USER MOD reduce.3.24.130724 H: found=0, std=0, add=880, rem=0, adj=24 USER MOD reduce.3.24.130724 removed 877 hydrogens (128 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 NoAdj-H: A 17 MLY H2 : A 17 MLY N : A 16 PRO C :(H bumps) USER MOD NoAdj-H: A 34 MLY H2 : A 34 MLY N : A 33 GLY C :(H bumps) USER MOD NoAdj-H: A 35 MLY H2 : A 35 MLY N : A 34 MLY C :(H bumps) USER MOD NoAdj-H: A 44 MLY H2 : A 44 MLY N : A 43 ASN C :(H bumps) USER MOD NoAdj-H: A 44 MLY H : A 44 MLY N : A 43 ASN C :(H bumps) USER MOD NoAdj-H: A 47 MLY H2 : A 47 MLY N : A 46 PHE C :(H bumps) USER MOD NoAdj-H: A 52 MLY H2 : A 52 MLY N : A 51 GLY C :(H bumps) USER MOD NoAdj-H: A 73 MLY H2 : A 73 MLY N : A 72 ALA C :(H bumps) USER MOD NoAdj-H: A 105 MLY H2 : A 105 MLY N : A 104 LEU C :(H bumps) USER MOD NoAdj-H: A 105 MLY H : A 105 MLY N : A 104 LEU C :(H bumps) USER MOD Set 1.1: A 25 HIS : no HD1:sc= -1.13 K(o=0.091,f=-0.5) USER MOD Set 1.2: A 39 SER OG : rot 85:sc= 1.22 USER MOD Single : A 0 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 3 GLN :FLIP amide:sc= -0.0132 F(o=-2,f=-0.013) USER MOD Single : A 6 THR OG1 : rot 180:sc= 0 USER MOD Single : A 8 SER OG : rot 180:sc= 0 USER MOD Single : A -1 SER OG : rot 180:sc= 0 USER MOD Single : A -3 GLY N :NH3+ -137:sc= -0.196 (180deg=-1.15) USER MOD Single : A 14 THR OG1 : rot 180:sc= 0 USER MOD Single : A 20 GLN :FLIP amide:sc= -0.0764 F(o=-1.7!,f=-0.076) USER MOD Single : A 21 THR OG1 : rot 180:sc= 0.00689 USER MOD Single : A 22 CYS SG : rot 180:sc= -0.298 USER MOD Single : A 26 TYR OH : rot 154:sc= 0.72 USER MOD Single : A 27 THR OG1 : rot 180:sc= -0.05 USER MOD Single : A 29 MET CE :methyl -157:sc= -0.0291 (180deg=-0.717) USER MOD Single : A 38 SER OG : rot 43:sc= -2.4 USER MOD Single : A 43 ASN : amide:sc= 0 X(o=0,f=0.052) USER MOD Single : A 49 MET CE :methyl -128:sc= 0 (180deg=-1.71!) USER MOD Single : A 53 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 65 GLN : amide:sc= 0.211 K(o=0.21,f=-1.2) USER MOD Single : A 66 MET CE :methyl -176:sc= -2.3! (180deg=-2.48!) USER MOD Single : A 67 SER OG : rot -90:sc= 0.381 USER MOD Single : A 70 GLN :FLIP amide:sc= -0.38 F(o=-1.1,f=-0.38) USER MOD Single : A 75 THR OG1 : rot 72:sc= 0.509 USER MOD Single : A 77 SER OG : rot -85:sc= 1.21 USER MOD Single : A 80 TYR OH : rot 180:sc= 0 USER MOD Single : A 82 TYR OH : rot 180:sc= 0 USER MOD Single : A 85 THR OG1 : rot 180:sc= 0 USER MOD Single : A 87 HIS : no HD1:sc= -0.0845 X(o=-0.084,f=0) USER MOD Single : A 94 HIS : no HD1:sc= 0 X(o=0,f=0) USER MOD Single : A 96 THR OG1 : rot 104:sc= 0.0558 USER MOD ----------------------------------------------------------------- ATOM 1 N GLY A -3 -12.718 -14.243 -16.144 1.00 23.20 N ATOM 2 CA GLY A -3 -11.788 -14.795 -15.176 1.00 43.12 C ATOM 3 C GLY A -3 -10.469 -14.031 -15.134 1.00 10.33 C ATOM 4 O GLY A -3 -9.458 -14.547 -15.618 1.00 34.23 O ATOM 0 H1 GLY A -3 -13.671 -14.208 -15.729 1.00 23.20 H new ATOM 0 H2 GLY A -3 -12.418 -13.282 -16.405 1.00 23.20 H new ATOM 0 H3 GLY A -3 -12.732 -14.843 -16.993 1.00 23.20 H new ATOM 0 HA2 GLY A -3 -12.246 -14.779 -14.187 1.00 43.12 H new ATOM 0 HA3 GLY A -3 -11.592 -15.839 -15.419 1.00 43.12 H new ATOM 8 N PRO A -2 -10.436 -12.788 -14.559 1.00 43.42 N ATOM 9 CA PRO A -2 -9.207 -11.974 -14.470 1.00 72.12 C ATOM 10 C PRO A -2 -8.241 -12.462 -13.383 1.00 24.33 C ATOM 11 O PRO A -2 -7.022 -12.409 -13.564 1.00 1.42 O ATOM 12 CB PRO A -2 -9.722 -10.561 -14.128 1.00 65.32 C ATOM 13 CG PRO A -2 -11.213 -10.632 -14.221 1.00 23.11 C ATOM 14 CD PRO A -2 -11.578 -12.064 -13.969 1.00 3.14 C ATOM 0 HA PRO A -2 -8.636 -12.024 -15.397 1.00 72.12 H new ATOM 0 HB2 PRO A -2 -9.407 -10.262 -13.128 1.00 65.32 H new ATOM 0 HB3 PRO A -2 -9.323 -9.822 -14.822 1.00 65.32 H new ATOM 0 HG2 PRO A -2 -11.681 -9.976 -13.487 1.00 23.11 H new ATOM 0 HG3 PRO A -2 -11.558 -10.309 -15.203 1.00 23.11 H new ATOM 0 HD2 PRO A -2 -11.687 -12.275 -12.905 1.00 3.14 H new ATOM 0 HD3 PRO A -2 -12.520 -12.333 -14.446 1.00 3.14 H new ATOM 22 N SER A -1 -8.806 -12.944 -12.252 1.00 54.30 N ATOM 23 CA SER A -1 -8.033 -13.457 -11.093 1.00 74.21 C ATOM 24 C SER A -1 -7.165 -12.365 -10.456 1.00 44.31 C ATOM 25 O SER A -1 -6.372 -11.713 -11.139 1.00 24.24 O ATOM 26 CB SER A -1 -7.162 -14.666 -11.485 1.00 35.31 C ATOM 27 OG SER A -1 -6.613 -15.300 -10.341 1.00 34.24 O ATOM 0 H SER A -1 -9.816 -12.989 -12.115 1.00 54.30 H new ATOM 0 HA SER A -1 -8.763 -13.783 -10.352 1.00 74.21 H new ATOM 0 HB2 SER A -1 -7.762 -15.382 -12.047 1.00 35.31 H new ATOM 0 HB3 SER A -1 -6.357 -14.339 -12.143 1.00 35.31 H new ATOM 0 HG SER A -1 -6.067 -16.064 -10.621 1.00 34.24 H new ATOM 33 N MET A 0 -7.327 -12.186 -9.127 1.00 71.24 N ATOM 34 CA MET A 0 -6.581 -11.179 -8.329 1.00 20.33 C ATOM 35 C MET A 0 -6.893 -9.748 -8.776 1.00 73.21 C ATOM 36 O MET A 0 -6.759 -9.415 -9.958 1.00 22.03 O ATOM 37 CB MET A 0 -5.060 -11.421 -8.375 1.00 31.50 C ATOM 38 CG MET A 0 -4.611 -12.665 -7.622 1.00 40.30 C ATOM 39 SD MET A 0 -2.828 -12.920 -7.704 1.00 23.03 S ATOM 40 CE MET A 0 -2.657 -14.428 -6.753 1.00 60.20 C ATOM 0 H MET A 0 -7.981 -12.737 -8.572 1.00 71.24 H new ATOM 0 HA MET A 0 -6.918 -11.298 -7.299 1.00 20.33 H new ATOM 0 HB2 MET A 0 -4.747 -11.505 -9.416 1.00 31.50 H new ATOM 0 HB3 MET A 0 -4.551 -10.552 -7.958 1.00 31.50 H new ATOM 0 HG2 MET A 0 -4.915 -12.583 -6.578 1.00 40.30 H new ATOM 0 HG3 MET A 0 -5.118 -13.537 -8.034 1.00 40.30 H new ATOM 0 HE1 MET A 0 -1.606 -14.716 -6.713 1.00 60.20 H new ATOM 0 HE2 MET A 0 -3.028 -14.264 -5.741 1.00 60.20 H new ATOM 0 HE3 MET A 0 -3.233 -15.224 -7.226 1.00 60.20 H new ATOM 50 N GLY A 1 -7.308 -8.915 -7.816 1.00 60.01 N ATOM 51 CA GLY A 1 -7.638 -7.525 -8.107 1.00 13.55 C ATOM 52 C GLY A 1 -6.574 -6.546 -7.635 1.00 3.14 C ATOM 53 O GLY A 1 -6.883 -5.387 -7.346 1.00 44.31 O ATOM 0 H GLY A 1 -7.421 -9.181 -6.838 1.00 60.01 H new ATOM 0 HA2 GLY A 1 -7.779 -7.409 -9.182 1.00 13.55 H new ATOM 0 HA3 GLY A 1 -8.587 -7.277 -7.633 1.00 13.55 H new ATOM 57 N VAL A 2 -5.323 -7.012 -7.561 1.00 52.34 N ATOM 58 CA VAL A 2 -4.204 -6.175 -7.125 1.00 33.20 C ATOM 59 C VAL A 2 -2.984 -6.384 -8.043 1.00 63.10 C ATOM 60 O VAL A 2 -2.403 -7.473 -8.085 1.00 55.34 O ATOM 61 CB VAL A 2 -3.867 -6.416 -5.607 1.00 71.54 C ATOM 62 CG1 VAL A 2 -3.441 -7.856 -5.306 1.00 32.31 C ATOM 63 CG2 VAL A 2 -2.818 -5.428 -5.096 1.00 64.22 C ATOM 0 H VAL A 2 -5.061 -7.969 -7.799 1.00 52.34 H new ATOM 0 HA VAL A 2 -4.497 -5.129 -7.212 1.00 33.20 H new ATOM 0 HB VAL A 2 -4.798 -6.241 -5.068 1.00 71.54 H new ATOM 0 HG11 VAL A 2 -3.223 -7.956 -4.243 1.00 32.31 H new ATOM 0 HG12 VAL A 2 -4.247 -8.538 -5.577 1.00 32.31 H new ATOM 0 HG13 VAL A 2 -2.550 -8.100 -5.884 1.00 32.31 H new ATOM 0 HG21 VAL A 2 -2.613 -5.627 -4.044 1.00 64.22 H new ATOM 0 HG22 VAL A 2 -1.900 -5.541 -5.673 1.00 64.22 H new ATOM 0 HG23 VAL A 2 -3.192 -4.410 -5.206 1.00 64.22 H new ATOM 73 N GLN A 3 -2.622 -5.326 -8.780 1.00 54.51 N ATOM 74 CA GLN A 3 -1.487 -5.371 -9.708 1.00 12.04 C ATOM 75 C GLN A 3 -0.357 -4.462 -9.231 1.00 65.23 C ATOM 76 O GLN A 3 -0.526 -3.242 -9.135 1.00 65.11 O ATOM 77 CB GLN A 3 -1.920 -4.965 -11.127 1.00 73.14 C ATOM 78 CG GLN A 3 -2.970 -5.880 -11.749 1.00 31.23 C ATOM 79 CD GLN A 3 -4.380 -5.350 -11.566 1.00 1.13 C ATOM 80 OE1 GLN A 3 -4.995 -5.679 -10.436 1.00 52.13 O flip ATOM 81 NE2 GLN A 3 -4.906 -4.644 -12.426 1.00 15.44 N flip ATOM 0 H GLN A 3 -3.101 -4.426 -8.751 1.00 54.51 H new ATOM 0 HA GLN A 3 -1.123 -6.398 -9.734 1.00 12.04 H new ATOM 0 HB2 GLN A 3 -2.312 -3.949 -11.098 1.00 73.14 H new ATOM 0 HB3 GLN A 3 -1.041 -4.949 -11.772 1.00 73.14 H new ATOM 0 HG2 GLN A 3 -2.763 -5.995 -12.813 1.00 31.23 H new ATOM 0 HG3 GLN A 3 -2.896 -6.871 -11.301 1.00 31.23 H new ATOM 0 HE21 GLN A 3 -4.397 -4.416 -13.280 1.00 15.44 H new ATOM 0 HE22 GLN A 3 -5.851 -4.287 -12.285 1.00 15.44 H new ATOM 90 N VAL A 4 0.795 -5.068 -8.938 1.00 15.11 N ATOM 91 CA VAL A 4 1.965 -4.331 -8.466 1.00 21.25 C ATOM 92 C VAL A 4 3.049 -4.265 -9.556 1.00 0.04 C ATOM 93 O VAL A 4 3.382 -5.279 -10.177 1.00 62.43 O ATOM 94 CB VAL A 4 2.508 -4.942 -7.130 1.00 41.33 C ATOM 95 CG1 VAL A 4 3.026 -6.367 -7.309 1.00 50.31 C ATOM 96 CG2 VAL A 4 3.579 -4.058 -6.498 1.00 13.43 C ATOM 0 H VAL A 4 0.941 -6.074 -9.021 1.00 15.11 H new ATOM 0 HA VAL A 4 1.664 -3.306 -8.251 1.00 21.25 H new ATOM 0 HB VAL A 4 1.658 -4.986 -6.449 1.00 41.33 H new ATOM 0 HG11 VAL A 4 3.391 -6.744 -6.354 1.00 50.31 H new ATOM 0 HG12 VAL A 4 2.218 -7.006 -7.667 1.00 50.31 H new ATOM 0 HG13 VAL A 4 3.839 -6.370 -8.035 1.00 50.31 H new ATOM 0 HG21 VAL A 4 3.930 -4.516 -5.573 1.00 13.43 H new ATOM 0 HG22 VAL A 4 4.415 -3.949 -7.189 1.00 13.43 H new ATOM 0 HG23 VAL A 4 3.158 -3.077 -6.279 1.00 13.43 H new ATOM 106 N GLU A 5 3.581 -3.057 -9.766 1.00 43.11 N ATOM 107 CA GLU A 5 4.621 -2.819 -10.775 1.00 1.02 C ATOM 108 C GLU A 5 5.890 -2.298 -10.112 1.00 74.44 C ATOM 109 O GLU A 5 5.860 -1.276 -9.423 1.00 42.12 O ATOM 110 CB GLU A 5 4.157 -1.805 -11.844 1.00 22.54 C ATOM 111 CG GLU A 5 2.647 -1.709 -12.026 1.00 62.44 C ATOM 112 CD GLU A 5 2.254 -0.778 -13.157 1.00 45.30 C ATOM 113 OE1 GLU A 5 2.156 -1.251 -14.309 1.00 72.23 O ATOM 114 OE2 GLU A 5 2.044 0.424 -12.890 1.00 20.43 O ATOM 0 H GLU A 5 3.307 -2.223 -9.247 1.00 43.11 H new ATOM 0 HA GLU A 5 4.821 -3.772 -11.265 1.00 1.02 H new ATOM 0 HB2 GLU A 5 4.540 -0.819 -11.579 1.00 22.54 H new ATOM 0 HB3 GLU A 5 4.607 -2.075 -12.799 1.00 22.54 H new ATOM 0 HG2 GLU A 5 2.244 -2.703 -12.222 1.00 62.44 H new ATOM 0 HG3 GLU A 5 2.194 -1.359 -11.098 1.00 62.44 H new ATOM 121 N THR A 6 7.006 -3.002 -10.340 1.00 42.11 N ATOM 122 CA THR A 6 8.303 -2.623 -9.768 1.00 74.15 C ATOM 123 C THR A 6 8.923 -1.459 -10.544 1.00 12.12 C ATOM 124 O THR A 6 9.082 -1.524 -11.767 1.00 51.21 O ATOM 125 CB THR A 6 9.282 -3.827 -9.744 1.00 0.24 C ATOM 126 OG1 THR A 6 8.603 -4.999 -9.277 1.00 2.23 O ATOM 127 CG2 THR A 6 10.494 -3.565 -8.846 1.00 50.35 C ATOM 0 H THR A 6 7.036 -3.841 -10.919 1.00 42.11 H new ATOM 0 HA THR A 6 8.126 -2.304 -8.741 1.00 74.15 H new ATOM 0 HB THR A 6 9.638 -3.974 -10.764 1.00 0.24 H new ATOM 0 HG1 THR A 6 9.226 -5.755 -9.266 1.00 2.23 H new ATOM 0 HG21 THR A 6 11.152 -4.434 -8.860 1.00 50.35 H new ATOM 0 HG22 THR A 6 11.037 -2.694 -9.212 1.00 50.35 H new ATOM 0 HG23 THR A 6 10.158 -3.381 -7.826 1.00 50.35 H new ATOM 135 N ILE A 7 9.265 -0.405 -9.804 1.00 11.44 N ATOM 136 CA ILE A 7 9.860 0.801 -10.381 1.00 72.43 C ATOM 137 C ILE A 7 11.335 0.911 -9.985 1.00 45.55 C ATOM 138 O ILE A 7 12.172 1.322 -10.794 1.00 31.04 O ATOM 139 CB ILE A 7 9.101 2.092 -9.949 1.00 21.20 C ATOM 140 CG1 ILE A 7 7.592 1.802 -9.812 1.00 42.50 C ATOM 141 CG2 ILE A 7 9.346 3.218 -10.962 1.00 0.24 C ATOM 142 CD1 ILE A 7 6.816 2.810 -8.979 1.00 14.43 C ATOM 0 H ILE A 7 9.139 -0.362 -8.793 1.00 11.44 H new ATOM 0 HA ILE A 7 9.779 0.712 -11.464 1.00 72.43 H new ATOM 0 HB ILE A 7 9.480 2.415 -8.979 1.00 21.20 H new ATOM 0 HG12 ILE A 7 7.153 1.763 -10.809 1.00 42.50 H new ATOM 0 HG13 ILE A 7 7.466 0.814 -9.369 1.00 42.50 H new ATOM 0 HG21 ILE A 7 8.810 4.113 -10.647 1.00 0.24 H new ATOM 0 HG22 ILE A 7 10.413 3.434 -11.015 1.00 0.24 H new ATOM 0 HG23 ILE A 7 8.989 2.908 -11.944 1.00 0.24 H new ATOM 0 HD11 ILE A 7 5.766 2.520 -8.942 1.00 14.43 H new ATOM 0 HD12 ILE A 7 7.221 2.835 -7.968 1.00 14.43 H new ATOM 0 HD13 ILE A 7 6.904 3.799 -9.430 1.00 14.43 H new ATOM 154 N SER A 8 11.636 0.541 -8.734 1.00 5.12 N ATOM 155 CA SER A 8 12.999 0.587 -8.214 1.00 32.42 C ATOM 156 C SER A 8 13.343 -0.719 -7.490 1.00 21.20 C ATOM 157 O SER A 8 12.687 -1.064 -6.503 1.00 31.34 O ATOM 158 CB SER A 8 13.168 1.774 -7.263 1.00 74.32 C ATOM 159 OG SER A 8 14.537 2.029 -6.996 1.00 64.33 O ATOM 0 H SER A 8 10.945 0.205 -8.063 1.00 5.12 H new ATOM 0 HA SER A 8 13.682 0.710 -9.055 1.00 32.42 H new ATOM 0 HB2 SER A 8 12.709 2.661 -7.700 1.00 74.32 H new ATOM 0 HB3 SER A 8 12.645 1.572 -6.329 1.00 74.32 H new ATOM 0 HG SER A 8 14.615 2.793 -6.387 1.00 64.33 H new ATOM 165 N PRO A 9 14.376 -1.473 -7.969 1.00 51.01 N ATOM 166 CA PRO A 9 14.786 -2.747 -7.346 1.00 23.32 C ATOM 167 C PRO A 9 15.490 -2.560 -5.995 1.00 51.21 C ATOM 168 O PRO A 9 16.423 -1.758 -5.878 1.00 32.12 O ATOM 169 CB PRO A 9 15.738 -3.353 -8.383 1.00 21.35 C ATOM 170 CG PRO A 9 16.294 -2.189 -9.127 1.00 44.13 C ATOM 171 CD PRO A 9 15.205 -1.159 -9.163 1.00 61.42 C ATOM 0 HA PRO A 9 13.928 -3.377 -7.112 1.00 23.32 H new ATOM 0 HB2 PRO A 9 16.529 -3.928 -7.903 1.00 21.35 H new ATOM 0 HB3 PRO A 9 15.211 -4.033 -9.052 1.00 21.35 H new ATOM 0 HG2 PRO A 9 17.183 -1.799 -8.632 1.00 44.13 H new ATOM 0 HG3 PRO A 9 16.591 -2.477 -10.135 1.00 44.13 H new ATOM 0 HD2 PRO A 9 15.610 -0.148 -9.114 1.00 61.42 H new ATOM 