USER MOD reduce.3.24.130724 H: found=0, std=0, add=803, rem=0, adj=21 USER MOD reduce.3.24.130724 removed 803 hydrogens (0 hets) USER MOD ----------------------------------------------------------------- USER MOD scores for adjustable sidechains, with "set" totals for H,N and Q USER MOD "o" means original, "f" means flipped, "180deg" is methyl default USER MOD "!" flags a clash with an overlap of 0.40A or greater USER MOD flip categories: "K"=keep, "C"=clashes, "X"=uncertain, "F"=flip USER MOD Set 1.1: C 50 GLN : amide:sc= 1.2 K(o=1.2,f=-0.35) USER MOD Set 1.2: I 1 ARG N :NH3+ 180:sc= 0 (180deg=0) USER MOD Set 2.1: C 69 SER OG : rot 94:sc= 1.27 USER MOD Set 2.2: C 71 THR OG1 : rot 180:sc= 1.03 USER MOD Set 3.1: C 16 GLN :FLIP amide:sc= -0.116 F(o=-0.73,f=-0.12) USER MOD Set 3.2: C 85 MET CE :methyl -170:sc= 0 (180deg=-0.0501) USER MOD Single : C 1 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : C 1 MET N :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : C 5 TYR OH : rot 180:sc= 0 USER MOD Single : C 6 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : C 11 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : C 13 THR OG1 : rot -90:sc= 0.126 USER MOD Single : C 17 LYS NZ :NH3+ -165:sc= -0.0745 (180deg=-0.723) USER MOD Single : C 18 ASN :FLIP amide:sc= -2.25 F(o=-2.8!,f=-2.2) USER MOD Single : C 21 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : C 35 CYS SG : rot 180:sc= -0.056 USER MOD Single : C 37 SER OG : rot 180:sc= -0.229 USER MOD Single : C 38 THR OG1 : rot -78:sc= -0.15 USER MOD Single : C 39 LYS NZ :NH3+ -132:sc= 0 (180deg=-0.0121) USER MOD Single : C 43 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : C 45 MET CE :methyl 142:sc= -6.45! (180deg=-12.5!) USER MOD Single : C 47 MET CE :methyl 166:sc= -2.94 (180deg=-3.48!) USER MOD Single : C 51 ASN : amide:sc= -0.466 K(o=-0.47,f=-2.5) USER MOD Single : C 53 THR OG1 : rot 180:sc= 0.165 USER MOD Single : C 58 GLN : amide:sc= -2.39! C(o=-2.4!,f=-4.7!) USER MOD Single : C 60 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : C 80 MET CE :methyl 172:sc= -0.0236 (180deg=-0.197) USER MOD Single : C 81 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : C 84 CYS SG : rot -26:sc= 0.374 USER MOD Single : C 86 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : C 89 SER OG : rot 180:sc= 0 USER MOD Single : I 3 SER OG : rot 180:sc= 0 USER MOD Single : I 7 MET CE :methyl 150:sc= -4.21! (180deg=-5.69!) USER MOD Single : I 8 MET CE :methyl 133:sc= -5.25! (180deg=-6.99!) USER MOD Single : I 9 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : I 17 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD ----------------------------------------------------------------- ATOM 1 N MET C 1 60.328 -9.382 20.250 1.00 0.00 N ATOM 2 CA MET C 1 59.018 -8.789 19.855 1.00 0.00 C ATOM 3 C MET C 1 59.078 -8.286 18.410 1.00 0.00 C ATOM 4 O MET C 1 58.889 -7.117 18.141 1.00 0.00 O ATOM 5 CB MET C 1 58.801 -7.623 20.820 1.00 0.00 C ATOM 6 CG MET C 1 57.366 -7.657 21.348 1.00 0.00 C ATOM 7 SD MET C 1 57.380 -7.494 23.151 1.00 0.00 S ATOM 8 CE MET C 1 56.275 -8.881 23.513 1.00 0.00 C ATOM 0 H1 MET C 1 60.274 -9.719 21.232 1.00 0.00 H new ATOM 0 H2 MET C 1 60.551 -10.180 19.622 1.00 0.00 H new ATOM 0 H3 MET C 1 61.073 -8.661 20.172 1.00 0.00 H new ATOM 0 HA MET C 1 58.206 -9.515 19.905 1.00 0.00 H new ATOM 0 HB2 MET C 1 59.506 -7.687 21.649 1.00 0.00 H new ATOM 0 HB3 MET C 1 58.991 -6.677 20.313 1.00 0.00 H new ATOM 0 HG2 MET C 1 56.785 -6.849 20.904 1.00 0.00 H new ATOM 0 HG3 MET C 1 56.884 -8.591 21.061 1.00 0.00 H new ATOM 0 HE1 MET C 1 56.140 -8.967 24.591 1.00 0.00 H new ATOM 0 HE2 MET C 1 55.309 -8.710 23.039 1.00 0.00 H new ATOM 0 HE3 MET C 1 56.710 -9.803 23.127 1.00 0.00 H new ATOM 20 N ASP C 2 59.340 -9.161 17.477 1.00 0.00 N ATOM 21 CA ASP C 2 59.412 -8.732 16.050 1.00 0.00 C ATOM 22 C ASP C 2 59.344 -9.951 15.127 1.00 0.00 C ATOM 23 O ASP C 2 60.253 -10.213 14.363 1.00 0.00 O ATOM 24 CB ASP C 2 60.765 -8.033 15.916 1.00 0.00 C ATOM 25 CG ASP C 2 60.549 -6.580 15.491 1.00 0.00 C ATOM 26 OD1 ASP C 2 60.462 -6.339 14.298 1.00 0.00 O ATOM 27 OD2 ASP C 2 60.475 -5.732 16.366 1.00 0.00 O ATOM 0 H ASP C 2 59.507 -10.154 17.641 1.00 0.00 H new ATOM 0 HA ASP C 2 58.585 -8.078 15.773 1.00 0.00 H new ATOM 0 HB2 ASP C 2 61.301 -8.070 16.865 1.00 0.00 H new ATOM 0 HB3 ASP C 2 61.382 -8.550 15.181 1.00 0.00 H new ATOM 32 N ASP C 3 58.277 -10.699 15.189 1.00 0.00 N ATOM 33 CA ASP C 3 58.157 -11.901 14.314 1.00 0.00 C ATOM 34 C ASP C 3 56.788 -11.930 13.626 1.00 0.00 C ATOM 35 O ASP C 3 56.406 -12.916 13.029 1.00 0.00 O ATOM 36 CB ASP C 3 58.304 -13.094 15.259 1.00 0.00 C ATOM 37 CG ASP C 3 59.672 -13.747 15.051 1.00 0.00 C ATOM 38 OD1 ASP C 3 60.443 -13.224 14.262 1.00 0.00 O ATOM 39 OD2 ASP C 3 59.927 -14.758 15.684 1.00 0.00 O ATOM 0 H ASP C 3 57.483 -10.531 15.807 1.00 0.00 H new ATOM 0 HA ASP C 3 58.907 -11.908 13.523 1.00 0.00 H new ATOM 0 HB2 ASP C 3 58.199 -12.767 16.293 1.00 0.00 H new ATOM 0 HB3 ASP C 3 57.512 -13.819 15.072 1.00 0.00 H new ATOM 44 N ILE C 4 56.047 -10.858 13.704 1.00 0.00 N ATOM 45 CA ILE C 4 54.705 -10.834 13.051 1.00 0.00 C ATOM 46 C ILE C 4 54.834 -10.397 11.588 1.00 0.00 C ATOM 47 O ILE C 4 54.185 -10.933 10.712 1.00 0.00 O ATOM 48 CB ILE C 4 53.892 -9.812 13.844 1.00 0.00 C ATOM 49 CG1 ILE C 4 53.828 -10.238 15.313 1.00 0.00 C ATOM 50 CG2 ILE C 4 52.474 -9.736 13.275 1.00 0.00 C ATOM 51 CD1 ILE C 4 54.490 -9.168 16.183 1.00 0.00 C ATOM 0 H ILE C 4 56.311 -10.001 14.189 1.00 0.00 H new ATOM 0 HA ILE C 4 54.233 -11.816 13.049 1.00 0.00 H new ATOM 0 HB ILE C 4 54.368 -8.834 13.769 1.00 0.00 H new ATOM 0 HG12 ILE C 4 52.791 -10.379 15.617 1.00 0.00 H new ATOM 0 HG13 ILE C 4 54.332 -11.195 15.448 1.00 0.00 H new ATOM 0 HG21 ILE C 4 51.894 -9.007 13.841 1.00 0.00 H new ATOM 0 HG22 ILE C 4 52.517 -9.433 12.229 1.00 0.00 H new ATOM 0 HG23 ILE C 4 51.999 -10.714 13.350 1.00 0.00 H new ATOM 0 HD11 ILE C 4 54.445 -9.471 17.229 1.00 0.00 H new ATOM 0 HD12 ILE C 4 55.532 -9.049 15.884 1.00 0.00 H new ATOM 0 HD13 ILE C 4 53.966 -8.221 16.056 1.00 0.00 H new ATOM 63 N TYR C 5 55.665 -9.428 11.318 1.00 0.00 N ATOM 64 CA TYR C 5 55.831 -8.962 9.911 1.00 0.00 C ATOM 65 C TYR C 5 56.535 -10.033 9.076 1.00 0.00 C ATOM 66 O TYR C 5 56.047 -10.446 8.043 1.00 0.00 O ATOM 67 CB TYR C 5 56.691 -7.704 10.011 1.00 0.00 C ATOM 68 CG TYR C 5 56.098 -6.773 11.041 1.00 0.00 C ATOM 69 CD1 TYR C 5 55.003 -5.968 10.708 1.00 0.00 C ATOM 70 CD2 TYR C 5 56.642 -6.717 12.330 1.00 0.00 C ATOM 71 CE1 TYR C 5 54.450 -5.107 11.664 1.00 0.00 C ATOM 72 CE2 TYR C 5 56.089 -5.856 13.286 1.00 0.00 C ATOM 73 CZ TYR C 5 54.993 -5.050 12.953 1.00 0.00 C ATOM 74 OH TYR C 5 54.448 -4.203 13.895 1.00 0.00 O ATOM 0 H TYR C 5 56.235 -8.939 12.008 1.00 0.00 H new ATOM 0 HA TYR C 5 54.875 -8.764 9.426 1.00 0.00 H new ATOM 0 HB2 TYR C 5 57.711 -7.969 10.288 1.00 0.00 H new ATOM 0 HB3 TYR C 5 56.743 -7.207 9.042 1.00 0.00 H new ATOM 0 HD1 TYR C 5 54.584 -6.011 9.713 1.00 0.00 H new ATOM 0 HD2 TYR C 5 57.488 -7.338 12.587 1.00 0.00 H new ATOM 0 HE1 TYR C 5 53.604 -4.487 11.407 1.00 0.00 H new ATOM 0 HE2 TYR C 5 56.508 -5.813 14.281 1.00 0.00 H new ATOM 0 HH TYR C 5 54.943 -4.288 14.736 1.00 0.00 H new ATOM 84 N LYS C 6 57.677 -10.489 9.516 1.00 0.00 N ATOM 85 CA LYS C 6 58.406 -11.535 8.744 1.00 0.00 C ATOM 86 C LYS C 6 57.426 -12.604 8.257 1.00 0.00 C ATOM 87 O LYS C 6 57.616 -13.210 7.221 1.00 0.00 O ATOM 88 CB LYS C 6 59.410 -12.134 9.727 1.00 0.00 C ATOM 89 CG LYS C 6 58.681 -12.566 10.997 1.00 0.00 C ATOM 90 CD LYS C 6 58.232 -14.022 10.859 1.00 0.00 C ATOM 91 CE LYS C 6 59.227 -14.934 11.580 1.00 0.00 C ATOM 92 NZ LYS C 6 58.389 -15.972 12.244 1.00 0.00 N ATOM 0 H LYS C 6 58.135 -10.183 10.374 1.00 0.00 H new ATOM 0 HA LYS C 6 58.900 -11.128 7.862 1.00 0.00 H new ATOM 0 HB2 LYS C 6 59.913 -12.989 9.275 1.00 0.00 H new ATOM 0 HB3 LYS C 6 60.181 -11.402 9.968 1.00 0.00 H new ATOM 0 HG2 LYS C 6 59.337 -12.457 11.860 1.00 0.00 H new ATOM 0 HG3 LYS C 6 57.818 -11.923 11.170 1.00 0.00 H new ATOM 0 HD2 LYS C 6 57.235 -14.148 11.282 1.00 0.00 H new ATOM 0 HD3 LYS C 6 58.169 -14.296 9.806 1.00 0.00 H new ATOM 0 HE2 LYS C 6 59.930 -15.384 10.879 1.00 0.00 H new ATOM 0 HE3 LYS C 6 59.816 -14.377 12.309 1.00 0.00 H new ATOM 0 HZ1 LYS C 6 59.002 -16.635 12.760 1.00 0.00 H new ATOM 0 HZ2 LYS C 6 57.735 -15.515 12.911 1.00 0.00 H new ATOM 0 HZ3 LYS C 6 57.845 -16.491 11.525 1.00 0.00 H new ATOM 106 N ALA C 7 56.376 -12.834 8.995 1.00 0.00 N ATOM 107 CA ALA C 7 55.379 -13.858 8.573 1.00 0.00 C ATOM 108 C ALA C 7 54.448 -13.267 7.513 1.00 0.00 C ATOM 109 O ALA C 7 54.175 -13.880 6.499 1.00 0.00 O ATOM 110 CB ALA C 7 54.598 -14.201 9.841 1.00 0.00 C ATOM 0 H ALA C 7 56.165 -12.358 9.872 1.00 0.00 H new ATOM 0 HA ALA C 7 55.847 -14.740 8.137 1.00 0.00 H new ATOM 0 HB1 ALA C 7 53.842 -14.952 9.611 1.00 0.00 H new ATOM 0 HB2 ALA C 7 55.281 -14.593 10.594 1.00 0.00 H new ATOM 0 HB3 ALA C 7 54.113 -13.303 10.224 1.00 0.00 H new ATOM 116 N ALA C 8 53.962 -12.077 7.736 1.00 0.00 N ATOM 117 CA ALA C 8 53.055 -11.445 6.737 1.00 0.00 C ATOM 118 C ALA C 8 53.748 -11.378 5.375 1.00 0.00 C ATOM 119 O ALA C 8 53.133 -11.558 4.342 1.00 0.00 O ATOM 120 CB ALA C 8 52.790 -10.038 7.275 1.00 0.00 C ATOM 0 H ALA C 8 54.153 -11.516 8.566 1.00 0.00 H new ATOM 0 HA ALA C 8 52.131 -12.006 6.600 1.00 0.00 H new ATOM 0 HB1 ALA C 8 52.127 -9.506 6.592 1.00 0.00 H new ATOM 0 HB2 ALA C 8 52.321 -10.106 8.257 1.00 0.00 H new ATOM 0 HB3 ALA C 8 53.733 -9.497 7.360 1.00 0.00 H new ATOM 126 N VAL C 9 55.028 -11.125 5.367 1.00 0.00 N ATOM 127 CA VAL C 9 55.768 -11.050 4.075 1.00 0.00 C ATOM 128 C VAL C 9 55.591 -12.353 3.295 1.00 0.00 C ATOM 129 O VAL C 9 54.903 -12.404 2.295 1.00 0.00 O ATOM 130 CB VAL C 9 57.233 -10.865 4.471 1.00 0.00 C ATOM 131 CG1 VAL C 9 58.104 -10.832 3.215 1.00 0.00 C ATOM 132 CG2 VAL C 9 57.392 -9.549 5.234 1.00 0.00 C ATOM 0 H VAL C 9 55.594 -10.967 6.200 1.00 0.00 H new ATOM 0 HA VAL C 9 55.410 -10.241 3.438 1.00 0.00 H new ATOM 0 HB VAL C 9 57.543 -11.695 5.106 1.00 0.00 H new ATOM 0 HG11 VAL C 9 59.148 -10.700 3.500 1.00 0.00 H new ATOM 0 HG12 VAL C 9 57.992 -11.769 2.670 1.00 0.00 H new ATOM 0 HG13 VAL C 9 57.794 -10.003 2.579 1.00 0.00 H new ATOM 0 HG21 VAL C 9 58.436 -9.416 5.517 1.00 0.00 H new ATOM 0 HG22 VAL C 9 57.080 -8.720 4.599 1.00 0.00 H new ATOM 0 HG23 VAL C 9 56.773 -9.571 6.131 1.00 0.00 H new ATOM 142 N GLU C 10 56.209 -13.407 3.749 1.00 0.00 N ATOM 143 CA GLU C 10 56.085 -14.712 3.040 1.00 0.00 C ATOM 144 C GLU C 10 54.623 -14.977 2.668 1.00 0.00 C ATOM 145 O GLU C 10 54.331 -15.667 1.711 1.00 0.00 O ATOM 146 CB GLU C 10 56.579 -15.753 4.045 1.00 0.00 C ATOM 147 CG GLU C 10 58.105 -15.836 3.980 1.00 0.00 C ATOM 148 CD GLU C 10 58.616 -16.754 5.092 1.00 0.00 C ATOM 149 OE1 GLU C 10 58.689 -16.300 6.222 1.00 0.00 O ATOM 150 OE2 GLU C 10 58.925 -17.896 4.793 1.00 0.00 O ATOM 0 H GLU C 10 56.796 -13.422 4.583 1.00 0.00 H new ATOM 0 HA GLU C 10 56.656 -14.735 2.112 1.00 0.00 H new ATOM 0 HB2 GLU C 10 56.261 -15.483 5.052 1.00 0.00 H new ATOM 0 HB3 GLU C 10 56.141 -16.726 3.823 1.00 0.00 H new ATOM 0 HG2 GLU C 10 58.418 -16.217 3.008 1.00 0.00 H new ATOM 0 HG3 GLU C 10 58.538 -14.842 4.087 1.00 0.00 H new ATOM 157 N GLN C 11 53.703 -14.436 3.419 1.00 0.00 N ATOM 158 CA GLN C 11 52.260 -14.658 3.110 1.00 0.00 C ATOM 159 C GLN C 11 51.799 -13.701 2.006 1.00 0.00 C ATOM 160 O GLN C 11 50.795 -13.923 1.359 1.00 0.00 O ATOM 161 CB GLN C 11 51.526 -14.362 4.417 1.00 0.00 C ATOM 162 CG GLN C 11 51.127 -15.677 5.089 