USER MOD reduce.3.24.130724 H: found=0, std=0, add=569, rem=0, adj=11 USER MOD reduce.3.24.130724 removed 566 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 36 CYS SG : rot 127:sc= -8.9! USER MOD Set 1.2: A 43 THR OG1 : rot 72:sc= -2.93! USER MOD Set 1.3: A 61 MET CE :methyl 180:sc= -25.8! (180deg=-24.3!) USER MOD Set 2.1: A 34 THR OG1 : rot 8:sc= -9.12! USER MOD Set 2.2: A 53 SER OG : rot 85:sc= -0.0568 USER MOD Single : A 3 SER OG : rot 180:sc= 0 USER MOD Single : A 4 GLN : amide:sc= -7.42! C(o=-7.4!,f=-6.9!) USER MOD Single : A 6 HIS : no HD1:sc= -5.75! C(o=-5.7!,f=-3.6!) USER MOD Single : A 11 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 13 ASN : amide:sc= -2.38! C(o=-2.4!,f=-4.3!) USER MOD Single : A 14 MET CE :methyl -178:sc= -0.257 (180deg=-0.269) USER MOD Single : A 15 THR OG1 : rot 112:sc= 0.129 USER MOD Single : A 17 HIS : no HD1:sc= -7.21! C(o=-7.2!,f=-4.9!) USER MOD Single : A 19 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 28 HIS : no HE2:sc= -7.68! C(o=-7.7!,f=-8.1!) USER MOD Single : A 29 MET CE :methyl -151:sc= -0.197 (180deg=-1.27!) USER MOD Single : A 30 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 31 ASN : amide:sc= -0.324 K(o=-0.32,f=-2.9!) USER MOD Single : A 40 SER OG : rot 180:sc= 0 USER MOD Single : A 48 ASN : amide:sc= -0.632 K(o=-0.63,f=-3.6!) USER MOD Single : A 50 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 51 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 54 LYS NZ :NH3+ -169:sc= 0 (180deg=-0.0401) USER MOD Single : A 55 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 60 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 66 GLN : amide:sc= -6.89! C(o=-6.9!,f=-9.9!) USER MOD Single : A 67 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD ----------------------------------------------------------------- ATOM 1 N PRO A 1 -1.346 7.963 4.424 1.00 0.00 N ATOM 2 CA PRO A 1 -2.490 7.549 3.554 1.00 0.00 C ATOM 3 C PRO A 1 -2.948 6.139 3.935 1.00 0.00 C ATOM 4 O PRO A 1 -3.317 5.346 3.090 1.00 0.00 O ATOM 5 CB PRO A 1 -2.015 7.561 2.102 1.00 0.00 C ATOM 6 CG PRO A 1 -0.545 7.957 2.110 1.00 0.00 C ATOM 7 CD PRO A 1 -0.146 8.192 3.565 1.00 0.00 C ATOM 0 H2 PRO A 1 -1.151 7.241 5.118 1.00 0.00 H new ATOM 0 H3 PRO A 1 -1.581 8.813 4.936 1.00 0.00 H new ATOM 0 HA PRO A 1 -3.327 8.235 3.683 1.00 0.00 H new ATOM 0 HB2 PRO A 1 -2.146 6.579 1.647 1.00 0.00 H new ATOM 0 HB3 PRO A 1 -2.600 8.267 1.512 1.00 0.00 H new ATOM 0 HG2 PRO A 1 0.067 7.172 1.666 1.00 0.00 H new ATOM 0 HG3 PRO A 1 -0.387 8.858 1.518 1.00 0.00 H new ATOM 0 HD2 PRO A 1 0.660 7.517 3.851 1.00 0.00 H new ATOM 0 HD3 PRO A 1 0.227 9.208 3.697 1.00 0.00 H new ATOM 17 N ILE A 2 -2.936 5.820 5.201 1.00 0.00 N ATOM 18 CA ILE A 2 -3.377 4.465 5.632 1.00 0.00 C ATOM 19 C ILE A 2 -4.849 4.529 6.032 1.00 0.00 C ATOM 20 O ILE A 2 -5.680 3.823 5.499 1.00 0.00 O ATOM 21 CB ILE A 2 -2.542 4.008 6.828 1.00 0.00 C ATOM 22 CG1 ILE A 2 -1.064 4.312 6.566 1.00 0.00 C ATOM 23 CG2 ILE A 2 -2.723 2.502 7.032 1.00 0.00 C ATOM 24 CD1 ILE A 2 -0.681 3.826 5.166 1.00 0.00 C ATOM 0 H ILE A 2 -2.640 6.440 5.955 1.00 0.00 H new ATOM 0 HA ILE A 2 -3.245 3.757 4.814 1.00 0.00 H new ATOM 0 HB ILE A 2 -2.870 4.538 7.722 1.00 0.00 H new ATOM 0 HG12 ILE A 2 -0.882 5.383 6.653 1.00 0.00 H new ATOM 0 HG13 ILE A 2 -0.443 3.821 7.315 1.00 0.00 H new ATOM 0 HG21 ILE A 2 -2.128 2.176 7.885 1.00 0.00 H new ATOM 0 HG22 ILE A 2 -3.774 2.284 7.219 1.00 0.00 H new ATOM 0 HG23 ILE A 2 -2.396 1.972 6.138 1.00 0.00 H new ATOM 0 HD11 ILE A 2 0.371 4.043 4.981 1.00 0.00 H new ATOM 0 HD12 ILE A 2 -0.848 2.751 5.096 1.00 0.00 H new ATOM 0 HD13 ILE A 2 -1.293 4.337 4.423 1.00 0.00 H new ATOM 36 N SER A 3 -5.179 5.381 6.963 1.00 0.00 N ATOM 37 CA SER A 3 -6.598 5.496 7.387 1.00 0.00 C ATOM 38 C SER A 3 -7.456 5.842 6.170 1.00 0.00 C ATOM 39 O SER A 3 -8.588 5.415 6.057 1.00 0.00 O ATOM 40 CB SER A 3 -6.729 6.593 8.442 1.00 0.00 C ATOM 41 OG SER A 3 -8.083 7.022 8.510 1.00 0.00 O ATOM 0 H SER A 3 -4.528 6.000 7.446 1.00 0.00 H new ATOM 0 HA SER A 3 -6.934 4.551 7.813 1.00 0.00 H new ATOM 0 HB2 SER A 3 -6.405 6.220 9.413 1.00 0.00 H new ATOM 0 HB3 SER A 3 -6.082 7.433 8.191 1.00 0.00 H new ATOM 0 HG SER A 3 -8.170 7.725 9.187 1.00 0.00 H new ATOM 47 N GLN A 4 -6.926 6.604 5.249 1.00 0.00 N ATOM 48 CA GLN A 4 -7.720 6.957 4.041 1.00 0.00 C ATOM 49 C GLN A 4 -8.037 5.673 3.278 1.00 0.00 C ATOM 50 O GLN A 4 -9.174 5.411 2.929 1.00 0.00 O ATOM 51 CB GLN A 4 -6.927 7.920 3.151 1.00 0.00 C ATOM 52 CG GLN A 4 -5.740 7.192 2.519 1.00 0.00 C ATOM 53 CD GLN A 4 -4.906 8.190 1.714 1.00 0.00 C ATOM 54 OE1 GLN A 4 -4.502 7.907 0.604 1.00 0.00 O ATOM 55 NE2 GLN A 4 -4.629 9.356 2.231 1.00 0.00 N ATOM 0 H GLN A 4 -5.984 6.994 5.283 1.00 0.00 H new ATOM 0 HA GLN A 4 -8.646 7.451 4.336 1.00 0.00 H new ATOM 0 HB2 GLN A 4 -7.573 8.323 2.372 1.00 0.00 H new ATOM 0 HB3 GLN A 4 -6.573 8.765 3.741 1.00 0.00 H new ATOM 0 HG2 GLN A 4 -5.128 6.730 3.293 1.00 0.00 H new ATOM 0 HG3 GLN A 4 -6.094 6.390 1.871 1.00 0.00 H new ATOM 0 HE21 GLN A 4 -4.968 9.594 3.163 1.00 0.00 H new ATOM 0 HE22 GLN A 4 -4.074 10.029 1.703 1.00 0.00 H new ATOM 64 N VAL A 5 -7.053 4.845 3.039 1.00 0.00 N ATOM 65 CA VAL A 5 -7.345 3.574 2.333 1.00 0.00 C ATOM 66 C VAL A 5 -8.339 2.813 3.184 1.00 0.00 C ATOM 67 O VAL A 5 -9.478 2.658 2.823 1.00 0.00 O ATOM 68 CB VAL A 5 -6.084 2.717 2.181 1.00 0.00 C ATOM 69 CG1 VAL A 5 -6.457 1.394 1.530 1.00 0.00 C ATOM 70 CG2 VAL A 5 -5.031 3.417 1.322 1.00 0.00 C ATOM 0 H VAL A 5 -6.078 4.994 3.299 1.00 0.00 H new ATOM 0 HA VAL A 5 -7.730 3.791 1.337 1.00 0.00 H new ATOM 0 HB VAL A 5 -5.662 2.553 3.172 1.00 0.00 H new ATOM 0 HG11 VAL A 5 -5.564 0.779 1.419 1.00 0.00 H new ATOM 0 HG12 VAL A 5 -7.181 0.872 2.155 1.00 0.00 H new ATOM 0 HG13 VAL A 5 -6.893 1.581 0.549 1.00 0.00 H new ATOM 0 HG21 VAL A 5 -4.150 2.781 1.235 1.00 0.00 H new ATOM 0 HG22 VAL A 5 -5.439 3.608 0.330 1.00 0.00 H new ATOM 0 HG23 VAL A 5 -4.751 4.362 1.788 1.00 0.00 H new ATOM 80 N HIS A 6 -7.914 2.357 4.332 1.00 0.00 N ATOM 81 CA HIS A 6 -8.826 1.621 5.241 1.00 0.00 C ATOM 82 C HIS A 6 -10.232 2.204 5.134 1.00 0.00 C ATOM 83 O HIS A 6 -11.219 1.502 5.214 1.00 0.00 O ATOM 84 CB HIS A 6 -8.321 1.791 6.668 1.00 0.00 C ATOM 85 CG HIS A 6 -7.101 0.937 6.876 1.00 0.00 C ATOM 86 ND1 HIS A 6 -7.175 -0.439 7.017 1.00 0.00 N ATOM 87 CD2 HIS A 6 -5.768 1.252 6.960 1.00 0.00 C ATOM 88 CE1 HIS A 6 -5.920 -0.898 7.176 1.00 0.00 C ATOM 89 NE2 HIS A 6 -5.024 0.092 7.151 1.00 0.00 N ATOM 0 H HIS A 6 -6.961 2.467 4.679 1.00 0.00 H new ATOM 0 HA HIS A 6 -8.853 0.565 4.970 1.00 0.00 H new ATOM 0 HB2 HIS A 6 -8.082 2.837 6.858 1.00 0.00 H new ATOM 0 HB3 HIS A 6 -9.100 1.509 7.376 1.00 0.00 H new ATOM 0 HD2 HIS A 6 -5.359 2.249 6.889 1.00 0.00 H new ATOM 0 HE1 HIS A 6 -5.668 -1.940 7.308 1.00 0.00 H new ATOM 0 HE2 HIS A 6 -4.012 0.014 7.251 1.00 0.00 H new ATOM 97 N GLU A 7 -10.323 3.488 4.925 1.00 0.00 N ATOM 98 CA GLU A 7 -11.661 4.122 4.795 1.00 0.00 C ATOM 99 C GLU A 7 -12.323 3.637 3.506 1.00 0.00 C ATOM 100 O GLU A 7 -13.285 2.903 3.531 1.00 0.00 O ATOM 101 CB GLU A 7 -11.506 5.644 4.753 1.00 0.00 C ATOM 102 CG GLU A 7 -11.821 6.228 6.131 1.00 0.00 C ATOM 103 CD GLU A 7 -11.660 7.749 6.090 1.00 0.00 C ATOM 104 OE1 GLU A 7 -12.417 8.386 5.376 1.00 0.00 O ATOM 105 OE2 GLU A 7 -10.782 8.251 6.773 1.00 0.00 O ATOM 0 H GLU A 7 -9.530 4.123 4.839 1.00 0.00 H new ATOM 0 HA GLU A 7 -12.281 3.849 5.649 1.00 0.00 H new ATOM 0 HB2 GLU A 7 -10.491 5.909 4.458 1.00 0.00 H new ATOM 0 HB3 GLU A 7 -12.176 6.068 4.005 1.00 0.00 H new ATOM 0 HG2 GLU A 7 -12.838 5.967 6.424 1.00 0.00 H new ATOM 0 HG3 GLU A 7 -11.154 5.801 6.880 1.00 0.00 H new ATOM 112 N ILE A 8 -11.815 4.042 