 8.290 1.00 0.00 N ATOM 940 CA SER A 64 81.066 2.770 8.686 1.00 0.00 C ATOM 941 C SER A 64 80.582 3.543 7.466 1.00 0.00 C ATOM 942 O SER A 64 81.369 3.820 6.564 1.00 0.00 O ATOM 943 CB SER A 64 81.680 3.753 9.686 1.00 0.00 C ATOM 944 OG SER A 64 80.894 4.935 9.734 1.00 0.00 O ATOM 0 H SER A 64 82.715 2.069 7.585 1.00 0.00 H new ATOM 0 HA SER A 64 80.225 2.258 9.153 1.00 0.00 H new ATOM 0 HB2 SER A 64 81.731 3.297 10.675 1.00 0.00 H new ATOM 0 HB3 SER A 64 82.702 3.995 9.393 1.00 0.00 H new ATOM 0 HG SER A 64 81.287 5.563 10.375 1.00 0.00 H new ATOM 950 N GLY A 65 79.285 3.839 7.424 1.00 0.00 N ATOM 951 CA GLY A 65 78.680 4.533 6.291 1.00 0.00 C ATOM 952 C GLY A 65 78.465 6.009 6.609 1.00 0.00 C ATOM 953 O GLY A 65 78.071 6.359 7.721 1.00 0.00 O ATOM 0 H GLY A 65 78.628 3.606 8.169 1.00 0.00 H new ATOM 0 HA2 GLY A 65 79.321 4.435 5.415 1.00 0.00 H new ATOM 0 HA3 GLY A 65 77.726 4.068 6.042 1.00 0.00 H new ATOM 957 N SER A 66 78.667 6.863 5.610 1.00 0.00 N ATOM 958 CA SER A 66 78.461 8.298 5.771 1.00 0.00 C ATOM 959 C SER A 66 77.958 8.906 4.465 1.00 0.00 C ATOM 960 O SER A 66 78.354 8.473 3.383 1.00 0.00 O ATOM 961 CB SER A 66 79.782 8.958 6.179 1.00 0.00 C ATOM 962 OG SER A 66 80.417 9.508 5.034 1.00 0.00 O ATOM 0 H SER A 66 78.974 6.585 4.678 1.00 0.00 H new ATOM 0 HA SER A 66 77.714 8.469 6.547 1.00 0.00 H new ATOM 0 HB2 SER A 66 79.596 9.741 6.915 1.00 0.00 H new ATOM 0 HB3 SER A 66 80.435 8.224 6.652 1.00 0.00 H new ATOM 0 HG SER A 66 80.919 8.806 4.570 1.00 0.00 H new ATOM 968 N ILE A 67 77.092 9.911 4.571 1.00 0.00 N ATOM 969 CA ILE A 67 76.525 10.571 3.397 1.00 0.00 C ATOM 970 C ILE A 67 76.877 12.055 3.385 1.00 0.00 C ATOM 971 O ILE A 67 76.963 12.692 4.435 1.00 0.00 O ATOM 972 CB ILE A 67 75.003 10.402 3.359 1.00 0.00 C ATOM 973 CG1 ILE A 67 74.330 11.233 4.462 1.00 0.00 C ATOM 974 CG2 ILE A 67 74.672 8.914 3.521 1.00 0.00 C ATOM 975 CD1 ILE A 67 73.766 12.546 3.909 1.00 0.00 C ATOM 0 H ILE A 67 76.766 10.287 5.461 1.00 0.00 H new ATOM 0 HA ILE A 67 76.955 10.100 2.513 1.00 0.00 H new ATOM 0 HB ILE A 67 74.621 10.762 2.404 1.00 0.00 H new ATOM 0 HG12 ILE A 67 73.527 10.653 4.917 1.00 0.00 H new ATOM 0 HG13 ILE A 67 75.053 11.449 5.249 1.00 0.00 H new ATOM 0 HG21 ILE A 67 73.591 8.777 3.496 1.00 0.00 H new ATOM 0 HG22 ILE A 67 75.128 8.349 2.708 1.00 0.00 H new ATOM 0 HG23 ILE A 67 75.061 8.556 4.474 1.00 0.00 H new ATOM 0 HD11 ILE A 67 73.297 13.109 4.716 1.00 0.00 H new ATOM 0 HD12 ILE A 67 74.574 13.136 3.477 1.00 0.00 H new ATOM 0 HD13 ILE A 67 73.025 12.328 3.140 1.00 0.00 H new ATOM 987 N ASP A 68 77.086 12.594 2.186 1.00 0.00 N ATOM 988 CA ASP A 68 77.432 14.002 2.018 1.00 0.00 C ATOM 989 C ASP A 68 76.411 14.704 1.128 1.00 0.00 C ATOM 990 O ASP A 68 76.625 14.847 -0.076 1.00 0.00 O ATOM 991 CB ASP A 68 78.813 14.119 1.370 1.00 0.00 C ATOM 992 CG ASP A 68 79.845 13.385 2.220 1.00 0.00 C ATOM 993 OD1 ASP A 68 79.677 13.358 3.428 1.00 0.00 O ATOM 994 OD2 ASP A 68 80.817 12.911 1.656 1.00 0.00 O ATOM 0 H ASP A 68 77.021 12.072 1.312 1.00 0.00 H new ATOM 0 HA ASP A 68 77.436 14.474 3.001 1.00 0.00 H new ATOM 0 HB2 ASP A 68 78.790 13.698 0.365 1.00 0.00 H new ATOM 0 HB3 ASP A 68 79.090 15.168 1.270 1.00 0.00 H new ATOM 999 N SER A 69 75.295 15.118 1.718 1.00 0.00 N ATOM 1000 CA SER A 69 74.254 15.802 0.961 1.00 0.00 C ATOM 1001 C SER A 69 74.817 17.040 0.272 1.00 0.00 C ATOM 1002 O SER A 69 74.407 17.389 -0.835 1.00 0.00 O ATOM 1003 CB SER A 69 73.120 16.209 1.904 1.00 0.00 C ATOM 1004 OG SER A 69 73.374 17.512 2.411 1.00 0.00 O ATOM 0 H SER A 69 75.089 14.993 2.709 1.00 0.00 H new ATOM 0 HA SER A 69 73.872 15.123 0.198 1.00 0.00 H new ATOM 0 HB2 SER A 69 72.168 16.192 1.374 1.00 0.00 H new ATOM 0 HB3 SER A 69 73.041 15.496 2.725 1.00 0.00 H new ATOM 0 HG SER A 69 72.648 17.776 3.014 1.00 0.00 H new ATOM 1010 N SER A 70 75.773 17.686 0.930 1.00 0.00 N ATOM 1011 CA SER A 70 76.398 18.874 0.366 1.00 0.00 C ATOM 1012 C SER A 70 77.210 18.520 -0.875 1.00 0.00 C ATOM 1013 O SER A 70 77.064 19.143 -1.927 1.00 0.00 O ATOM 1014 CB SER A 70 77.341 19.480 1.403 1.00 0.00 C ATOM 1015 OG SER A 70 76.615 19.811 2.576 1.00 0.00 O ATOM 0 H SER A 70 76.129 17.410 1.845 1.00 0.00 H new ATOM 0 HA SER A 70 75.615 19.581 0.092 1.00 0.00 H new ATOM 0 HB2 SER A 70 78.135 18.773 1.643 1.00 0.00 H new ATOM 0 HB3 SER A 70 77.819 20.371 0.997 1.00 0.00 H new ATOM 0 HG SER A 70 77.224 20.198 3.239 1.00 0.00 H new ATOM 1021 N SER A 71 78.067 17.514 -0.738 1.00 0.00 N ATOM 1022 CA SER A 71 78.902 17.074 -1.849 1.00 0.00 C ATOM 1023 C SER A 71 78.105 16.157 -2.768 1.00 0.00 C ATOM 1024 O SER A 71 78.596 15.721 -3.809 1.00 0.00 O ATOM 1025 CB SER A 71 80.122 16.324 -1.312 