USER MOD reduce.3.24.130724 H: found=0, std=0, add=575, rem=0, adj=18 USER MOD reduce.3.24.130724 removed 572 hydrogens (0 hets) USER MOD ----------------------------------------------------------------- USER MOD scores for adjustable sidechains, with "set" totals for H,N and Q USER MOD "o" means original, "f" means flipped, "180deg" is methyl default USER MOD "!" flags a clash with an overlap of 0.40A or greater USER MOD flip categories: "K"=keep, "C"=clashes, "X"=uncertain, "F"=flip USER MOD Set 1.1: A 16 HIS :FLIP no HD1:sc= -1.46 F(o=-2.5,f=-1.5) USER MOD Set 1.2: A 27 TYR OH : rot 43:sc= -0.0152 USER MOD Single : A 8 LYS NZ :NH3+ -118:sc= -0.703 (180deg=-2.31!) USER MOD Single : A 9 ASN : amide:sc= -8.25! C(o=-8.2!,f=-9.4!) USER MOD Single : A 10 LYS NZ :NH3+ 179:sc= -2.32 (180deg=-2.36) USER MOD Single : A 12 CYS SG : rot -110:sc= -2! USER MOD Single : A 13 MET CE :methyl -169:sc= 0 (180deg=-0.138) USER MOD Single : A 15 CYS SG : rot 180:sc= 0 USER MOD Single : A 20 THR OG1 : rot 180:sc= -4.19! USER MOD Single : A 21 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 22 MET CE :methyl -168:sc= -0.445 (180deg=-0.525) USER MOD Single : A 28 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 33 LYS NZ :NH3+ -124:sc= -0.223 (180deg=-1.32!) USER MOD Single : A 34 TYR OH : rot 165:sc= 0 USER MOD Single : A 37 GLN : amide:sc= 0 K(o=0,f=-0.89) USER MOD Single : A 43 TYR OH : rot 180:sc= -1.6! USER MOD Single : A 46 GLN : amide:sc= 0 K(o=0,f=-1.1!) USER MOD Single : A 49 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 50 ASN : amide:sc= -0.521 X(o=-0.52,f=-0.26) USER MOD Single : A 52 SER OG : rot -160:sc= 0 USER MOD Single : A 53 GLN : amide:sc= -3.29! C(o=-3.3!,f=-8.2!) USER MOD Single : A 61 MET CE :methyl 166:sc= -7.56! (180deg=-8.23!) USER MOD Single : A 64 ASN :FLIP amide:sc= -1.33 F(o=-3.3!,f=-1.3) USER MOD Single : A 67 SER OG : rot 180:sc= 0 USER MOD Single : A 72 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 73 THR OG1 : rot 180:sc= 0.0345 USER MOD Single : A 76 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 80 SER OG : rot 98:sc= 0.922 USER MOD ----------------------------------------------------------------- ATOM 30 N PRO A 3 66.487 12.837 2.068 1.00 0.00 N ATOM 31 CA PRO A 3 66.532 11.447 1.551 1.00 0.00 C ATOM 32 C PRO A 3 65.393 11.201 0.561 1.00 0.00 C ATOM 33 O PRO A 3 65.536 10.457 -0.388 1.00 0.00 O ATOM 34 CB PRO A 3 66.351 10.607 2.818 1.00 0.00 C ATOM 35 CG PRO A 3 66.204 11.555 4.023 1.00 0.00 C ATOM 36 CD PRO A 3 66.285 13.005 3.527 1.00 0.00 C ATOM 0 HA PRO A 3 67.448 11.214 1.009 1.00 0.00 H new ATOM 0 HB2 PRO A 3 65.470 9.972 2.727 1.00 0.00 H new ATOM 0 HB3 PRO A 3 67.207 9.947 2.959 1.00 0.00 H new ATOM 0 HG2 PRO A 3 65.253 11.381 4.526 1.00 0.00 H new ATOM 0 HG3 PRO A 3 66.990 11.362 4.753 1.00 0.00 H new ATOM 0 HD2 PRO A 3 65.374 13.561 3.749 1.00 0.00 H new ATOM 0 HD3 PRO A 3 67.110 13.547 3.991 1.00 0.00 H new ATOM 44 N GLU A 4 64.267 11.820 0.767 1.00 0.00 N ATOM 45 CA GLU A 4 63.135 11.616 -0.181 1.00 0.00 C ATOM 46 C GLU A 4 63.520 12.176 -1.548 1.00 0.00 C ATOM 47 O GLU A 4 63.052 11.720 -2.575 1.00 0.00 O ATOM 48 CB GLU A 4 61.957 12.391 0.415 1.00 0.00 C ATOM 49 CG GLU A 4 62.374 13.836 0.695 1.00 0.00 C ATOM 50 CD GLU A 4 61.188 14.767 0.442 1.00 0.00 C ATOM 51 OE1 GLU A 4 60.654 14.729 -0.655 1.00 0.00 O ATOM 52 OE2 GLU A 4 60.831 15.503 1.348 1.00 0.00 O ATOM 0 H GLU A 4 64.080 12.454 1.544 1.00 0.00 H new ATOM 0 HA GLU A 4 62.883 10.564 -0.316 1.00 0.00 H new ATOM 0 HB2 GLU A 4 61.113 12.374 -0.274 1.00 0.00 H new ATOM 0 HB3 GLU A 4 61.625 11.914 1.337 1.00 0.00 H new ATOM 0 HG2 GLU A 4 62.714 13.934 1.726 1.00 0.00 H new ATOM 0 HG3 GLU A 4 63.212 14.114 0.055 1.00 0.00 H new ATOM 59 N VAL A 5 64.385 13.152 -1.567 1.00 0.00 N ATOM 60 CA VAL A 5 64.820 13.735 -2.863 1.00 0.00 C ATOM 61 C VAL A 5 65.721 12.742 -3.588 1.00 0.00 C ATOM 62 O VAL A 5 65.430 12.308 -4.684 1.00 0.00 O ATOM 63 CB VAL A 5 65.596 15.000 -2.497 1.00 0.00 C ATOM 64 CG1 VAL A 5 66.397 15.476 -3.710 1.00 0.00 C ATOM 65 CG2 VAL A 5 64.615 16.097 -2.074 1.00 0.00 C ATOM 0 H VAL A 5 64.809 13.570 -0.739 1.00 0.00 H new ATOM 0 HA VAL A 5 63.983 13.960 -3.524 1.00 0.00 H new ATOM 0 HB VAL A 5 66.276 14.782 -1.674 1.00 0.00 H new ATOM 0 HG11 VAL A 5 66.950 16.378 -3.449 1.00 0.00 H new ATOM 0 HG12 VAL A 5 67.096 14.696 -4.013 1.00 0.00 H new ATOM 0 HG13 VAL A 5 65.716 15.693 -4.533 1.00 0.00 H new ATOM 0 HG21 VAL A 5 65.168 16.999 -1.813 1.00 0.00 H new ATOM 0 HG22 VAL A 5 63.935 16.314 -2.898 1.00 0.00 H new ATOM 0 HG23 VAL A 5 64.043 15.760 -1.210 1.00 0.00 H new ATOM 75 N LEU A 6 66.811 12.367 -2.978 1.00 0.00 N ATOM 76 CA LEU A 6 67.722 11.390 -3.634 1.00 0.00 C ATOM 77 C LEU A 6 66.994 10.064 -3.833 1.00 0.00 C ATOM 78 O LEU A 6 67.382 9.239 -4.638 1.00 0.00 O ATOM 79 CB LEU A 6 68.906 11.224 -2.676 1.00 0.00 C ATOM 80 CG LEU A 6 68.441 10.642 -1.342 1.00 0.00 C ATOM 81 CD1 LEU A 6 68.509 9.113 -1.390 1.00 0.00 C ATOM 82 CD2 LEU A 6 69.367 11.149 -0.234 1.00 0.00 C ATOM 0 H LEU A 6 67.109 12.693 -2.059 1.00 0.00 H new ATOM 0 HA LEU A 6 68.054 11.727 -4.616 1.00 0.00 H new ATOM 0 HB2 LEU A 6 69.654 10.569 -3.124 1.00 0.00 H new ATOM 0 HB3 LEU A 6 69.385 12.189 -2.511 1.00 0.00 H new ATOM 0 HG LEU A 6 67.414 10.950 -1.148 1.00 0.00 H new ATOM 0 HD11 LEU A 6 68.176 8.704 -0.436 1.00 0.00 H new ATOM 0 HD12 LEU A 6 67.864 8.745 -2.188 1.00 0.00 H new ATOM 0 HD13 LEU A 6 69.536 8.800 -1.581 1.00 0.00 H new ATOM 0 HD21 LEU A 6 69.046 10.741 0.724 1.00 0.00 H new ATOM 0 HD22 LEU A 6 70.389 10.831 -0.440 1.00 0.00 H new ATOM 0 HD23 LEU A 6 69.327 12.238 -0.196 1.00 0.00 H new ATOM 94 N ALA A 7 65.933 9.857 -3.105 1.00 0.00 N ATOM 95 CA ALA A 7 65.166 8.588 -3.244 1.00 0.00 C ATOM 96 C ALA A 7 64.489 8.535 -4.616 1.00 0.00 C ATOM 97 O ALA A 7 64.655 7.592 -5.363 1.00 0.00 O ATOM 98 CB ALA A 7 64.121 8.634 -2.129 1.00 0.00 C ATOM 0 H ALA A 7 65.563 10.514 -2.418 1.00 0.00 H new ATOM 0 HA ALA A 7 65.802 7.706 -3.167 1.00 0.00 H new ATOM 0 HB1 ALA A 7 63.512 7.730 -2.163 1.00 0.00 H new ATOM 0 HB2 ALA A 7 64.622 8.698 -1.163 1.00 0.00 H new ATOM 0 HB3 ALA A 7 63.482 9.507 -2.265 1.00 0.00 H new ATOM 104 N LYS A 8 63.730 9.540 -4.958 1.00 0.00 N ATOM 105 CA LYS A 8 63.049 9.538 -6.285 1.00 0.00 C ATOM 106 C LYS A 8 64.079 9.633 -7.416 1.00 0.00 C ATOM 107 O LYS A 8 63.863 9.142 -8.507 1.00 0.00 O ATOM 108 CB LYS A 8 62.154 10.778 -6.273 1.00 0.00 C ATOM 109 CG LYS A 8 60.903 10.512 -7.110 1.00 0.00 C ATOM 110 CD LYS A 8 60.339 11.840 -7.617 1.00 0.00 C ATOM 111 CE LYS A 8 60.180 12.812 -6.441 1.00 0.00 C ATOM 112 NZ LYS A 8 61.361 13.724 -6.508 1.00 0.00 N ATOM 0 H LYS A 8 63.552 10.360 -4.378 1.00 0.00 H new ATOM 0 HA LYS A 8 62.480 8.623 -6.452 1.00 0.00 H new ATOM 0 HB2 LYS A 8 61.874 11.027 -5.250 1.00 0.00 H new ATOM 0 HB3 LYS A 8 62.696 11.635 -6.673 1.00 0.00 H new ATOM 0 HG2 LYS A 8 61.146 9.863 -7.951 1.00 0.00 H new ATOM 0 HG3 LYS A 8 60.155 9.992 -6.511 1.00 0.00 H new ATOM 0 HD2 LYS A 8 61.004 12.267 -8.368 1.00 0.00 H new ATOM 0 HD3 LYS A 8 59.376 11.677 -8.100 1.00 0.00 H new ATOM 0 HE2 LYS A 8 59.248 13.372 -6.519 1.00 0.00 H new ATOM 0 HE3 LYS A 8 60.152 12.277 -5.492 1.00 0.00 H new ATOM 0 HZ1 LYS A 8 61.930 13.619 -5.644 1.00 0.00 H new ATOM 0 HZ2 LYS A 8 61.941 13.481 -7.336 1.00 0.00 H new ATOM 0 HZ3 LYS A 8 61.035 14.708 -6.591 1.00 0.00 H new ATOM 126 N ASN A 9 65.193 10.268 -7.171 1.00 0.00 N ATOM 127 CA ASN A 9 66.227 10.399 -8.242 1.00 0.00 C ATOM 128 C ASN A 9 66.831 9.033 -8.580 1.00 0.00 C ATOM 129 O ASN A 9 67.128 8.743 -9.722 1.00 0.00 O ATOM 130 CB ASN A 9 67.299 11.328 -7.664 1.00 0.00 C ATOM 131 CG ASN A 9 66.636 12.495 -6.932 1.00 0.00 C ATOM 132 OD1 ASN A 9 67.249 13.131 -6.098 1.00 0.00 O ATOM 133 ND2 ASN A 9 65.400 12.811 -7.212 1.00 0.00 N ATOM 0 H ASN A 9 65.433 10.701 -6.279 1.00 0.00 H new ATOM 0 HA ASN A 9 65.802 10.793 -9.165 1.00 0.00 H new ATOM 0 HB2 ASN A 9 67.941 10.775 -6.978 1.00 0.00 H new ATOM 0 HB3 ASN A 9 67.937 11.704 -8.464 1.00 0.00 H new ATOM 0 HD21 ASN A 9 64.951 13.590 -6.731 1.00 0.00 H new ATOM 0 HD22 ASN A 9 64.883 12.278 -7.912 1.00 0.00 H new ATOM 140 