USER MOD reduce.3.24.130724 H: found=0, std=0, add=1135, rem=0, adj=27 USER MOD reduce.3.24.130724 removed 1137 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 113 SER OG : rot 180:sc= -1.33 USER MOD Set 1.2: A 117 GLN : amide:sc= -2.34 K(o=-3.7,f=-0.79) USER MOD Set 2.1: A 3 ASN : amide:sc= -2.77 K(o=-6.5,f=-4.5!) USER MOD Set 2.2: A 59 THR OG1 : rot 180:sc= 0 USER MOD Set 2.3: A 63 ASN : amide:sc= -3.73 K(o=-6.5,f=-4.5) USER MOD Set 3.1: A 21 MET CE :methyl -141:sc= -7.72! (180deg=-10.3!) USER MOD Set 3.2: A 24 CYS SG : rot -7:sc= -3.95! USER MOD Set 3.3: A 28 CYS SG : rot 117:sc= -1.69 USER MOD Set 4.1: A 15 HIS : no HD1:sc= -4.13! C(o=-4.2!,f=-3.9!) USER MOD Set 4.2: A 33 HIS : no HE2:sc= -0.0917 K(o=-4.2,f=-5.4) USER MOD Set 5.1: A 5 LYS NZ :NH3+ -165:sc= 0.982 (180deg=0) USER MOD Set 5.2: A 46 GLN : amide:sc= -7.8! C(o=-6.8!,f=-19!) USER MOD Single : A 6 HIS : no HD1:sc= -1 K(o=-1,f=-0.5) USER MOD Single : A 9 THR OG1 : rot 180:sc= 0 USER MOD Single : A 12 GLN : amide:sc= -4.7! K(o=-4.7!,f=-1.6) USER MOD Single : A 16 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 18 CYS SG : rot -15:sc= -4.06! USER MOD Single : A 22 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 23 TYR OH : rot 180:sc= 0 USER MOD Single : A 25 LYS NZ :NH3+ -153:sc= 0.266 (180deg=-0.00279) USER MOD Single : A 26 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 27 GLN : amide:sc= -8.66! C(o=-8.7!,f=-8.4!) USER MOD Single : A 40 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 44 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 55 SER OG : rot -160:sc= 0 USER MOD Single : A 57 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 60 THR OG1 : rot 180:sc= 0 USER MOD Single : A 62 MET CE :methyl 147:sc= -4.84! (180deg=-10.7!) USER MOD Single : A 66 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 73 ASN : amide:sc= -2.57 K(o=-2.6,f=-8.8!) USER MOD Single : A 78 LYS NZ :NH3+ -147:sc= -0.128 (180deg=-0.614) USER MOD Single : A 80 SER OG : rot 180:sc= 0 USER MOD Single : A 81 ASN : amide:sc= -0.158 K(o=-0.16,f=-2.4!) USER MOD Single : A 83 SER OG : rot 180:sc= 0.0946 USER MOD Single : A 84 ASN : amide:sc= -1.58 X(o=-1.6,f=-1.7!) USER MOD Single : A 86 CYS SG : rot 180:sc= 0 USER MOD Single : A 90 THR OG1 : rot 180:sc= 0 USER MOD Single : A 92 SER OG : rot 4:sc= 1.63 USER MOD Single : A 93 GLN : amide:sc= -0.595 X(o=-0.59,f=-0.2) USER MOD Single : A 95 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 99 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 102 ASN : amide:sc= -4.9! C(o=-4.9!,f=-10!) USER MOD Single : A 104 LYS NZ :NH3+ -126:sc= -3.45! (180deg=-7.15!) USER MOD Single : A 106 SER OG : rot -110:sc= -0.491 USER MOD Single : A 110 LYS NZ :NH3+ 179:sc= -0.182 (180deg=-0.183) USER MOD Single : A 120 GLN : amide:sc= -2.65! X(o=-2.6!,f=-2.2) USER MOD Single : A 122 MET CE :methyl 152:sc= -7.67! (180deg=-10.7!) USER MOD Single : A 125 SER OG : rot 180:sc= 0 USER MOD Single : A 128 SER OG : rot -160:sc= -1.08 USER MOD Single : A 129 GLN : amide:sc= -16.2! C(o=-16!,f=-23!) USER MOD Single : A 132 SER OG : rot 180:sc= 0 USER MOD Single : A 135 GLN : amide:sc= -0.147 K(o=-0.15,f=-0.79) USER MOD Single : A 138 GLN : amide:sc= -0.984 K(o=-0.98,f=-0.092) USER MOD Single : A 139 GLN : amide:sc= -0.0751 X(o=-0.075,f=0) USER MOD ----------------------------------------------------------------- ATOM 20 N GLU A 2 -18.423 -0.662 -5.405 1.00 0.00 N ATOM 21 CA GLU A 2 -17.869 -1.288 -6.600 1.00 0.00 C ATOM 22 C GLU A 2 -16.343 -1.339 -6.546 1.00 0.00 C ATOM 23 O GLU A 2 -15.730 -2.318 -6.972 1.00 0.00 O ATOM 24 CB GLU A 2 -18.320 -0.530 -7.851 1.00 0.00 C ATOM 25 CG GLU A 2 -19.598 -1.077 -8.465 1.00 0.00 C ATOM 26 CD GLU A 2 -19.538 -1.137 -9.979 1.00 0.00 C ATOM 27 OE1 GLU A 2 -18.427 -1.314 -10.523 1.00 0.00 O ATOM 28 OE2 GLU A 2 -20.602 -1.008 -10.621 1.00 0.00 O ATOM 0 HA GLU A 2 -18.241 -2.311 -6.643 1.00 0.00 H new ATOM 0 HB2 GLU A 2 -18.469 0.519 -7.596 1.00 0.00 H new ATOM 0 HB3 GLU A 2 -17.524 -0.567 -8.595 1.00 0.00 H new ATOM 0 HG2 GLU A 2 -19.787 -2.076 -8.073 1.00 0.00 H new ATOM 0 HG3 GLU A 2 -20.438 -0.452 -8.163 1.00 0.00 H new ATOM 35 N ASN A 3 -15.736 -0.270 -6.039 1.00 0.00 N ATOM 36 CA ASN A 3 -14.280 -0.178 -5.951 1.00 0.00 C ATOM 37 C ASN A 3 -13.739 -0.823 -4.679 1.00 0.00 C ATOM 38 O ASN A 3 -12.655 -1.407 -4.685 1.00 0.00 O ATOM 39 CB ASN A 3 -13.847 1.285 -5.992 1.00 0.00 C ATOM 40 CG ASN A 3 -14.439 2.038 -7.165 1.00 0.00 C ATOM 41 OD1 ASN A 3 -15.158 1.469 -7.987 1.00 0.00 O ATOM 42 ND2 ASN A 3 -14.137 3.327 -7.246 1.00 0.00 N ATOM 0 H ASN A 3 -16.230 0.547 -5.682 1.00 0.00 H new ATOM 0 HA ASN A 3 -13.871 -0.718 -6.805 1.00 0.00 H new ATOM 0 HB2 ASN A 3 -14.145 1.774 -5.064 1.00 0.00 H new ATOM 0 HB3 ASN A 3 -12.759 1.336 -6.044 1.00 0.00 H new ATOM 0 HD21 ASN A 3 -14.505 3.890 -8.013 1.00 0.00 H new ATOM 0 HD22 ASN A 3 -13.537 3.755 -6.541 1.00 0.00 H new ATOM 49 N LEU A 4 -14.484 -0.701 -3.586 1.00 0.00 N ATOM 50 CA LEU A 4 -14.059 -1.258 -2.307 1.00 0.00 C ATOM 51 C LEU A 4 -13.715 -2.734 -2.437 1.00 0.00 C ATOM 52 O LEU A 4 -12.681 -3.185 -1.953 1.00 0.00 O ATOM 53 CB LEU A 4 -15.152 -1.070 -1.255 1.00 0.00 C ATOM 54 CG LEU A 4 -15.103 0.259 -0.501 1.00 0.00 C ATOM 55 CD1 LEU A 4 -16.489 0.642 -0.004 1.00 0.00 C ATOM 56 CD2 LEU A 4 -14.122 0.174 0.659 1.00 0.00 C ATOM 0 H LEU A 4 -15.384 -0.222 -3.560 1.00 0.00 H new ATOM 0 HA LEU A 4 -13.163 -0.723 -1.992 1.00 0.00 H new ATOM 0 HB2 LEU A 4 -16.123 -1.158 -1.742 1.00 0.00 H new ATOM 0 HB3 LEU A 4 -15.083 -1.883 -0.532 1.00 0.00 H new ATOM 0 HG LEU A 4 -14.760 1.034 -1.187 1.00 0.00 H new ATOM 0 HD11 LEU A 4 -16.435 1.591 0.530 1.00 0.00 H new ATOM 0 HD12 LEU A 4 -17.165 0.742 -0.853 1.00 0.00 H new ATOM 0 HD13 LEU A 4 -16.861 -0.132 0.667 1.00 0.00 H new ATOM 0 HD21 LEU A 4 -14.098 1.128 1.186 1.00 0.00 H new ATOM 0 HD22 LEU A 4 -14.437 -0.612 1.345 1.00 0.00 H new ATOM 0 HD23 LEU A 4 -13.127 -0.055 0.278 1.00 0.00 H new ATOM 68 N LYS A 5 -14.587 -3.483 -3.094 1.00 0.00 N ATOM 69 CA LYS A 5 -14.364 -4.914 -3.278 1.00 0.00 C ATOM 70 C LYS A 5 -13.075 -5.169 -4.050 1.00 0.00 C ATOM 71 O LYS A 5 -12.464 -6.230 -3.921 1.00 0.00 O ATOM 72 CB LYS A 5 -15.549 -5.565 -3.997 1.00 0.00 C ATOM 73 CG LYS A 5 -16.906 -5.039 -3.552 1.00 0.00 C ATOM 74 CD LYS A 5 -17.055 -5.066 -2.037 1.00 0.00 C ATOM 75 CE LYS A 5 -18.243 -4.234 -1.577 1.00 0.00 C ATOM 76 NZ LYS A 5 -19.181 -5.025 -0.732 1.00 0.00 N ATOM 0 H LYS A 5 -15.450 -3.130 -3.507 1.00 0.00 H new ATOM 0 HA LYS A 5 -14.270 -5.365 -2.290 1.00 0.00 H new ATOM 0 HB2 LYS A 5 -15.443 -5.405 -5.070 1.00 0.00 H new ATOM 0 HB3 LYS A 5 -15.515 -6.642 -3.830 1.00 0.00 H new ATOM 0 HG2 LYS A 5 -17.036 -4.018 -3.912 1.00 0.00 H new ATOM 0 HG3 LYS A 5 -17.695 -5.639 -4.005 1.00 0.00 H new ATOM 0 HD2 LYS A 5 -17.179 -6.096 -1.701 1.00 0.00 H new ATOM 0 HD3 LYS A 5 -16.144 -4.687 -1.574 1.00 0.00 H new ATOM 0 HE2 LYS A 5 -17.886 -3.372 -1.014 1.00 0.00 H new ATOM 0 HE3 LYS A 5 -18.775 -3.849 -2.447 1.00 0.00 H new ATOM 0 HZ1 LYS A 5 -20.086 -4.518 -0.650 1.00 0.00 H new ATOM 0 HZ2 LYS A 5 -19.343 -5.954 -1.170 1.00 0.00 H new ATOM 0 HZ3 LYS A 5 -18.770 -5.155 0.214 1.00 0.00 H new ATOM 90 N HIS A 6 -12.654 -4.185 -4.833 1.00 0.00 N ATOM 91 CA HIS A 6 -11.422 -4.301 -5.602 1.00 0.00 C ATOM 92 C HIS A 6 -10.245 -3.866 -4.739 1.00 0.00 C ATOM 93 O HIS A 6 -9.133 -4.377 -4.872 1.00 0.00 O ATOM 94 CB HIS A 6 -11.494 -3.449 -6.871 1.00 0.00 C ATOM 95 CG HIS A 6 -11.001 -4.159 -8.094 1.00 0.00 C ATOM 96 ND1 HIS A 6 -11.176 -5.511 -8.300 1.00 0.00 N ATOM 97 CD2 HIS A 6 -10.330 -3.699 -9.177 1.00 0.00 C ATOM 98 CE1 HIS A 6 -10.636 -5.852 -9.457 1.00 0.00 C ATOM 99 NE2 HIS A 6 -10.116 -4.771 -10.008 1.00 0.00 N ATOM 0 H HIS A 6 -13.146 -3.299 -4.952 1.00 0.00 H new ATOM 0 HA HIS A 6 -11.287 -5.340 -5.901 1.00 0.00 H new ATOM 0 HB2 HIS A 6 -12.526 -3.137 -7.032 1.00 0.00 H new ATOM 0 HB3 HIS A 6 -10.907 -2.543 -6.725 1.00 0.00 H new ATOM 0 HD2 HIS A 6 -10.021 -2.679 -9.354 1.00 0.00 H new ATOM 0 HE1 HIS A 6 -10.622 -6.846 -9.880 1.00 0.00 H new ATOM 0 HE2 HIS A 6 -9.633 -4.737 -10.906 1.00 0.00 H new ATOM 108 N ILE A 7 -10.517 -2.925 -3.843 1.00 0.00 N ATOM 109 CA ILE A 7 -9.512 -2.410 -2.929 1.00 0.00 C ATOM 110 C ILE A 7 -9.246 -3.415 -1.814 1.00 0.00 C ATOM 111 O ILE A 7 -8.097 -3.713 -1.493 1.00 0.00 O ATOM 112 CB ILE A 7 -9.979 -1.065 -2.325 1.00 0.00 C ATOM 113 CG1 ILE A 7 -9.734 0.062 -3.331 1.00 0.00 C ATOM 114 CG2 ILE A 7 -9.279 -0.756 -1.004 1.00 0.00 C ATOM 115 CD1 ILE A 7 -10.994 0.740 -3.822 1.00 0.00 C ATOM 0 H ILE A 7 -11.438 -2.500 -3.732 1.00 0.00 H new ATOM 0 HA ILE A 7 -8.588 -2.248 -3.485 1.00 0.00 H new ATOM 0 HB ILE A 7 -11.045 -1.145 -2.114 1.00 0.00 H new ATOM 0 HG12 ILE A 7 -9.088 0.810 -2.871 1.00 0.00 H new ATOM 0 HG13 ILE A 7 -9.195 -0.342 -4.188 1.00 0.00 H new ATOM 0 HG21 ILE A 7 -9.638 0.198 -0.616 1.00 0.00 H new ATOM 0 HG22 ILE A 7 -9.496 -1.545 -0.284 1.00 0.00 H new ATOM 0 HG23 ILE A 7 -8.203 -0.699 -1.167 1.00 0.00 H new ATOM 0 HD11 ILE A 7 -10.732 1.526 -4.531 1.00 0.00 H new ATOM 0 HD12 ILE A 7 -11.634 0.007 -4.313 1.00 0.00 H new ATOM 0 HD13 ILE A 7 -11.525 1.177 -2.976 1.00 0.00 H new ATOM 127 N ILE A 8 -10.321 -3.933 -1.232 1.00 0.00 N ATOM 128 CA ILE A 8 -10.212 -4.906 -0.158 1.00 0.00 C ATOM 129 C ILE A 8 -9.566 -6.180 -0.667 1.00 0.00 C ATOM 130 O ILE A 8 -8.605 -6.685 -0.086 1.00 0.00 O ATOM 131 CB ILE A 8 -11.593 -5.251 0.415 1.00 0.00 C ATOM 132 CG1 ILE A 8 -12.329 -3.979 0.838 1.00 0.00 C ATOM 133 CG2 ILE A 8 -11.466 -6.214 1.587 1.00 0.00 C ATOM 134 CD1 ILE A 8 -13.818 -4.176 1.013 1.00 0.00 C ATOM 0 H ILE A 8 -11.279 -3.693 -1.488 1.00 0.00 H new ATOM 0 HA ILE A 8 -9.598 -4.464 0.626 1.00 0.00 H new ATOM 0 HB ILE A 8 -12.175 -5.742 -0.365 1.00 0.00 H new ATOM 0 HG12 ILE A 8 -11.905 -3.618 1.775 1.00 0.00 H new ATOM 0 HG13 ILE A 8 -12.158 -3.204 0.091 1.00 0.00 H new ATOM 0 HG21 ILE A 8 -12.457 -6.445 1.977 1.00 0.00 H new ATOM 0 HG22 ILE A 8 -10.985 -7.133 1.252 1.00 0.00 H new ATOM 0 HG23 ILE A 8 -10.865 -5.755 2.372 1.00 0.00 H new ATOM 0 HD11 ILE A 8 -14.277 -3.234 1.313 1.00 0.00 H new ATOM 0 HD12 ILE A 8 -14.254 -4.508 0.071 1.00 0.00 H new ATOM 0 HD13 ILE A 8 -13.998 -4.928 1.781 1.00 0.00 H new ATOM 146 N THR A 9 -10.103 -6.692 -1.767 1.00 0.00 N ATOM 147 CA THR A 9 -9.579 -7.908 -2.371 1.00 0.00 C ATOM 148 C THR A 9 -8.115 -7.714 -2.741 1.00 0.00 C ATOM 149 O THR A 9 -7.264 -8.539 -2.409 1.00 0.00 O ATOM 150 CB THR A 9 -10.398 -8.297 -3.606 1.00 0.00 C ATOM 151 OG1 THR A 9 -10.200 -9.662 -3.929 1.00 0.00 O ATOM 152 CG2 THR A 9 -10.059 -7.482 -4.834 1.00 0.00 C ATOM 0 H THR A 9 -10.899 -6.285 -2.257 1.00 0.00 H new ATOM 0 HA THR A 9 -9.656 -8.718 -1.646 1.00 0.00 H new ATOM 0 HB THR A 9 -11.435 -8.100 -3.336 1.00 0.00 H new ATOM 0 HG1 THR A 9 -10.732 -9.892 -4.719 1.00 0.00 H new ATOM 0 HG21 THR A 9 -10.676 -7.810 -5.670 1.00 0.00 H new ATOM 0 HG22 THR A 9 -10.249 -6.427 -4.635 1.00 0.00 H new ATOM 0 HG23 THR A 9 -9.007 -7.620 -5.083 1.00 0.00 H new ATOM 160 N LEU A 10 -7.826 -6.601 -3.409 1.00 0.00 N ATOM 161 CA LEU A 10 -6.462 -6.290 -3.793 1.00 0.00 C ATOM 162 C LEU A 10 -5.635 -6.033 -2.551 1.00 0.00 C ATOM 163 O LEU A 10 -4.447 -6.349 -2.506 1.00 0.00 O ATOM 164 CB LEU A 10 -6.406 -5.080 -4.725 1.00 0.00 C ATOM 165 CG LEU A 10 -5.008 -4.733 -5.240 1.00 0.00 C ATOM 166 CD1 LEU A 10 -4.219 -5.997 -5.559 1.00 0.00 C ATOM 167 CD2 LEU A 10 -5.100 -3.836 -6.466 1.00 0.00 C ATOM 0 H LEU A 10 -8.517 -5.906 -3.692 1.00 0.00 H new ATOM 0 HA LEU A 10 -6.054 -7.143 -4.335 1.00 0.00 H new ATOM 0 HB2 LEU A 10 -7.057 -5.266 -5.579 1.00 0.00 H new ATOM 0 HB3 LEU A 10 -6.810 -4.215 -4.199 1.00 0.00 H new ATOM 0 HG LEU A 10 -4.479 -4.192 -4.455 1.00 0.00 H new ATOM 0 HD11 LEU A 10 -3.228 -5.725 -5.923 1.00 0.00 H new ATOM 0 HD12 LEU A 10 -4.121 -6.602 -4.658 1.00 0.00 H new ATOM 0 HD13 LEU A 10 -4.743 -6.569 -6.325 1.00 0.00 H new ATOM 0 HD21 LEU A 10 -4.097 -3.599 -6.819 1.00 0.00 H new ATOM 0 HD22 LEU A 10 -5.650 -4.351 -7.254 1.00 0.00 H new ATOM 0 HD23 LEU A 10 -5.620 -2.914 -6.204 1.00 0.00 H new ATOM 179 N GLY A 11 -6.282 -5.490 -1.523 1.00 0.00 N ATOM 180 CA GLY A 11 -5.584 -5.248 -0.283 1.00 0.00 C ATOM 181 C GLY A 11 -5.100 -6.553 0.305 1.00 0.00 C ATOM 182 O GLY A 11 -4.084 -6.598 0.996 1.00 0.00 O ATOM 0 H GLY A 11 -7.265 -5.218 -1.530 1.00 0.00 H new ATOM 0 HA2 GLY A 11 -4.738 -4.583 -0.457 1.00 0.00 H new ATOM 0 HA3 GLY A 11 -6.245 -4.745 0.423 1.00 0.00 H new ATOM 186 N GLN A 12 -5.832 -7.626 -0.001 1.00 0.00 N ATOM 187 CA GLN A 12 -5.478 -8.957 0.472 1.00 0.00 C ATOM 188 C GLN A 12 -4.375 -9.548 -0.392 1.00 0.00 C ATOM 189 O GLN A 12 -3.479 -10.228 0.108 1.00 0.00 O ATOM 190 CB GLN A 12 -6.702 -9.876 0.452 1.00 0.00 C ATOM 191 CG GLN A 12 -7.779 -9.475 1.444 1.00 0.00 C ATOM 192 CD GLN A 12 -7.254 -9.372 2.861 1.00 0.00 C ATOM 193 OE1 GLN A 12 -6.415 -10.165 3.286 1.00 0.00 O ATOM 194 NE2 GLN A 12 -7.748 -8.387 3.600 1.00 0.00 N ATOM 0 H GLN A 12 -6.674 -7.594 -0.576 1.00 0.00 H new ATOM 0 HA GLN A 12 -5.119 -8.872 1.498 1.00 0.00 H new ATOM 0 HB2 GLN A 12 -7.127 -9.879 -0.552 1.00 0.00 H new ATOM 0 HB3 GLN A 12 -6.384 -10.896 0.667 1.00 0.00 H new ATOM 0 HG2 GLN A 12 -8.203 -8.516 1.147 1.00 0.00 H new ATOM 0 HG3 GLN A 12 -8.588 -10.205 1.412 1.00 0.00 H new ATOM 0 HE21 GLN A 12 -8.443 -7.753 3.206 1.00 0.00 H new ATOM 0 HE22 GLN A 12 -7.433 -8.264 4.562 1.00 0.00 H new ATOM 203 N VAL A 13 -4.431 -9.268 -1.690 1.00 0.00 N ATOM 204 CA VAL A 13 -3.420 -9.760 -2.609 1.00 0.00 C ATOM 205 C VAL A 13 -2.115 -9.042 -2.340 1.00 0.00 C ATOM 206 O VAL A 13 -1.112 -9.657 -1.990 1.00 0.00 O ATOM 207 CB VAL A 13 -3.842 -9.543 -4.068 1.00 0.00 C ATOM 208 CG1 VAL A 13 -2.662 -9.718 -5.013 1.00 0.00 C ATOM 209 CG2 VAL A 13 -4.971 -10.490 -4.423 1.00 0.00 C ATOM 0 H VAL A 13 -5.163 -8.706 -2.124 1.00 0.00 H new ATOM 0 HA VAL A 13 -3.298 -10.832 -2.451 1.00 0.00 H new ATOM 0 HB VAL A 13 -4.197 -8.519 -4.179 1.00 0.00 H new ATOM 0 HG11 VAL A 13 -2.991 -9.558 -6.040 1.00 0.00 H new ATOM 0 HG12 VAL A 13 -1.886 -8.994 -4.764 1.00 0.00 H new ATOM 0 HG13 VAL A 13 -2.262 -10.727 -4.913 1.00 0.00 H new ATOM 0 HG21 VAL A 13 -5.266 -10.331 -5.460 1.00 0.00 H new ATOM 0 HG22 VAL A 13 -4.636 -11.519 -4.294 1.00 0.00 H new ATOM 0 HG23 VAL A 13 -5.823 -10.301 -3.770 1.00 0.00 H new ATOM 219 N ILE A 14 -2.149 -7.722 -2.468 1.00 0.00 N ATOM 220 CA ILE A 14 -0.982 -6.901 -2.197 1.00 0.00 C ATOM 221 C ILE A 14 -0.339 -7.352 -0.888 1.00 0.00 C ATOM 222 O ILE A 14 0.876 -7.269 -0.710 1.00 0.00 O ATOM 223 CB ILE A 14 -1.381 -5.409 -2.106 1.00 0.00 C ATOM 224 CG1 ILE A 14 -0.889 -4.643 -3.330 1.00 0.00 C ATOM 225 CG2 ILE A 14 -0.858 -4.768 -0.830 1.00 0.00 C ATOM 226 CD1 ILE A 14 -1.745 -3.444 -3.654 1.00 0.00 C ATOM 0 H ILE A 14 -2.975 -7.199 -2.758 1.00 0.00 H new ATOM 0 HA ILE A 14 -0.267 -7.017 -3.012 1.00 0.00 H new ATOM 0 HB ILE A 14 -2.470 -5.361 -2.080 1.00 0.00 H new ATOM 0 HG12 ILE A 14 0.137 -4.316 -3.160 1.00 0.00 H new ATOM 0 HG13 ILE A 14 -0.871 -5.313 -4.189 1.00 0.00 H new ATOM 0 HG21 ILE A 14 -1.157 -3.720 -0.800 1.00 0.00 H new ATOM 0 HG22 ILE A 14 -1.271 -5.288 0.034 1.00 0.00 H new ATOM 0 HG23 ILE A 14 0.230 -4.835 -0.808 1.00 0.00 H new ATOM 0 HD11 ILE A 14 -1.346 -2.939 -4.534 1.00 0.00 H new ATOM 0 HD12 ILE A 14 -2.766 -3.769 -3.854 1.00 0.00 H new ATOM 0 HD13 ILE A 14 -1.742 -2.756 -2.809 1.00 0.00 H new ATOM 238 N HIS A 15 -1.182 -7.842 0.021 1.00 0.00 N ATOM 239 CA HIS A 15 -0.731 -8.324 1.312 1.00 0.00 C ATOM 240 C HIS A 15 -0.243 -9.768 1.207 1.00 0.00 C ATOM 241 O HIS A 15 0.741 -10.142 1.844 1.00 0.00 O ATOM 242 CB HIS A 15 -1.871 -8.202 2.330 1.00 0.00 C ATOM 243 CG HIS A 15 -1.979 -9.351 3.282 1.00 0.00 C ATOM 244 ND1 HIS A 15 -2.959 -10.311 3.177 1.00 0.00 N ATOM 245 CD2 HIS A 15 -1.227 -9.694 4.354 1.00 0.00 C ATOM 246 CE1 HIS A 15 -2.808 -11.196 4.142 1.00 0.00 C ATOM 247 NE2 HIS A 15 -1.764 -10.846 4.870 1.00 0.00 N ATOM 0 H HIS A 15 -2.189 -7.913 -0.122 1.00 0.00 H new ATOM 0 HA HIS A 15 0.108 -7.715 1.649 1.00 0.00 H new ATOM 0 HB2 HIS A 15 -1.733 -7.284 