USER MOD reduce.3.24.130724 H: found=0, std=0, add=925, rem=0, adj=37 USER MOD reduce.3.24.130724 removed 923 hydrogens (0 hets) USER MOD ----------------------------------------------------------------- USER MOD scores for adjustable sidechains, with "set" totals for H,N and Q USER MOD "o" means original, "f" means flipped, "180deg" is methyl default USER MOD "!" flags a clash with an overlap of 0.40A or greater USER MOD flip categories: "K"=keep, "C"=clashes, "X"=uncertain, "F"=flip USER MOD Single : A 1 GLY N :NH3+ -113:sc= 0.0743 (180deg=0) USER MOD Single : A 2 SER OG : rot 180:sc= -0.109 USER MOD Single : A 3 SER OG : rot 180:sc= 0 USER MOD Single : A 5 SER OG : rot 180:sc= 0 USER MOD Single : A 6 SER OG : rot 23:sc= 0.316 USER MOD Single : A 9 SER OG : rot 180:sc= 0 USER MOD Single : A 15 THR OG1 : rot 180:sc= 0.0119 USER MOD Single : A 22 TYR OH : rot 30:sc= -1.71 USER MOD Single : A 24 SER OG : rot 180:sc= 0 USER MOD Single : A 25 MET CE :methyl -145:sc= -3.52! (180deg=-6.15!) USER MOD Single : A 26 LYS NZ :NH3+ -138:sc=-0.00977 (180deg=-1.29!) USER MOD Single : A 28 THR OG1 : rot 180:sc= 0 USER MOD Single : A 30 LYS NZ :NH3+ 161:sc= -0.0168 (180deg=-0.196) USER MOD Single : A 33 LYS NZ :NH3+ -115:sc= -5.39! (180deg=-7.35!) USER MOD Single : A 36 ASN : amide:sc= -0.0446 K(o=-0.045,f=-6.6!) USER MOD Single : A 39 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 41 LYS NZ :NH3+ -152:sc= -0.184 (180deg=-0.767) USER MOD Single : A 42 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 45 ASN :FLIP amide:sc= -0.272 F(o=-0.94,f=-0.27) USER MOD Single : A 46 HIS : no HD1:sc= 0 X(o=0,f=0) USER MOD Single : A 47 CYS SG : rot -17:sc= -1.6! USER MOD Single : A 49 THR OG1 : rot 180:sc= 0 USER MOD Single : A 51 ASN : amide:sc= -0.809 K(o=-0.81,f=-2.6!) USER MOD Single : A 52 CYS SG : rot 170:sc= -2.11! USER MOD Single : A 59 SER OG : rot 180:sc= 0 USER MOD Single : A 60 ASN : amide:sc= -0.491 X(o=-0.49,f=-0.62) USER MOD Single : A 61 GLN : amide:sc= 0 X(o=0,f=-0.0052) USER MOD Single : A 62 SER OG : rot 180:sc= 0 USER MOD Single : A 65 ASN : amide:sc= -0.781 K(o=-0.78,f=-2) USER MOD Single : A 67 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 71 MET CE :methyl -161:sc= -0.127 (180deg=-0.614) USER MOD Single : A 74 SER OG : rot -60:sc= 0.662 USER MOD Single : A 75 SER OG : rot 36:sc= -0.561! USER MOD Single : A 78 ASN : amide:sc= -0.0741 K(o=-0.074,f=-0.81) USER MOD Single : A 81 TYR OH : rot 180:sc= -0.471 USER MOD Single : A 83 GLN : amide:sc= -0.0829 K(o=-0.083,f=-1.5!) USER MOD Single : A 88 MET CE :methyl -158:sc= 0 (180deg=-0.535) USER MOD Single : A 89 SER OG : rot -120:sc= -1.24 USER MOD Single : A 90 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 91 SER OG : rot 180:sc= 0 USER MOD Single : A 96 THR OG1 : rot 48:sc= 0.371 USER MOD Single : A 99 ASN : amide:sc= -0.215 K(o=-0.22,f=-0.86) USER MOD Single : A 104 ASN : amide:sc= -0.174 K(o=-0.17,f=-1.9!) USER MOD Single : A 109 TYR OH : rot 180:sc= -0.251 USER MOD Single : A 110 TYR OH : rot 180:sc= 0 USER MOD Single : A 114 SER OG : rot 180:sc= 0 USER MOD Single : A 118 CYS SG : rot 129:sc= -2.39 USER MOD Single : A 121 ASN :FLIP amide:sc= -0.956! F(o=-1.6,f=-0.96!) USER MOD Single : A 122 SER OG : rot 37:sc= 0.253 USER MOD Single : A 125 SER OG : rot 56:sc= 0.552 USER MOD Single : A 126 SER OG : rot 180:sc= 0 USER MOD ----------------------------------------------------------------- ATOM 1 N GLY A 1 -5.321 5.829 8.344 1.00 0.00 N ATOM 2 CA GLY A 1 -5.398 7.130 8.982 1.00 0.00 C ATOM 3 C GLY A 1 -4.785 8.228 8.135 1.00 0.00 C ATOM 4 O GLY A 1 -4.092 7.952 7.155 1.00 0.00 O ATOM 0 H1 GLY A 1 -6.279 5.504 8.101 1.00 0.00 H new ATOM 0 H2 GLY A 1 -4.749 5.900 7.478 1.00 0.00 H new ATOM 0 H3 GLY A 1 -4.880 5.149 8.995 1.00 0.00 H new ATOM 0 HA2 GLY A 1 -6.442 7.371 9.184 1.00 0.00 H new ATOM 0 HA3 GLY A 1 -4.888 7.090 9.944 1.00 0.00 H new ATOM 8 N SER A 2 -5.040 9.477 8.512 1.00 0.00 N ATOM 9 CA SER A 2 -4.513 10.620 7.776 1.00 0.00 C ATOM 10 C SER A 2 -3.491 11.381 8.616 1.00 0.00 C ATOM 11 O SER A 2 -2.356 11.594 8.190 1.00 0.00 O ATOM 12 CB SER A 2 -5.650 11.556 7.363 1.00 0.00 C ATOM 13 OG SER A 2 -6.403 11.972 8.490 1.00 0.00 O ATOM 0 H SER A 2 -5.608 9.723 9.323 1.00 0.00 H new ATOM 0 HA SER A 2 -4.016 10.247 6.880 1.00 0.00 H new ATOM 0 HB2 SER A 2 -5.240 12.428 6.853 1.00 0.00 H new ATOM 0 HB3 SER A 2 -6.303 11.049 6.652 1.00 0.00 H new ATOM 0 HG SER A 2 -7.123 12.571 8.200 1.00 0.00 H new ATOM 19 N SER A 3 -3.904 11.789 9.812 1.00 0.00 N ATOM 20 CA SER A 3 -3.027 12.531 10.711 1.00 0.00 C ATOM 21 C SER A 3 -1.658 11.864 10.807 1.00 0.00 C ATOM 22 O SER A 3 -1.544 10.641 10.730 1.00 0.00 O ATOM 23 CB SER A 3 -3.656 12.632 12.102 1.00 0.00 C ATOM 24 OG SER A 3 -2.712 13.084 13.057 1.00 0.00 O ATOM 0 H SER A 3 -4.840 11.618 10.181 1.00 0.00 H new ATOM 0 HA SER A 3 -2.896 13.534 10.305 1.00 0.00 H new ATOM 0 HB2 SER A 3 -4.504 13.316 12.072 1.00 0.00 H new ATOM 0 HB3 SER A 3 -4.043 11.658 12.401 1.00 0.00 H new ATOM 0 HG SER A 3 -3.139 13.142 13.937 1.00 0.00 H new ATOM 30 N GLY A 4 -0.621 12.678 10.975 1.00 0.00 N ATOM 31 CA GLY A 4 0.727 12.150 11.079 1.00 0.00 C ATOM 32 C GLY A 4 1.731 12.965 10.288 1.00 0.00 C ATOM 33 O GLY A 4 2.207 12.527 9.240 1.00 0.00 O ATOM 0 H GLY A 4 -0.690 13.694 11.041 1.00 0.00 H new ATOM 0 HA2 GLY A 4 1.026 12.129 12.127 1.00 0.00 H new ATOM 0 HA3 GLY A 4 0.739 11.120 10.723 1.00 0.00 H new ATOM 37 N SER A 5 2.053 14.153 10.788 1.00 0.00 N ATOM 38 CA SER A 5 3.003 15.033 10.117 1.00 0.00 C ATOM 39 C SER A 5 3.684 15.961 11.119 1.00 0.00 C ATOM 40 O SER A 5 3.033 16.539 11.989 1.00 0.00 O ATOM 41 CB SER A 5 2.294 15.858 9.041 1.00 0.00 C ATOM 42 OG SER A 5 1.428 16.818 9.622 1.00 0.00 O ATOM 0 H SER A 5 1.670 14.529 11.656 1.00 0.00 H new ATOM 0 HA SER A 5 3.765 14.413 9.646 1.00 0.00 H new ATOM 0 HB2 SER A 5 3.034 16.361 8.418 1.00 0.00 H new ATOM 0 HB3 SER A 5 1.724 15.197 8.388 1.00 0.00 H new ATOM 0 HG SER A 5 0.988 17.333 8.914 1.00 0.00 H new ATOM 48 N SER A 6 5.000 16.098 10.988 1.00 0.00 N ATOM 49 CA SER A 6 5.772 16.952 11.883 1.00 0.00 C ATOM 50 C SER A 6 7.022 17.480 11.186 1.00 0.00 C ATOM 51 O SER A 6 7.286 17.155 10.030 1.00 0.00 O ATOM 52 CB SER A 6 6.165 16.182 13.145 1.00 0.00 C ATOM 53 OG SER A 6 5.128 16.222 14.111 1.00 0.00 O ATOM 0 H SER A 6 5.553 15.629 10.271 1.00 0.00 H new ATOM 0 HA SER A 6 5.148 17.800 12.164 1.00 0.00 H new ATOM 0 HB2 SER A 6 6.387 15.146 12.888 1.00 0.00 H new ATOM 0 HB3 SER A 6 7.075 16.608 13.566 1.00 0.00 H new ATOM 0 HG SER A 6 4.272 16.394 13.665 1.00 0.00 H new ATOM 59 N GLY A 7 7.789 18.298 11.901 1.00 0.00 N ATOM 60 CA GLY A 7 9.003 18.859 11.336 1.00 0.00 C ATOM 61 C GLY A 7 8.847 20.319 10.962 1.00 0.00 C ATOM 62 O GLY A 7 7.803 20.729 10.454 1.00 0.00 O ATOM 0 H GLY A 7 7.592 18.582 12.861 1.00 0.00 H new ATOM 0 HA2 GLY A 7 9.816 18.756 12.055 1.00 0.00 H new ATOM 0 HA3 GLY A 7 9.286 18.289 10.451 1.00 0.00 H new ATOM 66 N ARG A 8 9.887 21.108 11.215 1.00 0.00 N ATOM 67 CA ARG A 8 9.859 22.532 10.904 1.00 0.00 C ATOM 68 C ARG A 8 10.086 22.767 9.413 1.00 0.00 C ATOM 69 O ARG A 8 10.255 23.904 8.973 1.00 0.00 O ATOM 70 CB ARG A 8 10.923 23.273 11.715 1.00 0.00 C ATOM 71 CG ARG A 8 12.334 23.093 11.179 1.00 0.00 C ATOM 72 CD ARG A 8 13.082 22.004 11.932 1.00 0.00 C ATOM 73 NE ARG A 8 14.144 21.411 11.124 1.00 0.00 N ATOM 74 CZ ARG A 8 13.921 20.605 10.092 1.00 0.00 C ATOM 75 NH1 ARG A 8 12.679 20.298 9.744 1.00 0.00 N ATOM 76 NH2 ARG A 8 14.940 20.105 9.406 1.00 0.00 N ATOM 0 H ARG A 8 10.759 20.785 11.634 1.00 0.00 H new ATOM 0 HA ARG A 8 8.875 22.918 11.170 1.00 0.00 H new ATOM 0 HB2 ARG A 8 10.682 24.336 11.729 1.00 0.00 H new ATOM 0 HB3 ARG A 8 10.889 22.925 12.747 1.00 0.00 H new ATOM 0 HG2 ARG A 8 12.292 22.841 10.119 1.00 0.00 H new ATOM 0 HG3 ARG A 8 12.878 24.034 11.262 1.00 0.00 H new ATOM 0 HD2 ARG A 8 13.510 22.422 12.843 1.00 0.00 H new ATOM 0 HD3 ARG A 8 12.381 21.227 12.236 1.00 0.00 H new ATOM 0 HE ARG A 8 15.111 21.628 11.366 1.00 0.00 H new ATOM 0 HH11 ARG A 8 11.893 20.681 10.269 1.00 0.00 H new ATOM 0 HH12 ARG A 8 12.510 19.679 8.951 1.00 0.00 H new ATOM 0 HH21 ARG A 8 15.897 20.339 9.671 1.00 0.00 H new ATOM 0 HH22 ARG A 8 14.767 19.486 8.614 1.00 0.00 H new ATOM 90 N SER A 9 10.087 21.685 8.642 1.00 0.00 N ATOM 91 CA SER A 9 10.297 21.773 7.202 1.00 0.00 C ATOM 92 C SER A 9 9.431 20.757 6.463 1.00 0.00 C ATOM 93 O SER A 9 8.913 19.815 7.063 1.00 0.00 O ATOM 94 CB SER A 9 11.772 21.544 6.865 1.00 0.00 C ATOM 95 OG SER A 9 12.577 22.601 7.356 1.00 0.00 O ATOM 0 H SER A 9 9.945 20.737 8.990 1.00 0.00 H new ATOM 0 HA SER A 9 10.009 22.773 6.879 1.00 0.00 H new ATOM 0 HB2 SER A 9 12.104 20.599 7.296 1.00 0.00 H new ATOM 0 HB3 SER A 9 11.893 21.462 5.785 1.00 0.00 H new ATOM 0 HG SER A 9 13.515 22.430 7.129 1.00 0.00 H new ATOM 101 N ILE A 10 9.279 20.956 5.158 1.00 0.00 N ATOM 102 CA ILE A 10 8.477 20.057 4.337 1.00 0.00 C ATOM 103 C ILE A 10 9.207 19.689 3.050 1.00 0.00 C ATOM 104 O ILE A 10 9.311 20.501 2.130 1.00 0.00 O ATOM 105 CB ILE A 10 7.116 20.683 3.981 1.00 0.00 C ATOM 106 CG1 ILE A 10 6.479 21.312 5.222 1.00 0.00 C ATOM 107 CG2 ILE A 10 6.192 19.636 3.378 1.00 0.00 C ATOM 108 CD1 ILE A 10 5.988 20.297 6.230 1.00 0.00 C ATOM 0 H ILE A 10 9.700 21.731 4.647 1.00 0.00 H new ATOM 0 HA ILE A 10 8.310 19.156 4.927 1.00 0.00 H new ATOM 0 HB ILE A 10 7.276 21.467 3.241 1.00 0.00 H new ATOM 0 HG12 ILE A 10 7.207 21.966 5.702 1.00 0.00 H new ATOM 0 HG13 ILE A 10 5.643 21.939 4.913 1.00 0.00 H new ATOM 0 HG21 ILE A 10 5.234 20.094 3.132 1.00 0.00 H new ATOM 0 HG22 ILE A 10 6.643 19.230 2.473 1.00 0.00 H new ATOM 0 HG23 ILE A 10 6.035 18.832 4.097 1.00 0.00 H new ATOM 0 HD11 ILE A 10 5.549 20.814 7.083 1.00 0.00 H new ATOM 0 HD12 ILE A 10 5.236 19.658 5.767 1.00 0.00 H new ATOM 0 HD13 ILE A 10 6.825 19.686 6.568 1.00 0.00 H new ATOM 120 N ARG A 11 9.711 18.461 2.992 1.00 0.00 N ATOM 121 CA ARG A 11 10.431 17.985 1.817 1.00 0.00 C ATOM 122 C ARG A 11 9.460 17.566 0.717 1.00 0.00 C ATOM 123 O ARG A 11 9.731 17.754 -0.470 1.00 0.00 O ATOM 124 CB ARG A 11 11.336 16.809 2.189 1.00 0.00 C ATOM 125 CG ARG A 11 12.380 17.152 3.239 1.00 0.00 C ATOM 126 CD ARG A 11 11.851 16.922 4.646 1.00 0.00 C ATOM 127 NE ARG A 11 12.924 16.901 5.637 1.00 0.00 N ATOM 128 CZ ARG A 11 12.722 16.698 6.934 1.00 0.00 C ATOM 129 NH1 ARG A 11 11.494 16.499 7.395 1.00 0.00 N ATOM 130 NH2 ARG A 11 13.749 16.692 7.774 1.00 0.00 N ATOM 0 H ARG A 11 9.634 17.777 3.745 1.00 0.00 H new ATOM 0 HA ARG A 11 11.046 18.803 1.442 1.00 0.00 H new ATOM 0 HB2 ARG A 11 10.719 15.989 2.557 1.00 0.00 H new ATOM 0 HB3 ARG A 11 11.840 16.451 1.291 1.00 0.00 H new ATOM 0 HG2 ARG A 11 13.271 16.544 3.080 1.00 0.00 H new ATOM 0 HG3 ARG A 11 12.681 18.194 3.128 1.00 0.00 H new ATOM 0 HD2 ARG A 11 11.139 17.708 4.899 1.00 0.00 H new ATOM 0 HD3 ARG A 11 11.308 15.977 4.679 1.00 0.00 H new ATOM 0 HE ARG A 11 13.880 17.050 5.315 1.00 0.00 H new ATOM 0 HH11 ARG A 11 10.702 16.502 6.753 1.00 0.00 H new ATOM 0 HH12 ARG A 11 11.342 16.343 8.392 1.00 0.00 H new ATOM 0 HH21 ARG A 11 14.695 16.843 7.424 1.00 0.00 H new ATOM 0 HH22 ARG A 11 13.592 16.536 8.770 1.00 0.00 H new ATOM 144 N LEU A 12 8.329 16.997 1.119 1.00 0.00 N ATOM 145 CA LEU A 12 7.317 16.550 0.168 1.00 0.00 C ATOM 146 C LEU A 12 6.717 17.733 -0.584 1.00 0.00 C ATOM 147 O LEU A 12 6.743 18.873 -0.120 1.00 0.00 O ATOM 148 CB LEU A 12 6.214 15.778 0.892 1.00 0.00 C ATOM 149 CG LEU A 12 6.556 14.345 1.304 1.00 0.00 C ATOM 150 CD1 LEU A 12 6.858 13.496 0.079 1.00 0.00 C ATOM 151 CD2 LEU A 12 7.733 14.334 2.267 1.00 0.00 C ATOM 0 H LEU A 12 8.090 16.834 2.097 1.00 0.00 H new ATOM 0 HA LEU A 12 7.798 15.891 -0.554 1.00 0.00 H new ATOM 0 HB2 LEU A 12 5.935 16.335 1.786 1.00 0.00 H new ATOM 0 HB3 LEU A 12 5.335 15.750 0.248 1.00 0.00 H new ATOM 0 HG LEU A 12 5.692 13.917 1.813 1.00 0.00 H new ATOM 0 HD11 LEU A 12 7.099 12.480 0.391 1.00 0.00 H new ATOM 0 HD12 LEU A 12 5.986 13.478 -0.575 1.00 0.00 H new ATOM 0 HD13 LEU A 12 7.706 13.921 -0.458 1.00 0.00 H new ATOM 0 HD21 LEU A 12 7.962 13.307 2.549 1.00 0.00 H new ATOM 0 HD22 LEU A 12 8.602 14.780 1.784 1.00 0.00 H new ATOM 0 HD23 LEU A 12 7.479 14.907 3.159 1.00 0.00 H new ATOM 163 N PRO A 13 6.159 17.458 -1.773 1.00 0.00 N ATOM 164 CA PRO A 13 5.538 18.487 -2.613 1.00 0.00 C ATOM 165 C PRO A 13 4.239 19.016 -2.016 1.00 0.00 C ATOM 166 O PRO A 13 3.197 18.368 -2.103 1.00 0.00 O ATOM 167 CB PRO A 13 5.263 17.752 -3.927 1.00 0.00 C ATOM 168 CG PRO A 13 5.149 16.317 -3.543 1.00 0.00 C ATOM 169 CD PRO A 13 6.092 16.122 -2.388 1.00 0.00 C ATOM 0 HA PRO A 13 6.177 19.363 -2.724 1.00 0.00 H new ATOM 0 HB2 PRO A 13 4.347 18.110 -4.396 1.00 0.00 H new ATOM 0 HB3 PRO A 13 6.070 17.907 -4.643 1.00 0.00 H new ATOM 0 HG2 PRO A 13 4.126 16.069 -3.258 1.00 0.00 H new ATOM 0 HG3 PRO A 13 5.414 15.667 -4.377 1.00 0.00 H new ATOM 0 HD2 PRO A 13 5.720 15.375 -1.687 1.00 0.00 H new ATOM 0 HD3 PRO A 13 7.073 15.784 -2.723 1.00 0.00 H new ATOM 177 N GLU A 14 4.309 20.197 -1.411 1.00 0.00 N ATOM 178 CA GLU A 14 3.137 20.812 -0.799 1.00 0.00 C ATOM 179 C GLU A 14 1.981 20.887 -1.793 1.00 0.00 C ATOM 180 O GLU A 14 0.812 20.877 -1.406 1.00 0.00 O ATOM 181 CB GLU A 14 3.476 22.215 -0.289 1.00 0.00 C ATOM 182 CG GLU A 14 3.931 23.167 -1.383 1.00 0.00 C ATOM 183 CD GLU A 14 4.064 24.596 -0.894 1.00 0.00 C ATOM 184 OE1 GLU A 14 4.735 24.810 0.137 1.00 0.00 O ATOM 185 OE2 GLU A 14 3.497 25.500 -1.543 1.00 0.00 O ATOM 0 H GLU A 14 5.164 20.747 -1.331 