0 HD3 PRO A 9 14.623 -1.225 -10.082 1.00 61.42 H new ATOM 179 N GLY A 10 15.026 -3.307 -4.988 1.00 11.52 N ATOM 180 CA GLY A 10 15.601 -3.229 -3.654 1.00 4.35 C ATOM 181 C GLY A 10 16.598 -4.342 -3.392 1.00 44.33 C ATOM 182 O GLY A 10 17.583 -4.474 -4.125 1.00 23.33 O ATOM 0 H GLY A 10 14.255 -3.969 -5.077 1.00 11.52 H new ATOM 0 HA2 GLY A 10 16.094 -2.265 -3.529 1.00 4.35 H new ATOM 0 HA3 GLY A 10 14.803 -3.277 -2.913 1.00 4.35 H new ATOM 186 N ASP A 11 16.344 -5.144 -2.347 1.00 12.02 N ATOM 187 CA ASP A 11 17.221 -6.268 -1.995 1.00 21.40 C ATOM 188 C ASP A 11 16.892 -7.507 -2.838 1.00 61.45 C ATOM 189 O ASP A 11 17.795 -8.155 -3.375 1.00 53.40 O ATOM 190 CB ASP A 11 17.103 -6.594 -0.503 1.00 15.33 C ATOM 191 CG ASP A 11 17.834 -5.592 0.371 1.00 54.04 C ATOM 192 OD1 ASP A 11 19.079 -5.533 0.292 1.00 2.54 O ATOM 193 OD2 ASP A 11 17.162 -4.869 1.136 1.00 3.25 O ATOM 0 H ASP A 11 15.538 -5.034 -1.732 1.00 12.02 H new ATOM 0 HA ASP A 11 18.248 -5.973 -2.209 1.00 21.40 H new ATOM 0 HB2 ASP A 11 16.050 -6.616 -0.222 1.00 15.33 H new ATOM 0 HB3 ASP A 11 17.503 -7.591 -0.320 1.00 15.33 H new ATOM 198 N GLY A 12 15.592 -7.821 -2.941 1.00 11.03 N ATOM 199 CA GLY A 12 15.137 -8.967 -3.728 1.00 21.20 C ATOM 200 C GLY A 12 15.149 -10.283 -2.962 1.00 63.51 C ATOM 201 O GLY A 12 14.743 -11.317 -3.501 1.00 45.41 O ATOM 0 H GLY A 12 14.843 -7.297 -2.489 1.00 11.03 H new ATOM 0 HA2 GLY A 12 14.125 -8.773 -4.083 1.00 21.20 H new ATOM 0 HA3 GLY A 12 15.770 -9.065 -4.610 1.00 21.20 H new ATOM 205 N ARG A 13 15.615 -10.241 -1.709 1.00 44.41 N ATOM 206 CA ARG A 13 15.693 -11.434 -0.856 1.00 43.15 C ATOM 207 C ARG A 13 15.164 -11.157 0.561 1.00 71.41 C ATOM 208 O ARG A 13 15.134 -12.059 1.406 1.00 75.24 O ATOM 209 CB ARG A 13 17.144 -11.971 -0.803 1.00 13.14 C ATOM 210 CG ARG A 13 18.209 -10.933 -0.439 1.00 22.33 C ATOM 211 CD ARG A 13 19.612 -11.502 -0.578 1.00 60.10 C ATOM 212 NE ARG A 13 20.642 -10.521 -0.219 1.00 42.52 N ATOM 213 CZ ARG A 13 21.958 -10.774 -0.182 1.00 33.40 C ATOM 214 NH1 ARG A 13 22.437 -11.981 -0.479 1.00 20.42 N ATOM 215 NH2 ARG A 13 22.800 -9.808 0.157 1.00 61.14 N ATOM 0 H ARG A 13 15.946 -9.387 -1.260 1.00 44.41 H new ATOM 0 HA ARG A 13 15.054 -12.198 -1.300 1.00 43.15 H new ATOM 0 HB2 ARG A 13 17.188 -12.783 -0.077 1.00 13.14 H new ATOM 0 HB3 ARG A 13 17.392 -12.398 -1.775 1.00 13.14 H new ATOM 0 HG2 ARG A 13 18.104 -10.061 -1.084 1.00 22.33 H new ATOM 0 HG3 ARG A 13 18.053 -10.593 0.585 1.00 22.33 H new ATOM 0 HD2 ARG A 13 19.711 -12.381 0.059 1.00 60.10 H new ATOM 0 HD3 ARG A 13 19.769 -11.833 -1.605 1.00 60.10 H new ATOM 0 HE ARG A 13 20.335 -9.578 0.020 1.00 42.52 H new ATOM 0 HH11 ARG A 13 21.799 -12.733 -0.740 1.00 20.42 H new ATOM 0 HH12 ARG A 13 23.442 -12.153 -0.445 1.00 20.42 H new ATOM 0 HH21 ARG A 13 22.445 -8.880 0.387 1.00 61.14 H new ATOM 0 HH22 ARG A 13 23.803 -9.993 0.187 1.00 61.14 H new ATOM 229 N THR A 14 14.740 -9.911 0.804 1.00 42.14 N ATOM 230 CA THR A 14 14.224 -9.507 2.108 1.00 3.41 C ATOM 231 C THR A 14 12.775 -9.017 1.985 1.00 32.20 C ATOM 232 O THR A 14 12.522 -7.845 1.685 1.00 15.22 O ATOM 233 CB THR A 14 15.117 -8.407 2.742 1.00 43.13 C ATOM 234 OG1 THR A 14 16.501 -8.703 2.511 1.00 71.40 O ATOM 235 CG2 THR A 14 14.883 -8.282 4.245 1.00 52.24 C ATOM 0 H THR A 14 14.746 -9.165 0.108 1.00 42.14 H new ATOM 0 HA THR A 14 14.242 -10.378 2.763 1.00 3.41 H new ATOM 0 HB THR A 14 14.849 -7.461 2.271 1.00 43.13 H new ATOM 0 HG1 THR A 14 17.057 -8.003 2.913 1.00 71.40 H new ATOM 0 HG21 THR A 14 15.527 -7.501 4.650 1.00 52.24 H new ATOM 0 HG22 THR A 14 13.840 -8.024 4.431 1.00 52.24 H new ATOM 0 HG23 THR A 14 15.114 -9.231 4.729 1.00 52.24 H new ATOM 243 N PHE A 15 11.834 -9.940 2.200 1.00 33.20 N ATOM 244 CA PHE A 15 10.406 -9.630 2.133 1.00 11.33 C ATOM 245 C PHE A 15 9.803 -9.528 3.539 1.00 41.44 C ATOM 246 O PHE A 15 10.269 -10.209 4.457 1.00 72.11 O ATOM 247 CB PHE A 15 9.660 -10.696 1.323 1.00 23.11 C ATOM 248 CG PHE A 15 10.066 -10.754 -0.123 1.00 12.42 C ATOM 249 CD1 PHE A 15 11.222 -11.416 -0.506 1.00 65.13 C ATOM 250 CD2 PHE A 15 9.294 -10.142 -1.096 1.00 33.25 C ATOM 251 CE1 PHE A 15 11.600 -11.467 -1.831 1.00 21.24 C ATOM 252 CE2 PHE A 15 9.667 -10.190 -2.426 1.00 12.41 C ATOM 253 CZ PHE A 15 10.822 -10.853 -2.794 1.00 50.43 C ATOM 0 H PHE A 15 12.039 -10.914 2.423 1.00 33.20 H new ATOM 0 HA PHE A 15 10.296 -8.666 1.635 1.00 11.33 H new ATOM 0 HB2 PHE A 15 9.832 -11.671 1.778 1.00 23.11 H new ATOM 0 HB3 PHE A 15 8.589 -10.501 1.382 1.00 23.11 H new ATOM 0 HD1 PHE A 15 11.834 -11.898 0.242 1.00 65.13 H new ATOM 0 HD2 PHE A 15 8.391 -9.622 -0.813 1.00 33.25 H new ATOM 0 HE1 PHE A 15 12.503 -11.986 -2.116 1.00 21.24 H new ATOM 0 HE2 PHE A 15 9.057 -9.710 -3.177 1.00 12.41 H new ATOM 0 HZ PHE A 15 11.116 -10.891 -3.832 1.00 50.43 H new ATOM 263 N PRO A 16 8.752 -8.674 3.734 1.00 13.34 N ATOM 264 CA PRO A 16 8.102 -8.501 5.047 1.00 31.25 C ATOM 265 C PRO A 16 7.332 -9.745 5.504 1.00 31.31 C ATOM 266 O PRO A 16 6.504 -10.286 4.764 1.00 15.10 O ATOM 267 CB PRO A 16 7.147 -7.316 4.843 1.00 64.23 C ATOM 268 CG PRO A 16 6.948 -7.187 3.368 1.00 2.14 C ATOM 269 CD PRO A 16 8.145 -7.804 2.698 1.00 35.24 C ATOM 0 HA PRO A 16 8.841 -8.331 5.830 1.00 31.25 H new ATOM 0 HB2 PRO A 16 6.198 -7.490 5.350 1.00 64.23 H new ATOM 0 HB3 PRO A 16 7.568 -6.401 5.260 1.00 64.23 H new ATOM 0 HG2 PRO A 16 6.032 -7.691 3.059 1.00 2.14 H new ATOM 0 HG3 PRO A 16 6.847 -6.139 3.084 1.00 2.14 H new ATOM 0 HD2 PRO A 16 7.854 -8.379 1.819 1.00 35.24 H new ATOM 0 HD3 PRO A 16 8.847 -7.041 2.361 1.00 35.24 H new HETATM 277 N MLY A 17 7.628 -10.183 6.732 1.00 65.54 N HETATM 278 CA MLY A 17 6.994 -11.363 7.329 1.00 1.40 C HETATM 279 CB MLY A 17 7.975 -12.069 8.278 1.00 3.13 C HETATM 280 CG MLY A 17 9.275 -12.505 7.613 1.00 4.51 C HETATM 281 CD MLY A 17 10.162 -13.284 8.572 1.00 62.24 C HETATM 282 CE MLY A 17 11.413 -12.498 8.937 1.00 72.30 C HETATM 283 NZ MLY A 17 12.207 -13.248 9.926 1.00 51.13 N HETATM 284 CH1 MLY A 17 12.349 -12.448 11.153 1.00 21.43 C HETATM 285 CH2 MLY A 17 13.540 -13.535 9.374 1.00 4.23 C HETATM 286 C MLY A 17 5.720 -10.984 8.084 1.00 62.13 C HETATM 287 O MLY A 17 5.546 -9.830 8.488 1.00 41.31 O HETATM 0 HH23 MLY A 17 13.438 -14.130 8.466 1.00 4.23 H new HETATM 0 HH22 MLY A 17 14.046 -12.599 9.139 1.00 4.23 H new HETATM 0 HH21 MLY A 17 14.126 -14.090 10.107 1.00 4.23 H new HETATM 0 HH13 MLY A 17 12.853 -11.510 10.920 1.00 21.43 H new HETATM 0 HH12 MLY A 17 11.363 -12.237 11.566 1.00 21.43 H new HETATM 0 HH11 MLY A 17 12.936 -13.004 11.884 1.00 21.43 H new HETATM 0 HG3 MLY A 17 9.050 -13.122 6.743 1.00 4.51 H new HETATM 0 HG2 MLY A 17 9.811 -11.628 7.252 1.00 4.51 H new HETATM 0 HE3 MLY A 17 12.010 -12.313 8.044 1.00 72.30 H new HETATM 0 HE2 MLY A 17 11.136 -11.525 9.343 1.00 72.30 H new HETATM 0 HD3 MLY A 17 9.602 -13.520 9.477 1.00 62.24 H new HETATM 0 HD2 MLY A 17 10.447 -14.233 8.117 1.00 62.24 H new HETATM 0 HB3 MLY A 17 8.209 -11.400 9.106 1.00 3.13 H new HETATM 0 HB2 MLY A 17 7.486 -12.945 8.705 1.00 3.13 H new HETATM 0 HA MLY A 17 6.722 -12.043 6.522 1.00 1.40 H new HETATM 0 H MLY A 17 8.590 -9.944 6.973 1.00 65.54 H new ATOM 304 N ARG A 18 4.838 -11.975 8.270 1.00 75.42 N ATOM 305 CA ARG A 18 3.564 -11.785 8.968 1.00 34.53 C ATOM 306 C ARG A 18 3.768 -11.732 10.491 1.00 50.25 C ATOM 307 O ARG A 18 4.338 -12.654 11.082 1.00 2.04 O ATOM 308 CB ARG A 18 2.604 -12.923 8.584 1.00 61.11 C ATOM 309 CG ARG A 18 1.140 -12.669 8.932 1.00 12.50 C ATOM 310 CD ARG A 18 0.259 -13.834 8.511 1.00 23.10 C ATOM 311 NE ARG A 18 -1.137 -13.646 8.922 1.00 72.31 N ATOM 312 CZ ARG A 18 -2.194 -14.204 8.314 1.00 24.01 C ATOM 313 NH1 ARG A 18 -2.040 -14.997 7.255 1.00 2.12 N ATOM 314 NH2 ARG A 18 -3.415 -13.964 8.772 1.00 35.44 N ATOM 0 H ARG A 18 4.989 -12.928 7.941 1.00 75.42 H new ATOM 0 HA ARG A 18 3.132 -10.831 8.666 1.00 34.53 H new ATOM 0 HB2 ARG A 18 2.683 -13.100 7.511 1.00 61.11 H new ATOM 0 HB3 ARG A 18 2.928 -13.837 9.082 1.00 61.11 H new ATOM 0 HG2 ARG A 18 1.043 -12.507 10.005 1.00 12.50 H new ATOM 0 HG3 ARG A 18 0.800 -11.758 8.440 1.00 12.50 H new ATOM 0 HD2 ARG A 18 0.305 -13.950 7.428 1.00 23.10 H new ATOM 0 HD3 ARG A 18 0.644 -14.756 8.947 1.00 23.10 H new ATOM 0 HE ARG A 18 -1.316 -13.048 9.728 1.00 72.31 H new ATOM 0 HH11 ARG A 18 -1.106 -15.189 6.893 1.00 2.12 H new ATOM 0 HH12 ARG A 18 -2.856 -15.412 6.806 1.00 2.12 H new ATOM 0 HH21 ARG A 18 -3.546 -13.358 9.582 1.00 35.44 H new ATOM 0 HH22 ARG A 18 -4.223 -14.385 8.314 1.00 35.44 H new ATOM 328 N GLY A 19 3.297 -10.639 11.102 1.00 24.02 N ATOM 329 CA GLY A 19 3.422 -10.459 12.543 1.00 64.12 C ATOM 330 C GLY A 19 4.260 -9.249 12.925 1.00 64.12 C ATOM 331 O GLY A 19 4.044 -8.656 13.986 1.00 0.22 O ATOM 0 H GLY A 19 2.829 -9.872 10.619 1.00 24.02 H new ATOM 0 HA2 GLY A 19 2.428 -10.356 12.977 1.00 64.12 H new ATOM 0 HA3 GLY A 19 3.868 -11.354 12.977 1.00 64.12 H new ATOM 335 N GLN A 20 5.214 -8.885 12.059 1.00 1.30 N ATOM 336 CA GLN A 20 6.099 -7.740 12.299 1.00 31.02 C ATOM 337 C GLN A 20 5.582 -6.487 11.584 1.00 45.43 C ATOM 338 O GLN A 20 4.788 -6.585 10.642 1.00 32.11 O ATOM 339 CB GLN A 20 7.546 -8.059 11.863 1.00 72.14 C ATOM 340 CG GLN A 20 7.667 -8.878 10.578 1.00 0.44 C ATOM 341 CD GLN A 20 8.803 -8.410 9.698 1.00 23.22 C ATOM 342 OE1 GLN A 20 8.505 -7.468 8.815 1.00 53.30 O flip ATOM 343 NE2 GLN A 20 9.932 -8.886 9.811 1.00 33.54 N flip ATOM 0 H GLN A 20 5.393 -9.371 11.180 1.00 1.30 H new ATOM 0 HA GLN A 20 6.103 -7.541 13.371 1.00 31.02 H new ATOM 0 HB2 GLN A 20 8.085 -7.121 11.730 1.00 72.14 H new ATOM 0 HB3 GLN A 20 8.042 -8.600 12.669 1.00 72.14 H new ATOM 0 HG2 GLN A 20 7.817 -9.927 10.833 1.00 0.44 H new ATOM 0 HG3 GLN A 20 6.732 -8.816 10.022 1.00 0.44 H new ATOM 0 HE21 GLN A 20 10.113 -9.610 10.506 1.00 33.54 H new ATOM 0 HE22 GLN A 20 10.687 -8.556 9.210 1.00 33.54 H new ATOM 352 N THR A 21 6.044 -5.313 12.042 1.00 41.53 N ATOM 353 CA THR A 21 5.633 -4.027 11.467 1.00 5.30 C ATOM 354 C THR A 21 6.465 -3.679 10.229 1.00 73.13 C ATOM 355 O THR A 21 7.656 -3.998 10.162 1.00 42.40 O ATOM 356 CB THR A 21 5.746 -2.872 12.493 1.00 62.42 C ATOM 357 OG1 THR A 21 5.732 -3.386 13.833 1.00 0.54 O ATOM 358 CG2 THR A 21 4.599 -1.881 12.327 1.00 71.14 C ATOM 0 H THR A 21 6.706 -5.230 12.813 1.00 41.53 H new ATOM 0 HA THR A 21 4.587 -4.140 11.180 1.00 5.30 H new ATOM 0 HB THR A 21 6.690 -2.359 12.309 1.00 62.42 H new ATOM 0 HG1 THR A 21 5.806 -2.644 14.469 1.00 0.54 H new ATOM 0 HG21 THR A 21 4.702 -1.080 13.059 1.00 71.14 H new ATOM 0 HG22 THR A 21 4.625 -1.460 11.322 1.00 71.14 H new ATOM 0 HG23 THR A 21 3.650 -2.394 12.481 1.00 71.14 H new ATOM 366 N CYS A 22 5.816 -3.026 9.262 1.00 42.51 N ATOM 367 CA CYS A 22 6.461 -2.629 8.016 1.00 32.11 C ATOM 368 C CYS A 22 6.401 -1.116 7.833 1.00 1.42 C ATOM 369 O CYS A 22 5.317 -0.530 7.735 1.00 21.41 O ATOM 370 CB CYS A 22 5.794 -3.329 6.825 1.00 52.32 C ATOM 371 SG CYS A 22 6.670 -3.114 5.257 1.00 70.12 S ATOM 0 H CYS A 22 4.833 -2.760 9.324 1.00 42.51 H new ATOM 0 HA CYS A 22 7.508 -2.930 8.064 1.00 32.11 H new ATOM 0 HB2 CYS A 22 5.715 -4.394 7.041 1.00 52.32 H new ATOM 0 HB3 CYS A 22 4.778 -2.949 6.716 1.00 52.32 H new ATOM 0 HG CYS A 22 6.032 -3.742 4.314 1.00 70.12 H new ATOM 377 N VAL A 23 7.582 -0.493 7.802 1.00 22.12 N ATOM 378 CA VAL A 23 7.705 0.959 7.615 1.00 41.54 C ATOM 379 C VAL A 23 7.825 1.269 6.121 1.00 42.33 C ATOM 380 O VAL A 23 8.839 0.944 5.492 1.00 53.12 O ATOM 381 CB VAL A 23 8.932 1.553 8.373 1.00 23.33 C ATOM 382 CG1 VAL A 23 8.893 3.081 8.389 1.00 63.04 C ATOM 383 CG2 VAL A 23 9.032 0.993 9.789 1.00 4.23 C ATOM 0 H VAL A 23 8.475 -0.975 7.905 1.00 22.12 H new ATOM 0 HA VAL A 23 6.810 1.423 8.031 1.00 41.54 H new ATOM 0 HB VAL A 23 9.828 1.251 7.830 1.00 23.33 H new ATOM 0 HG11 VAL A 23 9.762 3.462 8.925 1.00 63.04 H new ATOM 0 HG12 VAL A 23 8.905 3.456 7.366 1.00 63.04 H new ATOM 0 HG13 VAL A 23 7.984 3.417 8.888 1.00 63.04 H new ATOM 0 HG21 VAL A 23 9.897 1.426 10.291 1.00 4.23 H new ATOM 0 HG22 VAL A 23 8.128 1.243 10.344 1.00 4.23 H new ATOM 0 HG23 VAL A 23 9.143 -0.090 9.745 1.00 4.23 H new ATOM 393 N VAL A 24 6.780 1.887 5.563 1.00 14.00 N ATOM 394 CA VAL A 24 6.753 2.226 4.136 1.00 22.54 C ATOM 395 C VAL A 24 5.982 3.522 3.883 1.00 24.45 C ATOM 396 O VAL A 24 5.087 3.884 4.652 1.00 4.04 O ATOM 397 CB VAL A 24 6.142 1.083 3.250 1.00 30.52 C ATOM 398 CG1 VAL A 24 7.020 -0.160 3.263 1.00 13.53 C ATOM 399 CG2 VAL A 24 4.726 0.705 3.681 1.00 42.42 C ATOM 0 H VAL A 24 5.943 2.163 6.076 1.00 14.00 H new ATOM 0 HA VAL A 24 7.795 2.359 3.847 1.00 22.54 H new ATOM 0 HB VAL A 24 6.096 1.481 2.237 1.00 30.52 H new ATOM 0 HG11 VAL A 24 6.568 -0.931 2.640 1.00 13.53 H