2.902 1.00 0.00 H new ATOM 0 HB3 HIS A 15 -2.813 -8.103 1.791 1.00 0.00 H new ATOM 0 HD2 HIS A 15 -0.367 -9.161 4.732 1.00 0.00 H new ATOM 0 HE1 HIS A 15 -3.433 -12.061 4.309 1.00 0.00 H new ATOM 0 HE2 HIS A 15 -1.413 -11.350 5.684 1.00 0.00 H new ATOM 256 N LYS A 16 -0.932 -10.578 0.402 1.00 0.00 N ATOM 257 CA LYS A 16 -0.545 -11.975 0.234 1.00 0.00 C ATOM 258 C LYS A 16 0.715 -12.087 -0.621 1.00 0.00 C ATOM 259 O LYS A 16 1.616 -12.869 -0.316 1.00 0.00 O ATOM 260 CB LYS A 16 -1.695 -12.787 -0.376 1.00 0.00 C ATOM 261 CG LYS A 16 -1.761 -12.750 -1.896 1.00 0.00 C ATOM 262 CD LYS A 16 -3.109 -13.234 -2.399 1.00 0.00 C ATOM 263 CE LYS A 16 -3.241 -14.743 -2.277 1.00 0.00 C ATOM 264 NZ LYS A 16 -4.570 -15.225 -2.743 1.00 0.00 N ATOM 0 H LYS A 16 -1.750 -10.294 -0.137 1.00 0.00 H new ATOM 0 HA LYS A 16 -0.324 -12.389 1.218 1.00 0.00 H new ATOM 0 HB2 LYS A 16 -1.600 -13.824 -0.055 1.00 0.00 H new ATOM 0 HB3 LYS A 16 -2.638 -12.414 0.025 1.00 0.00 H new ATOM 0 HG2 LYS A 16 -1.583 -11.733 -2.246 1.00 0.00 H new ATOM 0 HG3 LYS A 16 -0.969 -13.373 -2.312 1.00 0.00 H new ATOM 0 HD2 LYS A 16 -3.905 -12.751 -1.832 1.00 0.00 H new ATOM 0 HD3 LYS A 16 -3.237 -12.940 -3.441 1.00 0.00 H new ATOM 0 HE2 LYS A 16 -2.456 -15.224 -2.860 1.00 0.00 H new ATOM 0 HE3 LYS A 16 -3.092 -15.037 -1.238 1.00 0.00 H new ATOM 0 HZ1 LYS A 16 -4.619 -16.259 -2.643 1.00 0.00 H new ATOM 0 HZ2 LYS A 16 -5.319 -14.786 -2.170 1.00 0.00 H new ATOM 0 HZ3 LYS A 16 -4.702 -14.967 -3.742 1.00 0.00 H new ATOM 278 N ARG A 17 0.777 -11.290 -1.682 1.00 0.00 N ATOM 279 CA ARG A 17 1.933 -11.289 -2.569 1.00 0.00 C ATOM 280 C ARG A 17 3.180 -10.851 -1.812 1.00 0.00 C ATOM 281 O ARG A 17 4.210 -11.525 -1.847 1.00 0.00 O ATOM 282 CB ARG A 17 1.693 -10.356 -3.758 1.00 0.00 C ATOM 283 CG ARG A 17 0.420 -10.667 -4.529 1.00 0.00 C ATOM 284 CD ARG A 17 0.713 -11.060 -5.970 1.00 0.00 C ATOM 285 NE ARG A 17 0.032 -12.294 -6.351 1.00 0.00 N ATOM 286 CZ ARG A 17 -0.202 -12.655 -7.610 1.00 0.00 C ATOM 287 NH1 ARG A 17 0.191 -11.882 -8.615 1.00 0.00 N ATOM 288 NH2 ARG A 17 -0.831 -13.794 -7.866 1.00 0.00 N ATOM 0 H ARG A 17 0.040 -10.637 -1.948 1.00 0.00 H new ATOM 0 HA ARG A 17 2.082 -12.303 -2.941 1.00 0.00 H new ATOM 0 HB2 ARG A 17 1.648 -9.328 -3.399 1.00 0.00 H new ATOM 0 HB3 ARG A 17 2.544 -10.420 -4.437 1.00 0.00 H new ATOM 0 HG2 ARG A 17 -0.116 -11.476 -4.034 1.00 0.00 H new ATOM 0 HG3 ARG A 17 -0.235 -9.796 -4.516 1.00 0.00 H new ATOM 0 HD2 ARG A 17 0.402 -10.255 -6.635 1.00 0.00 H new ATOM 0 HD3 ARG A 17 1.788 -11.184 -6.100 1.00 0.00 H new ATOM 0 HE ARG A 17 -0.283 -12.917 -5.607 1.00 0.00 H new ATOM 0 HH11 ARG A 17 0.676 -11.005 -8.424 1.00 0.00 H new ATOM 0 HH12 ARG A 17 0.008 -12.165 -9.578 1.00 0.00 H new ATOM 0 HH21 ARG A 17 -1.135 -14.392 -7.098 1.00 0.00 H new ATOM 0 HH22 ARG A 17 -1.011 -14.072 -8.831 1.00 0.00 H new ATOM 302 N CYS A 18 3.076 -9.721 -1.120 1.00 0.00 N ATOM 303 CA CYS A 18 4.192 -9.197 -0.344 1.00 0.00 C ATOM 304 C CYS A 18 4.532 -10.144 0.800 1.00 0.00 C ATOM 305 O CYS A 18 5.693 -10.292 1.176 1.00 0.00 O ATOM 306 CB CYS A 18 3.865 -7.805 0.198 1.00 0.00 C ATOM 307 SG CYS A 18 2.656 -7.791 1.542 1.00 0.00 S ATOM 0 H CYS A 18 2.231 -9.152 -1.081 1.00 0.00 H new ATOM 0 HA CYS A 18 5.059 -9.116 -1.000 1.00 0.00 H new ATOM 0 HB2 CYS A 18 4.786 -7.340 0.549 1.00 0.00 H new ATOM 0 HB3 CYS A 18 3.489 -7.190 -0.619 1.00 0.00 H new ATOM 0 HG CYS A 18 2.042 -8.936 1.585 1.00 0.00 H new ATOM 313 N GLU A 19 3.509 -10.795 1.344 1.00 0.00 N ATOM 314 CA GLU A 19 3.709 -11.740 2.432 1.00 0.00 C ATOM 315 C GLU A 19 4.538 -12.921 1.944 1.00 0.00 C ATOM 316 O GLU A 19 5.286 -13.528 2.708 1.00 0.00 O ATOM 317 CB GLU A 19 2.365 -12.229 2.976 1.00 0.00 C ATOM 318 CG GLU A 19 1.880 -11.451 4.188 1.00 0.00 C ATOM 319 CD GLU A 19 1.584 -12.346 5.378 1.00 0.00 C ATOM 320 OE1 GLU A 19 2.216 -13.418 5.484 1.00 0.00 O ATOM 321 OE2 GLU A 19 0.721 -11.974 6.200 1.00 0.00 O ATOM 0 H GLU A 19 2.539 -10.685 1.050 1.00 0.00 H new ATOM 0 HA GLU A 19 4.242 -11.236 3.238 1.00 0.00 H new ATOM 0 HB2 GLU A 19 1.616 -12.160 2.187 1.00 0.00 H new ATOM 0 HB3 GLU A 19 2.452 -13.283 3.242 1.00 0.00 H new ATOM 0 HG2 GLU A 19 2.635 -10.717 4.469 1.00 0.00 H new ATOM 0 HG3 GLU A 19 0.980 -10.897 3.923 1.00 0.00 H new ATOM 328 N GLU A 20 4.398 -13.235 0.657 1.00 0.00 N ATOM 329 CA GLU A 20 5.135 -14.342 0.057 1.00 0.00 C ATOM 330 C GLU A 20 6.387 -13.852 -0.677 1.00 0.00 C ATOM 331 O GLU A 20 7.187 -14.659 -1.150 1.00 0.00 O ATOM 332 CB GLU A 20 4.236 -15.121 -0.905 1.00 0.00 C ATOM 333 CG GLU A 20 3.818 -14.327 -2.133 1.00 0.00 C ATOM 334 CD GLU A 20 3.511 -15.214 -3.323 1.00 0.00 C ATOM 335 OE1 GLU A 20 2.493 -15.935 -3.280 1.00 0.00 O ATOM 336 OE2 GLU A 20 4.290 -15.186 -4.300 1.00 0.00 O ATOM 0 H GLU A 20 3.782 -12.739 0.013 1.00 0.00 H new ATOM 0 HA GLU A 20 5.454 -15.002 0.864 1.00 0.00 H new ATOM 0 HB2 GLU A 20 4.758 -16.022 -1.227 1.00 0.00 H new ATOM 0 HB3 GLU A 20 3.342 -15.444 -0.371 1.00 0.00 H new ATOM 0 HG2 GLU A 20 2.938 -13.730 -1.893 1.00 0.00 H new ATOM 0 HG3 GLU A 20 4.613 -13.631 -2.399 1.00 0.00 H new ATOM 343 N MET A 21 6.552 -12.532 -0.775 1.00 0.00 N ATOM 344 CA MET A 21 7.706 -11.949 -1.457 1.00 0.00 C ATOM 345 C MET A 21 9.008 -12.620 -1.031 1.00 0.00 C ATOM 346 O MET A 21 9.259 -12.821 0.156 1.00 0.00 O ATOM 347 CB MET A 21 7.786 -10.446 -1.179 1.00 0.00 C ATOM 348 CG MET A 21 7.322 -9.592 -2.345 1.00 0.00 C ATOM 349 SD MET A 21 8.424 -9.713 -3.766 1.00 0.00 S ATOM 350 CE MET A 21 8.490 -8.006 -4.304 1.00 0.00 C ATOM 0 H MET A 21 5.901 -11.848 -0.391 1.00 0.00 H new ATOM 0 HA MET A 21 7.572 -12.114 -2.526 1.00 0.00 H new ATOM 0 HB2 MET A 21 7.180 -10.213 -0.304 1.00 0.00 H new ATOM 0 HB3 MET A 21 8.815 -10.184 -0.933 1.00 0.00 H new ATOM 0 HG2 MET A 21 6.318 -9.899 -2.640 1.00 0.00 H new ATOM 0 HG3 MET A 21 7.257 -8.552 -2.027 1.00 0.00 H new ATOM 0 HE1 MET A 21 8.487 -7.967 -5.393 1.00 0.00 H new ATOM 0 HE2 MET A 21 7.623 -7.469 -3.919 1.00 0.00 H new ATOM 0 HE3 MET A 21 9.401 -7.541 -3.927 1.00 0.00 H new ATOM 360 N LYS A 22 9.835 -12.951 -2.015 1.00 0.00 N ATOM 361 CA LYS A 22 11.120 -13.585 -1.753 1.00 0.00 C ATOM 362 C LYS A 22 12.215 -12.534 -1.578 1.00 0.00 C ATOM 363 O LYS A 22 13.376 -12.869 -1.345 1.00 0.00 O ATOM 364 CB LYS A 22 11.488 -14.536 -2.895 1.00 0.00 C ATOM 365 CG LYS A 22 10.345 -15.436 -3.337 1.00 0.00 C ATOM 366 CD LYS A 22 10.414 -16.796 -2.660 1.00 0.00 C ATOM 367 CE LYS A 22 9.392 -16.915 -1.540 1.00 0.00 C ATOM 368 NZ LYS A 22 9.879 -17.784 -0.434 1.00 0.00 N ATOM 0 H LYS A 22 9.638 -12.790 -3.003 1.00 0.00 H new ATOM 0 HA LYS A 22 11.035 -14.157 -0.829 1.00 0.00 H new ATOM 0 HB2 LYS A 22 11.827 -13.949 -3.749 1.00 0.00 H new ATOM 0 HB3 LYS A 22 12.327 -15.157 -2.582 1.00 0.00 H new ATOM 0 HG2 LYS A 22 9.393 -14.959 -3.102 1.00 0.00 H new ATOM 0 HG3 LYS A 22 10.379 -15.565 -4.419 1.00 0.00 H new ATOM 0 HD2 LYS A 22 10.240 -17.580 -3.397 1.00 0.00 H new ATOM 0 HD3 LYS A 22 11.415 -16.953 -2.258 1.00 0.00 H new ATOM 0 HE2 LYS A 22 9.165 -15.923 -1.149 1.00 0.00 H new ATOM 0 HE3 LYS A 22 8.462 -17.321 -1.939 1.00 0.00 H new ATOM 0 HZ1 LYS A 22 9.154 -17.839 0.309 1.00 0.00 H new ATOM 0 HZ2 LYS A 22 10.072 -18.738 -0.801 1.00 0.00 H new ATOM 0 HZ3 LYS A 22 10.752 -17.383 -0.036 1.00 0.00 H new ATOM 382 N TYR A 23 11.839 -11.259 -1.693 1.00 0.00 N ATOM 383 CA TYR A 23 12.796 -10.168 -1.548 1.00 0.00 C ATOM 384 C TYR A 23 12.125 -8.921 -0.985 1.00 0.00 C ATOM 385 O TYR A 23 10.899 -8.804 -1.001 1.00 0.00 O ATOM 386 CB TYR A 23 13.435 -9.846 -2.899 1.00 0.00 C ATOM 387 CG TYR A 23 14.698 -10.629 -3.177 1.00 0.00 C ATOM 388 CD1 TYR A 23 14.639 -11.949 -3.602 1.00 0.00 C ATOM 389 CD2 TYR A 23 15.948 -10.046 -3.012 1.00 0.00 C ATOM 390 CE1 TYR A 23 15.791 -12.668 -3.858 1.00 0.00 C ATOM 391 CE2 TYR A 23 17.105 -10.758 -3.266 1.00 0.00 C ATOM 392 CZ TYR A 23 17.021 -12.068 -3.688 1.00 0.00 C ATOM 393 OH TYR A 23 18.171 -12.781 -3.941 1.00 0.00 O ATOM 0 H TYR A 23 10.883 -10.960 -1.885 1.00 0.00 H new ATOM 0 HA TYR A 23 13.569 -10.488 -0.849 1.00 0.00 H new ATOM 0 HB2 TYR A 23 12.712 -10.047 -3.690 1.00 0.00 H new ATOM 0 HB3 TYR A 23 13.663 -8.781 -2.938 1.00 0.00 H new ATOM 0 HD1 TYR A 23 13.677 -12.422 -3.735 1.00 0.00 H new ATOM 0 HD2 TYR A 23 16.017 -9.021 -2.680 1.00 0.00 H new ATOM 0 HE1 TYR A 23 15.728 -13.694 -4.189 1.00 0.00 H new ATOM 0 HE2 TYR A 23 18.070 -10.291 -3.135 1.00 0.00 H new ATOM 0 HH TYR A 23 18.952 -12.213 -3.774 1.00 0.00 H new ATOM 403 N CYS A 24 12.943 -7.988 -0.493 1.00 0.00 N ATOM 404 CA CYS A 24 12.451 -6.729 0.073 1.00 0.00 C ATOM 405 C CYS A 24 11.183 -6.930 0.899 1.00 0.00 C ATOM 406 O CYS A 24 10.323 -6.051 0.948 1.00 0.00 O ATOM 407 CB CYS A 24 12.176 -5.727 -1.046 1.00 0.00 C ATOM 408 SG CYS A 24 10.799 -6.187 -2.123 1.00 0.00 S ATOM 0 H CYS A 24 13.958 -8.082 -0.475 1.00 0.00 H new ATOM 0 HA CYS A 24 13.226 -6.345 0.736 1.00 0.00 H new ATOM 0 HB2 CYS A 24 11.968 -4.752 -0.604 1.00 0.00 H new ATOM 0 HB3 CYS A 24 13.076 -5.617 -1.651 1.00 0.00 H new ATOM 0 HG CYS A 24 10.390 -7.383 -1.818 1.00 0.00 H new ATOM 414 N LYS A 25 11.065 -8.086 1.540 1.00 0.00 N ATOM 415 CA LYS A 25 9.892 -8.383 2.351 1.00 0.00 C ATOM 416 C LYS A 25 9.653 -7.299 3.393 1.00 0.00 C ATOM 417 O LYS A 25 8.518 -6.897 3.628 1.00 0.00 O ATOM 418 CB LYS A 25 10.037 -9.731 3.045 1.00 0.00 C ATOM 419 CG LYS A 25 10.322 -10.883 2.096 1.00 0.00 C ATOM 420 CD LYS A 25 11.154 -11.965 2.767 1.00 0.00 C ATOM 421 CE LYS A 25 11.607 -13.021 1.771 1.00 0.00 C ATOM 422 NZ LYS A 25 10.905 -14.318 1.976 1.00 0.00 N ATOM 0 H LYS A 25 11.763 -8.829 1.514 1.00 0.00 H new ATOM 0 HA LYS A 25 9.035 -8.419 1.679 1.00 0.00 H new ATOM 0 HB2 LYS A 25 10.843 -9.668 3.776 1.00 0.00 H new ATOM 0 HB3 LYS A 25 9.122 -9.945 3.597 1.00 0.00 H new ATOM 0 HG2 LYS A 25 9.382 -11.310 1.747 1.00 0.00 H new ATOM 0 HG3 LYS A 25 10.848 -10.510 1.217 1.00 0.00 H new ATOM 0 HD2 LYS A 25 12.026 -11.513 3.241 1.00 0.00 H new ATOM 0 HD3 LYS A 25 10.570 -12.436 3.557 1.00 0.00 H new ATOM 0 HE2 LYS A 25 11.423 -12.666 0.757 1.00 0.00 H new ATOM 0 HE3 LYS A 25 12.682 -13.172 1.866 1.00 0.00 H new ATOM 0 HZ1 LYS A 25 11.508 -15.096 1.640 1.00 0.00 H new ATOM 0 HZ2 LYS A 25 10.704 -14.448 2.988 1.00 0.00 H new ATOM 0 HZ3 LYS A 25 10.012 -14.317 1.443 1.00 0.00 H new ATOM 436 N LYS A 26 10.725 -6.826 4.019 1.00 0.00 N ATOM 437 CA LYS A 26 10.610 -5.783 5.035 1.00 0.00 C ATOM 438 C LYS A 26 9.702 -4.659 4.547 1.00 0.00 C ATOM 439 O LYS A 26 8.676 -4.358 5.161 1.00 0.00 O ATOM 440 CB LYS A 26 11.992 -5.228 5.386 1.00 0.00 C ATOM 441 CG LYS A 26 12.912 -6.250 6.036 1.00 0.00 C ATOM 442 CD LYS A 26 14.235 -5.627 6.455 1.00 0.00 C ATOM 443 CE LYS A 26 15.405 -6.242 5.703 1.00 0.00 C ATOM 444 NZ LYS A 26 16.693 -5.568 6.030 1.00 0.00 N ATOM 0 H LYS A 26 11.678 -7.145 3.843 1.00 0.00 H new ATOM 0 HA LYS A 26 10.170 -6.222 5.930 1.00 0.00 H new ATOM 0 HB2 LYS A 26 12.464 -4.852 4.479 1.00 0.00 H new ATOM 0 HB3 LYS A 26 11.873 -4.379 6.059 1.00 0.00 H new ATOM 0 HG2 LYS A 26 12.420 -6.681 6.908 1.00 0.00 H new ATOM 0 HG3 LYS A 26 13.099 -7.067 5.339 1.00 0.00 H new ATOM 0 HD2 LYS A 26 14.207 -4.553 6.271 1.00 0.00 H new ATOM 0 HD3 LYS A 26 14.379 -5.763 7.527 1.00 0.00 H new ATOM 0 HE2 LYS A 26 15.477 -7.302 5.948 1.00 0.00 H new ATOM 0 HE3 LYS A 26 15.222 -6.175 4.630 1.00 0.00 H new ATOM 0 HZ1 LYS A 26 17.465 -6.017 5.497 1.00 0.00 H new ATOM 0 HZ2 LYS A 26 16.634 -4.562 5.772 1.00 0.00 H new ATOM 0 HZ3 LYS A 26 16.881 -5.654 7.049 1.00 0.00 H new ATOM 458 N GLN A 27 10.082 -4.052 3.430 1.00 0.00 N ATOM 459 CA GLN A 27 9.306 -2.968 2.847 1.00 0.00 C ATOM 460 C GLN A 27 8.019 -3.491 2.219 1.00 0.00 C ATOM 461 O GLN A 27 6.941 -2.942 2.450 1.00 0.00 O ATOM 462 CB GLN A 27 10.139 -2.229 1.802 1.00 0.00 C ATOM 463 CG GLN A 27 11.155 -1.277 2.407 1.00 0.00 C ATOM 464 CD GLN A 27 12.454 -1.245 1.631 1.00 0.00 C ATOM 465 OE1 GLN A 27 13.262 -2.170 1.709 1.00 0.00 O ATOM 466 NE2 GLN A 27 12.661 -0.175 0.875 1.00 0.00 N ATOM 0 H GLN A 27 10.925 -4.294 2.909 1.00 0.00 H new ATOM 0 HA GLN A 27 9.037 -2.275 3.644 1.00 0.00 H new ATOM 0 HB2 GLN A 27 10.659 -2.958 1.181 1.00 0.00 H new ATOM 0 HB3 GLN A 27 9.473 -1.669 1.146 1.00 0.00 H new ATOM 0 HG2 GLN A 27 10.732 -0.273 2.442 1.00 0.00 H new ATOM 0 HG3 GLN A 27 11.358 -1.573 3.436 1.00 0.00 H new ATOM 0 HE21 GLN A 27 11.963 0.568 0.841 1.00 0.00 H new ATOM 0 HE22 GLN A 27 13.518 -0.095 0.328 1.00 0.00 H new ATOM 475 N CYS A 28 8.130 -4.550 1.421 1.00 0.00 N ATOM 476 CA CYS A 28 6.960 -5.125 0.768 1.00 0.00 C ATOM 477 C CYS A 28 5.927 -5.591 1.792 1.00 0.00 C ATOM 478 O CYS A 28 4.790 -5.118 1.792 1.00 0.00 O ATOM 479 CB CYS A 28 7.369 -6.287 -0.137 1.00 0.00 C ATOM 480 SG CYS A 28 7.498 -5.839 -1.881 1.00 0.00 S ATOM 0 H CYS A 28 9.010 -5.023 1.213 1.00 0.00 H new ATOM 0 HA CYS A 28 6.503 -4.346 0.157 1.00 0.00 H new ATOM 0 HB2 CYS A 28 8.329 -6.678 0.200 1.00 0.00 H new ATOM 0 HB3 CYS A 28 6.642 -7.092 -0.031 1.00 0.00 H new ATOM 0 HG CYS A 28 8.726 -5.995 -2.280 1.00 0.00 H new ATOM 486 N ARG A 29 6.322 -6.521 2.660 1.00 0.00 N ATOM 487 CA ARG A 29 5.422 -7.050 3.685 1.00 0.00 C ATOM 488 C ARG A 29 4.657 -5.928 4.387 1.00 0.00 C ATOM 489 O ARG A 29 3.471 -6.066 4.684 1.00 0.00 O ATOM 490 CB ARG A 29 6.202 -7.889 4.708 1.00 0.00 C ATOM 491 CG ARG A 29 6.790 -7.088 5.864 1.00 0.00 C ATOM 492 CD ARG A 29 7.506 -7.990 6.856 1.00 0.00 C ATOM 493 NE ARG A 29 8.664 -7.335 7.458 1.00 0.00 N ATOM 494 CZ ARG A 29 8.579 -6.400 8.402 1.00 0.00 C ATOM 495 NH1 ARG A 29 7.395 -6.013 8.858 1.00 0.00 N ATOM 496 NH2 ARG A 29 9.683 -5.851 8.892 1.00 0.00 N ATOM 0 H ARG A 29 7.259 -6.924 2.674 1.00 0.00 H new ATOM 0 HA ARG A 29 4.694 -7.692 3.189 1.00 0.00 H new ATOM 0 HB2 ARG A 29 5.539 -8.654 5.112 1.00 0.00 H new ATOM 0 HB3 ARG A 29 7.011 -8.407 4.193 1.00 0.00 H new ATOM 0 HG2 ARG A 29 7.487 -6.345 5.476 1.00 0.00 H new ATOM 0 HG3 ARG A 29 5.995 -6.544 6.373 1.00 0.00 H new ATOM 0 HD2 ARG A 29 6.811 -8.289 7.640 1.00 0.00 H new ATOM 0 HD3 ARG A 29 7.827 -8.901 6.351 1.00 0.00 H new ATOM 0 HE ARG A 29 9.592 -7.610 7.137 1.00 0.00 H new ATOM 0 HH11 ARG A 29 6.543 -6.432 8.485 1.00 0.00 H new ATOM 0 HH12 ARG A 29 7.336 -5.296 9.581 1.00 0.00 H new ATOM 0 HH21 ARG A 29 10.596 -6.145 8.545 1.00 0.00 H new ATOM 0 HH22 ARG A 29 9.619 -5.135 9.615 1.00 0.00 H new ATOM 510 N ARG A 30 5.342 -4.817 4.646 1.00 0.00 N ATOM 511 CA ARG A 30 4.717 -3.678 5.310 1.00 0.00 C ATOM 512 C ARG A 30 3.659 -3.047 4.419 1.00 0.00 C ATOM 513 O ARG A 30 2.547 -2.770 4.863 1.00 0.00 O ATOM 514 CB ARG A 30 5.758 -2.627 5.682 1.00 0.00 C ATOM 515 CG ARG A 30 6.385 -2.848 7.048 1.00 0.00 C ATOM 516 CD ARG A 30 7.120 -1.609 7.533 1.00 0.00 C ATOM 517 NE ARG A 30 8.405 -1.437 6.859 1.00 0.00 N ATOM 518 CZ ARG A 30 8.565 -0.774 5.716 1.00 0.00 C ATOM 519 NH1 ARG A 30 7.528 -0.204 5.114 1.00 0.00 N ATOM 520 NH2 ARG A 30 9.770 -0.680 5.172 1.00 0.00 N ATOM 0 H ARG A 30 6.324 -4.682 4.407 1.00 0.00 H new ATOM 0 HA ARG A 30 4.244 -4.047 6.220 1.00 0.00 H new ATOM 0 HB2 ARG A 30 6.544 -2.623 4.927 1.00 0.00 H new ATOM 0 HB3 ARG A 30 5.291 -1.642 5.661 1.00 0.00 H new ATOM 0 HG2 ARG A 30 5.610 -3.116 7.766 1.00 0.00 H new ATOM 0 HG3 ARG A 30 7.079 -3.687 6.999 1.00 0.00 H new ATOM 0 HD2 ARG A 30 6.500 -0.729 7.362 1.00 0.00 H new ATOM 0 HD3 ARG A 30 7.281 -1.681 8.609 1.00 0.00 H new ATOM 0 HE ARG A 30 9.231 -1.851 7.291 1.00 0.00 H new ATOM 0 HH11 ARG A 30 6.598 -0.272 5.527 1.00 0.00 H new ATOM 0 HH12 ARG A 30 7.661 0.302 4.238 1.00 0.00 H new ATOM 0 HH21 ARG A 30 10.571 -1.115 5.629 1.00 0.00 H new ATOM 0 HH22 ARG A 30 9.896 -0.173 4.296 1.00 0.00 H new ATOM 534 N LEU A 31 4.011 -2.818 3.157 1.00 0.00 N ATOM 535 CA LEU A 31 3.085 -2.217 2.202 1.00 0.00 C ATOM 536 C LEU A 31 1.726 -2.902 2.276 1.00 0.00 C ATOM 537 O LEU A 31 0.697 -2.250 2.444 1.00 0.00 O ATOM 538 CB LEU A 31 3.647 -2.320 0.781 1.00 0.00 C ATOM 539 CG LEU A 31 2.648 -2.026 -0.342 1.00 0.00 C ATOM 540 CD1 LEU A 31 1.923 -0.709 -0.085 1.00 0.00 C ATOM 541 CD2 LEU A 31 3.356 -2.003 -1.690 1.00 0.00 C ATOM 0 H LEU A 31 4.929 -3.039 2.772 1.00 0.00 