N LYS A 10 67.020 8.190 -7.600 1.00 0.00 N ATOM 141 CA LYS A 10 67.608 6.850 -7.881 1.00 0.00 C ATOM 142 C LYS A 10 66.521 5.892 -8.371 1.00 0.00 C ATOM 143 O LYS A 10 66.802 4.827 -8.886 1.00 0.00 O ATOM 144 CB LYS A 10 68.179 6.377 -6.545 1.00 0.00 C ATOM 145 CG LYS A 10 69.174 7.413 -6.020 1.00 0.00 C ATOM 146 CD LYS A 10 70.456 7.354 -6.851 1.00 0.00 C ATOM 147 CE LYS A 10 71.430 8.429 -6.364 1.00 0.00 C ATOM 148 NZ LYS A 10 72.491 7.682 -5.635 1.00 0.00 N ATOM 0 H LYS A 10 66.794 8.371 -6.622 1.00 0.00 H new ATOM 0 HA LYS A 10 68.373 6.888 -8.657 1.00 0.00 H new ATOM 0 HB2 LYS A 10 67.374 6.232 -5.824 1.00 0.00 H new ATOM 0 HB3 LYS A 10 68.673 5.413 -6.669 1.00 0.00 H new ATOM 0 HG2 LYS A 10 68.739 8.411 -6.073 1.00 0.00 H new ATOM 0 HG3 LYS A 10 69.398 7.219 -4.971 1.00 0.00 H new ATOM 0 HD2 LYS A 10 70.913 6.368 -6.765 1.00 0.00 H new ATOM 0 HD3 LYS A 10 70.226 7.507 -7.905 1.00 0.00 H new ATOM 0 HE2 LYS A 10 71.846 8.993 -7.199 1.00 0.00 H new ATOM 0 HE3 LYS A 10 70.933 9.147 -5.712 1.00 0.00 H new ATOM 0 HZ1 LYS A 10 73.207 8.350 -5.284 1.00 0.00 H new ATOM 0 HZ2 LYS A 10 72.069 7.174 -4.832 1.00 0.00 H new ATOM 0 HZ3 LYS A 10 72.940 7.000 -6.279 1.00 0.00 H new ATOM 162 N GLY A 11 65.280 6.261 -8.217 1.00 0.00 N ATOM 163 CA GLY A 11 64.178 5.374 -8.676 1.00 0.00 C ATOM 164 C GLY A 11 63.647 4.558 -7.496 1.00 0.00 C ATOM 165 O GLY A 11 62.904 3.612 -7.670 1.00 0.00 O ATOM 0 H GLY A 11 64.982 7.139 -7.793 1.00 0.00 H new ATOM 0 HA2 GLY A 11 63.375 5.970 -9.109 1.00 0.00 H new ATOM 0 HA3 GLY A 11 64.538 4.707 -9.459 1.00 0.00 H new ATOM 169 N CYS A 12 64.019 4.913 -6.293 1.00 0.00 N ATOM 170 CA CYS A 12 63.527 4.150 -5.110 1.00 0.00 C ATOM 171 C CYS A 12 62.009 4.310 -4.969 1.00 0.00 C ATOM 172 O CYS A 12 61.307 3.382 -4.618 1.00 0.00 O ATOM 173 CB CYS A 12 64.229 4.768 -3.898 1.00 0.00 C ATOM 174 SG CYS A 12 66.007 4.924 -4.206 1.00 0.00 S ATOM 0 H CYS A 12 64.639 5.694 -6.081 1.00 0.00 H new ATOM 0 HA CYS A 12 63.738 3.085 -5.204 1.00 0.00 H new ATOM 0 HB2 CYS A 12 63.803 5.749 -3.685 1.00 0.00 H new ATOM 0 HB3 CYS A 12 64.059 4.149 -3.017 1.00 0.00 H new ATOM 0 HG CYS A 12 66.653 4.079 -3.459 1.00 0.00 H new ATOM 179 N MET A 13 61.502 5.482 -5.231 1.00 0.00 N ATOM 180 CA MET A 13 60.033 5.708 -5.104 1.00 0.00 C ATOM 181 C MET A 13 59.303 5.194 -6.347 1.00 0.00 C ATOM 182 O MET A 13 58.117 5.398 -6.510 1.00 0.00 O ATOM 183 CB MET A 13 59.878 7.225 -4.978 1.00 0.00 C ATOM 184 CG MET A 13 59.991 7.625 -3.507 1.00 0.00 C ATOM 185 SD MET A 13 58.829 8.967 -3.157 1.00 0.00 S ATOM 186 CE MET A 13 57.642 7.990 -2.204 1.00 0.00 C ATOM 0 H MET A 13 62.041 6.295 -5.528 1.00 0.00 H new ATOM 0 HA MET A 13 59.607 5.180 -4.251 1.00 0.00 H new ATOM 0 HB2 MET A 13 60.646 7.730 -5.564 1.00 0.00 H new ATOM 0 HB3 MET A 13 58.914 7.538 -5.379 1.00 0.00 H new ATOM 0 HG2 MET A 13 59.777 6.768 -2.868 1.00 0.00 H new ATOM 0 HG3 MET A 13 61.009 7.943 -3.283 1.00 0.00 H new ATOM 0 HE1 MET A 13 56.735 8.573 -2.046 1.00 0.00 H new ATOM 0 HE2 MET A 13 57.398 7.079 -2.751 1.00 0.00 H new ATOM 0 HE3 MET A 13 58.077 7.728 -1.240 1.00 0.00 H new ATOM 196 N ALA A 14 60.002 4.530 -7.228 1.00 0.00 N ATOM 197 CA ALA A 14 59.347 4.007 -8.460 1.00 0.00 C ATOM 198 C ALA A 14 58.740 2.626 -8.197 1.00 0.00 C ATOM 199 O ALA A 14 57.716 2.272 -8.748 1.00 0.00 O ATOM 200 CB ALA A 14 60.469 3.909 -9.493 1.00 0.00 C ATOM 0 H ALA A 14 60.998 4.327 -7.147 1.00 0.00 H new ATOM 0 HA ALA A 14 58.534 4.650 -8.797 1.00 0.00 H new ATOM 0 HB1 ALA A 14 60.067 3.530 -10.432 1.00 0.00 H new ATOM 0 HB2 ALA A 14 60.901 4.896 -9.655 1.00 0.00 H new ATOM 0 HB3 ALA A 14 61.241 3.231 -9.129 1.00 0.00 H new ATOM 206 N CYS A 15 59.367 1.840 -7.368 1.00 0.00 N ATOM 207 CA CYS A 15 58.833 0.481 -7.079 1.00 0.00 C ATOM 208 C CYS A 15 58.304 0.400 -5.645 1.00 0.00 C ATOM 209 O CYS A 15 57.616 -0.533 -5.282 1.00 0.00 O ATOM 210 CB CYS A 15 60.033 -0.452 -7.226 1.00 0.00 C ATOM 211 SG CYS A 15 60.485 -0.634 -8.973 1.00 0.00 S ATOM 0 H CYS A 15 60.228 2.081 -6.877 1.00 0.00 H new ATOM 0 HA CYS A 15 58.010 0.224 -7.745 1.00 0.00 H new ATOM 0 HB2 CYS A 15 60.879 -0.057 -6.664 1.00 0.00 H new ATOM 0 HB3 CYS A 15 59.797 -1.428 -6.802 1.00 0.00 H new ATOM 0 HG CYS A 15 61.508 -1.429 -9.076 1.00 0.00 H new ATOM 216 N HIS A 16 58.641 1.348 -4.813 1.00 0.00 N ATOM 217 CA HIS A 16 58.174 1.285 -3.398 1.00 0.00 C ATOM 218 C HIS A 16 57.008 2.242 -3.140 1.00 0.00 C ATOM 219 O HIS A 16 56.849 3.248 -3.803 1.00 0.00 O ATOM 220 CB HIS A 16 59.386 1.701 -2.568 1.00 0.00 C ATOM 221 CG HIS A 16 60.237 0.495 -2.283 1.00 0.00 C ATOM 222 ND1 HIS A 16 61.566 0.234 -2.507 1.00 0.00 N flip ATOM 223 CD2 HIS A 16 59.723 -0.642 -1.680 1.00 0.00 C flip ATOM 224 CE1 HIS A 16 61.873 -1.044 -2.049 1.00 0.00 C flip ATOM 225 NE2 HIS A 16 60.729 -1.527 -1.561 1.00 0.00 N flip ATOM 0 H HIS A 16 59.215 2.158 -5.049 1.00 0.00 H new ATOM 0 HA HIS A 16 57.808 0.289 -3.147 1.00 0.00 H new ATOM 0 HB2 HIS A 16 59.967 2.451 -3.105 1.00 0.00 H new ATOM 0 HB3 HIS A 16 59.061 2.159 -1.634 1.00 0.00 H new ATOM 0 HD2 HIS A 16 58.701 -0.790 -1.363 1.00 0.00 H new ATOM 0 HE1 HIS A 16 62.832 -1.539 -2.082 1.00 0.00 H new ATOM 0 HE2 HIS A 16 60.629 -2.454 -1.148 1.00 0.00 H new ATOM 233 N ALA A 17 56.203 1.930 -2.160 1.00 0.00 N ATOM 234 CA ALA A 17 55.047 2.803 -1.814 1.00 0.00 C ATOM 235 C ALA A 17 55.024 3.030 -0.299 1.00 0.00 C ATOM 236 O ALA A 17 54.954 2.095 0.472 1.00 0.00 O ATOM 237 CB ALA A 17 53.812 2.023 -2.264 1.00 0.00 C ATOM 0 H ALA A 17 56.299 1.098 -1.579 1.00 0.00 H new ATOM 0 HA ALA A 17 55.095 3.782 -2.291 1.00 0.00 H new ATOM 0 HB1 ALA A 17 52.915 2.602 -2.043 1.00 0.00 H new ATOM 0 HB2 ALA A 17 53.869 1.838 -3.337 1.00 0.00 H new ATOM 0 HB3 ALA A 17 53.770 1.071 -1.734 1.00 0.00 H new ATOM 243 N ILE A 18 55.094 4.258 0.134 1.00 0.00 N ATOM 244 CA ILE A 18 55.090 4.538 1.601 1.00 0.00 C ATOM 245 C ILE A 18 54.095 3.628 2.323 1.00 0.00 C ATOM 246 O ILE A 18 54.249 3.331 3.491 1.00 0.00 O ATOM 247 CB ILE A 18 54.664 6.001 1.723 1.00 0.00 C ATOM 248 CG1 ILE A 18 55.787 6.903 1.206 1.00 0.00 C ATOM 249 CG2 ILE A 18 54.380 6.329 3.190 1.00 0.00 C ATOM 250 CD1 ILE A 18 55.181 8.132 0.526 1.00 0.00 C ATOM 0 H ILE A 18 55.154 5.082 -0.464 1.00 0.00 H new ATOM 0 HA ILE A 18 56.064 4.354 2.054 1.00 0.00 H new ATOM 0 HB ILE A 18 53.763 6.168 1.133 1.00 0.00 H new ATOM 0 HG12 ILE A 18 56.430 7.210 2.031 1.00 0.00 H new ATOM 0 HG13 ILE A 18 56.413 6.355 0.501 1.00 0.00 H new ATOM 0 HG21 ILE A 18 54.076 7.372 3.277 1.00 0.00 H new ATOM 0 HG22 ILE A 18 53.581 5.686 3.558 1.00 0.00 H new ATOM 0 HG23 ILE A 18 55.281 6.163 3.781 1.00 0.00 H new ATOM 0 HD11 ILE A 18 55.980 8.775 0.157 1.00 0.00 H new ATOM 0 HD12 ILE A 18 54.556 7.815 -0.309 1.00 0.00 H new ATOM 0 HD13 ILE A 18 54.574 8.683 1.244 1.00 0.00 H new ATOM 262 N ASP A 19 53.075 3.183 1.642 1.00 0.00 N ATOM 263 CA ASP A 19 52.078 2.292 2.303 1.00 0.00 C ATOM 264 C ASP A 19 51.411 1.365 1.281 1.00 0.00 C ATOM 265 O ASP A 19 51.102 0.227 1.573 1.00 0.00 O ATOM 266 CB ASP A 19 51.051 3.247 2.916 1.00 0.00 C ATOM 267 CG ASP A 19 50.350 2.561 4.089 1.00 0.00 C ATOM 268 OD1 ASP A 19 49.403 1.831 3.846 1.00 0.00 O ATOM 269 OD2 ASP A 19 50.772 2.778 5.214 1.00 0.00 O ATOM 0 H ASP A 19 52.889 3.396 0.662 1.00 0.00 H new ATOM 0 HA ASP A 19 52.538 1.644 3.049 1.00 0.00 H new ATOM 0 HB2 ASP A 19 51.544 4.158 3.256 1.00 0.00 H new ATOM 0 HB3 ASP A 19 50.319 3.542 2.164 1.00 0.00 H new ATOM 274 N THR A 20 51.182 1.842 0.089 1.00 0.00 N ATOM 275 CA THR A 20 50.528 0.982 -0.944 1.00 0.00 C ATOM 276 C THR A 20 51.478 -0.132 -1.395 1.00 0.00 C ATOM 277 O THR A 20 52.668 -0.081 -1.158 1.00 0.00 O ATOM 278 CB THR A 20 50.200 1.916 -2.114 1.00 0.00 C ATOM 279 OG1 THR A 20 51.144 2.977 -2.160 1.00 0.00 O ATOM 280 CG2 THR A 20 48.793 2.488 -1.930 1.00 0.00 C ATOM 0 H THR A 20 51.417 2.786 -0.216 1.00 0.00 H new ATOM 0 HA THR A 20 49.633 0.497 -0.555 1.00 0.00 H new ATOM 0 HB THR A 20 50.245 1.355 -3.048 1.00 0.00 H new ATOM 0 HG1 THR A 20 50.932 3.571 -2.910 1.00 0.00 H new ATOM 0 HG21 THR A 20 48.559 3.152 -2.762 1.00 0.00 H new ATOM 0 HG22 THR A 20 48.070 1.673 -1.902 1.00 0.00 H new ATOM 0 HG23 THR A 20 