new ATOM 0 HG12 VAL A 24 8.008 0.088 2.874 1.00 13.53 H new ATOM 0 HG13 VAL A 24 7.114 -0.528 4.285 1.00 13.53 H new ATOM 0 HG21 VAL A 24 4.349 -0.089 3.037 1.00 42.42 H new ATOM 0 HG22 VAL A 24 4.741 0.358 4.714 1.00 42.42 H new ATOM 0 HG23 VAL A 24 4.076 1.576 3.600 1.00 42.42 H new ATOM 409 N HIS A 25 6.345 4.201 2.797 1.00 54.10 N ATOM 410 CA HIS A 25 5.693 5.441 2.395 1.00 74.10 C ATOM 411 C HIS A 25 4.745 5.159 1.231 1.00 33.22 C ATOM 412 O HIS A 25 5.162 4.605 0.209 1.00 41.11 O ATOM 413 CB HIS A 25 6.749 6.474 1.995 1.00 2.24 C ATOM 414 CG HIS A 25 7.100 7.438 3.085 1.00 65.32 C ATOM 415 ND1 HIS A 25 6.229 8.378 3.584 1.00 75.02 N ATOM 416 CD2 HIS A 25 8.259 7.600 3.777 1.00 75.31 C ATOM 417 CE1 HIS A 25 6.869 9.064 4.539 1.00 31.32 C ATOM 418 NE2 HIS A 25 8.103 8.632 4.694 1.00 4.31 N ATOM 0 H HIS A 25 7.097 3.907 2.174 1.00 54.10 H new ATOM 0 HA HIS A 25 5.117 5.843 3.229 1.00 74.10 H new ATOM 0 HB2 HIS A 25 7.653 5.952 1.681 1.00 2.24 H new ATOM 0 HB3 HIS A 25 6.387 7.033 1.132 1.00 2.24 H new ATOM 0 HD2 HIS A 25 9.158 7.019 3.636 1.00 75.31 H new ATOM 0 HE1 HIS A 25 6.429 9.869 5.109 1.00 31.32 H new ATOM 0 HE2 HIS A 25 8.800 8.982 5.351 1.00 4.31 H new ATOM 426 N TYR A 26 3.472 5.541 1.390 1.00 62.35 N ATOM 427 CA TYR A 26 2.461 5.301 0.358 1.00 21.44 C ATOM 428 C TYR A 26 1.896 6.604 -0.221 1.00 74.34 C ATOM 429 O TYR A 26 2.121 7.690 0.320 1.00 64.11 O ATOM 430 CB TYR A 26 1.332 4.410 0.922 1.00 4.12 C ATOM 431 CG TYR A 26 0.420 5.087 1.930 1.00 41.22 C ATOM 432 CD1 TYR A 26 0.718 5.083 3.285 1.00 24.15 C ATOM 433 CD2 TYR A 26 -0.741 5.727 1.514 1.00 5.22 C ATOM 434 CE1 TYR A 26 -0.120 5.701 4.198 1.00 73.10 C ATOM 435 CE2 TYR A 26 -1.579 6.346 2.417 1.00 12.01 C ATOM 436 CZ TYR A 26 -1.265 6.331 3.758 1.00 12.10 C ATOM 437 OH TYR A 26 -2.100 6.947 4.663 1.00 1.22 O ATOM 0 H TYR A 26 3.120 6.016 2.221 1.00 62.35 H new ATOM 0 HA TYR A 26 2.948 4.781 -0.467 1.00 21.44 H new ATOM 0 HB2 TYR A 26 0.725 4.050 0.091 1.00 4.12 H new ATOM 0 HB3 TYR A 26 1.781 3.535 1.392 1.00 4.12 H new ATOM 0 HD1 TYR A 26 1.615 4.592 3.632 1.00 24.15 H new ATOM 0 HD2 TYR A 26 -0.992 5.740 0.464 1.00 5.22 H new ATOM 0 HE1 TYR A 26 0.122 5.690 5.250 1.00 73.10 H new ATOM 0 HE2 TYR A 26 -2.476 6.840 2.075 1.00 12.01 H new ATOM 0 HH TYR A 26 -2.591 7.668 4.217 1.00 1.22 H new ATOM 447 N THR A 27 1.158 6.461 -1.331 1.00 54.44 N ATOM 448 CA THR A 27 0.521 7.583 -2.016 1.00 13.54 C ATOM 449 C THR A 27 -0.777 7.106 -2.682 1.00 42.43 C ATOM 450 O THR A 27 -0.739 6.403 -3.699 1.00 34.01 O ATOM 451 CB THR A 27 1.460 8.211 -3.086 1.00 41.24 C ATOM 452 OG1 THR A 27 2.827 8.127 -2.661 1.00 5.33 O ATOM 453 CG2 THR A 27 1.111 9.672 -3.340 1.00 10.41 C ATOM 0 H THR A 27 0.989 5.559 -1.776 1.00 54.44 H new ATOM 0 HA THR A 27 0.301 8.351 -1.274 1.00 13.54 H new ATOM 0 HB THR A 27 1.324 7.649 -4.010 1.00 41.24 H new ATOM 0 HG1 THR A 27 3.407 8.524 -3.344 1.00 5.33 H new ATOM 0 HG21 THR A 27 1.785 10.082 -4.092 1.00 10.41 H new ATOM 0 HG22 THR A 27 0.083 9.744 -3.696 1.00 10.41 H new ATOM 0 HG23 THR A 27 1.215 10.237 -2.414 1.00 10.41 H new ATOM 461 N GLY A 28 -1.923 7.480 -2.090 1.00 62.24 N ATOM 462 CA GLY A 28 -3.218 7.080 -2.633 1.00 22.33 C ATOM 463 C GLY A 28 -3.773 8.084 -3.629 1.00 23.41 C ATOM 464 O GLY A 28 -4.033 9.239 -3.279 1.00 74.50 O ATOM 0 H GLY A 28 -1.973 8.051 -1.247 1.00 62.24 H new ATOM 0 HA2 GLY A 28 -3.119 6.109 -3.119 1.00 22.33 H new ATOM 0 HA3 GLY A 28 -3.928 6.956 -1.815 1.00 22.33 H new ATOM 468 N MET A 29 -3.949 7.625 -4.872 1.00 72.23 N ATOM 469 CA MET A 29 -4.460 8.456 -5.965 1.00 35.31 C ATOM 470 C MET A 29 -5.551 7.731 -6.734 1.00 35.15 C ATOM 471 O MET A 29 -5.415 6.548 -7.058 1.00 40.34 O ATOM 472 CB MET A 29 -3.319 8.835 -6.913 1.00 63.22 C ATOM 473 CG MET A 29 -2.366 9.883 -6.360 1.00 23.45 C ATOM 474 SD MET A 29 -0.781 9.921 -7.231 1.00 60.11 S ATOM 475 CE MET A 29 -0.014 8.394 -6.671 1.00 24.43 C ATOM 0 H MET A 29 -3.741 6.665 -5.148 1.00 72.23 H new ATOM 0 HA MET A 29 -4.887 9.362 -5.534 1.00 35.31 H new ATOM 0 HB2 MET A 29 -2.751 7.937 -7.156 1.00 63.22 H new ATOM 0 HB3 MET A 29 -3.745 9.205 -7.846 1.00 63.22 H new ATOM 0 HG2 MET A 29 -2.835 10.865 -6.426 1.00 23.45 H new ATOM 0 HG3 MET A 29 -2.189 9.685 -5.303 1.00 23.45 H new ATOM 0 HE1 MET A 29 1.068 8.471 -6.776 1.00 24.43 H new ATOM 0 HE2 MET A 29 -0.266 8.223 -5.624 1.00 24.43 H new ATOM 0 HE3 MET A 29 -0.379 7.562 -7.273 1.00 24.43 H new ATOM 485 N LEU A 30 -6.638 8.463 -7.020 1.00 40.05 N ATOM 486 CA LEU A 30 -7.789 7.934 -7.770 1.00 32.04 C ATOM 487 C LEU A 30 -7.387 7.401 -9.154 1.00 0.41 C ATOM 488 O LEU A 30 -6.245 7.581 -9.589 1.00 4.33 O ATOM 489 CB LEU A 30 -8.847 9.039 -7.931 1.00 20.24 C ATOM 490 CG LEU A 30 -9.846 9.179 -6.778 1.00 42.34 C ATOM 491 CD1 LEU A 30 -10.495 10.554 -6.802 1.00 34.14 C ATOM 492 CD2 LEU A 30 -10.913 8.093 -6.849 1.00 0.13 C ATOM 0 H LEU A 30 -6.745 9.438 -6.739 1.00 40.05 H new ATOM 0 HA LEU A 30 -8.196 7.097 -7.202 1.00 32.04 H new ATOM 0 HB2 LEU A 30 -8.333 9.992 -8.059 1.00 20.24 H new ATOM 0 HB3 LEU A 30 -9.404 8.851 -8.849 1.00 20.24 H new ATOM 0 HG LEU A 30 -9.300 9.064 -5.841 1.00 42.34 H new ATOM 0 HD11 LEU A 30 -11.202 10.637 -5.977 1.00 34.14 H new ATOM 0 HD12 LEU A 30 -9.727 11.321 -6.701 1.00 34.14 H new ATOM 0 HD13 LEU A 30 -11.022 10.691 -7.746 1.00 34.14 H new ATOM 0 HD21 LEU A 30 -11.610 8.213 -6.020 1.00 0.13 H new ATOM 0 HD22 LEU A 30 -11.453 8.175 -7.792 1.00 0.13 H new ATOM 0 HD23 LEU A 30 -10.440 7.113 -6.785 1.00 0.13 H new ATOM 504 N GLU A 31 -8.345 6.747 -9.842 1.00 10.33 N ATOM 505 CA GLU A 31 -8.131 6.188 -11.184 1.00 40.43 C ATOM 506 C GLU A 31 -7.645 7.252 -12.178 1.00 13.34 C ATOM 507 O GLU A 31 -6.957 6.934 -13.154 1.00 3.22 O ATOM 508 CB GLU A 31 -9.432 5.565 -11.689 1.00 23.24 C ATOM 509 CG GLU A 31 -9.218 4.284 -12.467 1.00 62.31 C ATOM 510 CD GLU A 31 -10.516 3.658 -12.937 1.00 4.43 C ATOM 511 OE1 GLU A 31 -10.977 4.009 -14.044 1.00 71.15 O ATOM 512 OE2 GLU A 31 -11.071 2.817 -12.200 1.00 72.00 O ATOM 0 H GLU A 31 -9.286 6.594 -9.480 1.00 10.33 H new ATOM 0 HA GLU A 31 -7.354 5.427 -11.110 1.00 40.43 H new ATOM 0 HB2 GLU A 31 -10.084 5.362 -10.839 1.00 23.24 H new ATOM 0 HB3 GLU A 31 -9.950 6.285 -12.323 1.00 23.24 H new ATOM 0 HG2 GLU A 31 -8.586 4.490 -13.331 1.00 62.31 H new ATOM 0 HG3 GLU A 31 -8.681 3.570 -11.842 1.00 62.31 H new ATOM 519 N ASP A 32 -8.014 8.508 -11.909 1.00 34.23 N ATOM 520 CA ASP A 32 -7.621 9.640 -12.742 1.00 2.24 C ATOM 521 C ASP A 32 -6.282 10.238 -12.289 1.00 23.33 C ATOM 522 O ASP A 32 -5.648 10.974 -13.052 1.00 53.30 O ATOM 523 CB ASP A 32 -8.707 10.716 -12.708 1.00 52.51 C ATOM 524 CG ASP A 32 -9.930 10.337 -13.522 1.00 32.21 C ATOM 525 OD1 ASP A 32 -9.964 10.661 -14.727 1.00 41.21 O ATOM 526 OD2 ASP A 32 -10.853 9.717 -12.953 1.00 44.13 O ATOM 0 H ASP A 32 -8.592 8.764 -11.109 1.00 34.23 H new ATOM 0 HA ASP A 32 -7.498 9.275 -13.762 1.00 2.24 H new ATOM 0 HB2 ASP A 32 -9.004 10.895 -11.675 1.00 52.51 H new ATOM 0 HB3 ASP A 32 -8.298 11.652 -13.088 1.00 52.51 H new ATOM 531 N GLY A 33 -5.855 9.923 -11.050 1.00 51.42 N ATOM 532 CA GLY A 33 -4.585 10.432 -10.548 1.00 4.22 C ATOM 533 C GLY A 33 -4.745 11.529 -9.512 1.00 24.43 C ATOM 534 O GLY A 33 -3.775 12.222 -9.190 1.00 35.01 O ATOM 0 H GLY A 33 -6.367 9.329 -10.397 1.00 51.42 H new ATOM 0 HA2 GLY A 33 -4.019 9.609 -10.111 1.00 4.22 H new ATOM 0 HA3 GLY A 33 -3.999 10.814 -11.384 1.00 4.22 H new HETATM 538 N MLY A 34 -5.969 11.687 -8.991 1.00 33.34 N HETATM 539 CA MLY A 34 -6.257 12.700 -7.979 1.00 10.41 C HETATM 540 CB MLY A 34 -7.696 13.205 -8.121 1.00 31.10 C HETATM 541 CG MLY A 34 -7.862 14.273 -9.191 1.00 32.53 C HETATM 542 CD MLY A 34 -7.921 15.666 -8.584 1.00 45.44 C HETATM 543 CE MLY A 34 -7.676 16.743 -9.631 1.00 24.42 C HETATM 544 NZ MLY A 34 -7.925 18.073 -9.049 1.00 25.53 N HETATM 545 CH1 MLY A 34 -8.995 18.748 -9.800 1.00 63.25 C HETATM 546 CH2 MLY A 34 -6.697 18.881 -9.119 1.00 35.50 C HETATM 547 C MLY A 34 -6.027 12.128 -6.583 1.00 13.44 C HETATM 548 O MLY A 34 -6.756 11.231 -6.140 1.00 42.22 O HETATM 0 HH23 MLY A 34 -5.903 18.385 -8.561 1.00 35.50 H new HETATM 0 HH22 MLY A 34 -6.394 18.993 -10.160 1.00 35.50 H new HETATM 0 HH21 MLY A 34 -6.884 19.865 -8.688 1.00 35.50 H new HETATM 0 HH13 MLY A 34 -8.694 18.859 -10.842 1.00 63.25 H new HETATM 0 HH12 MLY A 34 -9.907 18.154 -9.748 1.00 63.25 H new HETATM 0 HH11 MLY A 34 -9.178 19.732 -9.368 1.00 63.25 H new HETATM 0 HG3 MLY A 34 -7.032 14.217 -9.895 1.00 32.53 H new HETATM 0 HG2 MLY A 34 -8.774 14.083 -9.758 1.00 32.53 H new HETATM 0 HE3 MLY A 34 -6.650 16.682 -9.995 1.00 24.42 H new HETATM 0 HE2 MLY A 34 -8.329 16.584 -10.489 1.00 24.42 H new HETATM 0 HD3 MLY A 34 -8.896 15.822 -8.122 1.00 45.44 H new HETATM 0 HD2 MLY A 34 -7.176 15.751 -7.793 1.00 45.44 H new HETATM 0 HB3 MLY A 34 -8.347 12.363 -8.356 1.00 31.10 H new HETATM 0 HB2 MLY A 34 -8.028 13.607 -7.164 1.00 31.10 H new HETATM 0 HA MLY A 34 -5.582 13.543 -8.126 1.00 10.41 H new HETATM 0 H MLY A 34 -6.689 11.415 -9.660 1.00 33.34 H new HETATM 565 N MLY A 35 -4.990 12.640 -5.901 1.00 11.11 N HETATM 566 CA MLY A 35 -4.632 12.193 -4.557 1.00 61.33 C HETATM 567 CB MLY A 35 -3.422 12.954 -4.044 1.00 75.25 C HETATM 568 CG MLY A 35 -2.455 12.076 -3.291 1.00 53.41 C HETATM 569 CD MLY A 35 -1.466 12.916 -2.499 1.00 45.12 C HETATM 570 CE MLY A 35 -0.172 13.083 -3.264 1.00 62.43 C HETATM 571 NZ MLY A 35 0.773 13.919 -2.498 1.00 22.02 N HETATM 572 CH1 MLY A 35 1.044 15.162 -3.238 1.00 0.41 C HETATM 573 CH2 MLY A 35 2.035 13.190 -2.300 1.00 55.25 C HETATM 574 C MLY A 35 -5.765 12.353 -3.558 1.00 41.14 C HETATM 575 O MLY A 35 -6.573 13.281 -3.652 1.00 10.14 O HETATM 0 HH23 MLY A 35 1.841 12.269 -1.750 1.00 55.25 H new HETATM 0 HH22 MLY A 35 2.472 12.948 -3.269 1.00 55.25 H new HETATM 0 HH21 MLY A 35 2.729 13.811 -1.734 1.00 55.25 H new HETATM 0 HH13 MLY A 35 1.478 14.921 -4.208 1.00 0.41 H new HETATM 0 HH12 MLY A 35 0.113 15.709 -3.384 1.00 0.41 H new HETATM 0 HH11 MLY A 35 1.742 15.778 -2.671 1.00 0.41 H new HETATM 0 HG3 MLY A 35 -3.003 11.419 -2.616 1.00 53.41 H new HETATM 0 HG2 MLY A 35 -1.917 11.436 -3.991 1.00 53.41 H new HETATM 0 HE3 MLY A 35 0.272 12.107 -3.459 1.00 62.43 H new HETATM 0 HE2 MLY A 35 -0.371 13.542 -4.233 1.00 62.43 H new HETATM 0 HD3 MLY A 35 -1.899 13.894 -2.289 1.00 45.12 H new HETATM 0 HD2 MLY A 35 -1.267 12.442 -1.538 1.00 45.12 H new HETATM 0 HB3 MLY A 35 -2.906 13.417 -4.885 1.00 75.25 H new HETATM 0 HB2 MLY A 35 -3.756 13.761 -3.392 1.00 75.25 H new HETATM 0 HA MLY A 35 -4.406 11.130 -4.645 1.00 61.33 H new HETATM 0 H MLY A 35 -4.444 13.371 -6.358 1.00 11.11 H new ATOM 592 N PHE A 36 -5.798 11.424 -2.609 1.00 13.53 N ATOM 593 CA PHE A 36 -6.797 11.426 -1.557 1.00 33.32 C ATOM 594 C PHE A 36 -6.160 11.161 -0.188 1.00 4.15 C ATOM 595 O PHE A 36 -6.803 11.393 0.841 1.00 61.44 O ATOM 596 CB PHE A 36 -7.926 10.415 -1.858 1.00 44.41 C ATOM 597 CG PHE A 36 -7.492 8.993 -2.139 1.00 74.11 C ATOM 598 CD1 PHE A 36 -7.468 8.510 -3.436 1.00 13.01 C ATOM 599 CD2 PHE A 36 -7.144 8.139 -1.103 1.00 2.42 C ATOM 600 CE1 PHE A 36 -7.105 7.203 -3.698 1.00 1.12 C ATOM 601 CE2 PHE A 36 -6.774 6.833 -1.359 1.00 50.31 C ATOM 602 CZ PHE A 36 -6.757 6.362 -2.658 1.00 32.03 C ATOM 0 H PHE A 36 -5.133 10.652 -2.551 1.00 13.53 H new ATOM 0 HA PHE A 36 -7.245 12.419 -1.525 1.00 33.32 H new ATOM 0 HB2 PHE A 36 -8.610 10.403 -1.010 1.00 44.41 H new ATOM 0 HB3 PHE A 36 -8.490 10.777 -2.717 1.00 44.41 H new ATOM 0 HD1 PHE A 36 -7.736 9.163 -4.253 1.00 13.01 H new ATOM 0 HD2 PHE A 36 -7.163 8.499 -0.085 1.00 2.42 H new ATOM 0 HE1 PHE A 36 -7.093 6.839 -4.715 1.00 1.12 H new ATOM 0 HE2 PHE A 36 -6.498 6.180 -0.544 1.00 50.31 H new ATOM 0 HZ PHE A 36 -6.473 5.340 -2.860 1.00 32.03 H new ATOM 612 N ASP A 37 -4.887 10.684 -0.178 1.00 71.54 N ATOM 613 CA ASP A 37 -4.169 10.389 1.080 1.00 12.22 C ATOM 614 C ASP A 37 -2.750 9.874 0.827 1.00 5.44 C ATOM 615 O ASP A 37 -2.554 8.766 0.314 1.00 15.20 O ATOM 616 CB ASP A 37 -4.921 9.345 1.932 1.00 35.30 C ATOM 617 CG ASP A 37 -4.816 9.622 3.420 1.00 41.23 C ATOM 618 OD1 ASP A 37 -3.869 9.111 4.054 1.00 70.34 O ATOM 619 OD2 ASP A 37 -5.681 10.351 3.951 1.00 70.24 O ATOM 0 H ASP A 37 -4.345 10.499 -1.022 1.00 71.54 H new ATOM 0 HA ASP A 37 -4.116 11.335 1.620 1.00 12.22 H new ATOM 0 HB2 ASP A 37 -5.972 9.333 1.642 1.00 35.30 H new ATOM 0 HB3 ASP A 37 -4.521 8.353 1.722 1.00 35.30 H new ATOM 624 N SER A 38 -1.771 10.708 1.175 1.00 35.14 N ATOM 625 CA SER A 38 -0.356 10.347 1.069 1.00 72.05 C ATOM 626 C SER A 38 0.326 10.487 2.430 1.00 61.33 C ATOM 627 O SER A 38 0.082 11.452 3.159 1.00 53.42 O ATOM 628 CB SER A 38 0.350 11.199 0.012 1.00 1.53 C ATOM 629 