2.380 1.00 0.00 N ATOM 113 CA ILE A 8 -12.432 3.598 1.086 1.00 0.00 C ATOM 114 C ILE A 8 -12.428 2.060 1.016 1.00 0.00 C ATOM 115 O ILE A 8 -13.442 1.435 0.769 1.00 0.00 O ATOM 116 CB ILE A 8 -11.672 4.221 -0.126 1.00 0.00 C ATOM 117 CG1 ILE A 8 -11.371 3.164 -1.215 1.00 0.00 C ATOM 118 CG2 ILE A 8 -10.362 4.882 0.318 1.00 0.00 C ATOM 119 CD1 ILE A 8 -10.064 2.405 -0.914 1.00 0.00 C ATOM 0 H ILE A 8 -11.006 4.656 2.291 1.00 0.00 H new ATOM 0 HA ILE A 8 -13.464 3.946 1.040 1.00 0.00 H new ATOM 0 HB ILE A 8 -12.328 4.981 -0.549 1.00 0.00 H new ATOM 0 HG12 ILE A 8 -12.198 2.457 -1.277 1.00 0.00 H new ATOM 0 HG13 ILE A 8 -11.295 3.652 -2.187 1.00 0.00 H new ATOM 0 HG21 ILE A 8 -9.856 5.306 -0.549 1.00 0.00 H new ATOM 0 HG22 ILE A 8 -10.579 5.674 1.035 1.00 0.00 H new ATOM 0 HG23 ILE A 8 -9.718 4.136 0.784 1.00 0.00 H new ATOM 0 HD11 ILE A 8 -9.881 1.670 -1.698 1.00 0.00 H new ATOM 0 HD12 ILE A 8 -9.234 3.110 -0.877 1.00 0.00 H new ATOM 0 HD13 ILE A 8 -10.151 1.897 0.047 1.00 0.00 H new ATOM 131 N GLY A 9 -11.293 1.457 1.212 1.00 0.00 N ATOM 132 CA GLY A 9 -11.185 -0.020 1.142 1.00 0.00 C ATOM 133 C GLY A 9 -12.308 -0.683 1.933 1.00 0.00 C ATOM 134 O GLY A 9 -12.962 -1.578 1.446 1.00 0.00 O ATOM 0 H GLY A 9 -10.418 1.937 1.422 1.00 0.00 H new ATOM 0 HA2 GLY A 9 -11.227 -0.343 0.102 1.00 0.00 H new ATOM 0 HA3 GLY A 9 -10.220 -0.338 1.536 1.00 0.00 H new ATOM 138 N ILE A 10 -12.527 -0.281 3.152 1.00 0.00 N ATOM 139 CA ILE A 10 -13.610 -0.933 3.939 1.00 0.00 C ATOM 140 C ILE A 10 -14.970 -0.349 3.541 1.00 0.00 C ATOM 141 O ILE A 10 -15.821 -1.033 3.007 1.00 0.00 O ATOM 142 CB ILE A 10 -13.340 -0.729 5.440 1.00 0.00 C ATOM 143 CG1 ILE A 10 -12.760 -2.021 5.982 1.00 0.00 C ATOM 144 CG2 ILE A 10 -14.629 -0.397 6.205 1.00 0.00 C ATOM 145 CD1 ILE A 10 -13.767 -3.142 5.728 1.00 0.00 C ATOM 0 H ILE A 10 -12.013 0.458 3.632 1.00 0.00 H new ATOM 0 HA ILE A 10 -13.627 -2.002 3.728 1.00 0.00 H new ATOM 0 HB ILE A 10 -12.652 0.106 5.570 1.00 0.00 H new ATOM 0 HG12 ILE A 10 -11.811 -2.245 5.495 1.00 0.00 H new ATOM 0 HG13 ILE A 10 -12.556 -1.928 7.049 1.00 0.00 H new ATOM 0 HG21 ILE A 10 -14.400 -0.260 7.262 1.00 0.00 H new ATOM 0 HG22 ILE A 10 -15.063 0.520 5.806 1.00 0.00 H new ATOM 0 HG23 ILE A 10 -15.340 -1.215 6.091 1.00 0.00 H new ATOM 0 HD11 ILE A 10 -13.369 -4.082 6.111 1.00 0.00 H new ATOM 0 HD12 ILE A 10 -14.704 -2.911 6.235 1.00 0.00 H new ATOM 0 HD13 ILE A 10 -13.947 -3.234 4.657 1.00 0.00 H new ATOM 157 N LYS A 11 -15.180 0.905 3.815 1.00 0.00 N ATOM 158 CA LYS A 11 -16.482 1.546 3.479 1.00 0.00 C ATOM 159 C LYS A 11 -17.005 1.071 2.123 1.00 0.00 C ATOM 160 O LYS A 11 -18.191 1.112 1.864 1.00 0.00 O ATOM 161 CB LYS A 11 -16.307 3.066 3.452 1.00 0.00 C ATOM 162 CG LYS A 11 -17.259 3.710 4.461 1.00 0.00 C ATOM 163 CD LYS A 11 -16.550 4.863 5.172 1.00 0.00 C ATOM 164 CE LYS A 11 -17.333 6.158 4.951 1.00 0.00 C ATOM 165 NZ LYS A 11 -16.963 6.743 3.631 1.00 0.00 N ATOM 0 H LYS A 11 -14.500 1.521 4.261 1.00 0.00 H new ATOM 0 HA LYS A 11 -17.208 1.263 4.241 1.00 0.00 H new ATOM 0 HB2 LYS A 11 -15.276 3.328 3.691 1.00 0.00 H new ATOM 0 HB3 LYS A 11 -16.509 3.448 2.451 1.00 0.00 H new ATOM 0 HG2 LYS A 11 -18.151 4.077 3.952 1.00 0.00 H new ATOM 0 HG3 LYS A 11 -17.589 2.969 5.189 1.00 0.00 H new ATOM 0 HD2 LYS A 11 -16.469 4.652 6.238 1.00 0.00 H new ATOM 0 HD3 LYS A 11 -15.535 4.970 4.790 1.00 0.00 H new ATOM 0 HE2 LYS A 11 -18.404 5.958 4.985 1.00 0.00 H new ATOM 0 HE3 LYS A 11 -17.116 6.868 5.749 1.00 0.00 H new ATOM 0 HZ1 LYS A 11 -17.495 7.624 3.480 1.00 0.00 H new ATOM 0 HZ2 LYS A 11 -15.943 6.948 3.615 1.00 0.00 H new ATOM 0 HZ3 LYS A 11 -17.192 6.066 2.875 1.00 0.00 H new ATOM 179 N ARG A 12 -16.150 0.623 1.254 1.00 0.00 N ATOM 180 CA ARG A 12 -16.640 0.156 -0.072 1.00 0.00 C ATOM 181 C ARG A 12 -16.619 -1.369 -0.108 1.00 0.00 C ATOM 182 O ARG A 12 -17.589 -2.004 -0.468 1.00 0.00 O ATOM 183 CB ARG A 12 -15.733 0.706 -1.174 1.00 0.00 C ATOM 184 CG ARG A 12 -16.590 1.215 -2.335 1.00 0.00 C ATOM 185 CD ARG A 12 -16.403 0.300 -3.548 1.00 0.00 C ATOM 186 NE ARG A 12 -15.296 0.813 -4.408 1.00 0.00 N ATOM 187 CZ ARG A 12 -15.141 2.097 -4.586 1.00 0.00 C ATOM 188 NH1 ARG A 12 -16.183 2.858 -4.785 1.00 0.00 N ATOM 189 NH2 ARG A 12 -13.947 2.620 -4.567 1.00 0.00 N ATOM 0 H ARG A 12 -15.142 0.559 1.399 1.00 0.00 H new ATOM 0 HA ARG A 12 -17.658 0.511 -0.231 1.00 0.00 H new ATOM 0 HB2 ARG A 12 -15.116 1.515 -0.782 1.00 0.00 H new ATOM 0 HB3 ARG A 12 -15.054 -0.072 -1.523 1.00 0.00 H new ATOM 0 HG2 ARG A 12 -17.640 1.239 -2.043 1.00 0.00 H new ATOM 0 HG3 ARG A 12 -16.307 2.236 -2.590 1.00 0.00 H new ATOM 0 HD2 ARG A 12 -16.178 -0.714 -3.218 1.00 0.00 H new ATOM 0 HD3 ARG A 12 -17.328 0.250 -4.123 1.00 0.00 H new ATOM 0 HE ARG A 12 -14.658 0.157 -4.859 1.00 0.00 H new ATOM 0 HH11 ARG A 12 -17.117 2.449 -4.801 1.00 0.00 H new ATOM 0 HH12 ARG A 12 -16.063 3.861 -4.924 1.00 0.00 H new ATOM 0 HH21 ARG A 12 -13.132 2.026 -4.413 1.00 0.00 H new ATOM 0 HH22 ARG A 12 -13.827 3.623 -4.706 1.00 0.00 H new ATOM 203 N ASN A 13 -15.508 -1.942 0.272 1.00 0.00 N ATOM 204 CA ASN A 13 -15.355 -3.431 0.282 1.00 0.00 C ATOM 205 C ASN A 13 -13.886 -3.787 0.036 1.00 0.00 C ATOM 206 O ASN A 13 -13.390 -4.792 0.505 1.00 0.00 O ATOM 207 CB ASN A 13 -16.196 -4.049 -0.834 1.00 0.00 C ATOM 208 CG ASN A 13 -17.516 -4.564 -0.257 1.00 0.00 C ATOM 209 OD1 ASN A 13 -17.939 -4.138 0.800 1.00 0.00 O ATOM 210 ND2 ASN A 13 -18.191 -5.470 -0.911 1.00 0.00 N ATOM 0 H ASN A 13 -14.681 -1.431 0.583 1.00 0.00 H new ATOM 0 HA ASN A 13 -15.685 -3.816 1.247 1.00 0.00 H new ATOM 0 HB2 ASN A 13 -16.391 -3.308 -1.609 1.00 0.00 H new ATOM 0 HB3 ASN A 13 -15.650 -4.866 -1.305 1.00 0.00 H new ATOM 0 HD21 ASN A 13 -19.072 -5.820 -0.535 1.00 0.00 H new ATOM 0 HD22 ASN A 13 -17.837 -5.828 -1.798 1.00 0.00 H new ATOM 217 N MET A 14 -13.193 -2.969 -0.709 1.00 0.00 N ATOM 218 CA MET A 14 -11.759 -3.247 -1.010 1.00 0.00 C ATOM 219 C MET A 14 -10.967 -3.403 0.292 1.00 0.00 C ATOM 220 O MET A 14 -10.552 -2.438 0.892 1.00 0.00 O ATOM 221 CB MET A 14 -11.189 -2.074 -1.816 1.00 0.00 C ATOM 222 CG MET A 14 -11.516 -2.255 -3.301 1.00 0.00 C ATOM 223 SD MET A 14 -10.816 -3.812 -3.901 1.00 0.00 S ATOM 224 CE MET A 14 -10.656 -3.336 -5.639 1.00 0.00 C ATOM 0 H MET A 14 -13.561 -2.114 -1.125 1.00 0.00 H new ATOM 0 HA MET A 14 -11.680 -4.171 -1.582 1.00 0.00 H new ATOM 0 HB2 MET A 14 -11.608 -1.135 -1.454 1.00 0.00 H new ATOM 0 HB3 MET A 14 -10.109 -2.016 -1.677 1.00 0.00 H new ATOM 0 HG2 MET A 14 -12.596 -2.252 -3.447 1.00 0.00 H new ATOM 0 HG3 MET A 14 -11.114 -1.420 -3.875 1.00 0.00 H new ATOM 0 HE1 MET A 14 -10.268 -4.178 -6.213 1.00 0.00 H new ATOM 0 HE2 MET A 14 -11.633 -3.050 -6.029 1.00 0.00 H new ATOM 0 HE3 MET A 14 -9.971 -2.493 -5.724 1.00 0.00 H new ATOM 234 N THR A 15 -10.745 -4.609 0.735 1.00 0.00 N ATOM 235 CA THR A 15 -9.975 -4.790 1.999 1.00 0.00 C ATOM 236 C THR A 15 -8.729 -3.901 1.966 1.00 0.00 C ATOM 237 O THR A 15 -8.276 -3.489 0.917 1.00 0.00 O ATOM 238 CB THR A 15 -9.567 -6.260 2.163 1.00 0.00 C ATOM 239 OG1 THR A 15 -10.002 -7.002 1.032 1.00 0.00 O ATOM 240 CG2 THR A 15 -10.225 -6.816 3.426 1.00 0.00 C ATOM 0 H THR A 15 -11.059 -5.468 0.284 1.00 0.00 H new ATOM 0 HA THR A 15 -10.600 -4.506 2.845 1.00 0.00 H new ATOM 0 HB THR A 15 -8.483 -6.338 2.246 1.00 0.00 H new ATOM 0 HG1 THR A 15 -9.224 -7.295 0.514 1.00 0.00 H new ATOM 0 HG21 THR A 15 -9.942 -7.861 3.554 1.00 0.00 H new ATOM 0 HG22 THR A 15 -9.894 -6.242 4.292 1.00 0.00 H new ATOM 0 HG23 THR A 15 -11.309 -6.742 3.335 1.00 0.00 H new ATOM 248 N VAL A 16 -8.183 -3.595 3.109 1.00 0.00 N ATOM 249 CA VAL A 16 -6.971 -2.727 3.160 1.00 0.00 C ATOM 250 C VAL A 16 -5.923 -3.399 4.042 1.00 0.00 C ATOM 251 O