H new ATOM 0 HA LEU A 31 2.961 -1.165 2.457 1.00 0.00 H new ATOM 0 HB2 LEU A 31 4.485 -1.629 0.689 1.00 0.00 H new ATOM 0 HB3 LEU A 31 4.044 -3.325 0.637 1.00 0.00 H new ATOM 0 HG LEU A 31 1.904 -2.822 -0.361 1.00 0.00 H new ATOM 0 HD11 LEU A 31 1.218 -0.518 -0.894 1.00 0.00 H new ATOM 0 HD12 LEU A 31 1.383 -0.769 0.860 1.00 0.00 H new ATOM 0 HD13 LEU A 31 2.649 0.103 -0.037 1.00 0.00 H new ATOM 0 HD21 LEU A 31 2.632 -1.793 -2.478 1.00 0.00 H new ATOM 0 HD22 LEU A 31 4.122 -1.228 -1.685 1.00 0.00 H new ATOM 0 HD23 LEU A 31 3.821 -2.972 -1.873 1.00 0.00 H new ATOM 553 N GLY A 32 1.737 -4.223 2.159 1.00 0.00 N ATOM 554 CA GLY A 32 0.508 -4.982 2.222 1.00 0.00 C ATOM 555 C GLY A 32 -0.128 -4.933 3.595 1.00 0.00 C ATOM 556 O GLY A 32 -1.317 -4.646 3.725 1.00 0.00 O ATOM 0 H GLY A 32 2.579 -4.782 2.021 1.00 0.00 H new ATOM 0 HA2 GLY A 32 -0.194 -4.594 1.485 1.00 0.00 H new ATOM 0 HA3 GLY A 32 0.710 -6.019 1.954 1.00 0.00 H new ATOM 560 N HIS A 33 0.668 -5.209 4.623 1.00 0.00 N ATOM 561 CA HIS A 33 0.172 -5.188 5.993 1.00 0.00 C ATOM 562 C HIS A 33 -0.422 -3.823 6.323 1.00 0.00 C ATOM 563 O HIS A 33 -1.446 -3.728 7.004 1.00 0.00 O ATOM 564 CB HIS A 33 1.296 -5.526 6.975 1.00 0.00 C ATOM 565 CG HIS A 33 1.598 -6.991 7.056 1.00 0.00 C ATOM 566 ND1 HIS A 33 2.099 -7.595 8.190 1.00 0.00 N ATOM 567 CD2 HIS A 33 1.467 -7.974 6.134 1.00 0.00 C ATOM 568 CE1 HIS A 33 2.262 -8.886 7.963 1.00 0.00 C ATOM 569 NE2 HIS A 33 1.885 -9.142 6.723 1.00 0.00 N ATOM 0 H HIS A 33 1.655 -5.449 4.533 1.00 0.00 H new ATOM 0 HA HIS A 33 -0.610 -5.941 6.087 1.00 0.00 H new ATOM 0 HB2 HIS A 33 2.199 -4.993 6.679 1.00 0.00 H new ATOM 0 HB3 HIS A 33 1.023 -5.164 7.966 1.00 0.00 H new ATOM 0 HD1 HIS A 33 2.311 -7.119 9.067 1.00 0.00 H new ATOM 0 HD2 HIS A 33 1.102 -7.861 5.124 1.00 0.00 H new ATOM 0 HE1 HIS A 33 2.639 -9.609 8.671 1.00 0.00 H new ATOM 578 N ARG A 34 0.208 -2.768 5.813 1.00 0.00 N ATOM 579 CA ARG A 34 -0.282 -1.418 6.037 1.00 0.00 C ATOM 580 C ARG A 34 -1.490 -1.183 5.149 1.00 0.00 C ATOM 581 O ARG A 34 -2.513 -0.654 5.588 1.00 0.00 O ATOM 582 CB ARG A 34 0.811 -0.390 5.750 1.00 0.00 C ATOM 583 CG ARG A 34 1.794 -0.224 6.900 1.00 0.00 C ATOM 584 CD ARG A 34 3.210 -0.588 6.485 1.00 0.00 C ATOM 585 NE ARG A 34 4.200 0.320 7.058 1.00 0.00 N ATOM 586 CZ ARG A 34 4.437 0.433 8.362 1.00 0.00 C ATOM 587 NH1 ARG A 34 3.765 -0.309 9.234 1.00 0.00 N ATOM 588 NH2 ARG A 34 5.351 1.289 8.798 1.00 0.00 N ATOM 0 H ARG A 34 1.054 -2.825 5.246 1.00 0.00 H new ATOM 0 HA ARG A 34 -0.571 -1.304 7.082 1.00 0.00 H new ATOM 0 HB2 ARG A 34 1.356 -0.689 4.855 1.00 0.00 H new ATOM 0 HB3 ARG A 34 0.348 0.573 5.534 1.00 0.00 H new ATOM 0 HG2 ARG A 34 1.772 0.807 7.252 1.00 0.00 H new ATOM 0 HG3 ARG A 34 1.486 -0.853 7.736 1.00 0.00 H new ATOM 0 HD2 ARG A 34 3.429 -1.608 6.800 1.00 0.00 H new ATOM 0 HD3 ARG A 34 3.286 -0.567 5.398 1.00 0.00 H new ATOM 0 HE ARG A 34 4.742 0.902 6.420 1.00 0.00 H new ATOM 0 HH11 ARG A 34 3.062 -0.971 8.905 1.00 0.00 H new ATOM 0 HH12 ARG A 34 3.952 -0.217 10.233 1.00 0.00 H new ATOM 0 HH21 ARG A 34 5.872 1.861 8.133 1.00 0.00 H new ATOM 0 HH22 ARG A 34 5.533 1.376 9.798 1.00 0.00 H new ATOM 602 N VAL A 35 -1.374 -1.622 3.900 1.00 0.00 N ATOM 603 CA VAL A 35 -2.471 -1.502 2.950 1.00 0.00 C ATOM 604 C VAL A 35 -3.733 -2.105 3.561 1.00 0.00 C ATOM 605 O VAL A 35 -4.801 -1.494 3.544 1.00 0.00 O ATOM 606 CB VAL A 35 -2.143 -2.218 1.621 1.00 0.00 C ATOM 607 CG1 VAL A 35 -3.410 -2.575 0.855 1.00 0.00 C ATOM 608 CG2 VAL A 35 -1.225 -1.356 0.766 1.00 0.00 C ATOM 0 H VAL A 35 -0.534 -2.062 3.524 1.00 0.00 H new ATOM 0 HA VAL A 35 -2.627 -0.445 2.734 1.00 0.00 H new ATOM 0 HB VAL A 35 -1.627 -3.148 1.860 1.00 0.00 H new ATOM 0 HG11 VAL A 35 -3.144 -3.077 -0.075 1.00 0.00 H new ATOM 0 HG12 VAL A 35 -4.027 -3.238 1.462 1.00 0.00 H new ATOM 0 HG13 VAL A 35 -3.967 -1.666 0.629 1.00 0.00 H new ATOM 0 HG21 VAL A 35 -1.003 -1.875 -0.167 1.00 0.00 H new ATOM 0 HG22 VAL A 35 -1.716 -0.408 0.546 1.00 0.00 H new ATOM 0 HG23 VAL A 35 -0.297 -1.167 1.305 1.00 0.00 H new ATOM 618 N LEU A 36 -3.586 -3.304 4.123 1.00 0.00 N ATOM 619 CA LEU A 36 -4.698 -3.989 4.769 1.00 0.00 C ATOM 620 C LEU A 36 -5.364 -3.060 5.776 1.00 0.00 C ATOM 621 O LEU A 36 -6.589 -2.962 5.835 1.00 0.00 O ATOM 622 CB LEU A 36 -4.212 -5.253 5.488 1.00 0.00 C ATOM 623 CG LEU A 36 -3.908 -6.457 4.590 1.00 0.00 C ATOM 624 CD1 LEU A 36 -3.767 -7.718 5.426 1.00 0.00 C ATOM 625 CD2 LEU A 36 -4.995 -6.639 3.545 1.00 0.00 C ATOM 0 H LEU A 36 -2.706 -3.819 4.143 1.00 0.00 H new ATOM 0 HA LEU A 36 -5.417 -4.275 4.001 1.00 0.00 H new ATOM 0 HB2 LEU A 36 -3.311 -5.005 6.049 1.00 0.00 H new ATOM 0 HB3 LEU A 36 -4.969 -5.548 6.215 1.00 0.00 H new ATOM 0 HG LEU A 36 -2.966 -6.269 4.076 1.00 0.00 H new ATOM 0 HD11 LEU A 36 -3.551 -8.565 4.774 1.00 0.00 H new ATOM 0 HD12 LEU A 36 -2.952 -7.592 6.139 1.00 0.00 H new ATOM 0 HD13 LEU A 36 -4.696 -7.903 5.965 1.00 0.00 H new ATOM 0 HD21 LEU A 36 -4.758 -7.499 2.919 1.00 0.00 H new ATOM 0 HD22 LEU A 36 -5.952 -6.803 4.040 1.00 0.00 H new ATOM 0 HD23 LEU A 36 -5.056 -5.745 2.924 1.00 0.00 H new ATOM 637 N GLY A 37 -4.538 -2.372 6.558 1.00 0.00 N ATOM 638 CA GLY A 37 -5.051 -1.446 7.551 1.00 0.00 C ATOM 639 C GLY A 37 -5.932 -0.377 6.936 1.00 0.00 C ATOM 640 O GLY A 37 -6.808 0.173 7.599 1.00 0.00 O ATOM 0 H GLY A 37 -3.521 -2.440 6.521 1.00 0.00 H new ATOM 0 HA2 GLY A 37 -5.620 -1.997 8.299 1.00 0.00 H new ATOM 0 HA3 GLY A 37 -4.217 -0.973 8.069 1.00 0.00 H new ATOM 644 N LEU A 38 -5.705 -0.095 5.658 1.00 0.00 N ATOM 645 CA LEU A 38 -6.491 0.903 4.943 1.00 0.00 C ATOM 646 C LEU A 38 -7.836 0.319 4.545 1.00 0.00 C ATOM 647 O LEU A 38 -8.850 1.017 4.514 1.00 0.00 O ATOM 648 CB LEU A 38 -5.741 1.382 3.701 1.00 0.00 C ATOM 649 CG LEU A 38 -4.389 2.040 3.977 1.00 0.00 C ATOM 650 CD1 LEU A 38 -3.773 2.543 2.686 1.00 0.00 C ATOM 651 CD2 LEU A 38 -4.540 3.178 4.976 1.00 0.00 C ATOM 0 H LEU A 38 -4.982 -0.544 5.096 1.00 0.00 H new ATOM 0 HA LEU A 38 -6.654 1.755 5.602 1.00 0.00 H new ATOM 0 HB2 LEU A 38 -5.585 0.531 3.038 1.00 0.00 H new ATOM 0 HB3 LEU A 38 -6.371 2.092 3.166 1.00 0.00 H new ATOM 0 HG LEU A 38 -3.724 1.292 4.409 1.00 0.00 H new ATOM 0 HD11 LEU A 38 -2.811 3.009 2.899 1.00 0.00 H new ATOM 0 HD12 LEU A 38 -3.628 1.707 2.002 1.00 0.00 H new ATOM 0 HD13 LEU A 38 -4.437 3.276 2.227 1.00 0.00 H new ATOM 0 HD21 LEU A 38 -3.567 3.633 5.159 1.00 0.00 H new ATOM 0 HD22 LEU A 38 -5.221 3.928 4.573 1.00 0.00 H new ATOM 0 HD23 LEU A 38 -4.941 2.789 5.912 1.00 0.00 H new ATOM 663 N ILE A 39 -7.832 -0.975 4.253 1.00 0.00 N ATOM 664 CA ILE A 39 -9.040 -1.684 3.867 1.00 0.00 C ATOM 665 C ILE A 39 -9.766 -2.211 5.102 1.00 0.00 C ATOM 666 O ILE A 39 -10.950 -2.541 5.048 1.00 0.00 O ATOM 667 CB ILE A 39 -8.724 -2.852 2.890 1.00 0.00 C ATOM 668 CG1 ILE A 39 -8.844 -4.216 3.585 1.00 0.00 C ATOM 669 CG2 ILE A 39 -7.332 -2.691 2.294 1.00 0.00 C ATOM 670 CD1 ILE A 39 -8.389 -5.379 2.727 1.00 0.00 C ATOM 0 H ILE A 39 -6.995 -1.558 4.277 1.00 0.00 H new ATOM 0 HA ILE A 39 -9.689 -0.978 3.349 1.00 0.00 H new ATOM 0 HB ILE A 39 -9.461 -2.815 2.087 1.00 0.00 H new ATOM 0 HG12 ILE A 39 -8.255 -4.200 4.502 1.00 0.00 H new ATOM 0 HG13 ILE A 39 -9.882 -4.375 3.876 1.00 0.00 H new ATOM 0 HG21 ILE A 39 -7.130 -3.518 1.613 1.00 0.00 H new ATOM 0 HG22 ILE A 39 -7.277 -1.749 1.748 1.00 0.00 H new ATOM 0 HG23 ILE A 39 -6.592 -2.690 3.094 1.00 0.00 H new ATOM 0 HD11 ILE A 39 -8.503 -6.309 3.284 1.00 0.00 H new ATOM 0 HD12 ILE A 39 -8.995 -5.422 1.822 1.00 0.00 H new ATOM 0 HD13 ILE A 39 -7.342 -5.244 2.457 1.00 0.00 H new ATOM 682 N LYS A 40 -9.037 -2.298 6.214 1.00 0.00 N ATOM 683 CA LYS A 40 -9.604 -2.797 7.463 1.00 0.00 C ATOM 684 C LYS A 40 -10.849 -2.003 7.877 1.00 0.00 C ATOM 685 O LYS A 40 -11.937 -2.569 7.975 1.00 0.00 O ATOM 686 CB LYS A 40 -8.553 -2.774 8.580 1.00 0.00 C ATOM 687 CG LYS A 40 -7.642 -3.995 8.603 1.00 0.00 C ATOM 688 CD LYS A 40 -8.428 -5.295 8.525 1.00 0.00 C ATOM 689 CE LYS A 40 -7.606 -6.472 9.022 1.00 0.00 C ATOM 690 NZ LYS A 40 -7.913 -7.723 8.274 1.00 0.00 N ATOM 0 H LYS A 40 -8.055 -2.030 6.274 1.00 0.00 H new ATOM 0 HA LYS A 40 -9.913 -3.829 7.295 1.00 0.00 H new ATOM 0 HB2 LYS A 40 -7.940 -1.879 8.469 1.00 0.00 H new ATOM 0 HB3 LYS A 40 -9.061 -2.695 9.541 1.00 0.00 H new ATOM 0 HG2 LYS A 40 -6.945 -3.943 7.767 1.00 0.00 H new ATOM 0 HG3 LYS A 40 -7.047 -3.986 9.516 1.00 0.00 H new ATOM 0 HD2 LYS A 40 -9.338 -5.208 9.119 1.00 0.00 H new ATOM 0 HD3 LYS A 40 -8.736 -5.474 7.495 1.00 0.00 H new ATOM 0 HE2 LYS A 40 -6.545 -6.241 8.922 1.00 0.00 H new ATOM 0 HE3 LYS A 40 -7.800 -6.627 10.083 1.00 0.00 H new ATOM 0 HZ1 LYS A 40 -7.331 -8.501 8.645 1.00 0.00 H new ATOM 0 HZ2 LYS A 40 -8.919 -7.958 8.389 1.00 0.00 H new ATOM 0 HZ3 LYS A 40 -7.704 -7.584 7.265 1.00 0.00 H new ATOM 704 N PRO A 41 -10.724 -0.681 8.123 1.00 0.00 N ATOM 705 CA PRO A 41 -11.869 0.147 8.519 1.00 0.00 C ATOM 706 C PRO A 41 -13.023 0.026 7.534 1.00 0.00 C ATOM 707 O PRO A 41 -14.189 0.004 7.928 1.00 0.00 O ATOM 708 CB PRO A 41 -11.311 1.576 8.523 1.00 0.00 C ATOM 709 CG PRO A 41 -9.839 1.417 8.677 1.00 0.00 C ATOM 710 CD PRO A 41 -9.480 0.105 8.032 1.00 0.00 C ATOM 0 HA PRO A 41 -12.276 -0.157 9.484 1.00 0.00 H new ATOM 0 HB2 PRO A 41 -11.557 2.098 7.598 1.00 0.00 H new ATOM 0 HB3 PRO A 41 -11.732 2.161 9.340 1.00 0.00 H new ATOM 0 HG2 PRO A 41 -9.308 2.241 8.201 1.00 0.00 H new ATOM 0 HG3 PRO A 41 -9.557 1.422 9.730 1.00 0.00 H new ATOM 0 HD2 PRO A 41 -9.167 0.240 6.997 1.00 0.00 H new ATOM 0 HD3 PRO A 41 -8.657 -0.385 8.553 1.00 0.00 H new ATOM 718 N LEU A 42 -12.694 -0.071 6.251 1.00 0.00 N ATOM 719 CA LEU A 42 -13.712 -0.207 5.221 1.00 0.00 C ATOM 720 C LEU A 42 -14.503 -1.486 5.441 1.00 0.00 C ATOM 721 O LEU A 42 -15.719 -1.514 5.270 1.00 0.00 O ATOM 722 CB LEU A 42 -13.084 -0.229 3.831 1.00 0.00 C ATOM 723 CG LEU A 42 -12.064 0.872 3.553 1.00 0.00 C ATOM 724 CD1 LEU A 42 -11.268 0.537 2.306 1.00 0.00 C ATOM 725 CD2 LEU A 42 -12.758 2.219 3.405 1.00 0.00 C ATOM 0 H LEU A 42 -11.735 -0.058 5.902 1.00 0.00 H new ATOM 0 HA LEU A 42 -14.379 0.653 5.287 1.00 0.00 H new ATOM 0 HB2 LEU A 42 -12.599 -1.194 3.686 1.00 0.00 H new ATOM 0 HB3 LEU A 42 -13.881 -0.158 3.090 1.00 0.00 H new ATOM 0 HG LEU A 42 -11.378 0.938 4.397 1.00 0.00 H new ATOM 0 HD11 LEU A 42 -10.542 1.327 2.114 1.00 0.00 H new ATOM 0 HD12 LEU A 42 -10.745 -0.408 2.451 1.00 0.00 H new ATOM 0 HD13 LEU A 42 -11.944 0.451 1.455 1.00 0.00 H new ATOM 0 HD21 LEU A 42 -12.015 2.991 3.207 1.00 0.00 H new ATOM 0 HD22 LEU A 42 -13.465 2.175 2.576 1.00 0.00 H new ATOM 0 HD23 LEU A 42 -13.292 2.456 4.325 1.00 0.00 H new ATOM 737 N GLU A 43 -13.802 -2.546 5.830 1.00 0.00 N ATOM 738 CA GLU A 43 -14.440 -3.827 6.084 1.00 0.00 C ATOM 739 C GLU A 43 -15.622 -3.647 7.030 1.00 0.00 C ATOM 740 O GLU A 43 -16.607 -4.376 6.958 1.00 0.00 O ATOM 741 CB GLU A 43 -13.440 -4.823 6.673 1.00 0.00 C ATOM 742 CG GLU A 43 -12.254 -5.105 5.765 1.00 0.00 C ATOM 743 CD GLU A 43 -11.806 -6.553 5.828 1.00 0.00 C ATOM 744 OE1 GLU A 43 -11.169 -6.935 6.832 1.00 0.00 O ATOM 745 OE2 GLU A 43 -12.090 -7.303 4.871 1.00 0.00 O ATOM 0 H GLU A 43 -12.792 -2.540 5.975 1.00 0.00 H new ATOM 0 HA GLU A 43 -14.802 -4.224 5.136 1.00 0.00 H new ATOM 0 HB2 GLU A 43 -13.074 -4.438 7.625 1.00 0.00 H new ATOM 0 HB3 GLU A 43 -13.955 -5.760 6.885 1.00 0.00 H new ATOM 0 HG2 GLU A 43 -12.519 -4.854 4.738 1.00 0.00 H new ATOM 0 HG3 GLU A 43 -11.423 -4.458 6.047 1.00 0.00 H new ATOM 752 N MET A 44 -15.523 -2.659 7.913 1.00 0.00 N ATOM 753 CA MET A 44 -16.594 -2.379 8.857 1.00 0.00 C ATOM 754 C MET A 44 -17.672 -1.520 8.199 1.00 0.00 C ATOM 755 O MET A 44 -18.831 -1.534 8.614 1.00 0.00 O ATOM 756 CB MET A 44 -16.042 -1.671 10.095 1.00 0.00 C ATOM 757 CG MET A 44 -14.852 -2.380 10.721 1.00 0.00 C ATOM 758 SD MET A 44 -13.703 -1.240 11.513 1.00 0.00 S ATOM 759 CE MET A 44 -12.492 -2.384 12.170 1.00 0.00 C ATOM 0 H MET A 44 -14.715 -2.042 7.993 1.00 0.00 H new ATOM 0 HA MET A 44 -17.039 -3.326 9.164 1.00 0.00 H new ATOM 0 HB2 MET A 44 -15.748 -0.657 9.823 1.00 0.00 H new ATOM 0 HB3 MET A 44 -16.835 -1.585 10.838 1.00 0.00 H new ATOM 0 HG2 MET A 44 -15.209 -3.100 11.457 1.00 0.00 H new ATOM 0 HG3 MET A 44 -14.325 -2.945 9.952 1.00 0.00 H new ATOM 0 HE1 MET A 44 -11.712 -1.829 12.691 1.00 0.00 H new ATOM 0 HE2 MET A 44 -12.978 -3.068 12.866 1.00 0.00 H new ATOM 0 HE3 MET A 44 -12.048 -2.953 11.353 1.00 0.00 H new ATOM 769 N LEU A 45 -17.273 -0.767 7.176 1.00 0.00 N ATOM 770 CA LEU A 45 -18.191 0.113 6.456 1.00 0.00 C ATOM 771 C LEU A 45 -18.840 -0.585 5.259 1.00 0.00 C ATOM 772 O LEU A 45 -20.065 -0.672 5.170 1.00 0.00 O ATOM 773 CB LEU A 45 -17.445 1.358 5.972 1.00 0.00 C ATOM 774 CG LEU A 45 -17.527 2.567 6.903 1.00 0.00 C ATOM 775 CD1 LEU A 45 -16.368 2.560 7.886 1.00 0.00 C ATOM 776 CD2 LEU A 45 -17.536 3.855 6.095 1.00 0.00 C ATOM 0 H LEU A 45 -16.315 -0.749 6.826 1.00 0.00 H new ATOM 0 HA LEU A 45 -18.983 0.393 7.150 1.00 0.00 H new ATOM 0 HB2 LEU A 45 -16.396 1.101 5.828 1.00 0.00 H new ATOM 0 HB3 LEU A 45 -17.840 1.643 4.997 1.00 0.00 H new ATOM 0 HG LEU A 45 -18.456 2.508 7.469 1.00 0.00 H new ATOM 0 HD11 LEU A 45 -16.442 3.428 8.542 1.00 0.00 H new ATOM 0 HD12 LEU A 45 -16.404 1.649 8.484 1.00 0.00 H new ATOM 0 HD13 LEU A 45 -15.426 2.598 7.338 1.00 0.00 H new ATOM 0 HD21 LEU A 45 -17.595 4.708 6.771 1.00 0.00 H new ATOM 0 HD22 LEU A 45 -16.621 3.921 5.506 1.00 0.00 H new ATOM 0 HD23 LEU A 45 -18.398 3.860 5.428 1.00 0.00 H new ATOM 788 N GLN A 46 -18.014 -1.049 4.324 1.00 0.00 N ATOM 789 CA GLN A 46 -18.512 -1.700 3.115 1.00 0.00 C ATOM 790 C GLN A 46 -19.104 -3.084 3.391 1.00 0.00 C ATOM 791 O GLN A 46 -20.189 -3.403 2.905 1.00 0.00 O ATOM 792 CB GLN A 46 -17.397 -1.804 2.070 1.00 0.00 C ATOM 793 CG GLN A 46 -16.303 -2.800 2.426 1.00 0.00 C ATOM 794 CD GLN A 46 -16.635 -4.212 1.985 1.00 0.00 C ATOM 795 OE1 GLN A 46 -17.402 -4.416 1.045 1.00 0.00 O ATOM 796 NE2 GLN A 46 -16.055 -5.196 2.663 1.00 0.00 N ATOM 0 H GLN A 46 -16.997 -0.986 4.380 1.00 0.00 H new ATOM 0 HA GLN A 46 -19.319 -1.077 2.729 1.00 0.00 H new ATOM 0 HB2 GLN A 46 -17.835 -2.089 1.114 1.00 0.00 H new ATOM 0 HB3 GLN A 46 -16.948 -0.820 1.934 1.00 0.00 H new ATOM 0 HG2 GLN A 46 -15.368 -2.488 1.961 1.00 0.00 H new ATOM 0 HG3 GLN A 46 -16.143 -2.788 3.504 1.00 0.00 H new ATOM 0 HE21 GLN A 46 -15.425 -4.981 3.436 1.00 0.00 H new ATOM 0 HE22 GLN A 46 -16.239 -6.167 2.411 1.00 0.00 H new ATOM 805 N ASP A 47 -18.393 -3.911 4.154 1.00 0.00 N ATOM 806 CA ASP A 47 -18.876 -5.259 4.453 1.00 0.00 C ATOM 807 C ASP A 47 -20.248 -5.227 5.118 1.00 0.00 C ATOM 808 O ASP A 47 -21.155 -5.959 4.722 1.00 0.00 O ATOM 809 CB ASP A 47 -17.882 -6.006 5.342 1.00 0.00 C ATOM 810 CG ASP A 47 -17.882 -7.499 5.079 1.00 0.00 C ATOM 811 OD1 ASP A 47 -18.918 -8.147 5.341 1.00 0.00 O ATOM 812 OD2 ASP A 47 -16.848 -8.019 4.613 1.00 0.00 O ATOM 0 H ASP A 47 -17.492 -3.677 4.572 1.00 0.00 H new ATOM 0 HA ASP A 47 -18.970 -5.788 3.505 1.00 0.00 H new ATOM 0 HB2 ASP A 47 -16.880 -5.610 5.175 1.00 0.00 H new ATOM 0 HB3 ASP A 47 -18.126 -5.824 6.389 1.00 0.00 H new ATOM 928 N SER A 55 -21.049 8.279 -4.162 1.00 0.00 N ATOM 929 CA SER A 55 -20.836 9.643 -4.634 1.00 0.00 C ATOM 930 C SER A 55 -19.741 9.686 -5.694 1.00 0.00 C ATOM 931 O SER A 55 -18.817 8.874 -5.680 1.00 0.00 O ATOM 932 CB SER A 55 -20.466 10.558 -3.464 1.00 0.00 C ATOM 933 OG SER A 55 -20.299 11.897 -3.898 1.00 0.00 O ATOM 0 HA SER A 55 -21.765 9.996 -5.082 1.00 0.00 H new ATOM 0 HB2 SER A 55 -21.245 10.513 -2.703 1.00 0.00 H new ATOM 0 HB3 SER A 55 -19.545 10.205 -2.999 1.00 0.00 H new ATOM 0 HG SER A 55 -19.770 12.391 -3.238 1.00 0.00 H new ATOM 939 N GLU A 56 -19.852 10.640 -6.614 1.00 0.00 N ATOM 940 CA GLU A 56 -18.872 10.789 -7.683 1.00 0.00 C ATOM 941 C GLU A 56 -17.476 11.025 -7.113 1.00 0.00 C ATOM 942 O GLU A 56 -16.480 10.576 -7.679 1.00 0.00 O ATOM 943 CB GLU A 56 -19.262 11.945 -8.605 1.00 0.00 C ATOM 944 CG GLU A 56 -18.332 12.115 -9.795 1.00 0.00 C ATOM 945 CD GLU A 56 -18.730 13.278 -10.684 1.00 0.00 C ATOM 946 OE1 GLU A 56 -19.919 13.362 -11.053 1.00 0.00 O ATOM 947 OE2 GLU A 