1.00 0.00 H new ATOM 0 HA GLU A 14 2.831 20.191 0.043 1.00 0.00 H new ATOM 0 HB2 GLU A 14 2.599 22.635 0.205 1.00 0.00 H new ATOM 0 HB3 GLU A 14 4.260 22.139 0.464 1.00 0.00 H new ATOM 0 HG2 GLU A 14 4.890 22.831 -1.776 1.00 0.00 H new ATOM 0 HG3 GLU A 14 3.219 23.134 -2.208 1.00 0.00 H new ATOM 192 N THR A 15 2.316 20.963 -3.077 1.00 0.00 N ATOM 193 CA THR A 15 1.308 21.041 -4.127 1.00 0.00 C ATOM 194 C THR A 15 0.650 19.686 -4.359 1.00 0.00 C ATOM 195 O THR A 15 -0.140 19.520 -5.290 1.00 0.00 O ATOM 196 CB THR A 15 1.915 21.538 -5.453 1.00 0.00 C ATOM 197 OG1 THR A 15 3.127 20.829 -5.733 1.00 0.00 O ATOM 198 CG2 THR A 15 2.198 23.031 -5.392 1.00 0.00 C ATOM 0 H THR A 15 3.278 20.972 -3.415 1.00 0.00 H new ATOM 0 HA THR A 15 0.556 21.754 -3.790 1.00 0.00 H new ATOM 0 HB THR A 15 1.194 21.353 -6.249 1.00 0.00 H new ATOM 0 HG1 THR A 15 3.506 21.149 -6.578 1.00 0.00 H new ATOM 0 HG21 THR A 15 2.626 23.359 -6.339 1.00 0.00 H new ATOM 0 HG22 THR A 15 1.269 23.570 -5.208 1.00 0.00 H new ATOM 0 HG23 THR A 15 2.902 23.235 -4.585 1.00 0.00 H new ATOM 206 N ILE A 16 0.979 18.720 -3.508 1.00 0.00 N ATOM 207 CA ILE A 16 0.418 17.380 -3.621 1.00 0.00 C ATOM 208 C ILE A 16 0.082 16.807 -2.248 1.00 0.00 C ATOM 209 O ILE A 16 0.667 17.203 -1.239 1.00 0.00 O ATOM 210 CB ILE A 16 1.386 16.422 -4.341 1.00 0.00 C ATOM 211 CG1 ILE A 16 1.996 17.105 -5.566 1.00 0.00 C ATOM 212 CG2 ILE A 16 0.665 15.145 -4.744 1.00 0.00 C ATOM 213 CD1 ILE A 16 3.087 16.295 -6.229 1.00 0.00 C ATOM 0 H ILE A 16 1.631 18.841 -2.733 1.00 0.00 H new ATOM 0 HA ILE A 16 -0.495 17.470 -4.209 1.00 0.00 H new ATOM 0 HB ILE A 16 2.192 16.160 -3.655 1.00 0.00 H new ATOM 0 HG12 ILE A 16 1.208 17.301 -6.293 1.00 0.00 H new ATOM 0 HG13 ILE A 16 2.402 18.072 -5.268 1.00 0.00 H new ATOM 0 HG21 ILE A 16 1.362 14.478 -5.252 1.00 0.00 H new ATOM 0 HG22 ILE A 16 0.274 14.652 -3.854 1.00 0.00 H new ATOM 0 HG23 ILE A 16 -0.158 15.388 -5.415 1.00 0.00 H new ATOM 0 HD11 ILE A 16 3.473 16.841 -7.090 1.00 0.00 H new ATOM 0 HD12 ILE A 16 3.894 16.121 -5.518 1.00 0.00 H new ATOM 0 HD13 ILE A 16 2.681 15.338 -6.558 1.00 0.00 H new ATOM 225 N ASP A 17 -0.863 15.874 -2.217 1.00 0.00 N ATOM 226 CA ASP A 17 -1.275 15.244 -0.968 1.00 0.00 C ATOM 227 C ASP A 17 -1.103 13.730 -1.040 1.00 0.00 C ATOM 228 O ASP A 17 -1.781 13.054 -1.815 1.00 0.00 O ATOM 229 CB ASP A 17 -2.731 15.590 -0.654 1.00 0.00 C ATOM 230 CG ASP A 17 -3.087 15.336 0.798 1.00 0.00 C ATOM 231 OD1 ASP A 17 -3.151 14.153 1.195 1.00 0.00 O ATOM 232 OD2 ASP A 17 -3.300 16.319 1.537 1.00 0.00 O ATOM 0 H ASP A 17 -1.358 15.537 -3.043 1.00 0.00 H new ATOM 0 HA ASP A 17 -0.638 15.626 -0.170 1.00 0.00 H new ATOM 0 HB2 ASP A 17 -2.911 16.638 -0.891 1.00 0.00 H new ATOM 0 HB3 ASP A 17 -3.388 15.001 -1.294 1.00 0.00 H new ATOM 237 N LEU A 18 -0.193 13.204 -0.229 1.00 0.00 N ATOM 238 CA LEU A 18 0.069 11.769 -0.201 1.00 0.00 C ATOM 239 C LEU A 18 -1.234 10.978 -0.166 1.00 0.00 C ATOM 240 O LEU A 18 -1.423 10.038 -0.937 1.00 0.00 O ATOM 241 CB LEU A 18 0.929 11.411 1.012 1.00 0.00 C ATOM 242 CG LEU A 18 2.441 11.406 0.785 1.00 0.00 C ATOM 243 CD1 LEU A 18 3.176 11.720 2.080 1.00 0.00 C ATOM 244 CD2 LEU A 18 2.892 10.065 0.226 1.00 0.00 C ATOM 0 H LEU A 18 0.376 13.749 0.418 1.00 0.00 H new ATOM 0 HA LEU A 18 0.608 11.506 -1.111 1.00 0.00 H new ATOM 0 HB2 LEU A 18 0.704 12.116 1.812 1.00 0.00 H new ATOM 0 HB3 LEU A 18 0.631 10.423 1.364 1.00 0.00 H new ATOM 0 HG LEU A 18 2.682 12.180 0.057 1.00 0.00 H new ATOM 0 HD11 LEU A 18 4.251 11.712 1.899 1.00 0.00 H new ATOM 0 HD12 LEU A 18 2.876 12.704 2.439 1.00 0.00 H new ATOM 0 HD13 LEU A 18 2.929 10.969 2.830 1.00 0.00 H new ATOM 0 HD21 LEU A 18 3.971 10.080 0.071 1.00 0.00 H new ATOM 0 HD22 LEU A 18 2.638 9.273 0.930 1.00 0.00 H new ATOM 0 HD23 LEU A 18 2.391 9.880 -0.724 1.00 0.00 H new ATOM 256 N GLY A 19 -2.133 11.367 0.734 1.00 0.00 N ATOM 257 CA GLY A 19 -3.408 10.685 0.851 1.00 0.00 C ATOM 258 C GLY A 19 -4.080 10.476 -0.492 1.00 0.00 C ATOM 259 O GLY A 19 -4.506 9.367 -0.814 1.00 0.00 O ATOM 0 H GLY A 19 -2.000 12.142 1.384 1.00 0.00 H new ATOM 0 HA2 GLY A 19 -3.257 9.719 1.332 1.00 0.00 H new ATOM 0 HA3 GLY A 19 -4.068 11.263 1.498 1.00 0.00 H new ATOM 263 N ALA A 20 -4.176 11.544 -1.276 1.00 0.00 N ATOM 264 CA ALA A 20 -4.800 11.472 -2.592 1.00 0.00 C ATOM 265 C ALA A 20 -4.022 10.546 -3.519 1.00 0.00 C ATOM 266 O ALA A 20 -4.607 9.828 -4.331 1.00 0.00 O ATOM 267 CB ALA A 20 -4.909 12.862 -3.201 1.00 0.00 C ATOM 0 H ALA A 20 -3.830 12.470 -1.023 1.00 0.00 H new ATOM 0 HA ALA A 20 -5.802 11.061 -2.469 1.00 0.00 H new ATOM 0 HB1 ALA A 20 -5.377 12.793 -4.183 1.00 0.00 H new ATOM 0 HB2 ALA A 20 -5.515 13.496 -2.554 1.00 0.00 H new ATOM 0 HB3 ALA A 20 -3.913 13.294 -3.303 1.00 0.00 H new ATOM 273 N LEU A 21 -2.699 10.566 -3.394 1.00 0.00 N ATOM 274 CA LEU A 21 -1.839 9.727 -4.221 1.00 0.00 C ATOM 275 C LEU A 21 -2.096 8.248 -3.950 1.00 0.00 C ATOM 276 O LEU A 21 -2.332 7.469 -4.873 1.00 0.00 O ATOM 277 CB LEU A 21 -0.369 10.057 -3.962 1.00 0.00 C ATOM 278 CG LEU A 21 0.640 9.428 -4.923 1.00 0.00 C ATOM 279 CD1 LEU A 21 0.041 8.207 -5.602 1.00 0.00 C ATOM 280 CD2 LEU A 21 1.096 10.446 -5.959 1.00 0.00 C ATOM 0 H LEU A 21 -2.199 11.154 -2.728 1.00 0.00 H new ATOM 0 HA LEU A 21 -2.072 9.931 -5.266 1.00 0.00 H new ATOM 0 HB2 LEU A 21 -0.249 11.140 -3.998 1.00 0.00 H new ATOM 0 HB3 LEU A 21 -0.120 9.742 -2.949 1.00 0.00 H new ATOM 0 HG LEU A 21 1.510 9.109 -4.348 1.00 0.00 H new ATOM 0 HD11 LEU A 21 0.774 7.773 -6.282 1.00 0.00 H new ATOM 0 HD12 LEU A 21 -0.235 7.470 -4.848 1.00 0.00 H new ATOM 0 HD13 LEU A 21 -0.846 8.501 -6.164 1.00 0.00 H new ATOM 0 HD21 LEU A 21 1.814 9.981 -6.635 1.00 0.00 H new ATOM 0 HD22 LEU A 21 0.235 10.796 -6.529 1.00 0.00 H new ATOM 0 HD23 LEU A 21 1.566 11.291 -5.456 1.00 0.00 H new ATOM 292 N TYR A 22 -2.051 7.870 -2.677 1.00 0.00 N ATOM 293 CA TYR A 22 -2.279 6.484 -2.284 1.00 0.00 C ATOM 294 C TYR A 22 -3.565 5.946 -2.903 1.00 0.00 C ATOM 295 O TYR A 22 -3.655 4.767 -3.250 1.00 0.00 O ATOM 296 CB TYR A 22 -2.347 6.370 -0.760 1.00 0.00 C ATOM 297 CG TYR A 22 -3.040 5.115 -0.277 1.00 0.00 C ATOM 298 CD1 TYR A 22 -2.349 3.914 -0.172 1.00 0.00 C ATOM 299 CD2 TYR A 22 -4.384 5.131 0.072 1.00 0.00 C ATOM 300 CE1 TYR A 22 -2.978 2.765 0.268 1.00 0.00 C ATOM 301 CE2 TYR A 22 -5.020 3.987 0.514 1.00 0.00 C ATOM 302 CZ TYR A 22 -4.313 2.807 0.610 1.00 0.00 C ATOM 303 OH TYR A 22 -4.944 1.665 1.049 1.00 0.00 O ATOM 0 H TYR A 22 -1.859 8.503 -1.901 1.00 0.00 H new ATOM 0 HA TYR A 22 -1.444 5.887 -2.650 1.00 0.00 H new ATOM 0 HB2 TYR A 22 -1.335 6.394 -0.357 1.00 0.00 H new ATOM 0 HB3 TYR A 22 -2.870 7.240 -0.362 1.00 0.00 H new ATOM 0 HD1 TYR A 22 -1.303 3.878 -0.439 1.00 0.00 H new ATOM 0 HD2 TYR A 22 -4.941 6.053 -0.003 1.00 0.00 H new ATOM 0 HE1 TYR A 22 -2.427 1.839 0.344 1.00 0.00 H new ATOM 0 HE2 TYR A 22 -6.066 4.017 0.783 1.00 0.00 H new ATOM 0 HH TYR A 22 -4.296 1.088 1.505 1.00 0.00 H new ATOM 313 N LEU A 23 -4.557 6.818 -3.041 1.00 0.00 N ATOM 314 CA LEU A 23 -5.839 6.432 -3.620 1.00 0.00 C ATOM 315 C LEU A 23 -5.678 6.034 -5.084 1.00 0.00 C ATOM 316 O LEU A 23 -6.264 5.052 -5.538 1.00 0.00 O ATOM 317 CB LEU A 23 -6.842 7.582 -3.500 1.00 0.00 C ATOM 318 CG LEU A 23 -7.253 7.968 -2.079 1.00 0.00 C ATOM 319 CD1 LEU A 23 -7.730 9.411 -2.034 1.00 0.00 C ATOM 320 CD2 LEU A 23 -8.335 7.030 -1.563 1.00 0.00 C ATOM 0 H LEU A 23 -4.499 7.797 -2.760 1.00 0.00 H new ATOM 0 HA LEU A 23 -6.214 5.571 -3.068 1.00 0.00 H new ATOM 0 HB2 LEU A 23 -6.417 8.461 -3.985 1.00 0.00 H new ATOM 0 HB3 LEU A 23 -7.740 7.314 -4.056 1.00 0.00 H new ATOM 0 HG LEU A 23 -6.381 7.875 -1.432 1.00 0.00 H new ATOM 0 HD11 LEU A 23 -8.018 9.667 -1.015 1.00 0.00 H new ATOM 0 HD12 LEU A 23 -6.926 10.070 -2.360 1.00 0.00 H new ATOM 0 HD13 LEU A 23 -8.588 9.531 -2.695 1.00 0.00 H new ATOM 0 HD21 LEU A 23 -8.615 7.320 -0.550 1.00 0.00 H new ATOM 0 HD22 LEU A 23 -9.208 7.090 -2.212 1.00 0.00 H new ATOM 0 HD23 LEU A 23 -7.957 6.008 -1.556 1.00 0.00 H new ATOM 332 N SER A 24 -4.878 6.803 -5.816 1.00 0.00 N ATOM 333 CA SER A 24 -4.641 6.531 -7.229 1.00 0.00 C ATOM 334 C SER A 24 -3.987 5.165 -7.417 1.00 0.00 C ATOM 335 O SER A 24 -4.151 4.525 -8.455 1.00 0.00 O ATOM 336 CB SER A 24 -3.757 7.621 -7.838 1.00 0.00 C ATOM 337 OG SER A 24 -4.484 8.823 -8.025 1.00 0.00 O ATOM 0 H SER A 24 -4.383 7.619 -5.454 1.00 0.00 H new ATOM 0 HA SER A 24 -5.604 6.527 -7.740 1.00 0.00 H new ATOM 0 HB2 SER A 24 -2.903 7.807 -7.187 1.00 0.00 H new ATOM 0 HB3 SER A 24 -3.361 7.280 -8.794 1.00 0.00 H new ATOM 0 HG SER A 24 -3.896 9.504 -8.414 1.00 0.00 H new ATOM 343 N MET A 25 -3.246 4.727 -6.405 1.00 0.00 N ATOM 344 CA MET A 25 -2.568 3.437 -6.458 1.00 0.00 C ATOM 345 C MET A 25 -3.533 2.301 -6.131 1.00 0.00 C ATOM 346 O MET A 25 -3.274 1.141 -6.452 1.00 0.00 O ATOM 347 CB MET A 25 -1.389 3.416 -5.483 1.00 0.00 C ATOM 348 CG MET A 25 -0.558 4.689 -5.507 1.00 0.00 C ATOM 349 SD MET A 25 0.868 4.609 -4.406 1.00 0.00 S ATOM 350 CE MET A 25 2.195 5.007 -5.541 1.00 0.00 C ATOM 0 H MET A 25 -3.100 5.246 -5.539 1.00 0.00 H new ATOM 0 HA MET A 25 -2.195 3.293 -7.472 1.00 0.00 H new ATOM 0 HB2 MET A 25 -1.766 3.257 -4.473 1.00 0.00 H new ATOM 0 HB3 MET A 25 -0.747 2.568 -5.720 1.00 0.00 H new ATOM 0 HG2 MET A 25 -0.216 4.876 -6.525 1.00 0.00 H new ATOM 0 HG3 MET A 25 -1.186 5.533 -5.222 1.00 0.00 H new ATOM 0 HE1 MET A 25 3.087 4.441 -5.271 1.00 0.00 H new ATOM 0 HE2 MET A 25 1.895 4.748 -6.556 1.00 0.00 H new ATOM 0 HE3 MET A 25 2.412 6.074 -5.487 1.00 0.00 H new ATOM 360 N LYS A 26 -4.646 2.643 -5.491 1.00 0.00 N ATOM 361 CA LYS A 26 -5.650 1.653 -5.122 1.00 0.00 C ATOM 362 C LYS A 26 -6.461 1.220 -6.339 1.00 0.00 C ATOM 363 O LYS A 26 -7.037 0.132 -6.358 1.00 0.00 O ATOM 364 CB LYS A 26 -6.584 2.219 -4.049 1.00 0.00 C ATOM 365 CG LYS A 26 -5.906 2.441 -2.708 1.00 0.00 C ATOM 366 CD LYS A 26 -6.888 2.304 -1.557 1.00 0.00 C ATOM 367 CE LYS A 26 -7.894 3.445 -1.544 1.00 0.00 C ATOM 368 NZ LYS A 26 -8.391 3.730 -0.169 1.00 0.00 N ATOM 0 H LYS A 26 -4.875 3.598 -5.217 1.00 0.00 H new ATOM 0 HA LYS A 26 -5.133 0.780 -4.722 1.00 0.00 H new ATOM 0 HB2 LYS A 26 -6.995 3.166 -4.400 1.00 0.00 H new ATOM 0 HB3 LYS A 26 -7.424 1.537 -3.914 1.00 0.00 H new ATOM 0 HG2 LYS A 26 -5.097 1.721 -2.585 1.00 0.00 H new ATOM 0 HG3 LYS A 26 -5.456 3.433 -2.687 1.00 0.00 H new ATOM 0 HD2 LYS A 26 -7.415 1.354 -1.638 1.00 0.00 H new ATOM 0 HD3 LYS A 26 -6.344 2.287 -0.613 1.00 0.00 H new ATOM 0 HE2 LYS A 26 -7.431 4.342 -1.956 1.00 0.00 H new ATOM 0 HE3 LYS A 26 -8.736 3.195 -2.190 1.00 0.00 H new ATOM 0 HZ1 LYS A 26 -9.417 3.900 -0.199 1.00 0.00 H new ATOM 0 HZ2 LYS A 26 -8.193 2.916 0.447 1.00 0.00 H new ATOM 0 HZ3 LYS A 26 -7.911 4.573 0.206 1.00 0.00 H new ATOM 382 N ASP A 27 -6.501 2.077 -7.353 1.00 0.00 N ATOM 383 CA ASP A 27 -7.239 1.782 -8.576 1.00 0.00 C ATOM 384 C ASP A 27 -6.749 0.482 -9.206 1.00 0.00 C ATOM 385 O ASP A 27 -5.581 0.115 -9.071 1.00 0.00 O ATOM 386 CB ASP A 27 -7.096 2.932 -9.573 1.00 0.00 C ATOM 387 CG ASP A 27 -8.198 2.935 -10.615 1.00 0.00 C ATOM 388 OD1 ASP A 27 -8.297 1.951 -11.377 1.00 0.00 O ATOM 389 OD2 ASP A 27 -8.962 3.921 -10.666 1.00 0.00 O ATOM 0 H ASP A 27 -6.031 2.982 -7.352 1.00 0.00 H new ATOM 0 HA ASP A 27 -8.291 1.665 -8.317 1.00 0.00 H new ATOM 0 HB2 ASP A 27 -7.107 3.880 -9.034 1.00 0.00 H new ATOM 0 HB3 ASP A 27 -6.129 2.859 -10.071 1.00 0.00 H new ATOM 394 N THR A 28 -7.650 -0.213 -9.894 1.00 0.00 N ATOM 395 CA THR A 28 -7.310 -1.473 -10.543 1.00 0.00 C ATOM 396 C THR A 28 -6.640 -1.234 -11.891 1.00 0.00 C ATOM 397 O THR A 28 -5.766 -1.997 -12.303 1.00 0.00 O ATOM 398 CB THR A 28 -8.558 -2.352 -10.751 1.00 0.00 C ATOM 399 OG1 THR A 28 -8.175 -3.727 -10.866 1.00 0.00 O ATOM 400 CG2 THR A 28 -9.318 -1.925 -11.998 1.00 0.00 C ATOM 0 H THR A 28 -8.621 0.076 -10.016 1.00 0.00 H new ATOM 0 HA THR A 28 -6.615 -1.992 -9.882 1.00 0.00 H new ATOM 0 HB THR A 28 -9.211 -2.229 -9.887 1.00 0.00 H new ATOM 0 HG1 THR A 28 -8.974 -4.279 -10.996 1.00 0.00 H new ATOM 0 HG21 THR A 28 -10.195 -2.560 -12.125 1.00 0.00 H new ATOM 0 HG22 THR A 28 -9.633 -0.887 -11.894 1.00 0.00 H new ATOM 0 HG23 THR A 28 -8.671 -2.022 -12.870 1.00 0.00 H new ATOM 408 N GLU A 29 -7.054 -0.171 -12.572 1.00 0.00 N ATOM 409 CA GLU A 29 -6.492 0.167 -13.875 1.00 0.00 C ATOM 410 C GLU A 29 -5.630 1.424 -13.786 1.00 0.00 C ATOM 411 O GLU A 29 -4.752 1.649 -14.619 1.00 0.00 O ATOM 412 CB GLU A 29 -7.609 0.374 -14.899 1.00 0.00 C ATOM 413 CG GLU A 29 -8.841 1.056 -14.327 1.00 0.00 C ATOM 414 CD GLU A 29 -9.658 1.768 -15.387 1.00 0.00 C ATOM 415 OE1 GLU A 29 -10.219 1.079 -16.265 1.00 0.00 O ATOM 416 OE2 GLU A 29 -9.737 3.013 -15.339 1.00 0.00 O ATOM 0 H GLU A 29 -7.776 0.471 -12.244 1.00 0.00 H new ATOM 0 HA GLU A 29 -5.863 -0.663 -14.197 1.00 0.00 H new ATOM 0 HB2 GLU A 29 -7.225 0.970 -15.727 1.00 0.00 H new ATOM 0 HB3 GLU A 29 -7.898 -0.593 -15.310 1.00 0.00 H new ATOM 0 HG2 GLU A 29 -9.465 0.313 -13.830 1.00 0.00 H new ATOM 0 HG3 GLU A 29 -8.534 1.774 -13.567 1.00 0.00 H new ATOM 423 N LYS A 30 -5.888 2.240 -12.770 1.00 0.00 N ATOM 424 CA LYS A 30 -5.137 3.474 -12.570 1.00 0.00 C ATOM 425 C LYS A 30 -4.243 3.373 -11.338 1.00 0.00 C ATOM 426 O LYS A 30 -3.680 4.369 -10.884 1.00 0.00 O ATOM 427 CB LYS A 30 -6.094 4.659 -12.423 1.00 0.00 C ATOM 428 CG LYS A 30 -7.217 4.664 -13.445 1.00 0.00 C ATOM 429 CD LYS A 30 -6.807 5.383 -14.720 1.00 0.00 C ATOM 430 CE LYS A 30 -8.015 5.935 -15.462 1.00 0.00 C ATOM 431 NZ LYS A 30 -8.612 7.103 -14.756 1.00 0.00 N ATOM 0 H LYS A 30 -6.612 