1.00 0.00 C ATOM 163 CD GLN C 11 51.244 -15.530 6.607 1.00 0.00 C ATOM 164 OE1 GLN C 11 52.140 -16.080 7.215 1.00 0.00 O ATOM 165 NE2 GLN C 11 50.370 -14.804 7.249 1.00 0.00 N ATOM 0 H GLN C 11 53.887 -13.850 4.233 1.00 0.00 H new ATOM 0 HA GLN C 11 52.066 -15.669 2.753 1.00 0.00 H new ATOM 0 HB2 GLN C 11 52.165 -13.781 5.082 1.00 0.00 H new ATOM 0 HB3 GLN C 11 50.640 -13.759 4.220 1.00 0.00 H new ATOM 0 HG2 GLN C 11 50.105 -15.942 4.816 1.00 0.00 H new ATOM 0 HG3 GLN C 11 51.770 -16.485 4.741 1.00 0.00 H new ATOM 0 HE21 GLN C 11 49.617 -14.342 6.739 1.00 0.00 H new ATOM 0 HE22 GLN C 11 50.440 -14.699 8.261 1.00 0.00 H new ATOM 174 N LEU C 12 52.523 -12.639 1.787 1.00 0.00 N ATOM 175 CA LEU C 12 52.122 -11.672 0.726 1.00 0.00 C ATOM 176 C LEU C 12 51.850 -12.414 -0.586 1.00 0.00 C ATOM 177 O LEU C 12 52.686 -13.139 -1.086 1.00 0.00 O ATOM 178 CB LEU C 12 53.316 -10.729 0.575 1.00 0.00 C ATOM 179 CG LEU C 12 53.290 -9.691 1.698 1.00 0.00 C ATOM 180 CD1 LEU C 12 54.613 -8.924 1.716 1.00 0.00 C ATOM 181 CD2 LEU C 12 52.138 -8.713 1.459 1.00 0.00 C ATOM 0 H LEU C 12 53.374 -12.399 2.296 1.00 0.00 H new ATOM 0 HA LEU C 12 51.210 -11.132 0.981 1.00 0.00 H new ATOM 0 HB2 LEU C 12 54.247 -11.295 0.610 1.00 0.00 H new ATOM 0 HB3 LEU C 12 53.281 -10.233 -0.395 1.00 0.00 H new ATOM 0 HG LEU C 12 53.149 -10.194 2.655 1.00 0.00 H new ATOM 0 HD11 LEU C 12 54.594 -8.184 2.516 1.00 0.00 H new ATOM 0 HD12 LEU C 12 55.435 -9.620 1.884 1.00 0.00 H new ATOM 0 HD13 LEU C 12 54.755 -8.420 0.760 1.00 0.00 H new ATOM 0 HD21 LEU C 12 52.118 -7.972 2.258 1.00 0.00 H new ATOM 0 HD22 LEU C 12 52.280 -8.210 0.502 1.00 0.00 H new ATOM 0 HD23 LEU C 12 51.194 -9.258 1.446 1.00 0.00 H new ATOM 193 N THR C 13 50.683 -12.238 -1.144 1.00 0.00 N ATOM 194 CA THR C 13 50.356 -12.935 -2.420 1.00 0.00 C ATOM 195 C THR C 13 50.691 -12.039 -3.614 1.00 0.00 C ATOM 196 O THR C 13 50.681 -10.828 -3.517 1.00 0.00 O ATOM 197 CB THR C 13 48.850 -13.196 -2.354 1.00 0.00 C ATOM 198 OG1 THR C 13 48.231 -12.189 -1.566 1.00 0.00 O ATOM 199 CG2 THR C 13 48.597 -14.566 -1.726 1.00 0.00 C ATOM 0 H THR C 13 49.943 -11.643 -0.772 1.00 0.00 H new ATOM 0 HA THR C 13 50.926 -13.856 -2.544 1.00 0.00 H new ATOM 0 HB THR C 13 48.432 -13.177 -3.360 1.00 0.00 H new ATOM 0 HG1 THR C 13 48.210 -12.474 -0.629 1.00 0.00 H new ATOM 0 HG21 THR C 13 47.524 -14.752 -1.679 1.00 0.00 H new ATOM 0 HG22 THR C 13 49.073 -15.337 -2.332 1.00 0.00 H new ATOM 0 HG23 THR C 13 49.013 -14.587 -0.719 1.00 0.00 H new ATOM 207 N GLU C 14 50.986 -12.624 -4.743 1.00 0.00 N ATOM 208 CA GLU C 14 51.319 -11.804 -5.941 1.00 0.00 C ATOM 209 C GLU C 14 50.336 -10.637 -6.067 1.00 0.00 C ATOM 210 O GLU C 14 50.698 -9.548 -6.466 1.00 0.00 O ATOM 211 CB GLU C 14 51.177 -12.759 -7.126 1.00 0.00 C ATOM 212 CG GLU C 14 52.552 -13.314 -7.505 1.00 0.00 C ATOM 213 CD GLU C 14 52.434 -14.139 -8.786 1.00 0.00 C ATOM 214 OE1 GLU C 14 52.463 -13.549 -9.853 1.00 0.00 O ATOM 215 OE2 GLU C 14 52.316 -15.349 -8.680 1.00 0.00 O ATOM 0 H GLU C 14 51.011 -13.634 -4.887 1.00 0.00 H new ATOM 0 HA GLU C 14 52.319 -11.373 -5.885 1.00 0.00 H new ATOM 0 HB2 GLU C 14 50.502 -13.576 -6.869 1.00 0.00 H new ATOM 0 HB3 GLU C 14 50.737 -12.237 -7.976 1.00 0.00 H new ATOM 0 HG2 GLU C 14 53.258 -12.497 -7.650 1.00 0.00 H new ATOM 0 HG3 GLU C 14 52.942 -13.932 -6.696 1.00 0.00 H new ATOM 222 N GLU C 15 49.095 -10.854 -5.725 1.00 0.00 N ATOM 223 CA GLU C 15 48.092 -9.755 -5.821 1.00 0.00 C ATOM 224 C GLU C 15 48.676 -8.463 -5.243 1.00 0.00 C ATOM 225 O GLU C 15 48.729 -7.444 -5.902 1.00 0.00 O ATOM 226 CB GLU C 15 46.905 -10.228 -4.981 1.00 0.00 C ATOM 227 CG GLU C 15 45.813 -10.774 -5.903 1.00 0.00 C ATOM 228 CD GLU C 15 44.509 -10.012 -5.659 1.00 0.00 C ATOM 229 OE1 GLU C 15 44.087 -9.951 -4.516 1.00 0.00 O ATOM 230 OE2 GLU C 15 43.954 -9.503 -6.619 1.00 0.00 O ATOM 0 H GLU C 15 48.732 -11.744 -5.383 1.00 0.00 H new ATOM 0 HA GLU C 15 47.803 -9.545 -6.851 1.00 0.00 H new ATOM 0 HB2 GLU C 15 47.225 -11.000 -4.282 1.00 0.00 H new ATOM 0 HB3 GLU C 15 46.514 -9.402 -4.386 1.00 0.00 H new ATOM 0 HG2 GLU C 15 46.117 -10.671 -6.945 1.00 0.00 H new ATOM 0 HG3 GLU C 15 45.665 -11.838 -5.718 1.00 0.00 H new ATOM 237 N GLN C 16 49.121 -8.503 -4.018 1.00 0.00 N ATOM 238 CA GLN C 16 49.711 -7.282 -3.396 1.00 0.00 C ATOM 239 C GLN C 16 51.160 -7.132 -3.853 1.00 0.00 C ATOM 240 O GLN C 16 51.560 -6.111 -4.373 1.00 0.00 O ATOM 241 CB GLN C 16 49.658 -7.519 -1.881 1.00 0.00 C ATOM 242 CG GLN C 16 48.400 -8.311 -1.515 1.00 0.00 C ATOM 243 CD GLN C 16 47.744 -7.687 -0.283 1.00 0.00 C ATOM 244 OE1 GLN C 16 48.490 -7.108 0.617 1.00 0.00 O flip ATOM 245 NE2 GLN C 16 46.538 -7.727 -0.139 1.00 0.00 N flip ATOM 0 H GLN C 16 49.102 -9.329 -3.419 1.00 0.00 H new ATOM 0 HA GLN C 16 49.173 -6.376 -3.677 1.00 0.00 H new ATOM 0 HB2 GLN C 16 50.546 -8.063 -1.559 1.00 0.00 H new ATOM 0 HB3 GLN C 16 49.661 -6.564 -1.356 1.00 0.00 H new ATOM 0 HG2 GLN C 16 47.701 -8.311 -2.352 1.00 0.00 H new ATOM 0 HG3 GLN C 16 48.658 -9.351 -1.315 1.00 0.00 H new ATOM 0 HE21 GLN C 16 45.955 -8.180 -0.843 1.00 0.00 H new ATOM 0 HE22 GLN C 16 46.109 -7.308 0.686 1.00 0.00 H new ATOM 254 N LYS C 17 51.946 -8.155 -3.666 1.00 0.00 N ATOM 255 CA LYS C 17 53.372 -8.091 -4.094 1.00 0.00 C ATOM 256 C LYS C 17 53.480 -7.415 -5.464 1.00 0.00 C ATOM 257 O LYS C 17 54.487 -6.823 -5.800 1.00 0.00 O ATOM 258 CB LYS C 17 53.822 -9.550 -4.178 1.00 0.00 C ATOM 259 CG LYS C 17 54.798 -9.850 -3.039 1.00 0.00 C ATOM 260 CD LYS C 17 54.465 -11.213 -2.428 1.00 0.00 C ATOM 261 CE LYS C 17 55.425 -12.269 -2.983 1.00 0.00 C ATOM 262 NZ LYS C 17 55.012 -12.456 -4.401 1.00 0.00 N ATOM 0 H LYS C 17 51.662 -9.035 -3.234 1.00 0.00 H new ATOM 0 HA LYS C 17 53.988 -7.513 -3.405 1.00 0.00 H new ATOM 0 HB2 LYS C 17 52.958 -10.212 -4.115 1.00 0.00 H new ATOM 0 HB3 LYS C 17 54.299 -9.740 -5.139 1.00 0.00 H new ATOM 0 HG2 LYS C 17 55.822 -9.847 -3.413 1.00 0.00 H new ATOM 0 HG3 LYS C 17 54.735 -9.073 -2.277 1.00 0.00 H new ATOM 0 HD2 LYS C 17 54.547 -11.167 -1.342 1.00 0.00 H new ATOM 0 HD3 LYS C 17 53.435 -11.485 -2.659 1.00 0.00 H new ATOM 0 HE2 LYS C 17 56.461 -11.936 -2.914 1.00 0.00 H new ATOM 0 HE3 LYS C 17 55.352 -13.202 -2.424 1.00 0.00 H new ATOM 0 HZ1 LYS C 17 55.440 -13.327 -4.775 1.00 0.00 H new ATOM 0 HZ2 LYS C 17 53.976 -12.528 -4.454 1.00 0.00 H new ATOM 0 HZ3 LYS C 17 55.332 -11.643 -4.966 1.00 0.00 H new ATOM 276 N ASN C 18 52.448 -7.499 -6.259 1.00 0.00 N ATOM 277 CA ASN C 18 52.487 -6.863 -7.607 1.00 0.00 C ATOM 278 C ASN C 18 52.561 -5.339 -7.475 1.00 0.00 C ATOM 279 O ASN C 18 53.234 -4.676 -8.238 1.00 0.00 O ATOM 280 CB ASN C 18 51.180 -7.281 -8.281 1.00 0.00 C ATOM 281 CG ASN C 18 51.391 -8.595 -9.035 1.00 0.00 C ATOM 282 OD1 ASN C 18 50.527 -9.562 -8.891 1.00 0.00 O flip ATOM 283 ND2 ASN C 18 52.353 -8.742 -9.762 1.00 0.00 N flip ATOM 0 H ASN C 18 51.578 -7.981 -6.033 1.00 0.00 H new ATOM 0 HA ASN C 18 53.359 -7.172 -8.183 1.00 0.00 H new ATOM 0 HB2 ASN C 18 50.395 -7.400 -7.534 1.00 0.00 H new ATOM 0 HB3 ASN C 18 50.849 -6.504 -8.970 1.00 0.00 H new ATOM 0 HD21 ASN C 18 53.028 -7.985 -9.874 1.00 0.00 H new ATOM 0 HD22 ASN C 18 52.486 -9.622 -10.260 1.00 0.00 H new ATOM 290 N GLU C 19 51.875 -4.778 -6.516 1.00 0.00 N ATOM 291 CA GLU C 19 51.915 -3.295 -6.350 1.00 0.00 C ATOM 292 C GLU C 19 53.189 -2.882 -5.602 1.00 0.00 C ATOM 293 O GLU C 19 53.786 -1.864 -5.893 1.00 0.00 O ATOM 294 CB GLU C 19 50.655 -2.944 -5.545 1.00 0.00 C ATOM 295 CG GLU C 19 50.913 -3.123 -4.046 1.00 0.00 C ATOM 296 CD GLU C 19 49.587 -3.027 -3.286 1.00 0.00 C ATOM 297 OE1 GLU C 19 49.128 -1.916 -3.076 1.00 0.00 O ATOM 298 OE2 GLU C 19 49.056 -4.064 -2.927 1.00 0.00 O ATOM 0 H GLU C 19 51.292 -5.277 -5.844 1.00 0.00 H new ATOM 0 HA GLU C 19 51.933 -2.769 -7.305 1.00 0.00 H new ATOM 0 HB2 GLU C 19 50.360 -1.915 -5.749 1.00 0.00 H new ATOM 0 HB3 GLU C 19 49.827 -3.581 -5.857 1.00 0.00 H new ATOM 0 HG2 GLU C 19 51.382 -4.089 -3.859 1.00 0.00 H new ATOM 0 HG3 GLU C 19 51.604 -2.359 -3.691 1.00 0.00 H new ATOM 305 N PHE C 20 53.612 -3.667 -4.649 1.00 0.00 N ATOM 306 CA PHE C 20 54.851 -3.318 -3.895 1.00 0.00 C ATOM 307 C PHE C 20 56.076 -3.502 -4.795 1.00 0.00 C ATOM 308 O PHE C 20 56.939 -2.650 -4.868 1.00 0.00 O ATOM 309 CB PHE C 20 54.899 -4.295 -2.719 1.00 0.00 C ATOM 310 CG PHE C 20 53.742 -4.030 -1.786 1.00 0.00 C ATOM 311 CD1 PHE C 20 53.337 -2.715 -1.524 1.00 0.00 C ATOM 312 CD2 PHE C 20 53.071 -5.102 -1.182 1.00 0.00 C ATOM 313 CE1 PHE C 20 52.265 -2.472 -0.658 1.00 0.00 C ATOM 314 CE2 PHE C 20 51.998 -4.857 -0.316 1.00 0.00 C ATOM 315 CZ PHE C 20 51.596 -3.542 -0.054 1.00 0.00 C ATOM 0 H PHE C 20 53.156 -4.532 -4.360 1.00 0.00 H new ATOM 0 HA PHE C 20 54.850 -2.282 -3.556 1.00 0.00 H new ATOM 0 HB2 PHE C 20 54.855 -5.321 -3.085 1.00 0.00 H new ATOM 0 HB3 PHE C 20 55.842 -4.187 -2.183 1.00 0.00 H new ATOM 0 HD1 PHE C 20 53.852 -1.888 -1.990 1.00 0.00 H new ATOM 0 HD2 PHE C 20 53.381 -6.117 -1.384 1.00 0.00 H new ATOM 0 HE1 PHE C 20 51.954 -1.458 -0.456 1.00 0.00 H new ATOM 0 HE2 PHE C 20 51.481 -5.683 0.150 1.00 0.00 H new ATOM 0 HZ PHE C 20 50.769 -3.353 0.615 1.00 0.00 H new ATOM 325 N LYS C 21 56.155 -4.608 -5.482 1.00 0.00 N ATOM 326 CA LYS C 21 57.321 -4.846 -6.380 1.00 0.00 C ATOM 327 C LYS C 21 57.578 -3.606 -7.239 1.00 0.00 C ATOM 328 O LYS C 21 58.692 -3.336 -7.642 1.00 0.00 O ATOM 329 CB LYS C 21 56.916 -6.036 -7.252 1.00 0.00 C ATOM 330 CG LYS C 21 55.895 -5.583 -8.296 1.00 0.00 C ATOM 331 CD LYS C 21 56.629 -5.106 -9.550 1.00 0.00 C ATOM 332 CE LYS C 21 56.727 -6.257 -10.553 1.00 0.00 C ATOM 333 NZ LYS C 21 57.330 -5.653 -11.775 1.00 0.00 N ATOM 0 H LYS C 21 55.463 -5.357 -5.461 1.00 0.00 H new ATOM 0 HA LYS C 21 58.239 -5.047 -5.828 1.00 0.00 H new ATOM 0 HB2 LYS C 21 57.794 -6.454 -7.745 1.00 0.00 H new ATOM 0 HB3 LYS C 21 56.492 -6.826 -6.632 1.00 0.00 H new ATOM 0 HG2 LYS C 21 55.223 -6.405 -8.545 1.00 0.00 H new ATOM 0 HG3 LYS C 21 55.279 -4.779 -7.894 1.00 0.00 H new ATOM 0 HD2 LYS C 21 56.099 -4.265 -9.997 1.00 0.00 H new ATOM 0 HD3 LYS C 21 57.626 -4.752 -9.288 1.00 0.00 H new ATOM 0 HE2 LYS C 21 57.346 -7.066 -10.166 1.00 0.00 H new ATOM 0 HE3 LYS C 21 55.745 -6.680 -10.765 1.00 0.00 H new ATOM 0 HZ1 LYS C 21 57.429 -6.382 -12.510 1.00 0.00 H new ATOM 0 HZ2 LYS C 21 56.715 -4.890 -12.125 1.00 0.00 H new ATOM 0 HZ3 LYS C 21 58.267 -5.264 -11.544 1.00 0.00 H new ATOM 347 N ALA C 22 56.553 -2.848 -7.518 1.00 0.00 N ATOM 348 CA ALA C 22 56.733 -1.622 -8.344 1.00 0.00 C ATOM 349 C ALA C 22 57.527 -0.576 -7.558 1.00 0.00 C ATOM 350 O ALA C 22 58.630 -0.218 -7.918 1.00 0.00 O ATOM 351 CB ALA C 22 55.316 -1.123 -8.626 1.00 0.00 C ATOM 0 H ALA C 22 55.597 -3.026 -7.209 1.00 0.00 H new ATOM 0 HA ALA C 22 57.284 -1.816 -9.264 1.00 0.00 H new ATOM 0 HB1 ALA C 22 55.363 -0.218 -9.232 1.00 0.00 H new ATOM 0 HB2 ALA C 22 54.760 -1.891 -9.163 1.00 0.00 H new ATOM 0 HB3 ALA C 22 54.814 -0.903 -7.684 1.00 0.00 H new ATOM 357 N ALA C 23 56.977 -0.090 -6.479 1.00 0.00 N ATOM 358 CA ALA C 23 57.704 0.926 -5.666 1.00 0.00 C ATOM 359 C ALA C 23 59.138 0.455 -5.410 1.00 0.00 C ATOM 360 O ALA C 23 60.049 1.248 -5.276 1.00 0.00 O ATOM 361 CB ALA C 23 56.923 1.016 -4.355 1.00 0.00 C ATOM 0 H ALA C 23 56.057 -0.352 -6.126 1.00 0.00 H new ATOM 0 HA ALA C 23 57.768 1.893 -6.164 1.00 0.00 H new ATOM 0 HB1 ALA C 23 57.397 1.746 -3.699 1.00 0.00 H new ATOM 0 HB2 ALA C 23 55.898 1.325 -4.562 1.00 0.00 H new ATOM 0 HB3 ALA C 23 56.916 0.041 -3.868 1.00 0.00 H new ATOM 367 N PHE C 24 59.343 -0.832 -5.348 1.00 0.00 N ATOM 368 CA PHE C 24 60.717 -1.360 -5.108 1.00 