48.747 3.047 -0.995 1.00 0.00 H new ATOM 288 N LYS A 21 50.956 -1.144 -2.036 1.00 0.00 N ATOM 289 CA LYS A 21 51.821 -2.266 -2.496 1.00 0.00 C ATOM 290 C LYS A 21 52.077 -2.165 -4.003 1.00 0.00 C ATOM 291 O LYS A 21 51.350 -2.719 -4.802 1.00 0.00 O ATOM 292 CB LYS A 21 51.028 -3.535 -2.173 1.00 0.00 C ATOM 293 CG LYS A 21 51.397 -4.023 -0.771 1.00 0.00 C ATOM 294 CD LYS A 21 51.871 -5.475 -0.841 1.00 0.00 C ATOM 295 CE LYS A 21 52.147 -5.992 0.573 1.00 0.00 C ATOM 296 NZ LYS A 21 50.863 -6.604 1.015 1.00 0.00 N ATOM 0 H LYS A 21 49.966 -1.241 -2.261 1.00 0.00 H new ATOM 0 HA LYS A 21 52.797 -2.256 -2.010 1.00 0.00 H new ATOM 0 HB2 LYS A 21 49.958 -3.333 -2.230 1.00 0.00 H new ATOM 0 HB3 LYS A 21 51.245 -4.310 -2.908 1.00 0.00 H new ATOM 0 HG2 LYS A 21 52.182 -3.394 -0.351 1.00 0.00 H new ATOM 0 HG3 LYS A 21 50.535 -3.943 -0.109 1.00 0.00 H new ATOM 0 HD2 LYS A 21 51.114 -6.093 -1.324 1.00 0.00 H new ATOM 0 HD3 LYS A 21 52.774 -5.545 -1.448 1.00 0.00 H new ATOM 0 HE2 LYS A 21 52.955 -6.724 0.575 1.00 0.00 H new ATOM 0 HE3 LYS A 21 52.448 -5.182 1.238 1.00 0.00 H new ATOM 0 HZ1 LYS A 21 50.972 -6.982 1.978 1.00 0.00 H new ATOM 0 HZ2 LYS A 21 50.114 -5.882 1.009 1.00 0.00 H new ATOM 0 HZ3 LYS A 21 50.605 -7.376 0.367 1.00 0.00 H new ATOM 310 N MET A 22 53.110 -1.472 -4.394 1.00 0.00 N ATOM 311 CA MET A 22 53.413 -1.347 -5.849 1.00 0.00 C ATOM 312 C MET A 22 54.246 -2.549 -6.308 1.00 0.00 C ATOM 313 O MET A 22 53.716 -3.595 -6.626 1.00 0.00 O ATOM 314 CB MET A 22 54.210 -0.048 -5.978 1.00 0.00 C ATOM 315 CG MET A 22 53.248 1.123 -6.191 1.00 0.00 C ATOM 316 SD MET A 22 53.985 2.304 -7.348 1.00 0.00 S ATOM 317 CE MET A 22 55.329 2.864 -6.275 1.00 0.00 C ATOM 0 H MET A 22 53.757 -0.988 -3.772 1.00 0.00 H new ATOM 0 HA MET A 22 52.515 -1.328 -6.466 1.00 0.00 H new ATOM 0 HB2 MET A 22 54.806 0.116 -5.080 1.00 0.00 H new ATOM 0 HB3 MET A 22 54.906 -0.117 -6.814 1.00 0.00 H new ATOM 0 HG2 MET A 22 52.297 0.760 -6.581 1.00 0.00 H new ATOM 0 HG3 MET A 22 53.037 1.612 -5.240 1.00 0.00 H new ATOM 0 HE1 MET A 22 55.791 3.753 -6.705 1.00 0.00 H new ATOM 0 HE2 MET A 22 54.932 3.103 -5.289 1.00 0.00 H new ATOM 0 HE3 MET A 22 56.075 2.075 -6.184 1.00 0.00 H new ATOM 327 N VAL A 23 55.546 -2.415 -6.338 1.00 0.00 N ATOM 328 CA VAL A 23 56.401 -3.557 -6.767 1.00 0.00 C ATOM 329 C VAL A 23 57.003 -4.245 -5.540 1.00 0.00 C ATOM 330 O VAL A 23 57.103 -5.455 -5.477 1.00 0.00 O ATOM 331 CB VAL A 23 57.503 -2.937 -7.625 1.00 0.00 C ATOM 332 CG1 VAL A 23 58.601 -3.974 -7.866 1.00 0.00 C ATOM 333 CG2 VAL A 23 56.918 -2.496 -8.969 1.00 0.00 C ATOM 0 H VAL A 23 56.050 -1.565 -6.084 1.00 0.00 H new ATOM 0 HA VAL A 23 55.838 -4.310 -7.318 1.00 0.00 H new ATOM 0 HB VAL A 23 57.922 -2.072 -7.110 1.00 0.00 H new ATOM 0 HG11 VAL A 23 59.389 -3.534 -8.478 1.00 0.00 H new ATOM 0 HG12 VAL A 23 59.018 -4.291 -6.910 1.00 0.00 H new ATOM 0 HG13 VAL A 23 58.180 -4.837 -8.382 1.00 0.00 H new ATOM 0 HG21 VAL A 23 57.704 -2.054 -9.581 1.00 0.00 H new ATOM 0 HG22 VAL A 23 56.500 -3.360 -9.485 1.00 0.00 H new ATOM 0 HG23 VAL A 23 56.133 -1.759 -8.800 1.00 0.00 H new ATOM 343 N GLY A 24 57.398 -3.477 -4.565 1.00 0.00 N ATOM 344 CA GLY A 24 57.991 -4.070 -3.335 1.00 0.00 C ATOM 345 C GLY A 24 57.078 -3.767 -2.143 1.00 0.00 C ATOM 346 O GLY A 24 56.047 -3.143 -2.301 1.00 0.00 O ATOM 0 H GLY A 24 57.335 -2.459 -4.567 1.00 0.00 H new ATOM 0 HA2 GLY A 24 58.108 -5.147 -3.455 1.00 0.00 H new ATOM 0 HA3 GLY A 24 58.986 -3.659 -3.161 1.00 0.00 H new ATOM 350 N PRO A 25 57.481 -4.220 -0.982 1.00 0.00 N ATOM 351 CA PRO A 25 56.682 -3.990 0.243 1.00 0.00 C ATOM 352 C PRO A 25 56.657 -2.500 0.585 1.00 0.00 C ATOM 353 O PRO A 25 57.683 -1.852 0.633 1.00 0.00 O ATOM 354 CB PRO A 25 57.455 -4.785 1.301 1.00 0.00 C ATOM 355 CG PRO A 25 58.678 -5.440 0.630 1.00 0.00 C ATOM 356 CD PRO A 25 58.747 -4.974 -0.829 1.00 0.00 C ATOM 0 HA PRO A 25 55.639 -4.295 0.155 1.00 0.00 H new ATOM 0 HB2 PRO A 25 57.774 -4.127 2.109 1.00 0.00 H new ATOM 0 HB3 PRO A 25 56.814 -5.547 1.744 1.00 0.00 H new ATOM 0 HG2 PRO A 25 59.591 -5.165 1.158 1.00 0.00 H new ATOM 0 HG3 PRO A 25 58.598 -6.526 0.676 1.00 0.00 H new ATOM 0 HD2 PRO A 25 59.619 -4.346 -1.014 1.00 0.00 H new ATOM 0 HD3 PRO A 25 58.806 -5.814 -1.521 1.00 0.00 H new ATOM 364 N ALA A 26 55.497 -1.950 0.818 1.00 0.00 N ATOM 365 CA ALA A 26 55.420 -0.499 1.153 1.00 0.00 C ATOM 366 C ALA A 26 56.531 -0.135 2.140 1.00 0.00 C ATOM 367 O ALA A 26 56.872 -0.909 3.010 1.00 0.00 O ATOM 368 CB ALA A 26 54.046 -0.308 1.797 1.00 0.00 C ATOM 0 H ALA A 26 54.603 -2.440 0.791 1.00 0.00 H new ATOM 0 HA ALA A 26 55.546 0.137 0.276 1.00 0.00 H new ATOM 0 HB1 ALA A 26 53.915 0.739 2.072 1.00 0.00 H new ATOM 0 HB2 ALA A 26 53.269 -0.597 1.089 1.00 0.00 H new ATOM 0 HB3 ALA A 26 53.973 -0.929 2.690 1.00 0.00 H new ATOM 374 N TYR A 27 57.101 1.032 2.014 1.00 0.00 N ATOM 375 CA TYR A 27 58.190 1.430 2.952 1.00 0.00 C ATOM 376 C TYR A 27 57.713 1.289 4.402 1.00 0.00 C ATOM 377 O TYR A 27 58.380 0.703 5.233 1.00 0.00 O ATOM 378 CB TYR A 27 58.485 2.892 2.614 1.00 0.00 C ATOM 379 CG TYR A 27 59.392 2.972 1.405 1.00 0.00 C ATOM 380 CD1 TYR A 27 60.461 2.076 1.260 1.00 0.00 C ATOM 381 CD2 TYR A 27 59.165 3.951 0.430 1.00 0.00 C ATOM 382 CE1 TYR A 27 61.297 2.161 0.140 1.00 0.00 C ATOM 383 CE2 TYR A 27 60.002 4.035 -0.689 1.00 0.00 C ATOM 384 CZ TYR A 27 61.068 3.141 -0.835 1.00 0.00 C ATOM 385 OH TYR A 27 61.891 3.223 -1.938 1.00 0.00 O ATOM 0 H TYR A 27 56.861 1.725 1.305 1.00 0.00 H new ATOM 0 HA TYR A 27 59.078 0.805 2.852 1.00 0.00 H new ATOM 0 HB2 TYR A 27 57.554 3.423 2.416 1.00 0.00 H new ATOM 0 HB3 TYR A 27 58.957 3.383 3.466 1.00 0.00 H new ATOM 0 HD1 TYR A 27 60.639 1.321 2.012 1.00 0.00 H new ATOM 0 HD2 TYR A 27 58.343 4.642 0.541 1.00 0.00 H new ATOM 0 HE1 TYR A 27 62.120 1.470 0.027 1.00 0.00 H new ATOM 0 HE2 TYR A 27 59.825 4.791 -1.440 1.00 0.00 H new ATOM 0 HH TYR A 27 62.077 2.322 -2.275 1.00 0.00 H new ATOM 395 N LYS A 28 56.561 1.815 4.713 1.00 0.00 N ATOM 396 CA LYS A 28 56.050 1.698 6.109 1.00 0.00 C ATOM 397 C LYS A 28 55.956 0.225 6.504 1.00 0.00 C ATOM 398 O LYS A 28 56.447 -0.187 7.535 1.00 0.00 O ATOM 399 CB LYS A 28 54.659 2.336 6.084 1.00 0.00 C ATOM 400 CG LYS A 28 54.791 3.856 5.965 1.00 0.00 C ATOM 401 CD LYS A 28 53.401 4.477 5.802 1.00 0.00 C ATOM 402 CE LYS A 28 53.092 5.359 7.014 1.00 0.00 C ATOM 403 NZ LYS A 28 53.095 6.752 6.486 1.00 0.00 N ATOM 0 H LYS A 28 55.954 2.318 4.066 1.00 0.00 H new ATOM 0 HA LYS A 28 56.704 2.186 6.832 1.00 0.00 H new ATOM 0 HB2 LYS A 28 54.084 1.944 5.245 1.00 0.00 H new ATOM 0 HB3 LYS A 28 54.114 2.079 6.992 1.00 0.00 H new ATOM 0 HG2 LYS A 28 55.280 4.260 6.851 1.00 0.00 H new ATOM 0 HG3 LYS A 28 55.418 4.112 5.111 1.00 0.00 H new ATOM 0 HD2 LYS A 28 53.360 5.069 4.888 1.00 0.00 H new ATOM 0 HD3 LYS A 28 52.649 3.693 5.708 1.00 0.00 H new ATOM 0 HE2 LYS A 28 52.127 5.105 7.452 1.00 0.00 H new ATOM 0 HE3 LYS A 28 53.840 5.232 7.796 1.00 0.00 H new ATOM 0 HZ1 LYS A 28 52.890 7.417 7.259 1.00 0.00 H new ATOM 0 HZ2 LYS A 28 54.029 6.968 6.082 1.00 0.00 H new ATOM 0 HZ3 LYS A 28 52.368 6.845 5.748 1.00 0.00 H new ATOM 417 N ASP A 29 55.331 -0.570 5.686 1.00 0.00 N ATOM 418 CA ASP A 29 55.204 -2.022 6.004 1.00 0.00 C ATOM 419 C ASP A 29 56.591 -2.651 6.173 1.00 0.00 C ATOM 420 O ASP A 29 56.760 -3.627 6.880 1.00 0.00 O ATOM 421 CB ASP A 29 54.480 -2.630 4.803 1.00 0.00 C ATOM 422 CG ASP A 29 52.985 -2.319 4.895 1.00 0.00 C ATOM 423 OD1 ASP A 29 52.528 -2.022 5.986 1.00 0.00 O ATOM 424 OD2 ASP A 29 52.323 -2.383 3.873 1.00 0.00 O ATOM 0 H ASP A 29 54.901 -0.279 4.808 1.00 0.00 H new ATOM 0 HA ASP A 29 54.663 -2.195 6.934 1.00 0.00 H new ATOM 0 HB2 ASP A 29 54.889 -2.227 3.877 1.00 0.00 H new ATOM 0 HB3 ASP A 29 54.637 -3.708 4.779 1.00 0.00 H new ATOM 429 N VAL A 30 57.587 -2.100 5.532 1.00 0.00 N ATOM 430 CA VAL A 30 58.958 -2.671 5.662 1.00 0.00 C ATOM 431 C VAL A 30 59.472 -2.478 7.085 1.00 0.00 C ATOM 432 O VAL A 30 60.059 -3.365 7.672 1.00 0.00 O ATOM 433 CB VAL A 30 59.823 -1.890 4.672 1.00 0.00 C ATOM 434 CG1 VAL A 30 61.283 -2.328 4.810 1.00 0.00 C ATOM 435 CG2 VAL A 30 59.343 -2.168 3.247 1.00 0.00 C ATOM 0 H VAL A 30 