2.069 -12.072 1.00 0.00 H new ATOM 0 HA LYS A 30 -4.505 3.631 -13.444 1.00 0.00 H new ATOM 0 HB2 LYS A 30 -6.525 4.645 -11.422 1.00 0.00 H new ATOM 0 HB3 LYS A 30 -5.528 5.586 -12.513 1.00 0.00 H new ATOM 0 HG2 LYS A 30 -7.501 3.638 -13.680 1.00 0.00 H new ATOM 0 HG3 LYS A 30 -8.096 5.149 -13.019 1.00 0.00 H new ATOM 0 HD2 LYS A 30 -6.125 6.198 -14.476 1.00 0.00 H new ATOM 0 HD3 LYS A 30 -6.264 4.695 -15.368 1.00 0.00 H new ATOM 0 HE2 LYS A 30 -7.719 6.231 -16.468 1.00 0.00 H new ATOM 0 HE3 LYS A 30 -8.766 5.152 -15.568 1.00 0.00 H new ATOM 0 HZ1 LYS A 30 -9.205 7.643 -15.418 1.00 0.00 H new ATOM 0 HZ2 LYS A 30 -9.196 6.768 -13.963 1.00 0.00 H new ATOM 0 HZ3 LYS A 30 -7.853 7.714 -14.393 1.00 0.00 H new ATOM 445 N GLY A 31 -4.117 2.163 -10.801 1.00 0.00 N ATOM 446 CA GLY A 31 -3.289 1.955 -9.627 1.00 0.00 C ATOM 447 C GLY A 31 -2.116 1.036 -9.901 1.00 0.00 C ATOM 448 O GLY A 31 -1.923 0.583 -11.030 1.00 0.00 O ATOM 0 H GLY A 31 -4.573 1.323 -11.158 1.00 0.00 H new ATOM 0 HA2 GLY A 31 -2.918 2.917 -9.273 1.00 0.00 H new ATOM 0 HA3 GLY A 31 -3.898 1.534 -8.827 1.00 0.00 H new ATOM 452 N ILE A 32 -1.328 0.760 -8.867 1.00 0.00 N ATOM 453 CA ILE A 32 -0.168 -0.111 -9.002 1.00 0.00 C ATOM 454 C ILE A 32 -0.584 -1.577 -9.057 1.00 0.00 C ATOM 455 O ILE A 32 -1.329 -2.055 -8.201 1.00 0.00 O ATOM 456 CB ILE A 32 0.823 0.086 -7.840 1.00 0.00 C ATOM 457 CG1 ILE A 32 1.359 1.520 -7.836 1.00 0.00 C ATOM 458 CG2 ILE A 32 1.967 -0.912 -7.943 1.00 0.00 C ATOM 459 CD1 ILE A 32 2.075 1.894 -6.557 1.00 0.00 C ATOM 0 H ILE A 32 -1.472 1.127 -7.926 1.00 0.00 H new ATOM 0 HA ILE A 32 0.322 0.161 -9.937 1.00 0.00 H new ATOM 0 HB ILE A 32 0.298 -0.089 -6.901 1.00 0.00 H new ATOM 0 HG12 ILE A 32 2.042 1.646 -8.676 1.00 0.00 H new ATOM 0 HG13 ILE A 32 0.530 2.210 -7.994 1.00 0.00 H new ATOM 0 HG21 ILE A 32 2.659 -0.759 -7.114 1.00 0.00 H new ATOM 0 HG22 ILE A 32 1.570 -1.926 -7.902 1.00 0.00 H new ATOM 0 HG23 ILE A 32 2.493 -0.766 -8.886 1.00 0.00 H new ATOM 0 HD11 ILE A 32 2.428 2.923 -6.625 1.00 0.00 H new ATOM 0 HD12 ILE A 32 1.389 1.800 -5.715 1.00 0.00 H new ATOM 0 HD13 ILE A 32 2.925 1.228 -6.408 1.00 0.00 H new ATOM 471 N LYS A 33 -0.096 -2.288 -10.068 1.00 0.00 N ATOM 472 CA LYS A 33 -0.414 -3.701 -10.234 1.00 0.00 C ATOM 473 C LYS A 33 0.483 -4.567 -9.355 1.00 0.00 C ATOM 474 O LYS A 33 1.638 -4.226 -9.106 1.00 0.00 O ATOM 475 CB LYS A 33 -0.258 -4.111 -11.700 1.00 0.00 C ATOM 476 CG LYS A 33 1.136 -3.872 -12.254 1.00 0.00 C ATOM 477 CD LYS A 33 2.030 -5.084 -12.057 1.00 0.00 C ATOM 478 CE LYS A 33 3.333 -4.948 -12.828 1.00 0.00 C ATOM 479 NZ LYS A 33 3.891 -6.273 -13.214 1.00 0.00 N ATOM 0 H LYS A 33 0.522 -1.908 -10.785 1.00 0.00 H new ATOM 0 HA LYS A 33 -1.449 -3.853 -9.929 1.00 0.00 H new ATOM 0 HB2 LYS A 33 -0.503 -5.168 -11.801 1.00 0.00 H new ATOM 0 HB3 LYS A 33 -0.979 -3.558 -12.302 1.00 0.00 H new ATOM 0 HG2 LYS A 33 1.071 -3.636 -13.316 1.00 0.00 H new ATOM 0 HG3 LYS A 33 1.581 -3.007 -11.762 1.00 0.00 H new ATOM 0 HD2 LYS A 33 2.246 -5.209 -10.996 1.00 0.00 H new ATOM 0 HD3 LYS A 33 1.505 -5.981 -12.384 1.00 0.00 H new ATOM 0 HE2 LYS A 33 3.164 -4.350 -13.724 1.00 0.00 H new ATOM 0 HE3 LYS A 33 4.061 -4.411 -12.219 1.00 0.00 H new ATOM 0 HZ1 LYS A 33 4.796 -6.425 -12.724 1.00 0.00 H new ATOM 0 HZ2 LYS A 33 3.222 -7.023 -12.945 1.00 0.00 H new ATOM 0 HZ3 LYS A 33 4.045 -6.299 -14.242 1.00 0.00 H new ATOM 493 N GLU A 34 -0.057 -5.690 -8.891 1.00 0.00 N ATOM 494 CA GLU A 34 0.696 -6.604 -8.041 1.00 0.00 C ATOM 495 C GLU A 34 0.855 -7.965 -8.712 1.00 0.00 C ATOM 496 O GLU A 34 0.044 -8.353 -9.555 1.00 0.00 O ATOM 497 CB GLU A 34 -0.001 -6.769 -6.688 1.00 0.00 C ATOM 498 CG GLU A 34 -0.557 -5.471 -6.128 1.00 0.00 C ATOM 499 CD GLU A 34 -1.979 -5.202 -6.581 1.00 0.00 C ATOM 500 OE1 GLU A 34 -2.839 -6.089 -6.393 1.00 0.00 O ATOM 501 OE2 GLU A 34 -2.232 -4.106 -7.124 1.00 0.00 O ATOM 0 H GLU A 34 -1.012 -5.988 -9.089 1.00 0.00 H new ATOM 0 HA GLU A 34 1.687 -6.178 -7.882 1.00 0.00 H new ATOM 0 HB2 GLU A 34 -0.814 -7.487 -6.793 1.00 0.00 H new ATOM 0 HB3 GLU A 34 0.706 -7.190 -5.973 1.00 0.00 H new ATOM 0 HG2 GLU A 34 -0.527 -5.507 -5.039 1.00 0.00 H new ATOM 0 HG3 GLU A 34 0.081 -4.643 -6.437 1.00 0.00 H new ATOM 508 N LEU A 35 1.906 -8.685 -8.335 1.00 0.00 N ATOM 509 CA LEU A 35 2.173 -10.003 -8.900 1.00 0.00 C ATOM 510 C LEU A 35 2.192 -11.070 -7.810 1.00 0.00 C ATOM 511 O LEU A 35 1.924 -10.784 -6.644 1.00 0.00 O ATOM 512 CB LEU A 35 3.508 -9.998 -9.647 1.00 0.00 C ATOM 513 CG LEU A 35 3.588 -9.086 -10.872 1.00 0.00 C ATOM 514 CD1 LEU A 35 2.290 -9.138 -11.662 1.00 0.00 C ATOM 515 CD2 LEU A 35 3.903 -7.657 -10.453 1.00 0.00 C ATOM 0 H LEU A 35 2.587 -8.378 -7.640 1.00 0.00 H new ATOM 0 HA LEU A 35 1.372 -10.240 -9.600 1.00 0.00 H new ATOM 0 HB2 LEU A 35 4.291 -9.704 -8.948 1.00 0.00 H new ATOM 0 HB3 LEU A 35 3.729 -11.018 -9.963 1.00 0.00 H new ATOM 0 HG LEU A 35 4.394 -9.441 -11.514 1.00 0.00 H new ATOM 0 HD11 LEU A 35 2.366 -8.483 -12.530 1.00 0.00 H new ATOM 0 HD12 LEU A 35 2.107 -10.160 -11.994 1.00 0.00 H new ATOM 0 HD13 LEU A 35 1.466 -8.809 -11.030 1.00 0.00 H new ATOM 0 HD21 LEU A 35 3.956 -7.022 -11.337 1.00 0.00 H new ATOM 0 HD22 LEU A 35 3.119 -7.291 -9.790 1.00 0.00 H new ATOM 0 HD23 LEU A 35 4.860 -7.633 -9.931 1.00 0.00 H new ATOM 527 N ASN A 36 2.511 -12.300 -8.198 1.00 0.00 N ATOM 528 CA ASN A 36 2.567 -13.410 -7.254 1.00 0.00 C ATOM 529 C ASN A 36 3.920 -14.111 -7.317 1.00 0.00 C ATOM 530 O ASN A 36 4.026 -15.237 -7.804 1.00 0.00 O ATOM 531 CB ASN A 36 1.447 -14.411 -7.545 1.00 0.00 C ATOM 532 CG ASN A 36 1.347 -14.754 -9.019 1.00 0.00 C ATOM 533 OD1 ASN A 36 2.065 -14.194 -9.848 1.00 0.00 O ATOM 534 ND2 ASN A 36 0.454 -15.679 -9.352 1.00 0.00 N ATOM 0 H ASN A 36 2.735 -12.554 -9.160 1.00 0.00 H new ATOM 0 HA ASN A 36 2.434 -13.007 -6.250 1.00 0.00 H new ATOM 0 HB2 ASN A 36 1.621 -15.323 -6.974 1.00 0.00 H new ATOM 0 HB3 ASN A 36 0.497 -13.998 -7.206 1.00 0.00 H new ATOM 0 HD21 ASN A 36 0.342 -15.952 -10.328 1.00 0.00 H new ATOM 0 HD22 ASN A 36 -0.120 -16.117 -8.631 1.00 0.00 H new ATOM 541 N LEU A 37 4.953 -13.437 -6.821 1.00 0.00 N ATOM 542 CA LEU A 37 6.301 -13.995 -6.820 1.00 0.00 C ATOM 543 C LEU A 37 6.502 -14.929 -5.630 1.00 0.00 C ATOM 544 O LEU A 37 5.860 -14.774 -4.592 1.00 0.00 O ATOM 545 CB LEU A 37 7.339 -12.872 -6.783 1.00 0.00 C ATOM 546 CG LEU A 37 7.191 -11.787 -7.850 1.00 0.00 C ATOM 547 CD1 LEU A 37 7.749 -10.465 -7.346 1.00 0.00 C ATOM 548 CD2 LEU A 37 7.886 -12.206 -9.137 1.00 0.00 C ATOM 0 H LEU A 37 4.882 -12.504 -6.415 1.00 0.00 H new ATOM 0 HA LEU A 37 6.431 -14.571 -7.736 1.00 0.00 H new ATOM 0 HB2 LEU A 37 7.297 -12.398 -5.803 1.00 0.00 H new ATOM 0 HB3 LEU A 37 8.330 -13.316 -6.880 1.00 0.00 H new ATOM 0 HG LEU A 37 6.130 -11.654 -8.061 1.00 0.00 H new ATOM 0 HD11 LEU A 37 7.635 -9.704 -8.118 1.00 0.00 H new ATOM 0 HD12 LEU A 37 7.206 -10.158 -6.452 1.00 0.00 H new ATOM 0 HD13 LEU A 37 8.806 -10.584 -7.106 1.00 0.00 H new ATOM 0 HD21 LEU A 37 7.770 -11.422 -9.885 1.00 0.00 H new ATOM 0 HD22 LEU A 37 8.946 -12.368 -8.942 1.00 0.00 H new ATOM 0 HD23 LEU A 37 7.440 -13.129 -9.507 1.00 0.00 H new ATOM 560 N GLU A 38 7.400 -15.897 -5.790 1.00 0.00 N ATOM 561 CA GLU A 38 7.687 -16.854 -4.728 1.00 0.00 C ATOM 562 C GLU A 38 9.133 -16.729 -4.259 1.00 0.00 C ATOM 563 O GLU A 38 10.026 -17.402 -4.775 1.00 0.00 O ATOM 564 CB GLU A 38 7.417 -18.281 -5.210 1.00 0.00 C ATOM 565 CG GLU A 38 7.645 -19.338 -4.143 1.00 0.00 C ATOM 566 CD GLU A 38 7.918 -20.709 -4.729 1.00 0.00 C ATOM 567 OE1 GLU A 38 7.169 -21.126 -5.636 1.00 0.00 O ATOM 568 OE2 GLU A 38 8.881 -21.365 -4.280 1.00 0.00 O ATOM 0 H GLU A 38 7.940 -16.039 -6.644 1.00 0.00 H new ATOM 0 HA GLU A 38 7.030 -16.632 -3.887 1.00 0.00 H new ATOM 0 HB2 GLU A 38 6.387 -18.348 -5.561 1.00 0.00 H new ATOM 0 HB3 GLU A 38 8.060 -18.495 -6.064 1.00 0.00 H new ATOM 0 HG2 GLU A 38 8.486 -19.041 -3.516 1.00 0.00 H new ATOM 0 HG3 GLU A 38 6.769 -19.391 -3.497 1.00 0.00 H new ATOM 575 N LYS A 39 9.358 -15.862 -3.277 1.00 0.00 N ATOM 576 CA LYS A 39 10.695 -15.647 -2.737 1.00 0.00 C ATOM 577 C LYS A 39 10.800 -16.187 -1.314 1.00 0.00 C ATOM 578 O LYS A 39 9.807 -16.248 -0.588 1.00 0.00 O ATOM 579 CB LYS A 39 11.042 -14.157 -2.755 1.00 0.00 C ATOM 580 CG LYS A 39 12.475 -13.861 -2.349 1.00 0.00 C ATOM 581 CD LYS A 39 13.447 -14.153 -3.480 1.00 0.00 C ATOM 582 CE LYS A 39 13.370 -13.092 -4.568 1.00 0.00 C ATOM 583 NZ LYS A 39 14.656 -12.965 -5.309 1.00 0.00 N ATOM 0 H LYS A 39 8.631 -15.297 -2.839 1.00 0.00 H new ATOM 0 HA LYS A 39 11.404 -16.186 -3.365 1.00 0.00 H new ATOM 0 HB2 LYS A 39 10.869 -13.764 -3.757 1.00 0.00 H new ATOM 0 HB3 LYS A 39 10.366 -13.627 -2.084 1.00 0.00 H new ATOM 0 HG2 LYS A 39 12.562 -12.815 -2.054 1.00 0.00 H new ATOM 0 HG3 LYS A 39 12.738 -14.461 -1.478 1.00 0.00 H new ATOM 0 HD2 LYS A 39 14.462 -14.199 -3.086 1.00 0.00 H new ATOM 0 HD3 LYS A 39 13.226 -15.131 -3.908 1.00 0.00 H new ATOM 0 HE2 LYS A 39 12.572 -13.344 -5.266 1.00 0.00 H new ATOM 0 HE3 LYS A 39 13.111 -12.132 -4.122 1.00 0.00 H new ATOM 0 HZ1 LYS A 39 14.564 -12.233 -6.042 1.00 0.00 H new ATOM 0 HZ2 LYS A 39 15.413 -12.699 -4.647 1.00 0.00 H new ATOM 0 HZ3 LYS A 39 14.890 -13.874 -5.756 1.00 0.00 H new ATOM 597 N ASP A 40 12.008 -16.577 -0.921 1.00 0.00 N ATOM 598 CA ASP A 40 12.242 -17.109 0.416 1.00 0.00 C ATOM 599 C ASP A 40 11.182 -18.143 0.783 1.00 0.00 C ATOM 600 O ASP A 40 10.539 -18.045 1.829 1.00 0.00 O ATOM 601 CB ASP A 40 12.247 -15.978 1.445 1.00 0.00 C ATOM 602 CG ASP A 40 13.408 -15.023 1.250 1.00 0.00 C ATOM 603 OD1 ASP A 40 14.529 -15.500 0.975 1.00 0.00 O ATOM 604 OD2 ASP A 40 13.196 -13.798 1.373 1.00 0.00 O ATOM 0 H ASP A 40 12.840 -16.535 -1.510 1.00 0.00 H new ATOM 0 HA ASP A 40 13.217 -17.597 0.420 1.00 0.00 H new ATOM 0 HB2 ASP A 40 11.310 -15.425 1.377 1.00 0.00 H new ATOM 0 HB3 ASP A 40 12.294 -16.403 2.448 1.00 0.00 H new ATOM 609 N LYS A 41 11.003 -19.133 -0.085 1.00 0.00 N ATOM 610 CA LYS A 41 10.021 -20.186 0.147 1.00 0.00 C ATOM 611 C LYS A 41 8.678 -19.595 0.563 1.00 0.00 C ATOM 612 O LYS A 41 7.885 -20.246 1.243 1.00 0.00 O ATOM 613 CB LYS A 41 10.522 -21.150 1.225 1.00 0.00 C ATOM 614 CG LYS A 41 11.892 -21.735 0.929 1.00 0.00 C ATOM 615 CD LYS A 41 11.790 -23.010 0.110 1.00 0.00 C ATOM 616 CE LYS A 41 13.076 -23.288 -0.652 1.00 0.00 C ATOM 617 NZ LYS A 41 13.408 -22.188 -1.600 1.00 0.00 N ATOM 0 H LYS A 41 11.525 -19.228 -0.956 1.00 0.00 H new ATOM 0 HA LYS A 41 9.884 -20.733 -0.786 1.00 0.00 H new ATOM 0 HB2 LYS A 41 10.559 -20.626 2.180 1.00 0.00 H new ATOM 0 HB3 LYS A 41 9.805 -21.963 1.335 1.00 0.00 H new ATOM 0 HG2 LYS A 41 12.492 -21.002 0.390 1.00 0.00 H new ATOM 0 HG3 LYS A 41 12.409 -21.944 1.865 1.00 0.00 H new ATOM 0 HD2 LYS A 41 11.567 -23.850 0.768 1.00 0.00 H new ATOM 0 HD3 LYS A 41 10.961 -22.927 -0.592 1.00 0.00 H new ATOM 0 HE2 LYS A 41 13.896 -23.418 0.054 1.00 0.00 H new ATOM 0 HE3 LYS A 41 12.977 -24.224 -1.202 1.00 0.00 H new ATOM 0 HZ1 LYS A 41 13.956 -22.570 -2.397 1.00 0.00 H new ATOM 0 HZ2 LYS A 41 12.530 -21.760 -1.957 1.00 0.00 H new ATOM 0 HZ3 LYS A 41 13.971 -21.464 -1.109 1.00 0.00 H new ATOM 631 N LYS A 42 8.427 -18.358 0.148 1.00 0.00 N ATOM 632 CA LYS A 42 7.179 -17.679 0.475 1.00 0.00 C ATOM 633 C LYS A 42 6.627 -16.941 -0.740 1.00 0.00 C ATOM 634 O LYS A 42 7.377 -16.322 -1.495 1.00 0.00 O ATOM 635 CB LYS A 42 7.395 -16.696 1.628 1.00 0.00 C ATOM 636 CG LYS A 42 7.620 -17.371 2.969 1.00 0.00 C ATOM 637 CD LYS A 42 7.869 -16.355 4.071 1.00 0.00 C ATOM 638 CE LYS A 42 6.916 -15.174 3.965 1.00 0.00 C ATOM 639 NZ LYS A 42 6.777 -14.455 5.262 1.00 0.00 N ATOM 0 H LYS A 42 9.072 -17.805 -0.416 1.00 0.00 H new ATOM 0 HA LYS A 42 6.454 -18.433 0.781 1.00 0.00 H new ATOM 0 HB2 LYS A 42 8.254 -16.065 1.400 1.00 0.00 H new ATOM 0 HB3 LYS A 42 6.528 -16.040 1.702 1.00 0.00 H new ATOM 0 HG2 LYS A 42 6.751 -17.978 3.222 1.00 0.00 H new ATOM 0 HG3 LYS A 42 8.471 -18.048 2.898 1.00 0.00 H new ATOM 0 HD2 LYS A 42 7.750 -16.834 5.043 1.00 0.00 H new ATOM 0 HD3 LYS A 42 8.898 -16.000 4.015 1.00 0.00 H new ATOM 0 HE2 LYS A 42 7.278 -14.483 3.204 1.00 0.00 H new ATOM 0 HE3 LYS A 42 5.937 -15.525 3.638 1.00 0.00 H new ATOM 0 HZ1 LYS A 42 6.120 -13.657 5.148 1.00 0.00 H new ATOM 0 HZ2 LYS A 42 6.408 -15.108 5.983 1.00 0.00 H new ATOM 0 HZ3 LYS A 42 7.706 -14.097 5.562 1.00 0.00 H new ATOM 653 N ILE A 43 5.312 -17.010 -0.922 1.00 0.00 N ATOM 654 CA ILE A 43 4.661 -16.345 -2.044 1.00 0.00 C ATOM 655 C ILE A 43 3.922 -15.092 -1.587 1.00 0.00 C ATOM 656 O ILE A 43 2.959 -15.170 -0.823 1.00 0.00 O ATOM 657 CB ILE A 43 3.667 -17.284 -2.754 1.00 0.00 C ATOM 658 CG1 ILE A 43 4.394 -18.519 -3.291 1.00 0.00 C ATOM 659 CG2 ILE A 43 2.957 -16.548 -3.881 1.00 0.00 C ATOM 660 CD1 ILE A 43 3.507 -19.433 -4.107 1.00 0.00 C ATOM 0 H ILE A 43 4.677 -17.519 -0.307 1.00 0.00 H new ATOM 0 HA ILE A 43 5.447 -16.064 -2.745 1.00 0.00 H new ATOM 0 HB ILE A 43 2.919 -17.611 -2.032 1.00 0.00 H new ATOM 0 HG12 ILE A 43 5.235 -18.197 -3.906 1.00 0.00 H new ATOM 0 HG13 ILE A 43 4.808 -19.080 -2.453 1.00 0.00 H new ATOM 0 HG21 ILE A 43 2.258 -17.224 -4.373 1.00 0.00 H new ATOM 0 HG22 ILE A 43 2.412 -15.697 -3.473 1.00 0.00 H new ATOM 0 HG23 ILE A 43 3.692 -16.195 -4.605 1.00 0.00 H new ATOM 0 HD11 ILE A 43 4.087 -20.287 -4.456 1.00 0.00 H new ATOM 0 HD12 ILE A 43 2.680 -19.784 -3.490 1.00 0.00 H new ATOM 0 HD13 ILE A 43 3.113 -18.887 -4.965 1.00 0.00 H new ATOM 672 N PHE A 44 4.377 -13.937 -2.061 1.00 0.00 N ATOM 673 CA PHE A 44 3.759 -12.667 -1.702 1.00 0.00 C ATOM 674 C