USER MOD reduce.3.24.130724 H: found=0, std=0, add=651, rem=0, adj=18 USER MOD reduce.3.24.130724 removed 651 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 82 SER OG : rot 180:sc= -0.162 USER MOD Set 1.2: A 83 THR OG1 : rot 180:sc= 0.0164 USER MOD Set 1.3: A 84 SER OG : rot 180:sc= 0 USER MOD Set 2.1: A 36 ASN : amide:sc=-0.00346 X(o=-0.0035,f=-0.19) USER MOD Set 2.2: A 37 SER OG : rot 180:sc= 0 USER MOD Set 3.1: A 18 GLN : amide:sc= -1.54 X(o=-1.5,f=-1.8!) USER MOD Set 3.2: A 19 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Set 4.1: A 1 MET N :NH3+ -178:sc= 1.12 (180deg=1.12) USER MOD Set 4.2: A 5 GLN : amide:sc= -2.88! C(o=-1.8!,f=-4.4!) USER MOD Single : A 1 MET CE :methyl -129:sc= -3.7! (180deg=-6.32!) USER MOD Single : A 2 THR OG1 : rot 131:sc= 0.321 USER MOD Single : A 7 GLN : amide:sc= -1.86! C(o=-1.9!,f=-3.9!) USER MOD Single : A 9 ASN : amide:sc= -8.28! C(o=-8.3!,f=-10!) USER MOD Single : A 12 GLN : amide:sc= 0 X(o=0,f=-0.035) USER MOD Single : A 26 SER OG : rot 180:sc= 0 USER MOD Single : A 29 THR OG1 : rot 64:sc= 0.925 USER MOD Single : A 32 LYS NZ :NH3+ -154:sc= 0.332 (180deg=0.0937) USER MOD Single : A 33 ASN : amide:sc= 0 K(o=0,f=-1.5) USER MOD Single : A 38 SER OG : rot -158:sc= 1.25 USER MOD Single : A 40 THR OG1 : rot 180:sc= 0 USER MOD Single : A 41 THR OG1 : rot 180:sc= 0 USER MOD Single : A 49 SER OG : rot -6:sc= 1.4 USER MOD Single : A 52 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 62 ASN : amide:sc= 0.0543 K(o=0.054,f=-1) USER MOD Single : A 64 ASN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 65 ASN : amide:sc= 0.23 K(o=0.23,f=-0.76) USER MOD Single : A 72 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 76 ASN : amide:sc= 0 K(o=0,f=-0.99) USER MOD Single : A 79 TYR OH : rot 180:sc= 0 USER MOD Single : A 80 LYS NZ :NH3+ -143:sc= -0.158 (180deg=-0.707) USER MOD Single : A 85 THR OG1 : rot 95:sc= 0.371 USER MOD Single : A 86 ASN : amide:sc= 0.145 K(o=0.15,f=-5.3!) USER MOD Single : A 88 ASN : amide:sc= -0.242 X(o=-0.24,f=-0.47) USER MOD Single : A 89 SER OG : rot 180:sc= 0 USER MOD Single : A 91 ASN : amide:sc= 0 X(o=0,f=-0.012) USER MOD ----------------------------------------------------------------- ATOM 1 N MET A 1 13.590 -0.302 4.454 1.00 1.70 N ATOM 2 CA MET A 1 12.155 -0.519 4.728 1.00 1.61 C ATOM 3 C MET A 1 11.877 -0.556 6.208 1.00 0.88 C ATOM 4 O MET A 1 12.500 -1.293 6.970 1.00 1.16 O ATOM 5 CB MET A 1 11.666 -1.814 4.064 1.00 2.50 C ATOM 6 CG MET A 1 10.215 -2.164 4.376 1.00 2.77 C ATOM 7 SD MET A 1 10.017 -3.016 5.957 1.00 2.91 S ATOM 8 CE MET A 1 8.236 -3.039 6.129 1.00 2.61 C ATOM 0 H1 MET A 1 13.743 -0.248 3.427 1.00 1.70 H new ATOM 0 H2 MET A 1 13.898 0.587 4.897 1.00 1.70 H new ATOM 0 H3 MET A 1 14.141 -1.092 4.845 1.00 1.70 H new ATOM 0 HA MET A 1 11.608 0.323 4.303 1.00 1.61 H new ATOM 0 HB2 MET A 1 11.782 -1.722 2.984 1.00 2.50 H new ATOM 0 HB3 MET A 1 12.304 -2.637 4.385 1.00 2.50 H new ATOM 0 HG2 MET A 1 9.621 -1.250 4.385 1.00 2.77 H new ATOM 0 HG3 MET A 1 9.820 -2.793 3.579 1.00 2.77 H new ATOM 0 HE1 MET A 1 7.960 -2.652 7.110 1.00 2.61 H new ATOM 0 HE2 MET A 1 7.788 -2.417 5.354 1.00 2.61 H new ATOM 0 HE3 MET A 1 7.874 -4.062 6.028 1.00 2.61 H new ATOM 20 N THR A 2 10.941 0.275 6.599 1.00 0.65 N ATOM 21 CA THR A 2 10.351 0.210 7.906 1.00 1.13 C ATOM 22 C THR A 2 8.859 0.063 7.716 1.00 1.10 C ATOM 23 O THR A 2 8.355 0.278 6.610 1.00 1.86 O ATOM 24 CB THR A 2 10.639 1.484 8.720 1.00 1.75 C ATOM 25 OG1 THR A 2 10.165 2.627 7.996 1.00 2.36 O ATOM 26 CG2 THR A 2 12.126 1.632 8.996 1.00 2.63 C ATOM 0 H THR A 2 10.567 1.020 6.011 1.00 0.65 H new ATOM 0 HA THR A 2 10.773 -0.631 8.456 1.00 1.13 H new ATOM 0 HB THR A 2 10.122 1.409 9.677 1.00 1.75 H new ATOM 0 HG1 THR A 2 9.625 3.190 8.590 1.00 2.36 H new ATOM 0 HG21 THR A 2 12.300 2.540 9.573 1.00 2.63 H new ATOM 0 HG22 THR A 2 12.479 0.770 9.562 1.00 2.63 H new ATOM 0 HG23 THR A 2 12.667 1.692 8.052 1.00 2.63 H new ATOM 34 N CYS A 3 8.137 -0.280 8.758 1.00 0.81 N ATOM 35 CA CYS A 3 6.693 -0.302 8.661 1.00 0.69 C ATOM 36 C CYS A 3 6.178 1.129 8.785 1.00 0.65 C ATOM 37 O CYS A 3 4.979 1.375 8.900 1.00 0.79 O ATOM 38 CB CYS A 3 6.083 -1.222 9.717 1.00 0.76 C ATOM 39 SG CYS A 3 4.408 -1.813 9.312 1.00 0.70 S ATOM 0 H CYS A 3 8.516 -0.543 9.668 1.00 0.81 H new ATOM 0 HA CYS A 3 6.393 -0.706 7.694 1.00 0.69 H new ATOM 0 HB2 CYS A 3 6.737 -2.083 9.854 1.00 0.76 H new ATOM 0 HB3 CYS A 3 6.049 -0.692 10.669 1.00 0.76 H new ATOM 44 N GLY A 4 7.117 2.072 8.720 1.00 0.57 N ATOM 45 CA GLY A 4 6.780 3.478 8.693 1.00 0.56 C ATOM 46 C GLY A 4 6.893 3.996 7.284 1.00 0.51 C ATOM 47 O GLY A 4 6.232 4.961 6.894 1.00 0.53 O ATOM 0 H GLY A 4 8.118 1.878 8.685 1.00 0.57 H new ATOM 0 HA2 GLY A 4 5.767 3.627 9.066 1.00 0.56 H new ATOM 0 HA3 GLY A 4 7.447 4.035 9.351 1.00 0.56 H new ATOM 51 N GLN A 5 7.750 3.335 6.521 1.00 0.52 N ATOM 52 CA GLN A 5 7.863 3.568 5.095 1.00 0.51 C ATOM 53 C GLN A 5 6.558 3.175 4.416 1.00 0.46 C ATOM 54 O GLN A 5 6.012 3.921 3.604 1.00 0.52 O ATOM 55 CB GLN A 5 9.029 2.760 4.525 1.00 0.60 C ATOM 56 CG GLN A 5 9.221 2.912 3.025 1.00 0.62 C ATOM 57 CD GLN A 5 10.382 2.086 2.512 1.00 0.81 C ATOM 58 OE1 GLN A 5 11.364 1.876 3.222 1.00 1.25 O ATOM 59 NE2 GLN A 5 10.271 1.601 1.286 1.00 0.96 N ATOM 0 H GLN A 5 8.386 2.621 6.877 1.00 0.52 H new ATOM 0 HA GLN A 5 8.055 4.625 4.911 1.00 0.51 H new ATOM 0 HB2 GLN A 5 9.947 3.063 5.029 1.00 0.60 H new ATOM 0 HB3 GLN A 5 8.872 1.706 4.754 1.00 0.60 H new ATOM 0 HG2 GLN A 5 8.308 2.612 2.511 1.00 0.62 H new ATOM 0 HG3 GLN A 5 9.390 3.962 2.786 1.00 0.62 H new ATOM 0 HE21 GLN A 5 9.438 1.801 0.732 1.00 0.96 H new ATOM 0 HE22 GLN A 5 11.018 1.028 0.895 1.00 0.96 H new ATOM 68 N VAL A 6 6.047 2.003 4.789 1.00 0.43 N ATOM 69 CA VAL A 6 4.786 1.508 4.250 1.00 0.44 C ATOM 70 C VAL A 6 3.598 2.234 4.886 1.00 0.44 C ATOM 71 O VAL A 6 2.508 2.276 4.317 1.00 0.49 O ATOM 72 CB VAL A 6 4.651 -0.019 4.456 1.00 0.49 C ATOM 73 CG1 VAL A 6 4.567 -0.370 5.924 1.00 1.02 C ATOM 74 CG2 VAL A 6 3.451 -0.573 3.697 1.00 1.12 C ATOM 0 H VAL A 6 6.489 1.379 5.464 1.00 0.43 H new ATOM 0 HA VAL A 6 4.784 1.710 3.179 1.00 0.44 H new ATOM 0 HB VAL A 6 5.550 -0.485 4.052 1.00 0.49 H new ATOM 0 HG11 VAL A 6 4.473 -1.450 6.035 1.00 1.02 H new ATOM 0 HG12 VAL A 6 5.470 -0.030 6.432 1.00 1.02 H new ATOM 0 HG13 VAL A 6 3.698 0.117 6.365 1.00 1.02 H new ATOM 0 HG21 VAL A 6 3.382 -1.648 3.861 1.00 1.12 H new ATOM 0 HG22 VAL A 6 2.541 -0.092 4.055 1.00 1.12 H new ATOM 0 HG23 VAL A 6 3.571 -0.375 2.632 1.00 1.12 H new ATOM 84 N GLN A 7 3.817 2.815 6.065 1.00 0.47 N ATOM 85 CA GLN A 7 2.794 3.630 6.713 1.00 0.54 C ATOM 86 C GLN A 7 2.367 4.753 5.786 1.00 0.58 C ATOM 87 O GLN A 7 1.186 4.926 5.518 1.00 0.70 O ATOM 88 CB GLN A 7 3.308 4.223 8.028 1.00 0.66 C ATOM 89 CG GLN A 7 2.737 3.571 9.277 1.00 0.98 C ATOM 90 CD GLN A 7 1.250 3.819 9.446 1.00 1.27 C ATOM 91 OE1 GLN A 7 0.723 4.842 9.008 1.00 1.97 O ATOM 92 NE2 GLN A 7 0.570 2.896 10.105 1.00 1.69 N ATOM 0 H GLN A 7 4.689 2.736 6.588 1.00 0.47 H new ATOM 0 HA GLN A 7 1.942 2.988 6.934 1.00 0.54 H new ATOM 0 HB2 GLN A 7 4.394 4.136 8.052 1.00 0.66 H new ATOM 0 HB3 GLN A 7 3.073 5.287 8.049 1.00 0.66 H new ATOM 0 HG2 GLN A 7 2.919 2.497 9.235 1.00 0.98 H new ATOM 0 HG3 GLN A 7 3.265 3.950 10.152 1.00 0.98 H new ATOM 0 HE21 GLN A 7 1.045 2.063 10.451 1.00 1.69 H new ATOM 0 HE22 GLN A 7 -0.430 3.017 10.267 1.00 1.69 H new ATOM 101 N GLY A 8 3.347 5.482 5.258 1.00 0.60 N ATOM 102 CA GLY A 8 3.066 6.603 4.377 1.00 0.70 C ATOM 103 C GLY A 8 2.342 6.188 3.108 1.00 0.66 C ATOM 104 O GLY A 8 1.764 7.021 2.418 1.00 0.82 O ATOM 0 H GLY A 8 4.339 5.314 5.427 1.00 0.60 H new ATOM 0 HA2 GLY A 8 2.462 7.336 4.911 1.00 0.70 H new ATOM 0 HA3 GLY A 8 4.002 7.094 4.112 1.00 0.70 H new ATOM 108 N ASN A 9 2.368 4.896 2.807 1.00 0.58 N ATOM 109 CA ASN A 9 1.708 4.373 1.618 1.00 0.63 C ATOM 110 C ASN A 9 0.189 4.402 1.793 1.00 0.62 C ATOM 111 O ASN A 9 -0.541 4.756 0.875 1.00 0.78 O ATOM 112 CB ASN A 9 2.201 2.944 1.323 1.00 0.75 C ATOM 113 CG ASN A 9 1.541 2.304 0.114 1.00 1.30 C ATOM 114 OD1 ASN A 9 0.477 1.701 0.211 1.00 1.86 O ATOM 115 ND2 ASN A 9 2.188 2.398 -1.032 1.00 1.86 N ATOM 0 H ASN A 9 2.840 4.190 3.371 1.00 0.58 H new ATOM 0 HA ASN A 9 1.961 5.006 0.768 1.00 0.63 H new ATOM 0 HB2 ASN A 9 3.279 2.967 1.167 1.00 0.75 H new ATOM 0 HB3 ASN A 9 2.019 2.319 2.198 1.00 0.75 H new ATOM 0 HD21 ASN A 9 1.805 1.962 -1.871 1.00 1.86 H new ATOM 0 HD22 ASN A 9 3.071 2.907 -1.079 1.00 1.86 H new ATOM 122 N LEU A 10 -0.280 4.063 2.989 1.00 0.56 N ATOM 123 CA LEU A 10 -1.718 4.017 3.243 1.00 0.66 C ATOM 124 C LEU A 10 -2.184 5.148 4.145 1.00 0.65 C ATOM 125 O LEU A 10 -3.307 5.618 4.011 1.00 0.72 O ATOM 126 CB LEU A 10 -2.130 2.684 3.865 1.00 0.89 C ATOM 127 CG LEU A 10 -2.049 1.479 2.932 1.00 1.00 C ATOM 128 CD1 LEU A 10 -0.666 0.852 2.981 1.00 1.45 C ATOM 129 CD2 LEU A 10 -3.128 0.466 3.280 1.00 1.73 C ATOM 0 H LEU A 10 0.304 3.819 3.789 1.00 0.56 H new ATOM 0 HA LEU A 10 -2.198 4.131 2.271 1.00 0.66 H new ATOM 0 HB2 LEU A 10 -1.497 2.495 4.732 1.00 0.89 H new ATOM 0 HB3 LEU A 10 -3.153 2.773 4.230 1.00 0.89 H new ATOM 0 HG