1.00 0.00 C ATOM 1026 OG SER A 71 81.067 16.168 -2.359 1.00 0.00 O ATOM 0 H SER A 71 78.201 16.990 0.127 1.00 0.00 H new ATOM 0 HA SER A 71 79.231 17.947 -2.412 1.00 0.00 H new ATOM 0 HB2 SER A 71 80.567 16.874 -0.483 1.00 0.00 H new ATOM 0 HB3 SER A 71 79.824 15.349 -0.925 1.00 0.00 H new ATOM 0 HG SER A 71 80.596 16.015 -3.205 1.00 0.00 H new ATOM 1032 N ASN A 72 76.897 15.810 -2.336 1.00 0.00 N ATOM 1033 CA ASN A 72 76.054 14.921 -3.126 1.00 0.00 C ATOM 1034 C ASN A 72 76.770 13.595 -3.366 1.00 0.00 C ATOM 1035 O ASN A 72 76.670 13.017 -4.448 1.00 0.00 O ATOM 1036 CB ASN A 72 75.700 15.573 -4.465 1.00 0.00 C ATOM 1037 CG ASN A 72 74.457 14.918 -5.061 1.00 0.00 C ATOM 1038 OD1 ASN A 72 73.390 15.531 -5.099 1.00 0.00 O ATOM 1039 ND2 ASN A 72 74.532 13.699 -5.520 1.00 0.00 N ATOM 0 H ASN A 72 76.485 16.125 -1.458 1.00 0.00 H new ATOM 0 HA ASN A 72 75.134 14.733 -2.573 1.00 0.00 H new ATOM 0 HB2 ASN A 72 75.525 16.639 -4.323 1.00 0.00 H new ATOM 0 HB3 ASN A 72 76.537 15.477 -5.157 1.00 0.00 H new ATOM 0 HD21 ASN A 72 73.704 13.250 -5.912 1.00 0.00 H new ATOM 0 HD22 ASN A 72 75.418 13.195 -5.486 1.00 0.00 H new ATOM 1046 N SER A 73 77.562 13.164 -2.389 1.00 0.00 N ATOM 1047 CA SER A 73 78.318 11.920 -2.512 1.00 0.00 C ATOM 1048 C SER A 73 78.278 11.132 -1.207 1.00 0.00 C ATOM 1049 O SER A 73 77.840 11.638 -0.174 1.00 0.00 O ATOM 1050 CB SER A 73 79.773 12.218 -2.882 1.00 0.00 C ATOM 1051 OG SER A 73 80.505 12.524 -1.704 1.00 0.00 O ATOM 0 H SER A 73 77.697 13.655 -1.505 1.00 0.00 H new ATOM 0 HA SER A 73 77.859 11.323 -3.300 1.00 0.00 H new ATOM 0 HB2 SER A 73 80.215 11.358 -3.386 1.00 0.00 H new ATOM 0 HB3 SER A 73 79.819 13.054 -3.580 1.00 0.00 H new ATOM 0 HG SER A 73 81.437 12.714 -1.938 1.00 0.00 H new ATOM 1057 N ALA A 74 78.639 9.855 -1.284 1.00 0.00 N ATOM 1058 CA ALA A 74 78.627 8.974 -0.120 1.00 0.00 C ATOM 1059 C ALA A 74 80.043 8.504 0.191 1.00 0.00 C ATOM 1060 O ALA A 74 80.879 8.416 -0.707 1.00 0.00 O ATOM 1061 CB ALA A 74 77.738 7.759 -0.391 1.00 0.00 C ATOM 0 H ALA A 74 78.945 9.404 -2.146 1.00 0.00 H new ATOM 0 HA ALA A 74 78.233 9.527 0.733 1.00 0.00 H new ATOM 0 HB1 ALA A 74 77.736 7.108 0.483 1.00 0.00 H new ATOM 0 HB2 ALA A 74 76.721 8.091 -0.599 1.00 0.00 H new ATOM 0 HB3 ALA A 74 78.123 7.211 -1.251 1.00 0.00 H new ATOM 1067 N SER A 75 80.325 8.311 1.475 1.00 0.00 N ATOM 1068 CA SER A 75 81.666 7.940 1.914 1.00 0.00 C ATOM 1069 C SER A 75 81.606 7.036 3.137 1.00 0.00 C ATOM 1070 O SER A 75 81.015 7.397 4.155 1.00 0.00 O ATOM 1071 CB SER A 75 82.483 9.188 2.253 1.00 0.00 C ATOM 1072 OG SER A 75 82.318 10.160 1.231 1.00 0.00 O ATOM 0 H SER A 75 79.645 8.405 2.229 1.00 0.00 H new ATOM 0 HA SER A 75 82.145 7.402 1.096 1.00 0.00 H new ATOM 0 HB2 SER A 75 82.161 9.596 3.211 1.00 0.00 H new ATOM 0 HB3 SER A 75 83.537 8.928 2.355 1.00 0.00 H new ATOM 0 HG SER A 75 81.837 10.935 1.591 1.00 0.00 H new ATOM 1078 N LEU A 76 82.128 5.824 2.985 1.00 0.00 N ATOM 1079 CA LEU A 76 82.202 4.890 4.103 1.00 0.00 C ATOM 1080 C LEU A 76 83.587 4.960 4.742 1.00 0.00 C ATOM 1081 O LEU A 76 84.601 4.952 4.046 1.00 0.00 O ATOM 1082 CB LEU A 76 81.844 3.476 3.619 1.00 0.00 C ATOM 1083 CG LEU A 76 82.750 2.377 4.196 1.00 0.00 C ATOM 1084 CD1 LEU A 76 82.064 1.016 4.047 1.00 0.00 C ATOM 1085 CD2 LEU A 76 84.131 2.369 3.523 1.00 0.00 C ATOM 0 H LEU A 76 82.503 5.467 2.106 1.00 0.00 H new ATOM 0 HA LEU A 76 81.479 5.161 4.872 1.00 0.00 H new ATOM 0 HB2 LEU A 76 80.810 3.260 3.888 1.00 0.00 H new ATOM 0 HB3 LEU A 76 81.902 3.448 2.531 1.00 0.00 H new ATOM 0 HG LEU A 76 82.911 2.585 5.254 1.00 0.00 H new ATOM 0 HD11 LEU A 76 82.708 0.237 4.457 1.00 0.00 H new ATOM 0 HD12 LEU A 76 81.117 1.025 4.586 1.00 0.00 H new ATOM 0 HD13 LEU A 76 81.879 0.816 2.992 1.00 0.00 H new ATOM 0 HD21 LEU A 76 84.743 1.579 3.958 1.00 0.00 H new ATOM 0 HD22 LEU A 76 84.014 2.191 2.454 1.00 0.00 H new ATOM 0 HD23 LEU A 76 84.617 3.332 3.679 1.00 0.00 H new ATOM 1097 N THR A 77 83.622 4.944 6.072 1.00 0.00 N ATOM 1098 CA THR A 77 84.883 4.927 6.807 1.00 0.00 C ATOM 1099 C THR A 77 85.113 3.554 7.429 1.00 0.00 C ATOM 1100 O THR A 77 84.206 2.970 8.021 1.00 0.00 O ATOM 1101 CB THR A 77 84.850 5.986 7.913 1.00 0.00 C ATOM 1102 OG1 THR A 77 84.519 7.248 7.351 1.00 0.00 O ATOM 1103 CG2 THR A 77 86.217 6.079 8.597 1.00 0.00 C ATOM 0 H THR A 77 82.791 4.942 6.663 1.00 0.00 H new ATOM 0 HA THR A 77 85.696 5.145 6.114 1.00 0.00 H new ATOM 0 HB THR A 77 84.100 5.702 8.652 1.00 0.00 H new ATOM 0 HG1 THR A 77 84.496 7.925 8.059 1.00 0.00 H new ATOM 0 HG21 THR A 77 86.181 6.835 9.381 1.00 0.00 H new ATOM 0 HG22 THR A 77 86.471 5.114 9.035 1.00 0.00 H new ATOM 0 HG23 THR A 77 86.974 6.354 7.862 1.00 