USER MOD reduce.3.24.130724 H: found=0, std=0, add=1096, rem=0, adj=26 USER MOD reduce.3.24.130724 removed 1096 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 28 TYR OH : rot 80:sc= -1.6! USER MOD Set 1.2: A 123 SER OG : rot -81:sc= 0.843 USER MOD Set 2.1: A 116 LYS NZ :NH3+ -146:sc= 0.11 (180deg=-3.86!) USER MOD Set 2.2: A 124 ASN : amide:sc= -0.514 K(o=-0.4,f=-10!) USER MOD Set 3.1: A 20 ASN : amide:sc= 0.196 K(o=-8.1,f=-1.7) USER MOD Set 3.2: A 24 ASN : amide:sc= -8.11! K(o=-8.1!,f=-0.023) USER MOD Set 3.3: A 30 THR OG1 : rot 93:sc= -0.16 USER MOD Single : A 1 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 1 MET N :NH3+ 175:sc= -1.15! (180deg=-1.24!) USER MOD Single : A 2 MET CE :methyl -161:sc= -0.115 (180deg=-0.588) USER MOD Single : A 3 ASN : amide:sc= -4.27! K(o=-4.3!,f=-1.1) USER MOD Single : A 5 LYS NZ :NH3+ -177:sc= 1.73 (180deg=1.73) USER MOD Single : A 12 GLN : amide:sc= -0.939 K(o=-0.94,f=-3.1!) USER MOD Single : A 13 TYR OH : rot 180:sc= 0 USER MOD Single : A 25 LYS NZ :NH3+ -137:sc= 0.221 (180deg=-0.34) USER MOD Single : A 29 GLN : amide:sc= -0.118 K(o=-0.12,f=-1.1) USER MOD Single : A 32 GLN : amide:sc= -1.42! C(o=-1.4!,f=-8.7!) USER MOD Single : A 35 ASN : amide:sc= -2.62! K(o=-2.6!,f=-1.6) USER MOD Single : A 38 GLN : amide:sc= 0 K(o=0,f=-1.3) USER MOD Single : A 44 THR OG1 : rot 76:sc= -0.286 USER MOD Single : A 45 LYS NZ :NH3+ 176:sc= 1.23 (180deg=1.12) USER MOD Single : A 55 MET CE :methyl 171:sc= -3.17! (180deg=-3.54!) USER MOD Single : A 56 LYS NZ :NH3+ 178:sc= 0.403 (180deg=0.37) USER MOD Single : A 60 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 67 LYS NZ :NH3+ 147:sc= 1.04 (180deg=-0.259) USER MOD Single : A 69 MET CE :methyl -164:sc= -4.16 (180deg=-4.93!) USER MOD Single : A 70 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 75 ASN : amide:sc= 0.0878 X(o=0.088,f=-0.083) USER MOD Single : A 81 MET CE :methyl -111:sc= -0.303 (180deg=-4.74!) USER MOD Single : A 82 THR OG1 : rot -120:sc= -0.0229 USER MOD Single : A 84 TYR OH : rot 180:sc= 0 USER MOD Single : A 89 MET CE :methyl 159:sc= -1.51! (180deg=-1.89) USER MOD Single : A 91 GLN : amide:sc= -0.323 X(o=-0.32,f=0) USER MOD Single : A 93 SER OG : rot 60:sc= -0.756 USER MOD Single : A 94 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 100 THR OG1 : rot 180:sc= 0.518 USER MOD Single : A 101 HIS : no HD1:sc= 0 X(o=0,f=0) USER MOD Single : A 104 LYS NZ :NH3+ -147:sc= 1.02 (180deg=0.393) USER MOD Single : A 117 LYS NZ :NH3+ -114:sc= 0.406 (180deg=-0.798) USER MOD Single : A 118 TYR OH : rot 180:sc= 0 USER MOD Single : A 122 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 127 HIS : no HD1:sc= -0.82 X(o=-0.82,f=-0.41) USER MOD Single : A 128 HIS : no HD1:sc= -0.837 K(o=-0.84,f=-0.035) USER MOD Single : A 129 HIS : no HD1:sc=-0.00274 X(o=-0.0027,f=0) USER MOD Single : A 130 HIS : no HE2:sc= 1.14 K(o=1.1,f=-4.7!) USER MOD Single : A 131 HIS : no HE2:sc= 0.994 K(o=0.99,f=-4.9!) USER MOD Single : A 132 HIS : no HD1:sc= 0 X(o=0,f=0) USER MOD ----------------------------------------------------------------- ATOM 1 N MET A 1 9.593 -14.453 1.845 1.00 4.49 N ATOM 2 CA MET A 1 9.823 -15.840 1.382 1.00 3.82 C ATOM 3 C MET A 1 8.525 -16.500 0.922 1.00 2.74 C ATOM 4 O MET A 1 8.550 -17.462 0.157 1.00 3.15 O ATOM 5 CB MET A 1 10.505 -16.673 2.481 1.00 4.63 C ATOM 6 CG MET A 1 9.887 -16.537 3.871 1.00 5.06 C ATOM 7 SD MET A 1 8.259 -17.299 4.015 1.00 6.16 S ATOM 8 CE MET A 1 7.872 -16.958 5.729 1.00 6.68 C ATOM 0 H1 MET A 1 10.478 -14.064 2.229 1.00 4.49 H new ATOM 0 H2 MET A 1 9.275 -13.868 1.046 1.00 4.49 H new ATOM 0 H3 MET A 1 8.864 -14.451 2.587 1.00 4.49 H new ATOM 0 HA MET A 1 10.490 -15.797 0.521 1.00 3.82 H new ATOM 0 HB2 MET A 1 10.479 -17.723 2.189 1.00 4.63 H new ATOM 0 HB3 MET A 1 11.554 -16.384 2.537 1.00 4.63 H new ATOM 0 HG2 MET A 1 10.556 -16.989 4.603 1.00 5.06 H new ATOM 0 HG3 MET A 1 9.807 -15.479 4.122 1.00 5.06 H new ATOM 0 HE1 MET A 1 6.892 -17.369 5.969 1.00 6.68 H new ATOM 0 HE2 MET A 1 8.625 -17.416 6.370 1.00 6.68 H new ATOM 0 HE3 MET A 1 7.864 -15.880 5.893 1.00 6.68 H new ATOM 20 N MET A 2 7.390 -15.986 1.380 1.00 1.94 N ATOM 21 CA MET A 2 6.100 -16.531 0.982 1.00 1.61 C ATOM 22 C MET A 2 5.596 -15.817 -0.265 1.00 1.52 C ATOM 23 O MET A 2 5.607 -16.378 -1.364 1.00 2.24 O ATOM 24 CB MET A 2 5.084 -16.394 2.122 1.00 2.17 C ATOM 25 CG MET A 2 3.690 -16.897 1.772 1.00 2.96 C ATOM 26 SD MET A 2 2.499 -16.629 3.101 1.00 4.18 S ATOM 27 CE MET A 2 3.239 -17.590 4.420 1.00 4.62 C ATOM 0 H MET A 2 7.337 -15.197 2.024 1.00 1.94 H new ATOM 0 HA MET A 2 6.222 -17.591 0.757 1.00 1.61 H new ATOM 0 HB2 MET A 2 5.450 -16.943 2.989 1.00 2.17 H new ATOM 0 HB3 MET A 2 5.019 -15.346 2.413 1.00 2.17 H new ATOM 0 HG2 MET A 2 3.342 -16.393 0.871 1.00 2.96 H new ATOM 0 HG3 MET A 2 3.739 -17.962 1.543 1.00 2.96 H new ATOM 0 HE1 MET A 2 2.487 -17.807 5.178 1.00 4.62 H new ATOM 0 HE2 MET A 2 3.626 -18.525 4.016 1.00 4.62 H new ATOM 0 HE3 MET A 2 4.055 -17.024 4.869 1.00 4.62 H new ATOM 37 N ASN A 3 5.183 -14.569 -0.087 1.00 1.01 N ATOM 38 CA ASN A 3 4.683 -13.748 -1.180 1.00 0.84 C ATOM 39 C ASN A 3 4.580 -12.302 -0.725 1.00 0.67 C ATOM 40 O ASN A 3 3.505 -11.810 -0.371 1.00 0.64 O ATOM 41 CB ASN A 3 3.333 -14.274 -1.686 1.00 0.80 C ATOM 42 CG ASN A 3 2.778 -13.477 -2.851 1.00 0.83 C ATOM 43 OD1 ASN A 3 3.066 -13.760 -4.012 1.00 0.99 O ATOM 44 ND2 ASN A 3 1.976 -12.478 -2.546 1.00 0.83 N ATOM 0 H ASN A 3 5.185 -14.099 0.818 1.00 1.01 H new ATOM 0 HA ASN A 3 5.382 -13.800 -2.014 1.00 0.84 H new ATOM 0 HB2 ASN A 3 3.447 -15.315 -1.988 1.00 0.80 H new ATOM 0 HB3 ASN A 3 2.614 -14.256 -0.867 1.00 0.80 H new ATOM 0 HD21 ASN A 3 1.569 -11.906 -3.286 1.00 0.83 H new ATOM 0 HD22 ASN A 3 1.762 -12.276 -1.569 1.00 0.83 H new ATOM 51 N GLU A 4 5.727 -11.646 -0.674 1.00 0.63 N ATOM 52 CA GLU A 4 5.784 -10.236 -0.353 1.00 0.52 C ATOM 53 C GLU A 4 5.312 -9.410 -1.545 1.00 0.40 C ATOM 54 O GLU A 4 6.094 -8.996 -2.402 1.00 0.47 O ATOM 55 CB GLU A 4 7.190 -9.822 0.107 1.00 0.62 C ATOM 56 CG GLU A 4 8.335 -10.577 -0.559 1.00 1.08 C ATOM 57 CD GLU A 4 8.641 -11.901 0.111 1.00 1.31 C ATOM 58 OE1 GLU A 4 9.407 -11.922 1.097 1.00 1.51 O ATOM 59 OE2 GLU A 4 8.106 -12.931 -0.339 1.00 1.90 O ATOM 0 H GLU A 4 6.635 -12.074 -0.853 1.00 0.63 H new ATOM 0 HA GLU A 4 5.112 -10.042 0.483 1.00 0.52 H new ATOM 0 HB2 GLU A 4 7.319 -8.756 -0.083 1.00 0.62 H new ATOM 0 HB3 GLU A 4 7.260 -9.965 1.185 1.00 0.62 H new ATOM 0 HG2 GLU A 4 8.086 -10.755 -1.605 1.00 1.08 H new ATOM 0 HG3 GLU A 4 9.230 -9.954 -0.546 1.00 1.08 H new ATOM 66 N LYS A 5 4.006 -9.213 -1.598 1.00 0.31 N ATOM 67 CA LYS A 5 3.354 -8.544 -2.712 1.00 0.26 C ATOM 68 C LYS A 5 2.716 -7.249 -2.258 1.00 0.21 C ATOM 69 O LYS A 5 2.434 -7.084 -1.078 1.00 0.21 O ATOM 70 CB LYS A 5 2.272 -9.435 -3.266 1.00 0.29 C ATOM 71 CG LYS A 5 1.864 -9.075 -4.677 1.00 0.34 C ATOM 72 CD LYS A 5 0.357 -9.109 -4.832 1.00 0.39 C ATOM 73 CE LYS A 5 -0.180 -10.529 -4.781 1.00 0.39 C ATOM 74 NZ LYS A 5 0.137 -11.297 -6.017 1.00 0.56 N ATOM 0 H LYS A 5 3.364 -9.514 -0.865 1.00 0.31 H new ATOM 0 HA LYS A 5 4.106 -8.331 -3.472 1.00 0.26 H new ATOM 0 HB2 LYS A 5 2.618 -10.469 -3.248 1.00 0.29 H new ATOM 0 HB3 LYS A 5 1.398 -9.380 -2.617 1.00 0.29 H new ATOM 0 HG2 LYS A 5 2.236 -8.081 -4.925 1.00 0.34 H new ATOM 0 HG3 LYS A 5 2.321 -9.771 -5.380 1.00 0.34 H new ATOM 0 HD2 LYS A 5 -0.104 -8.517 -4.041 1.00 0.39 H new ATOM 0 HD3 LYS A 5 0.078 -8.648 -5.779 1.00 0.39 H new ATOM 0 HE2 LYS A 5 0.242 -11.044 -3.918 1.00 0.39 H new ATOM 0 HE3 LYS A 5 -1.260 -10.502 -4.640 1.00 0.39 H new ATOM 0 HZ1 LYS A 5 -0.292 -12.242 -5.958 1.00 0.56 H new ATOM 0 HZ2 LYS A 5 -0.243 -10.795 -6.845 1.00 0.56 H new ATOM 0 HZ3 LYS A 5 1.168 -11.391 -6.113 1.00 0.56 H new ATOM 88 N ILE A 6 2.459 -6.357 -3.201 1.00 0.21 N ATOM 89 CA ILE A 6 1.817 -5.090 -2.902 1.00 0.20 C ATOM 90 C ILE A 6 0.516 -4.918 -3.690 1.00 0.23 C ATOM 91 O ILE A 6 0.446 -5.246 -4.869 1.00 0.40 O ATOM 92 CB ILE A 6 2.768 -3.912 -3.194 1.00 0.20 C ATOM 93 CG1 ILE A 6 3.958 -3.952 -2.232 1.00 0.22 C ATOM 94 CG2 ILE A 6 2.038 -2.582 -3.103 1.00 0.21 C ATOM 95 CD1 ILE A 6 4.917 -2.799 -2.407 1.00 0.27 C ATOM 0 H ILE A 6 2.688 -6.490 -4.186 1.00 0.21 H new ATOM 0 HA ILE A 6 1.573 -5.094 -1.840 1.00 0.20 H new ATOM 0 HB ILE A 6 3.139 -4.011 -4.214 1.00 0.20 H new ATOM 0 HG12 ILE A 6 3.586 -3.952 -1.207 1.00 0.22 H new ATOM 0 HG13 ILE A 6 4.498 -4.888 -2.375 1.00 0.22 H new ATOM 0 HG21 ILE A 6 2.734 -1.770 -3.314 1.00 0.21 H new ATOM 0 HG22 ILE A 6 1.226 -2.562 -3.830 1.00 0.21 H new ATOM 0 HG23 ILE A 6 1.630 -2.459 -2.100 1.00 0.21 H new ATOM 0 HD11 ILE A 6 5.734 -2.894 -1.692 1.00 0.27 H new ATOM 0 HD12 ILE A 6 5.318 -2.810 -3.420 1.00 0.27 H new ATOM 0 HD13 ILE A 6 4.392 -1.860 -2.235 1.00 0.27 H new ATOM 107 N LEU A 7 -0.514 -4.435 -3.007 1.00 0.11 N ATOM 108 CA LEU A 7 -1.786 -4.085 -3.636 1.00 0.11 C ATOM 109 C LEU A 7 -1.936 -2.573 -3.690 1.00 0.14 C ATOM 110 O LEU A 7 -1.548 -1.878 -2.760 1.00 0.29 O ATOM 111 CB LEU A 7 -2.943 -4.702 -2.856 1.00 0.11 C ATOM 112 CG LEU A 7 -3.427 -6.034 -3.406 1.00 0.14 C ATOM 113 CD1 LEU A 7 -4.409 -6.673 -2.455 1.00 0.15 C ATOM 114 CD2 LEU A 7 -4.071 -5.828 -4.762 1.00 0.17 C ATOM 0 H LEU A 7 -0.493 -4.274 -2.000 1.00 0.11 H new ATOM 0 HA LEU A 7 -1.801 -4.478 -4.652 1.00 0.11 H new ATOM 0 HB2 LEU A 7 -2.635 -4.840 -1.820 1.00 0.11 H new ATOM 0 HB3 LEU A 7 -3.777 -4.000 -2.849 1.00 0.11 H new ATOM 0 HG LEU A 7 -2.571 -6.700 -3.516 1.00 0.14 H new ATOM 0 HD11 LEU A 7 -4.745 -7.626 -2.865 1.00 0.15 H new ATOM 0 HD12 LEU A 7 -3.926 -6.842 -1.493 1.00 0.15 H new ATOM 0 HD13 LEU A 7 -5.266 -6.014 -2.320 1.00 0.15 H new ATOM 0 HD21 LEU A 7 -4.416 -6.786 -5.150 1.00 0.17 H new ATOM 0 HD22 LEU A 7 -4.919 -5.151 -4.663 1.00 0.17 H new ATOM 0 HD23 LEU A 7 -3.342 -5.399 -5.449 1.00 0.17 H new ATOM 126 N ILE A 8 -2.478 -2.064 -4.782 1.00 0.08 N ATOM 127 CA ILE A 8 -2.584 -0.627 -4.979 1.00 0.08 C ATOM 128 C ILE A 8 -3.992 -0.222 -5.416 1.00 0.08 C ATOM 129 O ILE A 8 -4.417 -0.517 -6.534 1.00 0.10 O ATOM 130 CB ILE A 8 -1.562 -0.172 -6.031 1.00 0.10 C ATOM 131 CG1 ILE A 8 -0.154 -0.533 -5.566 1.00 0.11 C ATOM 132 CG2 ILE A 8 -1.678 1.324 -6.279 1.00 0.12 C ATOM 133 CD1 ILE A 8 0.834 -0.636 -6.694 1.00 0.12 C ATOM 0 H ILE A 8 -2.852 -2.624 -5.548 1.00 0.08 H new ATOM 0 HA ILE A 8 -2.376 -0.140 -4.026 1.00 0.08 H new ATOM 0 HB ILE A 8 -1.768 -0.684 -6.971 1.00 0.10 H new ATOM 0 HG12 ILE A 8 0.191 0.219 -4.857 1.00 0.11 H new ATOM 0 HG13 ILE A 8 -0.187 -1.483 -5.033 1.00 0.11 H new ATOM 0 HG21 ILE A 8 -0.946 1.627 -7.027 1.00 0.12 H new ATOM 0 HG22 ILE A 8 -2.681 1.557 -6.638 1.00 0.12 H new ATOM 0 HG23 ILE A 8 -1.491 1.862 -5.350 1.00 0.12 H new ATOM 0 HD11 ILE A 8 1.815 -0.895 -6.296 1.00 0.12 H new ATOM 0 HD12 ILE A 8 0.510 -1.408 -7.392 1.00 0.12 H new ATOM 0 HD13 ILE A 8 0.894 0.320 -7.213 1.00 0.12 H new ATOM 145 N VAL A 9 -4.716 0.445 -4.530 1.00 0.09 N ATOM 146 CA VAL A 9 -6.068 0.886 -4.835 1.00 0.10 C ATOM 147 C VAL A 9 -6.074 2.300 -5.439 1.00 0.14 C ATOM 148 O VAL A 9 -5.774 3.275 -4.755 1.00 0.17 O ATOM 149 CB VAL A 9 -6.949 0.853 -3.569 1.00 0.11 C ATOM 150 CG1 VAL A 9 -8.320 1.450 -3.838 1.00 0.14 C ATOM 151 CG2 VAL A 9 -7.083 -0.577 -3.069 1.00 0.11 C ATOM 0 H VAL A 9 -4.390 0.692 -3.596 1.00 0.09 H new ATOM 0 HA VAL A 9 -6.479 0.197 -5.573 1.00 0.10 H new ATOM 0 HB VAL A 9 -6.467 1.457 -2.800 1.00 0.11 H new ATOM 0 HG11 VAL A 9 -8.918 1.413 -2.927 1.00 0.14 H new ATOM 0 HG12 VAL A 9 -8.209 2.486 -4.157 1.00 0.14 H new ATOM 0 HG13 VAL A 9 -8.818 0.880 -4.622 1.00 0.14 H new ATOM 0 HG21 VAL A 9 -7.706 -0.593 -2.175 1.00 0.11 H new ATOM 0 HG22 VAL A 9 -7.543 -1.191 -3.843 1.00 0.11 H new ATOM 0 HG23 VAL A 9 -6.096 -0.973 -2.830 1.00 0.11 H new ATOM 161 N ASP A 10 -6.391 2.386 -6.730 1.00 0.17 N ATOM 162 CA ASP A 10 -6.527 3.656 -7.436 1.00 0.21 C ATOM 163 C ASP A 10 -7.605 3.556 -8.516 1.00 0.24 C ATOM 164 O ASP A 10 -7.748 2.522 -9.163 1.00 0.38 O ATOM 165 CB ASP A 10 -5.209 4.045 -8.095 1.00 0.23 C ATOM 166 CG ASP A 10 -5.370 5.224 -9.032 1.00 0.76 C ATOM 167 OD1 ASP A 10 -5.957 6.239 -8.605 1.00 0.78 O ATOM 168 OD2 ASP A 10 -4.883 5.158 -10.184 1.00 1.27 O ATOM 0 H ASP A 10 -6.562 1.570 -7.318 1.00 0.17 H new ATOM 0 HA ASP A 10 -6.809 4.415 -6.706 1.00 0.21 H new ATOM 0 HB2 ASP A 10 -4.477 4.291 -7.325 1.00 0.23 H new ATOM 0 HB3 ASP A 10 -4.815 3.193 -8.649 1.00 0.23 H new ATOM 173 N ASP A 11 -8.344 4.638 -8.730 1.00 0.29 N ATOM 174 CA ASP A 11 -9.399 4.652 -9.740 1.00 0.30 C ATOM 175 C ASP A 11 -8.899 5.268 -11.035 1.00 0.28 C ATOM 176 O ASP A 11 -9.409 4.971 -12.114 1.00 0.32 O ATOM 177 CB ASP A 11 -10.613 5.429 -9.250 1.00 0.39 C ATOM 178 CG ASP A 11 -11.766 5.395 -10.230 1.00 0.79 C ATOM 179 OD1 ASP A 11 -12.390 4.327 -10.385 1.00 0.76 O ATOM 180 OD2 ASP A 11 -12.056 6.443 -10.846 1.00 1.40 O ATOM 0 H ASP A 11 -8.234 5.515 -8.221 1.00 0.29 H new ATOM 0 HA ASP A 11 -9.689 3.617 -9.923 1.00 0.30 H new ATOM 0 HB2 ASP A 11 -10.941 5.017 -8.296 1.00 0.39 H new ATOM 0 HB3 ASP A 11 -10.327 6.465 -9.069 1.00 0.39 H new ATOM 185 N GLN A 12 -7.874 6.103 -10.925 1.00 0.30 N ATOM 186 CA GLN A 12 -7.377 6.846 -12.073 1.00 0.35 C ATOM 187 C GLN A 12 -6.619 5.937 -13.030 1.00 0.31 C ATOM 188 O GLN A 12 -6.320 6.320 -14.163 1.00 0.38 O ATOM 189 CB GLN A 12 -6.471 7.984 -11.620 1.00 0.45 C ATOM 190 CG GLN A 12 -7.218 9.058 -10.861 1.00 0.59 C ATOM 191 CD GLN A 12 -8.266 9.743 -11.717 1.00 1.07 C ATOM 192 OE1 GLN A 12 -9.413 9.301 -11.790 1.00 1.90 O ATOM 193 NE2 GLN A 12 -7.880 10.823 -12.373 1.00 1.77 N ATOM 0 H GLN A 12 -7.373 6.282 -10.055 1.00 0.30 H new ATOM 0 HA GLN A 12 -8.238 7.260 -12.598 1.00 0.35 H new ATOM 0 HB2 GLN A 12 -5.679 7.583 -10.988 1.00 0.45 H new ATOM 0 HB3 GLN A 12 -5.990 8.428 -12.491 1.00 0.45 H new ATOM 0 HG2 GLN A 12 -7.697 8.616 -9.988 1.00 0.59 H new ATOM 0 HG3 GLN A 12 -6.509 9.801 -10.494 1.00 0.59 H new ATOM 0 HE21 GLN A 12 -6.920 11.157 -12.286 1.00 1.77 H new ATOM 0 HE22 GLN A 12 -8.542 11.323 -12.967 1.00 1.77 H new ATOM 202 N TYR A 13 -6.282 4.751 -12.530 1.00 0.24 N ATOM 203 CA TYR A 13 -5.545 3.729 -13.273 1.00 0.23 C ATOM 204 C TYR A 13 -4.064 4.074 -13.360 1.00 0.22 C ATOM 205 O TYR A 13 -3.207 3.208 -13.192 1.00 0.29 O ATOM 206 CB TYR A 13 -6.125 3.488 -14.672 1.00 0.30 C ATOM 207 CG TYR A 13 -5.306 2.521 -15.501 1.00 0.42 C ATOM 208 CD1 TYR A 13 -5.296 1.162 -15.214 1.00 0.56 C ATOM 209 CD2 TYR A 13 -4.556 2.968 -16.580 1.00 0.53 C ATOM 210 CE1 TYR A 13 -4.558 0.277 -15.977 1.00 0.72 C ATOM 211 CE2 TYR A 13 -3.819 2.091 -17.351 1.00 0.67 C ATOM 212 CZ TYR A 13 -3.782 0.743 -17.002 1.00 0.76 C ATOM 213 OH TYR A 13 -3.088 -0.128 -17.816 1.00 0.92 O ATOM 0 H TYR A 13 -6.517 4.467 -11.579 1.00 0.24 H new ATOM 0 HA TYR A 13 -5.654 2.799 -12.714 1.00 0.23 H new ATOM 0 HB2 TYR A 13 -7.140 3.104 -14.576 1.00 0.30 H new ATOM 0 HB3 TYR A 13 -6.193 4.440 -15.199 1.00 0.30 H new ATOM 0 HD1 TYR A 13 -5.874 0.791 -14.381 1.00 0.56 H new ATOM 0 HD2 TYR A 13 -4.549 4.021 -16.821 1.00 0.53 H new ATOM 0 HE1 TYR A 13 -4.594 -0.781 -15.764 1.00 0.72 H new ATOM 0 HE2 TYR A 13 -3.277 2.446 -18.215 1.00 0.67 H new ATOM 0 HH TYR A 13 -2.591 0.380 -18.491 1.00 0.92 H new ATOM 223 N GLY A 14 -3.762 5.334 -13.603 1.00 0.22 N ATOM 224 CA GLY A 14 -2.384 5.740 -13.719 1.00 0.25 C ATOM 225 C GLY A 14 -1.662 5.724 -12.399 1.00 0.23 C ATOM 226 O GLY A 14 -0.510 5.308 -12.338 1.00 0.22 O ATOM 0 H GLY A 14 -4.445 6.082 -13.722 1.00 0.22 H new ATOM 0 HA2 GLY A 14 -1.872 5.078 -14.417 1.00 0.25 H new ATOM 0 HA3 GLY A 14 -2.339 6.744 -14.141 1.00 0.25 H new ATOM 230 N ILE A 15 -2.337 6.148 -11.336 1.00 0.24 N ATOM 231 CA ILE A 15 -1.717 6.179 -10.018 1.00 0.23 C ATOM 232 C ILE A 15 -1.345 4.773 -9.600 1.00 0.20 C ATOM 233 O ILE A 15 -0.247 4.532 -9.086 1.00 0.19 O ATOM 234 CB ILE A 15 -2.647 6.754 -8.932 1.00 0.24 C ATOM 235 CG1 ILE A 15 -3.335 8.037 -9.422 1.00 0.28 C ATOM 236 CG2 ILE A 15 -1.863 7.019 -7.652 1.00 0.25 C ATOM 237 CD1 ILE A 15 -2.385 9.189 -9.676 1.00 0.29 C ATOM 0 H ILE A 15 -3.304 6.472 -11.361 1.00 0.24 H new ATOM 0 HA ILE A 15 -0.842 6.824 -10.103 1.00 0.23 H new ATOM 0 HB ILE A 15 -3.422 6.018 -8.719 1.00 0.24 H new ATOM 0 HG12 ILE A 15 -3.877 7.817 -10.342 1.00 0.28 H new ATOM 0 HG13 ILE A 15 -4.074 8.346 -8.682 1.00 0.28 H new ATOM 0 HG21 ILE A 15 -2.532 7.425 -6.893 1.00 0.25 H new ATOM 0 HG22 ILE A 15 -1.429 6.086 -7.292 1.00 0.25 H new ATOM 0 HG23 ILE A 15 -1.067 7.735 -7.855 1.00 0.25 H new ATOM 0 HD11 ILE A 15 -2.949 10.057 -10.019 1.00 0.29 H new ATOM 0 HD12 ILE A 15 -1.861 9.438 -8.753 1.00 0.29 H new ATOM 0 HD13 ILE A 15 -1.661 8.902 -10.439 1.00 0.29 H new ATOM 249 N ARG A 16 -2.266 3.837 -9.825 1.00 0.19 N ATOM 250 CA ARG A 16 -1.995 2.461 -9.496 1.00 0.17 C ATOM 251 C ARG A 16 -0.784 1.974 -10.261 1.00 0.16 C ATOM 252 O ARG A 16 0.099 1.345 -9.690 1.00 0.16 O ATOM 253 CB ARG A 16 -3.179 1.525 -9.754 1.00 0.19 C ATOM 254 CG ARG A 16 -4.269 2.048 -10.667 1.00 0.24 C ATOM 255 CD ARG A 16 -5.306 0.963 -10.897 1.00 0.38 C ATOM 256 NE ARG A 16 -6.563 1.450 -11.459 1.00 0.76 N ATOM 257 CZ ARG A 16 -7.330 0.731 -12.281 1.00 0.67 C ATOM 258 NH1 ARG A 16 -6.881 -0.418 -12.777 1.00 0.95 N ATOM 259 NH2 ARG A 16 -8.530 1.173 -12.636 1.00 1.51 N ATOM 0 H ARG A 16 -3.187 4.013 -10.227 1.00 0.19 H new ATOM 0 HA ARG A 16 -1.804 2.435 -8.423 1.00 0.17 H new ATOM 0 HB2 ARG A 16 -2.794 0.598 -10.179 1.00 0.19 H new ATOM 0 HB3 ARG A 16 -3.630 1.273 -8.794 1.00 0.19 H new ATOM 0 HG2 ARG A 16 -4.739 2.926 -10.223 1.00 0.24 H new ATOM 0 HG3 ARG A 16 -3.840 2.363 -11.618 1.00 0.24 H new ATOM 0 HD2 ARG A 16 -4.888 0.212 -11.567 1.00 0.38 H new ATOM 0 HD3 ARG A 16 -5.512 0.466 -9.949 1.00 0.38 H new ATOM 0 HE ARG A 16 -6.871 2.390 -11.210 1.00 0.76 H new ATOM 0 HH11 ARG A 16 -5.949 -0.751 -12.529 1.00 0.95 H new ATOM 0 HH12 ARG A 16 -7.468 -0.967 -13.405 1.00 0.95 H new ATOM 0 HH21 ARG A 16 -8.870 2.066 -12.280 1.00 1.51 H new ATOM 0 HH22 ARG A 16 -9.112 0.619 -13.265 1.00 1.51 H new ATOM 273 N ILE A 17 -0.738 2.283 -11.548 1.00 0.17 N ATOM 274 CA ILE A 17 0.398 1.911 -12.380 1.00 0.18 C ATOM 275 C ILE A 17 1.677 2.576 -11.877 1.00 0.19 C ATOM 276 O ILE A 17 2.733 1.957 -11.882 1.00 0.19 O ATOM 277 CB ILE A 17 0.166 2.279 -13.865 1.00 0.21 C ATOM 278 CG1 ILE A 17 -1.030 1.504 -14.429 1.00 0.19 C ATOM 279 CG2 ILE A 17 1.413 2.004 -14.694 1.00 0.28 C ATOM 280 CD1 ILE A 17 -0.872 0.001 -14.362 1.00 0.23 C ATOM 0 H ILE A 17 -1.474 2.790 -12.040 1.00 0.17 H new ATOM 0 HA ILE A 17 0.505 0.828 -12.311 1.00 0.18 H new ATOM 0 HB ILE A 17 -0.052 3.346 -13.919 1.00 0.21 H new ATOM 0 HG12 ILE A 17 -1.927 1.790 -13.880 1.00 0.19 H new ATOM 0 HG13 ILE A 17 -1.184 1.798 -15.467 1.00 0.19 H new ATOM 0 HG21 ILE A 17 1.225 2.271 -15.734 1.00 0.28 H new ATOM 0 HG22 ILE A 17 2.243 2.598 -14.311 1.00 0.28 H new ATOM 0 HG23 ILE A 17 1.666 0.946 -14.631 1.00 0.28 H new ATOM 0 HD11 ILE A 17 -1.758 -0.477 -14.779 1.00 0.23 H new ATOM 0 HD12 ILE A 17 0.006 -0.298 -14.935 1.00 0.23 H new ATOM 0 HD13 ILE A 17 -0.749 -0.306 -13.323 1.00 0.23 H new ATOM 292 N LEU A 18 1.570 3.822 -11.413 1.00 0.20 N ATOM 293 CA LEU A 18 2.731 4.545 -10.892 1.00 0.21 C ATOM 294 C LEU A 18 3.379 3.766 -9.765 1.00 0.18 C ATOM 295 O LEU A 18 4.595 3.590 -9.732 1.00 0.18 O ATOM 296 CB LEU A 18 2.340 5.929 -10.366 1.00 0.23 C ATOM 297 CG LEU A 18 1.701 6.864 -11.383 1.00 0.26 C ATOM 298 CD1 LEU A 18 1.363 8.198 -10.739 1.00 0.31 C ATOM 299 CD2 LEU A 18 2.616 7.065 -12.583 1.00 0.29 C ATOM 0 H LEU A 18 0.697 4.349 -11.387 1.00 0.20 H new ATOM 0 HA LEU A 18 3.433 4.663 -11.718 1.00 0.21 H new ATOM 0 HB2 LEU A 18 1.648 5.799 -9.534 1.00 0.23 H new ATOM 0 HB3 LEU A 18 3.232 6.411 -9.966 1.00 0.23 H new ATOM 0 HG LEU A 18 0.777 6.406 -11.735 1.00 0.26 H new ATOM 0 HD11 LEU A 18 0.907 8.855 -11.480 1.00 0.31 H new ATOM 0 HD12 LEU A 18 0.665 8.039 -9.917 1.00 0.31 H new ATOM 0 HD13 LEU A 18 2.274 8.659 -10.357 1.00 0.31 H new ATOM 0 HD21 LEU A 18 2.138 7.737 -13.296 1.00 0.29 H new ATOM 0 HD22 LEU A 18 3.560 7.498 -12.252 1.00 0.29 H new ATOM 0 HD23 LEU A 18 2.806 6.104 -13.061 1.00 0.29 H new ATOM 311 N LEU A 19 2.558 3.283 -8.847 1.00 0.16 N ATOM 312 CA LEU A 19 3.067 2.501 -7.734 1.00 0.13 C ATOM 313 C LEU A 19 3.410 1.101 -8.202 1.00 0.12 C ATOM 314 O LEU A 19 4.359 0.502 -7.731 1.00 0.11 O ATOM 315 CB LEU A 19 2.055 2.439 -6.590 1.00 0.14 C ATOM 316 CG LEU A 19 1.503 3.782 -6.127 1.00 0.14 C ATOM 317 CD1 LEU A 19 0.706 3.618 -4.845 1.00 0.14 C ATOM 318 CD2 LEU A 19 2.625 4.791 -5.939 1.00 0.17 C ATOM 0 H LEU A 19 1.547 3.417 -8.850 1.00 0.16 H new ATOM 0 HA LEU A 19 3.967 2.989 -7.360 1.00 0.13 H new ATOM 0 HB2 LEU A 19 1.220 1.811 -6.901 1.00 0.14 H new ATOM 0 HB3 LEU A 19 2.525 1.947 -5.739 1.00 0.14 H new ATOM 0 HG LEU A 19 0.834 4.161 -6.900 1.00 0.14 H new ATOM 0 HD11 LEU A 19 0.320 4.587 -4.530 1.00 0.14 H new ATOM 0 HD12 LEU A 19 -0.126 2.935 -5.018 1.00 0.14 H new ATOM 0 HD13 LEU A 19 1.351 3.213 -4.065 1.00 0.14 H new ATOM 0 HD21 LEU A 19 2.207 5.742 -5.608 1.00 0.17 H new ATOM 0 HD22 LEU A 19 3.325 4.422 -5.189 1.00 0.17 H new ATOM 0 HD23 LEU A 19 3.148 4.934 -6.884 1.00 0.17 H new ATOM 330 N ASN A 20 2.637 0.595 -9.146 1.00 0.12 N ATOM 331 CA ASN A 20 2.887 -0.724 -9.712 1.00 0.12 C ATOM 332 C ASN A 20 4.291 -0.784 -10.310 1.00 0.13 C ATOM 333 O ASN A 20 5.085 -1.656 -9.968 1.00 0.14 O ATOM 334 CB ASN A 20 1.837 -1.046 -10.785 1.00 0.15 C ATOM 335 CG ASN A 20 0.703 -1.917 -10.267 1.00 0.17 C ATOM 336 OD1 ASN A 20 0.745 -3.141 -10.375 1.00 0.20 O ATOM 337 ND2 ASN A 20 -0.314 -1.295 -9.692 1.00 0.19 N ATOM 0 H ASN A 20 1.828 1.077 -9.539 1.00 0.12 H new ATOM 0 HA ASN A 20 2.815 -1.467 -8.918 1.00 0.12 H new ATOM 0 HB2 ASN A 20 1.424 -0.114 -11.172 1.00 0.15 H new ATOM 0 HB3 ASN A 20 2.323 -1.551 -11.620 1.00 0.15 H new ATOM 0 HD21 ASN A 20 -1.097 -1.833 -9.321 1.00 0.19 H new ATOM 0 HD22 ASN A 20 -0.315 -0.278 -9.620 1.00 0.19 H new ATOM 344 N GLU A 21 4.610 0.182 -11.162 1.00 0.15 N ATOM 345 CA GLU A 21 5.883 0.190 -11.867 1.00 0.17 C ATOM 346 C GLU A 21 7.046 0.591 -10.958 1.00 0.17 C ATOM 347 O GLU A 21 8.170 0.162 -11.179 1.00 0.23 O ATOM 348 CB GLU A 21 5.830 1.118 -13.084 1.00 0.19 C ATOM 349 CG GLU A 21 5.543 2.571 -12.740 1.00 0.21 C ATOM 350 CD GLU A 21 5.676 3.488 -13.935 1.00 0.27 C ATOM 351 OE1 GLU A 21 4.680 3.682 -14.663 1.00 0.33 O ATOM 352 OE2 GLU A 21 6.788 4.010 -14.163 1.00 0.40 O ATOM 0 H GLU A 21 4.002 0.971 -11.381 1.00 0.15 H new ATOM 0 HA GLU A 21 6.060 -0.832 -12.203 1.00 0.17 H new ATOM 0 HB2 GLU A 21 6.781 1.061 -13.613 1.00 0.19 H new ATOM 0 HB3 GLU A 21 5.062 0.759 -13.769 1.00 0.19 H new ATOM 0 HG2 GLU A 21 4.534 2.652 -12.335 1.00 0.21 H new ATOM 0 HG3 GLU A 21 6.228 2.898 -11.958 1.00 0.21 H new ATOM 359 N VAL A 22 6.782 1.414 -9.946 1.00 0.15 N ATOM 360 CA VAL A 22 7.838 1.871 -9.036 1.00 0.17 C ATOM 361 C VAL A 22 8.067 0.893 -7.899 1.00 0.16 C ATOM 362 O VAL A 22 9.194 0.686 -7.469 1.00 0.20 O ATOM 363 CB VAL A 22 7.537 3.272 -8.476 1.00 0.18 C ATOM 364 CG1 VAL A 22 8.382 3.565 -7.244 1.00 0.27 C ATOM 365 CG2 VAL A 22 7.802 4.317 -9.541 1.00 0.21 C ATOM 0 H VAL A 22 5.853 1.778 -9.733 1.00 0.15 H new ATOM 0 HA VAL A 22 8.753 1.925 -9.626 1.00 0.17 H new ATOM 0 HB VAL A 22 6.487 3.304 -8.184 1.00 0.18 H new ATOM 0 HG11 VAL A 22 8.147 4.562 -6.871 1.00 0.27 H new ATOM 0 HG12 VAL A 22 8.166 2.828 -6.471 1.00 0.27 H new ATOM 0 HG13 VAL A 22 9.439 3.516 -7.507 1.00 0.27 H new ATOM 0 HG21 VAL A 22 7.588 5.308 -9.140 1.00 0.21 H new ATOM 0 HG22 VAL A 22 8.847 4.268 -9.847 1.00 0.21 H new ATOM 0 HG23 VAL A 22 7.162 4.128 -10.403 1.00 0.21 H new ATOM 375 N PHE A 23 7.025 0.283 -7.403 1.00 0.12 N ATOM 376 CA PHE A 23 7.224 -0.782 -6.451 1.00 0.10 C ATOM 377 C PHE A 23 7.977 -1.893 -7.145 1.00 0.11 C ATOM 378 O PHE A 23 9.029 -2.327 -6.691 1.00 0.15 O ATOM 379 CB PHE A 23 5.897 -1.292 -5.896 1.00 0.10 C ATOM 380 CG PHE A 23 5.267 -0.365 -4.892 1.00 0.13 C ATOM 381 CD1 PHE A 23 6.052 0.364 -4.013 1.00 0.32 C ATOM 382 CD2 PHE A 23 3.893 -0.222 -4.827 1.00 0.18 C ATOM 383 CE1 PHE A 23 5.478 1.221 -3.096 1.00 0.38 C ATOM 384 CE2 PHE A 23 3.314 0.632 -3.909 1.00 0.18 C ATOM 385 CZ PHE A 23 4.103 1.340 -3.033 1.00 0.26 C ATOM 0 H PHE A 23 6.054 0.495 -7.632 1.00 0.12 H new ATOM 0 HA PHE A 23 7.796 -0.410 -5.601 1.00 0.10 H new ATOM 0 HB2 PHE A 23 5.202 -1.445 -6.722 1.00 0.10 H new ATOM 0 HB3 PHE A 23 6.058 -2.264 -5.430 1.00 0.10 H new ATOM 0 HD1 PHE A 23 7.126 0.260 -4.046 1.00 0.32 H new ATOM 0 HD2 PHE A 23 3.265 -0.785 -5.502 1.00 0.18 H new ATOM 0 HE1 PHE A 23 6.102 1.797 -2.429 1.00 0.38 H new ATOM 0 HE2 PHE A 23 2.240 0.744 -3.879 1.00 0.18 H new ATOM 0 HZ PHE A 23 3.649 1.988 -2.298 1.00 0.26 H new ATOM 395 N ASN A 24 7.473 -2.300 -8.295 1.00 0.12 N ATOM 396 CA ASN A 24 8.104 -3.356 -9.064 1.00 0.14 C ATOM 397 C ASN A 24 9.493 -2.935 -9.505 1.00 0.18 C ATOM 398 O ASN A 24 10.380 -3.773 -9.641 1.00 0.20 O ATOM 399 CB ASN A 24 7.243 -3.745 -10.266 1.00 0.16 C ATOM 400 CG ASN A 24 6.034 -4.592 -9.884 1.00 0.16 C ATOM 401 OD1 ASN A 24 5.467 -5.291 -10.721 1.00 0.21 O ATOM 402 ND2 ASN A 24 5.661 -4.579 -8.609 1.00 0.15 N ATOM 0 H ASN A 24 6.628 -1.915 -8.717 1.00 0.12 H new ATOM 0 HA ASN A 24 8.200 -4.234 -8.425 1.00 0.14 H new ATOM 0 HB2 ASN A 24 6.902 -2.840 -10.769 1.00 0.16 H new ATOM 0 HB3 ASN A 24 7.854 -4.296 -10.981 1.00 0.16 H new ATOM 0 HD21 ASN A 24 4.883 -5.161 -8.299 1.00 0.15 H new ATOM 0 HD22 ASN A 24 6.153 -3.987 -7.940 1.00 0.15 H new ATOM 409 N LYS A 25 9.691 -1.622 -9.656 1.00 0.19 N ATOM 410 CA LYS A 25 10.992 -1.073 -10.059 1.00 0.25 C ATOM 411 C LYS A 25 11.997 -1.370 -8.982 1.00 0.24 C ATOM 412 O LYS A 25 13.194 -1.523 -9.228 1.00 0.30 O ATOM 413 CB LYS A 25 10.926 0.448 -10.271 1.00 0.28 C ATOM 414 CG LYS A 25 11.386 1.289 -9.070 1.00 0.25 C ATOM 415 CD LYS A 25 11.981 2.614 -9.509 1.00 0.38 C ATOM 416 CE LYS A 25 13.236 2.400 -10.336 1.00 1.18 C ATOM 417 NZ LYS A 25 14.270 1.630 -9.589 1.00 1.65 N ATOM 0 H LYS A 25 8.968 -0.919 -9.506 1.00 0.19 H new ATOM 0 HA LYS A 25 11.280 -1.536 -11.003 1.00 0.25 H new ATOM 0 HB2 LYS A 25 11.540 0.707 -11.134 1.00 0.28 H new ATOM 0 HB3 LYS A 25 9.900 0.722 -10.516 1.00 0.28 H new ATOM 0 HG2 LYS A 25 10.540 1.471 -8.408 1.00 0.25 H new ATOM 0 HG3 LYS A 25 12.125 0.730 -8.496 1.00 0.25 H new ATOM 0 HD2 LYS A 25 11.247 3.171 -10.092 1.00 0.38 H new ATOM 0 HD3 LYS A 25 12.217 3.219 -8.633 1.00 0.38 H new ATOM 0 HE2 LYS A 25 12.980 1.869 -11.253 1.00 1.18 H new ATOM 0 HE3 LYS A 25 13.646 3.366 -10.631 1.00 1.18 H new ATOM 0 HZ1 LYS A 25 15.203 2.062 -9.743 1.00 1.65 H new ATOM 0 HZ2 LYS A 25 14.046 1.643 -8.573 1.00 1.65 H new ATOM 0 HZ3 LYS A 25 14.283 0.647 -9.928 1.00 1.65 H new ATOM 431 N GLU A 26 11.476 -1.433 -7.781 1.00 0.21 N ATOM 432 CA GLU A 26 12.270 -1.716 -6.616 1.00 0.26 C ATOM 433 C GLU A 26 12.423 -3.224 -6.441 1.00 0.36 C ATOM 434 O GLU A 26 12.923 -3.703 -5.427 1.00 0.78 O ATOM 435 CB GLU A 26 11.615 -1.081 -5.396 1.00 0.23 C ATOM 436 CG GLU A 26 11.529 0.427 -5.503 1.00 0.25 C ATOM 437 CD GLU A 26 12.894 1.069 -5.487 1.00 0.44 C ATOM 438 OE1 GLU A 26 13.417 1.329 -4.384 1.00 0.55 O ATOM 439 OE2 GLU A 26 13.447 1.325 -6.578 1.00 0.68 O ATOM 0 H GLU A 26 10.485 -1.289 -7.586 1.00 0.21 H new ATOM 0 HA GLU A 26 13.267 -1.292 -6.735 1.00 0.26 H new ATOM 0 HB2 GLU A 26 10.613 -1.491 -5.271 1.00 0.23 H new ATOM 0 HB3 GLU A 26 12.182 -1.347 -4.504 1.00 0.23 H new ATOM 0 HG2 GLU A 26 11.011 0.697 -6.423 1.00 0.25 H new ATOM 0 HG3 GLU A 26 10.934 0.817 -4.677 1.00 0.25 H new ATOM 446 N GLY A 27 11.983 -3.962 -7.454 1.00 0.19 N ATOM 447 CA GLY A 27 12.064 -5.404 -7.433 1.00 0.21 C ATOM 448 C GLY A 27 10.792 -6.036 -6.913 1.00 0.25 C ATOM 449 O GLY A 27 10.730 -7.249 -6.713 1.00 0.45 O ATOM 0 H GLY A 27 11.566 -3.576 -8.301 1.00 0.19 H new ATOM 0 HA2 GLY A 27 12.265 -5.770 -8.440 1.00 0.21 H new ATOM 0 HA3 GLY A 27 12.903 -5.711 -6.808 1.00 0.21 H new ATOM 453 N TYR A 28 9.760 -5.229 -6.716 1.00 0.15 N ATOM 454 CA TYR A 28 8.569 -5.706 -6.007 1.00 0.15 C ATOM 455 C TYR A 28 7.605 -6.400 -6.950 1.00 0.14 C ATOM 456 O TYR A 28 7.902 -6.622 -8.124 1.00 0.19 O ATOM 457 CB TYR A 28 7.811 -4.563 -5.325 1.00 0.20 C ATOM 458 CG TYR A 28 8.574 -3.800 -4.265 1.00 0.34 C ATOM 459 CD1 TYR A 28 9.902 -4.066 -3.976 1.00 0.84 C ATOM 460 CD2 TYR A 28 7.950 -2.778 -3.572 1.00 0.89 C ATOM 461 CE1 TYR A 28 10.582 -3.329 -3.029 1.00 0.93 C ATOM 462 CE2 TYR A 28 8.619 -2.044 -2.623 1.00 1.04 C ATOM 463 CZ TYR A 28 9.933 -2.324 -2.354 1.00 0.75 C ATOM 464 OH TYR A 28 10.602 -1.591 -1.412 1.00 0.98 O ATOM 0 H TYR A 28 9.716 -4.259 -7.028 1.00 0.15 H new ATOM 0 HA TYR A 28 8.932 -6.406 -5.254 1.00 0.15 H new ATOM 0 HB2 TYR A 28 7.490 -3.858 -6.092 1.00 0.20 H new ATOM 0 HB3 TYR A 28 6.909 -4.972 -4.871 1.00 0.20 H new ATOM 0 HD1 TYR A 28 10.412 -4.861 -4.499 1.00 0.84 H new ATOM 0 HD2 TYR A 28 6.915 -2.552 -3.782 1.00 0.89 H new ATOM 0 HE1 TYR A 28 11.620 -3.541 -2.819 1.00 0.93 H new ATOM 0 HE2 TYR A 28 8.113 -1.251 -2.092 1.00 1.04 H new ATOM 0 HH TYR A 28 11.148 -0.909 -1.856 1.00 0.98 H new ATOM 474 N GLN A 29 6.445 -6.732 -6.415 1.00 0.14 N ATOM 475 CA GLN A 29 5.343 -7.234 -7.201 1.00 0.16 C ATOM 476 C GLN A 29 4.074 -6.539 -6.754 1.00 0.14 C ATOM 477 O GLN A 29 3.800 -6.447 -5.559 1.00 0.17 O ATOM 478 CB GLN A 29 5.226 -8.735 -7.036 1.00 0.23 C ATOM 479 CG GLN A 29 5.356 -9.178 -5.605 1.00 1.14 C ATOM 480 CD GLN A 29 5.835 -10.608 -5.476 1.00 1.32 C ATOM 481 OE1 GLN A 29 6.630 -11.090 -6.283 1.00 1.95 O ATOM 482 NE2 GLN A 29 5.322 -11.304 -4.477 1.00 0.97 N ATOM 0 H GLN A 29 6.244 -6.659 -5.418 1.00 0.14 H new ATOM 0 HA GLN A 29 5.512 -7.029 -8.258 1.00 0.16 H new ATOM 0 HB2 GLN A 29 4.263 -9.065 -7.427 1.00 0.23 H new ATOM 0 HB3 GLN A 29 5.997 -9.222 -7.633 1.00 0.23 H new ATOM 0 HG2 GLN A 29 6.052 -8.518 -5.087 1.00 1.14 H new ATOM 0 HG3 GLN A 29 4.391 -9.077 -5.109 1.00 1.14 H new ATOM 0 HE21 GLN A 29 4.666 -10.863 -3.832 1.00 0.97 H new ATOM 0 HE22 GLN A 29 5.582 -12.282 -4.351 1.00 0.97 H new ATOM 491 N THR A 30 3.314 -6.035 -7.701 1.00 0.13 N ATOM 492 CA THR A 30 2.199 -5.175 -7.375 1.00 0.12 C ATOM 493 C THR A 30 0.919 -5.638 -8.018 1.00 0.14 C ATOM 494 O THR A 30 0.922 -6.416 -8.974 1.00 0.21 O ATOM 495 CB THR A 30 2.469 -3.729 -7.813 1.00 0.11 C ATOM 496 OG1 THR A 30 3.104 -3.731 -9.092 1.00 0.13 O ATOM 497 CG2 THR A 30 3.327 -3.009 -6.795 1.00 0.10 C ATOM 0 H THR A 30 3.447 -6.205 -8.698 1.00 0.13 H new ATOM 0 HA THR A 30 2.087 -5.221 -6.292 1.00 0.12 H new ATOM 0 HB THR A 30 1.520 -3.198 -7.884 1.00 0.11 H new ATOM 0 HG1 THR A 30 2.424 -3.661 -9.795 1.00 0.13 H new ATOM 0 HG21 THR A 30 3.505 -1.986 -7.127 1.00 0.10 H new ATOM 0 HG22 THR A 30 2.815 -2.994 -5.833 1.00 0.10 H new ATOM 0 HG23 THR A 30 4.280 -3.527 -6.691 1.00 0.10 H new ATOM 505 N PHE A 31 -0.167 -5.149 -7.477 