56 -17.851 14.104 -11.009 1.00 0.00 O ATOM 0 H GLU A 56 -20.611 11.321 -6.640 1.00 0.00 H new ATOM 0 HA GLU A 56 -18.858 9.864 -8.259 1.00 0.00 H new ATOM 0 HB2 GLU A 56 -20.277 11.783 -8.968 1.00 0.00 H new ATOM 0 HB3 GLU A 56 -19.274 12.870 -8.029 1.00 0.00 H new ATOM 0 HG2 GLU A 56 -17.314 12.268 -9.437 1.00 0.00 H new ATOM 0 HG3 GLU A 56 -18.329 11.197 -10.383 1.00 0.00 H new ATOM 954 N LYS A 57 -17.413 11.731 -5.990 1.00 0.00 N ATOM 955 CA LYS A 57 -16.142 12.027 -5.342 1.00 0.00 C ATOM 956 C LYS A 57 -15.628 10.812 -4.577 1.00 0.00 C ATOM 957 O LYS A 57 -14.442 10.488 -4.630 1.00 0.00 O ATOM 958 CB LYS A 57 -16.295 13.216 -4.392 1.00 0.00 C ATOM 959 CG LYS A 57 -16.228 14.564 -5.091 1.00 0.00 C ATOM 960 CD LYS A 57 -14.821 15.139 -5.061 1.00 0.00 C ATOM 961 CE LYS A 57 -14.636 16.098 -3.895 1.00 0.00 C ATOM 962 NZ LYS A 57 -13.199 16.288 -3.556 1.00 0.00 N ATOM 0 H LYS A 57 -18.229 12.109 -5.509 1.00 0.00 H new ATOM 0 HA LYS A 57 -15.417 12.281 -6.116 1.00 0.00 H new ATOM 0 HB2 LYS A 57 -17.248 13.133 -3.870 1.00 0.00 H new ATOM 0 HB3 LYS A 57 -15.512 13.169 -3.635 1.00 0.00 H new ATOM 0 HG2 LYS A 57 -16.556 14.455 -6.125 1.00 0.00 H new ATOM 0 HG3 LYS A 57 -16.916 15.259 -4.610 1.00 0.00 H new ATOM 0 HD2 LYS A 57 -14.097 14.328 -4.985 1.00 0.00 H new ATOM 0 HD3 LYS A 57 -14.619 15.660 -5.997 1.00 0.00 H new ATOM 0 HE2 LYS A 57 -15.081 17.062 -4.143 1.00 0.00 H new ATOM 0 HE3 LYS A 57 -15.167 15.716 -3.023 1.00 0.00 H new ATOM 0 HZ1 LYS A 57 -13.115 16.948 -2.757 1.00 0.00 H new ATOM 0 HZ2 LYS A 57 -12.780 15.373 -3.295 1.00 0.00 H new ATOM 0 HZ3 LYS A 57 -12.696 16.676 -4.380 1.00 0.00 H new ATOM 976 N LEU A 58 -16.530 10.137 -3.871 1.00 0.00 N ATOM 977 CA LEU A 58 -16.168 8.955 -3.100 1.00 0.00 C ATOM 978 C LEU A 58 -15.582 7.883 -4.009 1.00 0.00 C ATOM 979 O LEU A 58 -14.478 7.389 -3.774 1.00 0.00 O ATOM 980 CB LEU A 58 -17.391 8.405 -2.362 1.00 0.00 C ATOM 981 CG LEU A 58 -17.174 7.073 -1.640 1.00 0.00 C ATOM 982 CD1 LEU A 58 -15.924 7.129 -0.775 1.00 0.00 C ATOM 983 CD2 LEU A 58 -18.391 6.722 -0.797 1.00 0.00 C ATOM 0 H LEU A 58 -17.517 10.389 -3.818 1.00 0.00 H new ATOM 0 HA LEU A 58 -15.414 9.242 -2.367 1.00 0.00 H new ATOM 0 HB2 LEU A 58 -17.718 9.146 -1.633 1.00 0.00 H new ATOM 0 HB3 LEU A 58 -18.203 8.283 -3.079 1.00 0.00 H new ATOM 0 HG LEU A 58 -17.036 6.294 -2.390 1.00 0.00 H new ATOM 0 HD11 LEU A 58 -15.788 6.173 -0.270 1.00 0.00 H new ATOM 0 HD12 LEU A 58 -15.057 7.335 -1.402 1.00 0.00 H new ATOM 0 HD13 LEU A 58 -16.031 7.919 -0.032 1.00 0.00 H new ATOM 0 HD21 LEU A 58 -18.221 5.772 -0.290 1.00 0.00 H new ATOM 0 HD22 LEU A 58 -18.558 7.504 -0.056 1.00 0.00 H new ATOM 0 HD23 LEU A 58 -19.267 6.638 -1.440 1.00 0.00 H new ATOM 995 N THR A 59 -16.324 7.532 -5.054 1.00 0.00 N ATOM 996 CA THR A 59 -15.871 6.524 -6.004 1.00 0.00 C ATOM 997 C THR A 59 -14.533 6.936 -6.611 1.00 0.00 C ATOM 998 O THR A 59 -13.687 6.094 -6.904 1.00 0.00 O ATOM 999 CB THR A 59 -16.913 6.324 -7.109 1.00 0.00 C ATOM 1000 OG1 THR A 59 -16.674 5.115 -7.809 1.00 0.00 O ATOM 1001 CG2 THR A 59 -16.938 7.444 -8.126 1.00 0.00 C ATOM 0 H THR A 59 -17.239 7.930 -5.264 1.00 0.00 H new ATOM 0 HA THR A 59 -15.741 5.581 -5.474 1.00 0.00 H new ATOM 0 HB THR A 59 -17.874 6.303 -6.595 1.00 0.00 H new ATOM 0 HG1 THR A 59 -17.350 5.004 -8.510 1.00 0.00 H new ATOM 0 HG21 THR A 59 -17.699 7.236 -8.878 1.00 0.00 H new ATOM 0 HG22 THR A 59 -17.170 8.384 -7.626 1.00 0.00 H new ATOM 0 HG23 THR A 59 -15.963 7.520 -8.608 1.00 0.00 H new ATOM 1009 N THR A 60 -14.351 8.242 -6.787 1.00 0.00 N ATOM 1010 CA THR A 60 -13.114 8.771 -7.348 1.00 0.00 C ATOM 1011 C THR A 60 -11.940 8.438 -6.434 1.00 0.00 C ATOM 1012 O THR A 60 -10.855 8.094 -6.901 1.00 0.00 O ATOM 1013 CB THR A 60 -13.236 10.287 -7.568 1.00 0.00 C ATOM 1014 OG1 THR A 60 -12.907 10.624 -8.904 1.00 0.00 O ATOM 1015 CG2 THR A 60 -12.354 11.120 -6.660 1.00 0.00 C ATOM 0 H THR A 60 -15.044 8.952 -6.549 1.00 0.00 H new ATOM 0 HA THR A 60 -12.932 8.305 -8.316 1.00 0.00 H new ATOM 0 HB THR A 60 -14.275 10.518 -7.335 1.00 0.00 H new ATOM 0 HG1 THR A 60 -12.992 11.593 -9.027 1.00 0.00 H new ATOM 0 HG21 THR A 60 -12.501 12.177 -6.880 1.00 0.00 H new ATOM 0 HG22 THR A 60 -12.617 10.926 -5.620 1.00 0.00 H new ATOM 0 HG23 THR A 60 -11.309 10.856 -6.826 1.00 0.00 H new ATOM 1023 N ALA A 61 -12.175 8.518 -5.126 1.00 0.00 N ATOM 1024 CA ALA A 61 -11.146 8.199 -4.146 1.00 0.00 C ATOM 1025 C ALA A 61 -10.889 6.707 -4.154 1.00 0.00 C ATOM 1026 O ALA A 61 -9.753 6.251 -4.284 1.00 0.00 O ATOM 1027 CB ALA A 61 -11.569 8.647 -2.761 1.00 0.00 C ATOM 0 H ALA A 61 -13.068 8.801 -4.723 1.00 0.00 H new ATOM 0 HA ALA A 61 -10.230 8.728 -4.410 1.00 0.00 H new ATOM 0 HB1 ALA A 61 -10.786 8.399 -2.044 1.00 0.00 H new ATOM 0 HB2 ALA A 61 -11.733 9.725 -2.761 1.00 0.00 H new ATOM 0 HB3 ALA A 61 -12.492 8.140 -2.481 1.00 0.00 H new ATOM 1033 N MET A 62 -11.968 5.947 -4.041 1.00 0.00 N ATOM 1034 CA MET A 62 -11.882 4.503 -4.066 1.00 0.00 C ATOM 1035 C MET A 62 -11.313 4.059 -5.408 1.00 0.00 C ATOM 1036 O MET A 62 -10.692 3.002 -5.515 1.00 0.00 O ATOM 1037 CB MET A 62 -13.260 3.892 -3.834 1.00 0.00 C ATOM 1038 CG MET A 62 -13.932 4.388 -2.563 1.00 0.00 C ATOM 1039 SD MET A 62 -15.685 3.983 -2.500 1.00 0.00 S ATOM 1040 CE MET A 62 -15.649 2.308 -3.122 1.00 0.00 C ATOM 0 H MET A 62 -12.914 6.312 -3.931 1.00 0.00 H new ATOM 0 HA MET A 62 -11.222 4.160 -3.269 1.00 0.00 H new ATOM 0 HB2 MET A 62 -13.899 4.120 -4.687 1.00 0.00 H new ATOM 0 HB3 MET A 62 -13.166 2.807 -3.787 1.00 0.00 H new ATOM 0 HG2 MET A 62 -13.431 3.952 -1.698 1.00 0.00 H new ATOM 0 HG3 MET A 62 -13.810 5.469 -2.491 1.00 0.00 H new ATOM 0 HE1 MET A 62 -16.435 1.725 -2.642 1.00 0.00 H new ATOM 0 HE2 MET A 62 -15.811 2.317 -4.200 1.00 0.00 H new ATOM 0 HE3 MET A 62 -14.680 1.860 -2.904 1.00 0.00 H new ATOM 1050 N ASN A 63 -11.502 4.900 -6.426 1.00 0.00 N ATOM 1051 CA ASN A 63 -10.976 4.613 -7.750 1.00 0.00 C ATOM 1052 C ASN A 63 -9.467 4.758 -7.714 1.00 0.00 C ATOM 1053 O ASN A 63 -8.734 3.816 -8.016 1.00 0.00 O ATOM 1054 CB ASN A 63 -11.575 5.561 -8.792 1.00 0.00 C ATOM 1055 CG ASN A 63 -12.860 5.028 -9.392 1.00 0.00 C ATOM 1056 OD1 ASN A 63 -12.944 3.862 -9.778 1.00 0.00 O ATOM 1057 ND2 ASN A 63 -13.872 5.884 -9.477 1.00 0.00 N ATOM 0 H ASN A 63 -12.013 5.780 -6.354 1.00 0.00 H new ATOM 0 HA ASN A 63 -11.246 3.596 -8.033 1.00 0.00 H new ATOM 0 HB2 ASN A 63 -11.768 6.529 -8.329 1.00 0.00 H new ATOM 0 HB3 ASN A 63 -10.848 5.727 -9.587 1.00 0.00 H new ATOM 0 HD21 ASN A 63 -14.762 5.584 -9.874 1.00 0.00 H new ATOM 0 HD22 ASN A 63 -13.759 6.842 -9.145 1.00 0.00 H new ATOM 1064 N ARG A 64 -9.006 5.936 -7.304 1.00 0.00 N ATOM 1065 CA ARG A 64 -7.585 6.185 -7.185 1.00 0.00 C ATOM 1066 C ARG A 64 -6.991 5.223 -6.163 1.00 0.00 C ATOM 1067 O ARG A 64 -5.813 4.883 -6.226 1.00 0.00 O ATOM 1068 CB ARG A 64 -7.336 7.635 -6.780 1.00 0.00 C ATOM 1069 CG ARG A 64 -8.112 8.085 -5.555 1.00 0.00 C ATOM 1070 CD ARG A 64 -8.162 9.602 -5.453 1.00 0.00 C ATOM 1071 NE ARG A 64 -6.875 10.218 -5.771 1.00 0.00 N ATOM 1072 CZ ARG A 64 -6.735 11.479 -6.177 1.00 0.00 C ATOM 1073 NH1 ARG A 64 -7.796 12.265 -6.308 1.00 0.00 N ATOM 1074 NH2 ARG A 64 -5.528 11.956 -6.452 1.00 0.00 N ATOM 0 H ARG A 64 -9.599 6.727 -7.051 1.00 0.00 H new ATOM 0 HA ARG A 64 -7.102 6.019 -8.148 1.00 0.00 H new ATOM 0 HB2 ARG A 64 -6.271 7.769 -6.590 1.00 0.00 H new ATOM 0 HB3 ARG A 64 -7.594 8.283 -7.617 1.00 0.00 H new ATOM 0 HG2 ARG A 64 -9.126 7.689 -5.600 1.00 0.00 H new ATOM 0 HG3 ARG A 64 -7.648 7.674 -4.658 1.00 0.00 H new ATOM 0 HD2 ARG A 64 -8.924 9.985 -6.131 1.00 0.00 H new ATOM 0 HD3 ARG A 64 -8.460 9.887 -4.444 1.00 0.00 H new ATOM 0 HE ARG A 64 -6.034 9.648 -5.676 1.00 0.00 H new ATOM 0 HH11 ARG A 64 -8.727 11.905 -6.097 1.00 0.00 H new ATOM 0 HH12 ARG A 64 -7.681 13.229 -6.619 1.00 0.00 H new ATOM 0 HH21 ARG A 64 -4.708 11.357 -6.353 1.00 0.00 H new ATOM 0 HH22 ARG A 64 -5.420 12.921 -6.763 1.00 0.00 H new ATOM 1088 N PHE A 65 -7.838 4.770 -5.239 1.00 0.00 N ATOM 1089 CA PHE A 65 -7.433 3.820 -4.213 1.00 0.00 C ATOM 1090 C PHE A 65 -7.183 2.459 -4.836 1.00 0.00 C ATOM 1091 O PHE A 65 -6.068 1.938 -4.799 1.00 0.00 O ATOM 1092 CB PHE A 65 -8.527 3.720 -3.154 1.00 0.00 C ATOM 1093 CG PHE A 65 -8.116 3.041 -1.878 1.00 0.00 C ATOM 1094 CD1 PHE A 65 -6.784 2.939 -1.495 1.00 0.00 C ATOM 1095 CD2 PHE A 65 -9.087 2.517 -1.048 1.00 0.00 C ATOM 1096 CE1 PHE A 65 -6.439 2.321 -0.309 1.00 0.00 C ATOM 1097 CE2 PHE A 65 -8.750 1.904 0.138 1.00 0.00 C ATOM 1098 CZ PHE A 65 -7.424 1.803 0.510 1.00 0.00 C ATOM 0 H PHE A 65 -8.817 5.051 -5.184 1.00 0.00 H new ATOM 0 HA PHE A 65 -6.511 4.164 -3.745 1.00 0.00 H new ATOM 0 HB2 PHE A 65 -8.875 4.725 -2.917 1.00 0.00 H new ATOM 0 HB3 PHE A 65 -9.374 3.181 -3.578 1.00 0.00 H new ATOM 0 HD1 PHE A 65 -6.012 3.347 -2.130 1.00 0.00 H new ATOM 0 HD2 PHE A 65 -10.126 2.589 -1.333 1.00 0.00 H new ATOM 0 HE1 PHE A 65 -5.401 2.243 -0.022 1.00 0.00 H new ATOM 0 HE2 PHE A 65 -9.522 1.502 0.777 1.00 0.00 H new ATOM 0 HZ PHE A 65 -7.157 1.320 1.439 1.00 0.00 H new ATOM 1108 N LYS A 66 -8.230 1.895 -5.426 1.00 0.00 N ATOM 1109 CA LYS A 66 -8.133 0.601 -6.081 1.00 0.00 C ATOM 1110 C LYS A 66 -7.006 0.620 -7.111 1.00 0.00 C ATOM 1111 O LYS A 66 -6.264 -0.352 -7.253 1.00 0.00 O ATOM 1112 CB LYS A 66 -9.485 0.252 -6.716 1.00 0.00 C ATOM 1113 CG LYS A 66 -9.405 -0.531 -8.010 1.00 0.00 C ATOM 1114 CD LYS A 66 -9.476 0.385 -9.222 1.00 0.00 C ATOM 1115 CE LYS A 66 -8.176 0.376 -10.012 1.00 0.00 C ATOM 1116 NZ LYS A 66 -8.330 -0.300 -11.330 1.00 0.00 N ATOM 0 H LYS A 66 -9.158 2.317 -5.463 1.00 0.00 H new ATOM 0 HA LYS A 66 -7.893 -0.172 -5.351 1.00 0.00 H new ATOM 0 HB2 LYS A 66 -10.069 -0.323 -5.997 1.00 0.00 H new ATOM 0 HB3 LYS A 66 -10.031 1.177 -6.902 1.00 0.00 H new ATOM 0 HG2 LYS A 66 -8.475 -1.099 -8.036 1.00 0.00 H new ATOM 0 HG3 LYS A 66 -10.220 -1.253 -8.050 1.00 0.00 H new ATOM 0 HD2 LYS A 66 -10.296 0.071 -9.868 1.00 0.00 H new ATOM 0 HD3 LYS A 66 -9.697 1.402 -8.897 1.00 0.00 H new ATOM 0 HE2 LYS A 66 -7.839 1.401 -10.167 1.00 0.00 H new ATOM 0 HE3 LYS A 66 -7.403 -0.130 -9.433 1.00 0.00 H new ATOM 0 HZ1 LYS A 66 -7.422 -0.284 -11.836 1.00 0.00 H new ATOM 0 HZ2 LYS A 66 -8.627 -1.286 -11.182 1.00 0.00 H new ATOM 0 HZ3 LYS A 66 -9.049 0.197 -11.893 1.00 0.00 H new ATOM 1130 N ALA A 67 -6.870 1.742 -7.806 1.00 0.00 N ATOM 1131 CA ALA A 67 -5.816 1.900 -8.797 1.00 0.00 C ATOM 1132 C ALA A 67 -4.470 2.066 -8.100 1.00 0.00 C ATOM 1133 O ALA A 67 -3.471 1.456 -8.490 1.00 0.00 O ATOM 1134 CB ALA A 67 -6.102 3.094 -9.696 1.00 0.00 C ATOM 0 H ALA A 67 -7.477 2.555 -7.701 1.00 0.00 H new ATOM 0 HA ALA A 67 -5.782 1.006 -9.420 1.00 0.00 H new ATOM 0 HB1 ALA A 67 -5.303 3.196 -10.430 1.00 0.00 H new ATOM 0 HB2 ALA A 67 -7.051 2.943 -10.211 1.00 0.00 H new ATOM 0 HB3 ALA A 67 -6.157 3.999 -9.092 1.00 0.00 H new ATOM 1140 N ALA A 68 -4.457 2.885 -7.050 1.00 0.00 N ATOM 1141 CA ALA A 68 -3.243 3.121 -6.279 1.00 0.00 C ATOM 1142 C ALA A 68 -2.665 1.798 -5.801 1.00 0.00 C ATOM 1143 O ALA A 68 -1.447 1.625 -5.733 1.00 0.00 O ATOM 1144 CB ALA A 68 -3.527 4.044 -5.099 1.00 0.00 C ATOM 0 H ALA A 68 -5.274 3.395 -6.716 1.00 0.00 H new ATOM 0 HA ALA A 68 -2.510 3.610 -6.920 1.00 0.00 H new ATOM 0 HB1 ALA A 68 -2.608 4.208 -4.536 1.00 0.00 H new ATOM 0 HB2 ALA A 68 -3.903 4.999 -5.466 1.00 0.00 H new ATOM 0 HB3 ALA A 68 -4.273 3.586 -4.450 1.00 0.00 H new ATOM 1150 N LEU A 69 -3.551 0.859 -5.491 1.00 0.00 N ATOM 1151 CA LEU A 69 -3.136 -0.459 -5.043 1.00 0.00 C ATOM 1152 C LEU A 69 -2.362 -1.158 -6.145 1.00 0.00 C ATOM 1153 O LEU A 69 -1.260 -1.657 -5.922 1.00 0.00 O ATOM 1154 CB LEU A 69 -4.352 -1.289 -4.647 1.00 0.00 C ATOM 1155 CG LEU A 69 -4.856 -1.029 -3.233 1.00 0.00 C ATOM 1156 CD1 LEU A 69 -6.360 -1.234 -3.148 1.00 0.00 C ATOM 1157 CD2 LEU A 69 -4.130 -1.926 -2.247 1.00 0.00 C ATOM 0 H LEU A 69 -4.561 0.989 -5.543 1.00 0.00 H new ATOM 0 HA LEU A 69 -2.491 -0.349 -4.171 1.00 0.00 H new ATOM 0 HB2 LEU A 69 -5.160 -1.087 -5.351 1.00 0.00 H new ATOM 0 HB3 LEU A 69 -4.103 -2.346 -4.743 1.00 0.00 H new ATOM 0 HG LEU A 69 -4.647 0.009 -2.975 1.00 0.00 H new ATOM 0 HD11 LEU A 69 -6.696 -1.043 -2.129 1.00 0.00 H new ATOM 0 HD12 LEU A 69 -6.860 -0.547 -3.830 1.00 0.00 H new ATOM 0 HD13 LEU A 69 -6.604 -2.260 -3.424 1.00 0.00 H new ATOM 0 HD21 LEU A 69 -4.498 -1.732 -1.239 1.00 0.00 H new ATOM 0 HD22 LEU A 69 -4.310 -2.970 -2.504 1.00 0.00 H new ATOM 0 HD23 LEU A 69 -3.060 -1.721 -2.288 1.00 0.00 H new ATOM 1169 N GLU A 70 -2.941 -1.170 -7.344 1.00 0.00 N ATOM 1170 CA GLU A 70 -2.298 -1.788 -8.497 1.00 0.00 C ATOM 1171 C GLU A 70 -0.830 -1.397 -8.537 1.00 0.00 C ATOM 1172 O GLU A 70 0.026 -2.188 -8.931 1.00 0.00 O ATOM 1173 CB GLU A 70 -2.994 -1.363 -9.792 1.00 0.00 C ATOM 1174 CG GLU A 70 -4.454 -1.780 -9.863 1.00 0.00 C ATOM 1175 CD GLU A 70 -4.665 -3.022 -10.708 1.00 0.00 C ATOM 1176 OE1 GLU A 70 -4.870 -2.879 -11.931 1.00 0.00 O ATOM 1177 OE2 GLU A 70 -4.623 -4.136 -10.146 1.00 0.00 O ATOM 0 H GLU A 70 -3.854 -0.759 -7.540 1.00 0.00 H new ATOM 0 HA GLU A 70 -2.377 -2.871 -8.405 1.00 0.00 H new ATOM 0 HB2 GLU A 70 -2.929 -0.279 -9.891 1.00 0.00 H new ATOM 0 HB3 GLU A 70 -2.460 -1.793 -10.640 1.00 0.00 H new ATOM 0 HG2 GLU A 70 -4.825 -1.964 -8.855 1.00 0.00 H new ATOM 0 HG3 GLU A 70 -5.043 -0.960 -10.275 1.00 0.00 H new ATOM 1184 N GLU A 71 -0.543 -0.176 -8.090 1.00 0.00 N ATOM 1185 CA GLU A 71 0.828 0.302 -8.041 1.00 0.00 C ATOM 1186 C GLU A 71 1.623 -0.547 -7.057 1.00 0.00 C ATOM 1187 O GLU A 71 2.651 -1.123 -7.411 1.00 0.00 O ATOM 1188 CB GLU A 71 0.875 1.774 -7.634 1.00 0.00 C ATOM 1189 CG GLU A 71 -0.192 2.628 -8.301 1.00 0.00 C ATOM 1190 CD GLU A 71 -0.306 2.368 -9.792 1.00 0.00 C ATOM 1191 OE1 GLU A 71 0.742 2.180 -10.445 1.00 0.00 O ATOM 1192 OE2 GLU A 71 -1.444 2.354 -10.307 1.00 0.00 O ATOM 0 H GLU A 71 -1.239 0.493 -7.760 1.00 0.00 H new ATOM 0 HA GLU A 71 1.270 0.215 -9.034 1.00 0.00 H new ATOM 0 HB2 GLU A 71 0.762 1.846 -6.552 1.00 0.00 H new ATOM 0 HB3 GLU A 71 1.857 2.178 -7.879 1.00 0.00 H new ATOM 0 HG2 GLU A 71 -1.155 2.433 -7.828 1.00 0.00 H new ATOM 0 HG3 GLU A 71 0.037 3.681 -8.137 1.00 0.00 H new ATOM 1199 N ALA A 72 1.123 -0.645 -5.824 1.00 0.00 N ATOM 1200 CA ALA A 72 1.776 -1.453 -4.806 1.00 0.00 C ATOM 1201 C ALA A 72 1.871 -2.901 -5.271 1.00 0.00 C ATOM 1202 O ALA A 72 2.947 -3.499 -5.256 1.00 0.00 O ATOM 1203 CB ALA A 72 1.020 -1.360 -3.490 1.00 0.00 C ATOM 0 H ALA A 72 0.273 -0.176 -5.512 1.00 0.00 H new ATOM 0 HA ALA A 72 2.785 -1.072 -4.647 1.00 0.00 H new ATOM 0 HB1 ALA A 72 1.521 -1.970 -2.739 1.00 0.00 H new ATOM 0 HB2 ALA A 72 0.995 -0.322 -3.157 1.00 0.00 H new ATOM 0 HB3 ALA A 72 0.001 -1.721 -3.630 1.00 0.00 H new ATOM 1209 N ASN A 73 0.738 -3.455 -5.705 1.00 0.00 N ATOM 1210 CA ASN A 73 0.705 -4.830 -6.195 1.00 0.00 C ATOM 1211 C ASN A 73 1.679 -4.999 -7.355 1.00 0.00 C ATOM 1212 O ASN A 73 2.411 -5.987 -7.429 1.00 0.00 O ATOM 1213 CB ASN A 73 -0.707 -5.212 -6.643 1.00 0.00 C ATOM 1214 CG ASN A 73 -0.988 -6.690 -6.457 1.00 0.00 C ATOM 1215 OD1 ASN A 73 -0.509 -7.310 -5.507 1.00 0.00 O ATOM 1216 ND2 ASN A 73 -1.765 -7.265 -7.368 1.00 0.00 N ATOM 0 H ASN A 73 -0.162 -2.975 -5.727 1.00 0.00 H new ATOM 0 HA ASN A 73 1.002 -5.490 -5.380 1.00 0.00 H new ATOM 0 HB2 ASN A 73 -1.435 -4.632 -6.077 1.00 0.00 H new ATOM 0 HB3 ASN A 73 -0.837 -4.949 -7.693 1.00 0.00 H new ATOM 0 HD21 ASN A 73 -1.986 -8.258 -7.296 1.00 0.00 H new ATOM 0 HD22 ASN A 73 -2.141 -6.713 -8.139 1.00 0.00 H new ATOM 1223 N GLY A 74 1.689 -4.020 -8.253 1.00 0.00 N ATOM 1224 CA GLY A 74 2.584 -4.068 -9.393 1.00 0.00 C ATOM 1225 C GLY A 74 4.030 -3.936 -8.971 1.00 0.00 C ATOM 1226 O GLY A 74 4.901 -4.649 -9.470 1.00 0.00 O ATOM 0 H GLY A 74 1.093 -3.194 -8.211 1.00 0.00 H new ATOM 0 HA2 GLY A 74 2.444 -5.008 -9.927 1.00 0.00 H new ATOM 0 HA3 GLY A 74 2.332 -3.267 -10.088 1.00 0.00 H new ATOM 1230 N GLU A 75 4.284 -3.028 -8.034 1.00 0.00 N ATOM 1231 CA GLU A 75 5.630 -2.812 -7.526 1.00 0.00 C ATOM 1232 C GLU A 75 6.114 -4.058 -6.794 1.00 0.00 C ATOM 1233 O GLU A 75 7.299 -4.390 -6.821 1.00 0.00 O ATOM 1234 CB GLU A 