0.00 H new ATOM 1111 N ILE A 78 86.311 3.009 7.236 1.00 0.00 N ATOM 1112 CA ILE A 78 86.665 1.703 7.784 1.00 0.00 C ATOM 1113 C ILE A 78 87.789 1.857 8.803 1.00 0.00 C ATOM 1114 O ILE A 78 88.761 2.568 8.557 1.00 0.00 O ATOM 1115 CB ILE A 78 87.079 0.787 6.625 1.00 0.00 C ATOM 1116 CG1 ILE A 78 85.864 0.053 6.046 1.00 0.00 C ATOM 1117 CG2 ILE A 78 88.129 -0.247 7.051 1.00 0.00 C ATOM 1118 CD1 ILE A 78 86.200 -0.535 4.673 1.00 0.00 C ATOM 0 H ILE A 78 87.057 3.454 6.701 1.00 0.00 H new ATOM 0 HA ILE A 78 85.813 1.259 8.299 1.00 0.00 H new ATOM 0 HB ILE A 78 87.518 1.432 5.864 1.00 0.00 H new ATOM 0 HG12 ILE A 78 85.555 -0.743 6.724 1.00 0.00 H new ATOM 0 HG13 ILE A 78 85.023 0.741 5.958 1.00 0.00 H new ATOM 0 HG21 ILE A 78 88.391 -0.872 6.198 1.00 0.00 H new ATOM 0 HG22 ILE A 78 89.020 0.267 7.411 1.00 0.00 H new ATOM 0 HG23 ILE A 78 87.723 -0.871 7.847 1.00 0.00 H new ATOM 0 HD11 ILE A 78 85.327 -1.053 4.275 1.00 0.00 H new ATOM 0 HD12 ILE A 78 86.486 0.268 3.994 1.00 0.00 H new ATOM 0 HD13 ILE A 78 87.026 -1.239 4.771 1.00 0.00 H new ATOM 1130 N SER A 79 87.700 1.110 9.901 1.00 0.00 N ATOM 1131 CA SER A 79 88.707 1.168 10.958 1.00 0.00 C ATOM 1132 C SER A 79 89.320 -0.207 11.204 1.00 0.00 C ATOM 1133 O SER A 79 88.616 -1.166 11.524 1.00 0.00 O ATOM 1134 CB SER A 79 88.086 1.709 12.247 1.00 0.00 C ATOM 1135 OG SER A 79 87.932 3.116 12.132 1.00 0.00 O ATOM 0 H SER A 79 86.939 0.456 10.082 1.00 0.00 H new ATOM 0 HA SER A 79 89.502 1.841 10.637 1.00 0.00 H new ATOM 0 HB2 SER A 79 87.119 1.238 12.426 1.00 0.00 H new ATOM 0 HB3 SER A 79 88.720 1.468 13.100 1.00 0.00 H new ATOM 0 HG SER A 79 87.533 3.470 12.954 1.00 0.00 H new ATOM 1141 N GLY A 80 90.636 -0.297 11.032 1.00 0.00 N ATOM 1142 CA GLY A 80 91.353 -1.544 11.273 1.00 0.00 C ATOM 1143 C GLY A 80 91.100 -2.562 10.164 1.00 0.00 C ATOM 1144 O GLY A 80 90.378 -3.540 10.357 1.00 0.00 O ATOM 0 H GLY A 80 91.226 0.477 10.727 1.00 0.00 H new ATOM 0 HA2 GLY A 80 92.422 -1.342 11.345 1.00 0.00 H new ATOM 0 HA3 GLY A 80 91.043 -1.963 12.230 1.00 0.00 H new ATOM 1148 N LEU A 81 91.668 -2.300 8.991 1.00 0.00 N ATOM 1149 CA LEU A 81 91.566 -3.222 7.863 1.00 0.00 C ATOM 1150 C LEU A 81 92.538 -4.389 8.011 1.00 0.00 C ATOM 1151 O LEU A 81 93.670 -4.203 8.459 1.00 0.00 O ATOM 1152 CB LEU A 81 91.807 -2.503 6.532 1.00 0.00 C ATOM 1153 CG LEU A 81 93.236 -1.952 6.426 1.00 0.00 C ATOM 1154 CD1 LEU A 81 93.521 -1.465 4.999 1.00 0.00 C ATOM 1155 CD2 LEU A 81 93.460 -0.817 7.434 1.00 0.00 C ATOM 0 H LEU A 81 92.205 -1.455 8.796 1.00 0.00 H new ATOM 0 HA LEU A 81 90.550 -3.617 7.862 1.00 0.00 H new ATOM 0 HB2 LEU A 81 91.623 -3.193 5.709 1.00 0.00 H new ATOM 0 HB3 LEU A 81 91.094 -1.685 6.428 1.00 0.00 H new ATOM 0 HG LEU A 81 93.929 -2.760 6.662 1.00 0.00 H new ATOM 0 HD11 LEU A 81 94.538 -1.078 4.943 1.00 0.00 H new ATOM 0 HD12 LEU A 81 93.410 -2.296 4.302 1.00 0.00 H new ATOM 0 HD13 LEU A 81 92.817 -0.675 4.737 1.00 0.00 H new ATOM 0 HD21 LEU A 81 94.479 -0.443 7.340 1.00 0.00 H new ATOM 0 HD22 LEU A 81 92.757 -0.009 7.234 1.00 0.00 H new ATOM 0 HD23 LEU A 81 93.303 -1.192 8.445 1.00 0.00 H new ATOM 1167 N LYS A 82 92.152 -5.554 7.496 1.00 0.00 N ATOM 1168 CA LYS A 82 93.023 -6.726 7.524 1.00 0.00 C ATOM 1169 C LYS A 82 92.706 -7.648 6.350 1.00 0.00 C ATOM 1170 O LYS A 82 91.696 -7.478 5.668 1.00 0.00 O ATOM 1171 CB LYS A 82 92.850 -7.472 8.854 1.00 0.00 C ATOM 1172 CG LYS A 82 93.958 -7.110 9.850 1.00 0.00 C ATOM 1173 CD LYS A 82 95.238 -7.891 9.533 1.00 0.00 C ATOM 1174 CE LYS A 82 96.332 -7.532 10.540 1.00 0.00 C ATOM 1175 NZ LYS A 82 97.396 -8.574 10.495 1.00 0.00 N ATOM 0 H LYS A 82 91.245 -5.711 7.056 1.00 0.00 H new ATOM 0 HA LYS A 82 94.060 -6.401 7.436 1.00 0.00 H new ATOM 0 HB2 LYS A 82 91.879 -7.229 9.285 1.00 0.00 H new ATOM 0 HB3 LYS A 82 92.859 -8.547 8.673 1.00 0.00 H new ATOM 0 HG2 LYS A 82 94.158 -6.039 9.808 1.00 0.00 H new ATOM 0 HG3 LYS A 82 93.630 -7.333 10.865 1.00 0.00 H new ATOM 0 HD2 LYS A 82 95.038 -8.962 9.567 1.00 0.00 H new ATOM 0 HD3 LYS A 82 95.573 -7.661 8.522 1.00 0.00 H new ATOM 0 HE2 LYS A 82 96.753 -6.554 10.306 1.00 0.00 H new ATOM 0 HE3 LYS A 82 95.912 -7.466 11.544 1.00 0.00 H new ATOM 0 HZ1 LYS A 82 98.144 -8.336 11.178 1.00 0.00 H new ATOM 0 HZ2 LYS A 82 96.987 -9.499 10.738 1.00 0.00 H new ATOM 0 HZ3 LYS A 82 97.801 -8.615 9.538 1.00 0.00 H new ATOM 1189 N THR A 83 93.534 -8.672 6.168 1.00 0.00 N ATOM 1190 CA THR A 83 93.318 -9.635 5.094 1.00 0.00 C ATOM 1191 C THR A 83 91.889 -10.160 5.122 1.00 0.00 C ATOM 1192 O THR A 83 91.283 -10.421 4.083 1.00 0.00 O ATOM 1193 CB THR A 83 94.298 -10.804 5.228 1.00 0.00 C ATOM 1194 OG1 THR A 83 94.087 -11.455 6.474 1.00 0.00 O ATOM 1195 CG2 