LEU A 10 -2.222 1.818 1.910 1.00 1.00 H new ATOM 0 HD11 LEU A 10 -0.631 -0.005 2.308 1.00 1.45 H new ATOM 0 HD12 LEU A 10 0.078 1.587 2.672 1.00 1.45 H new ATOM 0 HD13 LEU A 10 -0.451 0.524 3.998 1.00 1.45 H new ATOM 0 HD21 LEU A 10 -3.057 -0.387 2.606 1.00 1.73 H new ATOM 0 HD22 LEU A 10 -2.993 0.129 4.308 1.00 1.73 H new ATOM 0 HD23 LEU A 10 -4.109 0.929 3.177 1.00 1.73 H new ATOM 141 N ALA A 11 -1.325 5.593 5.053 1.00 0.62 N ATOM 142 CA ALA A 11 -1.703 6.592 6.051 1.00 0.69 C ATOM 143 C ALA A 11 -2.150 7.899 5.412 1.00 0.63 C ATOM 144 O ALA A 11 -2.860 8.689 6.029 1.00 0.72 O ATOM 145 CB ALA A 11 -0.552 6.858 7.004 1.00 0.77 C ATOM 0 H ALA A 11 -0.357 5.278 5.121 1.00 0.62 H new ATOM 0 HA ALA A 11 -2.548 6.183 6.605 1.00 0.69 H new ATOM 0 HB1 ALA A 11 -0.853 7.604 7.739 1.00 0.77 H new ATOM 0 HB2 ALA A 11 -0.282 5.934 7.515 1.00 0.77 H new ATOM 0 HB3 ALA A 11 0.307 7.227 6.443 1.00 0.77 H new ATOM 151 N GLN A 12 -1.738 8.131 4.180 1.00 0.56 N ATOM 152 CA GLN A 12 -2.084 9.369 3.507 1.00 0.53 C ATOM 153 C GLN A 12 -3.385 9.229 2.742 1.00 0.52 C ATOM 154 O GLN A 12 -4.063 10.220 2.475 1.00 0.60 O ATOM 155 CB GLN A 12 -0.963 9.800 2.568 1.00 0.56 C ATOM 156 CG GLN A 12 0.417 9.744 3.198 1.00 0.52 C ATOM 157 CD GLN A 12 1.463 10.482 2.391 1.00 1.30 C ATOM 158 OE1 GLN A 12 2.131 9.905 1.536 1.00 2.18 O ATOM 159 NE2 GLN A 12 1.615 11.768 2.664 1.00 1.88 N ATOM 0 H GLN A 12 -1.170 7.487 3.630 1.00 0.56 H new ATOM 0 HA GLN A 12 -2.218 10.137 4.268 1.00 0.53 H new ATOM 0 HB2 GLN A 12 -0.975 9.161 1.685 1.00 0.56 H new ATOM 0 HB3 GLN A 12 -1.157 10.818 2.229 1.00 0.56 H new ATOM 0 HG2 GLN A 12 0.371 10.170 4.200 1.00 0.52 H new ATOM 0 HG3 GLN A 12 0.719 8.702 3.308 1.00 0.52 H new ATOM 0 HE21 GLN A 12 1.040 12.208 3.382 1.00 1.88 H new ATOM 0 HE22 GLN A 12 2.308 12.319 2.157 1.00 1.88 H new ATOM 168 N CYS A 13 -3.746 8.007 2.389 1.00 0.52 N ATOM 169 CA CYS A 13 -5.021 7.782 1.743 1.00 0.56 C ATOM 170 C CYS A 13 -6.046 7.297 2.741 1.00 0.53 C ATOM 171 O CYS A 13 -7.225 7.275 2.436 1.00 0.56 O ATOM 172 CB CYS A 13 -4.902 6.785 0.595 1.00 0.69 C ATOM 173 SG CYS A 13 -4.612 7.561 -1.022 1.00 1.23 S ATOM 0 H CYS A 13 -3.182 7.170 2.537 1.00 0.52 H new ATOM 0 HA CYS A 13 -5.348 8.736 1.330 1.00 0.56 H new ATOM 0 HB2 CYS A 13 -4.086 6.095 0.808 1.00 0.69 H new ATOM 0 HB3 CYS A 13 -5.815 6.192 0.545 1.00 0.69 H new ATOM 178 N ILE A 14 -5.583 6.949 3.944 1.00 0.58 N ATOM 179 CA ILE A 14 -6.421 6.350 4.973 1.00 0.67 C ATOM 180 C ILE A 14 -7.691 7.160 5.225 1.00 0.67 C ATOM 181 O ILE A 14 -8.710 6.609 5.625 1.00 0.77 O ATOM 182 CB ILE A 14 -5.640 6.168 6.296 1.00 0.80 C ATOM 183 CG1 ILE A 14 -6.320 5.103 7.143 1.00 0.98 C ATOM 184 CG2 ILE A 14 -5.532 7.483 7.065 1.00 1.04 C ATOM 185 CD1 ILE A 14 -5.573 4.760 8.412 1.00 1.11 C ATOM 0 H ILE A 14 -4.612 7.077 4.228 1.00 0.58 H new ATOM 0 HA ILE A 14 -6.717 5.369 4.600 1.00 0.67 H new ATOM 0 HB ILE A 14 -4.625 5.847 6.060 1.00 0.80 H new ATOM 0 HG12 ILE A 14 -7.322 5.445 7.404 1.00 0.98 H new ATOM 0 HG13 ILE A 14 -6.437 4.198 6.546 1.00 0.98 H new ATOM 0 HG21 ILE A 14 -4.978 7.320 7.989 1.00 1.04 H new ATOM 0 HG22 ILE A 14 -5.010 8.220 6.454 1.00 1.04 H new ATOM 0 HG23 ILE A 14 -6.531 7.849 7.301 1.00 1.04 H new ATOM 0 HD11 ILE A 14 -6.121 3.994 8.961 1.00 1.11 H new ATOM 0 HD12 ILE A 14 -4.580 4.386 8.160 1.00 1.11 H new ATOM 0 HD13 ILE A 14 -5.479 5.652 9.031 1.00 1.11 H new ATOM 197 N GLY A 15 -7.632 8.464 4.981 1.00 0.66 N ATOM 198 CA GLY A 15 -8.833 9.276 5.068 1.00 0.76 C ATOM 199 C GLY A 15 -9.897 8.812 4.099 1.00 0.86 C ATOM 200 O GLY A 15 -10.977 8.398 4.496 1.00 1.45 O ATOM 0 H GLY A 15 -6.784 8.970 4.727 1.00 0.66 H new ATOM 0 HA2 GLY A 15 -9.225 9.237 6.084 1.00 0.76 H new ATOM 0 HA3 GLY A 15 -8.583 10.317 4.862 1.00 0.76 H new ATOM 204 N PHE A 16 -9.573 8.884 2.822 1.00 0.61 N ATOM 205 CA PHE A 16 -10.438 8.387 1.760 1.00 0.60 C ATOM 206 C PHE A 16 -10.628 6.879 1.892 1.00 0.60 C ATOM 207 O PHE A 16 -11.704 6.342 1.643 1.00 0.69 O ATOM 208 CB PHE A 16 -9.794 8.745 0.420 1.00 0.59 C ATOM 209 CG PHE A 16 -10.245 7.916 -0.755 1.00 0.62 C ATOM 210 CD1 PHE A 16 -11.332 8.305 -1.516 1.00 0.73 C ATOM 211 CD2 PHE A 16 -9.567 6.754 -1.102 1.00 0.71 C ATOM 212 CE1 PHE A 16 -11.735 7.559 -2.605 1.00 0.86 C ATOM 213 CE2 PHE A 16 -9.968 6.002 -2.189 1.00 0.85 C ATOM 214 CZ PHE A 16 -11.055 6.405 -2.940 1.00 0.91 C ATOM 0 H PHE A 16 -8.699 9.290 2.487 1.00 0.61 H new ATOM 0 HA PHE A 16 -11.425 8.845 1.827 1.00 0.60 H new ATOM 0 HB2 PHE A 16 -10.002 9.793 0.205 1.00 0.59 H new ATOM 0 HB3 PHE A 16 -8.713 8.648 0.518 1.00 0.59 H new ATOM 0 HD1 PHE A 16 -11.872 9.203 -1.255 1.00 0.73 H new ATOM 0 HD2 PHE A 16 -8.718 6.435 -0.516 1.00 0.71 H new ATOM 0 HE1 PHE A 16 -12.582 7.878 -3.195 1.00 0.86 H new ATOM 0 HE2 PHE A 16 -9.433 5.101 -2.451 1.00 0.85 H new ATOM 0 HZ PHE A 16 -11.373 5.818 -3.789 1.00 0.91 H new ATOM 224 N LEU A 17 -9.556 6.230 2.299 1.00 0.56 N ATOM 225 CA LEU A 17 -9.500 4.793 2.488 1.00 0.67 C ATOM 226 C LEU A 17 -10.571 4.341 3.475 1.00 0.79 C ATOM 227 O LEU A 17 -11.342 3.425 3.195 1.00 0.87 O ATOM 228 CB LEU A 17 -8.117 4.442 3.037 1.00 0.74 C ATOM 229 CG LEU A 17 -7.619 3.027 2.798 1.00 0.79 C ATOM 230 CD1 LEU A 17 -7.427 2.774 1.312 1.00 0.96 C ATOM 231 CD2 LEU A 17 -6.317 2.793 3.548 1.00 1.43 C ATOM 0 H LEU A 17 -8.676 6.699 2.513 1.00 0.56 H new ATOM 0 HA LEU A 17 -9.678 4.289 1.538 1.00 0.67 H new ATOM 0 HB2 LEU A 17 -7.395 5.133 2.603 1.00 0.74 H new ATOM 0 HB3 LEU A 17 -8.124 4.622 4.112 1.00 0.74 H new ATOM 0 HG LEU A 17 -8.367 2.328 3.172 1.00 0.79 H new ATOM 0 HD11 LEU A 17 -7.070 1.756 1.159 1.00 0.96 H new ATOM 0 HD12 LEU A 17 -8.377 2.907 0.795 1.00 0.96 H new ATOM 0 HD13 LEU A 17 -6.696 3.478 0.915 1.00 0.96 H new ATOM 0 HD21 LEU A 17 -5.971 1.775 3.368 1.00 1.43 H new ATOM 0 HD22 LEU A 17 -5.564 3.499 3.199 1.00 1.43 H new ATOM 0 HD23 LEU A 17 -6.481 2.937 4.616 1.00 1.43 H new ATOM 243 N GLN A 18 -10.627 5.012 4.622 1.00 0.87 N ATOM 244 CA GLN A 18 -11.498 4.614 5.705 1.00 1.07 C ATOM 245 C GLN A 18 -12.816 5.385 5.669 1.00 1.09 C ATOM 246 O GLN A 18 -13.894 4.797 5.731 1.00 1.20 O ATOM 247 CB GLN A 18 -10.787 4.873 7.031 1.00 1.25 C ATOM 248 CG GLN A 18 -11.681 4.708 8.232 1.00 1.08 C ATOM 249 CD GLN A 18 -11.049 5.211 9.516 1.00 1.33 C ATOM 250 OE1 GLN A 18 -11.748 5.638 10.435 1.00 1.73 O ATOM 251 NE2 GLN A 18 -9.730 5.167 9.590 1.00 2.00 N ATOM 0 H GLN A 18 -10.069 5.843 4.819 1.00 0.87 H new ATOM 0 HA GLN A 18 -11.727 3.554 5.598 1.00 1.07 H new ATOM 0 HB2 GLN A 18 -9.941 4.191 7.120 1.00 1.25 H new ATOM 0 HB3 GLN A 18 -10.381 5.885 7.026 1.00 1.25 H new ATOM 0 HG2 GLN A 18 -12.615 5.243 8.059 1.00 1.08 H new ATOM 0 HG3 GLN A 18 -11.935 3.654 8.347 1.00 1.08 H new ATOM 0 HE21 GLN A 18 -9.187 4.806 8.806 1.00 2.00 H new ATOM 0 HE22 GLN A 18 -9.255 5.494 10.431 1.00 2.00 H new ATOM 260 N LYS A 19 -12.722 6.704 5.567 1.00 1.06 N ATOM 261 CA LYS A 19 -13.897 7.563 5.619 1.00 1.21 C ATOM 262 C LYS A 19 -14.442 7.803 4.218 1.00 1.34 C ATOM 263 O LYS A 19 -15.623 7.580 3.946 1.00 2.08 O ATOM 264 CB LYS A 19 -13.549 8.911 6.260 1.00 1.41 C ATOM 265 CG LYS A 19 -12.815 8.806 7.586 1.00 1.98 C ATOM 266 CD LYS A 19 -13.687 8.181 8.658 1.00 2.69 C ATOM 267 CE LYS A 19 -13.083 8.357 10.037 1.00 3.29 C ATOM 268 NZ LYS A 19 -13.974 7.806 11.087 1.00 4.09 N ATOM 0 H LYS A 19 -11.841 7.204 5.447 1.00 1.06 H new ATOM 0 HA LYS A 19 -14.654 7.062 6.222 1.00 1.21 H new ATOM 0 HB2 LYS A 19 -12.936 9.483 5.564 1.00 1.41 H new ATOM 0 HB3 LYS A 19 -14.469 9.475 6.412 1.00 1.41 H new ATOM 0 HG2 LYS A 19 -11.912 8.209 7.457 1.00 1.98 H new ATOM 0 HG3 LYS A 19 -12.498 9.798 7.907 1.00 1.98 H new ATOM 0 HD2 LYS A 19 -14.678 8.635 8.633 1.00 2.69 H new ATOM 0 HD3 LYS A 19 -13.817 7.119 8.449 1.00 2.69 H new ATOM 0 HE2 LYS A 19 -12.115 7.858 10.079 1.00 3.29 H new ATOM 0 HE3 LYS A 19 -12.905 9.415 10.226 1.00 3.29 H new ATOM 0 HZ1 LYS A 19 -13.535 7.940 12.020 1.00 4.09 H new ATOM 0 HZ2 LYS A 19 -14.889 8.300 11.060 1.00 4.09 H new ATOM 0 HZ3 LYS A 19 -14.124 6.791 10.918 1.00 4.09 H new ATOM 282 N GLY A 20 -13.568 8.263 3.339 1.00 1.18 N ATOM 283 CA GLY A 20 -13.965 8.607 1.990 1.00 1.47 C ATOM 284 C GLY A 20 -13.481 9.991 1.617 1.00 1.29 C ATOM 285 O GLY A 20 -12.977 10.719 2.472 1.00 1.99 O ATOM 0 H GLY A 20 -12.578 8.406 3.539 1.00 1.18 H new ATOM 0 HA2 GLY A 20 -13.560 7.876 1.291 1.00 1.47 H new ATOM 0 HA3 GLY A 20 -15.051 8.563 1.904 1.00 1.47 H new ATOM 289 N GLY A 21 -13.609 10.357 0.351 1.00 1.10 N ATOM 290 CA GLY A 21 -13.194 11.678 -0.075 1.00 1.37 C ATOM 291 C GLY A 21 -12.497 11.671 -1.420 1.00 1.26 C ATOM 292 O GLY A 21 -13.142 11.541 -2.460 1.00 1.79 O ATOM 0 H GLY A 21 -13.991 9.766 -0.387 1.00 1.10 H new ATOM 0 HA2 GLY A 21 -14.067 12.329 -0.127 1.00 1.37 H new ATOM 0 HA3 GLY A 21 -12.525 12.102 0.673 1.00 1.37 H new ATOM 296 N VAL A 22 -11.178 11.807 -1.399 1.00 1.14 N ATOM 297 CA VAL A 22 -10.388 11.898 -2.620 1.00 1.00 C ATOM 298 C VAL A 22 -8.964 11.410 -2.360 1.00 0.82 C ATOM 299 O VAL A 22 -8.480 11.478 -1.228 1.00 0.87 O ATOM 300 CB VAL A 22 -10.361 13.357 -3.147 1.00 1.11 C ATOM 301 CG1 VAL A 22 -9.730 14.294 -2.128 