OG SER A 38 1.755 10.991 0.018 1.00 1.21 O ATOM 0 H SER A 38 -1.934 11.648 1.536 1.00 35.14 H new ATOM 0 HA SER A 38 -0.287 9.306 0.753 1.00 72.05 H new ATOM 0 HB2 SER A 38 -0.049 10.959 -0.974 1.00 1.53 H new ATOM 0 HB3 SER A 38 0.138 12.253 0.194 1.00 1.53 H new ATOM 0 HG SER A 38 1.944 10.033 0.107 1.00 1.21 H new ATOM 635 N SER A 39 1.180 9.511 2.756 1.00 34.10 N ATOM 636 CA SER A 39 1.914 9.489 4.033 1.00 3.40 C ATOM 637 C SER A 39 3.126 10.432 4.033 1.00 71.04 C ATOM 638 O SER A 39 3.444 11.042 5.058 1.00 14.42 O ATOM 639 CB SER A 39 2.368 8.063 4.355 1.00 71.12 C ATOM 640 OG SER A 39 3.164 7.528 3.311 1.00 65.25 O ATOM 0 H SER A 39 1.384 8.717 2.149 1.00 34.10 H new ATOM 0 HA SER A 39 1.227 9.843 4.801 1.00 3.40 H new ATOM 0 HB2 SER A 39 2.936 8.061 5.286 1.00 71.12 H new ATOM 0 HB3 SER A 39 1.496 7.428 4.512 1.00 71.12 H new ATOM 0 HG SER A 39 4.094 7.812 3.430 1.00 65.25 H new ATOM 646 N ARG A 40 3.792 10.540 2.874 1.00 52.53 N ATOM 647 CA ARG A 40 4.986 11.393 2.708 1.00 1.22 C ATOM 648 C ARG A 40 4.648 12.894 2.695 1.00 23.13 C ATOM 649 O ARG A 40 5.511 13.725 2.993 1.00 22.12 O ATOM 650 CB ARG A 40 5.753 11.012 1.427 1.00 50.10 C ATOM 651 CG ARG A 40 4.869 10.856 0.194 1.00 40.44 C ATOM 652 CD ARG A 40 5.465 11.549 -1.020 1.00 34.30 C ATOM 653 NE ARG A 40 4.658 11.337 -2.226 1.00 13.41 N ATOM 654 CZ ARG A 40 4.991 11.764 -3.454 1.00 54.32 C ATOM 655 NH1 ARG A 40 6.122 12.434 -3.668 1.00 24.54 N ATOM 656 NH2 ARG A 40 4.181 11.517 -4.475 1.00 51.01 N ATOM 0 H ARG A 40 3.522 10.042 2.026 1.00 52.53 H new ATOM 0 HA ARG A 40 5.619 11.213 3.577 1.00 1.22 H new ATOM 0 HB2 ARG A 40 6.506 11.775 1.227 1.00 50.10 H new ATOM 0 HB3 ARG A 40 6.285 10.077 1.600 1.00 50.10 H new ATOM 0 HG2 ARG A 40 4.732 9.797 -0.023 1.00 40.44 H new ATOM 0 HG3 ARG A 40 3.882 11.269 0.400 1.00 40.44 H new ATOM 0 HD2 ARG A 40 5.548 12.618 -0.823 1.00 34.30 H new ATOM 0 HD3 ARG A 40 6.475 11.177 -1.190 1.00 34.30 H new ATOM 0 HE ARG A 40 3.780 10.828 -2.124 1.00 13.41 H new ATOM 0 HH11 ARG A 40 6.753 12.631 -2.891 1.00 24.54 H new ATOM 0 HH12 ARG A 40 6.357 12.750 -4.609 1.00 24.54 H new ATOM 0 HH21 ARG A 40 3.311 11.006 -4.324 1.00 51.01 H new ATOM 0 HH22 ARG A 40 4.428 11.839 -5.411 1.00 51.01 H new ATOM 670 N ASP A 41 3.391 13.230 2.351 1.00 23.13 N ATOM 671 CA ASP A 41 2.929 14.630 2.310 1.00 52.45 C ATOM 672 C ASP A 41 2.985 15.267 3.702 1.00 31.20 C ATOM 673 O ASP A 41 3.152 16.483 3.836 1.00 42.45 O ATOM 674 CB ASP A 41 1.501 14.701 1.766 1.00 64.34 C ATOM 675 CG ASP A 41 1.251 15.948 0.938 1.00 34.14 C ATOM 676 OD1 ASP A 41 0.808 16.963 1.514 1.00 51.32 O ATOM 677 OD2 ASP A 41 1.498 15.907 -0.285 1.00 2.32 O ATOM 0 H ASP A 41 2.675 12.549 2.097 1.00 23.13 H new ATOM 0 HA ASP A 41 3.594 15.185 1.648 1.00 52.45 H new ATOM 0 HB2 ASP A 41 1.305 13.819 1.156 1.00 64.34 H new ATOM 0 HB3 ASP A 41 0.798 14.676 2.598 1.00 64.34 H new ATOM 682 N ARG A 42 2.842 14.419 4.726 1.00 55.15 N ATOM 683 CA ARG A 42 2.896 14.848 6.125 1.00 51.54 C ATOM 684 C ARG A 42 4.307 14.628 6.686 1.00 4.45 C ATOM 685 O ARG A 42 4.578 14.919 7.857 1.00 25.12 O ATOM 686 CB ARG A 42 1.865 14.079 6.969 1.00 71.30 C ATOM 687 CG ARG A 42 0.433 14.183 6.453 1.00 51.14 C ATOM 688 CD ARG A 42 -0.588 13.901 7.548 1.00 2.40 C ATOM 689 NE ARG A 42 -0.699 15.010 8.506 1.00 12.24 N ATOM 690 CZ ARG A 42 -1.589 15.070 9.507 1.00 53.41 C ATOM 691 NH1 ARG A 42 -2.468 14.089 9.708 1.00 24.54 N ATOM 692 NH2 ARG A 42 -1.599 16.123 10.312 1.00 13.42 N ATOM 0 H ARG A 42 2.686 13.418 4.607 1.00 55.15 H new ATOM 0 HA ARG A 42 2.655 15.910 6.172 1.00 51.54 H new ATOM 0 HB2 ARG A 42 2.152 13.028 7.004 1.00 71.30 H new ATOM 0 HB3 ARG A 42 1.899 14.452 7.993 1.00 71.30 H new ATOM 0 HG2 ARG A 42 0.265 15.181 6.048 1.00 51.14 H new ATOM 0 HG3 ARG A 42 0.290 13.478 5.634 1.00 51.14 H new ATOM 0 HD2 ARG A 42 -1.562 13.716 7.095 1.00 2.40 H new ATOM 0 HD3 ARG A 42 -0.306 12.992 8.079 1.00 2.40 H new ATOM 0 HE ARG A 42 -0.052 15.791 8.402 1.00 12.24 H new ATOM 0 HH11 ARG A 42 -2.472 13.274 9.095 1.00 24.54 H new ATOM 0 HH12 ARG A 42 -3.137 14.153 10.475 1.00 24.54 H new ATOM 0 HH21 ARG A 42 -0.932 16.881 10.168 1.00 13.42 H new ATOM 0 HH22 ARG A 42 -2.273 16.175 11.075 1.00 13.42 H new ATOM 706 N ASN A 43 5.210 14.116 5.816 1.00 54.33 N ATOM 707 CA ASN A 43 6.622 13.824 6.155 1.00 4.33 C ATOM 708 C ASN A 43 6.731 12.720 7.228 1.00 11.11 C ATOM 709 O ASN A 43 7.604 12.768 8.104 1.00 34.31 O ATOM 710 CB ASN A 43 7.363 15.109 6.596 1.00 24.02 C ATOM 711 CG ASN A 43 8.865 15.026 6.383 1.00 72.44 C ATOM 712 OD1 ASN A 43 9.604 14.583 7.262 1.00 40.11 O ATOM 713 ND2 ASN A 43 9.322 15.454 5.212 1.00 53.22 N ATOM 0 H ASN A 43 4.975 13.892 4.849 1.00 54.33 H new ATOM 0 HA ASN A 43 7.107 13.449 5.253 1.00 4.33 H new ATOM 0 HB2 ASN A 43 6.968 15.959 6.040 1.00 24.02 H new ATOM 0 HB3 ASN A 43 7.160 15.296 7.651 1.00 24.02 H new ATOM 0 HD21 ASN A 43 10.322 15.423 5.013 1.00 53.22 H new ATOM 0 HD22 ASN A 43 8.673 15.814 4.512 1.00 53.22 H new HETATM 720 N MLY A 44 5.845 11.711 7.134 1.00 34.54 N HETATM 721 CA MLY A 44 5.838 10.598 8.097 1.00 24.12 C HETATM 722 CB MLY A 44 4.880 10.880 9.258 1.00 25.45 C HETATM 723 CG MLY A 44 5.506 11.709 10.369 1.00 5.24 C HETATM 724 CD MLY A 44 4.510 12.696 10.958 1.00 1.13 C HETATM 725 CE MLY A 44 5.143 13.540 12.056 1.00 34.53 C HETATM 726 NZ MLY A 44 4.372 14.781 12.241 1.00 51.05 N HETATM 727 CH1 MLY A 44 5.237 15.943 11.985 1.00 12.22 C HETATM 728 CH2 MLY A 44 3.864 14.846 13.621 1.00 50.43 C HETATM 729 C MLY A 44 5.463 9.272 7.428 1.00 2.04 C HETATM 730 O MLY A 44 4.419 9.182 6.774 1.00 74.11 O HETATM 0 HH23 MLY A 44 3.220 13.988 13.812 1.00 50.43 H new HETATM 0 HH22 MLY A 44 4.702 14.833 14.318 1.00 50.43 H new HETATM 0 HH21 MLY A 44 3.294 15.765 13.756 1.00 50.43 H new HETATM 0 HH13 MLY A 44 6.077 15.932 12.680 1.00 12.22 H new HETATM 0 HH12 MLY A 44 5.612 15.899 10.962 1.00 12.22 H new HETATM 0 HH11 MLY A 44 4.664 16.860 12.122 1.00 12.22 H new HETATM 0 HG3 MLY A 44 5.873 11.048 11.155 1.00 5.24 H new HETATM 0 HG2 MLY A 44 6.368 12.250 9.979 1.00 5.24 H new HETATM 0 HE3 MLY A 44 5.172 12.977 12.989 1.00 34.53 H new HETATM 0 HE2 MLY A 44 6.174 13.778 11.795 1.00 34.53 H new HETATM 0 HD3 MLY A 44 4.132 13.347 10.170 1.00 1.13 H new HETATM 0 HD2 MLY A 44 3.655 12.154 11.362 1.00 1.13 H new HETATM 0 HB3 MLY A 44 4.002 11.401 8.877 1.00 25.45 H new HETATM 0 HB2 MLY A 44 4.534 9.933 9.672 1.00 25.45 H new HETATM 0 HA MLY A 44 6.852 10.510 8.487 1.00 24.12 H new ATOM 747 N PRO A 45 6.322 8.215 7.579 1.00 62.03 N ATOM 748 CA PRO A 45 6.070 6.887 6.988 1.00 10.31 C ATOM 749 C PRO A 45 4.965 6.110 7.710 1.00 72.54 C ATOM 750 O PRO A 45 4.664 6.382 8.876 1.00 63.34 O ATOM 751 CB PRO A 45 7.416 6.168 7.121 1.00 65.23 C ATOM 752 CG PRO A 45 8.118 6.833 8.258 1.00 52.33 C ATOM 753 CD PRO A 45 7.605 8.248 8.325 1.00 64.14 C ATOM 0 HA PRO A 45 5.718 6.969 5.960 1.00 10.31 H new ATOM 0 HB2 PRO A 45 7.275 5.105 7.316 1.00 65.23 H new ATOM 0 HB3 PRO A 45 7.996 6.249 6.202 1.00 65.23 H new ATOM 0 HG2 PRO A 45 7.922 6.307 9.193 1.00 52.33 H new ATOM 0 HG3 PRO A 45 9.197 6.821 8.105 1.00 52.33 H new ATOM 0 HD2 PRO A 45 7.456 8.568 9.356 1.00 64.14 H new ATOM 0 HD3 PRO A 45 8.309 8.947 7.873 1.00 64.14 H new ATOM 761 N PHE A 46 4.374 5.146 7.000 1.00 52.43 N ATOM 762 CA PHE A 46 3.288 4.331 7.542 1.00 12.42 C ATOM 763 C PHE A 46 3.768 2.940 7.966 1.00 54.51 C ATOM 764 O PHE A 46 4.268 2.161 7.147 1.00 73.33 O ATOM 765 CB PHE A 46 2.170 4.215 6.501 1.00 50.23 C ATOM 766 CG PHE A 46 0.821 3.871 7.079 1.00 55.12 C ATOM 767 CD1 PHE A 46 -0.014 4.859 7.580 1.00 52.33 C ATOM 768 CD2 PHE A 46 0.395 2.554 7.122 1.00 4.32 C ATOM 769 CE1 PHE A 46 -1.249 4.537 8.111 1.00 34.13 C ATOM 770 CE2 PHE A 46 -0.838 2.226 7.651 1.00 4.13 C ATOM 771 CZ PHE A 46 -1.661 3.218 8.147 1.00 10.44 C ATOM 0 H PHE A 46 4.633 4.911 6.042 1.00 52.43 H new ATOM 0 HA PHE A 46 2.910 4.825 8.437 1.00 12.42 H new ATOM 0 HB2 PHE A 46 2.092 5.159 5.962 1.00 50.23 H new ATOM 0 HB3 PHE A 46 2.445 3.453 5.772 1.00 50.23 H new ATOM 0 HD1 PHE A 46 0.304 5.891 7.555 1.00 52.33 H new ATOM 0 HD2 PHE A 46 1.035 1.774 6.737 1.00 4.32 H new ATOM 0 HE1 PHE A 46 -1.891 5.315 8.497 1.00 34.13 H new ATOM 0 HE2 PHE A 46 -1.158 1.195 7.677 1.00 4.13 H new ATOM 0 HZ PHE A 46 -2.625 2.964 8.562 1.00 10.44 H new HETATM 781 N MLY A 47 3.613 2.656 9.262 1.00 21.12 N HETATM 782 CA MLY A 47 3.990 1.365 9.845 1.00 63.34 C HETATM 783 CB MLY A 47 4.818 1.583 11.118 1.00 43.31 C HETATM 784 CG MLY A 47 5.773 2.759 11.008 1.00 32.35 C HETATM 785 CD MLY A 47 6.744 2.837 12.161 1.00 72.20 C HETATM 786 CE MLY A 47 7.952 3.654 11.752 1.00 42.23 C HETATM 787 NZ MLY A 47 8.862 3.834 12.896 1.00 35.31 N HETATM 788 CH1 MLY A 47 8.855 5.245 13.317 1.00 43.20 C HETATM 789 CH2 MLY A 47 10.226 3.450 12.505 1.00 74.45 C HETATM 790 C MLY A 47 2.740 0.552 10.167 1.00 63.22 C HETATM 791 O MLY A 47 1.792 1.078 10.758 1.00 51.34 O HETATM 0 HH23 MLY A 47 10.235 2.405 12.196 1.00 74.45 H new HETATM 0 HH22 MLY A 47 10.557 4.076 11.677 1.00 74.45 H new HETATM 0 HH21 MLY A 47 10.899 3.584 13.352 1.00 74.45 H new HETATM 0 HH13 MLY A 47 9.186 5.873 12.490 1.00 43.20 H new HETATM 0 HH12 MLY A 47 7.845 5.532 13.610 1.00 43.20 H new HETATM 0 HH11 MLY A 47 9.529 5.375 14.164 1.00 43.20 H new HETATM 0 HG3 MLY A 47 6.331 2.682 10.075 1.00 32.35 H new HETATM 0 HG2 MLY A 47 5.198 3.684 10.960 1.00 32.35 H new HETATM 0 HE3 MLY A 47 8.477 3.156 10.937 1.00 42.23 H new HETATM 0 HE2 MLY A 47 7.632 4.626 11.378 1.00 42.23 H new HETATM 0 HD3 MLY A 47 6.261 3.291 13.026 1.00 72.20 H new HETATM 0 HD2 MLY A 47 7.053 1.835 12.458 1.00 72.20 H new HETATM 0 HB3 MLY A 47 4.145 1.746 11.960 1.00 43.31 H new HETATM 0 HB2 MLY A 47 5.387 0.679 11.335 1.00 43.31 H new HETATM 0 HA MLY A 47 4.593 0.815 9.123 1.00 63.34 H new HETATM 0 H MLY A 47 3.906 3.524 9.711 1.00 21.12 H new ATOM 808 N PHE A 48 2.744 -0.732 9.776 1.00 63.04 N ATOM 809 CA PHE A 48 1.599 -1.626 10.012 1.00 23.12 C ATOM 810 C PHE A 48 2.052 -3.081 10.200 1.00 45.43 C ATOM 811 O PHE A 48 3.167 -3.444 9.817 1.00 53.22 O ATOM 812 CB PHE A 48 0.585 -1.521 8.846 1.00 60.34 C ATOM 813 CG PHE A 48 1.092 -2.027 7.516 1.00 23.12 C ATOM 814 CD1 PHE A 48 1.887 -1.232 6.704 1.00 65.44 C ATOM 815 CD2 PHE A 48 0.771 -3.304 7.087 1.00 64.54 C ATOM 816 CE1 PHE A 48 2.349 -1.705 5.490 1.00 53.32 C ATOM 817 CE2 PHE A 48 1.230 -3.780 5.876 1.00 73.33 C ATOM 818 CZ PHE A 48 2.020 -2.980 5.076 1.00 3.21 C ATOM 0 H PHE A 48 3.527 -1.175 9.295 1.00 63.04 H new ATOM 0 HA PHE A 48 1.111 -1.309 10.934 1.00 23.12 H new ATOM 0 HB2 PHE A 48 -0.312 -2.079 9.113 1.00 60.34 H new ATOM 0 HB3 PHE A 48 0.290 -0.478 8.733 1.00 60.34 H new ATOM 0 HD1 PHE A 48 2.148 -0.234 7.023 1.00 65.44 H new ATOM 0 HD2 PHE A 48 0.153 -3.936 7.708 1.00 64.54 H new ATOM 0 HE1 PHE A 48 2.967 -1.077 4.866 1.00 53.32 H new ATOM 0 HE2 PHE A 48 0.971 -4.778 5.554 1.00 73.33 H new ATOM 0 HZ PHE A 48 2.380 -3.351 4.128 1.00 3.21 H new ATOM 828 N MET A 49 1.171 -3.902 10.784 1.00 33.23 N ATOM 829 CA MET A 49 1.455 -5.317 11.012 1.00 71.14 C ATOM 830 C MET A 49 0.671 -6.185 10.034 1.00 22.43 C ATOM 831 O MET A 49 -0.532 -5.985 9.844 1.00 41.24 O ATOM 832 CB MET A 49 1.101 -5.708 12.446 1.00 22.35 C ATOM 833 CG MET A 49 2.304 -5.845 13.357 1.00 60.11 C ATOM 834 SD MET A 49 1.839 -5.992 15.090 1.00 51.55 S ATOM 835 CE MET A 49 3.446 -6.209 15.842 1.00 63.41 C ATOM 0 H MET A 49 0.251 -3.604 11.108 1.00 33.23 H new ATOM 0 HA MET A 49 2.521 -5.479 10.852 1.00 71.14 H new ATOM 0 HB2 MET A 49 0.426 -4.959 12.861 1.00 22.35 H new ATOM 0 HB3 MET A 49 0.558 -6.653 12.432 1.00 22.35 H new ATOM 0 HG2 MET A 49 2.881 -6.722 13.063 1.00 60.11 H new ATOM 0 HG3 MET A 49 2.953 -4.979 13.230 1.00 60.11 H new ATOM 0 HE1 MET A 49 3.433 -7.094 16.479 1.00 63.41 H new ATOM 0 HE2 MET A 49 4.198 -6.333 15.063 1.00 63.41 H new ATOM 0 HE3 MET A 49 3.688 -5.333 16.443 1.00 63.41 H new ATOM 845 N LEU A 50 1.367 -7.149 9.417 1.00 22.40 N ATOM 846 CA LEU A 50 0.757 -8.072 8.452 1.00 23.24 C ATOM 847 C LEU A 50 -0.046 -9.163 9.149 1.00 71.40 C ATOM 848 O LEU A 50 0.374 -9.692 10.182 1.00 63.44 O ATOM 849 CB LEU A 50 1.840 -8.729 7.576 1.00 74.22 C ATOM 850 CG LEU A 50 2.107 -8.116 6.185 1.00 62.03 C ATOM 851 CD1 LEU A 50 0.833 -7.963 5.372 1.00 23.44 C ATOM 852 CD2 LEU A 50 2.850 -6.790 6.299 1.00 72.11 C ATOM 0 H LEU A 50 2.362 -7.310 9.572 1.00 22.40 H new ATOM 0 HA LEU A 50 0.082 -7.485 7.829 1.00 23.24 H new ATOM 0 HB2 LEU A 50 2.776 -8.715 8.134 1.00 74.22 H new ATOM 0 HB3 LEU A 50 1.568 -9.775 7.435 1.00 74.22 H new ATOM 0 HG LEU A 50 2.747 -8.816 5.647 1.00 62.03 H new ATOM 0 HD11 LEU A 50 1.071 -7.528 4.401 1.00 