THR A 83 95.738 -10.283 5.165 1.00 0.00 C ATOM 0 H THR A 83 94.355 -8.856 6.745 1.00 0.00 H new ATOM 0 HA THR A 83 93.488 -9.129 4.143 1.00 0.00 H new ATOM 0 HB THR A 83 94.133 -11.508 4.412 1.00 0.00 H new ATOM 0 HG1 THR A 83 94.712 -12.205 6.561 1.00 0.00 H new ATOM 0 HG21 THR A 83 96.432 -11.118 5.261 1.00 0.00 H new ATOM 0 HG22 THR A 83 95.902 -9.782 4.211 1.00 0.00 H new ATOM 0 HG23 THR A 83 95.905 -9.577 5.979 1.00 0.00 H new ATOM 1203 N GLU A 84 91.351 -10.262 6.330 1.00 0.00 N ATOM 1204 CA GLU A 84 89.980 -10.727 6.499 1.00 0.00 C ATOM 1205 C GLU A 84 89.041 -9.855 5.669 1.00 0.00 C ATOM 1206 O GLU A 84 87.859 -10.169 5.533 1.00 0.00 O ATOM 1207 CB GLU A 84 89.603 -10.688 7.987 1.00 0.00 C ATOM 1208 CG GLU A 84 89.484 -12.102 8.565 1.00 0.00 C ATOM 1209 CD GLU A 84 88.224 -12.777 8.034 1.00 0.00 C ATOM 1210 OE1 GLU A 84 87.318 -12.069 7.626 1.00 0.00 O ATOM 1211 OE2 GLU A 84 88.229 -13.993 7.935 1.00 0.00 O ATOM 0 H GLU A 84 91.835 -10.032 7.198 1.00 0.00 H new ATOM 0 HA GLU A 84 89.890 -11.756 6.151 1.00 0.00 H new ATOM 0 HB2 GLU A 84 90.356 -10.128 8.541 1.00 0.00 H new ATOM 0 HB3 GLU A 84 88.657 -10.160 8.112 1.00 0.00 H new ATOM 0 HG2 GLU A 84 90.362 -12.689 8.296 1.00 0.00 H new ATOM 0 HG3 GLU A 84 89.452 -12.057 9.654 1.00 0.00 H new ATOM 1218 N ASP A 85 89.574 -8.774 5.103 1.00 0.00 N ATOM 1219 CA ASP A 85 88.788 -7.863 4.276 1.00 0.00 C ATOM 1220 C ASP A 85 89.257 -7.920 2.825 1.00 0.00 C ATOM 1221 O ASP A 85 88.499 -7.579 1.916 1.00 0.00 O ATOM 1222 CB ASP A 85 88.914 -6.435 4.827 1.00 0.00 C ATOM 1223 CG ASP A 85 87.555 -5.745 4.905 1.00 0.00 C ATOM 1224 OD1 ASP A 85 86.617 -6.379 5.360 1.00 0.00 O ATOM 1225 OD2 ASP A 85 87.462 -4.615 4.457 1.00 0.00 O ATOM 0 H ASP A 85 90.553 -8.507 5.204 1.00 0.00 H new ATOM 0 HA ASP A 85 87.741 -8.166 4.305 1.00 0.00 H new ATOM 0 HB2 ASP A 85 89.366 -6.465 5.819 1.00 0.00 H new ATOM 0 HB3 ASP A 85 89.582 -5.855 4.190 1.00 0.00 H new ATOM 1230 N GLU A 86 90.495 -8.357 2.604 1.00 0.00 N ATOM 1231 CA GLU A 86 91.013 -8.463 1.244 1.00 0.00 C ATOM 1232 C GLU A 86 89.957 -9.011 0.288 1.00 0.00 C ATOM 1233 O GLU A 86 89.776 -10.224 0.176 1.00 0.00 O ATOM 1234 CB GLU A 86 92.240 -9.377 1.215 1.00 0.00 C ATOM 1235 CG GLU A 86 92.809 -9.424 -0.204 1.00 0.00 C ATOM 1236 CD GLU A 86 94.124 -10.194 -0.224 1.00 0.00 C ATOM 1237 OE1 GLU A 86 94.446 -10.803 0.783 1.00 0.00 O ATOM 1238 OE2 GLU A 86 94.822 -10.106 -1.221 1.00 0.00 O ATOM 0 H GLU A 86 91.147 -8.639 3.336 1.00 0.00 H new ATOM 0 HA GLU A 86 91.291 -7.461 0.919 1.00 0.00 H new ATOM 0 HB2 GLU A 86 92.996 -9.010 1.909 1.00 0.00 H new ATOM 0 HB3 GLU A 86 91.967 -10.380 1.542 1.00 0.00 H new ATOM 0 HG2 GLU A 86 92.092 -9.898 -0.874 1.00 0.00 H new ATOM 0 HG3 GLU A 86 92.968 -8.411 -0.573 1.00 0.00 H new ATOM 1245 N ALA A 87 89.233 -8.107 -0.364 1.00 0.00 N ATOM 1246 CA ALA A 87 88.149 -8.506 -1.254 1.00 0.00 C ATOM 1247 C ALA A 87 87.617 -7.289 -2.004 1.00 0.00 C ATOM 1248 O ALA A 87 88.224 -6.218 -1.972 1.00 0.00 O ATOM 1249 CB ALA A 87 87.028 -9.160 -0.443 1.00 0.00 C ATOM 0 H ALA A 87 89.376 -7.100 -0.294 1.00 0.00 H new ATOM 0 HA ALA A 87 88.527 -9.226 -1.979 1.00 0.00 H new ATOM 0 HB1 ALA A 87 86.220 -9.456 -1.112 1.00 0.00 H new ATOM 0 HB2 ALA A 87 87.416 -10.040 0.070 1.00 0.00 H new ATOM 0 HB3 ALA A 87 86.648 -8.450 0.292 1.00 0.00 H new ATOM 1255 N ASP A 88 86.531 -7.477 -2.747 1.00 0.00 N ATOM 1256 CA ASP A 88 85.929 -6.381 -3.499 1.00 0.00 C ATOM 1257 C ASP A 88 84.933 -5.624 -2.626 1.00 0.00 C ATOM 1258 O ASP A 88 84.227 -6.219 -1.813 1.00 0.00 O ATOM 1259 CB ASP A 88 85.239 -6.915 -4.758 1.00 0.00 C ATOM 1260 CG ASP A 88 85.975 -8.146 -5.278 1.00 0.00 C ATOM 1261 OD1 ASP A 88 86.131 -9.086 -4.515 1.00 0.00 O ATOM 1262 OD2 ASP A 88 86.412 -8.116 -6.417 1.00 0.00 O ATOM 0 H ASP A 88 86.052 -8.372 -2.845 1.00 0.00 H new ATOM 0 HA ASP A 88 86.717 -5.692 -3.802 1.00 0.00 H new ATOM 0 HB2 ASP A 88 84.203 -7.169 -4.534 1.00 0.00 H new ATOM 0 HB3 ASP A 88 85.219 -6.142 -5.526 1.00 0.00 H new ATOM 1267 N TYR A 89 84.746 -4.350 -2.951 1.00 0.00 N ATOM 1268 CA TYR A 89 83.816 -3.482 -2.234 1.00 0.00 C ATOM 1269 C TYR A 89 82.851 -2.839 -3.228 1.00 0.00 C ATOM 1270 O TYR A 89 83.280 -2.237 -4.212 1.00 0.00 O ATOM 1271 CB TYR A 89 84.612 -2.406 -1.480 1.00 0.00 C ATOM 1272 CG TYR A 89 84.448 -2.562 0.016 1.00 0.00 C ATOM 1273 CD1 TYR A 89 83.183 -2.383 0.587 1.00 0.00 C ATOM 1274 CD2 TYR A 89 85.546 -2.870 0.829 1.00 0.00 C ATOM 1275 CE1 TYR A 89 83.002 -2.606 1.957 1.00 0.00 C ATOM 1276 CE2 TYR A 89 85.381 -2.993 2.216 1.00 0.00 C ATOM 1277 CZ TYR A 89 84.102 -2.886 2.777 1.00 0.00 C ATOM 1278 OH TYR A 89 83.927 -3.065 4.134 1.00 0.00 O ATOM 0 H TYR A 89 