0.00 C ATOM 369 C PHE C 24 61.578 -1.166 -6.359 1.00 0.00 C ATOM 370 O PHE C 24 62.699 -0.704 -6.288 1.00 0.00 O ATOM 371 CB PHE C 24 60.521 -2.848 -4.814 1.00 0.00 C ATOM 372 CG PHE C 24 61.865 -3.513 -4.646 1.00 0.00 C ATOM 373 CD1 PHE C 24 62.795 -2.992 -3.738 1.00 0.00 C ATOM 374 CD2 PHE C 24 62.182 -4.652 -5.395 1.00 0.00 C ATOM 375 CE1 PHE C 24 64.042 -3.609 -3.582 1.00 0.00 C ATOM 376 CE2 PHE C 24 63.429 -5.270 -5.238 1.00 0.00 C ATOM 377 CZ PHE C 24 64.358 -4.749 -4.331 1.00 0.00 C ATOM 0 H PHE C 24 58.618 -1.542 -5.453 1.00 0.00 H new ATOM 0 HA PHE C 24 61.224 -0.848 -4.290 1.00 0.00 H new ATOM 0 HB2 PHE C 24 59.926 -2.975 -3.910 1.00 0.00 H new ATOM 0 HB3 PHE C 24 59.970 -3.320 -5.627 1.00 0.00 H new ATOM 0 HD1 PHE C 24 62.550 -2.114 -3.158 1.00 0.00 H new ATOM 0 HD2 PHE C 24 61.464 -5.055 -6.095 1.00 0.00 H new ATOM 0 HE1 PHE C 24 64.760 -3.206 -2.884 1.00 0.00 H new ATOM 0 HE2 PHE C 24 63.673 -6.148 -5.817 1.00 0.00 H new ATOM 0 HZ PHE C 24 65.319 -5.226 -4.209 1.00 0.00 H new ATOM 387 N ASP C 25 61.057 -1.511 -7.505 1.00 0.00 N ATOM 388 CA ASP C 25 61.840 -1.343 -8.761 1.00 0.00 C ATOM 389 C ASP C 25 62.294 0.111 -8.906 1.00 0.00 C ATOM 390 O ASP C 25 63.358 0.392 -9.423 1.00 0.00 O ATOM 391 CB ASP C 25 60.870 -1.710 -9.885 1.00 0.00 C ATOM 392 CG ASP C 25 61.650 -1.926 -11.183 1.00 0.00 C ATOM 393 OD1 ASP C 25 62.856 -1.741 -11.164 1.00 0.00 O ATOM 394 OD2 ASP C 25 61.028 -2.272 -12.174 1.00 0.00 O ATOM 0 H ASP C 25 60.123 -1.902 -7.625 1.00 0.00 H new ATOM 0 HA ASP C 25 62.736 -1.963 -8.775 1.00 0.00 H new ATOM 0 HB2 ASP C 25 60.320 -2.614 -9.624 1.00 0.00 H new ATOM 0 HB3 ASP C 25 60.134 -0.917 -10.018 1.00 0.00 H new ATOM 399 N ILE C 26 61.495 1.036 -8.451 1.00 0.00 N ATOM 400 CA ILE C 26 61.876 2.473 -8.561 1.00 0.00 C ATOM 401 C ILE C 26 62.867 2.845 -7.456 1.00 0.00 C ATOM 402 O ILE C 26 63.844 3.528 -7.688 1.00 0.00 O ATOM 403 CB ILE C 26 60.567 3.242 -8.386 1.00 0.00 C ATOM 404 CG1 ILE C 26 59.696 3.058 -9.630 1.00 0.00 C ATOM 405 CG2 ILE C 26 60.870 4.727 -8.190 1.00 0.00 C ATOM 406 CD1 ILE C 26 58.777 1.850 -9.437 1.00 0.00 C ATOM 0 H ILE C 26 60.594 0.859 -8.007 1.00 0.00 H new ATOM 0 HA ILE C 26 62.361 2.700 -9.511 1.00 0.00 H new ATOM 0 HB ILE C 26 60.037 2.862 -7.513 1.00 0.00 H new ATOM 0 HG12 ILE C 26 59.102 3.955 -9.807 1.00 0.00 H new ATOM 0 HG13 ILE C 26 60.325 2.913 -10.509 1.00 0.00 H new ATOM 0 HG21 ILE C 26 59.936 5.275 -8.065 1.00 0.00 H new ATOM 0 HG22 ILE C 26 61.489 4.858 -7.303 1.00 0.00 H new ATOM 0 HG23 ILE C 26 61.401 5.108 -9.062 1.00 0.00 H new ATOM 0 HD11 ILE C 26 58.157 1.719 -10.324 1.00 0.00 H new ATOM 0 HD12 ILE C 26 59.380 0.955 -9.281 1.00 0.00 H new ATOM 0 HD13 ILE C 26 58.139 2.013 -8.569 1.00 0.00 H new ATOM 418 N PHE C 27 62.621 2.404 -6.252 1.00 0.00 N ATOM 419 CA PHE C 27 63.546 2.738 -5.132 1.00 0.00 C ATOM 420 C PHE C 27 64.960 2.239 -5.440 1.00 0.00 C ATOM 421 O PHE C 27 65.921 2.659 -4.830 1.00 0.00 O ATOM 422 CB PHE C 27 62.975 2.010 -3.914 1.00 0.00 C ATOM 423 CG PHE C 27 62.136 2.968 -3.103 1.00 0.00 C ATOM 424 CD1 PHE C 27 61.090 3.674 -3.710 1.00 0.00 C ATOM 425 CD2 PHE C 27 62.405 3.151 -1.741 1.00 0.00 C ATOM 426 CE1 PHE C 27 60.313 4.561 -2.956 1.00 0.00 C ATOM 427 CE2 PHE C 27 61.628 4.039 -0.987 1.00 0.00 C ATOM 428 CZ PHE C 27 60.582 4.744 -1.594 1.00 0.00 C ATOM 0 H PHE C 27 61.820 1.827 -5.996 1.00 0.00 H new ATOM 0 HA PHE C 27 63.620 3.813 -4.968 1.00 0.00 H new ATOM 0 HB2 PHE C 27 62.370 1.162 -4.234 1.00 0.00 H new ATOM 0 HB3 PHE C 27 63.785 1.611 -3.303 1.00 0.00 H new ATOM 0 HD1 PHE C 27 60.883 3.534 -4.761 1.00 0.00 H new ATOM 0 HD2 PHE C 27 63.212 2.607 -1.272 1.00 0.00 H new ATOM 0 HE1 PHE C 27 59.506 5.104 -3.425 1.00 0.00 H new ATOM 0 HE2 PHE C 27 61.836 4.180 0.063 1.00 0.00 H new ATOM 0 HZ PHE C 27 59.983 5.429 -1.012 1.00 0.00 H new ATOM 438 N VAL C 28 65.097 1.342 -6.378 1.00 0.00 N ATOM 439 CA VAL C 28 66.448 0.817 -6.717 1.00 0.00 C ATOM 440 C VAL C 28 66.733 1.023 -8.207 1.00 0.00 C ATOM 441 O VAL C 28 67.595 0.386 -8.777 1.00 0.00 O ATOM 442 CB VAL C 28 66.378 -0.674 -6.395 1.00 0.00 C ATOM 443 CG1 VAL C 28 65.870 -0.872 -4.965 1.00 0.00 C ATOM 444 CG2 VAL C 28 65.423 -1.357 -7.377 1.00 0.00 C ATOM 0 H VAL C 28 64.330 0.950 -6.924 1.00 0.00 H new ATOM 0 HA VAL C 28 67.240 1.322 -6.165 1.00 0.00 H new ATOM 0 HB VAL C 28 67.372 -1.112 -6.485 1.00 0.00 H new ATOM 0 HG11 VAL C 28 65.822 -1.937 -4.740 1.00 0.00 H new ATOM 0 HG12 VAL C 28 66.550 -0.384 -4.267 1.00 0.00 H new ATOM 0 HG13 VAL C 28 64.876 -0.436 -4.868 1.00 0.00 H new ATOM 0 HG21 VAL C 28 65.369 -2.422 -7.151 1.00 0.00 H new ATOM 0 HG22 VAL C 28 64.430 -0.916 -7.285 1.00 0.00 H new ATOM 0 HG23 VAL C 28 65.788 -1.220 -8.395 1.00 0.00 H new ATOM 454 N LEU C 29 66.011 1.905 -8.841 1.00 0.00 N ATOM 455 CA LEU C 29 66.238 2.144 -10.295 1.00 0.00 C ATOM 456 C LEU C 29 67.692 2.553 -10.549 1.00 0.00 C ATOM 457 O LEU C 29 68.163 2.535 -11.669 1.00 0.00 O ATOM 458 CB LEU C 29 65.288 3.284 -10.663 1.00 0.00 C ATOM 459 CG LEU C 29 64.744 3.058 -12.074 1.00 0.00 C ATOM 460 CD1 LEU C 29 63.364 3.705 -12.199 1.00 0.00 C ATOM 461 CD2 LEU C 29 65.695 3.688 -13.093 1.00 0.00 C ATOM 0 H LEU C 29 65.275 2.470 -8.417 1.00 0.00 H new ATOM 0 HA LEU C 29 66.054 1.250 -10.891 1.00 0.00 H new ATOM 0 HB2 LEU C 29 64.466 3.332 -9.948 1.00 0.00 H new ATOM 0 HB3 LEU C 29 65.811 4.239 -10.612 1.00 0.00 H new ATOM 0 HG LEU C 29 64.662 1.988 -12.264 1.00 0.00 H new ATOM 0 HD11 LEU C 29 62.976 3.544 -13.205 1.00 0.00 H new ATOM 0 HD12 LEU C 29 62.685 3.258 -11.473 1.00 0.00 H new ATOM 0 HD13 LEU C 29 63.445 4.775 -12.009 1.00 0.00 H new ATOM 0 HD21 LEU C 29 65.308 3.527 -14.099 1.00 0.00 H new ATOM 0 HD22 LEU C 29 65.776 4.758 -12.902 1.00 0.00 H new ATOM 0 HD23 LEU C 29 66.679 3.228 -13.005 1.00 0.00 H new ATOM 473 N GLY C 30 68.407 2.923 -9.521 1.00 0.00 N ATOM 474 CA GLY C 30 69.828 3.332 -9.714 1.00 0.00 C ATOM 475 C GLY C 30 70.750 2.361 -8.973 1.00 0.00 C ATOM 476 O GLY C 30 71.949 2.545 -8.926 1.00 0.00 O ATOM 0 H GLY C 30 68.070 2.960 -8.559 1.00 0.00 H new ATOM 0 HA2 GLY C 30 70.073 3.342 -10.776 1.00 0.00 H new ATOM 0 HA3 GLY C 30 69.978 4.346 -9.343 1.00 0.00 H new ATOM 480 N ALA C 31 70.201 1.328 -8.395 1.00 0.00 N ATOM 481 CA ALA C 31 71.053 0.349 -7.660 1.00 0.00 C ATOM 482 C ALA C 31 71.467 -0.795 -8.589 1.00 0.00 C ATOM 483 O ALA C 31 70.652 -1.361 -9.292 1.00 0.00 O ATOM 484 CB ALA C 31 70.170 -0.174 -6.526 1.00 0.00 C ATOM 0 H ALA C 31 69.203 1.119 -8.399 1.00 0.00 H new ATOM 0 HA ALA C 31 71.971 0.802 -7.285 1.00 0.00 H new ATOM 0 HB1 ALA C 31 70.728 -0.902 -5.937 1.00 0.00 H new ATOM 0 HB2 ALA C 31 69.869 0.656 -5.887 1.00 0.00 H new ATOM 0 HB3 ALA C 31 69.283 -0.649 -6.945 1.00 0.00 H new ATOM 490 N GLU C 32 72.725 -1.139 -8.598 1.00 0.00 N ATOM 491 CA GLU C 32 73.191 -2.247 -9.482 1.00 0.00 C ATOM 492 C GLU C 32 73.061 -3.589 -8.755 1.00 0.00 C ATOM 493 O GLU C 32 73.051 -4.639 -9.368 1.00 0.00 O ATOM 494 CB GLU C 32 74.659 -1.934 -9.771 1.00 0.00 C ATOM 495 CG GLU C 32 74.959 -2.199 -11.247 1.00 0.00 C ATOM 496 CD GLU C 32 75.760 -3.495 -11.381 1.00 0.00 C ATOM 497 OE1 GLU C 32 76.341 -3.914 -10.393 1.00 0.00 O ATOM 498 OE2 GLU C 32 75.778 -4.047 -12.468 1.00 0.00 O ATOM 0 H GLU C 32 73.452 -0.701 -8.032 1.00 0.00 H new ATOM 0 HA GLU C 32 72.604 -2.321 -10.397 1.00 0.00 H new ATOM 0 HB2 GLU C 32 74.874 -0.894 -9.527 1.00 0.00 H new ATOM 0 HB3 GLU C 32 75.303 -2.549 -9.142 1.00 0.00 H new ATOM 0 HG2 GLU C 32 74.029 -2.274 -11.810 1.00 0.00 H new ATOM 0 HG3 GLU C 32 75.521 -1.366 -11.670 1.00 0.00 H new ATOM 505 N ASP C 33 72.963 -3.562 -7.454 1.00 0.00 N ATOM 506 CA ASP C 33 72.836 -4.836 -6.688 1.00 0.00 C ATOM 507 C ASP C 33 71.360 -5.210 -6.529 1.00 0.00 C ATOM 508 O ASP C 33 71.026 -6.339 -6.225 1.00 0.00 O ATOM 509 CB ASP C 33 73.463 -4.542 -5.325 1.00 0.00 C ATOM 510 CG ASP C 33 74.751 -5.354 -5.169 1.00 0.00 C ATOM 511 OD1 ASP C 33 75.767 -4.922 -5.687 1.00 0.00 O ATOM 512 OD2 ASP C 33 74.697 -6.394 -4.533 1.00 0.00 O ATOM 0 H ASP C 33 72.965 -2.714 -6.888 1.00 0.00 H new ATOM 0 HA ASP C 33 73.324 -5.671 -7.190 1.00 0.00 H new ATOM 0 HB2 ASP C 33 73.679 -3.477 -5.234 1.00 0.00 H new ATOM 0 HB3 ASP C 33 72.763 -4.795 -4.529 1.00 0.00 H new ATOM 517 N GLY C 34 70.475 -4.273 -6.730 1.00 0.00 N ATOM 518 CA GLY C 34 69.022 -4.578 -6.589 1.00 0.00 C ATOM 519 C GLY C 34 68.565 -4.246 -5.168 1.00 0.00 C ATOM 520 O GLY C 34 67.609 -4.805 -4.668 1.00 0.00 O ATOM 0 H GLY C 34 70.694 -3.310 -6.986 1.00 0.00 H new ATOM 0 HA2 GLY C 34 68.447 -3.999 -7.312 1.00 0.00 H new ATOM 0 HA3 GLY C 34 68.838 -5.631 -6.805 1.00 0.00 H new ATOM 524 N CYS C 35 69.240 -3.343 -4.512 1.00 0.00 N ATOM 525 CA CYS C 35 68.841 -2.977 -3.122 1.00 0.00 C ATOM 526 C CYS C 35 68.656 -1.461 -3.007 1.00 0.00 C ATOM 527 O CYS C 35 68.837 -0.731 -3.961 1.00 0.00 O ATOM 528 CB CYS C 35 69.998 -3.445 -2.241 1.00 0.00 C ATOM 529 SG CYS C 35 70.140 -5.246 -2.335 1.00 0.00 S ATOM 0 H CYS C 35 70.050 -2.842 -4.877 1.00 0.00 H new ATOM 0 HA CYS C 35 67.896 -3.435 -2.829 1.00 0.00 H new ATOM 0 HB2 CYS C 35 70.928 -2.979 -2.566 1.00 0.00 H new ATOM 0 HB3 CYS C 35 69.831 -3.136 -1.209 1.00 0.00 H new ATOM 0 HG CYS C 35 71.126 -5.643 -1.587 1.00 0.00 H new ATOM 535 N ILE C 36 68.298 -0.985 -1.847 1.00 0.00 N ATOM 536 CA ILE C 36 68.103 0.484 -1.673 1.00 0.00 C ATOM 537 C ILE C 36 69.145 1.045 -0.700 1.00 0.00 C ATOM 538 O ILE C 36 69.728 0.324 0.085 1.00 0.00 O ATOM 539 CB ILE C 36 66.695 0.633 -1.095 1.00 0.00 C ATOM 540 CG1 ILE C 36 65.688 -0.058 -2.016 1.00 0.00 C ATOM 541 CG2 ILE C 36 66.345 2.118 -0.984 1.00 0.00 C ATOM 542 CD1 ILE C 36 64.330 -0.142 -1.314 1.00 0.00 C ATOM 0 H ILE C 36 68.132 -1.547 -1.012 1.00 0.00 H new ATOM 0 HA ILE C 36 68.218 1.029 -2.610 1.00 0.00 H new ATOM 0 HB ILE C 36 66.658 0.174 -0.107 1.00 0.00 H new ATOM 0 HG12 ILE C 36 65.593 0.496 -2.950 1.00 0.00 H new ATOM 0 HG13 ILE C 36 66.039 -1.057 -2.272 1.00 0.00 H new ATOM 0 HG21 ILE C 36 65.342 2.226 -0.572 1.00 0.00 H new ATOM 0 HG22 ILE C 36 67.061 2.613 -0.328 1.00 0.00 H new ATOM 0 HG23 ILE C 36 66.382 2.575 -1.973 1.00 0.00 H new ATOM 0 HD11 ILE C 36 63.611 -0.634 -1.969 1.00 0.00 H new ATOM 0 HD12 ILE C 36 64.432 -0.715 -0.392 1.00 0.00 H new ATOM 0 HD13 ILE C 36 63.979 0.863 -1.080 1.00 0.00 H new ATOM 554 N SER C 37 69.384 2.326 -0.751 1.00 0.00 N ATOM 555 CA SER C 37 70.389 2.940 0.164 1.00 0.00 C ATOM 556 C SER C 37 70.120 4.435 0.305 1.00 0.00 C ATOM 557 O SER C 37 71.027 5.235 0.389 1.00 0.00 O ATOM 558 CB SER C 37 71.723 2.717 -0.526 1.00 0.00 C ATOM 559 OG SER C 37 72.632 2.109 0.383 1.00 0.00 O ATOM 0 H SER C 37 68.926 2.977 -1.389 1.00 0.00 H new ATOM 0 HA SER C 37 70.360 2.508 1.164 1.00 0.00 H new ATOM 0 HB2 SER C 37 71.590 2.083 -1.402 1.00 0.00 H new ATOM 0 HB3 SER C 37 72.125 3.667 -0.878 1.00 0.00 H new ATOM 0 HG SER C 37 73.492 1.964 -0.063 1.00 0.00 H new ATOM 565 N THR C 38 68.874 4.804 0.311 1.00 0.00 N ATOM 566 CA THR C 38 68.491 6.248 0.427 1.00 0.00 C ATOM 567 C THR C 38 68.814 6.972 -0.882 1.00 0.00 C ATOM 568 O THR C 38 67.962 7.602 -1.477 1.00 0.00 O ATOM 569 CB THR C 38 69.303 6.840 1.593 1.00 0.00 C ATOM 570 OG1 THR C 38 70.543 7.339 1.108 1.00 0.00 O ATOM 571 CG2 THR C 38 69.554 5.777 2.668 1.00 0.00 C ATOM 0 H THR C 38 68.086 4.160 0.240 1.00 0.00 H new ATOM 0 HA THR C 38 67.423 6.362 0.615 1.00 0.00 H new ATOM 0 HB THR C 38 68.733 7.655 2.038 1.00 0.00 H new ATOM 0 HG1 THR C 38 71.161 6.593 0.962 1.00 0.00 H new ATOM 0 HG21 THR C 38 70.129 6.214 3.484 1.00 0.00 H new ATOM 0 HG22 THR C 38 68.600 5.414 3.050 1.00 0.00 H