1.00 0.11 N ATOM 506 CA PHE A 31 -1.469 -5.371 -8.029 1.00 0.13 C ATOM 507 C PHE A 31 -2.270 -4.093 -7.855 1.00 0.11 C ATOM 508 O PHE A 31 -1.781 -3.143 -7.246 1.00 0.10 O ATOM 509 CB PHE A 31 -2.158 -6.549 -7.343 1.00 0.15 C ATOM 510 CG PHE A 31 -2.163 -7.809 -8.158 1.00 0.19 C ATOM 511 CD1 PHE A 31 -1.098 -8.693 -8.095 1.00 0.30 C ATOM 512 CD2 PHE A 31 -3.228 -8.109 -8.991 1.00 0.28 C ATOM 513 CE1 PHE A 31 -1.097 -9.853 -8.845 1.00 0.43 C ATOM 514 CE2 PHE A 31 -3.234 -9.268 -9.743 1.00 0.42 C ATOM 515 CZ PHE A 31 -2.179 -10.145 -9.662 1.00 0.48 C ATOM 0 H PHE A 31 -0.167 -4.579 -6.631 1.00 0.11 H new ATOM 0 HA PHE A 31 -1.392 -5.622 -9.087 1.00 0.13 H new ATOM 0 HB2 PHE A 31 -1.661 -6.745 -6.393 1.00 0.15 H new ATOM 0 HB3 PHE A 31 -3.187 -6.272 -7.114 1.00 0.15 H new ATOM 0 HD1 PHE A 31 -0.259 -8.473 -7.452 1.00 0.30 H new ATOM 0 HD2 PHE A 31 -4.064 -7.428 -9.054 1.00 0.28 H new ATOM 0 HE1 PHE A 31 -0.257 -10.530 -8.795 1.00 0.43 H new ATOM 0 HE2 PHE A 31 -4.068 -9.485 -10.394 1.00 0.42 H new ATOM 0 HZ PHE A 31 -2.192 -11.061 -10.234 1.00 0.48 H new ATOM 525 N GLN A 32 -3.483 -4.050 -8.358 1.00 0.13 N ATOM 526 CA GLN A 32 -4.236 -2.812 -8.333 1.00 0.13 C ATOM 527 C GLN A 32 -5.729 -3.051 -8.171 1.00 0.14 C ATOM 528 O GLN A 32 -6.225 -4.161 -8.357 1.00 0.18 O ATOM 529 CB GLN A 32 -3.951 -2.020 -9.600 1.00 0.15 C ATOM 530 CG GLN A 32 -4.123 -2.841 -10.855 1.00 0.17 C ATOM 531 CD GLN A 32 -3.546 -2.163 -12.077 1.00 0.56 C ATOM 532 OE1 GLN A 32 -4.229 -1.400 -12.756 1.00 1.29 O ATOM 533 NE2 GLN A 32 -2.278 -2.432 -12.360 1.00 0.44 N ATOM 0 H GLN A 32 -3.965 -4.842 -8.783 1.00 0.13 H new ATOM 0 HA GLN A 32 -3.915 -2.238 -7.464 1.00 0.13 H new ATOM 0 HB2 GLN A 32 -4.617 -1.158 -9.641 1.00 0.15 H new ATOM 0 HB3 GLN A 32 -2.932 -1.634 -9.560 1.00 0.15 H new ATOM 0 HG2 GLN A 32 -3.641 -3.809 -10.720 1.00 0.17 H new ATOM 0 HG3 GLN A 32 -5.184 -3.032 -11.017 1.00 0.17 H new ATOM 0 HE21 GLN A 32 -1.748 -3.072 -11.768 1.00 0.44 H new ATOM 0 HE22 GLN A 32 -1.833 -1.999 -13.169 1.00 0.44 H new ATOM 542 N ALA A 33 -6.423 -1.982 -7.827 1.00 0.13 N ATOM 543 CA ALA A 33 -7.852 -2.022 -7.545 1.00 0.15 C ATOM 544 C ALA A 33 -8.455 -0.647 -7.728 1.00 0.20 C ATOM 545 O ALA A 33 -7.829 0.337 -7.385 1.00 0.32 O ATOM 546 CB ALA A 33 -8.086 -2.478 -6.125 1.00 0.16 C ATOM 0 H ALA A 33 -6.011 -1.054 -7.734 1.00 0.13 H new ATOM 0 HA ALA A 33 -8.323 -2.722 -8.235 1.00 0.15 H new ATOM 0 HB1 ALA A 33 -9.157 -2.505 -5.923 1.00 0.16 H new ATOM 0 HB2 ALA A 33 -7.666 -3.475 -5.989 1.00 0.16 H new ATOM 0 HB3 ALA A 33 -7.604 -1.784 -5.436 1.00 0.16 H new ATOM 552 N ALA A 34 -9.666 -0.576 -8.242 1.00 0.29 N ATOM 553 CA ALA A 34 -10.311 0.715 -8.455 1.00 0.32 C ATOM 554 C ALA A 34 -11.420 0.978 -7.437 1.00 0.33 C ATOM 555 O ALA A 34 -12.414 1.625 -7.756 1.00 0.47 O ATOM 556 CB ALA A 34 -10.856 0.793 -9.871 1.00 0.34 C ATOM 0 H ALA A 34 -10.223 -1.384 -8.519 1.00 0.29 H new ATOM 0 HA ALA A 34 -9.558 1.491 -8.314 1.00 0.32 H new ATOM 0 HB1 ALA A 34 -11.336 1.760 -10.023 1.00 0.34 H new ATOM 0 HB2 ALA A 34 -10.038 0.678 -10.582 1.00 0.34 H new ATOM 0 HB3 ALA A 34 -11.585 -0.003 -10.025 1.00 0.34 H new ATOM 562 N ASN A 35 -11.243 0.503 -6.202 1.00 0.40 N ATOM 563 CA ASN A 35 -12.247 0.736 -5.156 1.00 0.46 C ATOM 564 C ASN A 35 -11.685 0.420 -3.771 1.00 0.69 C ATOM 565 O ASN A 35 -11.892 1.158 -2.818 1.00 1.79 O ATOM 566 CB ASN A 35 -13.486 -0.136 -5.417 1.00 0.36 C ATOM 567 CG ASN A 35 -14.702 0.228 -4.578 1.00 0.50 C ATOM 568 OD1 ASN A 35 -15.832 0.134 -5.045 1.00 0.96 O ATOM 569 ND2 ASN A 35 -14.490 0.607 -3.333 1.00 0.31 N ATOM 0 H ASN A 35 -10.430 -0.036 -5.903 1.00 0.40 H new ATOM 0 HA ASN A 35 -12.525 1.790 -5.184 1.00 0.46 H new ATOM 0 HB2 ASN A 35 -13.752 -0.061 -6.471 1.00 0.36 H new ATOM 0 HB3 ASN A 35 -13.228 -1.178 -5.227 1.00 0.36 H new ATOM 0 HD21 ASN A 35 -15.279 0.832 -2.727 1.00 0.31 H new ATOM 0 HD22 ASN A 35 -13.537 0.675 -2.976 1.00 0.31 H new ATOM 576 N GLY A 36 -10.985 -0.687 -3.673 1.00 0.36 N ATOM 577 CA GLY A 36 -10.614 -1.225 -2.382 1.00 0.19 C ATOM 578 C GLY A 36 -11.177 -2.616 -2.252 1.00 0.13 C ATOM 579 O GLY A 36 -10.446 -3.565 -2.016 1.00 0.12 O ATOM 0 H GLY A 36 -10.661 -1.233 -4.471 1.00 0.36 H new ATOM 0 HA2 GLY A 36 -9.529 -1.247 -2.281 1.00 0.19 H new ATOM 0 HA3 GLY A 36 -10.996 -0.588 -1.584 1.00 0.19 H new ATOM 583 N LEU A 37 -12.485 -2.724 -2.486 1.00 0.15 N ATOM 584 CA LEU A 37 -13.200 -4.009 -2.545 1.00 0.16 C ATOM 585 C LEU A 37 -12.537 -4.974 -3.516 1.00 0.17 C ATOM 586 O LEU A 37 -12.740 -6.186 -3.461 1.00 0.22 O ATOM 587 CB LEU A 37 -14.627 -3.757 -3.017 1.00 0.20 C ATOM 588 CG LEU A 37 -15.555 -3.124 -1.986 1.00 0.24 C ATOM 589 CD1 LEU A 37 -16.634 -2.299 -2.670 1.00 0.29 C ATOM 590 CD2 LEU A 37 -16.178 -4.209 -1.120 1.00 0.30 C ATOM 0 H LEU A 37 -13.088 -1.917 -2.642 1.00 0.15 H new ATOM 0 HA LEU A 37 -13.184 -4.452 -1.549 1.00 0.16 H new ATOM 0 HB2 LEU A 37 -14.593 -3.111 -3.895 1.00 0.20 H new ATOM 0 HB3 LEU A 37 -15.059 -4.706 -3.336 1.00 0.20 H new ATOM 0 HG LEU A 37 -14.973 -2.456 -1.351 1.00 0.24 H new ATOM 0 HD11 LEU A 37 -17.286 -1.856 -1.917 1.00 0.29 H new ATOM 0 HD12 LEU A 37 -16.169 -1.508 -3.258 1.00 0.29 H new ATOM 0 HD13 LEU A 37 -17.222 -2.941 -3.326 1.00 0.29 H new ATOM 0 HD21 LEU A 37 -16.840 -3.752 -0.385 1.00 0.30 H new ATOM 0 HD22 LEU A 37 -16.750 -4.892 -1.748 1.00 0.30 H new ATOM 0 HD23 LEU A 37 -15.391 -4.761 -0.606 1.00 0.30 H new ATOM 602 N GLN A 38 -11.739 -4.413 -4.393 1.00 0.14 N ATOM 603 CA GLN A 38 -11.106 -5.164 -5.451 1.00 0.15 C ATOM 604 C GLN A 38 -9.812 -5.749 -4.933 1.00 0.12 C ATOM 605 O GLN A 38 -9.589 -6.956 -4.991 1.00 0.14 O ATOM 606 CB GLN A 38 -10.816 -4.245 -6.632 1.00 0.21 C ATOM 607 CG GLN A 38 -11.759 -3.060 -6.727 1.00 0.22 C ATOM 608 CD GLN A 38 -13.053 -3.386 -7.444 1.00 0.59 C ATOM 609 OE1 GLN A 38 -13.560 -4.502 -7.366 1.00 1.57 O ATOM 610 NE2 GLN A 38 -13.582 -2.412 -8.163 1.00 1.03 N ATOM 0 H GLN A 38 -11.510 -3.419 -4.393 1.00 0.14 H new ATOM 0 HA GLN A 38 -11.768 -5.966 -5.779 1.00 0.15 H new ATOM 0 HB2 GLN A 38 -9.792 -3.878 -6.553 1.00 0.21 H new ATOM 0 HB3 GLN A 38 -10.878 -4.822 -7.554 1.00 0.21 H new ATOM 0 HG2 GLN A 38 -11.987 -2.703 -5.723 1.00 0.22 H new ATOM 0 HG3 GLN A 38 -11.257 -2.245 -7.248 1.00 0.22 H new ATOM 0 HE21 GLN A 38 -13.127 -1.500 -8.199 1.00 1.03 H new ATOM 0 HE22 GLN A 38 -14.446 -2.572 -8.682 1.00 1.03 H new ATOM 619 N ALA A 39 -8.966 -4.866 -4.413 1.00 0.11 N ATOM 620 CA ALA A 39 -7.767 -5.276 -3.710 1.00 0.10 C ATOM 621 C ALA A 39 -8.146 -6.205 -2.567 1.00 0.10 C ATOM 622 O ALA A 39 -7.376 -7.064 -2.167 1.00 0.11 O ATOM 623 CB ALA A 39 -7.008 -4.068 -3.183 1.00 0.11 C ATOM 0 H ALA A 39 -9.095 -3.856 -4.469 1.00 0.11 H new ATOM 0 HA ALA A 39 -7.113 -5.804 -4.404 1.00 0.10 H new ATOM 0 HB1 ALA A 39 -6.112 -4.401 -2.659 1.00 0.11 H new ATOM 0 HB2 ALA A 39 -6.723 -3.425 -4.016 1.00 0.11 H new ATOM 0 HB3 ALA A 39 -7.644 -3.510 -2.495 1.00 0.11 H new ATOM 629 N LEU A 40 -9.353 -6.013 -2.052 1.00 0.11 N ATOM 630 CA LEU A 40 -9.892 -6.853 -1.002 1.00 0.13 C ATOM 631 C LEU A 40 -9.976 -8.290 -1.480 1.00 0.13 C ATOM 632 O LEU A 40 -9.462 -9.212 -0.838 1.00 0.14 O ATOM 633 CB LEU A 40 -11.276 -6.361 -0.606 1.00 0.18 C ATOM 634 CG LEU A 40 -11.627 -6.512 0.879 1.00 0.26 C ATOM 635 CD1 LEU A 40 -13.084 -6.144 1.116 1.00 0.34 C ATOM 636 CD2 LEU A 40 -11.343 -7.916 1.390 1.00 0.40 C ATOM 0 H LEU A 40 -9.983 -5.269 -2.353 1.00 0.11 H new ATOM 0 HA LEU A 40 -9.233 -6.804 -0.135 1.00 0.13 H new ATOM 0 HB2 LEU A 40 -11.360 -5.309 -0.877 1.00 0.18 H new ATOM 0 HB3 LEU A 40 -12.017 -6.902 -1.194 1.00 0.18 H new ATOM 0 HG LEU A 40 -10.990 -5.827 1.439 1.00 0.26 H new ATOM 0 HD11 LEU A 40 -13.320 -6.256 2.174 1.00 0.34 H new ATOM 0 HD12 LEU A 40 -13.252 -5.110 0.814 1.00 0.34 H new ATOM 0 HD13 LEU A 40 -13.725 -6.802 0.530 1.00 0.34 H new ATOM 0 HD21 LEU A 40 -11.606 -7.979 2.446 1.00 0.40 H new ATOM 0 HD22 LEU A 40 -11.936 -8.636 0.825 1.00 0.40 H new ATOM 0 HD23 LEU A 40 -10.284 -8.141 1.266 1.00 0.40 H new ATOM 648 N ASP A 41 -10.626 -8.459 -2.618 1.00 0.14 N ATOM 649 CA ASP A 41 -10.737 -9.757 -3.255 1.00 0.16 C ATOM 650 C ASP A 41 -9.350 -10.328 -3.504 1.00 0.16 C ATOM 651 O ASP A 41 -9.108 -11.516 -3.303 1.00 0.19 O ATOM 652 CB ASP A 41 -11.500 -9.633 -4.578 1.00 0.21 C ATOM 653 CG ASP A 41 -11.574 -10.940 -5.346 1.00 0.87 C ATOM 654 OD1 ASP A 41 -12.369 -11.825 -4.955 1.00 0.93 O ATOM 655 OD2 ASP A 41 -10.818 -11.098 -6.325 1.00 1.72 O ATOM 0 H ASP A 41 -11.089 -7.704 -3.124 1.00 0.14 H new ATOM 0 HA ASP A 41 -11.287 -10.430 -2.597 1.00 0.16 H new ATOM 0 HB2 ASP A 41 -12.511 -9.279 -4.376 1.00 0.21 H new ATOM 0 HB3 ASP A 41 -11.017 -8.879 -5.200 1.00 0.21 H new ATOM 660 N ILE A 42 -8.431 -9.458 -3.901 1.00 0.14 N ATOM 661 CA ILE A 42 -7.067 -9.866 -4.183 1.00 0.15 C ATOM 662 C ILE A 42 -6.307 -10.202 -2.899 1.00 0.14 C ATOM 663 O ILE A 42 -5.410 -11.022 -2.916 1.00 0.17 O ATOM 664 CB ILE A 42 -6.303 -8.798 -4.991 1.00 0.16 C ATOM 665 CG1 ILE A 42 -7.069 -8.458 -6.269 1.00 0.19 C ATOM 666 CG2 ILE A 42 -4.900 -9.294 -5.333 1.00 0.18 C ATOM 667 CD1 ILE A 42 -6.484 -7.284 -7.015 1.00 0.20 C ATOM 0 H ILE A 42 -8.609 -8.463 -4.034 1.00 0.14 H new ATOM 0 HA ILE A 42 -7.130 -10.768 -4.792 1.00 0.15 H new ATOM 0 HB ILE A 42 -6.215 -7.897 -4.384 1.00 0.16 H new ATOM 0 HG12 ILE A 42 -7.077 -9.329 -6.924 1.00 0.19 H new ATOM 0 HG13 ILE A 42 -8.107 -8.240 -6.016 1.00 0.19 H new ATOM 0 HG21 ILE A 42 -4.373 -8.529 -5.903 1.00 0.18 H new ATOM 0 HG22 ILE A 42 -4.353 -9.502 -4.413 1.00 0.18 H new ATOM 0 HG23 ILE A 42 -4.971 -10.205 -5.927 1.00 0.18 H new ATOM 0 HD11 ILE A 42 -7.073 -7.093 -7.912 1.00 0.20 H new ATOM 0 HD12 ILE A 42 -6.501 -6.401 -6.375 1.00 0.20 H new ATOM 0 HD13 ILE A 42 -5.455 -7.508 -7.297 1.00 0.20 H new ATOM 679 N VAL A 43 -6.656 -9.589 -1.777 1.00 0.11 N ATOM 680 CA VAL A 43 -6.060 -9.998 -0.512 1.00 0.11 C ATOM 681 C VAL A 43 -6.595 -11.363 -0.117 1.00 0.13 C ATOM 682 O VAL A 43 -5.845 -12.240 0.290 1.00 0.15 O ATOM 683 CB VAL A 43 -6.308 -9.009 0.645 1.00 0.09 C ATOM 684 CG1 VAL A 43 -5.862 -9.632 1.957 1.00 0.17 C ATOM 685 CG2 VAL A 43 -5.571 -7.705 0.417 1.00 0.14 C ATOM 0 H VAL A 43 -7.331 -8.826 -1.714 1.00 0.11 H new ATOM 0 HA VAL A 43 -4.983 -10.025 -0.678 1.00 0.11 H new ATOM 0 HB VAL A 43 -7.375 -8.793 0.687 1.00 0.09 H new ATOM 0 HG11 VAL A 43 -6.039 -8.930 2.772 1.00 0.17 H new ATOM 0 HG12 VAL A 43 -6.428 -10.546 2.136 1.00 0.17 H new ATOM 0 HG13 VAL A 43 -4.799 -9.867 1.905 1.00 0.17 H new ATOM 0 HG21 VAL A 43 -5.765 -7.027 1.249 1.00 0.14 H new ATOM 0 HG22 VAL A 43 -4.501 -7.899 0.349 1.00 0.14 H new ATOM 0 HG23 VAL A 43 -5.917 -7.249 -0.511 1.00 0.14 H new ATOM 695 N THR A 44 -7.894 -11.539 -0.266 1.00 0.14 N ATOM 696 CA THR A 44 -8.530 -12.809 0.037 1.00 0.19 C ATOM 697 C THR A 44 -7.970 -13.929 -0.851 1.00 0.22 C ATOM 698 O THR A 44 -7.831 -15.077 -0.423 1.00 0.28 O ATOM 699 CB THR A 44 -10.056 -12.696 -0.161 1.00 0.30 C ATOM 700 OG1 THR A 44 -10.610 -11.769 0.783 1.00 0.97 O ATOM 701 CG2 THR A 44 -10.735 -14.045 -0.014 1.00 0.83 C ATOM 0 H THR A 44 -8.533 -10.816 -0.596 1.00 0.14 H new ATOM 0 HA THR A 44 -8.318 -13.057 1.077 1.00 0.19 H new ATOM 0 HB THR A 44 -10.234 -12.334 -1.174 1.00 0.30 H new ATOM 0 HG1 THR A 44 -10.405 -10.853 0.501 1.00 0.97 H new ATOM 0 HG21 THR A 44 -11.809 -13.929 -0.159 1.00 0.83 H new ATOM 0 HG22 THR A 44 -10.340 -14.734 -0.760 1.00 0.83 H new ATOM 0 HG23 THR A 44 -10.544 -14.441 0.983 1.00 0.83 H new ATOM 709 N LYS A 45 -7.629 -13.572 -2.079 1.00 0.22 N ATOM 710 CA LYS A 45 -7.195 -14.540 -3.074 1.00 0.27 C ATOM 711 C LYS A 45 -5.662 -14.679 -3.132 1.00 0.27 C ATOM 712 O LYS A 45 -5.149 -15.761 -3.414 1.00 0.30 O ATOM 713 CB LYS A 45 -7.776 -14.133 -4.429 1.00 0.28 C ATOM 714 CG LYS A 45 -6.825 -13.372 -5.321 1.00 0.32 C ATOM 715 CD LYS A 45 -7.571 -12.626 -6.420 1.00 0.33 C ATOM 716 CE LYS A 45 -8.463 -13.552 -7.233 1.00 1.22 C ATOM 717 NZ LYS A 45 -9.431 -12.794 -8.069 1.00 1.64 N ATOM 0 H LYS A 45 -7.645 -12.608 -2.413 1.00 0.22 H new ATOM 0 HA LYS A 45 -7.566 -15.526 -2.793 1.00 0.27 H new ATOM 0 HB2 LYS A 45 -8.104 -15.031 -4.953 1.00 0.28 H new ATOM 0 HB3 LYS A 45 -8.662 -13.521 -4.260 1.00 0.28 H new ATOM 0 HG2 LYS A 45 -6.251 -12.664 -4.723 1.00 0.32 H new ATOM 0 HG3 LYS A 45 -6.111 -14.064 -5.768 1.00 0.32 H new ATOM 0 HD2 LYS A 45 -8.177 -11.837 -5.975 1.00 0.33 H new ATOM 0 HD3 LYS A 45 -6.853 -12.142 -7.081 1.00 0.33 H new ATOM 0 HE2 LYS A 45 -7.845 -14.182 -7.873 1.00 1.22 H new ATOM 0 HE3 LYS A 45 -9.006 -14.216 -6.561 1.00 1.22 H new ATOM 0 HZ1 LYS A 45 -9.974 -13.457 -8.658 1.00 1.64 H new ATOM 0 HZ2 LYS A 45 -10.081 -12.265 -7.454 1.00 1.64 H new ATOM 0 HZ3 LYS A 45 -8.915 -12.130 -8.681 1.00 1.64 H new ATOM 731 N GLU A 46 -4.938 -13.599 -2.851 1.00 0.27 N ATOM 732 CA GLU A 46 -3.476 -13.602 -2.954 1.00 0.30 C ATOM 733 C GLU A 46 -2.797 -13.569 -1.589 1.00 0.29 C ATOM 734 O GLU A 46 -1.768 -14.209 -1.398 1.00 0.34 O ATOM 735 CB GLU A 46 -2.989 -12.388 -3.752 1.00 0.29 C ATOM 736 CG GLU A 46 -3.337 -12.422 -5.228 1.00 0.36 C ATOM 737 CD GLU A 46 -2.623 -13.535 -5.965 1.00 0.75 C ATOM 738 OE1 GLU A 46 -1.403 -13.419 -6.203 1.00 0.59 O ATOM 739 OE2 GLU A 46 -3.288 -14.534 -6.311 1.00 1.76 O ATOM 0 H GLU A 46 -5.337 -12.710 -2.550 1.00 0.27 H new ATOM 0 HA GLU A 46 -3.209 -14.530 -3.460 1.00 0.30 H new ATOM 0 HB2 GLU A 46 -3.415 -11.486 -3.312 1.00 0.29 H new ATOM 0 HB3 GLU A 46 -1.907 -12.312 -3.649 1.00 0.29 H new ATOM 0 HG2 GLU A 46 -4.414 -12.547 -5.342 1.00 0.36 H new ATOM 0 HG3 GLU A 46 -3.078 -11.465 -5.682 1.00 0.36 H new ATOM 746 N ARG A 47 -3.388 -12.835 -0.644 1.00 0.27 N ATOM 747 CA ARG A 47 -2.719 -12.513 0.620 1.00 0.27 C ATOM 748 C ARG A 47 -1.355 -11.872 0.357 1.00 0.27 C ATOM 749 O ARG A 47 -0.316 -12.504 0.548 1.00 0.35 O ATOM 750 CB ARG A 47 -2.530 -13.749 1.510 1.00 0.32 C ATOM 751 CG ARG A 47 -3.441 -13.798 2.725 1.00 0.58 C ATOM 752 CD ARG A 47 -4.854 -14.205 2.353 1.00 1.26 C ATOM 753 NE ARG A 47 -5.732 -14.276 3.523 1.00 2.00 N ATOM 754 CZ ARG A 47 -6.761 -15.119 3.632 1.00 2.89 C ATOM 755 NH1 ARG A 47 -6.996 -16.012 2.677 1.00 3.35 N ATOM 756 NH2 ARG A 47 -7.539 -15.087 4.712 1.00 3.75 N ATOM 0 H ARG A 47 -4.329 -12.452 -0.729 1.00 0.27 H new ATOM 0 HA ARG A 47 -3.366 -11.811 1.146 1.00 0.27 H new ATOM 0 HB2 ARG A 47 -2.699 -14.643 0.909 1.00 0.32 H new ATOM 0 HB3 ARG A 47 -1.494 -13.783 1.847 1.00 0.32 H new ATOM 0 HG2 ARG A 47 -3.039 -14.503 3.452 1.00 0.58 H new ATOM 0 HG3 ARG A 47 -3.459 -12.820 3.206 1.00 0.58 H new ATOM 0 HD2 ARG A 47 -5.261 -13.490 1.638 1.00 1.26 H new ATOM 0 HD3 ARG A 47 -4.833 -15.175 1.857 1.00 1.26 H new ATOM 0 HE ARG A 47 -5.546 -13.643 4.301 1.00 2.00 H new ATOM 0 HH11 ARG A 47 -6.389 -16.055 1.858 1.00 3.35 H new ATOM 0 HH12 ARG A 47 -7.783 -16.655 2.763 1.00 3.35 H new ATOM 0 HH21 ARG A 47 -7.349 -14.417 5.458 1.00 3.75 H new ATOM 0 HH22 ARG A 47 -8.325 -15.732 4.794 1.00 3.75 H new ATOM 770 N PRO A 48 -1.339 -10.623 -0.140 1.00 0.23 N ATOM 771 CA PRO A 48 -0.099 -9.871 -0.315 1.00 0.22 C ATOM 772 C PRO A 48 0.594 -9.600 1.025 1.00 0.26 C ATOM 773 O PRO A 48 0.073 -9.959 2.080 1.00 0.44 O ATOM 774 CB PRO A 48 -0.525 -8.560 -0.975 1.00 0.18 C ATOM 775 CG PRO A 48 -2.008 -8.511 -0.924 1.00 0.19 C ATOM 776 CD PRO A 48 -2.519 -9.881 -0.589 1.00 0.34 C ATOM 0 HA PRO A 48 0.622 -10.426 -0.915 1.00 0.22 H new ATOM 0 HB2 PRO A 48 -0.093 -7.707 -0.452 1.00 0.18 