85.234 -3.889 -3.719 1.00 0.00 H new ATOM 0 HA TYR A 89 83.239 -4.064 -1.515 1.00 0.00 H new ATOM 0 HB2 TYR A 89 85.667 -2.477 -1.744 1.00 0.00 H new ATOM 0 HB3 TYR A 89 84.273 -1.416 -1.786 1.00 0.00 H new ATOM 0 HD1 TYR A 89 82.350 -2.074 -0.027 1.00 0.00 H new ATOM 0 HD2 TYR A 89 86.521 -3.013 0.387 1.00 0.00 H new ATOM 0 HE1 TYR A 89 82.011 -2.562 2.383 1.00 0.00 H new ATOM 0 HE2 TYR A 89 86.237 -3.170 2.850 1.00 0.00 H new ATOM 0 HH TYR A 89 84.793 -3.253 4.554 1.00 0.00 H new ATOM 1288 N TYR A 90 81.561 -2.870 -2.900 1.00 0.00 N ATOM 1289 CA TYR A 90 80.523 -2.297 -3.756 1.00 0.00 C ATOM 1290 C TYR A 90 79.599 -1.392 -2.943 1.00 0.00 C ATOM 1291 O TYR A 90 79.514 -1.530 -1.723 1.00 0.00 O ATOM 1292 CB TYR A 90 79.740 -3.431 -4.427 1.00 0.00 C ATOM 1293 CG TYR A 90 80.381 -3.826 -5.738 1.00 0.00 C ATOM 1294 CD1 TYR A 90 81.493 -4.677 -5.747 1.00 0.00 C ATOM 1295 CD2 TYR A 90 79.850 -3.356 -6.945 1.00 0.00 C ATOM 1296 CE1 TYR A 90 82.120 -4.993 -6.957 1.00 0.00 C ATOM 1297 CE2 TYR A 90 80.456 -3.704 -8.156 1.00 0.00 C ATOM 1298 CZ TYR A 90 81.582 -4.534 -8.164 1.00 0.00 C ATOM 1299 OH TYR A 90 82.200 -4.843 -9.358 1.00 0.00 O ATOM 0 H TYR A 90 81.207 -3.289 -2.040 1.00 0.00 H new ATOM 0 HA TYR A 90 80.985 -1.683 -4.529 1.00 0.00 H new ATOM 0 HB2 TYR A 90 79.700 -4.294 -3.762 1.00 0.00 H new ATOM 0 HB3 TYR A 90 78.711 -3.115 -4.601 1.00 0.00 H new ATOM 0 HD1 TYR A 90 81.866 -5.089 -4.821 1.00 0.00 H new ATOM 0 HD2 TYR A 90 78.973 -2.725 -6.941 1.00 0.00 H new ATOM 0 HE1 TYR A 90 83.019 -5.591 -6.959 1.00 0.00 H new ATOM 0 HE2 TYR A 90 80.054 -3.331 -9.087 1.00 0.00 H new ATOM 0 HH TYR A 90 82.386 -4.018 -9.853 1.00 0.00 H new ATOM 1309 N CYS A 91 78.963 -0.428 -3.612 1.00 0.00 N ATOM 1310 CA CYS A 91 77.980 0.457 -2.984 1.00 0.00 C ATOM 1311 C CYS A 91 76.634 0.270 -3.693 1.00 0.00 C ATOM 1312 O CYS A 91 76.592 -0.043 -4.882 1.00 0.00 O ATOM 1313 CB CYS A 91 78.417 1.941 -2.990 1.00 0.00 C ATOM 1314 SG CYS A 91 80.045 2.249 -3.741 1.00 0.00 S ATOM 0 H CYS A 91 79.115 -0.239 -4.603 1.00 0.00 H new ATOM 0 HA CYS A 91 77.891 0.184 -1.933 1.00 0.00 H new ATOM 0 HB2 CYS A 91 77.668 2.524 -3.526 1.00 0.00 H new ATOM 0 HB3 CYS A 91 78.430 2.306 -1.963 1.00 0.00 H new ATOM 1319 N GLN A 92 75.532 0.450 -2.966 1.00 0.00 N ATOM 1320 CA GLN A 92 74.193 0.379 -3.551 1.00 0.00 C ATOM 1321 C GLN A 92 73.442 1.680 -3.286 1.00 0.00 C ATOM 1322 O GLN A 92 73.293 2.094 -2.137 1.00 0.00 O ATOM 1323 CB GLN A 92 73.389 -0.771 -2.937 1.00 0.00 C ATOM 1324 CG GLN A 92 74.148 -2.092 -3.075 1.00 0.00 C ATOM 1325 CD GLN A 92 73.388 -3.202 -2.354 1.00 0.00 C ATOM 1326 OE1 GLN A 92 73.042 -3.057 -1.182 1.00 0.00 O ATOM 1327 NE2 GLN A 92 73.143 -4.325 -2.971 1.00 0.00 N ATOM 0 H GLN A 92 75.540 0.647 -1.965 1.00 0.00 H new ATOM 0 HA GLN A 92 74.305 0.213 -4.622 1.00 0.00 H new ATOM 0 HB2 GLN A 92 73.195 -0.565 -1.884 1.00 0.00 H new ATOM 0 HB3 GLN A 92 72.420 -0.849 -3.430 1.00 0.00 H new ATOM 0 HG2 GLN A 92 74.267 -2.345 -4.128 1.00 0.00 H new ATOM 0 HG3 GLN A 92 75.149 -1.992 -2.656 1.00 0.00 H new ATOM 0 HE21 GLN A 92 73.429 -4.446 -3.942 1.00 0.00 H new ATOM 0 HE22 GLN A 92 72.665 -5.082 -2.482 1.00 0.00 H new ATOM 1336 N SER A 93 72.891 2.273 -4.342 1.00 0.00 N ATOM 1337 CA SER A 93 72.174 3.541 -4.237 1.00 0.00 C ATOM 1338 C SER A 93 70.735 3.396 -4.721 1.00 0.00 C ATOM 1339 O SER A 93 70.430 2.528 -5.537 1.00 0.00 O ATOM 1340 CB SER A 93 72.880 4.611 -5.074 1.00 0.00 C ATOM 1341 OG SER A 93 72.562 4.424 -6.446 1.00 0.00 O ATOM 0 H SER A 93 72.928 1.892 -5.287 1.00 0.00 H new ATOM 0 HA SER A 93 72.164 3.837 -3.188 1.00 0.00 H new ATOM 0 HB2 SER A 93 72.570 5.605 -4.750 1.00 0.00 H new ATOM 0 HB3 SER A 93 73.958 4.550 -4.928 1.00 0.00 H new ATOM 0 HG SER A 93 72.877 5.195 -6.963 1.00 0.00 H new ATOM 1347 N TYR A 94 69.875 4.311 -4.282 1.00 0.00 N ATOM 1348 CA TYR A 94 68.465 4.298 -4.659 1.00 0.00 C ATOM 1349 C TYR A 94 68.100 5.607 -5.352 1.00 0.00 C ATOM 1350 O TYR A 94 68.719 6.643 -5.106 1.00 0.00 O ATOM 1351 CB TYR A 94 67.604 4.128 -3.403 1.00 0.00 C ATOM 1352 CG TYR A 94 67.639 2.688 -2.944 1.00 0.00 C ATOM 1353 CD1 TYR A 94 68.828 2.140 -2.447 1.00 0.00 C ATOM 1354 CD2 TYR A 94 66.475 1.910 -2.976 1.00 0.00 C ATOM 1355 CE1 TYR A 94 68.858 0.814 -2.000 1.00 0.00 C ATOM 1356 CE2 TYR A 94 66.511 0.574 -2.559 1.00 0.00 C ATOM 1357 CZ TYR A 94 67.702 0.027 -2.066 1.00 0.00 C ATOM 1358 OH TYR A 94 67.725 -1.274 -1.608 1.00 0.00 O ATOM 0 H TYR A 94 70.133 5.077 -3.660 1.00 0.00 H new ATOM 0 HA TYR A 94 68.284 3.469 -5.343 1.00 0.00 H new ATOM 0 HB2 TYR A 94 67.970 4.780 -2.610 1.00 0.00 H new ATOM 0 HB3 TYR A 94 66.577 4.427 -3.613 1.00 0.00 H new ATOM 0 HD1 TYR A 94 69.724 