VAL A 16 -5.806 -3.091 5.211 1.00 0.00 O ATOM 252 CB VAL A 16 -7.343 -1.373 3.774 1.00 0.00 C ATOM 253 CG1 VAL A 16 -6.100 -0.478 3.867 1.00 0.00 C ATOM 254 CG2 VAL A 16 -8.394 -0.694 2.897 1.00 0.00 C ATOM 0 H VAL A 16 -8.525 -3.910 4.017 1.00 0.00 H new ATOM 0 HA VAL A 16 -6.579 -2.579 2.154 1.00 0.00 H new ATOM 0 HB VAL A 16 -7.743 -1.531 4.776 1.00 0.00 H new ATOM 0 HG11 VAL A 16 -6.375 0.482 4.305 1.00 0.00 H new ATOM 0 HG12 VAL A 16 -5.350 -0.961 4.493 1.00 0.00 H new ATOM 0 HG13 VAL A 16 -5.691 -0.318 2.869 1.00 0.00 H new ATOM 0 HG21 VAL A 16 -8.662 0.270 3.330 1.00 0.00 H new ATOM 0 HG22 VAL A 16 -7.990 -0.542 1.896 1.00 0.00 H new ATOM 0 HG23 VAL A 16 -9.281 -1.324 2.838 1.00 0.00 H new ATOM 264 N HIS A 17 -5.167 -4.326 3.516 1.00 0.00 N ATOM 265 CA HIS A 17 -4.155 -4.992 4.397 1.00 0.00 C ATOM 266 C HIS A 17 -2.728 -4.587 4.004 1.00 0.00 C ATOM 267 O HIS A 17 -2.077 -5.229 3.206 1.00 0.00 O ATOM 268 CB HIS A 17 -4.311 -6.514 4.324 1.00 0.00 C ATOM 269 CG HIS A 17 -5.646 -6.900 4.912 1.00 0.00 C ATOM 270 ND1 HIS A 17 -6.189 -6.234 6.000 1.00 0.00 N ATOM 271 CD2 HIS A 17 -6.560 -7.872 4.577 1.00 0.00 C ATOM 272 CE1 HIS A 17 -7.375 -6.805 6.278 1.00 0.00 C ATOM 273 NE2 HIS A 17 -7.649 -7.809 5.441 1.00 0.00 N ATOM 0 H HIS A 17 -5.200 -4.645 2.548 1.00 0.00 H new ATOM 0 HA HIS A 17 -4.330 -4.664 5.422 1.00 0.00 H new ATOM 0 HB2 HIS A 17 -4.244 -6.850 3.289 1.00 0.00 H new ATOM 0 HB3 HIS A 17 -3.504 -7.002 4.870 1.00 0.00 H new ATOM 0 HD2 HIS A 17 -6.449 -8.577 3.766 1.00 0.00 H new ATOM 0 HE1 HIS A 17 -8.026 -6.490 7.080 1.00 0.00 H new ATOM 0 HE2 HIS A 17 -8.479 -8.402 5.436 1.00 0.00 H new ATOM 281 N PHE A 18 -2.239 -3.523 4.581 1.00 0.00 N ATOM 282 CA PHE A 18 -0.864 -3.051 4.269 1.00 0.00 C ATOM 283 C PHE A 18 0.170 -3.937 4.961 1.00 0.00 C ATOM 284 O PHE A 18 0.201 -4.050 6.170 1.00 0.00 O ATOM 285 CB PHE A 18 -0.702 -1.628 4.806 1.00 0.00 C ATOM 286 CG PHE A 18 -1.418 -0.669 3.902 1.00 0.00 C ATOM 287 CD1 PHE A 18 -0.856 -0.340 2.672 1.00 0.00 C ATOM 288 CD2 PHE A 18 -2.642 -0.110 4.290 1.00 0.00 C ATOM 289 CE1 PHE A 18 -1.509 0.545 1.821 1.00 0.00 C ATOM 290 CE2 PHE A 18 -3.302 0.779 3.436 1.00 0.00 C ATOM 291 CZ PHE A 18 -2.736 1.108 2.200 1.00 0.00 C ATOM 0 H PHE A 18 -2.742 -2.955 5.263 1.00 0.00 H new ATOM 0 HA PHE A 18 -0.713 -3.086 3.190 1.00 0.00 H new ATOM 0 HB2 PHE A 18 -1.104 -1.561 5.817 1.00 0.00 H new ATOM 0 HB3 PHE A 18 0.355 -1.368 4.866 1.00 0.00 H new ATOM 0 HD1 PHE A 18 0.089 -0.773 2.378 1.00 0.00 H new ATOM 0 HD2 PHE A 18 -3.075 -0.365 5.246 1.00 0.00 H new ATOM 0 HE1 PHE A 18 -1.071 0.799 0.867 1.00 0.00 H new ATOM 0 HE2 PHE A 18 -4.247 1.211 3.730 1.00 0.00 H new ATOM 0 HZ PHE A 18 -3.243 1.795 1.539 1.00 0.00 H new ATOM 301 N LYS A 19 1.032 -4.549 4.198 1.00 0.00 N ATOM 302 CA LYS A 19 2.085 -5.411 4.793 1.00 0.00 C ATOM 303 C LYS A 19 3.339 -5.283 3.936 1.00 0.00 C ATOM 304 O LYS A 19 3.338 -5.634 2.778 1.00 0.00 O ATOM 305 CB LYS A 19 1.620 -6.869 4.806 1.00 0.00 C ATOM 306 CG LYS A 19 2.810 -7.778 5.121 1.00 0.00 C ATOM 307 CD LYS A 19 2.371 -9.242 5.053 1.00 0.00 C ATOM 308 CE LYS A 19 3.560 -10.112 4.641 1.00 0.00 C ATOM 309 NZ LYS A 19 4.489 -10.266 5.796 1.00 0.00 N ATOM 0 H LYS A 19 1.050 -4.487 3.180 1.00 0.00 H new ATOM 0 HA LYS A 19 2.289 -5.101 5.818 1.00 0.00 H new ATOM 0 HB2 LYS A 19 0.836 -7.006 5.551 1.00 0.00 H new ATOM 0 HB3 LYS A 19 1.191 -7.134 3.840 1.00 0.00 H new ATOM 0 HG2 LYS A 19 3.617 -7.597 4.411 1.00 0.00 H new ATOM 0 HG3 LYS A 19 3.201 -7.551 6.113 1.00 0.00 H new ATOM 0 HD2 LYS A 19 1.990 -9.564 6.022 1.00 0.00 H new ATOM 0 HD3 LYS A 19 1.558 -9.356 4.336 1.00 0.00 H new ATOM 0 HE2 LYS A 19 3.211 -11.090 4.309 1.00 0.00 H new ATOM 0 HE3 LYS A 19 4.082 -9.657 3.799 1.00 0.00 H new ATOM 0 HZ1 LYS A 19 5.297 -10.858 5.515 1.00 0.00 H new ATOM 0 HZ2 LYS A 19 4.832 -9.330 6.093 1.00 0.00 H new ATOM 0 HZ3 LYS A 19 3.987 -10.718 6.587 1.00 0.00 H new ATOM 323 N VAL A 20 4.408 -4.776 4.482 1.00 0.00 N ATOM 324 CA VAL A 20 5.641 -4.624 3.664 1.00 0.00 C ATOM 325 C VAL A 20 6.330 -5.978 3.546 1.00 0.00 C ATOM 326 O VAL A 20 6.796 -6.544 4.514 1.00 0.00 O ATOM 327 CB VAL A 20 6.566 -3.599 4.316 1.00 0.00 C ATOM 328 CG1 VAL A 20 7.798 -3.386 3.433 1.00 0.00 C ATOM 329 CG2 VAL A 20 5.811 -2.274 4.463 1.00 0.00 C ATOM 0 H VAL A 20 4.481 -4.463 5.450 1.00 0.00 H new ATOM 0 HA VAL A 20 5.387 -4.269 2.665 1.00 0.00 H new ATOM 0 HB VAL A 20 6.883 -3.958 5.295 1.00 0.00 H new ATOM 0 HG11 VAL A 20 8.458 -2.654 3.899 1.00 0.00 H new ATOM 0 HG12 VAL A 20 8.329 -4.331 3.316 1.00 0.00 H new ATOM 0 HG13 VAL A 20 7.486 -3.021 2.454 1.00 0.00 H new ATOM 0 HG21 VAL A 20 6.462 -1.534 4.928 1.00 0.00 H new ATOM 0 HG22 VAL A 20 5.503 -1.920 3.479 1.00 0.00 H new ATOM 0 HG23 VAL A 20 4.930 -2.425 5.087 1.00 0.00 H new ATOM 339 N LEU A 21 6.364 -6.512 2.356 1.00 0.00 N ATOM 340 CA LEU A 21 6.982 -7.846 2.154 1.00 0.00 C ATOM 341 C LEU A 21 8.279 -7.729 1.352 1.00 0.00 C ATOM 342 O LEU A 21 8.774 -8.705 0.821 1.00 0.00 O ATOM 343 CB LEU A 21 5.997 -8.730 1.395 1.00 0.00 C ATOM 344 CG LEU A 21 5.332 -7.923 0.289 1.00 0.00 C ATOM 345 CD1 LEU A 21 5.010 -8.835 -0.896 1.00 0.00 C ATOM 346 CD2 LEU A 21 4.049 -7.337 0.852 1.00 0.00 C ATOM 0 H LEU A 21 5.988 -6.077 1.513 1.00 0.00 H new ATOM 0 HA LEU A 21 7.217 -8.280 3.126 1.00 0.00 H new ATOM 0 HB2 LEU A 21 6.517 -9.589 0.970 1.00 0.00 H new ATOM 0 HB3 LEU A 21 5.242 -9.120 2.078 1.00 0.00 H new ATOM 0 HG LEU A 21 5.995 -7.130 -0.057 1.00 0.00 H new ATOM 0 HD11 LEU A 21 4.534 -8.252 -1.685 1.00 0.00 H new ATOM 0 HD12 LEU A 21 5.931 -9.276 -1.276 1.00 0.00 H new ATOM 0 HD13 LEU A 21 4.335 -9.627 -0.572 1.00 0.00 H new ATOM 0 HD21 LEU A 21 3.548 -6.751 0.081 1.00 0.00 H new ATOM 0 HD22 LEU A 21 3.393 -8.144 1.179 1.00 0.00 H new ATOM 0 HD23 LEU A 21 4.284 -6.694 1.701 1.00 0.00 H new ATOM 358 N ARG A 22 8.840 -6.556 1.248 1.00 0.00 N ATOM 359 CA ARG A 22 10.103 -6.419 0.466 1.00 0.00 C ATOM 360 C ARG A 22 10.988 -5.326 1.069 1.00 0.00 C ATOM 361 O ARG A 22 10.519 -4.424 1.734 1.00 0.00 O ATOM 362 CB ARG A 22 9.770 -6.062 -0.982 1.00 0.00 C ATOM 363 CG ARG A 22 9.200 -7.290 -1.694 1.00 0.00 C ATOM 364 CD ARG A 22 9.706 -7.324 -3.137 1.00 0.00 C ATOM 365 NE ARG A 22 10.122 -8.710 -3.488 1.00 0.00 N ATOM 366 CZ ARG A 22 10.305 -9.039 -4.738 1.00 0.00 C ATOM 367 NH1 ARG A 22 11.399 -8.684 -5.352 1.00 0.00 N ATOM 368 NH2 ARG A 22 9.392 -9.721 -5.374 1.00 0.00 N ATOM 0 H ARG A 22 8.485 -5.695 1.665 1.00 0.00 H new ATOM 0 HA ARG A 22 10.641 -7.366 0.498 1.00 0.00 H new ATOM 0 HB2 ARG A 22 9.048 -5.245 -1.009 1.00 0.00 H new ATOM 0 HB3 ARG A 22 10.665 -5.713 -1.497 1.00 0.00 H new ATOM 0 HG2 ARG A 22 9.499 -8.198 -1.171 1.00 0.00 H new ATOM 0 HG3 ARG A 22 8.111 -7.259 -1.680 1.00 0.00 H new ATOM 0 HD2 ARG A 22 8.923 -6.986 -3.816 1.00 0.00 H new ATOM 0 HD3 ARG A 22 10.547 -6.640 -3.254 1.00 0.00 H new ATOM 0 HE ARG A 22 10.264 -9.402 -2.752 1.00 0.00 H new ATOM 0 HH11 ARG A 22 12.112 -8.149 -4.856 1.00 0.00 H new ATOM 0 HH12 ARG A 22 11.542 -8.941 -6.329 1.00 0.00 H new ATOM 0 HH21 ARG A 22 8.535 -9.997 -4.894 1.00 0.00 H new ATOM 0 HH22 ARG A 22 9.535 -9.978 -6.351 1.00 0.00 H new ATOM 382 N GLU A 23 12.271 -5.406 0.833 1.00 0.00 N ATOM 383 CA GLU A 23 13.208 -4.384 1.382 1.00 0.00 C ATOM 384 C GLU A 23 14.472 -4.351 0.515 1.00 0.00 C ATOM 385 O GLU A 23 15.174 -5.336 0.393 1.00 0.00 O ATOM 386 CB GLU A 23 13.584 -4.754 2.818 1.00 0.00 C ATOM 387 CG GLU A 23 12.376 -5.384 3.517 1.00 0.00 C ATOM 388 CD GLU A 23 12.783 -5.851 4.917 1.00 0.00 C ATOM 389 OE1 GLU A 23 13.969 -6.025 5.140 1.00 0.00 O ATOM 390 OE2 GLU A 23 11.900 -6.030 5.740 1.00 0.00 O ATOM 0 H GLU A 23 12.712 -6.141 0.280 1.00 0.00 H new ATOM 0 HA GLU A 