1.00 1.92 C ATOM 302 CG2 VAL A 22 -9.640 13.450 -4.483 1.00 1.28 C ATOM 0 H VAL A 22 -10.628 11.857 -0.541 1.00 1.14 H new ATOM 0 HA VAL A 22 -10.850 11.265 -3.378 1.00 1.00 H new ATOM 0 HB VAL A 22 -11.394 13.669 -3.302 1.00 1.11 H new ATOM 0 HG11 VAL A 22 -9.724 15.310 -2.523 1.00 1.92 H new ATOM 0 HG12 VAL A 22 -10.307 14.268 -1.203 1.00 1.92 H new ATOM 0 HG13 VAL A 22 -8.707 13.977 -1.927 1.00 1.92 H new ATOM 0 HG21 VAL A 22 -9.639 14.485 -4.824 1.00 1.28 H new ATOM 0 HG22 VAL A 22 -8.613 13.105 -4.367 1.00 1.28 H new ATOM 0 HG23 VAL A 22 -10.151 12.827 -5.217 1.00 1.28 H new ATOM 312 N VAL A 23 -8.307 10.896 -3.395 1.00 0.71 N ATOM 313 CA VAL A 23 -6.918 10.481 -3.285 1.00 0.58 C ATOM 314 C VAL A 23 -5.989 11.636 -3.646 1.00 0.54 C ATOM 315 O VAL A 23 -5.928 12.069 -4.797 1.00 0.58 O ATOM 316 CB VAL A 23 -6.602 9.268 -4.184 1.00 0.58 C ATOM 317 CG1 VAL A 23 -5.118 8.929 -4.144 1.00 0.51 C ATOM 318 CG2 VAL A 23 -7.428 8.069 -3.758 1.00 0.69 C ATOM 0 H VAL A 23 -8.717 10.758 -4.319 1.00 0.71 H new ATOM 0 HA VAL A 23 -6.754 10.184 -2.249 1.00 0.58 H new ATOM 0 HB VAL A 23 -6.862 9.529 -5.210 1.00 0.58 H new ATOM 0 HG11 VAL A 23 -4.924 8.070 -4.787 1.00 0.51 H new ATOM 0 HG12 VAL A 23 -4.540 9.784 -4.496 1.00 0.51 H new ATOM 0 HG13 VAL A 23 -4.827 8.690 -3.121 1.00 0.51 H new ATOM 0 HG21 VAL A 23 -7.195 7.220 -4.401 1.00 0.69 H new ATOM 0 HG22 VAL A 23 -7.195 7.816 -2.724 1.00 0.69 H new ATOM 0 HG23 VAL A 23 -8.488 8.309 -3.843 1.00 0.69 H new ATOM 328 N PRO A 24 -5.279 12.160 -2.647 1.00 0.54 N ATOM 329 CA PRO A 24 -4.340 13.264 -2.831 1.00 0.58 C ATOM 330 C PRO A 24 -3.011 12.809 -3.439 1.00 0.55 C ATOM 331 O PRO A 24 -2.563 11.683 -3.204 1.00 0.47 O ATOM 332 CB PRO A 24 -4.123 13.760 -1.399 1.00 0.67 C ATOM 333 CG PRO A 24 -4.304 12.545 -0.559 1.00 0.81 C ATOM 334 CD PRO A 24 -5.353 11.716 -1.246 1.00 0.59 C ATOM 0 HA PRO A 24 -4.720 14.019 -3.519 1.00 0.58 H new ATOM 0 HB2 PRO A 24 -3.128 14.187 -1.272 1.00 0.67 H new ATOM 0 HB3 PRO A 24 -4.840 14.537 -1.134 1.00 0.67 H new ATOM 0 HG2 PRO A 24 -3.369 11.992 -0.467 1.00 0.81 H new ATOM 0 HG3 PRO A 24 -4.617 12.812 0.450 1.00 0.81 H new ATOM 0 HD2 PRO A 24 -5.147 10.650 -1.152 1.00 0.59 H new ATOM 0 HD3 PRO A 24 -6.342 11.889 -0.822 1.00 0.59 H new ATOM 342 N PRO A 25 -2.351 13.690 -4.215 1.00 0.65 N ATOM 343 CA PRO A 25 -1.013 13.421 -4.767 1.00 0.67 C ATOM 344 C PRO A 25 0.027 13.205 -3.662 1.00 0.66 C ATOM 345 O PRO A 25 1.138 12.732 -3.909 1.00 0.71 O ATOM 346 CB PRO A 25 -0.687 14.678 -5.582 1.00 0.81 C ATOM 347 CG PRO A 25 -1.637 15.723 -5.104 1.00 1.03 C ATOM 348 CD PRO A 25 -2.868 15.000 -4.638 1.00 0.81 C ATOM 0 HA PRO A 25 -0.994 12.509 -5.364 1.00 0.67 H new ATOM 0 HB2 PRO A 25 0.347 14.988 -5.428 1.00 0.81 H new ATOM 0 HB3 PRO A 25 -0.809 14.496 -6.650 1.00 0.81 H new ATOM 0 HG2 PRO A 25 -1.198 16.304 -4.293 1.00 1.03 H new ATOM 0 HG3 PRO A 25 -1.878 16.423 -5.904 1.00 1.03 H new ATOM 0 HD2 PRO A 25 -3.356 15.524 -3.816 1.00 0.81 H new ATOM 0 HD3 PRO A 25 -3.604 14.903 -5.436 1.00 0.81 H new ATOM 356 N SER A 26 -0.370 13.528 -2.442 1.00 0.68 N ATOM 357 CA SER A 26 0.460 13.317 -1.269 1.00 0.73 C ATOM 358 C SER A 26 0.535 11.832 -1.003 1.00 0.65 C ATOM 359 O SER A 26 1.611 11.238 -0.983 1.00 0.68 O ATOM 360 CB SER A 26 -0.158 14.016 -0.064 1.00 0.83 C ATOM 361 OG SER A 26 -0.456 15.371 -0.354 1.00 0.91 O ATOM 0 H SER A 26 -1.278 13.944 -2.238 1.00 0.68 H new ATOM 0 HA SER A 26 1.456 13.724 -1.440 1.00 0.73 H new ATOM 0 HB2 SER A 26 -1.069 13.496 0.233 1.00 0.83 H new ATOM 0 HB3 SER A 26 0.529 13.965 0.781 1.00 0.83 H new ATOM 0 HG SER A 26 -0.853 15.795 0.435 1.00 0.91 H new ATOM 367 N CYS A 27 -0.644 11.243 -0.840 1.00 0.58 N ATOM 368 CA CYS A 27 -0.786 9.809 -0.707 1.00 0.55 C ATOM 369 C CYS A 27 -0.102 9.111 -1.865 1.00 0.47 C ATOM 370 O CYS A 27 0.615 8.134 -1.668 1.00 0.48 O ATOM 371 CB CYS A 27 -2.263 9.443 -0.674 1.00 0.57 C ATOM 372 SG CYS A 27 -2.596 7.712 -1.118 1.00 0.74 S ATOM 0 H CYS A 27 -1.526 11.753 -0.797 1.00 0.58 H new ATOM 0 HA CYS A 27 -0.317 9.486 0.223 1.00 0.55 H new ATOM 0 HB2 CYS A 27 -2.654 9.634 0.326 1.00 0.57 H new ATOM 0 HB3 CYS A 27 -2.805 10.095 -1.358 1.00 0.57 H new ATOM 377 N CYS A 28 -0.306 9.642 -3.073 1.00 0.42 N ATOM 378 CA CYS A 28 0.330 9.100 -4.265 1.00 0.40 C ATOM 379 C CYS A 28 1.824 8.932 -4.036 1.00 0.45 C ATOM 380 O CYS A 28 2.397 7.883 -4.328 1.00 0.50 O ATOM 381 CB CYS A 28 0.070 10.004 -5.481 1.00 0.45 C ATOM 382 SG CYS A 28 1.251 9.817 -6.874 1.00 1.40 S ATOM 0 H CYS A 28 -0.908 10.447 -3.246 1.00 0.42 H new ATOM 0 HA CYS A 28 -0.103 8.121 -4.471 1.00 0.40 H new ATOM 0 HB2 CYS A 28 -0.936 9.805 -5.851 1.00 0.45 H new ATOM 0 HB3 CYS A 28 0.088 11.042 -5.150 1.00 0.45 H new ATOM 387 N THR A 29 2.433 9.946 -3.458 1.00 0.51 N ATOM 388 CA THR A 29 3.861 9.948 -3.254 1.00 0.58 C ATOM 389 C THR A 29 4.292 8.796 -2.334 1.00 0.54 C ATOM 390 O THR A 29 5.314 8.147 -2.570 1.00 0.56 O ATOM 391 CB THR A 29 4.324 11.297 -2.666 1.00 0.72 C ATOM 392 OG1 THR A 29 3.922 12.374 -3.527 1.00 0.79 O ATOM 393 CG2 THR A 29 5.829 11.328 -2.482 1.00 0.77 C ATOM 0 H THR A 29 1.956 10.782 -3.121 1.00 0.51 H new ATOM 0 HA THR A 29 4.335 9.806 -4.225 1.00 0.58 H new ATOM 0 HB THR A 29 3.855 11.415 -1.689 1.00 0.72 H new ATOM 0 HG1 THR A 29 2.944 12.419 -3.559 1.00 0.79 H new ATOM 0 HG21 THR A 29 6.125 12.291 -2.066 1.00 0.77 H new ATOM 0 HG22 THR A 29 6.129 10.531 -1.801 1.00 0.77 H new ATOM 0 HG23 THR A 29 6.316 11.184 -3.446 1.00 0.77 H new ATOM 401 N GLY A 30 3.497 8.535 -1.300 1.00 0.54 N ATOM 402 CA GLY A 30 3.781 7.425 -0.407 1.00 0.57 C ATOM 403 C GLY A 30 3.453 6.085 -1.037 1.00 0.47 C ATOM 404 O GLY A 30 4.121 5.081 -0.777 1.00 0.51 O ATOM 0 H GLY A 30 2.662 9.072 -1.065 1.00 0.54 H new ATOM 0 HA2 GLY A 30 4.835 7.445 -0.128 1.00 0.57 H new ATOM 0 HA3 GLY A 30 3.206 7.543 0.511 1.00 0.57 H new ATOM 408 N VAL A 31 2.424 6.067 -1.869 1.00 0.41 N ATOM 409 CA VAL A 31 2.041 4.857 -2.578 1.00 0.44 C ATOM 410 C VAL A 31 3.111 4.466 -3.580 1.00 0.39 C ATOM 411 O VAL A 31 3.566 3.320 -3.598 1.00 0.40 O ATOM 412 CB VAL A 31 0.687 5.015 -3.303 1.00 0.56 C ATOM 413 CG1 VAL A 31 0.336 3.767 -4.098 1.00 0.68 C ATOM 414 CG2 VAL A 31 -0.416 5.326 -2.310 1.00 0.65 C ATOM 0 H VAL A 31 1.839 6.878 -2.070 1.00 0.41 H new ATOM 0 HA VAL A 31 1.934 4.070 -1.831 1.00 0.44 H new ATOM 0 HB VAL A 31 0.781 5.847 -4.001 1.00 0.56 H new ATOM 0 HG11 VAL A 31 -0.623 3.911 -4.596 1.00 0.68 H new ATOM 0 HG12 VAL A 31 1.109 3.582 -4.844 1.00 0.68 H new ATOM 0 HG13 VAL A 31 0.270 2.913 -3.424 1.00 0.68 H new ATOM 0 HG21 VAL A 31 -1.363 5.434 -2.840 1.00 0.65 H new ATOM 0 HG22 VAL A 31 -0.495 4.514 -1.588 1.00 0.65 H new ATOM 0 HG23 VAL A 31 -0.184 6.254 -1.788 1.00 0.65 H new ATOM 424 N LYS A 32 3.537 5.422 -4.392 1.00 0.40 N ATOM 425 CA LYS A 32 4.566 5.162 -5.381 1.00 0.46 C ATOM 426 C LYS A 32 5.896 4.873 -4.691 1.00 0.44 C ATOM 427 O LYS A 32 6.803 4.297 -5.275 1.00 0.49 O ATOM 428 CB LYS A 32 4.701 6.336 -6.351 1.00 0.58 C ATOM 429 CG LYS A 32 5.688 6.082 -7.482 1.00 1.05 C ATOM 430 CD LYS A 32 5.466 7.030 -8.645 1.00 1.14 C ATOM 431 CE LYS A 32 4.119 6.782 -9.303 1.00 1.31 C ATOM 432 NZ LYS A 32 3.836 7.776 -10.369 1.00 1.54 N ATOM 0 H LYS A 32 3.186 6.380 -4.384 1.00 0.40 H new ATOM 0 HA LYS A 32 4.276 4.285 -5.959 1.00 0.46 H new ATOM 0 HB2 LYS A 32 3.723 6.559 -6.777 1.00 0.58 H new ATOM 0 HB3 LYS A 32 5.016 7.220 -5.797 1.00 0.58 H new ATOM 0 HG2 LYS A 32 6.706 6.196 -7.109 1.00 1.05 H new ATOM 0 HG3 LYS A 32 5.588 5.053 -7.827 1.00 1.05 H new ATOM 0 HD2 LYS A 32 5.518 8.060 -8.293 1.00 1.14 H new ATOM 0 HD3 LYS A 32 6.262 6.903 -9.379 1.00 1.14 H new ATOM 0 HE2 LYS A 32 4.101 5.778 -9.728 1.00 1.31 H new ATOM 0 HE3 LYS A 32 3.333 6.823 -8.549 1.00 1.31 H new ATOM 0 HZ1 LYS A 32 2.807 7.875 -10.488 1.00 1.54 H new ATOM 0 HZ2 LYS A 32 4.244 8.695 -10.104 1.00 1.54 H new ATOM 0 HZ3 LYS A 32 4.258 7.455 -11.264 1.00 1.54 H new ATOM 446 N ASN A 33 5.996 5.260 -3.429 1.00 0.41 N ATOM 447 CA ASN A 33 7.183 4.973 -2.639 1.00 0.44 C ATOM 448 C ASN A 33 7.338 3.464 -2.457 1.00 0.39 C ATOM 449 O ASN A 33 8.422 2.921 -2.608 1.00 0.46 O ATOM 450 CB ASN A 33 7.096 5.671 -1.279 1.00 0.52 C ATOM 451 CG ASN A 33 8.370 5.551 -0.465 1.00 1.19 C ATOM 452 OD1 ASN A 33 8.555 4.596 0.283 1.00 2.11 O ATOM 453 ND2 ASN A 33 9.246 6.535 -0.598 1.00 1.58 N ATOM 0 H ASN A 33 5.270 5.774 -2.930 1.00 0.41 H new ATOM 0 HA ASN A 33 8.059 5.353 -3.166 1.00 0.44 H new ATOM 0 HB2 ASN A 33 6.868 6.726 -1.433 1.00 0.52 H new ATOM 0 HB3 ASN A 33 6.268 5.246 -0.712 1.00 0.52 H new ATOM 0 HD21 ASN A 33 10.116 6.518 -0.066 1.00 1.58 H new ATOM 0 HD22 ASN A 33 9.050 7.310 -1.232 1.00 1.58 H new ATOM 460 N ILE A 34 6.231 2.789 -2.172 1.00 0.36 N ATOM 461 CA ILE A 34 6.232 1.333 -1.997 1.00 0.40 C ATOM 462 C ILE A 34 6.176 0.627 -3.355 1.00 0.48 C ATOM 463 O ILE A 34 6.474 -0.563 -3.476 1.00 0.57 O ATOM 464 CB ILE A 34 5.046 0.908 -1.067 1.00 0.48 C ATOM 465 CG1 ILE A 34 5.477 0.934 0.406 1.00 0.61 C ATOM 466 CG2 ILE A 34 4.492 -0.470 -1.413 1.00 0.65 C ATOM 467 CD1 ILE A 34 6.526 1.972 0.722 1.00 0.58 C ATOM 0 H ILE A 34 5.316 3.224 -2.056 1.00 0.36 H