USER MOD reduce.3.24.130724 H: found=0, std=0, add=772, rem=0, adj=29 USER MOD reduce.3.24.130724 removed 773 hydrogens (6 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 100 MET CE :methyl 166:sc= -0.602 (180deg=-1.07) USER MOD Set 1.2: A 169 HC4 O4' : rot 90:sc= 0.0635 USER MOD Set 2.1: A 87 ASN : amide:sc= -3.08! C(o=-3.3!,f=-10!) USER MOD Set 2.2: A 111 LYS NZ :NH3+ -169:sc= 0.986 (180deg=0.0128) USER MOD Set 2.3: A 118 TYR OH : rot -15:sc= -1.24 USER MOD Set 3.1: A 72 SER OG : rot -69:sc= 0.544 USER MOD Set 3.2: A 94 TYR OH : rot 2:sc= 1.26 USER MOD Single : A 32 GLN : amide:sc= -0.226 K(o=-0.23,f=-0.82) USER MOD Single : A 38 ASN : amide:sc=-0.00875 K(o=-0.0088,f=-2!) USER MOD Single : A 41 GLN : amide:sc= 0.0279 K(o=0.028,f=-0.98) USER MOD Single : A 42 TYR OH : rot 109:sc= 0.0426 USER MOD Single : A 43 ASN : amide:sc= 0.15 K(o=0.15,f=-3.3!) USER MOD Single : A 50 THR OG1 : rot -147:sc= 0.606 USER MOD Single : A 55 LYS NZ :NH3+ -173:sc=-0.000773 (180deg=-0.0508) USER MOD Single : A 56 GLN : amide:sc= -0.55 X(o=-0.55,f=-0.27) USER MOD Single : A 60 LYS NZ :NH3+ -138:sc= -0.121 (180deg=-0.542) USER MOD Single : A 61 ASN : amide:sc= 0.0836 K(o=0.084,f=-7.6!) USER MOD Single : A 64 LYS NZ :NH3+ -173:sc= 1.25 (180deg=1.01) USER MOD Single : A 70 THR OG1 : rot -84:sc= -1.34! USER MOD Single : A 76 TYR OH : rot -153:sc= 0.754 USER MOD Single : A 78 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 80 LYS NZ :NH3+ -130:sc= 1.02 (180deg=-0.0286) USER MOD Single : A 85 SER OG : rot 180:sc= 0 USER MOD Single : A 89 ASN : amide:sc= -0.349 K(o=-0.35,f=-2.5!) USER MOD Single : A 90 THR OG1 : rot 50:sc= 0.466 USER MOD Single : A 91 MET CE :methyl -159:sc= -0.127 (180deg=-0.586) USER MOD Single : A 95 THR OG1 : rot 180:sc= 0.0395 USER MOD Single : A 98 TYR OH : rot 180:sc= 0 USER MOD Single : A 99 GLN :FLIP amide:sc= -0.364 F(o=-0.91,f=-0.36) USER MOD Single : A 101 THR OG1 : rot 180:sc= 0.0929 USER MOD Single : A 103 THR OG1 : rot 180:sc= -0.83 USER MOD Single : A 104 LYS NZ :NH3+ -178:sc= 0.531 (180deg=0.466) USER MOD Single : A 106 LYS NZ :NH3+ -178:sc= 1.07 (180deg=0.921) USER MOD Single : A 108 HIS :FLIP no HE2:sc= -0.658 F(o=-3!,f=-0.66) USER MOD Single : A 109 MET CE :methyl -177:sc= -0.976 (180deg=-1.07) USER MOD Single : A 110 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 114 SER OG : rot 180:sc= 0.0857 USER MOD