23 12.730 -3.404 1.377 1.00 0.00 H new ATOM 0 HB2 GLU A 23 14.422 -5.451 2.817 1.00 0.00 H new ATOM 0 HB3 GLU A 23 13.909 -3.866 3.360 1.00 0.00 H new ATOM 0 HG2 GLU A 23 11.564 -4.660 3.585 1.00 0.00 H new ATOM 0 HG3 GLU A 23 12.004 -6.227 2.935 1.00 0.00 H new ATOM 397 N GLU A 24 14.768 -3.232 -0.092 1.00 0.00 N ATOM 398 CA GLU A 24 15.984 -3.154 -0.953 1.00 0.00 C ATOM 399 C GLU A 24 16.685 -1.808 -0.752 1.00 0.00 C ATOM 400 O GLU A 24 16.174 -0.920 -0.100 1.00 0.00 O ATOM 401 CB GLU A 24 15.578 -3.291 -2.422 1.00 0.00 C ATOM 402 CG GLU A 24 14.720 -2.092 -2.829 1.00 0.00 C ATOM 403 CD GLU A 24 13.847 -2.472 -4.027 1.00 0.00 C ATOM 404 OE1 GLU A 24 12.997 -3.332 -3.867 1.00 0.00 O ATOM 405 OE2 GLU A 24 14.044 -1.895 -5.084 1.00 0.00 O ATOM 0 H GLU A 24 14.223 -2.372 -0.029 1.00 0.00 H new ATOM 0 HA GLU A 24 16.664 -3.960 -0.678 1.00 0.00 H new ATOM 0 HB2 GLU A 24 16.466 -3.347 -3.052 1.00 0.00 H new ATOM 0 HB3 GLU A 24 15.022 -4.217 -2.572 1.00 0.00 H new ATOM 0 HG2 GLU A 24 14.093 -1.779 -1.994 1.00 0.00 H new ATOM 0 HG3 GLU A 24 15.357 -1.245 -3.084 1.00 0.00 H new ATOM 412 N GLY A 25 17.852 -1.652 -1.319 1.00 0.00 N ATOM 413 CA GLY A 25 18.589 -0.365 -1.174 1.00 0.00 C ATOM 414 C GLY A 25 19.965 -0.619 -0.551 1.00 0.00 C ATOM 415 O GLY A 25 20.112 -1.488 0.285 1.00 0.00 O ATOM 0 H GLY A 25 18.326 -2.362 -1.877 1.00 0.00 H new ATOM 0 HA2 GLY A 25 18.703 0.110 -2.148 1.00 0.00 H new ATOM 0 HA3 GLY A 25 18.019 0.322 -0.549 1.00 0.00 H new ATOM 419 N PRO A 26 20.933 0.157 -0.975 1.00 0.00 N ATOM 420 CA PRO A 26 22.311 0.041 -0.466 1.00 0.00 C ATOM 421 C PRO A 26 22.345 0.331 1.036 1.00 0.00 C ATOM 422 O PRO A 26 22.575 -0.546 1.845 1.00 0.00 O ATOM 423 CB PRO A 26 23.107 1.102 -1.238 1.00 0.00 C ATOM 424 CG PRO A 26 22.120 1.838 -2.180 1.00 0.00 C ATOM 425 CD PRO A 26 20.734 1.205 -1.992 1.00 0.00 C ATOM 0 HA PRO A 26 22.722 -0.959 -0.605 1.00 0.00 H new ATOM 0 HB2 PRO A 26 23.575 1.805 -0.549 1.00 0.00 H new ATOM 0 HB3 PRO A 26 23.908 0.637 -1.812 1.00 0.00 H new ATOM 0 HG2 PRO A 26 22.089 2.902 -1.946 1.00 0.00 H new ATOM 0 HG3 PRO A 26 22.443 1.749 -3.217 1.00 0.00 H new ATOM 0 HD2 PRO A 26 20.004 1.943 -1.661 1.00 0.00 H new ATOM 0 HD3 PRO A 26 20.361 0.784 -2.926 1.00 0.00 H new ATOM 433 N ALA A 27 22.122 1.558 1.411 1.00 0.00 N ATOM 434 CA ALA A 27 22.141 1.913 2.859 1.00 0.00 C ATOM 435 C ALA A 27 21.620 3.341 3.049 1.00 0.00 C ATOM 436 O ALA A 27 22.056 4.056 3.929 1.00 0.00 O ATOM 437 CB ALA A 27 23.576 1.821 3.384 1.00 0.00 C ATOM 0 H ALA A 27 21.927 2.333 0.777 1.00 0.00 H new ATOM 0 HA ALA A 27 21.503 1.221 3.409 1.00 0.00 H new ATOM 0 HB1 ALA A 27 23.593 2.080 4.443 1.00 0.00 H new ATOM 0 HB2 ALA A 27 23.947 0.804 3.253 1.00 0.00 H new ATOM 0 HB3 ALA A 27 24.211 2.513 2.831 1.00 0.00 H new ATOM 443 N HIS A 28 20.689 3.761 2.235 1.00 0.00 N ATOM 444 CA HIS A 28 20.143 5.143 2.378 1.00 0.00 C ATOM 445 C HIS A 28 18.775 5.225 1.699 1.00 0.00 C ATOM 446 O HIS A 28 17.755 5.340 2.349 1.00 0.00 O ATOM 447 CB HIS A 28 21.094 6.165 1.733 1.00 0.00 C ATOM 448 CG HIS A 28 22.117 5.466 0.875 1.00 0.00 C ATOM 449 ND1 HIS A 28 23.462 5.793 0.917 1.00 0.00 N ATOM 450 CD2 HIS A 28 22.004 4.459 -0.051 1.00 0.00 C ATOM 451 CE1 HIS A 28 24.101 4.996 0.041 1.00 0.00 C ATOM 452 NE2 HIS A 28 23.259 4.164 -0.577 1.00 0.00 N ATOM 0 H HIS A 28 20.283 3.209 1.479 1.00 0.00 H new ATOM 0 HA HIS A 28 20.044 5.373 3.439 1.00 0.00 H new ATOM 0 HB2 HIS A 28 20.524 6.870 1.128 1.00 0.00 H new ATOM 0 HB3 HIS A 28 21.596 6.744 2.509 1.00 0.00 H new ATOM 0 HD1 HIS A 28 23.890 6.508 1.505 1.00 0.00 H new ATOM 0 HD2 HIS A 28 21.082 3.970 -0.329 1.00 0.00 H new ATOM 0 HE1 HIS A 28 25.165 5.026 -0.140 1.00 0.00 H new ATOM 460 N MET A 29 18.742 5.167 0.395 1.00 0.00 N ATOM 461 CA MET A 29 17.437 5.240 -0.320 1.00 0.00 C ATOM 462 C MET A 29 16.836 3.838 -0.414 1.00 0.00 C ATOM 463 O MET A 29 16.577 3.331 -1.487 1.00 0.00 O ATOM 464 CB MET A 29 17.655 5.796 -1.730 1.00 0.00 C ATOM 465 CG MET A 29 17.674 7.325 -1.677 1.00 0.00 C ATOM 466 SD MET A 29 17.868 7.983 -3.353 1.00 0.00 S ATOM 467 CE MET A 29 19.538 7.352 -3.651 1.00 0.00 C ATOM 0 H MET A 29 19.562 5.072 -0.205 1.00 0.00 H new ATOM 0 HA MET A 29 16.758 5.895 0.226 1.00 0.00 H new ATOM 0 HB2 MET A 29 18.595 5.424 -2.138 1.00 0.00 H new ATOM 0 HB3 MET A 29 16.861 5.454 -2.394 1.00 0.00 H new ATOM 0 HG2 MET A 29 16.750 7.696 -1.234 1.00 0.00 H new ATOM 0 HG3 MET A 29 18.492 7.668 -1.043 1.00 0.00 H new ATOM 0 HE1 MET A 29 20.059 8.013 -4.343 1.00 0.00 H new ATOM 0 HE2 MET A 29 20.085 7.310 -2.709 1.00 0.00 H new ATOM 0 HE3 MET A 29 19.478 6.352 -4.080 1.00 0.00 H new ATOM 477 N LYS A 30 16.620 3.204 0.705 1.00 0.00 N ATOM 478 CA LYS A 30 16.045 1.835 0.691 1.00 0.00 C ATOM 479 C LYS A 30 14.552 1.897 0.366 1.00 0.00 C ATOM 480 O LYS A 30 13.763 2.426 1.123 1.00 0.00 O ATOM 481 CB LYS A 30 16.242 1.196 2.067 1.00 0.00 C ATOM 482 CG LYS A 30 17.708 0.792 2.242 1.00 0.00 C ATOM 483 CD LYS A 30 17.829 -0.203 3.398 1.00 0.00 C ATOM 484 CE LYS A 30 19.221 -0.093 4.022 1.00 0.00 C ATOM 485 NZ LYS A 30 19.426 -1.215 4.982 1.00 0.00 N ATOM 0 H LYS A 30 16.819 3.580 1.632 1.00 0.00 H new ATOM 0 HA LYS A 30 16.548 1.239 -0.070 1.00 0.00 H new ATOM 0 HB2 LYS A 30 15.952 1.897 2.849 1.00 0.00 H new ATOM 0 HB3 LYS A 30 15.599 0.322 2.168 1.00 0.00 H new ATOM 0 HG2 LYS A 30 18.085 0.345 1.322 1.00 0.00 H new ATOM 0 HG3 LYS A 30 18.318 1.673 2.441 1.00 0.00 H new ATOM 0 HD2 LYS A 30 17.065 0.001 4.149 1.00 0.00 H new ATOM 0 HD3 LYS A 30 17.659 -1.218 3.038 1.00 0.00 H new ATOM 0 HE2 LYS A 30 19.983 -0.123 3.244 1.00 0.00 H new ATOM 0 HE3 LYS A 30 19.326 0.863 4.535 1.00 0.00 H new ATOM 0 HZ1 LYS A 30 20.373 -1.140 5.406 1.00 0.00 H new ATOM 0 HZ2 LYS A 30 18.706 -1.167 5.731 1.00 0.00 H new ATOM 0 HZ3 LYS A 30 19.343 -2.122 4.479 1.00 0.00 H new ATOM 499 N ASN A 31 14.154 1.344 -0.747 1.00 0.00 N ATOM 500 CA ASN A 31 12.710 1.361 -1.103 1.00 0.00 C ATOM 501 C ASN A 31 12.081 0.052 -0.637 1.00 0.00 C ATOM 502 O ASN A 31 12.700 -0.992 -0.674 1.00 0.00 O ATOM 503 CB ASN A 31 12.541 1.498 -2.618 1.00 0.00 C ATOM 504 CG ASN A 31 13.277 2.748 -3.104 1.00 0.00 C ATOM 505 OD1 ASN A 31 13.677 3.580 -2.313 1.00 0.00 O ATOM 506 ND2 ASN A 31 13.476 2.917 -4.384 1.00 0.00 N ATOM 0 H ASN A 31 14.765 0.883 -1.422 1.00 0.00 H new ATOM 0 HA ASN A 31 12.223 2.208 -0.620 1.00 0.00 H new ATOM 0 HB2 ASN A 31 12.934 0.614 -3.120 1.00 0.00 H new ATOM 0 HB3 ASN A 31 11.483 1.565 -2.872 1.00 0.00 H new ATOM 0 HD21 ASN A 31 13.967 3.746 -4.719 1.00 0.00 H new ATOM 0 HD22 ASN A 31 13.141 2.220 -5.049 1.00 0.00 H new ATOM 513 N PHE A 32 10.861 0.094 -0.190 1.00 0.00 N ATOM 514 CA PHE A 32 10.210 -1.155 0.283 1.00 0.00 C ATOM 515 C PHE A 32 8.942 -1.411 -0.526 1.00 0.00 C ATOM 516 O PHE A 32 8.179 -0.504 -0.810 1.00 0.00 O ATOM 517 CB PHE A 32 9.844 -1.005 1.760 1.00 0.00 C ATOM 518 CG PHE A 32 11.087 -1.128 2.605 1.00 0.00 C ATOM 519 CD1 PHE A 32 12.096 -0.160 2.513 1.00 0.00 C ATOM 520 CD2 PHE A 32 11.229 -2.208 3.482 1.00 0.00 C ATOM 521 CE1 PHE A 32 13.249 -0.277 3.301 1.00 0.00 C ATOM 522 CE2 PHE A 32 12.380 -2.324 4.270 1.00 0.00 C ATOM 523 CZ PHE A 32 13.390 -1.359 4.179 1.00 0.00 C ATOM 0 H PHE A 32 10.288 0.936 -0.131 1.00 0.00 H new ATOM 0 HA PHE A 32 10.896 -1.992 0.156 1.00 0.00 H new ATOM 0 HB2 PHE A 32 9.370 -0.038 1.931 1.00 0.00 H new ATOM 0 HB3 PHE A 32 9.121 -1.769 2.045 1.00 0.00 H new ATOM 0 HD1 PHE A 32 11.985 0.674 1.836 1.00 0.00 H new ATOM 0 HD2 PHE A 32 10.450 -2.953 3.551 1.00 0.00 H new ATOM 0 HE1 PHE A 32 14.029 0.467 3.231 1.00 0.00 H new ATOM 0 HE2 PHE A 32 12.489 -3.158 4.948 1.00 0.00 H new ATOM 0 HZ PHE A 32 14.279 -1.449 4.786 1.00 0.00 H new ATOM 533 N ILE A 33 8.693 -2.643 -0.883 1.00 0.00 N ATOM 534 CA ILE A 33 7.458 -2.946 -1.647 1.00 0.00 C ATOM 535 C ILE A 33 6.353 -3.241 -0.646 1.00 0.00 C ATOM 536 O ILE A 33 6.234 -4.341 -0.143 1.00 0.00 O ATOM 537 CB ILE A 33 7.654 -4.171 -2.537 1.00 0.00 C ATOM 538 CG1 ILE A 33 9.080 -4.187 -3.094 1.00 0.00 C ATOM 539 CG2 ILE A 33 6.648 -4.124 -3.685 1.00 0.00 C ATOM 540 CD1 ILE A 33 9.280 -2.998 -4.031 1.00 0.00 C ATOM 0 H ILE A 33 9.290 -3.445 -0.678 1.00 0.00 H new ATOM 0 HA ILE A 33 7.207 -2.096 -2.281 1.00 0.00 H new ATOM 0 HB ILE A 33 7.495 -5.076 -1.951 1.00 0.00 H new ATOM 0 HG12 ILE A 33 9.800 -4.144 -2.277 1.00 0.00 H new ATOM 0 HG13 ILE A 33 9.261 -5.119 -3.630 1.00 0.00 H new ATOM 0 HG21 ILE A 33 6.784 -4.997 -4.324 1.00 0.00 H new ATOM 0 HG22 ILE A 33 5.635 -4.124 -3.282 1.00 0.00 H new ATOM 0 HG23 ILE A 33 6.806 -3.218 -4.270 1.00 0.00 H new ATOM 0 HD11 ILE A 33 10.296 -3.013 -4.426 1.00 0.00 H new ATOM 0 HD12 ILE A 33 8.570 -3.061 -4.855 1.00 0.00 H new ATOM 0 HD13 ILE A 33 9.117 -2.071 -3.482 1.00 0.00 H new ATOM 552 N THR A 34 5.552 -2.270 -0.335 1.00 0.00 N ATOM 553 CA THR A 34 4.475 -2.512 0.652 1.00 0.00 C ATOM 554 C THR A 34 3.227 -3.027 -0.068 1.00 0.00 C ATOM 555 O THR A 34 2.687 -2.389 -0.950 1.00 0.00 O ATOM 556 CB THR A 34 4.171 -1.214 1.407 1.00 0.00 C ATOM 557 OG1 THR A 34 5.200 -0.975 2.354 1.00 0.00 O ATOM 558 CG2 THR A 34 2.831 -1.338 2.133 1.00 0.00 C ATOM 0 H THR A 34 5.595 -1.326 -0.718 1.00 0.00 H new ATOM 0 HA THR A 34 4.795 -3.265 1.372 1.00 0.00 H new ATOM 0 HB THR A 34 4.119 -0.386 0.700 1.00 0.00 H new ATOM 0 HG1 THR A 34 5.924 -1.621 2.220 1.00 0.00 H new ATOM 0 HG21 THR A 34 2.620 -0.412 2.668 1.00 0.00 H new ATOM 0 HG22 THR A 34 2.040 -1.526 1.407 1.00 0.00 H new ATOM 0 HG23 THR A 34 2.876 -2.165 2.842 1.00 0.00 H new ATOM 566 N ALA A 35 2.794 -4.204 0.284 1.00 0.00 N ATOM 567 CA ALA A 35 1.603 -4.797 -0.383 1.00 0.00 C ATOM 568 C ALA A 35 0.330 -4.519 0.416 1.00 0.00 C ATOM 569 O ALA A 35 0.144 -5.055 1.489 1.00 0.00 O ATOM 570 CB ALA A 35 1.783 -6.308 -0.450 1.00 0.00 C ATOM 0 H ALA A 35 3.216 -4.784 1.009 1.00 0.00 H new ATOM 0 HA ALA A 35 1.511 -4.356 -1.376 1.00 0.00 H new ATOM 0 HB1 ALA A 35 0.917 -6.756 -0.937 1.00 0.00 H new ATOM 0 HB2 ALA A 35 2.682 -6.542 -1.020 1.00 0.00 H new ATOM 0 HB3 ALA A 35 1.879 -6.708 0.559 1.00 0.00 H new ATOM 576 N CYS A 36 -0.585 -3.751 -0.112 1.00 0.00 N ATOM 577 CA CYS A 36 -1.853 -3.546 0.641 1.00 0.00 C ATOM 578 C CYS A 36 -2.892 -4.436 -0.012 1.00 0.00 C ATOM 579 O CYS A 36 -3.091 -4.374 -1.201 1.00 0.00 O ATOM 580 CB CYS A 36 -2.331 -2.089 0.597 1.00 0.00 C ATOM 581 SG CYS A 36 -3.449 -1.809 1.987 1.00 0.00 S ATOM 0 H CYS A 36 -0.513 -3.269 -1.008 1.00 0.00 H new ATOM 0 HA CYS A 36 -1.695 -3.791 1.691 1.00 0.00 H new ATOM 0 HB2 CYS A 36 -1.480 -1.410 0.653 1.00 0.00 H new ATOM 0 HB3 CYS A 36 -2.840 -1.886 -0.345 1.00 0.00 H new ATOM 0 HG CYS A 36 -3.046 -0.777 2.667 1.00 0.00 H new ATOM 587 N ILE A 37 -3.551 -5.274 0.725 1.00 0.00 N ATOM 588 CA ILE A 37 -4.549 -6.153 0.074 1.00 0.00 C ATOM 589 C ILE A 37 -5.779 -5.329 -0.254 1.00 0.00 C ATOM 590 O ILE A 37 -6.263 -4.569 0.572 1.00 0.00 O ATOM 591 CB ILE A 37 -4.921 -7.325 0.999 1.00 0.00 C ATOM 592 CG1 ILE A 37 -5.211 -8.555 0.136 1.00 0.00 C ATOM 593 CG2 ILE A 37 -6.166 -6.998 1.849 1.00 0.00 C ATOM 594 CD1 ILE A 37 -6.653 -8.505 -0.368 1.00 0.00 C ATOM 0 H ILE A 37 -3.446 -5.389 1.733 1.00 0.00 H new ATOM 0 HA ILE A 37 -4.128 -6.570 -0.841 1.00 0.00 H new ATOM 0 HB ILE A 37 -4.088 -7.512 1.677 1.00 0.00 H new ATOM 0 HG12 ILE A 37 -4.522 -8.589 -0.708 1.00 0.00 H new ATOM 0 HG13 ILE A 37 -5.050 -9.464 0.716 1.00 0.00 H new ATOM 0 HG21 ILE A 37 -6.401 -7.847 2.491 1.00 0.00 H new ATOM 0 HG22 ILE A 37 -5.966 -6.121 2.465 1.00 0.00 H new ATOM 0 HG23 ILE A 37 -7.012 -6.794 1.192 1.00 0.00 H new ATOM 0 HD11 ILE A 37 -6.854 -9.383 -0.982 1.00 0.00 H new ATOM 0 HD12 ILE A 37 -7.335 -8.492 0.482 1.00 0.00 H new ATOM 0 HD13 ILE A 37 -6.799 -7.604 -0.964 1.00 0.00 H new ATOM 606 N VAL A 38 -6.259 -5.487 -1.459 1.00 0.00 N ATOM 607 CA VAL A 38 -7.452 -4.742 -1.930 1.00 0.00 C ATOM 608 C VAL A 38 -8.503 -5.743 -2.438 1.00 0.00 C ATOM 609 O VAL A 38 -8.203 -6.623 -3.224 1.00 0.00 O ATOM 610 CB VAL A 38 -7.000 -3.789 -3.056 1.00 0.00 C ATOM 611 CG1 VAL A 38 -7.431 -4.295 -4.440 1.00 0.00 C ATOM 612 CG2 VAL A 38 -7.595 -2.407 -2.811 1.00 0.00 C ATOM 0 H VAL A 38 -5.859 -6.120 -2.151 1.00 0.00 H new ATOM 0 HA VAL A 38 -7.901 -4.161 -1.124 1.00 0.00 H new ATOM 0 HB VAL A 38 -5.911 -3.743 -3.044 1.00 0.00 H new ATOM 0 HG11 VAL A 38 -7.093 -3.595 -5.205 1.00 0.00 H new ATOM 0 HG12 VAL A 38 -6.989 -5.274 -4.623 1.00 0.00 H new ATOM 0 HG13 VAL A 38 -8.517 -4.375 -4.476 1.00 0.00 H new ATOM 0 HG21 VAL A 38 -7.279 -1.729 -3.604 1.00 0.00 H new ATOM 0 HG22 VAL A 38 -8.683 -2.475 -2.804 1.00 0.00 H new ATOM 0 HG23 VAL A 38 -7.249 -2.027 -1.850 1.00 0.00 H new ATOM 622 N GLY A 39 -9.727 -5.611 -2.005 1.00 0.00 N ATOM 623 CA GLY A 39 -10.790 -6.550 -2.470 1.00 0.00 C ATOM 624 C GLY A 39 -10.247 -7.982 -2.490 1.00 0.00 C ATOM 625 O GLY A 39 -10.047 -8.595 -1.460 1.00 0.00 O ATOM 0 H GLY A 39 -10.038 -4.894 -1.349 1.00 0.00 H new ATOM 0 HA2 GLY A 39 -11.656 -6.489 -1.810 1.00 0.00 H new ATOM 0 HA3 GLY A 39 -11.128 -6.266 -3.467 1.00 0.00 H new ATOM 629 N SER A 40 -10.010 -8.520 -3.656 1.00 0.00 N ATOM 630 CA SER A 40 -9.484 -9.912 -3.741 1.00 0.00 C ATOM 631 C SER A 40 -8.092 -9.897 -4.377 1.00 0.00 C ATOM 632 O SER A 40 -7.408 -10.901 -4.420 1.00 0.00 O ATOM 633 CB SER A 40 -10.425 -10.760 -4.595 1.00 0.00 C ATOM 634 OG SER A 40 -10.281 -12.129 -4.235 1.00 0.00 O ATOM 0 H SER A 40 -10.158 -8.056 -4.552 1.00 0.00 H new ATOM 0 HA SER A 40 -9.419 -10.336 -2.739 1.00 0.00 H new ATOM 0 HB2 SER A 40 -11.456 -10.440 -4.448 1.00 0.00 H new ATOM 0 HB3 SER A 40 -10.197 -10.624 -5.652 1.00 0.00 H new ATOM 0 HG SER A 40 -10.885 -12.676 -4.780 1.00 0.00 H new ATOM 640 N ILE A 41 -7.663 -8.766 -4.865 1.00 0.00 N ATOM 641 CA ILE A 41 -6.312 -8.687 -5.489 1.00 0.00 C ATOM 642 C ILE A 41 -5.421 -7.804 -4.616 1.00 0.00 C ATOM 643 O ILE A 41 -5.893 -6.897 -3.961 1.00 0.00 O ATOM 644 CB ILE A 41 -6.428 -8.082 -6.890 1.00 0.00 C ATOM 645 CG1 ILE A 41 -7.357 -8.953 -7.741 1.00 0.00 C ATOM 646 CG2 ILE A 41 -5.046 -8.026 -7.541 1.00 0.00 C ATOM 647 CD1 ILE A 41 -8.146 -8.067 -8.707 1.00 0.00 C ATOM 0 H ILE A 41 -8.190 -7.893 -4.859 1.00 0.00 H new ATOM 0 HA ILE A 41 -5.879 -9.684 -5.570 1.00 0.00 H new ATOM 0 HB ILE A 41 -6.834 -7.073 -6.818 1.00 0.00 H new ATOM 0 HG12 ILE A 41 -6.775 -9.688 -8.298 1.00 0.00 H new ATOM 0 HG13 ILE A 41 -8.041 -9.508 -7.099 1.00 0.00 H new ATOM 0 HG21 ILE A 41 -5.131 -7.595 -8.539 1.00 0.00 H new ATOM 0 HG22 ILE A 41 -4.383 -7.409 -6.934 1.00 0.00 H new ATOM 0 HG23 ILE A 41 -4.638 -9.034 -7.615 1.00 0.00 H new ATOM 0 HD11 ILE A 41 -8.807 -8.687 -9.312 1.00 0.00 H new ATOM 0 HD12 ILE A 41 -8.740 -7.350 -8.140 1.00 0.00 H new ATOM 0 HD13 ILE A 41 -7.454 -7.532 -9.357 1.00 0.00 H new ATOM 659 N VAL A 42 -4.141 -8.061 -4.580 1.00 0.00 N ATOM 660 CA VAL A 42 -3.256 -7.223 -3.720 1.00 0.00 C ATOM 661 C VAL A 42 -2.699 -6.044 -4.501 1.00 0.00 C ATOM 662 O VAL A 42 -2.099 -6.191 -5.547 1.00 0.00 O ATOM 663 CB VAL A 42 -2.064 -8.023 -3.195 1.00 0.00 C ATOM 664 CG1 VAL A 42 -1.924 -7.794 -1.692 1.00 0.00 C ATOM 665 CG2 VAL A 42 -2.248 -9.516 -3.476 1.00 0.00 C ATOM 0 H VAL A 42 -3.675 -8.804 -5.101 1.00 0.00 H new ATOM 0 HA VAL A 42 -3.871 -6.879 -2.889 1.00 0.00 H new ATOM 0 HB VAL A 42 -1.162 -7.686 -3.705 1.00 0.00 H new ATOM 0 HG11 VAL A 42 -1.075 -8.363 -1.315 1.00 0.00 H new ATOM 0 HG12 VAL A 42 -1.764 -6.733 -1.499 1.00 0.00 H new ATOM 0 HG13 VAL A 42 -2.833 -8.122 -1.188 1.00 0.00 H new