new ATOM 0 HA ILE A 34 7.161 1.028 -1.515 1.00 0.40 H new ATOM 0 HB ILE A 34 4.250 1.634 -1.231 1.00 0.48 H new ATOM 0 HG12 ILE A 34 4.600 1.118 1.027 1.00 0.61 H new ATOM 0 HG13 ILE A 34 5.860 -0.049 0.679 1.00 0.61 H new ATOM 0 HG21 ILE A 34 3.672 -0.713 -0.737 1.00 0.65 H new ATOM 0 HG22 ILE A 34 4.127 -0.468 -2.440 1.00 0.65 H new ATOM 0 HG23 ILE A 34 5.280 -1.216 -1.310 1.00 0.65 H new ATOM 0 HD11 ILE A 34 6.776 1.926 1.782 1.00 0.58 H new ATOM 0 HD12 ILE A 34 7.420 1.778 0.130 1.00 0.58 H new ATOM 0 HD13 ILE A 34 6.141 2.963 0.483 1.00 0.58 H new ATOM 479 N LEU A 35 5.858 1.387 -4.389 1.00 0.56 N ATOM 480 CA LEU A 35 5.646 0.820 -5.713 1.00 0.79 C ATOM 481 C LEU A 35 6.593 1.397 -6.739 1.00 0.93 C ATOM 482 O LEU A 35 6.333 1.382 -7.942 1.00 1.31 O ATOM 483 CB LEU A 35 4.203 1.051 -6.109 1.00 1.04 C ATOM 484 CG LEU A 35 3.243 0.213 -5.307 1.00 1.16 C ATOM 485 CD1 LEU A 35 1.885 0.873 -5.226 1.00 1.36 C ATOM 486 CD2 LEU A 35 3.156 -1.153 -5.938 1.00 1.93 C ATOM 0 H LEU A 35 5.741 2.399 -4.339 1.00 0.56 H new ATOM 0 HA LEU A 35 5.855 -0.249 -5.677 1.00 0.79 H new ATOM 0 HB2 LEU A 35 3.958 2.105 -5.977 1.00 1.04 H new ATOM 0 HB3 LEU A 35 4.080 0.825 -7.168 1.00 1.04 H new ATOM 0 HG LEU A 35 3.606 0.114 -4.284 1.00 1.16 H new ATOM 0 HD11 LEU A 35 1.211 0.247 -4.641 1.00 1.36 H new ATOM 0 HD12 LEU A 35 1.982 1.848 -4.747 1.00 1.36 H new ATOM 0 HD13 LEU A 35 1.482 1.001 -6.231 1.00 1.36 H new ATOM 0 HD21 LEU A 35 2.464 -1.773 -5.369 1.00 1.93 H new ATOM 0 HD22 LEU A 35 2.799 -1.058 -6.963 1.00 1.93 H new ATOM 0 HD23 LEU A 35 4.142 -1.617 -5.939 1.00 1.93 H new ATOM 498 N ASN A 36 7.695 1.884 -6.240 1.00 0.89 N ATOM 499 CA ASN A 36 8.774 2.406 -7.080 1.00 1.06 C ATOM 500 C ASN A 36 10.032 2.627 -6.259 1.00 1.01 C ATOM 501 O ASN A 36 11.094 2.105 -6.586 1.00 1.13 O ATOM 502 CB ASN A 36 8.361 3.714 -7.767 1.00 1.21 C ATOM 503 CG ASN A 36 9.540 4.452 -8.381 1.00 1.58 C ATOM 504 OD1 ASN A 36 10.178 5.276 -7.723 1.00 2.45 O ATOM 505 ND2 ASN A 36 9.830 4.177 -9.642 1.00 1.81 N ATOM 0 H ASN A 36 7.885 1.937 -5.239 1.00 0.89 H new ATOM 0 HA ASN A 36 8.980 1.664 -7.851 1.00 1.06 H new ATOM 0 HB2 ASN A 36 7.629 3.496 -8.545 1.00 1.21 H new ATOM 0 HB3 ASN A 36 7.870 4.362 -7.041 1.00 1.21 H new ATOM 0 HD21 ASN A 36 10.605 4.654 -10.103 1.00 1.81 H new ATOM 0 HD22 ASN A 36 9.278 3.488 -10.154 1.00 1.81 H new ATOM 512 N SER A 37 9.903 3.389 -5.184 1.00 0.90 N ATOM 513 CA SER A 37 11.045 3.715 -4.347 1.00 0.98 C ATOM 514 C SER A 37 11.414 2.549 -3.429 1.00 0.84 C ATOM 515 O SER A 37 12.395 2.622 -2.692 1.00 0.94 O ATOM 516 CB SER A 37 10.758 4.978 -3.536 1.00 1.05 C ATOM 517 OG SER A 37 10.451 6.064 -4.398 1.00 1.55 O ATOM 0 H SER A 37 9.020 3.792 -4.872 1.00 0.90 H new ATOM 0 HA SER A 37 11.901 3.902 -4.995 1.00 0.98 H new ATOM 0 HB2 SER A 37 9.925 4.799 -2.856 1.00 1.05 H new ATOM 0 HB3 SER A 37 11.623 5.227 -2.922 1.00 1.05 H new ATOM 0 HG SER A 37 10.268 6.865 -3.863 1.00 1.55 H new ATOM 523 N SER A 38 10.621 1.483 -3.471 1.00 0.67 N ATOM 524 CA SER A 38 10.950 0.265 -2.760 1.00 0.58 C ATOM 525 C SER A 38 12.056 -0.462 -3.530 1.00 0.67 C ATOM 526 O SER A 38 11.822 -1.049 -4.591 1.00 1.22 O ATOM 527 CB SER A 38 9.683 -0.583 -2.600 1.00 0.54 C ATOM 528 OG SER A 38 9.101 -0.889 -3.858 1.00 1.43 O ATOM 0 H SER A 38 9.745 1.444 -3.993 1.00 0.67 H new ATOM 0 HA SER A 38 11.323 0.476 -1.758 1.00 0.58 H new ATOM 0 HB2 SER A 38 9.926 -1.507 -2.076 1.00 0.54 H new ATOM 0 HB3 SER A 38 8.961 -0.047 -1.984 1.00 0.54 H new ATOM 0 HG SER A 38 8.153 -1.106 -3.736 1.00 1.43 H new ATOM 534 N ARG A 39 13.274 -0.379 -3.007 1.00 0.87 N ATOM 535 CA ARG A 39 14.467 -0.719 -3.781 1.00 1.08 C ATOM 536 C ARG A 39 14.680 -2.222 -3.906 1.00 0.84 C ATOM 537 O ARG A 39 14.363 -2.825 -4.932 1.00 1.22 O ATOM 538 CB ARG A 39 15.726 -0.084 -3.174 1.00 1.40 C ATOM 539 CG ARG A 39 15.630 1.416 -2.955 1.00 1.90 C ATOM 540 CD ARG A 39 15.240 1.739 -1.526 1.00 2.25 C ATOM 541 NE ARG A 39 16.314 1.434 -0.581 1.00 2.89 N ATOM 542 CZ ARG A 39 16.288 1.753 0.713 1.00 3.60 C ATOM 543 NH1 ARG A 39 15.220 2.339 1.245 1.00 3.87 N ATOM 544 NH2 ARG A 39 17.327 1.467 1.485 1.00 4.47 N ATOM 0 H ARG A 39 13.464 -0.079 -2.051 1.00 0.87 H new ATOM 0 HA ARG A 39 14.296 -0.316 -4.779 1.00 1.08 H new ATOM 0 HB2 ARG A 39 15.936 -0.565 -2.219 1.00 1.40 H new ATOM 0 HB3 ARG A 39 16.573 -0.290 -3.828 1.00 1.40 H new ATOM 0 HG2 ARG A 39 16.588 1.882 -3.187 1.00 1.90 H new ATOM 0 HG3 ARG A 39 14.895 1.840 -3.640 1.00 1.90 H new ATOM 0 HD2 ARG A 39 14.981 2.795 -1.451 1.00 2.25 H new ATOM 0 HD3 ARG A 39 14.349 1.172 -1.257 1.00 2.25 H new ATOM 0 HE ARG A 39 17.136 0.945 -0.935 1.00 2.89 H new ATOM 0 HH11 ARG A 39 14.410 2.549 0.662 1.00 3.87 H new ATOM 0 HH12 ARG A 39 15.211 2.579 2.236 1.00 3.87 H new ATOM 0 HH21 ARG A 39 18.145 1.004 1.089 1.00 4.47 H new ATOM 0 HH22 ARG A 39 17.309 1.710 2.475 1.00 4.47 H new ATOM 558 N THR A 40 15.235 -2.814 -2.865 1.00 0.62 N ATOM 559 CA THR A 40 15.642 -4.205 -2.910 1.00 0.70 C ATOM 560 C THR A 40 14.535 -5.098 -2.387 1.00 0.75 C ATOM 561 O THR A 40 13.490 -4.612 -1.971 1.00 0.61 O ATOM 562 CB THR A 40 16.912 -4.422 -2.071 1.00 0.88 C ATOM 563 OG1 THR A 40 16.644 -4.109 -0.698 1.00 1.59 O ATOM 564 CG2 THR A 40 18.043 -3.543 -2.578 1.00 1.25 C ATOM 0 H THR A 40 15.415 -2.350 -1.974 1.00 0.62 H new ATOM 0 HA THR A 40 15.851 -4.463 -3.948 1.00 0.70 H new ATOM 0 HB THR A 40 17.211 -5.466 -2.158 1.00 0.88 H new ATOM 0 HG1 THR A 40 17.455 -4.250 -0.166 1.00 1.59 H new ATOM 0 HG21 THR A 40 18.933 -3.710 -1.972 1.00 1.25 H new ATOM 0 HG22 THR A 40 18.259 -3.792 -3.617 1.00 1.25 H new ATOM 0 HG23 THR A 40 17.749 -2.496 -2.509 1.00 1.25 H new ATOM 572 N THR A 41 14.762 -6.399 -2.398 1.00 1.03 N ATOM 573 CA THR A 41 13.801 -7.343 -1.859 1.00 1.16 C ATOM 574 C THR A 41 13.619 -7.114 -0.362 1.00 1.04 C ATOM 575 O THR A 41 12.532 -7.291 0.180 1.00 0.97 O ATOM 576 CB THR A 41 14.266 -8.781 -2.099 1.00 1.58 C ATOM 577 OG1 THR A 41 14.614 -8.950 -3.482 1.00 1.79 O ATOM 578 CG2 THR A 41 13.185 -9.782 -1.718 1.00 1.73 C ATOM 0 H THR A 41 15.607 -6.827 -2.776 1.00 1.03 H new ATOM 0 HA THR A 41 12.850 -7.187 -2.368 1.00 1.16 H new ATOM 0 HB THR A 41 15.138 -8.966 -1.471 1.00 1.58 H new ATOM 0 HG1 THR A 41 14.913 -9.871 -3.634 1.00 1.79 H new ATOM 0 HG21 THR A 41 13.546 -10.794 -1.900 1.00 1.73 H new ATOM 0 HG22 THR A 41 12.940 -9.669 -0.662 1.00 1.73 H new ATOM 0 HG23 THR A 41 12.294 -9.601 -2.319 1.00 1.73 H new ATOM 586 N ALA A 42 14.685 -6.679 0.298 1.00 1.12 N ATOM 587 CA ALA A 42 14.629 -6.366 1.720 1.00 1.18 C ATOM 588 C ALA A 42 13.796 -5.111 1.952 1.00 0.98 C ATOM 589 O ALA A 42 13.398 -4.810 3.077 1.00 1.13 O ATOM 590 CB ALA A 42 16.034 -6.186 2.279 1.00 1.41 C ATOM 0 H ALA A 42 15.600 -6.535 -0.129 1.00 1.12 H new ATOM 0 HA ALA A 42 14.155 -7.197 2.242 1.00 1.18 H new ATOM 0 HB1 ALA A 42 15.975 -5.953 3.342 1.00 1.41 H new ATOM 0 HB2 ALA A 42 16.601 -7.106 2.140 1.00 1.41 H new ATOM 0 HB3 ALA A 42 16.532 -5.370 1.755 1.00 1.41 H new ATOM 596 N ASP A 43 13.523 -4.395 0.870 1.00 0.74 N ATOM 597 CA ASP A 43 12.742 -3.164 0.927 1.00 0.67 C ATOM 598 C ASP A 43 11.431 -3.359 0.167 1.00 0.64 C ATOM 599 O ASP A 43 10.654 -2.428 -0.024 1.00 0.93 O ATOM 600 CB ASP A 43 13.560 -2.013 0.315 1.00 0.63 C ATOM 601 CG ASP A 43 13.073 -0.634 0.731 1.00 1.00 C ATOM 602 OD1 ASP A 43 13.322 -0.222 1.883 1.00 1.18 O ATOM 603 OD2 ASP A 43 12.399 0.026 -0.086 1.00 1.72 O ATOM 0 H ASP A 43 13.834 -4.648 -0.068 1.00 0.74 H new ATOM 0 HA ASP A 43 12.510 -2.916 1.963 1.00 0.67 H new ATOM 0 HB2 ASP A 43 14.604 -2.124 0.608 1.00 0.63 H new ATOM 0 HB3 ASP A 43 13.524 -2.090 -0.772 1.00 0.63 H new ATOM 608 N ARG A 44 11.179 -4.601 -0.235 1.00 0.54 N ATOM 609 CA ARG A 44 10.059 -4.918 -1.117 1.00 0.61 C ATOM 610 C ARG A 44 9.250 -6.094 -0.574 1.00 0.67 C ATOM 611 O ARG A 44 8.026 -6.032 -0.492 1.00 0.93 O ATOM 612 CB ARG A 44 10.611 -5.223 -2.514 1.00 0.76 C ATOM 613 CG ARG A 44 9.572 -5.433 -3.604 1.00 1.39 C ATOM 614 CD ARG A 44 10.237 -5.412 -4.975 1.00 1.53 C ATOM 615 NE ARG A 44 9.311 -5.707 -6.063 1.00 1.70 N ATOM 616 CZ ARG A 44 8.763 -4.783 -6.846 1.00 2.01 C ATOM 617 NH1 ARG A 44 8.969 -3.492 -6.610 1.00 2.34 N ATOM 618 NH2 ARG A 44 8.005 -5.158 -7.865 1.00 2.70 N ATOM 0 H ARG A 44 11.739 -5.409 0.038 1.00 0.54 H new ATOM 0 HA ARG A 44 9.382 -4.066 -1.171 1.00 0.61 H new ATOM 0 HB2 ARG A 44 11.264 -4.403 -2.813 1.00 0.76 H new ATOM 0 HB3 ARG A 44 11.231 -6.117 -2.452 1.00 0.76 H new ATOM 0 HG2 ARG A 44 9.063 -6.385 -3.453 1.00 1.39 H new ATOM 0 HG3 ARG A 44 8.813 -4.653 -3.548 1.00 1.39 H new ATOM 0 HD2 ARG A 44 10.683 -4.432 -5.141 1.00 1.53 H new ATOM 0 HD3 ARG A 44 11.049 -6.139 -4.990 1.00 1.53 H new ATOM 0 HE ARG A 44 9.069 -6.683 -6.234 1.00 1.70 H new ATOM 0 HH11 ARG A 44 9.551 -3.204 -5.824 1.00 2.34 H new ATOM 0 HH12 ARG A 44 8.545 -2.789 -7.215 1.00 2.34 H new ATOM 0 HH21 ARG A 44 7.845 -6.149 -8.044 1.00 2.70 H new ATOM 0 HH22 ARG A 44 7.581 -4.455 -8.471 1.00 2.70 H new ATOM 632 N ARG A 45 9.937 -7.154 -0.179 1.00 0.66 N ATOM 633 CA ARG A 45 9.284 -8.334 0.372 1.00 0.72 C ATOM 634 C ARG A 45 9.053 -8.168 1.874 1.00 0.76 C ATOM 635 O ARG