23.44 H new ATOM 0 HD12 LEU A 50 0.373 -8.941 5.228 1.00 23.44 H new ATOM 0 HD13 LEU A 50 0.139 -7.310 5.902 1.00 23.44 H new ATOM 0 HD21 LEU A 50 3.023 -6.383 5.303 1.00 72.11 H new ATOM 0 HD22 LEU A 50 2.252 -6.087 6.879 1.00 72.11 H new ATOM 0 HD23 LEU A 50 3.806 -6.950 6.797 1.00 72.11 H new ATOM 864 N GLY A 51 -1.203 -9.485 8.564 1.00 35.24 N ATOM 865 CA GLY A 51 -2.079 -10.510 9.116 1.00 71.31 C ATOM 866 C GLY A 51 -2.964 -10.003 10.250 1.00 50.01 C ATOM 867 O GLY A 51 -3.889 -10.701 10.674 1.00 31.34 O ATOM 0 H GLY A 51 -1.550 -9.049 7.710 1.00 35.24 H new ATOM 0 HA2 GLY A 51 -2.711 -10.905 8.320 1.00 71.31 H new ATOM 0 HA3 GLY A 51 -1.472 -11.338 9.481 1.00 71.31 H new HETATM 871 N MLY A 52 -2.673 -8.784 10.738 1.00 22.42 N HETATM 872 CA MLY A 52 -3.448 -8.161 11.819 1.00 50.33 C HETATM 873 CB MLY A 52 -2.596 -7.139 12.593 1.00 33.52 C HETATM 874 CG MLY A 52 -1.541 -7.742 13.525 1.00 64.24 C HETATM 875 CD MLY A 52 -2.156 -8.612 14.621 1.00 72.22 C HETATM 876 CE MLY A 52 -1.427 -8.451 15.949 1.00 30.34 C HETATM 877 NZ MLY A 52 -1.973 -7.296 16.683 1.00 33.24 N HETATM 878 CH1 MLY A 52 -0.892 -6.343 16.976 1.00 11.24 C HETATM 879 CH2 MLY A 52 -2.576 -7.752 17.946 1.00 42.22 C HETATM 880 C MLY A 52 -4.691 -7.468 11.263 1.00 12.24 C HETATM 881 O MLY A 52 -5.608 -7.121 12.014 1.00 14.32 O HETATM 0 HH23 MLY A 52 -3.379 -8.457 17.732 1.00 42.22 H new HETATM 0 HH22 MLY A 52 -1.817 -8.242 18.556 1.00 42.22 H new HETATM 0 HH21 MLY A 52 -2.979 -6.896 18.487 1.00 42.22 H new HETATM 0 HH13 MLY A 52 -0.131 -6.832 17.584 1.00 11.24 H new HETATM 0 HH12 MLY A 52 -0.446 -6.001 16.042 1.00 11.24 H new HETATM 0 HH11 MLY A 52 -1.297 -5.489 17.519 1.00 11.24 H new HETATM 0 HG3 MLY A 52 -0.843 -8.341 12.939 1.00 64.24 H new HETATM 0 HG2 MLY A 52 -0.965 -6.939 13.984 1.00 64.24 H new HETATM 0 HE3 MLY A 52 -1.536 -9.357 16.546 1.00 30.34 H new HETATM 0 HE2 MLY A 52 -0.360 -8.311 15.774 1.00 30.34 H new HETATM 0 HD3 MLY A 52 -3.206 -8.347 14.749 1.00 72.22 H new HETATM 0 HD2 MLY A 52 -2.126 -9.658 14.315 1.00 72.22 H new HETATM 0 HB3 MLY A 52 -2.095 -6.490 11.875 1.00 33.52 H new HETATM 0 HB2 MLY A 52 -3.261 -6.508 13.183 1.00 33.52 H new HETATM 0 HA MLY A 52 -3.754 -8.954 12.502 1.00 50.33 H new HETATM 0 H MLY A 52 -1.700 -8.516 10.588 1.00 22.42 H new ATOM 898 N GLN A 53 -4.698 -7.269 9.928 1.00 64.22 N ATOM 899 CA GLN A 53 -5.815 -6.629 9.188 1.00 1.55 C ATOM 900 C GLN A 53 -5.924 -5.122 9.493 1.00 54.20 C ATOM 901 O GLN A 53 -7.004 -4.525 9.383 1.00 41.22 O ATOM 902 CB GLN A 53 -7.163 -7.343 9.450 1.00 51.25 C ATOM 903 CG GLN A 53 -7.185 -8.800 9.006 1.00 51.21 C ATOM 904 CD GLN A 53 -8.589 -9.368 8.938 1.00 32.32 C ATOM 905 OE1 GLN A 53 -9.250 -9.299 7.902 1.00 62.40 O ATOM 906 NE2 GLN A 53 -9.053 -9.935 10.046 1.00 1.32 N ATOM 0 H GLN A 53 -3.924 -7.549 9.325 1.00 64.22 H new ATOM 0 HA GLN A 53 -5.583 -6.734 8.128 1.00 1.55 H new ATOM 0 HB2 GLN A 53 -7.388 -7.294 10.515 1.00 51.25 H new ATOM 0 HB3 GLN A 53 -7.956 -6.803 8.932 1.00 51.25 H new ATOM 0 HG2 GLN A 53 -6.715 -8.884 8.026 1.00 51.21 H new ATOM 0 HG3 GLN A 53 -6.589 -9.396 9.698 1.00 51.21 H new ATOM 0 HE21 GLN A 53 -8.471 -9.971 10.883 1.00 1.32 H new ATOM 0 HE22 GLN A 53 -9.991 -10.335 10.060 1.00 1.32 H new ATOM 915 N GLU A 54 -4.784 -4.509 9.852 1.00 41.31 N ATOM 916 CA GLU A 54 -4.718 -3.067 10.154 1.00 72.24 C ATOM 917 C GLU A 54 -4.740 -2.238 8.865 1.00 75.25 C ATOM 918 O GLU A 54 -4.943 -1.021 8.898 1.00 34.30 O ATOM 919 CB GLU A 54 -3.445 -2.737 10.943 1.00 53.34 C ATOM 920 CG GLU A 54 -3.434 -3.288 12.359 1.00 11.31 C ATOM 921 CD GLU A 54 -2.191 -2.893 13.130 1.00 20.35 C ATOM 922 OE1 GLU A 54 -1.192 -3.640 13.068 1.00 44.02 O ATOM 923 OE2 GLU A 54 -2.216 -1.836 13.795 1.00 15.22 O ATOM 0 H GLU A 54 -3.890 -4.992 9.941 1.00 41.31 H new ATOM 0 HA GLU A 54 -5.591 -2.816 10.756 1.00 72.24 H new ATOM 0 HB2 GLU A 54 -2.584 -3.132 10.404 1.00 53.34 H new ATOM 0 HB3 GLU A 54 -3.326 -1.654 10.985 1.00 53.34 H new ATOM 0 HG2 GLU A 54 -4.316 -2.930 12.891 1.00 11.31 H new ATOM 0 HG3 GLU A 54 -3.504 -4.375 12.322 1.00 11.31 H new ATOM 930 N VAL A 55 -4.530 -2.926 7.741 1.00 22.22 N ATOM 931 CA VAL A 55 -4.510 -2.303 6.417 1.00 23.14 C ATOM 932 C VAL A 55 -5.457 -3.047 5.459 1.00 5.11 C ATOM 933 O VAL A 55 -6.125 -4.005 5.864 1.00 74.45 O ATOM 934 CB VAL A 55 -3.059 -2.236 5.839 1.00 71.05 C ATOM 935 CG1 VAL A 55 -2.213 -1.263 6.652 1.00 61.41 C ATOM 936 CG2 VAL A 55 -2.382 -3.609 5.794 1.00 43.13 C ATOM 0 H VAL A 55 -4.369 -3.933 7.724 1.00 22.22 H new ATOM 0 HA VAL A 55 -4.864 -1.277 6.521 1.00 23.14 H new ATOM 0 HB VAL A 55 -3.140 -1.882 4.811 1.00 71.05 H new ATOM 0 HG11 VAL A 55 -1.205 -1.225 6.240 1.00 61.41 H new ATOM 0 HG12 VAL A 55 -2.660 -0.270 6.610 1.00 61.41 H new ATOM 0 HG13 VAL A 55 -2.169 -1.597 7.688 1.00 61.41 H new ATOM 0 HG21 VAL A 55 -1.377 -3.506 5.385 1.00 43.13 H new ATOM 0 HG22 VAL A 55 -2.323 -4.019 6.802 1.00 43.13 H new ATOM 0 HG23 VAL A 55 -2.964 -4.281 5.163 1.00 43.13 H new ATOM 946 N ILE A 56 -5.510 -2.604 4.195 1.00 52.14 N ATOM 947 CA ILE A 56 -6.381 -3.224 3.184 1.00 1.25 C ATOM 948 C ILE A 56 -5.782 -4.523 2.629 1.00 22.44 C ATOM 949 O ILE A 56 -4.570 -4.741 2.712 1.00 40.42 O ATOM 950 CB ILE A 56 -6.726 -2.250 2.018 1.00 14.41 C ATOM 951 CG1 ILE A 56 -5.489 -1.463 1.525 1.00 4.24 C ATOM 952 CG2 ILE A 56 -7.829 -1.297 2.472 1.00 53.42 C ATOM 953 CD1 ILE A 56 -5.662 -0.819 0.157 1.00 34.03 C ATOM 0 H ILE A 56 -4.960 -1.818 3.847 1.00 52.14 H new ATOM 0 HA ILE A 56 -7.309 -3.468 3.700 1.00 1.25 H new ATOM 0 HB ILE A 56 -7.074 -2.842 1.171 1.00 14.41 H new ATOM 0 HG12 ILE A 56 -5.253 -0.686 2.252 1.00 4.24 H new ATOM 0 HG13 ILE A 56 -4.633 -2.138 1.491 1.00 4.24 H new ATOM 0 HG21 ILE A 56 -8.075 -0.612 1.660 1.00 53.42 H new ATOM 0 HG22 ILE A 56 -8.715 -1.870 2.745 1.00 53.42 H new ATOM 0 HG23 ILE A 56 -7.485 -0.727 3.335 1.00 53.42 H new ATOM 0 HD11 ILE A 56 -4.749 -0.288 -0.113 1.00 34.03 H new ATOM 0 HD12 ILE A 56 -5.866 -1.591 -0.585 1.00 34.03 H new ATOM 0 HD13 ILE A 56 -6.495 -0.117 0.188 1.00 34.03 H new ATOM 965 N ARG A 57 -6.653 -5.378 2.064 1.00 73.41 N ATOM 966 CA ARG A 57 -6.248 -6.676 1.496 1.00 3.13 C ATOM 967 C ARG A 57 -5.220 -6.511 0.371 1.00 73.31 C ATOM 968 O ARG A 57 -4.235 -7.253 0.310 1.00 3.15 O ATOM 969 CB ARG A 57 -7.480 -7.428 0.981 1.00 41.00 C ATOM 970 CG ARG A 57 -7.345 -8.940 1.045 1.00 54.31 C ATOM 971 CD ARG A 57 -8.658 -9.628 0.715 1.00 33.13 C ATOM 972 NE ARG A 57 -8.601 -11.073 0.960 1.00 45.05 N ATOM 973 CZ ARG A 57 -9.644 -11.908 0.853 1.00 12.11 C ATOM 974 NH1 ARG A 57 -10.850 -11.464 0.504 1.00 21.43 N ATOM 975 NH2 ARG A 57 -9.475 -13.200 1.098 1.00 4.55 N ATOM 0 H ARG A 57 -7.653 -5.190 1.988 1.00 73.41 H new ATOM 0 HA ARG A 57 -5.775 -7.253 2.290 1.00 3.13 H new ATOM 0 HB2 ARG A 57 -8.350 -7.125 1.564 1.00 41.00 H new ATOM 0 HB3 ARG A 57 -7.670 -7.133 -0.051 1.00 41.00 H new ATOM 0 HG2 ARG A 57 -6.575 -9.268 0.347 1.00 54.31 H new ATOM 0 HG3 ARG A 57 -7.018 -9.236 2.042 1.00 54.31 H new ATOM 0 HD2 ARG A 57 -9.457 -9.190 1.314 1.00 33.13 H new ATOM 0 HD3 ARG A 57 -8.908 -9.448 -0.330 1.00 33.13 H new ATOM 0 HE ARG A 57 -7.702 -11.471 1.232 1.00 45.05 H new ATOM 0 HH11 ARG A 57 -10.993 -10.472 0.313 1.00 21.43 H new ATOM 0 HH12 ARG A 57 -11.631 -12.116 0.428 1.00 21.43 H new ATOM 0 HH21 ARG A 57 -8.556 -13.552 1.366 1.00 4.55 H new ATOM 0 HH22 ARG A 57 -10.264 -13.842 1.019 1.00 4.55 H new ATOM 989 N GLY A 58 -5.465 -5.532 -0.512 1.00 75.12 N ATOM 990 CA GLY A 58 -4.554 -5.246 -1.621 1.00 3.21 C ATOM 991 C GLY A 58 -3.167 -4.792 -1.163 1.00 15.14 C ATOM 992 O GLY A 58 -2.204 -4.875 -1.931 1.00 21.04 O ATOM 0 H GLY A 58 -6.286 -4.928 -0.477 1.00 75.12 H new ATOM 0 HA2 GLY A 58 -4.451 -6.139 -2.237 1.00 3.21 H new ATOM 0 HA3 GLY A 58 -4.992 -4.472 -2.252 1.00 3.21 H new ATOM 996 N TRP A 59 -3.073 -4.313 0.093 1.00 34.52 N ATOM 997 CA TRP A 59 -1.798 -3.870 0.670 1.00 11.53 C ATOM 998 C TRP A 59 -1.017 -5.048 1.244 1.00 15.11 C ATOM 999 O TRP A 59 0.185 -5.159 1.020 1.00 30.32 O ATOM 1000 CB TRP A 59 -2.013 -2.821 1.773 1.00 30.13 C ATOM 1001 CG TRP A 59 -2.009 -1.383 1.296 1.00 24.41 C ATOM 1002 CD1 TRP A 59 -2.301 -0.916 0.039 1.00 50.03 C ATOM 1003 CD2 TRP A 59 -1.693 -0.221 2.082 1.00 23.30 C ATOM 1004 NE1 TRP A 59 -2.190 0.451 0.002 1.00 12.30 N ATOM 1005 CE2 TRP A 59 -1.818 0.902 1.240 1.00 64.24 C ATOM 1006 CE3 TRP A 59 -1.318 -0.018 3.417 1.00 10.45 C ATOM 1007 CZ2 TRP A 59 -1.584 2.199 1.688 1.00 44.24 C ATOM 1008 CZ3 TRP A 59 -1.086 1.270 3.857 1.00 4.50 C ATOM 1009 CH2 TRP A 59 -1.220 2.364 2.996 1.00 20.34 C ATOM 0 H TRP A 59 -3.869 -4.225 0.725 1.00 34.52 H new ATOM 0 HA TRP A 59 -1.225 -3.418 -0.139 1.00 11.53 H new ATOM 0 HB2 TRP A 59 -2.964 -3.022 2.265 1.00 30.13 H new ATOM 0 HB3 TRP A 59 -1.233 -2.941 2.525 1.00 30.13 H new ATOM 0 HD1 TRP A 59 -2.578 -1.536 -0.801 1.00 50.03 H new ATOM 0 HE1 TRP A 59 -2.358 1.037 -0.816 1.00 12.30 H new ATOM 0 HE3 TRP A 59 -1.212 -0.855 4.091 1.00 10.45 H new ATOM 0 HZ2 TRP A 59 -1.686 3.046 1.026 1.00 44.24 H new ATOM 0 HZ3 TRP A 59 -0.796 1.436 4.884 1.00 4.50 H new ATOM 0 HH2 TRP A 59 -1.032 3.359 3.372 1.00 20.34 H new ATOM 1020 N GLU A 60 -1.718 -5.934 1.973 1.00 64.02 N ATOM 1021 CA GLU A 60 -1.091 -7.114 2.595 1.00 11.50 C ATOM 1022 C GLU A 60 -0.593 -8.111 1.544 1.00 31.21 C ATOM 1023 O GLU A 60 0.461 -8.730 1.718 1.00 2.33 O ATOM 1024 CB GLU A 60 -2.071 -7.822 3.549 1.00 15.25 C ATOM 1025 CG GLU A 60 -2.603 -6.935 4.663 1.00 64.33 C ATOM 1026 CD GLU A 60 -3.280 -7.726 5.765 1.00 71.32 C ATOM 1027 OE1 GLU A 60 -2.660 -7.903 6.834 1.00 12.21 O ATOM 1028 OE2 GLU A 60 -4.430 -8.167 5.559 1.00 23.02 O ATOM 0 H GLU A 60 -2.720 -5.855 2.146 1.00 64.02 H new ATOM 0 HA GLU A 60 -0.234 -6.753 3.164 1.00 11.50 H new ATOM 0 HB2 GLU A 60 -2.912 -8.204 2.971 1.00 15.25 H new ATOM 0 HB3 GLU A 60 -1.571 -8.683 3.992 1.00 15.25 H new ATOM 0 HG2 GLU A 60 -1.781 -6.358 5.087 1.00 64.33 H new ATOM 0 HG3 GLU A 60 -3.312 -6.220 4.246 1.00 64.33 H new ATOM 1035 N GLU A 61 -1.364 -8.254 0.458 1.00 13.22 N ATOM 1036 CA GLU A 61 -1.019 -9.164 -0.641 1.00 4.04 C ATOM 1037 C GLU A 61 -0.061 -8.509 -1.643 1.00 23.14 C ATOM 1038 O GLU A 61 0.691 -9.206 -2.326 1.00 64.00 O ATOM 1039 CB GLU A 61 -2.285 -9.631 -1.367 1.00 12.20 C ATOM 1040 CG GLU A 61 -3.127 -10.616 -0.567 1.00 33.24 C ATOM 1041 CD GLU A 61 -4.369 -11.061 -1.313 1.00 73.22 C ATOM 1042 OE1 GLU A 61 -5.435 -10.441 -1.115 1.00 24.44 O ATOM 1043 OE2 GLU A 61 -4.277 -12.030 -2.095 1.00 21.23 O ATOM 0 H GLU A 61 -2.237 -7.746 0.317 1.00 13.22 H new ATOM 0 HA GLU A 61 -0.513 -10.024 -0.202 1.00 4.04 H new ATOM 0 HB2 GLU A 61 -2.895 -8.761 -1.610 1.00 12.20 H new ATOM 0 HB3 GLU A 61 -2.000 -10.095 -2.311 1.00 12.20 H new ATOM 0 HG2 GLU A 61 -2.523 -11.489 -0.321 1.00 33.24 H new ATOM 0 HG3 GLU A 61 -3.420 -10.155 0.377 1.00 33.24 H new ATOM 1050 N GLY A 62 -0.093 -7.167 -1.713 1.00 2.32 N ATOM 1051 CA GLY A 62 0.759 -6.425 -2.639 1.00 34.53 C ATOM 1052 C GLY A 62 2.124 -6.065 -2.066 1.00 41.44 C ATOM 1053 O GLY A 62 3.143 -6.252 -2.736 1.00 71.54 O ATOM 0 H GLY A 62 -0.700 -6.582 -1.139 1.00 2.32 H new ATOM 0 HA2 GLY A 62 0.900 -7.018 -3.543 1.00 34.53 H new ATOM 0 HA3 GLY A 62 0.247 -5.509 -2.935 1.00 34.53 H new ATOM 1057 N VAL A 63 2.142 -5.550 -0.824 1.00 13.21 N ATOM 1058 CA VAL A 63 3.391 -5.147 -0.144 1.00 21.10 C ATOM 1059 C VAL A 63 4.322 -6.353 0.099 1.00 62.21 C ATOM 1060 O VAL A 63 5.542 -6.199 0.201 1.00 10.30 O ATOM 1061 CB VAL A 63 3.078 -4.404 1.197 1.00 1.44 C ATOM 1062 CG1 VAL A 63 2.806 -5.365 2.360 1.00 73.30 C ATOM 1063 CG2 VAL A 63 4.198 -3.434 1.551 1.00 1.13 C ATOM 0 H VAL A 63 1.301 -5.401 -0.266 1.00 13.21 H new ATOM 0 HA VAL A 63 3.917 -4.457 -0.804 1.00 21.10 H new ATOM 0 HB VAL A 63 2.159 -3.840 1.035 1.00 1.44 H new ATOM 0 HG11 VAL A 63 2.595 -4.793 3.263 1.00 73.30 H new ATOM 0 HG12 VAL A 63 1.948 -5.993 2.120 1.00 73.30 H new ATOM 0 HG13 VAL A 63 3.681 -5.994 2.525 1.00 73.30 H new ATOM 0 HG21 VAL A 63 3.959 -2.929 2.487 1.00 1.13 H new ATOM 0 HG22 VAL A 63 5.133 -3.983 1.663 1.00 1.13 H new ATOM 0 HG23 VAL A 63 4.304 -2.695 0.757 1.00 1.13 H new ATOM 1073 N ALA A 64 3.712 -7.540 0.186 1.00 31.45 N ATOM 1074 CA ALA A 64 4.434 -8.797 0.407 1.00 31.03 C ATOM 1075 C ALA A 64 5.150 -9.272 -0.864 1.00 33.41 C ATOM 1076 O ALA A 64 5.920 -10.239 -0.831 1.00 20.51 O ATOM 1077 CB ALA A 64 3.463 -9.862 0.896 1.00 31.20 C ATOM 0 H ALA A 64 2.702 -7.656 0.105 1.00 31.45 H new ATOM 0 HA ALA A 64 5.198 -8.622 1.164 1.00 31.03 H new ATOM 0 HB1 ALA A 64 4.000 -10.796 1.060 1.00 31.20 H new ATOM 0 HB2 ALA A 64 3.007 -9.537 1.831 1.00 31.20 H new ATOM 0 HB3 ALA A 64 2.686 -10.017 0.148 1.00 31.20 H