H new ATOM 0 HB3 PRO A 48 -0.173 -8.515 -2.006 1.00 0.18 H new ATOM 0 HG2 PRO A 48 -2.338 -7.790 -0.175 1.00 0.19 H new ATOM 0 HG3 PRO A 48 -2.409 -8.181 -1.882 1.00 0.19 H new ATOM 0 HD2 PRO A 48 -3.280 -9.839 0.190 1.00 0.34 H new ATOM 0 HD3 PRO A 48 -2.977 -10.355 -1.457 1.00 0.34 H new ATOM 784 N ASP A 49 1.758 -8.960 0.997 1.00 0.25 N ATOM 785 CA ASP A 49 2.458 -8.654 2.241 1.00 0.30 C ATOM 786 C ASP A 49 2.581 -7.150 2.400 1.00 0.27 C ATOM 787 O ASP A 49 3.262 -6.659 3.294 1.00 0.47 O ATOM 788 CB ASP A 49 3.836 -9.322 2.295 1.00 0.41 C ATOM 789 CG ASP A 49 4.210 -9.749 3.708 1.00 0.80 C ATOM 790 OD1 ASP A 49 4.483 -8.879 4.562 1.00 1.10 O ATOM 791 OD2 ASP A 49 4.229 -10.974 3.968 1.00 1.43 O ATOM 0 H ASP A 49 2.229 -8.649 0.148 1.00 0.25 H new ATOM 0 HA ASP A 49 1.875 -9.056 3.070 1.00 0.30 H new ATOM 0 HB2 ASP A 49 3.842 -10.193 1.640 1.00 0.41 H new ATOM 0 HB3 ASP A 49 4.588 -8.631 1.914 1.00 0.41 H new ATOM 796 N LEU A 50 1.949 -6.426 1.490 1.00 0.17 N ATOM 797 CA LEU A 50 1.736 -4.999 1.664 1.00 0.17 C ATOM 798 C LEU A 50 0.591 -4.533 0.766 1.00 0.14 C ATOM 799 O LEU A 50 0.464 -4.968 -0.376 1.00 0.15 O ATOM 800 CB LEU A 50 3.026 -4.204 1.406 1.00 0.24 C ATOM 801 CG LEU A 50 2.946 -2.716 1.751 1.00 0.19 C ATOM 802 CD1 LEU A 50 4.121 -2.313 2.625 1.00 0.38 C ATOM 803 CD2 LEU A 50 2.919 -1.890 0.485 1.00 0.45 C ATOM 0 H LEU A 50 1.574 -6.805 0.621 1.00 0.17 H new ATOM 0 HA LEU A 50 1.456 -4.810 2.700 1.00 0.17 H new ATOM 0 HB2 LEU A 50 3.834 -4.653 1.984 1.00 0.24 H new ATOM 0 HB3 LEU A 50 3.293 -4.304 0.354 1.00 0.24 H new ATOM 0 HG LEU A 50 2.026 -2.533 2.306 1.00 0.19 H new ATOM 0 HD11 LEU A 50 4.051 -1.251 2.862 1.00 0.38 H new ATOM 0 HD12 LEU A 50 4.104 -2.893 3.548 1.00 0.38 H new ATOM 0 HD13 LEU A 50 5.053 -2.505 2.093 1.00 0.38 H new ATOM 0 HD21 LEU A 50 2.862 -0.832 0.742 1.00 0.45 H new ATOM 0 HD22 LEU A 50 3.826 -2.075 -0.090 1.00 0.45 H new ATOM 0 HD23 LEU A 50 2.049 -2.166 -0.111 1.00 0.45 H new ATOM 815 N VAL A 51 -0.266 -3.679 1.302 1.00 0.14 N ATOM 816 CA VAL A 51 -1.442 -3.187 0.586 1.00 0.14 C ATOM 817 C VAL A 51 -1.526 -1.673 0.727 1.00 0.17 C ATOM 818 O VAL A 51 -1.178 -1.143 1.767 1.00 0.39 O ATOM 819 CB VAL A 51 -2.739 -3.814 1.161 1.00 0.14 C ATOM 820 CG1 VAL A 51 -3.985 -3.227 0.509 1.00 0.97 C ATOM 821 CG2 VAL A 51 -2.725 -5.322 0.993 1.00 0.94 C ATOM 0 H VAL A 51 -0.170 -3.305 2.246 1.00 0.14 H new ATOM 0 HA VAL A 51 -1.346 -3.466 -0.463 1.00 0.14 H new ATOM 0 HB VAL A 51 -2.771 -3.575 2.224 1.00 0.14 H new ATOM 0 HG11 VAL A 51 -4.873 -3.691 0.938 1.00 0.97 H new ATOM 0 HG12 VAL A 51 -4.016 -2.152 0.686 1.00 0.97 H new ATOM 0 HG13 VAL A 51 -3.958 -3.418 -0.564 1.00 0.97 H new ATOM 0 HG21 VAL A 51 -3.643 -5.742 1.403 1.00 0.94 H new ATOM 0 HG22 VAL A 51 -2.654 -5.569 -0.066 1.00 0.94 H new ATOM 0 HG23 VAL A 51 -1.868 -5.739 1.522 1.00 0.94 H new ATOM 831 N LEU A 52 -1.955 -0.977 -0.314 1.00 0.14 N ATOM 832 CA LEU A 52 -2.202 0.453 -0.215 1.00 0.13 C ATOM 833 C LEU A 52 -3.611 0.797 -0.665 1.00 0.14 C ATOM 834 O LEU A 52 -4.072 0.353 -1.718 1.00 0.18 O ATOM 835 CB LEU A 52 -1.189 1.272 -1.019 1.00 0.15 C ATOM 836 CG LEU A 52 -0.020 1.827 -0.203 1.00 0.17 C ATOM 837 CD1 LEU A 52 1.004 0.745 0.068 1.00 0.20 C ATOM 838 CD2 LEU A 52 0.617 3.006 -0.921 1.00 0.25 C ATOM 0 H LEU A 52 -2.139 -1.377 -1.234 1.00 0.14 H new ATOM 0 HA LEU A 52 -2.088 0.715 0.837 1.00 0.13 H new ATOM 0 HB2 LEU A 52 -0.791 0.647 -1.819 1.00 0.15 H new ATOM 0 HB3 LEU A 52 -1.710 2.104 -1.493 1.00 0.15 H new ATOM 0 HG LEU A 52 -0.404 2.177 0.755 1.00 0.17 H new ATOM 0 HD11 LEU A 52 1.827 1.160 0.649 1.00 0.20 H new ATOM 0 HD12 LEU A 52 0.537 -0.066 0.628 1.00 0.20 H new ATOM 0 HD13 LEU A 52 1.386 0.360 -0.878 1.00 0.20 H new ATOM 0 HD21 LEU A 52 1.447 3.389 -0.327 1.00 0.25 H new ATOM 0 HD22 LEU A 52 0.986 2.683 -1.894 1.00 0.25 H new ATOM 0 HD23 LEU A 52 -0.125 3.793 -1.057 1.00 0.25 H new ATOM 850 N LEU A 53 -4.283 1.593 0.150 1.00 0.16 N ATOM 851 CA LEU A 53 -5.643 2.023 -0.127 1.00 0.17 C ATOM 852 C LEU A 53 -5.683 3.537 -0.232 1.00 0.19 C ATOM 853 O LEU A 53 -5.477 4.234 0.760 1.00 0.36 O ATOM 854 CB LEU A 53 -6.581 1.592 1.005 1.00 0.21 C ATOM 855 CG LEU A 53 -6.541 0.114 1.385 1.00 0.25 C ATOM 856 CD1 LEU A 53 -7.397 -0.123 2.607 1.00 0.42 C ATOM 857 CD2 LEU A 53 -7.016 -0.758 0.239 1.00 0.53 C ATOM 0 H LEU A 53 -3.901 1.959 1.022 1.00 0.16 H new ATOM 0 HA LEU A 53 -5.966 1.566 -1.062 1.00 0.17 H new ATOM 0 HB2 LEU A 53 -6.342 2.180 1.891 1.00 0.21 H new ATOM 0 HB3 LEU A 53 -7.602 1.845 0.720 1.00 0.21 H new ATOM 0 HG LEU A 53 -5.509 -0.155 1.608 1.00 0.25 H new ATOM 0 HD11 LEU A 53 -7.365 -1.179 2.874 1.00 0.42 H new ATOM 0 HD12 LEU A 53 -7.019 0.473 3.437 1.00 0.42 H new ATOM 0 HD13 LEU A 53 -8.426 0.166 2.392 1.00 0.42 H new ATOM 0 HD21 LEU A 53 -6.977 -1.805 0.538 1.00 0.53 H new ATOM 0 HD22 LEU A 53 -8.041 -0.493 -0.019 1.00 0.53 H new ATOM 0 HD23 LEU A 53 -6.372 -0.604 -0.627 1.00 0.53 H new ATOM 869 N ASP A 54 -5.918 4.057 -1.415 1.00 0.23 N ATOM 870 CA ASP A 54 -6.058 5.494 -1.566 1.00 0.23 C ATOM 871 C ASP A 54 -7.475 5.901 -1.218 1.00 0.24 C ATOM 872 O ASP A 54 -8.375 5.709 -2.008 1.00 0.29 O ATOM 873 CB ASP A 54 -5.739 5.922 -3.001 1.00 0.29 C ATOM 874 CG ASP A 54 -5.689 7.425 -3.166 1.00 0.31 C ATOM 875 OD1 ASP A 54 -5.208 8.108 -2.242 1.00 0.33 O ATOM 876 OD2 ASP A 54 -6.137 7.929 -4.220 1.00 0.35 O ATOM 0 H ASP A 54 -6.016 3.520 -2.277 1.00 0.23 H new ATOM 0 HA ASP A 54 -5.355 5.986 -0.894 1.00 0.23 H new ATOM 0 HB2 ASP A 54 -4.781 5.496 -3.298 1.00 0.29 H new ATOM 0 HB3 ASP A 54 -6.492 5.512 -3.674 1.00 0.29 H new ATOM 881 N MET A 55 -7.687 6.477 -0.046 1.00 0.22 N ATOM 882 CA MET A 55 -9.030 6.919 0.320 1.00 0.25 C ATOM 883 C MET A 55 -9.314 8.251 -0.366 1.00 0.26 C ATOM 884 O MET A 55 -10.365 8.869 -0.186 1.00 0.29 O ATOM 885 CB MET A 55 -9.197 6.997 1.847 1.00 0.26 C ATOM 886 CG MET A 55 -8.274 7.990 2.557 1.00 0.25 C ATOM 887 SD MET A 55 -8.755 9.718 2.351 1.00 0.68 S ATOM 888 CE MET A 55 -10.431 9.678 2.984 1.00 0.38 C ATOM 0 H MET A 55 -6.968 6.648 0.656 1.00 0.22 H new ATOM 0 HA MET A 55 -9.763 6.189 -0.023 1.00 0.25 H new ATOM 0 HB2 MET A 55 -10.230 7.264 2.070 1.00 0.26 H new ATOM 0 HB3 MET A 55 -9.027 6.005 2.266 1.00 0.26 H new ATOM 0 HG2 MET A 55 -8.253 7.754 3.621 1.00 0.25 H new ATOM 0 HG3 MET A 55 -7.259 7.859 2.182 1.00 0.25 H new ATOM 0 HE1 MET A 55 -10.810 10.696 3.074 1.00 0.38 H new ATOM 0 HE2 MET A 55 -11.065 9.113 2.300 1.00 0.38 H new ATOM 0 HE3 MET A 55 -10.439 9.200 3.964 1.00 0.38 H new ATOM 898 N LYS A 56 -8.348 8.652 -1.177 1.00 0.26 N ATOM 899 CA LYS A 56 -8.434 9.829 -2.014 1.00 0.31 C ATOM 900 C LYS A 56 -8.900 9.408 -3.404 1.00 0.35 C ATOM 901 O LYS A 56 -9.154 10.235 -4.285 1.00 0.41 O ATOM 902 CB LYS A 56 -7.061 10.489 -2.049 1.00 0.35 C ATOM 903 CG LYS A 56 -6.928 11.647 -3.014 1.00 0.45 C ATOM 904 CD LYS A 56 -8.064 12.653 -2.906 1.00 0.49 C ATOM 905 CE LYS A 56 -8.370 13.026 -1.470 1.00 0.38 C ATOM 906 NZ LYS A 56 -9.087 14.320 -1.386 1.00 0.44 N ATOM 0 H LYS A 56 -7.463 8.153 -1.271 1.00 0.26 H new ATOM 0 HA LYS A 56 -9.153 10.549 -1.624 1.00 0.31 H new ATOM 0 HB2 LYS A 56 -6.820 10.843 -1.047 1.00 0.35 H new ATOM 0 HB3 LYS A 56 -6.319 9.734 -2.308 1.00 0.35 H new ATOM 0 HG2 LYS A 56 -5.982 12.157 -2.831 1.00 0.45 H new ATOM 0 HG3 LYS A 56 -6.890 11.260 -4.032 1.00 0.45 H new ATOM 0 HD2 LYS A 56 -7.804 13.552 -3.465 1.00 0.49 H new ATOM 0 HD3 LYS A 56 -8.959 12.238 -3.369 1.00 0.49 H new ATOM 0 HE2 LYS A 56 -8.974 12.244 -1.011 1.00 0.38 H new ATOM 0 HE3 LYS A 56 -7.441 13.086 -0.903 1.00 0.38 H new ATOM 0 HZ1 LYS A 56 -9.311 14.529 -0.392 1.00 0.44 H new ATOM 0 HZ2 LYS A 56 -8.486 15.076 -1.772 1.00 0.44 H new ATOM 0 HZ3 LYS A 56 -9.968 14.265 -1.935 1.00 0.44 H new ATOM 920 N ILE A 57 -9.027 8.098 -3.571 1.00 0.36 N ATOM 921 CA ILE A 57 -9.477 7.505 -4.812 1.00 0.43 C ATOM 922 C ILE A 57 -10.789 8.139 -5.281 1.00 0.38 C ATOM 923 O ILE A 57 -11.677 8.430 -4.477 1.00 0.45 O ATOM 924 CB ILE A 57 -9.665 5.980 -4.641 1.00 0.57 C ATOM 925 CG1 ILE A 57 -9.950 5.308 -5.978 1.00 0.93 C ATOM 926 CG2 ILE A 57 -10.791 5.688 -3.661 1.00 0.71 C ATOM 927 CD1 ILE A 57 -10.124 3.807 -5.880 1.00 1.79 C ATOM 0 H ILE A 57 -8.818 7.417 -2.841 1.00 0.36 H new ATOM 0 HA ILE A 57 -8.714 7.691 -5.568 1.00 0.43 H new ATOM 0 HB ILE A 57 -8.735 5.572 -4.244 1.00 0.57 H new ATOM 0 HG12 ILE A 57 -10.853 5.742 -6.408 1.00 0.93 H new ATOM 0 HG13 ILE A 57 -9.133 5.526 -6.666 1.00 0.93 H new ATOM 0 HG21 ILE A 57 -10.909 4.610 -3.553 1.00 0.71 H new ATOM 0 HG22 ILE A 57 -10.552 6.126 -2.692 1.00 0.71 H new ATOM 0 HG23 ILE A 57 -11.720 6.119 -4.035 1.00 0.71 H new ATOM 0 HD11 ILE A 57 -10.324 3.398 -6.871 1.00 1.79 H new ATOM 0 HD12 ILE A 57 -9.214 3.360 -5.480 1.00 1.79 H new ATOM 0 HD13 ILE A 57 -10.960 3.580 -5.218 1.00 1.79 H new ATOM 939 N PRO A 58 -10.896 8.406 -6.587 1.00 0.34 N ATOM 940 CA PRO A 58 -12.129 8.907 -7.218 1.00 0.31 C ATOM 941 C PRO A 58 -13.372 8.055 -6.922 1.00 0.41 C ATOM 942 O PRO A 58 -14.495 8.461 -7.225 1.00 1.18 O ATOM 943 CB PRO A 58 -11.792 8.851 -8.700 1.00 0.46 C ATOM 944 CG PRO A 58 -10.317 9.019 -8.750 1.00 0.70 C ATOM 945 CD PRO A 58 -9.795 8.290 -7.561 1.00 0.41 C ATOM 0 HA PRO A 58 -12.394 9.896 -6.843 1.00 0.31 H new ATOM 0 HB2 PRO A 58 -12.099 7.903 -9.142 1.00 0.46 H new ATOM 0 HB3 PRO A 58 -12.301 9.640 -9.253 1.00 0.46 H new ATOM 0 HG2 PRO A 58 -9.906 8.610 -9.673 1.00 0.70 H new ATOM 0 HG3 PRO A 58 -10.040 10.073 -8.717 1.00 0.70 H new ATOM 0 HD2 PRO A 58 -9.570 7.249 -7.793 1.00 0.41 H new ATOM 0 HD3 PRO A 58 -8.875 8.738 -7.185 1.00 0.41 H new ATOM 953 N GLY A 59 -13.169 6.876 -6.347 1.00 0.86 N ATOM 954 CA GLY A 59 -14.284 6.045 -5.940 1.00 0.93 C ATOM 955 C GLY A 59 -14.620 6.243 -4.474 1.00 0.80 C ATOM 956 O GLY A 59 -14.849 7.369 -4.032 1.00 1.71 O ATOM 0 H GLY A 59 -12.249 6.480 -6.155 1.00 0.86 H new ATOM 0 HA2 GLY A 59 -15.156 6.281 -6.549 1.00 0.93 H new ATOM 0 HA3 GLY A 59 -14.043 4.997 -6.121 1.00 0.93 H new ATOM 960 N MET A 60 -14.656 5.155 -3.724 1.00 0.77 N ATOM 961 CA MET A 60 -14.884 5.220 -2.289 1.00 0.49 C ATOM 962 C MET A 60 -13.667 4.691 -1.554 1.00 0.60 C ATOM 963 O MET A 60 -12.821 4.031 -2.157 1.00 1.30 O ATOM 964 CB MET A 60 -16.117 4.407 -1.885 1.00 0.65 C ATOM 965 CG MET A 60 -17.426 4.945 -2.434 1.00 0.83 C ATOM 966 SD MET A 60 -17.649 4.617 -4.196 1.00 1.92 S ATOM 967 CE MET A 60 -19.236 5.399 -4.479 1.00 2.52 C ATOM 0 H MET A 60 -14.530 4.210 -4.087 1.00 0.77 H new ATOM 0 HA MET A 60 -15.057 6.262 -2.020 1.00 0.49 H new ATOM 0 HB2 MET A 60 -15.988 3.380 -2.226 1.00 0.65 H new ATOM 0 HB3 MET A 60 -16.178 4.377 -0.797 1.00 0.65 H new ATOM 0 HG2 MET A 60 -18.254 4.501 -1.881 1.00 0.83 H new ATOM 0 HG3 MET A 60 -17.469 6.021 -2.263 1.00 0.83 H new ATOM 0 HE1 MET A 60 -19.517 5.284 -5.526 1.00 2.52 H new ATOM 0 HE2 MET A 60 -19.990 4.930 -3.847 1.00 2.52 H new ATOM 0 HE3 MET A 60 -19.168 6.459 -4.236 1.00 2.52 H new ATOM 977 N ASP A 61 -13.579 4.964 -0.258 1.00 0.36 N ATOM 978 CA ASP A 61 -12.439 4.507 0.526 1.00 0.35 C ATOM 979 C ASP A 61 -12.428 3.001 0.621 1.00 0.47 C ATOM 980 O ASP A 61 -13.459 2.336 0.505 1.00 1.11 O ATOM 981 CB ASP A 61 -12.431 5.076 1.954 1.00 0.42 C ATOM 982 CG ASP A 61 -13.672 4.701 2.736 1.00 0.68 C ATOM 983 OD1 ASP A 61 -13.709 3.586 3.300 1.00 1.07 O ATOM 984 OD2 ASP A 61 -14.612 5.520 2.794 1.00 0.99 O ATOM 0 H ASP A 61 -14.275 5.493 0.267 1.00 0.36 H new ATOM 0 HA ASP A 61 -11.553 4.869 0.004 1.00 0.35 H new ATOM 0 HB2 ASP A 61 -11.549 4.712 2.482 1.00 0.42 H new ATOM 0 HB3 ASP A 61 -12.349 6.162 1.908 1.00 0.42 H new ATOM 989 N GLY A 62 -11.247 2.473 0.833 1.00 0.36 N ATOM 990 CA GLY A 62 -11.114 1.077 1.112 1.00 0.32 C ATOM 991 C GLY A 62 -10.959 0.845 2.602 1.00 0.29 C ATOM 992 O GLY A 62 -10.311 -0.106 3.018 1.00 0.31 O ATOM 0 H GLY A 62 -10.370 2.993 0.816 1.00 0.36 H new ATOM 0 HA2 GLY A 62 -11.989 0.542 0.744 1.00 0.32 H new ATOM 0 HA3 GLY A 62 -10.249 0.675 0.584 1.00 0.32 H new ATOM 996 N ILE A 63 -11.557 1.709 3.421 1.00 0.28 N ATOM 997 CA ILE A 63 -11.346 1.630 4.862 1.00 0.29 C ATOM 998 C ILE A 63 -12.053 0.401 5.422 1.00 0.29 C ATOM 999 O ILE A 63 -11.437 -0.441 6.075 1.00 0.31 O ATOM 1000 CB ILE A 63 -11.841 2.873 5.637 1.00 0.30 C ATOM 1001 CG1 ILE A 63 -11.083 4.164 5.250 1.00 0.34 C ATOM 1002 CG2 ILE A 63 -11.713 2.612 7.134 1.00 0.41 C ATOM 1003 CD1 ILE A 63 -9.971 3.991 4.241 1.00 0.52 C ATOM 0 H ILE A 63 -12.180 2.458 3.117 1.00 0.28 H new ATOM 0 HA ILE A 63 -10.267 1.570 5.001 1.00 0.29 H new ATOM 0 HB ILE A 63 -12.885 3.037 5.368 1.00 0.30 H new ATOM 0 HG12 ILE A 63 -11.802 4.881 4.852 1.00 0.34 H new ATOM 0 HG13 ILE A 63 -10.663 4.603 6.155 1.00 0.34 H new ATOM 0 HG21 ILE A 63 -12.060 3.485 7.687 1.00 0.41 H new ATOM 0 HG22 ILE A 63 -12.317 1.746 7.405 1.00 0.41 H new ATOM 0 HG23 ILE A 63 -10.669 2.418 7.382 1.00 0.41 H new ATOM 0 HD11 ILE A 63 -9.507 4.957 4.042 1.00 0.52 H new ATOM 0 HD12 ILE A 63 -9.223 3.304 4.638 1.00 0.52 H new ATOM 0 HD13 ILE A 63 -10.380 3.587 3.315 1.00 0.52 H new ATOM 1015 N GLU A 64 -13.358 0.306 5.152 1.00 0.31 N ATOM 1016 CA GLU A 64 -14.138 -0.898 5.458 1.00 0.35 C ATOM 1017 C GLU A 64 -13.527 -2.094 4.752 1.00 0.29 C ATOM 1018 O GLU A 64 -13.746 -3.239 5.127 1.00 0.28 O ATOM 1019 CB GLU A 64 -15.586 -0.716 4.999 1.00 0.46 C ATOM 1020 CG GLU A 64 -16.396 0.198 5.894 1.00 0.73 C ATOM 1021 CD GLU A 64 -16.694 -0.438 7.232 1.00 1.14 C ATOM 1022 OE1 GLU A 64 -17.722 -1.140 7.344 1.00 1.63 O ATOM 1023 OE2 GLU A 64 -15.896 -0.264 8.174 1.00 1.69 O ATOM 0 H GLU A 64 -13.900 1.054 4.719 1.00 0.31 H new ATOM 0 HA GLU A 64 -14.125 -1.066 6.535 1.00 0.35 H new ATOM 0 HB2 GLU A 64 -15.589 -0.314 3.986 1.00 0.46 H new ATOM 0 HB3 GLU A 64 -16.070 -1.692 4.957 1.00 0.46 H new ATOM 0 HG2 GLU A 64 -15.852 1.130 6.049 1.00 0.73 H new ATOM 0 HG3 GLU A 64 -17.332 0.455 5.398 1.00 0.73 H new ATOM 1030 N ILE A 65 -12.743 -1.809 3.732 1.00 0.26 N ATOM 1031 CA ILE A 65 -12.053 -2.836 2.990 1.00 0.24 C ATOM 1032 C ILE A 65 -10.884 -3.384 3.797 1.00 0.24 C ATOM 1033 O ILE A 65 -10.747 -4.590 3.938 1.00 0.24 O ATOM 1034 CB ILE A 65 -11.550 -2.294 1.645 1.00 0.23 C ATOM 1035 CG1 ILE A 65 -12.734 -1.822 0.798 1.00 0.38 C ATOM 1036 CG2 ILE A 65 -10.723 -3.332 0.920 1.00 0.26 C ATOM 1037 CD1 ILE A 65 -13.923 -2.750 0.847 1.00 0.50 C ATOM 0 H ILE A 65 -12.569 -0.861 3.398 1.00 0.26 H new ATOM 0 HA ILE A 65 -12.760 -3.643 2.798 1.00 0.24 H new ATOM 0 HB ILE A 65 -10.901 -1.438 1.828 1.00 0.23 H new ATOM 0 HG12 ILE A 65 -13.042 -0.833 1.139 1.00 0.38 H new ATOM 0 HG13 ILE A 65 -12.409 -1.716 -0.237 1.00 0.38 H new ATOM 0 HG21 ILE A 65 -10.378 -2.924 -0.030 1.00 0.26 H new ATOM 0 HG22 ILE A 65 -9.863 -3.604 1.532 1.00 0.26 H new ATOM 0 HG23 ILE A 65 -11.331 -4.218 0.735 1.00 0.26 H new ATOM 0 HD11 ILE A 65 -14.722 -2.350 0.223 1.00 0.50 H new ATOM 0 HD12 ILE A 65 -13.632 -3.734 0.478 1.00 0.50 H new ATOM 0 HD13 ILE A 65 -14.274 -2.837 1.875 1.00 0.50 H new ATOM 1049 N ALA A 66 -10.052 -2.490 4.336 1.00 0.25 N ATOM 1050 CA ALA A 66 -8.973 -2.885 5.241 1.00 0.26 C ATOM 1051 C ALA A 66 -9.559 -3.462 6.517 1.00 0.24 C ATOM 1052 O ALA A 66 -8.917 -4.213 7.240 1.00 0.26 O ATOM 1053 CB ALA A 66 -8.081 -1.698 5.565 1.00 0.28 C ATOM 0 H ALA A 66 -10.106 -1.487 4.160 1.00 0.25 H new ATOM 0 HA ALA A 66 -8.366 -3.644 4.749 1.00 0.26 H new ATOM 0 HB1 ALA A 66 -7.285 -2.014 6.239 1.00 0.28 H new ATOM 0 HB2 ALA A 66 -7.644 -1.309 4.645 1.00 0.28 H new ATOM 0 HB3 ALA A 66 -8.673 -0.918 6.043 1.00 0.28 H new ATOM 1059 N LYS A 67 -10.787 -3.068 6.777 1.00 0.23 N ATOM 1060 CA LYS A 67 -11.591 -3.609 7.858 1.00 0.23 C ATOM 1061 C LYS A 67 -11.922 -5.078 7.599 1.00 0.24 C ATOM 1062 O LYS A 67 -11.823 -5.924 8.478 1.00 0.29 O ATOM 1063 CB LYS A 67 -12.852 -2.746 7.950 1.00 0.26 C ATOM 1064 CG LYS A 67 -14.106 -3.445 8.423 1.00 0.38 C ATOM 1065 CD LYS A 67 -14.129 -3.589 9.937 1.00 0.41 C ATOM 1066 CE LYS A 67 -14.597 -2.308 10.612 1.00 0.72 C ATOM 1067 NZ LYS A 67 -15.979 -1.933 10.215 1.00 1.05 N ATOM 0 H LYS A 67 -11.266 -2.349 6.234 1.00 0.23 H new ATOM 0 HA LYS A 67 -11.052 -3.581 8.805 1.00 0.23 H new ATOM 0 HB2 LYS A 67 -12.649 -1.913 8.624 1.00 0.26 H new ATOM 0 HB3 LYS A 67 -13.048 -2.320 6.966 1.00 0.26 H new ATOM 0 HG2 LYS A 67 -14.981 -2.883 8.097 1.00 0.38 H new ATOM 0 HG3 LYS A 67 -14.170 -4.431 7.962 1.00 0.38 H new ATOM 0 HD2 LYS A 67 -14.789 -4.410 10.215 1.00 0.41 H new ATOM 0 HD3 LYS A 67 -13.132 -3.846 10.294 1.00 0.41 H new ATOM 0 HE2 LYS A 67 -14.554 -2.433 11.694 1.00 0.72 H new ATOM 0 HE3 LYS A 67 -13.916 -1.496 10.358 1.00 0.72 H new ATOM 0 HZ1 LYS A 67 -16.456 -1.468 11.014 1.00 1.05 H new ATOM 0 HZ2 LYS A 67 -15.943 -1.280 9.406 1.00 1.05 H new ATOM 0 HZ3 LYS A 67 -16.507 -2.788 9.947 1.00 1.05 H new ATOM 1081 N ARG A 68 -12.296 -5.382 6.379 1.00 0.22 N ATOM 1082 CA ARG A 68 -12.588 -6.750 5.993 1.00 0.23 C ATOM 1083 C ARG A 68 -11.293 -7.490 5.712 1.00 0.24 C ATOM 1084 O ARG A 68 -11.224 -8.712 5.784 1.00 0.29 O ATOM 1085 CB ARG A 68 -13.508 -6.731 4.787 1.00 0.25 C ATOM 1086 CG ARG A 68 -14.823 -6.057 5.114 1.00 0.28 C ATOM 1087 CD ARG A 68 -15.465 -5.435 3.888 1.00 0.30 C ATOM 1088 NE ARG A 68 -16.619 -4.616 4.256 1.00 0.84 N ATOM 1089 CZ ARG A 68 -17.607 -4.286 3.431 1.00 0.93 C ATOM 1090 NH1 ARG A 68 -17.624 -4.734 2.182 1.00 0.68 N ATOM 1091 NH2 ARG A 68 -18.598 -3.523 3.869 1.00 1.58 N ATOM 0 H ARG A 68 -12.407 -4.699 5.630 1.00 0.22 H new ATOM 0 HA ARG A 68 -13.095 -7.279 6.800 1.00 0.23 H new ATOM 0 HB2 ARG A 68 -13.022 -6.207 3.964 1.00 0.25 H new ATOM 0 HB3 ARG A 68 -13.693 -7.751 4.451 1.00 0.25 H new ATOM 0 HG2 ARG A 68 -15.506 -6.787 5.550 1.00 0.28 H new ATOM 0 HG3 ARG A 68 -14.658 -5.286 5.867 1.00 0.28 H new ATOM 0 HD2 ARG A 68 -14.733 -4.822 3.362 1.00 0.30 H new ATOM 0 HD3 ARG A 68 -15.777 -6.220 3.199 1.00 0.30 H new ATOM 0 HE ARG A 68 -16.669 -4.273 5.215 1.00 0.84 H new ATOM 0 HH11 ARG A 68 -16.874 -5.338 1.847 1.00 0.68 H new ATOM 0 HH12 ARG A 68 -18.387 -4.474 1.557 1.00 0.68 H new ATOM 0 HH21 ARG A 68 -18.599 -3.193 4.834 1.00 1.58 H new ATOM 0 HH22 ARG A 68 -19.360 -3.266 3.241 1.00 1.58 H new ATOM 1105 N MET A 69 -10.263 -6.722 5.415 1.00 0.23 N ATOM 1106 CA MET A 69 -8.917 -7.243 5.311 1.00 0.26 C ATOM 1107 C MET A 69 -8.370 -7.541 6.707 1.00 0.18 C ATOM 1108 O MET A 69 -7.569 -8.449 6.876 1.00 0.19 O ATOM 1109 CB MET A 69 -8.005 -6.243 4.598 1.00 0.42 C ATOM 1110 CG MET A 69 -8.117 -6.220 3.075 1.00 0.60 C ATOM 1111 SD MET A 69 -7.346 -4.732 2.398 1.00 2.21 S ATOM 1112 CE MET A 69 -7.618 -4.943 0.646 1.00 3.06 C ATOM 0 H MET A 69 -10.337 -5.720 5.239 1.00 0.23 H new ATOM 0 HA MET A 69 -8.944 -8.163 4.728 1.00 0.26 H new ATOM 0 HB2 MET A 69 -8.224 -5.244 4.976 1.00 0.42 H new ATOM 0 HB3 MET A 69 -6.972 -6.465 4.865 1.00 0.42 H new ATOM 0 HG2 MET A 69 -7.638 -7.106 2.657 1.00 0.60 H new ATOM 0 HG3 MET A 69 -9.166 -6.257 2.782 1.00 0.60 H new ATOM 0 HE1 MET A 69 -6.965 -4.268 0.093 1.00 3.06 H new ATOM 0 HE2 MET A 69 -7.398 -5.973 0.365 1.00 3.06 H new ATOM 0 HE3 MET A 69 -8.658 -4.717 0.409 1.00 3.06 H new ATOM 1122 N LYS A 70 -8.805 -6.780 7.716 1.00 0.19 N ATOM 1123 CA LYS A 70 -8.427 -7.091 9.090 1.00 0.20 C ATOM 1124 C LYS A 70 -9.246 -8.282 9.565 1.00 0.19 C ATOM 1125 O LYS A 70 -8.844 -9.023 10.461 1.00 0.23 O ATOM 1126 CB LYS A 70 -8.588 -5.902 10.060 1.00 0.27 C ATOM 1127 CG LYS A 70 -9.984 -5.745 10.616 1.00 0.34 C ATOM 1128 CD LYS A 70 -9.981 -5.202 12.035 1.00 0.40 C ATOM 1129 CE LYS A 70 -9.348 -6.180 13.012 1.00 0.47 C ATOM 1130 NZ LYS A 70 -9.323 -5.643 14.397 1.00 0.75 N ATOM 0 H LYS A 70 -9.406 -5.963 7.608 1.00 0.19 H new ATOM 0 HA LYS A 70 -7.363 -7.328 9.091 1.00 0.20 H new ATOM 0 HB2 LYS A 70 -7.890 -6.025 10.888 1.00 0.27 H new ATOM 0 HB3 LYS A 70 -8.309 -4.984 9.542 1.00 0.27 H new ATOM 0 HG2 LYS A 70 -10.555 -5.075 9.974 1.00 0.34 H new ATOM 0 HG3 LYS A 70 -10.490 -6.710 10.600 1.00 0.34 H new ATOM 0 HD2 LYS A 70 -9.437 -4.258 12.062 1.00 0.40 H new ATOM 0 HD3 LYS A 70 -11.004 -4.989 12.345 1.00 0.40 H new ATOM 0 HE2 LYS A 70 -9.902 -7.118 12.997 1.00 0.47 H new ATOM 0 HE3 LYS A 70 -8.331 -6.406 12.692 1.00 0.47 H new ATOM 0 HZ1 LYS A 70 -8.884 -6.340 15.032 1.00 0.75 H new ATOM 0 HZ2 LYS A 70 -8.772 -4.761 14.417 1.00 0.75 H new ATOM 0 HZ3 LYS A 70 -10.295 -5.452 14.713 1.00 0.75 H new ATOM 1144 N VAL A 71 -10.395 -8.464 8.948 1.00 0.19 N ATOM 1145 CA VAL A 71 -11.179 -9.664 9.158 1.00 0.23 C ATOM 1146 C VAL A 71 -10.556 -10.842 8.394 1.00 0.27 C ATOM 1147 O VAL A 71 -10.670 -11.998 8.802 1.00 0.32 O ATOM 1148 CB VAL A 71 -12.648 -9.432 8.726 1.00 0.25 C ATOM 1149 CG1 VAL A 71 -13.427 -10.738 8.663 1.00 0.32 C ATOM 1150 CG2 VAL A 71 -13.329 -8.466 9.682 1.00 0.25 C ATOM 0 H VAL A 71 -10.807 -7.796 8.297 1.00 0.19 H new ATOM 0 HA VAL A 71 -11.177 -9.908 10.220 1.00 0.23 H new ATOM 0 HB VAL A 71 -12.635 -9.002 7.725 1.00 0.25 H new ATOM 0 HG11 VAL A 71 -14.453 -10.535 8.357 1.00 0.32 H new ATOM 0 HG12 VAL A 71 -12.958 -11.407 7.941 1.00 0.32 H new ATOM 0 HG13 VAL A 71 -13.428 -11.209 9.646 1.00 0.32 H new ATOM 0 HG21 VAL A 71 -14.361 -8.311 9.368 1.00 0.25 H new ATOM 0 HG22 VAL A 71 -13.315 -8.881 10.690 1.00 0.25 H new ATOM 0 HG23 VAL A 71 -12.800 -7.513 9.674 1.00 0.25 H new ATOM 1160 N ILE A 72 -9.861 -10.529 7.308 1.00 0.25 N ATOM 1161 CA ILE A 72 -9.267 -11.549 6.448 1.00 0.30 C ATOM 1162 C ILE A 72 -7.823 -11.899 6.860 1.00 0.29 C ATOM 1163 O ILE A 72 -7.340 -12.995 6.569 1.00 0.40 O ATOM 1164 CB ILE A 72 -9.310 -11.092 4.959 1.00 0.34 C ATOM 1165 CG1 ILE A 72 -9.861 -12.207 4.066 1.00 0.59 C ATOM 1166 CG2 ILE A 72 -7.942 -10.648 4.463 1.00 0.33 C ATOM 1167 CD1 ILE A 72 -11.283 -12.600 4.397 1.00 1.11 C ATOM 0 H ILE A 72 -9.693 -9.572 6.999 1.00 0.25 H new ATOM 0 HA ILE A 72 -9.862 -12.455 6.566 1.00 0.30 H new ATOM 0 HB ILE A 72 -9.978 -10.232 4.904 1.00 0.34 H new ATOM 0 HG12 ILE A 72 -9.815 -11.884 3.026 1.00 0.59 H new ATOM 0 HG13 ILE A 72 -9.220 -13.084 4.157 1.00 0.59 H new ATOM 0 HG21 ILE A 72 -8.016 -10.337 3.421 1.00 0.33 H new ATOM 0 HG22 ILE A 72 -7.590 -9.812 5.067 1.00 0.33 H new ATOM 0 HG23 ILE A 72 -7.239 -11.476 4.546 1.00 0.33 H new ATOM 0 HD11 ILE A 72 -11.607 -13.394 3.725 1.00 1.11 H new ATOM 0 HD12 ILE A 72 -11.332 -12.954 5.427 1.00 1.11 H new ATOM 0 HD13 ILE A 72 -11.936 -11.736 4.279 1.00 1.11 H new ATOM 1179 N ASP A 73 -7.142 -10.964 7.527 1.00 0.21 N ATOM 1180 CA ASP A 73 -5.724 -11.133 7.883 1.00 0.21 C ATOM 1181 C ASP A 73 -5.349 -10.272 9.096 1.00 0.22 C ATOM 1182 O ASP A 73 -4.310 -10.481 9.728 1.00 0.26 O ATOM 1183 CB ASP A 73 -4.846 -10.725 6.694 1.00 0.23 C ATOM 1184 CG ASP A 73 -3.381 -11.067 6.885 1.00 0.30 C ATOM 1185 OD1 ASP A 73 -2.642 -10.239 7.449 1.00 0.29 O ATOM 1186 OD2 ASP A 73 -2.959 -12.165 6.459 1.00 0.48 O ATOM 0 H ASP A 73 -7.547 -10.079 7.833 1.00 0.21 H new ATOM 0 HA ASP A 73 -5.561 -12.181 8.135 1.00 0.21 H new ATOM 0 HB2 ASP A 73 -5.213 -11.219 5.794 1.00 0.23 H new ATOM 0 HB3 ASP A 73 -4.943 -9.652 6.531 1.00 0.23 H new ATOM 1191 N GLU A 74 -6.226 -9.318 9.412 1.00 0.22 N ATOM 1192 CA GLU A 74 -6.006 -8.303 10.451 1.00 0.35 C ATOM 1193 C GLU A 74 -5.069 -7.201 9.967 1.00 0.43 C ATOM 1194 O GLU A 74 -5.502 -6.089 9.696 1.00 0.98 O ATOM 1195 CB GLU A 74 -5.486 -8.897 11.760 1.00 0.44 C ATOM 1196 CG GLU A 74 -5.533 -7.911 12.912 1.00 0.62 C ATOM 1197 CD GLU A 74 -4.608 -8.295 14.038 1.00 0.80 C ATOM 1198 OE1 GLU A 74 -4.863 -9.320 14.699 1.00 1.00 O ATOM 1199 OE2 GLU A 74 -3.607 -7.583 14.249 1.00 0.92 O ATOM 0 H GLU A 74 -7.128 -9.225 8.945 1.00 0.22 H new ATOM 0 HA GLU A 74 -6.985 -7.869 10.656 1.00 0.35 H new ATOM 0 HB2 GLU A 74 -6.078 -9.776 12.015 1.00 0.44 H new ATOM 0 HB3 GLU A 74 -4.459 -9.234 11.618 1.00 0.44 H new ATOM 0 HG2 GLU A 74 -5.265 -6.919 12.548 1.00 0.62 H new ATOM 0 HG3 GLU A 74 -6.553 -7.847 13.290 1.00 0.62 H new ATOM 1206 N ASN A 75 -3.808 -7.531 9.796 1.00 0.18 N ATOM 1207 CA ASN A 75 -2.776 -6.546 9.512 1.00 0.22 C ATOM 1208 C ASN A 75 -2.090 -6.935 8.238 1.00 0.19 C ATOM 1209 O ASN A 75 -0.885 -7.167 8.186 1.00 0.24 O ATOM 1210 CB ASN A 75 -1.768 -6.413 10.662 1.00 0.31 C ATOM 1211 CG ASN A 75 -1.223 -7.745 11.148 1.00 0.35 C ATOM 1212 OD1 ASN A 75 -0.191 -8.225 10.681 1.00 0.41 O ATOM 1213 ND2 ASN A 75 -1.905 -8.338 12.108 1.00 0.37 N ATOM 0 H ASN A 75 -3.464 -8.490 9.849 1.00 0.18 H new ATOM 0 HA ASN A 75 -3.243 -5.567 9.404 1.00 0.22 H new ATOM 0 HB2 ASN A 75 -0.937 -5.787 10.336 1.00 0.31 H new ATOM 0 HB3 ASN A 75 -2.246 -5.899 11.496 1.00 0.31 H new ATOM 0 HD21 ASN A 75 -1.581 -9.227 12.490 1.00 0.37 H new ATOM 0 HD22 ASN A 75 -2.757 -7.908 12.469 1.00 0.37 H new ATOM 1220 N ILE A 76 -2.902 -6.988 7.207 1.00 0.21 N ATOM 1221 CA ILE A 76 -2.460 -7.337 5.871 1.00 0.23 C ATOM 1222 C ILE A 76 -1.645 -6.171 5.266 1.00 0.21 C ATOM 1223 O ILE A 76 -1.583 -5.958 4.057 1.00 0.27 O ATOM 1224 CB ILE A 76 -3.693 -7.755 5.022 1.00 0.30 C ATOM 1225 CG1 ILE A 76 -3.327 -8.805 3.952 1.00 0.49 C ATOM 1226 CG2 ILE A 76 -4.410 -6.554 4.418 1.00 0.35 C ATOM 1227 CD1 ILE A 76 -2.501 -8.301 2.791 1.00 0.83 C ATOM 0 H ILE A 76 -3.900 -6.788 7.271 1.00 0.21 H new ATOM 0 HA ILE A 76 -1.786 -8.194 5.890 1.00 0.23 H new ATOM 0 HB ILE A 76 -4.397 -8.229 5.706 1.00 0.30 H new ATOM 0 HG12 ILE A 76 -2.782 -9.615 4.437 1.00 0.49 H new ATOM 0 HG13 ILE A 76 -4.250 -9.232 3.559 1.00 0.49 H new ATOM 0 HG21 ILE A 76 -5.264 -6.896 3.834 1.00 0.35 H new ATOM 0 HG22 ILE A 76 -4.756 -5.897 5.216 1.00 0.35 H new ATOM 0 HG23 ILE A 76 -3.723 -6.008 3.771 1.00 0.35 H new ATOM 0 HD11 ILE A 76 -2.303 -9.122 2.102 1.00 0.83 H new ATOM 0 HD12 ILE A 76 -3.047 -7.514 2.271 1.00 0.83 H new ATOM 0 HD13 ILE A 76 -1.557 -7.903 3.162 1.00 0.83 H new ATOM 1239 N ARG A 77 -0.999 -5.427 6.163 1.00 0.20 N ATOM 1240 CA ARG A 77 0.025 -4.461 5.811 1.00 0.19 C ATOM 1241 C ARG A 77 -0.538 -3.311 4.994 1.00 0.16 C ATOM 1242 O ARG A 77 0.060 -2.892 4.006 1.00 0.16 O ATOM 1243 CB ARG A 77 1.126 -5.163 5.026 1.00 0.26 C ATOM 1244 CG ARG A 77 1.594 -6.469 5.650 1.00 0.31 C ATOM 1245 CD ARG A 77 2.523 -6.263 6.829 1.00 0.39 C ATOM 1246 NE ARG A 77 3.692 -7.133 6.705 1.00 0.74 N ATOM 1247 CZ ARG A 77 4.435 -7.548 7.723 1.00 1.32 C ATOM 1248 NH1 ARG A 77 4.142 -7.176 8.964 1.00 1.92 N ATOM 1249 NH2 ARG A 77 5.459 -8.361 7.496 1.00 1.62 N ATOM 0 H ARG A 77 -1.179 -5.484 7.165 1.00 0.20 H new ATOM 0 HA ARG A 77 0.427 -4.041 6.733 1.00 0.19 H new ATOM 0 HB2 ARG A 77 0.767 -5.363 4.016 1.00 0.26 H new ATOM 0 HB3 ARG A 77 1.978 -4.490 4.934 1.00 0.26 H new ATOM 0 HG2 ARG A 77 0.725 -7.042 5.975 1.00 0.31 H new ATOM 0 HG3 ARG A 77 2.104 -7.065 4.893 1.00 0.31 H new ATOM 0 HD2 ARG A 77 2.839 -5.221 6.875 1.00 0.39 H new ATOM 0 HD3 ARG A 77 1.997 -6.478 7.759 1.00 0.39 H new ATOM 0 HE ARG A 77 3.955 -7.443 5.769 1.00 0.74 H new ATOM 0 HH11 ARG A 77 3.342 -6.568 9.139 1.00 1.92 H new ATOM 0 HH12 ARG A 77 4.717 -7.498 9.742 1.00 1.92 H new ATOM 0 HH21 ARG A 77 5.670 -8.662 6.545 1.00 1.62 H new ATOM 0 HH22 ARG A 77 6.035 -8.685 8.273 1.00 1.62 H new ATOM 1263 N VAL A 78 -1.673 -2.785 5.417 1.00 0.17 N ATOM 1264 CA VAL A 78 -2.316 -1.709 4.676 1.00 0.17 C ATOM 1265 C VAL A 78 -1.643 -0.343 4.911 1.00 0.16 C ATOM 1266 O VAL A 78 -1.245 -0.004 6.023 1.00 0.23 O ATOM 1267 CB VAL A 78 -3.818 -1.621 5.016 1.00 0.18 C ATOM 1268 CG1 VAL A 78 -4.471 -0.455 4.292 1.00 0.40 C ATOM 1269 CG2 VAL A 78 -4.519 -2.923 4.668 1.00 0.35 C ATOM 0 H VAL A 78 -2.166 -3.079 6.260 1.00 0.17 H new ATOM 0 HA VAL A 78 -2.202 -1.954 3.620 1.00 0.17 H new ATOM 0 HB VAL A 78 -3.914 -1.451 6.088 1.00 0.18 H new ATOM 0 HG11 VAL A 78 -5.530 -0.414 4.548 1.00 0.40 H new ATOM 0 HG12 VAL A 78 -3.989 0.475 4.592 1.00 0.40 H new ATOM 0 HG13 VAL A 78 -4.363 -0.589 3.216 1.00 0.40 H new ATOM 0 HG21 VAL A 78 -5.578 -2.843 4.914 1.00 0.35 H new ATOM 0 HG22 VAL A 78 -4.408 -3.122 3.602 1.00 0.35 H new ATOM 0 HG23 VAL A 78 -4.074 -3.739 5.238 1.00 0.35 H new ATOM 1279 N ILE A 79 -1.483 0.400 3.824 1.00 0.13 N ATOM 1280 CA ILE A 79 -1.068 1.790 3.863 1.00 0.14 C ATOM 1281 C ILE A 79 -2.094 2.628 3.107 1.00 0.12 C ATOM 1282 O ILE A 79 -2.227 2.519 1.891 1.00 0.18 O ATOM 1283 CB ILE A 79 0.339 2.023 3.252 1.00 0.19 C ATOM 1284 CG1 ILE A 79 1.441 1.402 4.116 1.00 0.27 C ATOM 1285 CG2 ILE A 79 0.605 3.509 3.053 1.00 0.24 C ATOM 1286 CD1 ILE A 79 1.631 -0.082 3.900 1.00 0.45 C ATOM 0 H ILE A 79 -1.641 0.047 2.880 1.00 0.13 H new ATOM 0 HA ILE A 79 -1.009 2.085 4.911 1.00 0.14 H new ATOM 0 HB ILE A 79 0.354 1.529 2.280 1.00 0.19 H new ATOM 0 HG12 ILE A 79 2.382 1.912 3.908 1.00 0.27 H new ATOM 0 HG13 ILE A 79 1.208 1.579 5.166 1.00 0.27 H new ATOM 0 HG21 ILE A 79 1.597 3.647 2.624 1.00 0.24 H new ATOM 0 HG22 ILE A 79 -0.143 3.925 2.379 1.00 0.24 H new ATOM 0 HG23 ILE A 79 0.551 4.020 4.014 1.00 0.24 H new ATOM 0 HD11 ILE A 79 2.429 -0.445 4.548 1.00 0.45 H new ATOM 0 HD12 ILE A 79 0.705 -0.606 4.136 1.00 0.45 H new ATOM 0 HD13 ILE A 79 1.897 -0.267 2.859 1.00 0.45 H new ATOM 1298 N ILE A 80 -2.843 3.432 3.832 1.00 0.13 N ATOM 1299 CA ILE A 80 -3.891 4.242 3.224 1.00 0.15 C ATOM 1300 C ILE A 80 -3.441 5.674 3.012 1.00 0.16 C ATOM 1301 O ILE A 80 -2.937 6.319 3.921 1.00 0.17 O ATOM 1302 CB ILE A 80 -5.180 4.218 4.062 1.00 0.16 C ATOM 1303 CG1 ILE A 80 -6.012 5.494 3.851 1.00 0.18 C ATOM 1304 CG2 ILE A 80 -4.862 4.001 5.538 1.00 0.17 C ATOM 1305 CD1 ILE A 80 -7.182 5.613 4.799 1.00 0.22 C ATOM 0 H ILE A 80 -2.750 3.546 4.841 1.00 0.13 H new ATOM 0 HA ILE A 80 -4.101 3.800 2.250 1.00 0.15 H new ATOM 0 HB ILE A 80 -5.785 3.378 3.721 1.00 0.16 H new ATOM 0 HG12 ILE A 80 -5.366 6.364 3.972 1.00 0.18 H new ATOM 0 HG13 ILE A 80 -6.382 5.512 2.826 1.00 0.18 H new ATOM 0 HG21 ILE A 80 -5.789 3.988 6.112 1.00 0.17 H new ATOM 0 HG22 ILE A 80 -4.344 3.050 5.663 1.00 0.17 H new ATOM 0 HG23 ILE A 80 -4.225 4.810 5.896 1.00 0.17 H new ATOM 0 HD11 ILE A 80 -7.724 6.536 4.594 1.00 0.22 H new ATOM 0 HD12 ILE A 80 -7.849 4.762 4.662 1.00 0.22 H new ATOM 0 HD13 ILE A 80 -6.818 5.627 5.826 1.00 0.22 H new ATOM 1317 N MET A 81 -3.651 6.172 1.813 1.00 0.21 N ATOM 1318 CA MET A 81 -3.224 7.510 1.466 1.00 0.23 C ATOM 1319 C MET A 81 -4.405 8.465 1.386 1.00 0.20 C ATOM 1320 O MET A 81 -5.485 8.099 0.926 1.00 0.23 O ATOM 1321 CB MET A 81 -2.436 7.503 0.159 1.00 0.32 C ATOM 1322 CG MET A 81 -2.586 6.231 -0.650 1.00 0.38 C ATOM 1323 SD MET A 81 -1.677 6.282 -2.206 1.00 0.63 S ATOM 1324 CE MET A 81 -2.204 4.742 -2.954 1.00 1.09 C ATOM 0 H MET A 81 -4.117 5.668 1.059 1.00 0.21 H new ATOM 0 HA MET A 81 -2.566 7.867 2.258 1.00 0.23 H new ATOM 0 HB2 MET A 81 -2.757 8.348 -0.450 1.00 0.32 H new ATOM 0 HB3 MET A 81 -1.380 7.655 0.384 1.00 0.32 H new ATOM 0 HG2 MET A 81 -2.236 5.386 -0.058 1.00 0.38 H new ATOM 0 HG3 MET A 81 -3.642 6.060 -0.857 1.00 0.38 H new ATOM 0 HE1 MET A 81 -1.365 4.047 -2.985 1.00 1.09 H new ATOM 0 HE2 MET A 81 -3.013 4.309 -2.365 1.00 1.09 H new