A 45 8.292 -8.908 2.488 1.00 1.28 O ATOM 636 CB ARG A 45 10.127 -9.578 0.085 1.00 0.88 C ATOM 637 CG ARG A 45 9.556 -10.864 0.656 1.00 1.16 C ATOM 638 CD ARG A 45 10.375 -12.065 0.237 1.00 1.34 C ATOM 639 NE ARG A 45 10.233 -12.355 -1.189 1.00 1.99 N ATOM 640 CZ ARG A 45 11.196 -12.888 -1.937 1.00 2.61 C ATOM 641 NH1 ARG A 45 12.366 -13.194 -1.393 1.00 2.84 N ATOM 642 NH2 ARG A 45 10.988 -13.128 -3.225 1.00 3.54 N ATOM 0 H ARG A 45 10.953 -7.223 -0.230 1.00 0.66 H new ATOM 0 HA ARG A 45 8.312 -8.455 -0.106 1.00 0.72 H new ATOM 0 HB2 ARG A 45 10.234 -9.689 -0.994 1.00 0.88 H new ATOM 0 HB3 ARG A 45 11.127 -9.427 0.491 1.00 0.88 H new ATOM 0 HG2 ARG A 45 9.530 -10.801 1.744 1.00 1.16 H new ATOM 0 HG3 ARG A 45 8.527 -10.988 0.319 1.00 1.16 H new ATOM 0 HD2 ARG A 45 11.425 -11.886 0.468 1.00 1.34 H new ATOM 0 HD3 ARG A 45 10.065 -12.935 0.816 1.00 1.34 H new ATOM 0 HE ARG A 45 9.343 -12.136 -1.637 1.00 1.99 H new ATOM 0 HH11 ARG A 45 12.528 -13.021 -0.401 1.00 2.84 H new ATOM 0 HH12 ARG A 45 13.104 -13.603 -1.967 1.00 2.84 H new ATOM 0 HH21 ARG A 45 10.087 -12.904 -3.646 1.00 3.54 H new ATOM 0 HH22 ARG A 45 11.729 -13.537 -3.794 1.00 3.54 H new ATOM 656 N ALA A 46 9.705 -7.185 2.463 1.00 0.51 N ATOM 657 CA ALA A 46 9.491 -6.885 3.866 1.00 0.53 C ATOM 658 C ALA A 46 8.320 -5.922 4.025 1.00 0.44 C ATOM 659 O ALA A 46 7.623 -5.931 5.039 1.00 0.53 O ATOM 660 CB ALA A 46 10.752 -6.305 4.485 1.00 0.64 C ATOM 0 H ALA A 46 10.383 -6.583 1.996 1.00 0.51 H new ATOM 0 HA ALA A 46 9.251 -7.811 4.389 1.00 0.53 H new ATOM 0 HB1 ALA A 46 10.573 -6.086 5.538 1.00 0.64 H new ATOM 0 HB2 ALA A 46 11.565 -7.026 4.397 1.00 0.64 H new ATOM 0 HB3 ALA A 46 11.024 -5.387 3.964 1.00 0.64 H new ATOM 666 N VAL A 47 8.095 -5.108 2.996 1.00 0.35 N ATOM 667 CA VAL A 47 7.068 -4.074 3.045 1.00 0.38 C ATOM 668 C VAL A 47 5.685 -4.654 2.751 1.00 0.42 C ATOM 669 O VAL A 47 4.694 -4.212 3.328 1.00 0.50 O ATOM 670 CB VAL A 47 7.400 -2.911 2.075 1.00 0.45 C ATOM 671 CG1 VAL A 47 7.215 -3.309 0.618 1.00 0.50 C ATOM 672 CG2 VAL A 47 6.576 -1.684 2.404 1.00 0.70 C ATOM 0 H VAL A 47 8.612 -5.146 2.117 1.00 0.35 H new ATOM 0 HA VAL A 47 7.052 -3.671 4.058 1.00 0.38 H new ATOM 0 HB VAL A 47 8.454 -2.670 2.212 1.00 0.45 H new ATOM 0 HG11 VAL A 47 7.459 -2.463 -0.024 1.00 0.50 H new ATOM 0 HG12 VAL A 47 7.874 -4.145 0.383 1.00 0.50 H new ATOM 0 HG13 VAL A 47 6.179 -3.605 0.450 1.00 0.50 H new ATOM 0 HG21 VAL A 47 6.826 -0.881 1.710 1.00 0.70 H new ATOM 0 HG22 VAL A 47 5.516 -1.923 2.316 1.00 0.70 H new ATOM 0 HG23 VAL A 47 6.792 -1.363 3.423 1.00 0.70 H new ATOM 682 N CYS A 48 5.622 -5.667 1.890 1.00 0.44 N ATOM 683 CA CYS A 48 4.353 -6.321 1.581 1.00 0.56 C ATOM 684 C CYS A 48 3.823 -7.055 2.806 1.00 0.59 C ATOM 685 O CYS A 48 2.614 -7.150 3.016 1.00 0.68 O ATOM 686 CB CYS A 48 4.515 -7.282 0.397 1.00 0.68 C ATOM 687 SG CYS A 48 5.984 -8.358 0.485 1.00 1.78 S ATOM 0 H CYS A 48 6.428 -6.051 1.397 1.00 0.44 H new ATOM 0 HA CYS A 48 3.629 -5.557 1.299 1.00 0.56 H new ATOM 0 HB2 CYS A 48 3.626 -7.909 0.331 1.00 0.68 H new ATOM 0 HB3 CYS A 48 4.563 -6.699 -0.523 1.00 0.68 H new ATOM 692 N SER A 49 4.746 -7.561 3.615 1.00 0.59 N ATOM 693 CA SER A 49 4.405 -8.194 4.884 1.00 0.73 C ATOM 694 C SER A 49 3.656 -7.219 5.792 1.00 0.73 C ATOM 695 O SER A 49 2.686 -7.592 6.451 1.00 0.96 O ATOM 696 CB SER A 49 5.674 -8.692 5.581 1.00 0.84 C ATOM 697 OG SER A 49 6.431 -9.545 4.736 1.00 1.41 O ATOM 0 H SER A 49 5.746 -7.545 3.412 1.00 0.59 H new ATOM 0 HA SER A 49 3.753 -9.044 4.680 1.00 0.73 H new ATOM 0 HB2 SER A 49 6.284 -7.840 5.880 1.00 0.84 H new ATOM 0 HB3 SER A 49 5.404 -9.227 6.492 1.00 0.84 H new ATOM 0 HG SER A 49 5.933 -9.711 3.908 1.00 1.41 H new ATOM 703 N CYS A 50 4.092 -5.965 5.808 1.00 0.57 N ATOM 704 CA CYS A 50 3.446 -4.957 6.635 1.00 0.60 C ATOM 705 C CYS A 50 2.239 -4.357 5.918 1.00 0.55 C ATOM 706 O CYS A 50 1.287 -3.920 6.561 1.00 0.59 O ATOM 707 CB CYS A 50 4.433 -3.863 7.043 1.00 0.63 C ATOM 708 SG CYS A 50 4.714 -3.766 8.845 1.00 1.11 S ATOM 0 H CYS A 50 4.884 -5.625 5.262 1.00 0.57 H new ATOM 0 HA CYS A 50 3.094 -5.447 7.543 1.00 0.60 H new ATOM 0 HB2 CYS A 50 5.386 -4.041 6.544 1.00 0.63 H new ATOM 0 HB3 CYS A 50 4.063 -2.901 6.689 1.00 0.63 H new ATOM 713 N LEU A 51 2.278 -4.340 4.586 1.00 0.51 N ATOM 714 CA LEU A 51 1.113 -3.958 3.792 1.00 0.55 C ATOM 715 C LEU A 51 -0.046 -4.900 4.118 1.00 0.63 C ATOM 716 O LEU A 51 -1.203 -4.489 4.184 1.00 0.63 O ATOM 717 CB LEU A 51 1.467 -3.999 2.294 1.00 0.66 C ATOM 718 CG LEU A 51 0.433 -3.395 1.332 1.00 0.77 C ATOM 719 CD1 LEU A 51 1.111 -2.974 0.038 1.00 1.33 C ATOM 720 CD2 LEU A 51 -0.681 -4.388 1.028 1.00 1.33 C ATOM 0 H LEU A 51 3.101 -4.586 4.036 1.00 0.51 H new ATOM 0 HA LEU A 51 0.810 -2.940 4.035 1.00 0.55 H new ATOM 0 HB2 LEU A 51 2.413 -3.476 2.152 1.00 0.66 H new ATOM 0 HB3 LEU A 51 1.632 -5.038 2.010 1.00 0.66 H new ATOM 0 HG LEU A 51 -0.007 -2.522 1.814 1.00 0.77 H new ATOM 0 HD11 LEU A 51 0.371 -2.547 -0.638 1.00 1.33 H new ATOM 0 HD12 LEU A 51 1.877 -2.230 0.254 1.00 1.33 H new ATOM 0 HD13 LEU A 51 1.572 -3.843 -0.431 1.00 1.33 H new ATOM 0 HD21 LEU A 51 -1.398 -3.933 0.345 1.00 1.33 H new ATOM 0 HD22 LEU A 51 -0.257 -5.280 0.567 1.00 1.33 H new ATOM 0 HD23 LEU A 51 -1.186 -4.663 1.954 1.00 1.33 H new ATOM 732 N LYS A 52 0.292 -6.168 4.340 1.00 0.80 N ATOM 733 CA LYS A 52 -0.664 -7.177 4.784 1.00 0.99 C ATOM 734 C LYS A 52 -1.388 -6.730 6.056 1.00 0.92 C ATOM 735 O LYS A 52 -2.592 -6.945 6.202 1.00 1.02 O ATOM 736 CB LYS A 52 0.076 -8.502 5.013 1.00 1.32 C ATOM 737 CG LYS A 52 -0.726 -9.568 5.742 1.00 1.40 C ATOM 738 CD LYS A 52 0.081 -10.850 5.900 1.00 1.78 C ATOM 739 CE LYS A 52 1.412 -10.600 6.597 1.00 1.79 C ATOM 740 NZ LYS A 52 1.239 -10.221 8.025 1.00 2.30 N ATOM 0 H LYS A 52 1.240 -6.525 4.216 1.00 0.80 H new ATOM 0 HA LYS A 52 -1.422 -7.314 4.013 1.00 0.99 H new ATOM 0 HB2 LYS A 52 0.386 -8.899 4.047 1.00 1.32 H new ATOM 0 HB3 LYS A 52 0.984 -8.300 5.581 1.00 1.32 H new ATOM 0 HG2 LYS A 52 -1.021 -9.197 6.724 1.00 1.40 H new ATOM 0 HG3 LYS A 52 -1.643 -9.778 5.191 1.00 1.40 H new ATOM 0 HD2 LYS A 52 -0.498 -11.575 6.472 1.00 1.78 H new ATOM 0 HD3 LYS A 52 0.262 -11.289 4.919 1.00 1.78 H new ATOM 0 HE2 LYS A 52 2.027 -11.498 6.534 1.00 1.79 H new ATOM 0 HE3 LYS A 52 1.949 -9.808 6.076 1.00 1.79 H new ATOM 0 HZ1 LYS A 52 2.171 -10.061 8.457 1.00 2.30 H new ATOM 0 HZ2 LYS A 52 0.675 -9.350 8.087 1.00 2.30 H new ATOM 0 HZ3 LYS A 52 0.750 -10.987 8.531 1.00 2.30 H new ATOM 754 N ALA A 53 -0.657 -6.101 6.971 1.00 0.88 N ATOM 755 CA ALA A 53 -1.268 -5.564 8.179 1.00 0.95 C ATOM 756 C ALA A 53 -2.059 -4.313 7.856 1.00 0.91 C ATOM 757 O ALA A 53 -3.181 -4.151 8.317 1.00 1.10 O ATOM 758 CB ALA A 53 -0.233 -5.243 9.242 1.00 1.06 C ATOM 0 H ALA A 53 0.350 -5.952 6.900 1.00 0.88 H new ATOM 0 HA ALA A 53 -1.934 -6.332 8.572 1.00 0.95 H new ATOM 0 HB1 ALA A 53 -0.731 -4.845 10.126 1.00 1.06 H new ATOM 0 HB2 ALA A 53 0.309 -6.151 9.508 1.00 1.06 H new ATOM 0 HB3 ALA A 53 0.467 -4.502 8.856 1.00 1.06 H new ATOM 764 N ALA A 54 -1.463 -3.442 7.051 1.00 0.79 N ATOM 765 CA ALA A 54 -2.067 -2.166 6.693 1.00 0.87 C ATOM 766 C ALA A 54 -3.415 -2.356 6.004 1.00 0.94 C ATOM 767 O ALA A 54 -4.350 -1.583 6.225 1.00 1.16 O ATOM 768 CB ALA A 54 -1.121 -1.371 5.811 1.00 0.89 C ATOM 0 H ALA A 54 -0.548 -3.601 6.629 1.00 0.79 H new ATOM 0 HA ALA A 54 -2.247 -1.609 7.612 1.00 0.87 H new ATOM 0 HB1 ALA A 54 -1.582 -0.419 5.549 1.00 0.89 H new ATOM 0 HB2 ALA A 54 -0.190 -1.188 6.348 1.00 0.89 H new ATOM 0 HB3 ALA A 54 -0.911 -1.935 4.902 1.00 0.89 H new ATOM 774 N ALA A 55 -3.512 -3.396 5.182 1.00 0.88 N ATOM 775 CA ALA A 55 -4.761 -3.737 4.506 1.00 0.97 C ATOM 776 C ALA A 55 -5.865 -4.026 5.519 1.00 0.96 C ATOM 777 O ALA A 55 -7.046 -3.806 5.253 1.00 1.07 O ATOM 778 CB ALA A 55 -4.553 -4.940 3.602 1.00 1.11 C ATOM 0 H ALA A 55 -2.736 -4.021 4.966 1.00 0.88 H new ATOM 0 HA ALA A 55 -5.067 -2.884 3.900 1.00 0.97 H new ATOM 0 HB1 ALA A 55 -5.490 -5.186 3.103 1.00 1.11 H new ATOM 0 HB2 ALA A 55 -3.794 -4.707 2.855 1.00 1.11 H new ATOM 0 HB3 ALA A 55 -4.225 -5.791 4.199 1.00 1.11 H new ATOM 784 N GLY A 56 -5.466 -4.514 6.683 1.00 0.96 N ATOM 785 CA GLY A 56 -6.411 -4.779 7.743 1.00 1.05 C ATOM 786 C GLY A 56 -6.224 -3.832 8.909 1.00 0.99 C ATOM 787 O GLY A 56 -6.669 -4.110 10.021 1.00 1.08 O ATOM 0 H GLY A 56 -4.496 -4.732 6.912 1.00 0.96 H new ATOM 0 HA2 GLY A 56 -7.426 -4.685 7.357 1.00 1.05 H new ATOM 0 HA3 GLY A 56 -6.294 -5.807 8.086 1.00 1.05 H new ATOM 791 N ALA A 57 -5.555 -2.713 8.650 1.00 0.98 N ATOM 792 CA ALA A 57 -5.286 -1.712 9.674 1.00 1.11 C ATOM 793 C ALA A 57 -5.973 -0.398 9.314 1.00 1.10 C ATOM 794 O ALA A 57 -5.617 0.666 9.821 1.00 1.53 O ATOM 795 CB ALA A 57 -3.787 -1.493 9.819 1.00 1.34 C ATOM 0 H ALA A 57 -5.186 -2.476 7.729 1.00 0.98 H new ATOM 0 HA ALA A 57 -5.681 -2.071 10.625 1.00 1.11 H new ATOM 0 HB1 ALA A 57 -3.602 -0.743 10.588 1.00 1.34 H new ATOM 0 HB2 ALA A 57 -3.308 -2.430 10.104 1.00 1.34 H new ATOM 0 HB3 ALA A 57 -3.376 -1.149 8.870 1.00 1.34 H new ATOM 801 N VAL A 58 -6.975 -0.489 8.445 1.00 0.89 N ATOM 802 CA VAL A 58 -7.625 0.693 7.883 1.00 1.10 C ATOM 