new ATOM 0 HG23 THR C 38 70.111 4.946 2.235 1.00 0.00 H new ATOM 579 N LYS C 39 70.031 6.878 -1.346 1.00 0.00 N ATOM 580 CA LYS C 39 70.384 7.552 -2.627 1.00 0.00 C ATOM 581 C LYS C 39 69.304 7.250 -3.669 1.00 0.00 C ATOM 582 O LYS C 39 68.873 8.116 -4.405 1.00 0.00 O ATOM 583 CB LYS C 39 71.724 6.946 -3.044 1.00 0.00 C ATOM 584 CG LYS C 39 72.650 8.053 -3.551 1.00 0.00 C ATOM 585 CD LYS C 39 74.028 7.905 -2.903 1.00 0.00 C ATOM 586 CE LYS C 39 75.036 7.428 -3.950 1.00 0.00 C ATOM 587 NZ LYS C 39 75.390 8.647 -4.729 1.00 0.00 N ATOM 0 H LYS C 39 70.791 6.367 -0.897 1.00 0.00 H new ATOM 0 HA LYS C 39 70.452 8.636 -2.530 1.00 0.00 H new ATOM 0 HB2 LYS C 39 72.182 6.433 -2.198 1.00 0.00 H new ATOM 0 HB3 LYS C 39 71.571 6.200 -3.824 1.00 0.00 H new ATOM 0 HG2 LYS C 39 72.739 7.998 -4.636 1.00 0.00 H new ATOM 0 HG3 LYS C 39 72.229 9.030 -3.315 1.00 0.00 H new ATOM 0 HD2 LYS C 39 74.348 8.858 -2.483 1.00 0.00 H new ATOM 0 HD3 LYS C 39 73.979 7.193 -2.079 1.00 0.00 H new ATOM 0 HE2 LYS C 39 75.917 6.991 -3.479 1.00 0.00 H new ATOM 0 HE3 LYS C 39 74.604 6.661 -4.593 1.00 0.00 H new ATOM 0 HZ1 LYS C 39 75.332 8.438 -5.746 1.00 0.00 H new ATOM 0 HZ2 LYS C 39 74.727 9.413 -4.495 1.00 0.00 H new ATOM 0 HZ3 LYS C 39 76.358 8.942 -4.491 1.00 0.00 H new ATOM 601 N GLU C 40 68.854 6.025 -3.723 1.00 0.00 N ATOM 602 CA GLU C 40 67.788 5.659 -4.700 1.00 0.00 C ATOM 603 C GLU C 40 66.413 5.876 -4.066 1.00 0.00 C ATOM 604 O GLU C 40 65.425 6.075 -4.745 1.00 0.00 O ATOM 605 CB GLU C 40 67.996 4.170 -4.987 1.00 0.00 C ATOM 606 CG GLU C 40 69.479 3.879 -5.217 1.00 0.00 C ATOM 607 CD GLU C 40 69.948 4.582 -6.491 1.00 0.00 C ATOM 608 OE1 GLU C 40 69.111 5.149 -7.174 1.00 0.00 O ATOM 609 OE2 GLU C 40 71.137 4.539 -6.763 1.00 0.00 O ATOM 0 H GLU C 40 69.179 5.260 -3.131 1.00 0.00 H new ATOM 0 HA GLU C 40 67.838 6.261 -5.607 1.00 0.00 H new ATOM 0 HB2 GLU C 40 67.627 3.576 -4.151 1.00 0.00 H new ATOM 0 HB3 GLU C 40 67.420 3.877 -5.865 1.00 0.00 H new ATOM 0 HG2 GLU C 40 70.064 4.222 -4.364 1.00 0.00 H new ATOM 0 HG3 GLU C 40 69.640 2.804 -5.302 1.00 0.00 H new ATOM 616 N LEU C 41 66.347 5.823 -2.765 1.00 0.00 N ATOM 617 CA LEU C 41 65.043 6.007 -2.066 1.00 0.00 C ATOM 618 C LEU C 41 64.704 7.500 -1.947 1.00 0.00 C ATOM 619 O LEU C 41 63.654 7.941 -2.372 1.00 0.00 O ATOM 620 CB LEU C 41 65.262 5.346 -0.691 1.00 0.00 C ATOM 621 CG LEU C 41 64.655 6.190 0.437 1.00 0.00 C ATOM 622 CD1 LEU C 41 63.174 6.438 0.150 1.00 0.00 C ATOM 623 CD2 LEU C 41 64.797 5.440 1.763 1.00 0.00 C ATOM 0 H LEU C 41 67.145 5.659 -2.151 1.00 0.00 H new ATOM 0 HA LEU C 41 64.201 5.563 -2.596 1.00 0.00 H new ATOM 0 HB2 LEU C 41 64.813 4.353 -0.687 1.00 0.00 H new ATOM 0 HB3 LEU C 41 66.329 5.214 -0.515 1.00 0.00 H new ATOM 0 HG LEU C 41 65.177 7.145 0.498 1.00 0.00 H new ATOM 0 HD11 LEU C 41 62.743 7.038 0.952 1.00 0.00 H new ATOM 0 HD12 LEU C 41 63.071 6.969 -0.796 1.00 0.00 H new ATOM 0 HD13 LEU C 41 62.650 5.484 0.089 1.00 0.00 H new ATOM 0 HD21 LEU C 41 64.367 6.037 2.567 1.00 0.00 H new ATOM 0 HD22 LEU C 41 64.273 4.486 1.699 1.00 0.00 H new ATOM 0 HD23 LEU C 41 65.852 5.262 1.969 1.00 0.00 H new ATOM 635 N GLY C 42 65.576 8.278 -1.368 1.00 0.00 N ATOM 636 CA GLY C 42 65.289 9.734 -1.220 1.00 0.00 C ATOM 637 C GLY C 42 64.793 10.305 -2.549 1.00 0.00 C ATOM 638 O GLY C 42 64.099 11.301 -2.585 1.00 0.00 O ATOM 0 H GLY C 42 66.473 7.971 -0.992 1.00 0.00 H new ATOM 0 HA2 GLY C 42 64.538 9.888 -0.445 1.00 0.00 H new ATOM 0 HA3 GLY C 42 66.189 10.260 -0.901 1.00 0.00 H new ATOM 642 N LYS C 43 65.139 9.684 -3.642 1.00 0.00 N ATOM 643 CA LYS C 43 64.679 10.199 -4.963 1.00 0.00 C ATOM 644 C LYS C 43 63.153 10.124 -5.054 1.00 0.00 C ATOM 645 O LYS C 43 62.522 10.902 -5.741 1.00 0.00 O ATOM 646 CB LYS C 43 65.328 9.279 -5.998 1.00 0.00 C ATOM 647 CG LYS C 43 66.251 10.099 -6.900 1.00 0.00 C ATOM 648 CD LYS C 43 67.134 9.159 -7.717 1.00 0.00 C ATOM 649 CE LYS C 43 66.697 9.197 -9.185 1.00 0.00 C ATOM 650 NZ LYS C 43 67.965 9.275 -9.961 1.00 0.00 N ATOM 0 H LYS C 43 65.718 8.845 -3.679 1.00 0.00 H new ATOM 0 HA LYS C 43 64.955 11.242 -5.120 1.00 0.00 H new ATOM 0 HB2 LYS C 43 65.894 8.493 -5.498 1.00 0.00 H new ATOM 0 HB3 LYS C 43 64.560 8.787 -6.596 1.00 0.00 H new ATOM 0 HG2 LYS C 43 65.661 10.730 -7.565 1.00 0.00 H new ATOM 0 HG3 LYS C 43 66.870 10.763 -6.297 1.00 0.00 H new ATOM 0 HD2 LYS C 43 68.179 9.456 -7.629 1.00 0.00 H new ATOM 0 HD3 LYS C 43 67.058 8.143 -7.330 1.00 0.00 H new ATOM 0 HE2 LYS C 43 66.126 8.307 -9.450 1.00 0.00 H new ATOM 0 HE3 LYS C 43 66.058 10.057 -9.385 1.00 0.00 H new ATOM 0 HZ1 LYS C 43 67.748 9.305 -10.978 1.00 0.00 H new ATOM 0 HZ2 LYS C 43 68.484 10.135 -9.692 1.00 0.00 H new ATOM 0 HZ3 LYS C 43 68.550 8.440 -9.756 1.00 0.00 H new ATOM 664 N VAL C 44 62.554 9.190 -4.364 1.00 0.00 N ATOM 665 CA VAL C 44 61.072 9.066 -4.411 1.00 0.00 C ATOM 666 C VAL C 44 60.427 9.985 -3.370 1.00 0.00 C ATOM 667 O VAL C 44 59.324 10.464 -3.552 1.00 0.00 O ATOM 668 CB VAL C 44 60.789 7.601 -4.088 1.00 0.00 C ATOM 669 CG1 VAL C 44 59.289 7.407 -3.876 1.00 0.00 C ATOM 670 CG2 VAL C 44 61.256 6.726 -5.253 1.00 0.00 C ATOM 0 H VAL C 44 63.028 8.509 -3.771 1.00 0.00 H new ATOM 0 HA VAL C 44 60.664 9.356 -5.379 1.00 0.00 H new ATOM 0 HB VAL C 44 61.323 7.318 -3.181 1.00 0.00 H new ATOM 0 HG11 VAL C 44 59.086 6.361 -3.645 1.00 0.00 H new ATOM 0 HG12 VAL C 44 58.955 8.032 -3.048 1.00 0.00 H new ATOM 0 HG13 VAL C 44 58.754 7.689 -4.783 1.00 0.00 H new ATOM 0 HG21 VAL C 44 61.055 5.679 -5.025 1.00 0.00 H new ATOM 0 HG22 VAL C 44 60.720 7.010 -6.159 1.00 0.00 H new ATOM 0 HG23 VAL C 44 62.326 6.865 -5.406 1.00 0.00 H new ATOM 680 N MET C 45 61.101 10.238 -2.280 1.00 0.00 N ATOM 681 CA MET C 45 60.515 11.129 -1.238 1.00 0.00 C ATOM 682 C MET C 45 60.007 12.421 -1.879 1.00 0.00 C ATOM 683 O MET C 45 58.858 12.787 -1.728 1.00 0.00 O ATOM 684 CB MET C 45 61.660 11.416 -0.266 1.00 0.00 C ATOM 685 CG MET C 45 62.164 10.100 0.333 1.00 0.00 C ATOM 686 SD MET C 45 60.765 9.155 0.990 1.00 0.00 S ATOM 687 CE MET C 45 60.367 8.249 -0.526 1.00 0.00 C ATOM 0 H MET C 45 62.027 9.868 -2.067 1.00 0.00 H new ATOM 0 HA MET C 45 59.665 10.672 -0.731 1.00 0.00 H new ATOM 0 HB2 MET C 45 62.472 11.926 -0.784 1.00 0.00 H new ATOM 0 HB3 MET C 45 61.320 12.082 0.527 1.00 0.00 H new ATOM 0 HG2 MET C 45 62.683 9.518 -0.428 1.00 0.00 H new ATOM 0 HG3 MET C 45 62.884 10.302 1.126 1.00 0.00 H new ATOM 0 HE1 MET C 45 60.074 7.230 -0.274 1.00 0.00 H new ATOM 0 HE2 MET C 45 59.545 8.746 -1.042 1.00 0.00 H new ATOM 0 HE3 MET C 45 61.242 8.225 -1.176 1.00 0.00 H new ATOM 697 N ARG C 46 60.844 13.115 -2.602 1.00 0.00 N ATOM 698 CA ARG C 46 60.382 14.374 -3.252 1.00 0.00 C ATOM 699 C ARG C 46 59.072 14.107 -3.997 1.00 0.00 C ATOM 700 O ARG C 46 58.159 14.909 -3.979 1.00 0.00 O ATOM 701 CB ARG C 46 61.497 14.763 -4.224 1.00 0.00 C ATOM 702 CG ARG C 46 61.741 13.624 -5.216 1.00 0.00 C ATOM 703 CD ARG C 46 63.192 13.672 -5.697 1.00 0.00 C ATOM 704 NE ARG C 46 63.263 14.859 -6.593 1.00 0.00 N ATOM 705 CZ ARG C 46 63.025 14.730 -7.869 1.00 0.00 C ATOM 706 NH1 ARG C 46 63.675 13.839 -8.568 1.00 0.00 N ATOM 707 NH2 ARG C 46 62.138 15.492 -8.447 1.00 0.00 N ATOM 0 H ARG C 46 61.819 12.867 -2.770 1.00 0.00 H new ATOM 0 HA ARG C 46 60.191 15.173 -2.535 1.00 0.00 H new ATOM 0 HB2 ARG C 46 61.224 15.672 -4.760 1.00 0.00 H new ATOM 0 HB3 ARG C 46 62.412 14.980 -3.674 1.00 0.00 H new ATOM 0 HG2 ARG C 46 61.535 12.664 -4.743 1.00 0.00 H new ATOM 0 HG3 ARG C 46 61.062 13.714 -6.064 1.00 0.00 H new ATOM 0 HD2 ARG C 46 63.882 13.768 -4.859 1.00 0.00 H new ATOM 0 HD3 ARG C 46 63.462 12.760 -6.229 1.00 0.00 H new ATOM 0 HE ARG C 46 63.498 15.774 -6.209 1.00 0.00 H new ATOM 0 HH11 ARG C 46 64.369 13.244 -8.116 1.00 0.00 H new ATOM 0 HH12 ARG C 46 63.489 13.738 -9.566 1.00 0.00 H new ATOM 0 HH21 ARG C 46 61.631 16.189 -7.901 1.00 0.00 H new ATOM 0 HH22 ARG C 46 61.952 15.391 -9.445 1.00 0.00 H new ATOM 721 N MET C 47 58.966 12.973 -4.639 1.00 0.00 N ATOM 722 CA MET C 47 57.708 12.642 -5.367 1.00 0.00 C ATOM 723 C MET C 47 56.619 12.279 -4.357 1.00 0.00 C ATOM 724 O MET C 47 55.462 12.609 -4.525 1.00 0.00 O ATOM 725 CB MET C 47 58.054 11.433 -6.237 1.00 0.00 C ATOM 726 CG MET C 47 59.192 11.793 -7.194 1.00 0.00 C ATOM 727 SD MET C 47 60.062 10.286 -7.694 1.00 0.00 S ATOM 728 CE MET C 47 58.640 9.427 -8.413 1.00 0.00 C ATOM 0 H MET C 47 59.696 12.263 -4.690 1.00 0.00 H new ATOM 0 HA MET C 47 57.338 13.474 -5.966 1.00 0.00 H new ATOM 0 HB2 MET C 47 58.348 10.593 -5.608 1.00 0.00 H new ATOM 0 HB3 MET C 47 57.177 11.117 -6.802 1.00 0.00 H new ATOM 0 HG2 MET C 47 58.795 12.304 -8.071 1.00 0.00 H new ATOM 0 HG3 MET C 47 59.884 12.481 -6.710 1.00 0.00 H new ATOM 0 HE1 MET C 47 58.988 8.581 -9.005 1.00 0.00 H new ATOM 0 HE2 MET C 47 57.990 9.069 -7.615 1.00 0.00 H new ATOM 0 HE3 MET C 47 58.085 10.114 -9.052 1.00 0.00 H new ATOM 738 N LEU C 48 56.989 11.603 -3.303 1.00 0.00 N ATOM 739 CA LEU C 48 55.991 11.214 -2.268 1.00 0.00 C ATOM 740 C LEU C 48 55.364 12.463 -1.646 1.00 0.00 C ATOM 741 O LEU C 48 54.284 12.417 -1.093 1.00 0.00 O ATOM 742 CB LEU C 48 56.802 10.446 -1.221 1.00 0.00 C ATOM 743 CG LEU C 48 56.320 8.996 -1.141 1.00 0.00 C ATOM 744 CD1 LEU C 48 54.999 8.942 -0.377 1.00 0.00 C ATOM 745 CD2 LEU C 48 56.118 8.437 -2.553 1.00 0.00 C ATOM 0 H LEU C 48 57.945 11.302 -3.114 1.00 0.00 H new ATOM 0 HA LEU C 48 55.175 10.619 -2.677 1.00 0.00 H new ATOM 0 HB2 LEU C 48 57.861 10.472 -1.479 1.00 0.00 H new ATOM 0 HB3 LEU C 48 56.700 10.925 -0.247 1.00 0.00 H new ATOM 0 HG LEU C 48 57.067 8.396 -0.622 1.00 0.00 H new ATOM 0 HD11 LEU C 48 54.654 7.910 -0.319 1.00 0.00 H new ATOM 0 HD12 LEU C 48 55.145 9.333 0.630 1.00 0.00 H new ATOM 0 HD13 LEU C 48 54.254 9.545 -0.896 1.00 0.00 H new ATOM 0 HD21 LEU C 48 55.775 7.404 -2.490 1.00 0.00 H new ATOM 0 HD22 LEU C 48 55.373 9.035 -3.078 1.00 0.00 H new ATOM 0 HD23 LEU C 48 57.062 8.473 -3.097 1.00 0.00 H new ATOM 757 N GLY C 49 56.038 13.576 -1.728 1.00 0.00 N ATOM 758 CA GLY C 49 55.486 14.827 -1.139 1.00 0.00 C ATOM 759 C GLY C 49 56.341 15.241 0.059 1.00 0.00 C ATOM 760 O GLY C 49 55.897 15.961 0.932 1.00 0.00 O ATOM 0 H GLY C 49 56.948 13.673 -2.178 1.00 0.00 H new ATOM 0 HA2 GLY C 49 55.477 15.621 -1.886 1.00 0.00 H new ATOM 0 HA3 GLY C 49 54.453 14.671 -0.827 1.00 0.00 H new ATOM 764 N GLN C 50 57.565 14.789 0.111 1.00 0.00 N ATOM 765 CA GLN C 50 58.449 15.155 1.255 1.00 0.00 C ATOM 766 C GLN C 50 59.913 15.174 0.806 1.00 0.00 C ATOM 767 O GLN C 50 60.215 15.362 -0.355 1.00 0.00 O ATOM 768 CB GLN C 50 58.223 14.058 2.296 1.00 0.00 C ATOM 769 CG GLN C 50 57.740 14.682 3.605 1.00 0.00 C ATOM 770 CD GLN C 50 57.622 13.593 4.674 1.00 0.00 C ATOM 771 OE1 GLN C 50 58.602 13.218 5.287 1.00 0.00 O ATOM 772 NE2 GLN C 50 56.456 13.064 4.924 1.00 0.00 N ATOM 0 H GLN C 50 57.991 14.182 -0.589 1.00 0.00 H new ATOM 0 HA GLN C 50 58.224 16.146 1.651 1.00 0.00 H new ATOM 0 HB2 GLN C 50 57.487 13.342 1.930 1.00 0.00 H new ATOM 0 HB3 GLN C 50 59.148 13.507 2.464 1.00 0.00 H new ATOM 0 HG2 GLN C 50 58.437 15.454 3.932 1.00 0.00 H new ATOM 0 HG3 GLN C 50 56.775 15.166 3.456 1.00 0.00 H new ATOM 0 HE21 GLN C 50 55.633 13.378 4.410 1.00 0.00 H new ATOM 0 HE22 GLN C 50 56.368 12.336 5.633 1.00 0.00 H new ATOM 781 N ASN C 51 60.825 14.978 1.720 1.00 0.00 N ATOM 782 CA ASN C 51 62.270 14.983 1.347 1.00 0.00 C ATOM 783 C ASN C 51 63.137 14.852 2.602 1.00 0.00 C ATOM 784 O ASN C 51 63.643 15.831 3.112 1.00 0.00 O ATOM 785 CB ASN C 51 62.503 16.335 0.673 1.00 0.00 C ATOM 786 CG ASN C 51 63.231 16.124 -0.656 1.00 0.00 C ATOM 787 OD1 ASN C 51 