ATOM 0 HE3 MET A 81 -2.555 4.932 -3.968 1.00 1.09 H new ATOM 1334 N THR A 82 -4.199 9.680 1.882 1.00 0.20 N ATOM 1335 CA THR A 82 -5.237 10.705 1.889 1.00 0.20 C ATOM 1336 C THR A 82 -4.754 11.940 1.136 1.00 0.19 C ATOM 1337 O THR A 82 -3.679 11.928 0.560 1.00 0.20 O ATOM 1338 CB THR A 82 -5.617 11.094 3.334 1.00 0.29 C ATOM 1339 OG1 THR A 82 -4.729 12.105 3.835 1.00 0.82 O ATOM 1340 CG2 THR A 82 -5.567 9.886 4.257 1.00 0.53 C ATOM 0 H THR A 82 -3.313 9.981 2.288 1.00 0.20 H new ATOM 0 HA THR A 82 -6.120 10.299 1.395 1.00 0.20 H new ATOM 0 HB THR A 82 -6.635 11.482 3.312 1.00 0.29 H new ATOM 0 HG1 THR A 82 -4.269 11.770 4.633 1.00 0.82 H new ATOM 0 HG21 THR A 82 -5.839 10.189 5.268 1.00 0.53 H new ATOM 0 HG22 THR A 82 -6.268 9.129 3.904 1.00 0.53 H new ATOM 0 HG23 THR A 82 -4.558 9.473 4.261 1.00 0.53 H new ATOM 1348 N ALA A 83 -5.534 13.014 1.152 1.00 0.25 N ATOM 1349 CA ALA A 83 -5.111 14.280 0.545 1.00 0.25 C ATOM 1350 C ALA A 83 -4.086 14.990 1.429 1.00 0.28 C ATOM 1351 O ALA A 83 -4.040 16.217 1.477 1.00 0.55 O ATOM 1352 CB ALA A 83 -6.314 15.181 0.321 1.00 0.31 C ATOM 0 H ALA A 83 -6.461 13.039 1.576 1.00 0.25 H new ATOM 0 HA ALA A 83 -4.645 14.059 -0.416 1.00 0.25 H new ATOM 0 HB1 ALA A 83 -5.988 16.118 -0.130 1.00 0.31 H new ATOM 0 HB2 ALA A 83 -7.021 14.685 -0.344 1.00 0.31 H new ATOM 0 HB3 ALA A 83 -6.797 15.387 1.276 1.00 0.31 H new ATOM 1358 N TYR A 84 -3.261 14.192 2.108 1.00 0.45 N ATOM 1359 CA TYR A 84 -2.316 14.650 3.131 1.00 0.45 C ATOM 1360 C TYR A 84 -3.029 15.206 4.364 1.00 0.61 C ATOM 1361 O TYR A 84 -2.572 15.031 5.492 1.00 1.31 O ATOM 1362 CB TYR A 84 -1.329 15.671 2.558 1.00 0.47 C ATOM 1363 CG TYR A 84 -0.256 16.082 3.541 1.00 0.94 C ATOM 1364 CD1 TYR A 84 0.878 15.304 3.719 1.00 1.82 C ATOM 1365 CD2 TYR A 84 -0.380 17.245 4.293 1.00 0.98 C ATOM 1366 CE1 TYR A 84 1.860 15.668 4.618 1.00 2.58 C ATOM 1367 CE2 TYR A 84 0.599 17.615 5.195 1.00 1.61 C ATOM 1368 CZ TYR A 84 1.717 16.825 5.353 1.00 2.42 C ATOM 1369 OH TYR A 84 2.696 17.190 6.251 1.00 3.19 O ATOM 0 H TYR A 84 -3.230 13.183 1.959 1.00 0.45 H new ATOM 0 HA TYR A 84 -1.749 13.777 3.454 1.00 0.45 H new ATOM 0 HB2 TYR A 84 -0.857 15.251 1.670 1.00 0.47 H new ATOM 0 HB3 TYR A 84 -1.878 16.557 2.238 1.00 0.47 H new ATOM 0 HD1 TYR A 84 0.995 14.397 3.144 1.00 1.82 H new ATOM 0 HD2 TYR A 84 -1.254 17.868 4.170 1.00 0.98 H new ATOM 0 HE1 TYR A 84 2.736 15.049 4.745 1.00 2.58 H new ATOM 0 HE2 TYR A 84 0.488 18.520 5.774 1.00 1.61 H new ATOM 0 HH TYR A 84 2.443 18.031 6.687 1.00 3.19 H new ATOM 1379 N GLY A 85 -4.158 15.842 4.144 1.00 0.56 N ATOM 1380 CA GLY A 85 -4.909 16.440 5.227 1.00 0.62 C ATOM 1381 C GLY A 85 -6.371 16.060 5.185 1.00 0.62 C ATOM 1382 O GLY A 85 -7.221 16.774 5.714 1.00 0.75 O ATOM 0 H GLY A 85 -4.578 15.959 3.222 1.00 0.56 H new ATOM 0 HA2 GLY A 85 -4.481 16.127 6.180 1.00 0.62 H new ATOM 0 HA3 GLY A 85 -4.816 17.525 5.176 1.00 0.62 H new ATOM 1386 N GLU A 86 -6.669 14.942 4.540 1.00 0.51 N ATOM 1387 CA GLU A 86 -8.039 14.446 4.484 1.00 0.53 C ATOM 1388 C GLU A 86 -8.331 13.599 5.725 1.00 0.51 C ATOM 1389 O GLU A 86 -9.013 14.039 6.648 1.00 0.59 O ATOM 1390 CB GLU A 86 -8.248 13.614 3.217 1.00 0.51 C ATOM 1391 CG GLU A 86 -9.702 13.458 2.819 1.00 0.59 C ATOM 1392 CD GLU A 86 -10.263 14.716 2.193 1.00 0.62 C ATOM 1393 OE1 GLU A 86 -10.743 15.592 2.936 1.00 0.95 O ATOM 1394 OE2 GLU A 86 -10.218 14.834 0.951 1.00 1.12 O ATOM 0 H GLU A 86 -5.987 14.363 4.050 1.00 0.51 H new ATOM 0 HA GLU A 86 -8.724 15.293 4.460 1.00 0.53 H new ATOM 0 HB2 GLU A 86 -7.704 14.079 2.395 1.00 0.51 H new ATOM 0 HB3 GLU A 86 -7.814 12.625 3.367 1.00 0.51 H new ATOM 0 HG2 GLU A 86 -9.797 12.631 2.116 1.00 0.59 H new ATOM 0 HG3 GLU A 86 -10.291 13.198 3.698 1.00 0.59 H new ATOM 1401 N LEU A 87 -7.787 12.383 5.724 1.00 0.42 N ATOM 1402 CA LEU A 87 -7.857 11.466 6.864 1.00 0.42 C ATOM 1403 C LEU A 87 -9.286 11.160 7.303 1.00 0.49 C ATOM 1404 O LEU A 87 -9.540 10.906 8.482 1.00 0.63 O ATOM 1405 CB LEU A 87 -7.034 11.987 8.050 1.00 0.45 C ATOM 1406 CG LEU A 87 -5.511 11.939 7.865 1.00 0.45 C ATOM 1407 CD1 LEU A 87 -5.021 13.103 7.020 1.00 0.47 C ATOM 1408 CD2 LEU A 87 -4.809 11.926 9.214 1.00 0.52 C ATOM 0 H LEU A 87 -7.280 12.002 4.925 1.00 0.42 H new ATOM 0 HA LEU A 87 -7.425 10.527 6.518 1.00 0.42 H new ATOM 0 HB2 LEU A 87 -7.327 13.018 8.249 1.00 0.45 H new ATOM 0 HB3 LEU A 87 -7.294 11.406 8.935 1.00 0.45 H new ATOM 0 HG LEU A 87 -5.268 11.017 7.337 1.00 0.45 H new ATOM 0 HD11 LEU A 87 -3.939 13.041 6.907 1.00 0.47 H new ATOM 0 HD12 LEU A 87 -5.491 13.062 6.037 1.00 0.47 H new ATOM 0 HD13 LEU A 87 -5.281 14.042 7.508 1.00 0.47 H new ATOM 0 HD21 LEU A 87 -3.730 11.892 9.062 1.00 0.52 H new ATOM 0 HD22 LEU A 87 -5.069 12.828 9.768 1.00 0.52 H new ATOM 0 HD23 LEU A 87 -5.124 11.049 9.780 1.00 0.52 H new ATOM 1420 N ASP A 88 -10.203 11.129 6.350 1.00 0.60 N ATOM 1421 CA ASP A 88 -11.569 10.695 6.632 1.00 0.71 C ATOM 1422 C ASP A 88 -11.583 9.204 6.911 1.00 0.77 C ATOM 1423 O ASP A 88 -11.243 8.409 6.034 1.00 1.71 O ATOM 1424 CB ASP A 88 -12.516 10.992 5.468 1.00 0.91 C ATOM 1425 CG ASP A 88 -13.100 12.385 5.512 1.00 1.10 C ATOM 1426 OD1 ASP A 88 -13.867 12.680 6.453 1.00 1.18 O ATOM 1427 OD2 ASP A 88 -12.827 13.179 4.588 1.00 1.52 O ATOM 0 H ASP A 88 -10.032 11.396 5.380 1.00 0.60 H new ATOM 0 HA ASP A 88 -11.916 11.251 7.503 1.00 0.71 H new ATOM 0 HB2 ASP A 88 -11.978 10.861 4.529 1.00 0.91 H new ATOM 0 HB3 ASP A 88 -13.328 10.265 5.475 1.00 0.91 H new ATOM 1432 N MET A 89 -11.945 8.836 8.142 1.00 0.63 N ATOM 1433 CA MET A 89 -12.044 7.432 8.544 1.00 0.55 C ATOM 1434 C MET A 89 -10.652 6.767 8.564 1.00 0.45 C ATOM 1435 O MET A 89 -10.506 5.541 8.669 1.00 0.47 O ATOM 1436 CB MET A 89 -13.039 6.724 7.609 1.00 0.73 C ATOM 1437 CG MET A 89 -13.312 5.273 7.939 1.00 0.82 C ATOM 1438 SD MET A 89 -14.965 4.748 7.445 1.00 1.55 S ATOM 1439 CE MET A 89 -15.009 3.083 8.104 1.00 2.18 C ATOM 0 H MET A 89 -12.176 9.498 8.883 1.00 0.63 H new ATOM 0 HA MET A 89 -12.422 7.353 9.563 1.00 0.55 H new ATOM 0 HB2 MET A 89 -13.983 7.269 7.630 1.00 0.73 H new ATOM 0 HB3 MET A 89 -12.659 6.783 6.589 1.00 0.73 H new ATOM 0 HG2 MET A 89 -12.572 4.646 7.442 1.00 0.82 H new ATOM 0 HG3 MET A 89 -13.191 5.119 9.011 1.00 0.82 H new ATOM 0 HE1 MET A 89 -16.045 2.764 8.218 1.00 2.18 H new ATOM 0 HE2 MET A 89 -14.494 2.407 7.421 1.00 2.18 H new ATOM 0 HE3 MET A 89 -14.514 3.063 9.075 1.00 2.18 H new ATOM 1449 N ILE A 90 -9.627 7.616 8.509 1.00 0.37 N ATOM 1450 CA ILE A 90 -8.233 7.198 8.577 1.00 0.31 C ATOM 1451 C ILE A 90 -7.935 6.444 9.871 1.00 0.27 C ATOM 1452 O ILE A 90 -7.139 5.506 9.885 1.00 0.27 O ATOM 1453 CB ILE A 90 -7.307 8.443 8.465 1.00 0.31 C ATOM 1454 CG1 ILE A 90 -6.427 8.328 7.230 1.00 0.38 C ATOM 1455 CG2 ILE A 90 -6.455 8.647 9.714 1.00 0.29 C ATOM 1456 CD1 ILE A 90 -5.452 7.173 7.283 1.00 0.42 C ATOM 0 H ILE A 90 -9.746 8.625 8.415 1.00 0.37 H new ATOM 0 HA ILE A 90 -8.043 6.520 7.745 1.00 0.31 H new ATOM 0 HB ILE A 90 -7.947 9.320 8.372 1.00 0.31 H new ATOM 0 HG12 ILE A 90 -7.062 8.216 6.351 1.00 0.38 H new ATOM 0 HG13 ILE A 90 -5.870 9.256 7.104 1.00 0.38 H new ATOM 0 HG21 ILE A 90 -5.827 9.528 9.586 1.00 0.29 H new ATOM 0 HG22 ILE A 90 -7.104 8.787 10.578 1.00 0.29 H new ATOM 0 HG23 ILE A 90 -5.825 7.772 9.871 1.00 0.29 H new ATOM 0 HD11 ILE A 90 -4.859 7.155 6.369 1.00 0.42 H new ATOM 0 HD12 ILE A 90 -4.791 7.294 8.142 1.00 0.42 H new ATOM 0 HD13 ILE A 90 -6.002 6.237 7.377 1.00 0.42 H new ATOM 1468 N GLN A 91 -8.595 6.855 10.940 1.00 0.29 N ATOM 1469 CA GLN A 91 -8.303 6.347 12.273 1.00 0.31 C ATOM 1470 C GLN A 91 -8.608 4.860 12.377 1.00 0.31 C ATOM 1471 O GLN A 91 -7.753 4.069 12.770 1.00 0.32 O ATOM 1472 CB GLN A 91 -9.092 7.140 13.305 1.00 0.39 C ATOM 1473 CG GLN A 91 -8.757 8.623 13.284 1.00 0.45 C ATOM 1474 CD GLN A 91 -9.796 9.474 13.984 1.00 1.35 C ATOM 1475 OE1 GLN A 91 -10.032 10.619 13.597 1.00 2.14 O ATOM 1476 NE2 GLN A 91 -10.408 8.934 15.023 1.00 2.10 N ATOM 0 H GLN A 91 -9.345 7.546 10.911 1.00 0.29 H new ATOM 0 HA GLN A 91 -7.238 6.471 12.469 1.00 0.31 H new ATOM 0 HB2 GLN A 91 -10.158 7.010 13.120 1.00 0.39 H new ATOM 0 HB3 GLN A 91 -8.889 6.739 14.298 1.00 0.39 H new ATOM 0 HG2 GLN A 91 -7.788 8.778 13.759 1.00 0.45 H new ATOM 0 HG3 GLN A 91 -8.661 8.954 12.250 1.00 0.45 H new ATOM 0 HE21 GLN A 91 -10.182 7.982 15.310 1.00 2.10 H new ATOM 0 HE22 GLN A 91 -11.107 9.470 15.538 1.00 2.10 H new ATOM 1485 N GLU A 92 -9.819 4.478 12.005 1.00 0.38 N ATOM 1486 CA GLU A 92 -10.187 3.073 11.974 1.00 0.42 C ATOM 1487 C GLU A 92 -9.346 2.330 10.953 1.00 0.34 C ATOM 1488 O GLU A 92 -8.869 1.234 11.221 1.00 0.33 O ATOM 1489 CB GLU A 92 -11.673 2.865 11.673 1.00 0.55 C ATOM 1490 CG GLU A 92 -12.337 3.971 10.867 1.00 0.64 C ATOM 1491 CD GLU A 92 -12.674 5.192 11.701 1.00 1.21 C ATOM 1492 OE1 GLU A 92 -13.746 5.203 12.338 1.00 1.73 O ATOM 1493 OE2 GLU A 92 -11.869 6.143 11.717 1.00 1.52 O ATOM 0 H GLU A 92 -10.561 5.118 11.722 1.00 0.38 H new ATOM 0 HA GLU A 92 -9.995 2.672 12.969 1.00 0.42 H new ATOM 0 HB2 GLU A 92 -11.789 1.925 11.133 1.00 0.55 H new ATOM 0 HB3 GLU A 92 -12.206 2.757 12.618 1.00 0.55 H new ATOM 0 HG2 GLU A 92 -11.676 4.266 10.052 1.00 0.64 H new ATOM 0 HG3 GLU A 92 -13.250 3.585 10.413 1.00 0.64 H new ATOM 1500 N SER A 93 -9.157 2.940 9.790 1.00 0.32 N ATOM 1501 CA SER A 93 -8.361 2.338 8.729 1.00 0.27 C ATOM 1502 C SER A 93 -6.971 1.918 9.232 1.00 0.21 C ATOM 1503 O SER A 93 -6.537 0.791 8.995 1.00 0.22 O ATOM 1504 CB SER A 93 -8.229 3.298 7.551 1.00 0.33 C ATOM 1505 OG SER A 93 -7.627 2.661 6.437 1.00 0.98 O ATOM 0 H SER A 93 -9.546 3.854 9.557 1.00 0.32 H new ATOM 0 HA SER A 93 -8.881 1.439 8.398 1.00 0.27 H new ATOM 0 HB2 SER A 93 -9.214 3.672 7.271 1.00 0.33 H new ATOM 0 HB3 SER A 93 -7.632 4.161 7.846 1.00 0.33 H new ATOM 0 HG SER A 93 -8.176 1.898 6.160 1.00 0.98 H new ATOM 1511 N LYS A 94 -6.286 2.817 9.939 1.00 0.21 N ATOM 1512 CA LYS A 94 -4.930 2.541 10.420 1.00 0.21 C ATOM 1513 C LYS A 94 -4.930 1.567 11.601 1.00 0.25 C ATOM 1514 O LYS A 94 -4.092 0.670 11.660 1.00 0.31 O ATOM 1515 CB LYS A 94 -4.205 3.835 10.806 1.00 0.23 C ATOM 1516 CG LYS A 94 -4.919 4.643 11.869 1.00 0.30 C ATOM 1517 CD LYS A 94 -4.152 5.899 12.253 1.00 0.43 C ATOM 1518 CE LYS A 94 -2.838 5.563 12.940 1.00 0.65 C ATOM 1519 NZ LYS A 94 -2.130 6.782 13.406 1.00 1.25 N ATOM 0 H LYS A 94 -6.644 3.738 10.191 1.00 0.21 H new ATOM 0 HA LYS A 94 -4.393 2.071 9.596 1.00 0.21 H new ATOM 0 HB2 LYS A 94 -3.205 3.588 11.162 1.00 0.23 H new ATOM 0 HB3 LYS A 94 -4.083 4.451 9.915 1.00 0.23 H new ATOM 0 HG2 LYS A 94 -5.909 4.921 11.507 1.00 0.30 H new ATOM 0 HG3 LYS A 94 -5.066 4.025 12.755 1.00 0.30 H new ATOM 0 HD2 LYS A 94 -3.955 6.493 11.361 1.00 0.43 H new ATOM 0 HD3 LYS A 94 -4.764 6.512 12.915 1.00 0.43 H new ATOM 0 HE2 LYS A 94 -3.030 4.907 13.789 1.00 0.65 H new ATOM 0 HE3 LYS A 94 -2.198 5.013 12.250 1.00 0.65 H new ATOM 0 HZ1 LYS A 94 -1.239 6.510 13.869 1.00 1.25 H new ATOM 0 HZ2 LYS A 94 -1.924 7.396 12.592 1.00 1.25 H new ATOM 0 HZ3 LYS A 94 -2.730 7.294 14.084 1.00 1.25 H new ATOM 1533 N GLU A 95 -5.871 1.725 12.530 1.00 0.30 N ATOM 1534 CA GLU A 95 -5.872 0.910 13.747 1.00 0.44 C ATOM 1535 C GLU A 95 -6.364 -0.506 13.477 1.00 0.51 C ATOM 1536 O GLU A 95 -6.060 -1.435 14.227 1.00 0.66 O ATOM 1537 CB GLU A 95 -6.744 1.539 14.830 1.00 0.49 C ATOM 1538 CG GLU A 95 -8.222 1.584 14.476 1.00 0.44 C ATOM 1539 CD GLU A 95 -9.090 1.941 15.658 1.00 0.59 C ATOM 1540 OE1 GLU A 95 -9.304 3.144 15.906 1.00 0.85 O ATOM 1541 OE2 GLU A 95 -9.569 1.014 16.344 1.00 0.67 O ATOM 0 H GLU A 95 -6.633 2.400 12.467 1.00 0.30 H new ATOM 0 HA GLU A 95 -4.839 0.865 14.092 1.00 0.44 H new ATOM 0 HB2 GLU A 95 -6.618 0.978 15.756 1.00 0.49 H new ATOM 0 HB3 GLU A 95 -6.394 2.553 15.022 1.00 0.49 H new ATOM 0 HG2 GLU A 95 -8.380 2.313 13.681 1.00 0.44 H new ATOM 0 HG3 GLU A 95 -8.528 0.614 14.085 1.00 0.44 H new ATOM 1548 N LEU A 96 -7.135 -0.661 12.413 1.00 0.51 N ATOM 1549 CA LEU A 96 -7.767 -1.933 12.098 1.00 0.64 C ATOM 1550 C LEU A 96 -6.741 -3.017 11.797 1.00 0.93 C ATOM 1551 O LEU A 96 -6.922 -4.175 12.168 1.00 1.73 O ATOM 1552 CB LEU A 96 -8.723 -1.750 10.920 1.00 0.53 C ATOM 1553 CG LEU A 96 -10.195 -2.017 11.231 1.00 0.41 C ATOM 1554 CD1 LEU A 96 -10.515 -1.661 12.678 1.00 0.40 C ATOM 1555 CD2 LEU A 96 -11.087 -1.220 10.302 1.00 0.40 C ATOM 0 H LEU A 96 -7.340 0.085 11.748 1.00 0.51 H new ATOM 0 HA LEU A 96 -8.328 -2.261 12.973 1.00 0.64 H new ATOM 0 HB2 LEU A 96 -8.626 -0.730 10.548 1.00 0.53 H new ATOM 0 HB3 LEU A 96 -8.412 -2.414 10.113 1.00 0.53 H new ATOM 0 HG LEU A 96 -10.382 -3.080 11.080 1.00 0.41 H new ATOM 0 HD11 LEU A 96 -11.568 -1.859 12.877 1.00 0.40 H new ATOM 0 HD12 LEU A 96 -9.900 -2.264 13.346 1.00 0.40 H new ATOM 0 HD13 LEU A 96 -10.306 -0.605 12.848 1.00 0.40 H new ATOM 0 HD21 LEU A 96 -12.132 -1.423 10.538 1.00 0.40 H new ATOM 0 HD22 LEU A 96 -10.886 -0.156 10.429 1.00 0.40 H new ATOM 0 HD23 LEU A 96 -10.886 -1.507 9.270 1.00 0.40 H new ATOM 1567 N GLY A 97 -5.656 -2.635 11.151 1.00 0.54 N ATOM 1568 CA GLY A 97 -4.654 -3.608 10.782 1.00 0.69 C ATOM 1569 C GLY A 97 -3.623 -3.035 9.843 1.00 0.61 C ATOM 1570 O GLY A 97 -2.521 -3.564 9.710 1.00 0.88 O ATOM 0 H GLY A 97 -5.450 -1.675 10.876 1.00 0.54 H new ATOM 0 HA2 GLY A 97 -4.160 -3.977 11.681 1.00 0.69 H new ATOM 0 HA3 GLY A 97 -5.137 -4.464 10.310 1.00 0.69 H new ATOM 1574 N ALA A 98 -4.000 -1.965 9.171 1.00 0.32 N ATOM 1575 CA ALA A 98 -3.092 -1.235 8.303 1.00 0.27 C ATOM 1576 C ALA A 98 -1.785 -0.913 9.013 1.00 0.19 C ATOM 1577 O ALA A 98 -1.780 -0.521 10.180 1.00 0.22 O ATOM 1578 CB ALA A 98 -3.752 0.047 7.821 1.00 0.26 C ATOM 0 H ALA A 98 -4.942 -1.576 9.210 1.00 0.32 H new ATOM 0 HA ALA A 98 -2.862 -1.869 7.446 1.00 0.27 H new ATOM 0 HB1 ALA A 98 -3.064 0.588 7.171 1.00 0.26 H new ATOM 0 HB2 ALA A 98 -4.659 -0.196 7.268 1.00 0.26 H new ATOM 0 HB3 ALA A 98 -4.007 0.670 8.679 1.00 0.26 H new ATOM 1584 N LEU A 99 -0.681 -1.111 8.308 1.00 0.18 N ATOM 1585 CA LEU A 99 0.628 -0.763 8.836 1.00 0.23 C ATOM 1586 C LEU A 99 0.697 0.724 9.127 1.00 0.26 C ATOM 1587 O LEU A 99 1.231 1.138 10.158 1.00 0.39 O ATOM 1588 CB LEU A 99 1.752 -1.126 7.857 1.00 0.51 C ATOM 1589 CG LEU A 99 1.867 -2.584 7.464 1.00 0.60 C ATOM 1590 CD1 LEU A 99 3.019 -2.748 6.480 1.00 1.27 C ATOM 1591 CD2 LEU A 99 2.092 -3.441 8.696 1.00 1.26 C ATOM 0 H LEU A 99 -0.666 -1.511 7.370 1.00 0.18 H new ATOM 0 HA LEU A 99 0.767 -1.335 9.754 1.00 0.23 H new ATOM 0 HB2 LEU A 99 1.615 -0.539 6.949 1.00 0.51 H new ATOM 0 HB3 LEU A 99 2.700 -0.816 8.297 1.00 0.51 H new ATOM 0 HG LEU A 99 0.941 -2.908 6.988 1.00 0.60 H new ATOM 0 HD11 LEU A 99 3.106 -3.796 6.194 1.00 1.27 H new ATOM 0 HD12 LEU A 99 2.829 -2.144 5.593 1.00 1.27 H new ATOM 0 HD13 LEU A 99 3.947 -2.421 6.949 1.00 1.27 H new ATOM 0 HD21 LEU A 99 2.173 -4.487 8.402 1.00 1.26 H new ATOM 0 HD22 LEU A 99 3.012 -3.131 9.192 1.00 1.26 H new ATOM 0 HD23 LEU A 99 1.253 -3.321 9.381 1.00 1.26 H new ATOM 1603 N THR A 100 0.158 1.529 8.217 1.00 0.23 N ATOM 1604 CA THR A 100 0.204 2.972 8.386 1.00 0.28 C ATOM 1605 C THR A 100 -0.579 3.677 7.282 1.00 0.24 C ATOM 1606 O THR A 100 -1.411 3.070 6.605 1.00 0.25 O ATOM 1607 CB THR A 100 1.670 3.484 8.423 1.00 0.36 C ATOM 1608 OG1 THR A 100 1.706 4.869 8.799 1.00 0.42 O ATOM 1609 CG2 THR A 100 2.360 3.301 7.075 1.00 0.34 C ATOM 0 H THR A 100 -0.309 1.210 7.368 1.00 0.23 H new ATOM 0 HA THR A 100 -0.264 3.208 9.342 1.00 0.28 H new ATOM 0 HB THR A 100 2.206 2.892 9.165 1.00 0.36 H new ATOM 0 HG1 THR A 100 2.636 5.178 8.820 1.00 0.42 H new ATOM 0 HG21 THR A 100 3.384 3.670 7.137 1.00 0.34 H new ATOM 0 HG22 THR A 100 2.371 2.243 6.812 1.00 0.34 H new ATOM 0 HG23 THR A 100 1.819 3.859 6.311 1.00 0.34 H new ATOM 1617 N HIS A 101 -0.321 4.961 7.120 1.00 0.29 N ATOM 1618 CA HIS A 101 -1.012 5.771 6.147 1.00 0.28 C ATOM 1619 C HIS A 101 -0.018 6.608 5.353 1.00 0.27 C ATOM 1620 O HIS A 101 1.114 6.818 5.782 1.00 0.35 O ATOM 1621 CB HIS A 101 -2.028 6.683 6.848 1.00 0.32 C ATOM 1622 CG HIS A 101 -1.434 7.920 7.465 1.00 0.42 C ATOM 1623 ND1 HIS A 101 -0.808 7.938 8.694 1.00 1.12 N ATOM 1624 CD2 HIS A 101 -1.371 9.190 6.999 1.00 1.14 C ATOM 1625 CE1 HIS A 101 -0.387 9.163 8.951 1.00 0.93 C ATOM 1626 NE2 HIS A 101 -0.717 9.940 7.940 1.00 0.92 N ATOM 0 H HIS A 101 0.377 5.469 7.664 1.00 0.29 H new ATOM 0 HA HIS A 101 -1.542 5.114 5.458 1.00 0.28 H new ATOM 0 HB2 HIS A 101 -2.788 6.981 6.126 1.00 0.32 H new ATOM 0 HB3 HIS A 101 -2.534 6.111 7.626 1.00 0.32 H new ATOM 0 HD2 HIS A 101 -1.764 9.546 6.058 1.00 1.14 H new ATOM 0 HE1 HIS A 101 0.139 9.475 9.841 1.00 0.93 H new ATOM 0 HE2 HIS A 101 -0.518 10.938 7.869 1.00 0.92 H new ATOM 1635 N PHE A 102 -0.457 7.083 4.206 1.00 0.25 N ATOM 1636 CA PHE A 102 0.321 7.996 3.397 1.00 0.24 C ATOM 1637 C PHE A 102 -0.602 9.069 2.847 1.00 0.20 C ATOM 1638 O PHE A 102 -1.671 9.334 3.405 1.00 0.21 O ATOM 1639 CB PHE A 102 1.034 7.249 2.267 1.00 0.30 C ATOM 1640 CG PHE A 102 2.474 7.646 2.128 1.00 0.54 C ATOM 1641 CD1 PHE A 102 3.454 7.005 2.865 1.00 0.85 C ATOM 1642 CD2 PHE A 102 2.847 8.665 1.270 1.00 0.99 C ATOM 1643 CE1 PHE A 102 4.780 7.373 2.747 1.00 1.13 C ATOM 1644 CE2 PHE A 102 4.171 9.038 1.150 1.00 1.33 C ATOM 1645 CZ PHE A 102 5.138 8.392 1.890 1.00 1.29 C ATOM 0 H PHE A 102 -1.366 6.846 3.808 1.00 0.25 H new ATOM 0 HA PHE A 102 1.091 8.463 4.010 1.00 0.24 H new ATOM 0 HB2 PHE A 102 0.973 6.176 2.451 1.00 0.30 H new ATOM 0 HB3 PHE A 102 0.516 7.441 1.327 1.00 0.30 H new ATOM 0 HD1 PHE A 102 3.179 6.208 3.540 1.00 0.85 H new ATOM 0 HD2 PHE A 102 2.094 9.175 0.687 1.00 0.99 H new ATOM 0 HE1 PHE A 102 5.536 6.863 3.326 1.00 1.13 H new ATOM 0 HE2 PHE A 102 4.449 9.835 0.477 1.00 1.33 H new ATOM 0 HZ PHE A 102 6.174 8.683 1.799 1.00 1.29 H new ATOM 1655 N ALA A 103 -0.204 9.675 1.757 1.00 0.22 N ATOM 1656 CA ALA A 103 -0.978 10.731 1.151 1.00 0.23 C ATOM 1657 C ALA A 103 -0.883 10.618 -0.355 1.00 0.31 C ATOM 1658 O ALA A 103 0.186 10.379 -0.867 1.00 0.47 O ATOM 1659 CB ALA A 103 -0.467 12.084 1.627 1.00 0.34 C ATOM 0 H ALA A 103 0.662 9.452 1.266 1.00 0.22 H new ATOM 0 HA ALA A 103 -2.024 10.639 1.445 1.00 0.23 H new ATOM 0 HB1 ALA A 103 -1.055 12.878 1.166 1.00 0.34 H new ATOM 0 HB2 ALA A 103 -0.559 12.147 2.711 1.00 0.34 H new ATOM 0 HB3 ALA A 103 0.580 12.197 1.345 1.00 0.34 H new ATOM 1665 N LYS A 104 -2.003 10.765 -1.047 1.00 0.26 N ATOM 1666 CA LYS A 104 -2.027 10.757 -2.510 1.00 0.33 C ATOM 1667 C LYS A 104 -1.044 11.795 -3.096 1.00 0.40 C ATOM 1668 O LYS A 104 -0.398 11.531 -4.107 1.00 0.51 O ATOM 1669 CB LYS A 104 -3.455 11.018 -3.001 1.00 0.32 C ATOM 1670 CG LYS A 104 -3.617 10.985 -4.507 1.00 0.53 C ATOM 1671 CD LYS A 104 -3.277 9.619 -5.069 1.00 0.93 C ATOM 1672 CE LYS A 104 -3.964 9.393 -6.400 1.00 1.15 C ATOM 1673 NZ LYS A 104 -5.440 9.363 -6.252 1.00 2.18 N ATOM 0 H LYS A 104 -2.919 10.893 -0.617 1.00 0.26 H new ATOM 0 HA LYS A 104 -1.704 9.776 -2.857 1.00 0.33 H new ATOM 0 HB2 LYS A 104 -4.119 10.274 -2.560 1.00 0.32 H new ATOM 0 HB3 LYS A 104 -3.779 11.992 -2.635 1.00 0.32 H new ATOM 0 HG2 LYS A 104 -4.643 11.244 -4.770 1.00 0.53 H new ATOM 0 HG3 LYS A 104 -2.972 11.738 -4.961 1.00 0.53 H new ATOM 0 HD2 LYS A 104 -2.198 9.531 -5.193 1.00 0.93 H new ATOM 0 HD3 LYS A 104 -3.580 8.846 -4.363 1.00 0.93 H new ATOM 0 HE2 LYS A 104 -3.683 10.185 -7.095 1.00 1.15 H new ATOM 0 HE3 LYS A 104 -3.621 8.453 -6.832 1.00 1.15 H new ATOM 0 HZ1 LYS A 104 -5.845 8.703 -6.946 1.00 2.18 H new ATOM 0 HZ2 LYS A 104 -5.686 9.049 -5.291 1.00 2.18 H new ATOM 0 HZ3 LYS A 104 -5.825 10.316 -6.414 1.00 2.18 H new ATOM 1687 N PRO A 105 -0.938 12.999 -2.484 1.00 0.39 N ATOM 1688 CA PRO A 105 0.117 13.994 -2.789 1.00 0.50 C ATOM 1689 C PRO A 105 1.562 13.481 -2.582 1.00 0.66 C ATOM 1690 O PRO A 105 2.520 14.241 -2.751 1.00 1.25 O ATOM 1691 CB PRO A 105 -0.188 15.107 -1.763 1.00 0.51 C ATOM 1692 CG PRO A 105 -0.986 14.424 -0.715 1.00 0.60 C ATOM 1693 CD PRO A 105 -1.877 13.559 -1.505 1.00 0.35 C ATOM 0 HA PRO A 105 0.091 14.289 -3.838 1.00 0.50 H new ATOM 0 HB2 PRO A 105 0.728 15.533 -1.353 1.00 0.51 H new ATOM 0 HB3 PRO A 105 -0.745 15.926 -2.217 1.00 0.51 H new ATOM 0 HG2 PRO A 105 -0.357 13.847 -0.037 1.00 0.60 H new ATOM 0 HG3 PRO A 105 -1.545 15.133 -0.105 1.00 0.60 H new ATOM 0 HD2 PRO A 105 -2.346 12.786 -0.896 1.00 0.35 H new ATOM 0 HD3 PRO A 105 -2.681 14.121 -1.981 1.00 0.35 H new ATOM 1701 N PHE A 106 1.699 12.213 -2.184 1.00 0.50 N ATOM 1702 CA PHE A 106 3.005 11.571 -1.920 1.00 0.65 C ATOM 1703 C PHE A 106 4.070 11.810 -2.992 1.00 0.35 C ATOM 1704 O PHE A 106 3.773 12.100 -4.154 1.00 0.68 O ATOM 1705 CB PHE A 106 2.838 10.046 -1.777 1.00 1.19 C ATOM 1706 CG PHE A 106 2.379 9.334 -3.032 1.00 2.49 C ATOM 1707 CD1 PHE A 106 3.285 8.976 -4.015 1.00 3.00 C ATOM 1708 CD2 PHE A 106 1.041 9.028 -3.226 1.00 3.26 C ATOM 1709 CE1 PHE A 106 2.872 8.328 -5.161 1.00 4.24 C ATOM 1710 CE2 PHE A 106 0.621 8.380 -4.370 1.00 4.50 C ATOM 1711 CZ PHE A 106 1.532 8.028 -5.336 1.00 4.99 C ATOM 0 H PHE A 106 0.904 11.592 -2.033 1.00 0.50 H new ATOM 0 HA PHE A 106 3.351 12.039 -0.998 1.00 0.65 H new ATOM 0 HB2 PHE A 106 3.790 9.619 -1.462 1.00 1.19 H new ATOM 0 HB3 PHE A 106 2.121 9.847 -0.981 1.00 1.19 H new ATOM 0 HD1 PHE A 106 4.332 9.207 -3.883 1.00 3.00 H new ATOM 0 HD2 PHE A 106 0.317 9.300 -2.472 1.00 3.26 H new ATOM 0 HE1 PHE A 106 3.592 8.056 -5.919 1.00 4.24 H new ATOM 0 HE2 PHE A 106 -0.425 8.149 -4.506 1.00 4.50 H new ATOM 0 HZ PHE A 106 1.204 7.518 -6.230 1.00 4.99 H new ATOM 1721 N ASP A 107 5.321 11.670 -2.562 1.00 0.40 N ATOM 1722 CA ASP A 107 6.439 11.454 -3.467 1.00 0.37 C ATOM 1723 C ASP A 107 6.533 9.964 -3.740 1.00 0.47 C ATOM 1724 O ASP A 107 6.542 9.167 -2.801 1.00 0.66 O ATOM 1725 CB ASP A 107 7.766 11.928 -2.858 1.00 0.45 C ATOM 1726 CG ASP A 107 7.884 13.433 -2.752 1.00 1.16 C ATOM 1727 OD1 ASP A 107 7.331 14.011 -1.795 1.00 1.63 O ATOM 1728 OD2 ASP A 107 8.543 14.045 -3.621 1.00 1.67 O ATOM 0 H ASP A 107 5.585 11.703 -1.577 1.00 0.40 H new ATOM 0 HA ASP A 107 6.267 12.025 -4.380 1.00 0.37 H new ATOM 0 HB2 ASP A 107 7.875 11.493 -1.865 1.00 0.45 H new ATOM 0 HB3 ASP A 107 8.589 11.550 -3.464 1.00 0.45 H new ATOM 1733 N ILE A 108 6.597 9.586 -5.005 1.00 0.48 N ATOM 1734 CA ILE A 108 6.633 8.173 -5.379 1.00 0.58 C ATOM 1735 C ILE A 108 7.838 7.490 -4.749 1.00 0.50 C ATOM 1736 O ILE A 108 7.745 6.387 -4.205 1.00 0.44 O ATOM 1737 CB ILE A 108 6.717 8.003 -6.906 1.00 0.75 C ATOM 1738 CG1 ILE A 108 5.741 8.949 -7.612 1.00 0.70 C ATOM 1739 CG2 ILE A 108 6.415 6.562 -7.281 1.00 1.04 C ATOM 1740 CD1 ILE A 108 5.814 8.883 -9.124 1.00 1.13 C ATOM 0 H ILE A 108 6.625 10.233 -5.793 1.00 0.48 H new ATOM 0 HA ILE A 108 5.712 7.717 -5.017 1.00 0.58 H new ATOM 0 HB ILE A 108 7.728 8.253 -7.229 1.00 0.75 H new ATOM 0 HG12 ILE A 108 4.725 8.711 -7.296 1.00 0.70 H new ATOM 0 HG13 ILE A 108 5.944 9.971 -7.292 1.00 0.70 H new ATOM 0 HG21 ILE A 108 6.476 6.447 -8.363 1.00 1.04 H new ATOM 0 HG22 ILE A 108 7.140 5.902 -6.805 1.00 1.04 H new ATOM 0 HG23 ILE A 108 5.412 6.301 -6.944 1.00 1.04 H new ATOM 0 HD11 ILE A 108 5.095 9.580 -9.554 1.00 1.13 H new ATOM 0 HD12 ILE A 108 6.819 9.150 -9.452 1.00 1.13 H new ATOM 0 HD13 ILE A 108 5.581 7.871 -9.456 1.00 1.13 H new ATOM 1752 N ASP A 109 8.957 8.180 -4.818 1.00 0.49 N ATOM 1753 CA ASP A 109 10.212 7.729 -4.237 1.00 0.42 C ATOM 1754 C ASP A 109 10.069 7.477 -2.744 1.00 0.34 C ATOM 1755 O ASP A 109 10.637 6.523 -2.218 1.00 0.30 O ATOM 1756 CB ASP A 109 11.268 8.795 -4.500 1.00 0.46 C ATOM 1757 CG ASP A 109 12.566 8.543 -3.768 1.00 0.98 C ATOM 1758 OD1 ASP A 109 13.426 7.822 -4.311 1.00 1.88 O ATOM 1759 OD2 ASP A 109 12.727 9.051 -2.646 1.00 0.89 O ATOM 0 H ASP A 109 9.025 9.084 -5.285 1.00 0.49 H new ATOM 0 HA ASP A 109 10.507 6.785 -4.695 1.00 0.42 H new ATOM 0 HB2 ASP A 109 11.466 8.844 -5.571 1.00 0.46 H new ATOM 0 HB3 ASP A 109 10.875 9.767 -4.204 1.00 0.46 H new ATOM 1764 N GLU A 110 9.284 8.302 -2.066 1.00 0.35 N ATOM 1765 CA GLU A 110 9.101 8.130 -0.636 1.00 0.35 C ATOM 1766 C GLU A 110 8.048 7.057 -0.371 1.00 0.33 C ATOM 1767 O GLU A 110 7.935 6.544 0.735 1.00 0.34 O ATOM 1768 CB GLU A 110 8.720 9.450 0.045 1.00 0.49 C ATOM 1769 CG GLU A 110 8.672 9.344 1.563 1.00 0.62 C ATOM 1770 CD GLU A 110 8.565 10.684 2.258 1.00 1.15 C ATOM 1771 OE1 GLU A 110 9.584 11.399 2.336 1.00 1.71 O ATOM 1772 OE2 GLU A 110 7.470 11.018 2.753 1.00 1.68 O ATOM 0 H GLU A 110 8.772 9.084 -2.476 1.00 0.35 H new ATOM 0 HA GLU A 110 10.050 7.807 -0.207 1.00 0.35 H new ATOM 0 HB2 GLU A 110 9.439 10.219 -0.237 1.00 0.49 H new ATOM 0 HB3 GLU A 110 7.746 9.774 -0.322 1.00 0.49 H new ATOM 0 HG2 GLU A 110 7.821 8.726 1.850 1.00 0.62 H new ATOM 0 HG3 GLU A 110 9.569 8.833 1.912 1.00 0.62 H new ATOM 1779 N ILE A 111 7.296 6.702 -1.401 1.00 0.34 N ATOM 1780 CA ILE A 111 6.303 5.652 -1.283 1.00 0.33 C ATOM 1781 C ILE A 111 6.970 4.274 -1.381 1.00 0.28 C ATOM 1782 O ILE A 111 6.718 3.397 -0.550 1.00 0.27 O ATOM 1783 CB ILE A 111 5.166 5.843 -2.322 1.00 0.36 C ATOM 1784 CG1 ILE A 111 3.887 6.272 -1.604 1.00 0.61 C ATOM 1785 CG2 ILE A 111 4.923 4.599 -3.161 1.00 0.69 C ATOM 1786 CD1 ILE A 111 3.359 5.238 -0.633 1.00 1.06 C ATOM 0 H ILE A 111 7.356 7.127 -2.326 1.00 0.34 H new ATOM 0 HA ILE A 111 5.836 5.714 -0.300 1.00 0.33 H new ATOM 0 HB ILE A 111 5.478 6.624 -3.016 1.00 0.36 H new ATOM 0 HG12 ILE A 111 4.077 7.200 -1.065 1.00 0.61 H new ATOM 0 HG13 ILE A 111 3.118 6.486 -2.347 1.00 0.61 H new ATOM 0 HG21 ILE A 111 4.118 4.790 -3.870 1.00 0.69 H new ATOM 0 HG22 ILE A 111 5.832 4.344 -3.705 1.00 0.69 H new ATOM 0 HG23 ILE A 111 4.644 3.770 -2.510 1.00 0.69 H new ATOM 0 HD11 ILE A 111 2.450 5.612 -0.161 1.00 1.06 H new ATOM 0 HD12 ILE A 111 3.136 4.316 -1.169 1.00 1.06 H new ATOM 0 HD13 ILE A 111 4.110 5.040 0.132 1.00 1.06 H new ATOM 1798 N ARG A 112 7.855 4.098 -2.366 1.00 0.27 N ATOM 1799 CA ARG A 112 8.673 2.885 -2.447 1.00 0.24 C ATOM 1800 C ARG A 112 9.595 2.825 -1.235 1.00 0.22 C ATOM 1801 O ARG A 112 9.857 1.753 -0.684 1.00 0.22 O ATOM 1802 CB ARG A 112 9.487 2.842 -3.752 1.00 0.23 C ATOM 1803 CG ARG A 112 10.351 4.077 -3.981 1.00 0.23 C ATOM 1804 CD ARG A 112 11.217 3.955 -5.228 1.00 0.23 C ATOM 1805 NE ARG A 112 12.131 5.092 -5.381 1.00 0.79 N ATOM 1806 CZ ARG A 112 13.270 5.059 -6.085 1.00 0.82 C ATOM 1807 NH1 ARG A 112 13.678 3.943 -6.662 1.00 1.16 N ATOM 1808 NH2 ARG A 112 14.035 6.136 -6.157 1.00 1.39 N ATOM 0 H ARG A 112 8.023 4.773 -3.112 1.00 0.27 H new ATOM 0 HA ARG A 112 8.015 2.016 -2.450 1.00 0.24 H new ATOM 0 HB2 ARG A 112 10.127 1.960 -3.741 1.00 0.23 H new ATOM 0 HB3 ARG A 112 8.802 2.729 -4.592 1.00 0.23 H new ATOM 0 HG2 ARG A 112 9.710 4.954 -4.071 1.00 0.23 H new ATOM 0 HG3 ARG A 112 10.990 4.237 -3.112 1.00 0.23 H new ATOM 0 HD2 ARG A 112 11.794 3.031 -5.179 1.00 0.23 H new ATOM 0 HD3 ARG A 112 10.577 3.885 -6.107 1.00 0.23 H new ATOM 0 HE ARG A 112 11.882 5.967 -4.920 1.00 0.79 H new ATOM 0 HH11 ARG A 112 13.123 3.091 -6.575 1.00 1.16 H new ATOM 0 HH12 ARG A 112 14.548 3.933 -7.195 1.00 1.16 H new ATOM 0 HH21 ARG A 112 13.757 6.992 -5.676 1.00 1.39 H new ATOM 0 HH22 ARG A 112 14.902 6.111 -6.693 1.00 1.39 H new ATOM 1822 N ASP A 113 10.067 3.992 -0.806 1.00 0.23 N ATOM 1823 CA ASP A 113 10.896 4.077 0.382 1.00 0.24 C ATOM 1824 C ASP A 113 10.127 3.666 1.630 1.00 0.25 C ATOM 1825 O ASP A 113 10.589 2.832 2.405 1.00 0.26 O ATOM 1826 CB ASP A 113 11.425 5.491 0.575 1.00 0.28 C ATOM 1827 CG ASP A 113 12.150 5.645 1.901 1.00 0.39 C ATOM 1828 OD1 ASP A 113 13.179 4.972 2.101 1.00 0.58 O ATOM 1829 OD2 ASP A 113 11.681 6.414 2.761 1.00 0.43 O ATOM 0 H ASP A 113 9.888 4.886 -1.264 1.00 0.23 H new ATOM 0 HA ASP A 113 11.730 3.390 0.236 1.00 0.24 H new ATOM 0 HB2 ASP A 113 12.103 5.740 -0.241 1.00 0.28 H new ATOM 0 HB3 ASP A 113 10.597 6.198 0.529 1.00 0.28 H new ATOM 1834 N ALA A 114 8.944 4.235 1.809 1.00 0.26 N ATOM 1835 CA ALA A 114 8.140 3.965 2.992 1.00 0.28 C ATOM 1836 C ALA A 114 7.837 2.487 3.121 1.00 0.28 C ATOM 1837 O ALA A 114 7.974 1.908 4.197 1.00 0.32 O ATOM 1838 CB ALA A 114 6.848 4.760 2.962 1.00 0.35 C ATOM 0 H ALA A 114 8.519 4.887 1.150 1.00 0.26 H new ATOM 0 HA ALA A 114 8.721 4.275 3.861 1.00 0.28 H new ATOM 0 HB1 ALA A 114 6.265 4.541 3.857 1.00 0.35 H new ATOM 0 HB2 ALA A 114 7.077 5.825 2.930 1.00 0.35 H new ATOM 0 HB3 ALA A 114 6.273 4.486 2.078 1.00 0.35 H new ATOM 1844 N VAL A 115 7.446 1.867 2.017 1.00 0.27 N ATOM 1845 CA VAL A 115 7.089 0.465 2.057 1.00 0.29 C ATOM 1846 C VAL A 115 8.322 -0.425 2.207 1.00 0.30 C ATOM 1847 O VAL A 115 8.220 -1.494 2.784 1.00 0.35 O ATOM 1848 CB VAL A 115 6.257 0.027 0.838 1.00 0.34 C ATOM 1849 CG1 VAL A 115 5.042 0.927 0.692 1.00 0.37 C ATOM 1850 CG2 VAL A 115 7.096 0.026 -0.427 1.00 0.33 C ATOM 0 H VAL A 115 7.370 2.307 1.100 1.00 0.27 H new ATOM 0 HA VAL A 115 6.461 0.341 2.939 1.00 0.29 H new ATOM 0 HB VAL A 115 5.915 -0.995 0.999 1.00 0.34 H new ATOM 0 HG11 VAL A 115 4.457 0.612 -0.172 1.00 0.37 H new ATOM 0 HG12 VAL A 115 4.428 0.858 1.590 1.00 0.37 H new ATOM 0 HG13 VAL A 115 5.367 1.958 0.553 1.00 0.37 H new ATOM 0 HG21 VAL A 115 6.481 -0.288 -1.271 1.00 0.33 H new ATOM 0 HG22 VAL A 115 7.479 1.030 -0.610 1.00 0.33 H new ATOM 0 HG23 VAL A 115 7.931 -0.665 -0.309 1.00 0.33 H new ATOM 1860 N LYS A 116 9.496 0.009 1.722 1.00 0.29 N ATOM 1861 CA LYS A 116 10.706 -0.797 1.917 1.00 0.33 C ATOM 1862 C LYS A 116 11.184 -0.697 3.361 1.00 0.32 C ATOM 1863 O LYS A 116 11.892 -1.567 3.858 1.00 0.40 O ATOM 1864 CB LYS A 116 11.852 -0.401 0.977 1.00 0.44 C ATOM 1865 CG LYS A 116 12.492 0.947 1.233 1.00 0.50 C ATOM 1866 CD LYS A 116 13.750 1.051 0.396 1.00 0.70 C ATOM 1867 CE LYS A 116 14.636 2.208 0.786 1.00 0.97 C ATOM 1868 NZ LYS A 116 14.143 3.500 0.249 1.00 1.48 N ATOM 0 H LYS A 116 9.630 0.881 1.210 1.00 0.29 H new ATOM 0 HA LYS A 116 10.429 -1.824 1.680 1.00 0.33 H new ATOM 0 HB2 LYS A 116 12.626 -1.165 1.040 1.00 0.44 H new ATOM 0 HB3 LYS A 116 11.476 -0.413 -0.046 1.00 0.44 H new ATOM 0 HG2 LYS A 116 11.800 1.749 0.977 1.00 0.50 H new ATOM 0 HG3 LYS A 116 12.731 1.058 2.291 1.00 0.50 H new ATOM 0 HD2 LYS A 116 14.315 0.124 0.487 1.00 0.70 H new ATOM 0 HD3 LYS A 116 13.472 1.154 -0.653 1.00 0.70 H new ATOM 0 HE2 LYS A 116 14.695 2.267 1.873 1.00 0.97 H new ATOM 0 HE3 LYS A 116 15.647 2.028 0.421 1.00 0.97 H new ATOM 0 HZ1 LYS A 116 14.952 4.111 0.017 1.00 1.48 H new ATOM 0 HZ2 LYS A 116 13.582 3.328 -0.609 1.00 1.48 H new ATOM 0 HZ3 LYS A 116 13.549 3.969 0.963 1.00 1.48 H new ATOM 1882 N LYS A 117 10.806 0.387 4.019 1.00 0.28 N ATOM 1883 CA LYS A 117 11.125 0.581 5.424 1.00 0.31 C ATOM 1884 C LYS A 117 10.170 -0.230 6.297 1.00 0.33 C ATOM 1885 O LYS A 117 10.436 -0.475 7.474 1.00 0.46 O ATOM 1886 CB LYS A 117 11.034 2.066 5.765 1.00 0.39 C ATOM 1887 CG LYS A 117 12.027 2.928 4.995 1.00 0.55 C ATOM 1888 CD LYS A 117 13.369 3.013 5.703 1.00 1.00 C