57.511 -1.283 4.927 1.00 0.00 H new ATOM 0 HA VAL A 30 58.976 -3.741 5.454 1.00 0.00 H new ATOM 0 HB VAL A 30 59.742 -0.824 4.884 1.00 0.00 H new ATOM 0 HG11 VAL A 30 61.898 -1.771 4.104 1.00 0.00 H new ATOM 0 HG12 VAL A 30 61.627 -2.132 5.825 1.00 0.00 H new ATOM 0 HG13 VAL A 30 61.364 -3.394 4.599 1.00 0.00 H new ATOM 0 HG21 VAL A 30 59.959 -1.612 2.541 1.00 0.00 H new ATOM 0 HG22 VAL A 30 59.424 -3.235 3.037 1.00 0.00 H new ATOM 0 HG23 VAL A 30 58.303 -1.856 3.146 1.00 0.00 H new ATOM 445 N ALA A 31 59.260 -1.322 7.645 1.00 0.00 N ATOM 446 CA ALA A 31 59.741 -1.074 9.034 1.00 0.00 C ATOM 447 C ALA A 31 58.854 -1.803 10.043 1.00 0.00 C ATOM 448 O ALA A 31 59.267 -2.101 11.146 1.00 0.00 O ATOM 449 CB ALA A 31 59.637 0.438 9.228 1.00 0.00 C ATOM 0 H ALA A 31 58.776 -0.539 7.204 1.00 0.00 H new ATOM 0 HA ALA A 31 60.758 -1.437 9.185 1.00 0.00 H new ATOM 0 HB1 ALA A 31 59.975 0.700 10.231 1.00 0.00 H new ATOM 0 HB2 ALA A 31 60.261 0.943 8.491 1.00 0.00 H new ATOM 0 HB3 ALA A 31 58.601 0.751 9.101 1.00 0.00 H new ATOM 455 N ALA A 32 57.637 -2.089 9.678 1.00 0.00 N ATOM 456 CA ALA A 32 56.726 -2.794 10.620 1.00 0.00 C ATOM 457 C ALA A 32 57.095 -4.277 10.709 1.00 0.00 C ATOM 458 O ALA A 32 56.875 -4.922 11.714 1.00 0.00 O ATOM 459 CB ALA A 32 55.329 -2.622 10.023 1.00 0.00 C ATOM 0 H ALA A 32 57.234 -1.865 8.768 1.00 0.00 H new ATOM 0 HA ALA A 32 56.789 -2.393 11.632 1.00 0.00 H new ATOM 0 HB1 ALA A 32 54.597 -3.116 10.662 1.00 0.00 H new ATOM 0 HB2 ALA A 32 55.092 -1.561 9.953 1.00 0.00 H new ATOM 0 HB3 ALA A 32 55.301 -3.067 9.028 1.00 0.00 H new ATOM 465 N LYS A 33 57.649 -4.824 9.660 1.00 0.00 N ATOM 466 CA LYS A 33 58.025 -6.265 9.683 1.00 0.00 C ATOM 467 C LYS A 33 59.464 -6.445 10.174 1.00 0.00 C ATOM 468 O LYS A 33 59.758 -7.342 10.941 1.00 0.00 O ATOM 469 CB LYS A 33 57.887 -6.738 8.236 1.00 0.00 C ATOM 470 CG LYS A 33 57.998 -8.265 8.188 1.00 0.00 C ATOM 471 CD LYS A 33 56.640 -8.887 8.514 1.00 0.00 C ATOM 472 CE LYS A 33 56.590 -10.316 7.968 1.00 0.00 C ATOM 473 NZ LYS A 33 56.572 -10.157 6.487 1.00 0.00 N ATOM 0 H LYS A 33 57.857 -4.335 8.789 1.00 0.00 H new ATOM 0 HA LYS A 33 57.393 -6.837 10.362 1.00 0.00 H new ATOM 0 HB2 LYS A 33 56.928 -6.419 7.827 1.00 0.00 H new ATOM 0 HB3 LYS A 33 58.663 -6.286 7.618 1.00 0.00 H new ATOM 0 HG2 LYS A 33 58.328 -8.585 7.200 1.00 0.00 H new ATOM 0 HG3 LYS A 33 58.747 -8.608 8.901 1.00 0.00 H new ATOM 0 HD2 LYS A 33 56.480 -8.892 9.592 1.00 0.00 H new ATOM 0 HD3 LYS A 33 55.840 -8.290 8.076 1.00 0.00 H new ATOM 0 HE2 LYS A 33 57.455 -10.894 8.293 1.00 0.00 H new ATOM 0 HE3 LYS A 33 55.703 -10.843 8.320 1.00 0.00 H new ATOM 0 HZ1 LYS A 33 55.739 -10.641 6.096 1.00 0.00 H new ATOM 0 HZ2 LYS A 33 56.530 -9.146 6.247 1.00 0.00 H new ATOM 0 HZ3 LYS A 33 57.435 -10.573 6.083 1.00 0.00 H new ATOM 487 N TYR A 34 60.368 -5.607 9.737 1.00 0.00 N ATOM 488 CA TYR A 34 61.785 -5.751 10.185 1.00 0.00 C ATOM 489 C TYR A 34 61.949 -5.183 11.594 1.00 0.00 C ATOM 490 O TYR A 34 62.985 -5.323 12.214 1.00 0.00 O ATOM 491 CB TYR A 34 62.612 -4.948 9.178 1.00 0.00 C ATOM 492 CG TYR A 34 62.928 -5.818 7.984 1.00 0.00 C ATOM 493 CD1 TYR A 34 63.476 -7.092 8.173 1.00 0.00 C ATOM 494 CD2 TYR A 34 62.672 -5.350 6.690 1.00 0.00 C ATOM 495 CE1 TYR A 34 63.767 -7.900 7.066 1.00 0.00 C ATOM 496 CE2 TYR A 34 62.963 -6.158 5.583 1.00 0.00 C ATOM 497 CZ TYR A 34 63.511 -7.432 5.772 1.00 0.00 C ATOM 498 OH TYR A 34 63.799 -8.228 4.681 1.00 0.00 O ATOM 0 H TYR A 34 60.189 -4.835 9.095 1.00 0.00 H new ATOM 0 HA TYR A 34 62.101 -6.793 10.223 1.00 0.00 H new ATOM 0 HB2 TYR A 34 62.061 -4.063 8.861 1.00 0.00 H new ATOM 0 HB3 TYR A 34 63.534 -4.600 9.643 1.00 0.00 H new ATOM 0 HD1 TYR A 34 63.674 -7.452 9.172 1.00 0.00 H new ATOM 0 HD2 TYR A 34 62.250 -4.366 6.545 1.00 0.00 H new ATOM 0 HE1 TYR A 34 64.189 -8.884 7.211 1.00 0.00 H new ATOM 0 HE2 TYR A 34 62.765 -5.798 4.584 1.00 0.00 H new ATOM 0 HH TYR A 34 63.351 -7.869 3.887 1.00 0.00 H new ATOM 508 N ALA A 35 60.934 -4.545 12.108 1.00 0.00 N ATOM 509 CA ALA A 35 61.037 -3.974 13.481 1.00 0.00 C ATOM 510 C ALA A 35 61.442 -5.062 14.479 1.00 0.00 C ATOM 511 O ALA A 35 60.606 -5.716 15.072 1.00 0.00 O ATOM 512 CB ALA A 35 59.635 -3.452 13.798 1.00 0.00 C ATOM 0 H ALA A 35 60.041 -4.395 11.639 1.00 0.00 H new ATOM 0 HA ALA A 35 61.790 -3.189 13.546 1.00 0.00 H new ATOM 0 HB1 ALA A 35 59.627 -3.014 14.796 1.00 0.00 H new ATOM 0 HB2 ALA A 35 59.355 -2.694 13.067 1.00 0.00 H new ATOM 0 HB3 ALA A 35 58.922 -4.276 13.757 1.00 0.00 H new ATOM 518 N GLY A 36 62.719 -5.263 14.674 1.00 0.00 N ATOM 519 CA GLY A 36 63.167 -6.310 15.637 1.00 0.00 C ATOM 520 C GLY A 36 64.576 -6.786 15.274 1.00 0.00 C ATOM 521 O GLY A 36 65.429 -6.929 16.126 1.00 0.00 O ATOM 0 H GLY A 36 63.468 -4.749 14.210 1.00 0.00 H new ATOM 0 HA2 GLY A 36 63.159 -5.910 16.651 1.00 0.00 H new ATOM 0 HA3 GLY A 36 62.474 -7.151 15.620 1.00 0.00 H new ATOM 525 N GLN A 37 64.826 -7.038 14.016 1.00 0.00 N ATOM 526 CA GLN A 37 66.181 -7.510 13.604 1.00 0.00 C ATOM 527 C GLN A 37 67.264 -6.718 14.344 1.00 0.00 C ATOM 528 O GLN A 37 67.033 -5.622 14.816 1.00 0.00 O ATOM 529 CB GLN A 37 66.257 -7.251 12.098 1.00 0.00 C ATOM 530 CG GLN A 37 65.743 -8.476 11.337 1.00 0.00 C ATOM 531 CD GLN A 37 66.918 -9.392 10.986 1.00 0.00 C ATOM 532 OE1 GLN A 37 67.793 -9.615 11.798 1.00 0.00 O ATOM 533 NE2 GLN A 37 66.974 -9.935 9.800 1.00 0.00 N ATOM 0 H GLN A 37 64.152 -6.938 13.257 1.00 0.00 H new ATOM 0 HA GLN A 37 66.340 -8.562 13.841 1.00 0.00 H new ATOM 0 HB2 GLN A 37 65.663 -6.375 11.840 1.00 0.00 H new ATOM 0 HB3 GLN A 37 67.285 -7.036 11.808 1.00 0.00 H new ATOM 0 HG2 GLN A 37 65.017 -9.016 11.945 1.00 0.00 H new ATOM 0 HG3 GLN A 37 65.229 -8.163 10.428 1.00 0.00 H new ATOM 0 HE21 GLN A 37 66.239 -9.748 9.118 1.00 0.00 H new ATOM 0 HE22 GLN A 37 67.753 -10.547 9.555 1.00 0.00 H new ATOM 542 N ALA A 38 68.443 -7.267 14.456 1.00 0.00 N ATOM 543 CA ALA A 38 69.537 -6.550 15.172 1.00 0.00 C ATOM 544 C ALA A 38 70.333 -5.672 14.202 1.00 0.00 C ATOM 545 O ALA A 38 71.532 -5.809 14.067 1.00 0.00 O ATOM 546 CB ALA A 38 70.430 -7.653 15.741 1.00 0.00 C ATOM 0 H ALA A 38 68.696 -8.182 14.082 1.00 0.00 H new ATOM 0 HA ALA A 38 69.149 -5.891 15.949 1.00 0.00 H new ATOM 0 HB1 ALA A 38 71.261 -7.204 16.284 1.00 0.00 H new ATOM 0 HB2 ALA A 38 69.849 -8.278 16.419 1.00 0.00 H new ATOM 0 HB3 ALA A 38 70.817 -8.264 14.926 1.00 0.00 H new ATOM 552 N GLY A 39 69.678 -4.766 13.532 1.00 0.00 N ATOM 553 CA GLY A 39 70.403 -3.880 12.580 1.00 0.00 C ATOM 554 C GLY A 39 69.939 -4.171 11.153 1.00 0.00 C ATOM 555 O GLY A 39 70.725 -4.511 10.291 1.00 0.00 O ATOM 0 H GLY A 39 68.674 -4.601 13.602 1.00 0.00 H new ATOM 0 HA2 GLY A 39 70.218 -2.835 12.827 1.00 0.00 H new ATOM 0 HA3 GLY A 39 71.478 -4.042 12.664 1.00 0.00 H new ATOM 559 N ALA A 40 68.667 -4.039 10.897 1.00 0.00 N ATOM 560 CA ALA A 40 68.154 -4.307 9.524 1.00 0.00 C ATOM 561 C ALA A 40 68.613 -3.209 8.569 1.00 0.00 C ATOM 562 O ALA A 40 69.048 -3.473 7.469 1.00 0.00 O ATOM 563 CB ALA A 40 66.631 -4.301 9.659 1.00 0.00 C ATOM 0 H ALA A 40 67.961 -3.758 11.578 1.00 0.00 H new ATOM 0 HA ALA A 40 68.521 -5.252 9.123 1.00 0.00 H new ATOM 0 HB1 ALA A 40 66.179 -4.492 8.686 1.00 0.00 H new ATOM 0 HB2 ALA A 40 66.325 -5.077 10.360 1.00 0.00 H new ATOM 0 HB3 ALA A 40 66.302 -3.329 10.027 1.00 0.00 H new ATOM 569 N GLU A 41 68.518 -1.978 8.983 1.00 0.00 N ATOM 570 CA GLU A 41 68.949 -0.858 8.098 1.00 0.00 C ATOM 571 C GLU A 41 70.357 -1.123 7.552 1.00 0.00 C ATOM 572 O GLU A 41 70.657 -0.823 6.414 1.00 0.00 O ATOM 573 CB GLU A 41 68.947 0.382 8.994 1.00 0.00 C ATOM 574 CG GLU A 41 69.775 0.110 10.251 1.00 0.00 C ATOM 575 CD GLU A 41 69.831 1.377 11.107 1.00 0.00 C ATOM 576 OE1 GLU A 41 69.034 2.269 10.861 1.00 0.00 O ATOM 577 OE2 GLU A 41 70.667 1.434 11.994 1.00 0.00 O ATOM 0 H GLU A 41 68.161 -1.697 9.896 1.00 0.00 H new ATOM 0 HA GLU A 41 68.292 -0.739 7.237 1.00 0.00 H new ATOM 0 HB2 GLU A 41 69.358 1.234 8.453 1.00 0.00 H new ATOM 0 HB3 GLU A 41 67.925 0.642 9.269 1.00 0.00 H new ATOM 0 HG2 GLU A 41 69.334 -0.708 10.821 1.00 0.00 H new ATOM 0 HG3 GLU A 41 70.783 -0.201 9.976 1.00 0.00 H new ATOM 584 N ALA A 42 