62.971 15.167 -1.358 1.00 0.00 O ATOM 788 ND2 ASN C 51 64.140 16.981 -1.033 1.00 0.00 N ATOM 0 H ASN C 51 60.633 14.815 2.708 1.00 0.00 H new ATOM 0 HA ASN C 51 62.530 14.153 0.691 1.00 0.00 H new ATOM 0 HB2 ASN C 51 61.551 16.837 0.502 1.00 0.00 H new ATOM 0 HB3 ASN C 51 63.092 16.981 1.324 1.00 0.00 H new ATOM 0 HD21 ASN C 51 64.632 16.847 -1.917 1.00 0.00 H new ATOM 0 HD22 ASN C 51 64.359 17.785 -0.444 1.00 0.00 H new ATOM 795 N PRO C 52 63.275 13.637 3.060 1.00 0.00 N ATOM 796 CA PRO C 52 64.086 13.364 4.271 1.00 0.00 C ATOM 797 C PRO C 52 65.581 13.503 3.962 1.00 0.00 C ATOM 798 O PRO C 52 66.100 12.868 3.067 1.00 0.00 O ATOM 799 CB PRO C 52 63.734 11.922 4.621 1.00 0.00 C ATOM 800 CG PRO C 52 63.288 11.307 3.332 1.00 0.00 C ATOM 801 CD PRO C 52 62.693 12.413 2.496 1.00 0.00 C ATOM 0 HA PRO C 52 63.882 14.058 5.087 1.00 0.00 H new ATOM 0 HB2 PRO C 52 64.595 11.395 5.033 1.00 0.00 H new ATOM 0 HB3 PRO C 52 62.945 11.880 5.372 1.00 0.00 H new ATOM 0 HG2 PRO C 52 64.128 10.843 2.815 1.00 0.00 H new ATOM 0 HG3 PRO C 52 62.553 10.523 3.513 1.00 0.00 H new ATOM 0 HD2 PRO C 52 62.948 12.298 1.443 1.00 0.00 H new ATOM 0 HD3 PRO C 52 61.605 12.422 2.561 1.00 0.00 H new ATOM 809 N THR C 53 66.272 14.326 4.701 1.00 0.00 N ATOM 810 CA THR C 53 67.732 14.505 4.454 1.00 0.00 C ATOM 811 C THR C 53 68.439 13.146 4.471 1.00 0.00 C ATOM 812 O THR C 53 67.821 12.129 4.715 1.00 0.00 O ATOM 813 CB THR C 53 68.225 15.382 5.608 1.00 0.00 C ATOM 814 OG1 THR C 53 67.232 15.435 6.623 1.00 0.00 O ATOM 815 CG2 THR C 53 68.506 16.794 5.092 1.00 0.00 C ATOM 0 H THR C 53 65.890 14.883 5.465 1.00 0.00 H new ATOM 0 HA THR C 53 67.936 14.958 3.484 1.00 0.00 H new ATOM 0 HB THR C 53 69.141 14.958 6.020 1.00 0.00 H new ATOM 0 HG1 THR C 53 67.549 15.995 7.362 1.00 0.00 H new ATOM 0 HG21 THR C 53 68.857 17.418 5.914 1.00 0.00 H new ATOM 0 HG22 THR C 53 69.270 16.752 4.316 1.00 0.00 H new ATOM 0 HG23 THR C 53 67.591 17.219 4.678 1.00 0.00 H new ATOM 823 N PRO C 54 69.718 13.178 4.211 1.00 0.00 N ATOM 824 CA PRO C 54 70.522 11.931 4.197 1.00 0.00 C ATOM 825 C PRO C 54 70.697 11.394 5.621 1.00 0.00 C ATOM 826 O PRO C 54 70.641 10.204 5.857 1.00 0.00 O ATOM 827 CB PRO C 54 71.859 12.373 3.608 1.00 0.00 C ATOM 828 CG PRO C 54 71.943 13.837 3.898 1.00 0.00 C ATOM 829 CD PRO C 54 70.531 14.362 3.910 1.00 0.00 C ATOM 0 HA PRO C 54 70.059 11.126 3.626 1.00 0.00 H new ATOM 0 HB2 PRO C 54 72.689 11.832 4.063 1.00 0.00 H new ATOM 0 HB3 PRO C 54 71.902 12.180 2.536 1.00 0.00 H new ATOM 0 HG2 PRO C 54 72.429 14.013 4.858 1.00 0.00 H new ATOM 0 HG3 PRO C 54 72.538 14.347 3.141 1.00 0.00 H new ATOM 0 HD2 PRO C 54 70.400 15.139 4.663 1.00 0.00 H new ATOM 0 HD3 PRO C 54 70.259 14.800 2.950 1.00 0.00 H new ATOM 837 N GLU C 55 70.905 12.265 6.570 1.00 0.00 N ATOM 838 CA GLU C 55 71.078 11.803 7.977 1.00 0.00 C ATOM 839 C GLU C 55 69.770 11.196 8.493 1.00 0.00 C ATOM 840 O GLU C 55 69.771 10.280 9.292 1.00 0.00 O ATOM 841 CB GLU C 55 71.435 13.065 8.766 1.00 0.00 C ATOM 842 CG GLU C 55 72.804 13.582 8.316 1.00 0.00 C ATOM 843 CD GLU C 55 72.716 15.082 8.025 1.00 0.00 C ATOM 844 OE1 GLU C 55 71.675 15.658 8.295 1.00 0.00 O ATOM 845 OE2 GLU C 55 73.692 15.629 7.540 1.00 0.00 O ATOM 0 H GLU C 55 70.963 13.274 6.433 1.00 0.00 H new ATOM 0 HA GLU C 55 71.845 11.035 8.072 1.00 0.00 H new ATOM 0 HB2 GLU C 55 70.676 13.831 8.609 1.00 0.00 H new ATOM 0 HB3 GLU C 55 71.451 12.846 9.834 1.00 0.00 H new ATOM 0 HG2 GLU C 55 73.547 13.395 9.091 1.00 0.00 H new ATOM 0 HG3 GLU C 55 73.131 13.047 7.424 1.00 0.00 H new ATOM 852 N GLU C 56 68.654 11.702 8.043 1.00 0.00 N ATOM 853 CA GLU C 56 67.345 11.154 8.507 1.00 0.00 C ATOM 854 C GLU C 56 66.876 10.030 7.577 1.00 0.00 C ATOM 855 O GLU C 56 66.082 9.192 7.953 1.00 0.00 O ATOM 856 CB GLU C 56 66.379 12.337 8.444 1.00 0.00 C ATOM 857 CG GLU C 56 65.015 11.912 8.989 1.00 0.00 C ATOM 858 CD GLU C 56 64.039 11.715 7.828 1.00 0.00 C ATOM 859 OE1 GLU C 56 63.614 12.709 7.263 1.00 0.00 O ATOM 860 OE2 GLU C 56 63.733 10.574 7.523 1.00 0.00 O ATOM 0 H GLU C 56 68.591 12.470 7.375 1.00 0.00 H new ATOM 0 HA GLU C 56 67.409 10.728 9.508 1.00 0.00 H new ATOM 0 HB2 GLU C 56 66.771 13.171 9.026 1.00 0.00 H new ATOM 0 HB3 GLU C 56 66.279 12.684 7.416 1.00 0.00 H new ATOM 0 HG2 GLU C 56 65.111 10.987 9.558 1.00 0.00 H new ATOM 0 HG3 GLU C 56 64.633 12.669 9.674 1.00 0.00 H new ATOM 867 N LEU C 57 67.355 10.010 6.364 1.00 0.00 N ATOM 868 CA LEU C 57 66.930 8.944 5.410 1.00 0.00 C ATOM 869 C LEU C 57 67.212 7.554 5.990 1.00 0.00 C ATOM 870 O LEU C 57 66.306 6.790 6.257 1.00 0.00 O ATOM 871 CB LEU C 57 67.769 9.181 4.154 1.00 0.00 C ATOM 872 CG LEU C 57 66.848 9.491 2.974 1.00 0.00 C ATOM 873 CD1 LEU C 57 67.687 9.709 1.714 1.00 0.00 C ATOM 874 CD2 LEU C 57 65.893 8.316 2.750 1.00 0.00 C ATOM 0 H LEU C 57 68.022 10.685 5.991 1.00 0.00 H new ATOM 0 HA LEU C 57 65.860 8.984 5.204 1.00 0.00 H new ATOM 0 HB2 LEU C 57 68.460 10.008 4.316 1.00 0.00 H new ATOM 0 HB3 LEU C 57 68.373 8.300 3.936 1.00 0.00 H new ATOM 0 HG LEU C 57 66.274 10.392 3.190 1.00 0.00 H new ATOM 0 HD11 LEU C 57 67.030 9.930 0.873 1.00 0.00 H new ATOM 0 HD12 LEU C 57 68.369 10.545 1.871 1.00 0.00 H new ATOM 0 HD13 LEU C 57 68.261 8.808 1.499 1.00 0.00 H new ATOM 0 HD21 LEU C 57 65.236 8.536 1.909 1.00 0.00 H new ATOM 0 HD22 LEU C 57 66.468 7.415 2.535 1.00 0.00 H new ATOM 0 HD23 LEU C 57 65.294 8.158 3.647 1.00 0.00 H new ATOM 886 N GLN C 58 68.461 7.220 6.178 1.00 0.00 N ATOM 887 CA GLN C 58 68.806 5.879 6.732 1.00 0.00 C ATOM 888 C GLN C 58 67.830 5.480 7.844 1.00 0.00 C ATOM 889 O GLN C 58 67.567 4.314 8.060 1.00 0.00 O ATOM 890 CB GLN C 58 70.219 6.040 7.291 1.00 0.00 C ATOM 891 CG GLN C 58 71.113 4.934 6.734 1.00 0.00 C ATOM 892 CD GLN C 58 71.539 5.286 5.308 1.00 0.00 C ATOM 893 OE1 GLN C 58 71.670 6.445 4.970 1.00 0.00 O ATOM 894 NE2 GLN C 58 71.762 4.327 4.450 1.00 0.00 N ATOM 0 H GLN C 58 69.259 7.820 5.971 1.00 0.00 H new ATOM 0 HA GLN C 58 68.747 5.097 5.975 1.00 0.00 H new ATOM 0 HB2 GLN C 58 70.620 7.017 7.021 1.00 0.00 H new ATOM 0 HB3 GLN C 58 70.199 5.993 8.380 1.00 0.00 H new ATOM 0 HG2 GLN C 58 71.992 4.810 7.367 1.00 0.00 H new ATOM 0 HG3 GLN C 58 70.579 3.984 6.740 1.00 0.00 H new ATOM 0 HE21 GLN C 58 71.652 3.353 4.733 1.00 0.00 H new ATOM 0 HE22 GLN C 58 72.046 4.552 3.496 1.00 0.00 H new ATOM 903 N GLU C 59 67.290 6.435 8.550 1.00 0.00 N ATOM 904 CA GLU C 59 66.333 6.098 9.644 1.00 0.00 C ATOM 905 C GLU C 59 65.256 5.143 9.126 1.00 0.00 C ATOM 906 O GLU C 59 64.831 4.237 9.817 1.00 0.00 O ATOM 907 CB GLU C 59 65.711 7.433 10.055 1.00 0.00 C ATOM 908 CG GLU C 59 64.793 7.218 11.260 1.00 0.00 C ATOM 909 CD GLU C 59 63.376 6.912 10.772 1.00 0.00 C ATOM 910 OE1 GLU C 59 63.121 7.106 9.595 1.00 0.00 O ATOM 911 OE2 GLU C 59 62.570 6.489 11.584 1.00 0.00 O ATOM 0 H GLU C 59 67.468 7.431 8.418 1.00 0.00 H new ATOM 0 HA GLU C 59 66.823 5.603 10.482 1.00 0.00 H new ATOM 0 HB2 GLU C 59 66.494 8.150 10.304 1.00 0.00 H new ATOM 0 HB3 GLU C 59 65.145 7.854 9.224 1.00 0.00 H new ATOM 0 HG2 GLU C 59 65.164 6.396 11.872 1.00 0.00 H new ATOM 0 HG3 GLU C 59 64.788 8.107 11.890 1.00 0.00 H new ATOM 918 N MET C 60 64.809 5.337 7.916 1.00 0.00 N ATOM 919 CA MET C 60 63.757 4.439 7.355 1.00 0.00 C ATOM 920 C MET C 60 64.355 3.072 7.009 1.00 0.00 C ATOM 921 O MET C 60 63.733 2.047 7.199 1.00 0.00 O ATOM 922 CB MET C 60 63.265 5.149 6.092 1.00 0.00 C ATOM 923 CG MET C 60 62.093 6.066 6.447 1.00 0.00 C ATOM 924 SD MET C 60 62.406 7.724 5.795 1.00 0.00 S ATOM 925 CE MET C 60 60.693 8.133 5.377 1.00 0.00 C ATOM 0 H MET C 60 65.126 6.078 7.291 1.00 0.00 H new ATOM 0 HA MET C 60 62.947 4.258 8.062 1.00 0.00 H new ATOM 0 HB2 MET C 60 64.074 5.730 5.650 1.00 0.00 H new ATOM 0 HB3 MET C 60 62.955 4.416 5.347 1.00 0.00 H new ATOM 0 HG2 MET C 60 61.167 5.669 6.031 1.00 0.00 H new ATOM 0 HG3 MET C 60 61.964 6.107 7.529 1.00 0.00 H new ATOM 0 HE1 MET C 60 60.652 9.135 4.950 1.00 0.00 H new ATOM 0 HE2 MET C 60 60.314 7.413 4.651 1.00 0.00 H new ATOM 0 HE3 MET C 60 60.080 8.097 6.278 1.00 0.00 H new ATOM 935 N ILE C 61 65.558 3.052 6.503 1.00 0.00 N ATOM 936 CA ILE C 61 66.196 1.750 6.147 1.00 0.00 C ATOM 937 C ILE C 61 66.529 0.961 7.417 1.00 0.00 C ATOM 938 O ILE C 61 66.559 -0.254 7.414 1.00 0.00 O ATOM 939 CB ILE C 61 67.473 2.133 5.391 1.00 0.00 C ATOM 940 CG1 ILE C 61 67.125 2.462 3.938 1.00 0.00 C ATOM 941 CG2 ILE C 61 68.465 0.967 5.420 1.00 0.00 C ATOM 942 CD1 ILE C 61 66.853 3.960 3.803 1.00 0.00 C ATOM 0 H ILE C 61 66.127 3.879 6.321 1.00 0.00 H new ATOM 0 HA ILE C 61 65.544 1.115 5.546 1.00 0.00 H new ATOM 0 HB ILE C 61 67.924 3.003 5.869 1.00 0.00 H new ATOM 0 HG12 ILE C 61 67.945 2.170 3.282 1.00 0.00 H new ATOM 0 HG13 ILE C 61 66.249 1.893 3.625 1.00 0.00 H new ATOM 0 HG21 ILE C 61 69.370 1.246 4.881 1.00 0.00 H new ATOM 0 HG22 ILE C 61 68.717 0.729 6.453 1.00 0.00 H new ATOM 0 HG23 ILE C 61 68.015 0.095 4.946 1.00 0.00 H new ATOM 0 HD11 ILE C 61 66.605 4.193 2.767 1.00 0.00 H new ATOM 0 HD12 ILE C 61 66.019 4.238 4.447 1.00 0.00 H new ATOM 0 HD13 ILE C 61 67.741 4.519 4.098 1.00 0.00 H new ATOM 954 N ASP C 62 66.783 1.641 8.501 1.00 0.00 N ATOM 955 CA ASP C 62 67.117 0.929 9.767 1.00 0.00 C ATOM 956 C ASP C 62 65.847 0.385 10.425 1.00 0.00 C ATOM 957 O ASP C 62 65.885 -0.567 11.177 1.00 0.00 O ATOM 958 CB ASP C 62 67.769 1.989 10.655 1.00 0.00 C ATOM 959 CG ASP C 62 69.191 2.264 10.165 1.00 0.00 C ATOM 960 OD1 ASP C 62 70.073 1.493 10.505 1.00 0.00 O ATOM 961 OD2 ASP C 62 69.373 3.241 9.456 1.00 0.00 O ATOM 0 H ASP C 62 66.774 2.659 8.565 1.00 0.00 H new ATOM 0 HA ASP C 62 67.774 0.076 9.598 1.00 0.00 H new ATOM 0 HB2 ASP C 62 67.182 2.907 10.633 1.00 0.00 H new ATOM 0 HB3 ASP C 62 67.790 1.648 11.690 1.00 0.00 H new ATOM 966 N GLU C 63 64.720 0.984 10.150 1.00 0.00 N ATOM 967 CA GLU C 63 63.450 0.501 10.764 1.00 0.00 C ATOM 968 C GLU C 63 63.160 -0.938 10.325 1.00 0.00 C ATOM 969 O GLU C 63 62.507 -1.688 11.023 1.00 0.00 O ATOM 970 CB GLU C 63 62.371 1.447 10.239 1.00 0.00 C ATOM 971 CG GLU C 63 62.017 2.469 11.321 1.00 0.00 C ATOM 972 CD GLU C 63 60.546 2.867 11.187 1.00 0.00 C ATOM 973 OE1 GLU C 63 59.936 2.482 10.203 1.00 0.00 O ATOM 974 OE2 GLU C 63 60.055 3.551 12.070 1.00 0.00 O ATOM 0 H GLU C 63 64.624 1.786 9.527 1.00 0.00 H new ATOM 0 HA GLU C 63 63.496 0.497 11.853 1.00 0.00 H new ATOM 0 HB2 GLU C 63 62.725 1.958 9.343 1.00 0.00 H new ATOM 0 HB3 GLU C 63 61.484 0.881 9.954 1.00 0.00 H new ATOM 0 HG2 GLU C 63 62.202 2.047 12.309 1.00 0.00 H new ATOM 0 HG3 GLU C 63 62.653 3.349 11.226 1.00 0.00 H new ATOM 981 N VAL C 64 63.635 -1.328 9.174 1.00 0.00 N ATOM 982 CA VAL C 64 63.378 -2.719 8.697 1.00 0.00 C ATOM 983 C VAL C 64 64.680 -3.370 8.223 1.00 0.00 C ATOM 984 O VAL C 64 64.748 -3.931 7.148 1.00 0.00 O ATOM 985 CB VAL C 64 62.400 -2.563 7.533 1.00 0.00 C ATOM 986 CG1 VAL C 64 61.014 -2.206 8.075 1.00 0.00 C ATOM 987 CG2 VAL C 64 62.887 -1.449 6.603 1.00 0.00 C ATOM 0 H VAL C 64 64.188 -0.747 8.544 1.00 0.00 H new ATOM 0 HA VAL C 64 62.977 -3.357 9.485 1.00 0.00 H new ATOM 0 HB VAL C 64 62.343 -3.500 6.979 1.00 0.00 H new ATOM 0 HG11 VAL C 64 60.316 -2.095 7.245 1.00 0.00 H new ATOM 0 HG12 VAL C 64 60.667 -2.999 8.737 1.00 0.00 H new ATOM 0 HG13 VAL C 64 61.070 -1.269 8.630 1.00 0.00 H new ATOM 0 HG21 VAL C 64 62.190 -1.337 5.773 1.00 0.00 H new ATOM 0 HG22 VAL C 64 62.945 -0.512 7.157 1.00 0.00 H new ATOM 0 HG23 VAL C 64 63.874 -1.703 6.216 1.00 0.00 H new ATOM 997 N ASP C 65 65.713 -3.304 9.020 1.00 0.00 N ATOM 998 CA ASP C 65 67.008 -3.924 8.617 1.00 0.00 C ATOM 999 C ASP C 65 67.434 -4.970 