ATOM 0 HG21 VAL A 42 -1.388 -10.067 -3.094 1.00 0.00 H new ATOM 0 HG22 VAL A 42 -3.154 -9.870 -2.984 1.00 0.00 H new ATOM 0 HG23 VAL A 42 -2.333 -9.676 -4.551 1.00 0.00 H new ATOM 675 N THR A 43 -2.858 -4.879 -3.961 1.00 0.00 N ATOM 676 CA THR A 43 -2.302 -3.662 -4.611 1.00 0.00 C ATOM 677 C THR A 43 -1.045 -3.245 -3.841 1.00 0.00 C ATOM 678 O THR A 43 -1.110 -2.536 -2.852 1.00 0.00 O ATOM 679 CB THR A 43 -3.314 -2.515 -4.561 1.00 0.00 C ATOM 680 OG1 THR A 43 -3.383 -2.023 -3.236 1.00 0.00 O ATOM 681 CG2 THR A 43 -4.693 -3.004 -4.998 1.00 0.00 C ATOM 0 H THR A 43 -3.355 -4.710 -3.086 1.00 0.00 H new ATOM 0 HA THR A 43 -2.072 -3.880 -5.654 1.00 0.00 H new ATOM 0 HB THR A 43 -2.995 -1.723 -5.238 1.00 0.00 H new ATOM 0 HG1 THR A 43 -2.561 -1.532 -3.026 1.00 0.00 H new ATOM 0 HG21 THR A 43 -5.402 -2.177 -4.957 1.00 0.00 H new ATOM 0 HG22 THR A 43 -4.638 -3.385 -6.018 1.00 0.00 H new ATOM 0 HG23 THR A 43 -5.025 -3.800 -4.331 1.00 0.00 H new ATOM 689 N GLU A 44 0.099 -3.693 -4.263 1.00 0.00 N ATOM 690 CA GLU A 44 1.340 -3.318 -3.534 1.00 0.00 C ATOM 691 C GLU A 44 1.980 -2.102 -4.197 1.00 0.00 C ATOM 692 O GLU A 44 1.489 -1.583 -5.180 1.00 0.00 O ATOM 693 CB GLU A 44 2.327 -4.485 -3.550 1.00 0.00 C ATOM 694 CG GLU A 44 2.780 -4.751 -4.987 1.00 0.00 C ATOM 695 CD GLU A 44 2.906 -6.259 -5.213 1.00 0.00 C ATOM 696 OE1 GLU A 44 1.969 -6.966 -4.883 1.00 0.00 O ATOM 697 OE2 GLU A 44 3.937 -6.679 -5.712 1.00 0.00 O ATOM 0 H GLU A 44 0.231 -4.298 -5.074 1.00 0.00 H new ATOM 0 HA GLU A 44 1.085 -3.077 -2.502 1.00 0.00 H new ATOM 0 HB2 GLU A 44 3.188 -4.255 -2.923 1.00 0.00 H new ATOM 0 HB3 GLU A 44 1.859 -5.377 -3.134 1.00 0.00 H new ATOM 0 HG2 GLU A 44 2.063 -4.326 -5.690 1.00 0.00 H new ATOM 0 HG3 GLU A 44 3.737 -4.264 -5.174 1.00 0.00 H new ATOM 704 N GLY A 45 3.076 -1.646 -3.662 1.00 0.00 N ATOM 705 CA GLY A 45 3.762 -0.462 -4.250 1.00 0.00 C ATOM 706 C GLY A 45 5.176 -0.404 -3.688 1.00 0.00 C ATOM 707 O GLY A 45 5.491 -1.090 -2.743 1.00 0.00 O ATOM 0 H GLY A 45 3.529 -2.044 -2.839 1.00 0.00 H new ATOM 0 HA2 GLY A 45 3.788 -0.539 -5.337 1.00 0.00 H new ATOM 0 HA3 GLY A 45 3.219 0.451 -4.008 1.00 0.00 H new ATOM 711 N GLU A 46 6.037 0.392 -4.252 1.00 0.00 N ATOM 712 CA GLU A 46 7.427 0.454 -3.723 1.00 0.00 C ATOM 713 C GLU A 46 7.706 1.839 -3.143 1.00 0.00 C ATOM 714 O GLU A 46 8.120 2.743 -3.840 1.00 0.00 O ATOM 715 CB GLU A 46 8.431 0.155 -4.838 1.00 0.00 C ATOM 716 CG GLU A 46 7.780 0.354 -6.211 1.00 0.00 C ATOM 717 CD GLU A 46 8.820 0.113 -7.307 1.00 0.00 C ATOM 718 OE1 GLU A 46 9.960 0.496 -7.109 1.00 0.00 O ATOM 719 OE2 GLU A 46 8.457 -0.453 -8.325 1.00 0.00 O ATOM 0 H GLU A 46 5.843 0.998 -5.049 1.00 0.00 H new ATOM 0 HA GLU A 46 7.533 -0.294 -2.937 1.00 0.00 H new ATOM 0 HB2 GLU A 46 9.297 0.809 -4.741 1.00 0.00 H new ATOM 0 HB3 GLU A 46 8.793 -0.869 -4.745 1.00 0.00 H new ATOM 0 HG2 GLU A 46 6.943 -0.333 -6.332 1.00 0.00 H new ATOM 0 HG3 GLU A 46 7.378 1.364 -6.292 1.00 0.00 H new ATOM 726 N GLY A 47 7.490 2.007 -1.868 1.00 0.00 N ATOM 727 CA GLY A 47 7.754 3.334 -1.240 1.00 0.00 C ATOM 728 C GLY A 47 9.265 3.542 -1.110 1.00 0.00 C ATOM 729 O GLY A 47 10.043 2.626 -1.285 1.00 0.00 O ATOM 0 H GLY A 47 7.143 1.286 -1.235 1.00 0.00 H new ATOM 0 HA2 GLY A 47 7.317 4.129 -1.845 1.00 0.00 H new ATOM 0 HA3 GLY A 47 7.283 3.385 -0.258 1.00 0.00 H new ATOM 733 N ASN A 48 9.687 4.739 -0.809 1.00 0.00 N ATOM 734 CA ASN A 48 11.149 5.003 -0.672 1.00 0.00 C ATOM 735 C ASN A 48 11.487 5.276 0.797 1.00 0.00 C ATOM 736 O ASN A 48 11.416 6.396 1.262 1.00 0.00 O ATOM 737 CB ASN A 48 11.525 6.223 -1.515 1.00 0.00 C ATOM 738 CG ASN A 48 10.637 7.408 -1.124 1.00 0.00 C ATOM 739 OD1 ASN A 48 9.448 7.401 -1.374 1.00 0.00 O ATOM 740 ND2 ASN A 48 11.169 8.434 -0.517 1.00 0.00 N ATOM 0 H ASN A 48 9.084 5.546 -0.652 1.00 0.00 H new ATOM 0 HA ASN A 48 11.708 4.133 -1.016 1.00 0.00 H new ATOM 0 HB2 ASN A 48 12.574 6.475 -1.361 1.00 0.00 H new ATOM 0 HB3 ASN A 48 11.403 5.998 -2.574 1.00 0.00 H new ATOM 0 HD21 ASN A 48 10.587 9.229 -0.253 1.00 0.00 H new ATOM 0 HD22 ASN A 48 12.167 8.441 -0.307 1.00 0.00 H new ATOM 747 N GLY A 49 11.857 4.261 1.529 1.00 0.00 N ATOM 748 CA GLY A 49 12.200 4.460 2.964 1.00 0.00 C ATOM 749 C GLY A 49 11.652 3.292 3.784 1.00 0.00 C ATOM 750 O GLY A 49 11.456 2.206 3.278 1.00 0.00 O ATOM 0 H GLY A 49 11.936 3.301 1.194 1.00 0.00 H new ATOM 0 HA2 GLY A 49 13.281 4.528 3.085 1.00 0.00 H new ATOM 0 HA3 GLY A 49 11.780 5.399 3.323 1.00 0.00 H new ATOM 754 N LYS A 50 11.404 3.502 5.047 1.00 0.00 N ATOM 755 CA LYS A 50 10.870 2.398 5.893 1.00 0.00 C ATOM 756 C LYS A 50 9.439 2.727 6.321 1.00 0.00 C ATOM 757 O LYS A 50 8.554 1.897 6.249 1.00 0.00 O ATOM 758 CB LYS A 50 11.752 2.235 7.133 1.00 0.00 C ATOM 759 CG LYS A 50 11.385 0.935 7.853 1.00 0.00 C ATOM 760 CD LYS A 50 11.880 0.996 9.299 1.00 0.00 C ATOM 761 CE LYS A 50 12.728 -0.241 9.602 1.00 0.00 C ATOM 762 NZ LYS A 50 11.938 -1.195 10.431 1.00 0.00 N ATOM 0 H LYS A 50 11.548 4.389 5.529 1.00 0.00 H new ATOM 0 HA LYS A 50 10.871 1.469 5.322 1.00 0.00 H new ATOM 0 HB2 LYS A 50 12.803 2.220 6.845 1.00 0.00 H new ATOM 0 HB3 LYS A 50 11.617 3.085 7.802 1.00 0.00 H new ATOM 0 HG2 LYS A 50 10.305 0.788 7.833 1.00 0.00 H new ATOM 0 HG3 LYS A 50 11.832 0.084 7.340 1.00 0.00 H new ATOM 0 HD2 LYS A 50 12.468 1.900 9.455 1.00 0.00 H new ATOM 0 HD3 LYS A 50 11.033 1.045 9.983 1.00 0.00 H new ATOM 0 HE2 LYS A 50 13.037 -0.720 8.673 1.00 0.00 H new ATOM 0 HE3 LYS A 50 13.637 0.049 10.129 1.00 0.00 H new ATOM 0 HZ1 LYS A 50 12.514 -2.036 10.637 1.00 0.00 H new ATOM 0 HZ2 LYS A 50 11.665 -0.736 11.323 1.00 0.00 H new ATOM 0 HZ3 LYS A 50 11.083 -1.480 9.912 1.00 0.00 H new ATOM 776 N LYS A 51 9.203 3.931 6.765 1.00 0.00 N ATOM 777 CA LYS A 51 7.829 4.311 7.195 1.00 0.00 C ATOM 778 C LYS A 51 7.050 4.848 5.991 1.00 0.00 C ATOM 779 O LYS A 51 5.842 4.975 6.026 1.00 0.00 O ATOM 780 CB LYS A 51 7.914 5.397 8.271 1.00 0.00 C ATOM 781 CG LYS A 51 7.804 4.755 9.656 1.00 0.00 C ATOM 782 CD LYS A 51 7.868 5.844 10.729 1.00 0.00 C ATOM 783 CE LYS A 51 6.704 5.667 11.706 1.00 0.00 C ATOM 784 NZ LYS A 51 6.114 6.998 12.022 1.00 0.00 N ATOM 0 H LYS A 51 9.903 4.668 6.848 1.00 0.00 H new ATOM 0 HA LYS A 51 7.319 3.437 7.599 1.00 0.00 H new ATOM 0 HB2 LYS A 51 8.856 5.938 8.183 1.00 0.00 H new ATOM 0 HB3 LYS A 51 7.115 6.125 8.132 1.00 0.00 H new ATOM 0 HG2 LYS A 51 6.868 4.202 9.739 1.00 0.00 H new ATOM 0 HG3 LYS A 51 8.612 4.038 9.802 1.00 0.00 H new ATOM 0 HD2 LYS A 51 8.817 5.788 11.263 1.00 0.00 H new ATOM 0 HD3 LYS A 51 7.821 6.829 10.265 1.00 0.00 H new ATOM 0 HE2 LYS A 51 5.946 5.015 11.271 1.00 0.00 H new ATOM 0 HE3 LYS A 51 7.052 5.185 12.620 1.00 0.00 H new ATOM 0 HZ1 LYS A 51 5.323 6.878 12.686 1.00 0.00 H new ATOM 0 HZ2 LYS A 51 6.839 7.606 12.454 1.00 0.00 H new ATOM 0 HZ3 LYS A 51 5.768 7.441 11.147 1.00 0.00 H new ATOM 798 N VAL A 52 7.735 5.166 4.928 1.00 0.00 N ATOM 799 CA VAL A 52 7.042 5.698 3.721 1.00 0.00 C ATOM 800 C VAL A 52 6.352 4.549 2.981 1.00 0.00 C ATOM 801 O VAL A 52 5.261 4.691 2.477 1.00 0.00 O ATOM 802 CB VAL A 52 8.078 6.381 2.808 1.00 0.00 C ATOM 803 CG1 VAL A 52 8.614 5.401 1.757 1.00 0.00 C ATOM 804 CG2 VAL A 52 7.424 7.570 2.100 1.00 0.00 C ATOM 0 H VAL A 52 8.748 5.080 4.843 1.00 0.00 H new ATOM 0 HA VAL A 52 6.287 6.428 4.013 1.00 0.00 H new ATOM 0 HB VAL A 52 8.911 6.720 3.424 1.00 0.00 H new ATOM 0 HG11 VAL A 52 9.343 5.908 1.125 1.00 0.00 H new ATOM 0 HG12 VAL A 52 9.090 4.557 2.256 1.00 0.00 H new ATOM 0 HG13 VAL A 52 7.790 5.041 1.142 1.00 0.00 H new ATOM 0 HG21 VAL A 52 8.155 8.055 1.453 1.00 0.00 H new ATOM 0 HG22 VAL A 52 6.585 7.219 1.500 1.00 0.00 H new ATOM 0 HG23 VAL A 52 7.066 8.283 2.842 1.00 0.00 H new ATOM 814 N SER