71.221 -1.684 8.354 1.00 0.00 N ATOM 585 CA ALA A 42 72.606 -1.965 7.877 1.00 0.00 C ATOM 586 C ALA A 42 72.569 -2.925 6.685 1.00 0.00 C ATOM 587 O ALA A 42 73.051 -2.620 5.610 1.00 0.00 O ATOM 588 CB ALA A 42 73.312 -2.617 9.067 1.00 0.00 C ATOM 0 H ALA A 42 71.029 -1.960 9.317 1.00 0.00 H new ATOM 0 HA ALA A 42 73.119 -1.063 7.544 1.00 0.00 H new ATOM 0 HB1 ALA A 42 74.340 -2.855 8.794 1.00 0.00 H new ATOM 0 HB2 ALA A 42 73.310 -1.929 9.913 1.00 0.00 H new ATOM 0 HB3 ALA A 42 72.789 -3.533 9.343 1.00 0.00 H new ATOM 594 N TYR A 43 71.995 -4.081 6.865 1.00 0.00 N ATOM 595 CA TYR A 43 71.926 -5.054 5.741 1.00 0.00 C ATOM 596 C TYR A 43 71.010 -4.508 4.650 1.00 0.00 C ATOM 597 O TYR A 43 71.016 -4.972 3.526 1.00 0.00 O ATOM 598 CB TYR A 43 71.354 -6.327 6.366 1.00 0.00 C ATOM 599 CG TYR A 43 71.190 -7.396 5.313 1.00 0.00 C ATOM 600 CD1 TYR A 43 72.316 -8.033 4.779 1.00 0.00 C ATOM 601 CD2 TYR A 43 69.909 -7.756 4.879 1.00 0.00 C ATOM 602 CE1 TYR A 43 72.161 -9.030 3.809 1.00 0.00 C ATOM 603 CE2 TYR A 43 69.754 -8.755 3.910 1.00 0.00 C ATOM 604 CZ TYR A 43 70.880 -9.392 3.374 1.00 0.00 C ATOM 605 OH TYR A 43 70.727 -10.375 2.421 1.00 0.00 O ATOM 0 H TYR A 43 71.572 -4.393 7.739 1.00 0.00 H new ATOM 0 HA TYR A 43 72.893 -5.241 5.273 1.00 0.00 H new ATOM 0 HB2 TYR A 43 72.016 -6.682 7.156 1.00 0.00 H new ATOM 0 HB3 TYR A 43 70.391 -6.112 6.830 1.00 0.00 H new ATOM 0 HD1 TYR A 43 73.304 -7.755 5.115 1.00 0.00 H new ATOM 0 HD2 TYR A 43 69.041 -7.264 5.291 1.00 0.00 H new ATOM 0 HE1 TYR A 43 73.030 -9.520 3.396 1.00 0.00 H new ATOM 0 HE2 TYR A 43 68.766 -9.034 3.576 1.00 0.00 H new ATOM 0 HH TYR A 43 69.774 -10.504 2.234 1.00 0.00 H new ATOM 615 N LEU A 44 70.253 -3.497 4.963 1.00 0.00 N ATOM 616 CA LEU A 44 69.373 -2.889 3.936 1.00 0.00 C ATOM 617 C LEU A 44 70.241 -1.999 3.057 1.00 0.00 C ATOM 618 O LEU A 44 69.990 -1.819 1.886 1.00 0.00 O ATOM 619 CB LEU A 44 68.349 -2.064 4.716 1.00 0.00 C ATOM 620 CG LEU A 44 67.244 -2.984 5.234 1.00 0.00 C ATOM 621 CD1 LEU A 44 66.197 -2.156 5.981 1.00 0.00 C ATOM 622 CD2 LEU A 44 66.583 -3.698 4.053 1.00 0.00 C ATOM 0 H LEU A 44 70.207 -3.066 5.887 1.00 0.00 H new ATOM 0 HA LEU A 44 68.870 -3.616 3.299 1.00 0.00 H new ATOM 0 HB2 LEU A 44 68.834 -1.555 5.549 1.00 0.00 H new ATOM 0 HB3 LEU A 44 67.924 -1.292 4.075 1.00 0.00 H new ATOM 0 HG LEU A 44 67.673 -3.722 5.912 1.00 0.00 H new ATOM 0 HD11 LEU A 44 65.409 -2.813 6.350 1.00 0.00 H new ATOM 0 HD12 LEU A 44 66.668 -1.646 6.822 1.00 0.00 H new ATOM 0 HD13 LEU A 44 65.766 -1.418 5.304 1.00 0.00 H new ATOM 0 HD21 LEU A 44 65.794 -4.355 4.420 1.00 0.00 H new ATOM 0 HD22 LEU A 44 66.154 -2.960 3.375 1.00 0.00 H new ATOM 0 HD23 LEU A 44 67.329 -4.289 3.521 1.00 0.00 H new ATOM 634 N ALA A 45 71.288 -1.465 3.622 1.00 0.00 N ATOM 635 CA ALA A 45 72.205 -0.606 2.831 1.00 0.00 C ATOM 636 C ALA A 45 73.041 -1.486 1.903 1.00 0.00 C ATOM 637 O ALA A 45 73.319 -1.129 0.773 1.00 0.00 O ATOM 638 CB ALA A 45 73.092 0.090 3.863 1.00 0.00 C ATOM 0 H ALA A 45 71.547 -1.589 4.601 1.00 0.00 H new ATOM 0 HA ALA A 45 71.677 0.118 2.210 1.00 0.00 H new ATOM 0 HB1 ALA A 45 73.799 0.745 3.353 1.00 0.00 H new ATOM 0 HB2 ALA A 45 72.471 0.681 4.537 1.00 0.00 H new ATOM 0 HB3 ALA A 45 73.639 -0.658 4.436 1.00 0.00 H new ATOM 644 N GLN A 46 73.435 -2.644 2.365 1.00 0.00 N ATOM 645 CA GLN A 46 74.243 -3.542 1.495 1.00 0.00 C ATOM 646 C GLN A 46 73.344 -4.189 0.445 1.00 0.00 C ATOM 647 O GLN A 46 73.745 -4.411 -0.681 1.00 0.00 O ATOM 648 CB GLN A 46 74.829 -4.592 2.436 1.00 0.00 C ATOM 649 CG GLN A 46 75.888 -3.941 3.326 1.00 0.00 C ATOM 650 CD GLN A 46 76.637 -5.022 4.107 1.00 0.00 C ATOM 651 OE1 GLN A 46 76.216 -6.160 4.149 1.00 0.00 O ATOM 652 NE2 GLN A 46 77.739 -4.710 4.734 1.00 0.00 N ATOM 0 H GLN A 46 73.234 -3.002 3.298 1.00 0.00 H new ATOM 0 HA GLN A 46 75.027 -3.009 0.957 1.00 0.00 H new ATOM 0 HB2 GLN A 46 74.040 -5.027 3.049 1.00 0.00 H new ATOM 0 HB3 GLN A 46 75.271 -5.405 1.861 1.00 0.00 H new ATOM 0 HG2 GLN A 46 76.587 -3.368 2.717 1.00 0.00 H new ATOM 0 HG3 GLN A 46 75.417 -3.240 4.016 1.00 0.00 H new ATOM 0 HE21 GLN A 46 78.093 -3.754 4.699 1.00 0.00 H new ATOM 0 HE22 GLN A 46 78.246 -5.422 5.259 1.00 0.00 H new ATOM 661 N ARG A 47 72.126 -4.482 0.797 1.00 0.00 N ATOM 662 CA ARG A 47 71.199 -5.099 -0.188 1.00 0.00 C ATOM 663 C ARG A 47 70.608 -4.014 -1.080 1.00 0.00 C ATOM 664 O ARG A 47 70.079 -4.292 -2.133 1.00 0.00 O ATOM 665 CB ARG A 47 70.108 -5.765 0.648 1.00 0.00 C ATOM 666 CG ARG A 47 70.729 -6.859 1.514 1.00 0.00 C ATOM 667 CD ARG A 47 70.918 -8.126 0.678 1.00 0.00 C ATOM 668 NE ARG A 47 72.319 -8.550 0.942 1.00 0.00 N ATOM 669 CZ ARG A 47 72.911 -9.395 0.141 1.00 0.00 C ATOM 670 NH1 ARG A 47 72.279 -9.874 -0.896 1.00 0.00 N ATOM 671 NH2 ARG A 47 74.142 -9.760 0.377 1.00 0.00 N ATOM 0 H ARG A 47 71.732 -4.321 1.724 1.00 0.00 H new ATOM 0 HA ARG A 47 71.697 -5.818 -0.838 1.00 0.00 H new ATOM 0 HB2 ARG A 47 69.614 -5.025 1.277 1.00 0.00 H new ATOM 0 HB3 ARG A 47 69.345 -6.191 -0.003 1.00 0.00 H new ATOM 0 HG2 ARG A 47 71.688 -6.524 1.909 1.00 0.00 H new ATOM 0 HG3 ARG A 47 70.088 -7.068 2.370 1.00 0.00 H new ATOM 0 HD2 ARG A 47 70.209 -8.901 0.969 1.00 0.00 H new ATOM 0 HD3 ARG A 47 70.758 -7.928 -0.382 1.00 0.00 H new ATOM 0 HE ARG A 47 72.819 -8.180 1.751 1.00 0.00 H new ATOM 0 HH11 ARG A 47 71.318 -9.589 -1.084 1.00 0.00 H new ATOM 0 HH12 ARG A 47 72.746 -10.534 -1.518 1.00 0.00 H new ATOM 0 HH21 ARG A 47 74.639 -9.385 1.185 1.00 0.00 H new ATOM 0 HH22 ARG A 47 74.607 -10.420 -0.247 1.00 0.00 H new ATOM 685 N ILE A 48 70.702 -2.778 -0.673 1.00 0.00 N ATOM 686 CA ILE A 48 70.151 -1.681 -1.513 1.00 0.00 C ATOM 687 C ILE A 48 71.152 -1.330 -2.619 1.00 0.00 C ATOM 688 O ILE A 48 70.775 -0.981 -3.720 1.00 0.00 O ATOM 689 CB ILE A 48 69.945 -0.505 -0.550 1.00 0.00 C ATOM 690 CG1 ILE A 48 68.580 -0.643 0.131 1.00 0.00 C ATOM 691 CG2 ILE A 48 69.991 0.821 -1.319 1.00 0.00 C ATOM 692 CD1 ILE A 48 68.509 0.314 1.321 1.00 0.00 C ATOM 0 H ILE A 48 71.135 -2.482 0.202 1.00 0.00 H new ATOM 0 HA ILE A 48 69.218 -1.952 -2.007 1.00 0.00 H new ATOM 0 HB ILE A 48 70.738 -0.514 0.197 1.00 0.00 H new ATOM 0 HG12 ILE A 48 67.783 -0.419 -0.578 1.00 0.00 H new ATOM 0 HG13 ILE A 48 68.430 -1.669 0.466 1.00 0.00 H new ATOM 0 HG21 ILE A 48 69.844 1.649 -0.626 1.00 0.00 H new ATOM 0 HG22 ILE A 48 70.960 0.925 -1.808 1.00 0.00 H new ATOM 0 HG23 ILE A 48 69.202 0.833 -2.071 1.00 0.00 H new ATOM 0 HD11 ILE A 48 67.538 0.218 1.808 1.00 0.00 H new ATOM 0 HD12 ILE A 48 69.298 0.069 2.032 1.00 0.00 H new ATOM 0 HD13 ILE A 48 68.640 1.338 0.972 1.00 0.00 H new ATOM 704 N LYS A 49 72.427 -1.418 -2.338 1.00 0.00 N ATOM 705 CA LYS A 49 73.436 -1.085 -3.384 1.00 0.00 C ATOM 706 C LYS A 49 73.700 -2.297 -4.288 1.00 0.00 C ATOM 707 O LYS A 49 74.315 -2.180 -5.329 1.00 0.00 O ATOM 708 CB LYS A 49 74.699 -0.710 -2.610 1.00 0.00 C ATOM 709 CG LYS A 49 75.263 0.603 -3.156 1.00 0.00 C ATOM 710 CD LYS A 49 76.727 0.402 -3.546 1.00 0.00 C ATOM 711 CE LYS A 49 77.023 1.179 -4.830 1.00 0.00 C ATOM 712 NZ LYS A 49 77.181 0.136 -5.881 1.00 0.00 N ATOM 0 H LYS A 49 72.809 -1.704 -1.437 1.00 0.00 H new ATOM 0 HA LYS A 49 73.098 -0.278 -4.035 1.00 0.00 H new ATOM 0 HB2 LYS A 49 74.471 -0.606 -1.549 1.00 0.00 H new ATOM 0 HB3 LYS A 49 75.442 -1.502 -2.700 1.00 0.00 H new ATOM 0 HG2 LYS A 49 74.686 0.928 -4.022 1.00 0.00 H new ATOM 0 HG3 LYS A 49 75.180 1.388 -2.404 1.00 0.00 H new ATOM 0 HD2 LYS A 49 77.379 0.744 -2.742 1.00 0.00 H new ATOM 0 HD3 LYS A 49 76.933 -0.658 -3.694 1.00 0.00 H new ATOM 0 HE2 LYS A 49 76.211 1.865 -5.073 1.00 0.00 H new ATOM 0 HE3 LYS A 49 77.928 1.779 -4.729 1.00 0.00 H new ATOM 0 HZ1 LYS A 49 77.386 0.591 -6.793 1.00 0.00 H new ATOM 0 HZ2 LYS A 49 77.965 -0.498 -5.626 1.00 0.00 H new ATOM 0 HZ3 LYS A 49 76.302 -0.414 -5.959 1.00 0.00 H new ATOM 726 N ASN A 50 73.244 -3.458 -3.900 1.00 0.00 N ATOM 727 CA ASN A 50 73.480 -4.668 -4.743 1.00 0.00 C ATOM 728 C ASN A 50 72.150 -5.326 -5.129 1.00 0.00 C ATOM 729 O ASN A 50 72.109 -6.232 -5.938 1.00 0.00 O ATOM 730 CB ASN A 50 74.308 -5.607 -3.865 1.00 0.00 C ATOM 731 CG ASN A 50 74.455 -6.959 -4.563 1.00 0.00 C ATOM 732 OD1 ASN A 50 74.287 -7.994 -3.949 1.00 0.00 O ATOM 733 ND2 ASN A 50 74.764 -6.995 -5.831 1.00 0.00 N ATOM 0 H ASN A 50 72.721 -3.622 -3.040 1.00 0.00 H new ATOM 0 HA ASN A 50 73.989 -4.423 -5.675 1.00 0.00 H new ATOM 0 HB2 ASN A 50 75.290 -5.174 -3.677 1.00 0.00 H new ATOM 0 HB3 ASN A 50 73.826 -5.736 -2.896 1.00 0.00 H new ATOM 0 HD21 ASN A 50 74.864 -7.892 -6.306 1.00 0.00 H new ATOM 0 HD22 ASN A 50 74.905 -6.126 -6.346 1.00 0.00 H new ATOM 740 N GLY A 51 71.065 -4.884 -4.556 1.00 0.00 N ATOM 741 CA GLY A 51 69.745 -5.493 -4.897 1.00 0.00 C ATOM 742 C GLY A 51 69.764 -6.971 -4.502 1.00 0.00 C ATOM 743 O GLY A 51 70.817 -7.552 -4.333 1.00 0.00 O ATOM 0 H GLY A 51 71.033 -4.131 -3.869 1.00 0.00 H new ATOM 0 HA2 GLY A 51 68.943 -4.973 -4.373 1.00 0.00 H new ATOM 0 HA3 GLY A 51 69.547 -5.391 -5.964 1.00 0.00 H new ATOM 747 N SER A 52 68.623 -7.598 -4.349 1.00 0.00 N ATOM 748 CA SER A 52 68.660 -9.049 -3.961 1.00 0.00 C ATOM 749 C SER A 52 67.259 -9.660 -3.836 1.00 0.00 C ATOM 750 O SER A 52 66.289 -8.978 -3.578 1.00 0.00 O ATOM 751 CB SER A 52 69.365 -9.069 -2.606 1.00 0.00 C ATOM 752 OG SER A 52 69.158 -10.332 -1.989 1.00 0.00 O ATOM 0 H SER A 52 67.696 -7.189 -4.470 1.00 0.00 H new ATOM 0 HA SER A 52 69.170 -9.642 -4.721 1.00 0.00 H new ATOM 0 HB2 SER A 52 70.432 -8.885 -2.735 1.00 0.00 H new ATOM 0 HB3 SER A 52 68.978 -8.273 -1.970 1.00 0.00 H new ATOM 0 HG SER A 52 69.318 -10.255 -1.025 1.00 0.00 H new ATOM 758 N GLN A 53 67.163 -10.958 -4.009 1.00 0.00 N ATOM 759 CA GLN A 53 65.842 -11.649 -3.897 1.00 0.00 C ATOM 760 C GLN A 53 65.770 -12.416 -2.569 1.00 0.00 C ATOM 761 O GLN A 53 66.669 -12.344 -1.756 1.00 0.00 O ATOM 762 CB GLN A 53 65.774 -12.585 -5.129 1.00 0.00 C ATOM 763 CG GLN A 53 65.862 -14.069 -4.737 1.00 0.00 C ATOM 764 CD GLN A 53 67.187 -14.336 -4.021 1.00 0.00 C ATOM 765 OE1 GLN A 53 67.208 -14.604 -2.836 1.00 0.00 O ATOM 766 NE2 GLN A 53 68.302 -14.276 -4.696 1.00 0.00 N ATOM 0 H GLN A 53 67.950 -11.570 -4.224 1.00 0.00 H new ATOM 0 HA GLN A 53 64.995 -10.963 -3.891 1.00 0.00 H new ATOM 0 HB2 GLN A 53 64.843 -12.408 -5.667 1.00 0.00 H new ATOM 0 HB3 GLN A 53 66.588 -12.343 -5.812 1.00 0.00 H new ATOM 0 HG2 GLN A 53 65.027 -14.334 -4.088 1.00 0.00 H new ATOM 0 HG3 GLN A 53 65.785 -14.695 -5.626 1.00 0.00 H new ATOM 0 HE21 GLN A 53 68.284 -14.051 -5.691 1.00 0.00 H new ATOM 0 HE22 GLN A 53 69.191 -14.454 -4.229 1.00 0.00 H new ATOM 775 N GLY A 54 64.709 -13.140 -2.339 1.00 0.00 N ATOM 776 CA GLY A 54 64.594 -13.893 -1.060 1.00 0.00 C ATOM 777 C GLY A 54 64.490 -12.895 0.093 1.00 0.00 C ATOM 778 O GLY A 54 64.580 -13.250 1.250 1.00 0.00 O ATOM 0 H GLY A 54 63.921 -13.242 -2.978 1.00 0.00 H new ATOM 0 HA2 GLY A 54 63.716 -14.539 -1.080 1.00 0.00 H new ATOM 0 HA3 GLY A 54 65.462 -14.539 -0.923 1.00 0.00 H new ATOM 782 N VAL A 55 64.300 -11.643 -0.223 1.00 0.00 N ATOM 783 CA VAL A 55 64.188 -10.607 0.839 1.00 0.00 C ATOM 784 C VAL A 55 62.724 -10.469 1.260 1.00 0.00 C ATOM 785 O VAL A 55 62.363 -10.725 2.393 1.00 0.00 O ATOM 786 CB VAL A 55 64.685 -9.312 0.185 1.00 0.00 C ATOM 787 CG1 VAL A 55 65.164 -8.348 1.266 1.00 0.00 C ATOM 788 CG2 VAL A 55 65.851 -9.610 -0.766 1.00 0.00 C ATOM 0 H VAL A 55 64.217 -11.293 -1.177 1.00 0.00 H new ATOM 0 HA VAL A 55 64.763 -10.853 1.731 1.00 0.00 H new ATOM 0 HB VAL A 55 63.865 -8.867 -0.378 1.00 0.00 H new ATOM 0 HG11 VAL A 55 65.517 -7.427 0.802 1.00 0.00 H new ATOM 0 HG12 VAL A 55 64.340 -8.120 1.942 1.00 0.00 H new ATOM 0 HG13 VAL A 55 65.978 -8.807 1.828 1.00 0.00 H new ATOM 0 HG21 VAL A 55 66.194 -8.682 -1.223 1.00 0.00 H new ATOM 0 HG22 VAL A 55 66.670 -10.063 -0.207 1.00 0.00 H new ATOM 0 HG23 VAL A 55 65.519 -10.297 -1.544 1.00 0.00 H new ATOM 798 N TRP A 56 61.878 -10.076 0.349 1.00 0.00 N ATOM 799 CA TRP A 56 60.436 -9.930 0.676 1.00 0.00 C ATOM 800 C TRP A 56 59.623 -10.934 -0.142 1.00 0.00 C ATOM 801 O TRP A 56 58.619 -11.453 0.304 1.00 0.00 O ATOM 802 CB TRP A 56 60.092 -8.501 0.267 1.00 0.00 C ATOM 803 CG TRP A 56 60.559 -7.559 1.328 1.00 0.00 C ATOM 804 CD1 TRP A 56 61.749 -6.915 1.325 1.00 0.00 C ATOM 805 CD2 TRP A 56 59.873 -7.148 2.544 1.00 0.00 C ATOM 806 NE1 TRP A 56 61.836 -6.134 2.462 1.00 0.00 N ATOM 807 CE2 TRP A 56 60.704 -6.243 3.246 1.00 0.00 C ATOM 808 CE3 TRP A 56 58.622 -7.467 3.102 1.00 0.00 C ATOM 809 CZ2 TRP A 56 60.309 -5.676 4.457 1.00 0.00 C ATOM 810 CZ3 TRP A 56 58.221 -6.898 4.322 1.00 0.00 C ATOM 811 CH2 TRP A 56 59.063 -6.005 4.997 1.00 0.00 C ATOM 0 H TRP A 56 62.127 -9.849 -0.614 1.00 0.00 H new ATOM 0 HA TRP A 56 60.217 -10.117 1.727 1.00 0.00 H new ATOM 0 HB2 TRP A 56 60.565 -8.259 -0.685 1.00 0.00 H new ATOM 0 HB3 TRP A 56 59.016 -8.401 0.123 1.00 0.00 H new ATOM 0 HD1 TRP A 56 62.507 -6.998 0.560 1.00 0.00 H new ATOM 0 HE1 TRP A 56 62.638 -5.548 2.694 1.00 0.00 H new ATOM 0 HE3 TRP A 56 57.965 -8.154 2.589 1.00 0.00 H new ATOM 0 HZ2 TRP A 56 60.961 -4.988 4.974 1.00 0.00 H new ATOM 0 HZ3 TRP A 56 57.258 -7.150 4.742 1.00 0.00 H new ATOM 0 HH2 TRP A 56 58.749 -5.571 5.935 1.00 0.00 H new ATOM 822 N GLY A 57 60.060 -11.212 -1.340 1.00 0.00 N ATOM 823 CA GLY A 57 59.329 -12.183 -2.200 1.00 0.00 C ATOM 824 C GLY A 57 60.226 -12.599 -3.373 1.00 0.00 C ATOM 825 O GLY A 57 61.410 -12.328 -3.368 1.00 0.00 O ATOM 0 H GLY A 57 60.896 -10.806 -1.761 1.00 0.00 H new ATOM 0 HA2 GLY A 57 59.044 -13.059 -1.617 1.00 0.00 H new ATOM 0 HA3 GLY A 57 58.408 -11.734 -2.573 1.00 0.00 H new ATOM 829 N PRO A 58 59.631 -13.244 -4.347 1.00 0.00 N ATOM 830 CA PRO A 58 60.383 -13.704 -5.543 1.00 0.00 C ATOM 831 C PRO A 58 60.833 -12.522 -6.422 1.00 0.00 C ATOM 832 O PRO A 58 61.345 -12.718 -7.506 1.00 0.00 O ATOM 833 CB PRO A 58 59.345 -14.554 -6.281 1.00 0.00 C ATOM 834 CG PRO A 58 58.030 -14.539 -5.477 1.00 0.00 C ATOM 835 CD PRO A 58 58.186 -13.568 -4.301 1.00 0.00 C ATOM 0 HA PRO A 58 61.298 -14.239 -5.289 1.00 0.00 H new ATOM 0 HB2 PRO A 58 59.179 -14.161 -7.284 1.00 0.00 H new ATOM 0 HB3 PRO A 58 59.706 -15.576 -6.395 1.00 0.00 H new ATOM 0 HG2 PRO A 58 57.201 -14.231 -6.114 1.00 0.00 H new ATOM 0 HG3 PRO A 58 57.798 -15.540 -5.113 1.00 0.00 H new ATOM 0 HD2 PRO A 58 57.566 -12.680 -4.422 1.00 0.00 H new ATOM 0 HD3 PRO A 58 57.902 -14.027 -3.354 1.00 0.00 H new ATOM 843 N ILE A 59 60.645 -11.305 -5.980 1.00 0.00 N ATOM 844 CA ILE A 59 61.067 -10.140 -6.813 1.00 0.00 C ATOM 845 C ILE A 59 62.269 -9.427 -6.172 1.00 0.00 C ATOM 846 O ILE A 59 62.098 -8.522 -5.381 1.00 0.00 O ATOM 847 CB ILE A 59 59.852 -9.214 -6.846 1.00 0.00 C ATOM 848 CG1 ILE A 59 58.605 -10.025 -7.207 1.00 0.00 C ATOM 849 CG2 ILE A 59 60.073 -8.122 -7.894 1.00 0.00 C ATOM 850 CD1 ILE A 59 57.411 -9.083 -7.369 1.00 0.00 C ATOM 0 H ILE A 59 60.220 -11.069 -5.083 1.00 0.00 H new ATOM 0 HA ILE A 59 61.377 -10.444 -7.813 1.00 0.00 H new ATOM 0 HB ILE A 59 59.716 -8.755 -5.867 1.00 0.00 H new ATOM 0 HG12 ILE A 59 58.773 -10.578 -8.131 1.00 0.00 H new ATOM 0 HG13 ILE A 59 58.399 -10.760 -6.429 1.00 0.00 H new ATOM 0 HG21 ILE A 59 59.207 -7.461 -7.919 1.00 0.00 H new ATOM 0 HG22 ILE A 59 60.962 -7.546 -7.637 1.00 0.00 H new ATOM 0 HG23 ILE A 59 60.208 -8.580 -8.874 1.00 0.00 H new ATOM 0 HD11 ILE A 59 56.524 -9.661 -7.626 1.00 0.00 H new ATOM 0 HD12 ILE A 59 57.239 -8.550 -6.434 1.00 0.00 H new ATOM 0 HD13 ILE A 59 57.619 -8.365 -8.163 1.00 0.00 H new ATOM 862 N PRO A 60 63.450 -9.859 -6.541 1.00 0.00 N ATOM 863 CA PRO A 60 64.694 -9.256 -6.001 1.00 0.00 C ATOM 864 C PRO A 60 64.800 -7.779 -6.374 1.00 0.00 C ATOM 865 O PRO A 60 64.482 -7.386 -7.478 1.00 0.00 O ATOM 866 CB PRO A 60 65.790 -10.041 -6.722 1.00 0.00 C ATOM 867 CG PRO A 60 65.132 -11.075 -7.655 1.00 0.00 C ATOM 868 CD PRO A 60 63.609 -10.971 -7.508 1.00 0.00 C ATOM 0 HA PRO A 60 64.746 -9.304 -4.913 1.00 0.00 H new ATOM 0 HB2 PRO A 60 66.423 -9.364 -7.296 1.00 0.00 H new ATOM 0 HB3 PRO A 60 66.433 -10.542 -5.998 1.00 0.00 H new ATOM 0 HG2 PRO A 60 65.425 -10.892 -8.689 1.00 0.00 H new ATOM 0 HG3 PRO A 60 65.468 -12.080 -7.402 1.00 0.00 H new ATOM 0 HD2 PRO A 60 63.124 -10.752 -8.460 1.00 0.00 H new ATOM 0 HD3 PRO A 60 63.174 -11.898 -7.134 1.00 0.00 H new ATOM 876 N MET A 61 65.279 -6.963 -5.479 1.00 0.00 N ATOM 877 CA MET A 61 65.437 -5.528 -5.815 1.00 0.00 