9.650 1.00 0.00 C ATOM 1000 O ASP C 65 67.847 -4.642 10.746 1.00 0.00 O ATOM 1001 CB ASP C 65 68.007 -2.767 8.575 1.00 0.00 C ATOM 1002 CG ASP C 65 68.785 -2.813 7.259 1.00 0.00 C ATOM 1003 OD1 ASP C 65 68.208 -3.232 6.268 1.00 0.00 O ATOM 1004 OD2 ASP C 65 69.943 -2.431 7.264 1.00 0.00 O ATOM 0 H ASP C 65 65.716 -2.848 9.932 1.00 0.00 H new ATOM 0 HA ASP C 65 66.942 -4.436 7.657 1.00 0.00 H new ATOM 0 HB2 ASP C 65 67.482 -1.816 8.667 1.00 0.00 H new ATOM 0 HB3 ASP C 65 68.694 -2.835 9.419 1.00 0.00 H new ATOM 1009 N GLU C 66 67.332 -6.227 9.313 1.00 0.00 N ATOM 1010 CA GLU C 66 67.726 -7.294 10.279 1.00 0.00 C ATOM 1011 C GLU C 66 69.238 -7.528 10.227 1.00 0.00 C ATOM 1012 O GLU C 66 69.746 -8.484 10.780 1.00 0.00 O ATOM 1013 CB GLU C 66 66.974 -8.541 9.816 1.00 0.00 C ATOM 1014 CG GLU C 66 65.556 -8.525 10.391 1.00 0.00 C ATOM 1015 CD GLU C 66 64.589 -7.962 9.348 1.00 0.00 C ATOM 1016 OE1 GLU C 66 64.487 -6.750 9.256 1.00 0.00 O ATOM 1017 OE2 GLU C 66 63.967 -8.754 8.658 1.00 0.00 O ATOM 0 H GLU C 66 66.993 -6.562 8.411 1.00 0.00 H new ATOM 0 HA GLU C 66 67.484 -7.029 11.308 1.00 0.00 H new ATOM 0 HB2 GLU C 66 66.936 -8.572 8.727 1.00 0.00 H new ATOM 0 HB3 GLU C 66 67.500 -9.438 10.142 1.00 0.00 H new ATOM 0 HG2 GLU C 66 65.255 -9.534 10.674 1.00 0.00 H new ATOM 0 HG3 GLU C 66 65.526 -7.918 11.296 1.00 0.00 H new ATOM 1024 N ASP C 67 69.963 -6.666 9.568 1.00 0.00 N ATOM 1025 CA ASP C 67 71.441 -6.847 9.488 1.00 0.00 C ATOM 1026 C ASP C 67 72.149 -5.497 9.625 1.00 0.00 C ATOM 1027 O ASP C 67 73.346 -5.393 9.448 1.00 0.00 O ATOM 1028 CB ASP C 67 71.693 -7.447 8.103 1.00 0.00 C ATOM 1029 CG ASP C 67 70.897 -6.665 7.056 1.00 0.00 C ATOM 1030 OD1 ASP C 67 70.773 -5.462 7.212 1.00 0.00 O ATOM 1031 OD2 ASP C 67 70.426 -7.284 6.115 1.00 0.00 O ATOM 0 H ASP C 67 69.598 -5.847 9.083 1.00 0.00 H new ATOM 0 HA ASP C 67 71.822 -7.486 10.285 1.00 0.00 H new ATOM 0 HB2 ASP C 67 72.757 -7.412 7.868 1.00 0.00 H new ATOM 0 HB3 ASP C 67 71.398 -8.496 8.090 1.00 0.00 H new ATOM 1036 N GLY C 68 71.418 -4.464 9.942 1.00 0.00 N ATOM 1037 CA GLY C 68 72.049 -3.122 10.092 1.00 0.00 C ATOM 1038 C GLY C 68 73.028 -2.884 8.941 1.00 0.00 C ATOM 1039 O GLY C 68 74.177 -2.547 9.151 1.00 0.00 O ATOM 0 H GLY C 68 70.411 -4.491 10.104 1.00 0.00 H new ATOM 0 HA2 GLY C 68 71.282 -2.347 10.097 1.00 0.00 H new ATOM 0 HA3 GLY C 68 72.572 -3.059 11.046 1.00 0.00 H new ATOM 1043 N SER C 69 72.585 -3.057 7.726 1.00 0.00 N ATOM 1044 CA SER C 69 73.496 -2.841 6.564 1.00 0.00 C ATOM 1045 C SER C 69 73.236 -1.471 5.934 1.00 0.00 C ATOM 1046 O SER C 69 74.026 -0.976 5.155 1.00 0.00 O ATOM 1047 CB SER C 69 73.151 -3.957 5.579 1.00 0.00 C ATOM 1048 OG SER C 69 71.790 -3.833 5.188 1.00 0.00 O ATOM 0 H SER C 69 71.634 -3.338 7.487 1.00 0.00 H new ATOM 0 HA SER C 69 74.547 -2.862 6.854 1.00 0.00 H new ATOM 0 HB2 SER C 69 73.799 -3.900 4.705 1.00 0.00 H new ATOM 0 HB3 SER C 69 73.322 -4.930 6.039 1.00 0.00 H new ATOM 0 HG SER C 69 71.733 -3.309 4.362 1.00 0.00 H new ATOM 1054 N GLY C 70 72.136 -0.853 6.263 1.00 0.00 N ATOM 1055 CA GLY C 70 71.831 0.485 5.681 1.00 0.00 C ATOM 1056 C GLY C 70 71.245 0.311 4.280 1.00 0.00 C ATOM 1057 O GLY C 70 71.298 1.207 3.460 1.00 0.00 O ATOM 0 H GLY C 70 71.435 -1.216 6.909 1.00 0.00 H new ATOM 0 HA2 GLY C 70 71.125 1.018 6.318 1.00 0.00 H new ATOM 0 HA3 GLY C 70 72.738 1.088 5.635 1.00 0.00 H new ATOM 1061 N THR C 71 70.684 -0.833 3.998 1.00 0.00 N ATOM 1062 CA THR C 71 70.094 -1.058 2.646 1.00 0.00 C ATOM 1063 C THR C 71 68.814 -1.889 2.759 1.00 0.00 C ATOM 1064 O THR C 71 68.638 -2.653 3.686 1.00 0.00 O ATOM 1065 CB THR C 71 71.162 -1.825 1.865 1.00 0.00 C ATOM 1066 OG1 THR C 71 71.770 -2.787 2.718 1.00 0.00 O ATOM 1067 CG2 THR C 71 72.222 -0.850 1.352 1.00 0.00 C ATOM 0 H THR C 71 70.608 -1.620 4.642 1.00 0.00 H new ATOM 0 HA THR C 71 69.825 -0.123 2.155 1.00 0.00 H new ATOM 0 HB THR C 71 70.700 -2.331 1.017 1.00 0.00 H new ATOM 0 HG1 THR C 71 72.454 -3.281 2.219 1.00 0.00 H new ATOM 0 HG21 THR C 71 72.982 -1.399 0.796 1.00 0.00 H new ATOM 0 HG22 THR C 71 71.754 -0.115 0.698 1.00 0.00 H new ATOM 0 HG23 THR C 71 72.687 -0.341 2.196 1.00 0.00 H new ATOM 1075 N VAL C 72 67.922 -1.748 1.817 1.00 0.00 N ATOM 1076 CA VAL C 72 66.655 -2.529 1.865 1.00 0.00 C ATOM 1077 C VAL C 72 66.485 -3.331 0.574 1.00 0.00 C ATOM 1078 O VAL C 72 67.009 -2.976 -0.462 1.00 0.00 O ATOM 1079 CB VAL C 72 65.550 -1.483 1.997 1.00 0.00 C ATOM 1080 CG1 VAL C 72 64.192 -2.140 1.751 1.00 0.00 C ATOM 1081 CG2 VAL C 72 65.582 -0.889 3.407 1.00 0.00 C ATOM 0 H VAL C 72 68.017 -1.125 1.015 1.00 0.00 H new ATOM 0 HA VAL C 72 66.638 -3.243 2.688 1.00 0.00 H new ATOM 0 HB VAL C 72 65.707 -0.692 1.263 1.00 0.00 H new ATOM 0 HG11 VAL C 72 63.404 -1.393 1.845 1.00 0.00 H new ATOM 0 HG12 VAL C 72 64.170 -2.566 0.748 1.00 0.00 H new ATOM 0 HG13 VAL C 72 64.032 -2.931 2.484 1.00 0.00 H new ATOM 0 HG21 VAL C 72 64.794 -0.142 3.505 1.00 0.00 H new ATOM 0 HG22 VAL C 72 65.424 -1.681 4.139 1.00 0.00 H new ATOM 0 HG23 VAL C 72 66.550 -0.421 3.583 1.00 0.00 H new ATOM 1091 N ASP C 73 65.759 -4.414 0.630 1.00 0.00 N ATOM 1092 CA ASP C 73 65.561 -5.240 -0.596 1.00 0.00 C ATOM 1093 C ASP C 73 64.126 -5.765 -0.658 1.00 0.00 C ATOM 1094 O ASP C 73 63.367 -5.644 0.283 1.00 0.00 O ATOM 1095 CB ASP C 73 66.551 -6.396 -0.453 1.00 0.00 C ATOM 1096 CG ASP C 73 66.249 -7.461 -1.508 1.00 0.00 C ATOM 1097 OD1 ASP C 73 65.333 -8.238 -1.291 1.00 0.00 O ATOM 1098 OD2 ASP C 73 66.938 -7.483 -2.515 1.00 0.00 O ATOM 0 H ASP C 73 65.295 -4.762 1.469 1.00 0.00 H new ATOM 0 HA ASP C 73 65.726 -4.670 -1.510 1.00 0.00 H new ATOM 0 HB2 ASP C 73 67.571 -6.031 -0.571 1.00 0.00 H new ATOM 0 HB3 ASP C 73 66.480 -6.828 0.545 1.00 0.00 H new ATOM 1103 N PHE C 74 63.751 -6.354 -1.760 1.00 0.00 N ATOM 1104 CA PHE C 74 62.366 -6.893 -1.888 1.00 0.00 C ATOM 1105 C PHE C 74 61.967 -7.630 -0.605 1.00 0.00 C ATOM 1106 O PHE C 74 60.801 -7.755 -0.288 1.00 0.00 O ATOM 1107 CB PHE C 74 62.434 -7.867 -3.065 1.00 0.00 C ATOM 1108 CG PHE C 74 61.036 -8.239 -3.499 1.00 0.00 C ATOM 1109 CD1 PHE C 74 60.225 -7.293 -4.140 1.00 0.00 C ATOM 1110 CD2 PHE C 74 60.551 -9.531 -3.263 1.00 0.00 C ATOM 1111 CE1 PHE C 74 58.930 -7.641 -4.543 1.00 0.00 C ATOM 1112 CE2 PHE C 74 59.256 -9.877 -3.667 1.00 0.00 C ATOM 1113 CZ PHE C 74 58.446 -8.932 -4.307 1.00 0.00 C ATOM 0 H PHE C 74 64.344 -6.486 -2.579 1.00 0.00 H new ATOM 0 HA PHE C 74 61.627 -6.108 -2.047 1.00 0.00 H new ATOM 0 HB2 PHE C 74 62.974 -7.412 -3.895 1.00 0.00 H new ATOM 0 HB3 PHE C 74 62.986 -8.762 -2.778 1.00 0.00 H new ATOM 0 HD1 PHE C 74 60.598 -6.296 -4.323 1.00 0.00 H new ATOM 0 HD2 PHE C 74 61.176 -10.261 -2.769 1.00 0.00 H new ATOM 0 HE1 PHE C 74 58.304 -6.912 -5.036 1.00 0.00 H new ATOM 0 HE2 PHE C 74 58.882 -10.874 -3.485 1.00 0.00 H new ATOM 0 HZ PHE C 74 57.447 -9.200 -4.619 1.00 0.00 H new ATOM 1123 N ASP C 75 62.926 -8.122 0.131 1.00 0.00 N ATOM 1124 CA ASP C 75 62.599 -8.853 1.391 1.00 0.00 C ATOM 1125 C ASP C 75 62.331 -7.865 2.529 1.00 0.00 C ATOM 1126 O ASP C 75 61.284 -7.883 3.145 1.00 0.00 O ATOM 1127 CB ASP C 75 63.838 -9.697 1.693 1.00 0.00 C ATOM 1128 CG ASP C 75 63.510 -10.716 2.785 1.00 0.00 C ATOM 1129 OD1 ASP C 75 62.995 -10.307 3.813 1.00 0.00 O ATOM 1130 OD2 ASP C 75 63.779 -11.888 2.576 1.00 0.00 O ATOM 0 H ASP C 75 63.920 -8.050 -0.084 1.00 0.00 H new ATOM 0 HA ASP C 75 61.703 -9.465 1.289 1.00 0.00 H new ATOM 0 HB2 ASP C 75 64.170 -10.210 0.790 1.00 0.00 H new ATOM 0 HB3 ASP C 75 64.658 -9.055 2.015 1.00 0.00 H new ATOM 1135 N GLU C 76 63.269 -7.004 2.815 1.00 0.00 N ATOM 1136 CA GLU C 76 63.065 -6.018 3.915 1.00 0.00 C ATOM 1137 C GLU C 76 62.172 -4.869 3.440 1.00 0.00 C ATOM 1138 O GLU C 76 61.503 -4.225 4.225 1.00 0.00 O ATOM 1139 CB GLU C 76 64.465 -5.505 4.252 1.00 0.00 C ATOM 1140 CG GLU C 76 65.386 -6.690 4.547 1.00 0.00 C ATOM 1141 CD GLU C 76 66.844 -6.241 4.447 1.00 0.00 C ATOM 1142 OE1 GLU C 76 67.070 -5.045 4.339 1.00 0.00 O ATOM 1143 OE2 GLU C 76 67.712 -7.098 4.480 1.00 0.00 O ATOM 0 H GLU C 76 64.167 -6.940 2.335 1.00 0.00 H new ATOM 0 HA GLU C 76 62.574 -6.463 4.781 1.00 0.00 H new ATOM 0 HB2 GLU C 76 64.860 -4.922 3.420 1.00 0.00 H new ATOM 0 HB3 GLU C 76 64.422 -4.840 5.115 1.00 0.00 H new ATOM 0 HG2 GLU C 76 65.183 -7.083 5.543 1.00 0.00 H new ATOM 0 HG3 GLU C 76 65.194 -7.498 3.841 1.00 0.00 H new ATOM 1150 N PHE C 77 62.156 -4.605 2.163 1.00 0.00 N ATOM 1151 CA PHE C 77 61.305 -3.496 1.644 1.00 0.00 C ATOM 1152 C PHE C 77 59.824 -3.809 1.877 1.00 0.00 C ATOM 1153 O PHE C 77 59.056 -2.956 2.277 1.00 0.00 O ATOM 1154 CB PHE C 77 61.608 -3.428 0.147 1.00 0.00 C ATOM 1155 CG PHE C 77 60.856 -2.269 -0.464 1.00 0.00 C ATOM 1156 CD1 PHE C 77 60.976 -0.989 0.089 1.00 0.00 C ATOM 1157 CD2 PHE C 77 60.037 -2.476 -1.580 1.00 0.00 C ATOM 1158 CE1 PHE C 77 60.278 0.086 -0.475 1.00 0.00 C ATOM 1159 CE2 PHE C 77 59.340 -1.402 -2.144 1.00 0.00 C ATOM 1160 CZ PHE C 77 59.459 -0.121 -1.592 1.00 0.00 C ATOM 0 H PHE C 77 62.694 -5.108 1.457 1.00 0.00 H new ATOM 0 HA PHE C 77 61.512 -2.550 2.145 1.00 0.00 H new ATOM 0 HB2 PHE C 77 62.679 -3.306 -0.013 1.00 0.00 H new ATOM 0 HB3 PHE C 77 61.317 -4.360 -0.337 1.00 0.00 H new ATOM 0 HD1 PHE C 77 61.607 -0.830 0.951 1.00 0.00 H new ATOM 0 HD2 PHE C 77 59.943 -3.464 -2.005 1.00 0.00 H new ATOM 0 HE1 PHE C 77 60.371 1.074 -0.049 1.00 0.00 H new ATOM 0 HE2 PHE C 77 58.709 -1.561 -3.006 1.00 0.00 H new ATOM 0 HZ PHE C 77 58.920 0.707 -2.027 1.00 0.00 H new ATOM 1170 N LEU C 78 59.420 -5.025 1.632 1.00 0.00 N ATOM 1171 CA LEU C 78 57.989 -5.389 1.840 1.00 0.00 C ATOM 1172 C LEU C 78 57.585 -5.136 3.296 1.00 0.00 C ATOM 1173 O LEU C 78 56.522 -4.620 3.573 1.00 0.00 O ATOM 1174 CB LEU C 78 57.906 -6.879 1.510 1.00 0.00 C ATOM 1175 CG LEU C 78 57.720 -7.058 0.002 1.00 0.00 C ATOM 1176 CD1 LEU C 78 57.523 -8.541 -0.318 1.00 0.00 C ATOM 1177 CD2 LEU C 78 56.487 -6.272 -0.454 1.00 0.00 C ATOM 0 H LEU C 78 60.017 -5.781 1.297 1.00 0.00 H new ATOM 0 HA LEU C 78 57.318 -4.797 1.218 1.00 0.00 H new ATOM 0 HB2 LEU C 78 58.813 -7.386 1.838 1.00 0.00 H new ATOM 0 HB3 LEU C 78 57.074 -7.335 2.047 1.00 0.00 H new ATOM 0 HG LEU C 78 58.604 -6.689 -0.519 1.00 0.00 H new ATOM 0 HD11 LEU C 78 57.391 -8.667 -1.393 1.00 0.00 H new ATOM 0 HD12 LEU C 78 58.398 -9.103 0.008 1.00 0.00 H new ATOM 0 HD13 LEU C 78 56.640 -8.911 0.202 1.00 0.00 H new ATOM 0 HD21 LEU C 78 56.352 -6.398 -1.528 1.00 0.00 H new ATOM 0 HD22 LEU C 78 55.605 -6.643 0.068 1.00 0.00 H new ATOM 0 HD23 LEU C 78 56.625 -5.215 -0.227 1.00 0.00 H new ATOM 1189 N VAL C 79 58.431 -5.491 4.224 1.00 0.00 N ATOM 1190 CA VAL C 79 58.097 -5.267 5.660 1.00 0.00 C ATOM 1191 C VAL C 79 57.732 -3.797 5.894 1.00 0.00 C ATOM 1192 O VAL C 79 56.854 -3.480 6.671 1.00 0.00 O ATOM 1193 CB VAL C 79 59.371 -5.631 6.423 1.00 0.00 C ATOM 1194 CG1 VAL C 79 59.131 -5.472 7.925 1.00 0.00 C ATOM 1195 CG2 VAL C 79 59.746 -7.083 6.117 1.00 0.00 C ATOM 0 H VAL C 79 59.337 -5.926 4.051 1.00 0.00 H new ATOM 0 HA VAL C 79 57.243 -5.862 5.984 1.00 0.00 H new ATOM 0 HB VAL C 79 60.182 -4.971 6.115 1.00 0.00 H new ATOM 0 HG11 VAL C 79 60.040 -5.732 8.468 1.00 0.00 H new ATOM 0 HG12 VAL C 79 58.861 -4.439 8.143 1.00 0.00 H new ATOM 0 HG13 VAL C 79 58.321 -6.132 8.236 1.00 0.00 H new ATOM 0 HG21 VAL C 79 60.654 -7.346 6.659 1.00 0.00 H new ATOM 0 HG22 VAL C 79 58.934 -7.741 6.427 1.00 0.00 H new ATOM 0 HG23 VAL C 79 59.917 -7.197 5.047 1.00 0.00 H new ATOM 1205 N MET C 80 58.403 -2.899 5.225 1.00 0.00 N ATOM 1206 CA MET C 80 58.098 -1.452 5.407 1.00 0.00 C ATOM 1207 C MET C 80 56.629 -1.173 5.071 1.00 0.00 C ATOM 