75 5.659 -1.596 -6.594 1.00 0.00 C ATOM 1235 CG GLU A 75 5.460 -0.274 -7.316 1.00 0.00 C ATOM 1236 CD GLU A 75 6.714 0.196 -8.028 1.00 0.00 C ATOM 1237 OE1 GLU A 75 7.114 -0.454 -9.016 1.00 0.00 O ATOM 1238 OE2 GLU A 75 7.296 1.214 -7.597 1.00 0.00 O ATOM 0 H GLU A 75 3.573 -2.430 -7.612 1.00 0.00 H new ATOM 0 HA GLU A 75 6.298 -2.616 -8.365 1.00 0.00 H new ATOM 0 HB2 GLU A 75 4.882 -1.709 -5.838 1.00 0.00 H new ATOM 0 HB3 GLU A 75 6.614 -1.574 -6.068 1.00 0.00 H new ATOM 0 HG2 GLU A 75 4.652 -0.378 -8.041 1.00 0.00 H new ATOM 0 HG3 GLU A 75 5.148 0.485 -6.598 1.00 0.00 H new ATOM 1245 N ILE A 76 5.178 -4.754 -6.157 1.00 0.00 N ATOM 1246 CA ILE A 76 5.486 -5.978 -5.433 1.00 0.00 C ATOM 1247 C ILE A 76 5.626 -7.146 -6.405 1.00 0.00 C ATOM 1248 O ILE A 76 6.365 -8.097 -6.150 1.00 0.00 O ATOM 1249 CB ILE A 76 4.389 -6.304 -4.397 1.00 0.00 C ATOM 1250 CG1 ILE A 76 4.277 -5.178 -3.370 1.00 0.00 C ATOM 1251 CG2 ILE A 76 4.677 -7.629 -3.706 1.00 0.00 C ATOM 1252 CD1 ILE A 76 2.907 -5.070 -2.740 1.00 0.00 C ATOM 0 H ILE A 76 4.194 -4.487 -6.129 1.00 0.00 H new ATOM 0 HA ILE A 76 6.428 -5.824 -4.907 1.00 0.00 H new ATOM 0 HB ILE A 76 3.437 -6.393 -4.921 1.00 0.00 H new ATOM 0 HG12 ILE A 76 5.017 -5.337 -2.586 1.00 0.00 H new ATOM 0 HG13 ILE A 76 4.522 -4.232 -3.852 1.00 0.00 H new ATOM 0 HG21 ILE A 76 3.891 -7.839 -2.980 1.00 0.00 H new ATOM 0 HG22 ILE A 76 4.708 -8.427 -4.448 1.00 0.00 H new ATOM 0 HG23 ILE A 76 5.638 -7.571 -3.194 1.00 0.00 H new ATOM 0 HD11 ILE A 76 2.900 -4.250 -2.022 1.00 0.00 H new ATOM 0 HD12 ILE A 76 2.164 -4.880 -3.515 1.00 0.00 H new ATOM 0 HD13 ILE A 76 2.667 -6.002 -2.229 1.00 0.00 H new ATOM 1264 N GLU A 77 4.910 -7.062 -7.522 1.00 0.00 N ATOM 1265 CA GLU A 77 4.949 -8.103 -8.541 1.00 0.00 C ATOM 1266 C GLU A 77 6.211 -7.978 -9.389 1.00 0.00 C ATOM 1267 O GLU A 77 6.847 -8.977 -9.726 1.00 0.00 O ATOM 1268 CB GLU A 77 3.707 -8.015 -9.431 1.00 0.00 C ATOM 1269 CG GLU A 77 3.700 -9.018 -10.574 1.00 0.00 C ATOM 1270 CD GLU A 77 2.671 -8.685 -11.636 1.00 0.00 C ATOM 1271 OE1 GLU A 77 1.506 -8.420 -11.271 1.00 0.00 O ATOM 1272 OE2 GLU A 77 3.029 -8.690 -12.832 1.00 0.00 O ATOM 0 H GLU A 77 4.294 -6.280 -7.744 1.00 0.00 H new ATOM 0 HA GLU A 77 4.962 -9.073 -8.043 1.00 0.00 H new ATOM 0 HB2 GLU A 77 2.820 -8.171 -8.817 1.00 0.00 H new ATOM 0 HB3 GLU A 77 3.637 -7.008 -9.843 1.00 0.00 H new ATOM 0 HG2 GLU A 77 4.690 -9.051 -11.030 1.00 0.00 H new ATOM 0 HG3 GLU A 77 3.499 -10.013 -10.178 1.00 0.00 H new ATOM 1279 N LYS A 78 6.567 -6.744 -9.731 1.00 0.00 N ATOM 1280 CA LYS A 78 7.753 -6.488 -10.539 1.00 0.00 C ATOM 1281 C LYS A 78 9.029 -6.746 -9.741 1.00 0.00 C ATOM 1282 O LYS A 78 10.096 -6.964 -10.314 1.00 0.00 O ATOM 1283 CB LYS A 78 7.743 -5.049 -11.055 1.00 0.00 C ATOM 1284 CG LYS A 78 8.611 -4.837 -12.284 1.00 0.00 C ATOM 1285 CD LYS A 78 9.978 -4.285 -11.914 1.00 0.00 C ATOM 1286 CE LYS A 78 9.882 -2.858 -11.398 1.00 0.00 C ATOM 1287 NZ LYS A 78 9.110 -1.984 -12.324 1.00 0.00 N ATOM 0 H LYS A 78 6.051 -5.906 -9.461 1.00 0.00 H new ATOM 0 HA LYS A 78 7.735 -7.172 -11.387 1.00 0.00 H new ATOM 0 HB2 LYS A 78 6.718 -4.764 -11.291 1.00 0.00 H new ATOM 0 HB3 LYS A 78 8.084 -4.385 -10.261 1.00 0.00 H new ATOM 0 HG2 LYS A 78 8.731 -5.782 -12.813 1.00 0.00 H new ATOM 0 HG3 LYS A 78 8.113 -4.150 -12.968 1.00 0.00 H new ATOM 0 HD2 LYS A 78 10.433 -4.918 -11.153 1.00 0.00 H new ATOM 0 HD3 LYS A 78 10.632 -4.315 -12.786 1.00 0.00 H new ATOM 0 HE2 LYS A 78 9.406 -2.858 -10.417 1.00 0.00 H new ATOM 0 HE3 LYS A 78 10.885 -2.451 -11.266 1.00 0.00 H new ATOM 0 HZ1 LYS A 78 9.496 -1.019 -12.293 1.00 0.00 H new ATOM 0 HZ2 LYS A 78 9.183 -2.355 -13.293 1.00 0.00 H new ATOM 0 HZ3 LYS A 78 8.111 -1.967 -12.034 1.00 0.00 H new ATOM 1301 N PHE A 79 8.914 -6.717 -8.416 1.00 0.00 N ATOM 1302 CA PHE A 79 10.061 -6.946 -7.545 1.00 0.00 C ATOM 1303 C PHE A 79 10.137 -8.403 -7.089 1.00 0.00 C ATOM 1304 O PHE A 79 11.028 -8.774 -6.327 1.00 0.00 O ATOM 1305 CB PHE A 79 9.986 -6.026 -6.323 1.00 0.00 C ATOM 1306 CG PHE A 79 10.490 -4.632 -6.580 1.00 0.00 C ATOM 1307 CD1 PHE A 79 11.631 -4.418 -7.337 1.00 0.00 C ATOM 1308 CD2 PHE A 79 9.820 -3.537 -6.058 1.00 0.00 C ATOM 1309 CE1 PHE A 79 12.093 -3.136 -7.570 1.00 0.00 C ATOM 1310 CE2 PHE A 79 10.278 -2.254 -6.287 1.00 0.00 C ATOM 1311 CZ PHE A 79 11.415 -2.053 -7.044 1.00 0.00 C ATOM 0 H PHE A 79 8.039 -6.537 -7.923 1.00 0.00 H new ATOM 0 HA PHE A 79 10.962 -6.722 -8.117 1.00 0.00 H new ATOM 0 HB2 PHE A 79 8.951 -5.971 -5.984 1.00 0.00 H new ATOM 0 HB3 PHE A 79 10.564 -6.468 -5.512 1.00 0.00 H new ATOM 0 HD1 PHE A 79 12.165 -5.262 -7.749 1.00 0.00 H new ATOM 0 HD2 PHE A 79 8.930 -3.688 -5.466 1.00 0.00 H new ATOM 0 HE1 PHE A 79 12.983 -2.981 -8.162 1.00 0.00 H new ATOM 0 HE2 PHE A 79 9.747 -1.409 -5.874 1.00 0.00 H new ATOM 0 HZ PHE A 79 11.774 -1.051 -7.225 1.00 0.00 H new ATOM 1321 N SER A 80 9.198 -9.225 -7.554 1.00 0.00 N ATOM 1322 CA SER A 80 9.168 -10.635 -7.182 1.00 0.00 C ATOM 1323 C SER A 80 10.447 -11.345 -7.610 1.00 0.00 C ATOM 1324 O SER A 80 10.940 -12.230 -6.911 1.00 0.00 O ATOM 1325 CB SER A 80 7.953 -11.323 -7.810 1.00 0.00 C ATOM 1326 OG SER A 80 7.382 -12.263 -6.916 1.00 0.00 O ATOM 0 H SER A 80 8.451 -8.939 -8.187 1.00 0.00 H new ATOM 0 HA SER A 80 9.092 -10.694 -6.096 1.00 0.00 H new ATOM 0 HB2 SER A 80 7.208 -10.575 -8.082 1.00 0.00 H new ATOM 0 HB3 SER A 80 8.251 -11.826 -8.730 1.00 0.00 H new ATOM 0 HG SER A 80 6.607 -12.688 -7.339 1.00 0.00 H new ATOM 1332 N ASN A 81 10.982 -10.954 -8.762 1.00 0.00 N ATOM 1333 CA ASN A 81 12.203 -11.558 -9.277 1.00 0.00 C ATOM 1334 C ASN A 81 13.433 -10.951 -8.609 1.00 0.00 C ATOM 1335 O ASN A 81 13.618 -9.734 -8.617 1.00 0.00 O ATOM 1336 CB ASN A 81 12.288 -11.376 -10.794 1.00 0.00 C ATOM 1337 CG ASN A 81 11.800 -12.595 -11.550 1.00 0.00 C ATOM 1338 OD1 ASN A 81 11.311 -13.554 -10.954 1.00 0.00 O ATOM 1339 ND2 ASN A 81 11.933 -12.565 -12.871 1.00 0.00 N ATOM 0 H ASN A 81 10.589 -10.223 -9.355 1.00 0.00 H new ATOM 0 HA ASN A 81 12.176 -12.623 -9.048 1.00 0.00 H new ATOM 0 HB2 ASN A 81 11.696 -10.509 -11.087 1.00 0.00 H new ATOM 0 HB3 ASN A 81 13.320 -11.167 -11.075 1.00 0.00 H new ATOM 0 HD21 ASN A 81 11.624 -13.358 -13.433 1.00 0.00 H new ATOM 0 HD22 ASN A 81 12.344 -11.749 -13.324 1.00 0.00 H new ATOM 1346 N ARG A 82 14.273 -11.807 -8.034 1.00 0.00 N ATOM 1347 CA ARG A 82 15.487 -11.354 -7.363 1.00 0.00 C ATOM 1348 C ARG A 82 16.319 -10.470 -8.286 1.00 0.00 C ATOM 1349 O ARG A 82 16.895 -9.471 -7.855 1.00 0.00 O ATOM 1350 CB ARG A 82 16.318 -12.551 -6.896 1.00 0.00 C ATOM 1351 CG ARG A 82 16.894 -13.378 -8.036 1.00 0.00 C ATOM 1352 CD ARG A 82 17.615 -14.612 -7.518 1.00 0.00 C ATOM 1353 NE ARG A 82 17.544 -15.724 -8.463 1.00 0.00 N ATOM 1354 CZ ARG A 82 17.782 -16.992 -8.135 1.00 0.00 C ATOM 1355 NH1 ARG A 82 18.109 -17.311 -6.889 1.00 0.00 N ATOM 1356 NH2 ARG A 82 17.694 -17.942 -9.055 1.00 0.00 N ATOM 0 H ARG A 82 14.135 -12.818 -8.019 1.00 0.00 H new ATOM 0 HA ARG A 82 15.193 -10.767 -6.493 1.00 0.00 H new ATOM 0 HB2 ARG A 82 17.135 -12.193 -6.270 1.00 0.00 H new ATOM 0 HB3 ARG A 82 15.696 -13.192 -6.272 1.00 0.00 H new ATOM 0 HG2 ARG A 82 16.092 -13.680 -8.710 1.00 0.00 H new ATOM 0 HG3 ARG A 82 17.586 -12.768 -8.617 1.00 0.00 H new ATOM 0 HD2 ARG A 82 18.659 -14.367 -7.324 1.00 0.00 H new ATOM 0 HD3 ARG A 82 17.177 -14.916 -6.567 1.00 0.00 H new ATOM 0 HE ARG A 82 17.298 -15.517 -9.431 1.00 0.00 H new ATOM 0 HH11 ARG A 82 18.179 -16.583 -6.178 1.00 0.00 H new ATOM 0 HH12 ARG A 82 18.290 -18.284 -6.643 1.00 0.00 H new ATOM 0 HH21 ARG A 82 17.444 -17.701 -10.014 1.00 0.00 H new ATOM 0 HH22 ARG A 82 17.876 -18.914 -8.804 1.00 0.00 H new ATOM 1370 N SER A 83 16.372 -10.843 -9.560 1.00 0.00 N ATOM 1371 CA SER A 83 17.127 -10.081 -10.548 1.00 0.00 C ATOM 1372 C SER A 83 16.616 -8.647 -10.626 1.00 0.00 C ATOM 1373 O SER A 83 17.376 -7.721 -10.904 1.00 0.00 O ATOM 1374 CB SER A 83 17.026 -10.746 -11.922 1.00 0.00 C ATOM 1375 OG SER A 83 15.908 -11.612 -11.989 1.00 0.00 O ATOM 0 H SER A 83 15.902 -11.668 -9.933 1.00 0.00 H new ATOM 0 HA SER A 83 18.172 -10.062 -10.239 1.00 0.00 H new ATOM 0 HB2 SER A 83 16.944 -9.981 -12.694 1.00 0.00 H new ATOM 0 HB3 SER A 83 17.938 -11.308 -12.125 1.00 0.00 H new ATOM 0 HG SER A 83 15.865 -12.023 -12.878 1.00 0.00 H new ATOM 1381 N ASN A 84 15.322 -8.474 -10.373 1.00 0.00 N ATOM 1382 CA ASN A 84 14.707 -7.154 -10.411 1.00 0.00 C ATOM 1383 C ASN A 84 15.040 -6.366 -9.149 1.00 0.00 C ATOM 1384 O ASN A 84 15.113 -5.139 -9.175 1.00 0.00 O ATOM 1385 CB ASN A 84 13.189 -7.280 -10.561 1.00 0.00 C ATOM 1386 CG ASN A 84 12.780 -7.693 -11.962 1.00 0.00 C ATOM 1387 OD1 ASN A 84 13.464 -7.382 -12.938 1.00 0.00 O ATOM 1388 ND2 ASN A 84 11.658 -8.395 -12.068 1.00 0.00 N ATOM 0 H ASN A 84 14.680 -9.232 -10.140 1.00 0.00 H new ATOM 0 HA ASN A 84 15.107 -6.617 -11.271 1.00 0.00 H new ATOM 0 HB2 ASN A 84 12.815 -8.012 -9.845 1.00 0.00 H new ATOM 0 HB3 ASN A 84 12.722 -6.326 -10.315 1.00 0.00 H new ATOM 0 HD21 ASN A 84 11.331 -8.699 -12.985 1.00 0.00 H new ATOM 0 HD22 ASN A 84 11.123 -8.630 -11.232 1.00 0.00 H new ATOM 1395 N ILE A 85 15.243 -7.081 -8.045 1.00 0.00 N ATOM 1396 CA ILE A 85 15.571 -6.449 -6.772 1.00 0.00 C ATOM 1397 C ILE A 85 17.044 -6.055 -6.722 1.00 0.00 C ATOM 1398 O ILE A 85 17.381 -4.873 -6.674 1.00 0.00 O ATOM 1399 CB ILE A 85 15.259 -7.389 -5.588 1.00 0.00 C ATOM 1400 CG1 ILE A 85 13.750 -7.652 -5.505 1.00 0.00 C ATOM 1401 CG2 ILE A 85 15.789 -6.816 -4.277 1.00 0.00 C ATOM 1402 CD1 ILE A 85 12.956 -6.549 -4.828 1.00 0.00 C ATOM 0 H ILE A 85 15.186 -8.099 -8.007 1.00 0.00 H new ATOM 0 HA ILE A 85 14.956 -5.553 -6.689 1.00 0.00 H new ATOM 0 HB ILE A 85 15.766 -8.339 -5.759 1.00 0.00 H new ATOM 0 HG12 ILE A 85 13.363 -7.795 -6.514 1.00 0.00 H new ATOM 0 HG13 ILE A 85 13.585 -8.585 -4.965 1.00 0.00 H new ATOM 0 HG21 ILE A 85 15.555 -7.499 -3.460 1.00 0.00 H new ATOM 0 HG22 ILE A 85 16.869 -6.689 -4.346 1.00 0.00 H new ATOM 0 HG23 ILE A 85 15.322 -5.850 -4.087 1.00 0.00 H new ATOM 0 HD11 ILE A 85 11.900 -6.818 -4.813 1.00 0.00 H new ATOM 0 HD12 ILE A 85 13.312 -6.419 -3.806 1.00 0.00 H new ATOM 0 HD13 ILE A 85 13.086 -5.617 -5.378 1.00 0.00 H new ATOM 1414 N CYS A 86 17.915 -7.059 -6.735 1.00 0.00 N ATOM 1415 CA CYS A 86 19.357 -6.829 -6.690 1.00 0.00 C ATOM 1416 C CYS A 86 19.774 -5.749 -7.683 1.00 0.00 C ATOM 1417 O CYS A 86 20.761 -5.044 -7.471 1.00 0.00 O ATOM 1418 CB CYS A 86 20.110 -8.127 -6.985 1.00 0.00 C ATOM 1419 SG CYS A 86 20.122 -9.302 -5.611 1.00 0.00 S ATOM 0 H CYS A 86 17.648 -8.042 -6.776 1.00 0.00 H new ATOM 0 HA CYS A 86 19.611 -6.487 -5.687 1.00 0.00 H new ATOM 0 HB2 CYS A 86 19.660 -8.606 -7.855 1.00 0.00 H new ATOM 0 HB3 CYS A 86 21.139 -7.885 -7.251 1.00 0.00 H new ATOM 0 HG CYS A 86 20.780 -10.368 -5.957 1.00 0.00 H new ATOM 1425 N ARG A 87 19.017 -5.624 -8.768 1.00 0.00 N ATOM 1426 CA ARG A 87 19.310 -4.629 -9.791 1.00 0.00 C ATOM 1427 C ARG A 87 18.780 -3.258 -9.388 1.00 0.00 C ATOM 1428 O ARG A 87 19.476 -2.253 -9.520 1.00 0.00 O ATOM 1429 CB ARG A 87 18.701 -5.046 -11.131 1.00 0.00 C ATOM 1430 CG ARG A 87 19.601 -5.953 -11.952 1.00 0.00 C ATOM 1431 CD ARG A 87 19.513 -5.633 -13.437 1.00 0.00 C ATOM 1432 NE ARG A 87 19.076 -6.786 -14.220 1.00 0.00 N ATOM 1433 CZ ARG A 87 19.831 -7.860 -14.441 1.00 0.00 C ATOM 1434 NH1 ARG A 87 21.059 -7.931 -13.942 1.00 0.00 N ATOM 1435 NH2 ARG A 87 19.358 -8.864 -15.164 1.00 0.00 N ATOM 0 H ARG A 87 18.197 -6.199 -8.961 1.00 0.00 H new ATOM 0 HA ARG A 87 20.393 -4.565 -9.895 1.00 0.00 H new ATOM 0 HB2 ARG A 87 17.755 -5.556 -10.948 1.00 0.00 H new ATOM 0 HB3 ARG A 87 18.474 -4.152 -11.711 1.00 0.00 H new ATOM 0 HG2 ARG A 87 20.632 -5.844 -11.616 1.00 0.00 H new ATOM 0 HG3 ARG A 87 19.320 -6.993 -11.786 1.00 0.00 H new ATOM 0 HD2 ARG A 87 18.818 -4.807 -13.589 1.00 0.00 H new ATOM 0 HD3 ARG A 87 20.487 -5.300 -13.795 1.00 0.00 H new ATOM 0 HE ARG A 87 18.138 -6.767 -14.621 1.00 0.00 H new ATOM 0 HH11 ARG A 87 21.429 -7.160 -13.386 1.00 0.00 H new ATOM 0 HH12 ARG A 87 21.633 -8.756 -14.115 1.00 0.00 H new ATOM 0 HH21 ARG A 87 18.416 -8.814 -15.551 1.00 0.00 H new ATOM 0 HH22 ARG A 87 19.936 -9.687 -15.334 1.00 0.00 H new ATOM 1449 N PHE A 88 17.544 -3.220 -8.899 1.00 0.00 N ATOM 1450 CA PHE A 88 16.930 -1.966 -8.486 1.00 0.00 C ATOM 1451 C PHE A 88 17.693 -1.342 -7.318 1.00 0.00 C ATOM 1452 O PHE A 88 17.871 -0.127 -7.266 1.00 0.00 O ATOM 1453 CB PHE A 88 15.454 -2.190 -8.112 1.00 0.00 C ATOM 1454 CG PHE A 88 15.103 -1.747 -6.718 1.00 0.00 C ATOM 1455 CD1 PHE A 88 15.157 -0.406 -6.372 1.00 0.00 C ATOM 1456 CD2 PHE A 88 14.741 -2.671 -5.754 1.00 0.00 C ATOM 1457 CE1 PHE A 88 14.855 0.003 -5.090 1.00 0.00 C ATOM 1458 CE2 PHE A 88 14.440 -2.270 -4.475 1.00 0.00 C ATOM 1459 CZ PHE A 88 14.498 -0.928 -4.140 1.00 0.00 C ATOM 0 H PHE A 88 16.951 -4.041 -8.780 1.00 0.00 H new ATOM 0 HA PHE A 88 16.974 -1.272 -9.325 1.00 0.00 H new ATOM 0 HB2 PHE A 88 14.824 -1.654 -8.822 1.00 0.00 H new ATOM 0 HB3 PHE A 88 15.220 -3.250 -8.215 1.00 0.00 H new ATOM 0 HD1 PHE A 88 15.439 0.326 -7.114 1.00 0.00 H new ATOM 0 HD2 PHE A 88 14.695 -3.719 -6.010 1.00 0.00 H new ATOM 0 HE1 PHE A 88 14.898 1.051 -4.832 1.00 0.00 H new ATOM 0 HE2 PHE A 88 14.158 -3.001 -3.732 1.00 0.00 H new ATOM 0 HZ PHE A 88 14.263 -0.611 -3.134 1.00 0.00 H new ATOM 1469 N LEU A 89 18.124 -2.172 -6.374 1.00 0.00 N ATOM 1470 CA LEU A 89 18.849 -1.679 -5.207 1.00 0.00 C ATOM 1471 C LEU A 89 20.089 -0.889 -5.621 1.00 0.00 C ATOM 1472 O LEU A 89 20.189 0.308 -5.354 1.00 0.00 O ATOM 1473 CB LEU A 89 19.253 -2.836 -4.287 1.00 0.00 C ATOM 1474 CG LEU A 89 18.107 -3.708 -3.754 1.00 0.00 C ATOM 1475 CD1 LEU A 89 18.617 -4.627 -2.657 1.00 0.00 C ATOM 1476 CD2 LEU A 89 16.959 -2.854 -3.232 1.00 0.00 C ATOM 0 H LEU A 89 17.986 -3.182 -6.393 1.00 0.00 H new ATOM 0 HA LEU A 89 18.179 -1.013 -4.663 1.00 0.00 H new ATOM 0 HB2 LEU A 89 19.949 -3.477 -4.828 1.00 0.00 H new ATOM 0 HB3 LEU A 89 19.795 -2.424 -3.436 1.00 0.00 H new ATOM 0 HG LEU A 89 17.729 -4.311 -4.580 1.00 0.00 H new ATOM 0 HD11 LEU A 89 17.796 -5.241 -2.286 1.00 0.00 H new ATOM 0 HD12 LEU A 89 19.400 -5.271 -3.057 1.00 0.00 H new ATOM 0 HD13 LEU A 89 19.021 -4.029 -1.840 1.00 0.00 H new ATOM 0 HD21 LEU A 89 16.164 -3.501 -2.862 1.00 0.00 H new ATOM 0 HD22 LEU A 89 17.317 -2.219 -2.422 1.00 0.00 H new ATOM 0 HD23 LEU A 89 16.574 -2.230 -4.039 1.00 0.00 H new ATOM 1488 N THR A 90 21.030 -1.565 -6.273 1.00 0.00 N ATOM 1489 CA THR A 90 22.261 -0.920 -6.719 1.00 0.00 C ATOM 1490 C THR A 90 21.967 0.162 -7.753 1.00 0.00 C ATOM 1491 O THR A 90 22.472 1.281 -7.658 1.00 0.00 O ATOM 1492 CB THR A 90 23.221 -1.956 -7.307 1.00 0.00 C ATOM 1493 OG1 THR A 90 24.415 -1.338 -7.752 1.00 0.00 O ATOM 1494 CG2 THR A 90 22.637 -2.720 -8.476 1.00 0.00 C ATOM 0 H THR A 90 20.964 -2.556 -6.504 1.00 0.00 H new ATOM 0 HA THR A 90 22.729 -0.451 -5.853 1.00 0.00 H new ATOM 0 HB THR A 90 23.417 -2.658 -6.497 1.00 0.00 H new ATOM 0 HG1 THR A 90 25.016 -2.017 -8.123 1.00 0.00 H new ATOM 0 HG21 THR A 90 23.370 -3.438 -8.844 1.00 0.00 H new ATOM 0 HG22 THR A 90 21.741 -3.250 -8.153 1.00 0.00 H new ATOM 0 HG23 THR A 90 22.379 -2.023 -9.273 1.00 0.00 H new ATOM 1502 N ALA A 91 21.147 -0.180 -8.742 1.00 0.00 N ATOM 1503 CA ALA A 91 20.785 0.758 -9.796 1.00 0.00 C ATOM 1504 C ALA A 91 19.994 1.939 -9.240 1.00 0.00 C ATOM 1505 O ALA A 91 20.028 3.037 -9.795 1.00 0.00 O ATOM 1506 CB ALA A 91 19.977 0.048 -10.870 1.00 0.00 C ATOM 0 H ALA A 91 20.721 -1.102 -8.834 1.00 0.00 H new ATOM 0 HA ALA A 91 21.705 1.145 -10.234 1.00 0.00 H new ATOM 0 HB1 ALA A 91 19.711 0.757 -11.654 1.00 0.00 H new ATOM 0 HB2 ALA A 91 20.571 -0.760 -11.298 1.00 0.00 H new ATOM 0 HB3 ALA A 91 19.069 -0.364 -10.430 1.00 0.00 H new ATOM 1512 N SER A 92 19.281 1.700 -8.145 1.00 0.00 N ATOM 1513 CA SER A 92 18.473 2.736 -7.510 1.00 0.00 C ATOM 1514 C SER A 92 17.462 3.323 -8.491 1.00 0.00 C ATOM 1515 O SER A 92 17.701 4.370 -9.093 1.00 0.00 O ATOM 1516 CB SER A 92 19.369 3.845 -6.950 1.00 0.00 C ATOM 1517 OG SER A 92 19.865 4.679 -7.984 1.00 0.00 O ATOM 0 H SER A 92 19.246 0.795 -7.677 1.00 0.00 H