PHE A 44 2.719 -12.255 -2.740 1.00 0.00 C ATOM 675 O PHE A 44 3.061 -11.764 -3.815 1.00 0.00 O ATOM 676 CB PHE A 44 4.824 -11.576 -1.570 1.00 0.00 C ATOM 677 CG PHE A 44 5.862 -11.875 -0.527 1.00 0.00 C ATOM 678 CD1 PHE A 44 6.950 -12.679 -0.825 1.00 0.00 C ATOM 679 CD2 PHE A 44 5.750 -11.352 0.751 1.00 0.00 C ATOM 680 CE1 PHE A 44 7.907 -12.957 0.134 1.00 0.00 C ATOM 681 CE2 PHE A 44 6.704 -11.625 1.713 1.00 0.00 C ATOM 682 CZ PHE A 44 7.784 -12.428 1.404 1.00 0.00 C ATOM 0 H PHE A 44 5.172 -13.855 -2.695 1.00 0.00 H new ATOM 0 HA PHE A 44 3.258 -12.794 -0.742 1.00 0.00 H new ATOM 0 HB2 PHE A 44 5.316 -11.442 -2.533 1.00 0.00 H new ATOM 0 HB3 PHE A 44 4.337 -10.632 -1.326 1.00 0.00 H new ATOM 0 HD1 PHE A 44 7.052 -13.093 -1.817 1.00 0.00 H new ATOM 0 HD2 PHE A 44 4.907 -10.724 0.998 1.00 0.00 H new ATOM 0 HE1 PHE A 44 8.750 -13.587 -0.110 1.00 0.00 H new ATOM 0 HE2 PHE A 44 6.605 -11.211 2.705 1.00 0.00 H new ATOM 0 HZ PHE A 44 8.531 -12.642 2.154 1.00 0.00 H new ATOM 692 N ASN A 45 1.448 -12.460 -2.410 1.00 0.00 N ATOM 693 CA ASN A 45 0.358 -12.112 -3.314 1.00 0.00 C ATOM 694 C ASN A 45 -0.115 -10.682 -3.071 1.00 0.00 C ATOM 695 O ASN A 45 0.056 -10.137 -1.980 1.00 0.00 O ATOM 696 CB ASN A 45 -0.810 -13.084 -3.136 1.00 0.00 C ATOM 697 CG ASN A 45 -0.634 -14.354 -3.946 1.00 0.00 C ATOM 698 OD1 ASN A 45 0.043 -15.338 -3.363 1.00 0.00 O flip ATOM 699 ND2 ASN A 45 -1.101 -14.450 -5.080 1.00 0.00 N flip ATOM 0 H ASN A 45 1.148 -12.865 -1.523 1.00 0.00 H new ATOM 0 HA ASN A 45 0.730 -12.184 -4.336 1.00 0.00 H new ATOM 0 HB2 ASN A 45 -0.909 -13.340 -2.081 1.00 0.00 H new ATOM 0 HB3 ASN A 45 -1.737 -12.593 -3.433 1.00 0.00 H new ATOM 0 HD21 ASN A 45 -1.614 -13.669 -5.488 1.00 0.00 H new ATOM 0 HD22 ASN A 45 -0.975 -15.311 -5.612 1.00 0.00 H new ATOM 706 N HIS A 46 -0.711 -10.079 -4.095 1.00 0.00 N ATOM 707 CA HIS A 46 -1.210 -8.712 -3.993 1.00 0.00 C ATOM 708 C HIS A 46 -0.085 -7.750 -3.621 1.00 0.00 C ATOM 709 O HIS A 46 -0.325 -6.702 -3.020 1.00 0.00 O ATOM 710 CB HIS A 46 -2.329 -8.632 -2.954 1.00 0.00 C ATOM 711 CG HIS A 46 -3.433 -9.617 -3.187 1.00 0.00 C ATOM 712 ND1 HIS A 46 -4.089 -9.742 -4.394 1.00 0.00 N ATOM 713 CD2 HIS A 46 -3.996 -10.529 -2.359 1.00 0.00 C ATOM 714 CE1 HIS A 46 -5.008 -10.686 -4.298 1.00 0.00 C ATOM 715 NE2 HIS A 46 -4.971 -11.180 -3.073 1.00 0.00 N ATOM 0 H HIS A 46 -0.860 -10.515 -5.005 1.00 0.00 H new ATOM 0 HA HIS A 46 -1.606 -8.422 -4.966 1.00 0.00 H new ATOM 0 HB2 HIS A 46 -1.907 -8.800 -1.963 1.00 0.00 H new ATOM 0 HB3 HIS A 46 -2.745 -7.625 -2.957 1.00 0.00 H new ATOM 0 HD2 HIS A 46 -3.728 -10.710 -1.329 1.00 0.00 H new ATOM 0 HE1 HIS A 46 -5.676 -11.000 -5.086 1.00 0.00 H new ATOM 0 HE2 HIS A 46 -5.570 -11.924 -2.716 1.00 0.00 H new ATOM 724 N CYS A 47 1.141 -8.113 -3.981 1.00 0.00 N ATOM 725 CA CYS A 47 2.302 -7.282 -3.684 1.00 0.00 C ATOM 726 C CYS A 47 3.024 -6.880 -4.966 1.00 0.00 C ATOM 727 O CYS A 47 2.998 -7.605 -5.960 1.00 0.00 O ATOM 728 CB CYS A 47 3.263 -8.026 -2.756 1.00 0.00 C ATOM 729 SG CYS A 47 4.353 -6.944 -1.802 1.00 0.00 S ATOM 0 H CYS A 47 1.357 -8.977 -4.479 1.00 0.00 H new ATOM 0 HA CYS A 47 1.953 -6.378 -3.185 1.00 0.00 H new ATOM 0 HB2 CYS A 47 2.683 -8.640 -2.066 1.00 0.00 H new ATOM 0 HB3 CYS A 47 3.873 -8.705 -3.351 1.00 0.00 H new ATOM 0 HG CYS A 47 4.375 -5.763 -2.345 1.00 0.00 H new ATOM 735 N PHE A 48 3.668 -5.717 -4.936 1.00 0.00 N ATOM 736 CA PHE A 48 4.395 -5.216 -6.096 1.00 0.00 C ATOM 737 C PHE A 48 5.882 -5.069 -5.784 1.00 0.00 C ATOM 738 O PHE A 48 6.342 -5.444 -4.705 1.00 0.00 O ATOM 739 CB PHE A 48 3.821 -3.869 -6.542 1.00 0.00 C ATOM 740 CG PHE A 48 3.404 -2.988 -5.400 1.00 0.00 C ATOM 741 CD1 PHE A 48 2.137 -3.096 -4.850 1.00 0.00 C ATOM 742 CD2 PHE A 48 4.279 -2.050 -4.876 1.00 0.00 C ATOM 743 CE1 PHE A 48 1.750 -2.287 -3.798 1.00 0.00 C ATOM 744 CE2 PHE A 48 3.898 -1.238 -3.825 1.00 0.00 C ATOM 745 CZ PHE A 48 2.632 -1.355 -3.286 1.00 0.00 C ATOM 0 H PHE A 48 3.701 -5.105 -4.121 1.00 0.00 H new ATOM 0 HA PHE A 48 4.280 -5.938 -6.905 1.00 0.00 H new ATOM 0 HB2 PHE A 48 4.567 -3.346 -7.141 1.00 0.00 H new ATOM 0 HB3 PHE A 48 2.960 -4.045 -7.187 1.00 0.00 H new ATOM 0 HD1 PHE A 48 1.443 -3.821 -5.248 1.00 0.00 H new ATOM 0 HD2 PHE A 48 5.270 -1.952 -5.294 1.00 0.00 H new ATOM 0 HE1 PHE A 48 0.760 -2.383 -3.377 1.00 0.00 H new ATOM 0 HE2 PHE A 48 4.590 -0.512 -3.425 1.00 0.00 H new ATOM 0 HZ PHE A 48 2.332 -0.719 -2.466 1.00 0.00 H new ATOM 755 N THR A 49 6.629 -4.521 -6.737 1.00 0.00 N ATOM 756 CA THR A 49 8.063 -4.326 -6.567 1.00 0.00 C ATOM 757 C THR A 49 8.403 -2.847 -6.420 1.00 0.00 C ATOM 758 O THR A 49 7.601 -1.979 -6.761 1.00 0.00 O ATOM 759 CB THR A 49 8.854 -4.908 -7.754 1.00 0.00 C ATOM 760 OG1 THR A 49 8.527 -4.200 -8.955 1.00 0.00 O ATOM 761 CG2 THR A 49 8.552 -6.388 -7.932 1.00 0.00 C ATOM 0 H THR A 49 6.264 -4.204 -7.635 1.00 0.00 H new ATOM 0 HA THR A 49 8.348 -4.854 -5.657 1.00 0.00 H new ATOM 0 HB THR A 49 9.918 -4.794 -7.544 1.00 0.00 H new ATOM 0 HG1 THR A 49 9.035 -4.575 -9.704 1.00 0.00 H new ATOM 0 HG21 THR A 49 9.122 -6.777 -8.776 1.00 0.00 H new ATOM 0 HG22 THR A 49 8.830 -6.928 -7.027 1.00 0.00 H new ATOM 0 HG23 THR A 49 7.487 -6.522 -8.121 1.00 0.00 H new ATOM 769 N GLY A 50 9.599 -2.567 -5.910 1.00 0.00 N ATOM 770 CA GLY A 50 10.024 -1.192 -5.728 1.00 0.00 C ATOM 771 C GLY A 50 9.890 -0.371 -6.995 1.00 0.00 C ATOM 772 O GLY A 50 9.243 0.676 -6.998 1.00 0.00 O ATOM 0 H GLY A 50 10.281 -3.268 -5.620 1.00 0.00 H new ATOM 0 HA2 GLY A 50 9.431 -0.733 -4.937 1.00 0.00 H new ATOM 0 HA3 GLY A 50 11.062 -1.177 -5.397 1.00 0.00 H new ATOM 776 N ASN A 51 10.503 -0.845 -8.074 1.00 0.00 N ATOM 777 CA ASN A 51 10.451 -0.146 -9.353 1.00 0.00 C ATOM 778 C ASN A 51 9.016 0.233 -9.707 1.00 0.00 C ATOM 779 O ASN A 51 8.750 1.351 -10.149 1.00 0.00 O ATOM 780 CB ASN A 51 11.048 -1.018 -10.459 1.00 0.00 C ATOM 781 CG ASN A 51 10.700 -0.512 -11.845 1.00 0.00 C ATOM 782 OD1 ASN A 51 9.545 -0.573 -12.269 1.00 0.00 O ATOM 783 ND2 ASN A 51 11.700 -0.009 -12.560 1.00 0.00 N ATOM 0 H ASN A 51 11.042 -1.711 -8.089 1.00 0.00 H new ATOM 0 HA ASN A 51 11.038 0.768 -9.264 1.00 0.00 H new ATOM 0 HB2 ASN A 51 12.132 -1.049 -10.348 1.00 0.00 H new ATOM 0 HB3 ASN A 51 10.687 -2.040 -10.347 1.00 0.00 H new ATOM 0 HD21 ASN A 51 11.526 0.346 -13.500 1.00 0.00 H new ATOM 0 HD22 ASN A 51 12.642 0.022 -12.169 1.00 0.00 H new ATOM 790 N CYS A 52 8.097 -0.705 -9.509 1.00 0.00 N ATOM 791 CA CYS A 52 6.688 -0.469 -9.808 1.00 0.00 C ATOM 792 C CYS A 52 6.225 0.863 -9.228 1.00 0.00 C ATOM 793 O CYS A 52 5.704 1.717 -9.945 1.00 0.00 O ATOM 794 CB CYS A 52 5.831 -1.607 -9.252 1.00 0.00 C ATOM 795 SG CYS A 52 4.302 -1.897 -10.174 1.00 0.00 S ATOM 0 H CYS A 52 8.301 -1.635 -9.143 1.00 0.00 H new ATOM 0 HA CYS A 52 6.572 -0.432 -10.891 1.00 0.00 H new ATOM 0 HB2 CYS A 52 6.421 -2.524 -9.249 1.00 0.00 H new ATOM 0 HB3 CYS A 52 5.581 -1.386 -8.214 1.00 0.00 H new ATOM 0 HG CYS A 52 3.753 -3.003 -9.767 1.00 0.00 H new ATOM 801 N VAL A 53 6.417 1.033 -7.924 1.00 0.00 N ATOM 802 CA VAL A 53 6.018 2.262 -7.246 1.00 0.00 C ATOM 803 C VAL A 53 6.638 3.484 -7.915 1.00 0.00 C ATOM 804 O VAL A 53 5.957 4.479 -8.163 1.00 0.00 O ATOM 805 CB VAL A 53 6.425 2.241 -5.761 1.00 0.00 C ATOM 806 CG1 VAL A 53 6.073 3.561 -5.092 1.00 0.00 C ATOM 807 CG2 VAL A 53 5.761 1.076 -5.043 1.00 0.00 C ATOM 0 H VAL A 53 6.846 0.336 -7.316 1.00 0.00 H new ATOM 0 HA VAL A 53 4.932 2.325 -7.316 1.00 0.00 H new ATOM 0 HB VAL A 53 7.505 2.107 -5.700 1.00 0.00 H new ATOM 0 HG11 VAL A 53 6.368 3.527 -4.043 1.00 0.00 H new ATOM 0 HG12 VAL A 53 6.600 4.374 -5.591 1.00 0.00 H new ATOM 0 HG13 VAL A 53 4.998 3.729 -5.161 1.00 0.00 H new ATOM 0 HG21 VAL A 53 6.060 1.077 -3.995 1.00 0.00 H new ATOM 0 HG22 VAL A 53 4.678 1.176 -5.112 1.00 0.00 H new ATOM 0 HG23 VAL A 53 6.069 0.139 -5.507 1.00 0.00 H new ATOM 817 N ILE A 54 7.932 3.401 -8.204 1.00 0.00 N ATOM 818 CA ILE A 54 8.643 4.500 -8.845 1.00 0.00 C ATOM 819 C ILE A 54 8.083 4.779 -10.236 1.00 0.00 C ATOM 820 O ILE A 54 7.478 5.825 -10.474 1.00 0.00 O ATOM 821 CB ILE A 54 10.150 4.205 -8.960 1.00 0.00 C ATOM 822 CG1 ILE A 54 10.696 3.698 -7.624 1.00 0.00 C ATOM 823 CG2 ILE A 54 10.901 5.450 -9.408 1.00 0.00 C ATOM 824 CD1 ILE A 54 10.476 4.660 -6.477 1.00 0.00 C ATOM 0 H ILE A 54 8.509 2.584 -8.004 1.00 0.00 H new ATOM 0 HA ILE A 54 8.501 5.378 -8.215 1.00 0.00 H new ATOM 0 HB ILE A 54 10.297 3.427 -9.709 1.00 0.00 H new ATOM 0 HG12 ILE A 54 10.222 2.746 -7.385 1.00 0.00 H new ATOM 0 HG13 ILE A 54 11.764 3.506 -7.727 1.00 0.00 H new ATOM 0 HG21 ILE A 54 11.965 5.225 -9.485 1.00 0.00 H new ATOM 0 HG22 ILE A 54 10.527 5.770 -10.380 1.00 0.00 H new ATOM 0 HG23 ILE A 54 10.750 6.247 -8.680 1.00 0.00 H new ATOM 0 HD11 ILE A 54 10.888 4.235 -5.562 1.00 0.00 H new ATOM 0 HD12 ILE A 54 10.973 5.605 -6.694 1.00 0.00 H new ATOM 0 HD13 ILE A 54 9.408 4.833 -6.347 1.00 0.00 H new ATOM 836 N ASP A 55 8.287 3.838 -11.150 1.00 0.00 N ATOM 837 CA ASP A 55 7.801 3.981 -12.517 1.00 0.00 C ATOM 838 C ASP A 55 6.340 4.420 -12.531 1.00 0.00 C ATOM 839 O ASP A 55 5.951 5.292 -13.308 1.00 0.00 O ATOM 840 CB ASP A 55 7.956 2.662 -13.277 1.00 0.00 C ATOM 841 CG ASP A 55 8.004 2.862 -14.779 1.00 0.00 C ATOM 842 OD1 ASP A 55 7.104 3.542 -15.316 1.00 0.00 O ATOM 843 OD2 ASP A 55 8.942 2.340 -15.417 1.00 0.00 O ATOM 0 H ASP A 55 8.786 2.967 -10.969 1.00 0.00 H new ATOM 0 HA ASP A 55 8.398 4.748 -13.010 1.00 0.00 H new ATOM 0 HB2 ASP A 55 8.868 2.163 -12.950 1.00 0.00 H new ATOM 0 HB3 ASP A 55 7.125 2.002 -13.028 1.00 0.00 H new ATOM 848 N TRP A 56 5.536 3.810 -11.667 1.00 0.00 N ATOM 849 CA TRP A 56 4.117 4.138 -11.581 1.00 0.00 C ATOM 850 C TRP A 56 3.915 5.641 -11.417 1.00 0.00 C ATOM 851 O TRP A 56 2.994 6.220 -11.994 1.00 0.00 O ATOM 852 CB TRP A 56 3.471 3.393 -10.412 1.00 0.00 C ATOM 853 CG TRP A 56 1.990 3.605 -10.319 1.00 0.00 C ATOM 854 CD1 TRP A 56 1.012 2.752 -10.745 1.00 0.00 C ATOM 855 CD2 TRP A 56 1.320 4.743 -9.767 1.00 0.00 C ATOM 856 NE1 TRP A 56 -0.226 3.292 -10.491 1.00 0.00 N ATOM 857 CE2 TRP A 56 -0.064 4.512 -9.891 1.00 0.00 C ATOM 858 CE3 TRP A 56 1.754 5.934 -9.178 1.00 0.00 C ATOM 859 CZ2 TRP A 56 -1.014 5.429 -9.448 1.00 0.00 C ATOM 860 CZ3 TRP A 56 0.810 6.843 -8.740 1.00 0.00 C ATOM 861 CH2 TRP A 56 -0.561 6.587 -8.876 1.00 0.00 C ATOM 0 H TRP A 56 5.842 3.086 -11.017 1.00 0.00 H new ATOM 0 HA TRP A 56 3.640 3.826 -12.510 1.00 0.00 H new ATOM 0 HB2 TRP A 56 3.673 2.327 -10.514 1.00 0.00 H new ATOM 0 HB3 TRP A 56 3.937 3.718 -9.482 1.00 0.00 H new ATOM 0 HD1 TRP A 56 1.186 1.794 -11.213 1.00 0.00 H new ATOM 0 HE1 TRP A 56 -1.120 2.855 -10.713 1.00 0.00 H new ATOM 0 HE3 TRP A 56 2.808 6.140 -9.067 1.00 0.00 H new ATOM 0 HZ2 TRP A 56 -2.071 5.233 -9.552 1.00 0.00 H new ATOM 0 HZ3 TRP A 56 1.135 7.767 -8.285 1.00 0.00 H new ATOM 0 HH2 TRP A 56 -1.274 7.317 -8.523 1.00 0.00 H new ATOM 872 N LEU A 57 4.780 6.267 -10.627 1.00 0.00 N ATOM 873 CA LEU A 57 4.696 7.703 -10.387 1.00 0.00 C ATOM 874 C LEU A 57 5.033 8.487 -11.652 1.00 0.00 C ATOM 875 O LEU A 57 4.320 9.418 -12.027 1.00 0.00 O ATOM 876 CB LEU A 57 5.643 8.108 -9.256 1.00 0.00 C ATOM 877 CG LEU A 57 5.258 7.628 -7.856 1.00 0.00 C ATOM 878 CD1 LEU A 57 6.495 7.489 -6.981 1.00 0.00 C ATOM 879 CD2 LEU A 57 4.259 8.584 -7.220 1.00 0.00 C ATOM 0 H LEU A 57 5.548 5.803 -10.142 1.00 0.00 H new ATOM 0 HA LEU A 57 3.672 7.938 -10.097 1.00 0.00 H new ATOM 0 HB2 LEU A 57 6.638 7.728 -9.488 1.00 0.00 H new ATOM 0 HB3 LEU A 57 5.713 9.196 -9.239 1.00 0.00 H new ATOM 0 HG LEU A 57 4.788 6.649 -7.945 1.00 0.00 H new ATOM 0 HD11 LEU A 57 6.202 7.147 -5.989 1.00 0.00 H new ATOM 0 HD12 LEU A 57 7.177 6.766 -7.428 1.00 0.00 H new ATOM 0 HD13 LEU A 57 6.993 8.455 -6.899 1.00 0.00 H new ATOM 0 HD21 LEU A 57 3.996 8.227 -6.224 1.00 0.00 H new ATOM 0 HD22 LEU A 57 4.703 9.577 -7.144 1.00 0.00 H new ATOM 0 HD23 LEU A 57 3.361 8.635 -7.836 1.00 0.00 H new ATOM 891 N VAL A 58 6.124 8.103 -12.307 1.00 0.00 N ATOM 892 CA VAL A 58 6.554 8.767 -13.532 1.00 0.00 C ATOM 893 C VAL A 58 5.498 8.643 -14.624 1.00 0.00 C ATOM 894 O VAL A 58 5.091 9.637 -15.224 1.00 0.00 O ATOM 895 CB VAL A 58 7.883 8.185 -14.049 1.00 0.00 C ATOM 896 CG1 VAL A 58 8.374 8.967 -15.258 1.00 0.00 C ATOM 897 CG2 VAL A 58 8.929 8.182 -12.945 1.00 0.00 C ATOM 0 H VAL A 58 6.726 7.335 -12.010 1.00 0.00 H new ATOM 0 HA VAL A 58 6.698 9.820 -13.288 1.00 0.00 H new ATOM 0 HB VAL A 58 7.712 7.154 -14.358 1.00 0.00 H new ATOM 0 HG11 VAL A 58 9.314 8.541 -15.609 1.00 0.00 H new ATOM 0 HG12 VAL A 58 7.631 8.912 -16.053 1.00 0.00 H new ATOM 0 HG13 VAL A 58 8.530 10.009 -14.979 1.00 0.00 H new ATOM 0 HG21 VAL A 58 9.861 7.767 -13.328 1.00 0.00 H new ATOM 0 HG22 VAL A 58 9.099 9.203 -12.602 1.00 0.00 H new ATOM 0 HG23 VAL A 58 8.577 7.574 -12.112 1.00 0.00 H new ATOM 907 N SER A 59 5.057 7.415 -14.877 1.00 0.00 N ATOM 908 CA SER A 59 4.050 7.159 -15.900 1.00 0.00 C ATOM 909 C SER A 59 2.785 7.968 -15.630 1.00 0.00 C ATOM 910 O SER A 59 2.125 8.436 -16.557 1.00 0.00 O ATOM 911 CB SER A 59 3.713 5.668 -15.953 1.00 0.00 C ATOM 912 OG SER A 59 3.081 5.331 -17.176 1.00 0.00 O ATOM 0 H SER A 59 5.382 6.581 -14.387 1.00 0.00 H new ATOM 0 HA SER A 59 4.459 7.466 -16.863 1.00 0.00 H new ATOM 0 HB2 SER A 59 4.625 5.082 -15.837 1.00 0.00 H new ATOM 0 HB3 SER A 59 3.060 5.410 -15.119 1.00 0.00 H new ATOM 0 HG SER A 59 2.877 4.372 -17.186 1.00 0.00 H new ATOM 918 N ASN A 60 2.453 8.129 -14.353 1.00 0.00 N ATOM 919 CA ASN A 60 1.267 8.880 -13.960 1.00 0.00 C ATOM 920 C ASN A 60 1.542 10.381 -13.980 1.00 0.00 C ATOM 