ATOM 1889 CE LYS A 117 14.336 3.938 4.972 1.00 1.77 C ATOM 1890 NZ LYS A 117 13.771 5.302 4.769 1.00 2.58 N ATOM 0 H LYS A 117 10.275 1.150 3.600 1.00 0.28 H new ATOM 0 HA LYS A 117 12.140 0.235 5.616 1.00 0.31 H new ATOM 0 HB2 LYS A 117 10.023 2.417 5.558 1.00 0.39 H new ATOM 0 HB3 LYS A 117 11.204 2.196 6.834 1.00 0.39 H new ATOM 0 HG2 LYS A 117 12.169 2.515 3.996 1.00 0.55 H new ATOM 0 HG3 LYS A 117 11.618 3.931 4.870 1.00 0.55 H new ATOM 0 HD2 LYS A 117 13.221 3.373 6.721 1.00 1.00 H new ATOM 0 HD3 LYS A 117 13.805 2.017 5.777 1.00 1.00 H new ATOM 0 HE2 LYS A 117 15.263 4.012 5.540 1.00 1.77 H new ATOM 0 HE3 LYS A 117 14.589 3.504 4.004 1.00 1.77 H new ATOM 0 HZ1 LYS A 117 13.630 5.472 3.753 1.00 2.58 H new ATOM 0 HZ2 LYS A 117 12.859 5.377 5.262 1.00 2.58 H new ATOM 0 HZ3 LYS A 117 14.430 6.011 5.150 1.00 2.58 H new ATOM 1904 N TYR A 118 9.060 -0.643 5.697 1.00 0.29 N ATOM 1905 CA TYR A 118 8.053 -1.453 6.377 1.00 0.37 C ATOM 1906 C TYR A 118 8.135 -2.912 5.957 1.00 0.39 C ATOM 1907 O TYR A 118 8.559 -3.769 6.731 1.00 0.50 O ATOM 1908 CB TYR A 118 6.660 -0.914 6.082 1.00 0.41 C ATOM 1909 CG TYR A 118 6.203 0.163 7.042 1.00 0.48 C ATOM 1910 CD1 TYR A 118 6.745 1.438 6.973 1.00 0.54 C ATOM 1911 CD2 TYR A 118 5.230 -0.083 8.003 1.00 0.63 C ATOM 1912 CE1 TYR A 118 6.335 2.435 7.832 1.00 0.63 C ATOM 1913 CE2 TYR A 118 4.814 0.911 8.869 1.00 0.71 C ATOM 1914 CZ TYR A 118 5.359 2.115 8.833 1.00 0.67 C ATOM 1915 OH TYR A 118 4.961 3.167 9.631 1.00 0.77 O ATOM 0 H TYR A 118 8.832 -0.427 4.727 1.00 0.29 H new ATOM 0 HA TYR A 118 8.249 -1.395 7.448 1.00 0.37 H new ATOM 0 HB2 TYR A 118 6.643 -0.514 5.068 1.00 0.41 H new ATOM 0 HB3 TYR A 118 5.948 -1.739 6.111 1.00 0.41 H new ATOM 0 HD1 TYR A 118 7.502 1.653 6.233 1.00 0.54 H new ATOM 0 HD2 TYR A 118 4.791 -1.067 8.075 1.00 0.63 H new ATOM 0 HE1 TYR A 118 6.739 3.433 7.753 1.00 0.63 H new ATOM 0 HE2 TYR A 118 4.033 0.701 9.585 1.00 0.71 H new ATOM 0 HH TYR A 118 4.296 2.853 10.279 1.00 0.77 H new ATOM 1925 N LEU A 119 7.708 -3.184 4.735 1.00 0.33 N ATOM 1926 CA LEU A 119 7.804 -4.518 4.164 1.00 0.36 C ATOM 1927 C LEU A 119 8.953 -4.542 3.168 1.00 0.39 C ATOM 1928 O LEU A 119 8.805 -4.142 2.012 1.00 0.40 O ATOM 1929 CB LEU A 119 6.484 -4.930 3.480 1.00 0.37 C ATOM 1930 CG LEU A 119 6.391 -6.405 3.044 1.00 0.59 C ATOM 1931 CD1 LEU A 119 6.941 -6.603 1.638 1.00 1.15 C ATOM 1932 CD2 LEU A 119 7.132 -7.305 4.029 1.00 1.37 C ATOM 0 H LEU A 119 7.288 -2.492 4.114 1.00 0.33 H new ATOM 0 HA LEU A 119 7.992 -5.236 4.962 1.00 0.36 H new ATOM 0 HB2 LEU A 119 5.661 -4.719 4.163 1.00 0.37 H new ATOM 0 HB3 LEU A 119 6.339 -4.301 2.602 1.00 0.37 H new ATOM 0 HG LEU A 119 5.337 -6.681 3.038 1.00 0.59 H new ATOM 0 HD11 LEU A 119 6.861 -7.654 1.361 1.00 1.15 H new ATOM 0 HD12 LEU A 119 6.369 -5.998 0.935 1.00 1.15 H new ATOM 0 HD13 LEU A 119 7.987 -6.299 1.611 1.00 1.15 H new ATOM 0 HD21 LEU A 119 7.054 -8.342 3.703 1.00 1.37 H new ATOM 0 HD22 LEU A 119 8.182 -7.015 4.068 1.00 1.37 H new ATOM 0 HD23 LEU A 119 6.690 -7.202 5.020 1.00 1.37 H new ATOM 1944 N PRO A 120 10.123 -4.984 3.613 1.00 0.48 N ATOM 1945 CA PRO A 120 11.306 -5.015 2.810 1.00 0.56 C ATOM 1946 C PRO A 120 11.604 -6.400 2.257 1.00 0.53 C ATOM 1947 O PRO A 120 11.160 -7.419 2.800 1.00 0.61 O ATOM 1948 CB PRO A 120 12.360 -4.562 3.816 1.00 0.68 C ATOM 1949 CG PRO A 120 11.842 -4.994 5.158 1.00 0.67 C ATOM 1950 CD PRO A 120 10.423 -5.467 4.950 1.00 0.55 C ATOM 0 HA PRO A 120 11.244 -4.396 1.915 1.00 0.56 H new ATOM 0 HB2 PRO A 120 13.327 -5.017 3.603 1.00 0.68 H new ATOM 0 HB3 PRO A 120 12.501 -3.482 3.778 1.00 0.68 H new ATOM 0 HG2 PRO A 120 12.458 -5.793 5.571 1.00 0.67 H new ATOM 0 HG3 PRO A 120 11.873 -4.168 5.868 1.00 0.67 H new ATOM 0 HD2 PRO A 120 10.343 -6.552 5.017 1.00 0.55 H new ATOM 0 HD3 PRO A 120 9.743 -5.051 5.694 1.00 0.55 H new ATOM 1958 N LEU A 121 12.364 -6.426 1.178 1.00 0.57 N ATOM 1959 CA LEU A 121 12.599 -7.660 0.436 1.00 0.49 C ATOM 1960 C LEU A 121 13.716 -7.474 -0.608 1.00 0.53 C ATOM 1961 O LEU A 121 14.317 -8.449 -1.059 1.00 0.56 O ATOM 1962 CB LEU A 121 11.276 -8.147 -0.212 1.00 0.50 C ATOM 1963 CG LEU A 121 10.732 -7.370 -1.430 1.00 0.69 C ATOM 1964 CD1 LEU A 121 9.236 -7.525 -1.539 1.00 1.11 C ATOM 1965 CD2 LEU A 121 11.068 -5.907 -1.388 1.00 1.31 C ATOM 0 H LEU A 121 12.832 -5.606 0.792 1.00 0.57 H new ATOM 0 HA LEU A 121 12.939 -8.430 1.128 1.00 0.49 H new ATOM 0 HB2 LEU A 121 11.415 -9.185 -0.514 1.00 0.50 H new ATOM 0 HB3 LEU A 121 10.505 -8.140 0.559 1.00 0.50 H new ATOM 0 HG LEU A 121 11.220 -7.802 -2.304 1.00 0.69 H new ATOM 0 HD11 LEU A 121 8.875 -6.969 -2.404 1.00 1.11 H new ATOM 0 HD12 LEU A 121 8.987 -8.580 -1.656 1.00 1.11 H new ATOM 0 HD13 LEU A 121 8.763 -7.138 -0.636 1.00 1.11 H new ATOM 0 HD21 LEU A 121 10.659 -5.414 -2.270 1.00 1.31 H new ATOM 0 HD22 LEU A 121 10.638 -5.461 -0.491 1.00 1.31 H new ATOM 0 HD23 LEU A 121 12.151 -5.783 -1.372 1.00 1.31 H new ATOM 1977 N LYS A 122 13.989 -6.212 -0.968 1.00 0.66 N ATOM 1978 CA LYS A 122 15.021 -5.865 -1.948 1.00 0.81 C ATOM 1979 C LYS A 122 15.150 -4.335 -2.071 1.00 0.91 C ATOM 1980 O LYS A 122 16.047 -3.741 -1.469 1.00 1.48 O ATOM 1981 CB LYS A 122 14.738 -6.527 -3.303 1.00 0.86 C ATOM 1982 CG LYS A 122 13.334 -6.298 -3.827 1.00 0.90 C ATOM 1983 CD LYS A 122 12.827 -7.469 -4.640 1.00 1.25 C ATOM 1984 CE LYS A 122 12.500 -8.643 -3.745 1.00 2.49 C ATOM 1985 NZ LYS A 122 11.759 -9.710 -4.471 1.00 3.48 N ATOM 0 H LYS A 122 13.498 -5.404 -0.586 1.00 0.66 H new ATOM 0 HA LYS A 122 15.978 -6.251 -1.598 1.00 0.81 H new ATOM 0 HB2 LYS A 122 15.453 -6.150 -4.035 1.00 0.86 H new ATOM 0 HB3 LYS A 122 14.909 -7.600 -3.213 1.00 0.86 H new ATOM 0 HG2 LYS A 122 12.660 -6.121 -2.989 1.00 0.90 H new ATOM 0 HG3 LYS A 122 13.320 -5.398 -4.442 1.00 0.90 H new ATOM 0 HD2 LYS A 122 11.939 -7.173 -5.198 1.00 1.25 H new ATOM 0 HD3 LYS A 122 13.580 -7.762 -5.372 1.00 1.25 H new ATOM 0 HE2 LYS A 122 13.423 -9.056 -3.338 1.00 2.49 H new ATOM 0 HE3 LYS A 122 11.904 -8.299 -2.900 1.00 2.49 H new ATOM 0 HZ1 LYS A 122 11.555 -10.495 -3.820 1.00 3.48 H new ATOM 0 HZ2 LYS A 122 10.866 -9.324 -4.838 1.00 3.48 H new ATOM 0 HZ3 LYS A 122 12.337 -10.057 -5.262 1.00 3.48 H new ATOM 1999 N SER A 123 14.236 -3.707 -2.823 1.00 0.88 N ATOM 2000 CA SER A 123 14.147 -2.249 -2.931 1.00 1.01 C ATOM 2001 C SER A 123 15.427 -1.647 -3.527 1.00 1.85 C ATOM 2002 O SER A 123 16.307 -2.378 -3.993 1.00 2.57 O ATOM 2003 CB SER A 123 13.857 -1.668 -1.547 1.00 0.45 C ATOM 2004 OG SER A 123 13.032 -2.550 -0.802 1.00 1.46 O ATOM 0 H SER A 123 13.535 -4.201 -3.375 1.00 0.88 H new ATOM 0 HA SER A 123 13.335 -1.992 -3.611 1.00 1.01 H new ATOM 0 HB2 SER A 123 14.792 -1.498 -1.014 1.00 0.45 H new ATOM 0 HB3 SER A 123 13.367 -0.700 -1.648 1.00 0.45 H new ATOM 0 HG SER A 123 12.097 -2.426 -1.067 1.00 1.46 H new ATOM 2010 N ASN A 124 15.525 -0.317 -3.544 1.00 2.28 N ATOM 2011 CA ASN A 124 16.754 0.350 -3.986 1.00 3.08 C ATOM 2012 C ASN A 124 17.884 0.118 -2.986 1.00 2.75 C ATOM 2013 O ASN A 124 19.048 0.406 -3.269 1.00 3.08 O ATOM 2014 CB ASN A 124 16.537 1.856 -4.215 1.00 3.98 C ATOM 2015 CG ASN A 124 16.077 2.626 -2.983 1.00 4.66 C ATOM 2016 OD1 ASN A 124 16.359 2.259 -1.840 1.00 4.91 O ATOM 2017 ND2 ASN A 124 15.359 3.714 -3.213 1.00 5.31 N ATOM 0 H ASN A 124 14.777 0.316 -3.260 1.00 2.28 H new ATOM 0 HA ASN A 124 17.037 -0.090 -4.942 1.00 3.08 H new ATOM 0 HB2 ASN A 124 17.469 2.293 -4.574 1.00 3.98 H new ATOM 0 HB3 ASN A 124 15.798 1.987 -5.006 1.00 3.98 H new ATOM 0 HD21 ASN A 124 15.021 4.277 -2.432 1.00 5.31 H new ATOM 0 HD22 ASN A 124 15.143 3.990 -4.171 1.00 5.31 H new ATOM 2024 N LEU A 125 17.511 -0.393 -1.815 1.00 2.71 N ATOM 2025 CA LEU A 125 18.461 -0.794 -0.785 1.00 2.92 C ATOM 2026 C LEU A 125 19.265 0.397 -0.259 1.00 3.81 C ATOM 2027 O LEU A 125 20.484 0.323 -0.102 1.00 4.44 O ATOM 2028 CB LEU A 125 19.386 -1.895 -1.323 1.00 3.28 C ATOM 2029 CG LEU A 125 20.284 -2.577 -0.286 1.00 3.91 C ATOM 2030 CD1 LEU A 125 19.449 -3.171 0.839 1.00 3.88 C ATOM 2031 CD2 LEU A 125 21.127 -3.656 -0.947 1.00 4.47 C ATOM 0 H LEU A 125 16.536 -0.541 -1.554 1.00 2.71 H new ATOM 0 HA LEU A 125 17.898 -1.192 0.059 1.00 2.92 H new ATOM 0 HB2 LEU A 125 18.772 -2.658 -1.802 1.00 3.28 H new ATOM 0 HB3 LEU A 125 20.020 -1.464 -2.098 1.00 3.28 H new ATOM 0 HG LEU A 125 20.949 -1.826 0.141 1.00 3.91 H new ATOM 0 HD11 LEU A 125 20.105 -3.651 1.565 1.00 3.88 H new ATOM 0 HD12 LEU A 125 18.883 -2.379 1.329 1.00 3.88 H new ATOM 0 HD13 LEU A 125 18.760 -3.909 0.430 1.00 3.88 H new ATOM 0 HD21 LEU A 125 21.760 -4.132 -0.199 1.00 4.47 H new ATOM 0 HD22 LEU A 125 20.474 -4.403 -1.398 1.00 4.47 H new ATOM 0 HD23 LEU A 125 21.752 -3.207 -1.719 1.00 4.47 H new ATOM 2043 N GLU A 126 18.577 1.505 -0.006 1.00 4.28 N ATOM 2044 CA GLU A 126 19.177 2.614 0.723 1.00 5.31 C ATOM 2045 C GLU A 126 19.576 2.131 2.116 1.00 5.99 C ATOM 2046 O GLU A 126 18.715 1.816 2.940 1.00 6.61 O ATOM 2047 CB GLU A 126 18.195 3.788 0.815 1.00 5.89 C ATOM 2048 CG GLU A 126 18.698 4.950 1.658 1.00 6.05 C ATOM 2049 CD GLU A 126 20.048 5.464 1.203 1.00 6.47 C ATOM 2050 OE1 GLU A 126 21.075 4.863 1.571 1.00 6.75 O ATOM 2051 OE2 GLU A 126 20.086 6.476 0.473 1.00 6.82 O ATOM 0 H GLU A 126 17.610 1.658 -0.293 1.00 4.28 H new ATOM 0 HA GLU A 126 20.064 2.964 0.194 1.00 5.31 H new ATOM 0 HB2 GLU A 126 17.980 4.148 -0.191 1.00 5.89 H new ATOM 0 HB3 GLU A 126 17.254 3.430 1.233 1.00 5.89 H new ATOM 0 HG2 GLU A 126 17.973 5.763 1.618 1.00 6.05 H new ATOM 0 HG3 GLU A 126 18.766 4.635 2.699 1.00 6.05 H new ATOM 2058 N HIS A 127 20.878 2.069 2.369 1.00 6.21 N ATOM 2059 CA HIS A 127 21.384 1.433 3.579 1.00 7.10 C ATOM 2060 C HIS A 127 21.233 2.335 4.802 1.00 7.49 C ATOM 2061 O HIS A 127 22.103 3.145 5.124 1.00 7.83 O ATOM 2062 CB HIS A 127 22.844 0.959 3.404 1.00 7.63 C ATOM 2063 CG HIS A 127 23.868 2.045 3.215 1.00 7.94 C ATOM 2064 ND1 HIS A 127 24.957 2.195 4.049 1.00 8.28 N ATOM 2065 CD2 HIS A 127 23.982 3.014 2.274 1.00 8.27 C ATOM 2066 CE1 HIS A 127 25.693 3.208 3.632 1.00 8.76 C ATOM 2067 NE2 HIS A 127 25.123 3.720 2.557 1.00 8.77 N ATOM 0 H HIS A 127 21.599 2.449 1.756 1.00 6.21 H new ATOM 0 HA HIS A 127 20.771 0.549 3.754 1.00 7.10 H new ATOM 0 HB2 HIS A 127 23.123 0.372 4.279 1.00 7.63 H new ATOM 0 HB3 HIS A 127 22.888 0.291 2.544 1.00 7.63 H new ATOM 0 HD2 HIS A 127 23.302 3.196 1.455 1.00 8.27 H new ATOM 0 HE1 HIS A 127 26.605 3.558 4.092 1.00 8.76 H new ATOM 0 HE2 HIS A 127 25.475 4.514 2.022 1.00 8.77 H new ATOM 2076 N HIS A 128 20.087 2.219 5.447 1.00 7.74 N ATOM 2077 CA HIS A 128 19.856 2.862 6.729 1.00 8.41 C ATOM 2078 C HIS A 128 19.559 1.791 7.770 1.00 9.21 C ATOM 2079 O HIS A 128 20.484 1.122 8.238 1.00 9.70 O ATOM 2080 CB HIS A 128 18.725 3.898 6.645 1.00 8.47 C ATOM 2081 CG HIS A 128 19.130 5.187 5.981 1.00 8.68 C ATOM 2082 ND1 HIS A 128 18.667 6.424 6.379 1.00 9.02 N ATOM 2083 CD2 HIS A 128 19.964 5.426 4.939 1.00 8.89 C ATOM 2084 CE1 HIS A 128 19.198 7.360 5.614 1.00 9.40 C ATOM 2085 NE2 HIS A 128 19.990 6.782 4.733 1.00 9.33 N ATOM 0 H HIS A 128 19.294 1.680 5.100 1.00 7.74 H new ATOM 0 HA HIS A 128 20.752 3.409 7.023 1.00 8.41 H new ATOM 0 HB2 HIS A 128 17.888 3.465 6.097 1.00 8.47 H new ATOM 0 HB3 HIS A 128 18.368 4.115 7.652 1.00 8.47 H new ATOM 0 HD2 HIS A 128 20.509 4.684 4.374 1.00 8.89 H new ATOM 0 HE1 HIS A 128 19.014 8.421 5.696 1.00 9.40 H new ATOM 0 HE2 HIS A 128 20.533 7.264 4.016 1.00 9.33 H new ATOM 2094 N HIS A 129 18.279 1.592 8.102 1.00 9.53 N ATOM 2095 CA HIS A 129 17.879 0.500 8.990 1.00 10.45 C ATOM 2096 C HIS A 129 16.375 0.520 9.242 1.00 11.28 C ATOM 2097 O HIS A 129 15.788 1.577 9.466 1.00 11.64 O ATOM 2098 CB HIS A 129 18.616 0.584 10.336 1.00 10.64 C ATOM 2099 CG HIS A 129 18.475 -0.647 11.180 1.00 10.93 C ATOM 2100 ND1 HIS A 129 19.199 -1.796 10.955 1.00 11.11 N ATOM 2101 CD2 HIS A 129 17.677 -0.913 12.241 1.00 11.31 C ATOM 2102 CE1 HIS A 129 18.851 -2.713 11.835 1.00 11.56 C ATOM 2103 NE2 HIS A 129 17.929 -2.205 12.628 1.00 11.69 N ATOM 0 H HIS A 129 17.507 2.171 7.770 1.00 9.53 H new ATOM 0 HA HIS A 129 18.146 -0.432 8.493 1.00 10.45 H new ATOM 0 HB2 HIS A 129 19.674 0.766 10.150 1.00 10.64 H new ATOM 0 HB3 HIS A 129 18.238 1.441 10.894 1.00 10.64 H new ATOM 0 HD2 HIS A 129 16.973 -0.234 12.698 1.00 11.31 H new ATOM 0 HE1 HIS A 129 19.254 -3.713 11.896 1.00 11.56 H new ATOM 0 HE2 HIS A 129 17.477 -2.692 13.402 1.00 11.69 H new ATOM 2112 N HIS A 130 15.757 -0.653 9.183 1.00 11.74 N ATOM 2113 CA HIS A 130 14.382 -0.822 9.644 1.00 12.72 C ATOM 2114 C HIS A 130 14.360 -0.679 11.162 1.00 13.52 C ATOM 2115 O HIS A 130 14.606 -1.635 11.895 1.00 14.05 O ATOM 2116 CB HIS A 130 13.837 -2.191 9.200 1.00 13.16 C ATOM 2117 CG HIS A 130 12.526 -2.585 9.822 1.00 14.01 C ATOM 2118 ND1 HIS A 130 11.309 -2.075 9.428 1.00 14.69 N ATOM 2119 CD2 HIS A 130 12.255 -3.464 10.816 1.00 14.45 C ATOM 2120 CE1 HIS A 130 10.350 -2.621 10.153 1.00 15.46 C ATOM 2121 NE2 HIS A 130 10.897 -3.470 11.003 1.00 15.34 N ATOM 0 H HIS A 130 16.186 -1.504 8.820 1.00 11.74 H new ATOM 0 HA HIS A 130 13.739 -0.059 9.205 1.00 12.72 H new ATOM 0 HB2 HIS A 130 13.720 -2.185 8.116 1.00 13.16 H new ATOM 0 HB3 HIS A 130 14.578 -2.954 9.436 1.00 13.16 H new ATOM 0 HD1 HIS A 130 11.170 -1.383 8.691 1.00 14.69 H new ATOM 0 HD2 HIS A 130 12.977 -4.053 11.362 1.00 14.45 H new ATOM 0 HE1 HIS A 130 9.295 -2.409 10.065 1.00 15.46 H new ATOM 2130 N HIS A 131 14.109 0.534 11.623 1.00 13.72 N ATOM 2131 CA HIS A 131 14.246 0.856 13.036 1.00 14.59 C ATOM 2132 C HIS A 131 12.908 1.211 13.654 1.00 15.07 C ATOM 2133 O HIS A 131 11.929 1.453 12.949 1.00 15.27 O ATOM 2134 CB HIS A 131 15.217 2.031 13.226 1.00 15.06 C ATOM 2135 CG HIS A 131 14.743 3.330 12.628 1.00 15.47 C ATOM 2136 ND1 HIS A 131 13.876 4.192 13.271 1.00 15.96 N ATOM 2137 CD2 HIS A 131 15.020 3.908 11.434 1.00 15.61 C ATOM 2138 CE1 HIS A 131 13.644 5.236 12.500 1.00 16.33 C ATOM 2139 NE2 HIS A 131 14.324 5.089 11.380 1.00 16.15 N ATOM 0 H HIS A 131 13.809 1.315 11.039 1.00 13.72 H new ATOM 0 HA HIS A 131 14.638 -0.030 13.536 1.00 14.59 H new ATOM 0 HB2 HIS A 131 15.388 2.177 14.293 1.00 15.06 H new ATOM 0 HB3 HIS A 131 16.177 1.769 12.782 1.00 15.06 H new ATOM 0 HD1 HIS A 131 13.477 4.044 14.198 1.00 15.96 H new ATOM 0 HD2 HIS A 131 15.669 3.512 10.667 1.00 15.61 H new ATOM 0 HE1 HIS A 131 13.004 6.071 12.745 1.00 16.33 H new ATOM 2148 N HIS A 132 12.878 1.234 14.974 1.00 15.42 N ATOM 2149 CA HIS A 132 11.744 1.779 15.695 1.00 16.00 C ATOM 2150 C HIS A 132 12.132 3.148 16.225 1.00 16.33 C ATOM 2151 O HIS A 132 12.361 3.276 17.445 1.00 16.74 O ATOM 2152 CB HIS A 132 11.325 0.862 16.848 1.00 16.60 C ATOM 2153 CG HIS A 132 10.989 -0.533 16.421 1.00 16.62 C ATOM 2154 ND1 HIS A 132 9.907 -0.839 15.626 1.00 17.09 N ATOM 2155 CD2 HIS A 132 11.606 -1.709 16.678 1.00 16.39 C ATOM 2156 CE1 HIS A 132 9.872 -2.140 15.414 1.00 17.15 C ATOM 2157 NE2 HIS A 132 10.893 -2.692 16.041 1.00 16.73 N ATOM 2158 OXT HIS A 132 12.274 4.077 15.407 1.00 16.29 O ATOM 0 H HIS A 132 13.628 0.881 15.569 1.00 15.42 H new ATOM 0 HA HIS A 132 10.892 1.860 15.020 1.00 16.00 H new ATOM 0 HB2 HIS A 132 12.132 0.823 17.580 1.00 16.60 H new ATOM 0 HB3 HIS A 132 10.460 1.297 17.349 1.00 16.60 H new ATOM 0 HD2 HIS A 132 12.496 -1.848 17.274 1.00 16.39 H new ATOM 0 HE1 HIS A 132 9.133 -2.665 14.827 1.00 17.15 H new ATOM 0 HE2 HIS A 132 11.116 -3.687 16.050 1.00 16.73 H new TER 2167 HIS A 132