A 53 6.998 3.420 2.907 1.00 0.00 N ATOM 815 CA SER A 53 6.408 2.251 2.190 1.00 0.00 C ATOM 816 C SER A 53 4.897 2.174 2.435 1.00 0.00 C ATOM 817 O SER A 53 4.147 1.769 1.573 1.00 0.00 O ATOM 818 CB SER A 53 7.073 0.969 2.689 1.00 0.00 C ATOM 819 OG SER A 53 6.518 0.614 3.948 1.00 0.00 O ATOM 0 H SER A 53 7.918 3.253 3.315 1.00 0.00 H new ATOM 0 HA SER A 53 6.580 2.369 1.120 1.00 0.00 H new ATOM 0 HB2 SER A 53 6.921 0.163 1.971 1.00 0.00 H new ATOM 0 HB3 SER A 53 8.149 1.115 2.781 1.00 0.00 H new ATOM 0 HG SER A 53 5.693 0.103 3.810 1.00 0.00 H new ATOM 825 N LYS A 54 4.442 2.561 3.595 1.00 0.00 N ATOM 826 CA LYS A 54 2.974 2.505 3.876 1.00 0.00 C ATOM 827 C LYS A 54 2.264 3.615 3.099 1.00 0.00 C ATOM 828 O LYS A 54 1.261 3.387 2.456 1.00 0.00 O ATOM 829 CB LYS A 54 2.734 2.695 5.376 1.00 0.00 C ATOM 830 CG LYS A 54 2.497 1.333 6.031 1.00 0.00 C ATOM 831 CD LYS A 54 1.058 1.258 6.548 1.00 0.00 C ATOM 832 CE LYS A 54 0.953 0.160 7.608 1.00 0.00 C ATOM 833 NZ LYS A 54 0.450 0.747 8.883 1.00 0.00 N ATOM 0 H LYS A 54 5.018 2.913 4.360 1.00 0.00 H new ATOM 0 HA LYS A 54 2.581 1.537 3.566 1.00 0.00 H new ATOM 0 HB2 LYS A 54 3.593 3.186 5.833 1.00 0.00 H new ATOM 0 HB3 LYS A 54 1.873 3.343 5.538 1.00 0.00 H new ATOM 0 HG2 LYS A 54 2.678 0.535 5.311 1.00 0.00 H new ATOM 0 HG3 LYS A 54 3.198 1.186 6.853 1.00 0.00 H new ATOM 0 HD2 LYS A 54 0.762 2.217 6.973 1.00 0.00 H new ATOM 0 HD3 LYS A 54 0.375 1.050 5.725 1.00 0.00 H new ATOM 0 HE2 LYS A 54 0.280 -0.627 7.267 1.00 0.00 H new ATOM 0 HE3 LYS A 54 1.928 -0.301 7.767 1.00 0.00 H new ATOM 0 HZ1 LYS A 54 0.553 0.052 9.650 1.00 0.00 H new ATOM 0 HZ2 LYS A 54 0.999 1.600 9.113 1.00 0.00 H new ATOM 0 HZ3 LYS A 54 -0.553 0.999 8.777 1.00 0.00 H new ATOM 847 N LYS A 55 2.775 4.812 3.149 1.00 0.00 N ATOM 848 CA LYS A 55 2.126 5.927 2.403 1.00 0.00 C ATOM 849 C LYS A 55 2.099 5.585 0.910 1.00 0.00 C ATOM 850 O LYS A 55 1.070 5.645 0.261 1.00 0.00 O ATOM 851 CB LYS A 55 2.927 7.214 2.619 1.00 0.00 C ATOM 852 CG LYS A 55 2.950 7.564 4.108 1.00 0.00 C ATOM 853 CD LYS A 55 4.399 7.667 4.585 1.00 0.00 C ATOM 854 CE LYS A 55 4.523 8.798 5.608 1.00 0.00 C ATOM 855 NZ LYS A 55 5.816 9.511 5.405 1.00 0.00 N ATOM 0 H LYS A 55 3.612 5.068 3.673 1.00 0.00 H new ATOM 0 HA LYS A 55 1.107 6.069 2.764 1.00 0.00 H new ATOM 0 HB2 LYS A 55 3.945 7.087 2.250 1.00 0.00 H new ATOM 0 HB3 LYS A 55 2.482 8.031 2.051 1.00 0.00 H new ATOM 0 HG2 LYS A 55 2.432 8.508 4.279 1.00 0.00 H new ATOM 0 HG3 LYS A 55 2.421 6.802 4.680 1.00 0.00 H new ATOM 0 HD2 LYS A 55 4.714 6.723 5.031 1.00 0.00 H new ATOM 0 HD3 LYS A 55 5.059 7.855 3.738 1.00 0.00 H new ATOM 0 HE2 LYS A 55 3.691 9.494 5.500 1.00 0.00 H new ATOM 0 HE3 LYS A 55 4.472 8.395 6.620 1.00 0.00 H new ATOM 0 HZ1 LYS A 55 5.901 10.280 6.100 1.00 0.00 H new ATOM 0 HZ2 LYS A 55 6.604 8.843 5.529 1.00 0.00 H new ATOM 0 HZ3 LYS A 55 5.847 9.908 4.444 1.00 0.00 H new ATOM 869 N ARG A 56 3.229 5.229 0.362 1.00 0.00 N ATOM 870 CA ARG A 56 3.295 4.883 -1.085 1.00 0.00 C ATOM 871 C ARG A 56 2.377 3.696 -1.380 1.00 0.00 C ATOM 872 O ARG A 56 1.426 3.811 -2.129 1.00 0.00 O ATOM 873 CB ARG A 56 4.733 4.508 -1.449 1.00 0.00 C ATOM 874 CG ARG A 56 5.128 5.210 -2.748 1.00 0.00 C ATOM 875 CD ARG A 56 5.761 6.565 -2.424 1.00 0.00 C ATOM 876 NE ARG A 56 5.505 7.520 -3.541 1.00 0.00 N ATOM 877 CZ ARG A 56 5.509 7.098 -4.779 1.00 0.00 C ATOM 878 NH1 ARG A 56 4.421 6.599 -5.301 1.00 0.00 N ATOM 879 NH2 ARG A 56 6.599 7.176 -5.490 1.00 0.00 N ATOM 0 H ARG A 56 4.117 5.163 0.860 1.00 0.00 H new ATOM 0 HA ARG A 56 2.974 5.742 -1.674 1.00 0.00 H new ATOM 0 HB2 ARG A 56 5.410 4.798 -0.646 1.00 0.00 H new ATOM 0 HB3 ARG A 56 4.820 3.428 -1.565 1.00 0.00 H new ATOM 0 HG2 ARG A 56 5.831 4.593 -3.308 1.00 0.00 H new ATOM 0 HG3 ARG A 56 4.251 5.348 -3.380 1.00 0.00 H new ATOM 0 HD2 ARG A 56 5.347 6.958 -1.495 1.00 0.00 H new ATOM 0 HD3 ARG A 56 6.834 6.449 -2.271 1.00 0.00 H new ATOM 0 HE ARG A 56 5.327 8.504 -3.339 1.00 0.00 H new ATOM 0 HH11 ARG A 56 3.569 6.539 -4.743 1.00 0.00 H new ATOM 0 HH12 ARG A 56 4.423 6.270 -6.266 1.00 0.00 H new ATOM 0 HH21 ARG A 56 7.448 7.566 -5.081 1.00 0.00 H new ATOM 0 HH22 ARG A 56 6.603 6.847 -6.455 1.00 0.00 H new ATOM 893 N ALA A 57 2.660 2.554 -0.810 1.00 0.00 N ATOM 894 CA ALA A 57 1.810 1.358 -1.070 1.00 0.00 C ATOM 895 C ALA A 57 0.337 1.769 -1.056 1.00 0.00 C ATOM 896 O ALA A 57 -0.419 1.432 -1.944 1.00 0.00 O ATOM 897 CB ALA A 57 2.048 0.300 0.010 1.00 0.00 C ATOM 0 H ALA A 57 3.444 2.399 -0.176 1.00 0.00 H new ATOM 0 HA ALA A 57 2.070 0.942 -2.043 1.00 0.00 H new ATOM 0 HB1 ALA A 57 1.422 -0.570 -0.189 1.00 0.00 H new ATOM 0 HB2 ALA A 57 3.097 0.002 0.003 1.00 0.00 H new ATOM 0 HB3 ALA A 57 1.795 0.713 0.986 1.00 0.00 H new ATOM 903 N ALA A 58 -0.074 2.496 -0.051 1.00 0.00 N ATOM 904 CA ALA A 58 -1.496 2.933 0.024 1.00 0.00 C ATOM 905 C ALA A 58 -1.862 3.675 -1.258 1.00 0.00 C ATOM 906 O ALA A 58 -2.800 3.316 -1.939 1.00 0.00 O ATOM 907 CB ALA A 58 -1.700 3.847 1.235 1.00 0.00 C ATOM 0 H ALA A 58 0.516 2.806 0.722 1.00 0.00 H new ATOM 0 HA ALA A 58 -2.139 2.060 0.134 1.00 0.00 H new ATOM 0 HB1 ALA A 58 -2.743 4.162 1.282 1.00 0.00 H new ATOM 0 HB2 ALA A 58 -1.443 3.307 2.146 1.00 0.00 H new ATOM 0 HB3 ALA A 58 -1.060 4.724 1.141 1.00 0.00 H new ATOM 913 N GLU A 59 -1.129 4.698 -1.612 1.00 0.00 N ATOM 914 CA GLU A 59 -1.463 5.417 -2.871 1.00 0.00 C ATOM 915 C GLU A 59 -1.642 4.376 -3.968 1.00 0.00 C ATOM 916 O GLU A 59 -2.448 4.527 -4.858 1.00 0.00 O ATOM 917 CB GLU A 59 -0.332 6.370 -3.260 1.00 0.00 C ATOM 918 CG GLU A 59 -0.414 7.638 -2.406 1.00 0.00 C ATOM 919 CD GLU A 59 -0.916 8.801 -3.262 1.00 0.00 C ATOM 920 OE1 GLU A 59 -1.833 8.589 -4.037 1.00 0.00 O ATOM 921 OE2 GLU A 59 -0.375 9.887 -3.125 1.00 0.00 O ATOM 0 H GLU A 59 -0.329 5.060 -1.093 1.00 0.00 H new ATOM 0 HA GLU A 59 -2.373 6.001 -2.733 1.00 0.00 H new ATOM 0 HB2 GLU A 59 0.633 5.884 -3.116 1.00 0.00 H new ATOM 0 HB3 GLU A 59 -0.405 6.626 -4.317 1.00 0.00 H new ATOM 0 HG2 GLU A 59 -1.085 7.478 -1.562 1.00 0.00 H new ATOM 0 HG3 GLU A 59 0.566 7.874 -1.993 1.00 0.00 H new ATOM 928 N LYS A 60 -0.893 3.310 -3.896 1.00 0.00 N ATOM 929 CA LYS A 60 -1.008 2.238 -4.920 1.00 0.00 C ATOM 930 C LYS A 60 -2.388 1.582 -4.810 1.00 0.00 C ATOM 931 O LYS A 60 -3.051 1.337 -5.796 1.00 0.00 O ATOM 932 CB LYS A 60 0.081 1.191 -4.674 1.00 0.00 C ATOM 933 CG LYS A 60 1.010 1.128 -5.888 1.00 0.00 C ATOM 934 CD LYS A 60 0.229 0.631 -7.105 1.00 0.00 C ATOM 935 CE LYS A 60 1.054 -0.424 -7.847 1.00 0.00 C ATOM 936 NZ LYS A 60 1.839 0.230 -8.930 1.00 0.00 N ATOM 0 H LYS A 60 -0.202 3.136 -3.166 1.00 0.00 H new ATOM 0 HA LYS A 60 -0.887 2.662 -5.917 1.00 0.00 H new ATOM 0 HB2 LYS A 60 0.650 1.445 -3.780 1.00 0.00 H new ATOM 0 HB3 LYS A 60 -0.371 0.215 -4.497 1.00 0.00 H new ATOM 0 HG2 LYS A 60 1.429 2.114 -6.090 1.00 0.00 H new ATOM 0 HG3 LYS A 60 1.848 0.461 -5.684 1.00 0.00 H new ATOM 0 HD2 LYS A 60 -0.724 0.207 -6.790 1.00 0.00 H new ATOM 0 HD3 LYS A 60 0.003 1.464 -7.770 1.00 0.00 H new ATOM 0 HE2 LYS A 60 1.724 -0.931 -7.153 1.00 0.00 H new ATOM 0 HE3 LYS A 60 0.397 -1.185 -8.268 1.00 0.00 H new ATOM 0 HZ1 LYS A 60 2.399 -0.487 -9.434 1.00 0.00 H new ATOM 0 HZ2 LYS A 60 1.190 0.694 -9.597 1.00 0.00 H new ATOM 0 HZ3 LYS A 60 2.477 0.940 -8.516 1.00 0.00 H new ATOM 950 N MET A 61 -2.820 1.296 -3.612 1.00 0.00 N ATOM 951 CA MET A 61 -4.150 0.660 -3.423 1.00 0.00 C ATOM 952 C MET A 61 -5.259 1.613 -3.882 1.00 0.00 C ATOM 953 O MET A 61 -6.023 1.312 -4.778 1.00 0.00 O ATOM 954 CB MET A 61 -4.333 0.344 -1.936 1.00 0.00 C ATOM 955 CG MET A 61 -5.793 -0.016 -1.658 1.00 0.00 C ATOM 956 SD MET A 61 -5.900 -0.958 -0.114 1.00 0.00 S ATOM 957 CE MET A 61 -5.107 -2.464 -0.711 1.00 0.00 C