921 O ASN A 60 0.709 11.180 -13.554 1.00 0.00 O ATOM 922 CB ASN A 60 0.807 8.453 -12.564 1.00 0.00 C ATOM 923 CG ASN A 60 0.012 7.162 -12.588 1.00 0.00 C ATOM 924 OD1 ASN A 60 -1.167 7.139 -12.232 1.00 0.00 O ATOM 925 ND2 ASN A 60 0.655 6.079 -13.007 1.00 0.00 N ATOM 0 H ASN A 60 2.989 7.749 -13.573 1.00 0.00 H new ATOM 0 HA ASN A 60 0.476 8.664 -14.678 1.00 0.00 H new ATOM 0 HB2 ASN A 60 1.677 8.329 -11.920 1.00 0.00 H new ATOM 0 HB3 ASN A 60 0.197 9.244 -12.127 1.00 0.00 H new ATOM 0 HD21 ASN A 60 0.172 5.181 -13.044 1.00 0.00 H new ATOM 0 HD22 ASN A 60 1.632 6.144 -13.293 1.00 0.00 H new ATOM 932 N GLN A 61 2.717 10.755 -14.478 1.00 0.00 N ATOM 933 CA GLN A 61 3.102 12.159 -14.553 1.00 0.00 C ATOM 934 C GLN A 61 3.155 12.784 -13.163 1.00 0.00 C ATOM 935 O GLN A 61 2.990 13.994 -13.009 1.00 0.00 O ATOM 936 CB GLN A 61 2.120 12.932 -15.435 1.00 0.00 C ATOM 937 CG GLN A 61 1.899 12.299 -16.799 1.00 0.00 C ATOM 938 CD GLN A 61 0.612 12.758 -17.455 1.00 0.00 C ATOM 939 OE1 GLN A 61 -0.483 12.458 -16.978 1.00 0.00 O ATOM 940 NE2 GLN A 61 0.737 13.492 -18.555 1.00 0.00 N ATOM 0 H GLN A 61 3.418 10.105 -14.835 1.00 0.00 H new ATOM 0 HA GLN A 61 4.097 12.214 -14.994 1.00 0.00 H new ATOM 0 HB2 GLN A 61 1.163 13.007 -14.919 1.00 0.00 H new ATOM 0 HB3 GLN A 61 2.489 13.948 -15.571 1.00 0.00 H new ATOM 0 HG2 GLN A 61 2.740 12.542 -17.448 1.00 0.00 H new ATOM 0 HG3 GLN A 61 1.881 11.214 -16.693 1.00 0.00 H new ATOM 0 HE21 GLN A 61 1.664 13.717 -18.915 1.00 0.00 H new ATOM 0 HE22 GLN A 61 -0.094 13.831 -19.039 1.00 0.00 H new ATOM 949 N SER A 62 3.386 11.951 -12.153 1.00 0.00 N ATOM 950 CA SER A 62 3.457 12.422 -10.775 1.00 0.00 C ATOM 951 C SER A 62 4.871 12.879 -10.429 1.00 0.00 C ATOM 952 O SER A 62 5.079 13.615 -9.464 1.00 0.00 O ATOM 953 CB SER A 62 3.017 11.316 -9.813 1.00 0.00 C ATOM 954 OG SER A 62 1.641 11.019 -9.973 1.00 0.00 O ATOM 0 H SER A 62 3.527 10.947 -12.263 1.00 0.00 H new ATOM 0 HA SER A 62 2.784 13.273 -10.673 1.00 0.00 H new ATOM 0 HB2 SER A 62 3.609 10.418 -9.991 1.00 0.00 H new ATOM 0 HB3 SER A 62 3.208 11.626 -8.786 1.00 0.00 H new ATOM 0 HG SER A 62 1.385 10.308 -9.349 1.00 0.00 H new ATOM 960 N VAL A 63 5.840 12.437 -11.224 1.00 0.00 N ATOM 961 CA VAL A 63 7.235 12.801 -11.004 1.00 0.00 C ATOM 962 C VAL A 63 7.948 13.069 -12.325 1.00 0.00 C ATOM 963 O VAL A 63 7.545 12.564 -13.373 1.00 0.00 O ATOM 964 CB VAL A 63 7.990 11.695 -10.242 1.00 0.00 C ATOM 965 CG1 VAL A 63 7.555 11.660 -8.784 1.00 0.00 C ATOM 966 CG2 VAL A 63 7.769 10.345 -10.905 1.00 0.00 C ATOM 0 H VAL A 63 5.685 11.826 -12.026 1.00 0.00 H new ATOM 0 HA VAL A 63 7.234 13.711 -10.404 1.00 0.00 H new ATOM 0 HB VAL A 63 9.056 11.919 -10.274 1.00 0.00 H new ATOM 0 HG11 VAL A 63 8.098 10.873 -8.261 1.00 0.00 H new ATOM 0 HG12 VAL A 63 7.770 12.621 -8.317 1.00 0.00 H new ATOM 0 HG13 VAL A 63 6.485 11.461 -8.728 1.00 0.00 H new ATOM 0 HG21 VAL A 63 8.310 9.576 -10.353 1.00 0.00 H new ATOM 0 HG22 VAL A 63 6.705 10.110 -10.906 1.00 0.00 H new ATOM 0 HG23 VAL A 63 8.134 10.380 -11.931 1.00 0.00 H new ATOM 976 N ARG A 64 9.009 13.867 -12.267 1.00 0.00 N ATOM 977 CA ARG A 64 9.778 14.203 -13.459 1.00 0.00 C ATOM 978 C ARG A 64 10.595 13.006 -13.934 1.00 0.00 C ATOM 979 O ARG A 64 10.745 12.781 -15.134 1.00 0.00 O ATOM 980 CB ARG A 64 10.705 15.387 -13.176 1.00 0.00 C ATOM 981 CG ARG A 64 9.992 16.590 -12.581 1.00 0.00 C ATOM 982 CD ARG A 64 10.842 17.847 -12.680 1.00 0.00 C ATOM 983 NE ARG A 64 10.281 18.950 -11.904 1.00 0.00 N ATOM 984 CZ ARG A 64 10.480 19.105 -10.599 1.00 0.00 C ATOM 985 NH1 ARG A 64 11.221 18.234 -9.930 1.00 0.00 N ATOM 986 NH2 ARG A 64 9.936 20.135 -9.963 1.00 0.00 N ATOM 0 H ARG A 64 9.356 14.293 -11.407 1.00 0.00 H new ATOM 0 HA ARG A 64 9.078 14.479 -14.247 1.00 0.00 H new ATOM 0 HB2 ARG A 64 11.491 15.067 -12.492 1.00 0.00 H new ATOM 0 HB3 ARG A 64 11.192 15.686 -14.104 1.00 0.00 H new ATOM 0 HG2 ARG A 64 9.046 16.747 -13.100 1.00 0.00 H new ATOM 0 HG3 ARG A 64 9.753 16.392 -11.536 1.00 0.00 H new ATOM 0 HD2 ARG A 64 11.850 17.631 -12.327 1.00 0.00 H new ATOM 0 HD3 ARG A 64 10.927 18.145 -13.725 1.00 0.00 H new ATOM 0 HE ARG A 64 9.706 19.638 -12.390 1.00 0.00 H new ATOM 0 HH11 ARG A 64 11.641 17.442 -10.416 1.00 0.00 H new ATOM 0 HH12 ARG A 64 11.372 18.356 -8.929 1.00 0.00 H new ATOM 0 HH21 ARG A 64 9.365 20.807 -10.476 1.00 0.00 H new ATOM 0 HH22 ARG A 64 10.088 20.254 -8.962 1.00 0.00 H new ATOM 1000 N ASN A 65 11.123 12.241 -12.984 1.00 0.00 N ATOM 1001 CA ASN A 65 11.926 11.067 -13.305 1.00 0.00 C ATOM 1002 C ASN A 65 11.845 10.030 -12.189 1.00 0.00 C ATOM 1003 O ASN A 65 11.104 10.201 -11.221 1.00 0.00 O ATOM 1004 CB ASN A 65 13.384 11.469 -13.537 1.00 0.00 C ATOM 1005 CG ASN A 65 13.782 12.691 -12.733 1.00 0.00 C ATOM 1006 OD1 ASN A 65 13.444 13.820 -13.090 1.00 0.00 O ATOM 1007 ND2 ASN A 65 14.504 12.471 -11.641 1.00 0.00 N ATOM 0 H ASN A 65 11.009 12.413 -11.985 1.00 0.00 H new ATOM 0 HA ASN A 65 11.528 10.624 -14.218 1.00 0.00 H new ATOM 0 HB2 ASN A 65 14.034 10.635 -13.272 1.00 0.00 H new ATOM 0 HB3 ASN A 65 13.538 11.669 -14.597 1.00 0.00 H new ATOM 0 HD21 ASN A 65 14.801 13.255 -11.060 1.00 0.00 H new ATOM 0 HD22 ASN A 65 14.761 11.518 -11.383 1.00 0.00 H new ATOM 1014 N ARG A 66 12.611 8.954 -12.332 1.00 0.00 N ATOM 1015 CA ARG A 66 12.626 7.888 -11.337 1.00 0.00 C ATOM 1016 C ARG A 66 12.992 8.435 -9.960 1.00 0.00 C ATOM 1017 O ARG A 66 12.209 8.339 -9.016 1.00 0.00 O ATOM 1018 CB ARG A 66 13.615 6.795 -11.744 1.00 0.00 C ATOM 1019 CG ARG A 66 13.015 5.740 -12.659 1.00 0.00 C ATOM 1020 CD ARG A 66 12.803 6.278 -14.065 1.00 0.00 C ATOM 1021 NE ARG A 66 11.793 5.517 -14.796 1.00 0.00 N ATOM 1022 CZ ARG A 66 11.492 5.731 -16.072 1.00 0.00 C ATOM 1023 NH1 ARG A 66 12.119 6.679 -16.754 1.00 0.00 N ATOM 1024 NH2 ARG A 66 10.561 4.997 -16.667 1.00 0.00 N ATOM 0 H ARG A 66 13.230 8.797 -13.128 1.00 0.00 H new ATOM 0 HA ARG A 66 11.625 7.460 -11.284 1.00 0.00 H new ATOM 0 HB2 ARG A 66 14.467 7.256 -12.244 1.00 0.00 H new ATOM 0 HB3 ARG A 66 13.997 6.310 -10.846 1.00 0.00 H new ATOM 0 HG2 ARG A 66 13.673 4.872 -12.696 1.00 0.00 H new ATOM 0 HG3 ARG A 66 12.063 5.401 -12.250 1.00 0.00 H new ATOM 0 HD2 ARG A 66 12.500 7.324 -14.011 1.00 0.00 H new ATOM 0 HD3 ARG A 66 13.746 6.247 -14.611 1.00 0.00 H new ATOM 0 HE ARG A 66 11.291 4.781 -14.299 1.00 0.00 H new ATOM 0 HH11 ARG A 66 12.834 7.246 -16.299 1.00 0.00 H new ATOM 0 HH12 ARG A 66 11.886 6.841 -17.734 1.00 0.00 H new ATOM 0 HH21 ARG A 66 10.076 4.268 -16.145 1.00 0.00 H new ATOM 0 HH22 ARG A 66 10.330 5.162 -17.647 1.00 0.00 H new ATOM 1038 N GLN A 67 14.188 9.007 -9.856 1.00 0.00 N ATOM 1039 CA GLN A 67 14.658 9.567 -8.594 1.00 0.00 C ATOM 1040 C GLN A 67 13.561 10.383 -7.919 1.00 0.00 C ATOM 1041 O GLN A 67 13.326 10.250 -6.718 1.00 0.00 O ATOM 1042 CB GLN A 67 15.890 10.443 -8.829 1.00 0.00 C ATOM 1043 CG GLN A 67 17.198 9.668 -8.817 1.00 0.00 C ATOM 1044 CD GLN A 67 18.367 10.503 -8.333 1.00 0.00 C ATOM 1045 OE1 GLN A 67 18.926 11.304 -9.083 1.00 0.00 O ATOM 1046 NE2 GLN A 67 18.742 10.322 -7.072 1.00 0.00 N ATOM 0 H GLN A 67 14.848 9.095 -10.629 1.00 0.00 H new ATOM 0 HA GLN A 67 14.928 8.741 -7.936 1.00 0.00 H new ATOM 0 HB2 GLN A 67 15.787 10.951 -9.788 1.00 0.00 H new ATOM 0 HB3 GLN A 67 15.928 11.216 -8.061 1.00 0.00 H new ATOM 0 HG2 GLN A 67 17.091 8.793 -8.176 1.00 0.00 H new ATOM 0 HG3 GLN A 67 17.409 9.303 -9.822 1.00 0.00 H new ATOM 0 HE21 GLN A 67 18.251 9.647 -6.486 1.00 0.00 H new ATOM 0 HE22 GLN A 67 19.521 10.858 -6.690 1.00 0.00 H new ATOM 1055 N GLU A 68 12.893 11.227 -8.698 1.00 0.00 N ATOM 1056 CA GLU A 68 11.821 12.066 -8.173 1.00 0.00 C ATOM 1057 C GLU A 68 10.800 11.228 -7.409 1.00 0.00 C ATOM 1058 O GLU A 68 10.318 11.630 -6.351 1.00 0.00 O ATOM 1059 CB GLU A 68 11.130 12.820 -9.311 1.00 0.00 C ATOM 1060 CG GLU A 68 11.860 14.083 -9.736 1.00 0.00 C ATOM 1061 CD GLU A 68 12.242 14.960 -8.560 1.00 0.00 C ATOM 1062 OE1 GLU A 68 11.406 15.123 -7.647 1.00 0.00 O ATOM 1063 OE2 GLU A 68 13.375 15.485 -8.553 1.00 0.00 O ATOM 0 H GLU A 68 13.074 11.348 -9.694 1.00 0.00 H new ATOM 0 HA GLU A 68 12.262 12.787 -7.485 1.00 0.00 H new ATOM 0 HB2 GLU A 68 11.038 12.157 -10.171 1.00 0.00 H new ATOM 0 HB3 GLU A 68 10.119 13.082 -9.000 1.00 0.00 H new ATOM 0 HG2 GLU A 68 12.759 13.810 -10.288 1.00 0.00 H new ATOM 0 HG3 GLU A 68 11.228 14.651 -10.418 1.00 0.00 H new ATOM 1070 N GLY A 69 10.474 10.060 -7.955 1.00 0.00 N ATOM 1071 CA GLY A 69 9.511 9.184 -7.313 1.00 0.00 C ATOM 1072 C GLY A 69 10.064 8.535 -6.059 1.00 0.00 C ATOM 1073 O GLY A 69 9.309 8.040 -5.222 1.00 0.00 O ATOM 0 H GLY A 69 10.859 9.705 -8.830 1.00 0.00 H new ATOM 0 HA2 GLY A 69 8.618 9.755 -7.059 1.00 0.00 H new ATOM 0 HA3 GLY A 69 9.205 8.409 -8.015 1.00 0.00 H new ATOM 1077 N LEU A 70 11.386 8.535 -5.929 1.00 0.00 N ATOM 1078 CA LEU A 70 12.041 7.940 -4.769 1.00 0.00 C ATOM 1079 C LEU A 70 11.524 8.560 -3.475 1.00 0.00 C ATOM 1080 O LEU A 70 11.179 7.851 -2.530 1.00 0.00 O ATOM 1081 CB LEU A 70 13.557 8.122 -4.865 1.00 0.00 C ATOM 1082 CG LEU A 70 14.406 6.987 -4.292 1.00 0.00 C ATOM 1083 CD1 LEU A 70 13.830 6.503 -2.970 1.00 0.00 C ATOM 1084 CD2 LEU A 70 14.503 5.838 -5.286 1.00 0.00 C ATOM 0 H LEU A 70 12.026 8.940 -6.612 1.00 0.00 H new ATOM 0 HA LEU A 70 11.809 6.875 -4.758 1.00 0.00 H new ATOM 0 HB2 LEU A 70 13.822 8.253 -5.914 1.00 0.00 H new ATOM 0 HB3 LEU A 70 13.825 9.045 -4.351 1.00 0.00 H new ATOM 0 HG LEU A 70 15.411 7.369 -4.109 1.00 0.00 H new ATOM 0 HD11 LEU A 70 14.448 5.695 -2.578 1.00 0.00 H new ATOM 0 HD12 LEU A 70 13.814 7.327 -2.257 1.00 0.00 H new ATOM 0 HD13 LEU A 70 12.814 6.140 -3.127 1.00 0.00 H new ATOM 0 HD21 LEU A 70 15.111 5.039 -4.861 1.00 0.00 H new ATOM 0 HD22 LEU A 70 13.504 5.458 -5.502 1.00 0.00 H new ATOM 0 HD23 LEU A 70 14.963 6.193 -6.208 1.00 0.00 H new ATOM 1096 N MET A 71 11.472 9.888 -3.440 1.00 0.00 N ATOM 1097 CA MET A 71 10.994 10.603 -2.263 1.00 0.00 C ATOM 1098 C MET A 71 9.526 10.287 -1.993 1.00 0.00 C ATOM 1099 O MET A 71 9.167 9.847 -0.901 1.00 0.00 O ATOM 1100 CB MET A 71 11.178 12.111 -2.446 1.00 0.00 C ATOM 1101 CG MET A 71 12.486 12.486 -3.124 1.00 0.00 C ATOM 1102 SD MET A 71 13.903 11.615 -2.428 1.00 0.00 S ATOM 1103 CE MET A 71 14.988 11.542 -3.851 1.00 0.00 C ATOM 0 H MET A 71 11.755 10.490 -4.213 1.00 0.00 H new ATOM 0 HA MET A 71 11.581 10.274 -1.406 1.00 0.00 H new ATOM 0 HB2 MET A 71 10.348 12.501 -3.035 1.00 0.00 H new ATOM 0 HB3 MET A 71 11.132 12.595 -1.471 1.00 0.00 H new ATOM 0 HG2 MET A 71 12.415 12.264 -4.189 1.00 0.00 H new ATOM 0 HG3 MET A 71 12.644 13.561 -3.032 1.00 0.00 H new ATOM 0 HE1 MET A 71 15.736 10.764 -3.698 1.00 0.00 H new ATOM 0 HE2 MET A 71 14.404 11.314 -4.743 1.00 0.00 H new ATOM 0 HE3 MET A 71 15.485 12.504 -3.979 1.00 0.00 H new ATOM 1113 N ILE A 72 8.683 10.514 -2.995 1.00 0.00 N ATOM 1114 CA ILE A 72 7.255 10.252 -2.866 1.00 0.00 C ATOM 1115 C ILE A 72 7.000 8.833 -2.369 1.00 0.00 C ATOM 1116 O ILE A 72 6.145 8.609 -1.512 1.00 0.00 O ATOM 1117 CB ILE A 72 6.522 10.455 -4.204 1.00 0.00 C ATOM 1118 CG1 ILE A 72 6.758 11.872 -4.730 1.00 0.00 C ATOM 1119 CG2 ILE A 72 5.033 10.187 -4.039 1.00 0.00 C ATOM 1120 CD1 ILE A 72 6.048 12.940 -3.928 1.00 0.00 C ATOM 0 H ILE A 72 8.964 10.879 -3.905 1.00 0.00 H new ATOM 0 HA ILE A 72 6.868 10.965 -2.138 1.00 0.00 H new ATOM 0 HB ILE A 72 6.921 9.747 -4.930 1.00 0.00 H new ATOM 0 HG12 ILE A 72 7.828 12.078 -4.727 1.00 0.00 H new ATOM 0 HG13 ILE A 72 6.426 11.926 -5.767 1.00 0.00 H new ATOM 0 HG21 ILE A 72 4.529 10.335 -4.994 1.00 0.00 H new ATOM 0 HG22 ILE A 72 4.883 9.161 -3.704 1.00 0.00 H new ATOM 0 HG23 ILE A 72 4.619 10.873 -3.300 1.00 0.00 H new ATOM 0 HD11 ILE A 72 6.260 13.919 -4.358 1.00 0.00 H new ATOM 0 HD12 ILE A 72 4.973 12.759 -3.951 1.00 0.00 H new ATOM 0 HD13 ILE A 72 6.398 12.913 -2.896 1.00 0.00 H new ATOM 1132 N ALA A 73 7.747 7.878 -2.912 1.00 0.00 N ATOM 1133 CA ALA A 73 7.605 6.481 -2.522 1.00 0.00 C ATOM 1134 C ALA A 73 8.043 6.267 -1.077 1.00 0.00 C ATOM 1135 O ALA A 73 7.435 5.488 -0.342 1.00 0.00 O ATOM 1136 CB ALA A 73 8.407 5.587 -3.456 1.00 0.00 C ATOM 0 H ALA A 73 8.458 8.047 -3.624 1.00 0.00 H new ATOM 0 HA ALA A 73 6.551 6.214 -2.598 1.00 0.00 H new ATOM 0 HB1 ALA A 73 8.291 4.547 -3.152 1.00 0.00 H new ATOM 0 HB2 ALA A 73 8.045 5.709 -4.477 1.00 0.00 H new ATOM 0 HB3 ALA A 73 9.460 5.864 -3.409 1.00 0.00 H new ATOM 1142 N SER A 74 9.102 6.963 -0.675 1.00 0.00 N ATOM 1143 CA SER A 74 9.624 6.846 0.681 1.00 0.00 C ATOM 1144 C SER A 74 8.613 7.365 1.699 1.00 0.00 C ATOM 1145 O SER A 74 8.329 6.707 2.700 1.00 0.00 O ATOM 1146 CB SER A 74 10.939 7.616 0.812 1.00 0.00 C ATOM 1147 OG SER A 74 10.713 9.015 0.810 1.00 0.00 O ATOM 0 H SER A 74 9.615 7.614 -1.270 1.00 0.00 H new ATOM 0 HA SER A 74 9.808 5.791 0.884 1.00 0.00 H new ATOM 0 HB2 SER A 74 11.443 7.327 1.734 1.00 0.00 H new ATOM 0 HB3 SER A 74 11.603 7.351 -0.011 1.00 0.00 H new ATOM 0 HG SER A 74 10.274 9.274 -0.027 1.00 0.00 H new ATOM 1153 N SER A 75 8.074 8.551 1.436 1.00 0.00 N ATOM 1154 CA SER A 75 7.098 9.163 2.330 1.00 0.00 C ATOM 1155 C SER A 75 5.915 8.227 2.564 1.00 0.00 C ATOM 1156 O SER A 75 5.502 8.002 3.703 1.00 0.00 O ATOM 1157 CB SER A 75 6.605 10.490 1.751 1.00 0.00 C ATOM 1158 OG SER A 75 6.586 10.453 0.335 1.00 0.00 O ATOM 0 H SER A 75 8.297 9.108 0.611 1.00 0.00 H new ATOM 0 HA SER A 75 7.586 9.351 3.286 1.00 0.00 H new ATOM 0 HB2 SER A 75 5.604 10.704 2.126 1.00 0.00 H new ATOM 0 HB3 SER A 75 7.252 11.300 2.088 1.00 0.00 H new ATOM 0 HG SER A 75 6.328 9.557 0.035 1.00 0.00 H