new ATOM 0 HA SER A 92 17.924 2.276 -6.688 1.00 0.00 H new ATOM 0 HB2 SER A 92 18.805 4.445 -6.235 1.00 0.00 H new ATOM 0 HB3 SER A 92 20.203 3.402 -6.406 1.00 0.00 H new ATOM 0 HG SER A 92 19.478 4.403 -8.841 1.00 0.00 H new ATOM 1523 N GLN A 93 16.327 2.644 -8.645 1.00 0.00 N ATOM 1524 CA GLN A 93 15.280 3.107 -9.550 1.00 0.00 C ATOM 1525 C GLN A 93 14.587 4.331 -8.972 1.00 0.00 C ATOM 1526 O GLN A 93 14.489 5.370 -9.624 1.00 0.00 O ATOM 1527 CB GLN A 93 14.251 2.003 -9.796 1.00 0.00 C ATOM 1528 CG GLN A 93 14.863 0.642 -10.060 1.00 0.00 C ATOM 1529 CD GLN A 93 15.300 0.470 -11.502 1.00 0.00 C ATOM 1530 OE1 GLN A 93 14.523 0.699 -12.429 1.00 0.00 O ATOM 1531 NE2 GLN A 93 16.548 0.064 -11.698 1.00 0.00 N ATOM 0 H GLN A 93 16.110 1.775 -8.157 1.00 0.00 H new ATOM 0 HA GLN A 93 15.745 3.372 -10.499 1.00 0.00 H new ATOM 0 HB2 GLN A 93 13.593 1.933 -8.930 1.00 0.00 H new ATOM 0 HB3 GLN A 93 13.629 2.282 -10.647 1.00 0.00 H new ATOM 0 HG2 GLN A 93 15.722 0.500 -9.404 1.00 0.00 H new ATOM 0 HG3 GLN A 93 14.139 -0.133 -9.809 1.00 0.00 H new ATOM 0 HE21 GLN A 93 17.158 -0.114 -10.900 1.00 0.00 H new ATOM 0 HE22 GLN A 93 16.898 -0.070 -12.647 1.00 0.00 H new ATOM 1540 N ASP A 94 14.118 4.203 -7.736 1.00 0.00 N ATOM 1541 CA ASP A 94 13.444 5.303 -7.062 1.00 0.00 C ATOM 1542 C ASP A 94 13.993 5.493 -5.651 1.00 0.00 C ATOM 1543 O ASP A 94 13.448 6.269 -4.865 1.00 0.00 O ATOM 1544 CB ASP A 94 11.937 5.045 -7.006 1.00 0.00 C ATOM 1545 CG ASP A 94 11.187 5.751 -8.118 1.00 0.00 C ATOM 1546 OD1 ASP A 94 11.075 6.993 -8.063 1.00 0.00 O ATOM 1547 OD2 ASP A 94 10.710 5.061 -9.044 1.00 0.00 O ATOM 0 H ASP A 94 14.193 3.350 -7.182 1.00 0.00 H new ATOM 0 HA ASP A 94 13.629 6.215 -7.630 1.00 0.00 H new ATOM 0 HB2 ASP A 94 11.752 3.973 -7.071 1.00 0.00 H new ATOM 0 HB3 ASP A 94 11.550 5.377 -6.043 1.00 0.00 H new ATOM 1552 N LYS A 95 15.067 4.766 -5.329 1.00 0.00 N ATOM 1553 CA LYS A 95 15.686 4.836 -4.011 1.00 0.00 C ATOM 1554 C LYS A 95 14.888 4.023 -2.994 1.00 0.00 C ATOM 1555 O LYS A 95 15.359 3.778 -1.884 1.00 0.00 O ATOM 1556 CB LYS A 95 15.816 6.289 -3.540 1.00 0.00 C ATOM 1557 CG LYS A 95 16.336 7.233 -4.614 1.00 0.00 C ATOM 1558 CD LYS A 95 15.619 8.575 -4.577 1.00 0.00 C ATOM 1559 CE LYS A 95 15.224 9.034 -5.971 1.00 0.00 C ATOM 1560 NZ LYS A 95 16.412 9.359 -6.808 1.00 0.00 N ATOM 0 H LYS A 95 15.525 4.119 -5.971 1.00 0.00 H new ATOM 0 HA LYS A 95 16.686 4.410 -4.091 1.00 0.00 H new ATOM 0 HB2 LYS A 95 14.842 6.640 -3.200 1.00 0.00 H new ATOM 0 HB3 LYS A 95 16.486 6.325 -2.681 1.00 0.00 H new ATOM 0 HG2 LYS A 95 17.406 7.388 -4.476 1.00 0.00 H new ATOM 0 HG3 LYS A 95 16.204 6.777 -5.595 1.00 0.00 H new ATOM 0 HD2 LYS A 95 14.729 8.496 -3.953 1.00 0.00 H new ATOM 0 HD3 LYS A 95 16.266 9.322 -4.117 1.00 0.00 H new ATOM 0 HE2 LYS A 95 14.640 8.253 -6.458 1.00 0.00 H new ATOM 0 HE3 LYS A 95 14.582 9.912 -5.896 1.00 0.00 H new ATOM 0 HZ1 LYS A 95 16.099 9.668 -7.750 1.00 0.00 H new ATOM 0 HZ2 LYS A 95 16.956 10.122 -6.357 1.00 0.00 H new ATOM 0 HZ3 LYS A 95 17.012 8.515 -6.902 1.00 0.00 H new ATOM 1574 N ILE A 96 13.680 3.605 -3.381 1.00 0.00 N ATOM 1575 CA ILE A 96 12.817 2.820 -2.507 1.00 0.00 C ATOM 1576 C ILE A 96 11.783 2.039 -3.316 1.00 0.00 C ATOM 1577 O ILE A 96 11.110 2.590 -4.189 1.00 0.00 O ATOM 1578 CB ILE A 96 12.071 3.708 -1.500 1.00 0.00 C ATOM 1579 CG1 ILE A 96 13.031 4.679 -0.811 1.00 0.00 C ATOM 1580 CG2 ILE A 96 11.333 2.852 -0.478 1.00 0.00 C ATOM 1581 CD1 ILE A 96 12.379 5.488 0.283 1.00 0.00 C ATOM 0 H ILE A 96 13.280 3.800 -4.299 1.00 0.00 H new ATOM 0 HA ILE A 96 13.467 2.131 -1.968 1.00 0.00 H new ATOM 0 HB ILE A 96 11.335 4.299 -2.045 1.00 0.00 H new ATOM 0 HG12 ILE A 96 13.865 4.117 -0.390 1.00 0.00 H new ATOM 0 HG13 ILE A 96 13.447 5.357 -1.556 1.00 0.00 H new ATOM 0 HG21 ILE A 96 10.810 3.498 0.228 1.00 0.00 H new ATOM 0 HG22 ILE A 96 10.612 2.215 -0.990 1.00 0.00 H new ATOM 0 HG23 ILE A 96 12.048 2.230 0.060 1.00 0.00 H new ATOM 0 HD11 ILE A 96 13.115 6.156 0.730 1.00 0.00 H new ATOM 0 HD12 ILE A 96 11.563 6.076 -0.137 1.00 0.00 H new ATOM 0 HD13 ILE A 96 11.987 4.817 1.047 1.00 0.00 H new ATOM 1593 N LEU A 97 11.673 0.753 -3.017 1.00 0.00 N ATOM 1594 CA LEU A 97 10.737 -0.142 -3.696 1.00 0.00 C ATOM 1595 C LEU A 97 9.356 0.484 -3.904 1.00 0.00 C ATOM 1596 O LEU A 97 9.027 0.917 -5.009 1.00 0.00 O ATOM 1597 CB LEU A 97 10.613 -1.443 -2.902 1.00 0.00 C ATOM 1598 CG LEU A 97 11.923 -2.218 -2.774 1.00 0.00 C ATOM 1599 CD1 LEU A 97 12.311 -2.418 -1.323 1.00 0.00 C ATOM 1600 CD2 LEU A 97 11.847 -3.556 -3.487 1.00 0.00 C ATOM 0 H LEU A 97 12.230 0.296 -2.295 1.00 0.00 H new ATOM 0 HA LEU A 97 11.139 -0.342 -4.689 1.00 0.00 H new ATOM 0 HB2 LEU A 97 10.239 -1.214 -1.904 1.00 0.00 H new ATOM 0 HB3 LEU A 97 9.871 -2.081 -3.382 1.00 0.00 H new ATOM 0 HG LEU A 97 12.696 -1.618 -3.253 1.00 0.00 H new ATOM 0 HD11 LEU A 97 13.248 -2.973 -1.270 1.00 0.00 H new ATOM 0 HD12 LEU A 97 12.437 -1.448 -0.843 1.00 0.00 H new ATOM 0 HD13 LEU A 97 11.528 -2.978 -0.811 1.00 0.00 H new ATOM 0 HD21 LEU A 97 12.795 -4.082 -3.376 1.00 0.00 H new ATOM 0 HD22 LEU A 97 11.047 -4.155 -3.052 1.00 0.00 H new ATOM 0 HD23 LEU A 97 11.644 -3.393 -4.545 1.00 0.00 H new ATOM 1612 N PHE A 98 8.536 0.506 -2.853 1.00 0.00 N ATOM 1613 CA PHE A 98 7.182 1.052 -2.960 1.00 0.00 C ATOM 1614 C PHE A 98 7.056 2.437 -2.325 1.00 0.00 C ATOM 1615 O PHE A 98 6.072 2.729 -1.646 1.00 0.00 O ATOM 1616 CB PHE A 98 6.168 0.084 -2.335 1.00 0.00 C ATOM 1617 CG PHE A 98 6.118 0.122 -0.832 1.00 0.00 C ATOM 1618 CD1 PHE A 98 7.133 -0.439 -0.075 1.00 0.00 C ATOM 1619 CD2 PHE A 98 5.049 0.714 -0.180 1.00 0.00 C ATOM 1620 CE1 PHE A 98 7.082 -0.409 1.306 1.00 0.00 C ATOM 1621 CE2 PHE A 98 4.993 0.747 1.201 1.00 0.00 C ATOM 1622 CZ PHE A 98 6.011 0.185 1.945 1.00 0.00 C ATOM 0 H PHE A 98 8.782 0.156 -1.927 1.00 0.00 H new ATOM 0 HA PHE A 98 6.966 1.168 -4.022 1.00 0.00 H new ATOM 0 HB2 PHE A 98 5.177 0.314 -2.725 1.00 0.00 H new ATOM 0 HB3 PHE A 98 6.409 -0.930 -2.653 1.00 0.00 H new ATOM 0 HD1 PHE A 98 7.973 -0.905 -0.569 1.00 0.00 H new ATOM 0 HD2 PHE A 98 4.250 1.155 -0.757 1.00 0.00 H new ATOM 0 HE1 PHE A 98 7.880 -0.850 1.885 1.00 0.00 H new ATOM 0 HE2 PHE A 98 4.154 1.212 1.697 1.00 0.00 H new ATOM 0 HZ PHE A 98 5.970 0.210 3.024 1.00 0.00 H new ATOM 1632 N LYS A 99 8.038 3.296 -2.568 1.00 0.00 N ATOM 1633 CA LYS A 99 8.008 4.650 -2.033 1.00 0.00 C ATOM 1634 C LYS A 99 6.884 5.447 -2.686 1.00 0.00 C ATOM 1635 O LYS A 99 6.075 6.076 -2.007 1.00 0.00 O ATOM 1636 CB LYS A 99 9.356 5.341 -2.269 1.00 0.00 C ATOM 1637 CG LYS A 99 9.252 6.782 -2.744 1.00 0.00 C ATOM 1638 CD LYS A 99 10.576 7.516 -2.598 1.00 0.00 C ATOM 1639 CE LYS A 99 10.532 8.527 -1.463 1.00 0.00 C ATOM 1640 NZ LYS A 99 11.645 9.511 -1.552 1.00 0.00 N ATOM 0 H LYS A 99 8.862 3.080 -3.130 1.00 0.00 H new ATOM 0 HA LYS A 99 7.824 4.601 -0.960 1.00 0.00 H new ATOM 0 HB2 LYS A 99 9.929 5.318 -1.342 1.00 0.00 H new ATOM 0 HB3 LYS A 99 9.919 4.769 -3.006 1.00 0.00 H new ATOM 0 HG2 LYS A 99 8.938 6.800 -3.788 1.00 0.00 H new ATOM 0 HG3 LYS A 99 8.483 7.300 -2.171 1.00 0.00 H new ATOM 0 HD2 LYS A 99 11.374 6.796 -2.414 1.00 0.00 H new ATOM 0 HD3 LYS A 99 10.815 8.026 -3.531 1.00 0.00 H new ATOM 0 HE2 LYS A 99 9.579 9.055 -1.484 1.00 0.00 H new ATOM 0 HE3 LYS A 99 10.586 8.004 -0.508 1.00 0.00 H new ATOM 0 HZ1 LYS A 99 11.579 10.182 -0.760 1.00 0.00 H new ATOM 0 HZ2 LYS A 99 12.555 9.010 -1.506 1.00 0.00 H new ATOM 0 HZ3 LYS A 99 11.579 10.029 -2.451 1.00 0.00 H new ATOM 1654 N ASP A 100 6.851 5.411 -4.013 1.00 0.00 N ATOM 1655 CA ASP A 100 5.837 6.128 -4.773 1.00 0.00 C ATOM 1656 C ASP A 100 4.439 5.677 -4.375 1.00 0.00 C ATOM 1657 O ASP A 100 3.507 6.476 -4.352 1.00 0.00 O ATOM 1658 CB ASP A 100 6.048 5.914 -6.273 1.00 0.00 C ATOM 1659 CG ASP A 100 5.768 7.166 -7.082 1.00 0.00 C ATOM 1660 OD1 ASP A 100 4.594 7.591 -7.131 1.00 0.00 O ATOM 1661 OD2 ASP A 100 6.723 7.720 -7.668 1.00 0.00 O ATOM 0 H ASP A 100 7.517 4.891 -4.585 1.00 0.00 H new ATOM 0 HA ASP A 100 5.933 7.190 -4.548 1.00 0.00 H new ATOM 0 HB2 ASP A 100 7.074 5.592 -6.450 1.00 0.00 H new ATOM 0 HB3 ASP A 100 5.398 5.110 -6.617 1.00 0.00 H new ATOM 1666 N VAL A 101 4.301 4.394 -4.061 1.00 0.00 N ATOM 1667 CA VAL A 101 3.011 3.844 -3.667 1.00 0.00 C ATOM 1668 C VAL A 101 2.638 4.283 -2.267 1.00 0.00 C ATOM 1669 O VAL A 101 1.643 4.972 -2.080 1.00 0.00 O ATOM 1670 CB VAL A 101 3.010 2.315 -3.755 1.00 0.00 C ATOM 1671 CG1 VAL A 101 1.621 1.758 -3.486 1.00 0.00 C ATOM 1672 CG2 VAL A 101 3.503 1.907 -5.125 1.00 0.00 C ATOM 0 H VAL A 101 5.064 3.718 -4.072 1.00 0.00 H new ATOM 0 HA VAL A 101 2.266 4.230 -4.363 1.00 0.00 H new ATOM 0 HB VAL A 101 3.674 1.905 -2.994 1.00 0.00 H new ATOM 0 HG11 VAL A 101 1.646 0.670 -3.554 1.00 0.00 H new ATOM 0 HG12 VAL A 101 1.298 2.052 -2.487 1.00 0.00 H new ATOM 0 HG13 VAL A 101 0.922 2.152 -4.224 1.00 0.00 H new ATOM 0 HG21 VAL A 101 3.507 0.820 -5.201 1.00 0.00 H new ATOM 0 HG22 VAL A 101 2.843 2.322 -5.887 1.00 0.00 H new ATOM 0 HG23 VAL A 101 4.514 2.285 -5.275 1.00 0.00 H new ATOM 1682 N ASN A 102 3.448 3.923 -1.280 1.00 0.00 N ATOM 1683 CA ASN A 102 3.170 4.344 0.084 1.00 0.00 C ATOM 1684 C ASN A 102 2.934 5.856 0.098 1.00 0.00 C ATOM 1685 O ASN A 102 2.222 6.383 0.951 1.00 0.00 O ATOM 1686 CB ASN A 102 4.323 3.941 1.020 1.00 0.00 C ATOM 1687 CG ASN A 102 5.315 5.061 1.284 1.00 0.00 C ATOM 1688 OD1 ASN A 102 4.962 6.111 1.822 1.00 0.00 O ATOM 1689 ND2 ASN A 102 6.568 4.834 0.916 1.00 0.00 N ATOM 0 H ASN A 102 4.286 3.352 -1.395 1.00 0.00 H new ATOM 0 HA ASN A 102 2.272 3.846 0.450 1.00 0.00 H new ATOM 0 HB2 ASN A 102 3.907 3.604 1.970 1.00 0.00 H new ATOM 0 HB3 ASN A 102 4.853 3.093 0.585 1.00 0.00 H new ATOM 0 HD21 ASN A 102 7.283 5.544 1.076 1.00 0.00 H new ATOM 0 HD22 ASN A 102 6.817 3.950 0.473 1.00 0.00 H new ATOM 1696 N ARG A 103 3.528 6.539 -0.886 1.00 0.00 N ATOM 1697 CA ARG A 103 3.382 7.977 -1.027 1.00 0.00 C ATOM 1698 C ARG A 103 2.076 8.324 -1.738 1.00 0.00 C ATOM 1699 O ARG A 103 1.331 9.192 -1.278 1.00 0.00 O ATOM 1700 CB ARG A 103 4.563 8.558 -1.804 1.00 0.00 C ATOM 1701 CG ARG A 103 5.775 8.852 -0.936 1.00 0.00 C ATOM 1702 CD ARG A 103 6.528 10.079 -1.429 1.00 0.00 C ATOM 1703 NE ARG A 103 6.957 10.936 -0.327 1.00 0.00 N ATOM 1704 CZ ARG A 103 7.843 10.569 0.597 1.00 0.00 C ATOM 1705 NH1 ARG A 103 8.396 9.364 0.554 1.00 0.00 N ATOM 1706 NH2 ARG A 103 8.176 11.410 1.567 1.00 0.00 N ATOM 0 H ARG A 103 4.117 6.108 -1.598 1.00 0.00 H new ATOM 0 HA ARG A 103 3.362 8.413 -0.028 1.00 0.00 H new ATOM 0 HB2 ARG A 103 4.850 7.859 -2.590 1.00 0.00 H new ATOM 0 HB3 ARG A 103 4.247 9.478 -2.296 1.00 0.00 H new ATOM 0 HG2 ARG A 103 5.457 9.009 0.095 1.00 0.00 H new ATOM 0 HG3 ARG A 103 6.442 7.990 -0.936 1.00 0.00 H new ATOM 0 HD2 ARG A 103 7.399 9.763 -2.003 1.00 0.00 H new ATOM 0 HD3 ARG A 103 5.890 10.649 -2.105 1.00 0.00 H new ATOM 0 HE ARG A 103 6.554 11.871 -0.261 1.00 0.00 H new ATOM 0 HH11 ARG A 103 8.143 8.713 -0.190 1.00 0.00 H new ATOM 0 HH12 ARG A 103 9.074 9.088 1.264 1.00 0.00 H new ATOM 0 HH21 ARG A 103 7.753 12.338 1.605 1.00 0.00 H new ATOM 0 HH22 ARG A 103 8.855 11.129 2.275 1.00 0.00 H new ATOM 1720 N LYS A 104 1.779 7.647 -2.856 1.00 0.00 N ATOM 1721 CA LYS A 104 0.545 7.924 -3.573 1.00 0.00 C ATOM 1722 C LYS A 104 -0.609 7.222 -2.870 1.00 0.00 C ATOM 1723 O LYS A 104 -1.648 7.819 -2.599 1.00 0.00 O ATOM 1724 CB LYS A 104 0.688 7.492 -5.043 1.00 0.00 C ATOM 1725 CG LYS A 104 -0.361 6.508 -5.554 1.00 0.00 C ATOM 1726 CD LYS A 104 0.273 5.253 -6.137 1.00 0.00 C ATOM 1727 CE LYS A 104 1.369 5.579 -7.146 1.00 0.00 C ATOM 1728 NZ LYS A 104 2.300 4.435 -7.348 1.00 0.00 N ATOM 0 H LYS A 104 2.366 6.922 -3.269 1.00 0.00 H new ATOM 0 HA LYS A 104 0.334 8.993 -3.573 1.00 0.00 H new ATOM 0 HB2 LYS A 104 0.656 8.384 -5.668 1.00 0.00 H new ATOM 0 HB3 LYS A 104 1.673 7.045 -5.176 1.00 0.00 H new ATOM 0 HG2 LYS A 104 -1.028 6.232 -4.737 1.00 0.00 H new ATOM 0 HG3 LYS A 104 -0.973 6.993 -6.315 1.00 0.00 H new ATOM 0 HD2 LYS A 104 0.691 4.651 -5.331 1.00 0.00 H new ATOM 0 HD3 LYS A 104 -0.496 4.650 -6.620 1.00 0.00 H new ATOM 0 HE2 LYS A 104 0.915 5.850 -8.099 1.00 0.00 H new ATOM 0 HE3 LYS A 104 1.931 6.447 -6.803 1.00 0.00 H new ATOM 0 HZ1 LYS A 104 3.278 4.751 -7.188 1.00 0.00 H new ATOM 0 HZ2 LYS A 104 2.067 3.675 -6.677 1.00 0.00 H new ATOM 0 HZ3 LYS A 104 2.206 4.079 -8.321 1.00 0.00 H new ATOM 1742 N LEU A 105 -0.386 5.951 -2.563 1.00 0.00 N ATOM 1743 CA LEU A 105 -1.361 5.123 -1.869 1.00 0.00 C ATOM 1744 C LEU A 105 -1.820 5.797 -0.573 1.00 0.00 C ATOM 1745 O LEU A 105 -2.991 5.709 -0.196 1.00 0.00 O ATOM 1746 CB LEU A 105 -0.739 3.757 -1.570 1.00 0.00 C ATOM 1747 CG LEU A 105 -1.690 2.709 -0.999 1.00 0.00 C ATOM 1748 CD1 LEU A 105 -1.107 1.314 -1.158 1.00 0.00 C ATOM 1749 CD2 LEU A 105 -1.976 3.004 0.460 1.00 0.00 C ATOM 0 H LEU A 105 0.481 5.464 -2.790 1.00 0.00 H new ATOM 0 HA LEU A 105 -2.236 4.992 -2.505 1.00 0.00 H new ATOM 0 HB2 LEU A 105 -0.307 3.366 -2.491 1.00 0.00 H new ATOM 0 HB3 LEU A 105 0.082 3.898 -0.867 1.00 0.00 H new ATOM 0 HG LEU A 105 -2.628 2.751 -1.553 1.00 0.00 H new ATOM 0 HD11 LEU A 105 -1.800 0.581 -0.745 1.00 0.00 H new ATOM 0 HD12 LEU A 105 -0.946 1.105 -2.216 1.00 0.00 H new ATOM 0 HD13 LEU A 105 -0.157 1.254 -0.628 1.00 0.00 H new ATOM 0 HD21 LEU A 105 -2.656 2.250 0.857 1.00 0.00 H new ATOM 0 HD22 LEU A 105 -1.044 2.986 1.024 1.00 0.00 H new ATOM 0 HD23 LEU A 105 -2.435 3.989 0.549 1.00 0.00 H new ATOM 1761 N SER A 106 -0.893 6.481 0.097 1.00 0.00 N ATOM 1762 CA SER A 106 -1.210 7.177 1.342 1.00 0.00 C ATOM 1763 C SER A 106 -2.209 8.297 1.091 1.00 0.00 C ATOM 1764 O SER A 106 -3.289 8.327 1.682 1.00 0.00 O ATOM 1765 CB SER A 106 0.059 7.754 1.973 1.00 0.00 C ATOM 1766 OG SER A 106 0.844 8.434 1.010 1.00 0.00 O ATOM 0 H SER A 106 0.079 6.567 -0.200 1.00 0.00 H new ATOM 0 HA SER A 106 -1.652 6.455 2.028 1.00 0.00 H new ATOM 0 HB2 SER A 106 -0.210 8.439 2.777 1.00 0.00 H new ATOM 0 HB3 SER A 106 0.643 6.951 2.421 1.00 0.00 H new ATOM 0 HG SER A 106 1.664 7.925 0.838 1.00 0.00 H new ATOM 1772 N ASP A 107 -1.839 9.218 0.208 1.00 0.00 N ATOM 1773 CA ASP A 107 -2.694 10.349 -0.132 1.00 0.00 C ATOM 1774 C ASP A 107 -4.104 9.889 -0.483 1.00 0.00 C ATOM 1775 O ASP A 107 -5.081 10.592 -0.222 1.00 0.00 O ATOM 1776 CB ASP A 107 -2.106 11.109 -1.314 1.00 0.00 C ATOM 1777 CG ASP A 107 -0.862 11.891 -0.943 1.00 0.00 C ATOM 1778 OD1 ASP A 107 -0.228 11.550 0.078 1.00 0.00 O ATOM 1779 OD2 ASP A 107 -0.520 12.845 -1.673 1.00 0.00 O ATOM 0 H ASP A 107 -0.948 9.203 -0.288 1.00 0.00 H new ATOM 0 HA ASP A 107 -2.747 11.001 0.740 1.00 0.00 H new ATOM 0 HB2 ASP A 107 -1.864 10.405 -2.110 1.00 0.00 H new ATOM 0 HB3 ASP A 107 -2.856 11.793 -1.711 1.00 0.00 H new ATOM 1784 N VAL A 108 -4.199 8.707 -1.078 1.00 0.00 N ATOM 1785 CA VAL A 108 -5.487 8.154 -1.471 1.00 0.00 C ATOM 1786 C VAL A 108 -6.397 8.010 -0.271 1.00 0.00 C ATOM 1787 O VAL A 108 -7.533 8.484 -0.281 1.00 0.00 O ATOM 1788 CB VAL A 108 -5.343 6.775 -2.131 1.00 0.00 C ATOM 1789 CG1 VAL A 108 -6.600 6.413 -2.902 1.00 0.00 C ATOM 1790 CG2 VAL A 108 -4.125 6.740 -3.029 1.00 0.00 C ATOM 0 H VAL A 108 -3.399 8.113 -1.299 1.00 0.00 H new ATOM 0 HA VAL A 108 -5.916 8.851 -2.191 1.00 0.00 H new ATOM 0 HB VAL A 108 -5.206 6.031 -1.346 1.00 0.00 H new ATOM 0 HG11 VAL A 108 -6.475 5.432 -3.361 1.00 0.00 H new ATOM 0 HG12 VAL A 108 -7.451 6.389 -2.221 1.00 0.00 H new ATOM 0 HG13 VAL A 108 -6.778 7.157 -3.678 1.00 0.00 H new ATOM 0 HG21 VAL A 108 -4.039 5.755 -3.488 1.00 0.00 H new ATOM 0 HG22 VAL A 108 -4.225 7.496 -3.808 1.00 0.00 H new ATOM 0 HG23 VAL A 108 -3.232 6.944 -2.439 1.00 0.00 H new ATOM 1800 N TRP A 109 -5.897 7.349 0.765 1.00 0.00 N ATOM 1801 CA TRP A 109 -6.698 7.157 1.967 1.00 0.00 C ATOM 1802 C TRP A 109 -7.066 8.504 2.572 1.00 0.00 C ATOM 1803 O TRP A 109 -8.139 8.663 3.147 1.00 0.00 O ATOM 1804 CB TRP A 109 -5.990 6.290 3.012 1.00 0.00 C ATOM 1805 CG TRP A 109 -6.851 6.047 4.219 1.00 0.00 C ATOM 1806 CD1 TRP A 109 -6.492 6.166 5.531 1.00 0.00 C ATOM 1807 CD2 TRP A 109 -8.232 5.664 4.218 1.00 0.00 C ATOM 1808 NE1 TRP A 109 -7.565 