803 C VAL A 58 -8.505 1.400 8.905 1.00 1.08 C ATOM 804 O VAL A 58 -8.823 2.582 8.760 1.00 1.78 O ATOM 805 CB VAL A 58 -8.460 0.332 6.632 1.00 1.50 C ATOM 806 CG1 VAL A 58 -9.026 1.577 5.964 1.00 1.74 C ATOM 807 CG2 VAL A 58 -7.622 -0.461 5.642 1.00 2.36 C ATOM 0 H VAL A 58 -7.357 -1.374 8.112 1.00 0.89 H new ATOM 0 HA VAL A 58 -6.828 1.377 7.591 1.00 1.10 H new ATOM 0 HB VAL A 58 -9.297 -0.285 6.959 1.00 1.50 H new ATOM 0 HG11 VAL A 58 -9.607 1.288 5.088 1.00 1.74 H new ATOM 0 HG12 VAL A 58 -9.668 2.107 6.667 1.00 1.74 H new ATOM 0 HG13 VAL A 58 -8.208 2.229 5.657 1.00 1.74 H new ATOM 0 HG21 VAL A 58 -8.226 -0.706 4.768 1.00 2.36 H new ATOM 0 HG22 VAL A 58 -6.763 0.134 5.334 1.00 2.36 H new ATOM 0 HG23 VAL A 58 -7.276 -1.381 6.113 1.00 2.36 H new ATOM 817 N ARG A 59 -8.865 0.667 9.945 1.00 0.92 N ATOM 818 CA ARG A 59 -9.732 1.175 11.016 1.00 1.16 C ATOM 819 C ARG A 59 -11.094 1.569 10.451 1.00 1.18 C ATOM 820 O ARG A 59 -11.782 2.449 10.969 1.00 1.83 O ATOM 821 CB ARG A 59 -9.068 2.369 11.707 1.00 1.63 C ATOM 822 CG ARG A 59 -7.758 2.020 12.393 1.00 2.16 C ATOM 823 CD ARG A 59 -7.991 1.384 13.753 1.00 2.64 C ATOM 824 NE ARG A 59 -8.496 2.357 14.722 1.00 3.01 N ATOM 825 CZ ARG A 59 -8.271 2.290 16.033 1.00 3.85 C ATOM 826 NH1 ARG A 59 -7.636 1.251 16.556 1.00 4.30 N ATOM 827 NH2 ARG A 59 -8.706 3.259 16.824 1.00 4.65 N ATOM 0 H ARG A 59 -8.568 -0.300 10.079 1.00 0.92 H new ATOM 0 HA ARG A 59 -9.882 0.387 11.754 1.00 1.16 H new ATOM 0 HB2 ARG A 59 -8.886 3.150 10.969 1.00 1.63 H new ATOM 0 HB3 ARG A 59 -9.757 2.781 12.444 1.00 1.63 H new ATOM 0 HG2 ARG A 59 -7.188 1.336 11.764 1.00 2.16 H new ATOM 0 HG3 ARG A 59 -7.157 2.921 12.510 1.00 2.16 H new ATOM 0 HD2 ARG A 59 -8.702 0.564 13.655 1.00 2.64 H new ATOM 0 HD3 ARG A 59 -7.058 0.955 14.119 1.00 2.64 H new ATOM 0 HE ARG A 59 -9.055 3.135 14.372 1.00 3.01 H new ATOM 0 HH11 ARG A 59 -7.315 0.493 15.953 1.00 4.30 H new ATOM 0 HH12 ARG A 59 -7.468 1.209 17.561 1.00 4.30 H new ATOM 0 HH21 ARG A 59 -9.211 4.052 16.429 1.00 4.65 H new ATOM 0 HH22 ARG A 59 -8.536 3.212 17.829 1.00 4.65 H new ATOM 841 N GLY A 60 -11.477 0.860 9.404 1.00 1.26 N ATOM 842 CA GLY A 60 -12.657 1.186 8.633 1.00 1.50 C ATOM 843 C GLY A 60 -12.489 0.648 7.235 1.00 1.68 C ATOM 844 O GLY A 60 -12.338 1.402 6.276 1.00 2.01 O ATOM 0 H GLY A 60 -10.974 0.039 9.066 1.00 1.26 H new ATOM 0 HA2 GLY A 60 -13.543 0.755 9.099 1.00 1.50 H new ATOM 0 HA3 GLY A 60 -12.804 2.266 8.607 1.00 1.50 H new ATOM 848 N ILE A 61 -12.497 -0.672 7.141 1.00 1.67 N ATOM 849 CA ILE A 61 -12.032 -1.368 5.952 1.00 1.93 C ATOM 850 C ILE A 61 -12.905 -1.092 4.733 1.00 1.67 C ATOM 851 O ILE A 61 -14.093 -1.423 4.711 1.00 2.21 O ATOM 852 CB ILE A 61 -11.968 -2.895 6.184 1.00 2.53 C ATOM 853 CG1 ILE A 61 -11.253 -3.219 7.502 1.00 3.45 C ATOM 854 CG2 ILE A 61 -11.260 -3.575 5.020 1.00 2.78 C ATOM 855 CD1 ILE A 61 -9.806 -2.775 7.543 1.00 3.54 C ATOM 0 H ILE A 61 -12.825 -1.289 7.884 1.00 1.67 H new ATOM 0 HA ILE A 61 -11.032 -0.982 5.754 1.00 1.93 H new ATOM 0 HB ILE A 61 -12.988 -3.273 6.247 1.00 2.53 H new ATOM 0 HG12 ILE A 61 -11.792 -2.744 8.322 1.00 3.45 H new ATOM 0 HG13 ILE A 61 -11.297 -4.295 7.673 1.00 3.45 H new ATOM 0 HG21 ILE A 61 -11.221 -4.650 5.196 1.00 2.78 H new ATOM 0 HG22 ILE A 61 -11.805 -3.377 4.097 1.00 2.78 H new ATOM 0 HG23 ILE A 61 -10.246 -3.185 4.933 1.00 2.78 H new ATOM 0 HD11 ILE A 61 -9.371 -3.040 8.507 1.00 3.54 H new ATOM 0 HD12 ILE A 61 -9.251 -3.270 6.746 1.00 3.54 H new ATOM 0 HD13 ILE A 61 -9.753 -1.695 7.406 1.00 3.54 H new ATOM 867 N ASN A 62 -12.296 -0.488 3.725 1.00 1.52 N ATOM 868 CA ASN A 62 -12.944 -0.288 2.437 1.00 1.54 C ATOM 869 C ASN A 62 -12.091 -0.879 1.324 1.00 1.47 C ATOM 870 O ASN A 62 -11.114 -0.273 0.887 1.00 1.53 O ATOM 871 CB ASN A 62 -13.192 1.197 2.176 1.00 1.94 C ATOM 872 CG ASN A 62 -14.441 1.715 2.859 1.00 2.79 C ATOM 873 OD1 ASN A 62 -15.449 1.013 2.949 1.00 3.22 O ATOM 874 ND2 ASN A 62 -14.378 2.937 3.364 1.00 3.41 N ATOM 0 H ASN A 62 -11.344 -0.124 3.775 1.00 1.52 H new ATOM 0 HA ASN A 62 -13.907 -0.798 2.457 1.00 1.54 H new ATOM 0 HB2 ASN A 62 -12.331 1.770 2.521 1.00 1.94 H new ATOM 0 HB3 ASN A 62 -13.276 1.363 1.102 1.00 1.94 H new ATOM 0 HD21 ASN A 62 -15.184 3.330 3.850 1.00 3.41 H new ATOM 0 HD22 ASN A 62 -13.523 3.485 3.267 1.00 3.41 H new ATOM 881 N PRO A 63 -12.452 -2.083 0.856 1.00 1.67 N ATOM 882 CA PRO A 63 -11.685 -2.812 -0.162 1.00 1.87 C ATOM 883 C PRO A 63 -11.625 -2.065 -1.487 1.00 1.64 C ATOM 884 O PRO A 63 -10.606 -2.089 -2.186 1.00 1.59 O ATOM 885 CB PRO A 63 -12.451 -4.126 -0.342 1.00 2.43 C ATOM 886 CG PRO A 63 -13.366 -4.226 0.831 1.00 2.38 C ATOM 887 CD PRO A 63 -13.645 -2.824 1.283 1.00 2.01 C ATOM 0 HA PRO A 63 -10.649 -2.948 0.148 1.00 1.87 H new ATOM 0 HB2 PRO A 63 -13.012 -4.127 -1.277 1.00 2.43 H new ATOM 0 HB3 PRO A 63 -11.768 -4.975 -0.379 1.00 2.43 H new ATOM 0 HG2 PRO A 63 -14.290 -4.735 0.558 1.00 2.38 H new ATOM 0 HG3 PRO A 63 -12.907 -4.806 1.631 1.00 2.38 H new ATOM 0 HD2 PRO A 63 -14.550 -2.427 0.824 1.00 2.01 H new ATOM 0 HD3 PRO A 63 -13.786 -2.771 2.363 1.00 2.01 H new ATOM 895 N ASN A 64 -12.723 -1.404 -1.831 1.00 1.59 N ATOM 896 CA ASN A 64 -12.793 -0.638 -3.073 1.00 1.51 C ATOM 897 C ASN A 64 -11.760 0.485 -3.062 1.00 1.16 C ATOM 898 O ASN A 64 -11.106 0.754 -4.069 1.00 1.11 O ATOM 899 CB ASN A 64 -14.197 -0.060 -3.272 1.00 1.72 C ATOM 900 CG ASN A 64 -14.411 0.473 -4.677 1.00 2.37 C ATOM 901 OD1 ASN A 64 -14.159 1.642 -4.961 1.00 3.10 O ATOM 902 ND2 ASN A 64 -14.889 -0.386 -5.563 1.00 2.83 N ATOM 0 H ASN A 64 -13.575 -1.381 -1.271 1.00 1.59 H new ATOM 0 HA ASN A 64 -12.574 -1.310 -3.903 1.00 1.51 H new ATOM 0 HB2 ASN A 64 -14.937 -0.832 -3.063 1.00 1.72 H new ATOM 0 HB3 ASN A 64 -14.362 0.743 -2.553 1.00 1.72 H new ATOM 0 HD21 ASN A 64 -15.061 -0.086 -6.523 1.00 2.83 H new ATOM 0 HD22 ASN A 64 -15.085 -1.348 -5.286 1.00 2.83 H new ATOM 909 N ASN A 65 -11.583 1.108 -1.901 1.00 0.99 N ATOM 910 CA ASN A 65 -10.636 2.205 -1.766 1.00 0.74 C ATOM 911 C ASN A 65 -9.214 1.672 -1.682 1.00 0.69 C ATOM 912 O ASN A 65 -8.263 2.357 -2.045 1.00 0.60 O ATOM 913 CB ASN A 65 -10.952 3.059 -0.538 1.00 0.74 C ATOM 914 CG ASN A 65 -12.338 3.673 -0.592 1.00 0.95 C ATOM 915 OD1 ASN A 65 -12.891 3.896 -1.667 1.00 1.34 O ATOM 916 ND2 ASN A 65 -12.900 3.971 0.567 1.00 1.13 N ATOM 0 H ASN A 65 -12.082 0.871 -1.044 1.00 0.99 H new ATOM 0 HA ASN A 65 -10.726 2.835 -2.651 1.00 0.74 H new ATOM 0 HB2 ASN A 65 -10.866 2.445 0.358 1.00 0.74 H new ATOM 0 HB3 ASN A 65 -10.210 3.853 -0.452 1.00 0.74 H new ATOM 0 HD21 ASN A 65 -13.824 4.401 0.590 1.00 1.13 H new ATOM 0 HD22 ASN A 65 -12.409 3.770 1.438 1.00 1.13 H new ATOM 923 N ALA A 66 -9.078 0.437 -1.211 1.00 0.93 N ATOM 924 CA ALA A 66 -7.777 -0.213 -1.130 1.00 1.07 C ATOM 925 C ALA A 66 -7.221 -0.487 -2.524 1.00 1.02 C ATOM 926 O ALA A 66 -6.011 -0.530 -2.725 1.00 1.05 O ATOM 927 CB ALA A 66 -7.876 -1.505 -0.334 1.00 1.43 C ATOM 0 H ALA A 66 -9.855 -0.134 -0.879 1.00 0.93 H new ATOM 0 HA ALA A 66 -7.091 0.460 -0.615 1.00 1.07 H new ATOM 0 HB1 ALA A 66 -6.895 -1.977 -0.284 1.00 1.43 H new ATOM 0 HB2 ALA A 66 -8.225 -1.285 0.675 1.00 1.43 H new ATOM 0 HB3 ALA A 66 -8.579 -2.180 -0.822 1.00 1.43 H new ATOM 933 N GLU A 67 -8.118 -0.667 -3.484 1.00 1.07 N ATOM 934 CA GLU A 67 -7.722 -0.881 -4.870 1.00 1.12 C ATOM 935 C GLU A 67 -7.530 0.462 -5.572 1.00 0.94 C ATOM 936 O GLU A 67 -6.801 0.569 -6.559 1.00 1.00 O ATOM 937 CB GLU A 67 -8.776 -1.720 -5.593 1.00 1.50 C ATOM 938 CG GLU A 67 -8.399 -2.092 -7.017 1.00 1.80 C ATOM 939 CD GLU A 67 -9.443 -2.962 -7.680 1.00 2.05 C ATOM 940 OE1 GLU A 67 -10.459 -2.416 -8.156 1.00 2.41 O ATOM 941 OE2 GLU A 67 -9.262 -4.195 -7.716 1.00 2.41 O ATOM 0 H GLU A 67 -9.126 -0.669 -3.329 1.00 1.07 H new ATOM 0 HA GLU A 67 -6.776 -1.422 -4.891 1.00 1.12 H new ATOM 0 HB2 GLU A 67 -8.952 -2.633 -5.024 1.00 1.50 H new ATOM 0 HB3 GLU A 67 -9.716 -1.169 -5.609 1.00 1.50 H new ATOM 0 HG2 GLU A 67 -8.262 -1.183 -7.603 1.00 1.80 H new ATOM 0 HG3 GLU A 67 -7.443 -2.616 -7.012 1.00 1.80 H new ATOM 948 N ALA A 68 -8.184 1.489 -5.043 1.00 0.86 N ATOM 949 CA ALA A 68 -8.040 2.845 -5.559 1.00 0.92 C ATOM 950 C ALA A 68 -6.709 3.447 -5.117 1.00 0.89 C ATOM 951 O ALA A 68 -6.197 4.380 -5.741 1.00 1.14 O ATOM 952 CB ALA A 68 -9.201 3.709 -5.086 1.00 1.00 C ATOM 0 H ALA A 68 -8.823 1.408 -4.252 1.00 0.86 H new ATOM 0 HA ALA A 68 -8.052 2.809 -6.648 1.00 0.92 H new ATOM 0 HB1 ALA A 68 -9.085 4.720 -5.476 1.00 1.00 H new ATOM 0 HB2 ALA A 68 -10.139 3.287 -5.446 1.00 1.00 H new ATOM 0 HB3 ALA A 68 -9.211 3.740 -3.996 1.00 1.00 H new ATOM 958 N LEU A 69 -6.161 2.887 -4.042 1.00 0.79 N ATOM 959 CA LEU A 69 -4.887 3.328 -3.477 1.00 1.01 C ATOM 960 C LEU A 69 -3.762 3.314 -4.530 1.00 1.08 C ATOM 961 O LEU A 69 -3.186 4.358 -4.831 1.00 1.37 O ATOM 962 CB LEU A 69 -4.524 2.449 -2.271 1.00 1.16 C ATOM 963 CG LEU A 69 -3.210 2.789 -1.570 1.00 1.47 C ATOM 964 CD1 LEU A 69 -3.336 4.102 -0.816 1.00 2.29 C ATOM 965 CD2 LEU A 69 -2.808 1.666 -0.628 1.00 1.96 C ATOM 0 H LEU A 69 -6.589 2.112 -3.536 1.00 0.79 H new ATOM 0 HA LEU A 69 -4.998 4.360 -3.144 1.00 1.01 H new ATOM 0 HB2 LEU