C ATOM 878 C MET A 61 66.600 -5.374 -6.794 1.00 0.00 C ATOM 879 O MET A 61 67.677 -5.867 -6.527 1.00 0.00 O ATOM 880 CB MET A 61 65.783 -4.849 -4.499 1.00 0.00 C ATOM 881 CG MET A 61 66.281 -3.429 -4.779 1.00 0.00 C ATOM 882 SD MET A 61 66.403 -2.511 -3.224 1.00 0.00 S ATOM 883 CE MET A 61 67.459 -3.692 -2.358 1.00 0.00 C ATOM 0 H MET A 61 65.565 -7.228 -4.536 1.00 0.00 H new ATOM 0 HA MET A 61 64.544 -5.102 -6.272 1.00 0.00 H new ATOM 0 HB2 MET A 61 64.907 -4.819 -3.851 1.00 0.00 H new ATOM 0 HB3 MET A 61 66.549 -5.418 -3.973 1.00 0.00 H new ATOM 0 HG2 MET A 61 67.254 -3.464 -5.270 1.00 0.00 H new ATOM 0 HG3 MET A 61 65.598 -2.921 -5.460 1.00 0.00 H new ATOM 0 HE1 MET A 61 67.871 -3.224 -1.464 1.00 0.00 H new ATOM 0 HE2 MET A 61 66.871 -4.565 -2.073 1.00 0.00 H new ATOM 0 HE3 MET A 61 68.273 -4.001 -3.014 1.00 0.00 H new ATOM 893 N PRO A 62 66.365 -4.696 -7.890 1.00 0.00 N ATOM 894 CA PRO A 62 67.438 -4.486 -8.884 1.00 0.00 C ATOM 895 C PRO A 62 68.566 -3.665 -8.249 1.00 0.00 C ATOM 896 O PRO A 62 68.306 -2.645 -7.639 1.00 0.00 O ATOM 897 CB PRO A 62 66.729 -3.691 -9.984 1.00 0.00 C ATOM 898 CG PRO A 62 65.262 -3.471 -9.568 1.00 0.00 C ATOM 899 CD PRO A 62 65.037 -4.115 -8.194 1.00 0.00 C ATOM 0 HA PRO A 62 67.894 -5.404 -9.255 1.00 0.00 H new ATOM 0 HB2 PRO A 62 67.226 -2.733 -10.138 1.00 0.00 H new ATOM 0 HB3 PRO A 62 66.777 -4.230 -10.930 1.00 0.00 H new ATOM 0 HG2 PRO A 62 65.037 -2.405 -9.527 1.00 0.00 H new ATOM 0 HG3 PRO A 62 64.590 -3.910 -10.306 1.00 0.00 H new ATOM 0 HD2 PRO A 62 64.735 -3.381 -7.447 1.00 0.00 H new ATOM 0 HD3 PRO A 62 64.258 -4.877 -8.226 1.00 0.00 H new ATOM 907 N PRO A 63 69.783 -4.124 -8.397 1.00 0.00 N ATOM 908 CA PRO A 63 70.931 -3.399 -7.810 1.00 0.00 C ATOM 909 C PRO A 63 70.966 -1.965 -8.337 1.00 0.00 C ATOM 910 O PRO A 63 70.857 -1.725 -9.523 1.00 0.00 O ATOM 911 CB PRO A 63 72.130 -4.212 -8.299 1.00 0.00 C ATOM 912 CG PRO A 63 71.615 -5.386 -9.157 1.00 0.00 C ATOM 913 CD PRO A 63 70.079 -5.364 -9.150 1.00 0.00 C ATOM 0 HA PRO A 63 70.899 -3.314 -6.724 1.00 0.00 H new ATOM 0 HB2 PRO A 63 72.800 -3.582 -8.884 1.00 0.00 H new ATOM 0 HB3 PRO A 63 72.704 -4.587 -7.451 1.00 0.00 H new ATOM 0 HG2 PRO A 63 71.990 -5.301 -10.177 1.00 0.00 H new ATOM 0 HG3 PRO A 63 71.981 -6.333 -8.761 1.00 0.00 H new ATOM 0 HD2 PRO A 63 69.668 -5.334 -10.159 1.00 0.00 H new ATOM 0 HD3 PRO A 63 69.662 -6.245 -8.662 1.00 0.00 H new ATOM 921 N ASN A 64 71.101 -1.011 -7.463 1.00 0.00 N ATOM 922 CA ASN A 64 71.124 0.408 -7.908 1.00 0.00 C ATOM 923 C ASN A 64 72.545 0.967 -7.844 1.00 0.00 C ATOM 924 O ASN A 64 73.415 0.410 -7.205 1.00 0.00 O ATOM 925 CB ASN A 64 70.217 1.134 -6.916 1.00 0.00 C ATOM 926 CG ASN A 64 68.858 0.435 -6.870 1.00 0.00 C ATOM 927 OD1 ASN A 64 68.731 -0.677 -6.198 1.00 0.00 O flip ATOM 928 ND2 ASN A 64 67.900 0.907 -7.451 1.00 0.00 N flip ATOM 0 H ASN A 64 71.197 -1.152 -6.457 1.00 0.00 H new ATOM 0 HA ASN A 64 70.790 0.526 -8.939 1.00 0.00 H new ATOM 0 HB2 ASN A 64 70.671 1.137 -5.925 1.00 0.00 H new ATOM 0 HB3 ASN A 64 70.093 2.175 -7.213 1.00 0.00 H new ATOM 0 HD21 ASN A 64 67.999 1.776 -7.976 1.00 0.00 H new ATOM 0 HD22 ASN A 64 66.997 0.434 -7.413 1.00 0.00 H new ATOM 935 N ALA A 65 72.783 2.072 -8.495 1.00 0.00 N ATOM 936 CA ALA A 65 74.145 2.672 -8.465 1.00 0.00 C ATOM 937 C ALA A 65 74.242 3.674 -7.316 1.00 0.00 C ATOM 938 O ALA A 65 74.973 4.643 -7.378 1.00 0.00 O ATOM 939 CB ALA A 65 74.300 3.374 -9.814 1.00 0.00 C ATOM 0 H ALA A 65 72.094 2.584 -9.046 1.00 0.00 H new ATOM 0 HA ALA A 65 74.927 1.929 -8.308 1.00 0.00 H new ATOM 0 HB1 ALA A 65 75.282 3.843 -9.869 1.00 0.00 H new ATOM 0 HB2 ALA A 65 74.200 2.644 -10.617 1.00 0.00 H new ATOM 0 HB3 ALA A 65 73.528 4.136 -9.918 1.00 0.00 H new ATOM 945 N VAL A 66 73.509 3.441 -6.265 1.00 0.00 N ATOM 946 CA VAL A 66 73.554 4.371 -5.101 1.00 0.00 C ATOM 947 C VAL A 66 74.860 4.176 -4.332 1.00 0.00 C ATOM 948 O VAL A 66 75.114 3.124 -3.781 1.00 0.00 O ATOM 949 CB VAL A 66 72.353 3.987 -4.228 1.00 0.00 C ATOM 950 CG1 VAL A 66 71.059 4.388 -4.937 1.00 0.00 C ATOM 951 CG2 VAL A 66 72.352 2.475 -3.991 1.00 0.00 C ATOM 0 H VAL A 66 72.879 2.646 -6.160 1.00 0.00 H new ATOM 0 HA VAL A 66 73.511 5.417 -5.405 1.00 0.00 H new ATOM 0 HB VAL A 66 72.423 4.505 -3.271 1.00 0.00 H new ATOM 0 HG11 VAL A 66 70.205 4.115 -4.317 1.00 0.00 H new ATOM 0 HG12 VAL A 66 71.056 5.465 -5.106 1.00 0.00 H new ATOM 0 HG13 VAL A 66 70.993 3.870 -5.894 1.00 0.00 H new ATOM 0 HG21 VAL A 66 71.498 2.205 -3.370 1.00 0.00 H new ATOM 0 HG22 VAL A 66 72.284 1.957 -4.948 1.00 0.00 H new ATOM 0 HG23 VAL A 66 73.273 2.185 -3.486 1.00 0.00 H new ATOM 961 N SER A 67 75.693 5.181 -4.292 1.00 0.00 N ATOM 962 CA SER A 67 76.981 5.049 -3.554 1.00 0.00 C ATOM 963 C SER A 67 76.720 4.476 -2.160 1.00 0.00 C ATOM 964 O SER A 67 75.597 4.205 -1.793 1.00 0.00 O ATOM 965 CB SER A 67 77.532 6.471 -3.458 1.00 0.00 C ATOM 966 OG SER A 67 78.721 6.568 -4.230 1.00 0.00 O ATOM 0 H SER A 67 75.537 6.085 -4.737 1.00 0.00 H new ATOM 0 HA SER A 67 77.682 4.379 -4.052 1.00 0.00 H new ATOM 0 HB2 SER A 67 76.792 7.185 -3.819 1.00 0.00 H new ATOM 0 HB3 SER A 67 77.739 6.724 -2.418 1.00 0.00 H new ATOM 0 HG SER A 67 79.076 7.480 -4.171 1.00 0.00 H new ATOM 972 N ASP A 68 77.746 4.289 -1.379 1.00 0.00 N ATOM 973 CA ASP A 68 77.538 3.733 -0.011 1.00 0.00 C ATOM 974 C ASP A 68 76.740 4.719 0.845 1.00 0.00 C ATOM 975 O ASP A 68 75.603 4.473 1.195 1.00 0.00 O ATOM 976 CB ASP A 68 78.946 3.540 0.557 1.00 0.00 C ATOM 977 CG ASP A 68 78.868 3.377 2.078 1.00 0.00 C ATOM 978 OD1 ASP A 68 78.453 2.319 2.520 1.00 0.00 O ATOM 979 OD2 ASP A 68 79.224 4.314 2.772 1.00 0.00 O ATOM 0 H ASP A 68 78.714 4.495 -1.625 1.00 0.00 H new ATOM 0 HA ASP A 68 76.975 2.800 -0.025 1.00 0.00 H new ATOM 0 HB2 ASP A 68 79.412 2.662 0.110 1.00 0.00 H new ATOM 0 HB3 ASP A 68 79.572 4.396 0.304 1.00 0.00 H new ATOM 984 N ASP A 69 77.327 5.831 1.187 1.00 0.00 N ATOM 985 CA ASP A 69 76.599 6.828 2.023 1.00 0.00 C ATOM 986 C ASP A 69 75.180 7.036 1.489 1.00 0.00 C ATOM 987 O ASP A 69 74.259 7.299 2.235 1.00 0.00 O ATOM 988 CB ASP A 69 77.411 8.119 1.905 1.00 0.00 C ATOM 989 CG ASP A 69 77.007 9.076 3.027 1.00 0.00 C ATOM 990 OD1 ASP A 69 76.146 8.708 3.810 1.00 0.00 O ATOM 991 OD2 ASP A 69 77.565 10.159 3.086 1.00 0.00 O ATOM 0 H ASP A 69 78.277 6.093 0.925 1.00 0.00 H new ATOM 0 HA ASP A 69 76.503 6.501 3.058 1.00 0.00 H new ATOM 0 HB2 ASP A 69 78.477 7.898 1.966 1.00 0.00 H new ATOM 0 HB3 ASP A 69 77.237 8.584 0.935 1.00 0.00 H new ATOM 996 N GLU A 70 74.996 6.923 0.201 1.00 0.00 N ATOM 997 CA GLU A 70 73.636 7.117 -0.374 1.00 0.00 C ATOM 998 C GLU A 70 72.709 5.978 0.056 1.00 0.00 C ATOM 999 O GLU A 70 71.630 6.203 0.564 1.00 0.00 O ATOM 1000 CB GLU A 70 73.839 7.114 -1.889 1.00 0.00 C ATOM 1001 CG GLU A 70 73.441 8.478 -2.461 1.00 0.00 C ATOM 1002 CD GLU A 70 74.692 9.334 -2.671 1.00 0.00 C ATOM 1003 OE1 GLU A 70 75.449 9.486 -1.726 1.00 0.00 O ATOM 1004 OE2 GLU A 70 74.872 9.826 -3.774 1.00 0.00 O ATOM 0 H GLU A 70 75.728 6.705 -0.476 1.00 0.00 H new ATOM 0 HA GLU A 70 73.172 8.042 -0.032 1.00 0.00 H new ATOM 0 HB2 GLU A 70 74.881 6.898 -2.126 1.00 0.00 H new ATOM 0 HB3 GLU A 70 73.238 6.327 -2.345 1.00 0.00 H new ATOM 0 HG2 GLU A 70 72.915 8.347 -3.407 1.00 0.00 H new ATOM 0 HG3 GLU A 70 72.754 8.982 -1.781 1.00 0.00 H new ATOM 1011 N ALA A 71 73.125 4.759 -0.132 1.00 0.00 N ATOM 1012 CA ALA A 71 72.267 3.610 0.277 1.00 0.00 C ATOM 1013 C ALA A 71 72.077 3.634 1.794 1.00 0.00 C ATOM 1014 O ALA A 71 71.140 3.071 2.324 1.00 0.00 O ATOM 1015 CB ALA A 71 73.038 2.361 -0.149 1.00 0.00 C ATOM 0 H ALA A 71 74.020 4.506 -0.550 1.00 0.00 H new ATOM 0 HA ALA A 71 71.277 3.642 -0.178 1.00 0.00 H new ATOM 0 HB1 ALA A 71 72.468 1.472 0.120 1.00 0.00 H new ATOM 0 HB2 ALA A 71 73.194 2.380 -1.228 1.00 0.00 H new ATOM 0 HB3 ALA A 71 74.003 2.339 0.357 1.00 0.00 H new ATOM 1021 N GLN A 72 72.957 4.297 2.495 1.00 0.00 N ATOM 1022 CA GLN A 72 72.824 4.374 3.974 1.00 0.00 C ATOM 1023 C GLN A 72 71.646 5.278 4.315 1.00 0.00 C ATOM 1024 O GLN A 72 70.793 4.938 5.112 1.00 0.00 O ATOM 1025 CB GLN A 72 74.139 4.980 4.464 1.00 0.00 C ATOM 1026 CG GLN A 72 75.140 3.860 4.755 