ATOM 0 H MET A 61 -2.303 1.478 -2.752 1.00 0.00 H new ATOM 0 HA MET A 61 -4.206 -0.255 -4.013 1.00 0.00 H new ATOM 0 HB2 MET A 61 -3.684 -0.483 -1.648 1.00 0.00 H new ATOM 0 HB3 MET A 61 -4.040 1.204 -1.333 1.00 0.00 H new ATOM 0 HG2 MET A 61 -6.395 0.890 -1.586 1.00 0.00 H new ATOM 0 HG3 MET A 61 -6.197 -0.602 -2.483 1.00 0.00 H new ATOM 0 HE1 MET A 61 -5.066 -3.197 0.094 1.00 0.00 H new ATOM 0 HE2 MET A 61 -5.680 -2.872 -1.544 1.00 0.00 H new ATOM 0 HE3 MET A 61 -4.095 -2.235 -1.045 1.00 0.00 H new ATOM 967 N LEU A 62 -5.357 2.759 -3.270 1.00 0.00 N ATOM 968 CA LEU A 62 -6.422 3.725 -3.659 1.00 0.00 C ATOM 969 C LEU A 62 -6.300 4.035 -5.153 1.00 0.00 C ATOM 970 O LEU A 62 -7.196 3.767 -5.928 1.00 0.00 O ATOM 971 CB LEU A 62 -6.275 5.015 -2.837 1.00 0.00 C ATOM 972 CG LEU A 62 -6.231 4.719 -1.317 1.00 0.00 C ATOM 973 CD1 LEU A 62 -7.207 5.649 -0.593 1.00 0.00 C ATOM 974 CD2 LEU A 62 -6.623 3.264 -1.003 1.00 0.00 C ATOM 0 H LEU A 62 -4.745 3.069 -2.516 1.00 0.00 H new ATOM 0 HA LEU A 62 -7.402 3.292 -3.461 1.00 0.00 H new ATOM 0 HB2 LEU A 62 -5.364 5.535 -3.134 1.00 0.00 H new ATOM 0 HB3 LEU A 62 -7.108 5.683 -3.054 1.00 0.00 H new ATOM 0 HG LEU A 62 -5.208 4.882 -0.979 1.00 0.00 H new ATOM 0 HD11 LEU A 62 -7.179 5.444 0.477 1.00 0.00 H new ATOM 0 HD12 LEU A 62 -6.922 6.686 -0.771 1.00 0.00 H new ATOM 0 HD13 LEU A 62 -8.216 5.481 -0.968 1.00 0.00 H new ATOM 0 HD21 LEU A 62 -6.579 3.100 0.074 1.00 0.00 H new ATOM 0 HD22 LEU A 62 -7.636 3.076 -1.358 1.00 0.00 H new ATOM 0 HD23 LEU A 62 -5.932 2.585 -1.502 1.00 0.00 H new ATOM 986 N VAL A 63 -5.194 4.585 -5.565 1.00 0.00 N ATOM 987 CA VAL A 63 -5.011 4.895 -7.011 1.00 0.00 C ATOM 988 C VAL A 63 -5.363 3.653 -7.833 1.00 0.00 C ATOM 989 O VAL A 63 -5.890 3.745 -8.924 1.00 0.00 O ATOM 990 CB VAL A 63 -3.551 5.275 -7.260 1.00 0.00 C ATOM 991 CG1 VAL A 63 -3.288 5.359 -8.758 1.00 0.00 C ATOM 992 CG2 VAL A 63 -3.257 6.631 -6.615 1.00 0.00 C ATOM 0 H VAL A 63 -4.408 4.834 -4.964 1.00 0.00 H new ATOM 0 HA VAL A 63 -5.658 5.723 -7.301 1.00 0.00 H new ATOM 0 HB VAL A 63 -2.904 4.515 -6.822 1.00 0.00 H new ATOM 0 HG11 VAL A 63 -2.246 5.630 -8.930 1.00 0.00 H new ATOM 0 HG12 VAL A 63 -3.492 4.392 -9.218 1.00 0.00 H new ATOM 0 HG13 VAL A 63 -3.937 6.115 -9.200 1.00 0.00 H new ATOM 0 HG21 VAL A 63 -2.216 6.901 -6.793 1.00 0.00 H new ATOM 0 HG22 VAL A 63 -3.908 7.390 -7.050 1.00 0.00 H new ATOM 0 HG23 VAL A 63 -3.437 6.570 -5.542 1.00 0.00 H new ATOM 1002 N GLU A 64 -5.073 2.494 -7.311 1.00 0.00 N ATOM 1003 CA GLU A 64 -5.381 1.234 -8.047 1.00 0.00 C ATOM 1004 C GLU A 64 -6.888 1.140 -8.312 1.00 0.00 C ATOM 1005 O GLU A 64 -7.325 1.134 -9.445 1.00 0.00 O ATOM 1006 CB GLU A 64 -4.932 0.032 -7.213 1.00 0.00 C ATOM 1007 CG GLU A 64 -3.567 -0.448 -7.706 1.00 0.00 C ATOM 1008 CD GLU A 64 -3.758 -1.544 -8.756 1.00 0.00 C ATOM 1009 OE1 GLU A 64 -4.123 -2.643 -8.375 1.00 0.00 O ATOM 1010 OE2 GLU A 64 -3.535 -1.264 -9.922 1.00 0.00 O ATOM 0 H GLU A 64 -4.633 2.364 -6.400 1.00 0.00 H new ATOM 0 HA GLU A 64 -4.850 1.236 -8.999 1.00 0.00 H new ATOM 0 HB2 GLU A 64 -4.874 0.308 -6.160 1.00 0.00 H new ATOM 0 HB3 GLU A 64 -5.663 -0.773 -7.292 1.00 0.00 H new ATOM 0 HG2 GLU A 64 -3.009 0.386 -8.133 1.00 0.00 H new ATOM 0 HG3 GLU A 64 -2.980 -0.829 -6.870 1.00 0.00 H new ATOM 1017 N LEU A 65 -7.686 1.055 -7.280 1.00 0.00 N ATOM 1018 CA LEU A 65 -9.164 0.951 -7.500 1.00 0.00 C ATOM 1019 C LEU A 65 -9.667 2.178 -8.267 1.00 0.00 C ATOM 1020 O LEU A 65 -10.709 2.141 -8.891 1.00 0.00 O ATOM 1021 CB LEU A 65 -9.929 0.848 -6.168 1.00 0.00 C ATOM 1022 CG LEU A 65 -9.089 1.385 -5.009 1.00 0.00 C ATOM 1023 CD1 LEU A 65 -10.008 2.011 -3.958 1.00 0.00 C ATOM 1024 CD2 LEU A 65 -8.315 0.228 -4.376 1.00 0.00 C ATOM 0 H LEU A 65 -7.386 1.053 -6.305 1.00 0.00 H new ATOM 0 HA LEU A 65 -9.346 0.044 -8.077 1.00 0.00 H new ATOM 0 HB2 LEU A 65 -10.861 1.409 -6.236 1.00 0.00 H new ATOM 0 HB3 LEU A 65 -10.195 -0.192 -5.977 1.00 0.00 H new ATOM 0 HG LEU A 65 -8.394 2.139 -5.379 1.00 0.00 H new ATOM 0 HD11 LEU A 65 -9.408 2.394 -3.132 1.00 0.00 H new ATOM 0 HD12 LEU A 65 -10.571 2.829 -4.408 1.00 0.00 H new ATOM 0 HD13 LEU A 65 -10.701 1.257 -3.585 1.00 0.00 H new ATOM 0 HD21 LEU A 65 -7.713 0.603 -3.548 1.00 0.00 H new ATOM 0 HD22 LEU A 65 -9.017 -0.519 -4.005 1.00 0.00 H new ATOM 0 HD23 LEU A 65 -7.663 -0.225 -5.123 1.00 0.00 H new ATOM 1036 N GLN A 66 -8.948 3.265 -8.224 1.00 0.00 N ATOM 1037 CA GLN A 66 -9.405 4.486 -8.949 1.00 0.00 C ATOM 1038 C GLN A 66 -9.013 4.394 -10.426 1.00 0.00 C ATOM 1039 O GLN A 66 -9.611 5.024 -11.276 1.00 0.00 O ATOM 1040 CB GLN A 66 -8.758 5.721 -8.322 1.00 0.00 C ATOM 1041 CG GLN A 66 -9.517 6.093 -7.049 1.00 0.00 C ATOM 1042 CD GLN A 66 -8.633 5.900 -5.847 1.00 0.00 C ATOM 1043 OE1 GLN A 66 -7.477 6.276 -5.840 1.00 0.00 O ATOM 1044 NE2 GLN A 66 -9.149 5.319 -4.818 1.00 0.00 N ATOM 0 H GLN A 66 -8.066 3.362 -7.720 1.00 0.00 H new ATOM 0 HA GLN A 66 -10.490 4.564 -8.873 1.00 0.00 H new ATOM 0 HB2 GLN A 66 -7.712 5.521 -8.091 1.00 0.00 H new ATOM 0 HB3 GLN A 66 -8.775 6.553 -9.026 1.00 0.00 H new ATOM 0 HG2 GLN A 66 -9.849 7.130 -7.104 1.00 0.00 H new ATOM 0 HG3 GLN A 66 -10.411 5.477 -6.956 1.00 0.00 H new ATOM 0 HE21 GLN A 66 -10.121 5.010 -4.841 1.00 0.00 H new ATOM 0 HE22 GLN A 66 -8.585 5.169 -3.981 1.00 0.00 H new ATOM 1053 N LYS A 67 -8.015 3.616 -10.742 1.00 0.00 N ATOM 1054 CA LYS A 67 -7.593 3.489 -12.166 1.00 0.00 C ATOM 1055 C LYS A 67 -8.530 2.522 -12.890 1.00 0.00 C ATOM 1056 O LYS A 67 -8.834 2.692 -14.053 1.00 0.00 O ATOM 1057 CB LYS A 67 -6.160 2.956 -12.228 1.00 0.00 C ATOM 1058 CG LYS A 67 -5.187 4.125 -12.388 1.00 0.00 C ATOM 1059 CD LYS A 67 -3.762 3.648 -12.098 1.00 0.00 C ATOM 1060 CE LYS A 67 -2.849 4.026 -13.267 1.00 0.00 C ATOM 1061 NZ LYS A 67 -2.693 2.854 -14.175 1.00 0.00 N ATOM 0 H LYS A 67 -7.474 3.063 -10.077 1.00 0.00 H new ATOM 0 HA LYS A 67 -7.637 4.466 -12.647 1.00 0.00 H new ATOM 0 HB2 LYS A 67 -5.929 2.398 -11.321 1.00 0.00 H new ATOM 0 HB3 LYS A 67 -6.054 2.264 -13.063 1.00 0.00 H new ATOM 0 HG2 LYS A 67 -5.248 4.527 -13.399 1.00 0.00 H new ATOM 0 HG3 LYS A 67 -5.457 4.932 -11.707 1.00 0.00 H new ATOM 0 HD2 LYS A 67 -3.396 4.100 -11.176 1.00 0.00 H new ATOM 0 HD3 LYS A 67 -3.752 2.568 -11.949 1.00 0.00 H new ATOM 0 HE2 LYS A 67 -3.271 4.869 -13.814 1.00 0.00 H new ATOM 0 HE3 LYS A 67 -1.875 4.343 -12.894 1.00 0.00 H new ATOM 0 HZ1 LYS A 67 -2.073 3.110 -14.969 1.00 0.00 H new ATOM 0 HZ2 LYS A 67 -2.273 2.061 -13.649 1.00 0.00 H new ATOM 0 HZ3 LYS A 67 -3.625 2.572 -14.541 1.00 0.00 H new ATOM 1075 N LEU A 68 -8.988 1.510 -12.210 1.00 0.00 N ATOM 1076 CA LEU A 68 -9.904 0.532 -12.853 1.00 0.00 C ATOM 1077 C LEU A 68 -11.261 1.192 -13.110 1.00 0.00 C ATOM 1078 O LEU A 68 -12.198 0.473 -13.411 1.00 0.00 O ATOM 1079 CB LEU A 68 -10.086 -0.666 -11.922 1.00 0.00 C ATOM 1080 CG LEU A 68 -8.724 -1.106 -11.383 1.00 0.00 C ATOM 1081 CD1 LEU A 68 -8.875 -2.431 -10.634 1.00 0.00 C ATOM 1082 CD2 LEU A 68 -7.752 -1.289 -12.551 1.00 0.00 C ATOM 1083 OXT LEU A 68 -11.337 2.404 -13.002 1.00 0.00 O ATOM 0 H LEU A 68 -8.766 1.318 -11.233 1.00 0.00 H new ATOM 0 HA LEU A 68 -9.481 0.201 -13.802 1.00 0.00 H new ATOM 0 HB2 LEU A 68 -10.747 -0.401 -11.097 1.00 0.00 H new ATOM 0 HB3 LEU A 68 -10.559 -1.488 -12.459 1.00 0.00 H new ATOM 0 HG LEU A 68 -8.339 -0.347 -10.702 1.00 0.00 H new ATOM 0 HD11 LEU A 68 -7.904 -2.745 -10.250 1.00 0.00 H new ATOM 0 HD12 LEU A 68 -9.569 -2.303 -9.804 1.00 0.00 H new ATOM 0 HD13 LEU A 68 -9.259 -3.192 -11.314 1.00 0.00 H new ATOM 0 HD21 LEU A 68 -6.780 -1.603 -12.170 1.00 0.00 H new ATOM 0 HD22 LEU A 68 -8.138 -2.049 -13.230 1.00 0.00 H new ATOM 0 HD23 LEU A 68 -7.645 -0.346 -13.086 1.00 0.00 H new TER 1095 LEU A 68