A 69 -5.331 2.516 -1.541 1.00 1.16 H new ATOM 0 HB3 LEU A 69 -4.479 1.412 -2.602 1.00 1.16 H new ATOM 0 HG LEU A 69 -2.431 2.901 -2.324 1.00 1.47 H new ATOM 0 HD11 LEU A 69 -2.391 4.330 -0.322 1.00 2.29 H new ATOM 0 HD12 LEU A 69 -3.582 4.901 -1.515 1.00 2.29 H new ATOM 0 HD13 LEU A 69 -4.125 4.018 -0.069 1.00 2.29 H new ATOM 0 HD21 LEU A 69 -1.870 1.922 -0.136 1.00 1.96 H new ATOM 0 HD22 LEU A 69 -3.585 1.525 0.123 1.00 1.96 H new ATOM 0 HD23 LEU A 69 -2.680 0.744 -1.195 1.00 1.96 H new ATOM 977 N PRO A 70 -3.444 2.145 -5.137 1.00 0.88 N ATOM 978 CA PRO A 70 -2.395 2.064 -6.156 1.00 0.91 C ATOM 979 C PRO A 70 -2.870 2.568 -7.516 1.00 1.02 C ATOM 980 O PRO A 70 -2.138 2.508 -8.507 1.00 1.20 O ATOM 981 CB PRO A 70 -2.077 0.573 -6.221 1.00 0.77 C ATOM 982 CG PRO A 70 -3.334 -0.113 -5.808 1.00 0.78 C ATOM 983 CD PRO A 70 -4.056 0.825 -4.878 1.00 0.78 C ATOM 0 HA PRO A 70 -1.535 2.685 -5.906 1.00 0.91 H new ATOM 0 HB2 PRO A 70 -1.779 0.277 -7.227 1.00 0.77 H new ATOM 0 HB3 PRO A 70 -1.252 0.317 -5.556 1.00 0.77 H new ATOM 0 HG2 PRO A 70 -3.950 -0.347 -6.676 1.00 0.78 H new ATOM 0 HG3 PRO A 70 -3.113 -1.057 -5.310 1.00 0.78 H new ATOM 0 HD2 PRO A 70 -5.127 0.838 -5.079 1.00 0.78 H new ATOM 0 HD3 PRO A 70 -3.931 0.527 -3.837 1.00 0.78 H new ATOM 991 N GLY A 71 -4.091 3.072 -7.554 1.00 1.06 N ATOM 992 CA GLY A 71 -4.662 3.528 -8.797 1.00 1.36 C ATOM 993 C GLY A 71 -4.372 4.986 -9.084 1.00 1.09 C ATOM 994 O GLY A 71 -3.797 5.315 -10.120 1.00 1.18 O ATOM 0 H GLY A 71 -4.698 3.173 -6.741 1.00 1.06 H new ATOM 0 HA2 GLY A 71 -4.274 2.919 -9.613 1.00 1.36 H new ATOM 0 HA3 GLY A 71 -5.741 3.376 -8.771 1.00 1.36 H new ATOM 998 N LYS A 72 -4.731 5.860 -8.155 1.00 0.90 N ATOM 999 CA LYS A 72 -4.672 7.297 -8.405 1.00 0.78 C ATOM 1000 C LYS A 72 -3.271 7.885 -8.216 1.00 0.73 C ATOM 1001 O LYS A 72 -3.114 9.103 -8.140 1.00 0.99 O ATOM 1002 CB LYS A 72 -5.695 8.047 -7.546 1.00 0.76 C ATOM 1003 CG LYS A 72 -7.056 8.176 -8.215 1.00 1.18 C ATOM 1004 CD LYS A 72 -7.823 6.865 -8.179 1.00 1.40 C ATOM 1005 CE LYS A 72 -8.806 6.840 -7.023 1.00 2.07 C ATOM 1006 NZ LYS A 72 -10.026 7.639 -7.321 1.00 2.61 N ATOM 0 H LYS A 72 -5.065 5.604 -7.226 1.00 0.90 H new ATOM 0 HA LYS A 72 -4.926 7.433 -9.456 1.00 0.78 H new ATOM 0 HB2 LYS A 72 -5.812 7.528 -6.595 1.00 0.76 H new ATOM 0 HB3 LYS A 72 -5.312 9.042 -7.321 1.00 0.76 H new ATOM 0 HG2 LYS A 72 -7.636 8.951 -7.715 1.00 1.18 H new ATOM 0 HG3 LYS A 72 -6.925 8.493 -9.250 1.00 1.18 H new ATOM 0 HD2 LYS A 72 -8.358 6.727 -9.119 1.00 1.40 H new ATOM 0 HD3 LYS A 72 -7.124 6.034 -8.085 1.00 1.40 H new ATOM 0 HE2 LYS A 72 -9.089 5.810 -6.808 1.00 2.07 H new ATOM 0 HE3 LYS A 72 -8.324 7.232 -6.127 1.00 2.07 H new ATOM 0 HZ1 LYS A 72 -10.674 7.599 -6.509 1.00 2.61 H new ATOM 0 HZ2 LYS A 72 -9.758 8.628 -7.501 1.00 2.61 H new ATOM 0 HZ3 LYS A 72 -10.499 7.250 -8.161 1.00 2.61 H new ATOM 1020 N CYS A 73 -2.255 7.035 -8.152 1.00 0.63 N ATOM 1021 CA CYS A 73 -0.880 7.514 -8.253 1.00 0.63 C ATOM 1022 C CYS A 73 -0.267 7.032 -9.567 1.00 0.62 C ATOM 1023 O CYS A 73 0.887 7.328 -9.881 1.00 0.77 O ATOM 1024 CB CYS A 73 -0.010 7.053 -7.075 1.00 0.72 C ATOM 1025 SG CYS A 73 1.634 7.823 -7.047 1.00 1.65 S ATOM 0 H CYS A 73 -2.352 6.027 -8.033 1.00 0.63 H new ATOM 0 HA CYS A 73 -0.910 8.603 -8.226 1.00 0.63 H new ATOM 0 HB2 CYS A 73 -0.525 7.280 -6.142 1.00 0.72 H new ATOM 0 HB3 CYS A 73 0.105 5.970 -7.120 1.00 0.72 H new ATOM 1030 N GLY A 74 -1.060 6.290 -10.339 1.00 0.61 N ATOM 1031 CA GLY A 74 -0.590 5.755 -11.601 1.00 0.67 C ATOM 1032 C GLY A 74 0.528 4.746 -11.419 1.00 0.66 C ATOM 1033 O GLY A 74 1.606 4.892 -11.994 1.00 0.96 O ATOM 0 H GLY A 74 -2.024 6.051 -10.108 1.00 0.61 H new ATOM 0 HA2 GLY A 74 -1.421 5.282 -12.125 1.00 0.67 H new ATOM 0 HA3 GLY A 74 -0.240 6.572 -12.231 1.00 0.67 H new ATOM 1037 N VAL A 75 0.278 3.724 -10.611 1.00 0.55 N ATOM 1038 CA VAL A 75 1.278 2.691 -10.368 1.00 0.61 C ATOM 1039 C VAL A 75 0.753 1.305 -10.717 1.00 0.80 C ATOM 1040 O VAL A 75 1.335 0.618 -11.559 1.00 1.70 O ATOM 1041 CB VAL A 75 1.791 2.690 -8.908 1.00 0.63 C ATOM 1042 CG1 VAL A 75 3.096 3.460 -8.802 1.00 1.09 C ATOM 1043 CG2 VAL A 75 0.762 3.278 -7.954 1.00 0.51 C ATOM 0 H VAL A 75 -0.603 3.588 -10.115 1.00 0.55 H new ATOM 0 HA VAL A 75 2.115 2.933 -11.023 1.00 0.61 H new ATOM 0 HB VAL A 75 1.964 1.652 -8.622 1.00 0.63 H new ATOM 0 HG11 VAL A 75 3.442 3.449 -7.768 1.00 1.09 H new ATOM 0 HG12 VAL A 75 3.846 2.994 -9.441 1.00 1.09 H new ATOM 0 HG13 VAL A 75 2.937 4.490 -9.120 1.00 1.09 H new ATOM 0 HG21 VAL A 75 1.156 3.261 -6.938 1.00 0.51 H new ATOM 0 HG22 VAL A 75 0.545 4.307 -8.242 1.00 0.51 H new ATOM 0 HG23 VAL A 75 -0.154 2.688 -7.998 1.00 0.51 H new ATOM 1053 N ASN A 76 -0.361 0.923 -10.094 1.00 0.78 N ATOM 1054 CA ASN A 76 -0.922 -0.426 -10.228 1.00 0.90 C ATOM 1055 C ASN A 76 0.028 -1.459 -9.632 1.00 0.81 C ATOM 1056 O ASN A 76 1.109 -1.718 -10.162 1.00 0.99 O ATOM 1057 CB ASN A 76 -1.248 -0.770 -11.688 1.00 1.23 C ATOM 1058 CG ASN A 76 -2.511 -0.093 -12.186 1.00 1.70 C ATOM 1059 OD1 ASN A 76 -2.885 0.986 -11.724 1.00 2.27 O ATOM 1060 ND2 ASN A 76 -3.180 -0.722 -13.143 1.00 2.31 N ATOM 0 H ASN A 76 -0.901 1.536 -9.483 1.00 0.78 H new ATOM 0 HA ASN A 76 -1.860 -0.447 -9.673 1.00 0.90 H new ATOM 0 HB2 ASN A 76 -0.411 -0.476 -12.321 1.00 1.23 H new ATOM 0 HB3 ASN A 76 -1.358 -1.850 -11.786 1.00 1.23 H new ATOM 0 HD21 ASN A 76 -4.035 -0.313 -13.521 1.00 2.31 H new ATOM 0 HD22 ASN A 76 -2.840 -1.614 -13.501 1.00 2.31 H new ATOM 1067 N ILE A 77 -0.393 -2.056 -8.532 1.00 0.78 N ATOM 1068 CA ILE A 77 0.468 -2.935 -7.756 1.00 0.91 C ATOM 1069 C ILE A 77 0.546 -4.336 -8.376 1.00 0.85 C ATOM 1070 O ILE A 77 -0.470 -4.912 -8.774 1.00 0.82 O ATOM 1071 CB ILE A 77 -0.010 -2.990 -6.282 1.00 1.19 C ATOM 1072 CG1 ILE A 77 0.913 -3.857 -5.425 1.00 1.12 C ATOM 1073 CG2 ILE A 77 -1.446 -3.489 -6.191 1.00 1.83 C ATOM 1074 CD1 ILE A 77 0.742 -3.618 -3.940 1.00 1.17 C ATOM 0 H ILE A 77 -1.333 -1.948 -8.152 1.00 0.78 H new ATOM 0 HA ILE A 77 1.478 -2.525 -7.771 1.00 0.91 H new ATOM 0 HB ILE A 77 0.027 -1.973 -5.891 1.00 1.19 H new ATOM 0 HG12 ILE A 77 0.720 -4.908 -5.642 1.00 1.12 H new ATOM 0 HG13 ILE A 77 1.948 -3.659 -5.702 1.00 1.12 H new ATOM 0 HG21 ILE A 77 -1.756 -3.518 -5.146 1.00 1.83 H new ATOM 0 HG22 ILE A 77 -2.101 -2.816 -6.745 1.00 1.83 H new ATOM 0 HG23 ILE A 77 -1.511 -4.491 -6.616 1.00 1.83 H new ATOM 0 HD11 ILE A 77 1.425 -4.263 -3.387 1.00 1.17 H new ATOM 0 HD12 ILE A 77 0.963 -2.575 -3.712 1.00 1.17 H new ATOM 0 HD13 ILE A 77 -0.285 -3.843 -3.651 1.00 1.17 H new ATOM 1086 N PRO A 78 1.772 -4.876 -8.518 1.00 0.96 N ATOM 1087 CA PRO A 78 2.003 -6.194 -9.126 1.00 1.03 C ATOM 1088 C PRO A 78 1.432 -7.333 -8.290 1.00 0.91 C ATOM 1089 O PRO A 78 0.972 -8.345 -8.824 1.00 1.28 O ATOM 1090 CB PRO A 78 3.534 -6.303 -9.204 1.00 1.24 C ATOM 1091 CG PRO A 78 4.038 -4.914 -9.007 1.00 1.35 C ATOM 1092 CD PRO A 78 3.034 -4.239 -8.121 1.00 1.15 C ATOM 0 HA PRO A 78 1.510 -6.277 -10.094 1.00 1.03 H new ATOM 0 HB2 PRO A 78 3.920 -6.974 -8.437 1.00 1.24 H new ATOM 0 HB3 PRO A 78 3.851 -6.704 -10.167 1.00 1.24 H new ATOM 0 HG2 PRO A 78 5.026 -4.918 -8.547 1.00 1.35 H new ATOM 0 HG3 PRO A 78 4.132 -4.393 -9.960 1.00 1.35 H new ATOM 0 HD2 PRO A 78 3.254 -4.399 -7.065 1.00 1.15 H new ATOM 0 HD3 PRO A 78 3.012 -3.161 -8.282 1.00 1.15 H new ATOM 1100 N TYR A 79 1.469 -7.170 -6.979 1.00 0.89 N ATOM 1101 CA TYR A 79 0.917 -8.164 -6.076 1.00 0.80 C ATOM 1102 C TYR A 79 -0.380 -7.651 -5.468 1.00 0.85 C ATOM 1103 O TYR A 79 -0.871 -6.594 -5.856 1.00 1.07 O ATOM 1104 CB TYR A 79 1.933 -8.551 -4.991 1.00 0.91 C ATOM 1105 CG TYR A 79 2.591 -7.387 -4.274 1.00 0.81 C ATOM 1106 CD1 TYR A 79 3.666 -6.716 -4.837 1.00 0.84 C ATOM 1107 CD2 TYR A 79 2.120 -6.949 -3.038 1.00 0.99 C ATOM 1108 CE1 TYR A 79 4.255 -5.643 -4.197 1.00 0.99 C ATOM 1109 CE2 TYR A 79 2.703 -5.876 -2.393 1.00 1.13 C ATOM 1110 CZ TYR A 79 3.823 -5.278 -2.941 1.00 1.10 C ATOM 1111 OH TYR A 79 4.355 -4.160 -2.332 1.00 1.38 O ATOM 0 H TYR A 79 1.876 -6.358 -6.516 1.00 0.89 H new ATOM 0 HA TYR A 79 0.695 -9.067 -6.644 1.00 0.80 H new ATOM 0 HB2 TYR A 79 1.430 -9.174 -4.252 1.00 0.91 H new ATOM 0 HB3 TYR A 79 2.712 -9.162 -5.447 1.00 0.91 H new ATOM 0 HD1 TYR A 79 4.050 -7.038 -5.794 1.00 0.84 H new ATOM 0 HD2 TYR A 79 1.286 -7.457 -2.577 1.00 0.99 H new ATOM 0 HE1 TYR A 79 5.050 -5.093 -4.679 1.00 0.99 H new ATOM 0 HE2 TYR A 79 2.287 -5.507 -1.467 1.00 1.13 H new ATOM 0 HH TYR A 79 3.943 -4.040 -1.451 1.00 1.38 H new ATOM 1121 N LYS A 80 -0.945 -8.400 -4.534 1.00 0.87 N ATOM 1122 CA LYS A 80 -2.236 -8.036 -3.969 1.00 1.11 C ATOM 1123 C LYS A 80 -2.092 -6.993 -2.872 1.00 1.06 C ATOM 1124 O LYS A 80 -1.010 -6.790 -2.316 1.00 1.49 O ATOM 1125 CB LYS A 80 -2.967 -9.253 -3.397 1.00 1.41 C ATOM 1126 CG LYS A 80 -3.206 -10.370 -4.396 1.00 2.02 C ATOM 1127 CD LYS A 80 -2.087 -11.393 -4.366 1.00 2.55 C ATOM 1128 CE LYS A 80 -2.403 -12.580 -5.258 1.00 3.04 C ATOM 1129 NZ LYS A 80 -3.715 -13.194 -4.921 1.00 3.48 N ATOM 0 H LYS A 80 -0.536 -9.254 -4.154 1.00 0.87 H new ATOM 0 HA LYS A 80 -2.821 -7.619 -4.789 1.00 1.11 H new ATOM 0 HB2 LYS A 80 -2.390 -9.648 -2.561 