new ATOM 1164 N LEU A 76 5.374 7.685 1.479 1.00 0.00 N ATOM 1165 CA LEU A 76 4.238 6.773 1.564 1.00 0.00 C ATOM 1166 C LEU A 76 4.461 5.727 2.651 1.00 0.00 C ATOM 1167 O LEU A 76 3.527 5.341 3.356 1.00 0.00 O ATOM 1168 CB LEU A 76 4.009 6.086 0.217 1.00 0.00 C ATOM 1169 CG LEU A 76 3.304 6.921 -0.852 1.00 0.00 C ATOM 1170 CD1 LEU A 76 3.463 6.280 -2.221 1.00 0.00 C ATOM 1171 CD2 LEU A 76 1.832 7.093 -0.509 1.00 0.00 C ATOM 0 H LEU A 76 5.703 7.861 0.530 1.00 0.00 H new ATOM 0 HA LEU A 76 3.353 7.355 1.822 1.00 0.00 H new ATOM 0 HB2 LEU A 76 4.975 5.771 -0.176 1.00 0.00 H new ATOM 0 HB3 LEU A 76 3.424 5.182 0.388 1.00 0.00 H new ATOM 0 HG LEU A 76 3.768 7.907 -0.880 1.00 0.00 H new ATOM 0 HD11 LEU A 76 2.955 6.888 -2.969 1.00 0.00 H new ATOM 0 HD12 LEU A 76 4.522 6.210 -2.469 1.00 0.00 H new ATOM 0 HD13 LEU A 76 3.026 5.281 -2.208 1.00 0.00 H new ATOM 0 HD21 LEU A 76 1.346 7.690 -1.281 1.00 0.00 H new ATOM 0 HD22 LEU A 76 1.355 6.115 -0.453 1.00 0.00 H new ATOM 0 HD23 LEU A 76 1.739 7.598 0.453 1.00 0.00 H new ATOM 1183 N LEU A 77 5.702 5.273 2.783 1.00 0.00 N ATOM 1184 CA LEU A 77 6.048 4.272 3.787 1.00 0.00 C ATOM 1185 C LEU A 77 6.106 4.894 5.178 1.00 0.00 C ATOM 1186 O LEU A 77 5.866 4.220 6.180 1.00 0.00 O ATOM 1187 CB LEU A 77 7.393 3.626 3.448 1.00 0.00 C ATOM 1188 CG LEU A 77 7.338 2.401 2.535 1.00 0.00 C ATOM 1189 CD1 LEU A 77 8.739 1.983 2.118 1.00 0.00 C ATOM 1190 CD2 LEU A 77 6.620 1.251 3.227 1.00 0.00 C ATOM 0 H LEU A 77 6.486 5.582 2.208 1.00 0.00 H new ATOM 0 HA LEU A 77 5.273 3.506 3.784 1.00 0.00 H new ATOM 0 HB2 LEU A 77 8.026 4.378 2.976 1.00 0.00 H new ATOM 0 HB3 LEU A 77 7.880 3.338 4.380 1.00 0.00 H new ATOM 0 HG LEU A 77 6.778 2.665 1.638 1.00 0.00 H new ATOM 0 HD11 LEU A 77 8.680 1.110 1.469 1.00 0.00 H new ATOM 0 HD12 LEU A 77 9.219 2.802 1.582 1.00 0.00 H new ATOM 0 HD13 LEU A 77 9.324 1.737 3.004 1.00 0.00 H new ATOM 0 HD21 LEU A 77 6.590 0.388 2.562 1.00 0.00 H new ATOM 0 HD22 LEU A 77 7.152 0.987 4.141 1.00 0.00 H new ATOM 0 HD23 LEU A 77 5.602 1.554 3.474 1.00 0.00 H new ATOM 1202 N ASN A 78 6.423 6.183 5.232 1.00 0.00 N ATOM 1203 CA ASN A 78 6.510 6.896 6.501 1.00 0.00 C ATOM 1204 C ASN A 78 5.124 7.112 7.101 1.00 0.00 C ATOM 1205 O ASN A 78 4.960 7.126 8.320 1.00 0.00 O ATOM 1206 CB ASN A 78 7.209 8.244 6.306 1.00 0.00 C ATOM 1207 CG ASN A 78 8.713 8.144 6.470 1.00 0.00 C ATOM 1208 OD1 ASN A 78 9.207 7.434 7.347 1.00 0.00 O ATOM 1209 ND2 ASN A 78 9.449 8.857 5.626 1.00 0.00 N ATOM 0 H ASN A 78 6.624 6.755 4.412 1.00 0.00 H new ATOM 0 HA ASN A 78 7.094 6.287 7.191 1.00 0.00 H new ATOM 0 HB2 ASN A 78 6.979 8.629 5.312 1.00 0.00 H new ATOM 0 HB3 ASN A 78 6.815 8.962 7.025 1.00 0.00 H new ATOM 0 HD21 ASN A 78 10.467 8.830 5.689 1.00 0.00 H new ATOM 0 HD22 ASN A 78 8.997 9.431 4.915 1.00 0.00 H new ATOM 1216 N GLU A 79 4.130 7.278 6.234 1.00 0.00 N ATOM 1217 CA GLU A 79 2.758 7.493 6.678 1.00 0.00 C ATOM 1218 C GLU A 79 2.052 6.163 6.927 1.00 0.00 C ATOM 1219 O GLU A 79 1.196 6.057 7.804 1.00 0.00 O ATOM 1220 CB GLU A 79 1.983 8.307 5.639 1.00 0.00 C ATOM 1221 CG GLU A 79 2.561 9.691 5.396 1.00 0.00 C ATOM 1222 CD GLU A 79 1.987 10.736 6.333 1.00 0.00 C ATOM 1223 OE1 GLU A 79 2.208 10.623 7.557 1.00 0.00 O ATOM 1224 OE2 GLU A 79 1.316 11.668 5.842 1.00 0.00 O ATOM 0 H GLU A 79 4.249 7.268 5.221 1.00 0.00 H new ATOM 0 HA GLU A 79 2.790 8.049 7.615 1.00 0.00 H new ATOM 0 HB2 GLU A 79 1.968 7.758 4.697 1.00 0.00 H new ATOM 0 HB3 GLU A 79 0.948 8.407 5.966 1.00 0.00 H new ATOM 0 HG2 GLU A 79 3.644 9.655 5.518 1.00 0.00 H new ATOM 0 HG3 GLU A 79 2.366 9.986 4.365 1.00 0.00 H new ATOM 1231 N GLY A 80 2.418 5.150 6.148 1.00 0.00 N ATOM 1232 CA GLY A 80 1.811 3.841 6.298 1.00 0.00 C ATOM 1233 C GLY A 80 1.136 3.365 5.027 1.00 0.00 C ATOM 1234 O GLY A 80 0.851 2.177 4.874 1.00 0.00 O ATOM 0 H GLY A 80 3.125 5.213 5.415 1.00 0.00 H new ATOM 0 HA2 GLY A 80 2.575 3.121 6.591 1.00 0.00 H new ATOM 0 HA3 GLY A 80 1.078 3.874 7.104 1.00 0.00 H new ATOM 1238 N TYR A 81 0.879 4.294 4.113 1.00 0.00 N ATOM 1239 CA TYR A 81 0.230 3.963 2.849 1.00 0.00 C ATOM 1240 C TYR A 81 0.809 2.682 2.258 1.00 0.00 C ATOM 1241 O TYR A 81 0.100 1.901 1.621 1.00 0.00 O ATOM 1242 CB TYR A 81 0.388 5.114 1.854 1.00 0.00 C ATOM 1243 CG TYR A 81 -0.316 6.383 2.279 1.00 0.00 C ATOM 1244 CD1 TYR A 81 -1.699 6.422 2.414 1.00 0.00 C ATOM 1245 CD2 TYR A 81 0.401 7.543 2.546 1.00 0.00 C ATOM 1246 CE1 TYR A 81 -2.346 7.579 2.802 1.00 0.00 C ATOM 1247 CE2 TYR A 81 -0.239 8.704 2.935 1.00 0.00 C ATOM 1248 CZ TYR A 81 -1.612 8.717 3.061 1.00 0.00 C ATOM 1249 OH TYR A 81 -2.253 9.872 3.448 1.00 0.00 O ATOM 0 H TYR A 81 1.110 5.281 4.223 1.00 0.00 H new ATOM 0 HA TYR A 81 -0.830 3.804 3.045 1.00 0.00 H new ATOM 0 HB2 TYR A 81 1.449 5.324 1.720 1.00 0.00 H new ATOM 0 HB3 TYR A 81 0.001 4.801 0.885 1.00 0.00 H new ATOM 0 HD1 TYR A 81 -2.277 5.533 2.212 1.00 0.00 H new ATOM 0 HD2 TYR A 81 1.477 7.537 2.448 1.00 0.00 H new ATOM 0 HE1 TYR A 81 -3.421 7.592 2.902 1.00 0.00 H new ATOM 0 HE2 TYR A 81 0.333 9.597 3.139 1.00 0.00 H new ATOM 0 HH TYR A 81 -1.592 10.581 3.592 1.00 0.00 H new ATOM 1259 N LEU A 82 2.103 2.471 2.474 1.00 0.00 N ATOM 1260 CA LEU A 82 2.780 1.284 1.964 1.00 0.00 C ATOM 1261 C LEU A 82 3.519 0.555 3.082 1.00 0.00 C ATOM 1262 O LEU A 82 3.940 1.169 4.062 1.00 0.00 O ATOM 1263 CB LEU A 82 3.762 1.669 0.855 1.00 0.00 C ATOM 1264 CG LEU A 82 3.164 2.406 -0.344 1.00 0.00 C ATOM 1265 CD1 LEU A 82 4.266 2.941 -1.245 1.00 0.00 C ATOM 1266 CD2 LEU A 82 2.232 1.490 -1.123 1.00 0.00 C ATOM 0 H LEU A 82 2.704 3.106 2.999 1.00 0.00 H new ATOM 0 HA LEU A 82 2.024 0.613 1.555 1.00 0.00 H new ATOM 0 HB2 LEU A 82 4.542 2.295 1.289 1.00 0.00 H new ATOM 0 HB3 LEU A 82 4.246 0.761 0.494 1.00 0.00 H new ATOM 0 HG LEU A 82 2.583 3.251 0.026 1.00 0.00 H new ATOM 0 HD11 LEU A 82 3.822 3.462 -2.093 1.00 0.00 H new ATOM 0 HD12 LEU A 82 4.893 3.632 -0.682 1.00 0.00 H new ATOM 0 HD13 LEU A 82 4.874 2.112 -1.607 1.00 0.00 H new ATOM 0 HD21 LEU A 82 1.816 2.032 -1.972 1.00 0.00 H new ATOM 0 HD22 LEU A 82 2.789 0.624 -1.482 1.00 0.00 H new ATOM 0 HD23 LEU A 82 1.423 1.157 -0.473 1.00 0.00 H new ATOM 1278 N GLN A 83 3.674 -0.755 2.926 1.00 0.00 N ATOM 1279 CA GLN A 83 4.363 -1.567 3.922 1.00 0.00 C ATOM 1280 C GLN A 83 5.374 -2.498 3.261 1.00 0.00 C ATOM 1281 O GLN A 83 5.122 -3.077 2.204 1.00 0.00 O ATOM 1282 CB GLN A 83 3.355 -2.382 4.734 1.00 0.00 C ATOM 1283 CG GLN A 83 2.252 -1.541 5.355 1.00 0.00 C ATOM 1284 CD GLN A 83 2.622 -1.016 6.729 1.00 0.00 C ATOM 1285 OE1 GLN A 83 3.379 -1.650 7.465 1.00 0.00 O ATOM 1286 NE2 GLN A 83 2.089 0.148 7.082 1.00 0.00 N ATOM 0 H GLN A 83 3.332 -1.277 2.119 1.00 0.00 H new ATOM 0 HA GLN A 83 4.899 -0.896 4.592 1.00 0.00 H new ATOM 0 HB2 GLN A 83 2.905 -3.136 4.088 1.00 0.00 H new ATOM 0 HB3 GLN A 83 3.884 -2.914 5.525 1.00 0.00 H new ATOM 0 HG2 GLN A 83 2.027 -0.701 4.698 1.00 0.00 H new ATOM 0 HG3 GLN A 83 1.344 -2.139 5.431 1.00 0.00 H new ATOM 0 HE21 GLN A 83 1.467 0.639 6.440 1.00 0.00 H new ATOM 0 HE22 GLN A 83 2.302 0.551 7.995 1.00 0.00 H new ATOM 1295 N PRO A 84 6.546 -2.647 3.896 1.00 0.00 N ATOM 1296 CA PRO A 84 7.618 -3.508 3.388 1.00 0.00 C ATOM 1297 C PRO A 84 7.267 -4.988 3.482 1.00 0.00 C ATOM 1298 O PRO A 84 6.579 -5.415 4.409 1.00 0.00 O ATOM 1299 CB PRO A 84 8.801 -3.179 4.303 1.00 0.00 C ATOM 1300 CG PRO A 84 8.179 -2.693 5.566 1.00 0.00 C ATOM 1301 CD PRO A 84 6.914 -1.987 5.160 1.00 0.00 C ATOM 0 HA PRO A 84 7.817 -3.330 2.331 1.00 0.00 H new ATOM 0 HB2 PRO A 84 9.421 -4.058 4.480 1.00 0.00 H new ATOM 0 HB3 PRO A 84 9.444 -2.419 3.860 1.00 0.00 H new ATOM 0 HG2 PRO A 84 7.964 -3.523 6.239 1.00 0.00 H new ATOM 0 HG3 PRO A 84 8.850 -2.017 6.097 1.00 0.00 H new ATOM 0 HD2 PRO A 84 6.133 -2.097 5.913 1.00 0.00 H new ATOM 0 HD3 PRO A 84 7.077 -0.918 5.023 1.00 0.00 H new ATOM 1309 N ALA A 85 7.745 -5.768 2.518 1.00 0.00 N ATOM 1310 CA ALA A 85 7.483 -7.202 2.494 1.00 0.00 C ATOM 1311 C ALA A 85 8.756 -7.987 2.198 1.00 0.00 C ATOM 1312 O ALA A 85 9.090 -8.233 1.040 1.00 0.00 O ATOM 1313 CB ALA A 85 6.410 -7.525 1.465 1.00 0.00 C ATOM 0 H ALA A 85 8.316 -5.431 1.743 1.00 0.00 H new ATOM 0 HA ALA A 85 7.126 -7.498 3.480 1.00 0.00 H new ATOM 0 HB1 ALA A 85 6.224 -8.599 1.458 1.00 0.00 H new ATOM 0 HB2 ALA A 85 5.490 -7.000 1.721 1.00 0.00 H new ATOM 0 HB3 ALA A 85 6.746 -7.208 0.478 1.00 0.00 H new ATOM 1319 N GLY A 86 9.464 -8.378 3.254 1.00 0.00 N ATOM 1320 CA GLY A 86 10.693 -9.131 3.085 1.00 0.00 C ATOM 1321 C GLY A 86 11.901 -8.399 3.635 1.00 0.00 C ATOM 1322 O GLY A 86 11.913 -7.170 3.703 1.00 0.00 O ATOM 0 H GLY A 86 9.208 -8.187 4.223 1.00 0.00 H new ATOM 0 HA2 GLY A 86 10.597 -10.095 3.585 1.00 0.00 H new ATOM 0 HA3 GLY A 86 10.847 -9.336 2.026 1.00 0.00 H new ATOM 1326 N ASP A 87 12.920 -9.155 4.030 1.00 0.00 N ATOM 1327 CA ASP A 87 14.139 -8.570 4.578 1.00 0.00 C ATOM 1328 C ASP A 87 14.620 -7.409 3.714 1.00 0.00 C ATOM 1329 O ASP A 87 15.028 -6.368 4.229 1.00 0.00 O ATOM 1330 CB ASP A 87 15.235 -9.631 4.684 1.00 0.00 C ATOM 1331 CG ASP A 87 16.403 -9.174 5.536 1.00 0.00 C ATOM 1332 OD1 ASP A 87 16.172 -8.784 6.700 1.00 0.00 O ATOM 1333 OD2 ASP A 87 17.548 -9.206 5.038 1.00 0.00 O ATOM 0 H ASP A 87 12.926 -10.174 3.981 1.00 0.00 H new ATOM 0 HA ASP A 87 13.915 -8.189 5.574 1.00 0.00 H new ATOM 0 HB2 ASP A 87 14.814 -10.543 5.108 1.00 0.00 H new ATOM 0 HB3 ASP A 87 15.593 -9.880 3.685 1.00 0.00 H new ATOM 1338 N MET A 88 14.569 -7.594 2.399 1.00 0.00 N ATOM 1339 CA MET A 88 15.000 -6.561 1.465 1.00 0.00 C ATOM 1340 C MET A 88 14.660 -5.172 1.996 1.00 0.00 C ATOM 1341 O MET A 88 15.546 -4.417 2.396 1.00 0.00 O ATOM 1342 CB MET A 88 14.343 -6.773 0.099 1.00 0.00 C ATOM 1343 CG MET A 88 14.977 -5.954 -1.013 1.00 0.00 C ATOM 1344 SD MET A 88 16.518 -6.672 -1.614 1.00 0.00 S ATOM 1345 CE MET A 88 17.002 -5.459 -2.840 1.00 0.00 C ATOM 0 H MET A 88 14.234 -8.450 1.956 1.00 0.00 H new ATOM 0 HA MET A 88 16.082 -6.633 1.355 1.00 0.00 H new ATOM 0 HB2 MET A 88 14.399 -7.830 -0.162 1.00 0.00 H new ATOM 0 HB3 MET A 88 13.286 -6.518 0.170 1.00 0.00 H new ATOM 0 HG2 MET A 88 14.274 -5.868 -1.841 1.00 0.00 H new ATOM 0 HG3 MET A 88 15.168 -4.944 -0.651 1.00 0.00 H new ATOM 0 HE1 MET A 88 17.684 -5.917 -3.556 1.00 0.00 H new ATOM 0 HE2 MET A 88 16.117 -5.097 -3.363 1.00 0.00 H new ATOM 0 HE3 MET A 88 17.500 -4.623 -2.348 1.00 0.00 H new ATOM 1355 N SER A 89 13.373 -4.842 1.996 1.00 0.00 N ATOM 1356 CA SER A 89 12.917 -3.542 2.474 1.00 0.00 C ATOM 1357 C SER A 89 12.907 -3.497 3.999 1.00 0.00 C ATOM 1358 O SER A 89 13.358 -2.525 4.606 1.00 0.00 O ATOM 1359 CB SER A 89 11.518 -3.238 1.934 1.00 0.00 C ATOM 1360 OG SER A 89 10.575 -4.187 2.400 1.00 0.00 O ATOM 0 H SER A 89 12.627 -5.457 1.670 1.00 0.00 H new ATOM 0 HA SER A 89 13.611 -2.785 2.110 1.00 0.00 H new ATOM 0 HB2 SER A 89 11.215 -2.238 2.243 1.00 0.00 H new ATOM 0 HB3 SER A 89 11.536 -3.243 0.844 1.00 0.00 H new ATOM 0 HG SER A 89 10.168 -4.647 1.636 1.00 0.00 H new ATOM 1366 N LYS A 90 12.389 -4.555 4.612 1.00 0.00 N ATOM 1367 CA LYS A 90 12.320 -4.640 6.066 1.00 0.00 C ATOM 1368 C LYS A 90 13.596 -4.100 6.704 1.00 0.00 C ATOM 1369 O LYS A 90 13.584 -3.640 7.846 1.00 0.00 O ATOM 1370 CB LYS A 90 12.092 -6.089 6.503 1.00 0.00 C ATOM 1371 CG LYS A 90 10.625 -6.464 6.624 1.00 0.00 C ATOM 1372 CD LYS A 90 10.439 -7.728 7.446 1.00 0.00 C ATOM 1373 CE LYS A 90 9.001 -8.221 7.393 1.00 0.00 C ATOM 1374 NZ LYS A 90 8.108 -7.425 8.281 1.00 0.00 N ATOM 0 H LYS A 90 12.010 -5.367 4.124 1.00 0.00 H new ATOM 0 HA LYS A 90 11.481 -4.030 6.401 1.00 0.00 H new ATOM 0 HB2 LYS A 90 12.571 -6.756 5.786 1.00 0.00 H new ATOM 0 HB3 LYS A 90 12.580 -6.251 7.464 1.00 0.00 H new ATOM 0 HG2 LYS A 90 10.076 -5.644 7.087 1.00 0.00 H new ATOM 0 HG3 LYS A 90 10.203 -6.610 5.630 1.00 0.00 H new ATOM 0 HD2 LYS A 90 11.105 -8.506 7.074 1.00 0.00 H new ATOM 0 HD3 LYS A 90 10.721 -7.535 8.481 1.00 0.00 H new ATOM 0 HE2 LYS A 90 8.636 -8.166 6.367 1.00 0.00 H new ATOM 0 HE3 LYS A 90 8.966 -9.270 7.688 1.00 0.00 H new ATOM 0 HZ1 LYS A 90 7.137 -7.792 8.216 1.00 0.00 H new ATOM 0 HZ2 LYS A 90 8.441 -7.498 9.264 1.00 0.00 H new ATOM 0 HZ3 LYS A 90 8.122 -6.428 7.984 1.00 0.00 H new ATOM 1388 N SER A 91 14.695 -4.159 5.959 1.00 0.00 N ATOM 1389 CA SER A 91 15.980 -3.678 6.452 1.00 0.00 C ATOM 1390 C SER A 91 16.090 -2.164 6.297 1.00 0.00 C ATOM 1391 O SER A 91 16.508 -1.463 7.218 1.00 0.00 O ATOM 1392 CB SER A 91 17.126 -4.363 5.705 1.00 0.00 C ATOM 1393 OG SER A 91 17.405 -5.638 6.258 1.00 0.00 O ATOM 0 H SER A 91 14.721 -4.535 5.011 1.00 0.00 H new ATOM 0 HA SER A 91 16.049 -3.923 7.512 1.00 0.00 H new ATOM 0 HB2 SER A 91 16.866 -4.469 4.652 1.00 0.00 H new ATOM 0 HB3 SER A 91 18.019 -3.740 5.752 1.00 0.00 H new ATOM 0 HG SER A 91 18.140 -6.056 5.762 1.00 0.00 H new ATOM 1399 N ALA A 92 15.711 -1.667 5.124 1.00 0.00 N ATOM 1400 CA ALA A 92 15.764 -0.236 4.848 1.00 0.00 C ATOM 1401 C ALA A 92 14.814 0.534 5.758 1.00 0.00 C ATOM 1402 O ALA A 92 15.076 1.683 6.115 1.00 0.00 O ATOM 1403 CB ALA A 92 15.433 0.031 3.387 1.00 0.00 C ATOM 0 H ALA A 92 15.364 -2.234 4.350 1.00 0.00 H new ATOM 0 HA ALA A 92 16.777 0.111 5.049 1.00 0.00 H new ATOM 0 HB1 ALA A 92 15.476 1.103 3.194 1.00 0.00 H new ATOM 0 HB2 ALA A 92 16.155 -0.481 2.751 1.00 0.00 H new ATOM 0 HB3 ALA A 92 14.431 -0.337 3.168 1.00 0.00 H new ATOM 1409 N VAL A 93 13.709 -0.104 6.129 1.00 0.00 N ATOM 1410 CA VAL A 93 12.720 0.522 6.998 1.00 0.00 C ATOM 1411 C VAL A 93 13.181 0.514 8.451 1.00 0.00 C ATOM 1412 O VAL A 93 12.694 1.292 9.272 1.00 0.00 O ATOM 1413 