1208 O MET C 80 56.027 -0.255 5.592 1.00 0.00 O ATOM 1209 CB MET C 80 59.019 -0.728 4.425 1.00 0.00 C ATOM 1210 CG MET C 80 59.703 0.442 5.134 1.00 0.00 C ATOM 1211 SD MET C 80 61.171 0.939 4.199 1.00 0.00 S ATOM 1212 CE MET C 80 60.304 1.716 2.814 1.00 0.00 C ATOM 0 H MET C 80 59.149 -3.105 4.561 1.00 0.00 H new ATOM 0 HA MET C 80 58.256 -1.123 6.434 1.00 0.00 H new ATOM 0 HB2 MET C 80 59.767 -1.418 4.035 1.00 0.00 H new ATOM 0 HB3 MET C 80 58.445 -0.365 3.572 1.00 0.00 H new ATOM 0 HG2 MET C 80 59.013 1.281 5.222 1.00 0.00 H new ATOM 0 HG3 MET C 80 59.984 0.153 6.147 1.00 0.00 H new ATOM 0 HE1 MET C 80 61.024 2.224 2.173 1.00 0.00 H new ATOM 0 HE2 MET C 80 59.781 0.953 2.238 1.00 0.00 H new ATOM 0 HE3 MET C 80 59.584 2.440 3.196 1.00 0.00 H new ATOM 1222 N MET C 81 56.050 -1.957 4.206 1.00 0.00 N ATOM 1223 CA MET C 81 54.621 -1.735 3.839 1.00 0.00 C ATOM 1224 C MET C 81 53.703 -2.435 4.844 1.00 0.00 C ATOM 1225 O MET C 81 52.629 -1.959 5.154 1.00 0.00 O ATOM 1226 CB MET C 81 54.471 -2.352 2.448 1.00 0.00 C ATOM 1227 CG MET C 81 54.659 -1.267 1.387 1.00 0.00 C ATOM 1228 SD MET C 81 56.397 -0.761 1.346 1.00 0.00 S ATOM 1229 CE MET C 81 56.113 1.020 1.212 1.00 0.00 C ATOM 0 H MET C 81 56.502 -2.742 3.737 1.00 0.00 H new ATOM 0 HA MET C 81 54.349 -0.679 3.846 1.00 0.00 H new ATOM 0 HB2 MET C 81 55.207 -3.144 2.308 1.00 0.00 H new ATOM 0 HB3 MET C 81 53.487 -2.810 2.345 1.00 0.00 H new ATOM 0 HG2 MET C 81 54.355 -1.642 0.410 1.00 0.00 H new ATOM 0 HG3 MET C 81 54.024 -0.410 1.611 1.00 0.00 H new ATOM 0 HE1 MET C 81 57.071 1.539 1.171 1.00 0.00 H new ATOM 0 HE2 MET C 81 55.547 1.231 0.305 1.00 0.00 H new ATOM 0 HE3 MET C 81 55.550 1.365 2.079 1.00 0.00 H new ATOM 1239 N VAL C 82 54.116 -3.562 5.354 1.00 0.00 N ATOM 1240 CA VAL C 82 53.268 -4.292 6.339 1.00 0.00 C ATOM 1241 C VAL C 82 53.139 -3.482 7.632 1.00 0.00 C ATOM 1242 O VAL C 82 52.074 -3.376 8.206 1.00 0.00 O ATOM 1243 CB VAL C 82 54.007 -5.604 6.601 1.00 0.00 C ATOM 1244 CG1 VAL C 82 53.078 -6.581 7.324 1.00 0.00 C ATOM 1245 CG2 VAL C 82 54.452 -6.214 5.269 1.00 0.00 C ATOM 0 H VAL C 82 55.005 -4.010 5.131 1.00 0.00 H new ATOM 0 HA VAL C 82 52.257 -4.459 5.968 1.00 0.00 H new ATOM 0 HB VAL C 82 54.881 -5.409 7.222 1.00 0.00 H new ATOM 0 HG11 VAL C 82 53.607 -7.516 7.510 1.00 0.00 H new ATOM 0 HG12 VAL C 82 52.762 -6.148 8.273 1.00 0.00 H new ATOM 0 HG13 VAL C 82 52.202 -6.776 6.705 1.00 0.00 H new ATOM 0 HG21 VAL C 82 54.979 -7.150 5.455 1.00 0.00 H new ATOM 0 HG22 VAL C 82 53.578 -6.408 4.647 1.00 0.00 H new ATOM 0 HG23 VAL C 82 55.116 -5.520 4.755 1.00 0.00 H new ATOM 1255 N ARG C 83 54.219 -2.915 8.096 1.00 0.00 N ATOM 1256 CA ARG C 83 54.163 -2.116 9.355 1.00 0.00 C ATOM 1257 C ARG C 83 53.173 -0.956 9.214 1.00 0.00 C ATOM 1258 O ARG C 83 52.771 -0.351 10.188 1.00 0.00 O ATOM 1259 CB ARG C 83 55.585 -1.587 9.549 1.00 0.00 C ATOM 1260 CG ARG C 83 56.374 -2.558 10.430 1.00 0.00 C ATOM 1261 CD ARG C 83 57.614 -1.852 10.983 1.00 0.00 C ATOM 1262 NE ARG C 83 57.145 -1.161 12.215 1.00 0.00 N ATOM 1263 CZ ARG C 83 57.961 -0.394 12.884 1.00 0.00 C ATOM 1264 NH1 ARG C 83 58.905 -0.926 13.612 1.00 0.00 N ATOM 1265 NH2 ARG C 83 57.835 0.904 12.823 1.00 0.00 N ATOM 0 H ARG C 83 55.139 -2.970 7.658 1.00 0.00 H new ATOM 0 HA ARG C 83 53.826 -2.712 10.204 1.00 0.00 H new ATOM 0 HB2 ARG C 83 56.077 -1.473 8.583 1.00 0.00 H new ATOM 0 HB3 ARG C 83 55.558 -0.600 10.011 1.00 0.00 H new ATOM 0 HG2 ARG C 83 55.749 -2.913 11.249 1.00 0.00 H new ATOM 0 HG3 ARG C 83 56.668 -3.434 9.851 1.00 0.00 H new ATOM 0 HD2 ARG C 83 58.407 -2.565 11.208 1.00 0.00 H new ATOM 0 HD3 ARG C 83 58.019 -1.142 10.262 1.00 0.00 H new ATOM 0 HE ARG C 83 56.185 -1.287 12.536 1.00 0.00 H new ATOM 0 HH11 ARG C 83 59.004 -1.940 13.657 1.00 0.00 H new ATOM 0 HH12 ARG C 83 59.544 -0.327 14.136 1.00 0.00 H new ATOM 0 HH21 ARG C 83 57.098 1.319 12.252 1.00 0.00 H new ATOM 0 HH22 ARG C 83 58.473 1.503 13.346 1.00 0.00 H new ATOM 1279 N CYS C 84 52.777 -0.639 8.011 1.00 0.00 N ATOM 1280 CA CYS C 84 51.813 0.484 7.819 1.00 0.00 C ATOM 1281 C CYS C 84 50.399 -0.064 7.604 1.00 0.00 C ATOM 1282 O CYS C 84 49.425 0.656 7.687 1.00 0.00 O ATOM 1283 CB CYS C 84 52.300 1.218 6.569 1.00 0.00 C ATOM 1284 SG CYS C 84 51.195 2.608 6.217 1.00 0.00 S ATOM 0 H CYS C 84 53.077 -1.106 7.156 1.00 0.00 H new ATOM 0 HA CYS C 84 51.770 1.143 8.686 1.00 0.00 H new ATOM 0 HB2 CYS C 84 53.318 1.578 6.719 1.00 0.00 H new ATOM 0 HB3 CYS C 84 52.325 0.535 5.720 1.00 0.00 H new ATOM 0 HG CYS C 84 50.016 2.360 6.706 1.00 0.00 H new ATOM 1290 N MET C 85 50.283 -1.333 7.327 1.00 0.00 N ATOM 1291 CA MET C 85 48.933 -1.927 7.106 1.00 0.00 C ATOM 1292 C MET C 85 48.085 -1.807 8.373 1.00 0.00 C ATOM 1293 O MET C 85 48.592 -1.582 9.454 1.00 0.00 O ATOM 1294 CB MET C 85 49.195 -3.397 6.775 1.00 0.00 C ATOM 1295 CG MET C 85 49.662 -3.519 5.324 1.00 0.00 C ATOM 1296 SD MET C 85 48.228 -3.461 4.222 1.00 0.00 S ATOM 1297 CE MET C 85 49.010 -4.248 2.792 1.00 0.00 C ATOM 0 H MET C 85 51.063 -1.985 7.244 1.00 0.00 H new ATOM 0 HA MET C 85 48.387 -1.420 6.310 1.00 0.00 H new ATOM 0 HB2 MET C 85 49.952 -3.803 7.447 1.00 0.00 H new ATOM 0 HB3 MET C 85 48.288 -3.982 6.926 1.00 0.00 H new ATOM 0 HG2 MET C 85 50.352 -2.710 5.084 1.00 0.00 H new ATOM 0 HG3 MET C 85 50.205 -4.454 5.183 1.00 0.00 H new ATOM 0 HE1 MET C 85 48.356 -4.158 1.925 1.00 0.00 H new ATOM 0 HE2 MET C 85 49.961 -3.758 2.582 1.00 0.00 H new ATOM 0 HE3 MET C 85 49.185 -5.302 3.007 1.00 0.00 H new ATOM 1307 N LYS C 86 46.795 -1.957 8.250 1.00 0.00 N ATOM 1308 CA LYS C 86 45.913 -1.855 9.448 1.00 0.00 C ATOM 1309 C LYS C 86 44.799 -2.902 9.366 1.00 0.00 C ATOM 1310 O LYS C 86 44.436 -3.516 10.350 1.00 0.00 O ATOM 1311 CB LYS C 86 45.330 -0.442 9.391 1.00 0.00 C ATOM 1312 CG LYS C 86 46.454 0.561 9.116 1.00 0.00 C ATOM 1313 CD LYS C 86 46.003 1.962 9.532 1.00 0.00 C ATOM 1314 CE LYS C 86 46.894 3.008 8.853 1.00 0.00 C ATOM 1315 NZ LYS C 86 46.047 4.230 8.734 1.00 0.00 N ATOM 0 H LYS C 86 46.313 -2.146 7.371 1.00 0.00 H new ATOM 0 HA LYS C 86 46.451 -2.033 10.379 1.00 0.00 H new ATOM 0 HB2 LYS C 86 44.573 -0.380 8.609 1.00 0.00 H new ATOM 0 HB3 LYS C 86 44.836 -0.202 10.333 1.00 0.00 H new ATOM 0 HG2 LYS C 86 47.351 0.278 9.667 1.00 0.00 H new ATOM 0 HG3 LYS C 86 46.714 0.551 8.057 1.00 0.00 H new ATOM 0 HD2 LYS C 86 44.961 2.119 9.251 1.00 0.00 H new ATOM 0 HD3 LYS C 86 46.061 2.068 10.615 1.00 0.00 H new ATOM 0 HE2 LYS C 86 47.789 3.206 9.444 1.00 0.00 H new ATOM 0 HE3 LYS C 86 47.228 2.664 7.874 1.00 0.00 H new ATOM 0 HZ1 LYS C 86 46.593 4.988 8.277 1.00 0.00 H new ATOM 0 HZ2 LYS C 86 45.206 4.015 8.160 1.00 0.00 H new ATOM 0 HZ3 LYS C 86 45.750 4.540 9.681 1.00 0.00 H new ATOM 1329 N ASP C 87 44.258 -3.112 8.199 1.00 0.00 N ATOM 1330 CA ASP C 87 43.172 -4.121 8.047 1.00 0.00 C ATOM 1331 C ASP C 87 42.822 -4.299 6.569 1.00 0.00 C ATOM 1332 O ASP C 87 41.678 -4.192 6.173 1.00 0.00 O ATOM 1333 CB ASP C 87 41.982 -3.546 8.816 1.00 0.00 C ATOM 1334 CG ASP C 87 41.525 -4.554 9.873 1.00 0.00 C ATOM 1335 OD1 ASP C 87 42.119 -4.575 10.938 1.00 0.00 O ATOM 1336 OD2 ASP C 87 40.589 -5.287 9.598 1.00 0.00 O ATOM 0 H ASP C 87 44.521 -2.627 7.341 1.00 0.00 H new ATOM 0 HA ASP C 87 43.463 -5.101 8.425 1.00 0.00 H new ATOM 0 HB2 ASP C 87 42.262 -2.606 9.291 1.00 0.00 H new ATOM 0 HB3 ASP C 87 41.164 -3.325 8.130 1.00 0.00 H new ATOM 1341 N ASP C 88 43.800 -4.570 5.749 1.00 0.00 N ATOM 1342 CA ASP C 88 43.527 -4.755 4.296 1.00 0.00 C ATOM 1343 C ASP C 88 43.589 -6.241 3.935 1.00 0.00 C ATOM 1344 O ASP C 88 44.628 -6.760 3.576 1.00 0.00 O ATOM 1345 CB ASP C 88 44.635 -3.980 3.581 1.00 0.00 C ATOM 1346 CG ASP C 88 44.718 -2.563 4.154 1.00 0.00 C ATOM 1347 OD1 ASP C 88 43.709 -1.877 4.131 1.00 0.00 O ATOM 1348 OD2 ASP C 88 45.788 -2.190 4.604 1.00 0.00 O ATOM 0 H ASP C 88 44.777 -4.671 6.023 1.00 0.00 H new ATOM 0 HA ASP C 88 42.536 -4.400 4.012 1.00 0.00 H new ATOM 0 HB2 ASP C 88 45.590 -4.491 3.706 1.00 0.00 H new ATOM 0 HB3 ASP C 88 44.433 -3.940 2.511 1.00 0.00 H new ATOM 1353 N SER C 89 42.484 -6.929 4.026 1.00 0.00 N ATOM 1354 CA SER C 89 42.477 -8.381 3.689 1.00 0.00 C ATOM 1355 C SER C 89 41.578 -8.635 2.476 1.00 0.00 C ATOM 1356 O SER C 89 41.715 -9.685 1.871 1.00 0.00 O ATOM 1357 CB SER C 89 41.913 -9.073 4.928 1.00 0.00 C ATOM 1358 OG SER C 89 42.663 -10.252 5.189 1.00 0.00 O ATOM 1359 OXT SER C 89 40.769 -7.773 2.173 1.00 0.00 O ATOM 0 H SER C 89 41.585 -6.548 4.320 1.00 0.00 H new ATOM 0 HA SER C 89 43.470 -8.751 3.433 1.00 0.00 H new ATOM 0 HB2 SER C 89 41.958 -8.402 5.786 1.00 0.00 H new ATOM 0 HB3 SER C 89 40.863 -9.323 4.773 1.00 0.00 H new ATOM 0 HG SER C 89 42.305 -10.698 5.985 1.00 0.00 H new TER 1365 SER C 89 ATOM 1366 N ARG I 1 57.731 11.349 8.173 1.00 0.00 N ATOM 1367 CA ARG I 1 57.073 10.013 8.089 1.00 0.00 C ATOM 1368 C ARG I 1 56.439 9.823 6.708 1.00 0.00 C ATOM 1369 O ARG I 1 55.961 10.759 6.100 1.00 0.00 O ATOM 1370 CB ARG I 1 55.997 10.034 9.175 1.00 0.00 C ATOM 1371 CG ARG I 1 56.272 8.920 10.187 1.00 0.00 C ATOM 1372 CD ARG I 1 56.464 9.529 11.577 1.00 0.00 C ATOM 1373 NE ARG I 1 55.202 9.226 12.306 1.00 0.00 N ATOM 1374 CZ ARG I 1 55.250 8.670 13.486 1.00 0.00 C ATOM 1375 NH1 ARG I 1 55.943 7.579 13.666 1.00 0.00 N ATOM 1376 NH2 ARG I 1 54.606 9.206 14.486 1.00 0.00 N ATOM 0 H1 ARG I 1 58.158 11.467 9.114 1.00 0.00 H new ATOM 0 H2 ARG I 1 58.471 11.418 7.446 1.00 0.00 H new ATOM 0 H3 ARG I 1 57.023 12.095 8.018 1.00 0.00 H new ATOM 0 HA ARG I 1 57.778 9.194 8.230 1.00 0.00 H new ATOM 0 HB2 ARG I 1 55.990 11.002 9.676 1.00 0.00 H new ATOM 0 HB3 ARG I 1 55.012 9.899 8.728 1.00 0.00 H new ATOM 0 HG2 ARG I 1 55.443 8.213 10.200 1.00 0.00 H new ATOM 0 HG3 ARG I 1 57.162 8.362 9.897 1.00 0.00 H new ATOM 0 HD2 ARG I 1 57.326 9.095 12.083 1.00 0.00 H new ATOM 0 HD3 ARG I 1 56.637 10.603 11.517 1.00 0.00 H new ATOM 0 HE ARG I 1 54.301 9.452 11.884 1.00 0.00 H new ATOM 0 HH11 ARG I 1 56.447 7.160 12.884 1.00 0.00 H new ATOM 0 HH12 ARG I 1 55.980 7.145 14.588 1.00 0.00 H new ATOM 0 HH21 ARG I 1 54.065 10.059 14.346 1.00 0.00 H new ATOM 0 HH22 ARG I 1 54.643 8.772 15.408 1.00 0.00 H new ATOM 1392 N ILE I 2 56.433 8.617 6.208 1.00 0.00 N ATOM 1393 CA ILE I 2 55.829 8.370 4.867 1.00 0.00 C ATOM 1394 C ILE I 2 54.710 7.332 4.975 1.00 0.00 C ATOM 1395 O ILE I 2 54.646 6.569 5.918 1.00 0.00 O ATOM 1396 CB ILE I 2 56.974 7.834 4.006 1.00 0.00 C ATOM 1397 CG1 ILE I 2 56.482 7.641 2.570 1.00 0.00 C ATOM 1398 CG2 ILE I 2 57.449 6.491 4.566 1.00 0.00 C ATOM 1399 CD1 ILE I 2 57.632 7.130 1.700 1.00 0.00 C ATOM 0 H ILE I 2 56.819 7.793 6.669 1.00 0.00 H new ATOM 0 HA ILE I 2 55.388 9.272 4.442 1.00 0.00 H new ATOM 0 HB ILE I 2 57.801 8.545 4.017 1.00 0.00 H new ATOM 0 HG12 ILE I 2 55.654 6.932 2.550 1.00 0.00 H new ATOM 0 HG13 ILE I 2 56.104 8.584 2.174 1.00 0.00 H new ATOM 0 HG21 ILE I 2 58.265 6.109 3.952 1.00 0.00 H new ATOM 0 HG22 ILE I 2 57.798 6.627 5.590 1.00 0.00 H new ATOM 0 HG23 ILE I 2 56.623 5.780 4.555 1.00 0.00 H new ATOM 0 HD11 ILE I 2 57.281 6.993 0.677 1.00 0.00 H new ATOM 0 HD12 ILE I 2 58.446 7.855 1.710 1.00 0.00 H new ATOM 0 HD13 ILE I 2 57.989 6.178 2.092 1.00 0.00 H new ATOM 1411 N SER I 3 53.825 7.297 4.016 1.00 0.00 N ATOM 1412 CA SER I 3 52.712 6.307 4.066 1.00 0.00 C ATOM 1413 C SER I 3 52.516 5.659 2.693 1.00 0.00 C ATOM 1414 O SER I 3 52.991 6.152 1.689 1.00 0.00 O ATOM 1415 CB SER I 3 51.477 7.117 4.457 1.00 0.00 C ATOM 1416 OG SER I 3 50.378 6.236 4.642 1.00 0.00 O ATOM 0 H SER I 3 53.825 7.910 3.201 1.00 0.00 H new ATOM 0 HA SER I 3 52.910 5.500 4.772 1.00 0.00 H new ATOM 0 HB2 SER I 3 51.669 