1.00 1.41 H new ATOM 0 HB3 LYS A 80 -3.928 -8.929 -2.997 1.00 1.41 H new ATOM 0 HG2 LYS A 80 -4.154 -10.860 -4.175 1.00 2.02 H new ATOM 0 HG3 LYS A 80 -3.290 -9.951 -5.399 1.00 2.02 H new ATOM 0 HD2 LYS A 80 -1.157 -10.928 -4.692 1.00 2.55 H new ATOM 0 HD3 LYS A 80 -1.931 -11.735 -3.343 1.00 2.55 H new ATOM 0 HE2 LYS A 80 -2.409 -12.260 -6.300 1.00 3.04 H new ATOM 0 HE3 LYS A 80 -1.616 -13.328 -5.159 1.00 3.04 H new ATOM 0 HZ1 LYS A 80 -3.652 -14.227 -5.026 1.00 3.48 H new ATOM 0 HZ2 LYS A 80 -3.966 -12.960 -3.939 1.00 3.48 H new ATOM 0 HZ3 LYS A 80 -4.446 -12.825 -5.562 1.00 3.48 H new ATOM 1143 N ILE A 81 -3.201 -6.339 -2.573 1.00 1.13 N ATOM 1144 CA ILE A 81 -3.279 -5.410 -1.457 1.00 1.19 C ATOM 1145 C ILE A 81 -4.092 -6.025 -0.323 1.00 1.22 C ATOM 1146 O ILE A 81 -4.727 -5.322 0.461 1.00 1.37 O ATOM 1147 CB ILE A 81 -3.896 -4.051 -1.885 1.00 1.52 C ATOM 1148 CG1 ILE A 81 -5.019 -4.234 -2.921 1.00 2.09 C ATOM 1149 CG2 ILE A 81 -2.816 -3.132 -2.434 1.00 1.88 C ATOM 1150 CD1 ILE A 81 -6.300 -4.827 -2.366 1.00 2.55 C ATOM 0 H ILE A 81 -4.072 -6.436 -3.095 1.00 1.13 H new ATOM 0 HA ILE A 81 -2.264 -5.217 -1.110 1.00 1.19 H new ATOM 0 HB ILE A 81 -4.337 -3.595 -0.999 1.00 1.52 H new ATOM 0 HG12 ILE A 81 -5.246 -3.265 -3.366 1.00 2.09 H new ATOM 0 HG13 ILE A 81 -4.655 -4.876 -3.723 1.00 2.09 H new ATOM 0 HG21 ILE A 81 -3.262 -2.183 -2.730 1.00 1.88 H new ATOM 0 HG22 ILE A 81 -2.064 -2.955 -1.665 1.00 1.88 H new ATOM 0 HG23 ILE A 81 -2.347 -3.599 -3.300 1.00 1.88 H new ATOM 0 HD11 ILE A 81 -7.035 -4.920 -3.166 1.00 2.55 H new ATOM 0 HD12 ILE A 81 -6.093 -5.812 -1.947 1.00 2.55 H new ATOM 0 HD13 ILE A 81 -6.694 -4.176 -1.585 1.00 2.55 H new ATOM 1162 N SER A 82 -4.052 -7.349 -0.240 1.00 1.31 N ATOM 1163 CA SER A 82 -4.848 -8.080 0.733 1.00 1.50 C ATOM 1164 C SER A 82 -3.951 -8.705 1.804 1.00 1.47 C ATOM 1165 O SER A 82 -2.729 -8.524 1.797 1.00 1.81 O ATOM 1166 CB SER A 82 -5.670 -9.165 0.017 1.00 1.79 C ATOM 1167 OG SER A 82 -6.519 -9.862 0.916 1.00 2.45 O ATOM 0 H SER A 82 -3.474 -7.939 -0.838 1.00 1.31 H new ATOM 0 HA SER A 82 -5.528 -7.386 1.227 1.00 1.50 H new ATOM 0 HB2 SER A 82 -6.271 -8.707 -0.769 1.00 1.79 H new ATOM 0 HB3 SER A 82 -4.996 -9.871 -0.468 1.00 1.79 H new ATOM 0 HG SER A 82 -7.027 -10.542 0.426 1.00 2.45 H new ATOM 1173 N THR A 83 -4.564 -9.441 2.714 1.00 1.47 N ATOM 1174 CA THR A 83 -3.849 -10.110 3.784 1.00 1.50 C ATOM 1175 C THR A 83 -3.268 -11.439 3.304 1.00 1.59 C ATOM 1176 O THR A 83 -2.256 -11.911 3.817 1.00 1.72 O ATOM 1177 CB THR A 83 -4.787 -10.356 4.979 1.00 1.65 C ATOM 1178 OG1 THR A 83 -6.000 -10.976 4.528 1.00 2.04 O ATOM 1179 CG2 THR A 83 -5.120 -9.049 5.686 1.00 1.68 C ATOM 0 H THR A 83 -5.573 -9.591 2.731 1.00 1.47 H new ATOM 0 HA THR A 83 -3.029 -9.464 4.097 1.00 1.50 H new ATOM 0 HB THR A 83 -4.277 -11.014 5.682 1.00 1.65 H new ATOM 0 HG1 THR A 83 -6.592 -11.132 5.293 1.00 2.04 H new ATOM 0 HG21 THR A 83 -5.784 -9.249 6.527 1.00 1.68 H new ATOM 0 HG22 THR A 83 -4.202 -8.588 6.050 1.00 1.68 H new ATOM 0 HG23 THR A 83 -5.613 -8.373 4.987 1.00 1.68 H new ATOM 1187 N SER A 84 -3.901 -12.017 2.293 1.00 1.68 N ATOM 1188 CA SER A 84 -3.487 -13.308 1.761 1.00 1.82 C ATOM 1189 C SER A 84 -2.520 -13.132 0.588 1.00 1.55 C ATOM 1190 O SER A 84 -2.364 -14.029 -0.243 1.00 1.77 O ATOM 1191 CB SER A 84 -4.721 -14.089 1.315 1.00 2.22 C ATOM 1192 OG SER A 84 -5.661 -14.199 2.377 1.00 2.76 O ATOM 0 H SER A 84 -4.709 -11.609 1.822 1.00 1.68 H new ATOM 0 HA SER A 84 -2.967 -13.861 2.543 1.00 1.82 H new ATOM 0 HB2 SER A 84 -5.184 -13.590 0.464 1.00 2.22 H new ATOM 0 HB3 SER A 84 -4.426 -15.083 0.980 1.00 2.22 H new ATOM 0 HG SER A 84 -6.444 -14.701 2.070 1.00 2.76 H new ATOM 1198 N THR A 85 -1.857 -11.984 0.547 1.00 1.28 N ATOM 1199 CA THR A 85 -0.936 -11.660 -0.534 1.00 1.11 C ATOM 1200 C THR A 85 0.286 -12.584 -0.530 1.00 0.96 C ATOM 1201 O THR A 85 0.771 -12.994 0.526 1.00 1.52 O ATOM 1202 CB THR A 85 -0.487 -10.189 -0.427 1.00 1.30 C ATOM 1203 OG1 THR A 85 -1.637 -9.339 -0.455 1.00 2.05 O ATOM 1204 CG2 THR A 85 0.451 -9.799 -1.562 1.00 0.91 C ATOM 0 H THR A 85 -1.941 -11.256 1.256 1.00 1.28 H new ATOM 0 HA THR A 85 -1.464 -11.809 -1.476 1.00 1.11 H new ATOM 0 HB THR A 85 0.053 -10.072 0.513 1.00 1.30 H new ATOM 0 HG1 THR A 85 -1.914 -9.133 0.462 1.00 2.05 H new ATOM 0 HG21 THR A 85 0.744 -8.755 -1.450 1.00 0.91 H new ATOM 0 HG22 THR A 85 1.339 -10.430 -1.533 1.00 0.91 H new ATOM 0 HG23 THR A 85 -0.058 -9.932 -2.517 1.00 0.91 H new ATOM 1212 N ASN A 86 0.775 -12.898 -1.725 1.00 1.23 N ATOM 1213 CA ASN A 86 1.941 -13.767 -1.913 1.00 1.36 C ATOM 1214 C ASN A 86 3.245 -13.019 -1.619 1.00 1.10 C ATOM 1215 O ASN A 86 4.235 -13.182 -2.333 1.00 1.53 O ATOM 1216 CB ASN A 86 1.971 -14.293 -3.358 1.00 1.81 C ATOM 1217 CG ASN A 86 2.035 -13.175 -4.398 1.00 2.40 C ATOM 1218 OD1 ASN A 86 1.482 -12.090 -4.201 1.00 3.05 O ATOM 1219 ND2 ASN A 86 2.712 -13.427 -5.510 1.00 2.73 N ATOM 0 H ASN A 86 0.374 -12.557 -2.599 1.00 1.23 H new ATOM 0 HA ASN A 86 1.856 -14.600 -1.215 1.00 1.36 H new ATOM 0 HB2 ASN A 86 2.833 -14.948 -3.483 1.00 1.81 H new ATOM 0 HB3 ASN A 86 1.082 -14.898 -3.537 1.00 1.81 H new ATOM 0 HD21 ASN A 86 2.787 -12.713 -6.234 1.00 2.73 H new ATOM 0 HD22 ASN A 86 3.158 -14.335 -5.641 1.00 2.73 H new ATOM 1226 N CYS A 87 3.246 -12.242 -0.542 1.00 0.87 N ATOM 1227 CA CYS A 87 4.362 -11.363 -0.199 1.00 0.72 C ATOM 1228 C CYS A 87 5.693 -12.110 -0.098 1.00 0.83 C ATOM 1229 O CYS A 87 6.727 -11.600 -0.529 1.00 1.10 O ATOM 1230 CB CYS A 87 4.067 -10.639 1.115 1.00 0.90 C ATOM 1231 SG CYS A 87 5.503 -9.795 1.838 1.00 1.71 S ATOM 0 H CYS A 87 2.472 -12.202 0.121 1.00 0.87 H new ATOM 0 HA CYS A 87 4.463 -10.640 -1.009 1.00 0.72 H new ATOM 0 HB2 CYS A 87 3.277 -9.907 0.944 1.00 0.90 H new ATOM 0 HB3 CYS A 87 3.683 -11.360 1.836 1.00 0.90 H new ATOM 1236 N ASN A 88 5.668 -13.326 0.437 1.00 0.91 N ATOM 1237 CA ASN A 88 6.895 -14.091 0.650 1.00 1.09 C ATOM 1238 C ASN A 88 7.470 -14.587 -0.680 1.00 1.10 C ATOM 1239 O ASN A 88 8.539 -15.192 -0.726 1.00 1.24 O ATOM 1240 CB ASN A 88 6.632 -15.265 1.605 1.00 1.38 C ATOM 1241 CG ASN A 88 7.891 -16.041 1.964 1.00 2.04 C ATOM 1242 OD1 ASN A 88 8.228 -17.036 1.320 1.00 2.76 O ATOM 1243 ND2 ASN A 88 8.598 -15.589 2.990 1.00 2.55 N ATOM 0 H ASN A 88 4.816 -13.803 0.731 1.00 0.91 H new ATOM 0 HA ASN A 88 7.635 -13.434 1.107 1.00 1.09 H new ATOM 0 HB2 ASN A 88 6.174 -14.886 2.519 1.00 1.38 H new ATOM 0 HB3 ASN A 88 5.913 -15.944 1.146 1.00 1.38 H new ATOM 0 HD21 ASN A 88 9.453 -16.068 3.271 1.00 2.55 H new ATOM 0 HD22 ASN A 88 8.287 -14.762 3.499 1.00 2.55 H new ATOM 1250 N SER A 89 6.767 -14.311 -1.769 1.00 1.12 N ATOM 1251 CA SER A 89 7.244 -14.683 -3.084 1.00 1.29 C ATOM 1252 C SER A 89 7.357 -13.442 -3.959 1.00 1.42 C ATOM 1253 O SER A 89 8.458 -12.929 -4.165 1.00 2.21 O ATOM 1254 CB SER A 89 6.312 -15.716 -3.728 1.00 1.53 C ATOM 1255 OG SER A 89 6.871 -16.240 -4.922 1.00 2.11 O ATOM 0 H SER A 89 5.867 -13.832 -1.764 1.00 1.12 H new ATOM 0 HA SER A 89 8.230 -15.138 -2.986 1.00 1.29 H new ATOM 0 HB2 SER A 89 6.124 -16.528 -3.025 1.00 1.53 H new ATOM 0 HB3 SER A 89 5.349 -15.254 -3.947 1.00 1.53 H new ATOM 0 HG SER A 89 6.256 -16.897 -5.310 1.00 2.11 H new ATOM 1261 N ILE A 90 6.199 -12.947 -4.413 1.00 1.14 N ATOM 1262 CA ILE A 90 6.097 -11.779 -5.299 1.00 1.35 C ATOM 1263 C ILE A 90 7.253 -11.701 -6.307 1.00 1.76 C ATOM 1264 O ILE A 90 7.597 -12.701 -6.943 1.00 2.17 O ATOM 1265 CB ILE A 90 5.965 -10.445 -4.507 1.00 1.10 C ATOM 1266 CG1 ILE A 90 7.140 -10.227 -3.544 1.00 1.08 C ATOM 1267 CG2 ILE A 90 4.651 -10.422 -3.745 1.00 1.14 C ATOM 1268 CD1 ILE A 90 7.083 -8.906 -2.805 1.00 0.97 C ATOM 0 H ILE A 90 5.294 -13.351 -4.173 1.00 1.14 H new ATOM 0 HA ILE A 90 5.177 -11.920 -5.867 1.00 1.35 H new ATOM 0 HB ILE A 90 5.982 -9.630 -5.230 1.00 1.10 H new ATOM 0 HG12 ILE A 90 7.159 -11.039 -2.818 1.00 1.08 H new ATOM 0 HG13 ILE A 90 8.073 -10.280 -4.105 1.00 1.08 H new ATOM 0 HG21 ILE A 90 4.566 -9.486 -3.194 1.00 1.14 H new ATOM 0 HG22 ILE A 90 3.822 -10.506 -4.447 1.00 1.14 H new ATOM 0 HG23 ILE A 90 4.621 -11.258 -3.047 1.00 1.14 H new ATOM 0 HD11 ILE A 90 7.945 -8.822 -2.143 1.00 0.97 H new ATOM 0 HD12 ILE A 90 7.096 -8.086 -3.523 1.00 0.97 H new ATOM 0 HD13 ILE A 90 6.167 -8.858 -2.216 1.00 0.97 H new ATOM 1280 N ASN A 91 7.824 -10.515 -6.457 1.00 2.27 N ATOM 1281 CA ASN A 91 8.920 -10.275 -7.383 1.00 2.91 C ATOM 1282 C ASN A 91 9.383 -8.837 -7.233 1.00 3.60 C ATOM 1283 O ASN A 91 8.552 -7.931 -7.469 1.00 4.24 O ATOM 1284 CB ASN A 91 8.495 -10.542 -8.831 1.00 3.41 C ATOM 1285 CG ASN A 91 9.603 -10.261 -9.825 1.00 4.21 C ATOM 1286 OD1 ASN A 91 9.697 -9.166 -10.382 1.00 4.78 O ATOM 1287 ND2 ASN A 91 10.455 -11.249 -10.057 1.00 4.68 N ATOM 1288 OXT ASN A 91 10.554 -8.616 -6.865 1.00 3.95 O ATOM 0 H ASN A 91 7.537 -9.686 -5.936 1.00 2.27 H new ATOM 0 HA ASN A 91 9.736 -10.958 -7.147 1.00 2.91 H new ATOM 0 HB2 ASN A 91 8.180 -11.581 -8.928 1.00 3.41 H new ATOM 0 HB3 ASN A 91 7.630 -9.923 -9.072 1.00 3.41 H new ATOM 0 HD21 ASN A 91 11.222 -11.117 -10.717 1.00 4.68 H new ATOM 0 HD22 ASN A 91 10.344 -12.142 -9.576 1.00 4.68 H new TER 1295 ASN A 91