new ATOM 1083 N GLN A 65 4.889 -8.574 -1.975 1.00 10.14 N ATOM 1084 CA GLN A 65 5.488 -8.896 -3.273 1.00 4.44 C ATOM 1085 C GLN A 65 6.759 -8.070 -3.522 1.00 1.34 C ATOM 1086 O GLN A 65 7.455 -8.280 -4.521 1.00 54.10 O ATOM 1087 CB GLN A 65 4.471 -8.646 -4.398 1.00 23.01 C ATOM 1088 CG GLN A 65 3.108 -9.296 -4.158 1.00 41.22 C ATOM 1089 CD GLN A 65 2.153 -9.170 -5.335 1.00 21.44 C ATOM 1090 OE1 GLN A 65 2.550 -9.274 -6.498 1.00 10.20 O ATOM 1091 NE2 GLN A 65 0.879 -8.933 -5.034 1.00 4.02 N ATOM 0 H GLN A 65 4.258 -7.773 -1.999 1.00 10.14 H new ATOM 0 HA GLN A 65 5.766 -9.950 -3.264 1.00 4.44 H new ATOM 0 HB2 GLN A 65 4.334 -7.571 -4.518 1.00 23.01 H new ATOM 0 HB3 GLN A 65 4.881 -9.022 -5.335 1.00 23.01 H new ATOM 0 HG2 GLN A 65 3.254 -10.352 -3.932 1.00 41.22 H new ATOM 0 HG3 GLN A 65 2.649 -8.843 -3.279 1.00 41.22 H new ATOM 0 HE21 GLN A 65 0.592 -8.854 -4.059 1.00 4.02 H new ATOM 0 HE22 GLN A 65 0.190 -8.830 -5.779 1.00 4.02 H new ATOM 1100 N MET A 66 7.058 -7.141 -2.601 1.00 51.30 N ATOM 1101 CA MET A 66 8.235 -6.274 -2.713 1.00 45.42 C ATOM 1102 C MET A 66 9.267 -6.624 -1.639 1.00 14.24 C ATOM 1103 O MET A 66 8.925 -7.211 -0.608 1.00 42.21 O ATOM 1104 CB MET A 66 7.858 -4.781 -2.595 1.00 54.20 C ATOM 1105 CG MET A 66 6.361 -4.473 -2.561 1.00 71.10 C ATOM 1106 SD MET A 66 5.978 -2.770 -3.043 1.00 71.25 S ATOM 1107 CE MET A 66 7.031 -1.827 -1.937 1.00 23.31 C ATOM 0 H MET A 66 6.496 -6.973 -1.767 1.00 51.30 H new ATOM 0 HA MET A 66 8.665 -6.443 -3.700 1.00 45.42 H new ATOM 0 HB2 MET A 66 8.312 -4.382 -1.688 1.00 54.20 H new ATOM 0 HB3 MET A 66 8.301 -4.247 -3.436 1.00 54.20 H new ATOM 0 HG2 MET A 66 5.839 -5.160 -3.228 1.00 71.10 H new ATOM 0 HG3 MET A 66 5.981 -4.654 -1.556 1.00 71.10 H new ATOM 0 HE1 MET A 66 6.844 -0.762 -2.076 1.00 23.31 H new ATOM 0 HE2 MET A 66 6.814 -2.102 -0.905 1.00 23.31 H new ATOM 0 HE3 MET A 66 8.076 -2.043 -2.158 1.00 23.31 H new ATOM 1117 N SER A 67 10.528 -6.250 -1.890 1.00 4.44 N ATOM 1118 CA SER A 67 11.625 -6.507 -0.954 1.00 50.24 C ATOM 1119 C SER A 67 12.217 -5.200 -0.443 1.00 5.23 C ATOM 1120 O SER A 67 12.167 -4.185 -1.134 1.00 51.25 O ATOM 1121 CB SER A 67 12.716 -7.340 -1.626 1.00 21.11 C ATOM 1122 OG SER A 67 13.016 -6.841 -2.919 1.00 40.45 O ATOM 0 H SER A 67 10.813 -5.765 -2.741 1.00 4.44 H new ATOM 0 HA SER A 67 11.222 -7.063 -0.108 1.00 50.24 H new ATOM 0 HB2 SER A 67 13.616 -7.330 -1.011 1.00 21.11 H new ATOM 0 HB3 SER A 67 12.392 -8.378 -1.700 1.00 21.11 H new ATOM 0 HG SER A 67 12.441 -7.279 -3.580 1.00 40.45 H new ATOM 1128 N VAL A 68 12.754 -5.235 0.789 1.00 33.02 N ATOM 1129 CA VAL A 68 13.374 -4.063 1.445 1.00 53.10 C ATOM 1130 C VAL A 68 14.213 -3.219 0.464 1.00 12.43 C ATOM 1131 O VAL A 68 15.179 -3.711 -0.127 1.00 21.20 O ATOM 1132 CB VAL A 68 14.261 -4.504 2.654 1.00 34.11 C ATOM 1133 CG1 VAL A 68 15.097 -3.351 3.205 1.00 30.52 C ATOM 1134 CG2 VAL A 68 13.405 -5.100 3.767 1.00 13.21 C ATOM 0 H VAL A 68 12.772 -6.078 1.362 1.00 33.02 H new ATOM 0 HA VAL A 68 12.556 -3.440 1.807 1.00 53.10 H new ATOM 0 HB VAL A 68 14.946 -5.266 2.281 1.00 34.11 H new ATOM 0 HG11 VAL A 68 15.697 -3.705 4.044 1.00 30.52 H new ATOM 0 HG12 VAL A 68 15.755 -2.972 2.423 1.00 30.52 H new ATOM 0 HG13 VAL A 68 14.437 -2.552 3.543 1.00 30.52 H new ATOM 0 HG21 VAL A 68 14.045 -5.399 4.597 1.00 13.21 H new ATOM 0 HG22 VAL A 68 12.687 -4.356 4.112 1.00 13.21 H new ATOM 0 HG23 VAL A 68 12.871 -5.971 3.388 1.00 13.21 H new ATOM 1144 N GLY A 69 13.811 -1.953 0.311 1.00 54.02 N ATOM 1145 CA GLY A 69 14.499 -1.033 -0.585 1.00 71.34 C ATOM 1146 C GLY A 69 13.863 -0.956 -1.967 1.00 5.22 C ATOM 1147 O GLY A 69 14.382 -0.264 -2.848 1.00 23.21 O ATOM 0 H GLY A 69 13.012 -1.547 0.798 1.00 54.02 H new ATOM 0 HA2 GLY A 69 14.506 -0.038 -0.139 1.00 71.34 H new ATOM 0 HA3 GLY A 69 15.539 -1.344 -0.687 1.00 71.34 H new ATOM 1151 N GLN A 70 12.739 -1.666 -2.154 1.00 55.02 N ATOM 1152 CA GLN A 70 12.034 -1.686 -3.436 1.00 4.10 C ATOM 1153 C GLN A 70 10.897 -0.669 -3.461 1.00 65.14 C ATOM 1154 O GLN A 70 10.243 -0.424 -2.443 1.00 64.15 O ATOM 1155 CB GLN A 70 11.475 -3.087 -3.724 1.00 54.10 C ATOM 1156 CG GLN A 70 11.257 -3.373 -5.206 1.00 53.24 C ATOM 1157 CD GLN A 70 10.517 -4.672 -5.458 1.00 75.44 C ATOM 1158 OE1 GLN A 70 9.210 -4.575 -5.673 1.00 62.23 O flip ATOM 1159 NE2 GLN A 70 11.116 -5.747 -5.481 1.00 4.25 N flip ATOM 0 H GLN A 70 12.302 -2.234 -1.428 1.00 55.02 H new ATOM 0 HA GLN A 70 12.755 -1.419 -4.209 1.00 4.10 H new ATOM 0 HB2 GLN A 70 12.160 -3.831 -3.317 1.00 54.10 H new ATOM 0 HB3 GLN A 70 10.527 -3.205 -3.198 1.00 54.10 H new ATOM 0 HG2 GLN A 70 10.697 -2.550 -5.650 1.00 53.24 H new ATOM 0 HG3 GLN A 70 12.223 -3.409 -5.709 1.00 53.24 H new ATOM 0 HE21 GLN A 70 12.121 -5.774 -5.310 1.00 4.25 H new ATOM 0 HE22 GLN A 70 10.607 -6.610 -5.671 1.00 4.25 H new ATOM 1168 N ARG A 71 10.684 -0.091 -4.641 1.00 33.42 N ATOM 1169 CA ARG A 71 9.619 0.884 -4.858 1.00 34.40 C ATOM 1170 C ARG A 71 8.720 0.407 -6.003 1.00 60.34 C ATOM 1171 O ARG A 71 9.127 0.412 -7.171 1.00 3.51 O ATOM 1172 CB ARG A 71 10.216 2.269 -5.161 1.00 73.14 C ATOM 1173 CG ARG A 71 9.270 3.435 -4.885 1.00 14.30 C ATOM 1174 CD ARG A 71 9.021 4.252 -6.142 1.00 71.52 C ATOM 1175 NE ARG A 71 8.028 5.310 -5.924 1.00 3.22 N ATOM 1176 CZ ARG A 71 7.961 6.450 -6.626 1.00 32.00 C ATOM 1177 NH1 ARG A 71 8.825 6.708 -7.606 1.00 54.01 N ATOM 1178 NH2 ARG A 71 7.018 7.339 -6.342 1.00 42.24 N ATOM 0 H ARG A 71 11.244 -0.285 -5.471 1.00 33.42 H new ATOM 0 HA ARG A 71 9.016 0.973 -3.954 1.00 34.40 H new ATOM 0 HB2 ARG A 71 11.119 2.401 -4.565 1.00 73.14 H new ATOM 0 HB3 ARG A 71 10.517 2.301 -6.208 1.00 73.14 H new ATOM 0 HG2 ARG A 71 8.323 3.055 -4.502 1.00 14.30 H new ATOM 0 HG3 ARG A 71 9.694 4.075 -4.111 1.00 14.30 H new ATOM 0 HD2 ARG A 71 9.958 4.698 -6.476 1.00 71.52 H new ATOM 0 HD3 ARG A 71 8.679 3.593 -6.940 1.00 71.52 H new ATOM 0 HE ARG A 71 7.339 5.168 -5.185 1.00 3.22 H new ATOM 0 HH11 ARG A 71 9.554 6.032 -7.834 1.00 54.01 H new ATOM 0 HH12 ARG A 71 8.757 7.581 -8.129 1.00 54.01 H new ATOM 0 HH21 ARG A 71 6.350 7.153 -5.594 1.00 42.24 H new ATOM 0 HH22 ARG A 71 6.961 8.209 -6.872 1.00 42.24 H new ATOM 1192 N ALA A 72 7.501 -0.017 -5.652 1.00 5.10 N ATOM 1193 CA ALA A 72 6.539 -0.518 -6.635 1.00 53.23 C ATOM 1194 C ALA A 72 5.158 0.115 -6.455 1.00 61.04 C ATOM 1195 O ALA A 72 4.824 0.593 -5.366 1.00 32.53 O ATOM 1196 CB ALA A 72 6.444 -2.037 -6.541 1.00 53.11 C ATOM 0 H ALA A 72 7.158 -0.022 -4.691 1.00 5.10 H new ATOM 0 HA ALA A 72 6.897 -0.238 -7.626 1.00 53.23 H new ATOM 0 HB1 ALA A 72 5.726 -2.403 -7.275 1.00 53.11 H new ATOM 0 HB2 ALA A 72 7.422 -2.476 -6.740 1.00 53.11 H new ATOM 0 HB3 ALA A 72 6.116 -2.320 -5.541 1.00 53.11 H new HETATM 1202 N MLY A 73 4.362 0.112 -7.536 1.00 72.40 N HETATM 1203 CA MLY A 73 3.012 0.675 -7.517 1.00 10.44 C HETATM 1204 CB MLY A 73 2.797 1.563 -8.747 1.00 42.22 C HETATM 1205 CG MLY A 73 1.959 2.805 -8.473 1.00 32.23 C HETATM 1206 CD MLY A 73 1.788 3.654 -9.728 1.00 43.41 C HETATM 1207 CE MLY A 73 2.737 4.847 -9.733 1.00 12.10 C HETATM 1208 NZ MLY A 73 2.614 5.581 -11.004 1.00 24.53 N HETATM 1209 CH1 MLY A 73 3.914 5.595 -11.693 1.00 62.33 C HETATM 1210 CH2 MLY A 73 2.189 6.964 -10.737 1.00 20.10 C HETATM 1211 C MLY A 73 1.971 -0.441 -7.481 1.00 30.22 C HETATM 1212 O MLY A 73 1.966 -1.321 -8.347 1.00 52.40 O HETATM 0 HH23 MLY A 73 1.225 6.957 -10.229 1.00 20.10 H new HETATM 0 HH22 MLY A 73 2.928 7.456 -10.105 1.00 20.10 H new HETATM 0 HH21 MLY A 73 2.099 7.505 -11.679 1.00 20.10 H new HETATM 0 HH13 MLY A 73 4.655 6.085 -11.062 1.00 62.33 H new HETATM 0 HH12 MLY A 73 4.230 4.571 -11.895 1.00 62.33 H new HETATM 0 HH11 MLY A 73 3.822 6.138 -12.633 1.00 62.33 H new HETATM 0 HG3 MLY A 73 0.980 2.508 -8.097 1.00 32.23 H new HETATM 0 HG2 MLY A 73 2.433 3.400 -7.692 1.00 32.23 H new HETATM 0 HE3 MLY A 73 2.508 5.508 -8.898 1.00 12.10 H new HETATM 0 HE2 MLY A 73 3.764 4.507 -9.598 1.00 12.10 H new HETATM 0 HD3 MLY A 73 1.970 3.040 -10.610 1.00 43.41 H new HETATM 0 HD2 MLY A 73 0.759 4.007 -9.792 1.00 43.41 H new HETATM 0 HB3 MLY A 73 3.768 1.870 -9.135 1.00 42.22 H new HETATM 0 HB2 MLY A 73 2.313 0.975 -9.527 1.00 42.22 H new HETATM 0 HA MLY A 73 2.898 1.283 -6.619 1.00 10.44 H new HETATM 0 H MLY A 73 4.998 0.337 -8.301 1.00 72.40 H new ATOM 1229 N LEU A 74 1.095 -0.396 -6.473 1.00 74.52 N ATOM 1230 CA LEU A 74 0.048 -1.410 -6.308 1.00 74.33 C ATOM 1231 C LEU A 74 -1.312 -0.858 -6.723 1.00 30.42 C ATOM 1232 O LEU A 74 -1.720 0.217 -6.273 1.00 24.14 O ATOM 1233 CB LEU A 74 -0.033 -1.912 -4.850 1.00 54.31 C ATOM 1234 CG LEU A 74 1.222 -1.717 -3.991 1.00 51.21 C ATOM 1235 CD1 LEU A 74 1.125 -0.411 -3.219 1.00 53.33 C ATOM 1236 CD2 LEU A 74 1.416 -2.895 -3.042 1.00 45.42 C ATOM 0 H LEU A 74 1.090 0.332 -5.758 1.00 74.52 H new ATOM 0 HA LEU A 74 0.313 -2.248 -6.952 1.00 74.33 H new ATOM 0 HB2 LEU A 74 -0.864 -1.405 -4.360 1.00 54.31 H new ATOM 0 HB3 LEU A 74 -0.273 -2.975 -4.868 1.00 54.31 H new ATOM 0 HG LEU A 74 2.091 -1.670 -4.647 1.00 51.21 H new ATOM 0 HD11 LEU A 74 2.020 -0.280 -2.611 1.00 53.33 H new ATOM 0 HD12 LEU A 74 1.037 0.420 -3.919 1.00 53.33 H new ATOM 0 HD13 LEU A 74 0.248 -0.435 -2.572 1.00 53.33 H new ATOM 0 HD21 LEU A 74 2.312 -2.735 -2.442 1.00 45.42 H new ATOM 0 HD22 LEU A 74 0.550 -2.980 -2.385 1.00 45.42 H new ATOM 0 HD23 LEU A 74 1.524 -3.813 -3.619 1.00 45.42 H new ATOM 1248 N THR A 75 -2.001 -1.607 -7.587 1.00 22.43 N ATOM 1249 CA THR A 75 -3.329 -1.237 -8.072 1.00 34.30 C ATOM 1250 C THR A 75 -4.394 -1.951 -7.237 1.00 11.12 C ATOM 1251 O THR A 75 -4.504 -3.181 -7.275 1.00 0.33 O ATOM 1252 CB THR A 75 -3.503 -1.596 -9.572 1.00 53.12 C ATOM 1253 OG1 THR A 75 -2.330 -1.220 -10.306 1.00 4.44 O ATOM 1254 CG2 THR A 75 -4.716 -0.897 -10.182 1.00 22.41 C ATOM 0 H THR A 75 -1.653 -2.486 -7.969 1.00 22.43 H new ATOM 0 HA THR A 75 -3.443 -0.158 -7.971 1.00 34.30 H new ATOM 0 HB THR A 75 -3.657 -2.673 -9.634 1.00 53.12 H new ATOM 0 HG1 THR A 75 -1.595 -1.829 -10.083 1.00 4.44 H new ATOM 0 HG21 THR A 75 -4.805 -1.173 -11.233 1.00 22.41 H new ATOM 0 HG22 THR A 75 -5.617 -1.201 -9.650 1.00 22.41 H new ATOM 0 HG23 THR A 75 -4.593 0.183 -10.100 1.00 22.41 H new ATOM 1262 N ILE A 76 -5.164 -1.167 -6.484 1.00 31.12 N ATOM 1263 CA ILE A 76 -6.212 -1.710 -5.626 1.00 1.42 C ATOM 1264 C ILE A 76 -7.584 -1.452 -6.237 1.00 60.35 C ATOM 1265 O ILE A 76 -7.832 -0.393 -6.817 1.00 13.12 O ATOM 1266 CB ILE A 76 -6.154 -1.116 -4.178 1.00 70.02 C ATOM 1267 CG1 ILE A 76 -4.688 -0.998 -3.660 1.00 70.21 C ATOM 1268 CG2 ILE A 76 -7.020 -1.930 -3.205 1.00 75.11 C ATOM 1269 CD1 ILE A 76 -3.923 -2.310 -3.490 1.00 11.52 C ATOM 0 H ILE A 76 -5.080 -0.151 -6.452 1.00 31.12 H new ATOM 0 HA ILE A 76 -6.043 -2.784 -5.551 1.00 1.42 H new ATOM 0 HB ILE A 76 -6.565 -0.108 -4.228 1.00 70.02 H new ATOM 0 HG12 ILE A 76 -4.131 -0.364 -4.350 1.00 70.21 H new ATOM 0 HG13 ILE A 76 -4.705 -0.485 -2.699 1.00 70.21 H new ATOM 0 HG21 ILE A 76 -6.958 -1.492 -2.209 1.00 75.11 H new ATOM 0 HG22 ILE A 76 -8.056 -1.918 -3.543 1.00 75.11 H new ATOM 0 HG23 ILE A 76 -6.661 -2.959 -3.172 1.00 75.11 H new ATOM 0 HD11 ILE A 76 -2.917 -2.100 -3.125 1.00 11.52 H new ATOM 0 HD12 ILE A 76 -4.444 -2.945 -2.773 1.00 11.52 H new ATOM 0 HD13 ILE A 76 -3.861 -2.822 -4.450 1.00 11.52 H new ATOM 1281 N SER A 77 -8.456 -2.445 -6.096 1.00 11.11 N ATOM 1282 CA SER A 77 -9.821 -2.375 -6.610 1.00 42.11 C ATOM 1283 C SER A 77 -10.817 -2.130 -5.468 1.00 43.15 C ATOM 1284 O SER A 77 -10.475 -2.351 -4.304 1.00 74.23 O ATOM 1285 CB SER A 77 -10.176 -3.671 -7.361 1.00 53.42 C ATOM 1286 OG SER A 77 -9.423 -4.776 -6.891 1.00 32.12 O ATOM 0 H SER A 77 -8.237 -3.321 -5.622 1.00 11.11 H new ATOM 0 HA SER A 77 -9.884 -1.539 -7.306 1.00 42.11 H new ATOM 0 HB2 SER A 77 -11.239 -3.880 -7.243 1.00 53.42 H new ATOM 0 HB3 SER A 77 -9.994 -3.535 -8.427 1.00 53.42 H new ATOM 0 HG SER A 77 -8.556 -4.800 -7.348 1.00 32.12 H new ATOM 1292 N PRO A 78 -12.074 -1.671 -5.773 1.00 14.41 N ATOM 1293 CA PRO A 78 -13.101 -1.411 -4.738 1.00 50.11 C ATOM 1294 C PRO A 78 -13.506 -2.671 -3.957 1.00 62.43 C ATOM 1295 O PRO A 78 -14.136 -2.575 -2.906 1.00 15.12 O ATOM 1296 CB PRO A 78 -14.295 -0.857 -5.532 1.00 32.31 C ATOM 1297 CG PRO A 78 -14.072 -1.294 -6.939 1.00 23.43 C ATOM 1298 CD PRO A 78 -12.588 -1.363 -7.128 1.00 55.53 C ATOM 0 HA PRO A 78 -12.727 -0.727 -3.976 1.00 50.11 H new ATOM 0 HB2 PRO A 78 -15.238 -1.244 -5.145 1.00 32.31 H new ATOM 0 HB3 PRO A 78 -14.344 0.230 -5.461 1.00 32.31 H new ATOM 0 HG2 PRO A 78 -14.533 -2.265 -7.122 1.00 23.43 H new ATOM 0 HG3 PRO A 78 -14.521 -0.591 -7.640 1.00 23.43 H new ATOM 0 HD2 PRO A 78 -12.311 -2.135 -7.846 1.00 55.53 H new ATOM 0 HD3 PRO A 