1.00 0.00 C ATOM 1027 CD GLN A 72 75.885 4.170 6.053 1.00 0.00 C ATOM 1028 OE1 GLN A 72 75.473 3.754 7.117 1.00 0.00 O ATOM 1029 NE2 GLN A 72 76.976 4.885 6.009 1.00 0.00 N ATOM 0 H GLN A 72 73.762 4.788 2.105 1.00 0.00 H new ATOM 0 HA GLN A 72 72.642 3.405 4.439 1.00 0.00 H new ATOM 0 HB2 GLN A 72 74.543 5.657 3.711 1.00 0.00 H new ATOM 0 HB3 GLN A 72 73.967 5.571 5.364 1.00 0.00 H new ATOM 0 HG2 GLN A 72 74.620 2.906 4.840 1.00 0.00 H new ATOM 0 HG3 GLN A 72 75.847 3.766 3.931 1.00 0.00 H new ATOM 0 HE21 GLN A 72 77.321 5.234 5.115 1.00 0.00 H new ATOM 0 HE22 GLN A 72 77.483 5.095 6.869 1.00 0.00 H new ATOM 1038 N THR A 73 71.580 6.419 3.691 1.00 0.00 N ATOM 1039 CA THR A 73 70.440 7.337 3.946 1.00 0.00 C ATOM 1040 C THR A 73 69.173 6.698 3.386 1.00 0.00 C ATOM 1041 O THR A 73 68.073 6.974 3.821 1.00 0.00 O ATOM 1042 CB THR A 73 70.780 8.619 3.186 1.00 0.00 C ATOM 1043 OG1 THR A 73 72.189 8.810 3.189 1.00 0.00 O ATOM 1044 CG2 THR A 73 70.100 9.812 3.857 1.00 0.00 C ATOM 0 H THR A 73 72.267 6.755 3.016 1.00 0.00 H new ATOM 0 HA THR A 73 70.277 7.539 5.005 1.00 0.00 H new ATOM 0 HB THR A 73 70.426 8.536 2.159 1.00 0.00 H new ATOM 0 HG1 THR A 73 72.409 9.631 2.701 1.00 0.00 H new ATOM 0 HG21 THR A 73 70.345 10.724 3.312 1.00 0.00 H new ATOM 0 HG22 THR A 73 69.020 9.665 3.852 1.00 0.00 H new ATOM 0 HG23 THR A 73 70.450 9.899 4.886 1.00 0.00 H new ATOM 1052 N LEU A 74 69.330 5.827 2.423 1.00 0.00 N ATOM 1053 CA LEU A 74 68.146 5.146 1.829 1.00 0.00 C ATOM 1054 C LEU A 74 67.542 4.188 2.858 1.00 0.00 C ATOM 1055 O LEU A 74 66.341 4.101 3.011 1.00 0.00 O ATOM 1056 CB LEU A 74 68.691 4.379 0.621 1.00 0.00 C ATOM 1057 CG LEU A 74 69.014 5.366 -0.503 1.00 0.00 C ATOM 1058 CD1 LEU A 74 69.733 4.636 -1.639 1.00 0.00 C ATOM 1059 CD2 LEU A 74 67.714 5.976 -1.030 1.00 0.00 C ATOM 0 H LEU A 74 70.229 5.559 2.023 1.00 0.00 H new ATOM 0 HA LEU A 74 67.360 5.842 1.536 1.00 0.00 H new ATOM 0 HB2 LEU A 74 69.587 3.825 0.902 1.00 0.00 H new ATOM 0 HB3 LEU A 74 67.958 3.648 0.279 1.00 0.00 H new ATOM 0 HG LEU A 74 69.659 6.156 -0.118 1.00 0.00 H new ATOM 0 HD11 LEU A 74 69.962 5.342 -2.438 1.00 0.00 H new ATOM 0 HD12 LEU A 74 70.659 4.201 -1.263 1.00 0.00 H new ATOM 0 HD13 LEU A 74 69.091 3.845 -2.027 1.00 0.00 H new ATOM 0 HD21 LEU A 74 67.941 6.680 -1.831 1.00 0.00 H new ATOM 0 HD22 LEU A 74 67.070 5.185 -1.414 1.00 0.00 H new ATOM 0 HD23 LEU A 74 67.203 6.499 -0.221 1.00 0.00 H new ATOM 1071 N ALA A 75 68.370 3.480 3.579 1.00 0.00 N ATOM 1072 CA ALA A 75 67.841 2.543 4.609 1.00 0.00 C ATOM 1073 C ALA A 75 67.192 3.344 5.738 1.00 0.00 C ATOM 1074 O ALA A 75 66.080 3.074 6.147 1.00 0.00 O ATOM 1075 CB ALA A 75 69.062 1.780 5.124 1.00 0.00 C ATOM 0 H ALA A 75 69.386 3.510 3.499 1.00 0.00 H new ATOM 0 HA ALA A 75 67.085 1.865 4.211 1.00 0.00 H new ATOM 0 HB1 ALA A 75 68.750 1.068 5.889 1.00 0.00 H new ATOM 0 HB2 ALA A 75 69.531 1.244 4.299 1.00 0.00 H new ATOM 0 HB3 ALA A 75 69.776 2.483 5.552 1.00 0.00 H new ATOM 1081 N LYS A 76 67.877 4.337 6.236 1.00 0.00 N ATOM 1082 CA LYS A 76 67.298 5.166 7.329 1.00 0.00 C ATOM 1083 C LYS A 76 66.054 5.889 6.815 1.00 0.00 C ATOM 1084 O LYS A 76 65.223 6.336 7.578 1.00 0.00 O ATOM 1085 CB LYS A 76 68.392 6.172 7.687 1.00 0.00 C ATOM 1086 CG LYS A 76 69.254 5.610 8.818 1.00 0.00 C ATOM 1087 CD LYS A 76 69.518 6.707 9.853 1.00 0.00 C ATOM 1088 CE LYS A 76 70.726 7.537 9.417 1.00 0.00 C ATOM 1089 NZ LYS A 76 71.704 7.413 10.534 1.00 0.00 N ATOM 0 H LYS A 76 68.812 4.609 5.933 1.00 0.00 H new ATOM 0 HA LYS A 76 66.998 4.573 8.193 1.00 0.00 H new ATOM 0 HB2 LYS A 76 69.010 6.379 6.813 1.00 0.00 H new ATOM 0 HB3 LYS A 76 67.945 7.118 7.992 1.00 0.00 H new ATOM 0 HG2 LYS A 76 68.750 4.765 9.288 1.00 0.00 H new ATOM 0 HG3 LYS A 76 70.197 5.237 8.419 1.00 0.00 H new ATOM 0 HD2 LYS A 76 68.641 7.346 9.953 1.00 0.00 H new ATOM 0 HD3 LYS A 76 69.702 6.263 10.831 1.00 0.00 H new ATOM 0 HE2 LYS A 76 71.145 7.163 8.483 1.00 0.00 H new ATOM 0 HE3 LYS A 76 70.449 8.578 9.249 1.00 0.00 H new ATOM 0 HZ1 LYS A 76 72.561 7.957 10.307 1.00 0.00 H new ATOM 0 HZ2 LYS A 76 71.280 7.783 11.409 1.00 0.00 H new ATOM 0 HZ3 LYS A 76 71.954 6.412 10.667 1.00 0.00 H new ATOM 1103 N TRP A 77 65.920 6.003 5.521 1.00 0.00 N ATOM 1104 CA TRP A 77 64.731 6.694 4.951 1.00 0.00 C ATOM 1105 C TRP A 77 63.517 5.761 4.978 1.00 0.00 C ATOM 1106 O TRP A 77 62.438 6.146 5.379 1.00 0.00 O ATOM 1107 CB TRP A 77 65.123 7.035 3.515 1.00 0.00 C ATOM 1108 CG TRP A 77 63.949 7.635 2.813 1.00 0.00 C ATOM 1109 CD1 TRP A 77 63.300 8.758 3.200 1.00 0.00 C ATOM 1110 CD2 TRP A 77 63.274 7.166 1.613 1.00 0.00 C ATOM 1111 NE1 TRP A 77 62.269 9.007 2.309 1.00 0.00 N ATOM 1112 CE2 TRP A 77 62.214 8.052 1.315 1.00 0.00 C ATOM 1113 CE3 TRP A 77 63.480 6.067 0.765 1.00 0.00 C ATOM 1114 CZ2 TRP A 77 61.386 7.855 0.209 1.00 0.00 C ATOM 1115 CZ3 TRP A 77 62.648 5.863 -0.348 1.00 0.00 C ATOM 1116 CH2 TRP A 77 61.603 6.757 -0.625 1.00 0.00 C ATOM 0 H TRP A 77 66.584 5.646 4.834 1.00 0.00 H new ATOM 0 HA TRP A 77 64.456 7.584 5.516 1.00 0.00 H new ATOM 0 HB2 TRP A 77 65.960 7.733 3.510 1.00 0.00 H new ATOM 0 HB3 TRP A 77 65.454 6.137 2.993 1.00 0.00 H new ATOM 0 HD1 TRP A 77 63.546 9.361 4.062 1.00 0.00 H new ATOM 0 HE1 TRP A 77 61.630 9.799 2.379 1.00 0.00 H new ATOM 0 HE3 TRP A 77 64.283 5.374 0.969 1.00 0.00 H new ATOM 0 HZ2 TRP A 77 60.583 8.547 -0.000 1.00 0.00 H new ATOM 0 HZ3 TRP A 77 62.814 5.013 -0.994 1.00 0.00 H new ATOM 0 HH2 TRP A 77 60.967 6.596 -1.483 1.00 0.00 H new ATOM 1127 N ILE A 78 63.684 4.534 4.561 1.00 0.00 N ATOM 1128 CA ILE A 78 62.533 3.585 4.578 1.00 0.00 C ATOM 1129 C ILE A 78 62.072 3.367 6.018 1.00 0.00 C ATOM 1130 O ILE A 78 60.900 3.448 6.326 1.00 0.00 O ATOM 1131 CB ILE A 78 63.068 2.278 3.987 1.00 0.00 C ATOM 1132 CG1 ILE A 78 63.411 2.471 2.505 1.00 0.00 C ATOM 1133 CG2 ILE A 78 62.003 1.188 4.119 1.00 0.00 C ATOM 1134 CD1 ILE A 78 64.881 2.122 2.272 1.00 0.00 C ATOM 0 H ILE A 78 64.562 4.150 4.211 1.00 0.00 H new ATOM 0 HA ILE A 78 61.681 3.960 4.011 1.00 0.00 H new ATOM 0 HB ILE A 78 63.968 1.986 4.528 1.00 0.00 H new ATOM 0 HG12 ILE A 78 62.774 1.838 1.888 1.00 0.00 H new ATOM 0 HG13 ILE A 78 63.219 3.502 2.208 1.00 0.00 H new ATOM 0 HG21 ILE A 78 62.382 0.256 3.699 1.00 0.00 H new ATOM 0 HG22 ILE A 78 61.763 1.040 5.172 1.00 0.00 H new ATOM 0 HG23 ILE A 78 61.105 1.490 3.581 1.00 0.00 H new ATOM 0 HD11 ILE A 78 65.125 2.259 1.219 1.00 0.00 H new ATOM 0 HD12 ILE A 78 65.510 2.774 2.878 1.00 0.00 H new ATOM 0 HD13 ILE A 78 65.057 1.084 2.553 1.00 0.00 H new ATOM 1146 N LEU A 79 62.989 3.097 6.906 1.00 0.00 N ATOM 1147 CA LEU A 79 62.605 2.882 8.328 1.00 0.00 C ATOM 1148 C LEU A 79 62.196 4.212 8.961 1.00 0.00 C ATOM 1149 O LEU A 79 61.609 4.253 10.024 1.00 0.00 O ATOM 1150 CB LEU A 79 63.860 2.324 8.998 1.00 0.00 C ATOM 1151 CG LEU A 79 63.917 0.811 8.785 1.00 0.00 C ATOM 1152 CD1 LEU A 79 65.212 0.443 8.058 1.00 0.00 C ATOM 1153 CD2 LEU A 79 63.875 0.106 10.143 1.00 0.00 C ATOM 0 H LEU A 79 63.986 3.016 6.708 1.00 0.00 H new ATOM 0 HA LEU A 79 61.758 2.204 8.435 1.00 0.00 H new ATOM 0 HB2 LEU A 79 64.749 2.795 8.580 1.00 0.00 H new ATOM 0 HB3 LEU A 79 63.849 2.553 10.064 1.00 0.00 H new ATOM 0 HG LEU A 79 63.064 0.496 8.183 1.00 0.00 H new ATOM 0 HD11 LEU A 79 65.251 -0.636 7.907 1.00 0.00 H new ATOM 0 HD12 LEU A 79 65.242 0.946 7.091 1.00 0.00 H new ATOM 0 HD13 LEU A 79 66.067 0.756 8.657 1.00 0.00 H new ATOM 0 HD21 LEU A 79 63.915 -0.973 9.994 1.00 0.00 H new ATOM 0 HD22 LEU A 79 64.728 0.422 10.743 1.00 0.00 H new ATOM 0 HD23 LEU A 79 62.951 0.367 10.660 1.00 0.00 H new ATOM 1165 N SER A 80 62.497 5.302 8.309 1.00 0.00 N ATOM 1166 CA SER A 80 62.118 6.631 8.864 1.00 0.00 C ATOM 1167 C SER A 80 60.660 6.936 8.518 1.00 0.00 C ATOM 1168 O SER A 80 59.961 7.595 9.261 1.00 0.00 O ATOM 1169 CB SER A 80 63.051 7.630 8.182 1.00 0.00 C ATOM 1170 OG SER A 80 64.188 7.849 9.006 1.00 0.00 O ATOM 0 H SER A 80 62.989 5.329 7.416 1.00 0.00 H new ATOM 0 HA SER A 80 62.210 6.671 9.949 1.00 0.00 H new ATOM 0 HB2 SER A 80 63.361 7.250 7.209 1.00 0.00 H new ATOM 0 HB3 SER A 80 62.529 8.570 8.005 1.00 0.00 H new ATOM 0 HG SER A 80 64.933 7.296 8.690 1.00 0.00 H new