5.882 6.344 1.00 0.00 N ATOM 1809 CE2 TRP A 109 -8.647 5.571 5.560 1.00 0.00 C ATOM 1810 CE3 TRP A 109 -9.159 5.391 3.209 1.00 0.00 C ATOM 1811 CZ2 TRP A 109 -9.952 5.220 5.914 1.00 0.00 C ATOM 1812 CZ3 TRP A 109 -10.447 5.045 3.562 1.00 0.00 C ATOM 1813 CH2 TRP A 109 -10.834 4.964 4.901 1.00 0.00 C ATOM 0 H TRP A 109 -4.961 6.945 0.799 1.00 0.00 H new ATOM 0 HA TRP A 109 -7.603 6.628 1.667 1.00 0.00 H new ATOM 0 HB2 TRP A 109 -5.715 5.335 2.565 1.00 0.00 H new ATOM 0 HB3 TRP A 109 -5.064 6.776 3.319 1.00 0.00 H new ATOM 0 HD1 TRP A 109 -5.508 6.443 5.880 1.00 0.00 H new ATOM 0 HE1 TRP A 109 -7.557 5.900 7.364 1.00 0.00 H new ATOM 0 HE3 TRP A 109 -8.872 5.450 2.170 1.00 0.00 H new ATOM 0 HZ2 TRP A 109 -10.253 5.153 6.949 1.00 0.00 H new ATOM 0 HZ3 TRP A 109 -11.170 4.833 2.788 1.00 0.00 H new ATOM 0 HH2 TRP A 109 -11.851 4.693 5.142 1.00 0.00 H new ATOM 1824 N LYS A 110 -6.177 9.479 2.422 1.00 0.00 N ATOM 1825 CA LYS A 110 -6.427 10.815 2.939 1.00 0.00 C ATOM 1826 C LYS A 110 -7.630 11.426 2.229 1.00 0.00 C ATOM 1827 O LYS A 110 -8.501 12.023 2.856 1.00 0.00 O ATOM 1828 CB LYS A 110 -5.195 11.700 2.745 1.00 0.00 C ATOM 1829 CG LYS A 110 -3.935 11.143 3.391 1.00 0.00 C ATOM 1830 CD LYS A 110 -2.897 12.232 3.620 1.00 0.00 C ATOM 1831 CE LYS A 110 -2.281 12.138 5.008 1.00 0.00 C ATOM 1832 NZ LYS A 110 -0.896 11.592 4.965 1.00 0.00 N ATOM 0 H LYS A 110 -5.281 9.368 1.948 1.00 0.00 H new ATOM 0 HA LYS A 110 -6.639 10.747 4.006 1.00 0.00 H new ATOM 0 HB2 LYS A 110 -5.018 11.832 1.678 1.00 0.00 H new ATOM 0 HB3 LYS A 110 -5.399 12.688 3.159 1.00 0.00 H new ATOM 0 HG2 LYS A 110 -4.189 10.675 4.342 1.00 0.00 H new ATOM 0 HG3 LYS A 110 -3.513 10.364 2.756 1.00 0.00 H new ATOM 0 HD2 LYS A 110 -2.113 12.151 2.867 1.00 0.00 H new ATOM 0 HD3 LYS A 110 -3.361 13.210 3.493 1.00 0.00 H new ATOM 0 HE2 LYS A 110 -2.267 13.127 5.467 1.00 0.00 H new ATOM 0 HE3 LYS A 110 -2.902 11.502 5.639 1.00 0.00 H new ATOM 0 HZ1 LYS A 110 -0.506 11.560 5.928 1.00 0.00 H new ATOM 0 HZ2 LYS A 110 -0.914 10.632 4.566 1.00 0.00 H new ATOM 0 HZ3 LYS A 110 -0.300 12.203 4.370 1.00 0.00 H new ATOM 1846 N GLU A 111 -7.663 11.253 0.910 1.00 0.00 N ATOM 1847 CA GLU A 111 -8.748 11.766 0.076 1.00 0.00 C ATOM 1848 C GLU A 111 -9.966 10.853 0.127 1.00 0.00 C ATOM 1849 O GLU A 111 -11.092 11.269 -0.154 1.00 0.00 O ATOM 1850 CB GLU A 111 -8.273 11.872 -1.368 1.00 0.00 C ATOM 1851 CG GLU A 111 -8.289 13.288 -1.918 1.00 0.00 C ATOM 1852 CD GLU A 111 -7.392 13.453 -3.129 1.00 0.00 C ATOM 1853 OE1 GLU A 111 -6.202 13.082 -3.043 1.00 0.00 O ATOM 1854 OE2 GLU A 111 -7.880 13.955 -4.164 1.00 0.00 O ATOM 0 H GLU A 111 -6.941 10.755 0.390 1.00 0.00 H new ATOM 0 HA GLU A 111 -9.031 12.747 0.458 1.00 0.00 H new ATOM 0 HB2 GLU A 111 -7.259 11.477 -1.437 1.00 0.00 H new ATOM 0 HB3 GLU A 111 -8.904 11.242 -1.995 1.00 0.00 H new ATOM 0 HG2 GLU A 111 -9.310 13.558 -2.187 1.00 0.00 H new ATOM 0 HG3 GLU A 111 -7.972 13.980 -1.138 1.00 0.00 H new ATOM 1861 N LEU A 112 -9.718 9.600 0.462 1.00 0.00 N ATOM 1862 CA LEU A 112 -10.766 8.590 0.528 1.00 0.00 C ATOM 1863 C LEU A 112 -11.473 8.623 1.877 1.00 0.00 C ATOM 1864 O LEU A 112 -12.703 8.625 1.945 1.00 0.00 O ATOM 1865 CB LEU A 112 -10.167 7.201 0.266 1.00 0.00 C ATOM 1866 CG LEU A 112 -11.176 6.051 0.194 1.00 0.00 C ATOM 1867 CD1 LEU A 112 -12.299 6.373 -0.768 1.00 0.00 C ATOM 1868 CD2 LEU A 112 -10.494 4.767 -0.237 1.00 0.00 C ATOM 0 H LEU A 112 -8.788 9.251 0.696 1.00 0.00 H new ATOM 0 HA LEU A 112 -11.507 8.808 -0.241 1.00 0.00 H new ATOM 0 HB2 LEU A 112 -9.613 7.234 -0.672 1.00 0.00 H new ATOM 0 HB3 LEU A 112 -9.447 6.981 1.054 1.00 0.00 H new ATOM 0 HG LEU A 112 -11.595 5.917 1.191 1.00 0.00 H new ATOM 0 HD11 LEU A 112 -13.001 5.540 -0.800 1.00 0.00 H new ATOM 0 HD12 LEU A 112 -12.818 7.272 -0.434 1.00 0.00 H new ATOM 0 HD13 LEU A 112 -11.888 6.540 -1.764 1.00 0.00 H new ATOM 0 HD21 LEU A 112 -11.228 3.962 -0.282 1.00 0.00 H new ATOM 0 HD22 LEU A 112 -10.047 4.905 -1.221 1.00 0.00 H new ATOM 0 HD23 LEU A 112 -9.716 4.509 0.482 1.00 0.00 H new ATOM 1880 N SER A 113 -10.693 8.662 2.948 1.00 0.00 N ATOM 1881 CA SER A 113 -11.252 8.712 4.296 1.00 0.00 C ATOM 1882 C SER A 113 -12.035 10.003 4.488 1.00 0.00 C ATOM 1883 O SER A 113 -13.141 10.001 5.029 1.00 0.00 O ATOM 1884 CB SER A 113 -10.143 8.613 5.349 1.00 0.00 C ATOM 1885 OG SER A 113 -10.487 9.322 6.529 1.00 0.00 O ATOM 0 H SER A 113 -9.674 8.660 2.913 1.00 0.00 H new ATOM 0 HA SER A 113 -11.923 7.862 4.421 1.00 0.00 H new ATOM 0 HB2 SER A 113 -9.961 7.566 5.591 1.00 0.00 H new ATOM 0 HB3 SER A 113 -9.214 9.011 4.941 1.00 0.00 H new ATOM 0 HG SER A 113 -9.762 9.240 7.183 1.00 0.00 H new ATOM 1891 N LEU A 114 -11.449 11.104 4.035 1.00 0.00 N ATOM 1892 CA LEU A 114 -12.082 12.408 4.147 1.00 0.00 C ATOM 1893 C LEU A 114 -13.410 12.425 3.396 1.00 0.00 C ATOM 1894 O LEU A 114 -14.405 12.954 3.889 1.00 0.00 O ATOM 1895 CB LEU A 114 -11.140 13.494 3.613 1.00 0.00 C ATOM 1896 CG LEU A 114 -11.295 13.841 2.130 1.00 0.00 C ATOM 1897 CD1 LEU A 114 -12.446 14.814 1.922 1.00 0.00 C ATOM 1898 CD2 LEU A 114 -10.000 14.420 1.589 1.00 0.00 C ATOM 0 H LEU A 114 -10.533 11.118 3.586 1.00 0.00 H new ATOM 0 HA LEU A 114 -12.287 12.612 5.198 1.00 0.00 H new ATOM 0 HB2 LEU A 114 -11.294 14.401 4.197 1.00 0.00 H new ATOM 0 HB3 LEU A 114 -10.112 13.174 3.786 1.00 0.00 H new ATOM 0 HG LEU A 114 -11.523 12.926 1.582 1.00 0.00 H new ATOM 0 HD11 LEU A 114 -12.538 15.047 0.861 1.00 0.00 H new ATOM 0 HD12 LEU A 114 -13.373 14.362 2.276 1.00 0.00 H new ATOM 0 HD13 LEU A 114 -12.253 15.731 2.479 1.00 0.00 H new ATOM 0 HD21 LEU A 114 -10.123 14.663 0.534 1.00 0.00 H new ATOM 0 HD22 LEU A 114 -9.747 15.324 2.142 1.00 0.00 H new ATOM 0 HD23 LEU A 114 -9.199 13.689 1.702 1.00 0.00 H new ATOM 1910 N LEU A 115 -13.416 11.836 2.204 1.00 0.00 N ATOM 1911 CA LEU A 115 -14.620 11.781 1.390 1.00 0.00 C ATOM 1912 C LEU A 115 -15.672 10.911 2.063 1.00 0.00 C ATOM 1913 O LEU A 115 -16.853 11.258 2.098 1.00 0.00 O ATOM 1914 CB LEU A 115 -14.295 11.238 -0.004 1.00 0.00 C ATOM 1915 CG LEU A 115 -13.724 12.271 -0.979 1.00 0.00 C ATOM 1916 CD1 LEU A 115 -13.387 11.621 -2.315 1.00 0.00 C ATOM 1917 CD2 LEU A 115 -14.705 13.418 -1.171 1.00 0.00 C ATOM 0 H LEU A 115 -12.600 11.391 1.783 1.00 0.00 H new ATOM 0 HA LEU A 115 -15.017 12.791 1.286 1.00 0.00 H new ATOM 0 HB2 LEU A 115 -13.580 10.421 0.097 1.00 0.00 H new ATOM 0 HB3 LEU A 115 -15.203 10.816 -0.435 1.00 0.00 H new ATOM 0 HG LEU A 115 -12.803 12.673 -0.556 1.00 0.00 H new ATOM 0 HD11 LEU A 115 -12.983 12.372 -2.993 1.00 0.00 H new ATOM 0 HD12 LEU A 115 -12.647 10.835 -2.161 1.00 0.00 H new ATOM 0 HD13 LEU A 115 -14.290 11.190 -2.748 1.00 0.00 H new ATOM 0 HD21 LEU A 115 -14.284 14.144 -1.867 1.00 0.00 H new ATOM 0 HD22 LEU A 115 -15.642 13.032 -1.572 1.00 0.00 H new ATOM 0 HD23 LEU A 115 -14.892 13.901 -0.212 1.00 0.00 H new ATOM 1929 N LEU A 116 -15.233 9.782 2.610 1.00 0.00 N ATOM 1930 CA LEU A 116 -16.133 8.869 3.295 1.00 0.00 C ATOM 1931 C LEU A 116 -16.764 9.549 4.501 1.00 0.00 C ATOM 1932 O LEU A 116 -17.958 9.398 4.757 1.00 0.00 O ATOM 1933 CB LEU A 116 -15.382 7.612 3.724 1.00 0.00 C ATOM 1934 CG LEU A 116 -15.320 6.521 2.659 1.00 0.00 C ATOM 1935 CD1 LEU A 116 -14.350 5.422 3.067 1.00 0.00 C ATOM 1936 CD2 LEU A 116 -16.707 5.952 2.415 1.00 0.00 C ATOM 0 H LEU A 116 -14.259 9.480 2.591 1.00 0.00 H new ATOM 0 HA LEU A 116 -16.928 8.582 2.607 1.00 0.00 H new ATOM 0 HB2 LEU A 116 -14.365 7.888 4.003 1.00 0.00 H new ATOM 0 HB3 LEU A 116 -15.858 7.205 4.616 1.00 0.00 H new ATOM 0 HG LEU A 116 -14.956 6.961 1.731 1.00 0.00 H new ATOM 0 HD11 LEU A 116 -14.322 4.655 2.293 1.00 0.00 H new ATOM 0 HD12 LEU A 116 -13.354 5.845 3.195 1.00 0.00 H new ATOM 0 HD13 LEU A 116 -14.678 4.977 4.006 1.00 0.00 H new ATOM 0 HD21 LEU A 116 -16.652 5.174 1.653 1.00 0.00 H new ATOM 0 HD22 LEU A 116 -17.094 5.527 3.341 1.00 0.00 H new ATOM 0 HD23 LEU A 116 -17.372 6.746 2.075 1.00 0.00 H new ATOM 1948 N GLN A 117 -15.959 10.317 5.227 1.00 0.00 N ATOM 1949 CA GLN A 117 -16.447 11.040 6.394 1.00 0.00 C ATOM 1950 C GLN A 117 -17.593 11.969 5.999 1.00 0.00 C ATOM 1951 O GLN A 117 -18.410 12.354 6.832 1.00 0.00 O ATOM 1952 CB GLN A 117 -15.316 11.851 7.030 1.00 0.00 C ATOM 1953 CG GLN A 117 -14.582 11.111 8.137 1.00 0.00 C ATOM 1954 CD GLN A 117 -13.142 11.560 8.280 1.00 0.00 C ATOM 1955 OE1 GLN A 117 -12.831 12.445 9.076 1.00 0.00 O ATOM 1956 NE2 GLN A 117 -12.252 10.949 7.507 1.00 0.00 N ATOM 0 H GLN A 117 -14.968 10.454 5.028 1.00 0.00 H new ATOM 0 HA GLN A 117 -16.813 10.315 7.121 1.00 0.00 H new ATOM 0 HB2 GLN A 117 -14.601 12.131 6.256 1.00 0.00 H new ATOM 0 HB3 GLN A 117 -15.727 12.776 7.434 1.00 0.00 H new ATOM 0 HG2 GLN A 117 -15.103 11.267 9.081 1.00 0.00 H new ATOM 0 HG3 GLN A 117 -14.607 10.041 7.932 1.00 0.00 H new ATOM 0 HE21 GLN A 117 -12.553 10.220 6.860 1.00 0.00 H new ATOM 0 HE22 GLN A 117 -11.267 11.209 7.560 1.00 0.00 H new ATOM 1965 N VAL A 118 -17.638 12.325 4.716 1.00 0.00 N ATOM 1966 CA VAL A 118 -18.677 13.208 4.200 1.00 0.00 C ATOM 1967 C VAL A 118 -19.882 12.422 3.700 1.00 0.00 C ATOM 1968 O VAL A 118 -21.006 12.621 4.160 1.00 0.00 O ATOM 1969 CB VAL A 118 -18.153 14.063 3.033 1.00 0.00 C ATOM 1970 CG1 VAL A 118 -19.099 15.217 2.753 1.00 0.00 C ATOM 1971 CG2 VAL A 118 -16.747 14.561 3.316 1.00 0.00 C ATOM 0 H VAL A 118 -16.965 12.014 4.016 1.00 0.00 H new ATOM 0 HA VAL A 118 -18.974 13.849 5.030 1.00 0.00 H new ATOM 0 HB VAL A 118 -18.109 13.438 2.141 1.00 0.00 H new ATOM 0 HG11 VAL A 118 -18.713 15.811 1.925 1.00 0.00 H new ATOM 0 HG12 VAL A 118 -20.082 14.826 2.492 1.00 0.00 H new ATOM 0 HG13 VAL A 118 -19.182 15.843 3.641 1.00 0.00 H new ATOM 0 HG21 VAL A 118 -16.398 15.163 2.477 1.00 0.00 H new ATOM 0 HG22 VAL A 118 -16.751 15.168 4.221 1.00 0.00 H new ATOM 0 HG23 VAL A 118 -16.080 13.710 3.454 1.00 0.00 H new ATOM 1981 N GLU A 119 -19.636 11.545 2.734 1.00 0.00 N ATOM 1982 CA GLU A 119 -20.699 10.741 2.136 1.00 0.00 C ATOM 1983 C GLU A 119 -21.222 9.675 3.098 1.00 0.00 C ATOM 1984 O GLU A 119 -22.433 9.519 3.259 1.00 0.00 O ATOM 1985 CB GLU A 119 -20.195 10.076 0.854 1.00 0.00 C ATOM 1986 CG GLU A 119 -19.499 11.037 -0.097 1.00 0.00 C ATOM 1987 CD GLU A 119 -20.405 12.164 -0.551 1.00 0.00 C ATOM 1988 OE1 GLU A 119 -21.585 11.892 -0.856 1.00 0.00 O ATOM 1989 OE2 GLU A 119 -19.934 13.320 -0.604 1.00 0.00 O ATOM 0 H GLU A 119 -18.709 11.371 2.346 1.00 0.00 H new ATOM 0 HA GLU A 119 -21.525 11.413 1.904 1.00 0.00 H new ATOM 0 HB2 GLU A 119 -19.504 9.275 1.117 1.00 0.00 H new ATOM 0 HB3 GLU A 119 -21.037 9.614 0.339 1.00 0.00 H new ATOM 0 HG2 GLU A 119 -18.621 11.457 0.394 1.00 0.00 H new ATOM 0 HG3 GLU A 119 -19.144 10.487 -0.969 1.00 0.00 H new ATOM 1996 N GLN A 120 -20.313 8.938 3.725 1.00 0.00 N ATOM 1997 CA GLN A 120 -20.703 7.884 4.656 1.00 0.00 C ATOM 1998 C GLN A 120 -20.902 8.424 6.068 1.00 0.00 C ATOM 1999 O GLN A 120 -21.508 7.763 6.911 1.00 0.00 O ATOM 2000 CB GLN A 120 -19.651 6.775 4.668 1.00 0.00 C ATOM 2001 CG GLN A 120 -20.174 5.447 4.153 1.00 0.00 C ATOM 2002 CD GLN A 120 -19.751 5.173 2.726 1.00 0.00 C ATOM 2003 OE1 GLN A 120 -20.173 5.860 1.796 1.00 0.00 O ATOM 2004 NE2 GLN A 120 -18.910 4.165 2.546 1.00 0.00 N ATOM 0 H GLN A 120 -19.306 9.049 3.607 1.00 0.00 H new ATOM 0 HA GLN A 120 -21.655 7.479 4.314 1.00 0.00 H new ATOM 0 HB2 GLN A 120 -18.801 7.083 4.060 1.00 0.00 H new ATOM 0 HB3 GLN A 120 -19.284 6.643 5.686 1.00 0.00 H new ATOM 0 HG2 GLN A 120 -19.814 4.644 4.796 1.00 0.00 H new ATOM 0 HG3 GLN A 120 -21.262 5.440 4.214 1.00 0.00 H new ATOM 0 HE21 GLN A 120 -18.586 3.622 3.346 1.00 0.00 H new ATOM 0 HE22 GLN A 120 -18.587 3.932 1.607 1.00 0.00 H new ATOM 2013 N ARG A 121 -20.383 9.618 6.329 1.00 0.00 N ATOM 2014 CA ARG A 121 -20.505 10.226 7.647 1.00 0.00 C ATOM 2015 C ARG A 121 -19.805 9.378 8.709 1.00 0.00 C ATOM 2016 O ARG A 121 -20.038 9.556 9.904 1.00 0.00 O ATOM 2017 CB ARG A 121 -21.979 10.407 8.016 1.00 0.00 C ATOM 2018 CG ARG A 121 -22.753 11.260 7.026 1.00 0.00 C ATOM 2019 CD ARG A 121 -24.114 11.655 7.576 1.00 0.00 C ATOM 2020 NE ARG A 121 -24.938 12.324 6.572 1.00 0.00 N ATOM 2021 CZ ARG A 121 -26.182 12.743 6.793 1.00 0.00 C ATOM 2022 NH1 ARG A 121 -26.750 12.564 7.979 1.00 0.00 N ATOM 2023 NH2 ARG A 121 -26.860 13.344 5.824 1.00 0.00 N ATOM 0 H ARG A 121 -19.875 10.182 5.647 1.00 0.00 H new ATOM 0 HA ARG A 121 -20.023 11.203 7.612 1.00 0.00 H new ATOM 0 HB2 ARG A 121 -22.451 9.427 8.085 1.00 0.00 H new ATOM 0 HB3 ARG A 121 -22.044 10.862 9.004 1.00 0.00 H new ATOM 0 HG2 ARG A 121 -22.180 12.157 6.791 1.00 0.00 H new ATOM 0 HG3 ARG A 121 -22.882 10.711 6.093 1.00 0.00 H new ATOM 0 HD2 ARG A 121 -24.632 10.766 7.935 1.00 0.00 H new ATOM 0 HD3 ARG A 121 -23.981 12.315 8.433 1.00 0.00 H new ATOM 0 HE ARG A 121 -24.536 12.479 5.647 1.00 0.00 H new ATOM 0 HH11 ARG A 121 -26.233 12.103 8.728 1.00 0.00 H new ATOM 0 HH12 ARG A 121 -27.704 12.887 8.142 1.00 0.00 H new ATOM 0 HH21 ARG A 121 -26.428 13.485 4.911 1.00 0.00 H new ATOM 0 HH22 ARG A 121 -27.813 13.665 5.992 1.00 0.00 H new ATOM 2037 N MET A 122 -18.949 8.457 8.270 1.00 0.00 N ATOM 2038 CA MET A 122 -18.227 7.592 9.194 1.00 0.00 C ATOM 2039 C MET A 122 -17.046 8.329 9.820 1.00 0.00 C ATOM 2040 O MET A 122 -16.237 8.933 9.116 1.00 0.00 O ATOM 2041 CB MET A 122 -17.750 6.326 8.474 1.00 0.00 C ATOM 2042 CG MET A 122 -16.632 6.558 7.461 1.00 0.00 C ATOM 2043 SD MET A 122 -15.200 5.494 7.748 1.00 0.00 S ATOM 2044 CE MET A 122 -14.092 6.024 6.439 1.00 0.00 C ATOM 0 H MET A 122 -18.741 8.293 7.285 1.00 0.00 H new ATOM 0 HA MET A 122 -18.908 7.303 9.995 1.00 0.00 H new ATOM 0 HB2 MET A 122 -17.406 5.608 9.218 1.00 0.00 H new ATOM 0 HB3 MET A 122 -18.599 5.873 7.962 1.00 0.00 H new ATOM 0 HG2 MET A 122 -17.015 6.381 6.456 1.00 0.00 H new ATOM 0 HG3 MET A 122 -16.319 7.601 7.504 1.00 0.00 H new ATOM 0 HE1 MET A 122 -13.059 5.864 6.750 1.00 0.00 H new ATOM 0 HE2 MET A 122 -14.293 5.447 5.536 1.00 0.00 H new ATOM 0 HE3 MET A 122 -14.250 7.083 6.235 1.00 0.00 H new ATOM 2054 N PRO A 123 -16.925 8.295 11.159 1.00 0.00 N ATOM 2055 CA PRO A 123 -15.829 8.967 11.855 1.00 0.00 C ATOM 2056 C PRO A 123 -14.507 8.245 11.651 1.00 0.00 C ATOM 2057 O PRO A 123 -14.399 7.044 11.897 1.00 0.00 O ATOM 2058 CB PRO A 123 -16.254 8.914 13.323 1.00 0.00 C ATOM 2059 CG PRO A 123 -17.130 7.713 13.417 1.00 0.00 C ATOM 2060 CD PRO A 123 -17.836 7.605 12.092 1.00 0.00 C ATOM 0 HA PRO A 123 -15.664 9.980 11.489 1.00 0.00 H new ATOM 0 HB2 PRO A 123 -15.391 8.828 13.983 1.00 0.00 H new ATOM 0 HB3 PRO A 123 -16.788 9.818 13.614 1.00 0.00 H new ATOM 0 HG2 PRO A 123 -16.543 6.817 13.620 1.00 0.00 H new ATOM 0 HG3 PRO A 123 -17.846 7.816 14.233 1.00 0.00 H new ATOM 0 HD2 PRO A 123 -17.993 6.565 11.804 1.00 0.00 H new ATOM 0 HD3 PRO A 123 -18.817 8.080 12.120 1.00 0.00 H new ATOM 2068 N VAL A 124 -13.508 8.982 11.186 1.00 0.00 N ATOM 2069 CA VAL A 124 -12.197 8.408 10.933 1.00 0.00 C ATOM 2070 C VAL A 124 -11.095 9.249 11.555 1.00 0.00 C ATOM 2071 O VAL A 124 -11.275 10.438 11.816 1.00 0.00 O ATOM 2072 CB VAL A 124 -11.930 8.286 9.423 1.00 0.00 C ATOM 2073 CG1 VAL A 124 -10.703 7.426 9.158 1.00 0.00 C ATOM 2074 CG2 VAL A 124 -13.146 7.722 8.709 1.00 0.00 C ATOM 0 H VAL A 124 -13.582 9.978 10.977 1.00 0.00 H new ATOM 0 HA VAL A 124 -12.193 7.417 11.387 1.00 0.00 H new ATOM 0 HB VAL A 124 -11.735 9.284 9.030 1.00 0.00 H new ATOM 0 HG11 VAL A 124 -10.534 7.354 8.084 1.00 0.00 H new ATOM 0 HG12 VAL A 124 -9.832 7.878 9.633 1.00 0.00 H new ATOM 0 HG13 VAL A 124 -10.862 6.429 9.568 1.00 0.00 H new ATOM 0 HG21 VAL A 124 -12.937 7.643 7.642 1.00 0.00 H new ATOM 0 HG22 VAL A 124 -13.376 6.734 9.108 1.00 0.00 H new ATOM 0 HG23 VAL A 124 -13.998 8.383 8.864 1.00 0.00 H new ATOM 2084 N SER A 125 -9.948 8.623 11.773 1.00 0.00 N ATOM 2085 CA SER A 125 -8.802 9.311 12.348 1.00 0.00 C ATOM 2086 C SER A 125 -7.752 9.552 11.270 1.00 0.00 C ATOM 2087 O SER A 125 -7.859 9.004 10.174 1.00 0.00 O ATOM 2088 CB SER A 125 -8.208 8.487 13.493 1.00 0.00 C ATOM 2089 OG SER A 125 -8.569 9.029 14.752 1.00 0.00 O ATOM 0 H SER A 125 -9.786 7.639 11.560 