CB VAL A 93 11.357 -0.190 6.900 1.00 0.00 C ATOM 1414 CG1 VAL A 93 10.771 -0.032 5.506 1.00 0.00 C ATOM 1415 CG2 VAL A 93 11.496 -1.660 7.266 1.00 0.00 C ATOM 0 H VAL A 93 13.476 -1.054 5.841 1.00 0.00 H new ATOM 0 HA VAL A 93 12.609 1.553 6.661 1.00 0.00 H new ATOM 0 HB VAL A 93 10.673 0.274 7.610 1.00 0.00 H new ATOM 0 HG11 VAL A 93 9.809 -0.541 5.456 1.00 0.00 H new ATOM 0 HG12 VAL A 93 10.633 1.027 5.287 1.00 0.00 H new ATOM 0 HG13 VAL A 93 11.451 -0.468 4.774 1.00 0.00 H new ATOM 0 HG21 VAL A 93 10.524 -2.147 7.191 1.00 0.00 H new ATOM 0 HG22 VAL A 93 12.196 -2.141 6.583 1.00 0.00 H new ATOM 0 HG23 VAL A 93 11.868 -1.747 8.287 1.00 0.00 H new ATOM 1425 N ASP A 94 14.124 -0.368 8.762 1.00 0.00 N ATOM 1426 CA ASP A 94 14.654 -0.476 10.116 1.00 0.00 C ATOM 1427 C ASP A 94 15.227 0.859 10.584 1.00 0.00 C ATOM 1428 O ASP A 94 14.847 1.376 11.633 1.00 0.00 O ATOM 1429 CB ASP A 94 15.732 -1.558 10.181 1.00 0.00 C ATOM 1430 CG ASP A 94 16.358 -1.671 11.557 1.00 0.00 C ATOM 1431 OD1 ASP A 94 15.777 -2.365 12.418 1.00 0.00 O ATOM 1432 OD2 ASP A 94 17.429 -1.067 11.773 1.00 0.00 O ATOM 0 H ASP A 94 14.537 -1.019 8.094 1.00 0.00 H new ATOM 0 HA ASP A 94 13.834 -0.752 10.779 1.00 0.00 H new ATOM 0 HB2 ASP A 94 15.296 -2.518 9.904 1.00 0.00 H new ATOM 0 HB3 ASP A 94 16.509 -1.337 9.449 1.00 0.00 H new ATOM 1437 N GLY A 95 16.145 1.411 9.796 1.00 0.00 N ATOM 1438 CA GLY A 95 16.757 2.680 10.146 1.00 0.00 C ATOM 1439 C GLY A 95 18.121 2.861 9.510 1.00 0.00 C ATOM 1440 O GLY A 95 18.512 2.093 8.631 1.00 0.00 O ATOM 0 H GLY A 95 16.476 1.002 8.922 1.00 0.00 H new ATOM 0 HA2 GLY A 95 16.103 3.494 9.833 1.00 0.00 H new ATOM 0 HA3 GLY A 95 16.853 2.747 11.230 1.00 0.00 H new ATOM 1444 N THR A 96 18.848 3.882 9.953 1.00 0.00 N ATOM 1445 CA THR A 96 20.174 4.165 9.420 1.00 0.00 C ATOM 1446 C THR A 96 20.160 4.189 7.895 1.00 0.00 C ATOM 1447 O THR A 96 20.968 3.526 7.247 1.00 0.00 O ATOM 1448 CB THR A 96 21.204 3.123 9.895 1.00 0.00 C ATOM 1449 OG1 THR A 96 20.607 1.822 9.926 1.00 0.00 O ATOM 1450 CG2 THR A 96 21.734 3.476 11.277 1.00 0.00 C ATOM 0 H THR A 96 18.540 4.527 10.681 1.00 0.00 H new ATOM 0 HA THR A 96 20.462 5.147 9.794 1.00 0.00 H new ATOM 0 HB THR A 96 22.037 3.123 9.193 1.00 0.00 H new ATOM 0 HG1 THR A 96 20.133 1.659 9.084 1.00 0.00 H new ATOM 0 HG21 THR A 96 22.460 2.726 11.591 1.00 0.00 H new ATOM 0 HG22 THR A 96 22.214 4.454 11.244 1.00 0.00 H new ATOM 0 HG23 THR A 96 20.908 3.502 11.988 1.00 0.00 H new ATOM 1458 N ALA A 97 19.236 4.960 7.330 1.00 0.00 N ATOM 1459 CA ALA A 97 19.119 5.073 5.881 1.00 0.00 C ATOM 1460 C ALA A 97 18.319 6.311 5.490 1.00 0.00 C ATOM 1461 O ALA A 97 17.237 6.555 6.023 1.00 0.00 O ATOM 1462 CB ALA A 97 18.474 3.821 5.304 1.00 0.00 C ATOM 0 H ALA A 97 18.558 5.515 7.853 1.00 0.00 H new ATOM 0 HA ALA A 97 20.122 5.175 5.467 1.00 0.00 H new ATOM 0 HB1 ALA A 97 18.393 3.919 4.221 1.00 0.00 H new ATOM 0 HB2 ALA A 97 19.087 2.952 5.545 1.00 0.00 H new ATOM 0 HB3 ALA A 97 17.480 3.694 5.732 1.00 0.00 H new ATOM 1468 N GLU A 98 18.859 7.089 4.557 1.00 0.00 N ATOM 1469 CA GLU A 98 18.195 8.302 4.097 1.00 0.00 C ATOM 1470 C GLU A 98 16.748 8.015 3.705 1.00 0.00 C ATOM 1471 O GLU A 98 15.827 8.704 4.142 1.00 0.00 O ATOM 1472 CB GLU A 98 18.947 8.903 2.908 1.00 0.00 C ATOM 1473 CG GLU A 98 19.248 7.899 1.808 1.00 0.00 C ATOM 1474 CD GLU A 98 20.264 8.416 0.808 1.00 0.00 C ATOM 1475 OE1 GLU A 98 20.017 9.484 0.209 1.00 0.00 O ATOM 1476 OE2 GLU A 98 21.306 7.753 0.624 1.00 0.00 O ATOM 0 H GLU A 98 19.754 6.901 4.105 1.00 0.00 H new ATOM 0 HA GLU A 98 18.196 9.019 4.918 1.00 0.00 H new ATOM 0 HB2 GLU A 98 18.358 9.720 2.491 1.00 0.00 H new ATOM 0 HB3 GLU A 98 19.884 9.334 3.261 1.00 0.00 H new ATOM 0 HG2 GLU A 98 19.620 6.977 2.255 1.00 0.00 H new ATOM 0 HG3 GLU A 98 18.324 7.650 1.286 1.00 0.00 H new ATOM 1483 N ASN A 99 16.557 6.993 2.876 1.00 0.00 N ATOM 1484 CA ASN A 99 15.224 6.615 2.424 1.00 0.00 C ATOM 1485 C ASN A 99 14.948 5.143 2.712 1.00 0.00 C ATOM 1486 O ASN A 99 15.701 4.255 2.310 1.00 0.00 O ATOM 1487 CB ASN A 99 15.074 6.890 0.926 1.00 0.00 C ATOM 1488 CG ASN A 99 15.476 8.304 0.555 1.00 0.00 C ATOM 1489 OD1 ASN A 99 16.517 8.523 -0.065 1.00 0.00 O ATOM 1490 ND2 ASN A 99 14.651 9.273 0.934 1.00 0.00 N ATOM 0 H ASN A 99 17.309 6.413 2.504 1.00 0.00 H new ATOM 0 HA ASN A 99 14.498 7.216 2.972 1.00 0.00 H new ATOM 0 HB2 ASN A 99 15.686 6.183 0.366 1.00 0.00 H new ATOM 0 HB3 ASN A 99 14.039 6.720 0.630 1.00 0.00 H new ATOM 0 HD21 ASN A 99 14.870 10.244 0.713 1.00 0.00 H new ATOM 0 HD22 ASN A 99 13.799 9.046 1.446 1.00 0.00 H new ATOM 1497 N PRO A 100 13.844 4.875 3.424 1.00 0.00 N ATOM 1498 CA PRO A 100 13.443 3.511 3.781 1.00 0.00 C ATOM 1499 C PRO A 100 12.975 2.709 2.571 1.00 0.00 C ATOM 1500 O PRO A 100 12.802 1.493 2.650 1.00 0.00 O ATOM 1501 CB PRO A 100 12.286 3.726 4.760 1.00 0.00 C ATOM 1502 CG PRO A 100 11.732 5.063 4.404 1.00 0.00 C ATOM 1503 CD PRO A 100 12.901 5.884 3.935 1.00 0.00 C ATOM 0 HA PRO A 100 14.272 2.939 4.198 1.00 0.00 H new ATOM 0 HB2 PRO A 100 11.532 2.945 4.659 1.00 0.00 H new ATOM 0 HB3 PRO A 100 12.632 3.703 5.793 1.00 0.00 H new ATOM 0 HG2 PRO A 100 10.977 4.977 3.623 1.00 0.00 H new ATOM 0 HG3 PRO A 100 11.249 5.527 5.264 1.00 0.00 H new ATOM 0 HD2 PRO A 100 12.609 6.591 3.158 1.00 0.00 H new ATOM 0 HD3 PRO A 100 13.336 6.465 4.748 1.00 0.00 H new ATOM 1511 N PHE A 101 12.773 3.398 1.453 1.00 0.00 N ATOM 1512 CA PHE A 101 12.325 2.749 0.226 1.00 0.00 C ATOM 1513 C PHE A 101 13.514 2.330 -0.633 1.00 0.00 C ATOM 1514 O PHE A 101 14.624 2.836 -0.466 1.00 0.00 O ATOM 1515 CB PHE A 101 11.412 3.687 -0.568 1.00 0.00 C ATOM 1516 CG PHE A 101 10.553 2.976 -1.574 1.00 0.00 C ATOM 1517 CD1 PHE A 101 11.021 2.731 -2.855 1.00 0.00 C ATOM 1518 CD2 PHE A 101 9.276 2.554 -1.239 1.00 0.00 C ATOM 1519 CE1 PHE A 101 10.232 2.078 -3.783 1.00 0.00 C ATOM 1520 CE2 PHE A 101 8.482 1.900 -2.162 1.00 0.00 C ATOM 1521 CZ PHE A 101 8.961 1.661 -3.436 1.00 0.00 C ATOM 0 H PHE A 101 12.912 4.405 1.371 1.00 0.00 H new ATOM 0 HA PHE A 101 11.765 1.855 0.501 1.00 0.00 H new ATOM 0 HB2 PHE A 101 10.771 4.231 0.126 1.00 0.00 H new ATOM 0 HB3 PHE A 101 12.024 4.427 -1.083 1.00 0.00 H new ATOM 0 HD1 PHE A 101 12.014 3.054 -3.131 1.00 0.00 H new ATOM 0 HD2 PHE A 101 8.897 2.738 -0.245 1.00 0.00 H new ATOM 0 HE1 PHE A 101 10.608 1.894 -4.778 1.00 0.00 H new ATOM 0 HE2 PHE A 101 7.489 1.576 -1.888 1.00 0.00 H new ATOM 0 HZ PHE A 101 8.343 1.149 -4.159 1.00 0.00 H new ATOM 1531 N LEU A 102 13.273 1.402 -1.553 1.00 0.00 N ATOM 1532 CA LEU A 102 14.324 0.913 -2.439 1.00 0.00 C ATOM 1533 C LEU A 102 13.826 0.829 -3.879 1.00 0.00 C ATOM 1534 O LEU A 102 12.914 0.062 -4.187 1.00 0.00 O ATOM 1535 CB LEU A 102 14.812 -0.460 -1.975 1.00 0.00 C ATOM 1536 CG LEU A 102 15.115 -0.596 -0.482 1.00 0.00 C ATOM 1537 CD1 LEU A 102 14.956 -2.041 -0.035 1.00 0.00 C ATOM 1538 CD2 LEU A 102 16.517 -0.091 -0.175 1.00 0.00 C ATOM 0 H LEU A 102 12.360 0.973 -1.705 1.00 0.00 H new ATOM 0 HA LEU A 102 15.154 1.618 -2.401 1.00 0.00 H new ATOM 0 HB2 LEU A 102 14.058 -1.200 -2.241 1.00 0.00 H new ATOM 0 HB3 LEU A 102 15.715 -0.710 -2.533 1.00 0.00 H new ATOM 0 HG LEU A 102 14.402 0.014 0.072 1.00 0.00 H new ATOM 0 HD11 LEU A 102 15.176 -2.119 1.030 1.00 0.00 H new ATOM 0 HD12 LEU A 102 13.933 -2.368 -0.219 1.00 0.00 H new ATOM 0 HD13 LEU A 102 15.646 -2.673 -0.595 1.00 0.00 H new ATOM 0 HD21 LEU A 102 16.716 -0.195 0.892 1.00 0.00 H new ATOM 0 HD22 LEU A 102 17.245 -0.674 -0.739 1.00 0.00 H new ATOM 0 HD23 LEU A 102 16.596 0.959 -0.458 1.00 0.00 H new ATOM 1550 N ASP A 103 14.433 1.621 -4.756 1.00 0.00 N ATOM 1551 CA ASP A 103 14.054 1.633 -6.164 1.00 0.00 C ATOM 1552 C ASP A 103 14.581 0.394 -6.880 1.00 0.00 C ATOM 1553 O ASP A 103 15.126 0.484 -7.979 1.00 0.00 O ATOM 1554 CB ASP A 103 14.585 2.895 -6.846 1.00 0.00 C ATOM 1555 CG ASP A 103 14.376 2.874 -8.347 1.00 0.00 C ATOM 1556 OD1 ASP A 103 13.340 2.337 -8.795 1.00 0.00 O ATOM 1557 OD2 ASP A 103 15.246 3.395 -9.075 1.00 0.00 O ATOM 0 H ASP A 103 15.189 2.263 -4.517 1.00 0.00 H new ATOM 0 HA ASP A 103 12.966 1.628 -6.221 1.00 0.00 H new ATOM 0 HB2 ASP A 103 14.087 3.769 -6.425 1.00 0.00 H new ATOM 0 HB3 ASP A 103 15.649 3.000 -6.632 1.00 0.00 H new ATOM 1562 N ASN A 104 14.415 -0.764 -6.248 1.00 0.00 N ATOM 1563 CA ASN A 104 14.876 -2.022 -6.824 1.00 0.00 C ATOM 1564 C ASN A 104 13.695 -2.901 -7.225 1.00 0.00 C ATOM 1565 O ASN A 104 12.634 -2.882 -6.601 1.00 0.00 O ATOM 1566 CB ASN A 104 15.766 -2.768 -5.827 1.00 0.00 C ATOM 1567 CG ASN A 104 17.241 -2.513 -6.067 1.00 0.00 C ATOM 1568 OD1 ASN A 104 17.665 -2.269 -7.197 1.00 0.00 O ATOM 1569 ND2 ASN A 104 18.032 -2.569 -5.002 1.00 0.00 N ATOM 0 H ASN A 104 13.965 -0.857 -5.337 1.00 0.00 H new ATOM 0 HA ASN A 104 15.456 -1.793 -7.718 1.00 0.00 H new ATOM 0 HB2 ASN A 104 15.507 -2.462 -4.813 1.00 0.00 H new ATOM 0 HB3 ASN A 104 15.569 -3.838 -5.897 1.00 0.00 H new ATOM 0 HD21 ASN A 104 19.034 -2.406 -5.102 1.00 0.00 H new ATOM 0 HD22 ASN A 104 17.638 -2.774 -4.084 1.00 0.00 H new ATOM 1576 N PRO A 105 13.882 -3.692 -8.293 1.00 0.00 N ATOM 1577 CA PRO A 105 12.844 -4.594 -8.801 1.00 0.00 C ATOM 1578 C PRO A 105 12.580 -5.763 -7.858 1.00 0.00 C ATOM 1579 O PRO A 105 11.741 -6.620 -8.136 1.00 0.00 O ATOM 1580 CB PRO A 105 13.427 -5.095 -10.124 1.00 0.00 C ATOM 1581 CG PRO A 105 14.902 -4.969 -9.960 1.00 0.00 C ATOM 1582 CD PRO A 105 15.121 -3.766 -9.085 1.00 0.00 C ATOM 0 HA PRO A 105 11.882 -4.091 -8.906 1.00 0.00 H new ATOM 0 HB2 PRO A 105 13.137 -6.128 -10.319 1.00 0.00 H new ATOM 0 HB3 PRO A 105 13.070 -4.500 -10.965 1.00 0.00 H new ATOM 0 HG2 PRO A 105 15.322 -5.865 -9.503 1.00 0.00 H new ATOM 0 HG3 PRO A 105 15.393 -4.844 -10.925 1.00 0.00 H new ATOM 0 HD2 PRO A 105 15.998 -3.886 -8.449 1.00 0.00 H new ATOM 0 HD3 PRO A 105 15.276 -2.863 -9.675 1.00 0.00 H new ATOM 1590 N ASP A 106 13.301 -5.792 -6.743 1.00 0.00 N ATOM 1591 CA ASP A 106 13.144 -6.856 -5.758 1.00 0.00 C ATOM 1592 C ASP A 106 12.370 -6.359 -4.540 1.00 0.00 C ATOM 1593 O ASP A 106 11.583 -7.098 -3.949 1.00 0.00 O ATOM 1594 CB ASP A 106 14.511 -7.387 -5.326 1.00 0.00 C ATOM 1595 CG ASP A 106 14.425 -8.763 -4.694 1.00 0.00 C ATOM 1596 OD1 ASP A 106 13.624 -9.589 -5.179 1.00 0.00 O ATOM 1597 OD2 ASP A 106 15.158 -9.012 -3.714 1.00 0.00 O ATOM 0 H ASP A 106 14.000 -5.091 -6.498 1.00 0.00 H new ATOM 0 HA ASP A 106 12.579 -7.665 -6.221 1.00 0.00 H new ATOM 0 HB2 ASP A 106 15.171 -7.429 -6.192 1.00 0.00 H new ATOM 0 HB3 ASP A 106 14.960 -6.692 -4.616 1.00 0.00 H new ATOM 1602 N ALA A 107 12.600 -5.104 -4.171 1.00 0.00 N ATOM 1603 CA ALA A 107 11.925 -4.508 -3.025 1.00 0.00 C ATOM 1604 C ALA A 107 10.412 -4.671 -3.134 1.00 0.00 C ATOM 1605 O ALA A 107 9.758 -3.978 -3.912 1.00 0.00 O ATOM 1606 CB ALA A 107 12.291 -3.037 -2.902 1.00 0.00 C ATOM 0 H ALA A 107 13.249 -4.480 -4.649 1.00 0.00 H new ATOM 0 HA ALA A 107 12.258 -5.030 -2.128 1.00 0.00 H new ATOM 0 HB1 ALA A 107 11.779 -2.605 -2.042 1.00 0.00 H new ATOM 0 HB2 ALA A 107 13.369 -2.940 -2.770 1.00 0.00 H new ATOM 0 HB3 ALA A 107 11.988 -2.510 -3.807 1.00 0.00 H new ATOM 1612 N PHE A 108 9.863 -5.592 -2.349 1.00 0.00 N ATOM 1613 CA PHE A 108 8.428 -5.848 -2.358 1.00 0.00 C ATOM 1614 C PHE A 108 7.695 -4.867 -1.447 1.00 0.00 C ATOM 1615 O PHE A 108 8.228 -4.435 -0.425 1.00 0.00 O ATOM 1616 CB PHE A 108 8.141 -7.284 -1.916 1.00 0.00 C ATOM 1617 CG PHE A 108 8.889 -8.317 -2.710 1.00 0.00 C ATOM 1618 CD1 PHE A 108 9.159 -8.114 -4.054 1.00 0.00 C ATOM 1619 CD2 PHE A 108 9.321 -9.490 -2.113 1.00 0.00 C ATOM 1620 CE1 PHE A 108 9.848 -9.062 -4.788 1.00 0.00 C ATOM 1621 CE2 PHE A 108 10.010 -10.441 -2.841 1.00 0.00 C ATOM 1622 CZ PHE A 108 10.273 -10.227 -4.181 1.00 0.00 C ATOM 0 H PHE A 108 10.391 -6.174 -1.698 1.00 0.00 H new ATOM 0 HA PHE A 108 8.066 -5.710 -3.377 1.00 0.00 H new ATOM 0 HB2 PHE A 108 8.400 -7.390 -0.862 1.00 0.00 H new ATOM 0 HB3 PHE A 108 7.071 -7.475 -2.002 1.00 0.00 H new ATOM 0 HD1 PHE A 108 8.827 -7.205 -4.534 1.00 0.00 H new ATOM 0 HD2 PHE A 108 9.117 -9.663 -1.067 1.00 0.00 H new ATOM 0 HE1 PHE A 108 10.053 -8.891 -5.834 1.00 0.00 H new ATOM 0 HE2 PHE A 108 10.343 -11.351 -2.363 1.00 0.00 H new ATOM 0 HZ PHE A 108 10.810 -10.970 -4.752 1.00 0.00 H new ATOM 1632 N TYR A 109 6.470 -4.520 -1.826 1.00 0.00 N ATOM 1633 CA TYR A 109 5.664 -3.589 -1.046 1.00 0.00 C ATOM 1634 C TYR A 109 4.176 -3.811 -1.299 1.00 0.00 C ATOM 1635 O TYR A 109 3.778 -4.262 -2.373 1.00 0.00 O ATOM 1636 CB TYR A 109 6.040 -2.146 -1.388 1.00 0.00 C ATOM 1637 CG TYR A 109 7.421 -1.752 -0.913 1.00 0.00 C ATOM 1638 CD1 TYR A 109 7.668 -1.493 0.429 1.00 0.00 C ATOM 1639 CD2 TYR A 109 8.478 -1.639 -1.808 1.00 0.00 C ATOM 1640 CE1 TYR A 109 8.928 -1.132 0.867 1.00 0.00 C ATOM 1641 CE2 TYR A 109 9.741 -1.280 -1.379 1.00 0.00 C ATOM 1642 CZ TYR A 109 9.961 -1.027 -0.041 1.00 0.00 C ATOM 1643 OH TYR A 109 11.218 -0.669 0.391 1.00 0.00 O ATOM 0 H TYR A 109 6.014 -4.870 -2.669 1.00 0.00 H new ATOM 0 HA TYR A 109 5.866 -3.771 0.010 1.00 0.00 H new ATOM 0 HB2 TYR A 109 5.984 -2.011 -2.468 1.00 0.00 H new ATOM 0 HB3 TYR A 109 5.306 -1.473 -0.944 1.00 0.00 H new ATOM 0 HD1 TYR A 109 6.861 -1.575 1.143 1.00 0.00 H new ATOM 0 HD2 TYR A 109 8.309 -1.835 -2.857 1.00 0.00 H new ATOM 0 HE1 TYR A 109 9.103 -0.933 1.914 1.00 0.00 H new ATOM 0 HE2 TYR A 109 10.552 -1.198 -2.087 1.00 0.00 H new ATOM 0 HH TYR A 109 11.831 -0.642 -0.373 1.00 0.00 H new ATOM 1653 N TYR A 110 3.359 -3.491 -0.301 1.00 0.00 N ATOM 1654 CA TYR A 110 1.915 -3.657 -0.413 1.00 0.00 C ATOM 1655 C