2.742 -2.409 1.00 0.00 H new ATOM 0 HD2 TYR A 94 65.548 2.341 -3.323 1.00 0.00 H new ATOM 0 HE1 TYR A 94 69.773 0.398 -1.604 1.00 0.00 H new ATOM 0 HE2 TYR A 94 65.621 -0.034 -2.618 1.00 0.00 H new ATOM 0 HH TYR A 94 68.390 -1.357 -0.893 1.00 0.00 H new ATOM 1368 N ASP A 95 67.119 5.550 -6.248 1.00 0.00 N ATOM 1369 CA ASP A 95 66.687 6.728 -6.996 1.00 0.00 C ATOM 1370 C ASP A 95 65.287 7.150 -6.563 1.00 0.00 C ATOM 1371 O ASP A 95 64.753 6.649 -5.573 1.00 0.00 O ATOM 1372 CB ASP A 95 66.696 6.417 -8.495 1.00 0.00 C ATOM 1373 CG ASP A 95 66.755 7.708 -9.308 1.00 0.00 C ATOM 1374 OD1 ASP A 95 67.692 8.464 -9.108 1.00 0.00 O ATOM 1375 OD2 ASP A 95 65.854 7.936 -10.099 1.00 0.00 O ATOM 0 H ASP A 95 66.606 4.698 -6.475 1.00 0.00 H new ATOM 0 HA ASP A 95 67.376 7.547 -6.791 1.00 0.00 H new ATOM 0 HB2 ASP A 95 67.553 5.788 -8.737 1.00 0.00 H new ATOM 0 HB3 ASP A 95 65.802 5.853 -8.761 1.00 0.00 H new ATOM 1380 N SER A 96 64.727 8.122 -7.274 1.00 0.00 N ATOM 1381 CA SER A 96 63.399 8.624 -6.947 1.00 0.00 C ATOM 1382 C SER A 96 62.360 7.513 -7.054 1.00 0.00 C ATOM 1383 O SER A 96 61.454 7.411 -6.226 1.00 0.00 O ATOM 1384 CB SER A 96 63.025 9.760 -7.901 1.00 0.00 C ATOM 1385 OG SER A 96 62.922 9.251 -9.223 1.00 0.00 O ATOM 0 H SER A 96 65.168 8.575 -8.074 1.00 0.00 H new ATOM 0 HA SER A 96 63.415 8.993 -5.922 1.00 0.00 H new ATOM 0 HB2 SER A 96 62.079 10.208 -7.597 1.00 0.00 H new ATOM 0 HB3 SER A 96 63.778 10.547 -7.860 1.00 0.00 H new ATOM 0 HG SER A 96 63.793 8.906 -9.509 1.00 0.00 H new ATOM 1391 N SER A 97 62.507 6.671 -8.073 1.00 0.00 N ATOM 1392 CA SER A 97 61.579 5.567 -8.282 1.00 0.00 C ATOM 1393 C SER A 97 61.752 4.508 -7.198 1.00 0.00 C ATOM 1394 O SER A 97 61.212 3.406 -7.298 1.00 0.00 O ATOM 1395 CB SER A 97 61.813 4.941 -9.660 1.00 0.00 C ATOM 1396 OG SER A 97 62.948 4.090 -9.609 1.00 0.00 O ATOM 0 H SER A 97 63.256 6.732 -8.763 1.00 0.00 H new ATOM 0 HA SER A 97 60.562 5.956 -8.231 1.00 0.00 H new ATOM 0 HB2 SER A 97 60.934 4.374 -9.967 1.00 0.00 H new ATOM 0 HB3 SER A 97 61.965 5.722 -10.405 1.00 0.00 H new ATOM 0 HG SER A 97 63.096 3.689 -10.491 1.00 0.00 H new ATOM 1402 N ASN A 98 62.532 4.842 -6.176 1.00 0.00 N ATOM 1403 CA ASN A 98 62.804 3.904 -5.095 1.00 0.00 C ATOM 1404 C ASN A 98 63.290 2.573 -5.658 1.00 0.00 C ATOM 1405 O ASN A 98 62.866 1.509 -5.209 1.00 0.00 O ATOM 1406 CB ASN A 98 61.535 3.688 -4.265 1.00 0.00 C ATOM 1407 CG ASN A 98 61.889 3.176 -2.872 1.00 0.00 C ATOM 1408 OD1 ASN A 98 62.521 3.887 -2.091 1.00 0.00 O ATOM 1409 ND2 ASN A 98 61.537 1.971 -2.514 1.00 0.00 N ATOM 0 H ASN A 98 62.985 5.750 -6.074 1.00 0.00 H new ATOM 0 HA ASN A 98 63.584 4.319 -4.457 1.00 0.00 H new ATOM 0 HB2 ASN A 98 60.982 4.624 -4.185 1.00 0.00 H new ATOM 0 HB3 ASN A 98 60.882 2.974 -4.767 1.00 0.00 H new ATOM 0 HD21 ASN A 98 61.786 1.621 -1.589 1.00 0.00 H new ATOM 0 HD22 ASN A 98 61.013 1.380 -3.159 1.00 0.00 H new ATOM 1416 N HIS A 99 64.231 2.638 -6.595 1.00 0.00 N ATOM 1417 CA HIS A 99 64.790 1.436 -7.208 1.00 0.00 C ATOM 1418 C HIS A 99 66.254 1.275 -6.815 1.00 0.00 C ATOM 1419 O HIS A 99 67.044 2.213 -6.923 1.00 0.00 O ATOM 1420 CB HIS A 99 64.680 1.526 -8.731 1.00 0.00 C ATOM 1421 CG HIS A 99 65.034 0.199 -9.344 1.00 0.00 C ATOM 1422 ND1 HIS A 99 66.346 -0.179 -9.583 1.00 0.00 N ATOM 1423 CD2 HIS A 99 64.259 -0.854 -9.768 1.00 0.00 C ATOM 1424 CE1 HIS A 99 66.321 -1.394 -10.158 1.00 0.00 C ATOM 1425 NE2 HIS A 99 65.078 -1.870 -10.256 1.00 0.00 N ATOM 0 H HIS A 99 64.623 3.511 -6.947 1.00 0.00 H new ATOM 0 HA HIS A 99 64.227 0.572 -6.854 1.00 0.00 H new ATOM 0 HB2 HIS A 99 63.667 1.810 -9.016 1.00 0.00 H new ATOM 0 HB3 HIS A 99 65.347 2.301 -9.108 1.00 0.00 H new ATOM 0 HD1 HIS A 99 67.180 0.366 -9.363 1.00 0.00 H new ATOM 0 HD2 HIS A 99 63.180 -0.889 -9.729 1.00 0.00 H new ATOM 0 HE1 HIS A 99 67.200 -1.921 -10.499 1.00 0.00 H new ATOM 1433 N VAL A 100 66.599 0.087 -6.330 1.00 0.00 N ATOM 1434 CA VAL A 100 67.962 -0.187 -5.886 1.00 0.00 C ATOM 1435 C VAL A 100 68.918 -0.188 -7.076 1.00 0.00 C ATOM 1436 O VAL A 100 68.610 -0.745 -8.130 1.00 0.00 O ATOM 1437 CB VAL A 100 68.004 -1.537 -5.164 1.00 0.00 C ATOM 1438 CG1 VAL A 100 67.293 -2.598 -6.006 1.00 0.00 C ATOM 1439 CG2 VAL A 100 69.455 -1.959 -4.920 1.00 0.00 C ATOM 0 H VAL A 100 65.957 -0.699 -6.234 1.00 0.00 H new ATOM 0 HA VAL A 100 68.278 0.595 -5.196 1.00 0.00 H new ATOM 0 HB VAL A 100 67.497 -1.439 -4.204 1.00 0.00 H new ATOM 0 HG11 VAL A 100 67.326 -3.556 -5.487 1.00 0.00 H new ATOM 0 HG12 VAL A 100 66.255 -2.304 -6.160 1.00 0.00 H new ATOM 0 HG13 VAL A 100 67.791 -2.690 -6.971 1.00 0.00 H new ATOM 0 HG21 VAL A 100 69.473 -2.920 -4.406 1.00 0.00 H new ATOM 0 HG22 VAL A 100 69.973 -2.048 -5.875 1.00 0.00 H new ATOM 0 HG23 VAL A 100 69.953 -1.210 -4.305 1.00 0.00 H new ATOM 1449 N VAL A 101 70.052 0.488 -6.916 1.00 0.00 N ATOM 1450 CA VAL A 101 71.065 0.576 -7.962 1.00 0.00 C ATOM 1451 C VAL A 101 72.427 0.168 -7.407 1.00 0.00 C ATOM 1452 O VAL A 101 72.573 -0.018 -6.199 1.00 0.00 O ATOM 1453 CB VAL A 101 71.129 2.016 -8.475 1.00 0.00 C ATOM 1454 CG1 VAL A 101 72.173 2.110 -9.587 1.00 0.00 C ATOM 1455 CG2 VAL A 101 69.761 2.433 -9.018 1.00 0.00 C ATOM 0 H VAL A 101 70.294 0.988 -6.061 1.00 0.00 H new ATOM 0 HA VAL A 101 70.802 -0.096 -8.779 1.00 0.00 H new ATOM 0 HB VAL A 101 71.406 2.681 -7.657 1.00 0.00 H new ATOM 0 HG11 VAL A 101 72.221 3.135 -9.955 1.00 0.00 H new ATOM 0 HG12 VAL A 101 73.148 1.818 -9.196 1.00 0.00 H new ATOM 0 HG13 VAL A 101 71.895 1.444 -10.404 1.00 0.00 H new ATOM 0 HG21 VAL A 101 69.811 3.459 -9.382 1.00 0.00 H new ATOM 0 HG22 VAL A 101 69.477 1.771 -9.836 1.00 0.00 H new ATOM 0 HG23 VAL A 101 69.018 2.366 -8.223 1.00 0.00 H new ATOM 1465 N PHE A 102 73.355 -0.159 -8.304 1.00 0.00 N ATOM 1466 CA PHE A 102 74.697 -0.583 -7.913 1.00 0.00 C ATOM 1467 C PHE A 102 75.761 0.178 -8.699 1.00 0.00 C ATOM 1468 O PHE A 102 75.520 0.608 -9.827 1.00 0.00 O ATOM 1469 CB PHE A 102 74.852 -2.084 -8.166 1.00 0.00 C ATOM 1470 CG PHE A 102 74.585 -2.371 -9.624 1.00 0.00 C ATOM 1471 CD1 PHE A 102 73.278 -2.627 -10.057 1.00 0.00 C ATOM 1472 CD2 PHE A 102 75.646 -2.411 -10.538 1.00 0.00 C ATOM 1473 CE1 PHE A 102 73.032 -2.908 -11.406 1.00 0.00 C ATOM 1474 CE2 PHE A 102 75.403 -2.724 -11.880 1.00 0.00 C ATOM 1475 CZ PHE A 102 74.092 -2.943 -12.321 1.00 0.00 C ATOM 0 H PHE A 102 73.200 -0.138 -9.312 1.00 0.00 H new ATOM 0 HA PHE A 102 74.831 -0.368 -6.853 1.00 0.00 H new ATOM 0 HB2 PHE A 102 75.857 -2.408 -7.897 1.00 0.00 H new ATOM 0 HB3 PHE A 102 74.158 -2.644 -7.540 1.00 0.00 H new ATOM 0 HD1 PHE A 102 72.461 -2.608 -9.351 1.00 0.00 H new ATOM 0 HD2 PHE A 102 76.652 -2.200 -10.207 1.00 0.00 H new ATOM 0 HE1 PHE A 102 72.023 -3.098 -11.742 1.00 0.00 H new ATOM 0 HE2 PHE A 102 76.226 -2.797 -12.575 1.00 0.00 H new ATOM 0 HZ PHE A 102 73.898 -3.139 -13.365 1.00 0.00 H new ATOM 1485 N GLY A 103 76.920 0.376 -8.078 1.00 0.00 N ATOM 1486 CA GLY A 103 78.031 1.080 -8.711 1.00 0.00 C ATOM 1487 C GLY A 103 79.047 0.103 -9.290 1.00 0.00 C ATOM 1488 O GLY A 103 78.969 -1.103 -9.054 1.00 0.00 O ATOM 0 H GLY A 103 77.115 0.056 -7.129 1.00 0.00 H new ATOM 0 HA2 GLY A 103 77.651 1.725 -9.503 1.00 0.00 H new ATOM 0 HA3 GLY A 103 78.519 1.725 -7.981 1.00 0.00 H new ATOM 1492 N GLY A 104 80.046 0.645 -9.980 1.00 0.00 N ATOM 1493 CA GLY A 104 81.104 -0.180 -10.553 1.00 0.00 C ATOM 1494 C GLY A 104 81.784 -1.024 -9.481 1.00 0.00 C ATOM 1495 O GLY A 104 82.071 -2.202 -9.696 1.00 0.00 O ATOM 0 H GLY A 104 80.145 1.645 -10.155 1.00 0.00 H new ATOM 0 HA2 GLY A 104 80.686 -0.830 -11.321 1.00 0.00 H new ATOM 0 HA3 GLY A 104 81.842 0.457 -11.041 1.00 0.00 H new ATOM 1499 N GLY A 105 82.033 -0.416 -8.324 1.00 0.00 N ATOM 1500 CA GLY A 105 82.658 -1.117 -7.208 1.00 0.00 C ATOM 1501 C GLY A 105 84.110 -0.686 -7.032 1.00 0.00 C ATOM 1502 O GLY A 105 84.543 0.311 -7.610 1.00 0.00 O ATOM 0 H GLY A 105 81.811 0.562 -8.136 1.00 0.00 H new ATOM 0 HA2 GLY A 105 82.102 -0.917 -6.292 1.00 0.00 H new ATOM 0 HA3 GLY A 105 82.613 -2.193 -7.379 1.00 0.00 H new ATOM 1506 N THR A 106 84.794 -1.318 -6.083 1.00 0.00 N ATOM 1507 CA THR A 106 86.175 -0.968 -5.774 1.00 0.00 C ATOM 1508 C THR A 106 86.906 -2.191 -5.227 1.00 0.00 C ATOM 1509 O THR A 106 86.505 -2.757 -4.210 1.00 0.00 O ATOM 1510 CB THR A 106 86.188 0.175 -4.755 1.00 0.00 C ATOM 1511 OG1 THR A 106 85.947 1.399 -5.435 1.00 0.00 O ATOM 1512 CG2 THR A 106 87.539 0.260 -4.040 1.00 0.00 C ATOM 0 H THR A 106 84.414 -2.075 -5.515 1.00 0.00 H new ATOM 0 HA THR A 106 86.687 -0.639 -6.678 1.00 0.00 H new ATOM 0 HB THR A 106 85.414 -0.013 -4.011 1.00 0.00 H new ATOM 0 HG1 THR A 106 85.859 1.228 -6.396 1.00 0.00 H new ATOM 0 HG21 THR A 106 87.520 1.080 -3.322 1.00 0.00 H new ATOM 0 HG22 THR A 106 87.733 -0.676 -3.516 1.00 0.00 H new ATOM 0 HG23 THR A 106 88.327 0.436 -4.772 1.00 0.00 H new ATOM 1520 N LYS A 107 88.026 -2.538 -5.853 1.00 0.00 N ATOM 1521 CA LYS A 107 88.835 -3.656 -5.382 1.00 0.00 C ATOM 1522 C LYS A 107 89.720 -3.208 -4.223 1.00 0.00 C ATOM 1523 O LYS A 107 90.681 -2.464 -4.418 1.00 0.00 O ATOM 1524 CB LYS A 107 89.691 -4.200 -6.530 1.00 0.00 C ATOM 1525 CG LYS A 107 90.516 -5.395 -6.047 1.00 0.00 C ATOM 1526 CD LYS A 107 91.415 -5.902 -7.178 1.00 0.00 C ATOM 1527 CE LYS A 107 92.195 -7.136 -6.711 1.00 0.00 C ATOM 1528 NZ LYS A 107 92.442 -7.060 -5.243 1.00 0.00 N ATOM 0 H LYS A 107 88.391 -2.066 -6.680 