1.00 0.00 H new ATOM 0 HA SER A 125 -9.128 10.272 12.747 1.00 0.00 H new ATOM 0 HB2 SER A 125 -8.557 7.457 13.423 1.00 0.00 H new ATOM 0 HB3 SER A 125 -7.122 8.462 13.402 1.00 0.00 H new ATOM 0 HG SER A 125 -8.179 8.484 15.467 1.00 0.00 H new ATOM 2095 N PRO A 126 -6.718 10.365 11.557 1.00 0.00 N ATOM 2096 CA PRO A 126 -5.655 10.645 10.587 1.00 0.00 C ATOM 2097 C PRO A 126 -4.989 9.358 10.122 1.00 0.00 C ATOM 2098 O PRO A 126 -3.898 9.010 10.573 1.00 0.00 O ATOM 2099 CB PRO A 126 -4.665 11.523 11.364 1.00 0.00 C ATOM 2100 CG PRO A 126 -5.021 11.343 12.802 1.00 0.00 C ATOM 2101 CD PRO A 126 -6.495 11.059 12.832 1.00 0.00 C ATOM 0 HA PRO A 126 -6.029 11.130 9.686 1.00 0.00 H new ATOM 0 HB2 PRO A 126 -3.636 11.219 11.173 1.00 0.00 H new ATOM 0 HB3 PRO A 126 -4.749 12.568 11.066 1.00 0.00 H new ATOM 0 HG2 PRO A 126 -4.457 10.522 13.244 1.00 0.00 H new ATOM 0 HG3 PRO A 126 -4.784 12.238 13.377 1.00 0.00 H new ATOM 0 HD2 PRO A 126 -6.770 10.438 13.684 1.00 0.00 H new ATOM 0 HD3 PRO A 126 -7.082 11.975 12.902 1.00 0.00 H new ATOM 2109 N ILE A 127 -5.675 8.641 9.237 1.00 0.00 N ATOM 2110 CA ILE A 127 -5.187 7.369 8.720 1.00 0.00 C ATOM 2111 C ILE A 127 -5.304 6.283 9.787 1.00 0.00 C ATOM 2112 O ILE A 127 -5.963 5.267 9.577 1.00 0.00 O ATOM 2113 CB ILE A 127 -3.729 7.459 8.227 1.00 0.00 C ATOM 2114 CG1 ILE A 127 -3.569 8.637 7.262 1.00 0.00 C ATOM 2115 CG2 ILE A 127 -3.322 6.154 7.556 1.00 0.00 C ATOM 2116 CD1 ILE A 127 -2.203 8.719 6.614 1.00 0.00 C ATOM 0 H ILE A 127 -6.580 8.924 8.860 1.00 0.00 H new ATOM 0 HA ILE A 127 -5.810 7.112 7.864 1.00 0.00 H new ATOM 0 HB ILE A 127 -3.075 7.625 9.083 1.00 0.00 H new ATOM 0 HG12 ILE A 127 -4.326 8.560 6.482 1.00 0.00 H new ATOM 0 HG13 ILE A 127 -3.760 9.564 7.802 1.00 0.00 H new ATOM 0 HG21 ILE A 127 -2.291 6.228 7.211 1.00 0.00 H new ATOM 0 HG22 ILE A 127 -3.408 5.335 8.270 1.00 0.00 H new ATOM 0 HG23 ILE A 127 -3.976 5.963 6.705 1.00 0.00 H new ATOM 0 HD11 ILE A 127 -2.169 9.579 5.945 1.00 0.00 H new ATOM 0 HD12 ILE A 127 -1.440 8.829 7.385 1.00 0.00 H new ATOM 0 HD13 ILE A 127 -2.015 7.809 6.045 1.00 0.00 H new ATOM 2128 N SER A 128 -4.669 6.504 10.936 1.00 0.00 N ATOM 2129 CA SER A 128 -4.716 5.538 12.029 1.00 0.00 C ATOM 2130 C SER A 128 -4.236 4.169 11.562 1.00 0.00 C ATOM 2131 O SER A 128 -4.580 3.143 12.149 1.00 0.00 O ATOM 2132 CB SER A 128 -6.138 5.432 12.583 1.00 0.00 C ATOM 2133 OG SER A 128 -6.333 6.324 13.666 1.00 0.00 O ATOM 0 H SER A 128 -4.118 7.340 11.133 1.00 0.00 H new ATOM 0 HA SER A 128 -4.052 5.887 12.820 1.00 0.00 H new ATOM 0 HB2 SER A 128 -6.856 5.652 11.793 1.00 0.00 H new ATOM 0 HB3 SER A 128 -6.328 4.410 12.911 1.00 0.00 H new ATOM 0 HG SER A 128 -7.103 6.031 14.197 1.00 0.00 H new ATOM 2139 N GLN A 129 -3.436 4.164 10.502 1.00 0.00 N ATOM 2140 CA GLN A 129 -2.900 2.931 9.949 1.00 0.00 C ATOM 2141 C GLN A 129 -1.392 3.045 9.775 1.00 0.00 C ATOM 2142 O GLN A 129 -0.820 2.492 8.836 1.00 0.00 O ATOM 2143 CB GLN A 129 -3.568 2.621 8.606 1.00 0.00 C ATOM 2144 CG GLN A 129 -5.082 2.498 8.696 1.00 0.00 C ATOM 2145 CD GLN A 129 -5.811 3.380 7.695 1.00 0.00 C ATOM 2146 OE1 GLN A 129 -5.280 4.390 7.240 1.00 0.00 O ATOM 2147 NE2 GLN A 129 -7.038 3.007 7.354 1.00 0.00 N ATOM 0 H GLN A 129 -3.144 5.007 10.007 1.00 0.00 H new ATOM 0 HA GLN A 129 -3.110 2.115 10.640 1.00 0.00 H new ATOM 0 HB2 GLN A 129 -3.317 3.407 7.894 1.00 0.00 H new ATOM 0 HB3 GLN A 129 -3.159 1.691 8.211 1.00 0.00 H new ATOM 0 HG2 GLN A 129 -5.367 1.459 8.531 1.00 0.00 H new ATOM 0 HG3 GLN A 129 -5.403 2.760 9.704 1.00 0.00 H new ATOM 0 HE21 GLN A 129 -7.444 2.161 7.754 1.00 0.00 H new ATOM 0 HE22 GLN A 129 -7.575 3.566 6.692 1.00 0.00 H new ATOM 2156 N GLY A 130 -0.755 3.779 10.686 1.00 0.00 N ATOM 2157 CA GLY A 130 0.682 3.968 10.617 1.00 0.00 C ATOM 2158 C GLY A 130 1.124 4.487 9.265 1.00 0.00 C ATOM 2159 O GLY A 130 1.655 3.736 8.453 1.00 0.00 O ATOM 0 H GLY A 130 -1.211 4.246 11.470 1.00 0.00 H new ATOM 0 HA2 GLY A 130 0.993 4.668 11.393 1.00 0.00 H new ATOM 0 HA3 GLY A 130 1.182 3.022 10.823 1.00 0.00 H new ATOM 2163 N ALA A 131 0.893 5.773 9.017 1.00 0.00 N ATOM 2164 CA ALA A 131 1.256 6.391 7.744 1.00 0.00 C ATOM 2165 C ALA A 131 2.750 6.703 7.649 1.00 0.00 C ATOM 2166 O ALA A 131 3.162 7.539 6.845 1.00 0.00 O ATOM 2167 CB ALA A 131 0.442 7.656 7.530 1.00 0.00 C ATOM 0 H ALA A 131 0.455 6.410 9.683 1.00 0.00 H new ATOM 0 HA ALA A 131 1.029 5.670 6.959 1.00 0.00 H new ATOM 0 HB1 ALA A 131 0.719 8.110 6.579 1.00 0.00 H new ATOM 0 HB2 ALA A 131 -0.619 7.408 7.518 1.00 0.00 H new ATOM 0 HB3 ALA A 131 0.642 8.358 8.339 1.00 0.00 H new ATOM 2173 N SER A 132 3.559 6.032 8.463 1.00 0.00 N ATOM 2174 CA SER A 132 5.001 6.249 8.451 1.00 0.00 C ATOM 2175 C SER A 132 5.691 5.356 7.420 1.00 0.00 C ATOM 2176 O SER A 132 6.915 5.222 7.429 1.00 0.00 O ATOM 2177 CB SER A 132 5.585 5.977 9.834 1.00 0.00 C ATOM 2178 OG SER A 132 5.253 7.013 10.744 1.00 0.00 O ATOM 0 H SER A 132 3.242 5.336 9.137 1.00 0.00 H new ATOM 0 HA SER A 132 5.178 7.289 8.177 1.00 0.00 H new ATOM 0 HB2 SER A 132 5.209 5.025 10.210 1.00 0.00 H new ATOM 0 HB3 SER A 132 6.669 5.886 9.762 1.00 0.00 H new ATOM 0 HG SER A 132 5.638 6.813 11.623 1.00 0.00 H new ATOM 2184 N TRP A 133 4.904 4.744 6.536 1.00 0.00 N ATOM 2185 CA TRP A 133 5.449 3.862 5.501 1.00 0.00 C ATOM 2186 C TRP A 133 6.671 4.485 4.834 1.00 0.00 C ATOM 2187 O TRP A 133 7.712 3.847 4.694 1.00 0.00 O ATOM 2188 CB TRP A 133 4.405 3.566 4.419 1.00 0.00 C ATOM 2189 CG TRP A 133 3.005 3.390 4.926 1.00 0.00 C ATOM 2190 CD1 TRP A 133 2.617 2.835 6.109 1.00 0.00 C ATOM 2191 CD2 TRP A 133 1.804 3.765 4.246 1.00 0.00 C ATOM 2192 NE1 TRP A 133 1.244 2.843 6.204 1.00 0.00 N ATOM 2193 CE2 TRP A 133 0.725 3.409 5.072 1.00 0.00 C ATOM 2194 CE3 TRP A 133 1.539 4.368 3.016 1.00 0.00 C ATOM 2195 CZ2 TRP A 133 -0.600 3.635 4.708 1.00 0.00 C ATOM 2196 CZ3 TRP A 133 0.225 4.593 2.654 1.00 0.00 C ATOM 2197 CH2 TRP A 133 -0.830 4.227 3.497 1.00 0.00 C ATOM 0 H TRP A 133 3.889 4.841 6.514 1.00 0.00 H new ATOM 0 HA TRP A 133 5.735 2.934 5.997 1.00 0.00 H new ATOM 0 HB2 TRP A 133 4.414 4.379 3.693 1.00 0.00 H new ATOM 0 HB3 TRP A 133 4.700 2.661 3.887 1.00 0.00 H new ATOM 0 HD1 TRP A 133 3.288 2.446 6.861 1.00 0.00 H new ATOM 0 HE1 TRP A 133 0.702 2.485 6.990 1.00 0.00 H new ATOM 0 HE3 TRP A 133 2.347 4.654 2.359 1.00 0.00 H new ATOM 0 HZ2 TRP A 133 -1.415 3.353 5.358 1.00 0.00 H new ATOM 0 HZ3 TRP A 133 0.008 5.059 1.704 1.00 0.00 H new ATOM 0 HH2 TRP A 133 -1.847 4.416 3.185 1.00 0.00 H new ATOM 2208 N ALA A 134 6.520 5.733 4.412 1.00 0.00 N ATOM 2209 CA ALA A 134 7.592 6.454 3.739 1.00 0.00 C ATOM 2210 C ALA A 134 8.823 6.596 4.628 1.00 0.00 C ATOM 2211 O ALA A 134 9.953 6.610 4.139 1.00 0.00 O ATOM 2212 CB ALA A 134 7.093 7.819 3.291 1.00 0.00 C ATOM 0 H ALA A 134 5.660 6.270 4.525 1.00 0.00 H new ATOM 0 HA ALA A 134 7.891 5.876 2.864 1.00 0.00 H new ATOM 0 HB1 ALA A 134 7.899 8.354 2.788 1.00 0.00 H new ATOM 0 HB2 ALA A 134 6.257 7.693 2.603 1.00 0.00 H new ATOM 0 HB3 ALA A 134 6.765 8.390 4.160 1.00 0.00 H new ATOM 2218 N GLN A 135 8.604 6.699 5.934 1.00 0.00 N ATOM 2219 CA GLN A 135 9.704 6.838 6.881 1.00 0.00 C ATOM 2220 C GLN A 135 10.529 5.558 6.950 1.00 0.00 C ATOM 2221 O GLN A 135 11.754 5.589 6.836 1.00 0.00 O ATOM 2222 CB GLN A 135 9.169 7.190 8.271 1.00 0.00 C ATOM 2223 CG GLN A 135 8.611 8.601 8.369 1.00 0.00 C ATOM 2224 CD GLN A 135 9.558 9.554 9.073 1.00 0.00 C ATOM 2225 OE1 GLN A 135 10.226 9.184 10.037 1.00 0.00 O ATOM 2226 NE2 GLN A 135 9.620 10.790 8.592 1.00 0.00 N ATOM 0 H GLN A 135 7.677 6.689 6.360 1.00 0.00 H new ATOM 0 HA GLN A 135 10.348 7.645 6.533 1.00 0.00 H new ATOM 0 HB2 GLN A 135 8.388 6.480 8.541 1.00 0.00 H new ATOM 0 HB3 GLN A 135 9.971 7.074 9.000 1.00 0.00 H new ATOM 0 HG2 GLN A 135 8.402 8.976 7.367 1.00 0.00 H new ATOM 0 HG3 GLN A 135 7.662 8.576 8.904 1.00 0.00 H new ATOM 0 HE21 GLN A 135 9.048 11.054 7.790 1.00 0.00 H new ATOM 0 HE22 GLN A 135 10.240 11.475 9.024 1.00 0.00 H new ATOM 2235 N GLU A 136 9.849 4.432 7.140 1.00 0.00 N ATOM 2236 CA GLU A 136 10.518 3.138 7.228 1.00 0.00 C ATOM 2237 C GLU A 136 10.897 2.617 5.846 1.00 0.00 C ATOM 2238 O GLU A 136 11.863 1.867 5.699 1.00 0.00 O ATOM 2239 CB GLU A 136 9.616 2.124 7.932 1.00 0.00 C ATOM 2240 CG GLU A 136 9.220 2.534 9.340 1.00 0.00 C ATOM 2241 CD GLU A 136 10.336 2.324 10.344 1.00 0.00 C ATOM 2242 OE1 GLU A 136 11.011 1.275 10.273 1.00 0.00 O ATOM 2243 OE2 GLU A 136 10.535 3.208 11.204 1.00 0.00 O ATOM 0 H GLU A 136 8.834 4.389 7.236 1.00 0.00 H new ATOM 0 HA GLU A 136 11.432 3.273 7.806 1.00 0.00 H new ATOM 0 HB2 GLU A 136 8.714 1.979 7.338 1.00 0.00 H new ATOM 0 HB3 GLU A 136 10.128 1.163 7.973 1.00 0.00 H new ATOM 0 HG2 GLU A 136 8.929 3.584 9.340 1.00 0.00 H new ATOM 0 HG3 GLU A 136 8.346 1.961 9.649 1.00 0.00 H new ATOM 2250 N ASP A 137 10.133 3.014 4.833 1.00 0.00 N ATOM 2251 CA ASP A 137 10.391 2.583 3.466 1.00 0.00 C ATOM 2252 C ASP A 137 11.804 2.950 3.040 1.00 0.00 C ATOM 2253 O ASP A 137 12.520 2.132 2.463 1.00 0.00 O ATOM 2254 CB ASP A 137 9.380 3.216 2.512 1.00 0.00 C ATOM 2255 CG ASP A 137 8.106 2.404 2.396 1.00 0.00 C ATOM 2256 OD1 ASP A 137 7.737 1.735 3.384 1.00 0.00 O ATOM 2257 OD2 ASP A 137 7.477 2.434 1.317 1.00 0.00 O ATOM 0 H ASP A 137 9.330 3.634 4.935 1.00 0.00 H new ATOM 0 HA ASP A 137 10.288 1.499 3.427 1.00 0.00 H new ATOM 0 HB2 ASP A 137 9.137 4.220 2.859 1.00 0.00 H new ATOM 0 HB3 ASP A 137 9.832 3.320 1.526 1.00 0.00 H new ATOM 2262 N GLN A 138 12.202 4.183 3.330 1.00 0.00 N ATOM 2263 CA GLN A 138 13.534 4.648 2.974 1.00 0.00 C ATOM 2264 C GLN A 138 14.572 4.067 3.927 1.00 0.00 C ATOM 2265 O GLN A 138 15.694 3.755 3.526 1.00 0.00 O ATOM 2266 CB GLN A 138 13.589 6.181 2.964 1.00 0.00 C ATOM 2267 CG GLN A 138 13.765 6.810 4.335 1.00 0.00 C ATOM 2268 CD GLN A 138 15.123 7.463 4.513 1.00 0.00 C ATOM 2269 OE1 GLN A 138 15.242 8.502 5.162 1.00 0.00 O ATOM 2270 NE2 GLN A 138 16.157 6.859 3.936 1.00 0.00 N ATOM 0 H GLN A 138 11.624 4.874 3.808 1.00 0.00 H new ATOM 0 HA GLN A 138 13.766 4.300 1.967 1.00 0.00 H new ATOM 0 HB2 GLN A 138 14.411 6.499 2.323 1.00 0.00 H new ATOM 0 HB3 GLN A 138 12.671 6.563 2.517 1.00 0.00 H new ATOM 0 HG2 GLN A 138 12.985 7.556 4.490 1.00 0.00 H new ATOM 0 HG3 GLN A 138 13.632 6.045 5.100 1.00 0.00 H new ATOM 0 HE21 GLN A 138 16.015 5.999 3.407 1.00 0.00 H new ATOM 0 HE22 GLN A 138 17.093 7.256 4.023 1.00 0.00 H new ATOM 2279 N GLN A 139 14.185 3.902 5.190 1.00 0.00 N ATOM 2280 CA GLN A 139 15.079 3.333 6.187 1.00 0.00 C ATOM 2281 C GLN A 139 15.424 1.906 5.793 1.00 0.00 C ATOM 2282 O GLN A 139 16.564 1.462 5.929 1.00 0.00 O ATOM 2283 CB GLN A 139 14.429 3.356 7.572 1.00 0.00 C ATOM 2284 CG GLN A 139 14.443 4.727 8.229 1.00 0.00 C ATOM 2285 CD GLN A 139 15.241 4.751 9.518 1.00 0.00 C ATOM 2286 OE1 GLN A 139 16.186 5.527 9.664 1.00 0.00 O ATOM 2287 NE2 GLN A 139 14.865 3.896 10.463 1.00 0.00 N ATOM 0 H GLN A 139 13.262 4.154 5.543 1.00 0.00 H new ATOM 0 HA GLN A 139 15.990 3.930 6.231 1.00 0.00 H new ATOM 0 HB2 GLN A 139 13.398 3.014 7.486 1.00 0.00 H new ATOM 0 HB3 GLN A 139 14.946 2.647 8.219 1.00 0.00 H new ATOM 0 HG2 GLN A 139 14.862 5.454 7.534 1.00 0.00 H new ATOM 0 HG3 GLN A 139 13.419 5.037 8.435 1.00 0.00 H new ATOM 0 HE21 GLN A 139 14.076 3.270 10.300 1.00 0.00 H new ATOM 0 HE22 GLN A 139 15.365 3.865 11.351 1.00 0.00 H new ATOM 2296 N ASP A 140 14.424 1.203 5.272 1.00 0.00 N ATOM 2297 CA ASP A 140 14.607 -0.168 4.821 1.00 0.00 C ATOM 2298 C ASP A 140 15.189 -0.180 3.413 1.00 0.00 C ATOM 2299 O ASP A 140 15.823 -1.149 3.003 1.00 0.00 O ATOM 2300 CB ASP A 140 13.276 -0.920 4.847 1.00 0.00 C ATOM 2301 CG ASP A 140 12.922 -1.416 6.236 1.00 0.00 C ATOM 2302 OD1 ASP A 140 12.416 -0.608 7.043 1.00 0.00 O ATOM 2303 OD2 ASP A 140 13.150 -2.611 6.517 1.00 0.00 O ATOM 0 H ASP A 140 13.477 1.563 5.152 1.00 0.00 H new ATOM 0 HA ASP A 140 15.301 -0.668 5.496 1.00 0.00 H new ATOM 0 HB2 ASP A 140 12.484 -0.265 4.485 1.00 0.00 H new ATOM 0 HB3 ASP A 140 13.326 -1.767 4.163 1.00 0.00 H new ATOM 2308 N ALA A 141 14.979 0.915 2.684 1.00 0.00 N ATOM 2309 CA ALA A 141 15.491 1.050 1.329 1.00 0.00 C ATOM 2310 C ALA A 141 16.985 1.325 1.357 1.00 0.00 C ATOM 2311 O ALA A 141 17.781 0.542 0.840 1.00 0.00 O ATOM 2312 CB ALA A 141 14.764 2.166 0.591 1.00 0.00 C ATOM 0 H ALA A 141 14.454 1.724 3.015 1.00 0.00 H new ATOM 0 HA ALA A 141 15.316 0.114 0.799 1.00 0.00 H new ATOM 0 HB1 ALA A 141 15.161 2.252 -0.421 1.00 0.00 H new ATOM 0 HB2 ALA A 141 13.699 1.938 0.545 1.00 0.00 H new ATOM 0 HB3 ALA A 141 14.911 3.108 1.120 1.00 0.00 H new ATOM 2318 N ASP A 142 17.362 2.435 1.986 1.00 0.00 N ATOM 2319 CA ASP A 142 18.766 2.799 2.102 1.00 0.00 C ATOM 2320 C ASP A 142 19.544 1.641 2.709 1.00 0.00 C ATOM 2321 O ASP A 142 20.693 1.389 2.349 1.00 0.00 O ATOM 2322 CB ASP A 142 18.925 4.055 2.963 1.00 0.00 C ATOM 2323 CG ASP A 142 19.802 5.100 2.302 1.00 0.00 C ATOM 2324 OD1 ASP A 142 21.038 5.027 2.462 1.00 0.00 O ATOM 2325 OD2 ASP A 142 19.252 5.993 1.624 1.00 0.00 O ATOM 0 H ASP A 142 16.716 3.094 2.421 1.00 0.00 H new ATOM 0 HA ASP A 142 19.160 3.014 1.109 1.00 0.00 H new ATOM 0 HB2 ASP A 142 17.942 4.482 3.163 1.00 0.00 H new ATOM 0 HB3 ASP A 142 19.355 3.780 3.926 1.00 0.00 H new ATOM 2330 N GLU A 143 18.894 0.926 3.624 1.00 0.00 N ATOM 2331 CA GLU A 143 19.504 -0.221 4.276 1.00 0.00 C ATOM 2332 C GLU A 143 19.412 -1.450 3.379 1.00 0.00 C ATOM 2333 O GLU A 143 20.303 -2.299 3.381 1.00 0.00 O ATOM 2334 CB GLU A 143 18.822 -0.497 5.617 1.00 0.00 C ATOM 2335 CG GLU A 143 19.264 0.441 6.728 1.00 0.00 C ATOM 2336 CD GLU A 143 20.114 -0.252 7.774 1.00 0.00 C ATOM 2337 OE1 GLU A 143 19.919 -1.467 7.988 1.00 0.00 O ATOM 2338 OE2 GLU A 143 20.975 0.420 8.381 1.00 0.00 O ATOM 0 H GLU A 143 17.941 1.125 3.929 1.00 0.00 H new ATOM 0 HA GLU A 143 20.555 0.003 4.458 1.00 0.00 H new ATOM 0 HB2 GLU A 143 17.743 -0.414 5.490 1.00 0.00 H new ATOM 0 HB3 GLU A 143 19.029 -1.524 5.916 1.00 0.00 H new ATOM 0 HG2 GLU A 143 19.828 1.268 6.297 1.00 0.00 H new ATOM 0 HG3 GLU A 143 18.384 0.871 7.207 1.00 0.00 H new ATOM 2345 N ASP A 144 18.330 -1.539 2.606 1.00 0.00 N ATOM 2346 CA ASP A 144 18.131 -2.668 1.700 1.00 0.00 C ATOM 2347 C ASP A 144 19.314 -2.814 0.750 1.00 0.00 C ATOM 2348 O ASP A 144 19.974 -3.852 0.716 1.00 0.00 O ATOM 2349 CB ASP A 144 16.840 -2.494 0.895 1.00 0.00 C ATOM 2350 CG ASP A 144 15.713 -3.364 1.415 1.00 0.00 C ATOM 2351 OD1 ASP A 144 15.695 -3.649 2.631 1.00 0.00 O ATOM 2352 OD2 ASP A 144 14.848 -3.762 0.606 1.00 0.00 O ATOM 0 H ASP A 144 17.582 -0.846 2.589 1.00 0.00 H new ATOM 0 HA ASP A 144 18.052 -3.572 2.305 1.00 0.00 H new ATOM 0 HB2 ASP A 144 16.533 -1.449 0.927 1.00 0.00 H new ATOM 0 HB3 ASP A 144 17.031 -2.738 -0.150 1.00 0.00 H new ATOM 2357 N ARG A 145 19.578 -1.765 -0.022 1.00 0.00 N ATOM 2358 CA ARG A 145 20.684 -1.780 -0.972 1.00 0.00 C ATOM 2359 C ARG A 145 22.019 -1.932 -0.248 1.00 0.00 C ATOM 2360 O ARG A 145 22.853 -2.754 -0.627 1.00 0.00 O ATOM 2361 CB ARG A 145 20.684 -0.503 -1.813 1.00 0.00 C ATOM 2362 CG ARG A 145 20.682 0.772 -0.986 1.00 0.00 C ATOM 2363 CD ARG A 145 20.576 2.007 -1.865 1.00 0.00 C ATOM 2364 NE ARG A 145 21.443 3.087 -1.398 1.00 0.00 N ATOM 2365 CZ ARG A 145 21.363 4.342 -1.834 1.00 0.00 C ATOM 2366 NH1 ARG A 145 20.459 4.679 -2.745 1.00 0.00 N ATOM 2367 NH2 ARG A 145 22.190 5.263 -1.357 1.00 0.00 N ATOM 0 H ARG A 145 19.043 -0.897 -0.009 1.00 0.00 H new ATOM 0 HA ARG A 145 20.551 -2.636 -1.633 1.00 0.00 H new ATOM 0 HB2 ARG A 145 21.561 -0.505 -2.460 1.00 0.00 H new ATOM 0 HB3 ARG A 145 19.809 -0.506 -2.462 1.00 0.00 H new ATOM 0 HG2 ARG A 145 19.848 0.751 -0.285 1.00 0.00 H new ATOM 0 HG3 ARG A 145 21.595 0.824 -0.393 1.00 0.00 H new ATOM 0 HD2 ARG A 145 20.841 1.747 -2.890 1.00 0.00 H new ATOM 0 HD3 ARG A 145 19.542 2.353 -1.881 1.00 0.00 H new ATOM 0 HE ARG A 145 22.150 2.866 -0.697 1.00 0.00 H new ATOM 0 HH11 ARG A 145 19.821 3.975 -3.115 1.00 0.00 H new ATOM 0 HH12 ARG A 145 20.402 5.642 -3.075 1.00 0.00 H new ATOM 0 HH21 ARG A 145 22.887 5.009 -0.657 1.00 0.00 H new ATOM 0 HH22 ARG A 145 22.129 6.225 -1.691 1.00 0.00 H new