TYR A 110 1.179 -2.548 0.332 1.00 0.00 C ATOM 1656 O TYR A 110 1.797 -1.717 1.000 1.00 0.00 O ATOM 1657 CB TYR A 110 1.493 -5.021 0.135 1.00 0.00 C ATOM 1658 CG TYR A 110 1.806 -5.207 1.603 1.00 0.00 C ATOM 1659 CD1 TYR A 110 0.923 -4.770 2.582 1.00 0.00 C ATOM 1660 CD2 TYR A 110 2.986 -5.818 2.010 1.00 0.00 C ATOM 1661 CE1 TYR A 110 1.205 -4.937 3.924 1.00 0.00 C ATOM 1662 CE2 TYR A 110 3.275 -5.991 3.349 1.00 0.00 C ATOM 1663 CZ TYR A 110 2.382 -5.548 4.303 1.00 0.00 C ATOM 1664 OH TYR A 110 2.668 -5.717 5.638 1.00 0.00 O ATOM 0 H TYR A 110 3.672 -3.115 0.594 1.00 0.00 H new ATOM 0 HA TYR A 110 1.650 -3.599 -1.469 1.00 0.00 H new ATOM 0 HB2 TYR A 110 0.422 -5.149 -0.019 1.00 0.00 H new ATOM 0 HB3 TYR A 110 1.993 -5.803 -0.436 1.00 0.00 H new ATOM 0 HD1 TYR A 110 0.000 -4.291 2.289 1.00 0.00 H new ATOM 0 HD2 TYR A 110 3.689 -6.163 1.266 1.00 0.00 H new ATOM 0 HE1 TYR A 110 0.508 -4.591 4.672 1.00 0.00 H new ATOM 0 HE2 TYR A 110 4.195 -6.471 3.648 1.00 0.00 H new ATOM 0 HH TYR A 110 3.534 -6.165 5.733 1.00 0.00 H new ATOM 1674 N PHE A 111 -0.144 -2.541 0.214 1.00 0.00 N ATOM 1675 CA PHE A 111 -0.966 -1.534 0.876 1.00 0.00 C ATOM 1676 C PHE A 111 -1.601 -2.097 2.143 1.00 0.00 C ATOM 1677 O PHE A 111 -1.973 -3.269 2.214 1.00 0.00 O ATOM 1678 CB PHE A 111 -2.055 -1.030 -0.073 1.00 0.00 C ATOM 1679 CG PHE A 111 -1.520 -0.496 -1.371 1.00 0.00 C ATOM 1680 CD1 PHE A 111 -0.844 0.712 -1.413 1.00 0.00 C ATOM 1681 CD2 PHE A 111 -1.692 -1.204 -2.550 1.00 0.00 C ATOM 1682 CE1 PHE A 111 -0.351 1.206 -2.606 1.00 0.00 C ATOM 1683 CE2 PHE A 111 -1.201 -0.716 -3.746 1.00 0.00 C ATOM 1684 CZ PHE A 111 -0.529 0.490 -3.774 1.00 0.00 C ATOM 0 H PHE A 111 -0.671 -3.221 -0.334 1.00 0.00 H new ATOM 0 HA PHE A 111 -0.321 -0.700 1.154 1.00 0.00 H new ATOM 0 HB2 PHE A 111 -2.748 -1.845 -0.283 1.00 0.00 H new ATOM 0 HB3 PHE A 111 -2.626 -0.246 0.425 1.00 0.00 H new ATOM 0 HD1 PHE A 111 -0.700 1.275 -0.503 1.00 0.00 H new ATOM 0 HD2 PHE A 111 -2.216 -2.148 -2.534 1.00 0.00 H new ATOM 0 HE1 PHE A 111 0.173 2.150 -2.625 1.00 0.00 H new ATOM 0 HE2 PHE A 111 -1.343 -1.277 -4.658 1.00 0.00 H new ATOM 0 HZ PHE A 111 -0.143 0.873 -4.707 1.00 0.00 H new ATOM 1694 N PRO A 112 -1.727 -1.244 3.171 1.00 0.00 N ATOM 1695 CA PRO A 112 -2.316 -1.634 4.455 1.00 0.00 C ATOM 1696 C PRO A 112 -3.816 -1.885 4.352 1.00 0.00 C ATOM 1697 O PRO A 112 -4.326 -2.879 4.869 1.00 0.00 O ATOM 1698 CB PRO A 112 -2.036 -0.427 5.354 1.00 0.00 C ATOM 1699 CG PRO A 112 -1.910 0.723 4.416 1.00 0.00 C ATOM 1700 CD PRO A 112 -1.304 0.166 3.158 1.00 0.00 C ATOM 0 HA PRO A 112 -1.897 -2.568 4.829 1.00 0.00 H new ATOM 0 HB2 PRO A 112 -2.845 -0.269 6.068 1.00 0.00 H new ATOM 0 HB3 PRO A 112 -1.123 -0.568 5.933 1.00 0.00 H new ATOM 0 HG2 PRO A 112 -2.883 1.171 4.215 1.00 0.00 H new ATOM 0 HG3 PRO A 112 -1.280 1.505 4.840 1.00 0.00 H new ATOM 0 HD2 PRO A 112 -1.668 0.687 2.272 1.00 0.00 H new ATOM 0 HD3 PRO A 112 -0.218 0.260 3.159 1.00 0.00 H new ATOM 1708 N ASP A 113 -4.518 -0.978 3.682 1.00 0.00 N ATOM 1709 CA ASP A 113 -5.961 -1.102 3.510 1.00 0.00 C ATOM 1710 C ASP A 113 -6.304 -2.324 2.663 1.00 0.00 C ATOM 1711 O ASP A 113 -7.262 -3.042 2.951 1.00 0.00 O ATOM 1712 CB ASP A 113 -6.529 0.160 2.860 1.00 0.00 C ATOM 1713 CG ASP A 113 -7.963 0.429 3.273 1.00 0.00 C ATOM 1714 OD1 ASP A 113 -8.287 0.218 4.461 1.00 0.00 O ATOM 1715 OD2 ASP A 113 -8.761 0.850 2.409 1.00 0.00 O ATOM 0 H ASP A 113 -4.111 -0.149 3.249 1.00 0.00 H new ATOM 0 HA ASP A 113 -6.410 -1.227 4.495 1.00 0.00 H new ATOM 0 HB2 ASP A 113 -5.910 1.015 3.131 1.00 0.00 H new ATOM 0 HB3 ASP A 113 -6.479 0.061 1.776 1.00 0.00 H new ATOM 1720 N SER A 114 -5.517 -2.553 1.617 1.00 0.00 N ATOM 1721 CA SER A 114 -5.740 -3.685 0.726 1.00 0.00 C ATOM 1722 C SER A 114 -5.569 -5.005 1.471 1.00 0.00 C ATOM 1723 O SER A 114 -4.893 -5.069 2.496 1.00 0.00 O ATOM 1724 CB SER A 114 -4.774 -3.626 -0.459 1.00 0.00 C ATOM 1725 OG SER A 114 -5.176 -4.512 -1.489 1.00 0.00 O ATOM 0 H SER A 114 -4.719 -1.969 1.366 1.00 0.00 H new ATOM 0 HA SER A 114 -6.763 -3.628 0.355 1.00 0.00 H new ATOM 0 HB2 SER A 114 -4.731 -2.608 -0.847 1.00 0.00 H new ATOM 0 HB3 SER A 114 -3.769 -3.883 -0.126 1.00 0.00 H new ATOM 0 HG SER A 114 -4.544 -4.454 -2.235 1.00 0.00 H new ATOM 1731 N GLY A 115 -6.189 -6.058 0.946 1.00 0.00 N ATOM 1732 CA GLY A 115 -6.094 -7.363 1.573 1.00 0.00 C ATOM 1733 C GLY A 115 -4.868 -8.134 1.125 1.00 0.00 C ATOM 1734 O GLY A 115 -4.941 -8.956 0.211 1.00 0.00 O ATOM 0 H GLY A 115 -6.755 -6.030 0.098 1.00 0.00 H new ATOM 0 HA2 GLY A 115 -6.067 -7.241 2.656 1.00 0.00 H new ATOM 0 HA3 GLY A 115 -6.988 -7.941 1.339 1.00 0.00 H new ATOM 1738 N PHE A 116 -3.736 -7.868 1.769 1.00 0.00 N ATOM 1739 CA PHE A 116 -2.487 -8.541 1.430 1.00 0.00 C ATOM 1740 C PHE A 116 -2.216 -9.698 2.387 1.00 0.00 C ATOM 1741 O PHE A 116 -2.624 -9.667 3.548 1.00 0.00 O ATOM 1742 CB PHE A 116 -1.322 -7.549 1.467 1.00 0.00 C ATOM 1743 CG PHE A 116 0.010 -8.199 1.709 1.00 0.00 C ATOM 1744 CD1 PHE A 116 0.781 -8.646 0.647 1.00 0.00 C ATOM 1745 CD2 PHE A 116 0.493 -8.361 2.997 1.00 0.00 C ATOM 1746 CE1 PHE A 116 2.007 -9.244 0.867 1.00 0.00 C ATOM 1747 CE2 PHE A 116 1.718 -8.959 3.223 1.00 0.00 C ATOM 1748 CZ PHE A 116 2.477 -9.400 2.157 1.00 0.00 C ATOM 0 H PHE A 116 -3.658 -7.191 2.528 1.00 0.00 H new ATOM 0 HA PHE A 116 -2.581 -8.942 0.421 1.00 0.00 H new ATOM 0 HB2 PHE A 116 -1.287 -7.007 0.522 1.00 0.00 H new ATOM 0 HB3 PHE A 116 -1.506 -6.813 2.250 1.00 0.00 H new ATOM 0 HD1 PHE A 116 0.419 -8.525 -0.363 1.00 0.00 H new ATOM 0 HD2 PHE A 116 -0.095 -8.016 3.835 1.00 0.00 H new ATOM 0 HE1 PHE A 116 2.598 -9.589 0.031 1.00 0.00 H new ATOM 0 HE2 PHE A 116 2.082 -9.081 4.233 1.00 0.00 H new ATOM 0 HZ PHE A 116 3.436 -9.866 2.331 1.00 0.00 H new ATOM 1758 N PHE A 117 -1.524 -10.718 1.891 1.00 0.00 N ATOM 1759 CA PHE A 117 -1.198 -11.887 2.700 1.00 0.00 C ATOM 1760 C PHE A 117 -0.072 -12.694 2.061 1.00 0.00 C ATOM 1761 O PHE A 117 -0.012 -12.837 0.840 1.00 0.00 O ATOM 1762 CB PHE A 117 -2.435 -12.769 2.880 1.00 0.00 C ATOM 1763 CG PHE A 117 -2.754 -13.607 1.675 1.00 0.00 C ATOM 1764 CD1 PHE A 117 -2.076 -14.792 1.439 1.00 0.00 C ATOM 1765 CD2 PHE A 117 -3.733 -13.209 0.778 1.00 0.00 C ATOM 1766 CE1 PHE A 117 -2.367 -15.564 0.330 1.00 0.00 C ATOM 1767 CE2 PHE A 117 -4.029 -13.977 -0.333 1.00 0.00 C ATOM 1768 CZ PHE A 117 -3.346 -15.157 -0.556 1.00 0.00 C ATOM 0 H PHE A 117 -1.178 -10.759 0.932 1.00 0.00 H new ATOM 0 HA PHE A 117 -0.862 -11.540 3.677 1.00 0.00 H new ATOM 0 HB2 PHE A 117 -2.283 -13.424 3.738 1.00 0.00 H new ATOM 0 HB3 PHE A 117 -3.292 -12.136 3.110 1.00 0.00 H new ATOM 0 HD1 PHE A 117 -1.311 -15.116 2.129 1.00 0.00 H new ATOM 0 HD2 PHE A 117 -4.271 -12.288 0.949 1.00 0.00 H new ATOM 0 HE1 PHE A 117 -1.830 -16.485 0.156 1.00 0.00 H new ATOM 0 HE2 PHE A 117 -4.793 -13.655 -1.025 1.00 0.00 H new ATOM 0 HZ PHE A 117 -3.577 -15.760 -1.421 1.00 0.00 H new ATOM 1778 N CYS A 118 0.819 -13.218 2.896 1.00 0.00 N ATOM 1779 CA CYS A 118 1.945 -14.010 2.414 1.00 0.00 C ATOM 1780 C CYS A 118 1.841 -15.453 2.897 1.00 0.00 C ATOM 1781 O CYS A 118 1.878 -15.720 4.098 1.00 0.00 O ATOM 1782 CB CYS A 118 3.265 -13.397 2.883 1.00 0.00 C ATOM 1783 SG CYS A 118 4.711 -13.959 1.955 1.00 0.00 S ATOM 0 H CYS A 118 0.783 -13.109 3.909 1.00 0.00 H new ATOM 0 HA CYS A 118 1.919 -14.007 1.324 1.00 0.00 H new ATOM 0 HB2 CYS A 118 3.197 -12.312 2.806 1.00 0.00 H new ATOM 0 HB3 CYS A 118 3.409 -13.634 3.937 1.00 0.00 H new ATOM 0 HG CYS A 118 5.392 -12.929 1.548 1.00 0.00 H new ATOM 1789 N GLU A 119 1.709 -16.380 1.953 1.00 0.00 N ATOM 1790 CA GLU A 119 1.597 -17.796 2.284 1.00 0.00 C ATOM 1791 C GLU A 119 2.976 -18.439 2.397 1.00 0.00 C ATOM 1792 O GLU A 119 3.858 -18.188 1.577 1.00 0.00 O ATOM 1793 CB GLU A 119 0.767 -18.526 1.225 1.00 0.00 C ATOM 1794 CG GLU A 119 0.879 -17.917 -0.162 1.00 0.00 C ATOM 1795 CD GLU A 119 0.586 -18.917 -1.264 1.00 0.00 C ATOM 1796 OE1 GLU A 119 0.589 -20.132 -0.977 1.00 0.00 O ATOM 1797 OE2 GLU A 119 0.353 -18.484 -2.412 1.00 0.00 O ATOM 0 H GLU A 119 1.677 -16.176 0.954 1.00 0.00 H new ATOM 0 HA GLU A 119 1.096 -17.879 3.249 1.00 0.00 H new ATOM 0 HB2 GLU A 119 1.084 -19.568 1.182 1.00 0.00 H new ATOM 0 HB3 GLU A 119 -0.279 -18.524 1.530 1.00 0.00 H new ATOM 0 HG2 GLU A 119 0.187 -17.079 -0.244 1.00 0.00 H new ATOM 0 HG3 GLU A 119 1.883 -17.516 -0.298 1.00 0.00 H new ATOM 1804 N GLU A 120 3.153 -19.269 3.420 1.00 0.00 N ATOM 1805 CA GLU A 120 4.425 -19.947 3.642 1.00 0.00 C ATOM 1806 C GLU A 120 4.482 -21.263 2.872 1.00 0.00 C ATOM 1807 O GLU A 120 4.202 -22.328 3.422 1.00 0.00 O ATOM 1808 CB GLU A 120 4.637 -20.206 5.135 1.00 0.00 C ATOM 1809 CG GLU A 120 5.130 -18.990 5.900 1.00 0.00 C ATOM 1810 CD GLU A 120 3.998 -18.100 6.373 1.00 0.00 C ATOM 1811 OE1 GLU A 120 3.088 -17.817 5.566 1.00 0.00 O ATOM 1812 OE2 GLU A 120 4.022 -17.686 7.551 1.00 0.00 O ATOM 0 H GLU A 120 2.432 -19.488 4.108 1.00 0.00 H new ATOM 0 HA GLU A 120 5.222 -19.298 3.277 1.00 0.00 H new ATOM 0 HB2 GLU A 120 3.698 -20.544 5.573 1.00 0.00 H new ATOM 0 HB3 GLU A 120 5.356 -21.017 5.256 1.00 0.00 H new ATOM 0 HG2 GLU A 120 5.713 -19.319 6.761 1.00 0.00 H new ATOM 0 HG3 GLU A 120 5.800 -18.412 5.263 1.00 0.00 H new ATOM 1819 N ASN A 121 4.844 -21.181 1.596 1.00 0.00 N ATOM 1820 CA ASN A 121 4.936 -22.365 0.750 1.00 0.00 C ATOM 1821 C ASN A 121 6.177 -23.184 1.092 1.00 0.00 C ATOM 1822 O ASN A 121 7.019 -22.754 1.881 1.00 0.00 O ATOM 1823 CB ASN A 121 4.969 -21.962 -0.726 1.00 0.00 C ATOM 1824 CG ASN A 121 3.579 -21.794 -1.310 1.00 0.00 C ATOM 1825 OD1 ASN A 121 3.149 -22.769 -2.101 1.00 0.00 O flip ATOM 1826 ND2 ASN A 121 2.902 -20.799 -1.052 1.00 0.00 N flip ATOM 0 H ASN A 121 5.078 -20.307 1.125 1.00 0.00 H new ATOM 0 HA ASN A 121 4.055 -22.980 0.933 1.00 0.00 H new ATOM 0 HB2 ASN A 121 5.520 -21.028 -0.833 1.00 0.00 H new ATOM 0 HB3 ASN A 121 5.510 -22.718 -1.294 1.00 0.00 H new ATOM 0 HD21 ASN A 121 3.274 -20.074 -0.438 1.00 0.00 H new ATOM 0 HD22 ASN A 121 1.969 -20.699 -1.452 1.00 0.00 H new ATOM 1833 N SER A 122 6.284 -24.365 0.493 1.00 0.00 N ATOM 1834 CA SER A 122 7.421 -25.246 0.737 1.00 0.00 C ATOM 1835 C SER A 122 8.012 -25.747 -0.578 1.00 0.00 C ATOM 1836 O SER A 122 7.309 -26.321 -1.408 1.00 0.00 O ATOM 1837 CB SER A 122 6.997 -26.433 1.604 1.00 0.00 C ATOM 1838 OG SER A 122 5.963 -27.176 0.981 1.00 0.00 O ATOM 0 H SER A 122 5.598 -24.735 -0.165 1.00 0.00 H new ATOM 0 HA SER A 122 8.185 -24.675 1.265 1.00 0.00 H new ATOM 0 HB2 SER A 122 7.855 -27.080 1.785 1.00 0.00 H new ATOM 0 HB3 SER A 122 6.657 -26.075 2.576 1.00 0.00 H new ATOM 0 HG SER A 122 6.115 -27.200 0.013 1.00 0.00 H new ATOM 1844 N GLY A 123 9.310 -25.525 -0.759 1.00 0.00 N ATOM 1845 CA GLY A 123 9.975 -25.959 -1.973 1.00 0.00 C ATOM 1846 C GLY A 123 9.486 -27.312 -2.450 1.00 0.00 C ATOM 1847 O GLY A 123 9.298 -28.240 -1.663 1.00 0.00 O ATOM 0 H GLY A 123 9.913 -25.052 -0.086 1.00 0.00 H new ATOM 0 HA2 GLY A 123 9.811 -25.220 -2.757 1.00 0.00 H new ATOM 0 HA3 GLY A 123 11.050 -26.006 -1.798 1.00 0.00 H new ATOM 1851 N PRO A 124 9.270 -27.437 -3.768 1.00 0.00 N ATOM 1852 CA PRO A 124 8.795 -28.683 -4.377 1.00 0.00 C ATOM 1853 C PRO A 124 9.852 -29.783 -4.346 1.00 0.00 C ATOM 1854 O PRO A 124 10.936 -29.599 -3.793 1.00 0.00 O ATOM 1855 CB PRO A 124 8.488 -28.277 -5.821 1.00 0.00 C ATOM 1856 CG PRO A 124 9.361 -27.098 -6.077 1.00 0.00 C ATOM 1857 CD PRO A 124 9.473 -26.373 -4.764 1.00 0.00 C ATOM 0 HA PRO A 124 7.939 -29.097 -3.845 1.00 0.00 H new ATOM 0 HB2 PRO A 124 8.706 -29.089 -6.515 1.00 0.00 H new ATOM 0 HB3 PRO A 124 7.435 -28.024 -5.946 1.00 0.00 H new ATOM 0 HG2 PRO A 124 10.342 -27.409 -6.436 1.00 0.00 H new ATOM 0 HG3 PRO A 124 8.931 -26.453 -6.843 1.00 0.00 H new ATOM 0 HD2 PRO A 124 10.447 -25.896 -4.650 1.00 0.00 H new ATOM 0 HD3 PRO A 124 8.722 -25.589 -4.673 1.00 0.00 H new ATOM 1865 N SER A 125 9.528 -30.925 -4.944 1.00 0.00 N ATOM 1866 CA SER A 125 10.449 -32.055 -4.982 1.00 0.00 C ATOM 1867 C SER A 125 10.528 -32.645 -6.387 1.00 0.00 C ATOM 1868 O SER A 125 10.030 -33.741 -6.641 1.00 0.00 O ATOM 1869 CB SER A 125 10.008 -33.132 -3.989 1.00 0.00 C ATOM 1870 OG SER A 125 8.708 -33.606 -4.294 1.00 0.00 O ATOM 0 H SER A 125 8.635 -31.092 -5.408 1.00 0.00 H new ATOM 0 HA SER A 125 11.439 -31.695 -4.702 1.00 0.00 H new ATOM 0 HB2 SER A 125 10.715 -33.961 -4.010 1.00 0.00 H new ATOM 0 HB3 SER A 125 10.022 -32.726 -2.977 1.00 0.00 H new ATOM 0 HG SER A 125 8.686 -33.929 -5.219 1.00 0.00 H new ATOM 1876 N SER A 126 11.157 -31.908 -7.297 1.00 0.00 N ATOM 1877 CA SER A 126 11.299 -32.354 -8.677 1.00 0.00 C ATOM 1878 C SER A 126 12.554 -31.763 -9.313 1.00 0.00 C ATOM 1879 O SER A 126 13.288 -31.007 -8.678 1.00 0.00 O ATOM 1880 CB SER A 126 10.066 -31.959 -9.493 1.00 0.00 C ATOM 1881 OG SER A 126 10.101 -30.585 -9.838 1.00 0.00 O ATOM 0 H SER A 126 11.576 -30.999 -7.103 1.00 0.00 H new ATOM 0 HA SER A 126 11.391 -33.440 -8.674 1.00 0.00 H new ATOM 0 HB2 SER A 126 10.017 -32.563 -10.399 1.00 0.00 H new ATOM 0 HB3 SER A 126 9.164 -32.170 -8.919 1.00 0.00 H new ATOM 0 HG SER A 126 9.303 -30.358 -10.360 1.00 0.00 H new ATOM 1887 N GLY A 127 12.792 -32.114 -10.574 1.00 0.00 N ATOM 1888 CA GLY A 127 13.958 -31.610 -11.276 1.00 0.00 C ATOM 1889 C GLY A 127 14.350 -32.484 -12.451 1.00 0.00 C ATOM 1890 O GLY A 127 14.703 -31.980 -13.517 1.00 0.00 O ATOM 0 H GLY A 127 12.199 -32.738 -11.121 1.00 0.00 H new ATOM 0 HA2 GLY A 127 13.756 -30.599 -11.630 1.00 0.00 H new ATOM 0 HA3 GLY A 127 14.796 -31.543 -10.582 1.00 0.00 H new TER 1894 GLY A 127