1.00 0.00 H new ATOM 0 HA LYS A 107 88.177 -4.450 -5.030 1.00 0.00 H new ATOM 0 HB2 LYS A 107 89.052 -4.501 -7.360 1.00 0.00 H new ATOM 0 HB3 LYS A 107 90.352 -3.418 -6.904 1.00 0.00 H new ATOM 0 HG2 LYS A 107 91.124 -5.105 -5.190 1.00 0.00 H new ATOM 0 HG3 LYS A 107 89.854 -6.193 -5.712 1.00 0.00 H new ATOM 0 HD2 LYS A 107 90.811 -6.151 -8.050 1.00 0.00 H new ATOM 0 HD3 LYS A 107 92.107 -5.117 -7.483 1.00 0.00 H new ATOM 0 HE2 LYS A 107 91.635 -8.041 -6.947 1.00 0.00 H new ATOM 0 HE3 LYS A 107 93.143 -7.200 -7.244 1.00 0.00 H new ATOM 0 HZ1 LYS A 107 93.071 -7.837 -4.956 1.00 0.00 H new ATOM 0 HZ2 LYS A 107 92.889 -6.150 -5.013 1.00 0.00 H new ATOM 0 HZ3 LYS A 107 91.538 -7.140 -4.734 1.00 0.00 H new ATOM 1542 N LEU A 108 89.451 -3.746 -3.036 1.00 0.00 N ATOM 1543 CA LEU A 108 90.271 -3.451 -1.868 1.00 0.00 C ATOM 1544 C LEU A 108 91.258 -4.581 -1.600 1.00 0.00 C ATOM 1545 O LEU A 108 90.866 -5.734 -1.422 1.00 0.00 O ATOM 1546 CB LEU A 108 89.364 -3.269 -0.648 1.00 0.00 C ATOM 1547 CG LEU A 108 90.160 -2.702 0.531 1.00 0.00 C ATOM 1548 CD1 LEU A 108 90.484 -1.226 0.290 1.00 0.00 C ATOM 1549 CD2 LEU A 108 89.343 -2.830 1.819 1.00 0.00 C ATOM 0 H LEU A 108 88.676 -4.385 -2.860 1.00 0.00 H new ATOM 0 HA LEU A 108 90.833 -2.537 -2.058 1.00 0.00 H new ATOM 0 HB2 LEU A 108 88.541 -2.598 -0.896 1.00 0.00 H new ATOM 0 HB3 LEU A 108 88.922 -4.226 -0.370 1.00 0.00 H new ATOM 0 HG LEU A 108 91.088 -3.265 0.626 1.00 0.00 H new ATOM 0 HD11 LEU A 108 91.050 -0.835 1.135 1.00 0.00 H new ATOM 0 HD12 LEU A 108 91.076 -1.127 -0.620 1.00 0.00 H new ATOM 0 HD13 LEU A 108 89.557 -0.663 0.182 1.00 0.00 H new ATOM 0 HD21 LEU A 108 89.915 -2.425 2.654 1.00 0.00 H new ATOM 0 HD22 LEU A 108 88.410 -2.276 1.715 1.00 0.00 H new ATOM 0 HD23 LEU A 108 89.122 -3.881 2.007 1.00 0.00 H new ATOM 1561 N THR A 109 92.530 -4.218 -1.465 1.00 0.00 N ATOM 1562 CA THR A 109 93.586 -5.192 -1.193 1.00 0.00 C ATOM 1563 C THR A 109 94.381 -4.805 0.050 1.00 0.00 C ATOM 1564 O THR A 109 94.604 -3.623 0.310 1.00 0.00 O ATOM 1565 CB THR A 109 94.534 -5.275 -2.391 1.00 0.00 C ATOM 1566 OG1 THR A 109 93.828 -5.746 -3.529 1.00 0.00 O ATOM 1567 CG2 THR A 109 95.692 -6.224 -2.077 1.00 0.00 C ATOM 0 H THR A 109 92.857 -3.255 -1.539 1.00 0.00 H new ATOM 0 HA THR A 109 93.117 -6.161 -1.020 1.00 0.00 H new ATOM 0 HB THR A 109 94.932 -4.282 -2.598 1.00 0.00 H new ATOM 0 HG1 THR A 109 94.370 -5.602 -4.333 1.00 0.00 H new ATOM 0 HG21 THR A 109 96.362 -6.277 -2.935 1.00 0.00 H new ATOM 0 HG22 THR A 109 96.241 -5.854 -1.211 1.00 0.00 H new ATOM 0 HG23 THR A 109 95.300 -7.218 -1.861 1.00 0.00 H new ATOM 1575 N VAL A 110 94.761 -5.809 0.839 1.00 0.00 N ATOM 1576 CA VAL A 110 95.513 -5.595 2.072 1.00 0.00 C ATOM 1577 C VAL A 110 96.919 -6.172 1.939 1.00 0.00 C ATOM 1578 O VAL A 110 97.102 -7.275 1.423 1.00 0.00 O ATOM 1579 CB VAL A 110 94.796 -6.265 3.247 1.00 0.00 C ATOM 1580 CG1 VAL A 110 95.678 -6.221 4.498 1.00 0.00 C ATOM 1581 CG2 VAL A 110 93.492 -5.517 3.532 1.00 0.00 C ATOM 0 H VAL A 110 94.557 -6.789 0.642 1.00 0.00 H new ATOM 0 HA VAL A 110 95.582 -4.523 2.255 1.00 0.00 H new ATOM 0 HB VAL A 110 94.587 -7.304 2.991 1.00 0.00 H new ATOM 0 HG11 VAL A 110 95.158 -6.700 5.327 1.00 0.00 H new ATOM 0 HG12 VAL A 110 96.612 -6.747 4.303 1.00 0.00 H new ATOM 0 HG13 VAL A 110 95.893 -5.184 4.756 1.00 0.00 H new ATOM 0 HG21 VAL A 110 92.977 -5.990 4.368 1.00 0.00 H new ATOM 0 HG22 VAL A 110 93.715 -4.480 3.783 1.00 0.00 H new ATOM 0 HG23 VAL A 110 92.854 -5.548 2.649 1.00 0.00 H new ATOM 1591 N LEU A 111 97.905 -5.409 2.403 1.00 0.00 N ATOM 1592 CA LEU A 111 99.300 -5.840 2.378 1.00 0.00 C ATOM 1593 C LEU A 111 99.760 -6.248 3.773 1.00 0.00 C ATOM 1594 O LEU A 111 100.956 -6.218 4.014 1.00 0.00 O ATOM 1595 CB LEU A 111 100.166 -4.681 1.875 1.00 0.00 C ATOM 1596 CG LEU A 111 99.783 -4.319 0.434 1.00 0.00 C ATOM 1597 CD1 LEU A 111 100.089 -2.845 0.152 1.00 0.00 C ATOM 1598 CD2 LEU A 111 100.554 -5.190 -0.562 1.00 0.00 C ATOM 1599 OXT LEU A 111 98.916 -6.646 4.559 1.00 0.00 O ATOM 0 H LEU A 111 97.762 -4.482 2.804 1.00 0.00 H new ATOM 0 HA LEU A 111 99.397 -6.700 1.716 1.00 0.00 H new ATOM 0 HB2 LEU A 111 100.037 -3.813 2.522 1.00 0.00 H new ATOM 0 HB3 LEU A 111 101.219 -4.958 1.920 1.00 0.00 H new ATOM 0 HG LEU A 111 98.714 -4.496 0.317 1.00 0.00 H new ATOM 0 HD11 LEU A 111 99.811 -2.606 -0.874 1.00 0.00 H new ATOM 0 HD12 LEU A 111 99.520 -2.218 0.838 1.00 0.00 H new ATOM 0 HD13 LEU A 111 101.154 -2.661 0.292 1.00 0.00 H new ATOM 0 HD21 LEU A 111 100.269 -4.919 -1.579 1.00 0.00 H new ATOM 0 HD22 LEU A 111 101.625 -5.032 -0.431 1.00 0.00 H new ATOM 0 HD23 LEU A 111 100.318 -6.240 -0.387 1.00 0.00 H new TER 1611 LEU A 111