78 -12.188 -0.421 -7.503 1.00 55.53 H new ATOM 1306 N ASP A 79 -13.132 -3.845 -4.488 1.00 12.13 N ATOM 1307 CA ASP A 79 -13.427 -5.133 -3.852 1.00 63.51 C ATOM 1308 C ASP A 79 -12.335 -5.503 -2.840 1.00 41.14 C ATOM 1309 O ASP A 79 -12.603 -6.192 -1.852 1.00 2.04 O ATOM 1310 CB ASP A 79 -13.542 -6.226 -4.916 1.00 74.51 C ATOM 1311 CG ASP A 79 -14.523 -7.318 -4.530 1.00 73.03 C ATOM 1312 OD1 ASP A 79 -14.092 -8.307 -3.900 1.00 41.30 O ATOM 1313 OD2 ASP A 79 -15.721 -7.184 -4.857 1.00 45.33 O ATOM 0 H ASP A 79 -12.619 -3.926 -5.366 1.00 12.13 H new ATOM 0 HA ASP A 79 -14.375 -5.045 -3.321 1.00 63.51 H new ATOM 0 HB2 ASP A 79 -13.856 -5.778 -5.859 1.00 74.51 H new ATOM 0 HB3 ASP A 79 -12.560 -6.668 -5.084 1.00 74.51 H new ATOM 1318 N TYR A 80 -11.111 -5.034 -3.108 1.00 23.22 N ATOM 1319 CA TYR A 80 -9.958 -5.294 -2.234 1.00 53.15 C ATOM 1320 C TYR A 80 -9.679 -4.112 -1.305 1.00 65.53 C ATOM 1321 O TYR A 80 -8.993 -4.267 -0.290 1.00 12.33 O ATOM 1322 CB TYR A 80 -8.702 -5.591 -3.067 1.00 14.24 C ATOM 1323 CG TYR A 80 -8.486 -7.063 -3.371 1.00 54.54 C ATOM 1324 CD1 TYR A 80 -7.360 -7.728 -2.896 1.00 24.12 C ATOM 1325 CD2 TYR A 80 -9.404 -7.789 -4.127 1.00 35.12 C ATOM 1326 CE1 TYR A 80 -7.157 -9.067 -3.164 1.00 2.42 C ATOM 1327 CE2 TYR A 80 -9.205 -9.128 -4.397 1.00 30.14 C ATOM 1328 CZ TYR A 80 -8.081 -9.763 -3.914 1.00 23.34 C ATOM 1329 OH TYR A 80 -7.880 -11.097 -4.183 1.00 73.03 O ATOM 0 H TYR A 80 -10.891 -4.469 -3.928 1.00 23.22 H new ATOM 0 HA TYR A 80 -10.206 -6.164 -1.626 1.00 53.15 H new ATOM 0 HB2 TYR A 80 -8.766 -5.044 -4.007 1.00 14.24 H new ATOM 0 HB3 TYR A 80 -7.830 -5.210 -2.536 1.00 14.24 H new ATOM 0 HD1 TYR A 80 -6.633 -7.188 -2.308 1.00 24.12 H new ATOM 0 HD2 TYR A 80 -10.286 -7.296 -4.508 1.00 35.12 H new ATOM 0 HE1 TYR A 80 -6.277 -9.568 -2.787 1.00 2.42 H new ATOM 0 HE2 TYR A 80 -9.927 -9.676 -4.984 1.00 30.14 H new ATOM 0 HH TYR A 80 -8.624 -11.438 -4.722 1.00 73.03 H new ATOM 1339 N ALA A 81 -10.216 -2.935 -1.659 1.00 54.11 N ATOM 1340 CA ALA A 81 -10.016 -1.714 -0.877 1.00 1.04 C ATOM 1341 C ALA A 81 -11.010 -1.584 0.288 1.00 31.52 C ATOM 1342 O ALA A 81 -10.600 -1.587 1.450 1.00 11.01 O ATOM 1343 CB ALA A 81 -10.087 -0.499 -1.793 1.00 23.45 C ATOM 0 H ALA A 81 -10.796 -2.807 -2.488 1.00 54.11 H new ATOM 0 HA ALA A 81 -9.025 -1.771 -0.426 1.00 1.04 H new ATOM 0 HB1 ALA A 81 -9.938 0.408 -1.207 1.00 23.45 H new ATOM 0 HB2 ALA A 81 -9.310 -0.571 -2.554 1.00 23.45 H new ATOM 0 HB3 ALA A 81 -11.064 -0.463 -2.274 1.00 23.45 H new ATOM 1349 N TYR A 82 -12.312 -1.475 -0.020 1.00 35.34 N ATOM 1350 CA TYR A 82 -13.338 -1.321 1.020 1.00 21.22 C ATOM 1351 C TYR A 82 -14.533 -2.245 0.774 1.00 64.31 C ATOM 1352 O TYR A 82 -14.949 -2.980 1.674 1.00 12.00 O ATOM 1353 CB TYR A 82 -13.805 0.144 1.096 1.00 60.11 C ATOM 1354 CG TYR A 82 -12.702 1.130 1.440 1.00 23.55 C ATOM 1355 CD1 TYR A 82 -11.871 1.650 0.451 1.00 60.20 C ATOM 1356 CD2 TYR A 82 -12.493 1.539 2.751 1.00 2.31 C ATOM 1357 CE1 TYR A 82 -10.867 2.549 0.761 1.00 51.12 C ATOM 1358 CE2 TYR A 82 -11.492 2.438 3.068 1.00 74.54 C ATOM 1359 CZ TYR A 82 -10.682 2.939 2.070 1.00 74.23 C ATOM 1360 OH TYR A 82 -9.685 3.834 2.383 1.00 54.35 O ATOM 0 H TYR A 82 -12.676 -1.491 -0.973 1.00 35.34 H new ATOM 0 HA TYR A 82 -12.890 -1.604 1.972 1.00 21.22 H new ATOM 0 HB2 TYR A 82 -14.243 0.425 0.138 1.00 60.11 H new ATOM 0 HB3 TYR A 82 -14.595 0.224 1.843 1.00 60.11 H new ATOM 0 HD1 TYR A 82 -12.013 1.346 -0.576 1.00 60.20 H new ATOM 0 HD2 TYR A 82 -13.123 1.148 3.536 1.00 2.31 H new ATOM 0 HE1 TYR A 82 -10.231 2.943 -0.018 1.00 51.12 H new ATOM 0 HE2 TYR A 82 -11.345 2.747 4.092 1.00 74.54 H new ATOM 0 HH TYR A 82 -9.690 4.004 3.348 1.00 54.35 H new ATOM 1370 N GLY A 83 -15.074 -2.196 -0.448 1.00 3.43 N ATOM 1371 CA GLY A 83 -16.218 -3.020 -0.812 1.00 10.01 C ATOM 1372 C GLY A 83 -17.096 -2.345 -1.846 1.00 71.34 C ATOM 1373 O GLY A 83 -16.591 -1.660 -2.740 1.00 23.23 O ATOM 0 H GLY A 83 -14.734 -1.593 -1.197 1.00 3.43 H new ATOM 0 HA2 GLY A 83 -15.867 -3.976 -1.202 1.00 10.01 H new ATOM 0 HA3 GLY A 83 -16.807 -3.236 0.079 1.00 10.01 H new ATOM 1377 N ALA A 84 -18.411 -2.539 -1.719 1.00 25.11 N ATOM 1378 CA ALA A 84 -19.379 -1.941 -2.641 1.00 33.53 C ATOM 1379 C ALA A 84 -19.926 -0.614 -2.103 1.00 20.43 C ATOM 1380 O ALA A 84 -20.609 0.120 -2.824 1.00 51.55 O ATOM 1381 CB ALA A 84 -20.515 -2.917 -2.914 1.00 43.40 C ATOM 0 H ALA A 84 -18.831 -3.108 -0.984 1.00 25.11 H new ATOM 0 HA ALA A 84 -18.863 -1.726 -3.577 1.00 33.53 H new ATOM 0 HB1 ALA A 84 -21.229 -2.462 -3.601 1.00 43.40 H new ATOM 0 HB2 ALA A 84 -20.113 -3.827 -3.359 1.00 43.40 H new ATOM 0 HB3 ALA A 84 -21.017 -3.162 -1.978 1.00 43.40 H new ATOM 1387 N THR A 85 -19.613 -0.316 -0.835 1.00 42.23 N ATOM 1388 CA THR A 85 -20.059 0.916 -0.188 1.00 52.23 C ATOM 1389 C THR A 85 -18.929 1.955 -0.175 1.00 53.03 C ATOM 1390 O THR A 85 -19.077 3.043 -0.741 1.00 62.14 O ATOM 1391 CB THR A 85 -20.552 0.643 1.261 1.00 63.55 C ATOM 1392 OG1 THR A 85 -21.293 -0.583 1.307 1.00 4.10 O ATOM 1393 CG2 THR A 85 -21.435 1.776 1.779 1.00 23.54 C ATOM 0 H THR A 85 -19.048 -0.919 -0.237 1.00 42.23 H new ATOM 0 HA THR A 85 -20.896 1.311 -0.763 1.00 52.23 H new ATOM 0 HB THR A 85 -19.669 0.572 1.897 1.00 63.55 H new ATOM 0 HG1 THR A 85 -21.598 -0.747 2.224 1.00 4.10 H new ATOM 0 HG21 THR A 85 -21.760 1.549 2.794 1.00 23.54 H new ATOM 0 HG22 THR A 85 -20.869 2.708 1.779 1.00 23.54 H new ATOM 0 HG23 THR A 85 -22.307 1.881 1.134 1.00 23.54 H new ATOM 1401 N GLY A 86 -17.803 1.607 0.475 1.00 73.04 N ATOM 1402 CA GLY A 86 -16.652 2.506 0.560 1.00 62.01 C ATOM 1403 C GLY A 86 -16.885 3.692 1.487 1.00 41.14 C ATOM 1404 O GLY A 86 -17.849 3.702 2.258 1.00 62.55 O ATOM 0 H GLY A 86 -17.672 0.711 0.945 1.00 73.04 H new ATOM 0 HA2 GLY A 86 -15.786 1.945 0.909 1.00 62.01 H new ATOM 0 HA3 GLY A 86 -16.412 2.874 -0.437 1.00 62.01 H new ATOM 1408 N HIS A 87 -15.994 4.686 1.405 1.00 12.34 N ATOM 1409 CA HIS A 87 -16.098 5.895 2.222 1.00 52.22 C ATOM 1410 C HIS A 87 -16.757 7.022 1.407 1.00 53.50 C ATOM 1411 O HIS A 87 -16.269 7.356 0.324 1.00 4.31 O ATOM 1412 CB HIS A 87 -14.709 6.329 2.714 1.00 33.04 C ATOM 1413 CG HIS A 87 -14.738 7.173 3.957 1.00 43.33 C ATOM 1414 ND1 HIS A 87 -14.330 6.728 5.195 1.00 62.14 N ATOM 1415 CD2 HIS A 87 -15.133 8.461 4.133 1.00 34.33 C ATOM 1416 CE1 HIS A 87 -14.487 7.735 6.065 1.00 71.03 C ATOM 1417 NE2 HIS A 87 -14.971 8.809 5.471 1.00 2.31 N ATOM 0 H HIS A 87 -15.190 4.674 0.777 1.00 12.34 H new ATOM 0 HA HIS A 87 -16.718 5.681 3.092 1.00 52.22 H new ATOM 0 HB2 HIS A 87 -14.108 5.440 2.905 1.00 33.04 H new ATOM 0 HB3 HIS A 87 -14.211 6.886 1.920 1.00 33.04 H new ATOM 0 HD2 HIS A 87 -15.512 9.111 3.358 1.00 34.33 H new ATOM 0 HE1 HIS A 87 -14.248 7.675 7.117 1.00 71.03 H new ATOM 0 HE2 HIS A 87 -15.183 9.708 5.903 1.00 2.31 H new ATOM 1425 N PRO A 88 -17.873 7.638 1.910 1.00 43.33 N ATOM 1426 CA PRO A 88 -18.576 8.712 1.180 1.00 44.10 C ATOM 1427 C PRO A 88 -17.786 10.027 1.109 1.00 24.12 C ATOM 1428 O PRO A 88 -17.392 10.584 2.139 1.00 52.53 O ATOM 1429 CB PRO A 88 -19.877 8.899 1.974 1.00 3.31 C ATOM 1430 CG PRO A 88 -19.576 8.414 3.352 1.00 11.32 C ATOM 1431 CD PRO A 88 -18.533 7.337 3.209 1.00 31.53 C ATOM 0 HA PRO A 88 -18.731 8.441 0.136 1.00 44.10 H new ATOM 0 HB2 PRO A 88 -20.184 9.945 1.984 1.00 3.31 H new ATOM 0 HB3 PRO A 88 -20.694 8.332 1.528 1.00 3.31 H new ATOM 0 HG2 PRO A 88 -19.210 9.228 3.978 1.00 11.32 H new ATOM 0 HG3 PRO A 88 -20.474 8.023 3.830 1.00 11.32 H new ATOM 0 HD2 PRO A 88 -17.820 7.361 4.033 1.00 31.53 H new ATOM 0 HD3 PRO A 88 -18.983 6.344 3.206 1.00 31.53 H new ATOM 1439 N GLY A 89 -17.558 10.498 -0.122 1.00 63.23 N ATOM 1440 CA GLY A 89 -16.832 11.740 -0.337 1.00 34.40 C ATOM 1441 C GLY A 89 -15.438 11.533 -0.903 1.00 12.22 C ATOM 1442 O GLY A 89 -15.048 12.219 -1.853 1.00 23.13 O ATOM 0 H GLY A 89 -17.867 10.035 -0.977 1.00 63.23 H new ATOM 0 HA2 GLY A 89 -17.402 12.372 -1.017 1.00 34.40 H new ATOM 0 HA3 GLY A 89 -16.756 12.276 0.609 1.00 34.40 H new ATOM 1446 N ILE A 90 -14.690 10.589 -0.321 1.00 11.03 N ATOM 1447 CA ILE A 90 -13.318 10.306 -0.760 1.00 12.54 C ATOM 1448 C ILE A 90 -13.258 9.061 -1.658 1.00 61.23 C ATOM 1449 O ILE A 90 -12.698 9.117 -2.758 1.00 42.54 O ATOM 1450 CB ILE A 90 -12.344 10.127 0.445 1.00 64.12 C ATOM 1451 CG1 ILE A 90 -12.610 11.189 1.527 1.00 73.33 C ATOM 1452 CG2 ILE A 90 -10.887 10.214 -0.023 1.00 3.31 C ATOM 1453 CD1 ILE A 90 -12.309 10.718 2.934 1.00 60.20 C ATOM 0 H ILE A 90 -15.011 10.009 0.454 1.00 11.03 H new ATOM 0 HA ILE A 90 -12.997 11.173 -1.337 1.00 12.54 H new ATOM 0 HB ILE A 90 -12.520 9.141 0.874 1.00 64.12 H new ATOM 0 HG12 ILE A 90 -12.007 12.071 1.313 1.00 73.33 H new ATOM 0 HG13 ILE A 90 -13.654 11.496 1.472 1.00 73.33 H new ATOM 0 HG21 ILE A 90 -10.222 10.087 0.831 1.00 3.31 H new ATOM 0 HG22 ILE A 90 -10.692 9.429 -0.754 1.00 3.31 H new ATOM 0 HG23 ILE A 90 -10.709 11.188 -0.479 1.00 3.31 H new ATOM 0 HD11 ILE A 90 -12.521 11.521 3.640 1.00 60.20 H new ATOM 0 HD12 ILE A 90 -12.931 9.854 3.169 1.00 60.20 H new ATOM 0 HD13 ILE A 90 -11.258 10.439 3.007 1.00 60.20 H new ATOM 1465 N ILE A 91 -13.834 7.949 -1.184 1.00 33.14 N ATOM 1466 CA ILE A 91 -13.817 6.688 -1.929 1.00 30.21 C ATOM 1467 C ILE A 91 -15.227 6.338 -2.457 1.00 51.24 C ATOM 1468 O ILE A 91 -16.053 5.804 -1.709 1.00 52.40 O ATOM 1469 CB ILE A 91 -13.260 5.507 -1.059 1.00 70.43 C ATOM 1470 CG1 ILE A 91 -11.972 5.905 -0.279 1.00 74.32 C ATOM 1471 CG2 ILE A 91 -13.009 4.252 -1.908 1.00 53.23 C ATOM 1472 CD1 ILE A 91 -10.805 6.423 -1.121 1.00 2.32 C ATOM 0 H ILE A 91 -14.317 7.899 -0.287 1.00 33.14 H new ATOM 0 HA ILE A 91 -13.148 6.827 -2.778 1.00 30.21 H new ATOM 0 HB ILE A 91 -14.030 5.275 -0.324 1.00 70.43 H new ATOM 0 HG12 ILE A 91 -12.236 6.672 0.449 1.00 74.32 H new ATOM 0 HG13 ILE A 91 -11.630 5.036 0.283 1.00 74.32 H new ATOM 0 HG21 ILE A 91 -12.624 3.454 -1.273 1.00 53.23 H new ATOM 0 HG22 ILE A 91 -13.944 3.931 -2.367 1.00 53.23 H new ATOM 0 HG23 ILE A 91 -12.281 4.479 -2.687 1.00 53.23 H new ATOM 0 HD11 ILE A 91 -9.966 6.668 -0.469 1.00 2.32 H new ATOM 0 HD12 ILE A 91 -10.500 5.655 -1.832 1.00 2.32 H new ATOM 0 HD13 ILE A 91 -11.116 7.316 -1.663 1.00 2.32 H new ATOM 1484 N PRO A 92 -15.528 6.636 -3.758 1.00 65.32 N ATOM 1485 CA PRO A 92 -16.840 6.323 -4.359 1.00 52.13 C ATOM 1486 C PRO A 92 -17.043 4.808 -4.597 1.00 22.44 C ATOM 1487 O PRO A 92 -16.072 4.048 -4.544 1.00 33.23 O ATOM 1488 CB PRO A 92 -16.815 7.088 -5.690 1.00 2.33 C ATOM 1489 CG PRO A 92 -15.376 7.222 -6.036 1.00 52.44 C ATOM 1490 CD PRO A 92 -14.637 7.325 -4.728 1.00 13.45 C ATOM 0 HA PRO A 92 -17.664 6.610 -3.705 1.00 52.13 H new ATOM 0 HB2 PRO A 92 -17.358 6.547 -6.465 1.00 2.33 H new ATOM 0 HB3 PRO A 92 -17.289 8.065 -5.592 1.00 2.33 H new ATOM 0 HG2 PRO A 92 -15.032 6.362 -6.611 1.00 52.44 H new ATOM 0 HG3 PRO A 92 -15.204 8.106 -6.651 1.00 52.44 H new ATOM 0 HD2 PRO A 92 -13.660 6.846 -4.783 1.00 13.45 H new ATOM 0 HD3 PRO A 92 -14.467 8.364 -4.446 1.00 13.45 H new ATOM 1498 N PRO A 93 -18.305 4.347 -4.863 1.00 53.53 N ATOM 1499 CA PRO A 93 -18.595 2.918 -5.097 1.00 52.41 C ATOM 1500 C PRO A 93 -18.139 2.429 -6.478 1.00 70.11 C ATOM 1501 O PRO A 93 -18.244 3.160 -7.467 1.00 21.32 O ATOM 1502 CB PRO A 93 -20.122 2.846 -4.977 1.00 64.31 C ATOM 1503 CG PRO A 93 -20.610 4.201 -5.366 1.00 30.24 C ATOM 1504 CD PRO A 93 -19.537 5.174 -4.948 1.00 73.21 C ATOM 0 HA PRO A 93 -18.062 2.279 -4.393 1.00 52.41 H new ATOM 0 HB2 PRO A 93 -20.532 2.077 -5.631 1.00 64.31 H new ATOM 0 HB3 PRO A 93 -20.426 2.595 -3.961 1.00 64.31 H new ATOM 0 HG2 PRO A 93 -20.788 4.256 -6.440 1.00 30.24 H new ATOM 0 HG3 PRO A 93 -21.555 4.430 -4.874 1.00 30.24 H new ATOM 0 HD2 PRO A 93 -19.426 5.980 -5.674 1.00 73.21 H new ATOM 0 HD3 PRO A 93 -19.772 5.638 -3.990 1.00 73.21 H new ATOM 1512 N HIS A 94 -17.633 1.179 -6.529 1.00 21.21 N ATOM 1513 CA HIS A 94 -17.147 0.539 -7.777 1.00 45.34 C ATOM 1514 C HIS A 94 -16.043 1.378 -8.456 1.00 60.20 C ATOM 1515 O HIS A 94 -16.047 1.577 -9.678 1.00 61.45 O ATOM 1516 CB HIS A 94 -18.315 0.272 -8.756 1.00 53.42 C ATOM 1517 CG HIS A 94 -19.397 -0.600 -8.191 1.00 13.53 C ATOM 1518 ND1 HIS A 94 -19.339 -1.975 -8.161 1.00 25.22 N ATOM 1519 CD2 HIS A 94 -20.581 -0.261 -7.618 1.00 61.31 C ATOM 1520 CE1 HIS A 94 -20.464 -2.421 -7.585 1.00 14.10 C ATOM 1521 NE2 HIS A 94 -21.251 -1.420 -7.237 1.00 70.34 N ATOM 0 H HIS A 94 -17.548 0.581 -5.707 1.00 21.21 H new ATOM 0 HA HIS A 94 -16.708 -0.420 -7.500 1.00 45.34 H new ATOM 0 HB2 HIS A 94 -18.750 1.226 -9.055 1.00 53.42 H new ATOM 0 HB3 HIS A 94 -17.920 -0.195 -9.658 1.00 53.42 H new ATOM 0 HD2 HIS A 94 -20.944 0.747 -7.480 1.00 61.31 H new ATOM 