7.675 5.373 1.00 0.00 H new ATOM 0 HB3 SER I 3 51.246 7.847 3.681 1.00 0.00 H new ATOM 0 HG SER I 3 49.584 6.752 4.895 1.00 0.00 H new ATOM 1422 N ALA I 4 51.818 4.558 2.642 1.00 0.00 N ATOM 1423 CA ALA I 4 51.589 3.879 1.335 1.00 0.00 C ATOM 1424 C ALA I 4 50.542 4.642 0.519 1.00 0.00 C ATOM 1425 O ALA I 4 50.752 4.964 -0.634 1.00 0.00 O ATOM 1426 CB ALA I 4 51.074 2.487 1.700 1.00 0.00 C ATOM 0 H ALA I 4 51.396 4.099 3.449 1.00 0.00 H new ATOM 0 HA ALA I 4 52.493 3.834 0.728 1.00 0.00 H new ATOM 0 HB1 ALA I 4 50.880 1.920 0.789 1.00 0.00 H new ATOM 0 HB2 ALA I 4 51.823 1.967 2.298 1.00 0.00 H new ATOM 0 HB3 ALA I 4 50.151 2.579 2.273 1.00 0.00 H new ATOM 1432 N ASP I 5 49.415 4.931 1.109 1.00 0.00 N ATOM 1433 CA ASP I 5 48.352 5.670 0.371 1.00 0.00 C ATOM 1434 C ASP I 5 48.958 6.844 -0.406 1.00 0.00 C ATOM 1435 O ASP I 5 48.593 7.108 -1.534 1.00 0.00 O ATOM 1436 CB ASP I 5 47.401 6.176 1.455 1.00 0.00 C ATOM 1437 CG ASP I 5 46.547 5.014 1.965 1.00 0.00 C ATOM 1438 OD1 ASP I 5 45.597 4.660 1.285 1.00 0.00 O ATOM 1439 OD2 ASP I 5 46.856 4.499 3.027 1.00 0.00 O ATOM 0 H ASP I 5 49.184 4.687 2.072 1.00 0.00 H new ATOM 0 HA ASP I 5 47.843 5.041 -0.359 1.00 0.00 H new ATOM 0 HB2 ASP I 5 47.968 6.613 2.277 1.00 0.00 H new ATOM 0 HB3 ASP I 5 46.762 6.963 1.055 1.00 0.00 H new ATOM 1444 N ALA I 6 49.879 7.551 0.190 1.00 0.00 N ATOM 1445 CA ALA I 6 50.505 8.707 -0.516 1.00 0.00 C ATOM 1446 C ALA I 6 51.640 8.222 -1.424 1.00 0.00 C ATOM 1447 O ALA I 6 52.019 8.886 -2.368 1.00 0.00 O ATOM 1448 CB ALA I 6 51.056 9.597 0.597 1.00 0.00 C ATOM 0 H ALA I 6 50.225 7.379 1.134 1.00 0.00 H new ATOM 0 HA ALA I 6 49.795 9.237 -1.150 1.00 0.00 H new ATOM 0 HB1 ALA I 6 51.534 10.473 0.159 1.00 0.00 H new ATOM 0 HB2 ALA I 6 50.240 9.915 1.246 1.00 0.00 H new ATOM 0 HB3 ALA I 6 51.787 9.038 1.181 1.00 0.00 H new ATOM 1454 N MET I 7 52.184 7.071 -1.143 1.00 0.00 N ATOM 1455 CA MET I 7 53.295 6.545 -1.987 1.00 0.00 C ATOM 1456 C MET I 7 52.774 6.170 -3.378 1.00 0.00 C ATOM 1457 O MET I 7 53.414 6.423 -4.380 1.00 0.00 O ATOM 1458 CB MET I 7 53.794 5.302 -1.249 1.00 0.00 C ATOM 1459 CG MET I 7 55.244 5.016 -1.645 1.00 0.00 C ATOM 1460 SD MET I 7 55.321 4.624 -3.412 1.00 0.00 S ATOM 1461 CE MET I 7 57.120 4.480 -3.536 1.00 0.00 C ATOM 0 H MET I 7 51.908 6.471 -0.366 1.00 0.00 H new ATOM 0 HA MET I 7 54.086 7.280 -2.134 1.00 0.00 H new ATOM 0 HB2 MET I 7 53.724 5.454 -0.172 1.00 0.00 H new ATOM 0 HB3 MET I 7 53.165 4.446 -1.492 1.00 0.00 H new ATOM 0 HG2 MET I 7 55.870 5.881 -1.426 1.00 0.00 H new ATOM 0 HG3 MET I 7 55.635 4.184 -1.060 1.00 0.00 H new ATOM 0 HE1 MET I 7 57.375 3.765 -4.318 1.00 0.00 H new ATOM 0 HE2 MET I 7 57.547 5.453 -3.780 1.00 0.00 H new ATOM 0 HE3 MET I 7 57.524 4.135 -2.584 1.00 0.00 H new ATOM 1471 N MET I 8 51.620 5.566 -3.447 1.00 0.00 N ATOM 1472 CA MET I 8 51.061 5.174 -4.772 1.00 0.00 C ATOM 1473 C MET I 8 50.533 6.404 -5.516 1.00 0.00 C ATOM 1474 O MET I 8 50.811 6.601 -6.682 1.00 0.00 O ATOM 1475 CB MET I 8 49.915 4.214 -4.449 1.00 0.00 C ATOM 1476 CG MET I 8 50.451 3.037 -3.633 1.00 0.00 C ATOM 1477 SD MET I 8 51.564 2.046 -4.661 1.00 0.00 S ATOM 1478 CE MET I 8 53.120 2.676 -3.983 1.00 0.00 C ATOM 0 H MET I 8 51.040 5.327 -2.643 1.00 0.00 H new ATOM 0 HA MET I 8 51.813 4.715 -5.414 1.00 0.00 H new ATOM 0 HB2 MET I 8 49.137 4.734 -3.890 1.00 0.00 H new ATOM 0 HB3 MET I 8 49.458 3.853 -5.370 1.00 0.00 H new ATOM 0 HG2 MET I 8 50.980 3.402 -2.753 1.00 0.00 H new ATOM 0 HG3 MET I 8 49.625 2.422 -3.276 1.00 0.00 H new ATOM 0 HE1 MET I 8 53.785 1.841 -3.763 1.00 0.00 H new ATOM 0 HE2 MET I 8 53.594 3.335 -4.711 1.00 0.00 H new ATOM 0 HE3 MET I 8 52.919 3.232 -3.067 1.00 0.00 H new ATOM 1488 N GLN I 9 49.771 7.230 -4.854 1.00 0.00 N ATOM 1489 CA GLN I 9 49.224 8.442 -5.529 1.00 0.00 C ATOM 1490 C GLN I 9 50.359 9.376 -5.957 1.00 0.00 C ATOM 1491 O GLN I 9 50.311 9.987 -7.007 1.00 0.00 O ATOM 1492 CB GLN I 9 48.340 9.117 -4.480 1.00 0.00 C ATOM 1493 CG GLN I 9 47.037 9.577 -5.136 1.00 0.00 C ATOM 1494 CD GLN I 9 45.870 8.755 -4.583 1.00 0.00 C ATOM 1495 OE1 GLN I 9 45.688 7.611 -4.951 1.00 0.00 O ATOM 1496 NE2 GLN I 9 45.066 9.294 -3.709 1.00 0.00 N ATOM 0 H GLN I 9 49.503 7.119 -3.876 1.00 0.00 H new ATOM 0 HA GLN I 9 48.667 8.191 -6.432 1.00 0.00 H new ATOM 0 HB2 GLN I 9 48.126 8.423 -3.667 1.00 0.00 H new ATOM 0 HB3 GLN I 9 48.861 9.969 -4.043 1.00 0.00 H new ATOM 0 HG2 GLN I 9 46.874 10.637 -4.941 1.00 0.00 H new ATOM 0 HG3 GLN I 9 47.100 9.457 -6.218 1.00 0.00 H new ATOM 0 HE21 GLN I 9 45.218 10.254 -3.400 1.00 0.00 H new ATOM 0 HE22 GLN I 9 44.285 8.756 -3.335 1.00 0.00 H new ATOM 1505 N ALA I 10 51.384 9.489 -5.157 1.00 0.00 N ATOM 1506 CA ALA I 10 52.521 10.382 -5.525 1.00 0.00 C ATOM 1507 C ALA I 10 53.185 9.884 -6.812 1.00 0.00 C ATOM 1508 O ALA I 10 53.364 10.625 -7.758 1.00 0.00 O ATOM 1509 CB ALA I 10 53.494 10.292 -4.350 1.00 0.00 C ATOM 0 H ALA I 10 51.484 9.003 -4.266 1.00 0.00 H new ATOM 0 HA ALA I 10 52.199 11.407 -5.708 1.00 0.00 H new ATOM 0 HB1 ALA I 10 54.360 10.924 -4.546 1.00 0.00 H new ATOM 0 HB2 ALA I 10 52.998 10.629 -3.440 1.00 0.00 H new ATOM 0 HB3 ALA I 10 53.819 9.259 -4.225 1.00 0.00 H new ATOM 1515 N LEU I 11 53.546 8.632 -6.852 1.00 0.00 N ATOM 1516 CA LEU I 11 54.196 8.079 -8.075 1.00 0.00 C ATOM 1517 C LEU I 11 53.729 6.641 -8.311 1.00 0.00 C ATOM 1518 O LEU I 11 53.045 6.060 -7.492 1.00 0.00 O ATOM 1519 CB LEU I 11 55.697 8.115 -7.779 1.00 0.00 C ATOM 1520 CG LEU I 11 56.007 7.205 -6.589 1.00 0.00 C ATOM 1521 CD1 LEU I 11 57.302 6.435 -6.855 1.00 0.00 C ATOM 1522 CD2 LEU I 11 56.173 8.058 -5.329 1.00 0.00 C ATOM 0 H LEU I 11 53.419 7.966 -6.090 1.00 0.00 H new ATOM 0 HA LEU I 11 53.946 8.648 -8.971 1.00 0.00 H new ATOM 0 HB2 LEU I 11 56.259 7.790 -8.655 1.00 0.00 H new ATOM 0 HB3 LEU I 11 56.011 9.136 -7.561 1.00 0.00 H new ATOM 0 HG LEU I 11 55.188 6.499 -6.449 1.00 0.00 H new ATOM 0 HD11 LEU I 11 57.521 5.787 -6.006 1.00 0.00 H new ATOM 0 HD12 LEU I 11 57.187 5.829 -7.754 1.00 0.00 H new ATOM 0 HD13 LEU I 11 58.122 7.139 -6.995 1.00 0.00 H new ATOM 0 HD21 LEU I 11 56.394 7.412 -4.479 1.00 0.00 H new ATOM 0 HD22 LEU I 11 56.992 8.763 -5.472 1.00 0.00 H new ATOM 0 HD23 LEU I 11 55.251 8.607 -5.137 1.00 0.00 H new ATOM 1534 N LEU I 12 54.096 6.062 -9.421 1.00 0.00 N ATOM 1535 CA LEU I 12 53.677 4.659 -9.711 1.00 0.00 C ATOM 1536 C LEU I 12 52.157 4.582 -9.883 1.00 0.00 C ATOM 1537 O LEU I 12 51.414 4.546 -8.922 1.00 0.00 O ATOM 1538 CB LEU I 12 54.120 3.841 -8.491 1.00 0.00 C ATOM 1539 CG LEU I 12 55.543 4.236 -8.079 1.00 0.00 C ATOM 1540 CD1 LEU I 12 55.786 3.828 -6.624 1.00 0.00 C ATOM 1541 CD2 LEU I 12 56.552 3.523 -8.982 1.00 0.00 C ATOM 0 H LEU I 12 54.669 6.500 -10.142 1.00 0.00 H new ATOM 0 HA LEU I 12 54.122 4.284 -10.633 1.00 0.00 H new ATOM 0 HB2 LEU I 12 53.433 4.010 -7.662 1.00 0.00 H new ATOM 0 HB3 LEU I 12 54.083 2.777 -8.724 1.00 0.00 H new ATOM 0 HG LEU I 12 55.663 5.315 -8.179 1.00 0.00 H new ATOM 0 HD11 LEU I 12 56.798 4.109 -6.331 1.00 0.00 H new ATOM 0 HD12 LEU I 12 55.068 4.335 -5.979 1.00 0.00 H new ATOM 0 HD13 LEU I 12 55.666 2.749 -6.524 1.00 0.00 H new ATOM 0 HD21 LEU I 12 57.564 3.804 -8.689 1.00 0.00 H new ATOM 0 HD22 LEU I 12 56.431 2.444 -8.882 1.00 0.00 H new ATOM 0 HD23 LEU I 12 56.381 3.813 -10.019 1.00 0.00 H new ATOM 1553 N GLY I 13 51.690 4.552 -11.102 1.00 0.00 N ATOM 1554 CA GLY I 13 50.219 4.472 -11.337 1.00 0.00 C ATOM 1555 C GLY I 13 49.585 5.847 -11.118 1.00 0.00 C ATOM 1556 O GLY I 13 48.389 5.967 -10.942 1.00 0.00 O ATOM 0 H GLY I 13 52.263 4.579 -11.945 1.00 0.00 H new ATOM 0 HA2 GLY I 13 50.022 4.128 -12.352 1.00 0.00 H new ATOM 0 HA3 GLY I 13 49.772 3.743 -10.661 1.00 0.00 H new ATOM 1560 N ALA I 14 50.374 6.886 -11.128 1.00 0.00 N ATOM 1561 CA ALA I 14 49.809 8.250 -10.920 1.00 0.00 C ATOM 1562 C ALA I 14 49.982 9.094 -12.186 1.00 0.00 C ATOM 1563 O ALA I 14 50.751 10.035 -12.215 1.00 0.00 O ATOM 1564 CB ALA I 14 50.615 8.842 -9.765 1.00 0.00 C ATOM 0 H ALA I 14 51.383 6.850 -11.271 1.00 0.00 H new ATOM 0 HA ALA I 14 48.742 8.225 -10.700 1.00 0.00 H new ATOM 0 HB1 ALA I 14 50.258 9.849 -9.551 1.00 0.00 H new ATOM 0 HB2 ALA I 14 50.494 8.218 -8.880 1.00 0.00 H new ATOM 0 HB3 ALA I 14 51.669 8.882 -10.040 1.00 0.00 H new ATOM 1570 N ARG I 15 49.274 8.766 -13.232 1.00 0.00 N ATOM 1571 CA ARG I 15 49.399 9.550 -14.494 1.00 0.00 C ATOM 1572 C ARG I 15 50.822 9.437 -15.050 1.00 0.00 C ATOM 1573 O ARG I 15 51.758 9.984 -14.502 1.00 0.00 O ATOM 1574 CB ARG I 15 49.090 10.995 -14.096 1.00 0.00 C ATOM 1575 CG ARG I 15 48.451 11.726 -15.278 1.00 0.00 C ATOM 1576 CD ARG I 15 47.246 12.534 -14.790 1.00 0.00 C ATOM 1577 NE ARG I 15 46.483 12.874 -16.024 1.00 0.00 N ATOM 1578 CZ ARG I 15 47.017 13.647 -16.930 1.00 0.00 C ATOM 1579 NH1 ARG I 15 47.876 13.158 -17.782 1.00 0.00 N ATOM 1580 NH2 ARG I 15 46.692 14.911 -16.983 1.00 0.00 N ATOM 0 H ARG I 15 48.614 7.989 -13.268 1.00 0.00 H new ATOM 0 HA ARG I 15 48.726 9.189 -15.272 1.00 0.00 H new ATOM 0 HB2 ARG I 15 48.417 11.011 -13.239 1.00 0.00 H new ATOM 0 HB3 ARG I 15 50.005 11.503 -13.793 1.00 0.00 H new ATOM 0 HG2 ARG I 15 49.180 12.387 -15.747 1.00 0.00 H new ATOM 0 HG3 ARG I 15 48.138 11.008 -16.036 1.00 0.00 H new ATOM 0 HD2 ARG I 15 46.637 11.954 -14.097 1.00 0.00 H new ATOM 0 HD3 ARG I 15 47.562 13.433 -14.261 1.00 0.00 H new ATOM 0 HE ARG I 15 45.543 12.502 -16.161 1.00 0.00 H new ATOM 0 HH11 ARG I 15 48.130 12.171 -17.740 1.00 0.00 H new ATOM 0 HH12 ARG I 15 48.293 13.763 -18.490 1.00 0.00 H new ATOM 0 HH21 ARG I 15 46.021 15.293 -16.317 1.00 0.00 H new ATOM 0 HH22 ARG I 15 47.109 15.516 -17.691 1.00 0.00 H new ATOM 1594 N ALA I 16 50.989 8.733 -16.136 1.00 0.00 N ATOM 1595 CA ALA I 16 52.349 8.584 -16.728 1.00 0.00 C ATOM 1596 C ALA I 16 52.986 9.959 -16.942 1.00 0.00 C ATOM 1597 O ALA I 16 53.991 10.289 -16.344 1.00 0.00 O ATOM 1598 CB ALA I 16 52.122 7.882 -18.066 1.00 0.00 C ATOM 0 H ALA I 16 50.242 8.254 -16.639 1.00 0.00 H new ATOM 0 HA ALA I 16 53.023 8.021 -16.082 1.00 0.00 H new ATOM 0 HB1 ALA I 16 53.079 7.735 -18.567 1.00 0.00 H new ATOM 0 HB2 ALA I 16 51.650 6.915 -17.894 1.00 0.00 H new ATOM 0 HB3 ALA I 16 51.475 8.495 -18.693 1.00 0.00 H new ATOM 1604 N LYS I 17 52.408 10.766 -17.790 1.00 0.00 N ATOM 1605 CA LYS I 17 52.981 12.119 -18.040 1.00 0.00 C ATOM 1606 C LYS I 17 52.006 13.202 -17.570 1.00 0.00 C ATOM 1607 O LYS I 17 52.468 14.269 -17.202 1.00 0.00 O ATOM 1608 CB LYS I 17 53.178 12.194 -19.554 1.00 0.00 C ATOM 1609 CG LYS I 17 51.815 12.229 -20.248 1.00 0.00 C ATOM 1610 CD LYS I 17 51.990 11.924 -21.736 1.00 0.00 C ATOM 1611 CE LYS I 17 52.390 10.457 -21.914 1.00 0.00 C ATOM 1612 NZ LYS I 17 51.807 10.055 -23.225 1.00 0.00 N ATOM 1613 OXT LYS I 17 50.813 12.945 -17.588 1.00 0.00 O ATOM 0 H LYS I 17 51.564 10.547 -18.320 1.00 0.00 H new ATOM 0 HA LYS I 17 53.915 12.277 -17.500 1.00 0.00 H new ATOM 0 HB2 LYS I 17 53.752 13.084 -19.813 1.00 0.00 H new ATOM 0 HB3 LYS I 17 53.751 11.334 -19.899 1.00 0.00 H new ATOM 0 HG2 LYS I 17 51.145 11.499 -19.793 1.00 0.00 H new ATOM 0 HG3 LYS I 17 51.355 13.209 -20.119 1.00 0.00 H new ATOM 0 HD2 LYS I 17 51.062 12.126 -22.271 1.00 0.00 H new ATOM 0 HD3 LYS I 17 52.753 12.574 -22.164 1.00 0.00 H new ATOM 0 HE2 LYS I 17 53.474 10.340 -21.912 1.00 0.00 H new ATOM 0 HE3 LYS I 17 52.001 9.841 -21.103 1.00 0.00 H new ATOM 0 HZ1 LYS I 17 52.039 9.060 -23.418 1.00 0.00 H new ATOM 0 HZ2 LYS I 17 50.774 10.170 -23.195 1.00 0.00 H new ATOM 0 HZ3 LYS I 17 52.201 10.654 -23.978 1.00 0.00 H new TER 1627 LYS I 17 HETATM 1628 CA CA C 90 69.380 -5.080 4.869 1.00 0.00 CA