0 HE1 HIS A 94 -20.696 -3.464 -7.426 1.00 14.10 H new ATOM 0 HE2 HIS A 94 -22.162 -1.483 -6.783 1.00 70.34 H new ATOM 1529 N ALA A 95 -15.091 1.852 -7.642 1.00 4.51 N ATOM 1530 CA ALA A 95 -13.988 2.679 -8.129 1.00 71.05 C ATOM 1531 C ALA A 95 -12.633 2.102 -7.740 1.00 4.34 C ATOM 1532 O ALA A 95 -12.409 1.718 -6.589 1.00 71.42 O ATOM 1533 CB ALA A 95 -14.130 4.101 -7.605 1.00 13.05 C ATOM 0 H ALA A 95 -15.066 1.674 -6.638 1.00 4.51 H new ATOM 0 HA ALA A 95 -14.037 2.691 -9.218 1.00 71.05 H new ATOM 0 HB1 ALA A 95 -13.304 4.709 -7.973 1.00 13.05 H new ATOM 0 HB2 ALA A 95 -15.073 4.524 -7.951 1.00 13.05 H new ATOM 0 HB3 ALA A 95 -14.115 4.090 -6.515 1.00 13.05 H new ATOM 1539 N THR A 96 -11.741 2.053 -8.733 1.00 34.22 N ATOM 1540 CA THR A 96 -10.375 1.544 -8.569 1.00 13.14 C ATOM 1541 C THR A 96 -9.451 2.634 -8.007 1.00 22.22 C ATOM 1542 O THR A 96 -9.553 3.804 -8.387 1.00 73.11 O ATOM 1543 CB THR A 96 -9.827 1.027 -9.924 1.00 32.40 C ATOM 1544 OG1 THR A 96 -10.818 0.222 -10.575 1.00 74.25 O ATOM 1545 CG2 THR A 96 -8.553 0.199 -9.753 1.00 64.35 C ATOM 0 H THR A 96 -11.947 2.368 -9.681 1.00 34.22 H new ATOM 0 HA THR A 96 -10.403 0.717 -7.860 1.00 13.14 H new ATOM 0 HB THR A 96 -9.586 1.902 -10.528 1.00 32.40 H new ATOM 0 HG1 THR A 96 -11.227 0.733 -11.305 1.00 74.25 H new ATOM 0 HG21 THR A 96 -8.207 -0.141 -10.729 1.00 64.35 H new ATOM 0 HG22 THR A 96 -7.781 0.811 -9.287 1.00 64.35 H new ATOM 0 HG23 THR A 96 -8.762 -0.664 -9.121 1.00 64.35 H new ATOM 1553 N LEU A 97 -8.556 2.225 -7.102 1.00 71.52 N ATOM 1554 CA LEU A 97 -7.609 3.136 -6.460 1.00 52.44 C ATOM 1555 C LEU A 97 -6.165 2.748 -6.786 1.00 25.12 C ATOM 1556 O LEU A 97 -5.881 1.588 -7.101 1.00 65.13 O ATOM 1557 CB LEU A 97 -7.823 3.123 -4.939 1.00 65.44 C ATOM 1558 CG LEU A 97 -9.254 3.418 -4.465 1.00 4.14 C ATOM 1559 CD1 LEU A 97 -9.555 2.657 -3.185 1.00 14.14 C ATOM 1560 CD2 LEU A 97 -9.466 4.910 -4.259 1.00 45.25 C ATOM 0 H LEU A 97 -8.469 1.256 -6.796 1.00 71.52 H new ATOM 0 HA LEU A 97 -7.787 4.141 -6.844 1.00 52.44 H new ATOM 0 HB2 LEU A 97 -7.528 2.146 -4.557 1.00 65.44 H new ATOM 0 HB3 LEU A 97 -7.153 3.856 -4.490 1.00 65.44 H new ATOM 0 HG LEU A 97 -9.943 3.084 -5.241 1.00 4.14 H new ATOM 0 HD11 LEU A 97 -10.573 2.877 -2.862 1.00 14.14 H new ATOM 0 HD12 LEU A 97 -9.455 1.587 -3.366 1.00 14.14 H new ATOM 0 HD13 LEU A 97 -8.854 2.961 -2.408 1.00 14.14 H new ATOM 0 HD21 LEU A 97 -10.487 5.089 -3.924 1.00 45.25 H new ATOM 0 HD22 LEU A 97 -8.767 5.276 -3.507 1.00 45.25 H new ATOM 0 HD23 LEU A 97 -9.295 5.435 -5.199 1.00 45.25 H new ATOM 1572 N VAL A 98 -5.264 3.733 -6.703 1.00 33.31 N ATOM 1573 CA VAL A 98 -3.837 3.525 -6.980 1.00 60.04 C ATOM 1574 C VAL A 98 -3.007 3.952 -5.764 1.00 55.00 C ATOM 1575 O VAL A 98 -3.177 5.059 -5.249 1.00 63.34 O ATOM 1576 CB VAL A 98 -3.378 4.318 -8.249 1.00 0.44 C ATOM 1577 CG1 VAL A 98 -1.894 4.103 -8.557 1.00 51.44 C ATOM 1578 CG2 VAL A 98 -4.217 3.937 -9.465 1.00 72.32 C ATOM 0 H VAL A 98 -5.500 4.691 -6.444 1.00 33.31 H new ATOM 0 HA VAL A 98 -3.680 2.464 -7.176 1.00 60.04 H new ATOM 0 HB VAL A 98 -3.527 5.375 -8.028 1.00 0.44 H new ATOM 0 HG11 VAL A 98 -1.621 4.672 -9.445 1.00 51.44 H new ATOM 0 HG12 VAL A 98 -1.294 4.440 -7.711 1.00 51.44 H new ATOM 0 HG13 VAL A 98 -1.709 3.043 -8.734 1.00 51.44 H new ATOM 0 HG21 VAL A 98 -3.877 4.502 -10.333 1.00 72.32 H new ATOM 0 HG22 VAL A 98 -4.109 2.870 -9.662 1.00 72.32 H new ATOM 0 HG23 VAL A 98 -5.265 4.166 -9.270 1.00 72.32 H new ATOM 1588 N PHE A 99 -2.119 3.061 -5.319 1.00 53.41 N ATOM 1589 CA PHE A 99 -1.250 3.329 -4.172 1.00 43.43 C ATOM 1590 C PHE A 99 0.199 2.995 -4.507 1.00 54.24 C ATOM 1591 O PHE A 99 0.480 1.939 -5.083 1.00 52.42 O ATOM 1592 CB PHE A 99 -1.688 2.505 -2.957 1.00 34.44 C ATOM 1593 CG PHE A 99 -3.002 2.917 -2.357 1.00 35.13 C ATOM 1594 CD1 PHE A 99 -4.186 2.374 -2.824 1.00 2.50 C ATOM 1595 CD2 PHE A 99 -3.052 3.828 -1.314 1.00 32.20 C ATOM 1596 CE1 PHE A 99 -5.397 2.730 -2.265 1.00 43.45 C ATOM 1597 CE2 PHE A 99 -4.262 4.192 -0.753 1.00 71.30 C ATOM 1598 CZ PHE A 99 -5.436 3.640 -1.229 1.00 42.42 C ATOM 0 H PHE A 99 -1.983 2.142 -5.739 1.00 53.41 H new ATOM 0 HA PHE A 99 -1.330 4.390 -3.935 1.00 43.43 H new ATOM 0 HB2 PHE A 99 -1.751 1.457 -3.250 1.00 34.44 H new ATOM 0 HB3 PHE A 99 -0.916 2.576 -2.190 1.00 34.44 H new ATOM 0 HD1 PHE A 99 -4.162 1.663 -3.636 1.00 2.50 H new ATOM 0 HD2 PHE A 99 -2.136 4.258 -0.936 1.00 32.20 H new ATOM 0 HE1 PHE A 99 -6.313 2.296 -2.638 1.00 43.45 H new ATOM 0 HE2 PHE A 99 -4.290 4.907 0.056 1.00 71.30 H new ATOM 0 HZ PHE A 99 -6.382 3.921 -0.791 1.00 42.42 H new ATOM 1608 N ASP A 100 1.110 3.903 -4.149 1.00 61.54 N ATOM 1609 CA ASP A 100 2.538 3.709 -4.397 1.00 40.34 C ATOM 1610 C ASP A 100 3.302 3.632 -3.069 1.00 51.50 C ATOM 1611 O ASP A 100 3.505 4.651 -2.398 1.00 33.42 O ATOM 1612 CB ASP A 100 3.082 4.845 -5.281 1.00 33.13 C ATOM 1613 CG ASP A 100 4.392 4.490 -5.966 1.00 31.24 C ATOM 1614 OD1 ASP A 100 4.367 4.189 -7.177 1.00 54.54 O ATOM 1615 OD2 ASP A 100 5.441 4.515 -5.288 1.00 62.02 O ATOM 0 H ASP A 100 0.882 4.782 -3.685 1.00 61.54 H new ATOM 0 HA ASP A 100 2.681 2.767 -4.926 1.00 40.34 H new ATOM 0 HB2 ASP A 100 2.339 5.096 -6.038 1.00 33.13 H new ATOM 0 HB3 ASP A 100 3.228 5.736 -4.670 1.00 33.13 H new ATOM 1620 N VAL A 101 3.707 2.412 -2.693 1.00 2.04 N ATOM 1621 CA VAL A 101 4.451 2.197 -1.447 1.00 60.42 C ATOM 1622 C VAL A 101 5.926 1.916 -1.728 1.00 12.12 C ATOM 1623 O VAL A 101 6.281 1.415 -2.800 1.00 50.32 O ATOM 1624 CB VAL A 101 3.852 1.054 -0.562 1.00 11.15 C ATOM 1625 CG1 VAL A 101 2.397 1.339 -0.204 1.00 31.41 C ATOM 1626 CG2 VAL A 101 3.970 -0.323 -1.219 1.00 41.23 C ATOM 0 H VAL A 101 3.533 1.563 -3.231 1.00 2.04 H new ATOM 0 HA VAL A 101 4.360 3.125 -0.882 1.00 60.42 H new ATOM 0 HB VAL A 101 4.446 1.033 0.352 1.00 11.15 H new ATOM 0 HG11 VAL A 101 2.008 0.528 0.411 1.00 31.41 H new ATOM 0 HG12 VAL A 101 2.335 2.276 0.350 1.00 31.41 H new ATOM 0 HG13 VAL A 101 1.806 1.418 -1.117 1.00 31.41 H new ATOM 0 HG21 VAL A 101 3.539 -1.078 -0.562 1.00 41.23 H new ATOM 0 HG22 VAL A 101 3.435 -0.320 -2.168 1.00 41.23 H new ATOM 0 HG23 VAL A 101 5.021 -0.553 -1.396 1.00 41.23 H new ATOM 1636 N GLU A 102 6.767 2.242 -0.750 1.00 33.11 N ATOM 1637 CA GLU A 102 8.211 2.023 -0.856 1.00 1.22 C ATOM 1638 C GLU A 102 8.733 1.334 0.403 1.00 51.22 C ATOM 1639 O GLU A 102 8.543 1.839 1.514 1.00 12.21 O ATOM 1640 CB GLU A 102 8.966 3.348 -1.116 1.00 41.11 C ATOM 1641 CG GLU A 102 8.656 4.482 -0.139 1.00 34.12 C ATOM 1642 CD GLU A 102 9.447 5.740 -0.437 1.00 72.23 C ATOM 1643 OE1 GLU A 102 10.569 5.876 0.095 1.00 62.13 O ATOM 1644 OE2 GLU A 102 8.945 6.590 -1.203 1.00 41.33 O ATOM 0 H GLU A 102 6.473 2.662 0.132 1.00 33.11 H new ATOM 0 HA GLU A 102 8.394 1.372 -1.711 1.00 1.22 H new ATOM 0 HB2 GLU A 102 10.037 3.148 -1.086 1.00 41.11 H new ATOM 0 HB3 GLU A 102 8.733 3.687 -2.125 1.00 41.11 H new ATOM 0 HG2 GLU A 102 7.591 4.709 -0.178 1.00 34.12 H new ATOM 0 HG3 GLU A 102 8.875 4.152 0.877 1.00 34.12 H new ATOM 1651 N LEU A 103 9.393 0.182 0.219 1.00 24.24 N ATOM 1652 CA LEU A 103 9.943 -0.589 1.338 1.00 4.34 C ATOM 1653 C LEU A 103 11.190 0.095 1.913 1.00 3.51 C ATOM 1654 O LEU A 103 12.271 0.059 1.316 1.00 64.00 O ATOM 1655 CB LEU A 103 10.257 -2.028 0.893 1.00 3.14 C ATOM 1656 CG LEU A 103 9.578 -3.141 1.716 1.00 43.24 C ATOM 1657 CD1 LEU A 103 9.450 -4.419 0.913 1.00 32.51 C ATOM 1658 CD2 LEU A 103 10.314 -3.413 3.024 1.00 21.32 C ATOM 0 H LEU A 103 9.558 -0.235 -0.697 1.00 24.24 H new ATOM 0 HA LEU A 103 9.194 -0.632 2.129 1.00 4.34 H new ATOM 0 HB2 LEU A 103 9.961 -2.140 -0.150 1.00 3.14 H new ATOM 0 HB3 LEU A 103 11.336 -2.176 0.936 1.00 3.14 H new ATOM 0 HG LEU A 103 8.578 -2.783 1.962 1.00 43.24 H new ATOM 0 HD11 LEU A 103 8.967 -5.184 1.521 1.00 32.51 H new ATOM 0 HD12 LEU A 103 8.850 -4.231 0.023 1.00 32.51 H new ATOM 0 HD13 LEU A 103 10.441 -4.763 0.616 1.00 32.51 H new ATOM 0 HD21 LEU A 103 9.802 -4.204 3.572 1.00 21.32 H new ATOM 0 HD22 LEU A 103 11.336 -3.724 2.808 1.00 21.32 H new ATOM 0 HD23 LEU A 103 10.331 -2.505 3.628 1.00 21.32 H new ATOM 1670 N LEU A 104 11.006 0.744 3.070 1.00 4.14 N ATOM 1671 CA LEU A 104 12.080 1.469 3.748 1.00 44.13 C ATOM 1672 C LEU A 104 12.839 0.560 4.721 1.00 0.54 C ATOM 1673 O LEU A 104 14.057 0.402 4.603 1.00 14.41 O ATOM 1674 CB LEU A 104 11.497 2.691 4.488 1.00 71.51 C ATOM 1675 CG LEU A 104 10.578 3.597 3.649 1.00 54.14 C ATOM 1676 CD1 LEU A 104 9.610 4.357 4.540 1.00 73.51 C ATOM 1677 CD2 LEU A 104 11.393 4.567 2.804 1.00 62.23 C ATOM 0 H LEU A 104 10.111 0.779 3.558 1.00 4.14 H new ATOM 0 HA LEU A 104 12.792 1.812 2.997 1.00 44.13 H new ATOM 0 HB2 LEU A 104 10.937 2.337 5.353 1.00 71.51 H new ATOM 0 HB3 LEU A 104 12.323 3.292 4.867 1.00 71.51 H new ATOM 0 HG LEU A 104 10.002 2.959 2.978 1.00 54.14 H new ATOM 0 HD11 LEU A 104 8.971 4.991 3.925 1.00 73.51 H new ATOM 0 HD12 LEU A 104 8.994 3.649 5.095 1.00 73.51 H new ATOM 0 HD13 LEU A 104 10.170 4.977 5.240 1.00 73.51 H new ATOM 0 HD21 LEU A 104 10.720 5.196 2.221 1.00 62.23 H new ATOM 0 HD22 LEU A 104 12.002 5.194 3.455 1.00 62.23 H new ATOM 0 HD23 LEU A 104 12.041 4.007 2.130 1.00 62.23 H new HETATM 1689 N MLY A 105 12.107 -0.034 5.681 1.00 1.45 N HETATM 1690 CA MLY A 105 12.692 -0.932 6.690 1.00 43.20 C HETATM 1691 CB MLY A 105 13.546 -0.141 7.717 1.00 74.32 C HETATM 1692 CG MLY A 105 12.785 0.915 8.524 1.00 22.12 C HETATM 1693 CD MLY A 105 13.723 1.931 9.171 1.00 71.52 C HETATM 1694 CE MLY A 105 13.882 1.673 10.663 1.00 2.14 C HETATM 1695 NZ MLY A 105 14.797 2.668 11.249 1.00 24.33 N HETATM 1696 CH1 MLY A 105 15.956 1.982 11.843 1.00 41.55 C HETATM 1697 CH2 MLY A 105 14.095 3.431 12.292 1.00 22.51 C HETATM 1698 C MLY A 105 11.595 -1.751 7.392 1.00 74.02 C HETATM 1699 O MLY A 105 10.402 -1.497 7.199 1.00 23.23 O HETATM 0 HH23 MLY A 105 13.238 3.942 11.854 1.00 22.51 H new HETATM 0 HH22 MLY A 105 13.753 2.751 13.072 1.00 22.51 H new HETATM 0 HH21 MLY A 105 14.774 4.166 12.724 1.00 22.51 H new HETATM 0 HH13 MLY A 105 15.615 1.300 12.622 1.00 41.55 H new HETATM 0 HH12 MLY A 105 16.480 1.418 11.071 1.00 41.55 H new HETATM 0 HH11 MLY A 105 16.632 2.719 12.276 1.00 41.55 H new HETATM 0 HG3 MLY A 105 12.084 1.434 7.870 1.00 22.12 H new HETATM 0 HG2 MLY A 105 12.195 0.423 9.297 1.00 22.12 H new HETATM 0 HE3 MLY A 105 12.911 1.725 11.155 1.00 2.14 H new HETATM 0 HE2 MLY A 105 14.270 0.668 10.828 1.00 2.14 H new HETATM 0 HD3 MLY A 105 14.699 1.887 8.687 1.00 71.52 H new HETATM 0 HD2 MLY A 105 13.335 2.937 9.014 1.00 71.52 H new HETATM 0 HB3 MLY A 105 13.998 -0.849 8.411 1.00 74.32 H new HETATM 0 HB2 MLY A 105 14.362 0.349 7.186 1.00 74.32 H new HETATM 0 HA MLY A 105 13.356 -1.628 6.178 1.00 43.20 H new ATOM 1716 N LEU A 106 12.017 -2.726 8.202 1.00 51.44 N ATOM 1717 CA LEU A 106 11.088 -3.588 8.938 1.00 50.34 C ATOM 1718 C LEU A 106 11.365 -3.525 10.437 1.00 15.14 C ATOM 1719 O LEU A 106 12.519 -3.388 10.854 1.00 24.35 O ATOM 1720 CB LEU A 106 11.192 -5.045 8.452 1.00 64.41 C ATOM 1721 CG LEU A 106 11.092 -5.265 6.932 1.00 43.31 C ATOM 1722 CD1 LEU A 106 11.676 -6.617 6.554 1.00 23.33 C ATOM 1723 CD2 LEU A 106 9.647 -5.164 6.453 1.00 3.23 C ATOM 0 H LEU A 106 13.001 -2.939 8.365 1.00 51.44 H new ATOM 0 HA LEU A 106 10.078 -3.225 8.750 1.00 50.34 H new ATOM 0 HB2 LEU A 106 12.143 -5.453 8.795 1.00 64.41 H new ATOM 0 HB3 LEU A 106 10.404 -5.624 8.934 1.00 64.41 H new ATOM 0 HG LEU A 106 11.667 -4.480 6.441 1.00 43.31 H new ATOM 0 HD11 LEU A 106 11.598 -6.758 5.476 1.00 23.33 H new ATOM 0 HD12 LEU A 106 12.724 -6.656 6.850 1.00 23.33 H new ATOM 0 HD13 LEU A 106 11.125 -7.407 7.064 1.00 23.33 H new ATOM 0 HD21 LEU A 106 9.609 -5.324 5.375 1.00 3.23 H new ATOM 0 HD22 LEU A 106 9.044 -5.921 6.954 1.00 3.23 H new ATOM 0 HD23 LEU A 106 9.254 -4.174 6.687 1.00 3.23 H new ATOM 1735 N GLU A 107 10.298 -3.628 11.238 1.00 12.24 N ATOM 1736 CA GLU A 107 10.417 -3.587 12.697 1.00 25.05 C ATOM 1737 C GLU A 107 9.726 -4.790 13.331 1.00 14.04 C ATOM 1738 O GLU A 107 9.864 -5.918 12.857 1.00 15.01 O ATOM 1739 CB GLU A 107 9.821 -2.290 13.260 1.00 65.53 C ATOM 1740 CG GLU A 107 10.589 -1.033 12.877 1.00 41.44 C ATOM 1741 CD GLU A 107 10.115 0.193 13.635 1.00 62.30 C ATOM 1742 OE1 GLU A 107 9.047 0.736 13.280 1.00 0.45 O ATOM 1743 OE2 GLU A 107 10.813 0.611 14.583 1.00 25.40 O ATOM 0 H GLU A 107 9.343 -3.740 10.899 1.00 12.24 H new ATOM 0 HA GLU A 107 11.478 -3.620 12.943 1.00 25.05 H new ATOM 0 HB2 GLU A 107 8.793 -2.194 12.911 1.00 65.53 H new ATOM 0 HB3 GLU A 107 9.783 -2.362 14.347 1.00 65.53 H new ATOM 0 HG2 GLU A 107 11.651 -1.187 13.070 1.00 41.44 H new ATOM 0 HG3 GLU A 107 10.482 -0.858 11.807 1.00 41.44 H new TER 1750 GLU A 107