Single : A 117 SER OG : rot -36:sc= 0.282 USER MOD Single : A 123 LYS NZ :NH3+ -167:sc= -0.074 (180deg=-0.349) USER MOD ----------------------------------------------------------------- ATOM 1 N LEU A 26 -10.343 -5.847 13.703 1.00 2.56 N ATOM 2 CA LEU A 26 -9.383 -6.412 12.736 1.00 1.97 C ATOM 3 C LEU A 26 -7.978 -5.943 13.095 1.00 1.87 C ATOM 4 O LEU A 26 -7.790 -4.795 13.505 1.00 2.52 O ATOM 5 CB LEU A 26 -9.746 -5.952 11.317 1.00 2.20 C ATOM 6 CG LEU A 26 -9.604 -6.986 10.214 1.00 2.82 C ATOM 7 CD1 LEU A 26 -8.187 -7.526 10.132 1.00 3.22 C ATOM 8 CD2 LEU A 26 -10.600 -8.118 10.401 1.00 3.34 C ATOM 0 HA LEU A 26 -9.421 -7.501 12.772 1.00 1.97 H new ATOM 0 HB2 LEU A 26 -10.778 -5.601 11.325 1.00 2.20 H new ATOM 0 HB3 LEU A 26 -9.120 -5.096 11.065 1.00 2.20 H new ATOM 0 HG LEU A 26 -9.823 -6.488 9.270 1.00 2.82 H new ATOM 0 HD11 LEU A 26 -8.124 -8.263 9.332 1.00 3.22 H new ATOM 0 HD12 LEU A 26 -7.497 -6.708 9.926 1.00 3.22 H new ATOM 0 HD13 LEU A 26 -7.921 -7.995 11.079 1.00 3.22 H new ATOM 0 HD21 LEU A 26 -10.479 -8.846 9.599 1.00 3.34 H new ATOM 0 HD22 LEU A 26 -10.423 -8.603 11.361 1.00 3.34 H new ATOM 0 HD23 LEU A 26 -11.614 -7.718 10.378 1.00 3.34 H new ATOM 20 N ALA A 27 -7.000 -6.829 12.953 1.00 1.72 N ATOM 21 CA ALA A 27 -5.614 -6.523 13.297 1.00 2.23 C ATOM 22 C ALA A 27 -4.943 -5.627 12.249 1.00 2.04 C ATOM 23 O ALA A 27 -3.935 -6.010 11.646 1.00 2.86 O ATOM 24 CB ALA A 27 -4.827 -7.814 13.476 1.00 2.90 C ATOM 0 H ALA A 27 -7.142 -7.775 12.598 1.00 1.72 H new ATOM 0 HA ALA A 27 -5.620 -5.969 14.236 1.00 2.23 H new ATOM 0 HB1 ALA A 27 -3.794 -7.578 13.732 1.00 2.90 H new ATOM 0 HB2 ALA A 27 -5.274 -8.404 14.276 1.00 2.90 H new ATOM 0 HB3 ALA A 27 -4.849 -8.385 12.548 1.00 2.90 H new ATOM 30 N PHE A 28 -5.522 -4.441 12.041 1.00 1.27 N ATOM 31 CA PHE A 28 -4.973 -3.420 11.141 1.00 1.21 C ATOM 32 C PHE A 28 -4.958 -3.861 9.678 1.00 0.94 C ATOM 33 O PHE A 28 -5.180 -5.029 9.350 1.00 0.94 O ATOM 34 CB PHE A 28 -3.560 -3.009 11.569 1.00 1.52 C ATOM 35 CG PHE A 28 -3.525 -2.151 12.801 1.00 1.96 C ATOM 36 CD1 PHE A 28 -3.654 -0.774 12.702 1.00 2.75 C ATOM 37 CD2 PHE A 28 -3.361 -2.717 14.055 1.00 2.12 C ATOM 38 CE1 PHE A 28 -3.616 0.021 13.831 1.00 3.75 C ATOM 39 CE2 PHE A 28 -3.324 -1.926 15.185 1.00 2.99 C ATOM 40 CZ PHE A 28 -3.452 -0.557 15.073 1.00 3.85 C ATOM 0 H PHE A 28 -6.391 -4.159 12.495 1.00 1.27 H new ATOM 0 HA PHE A 28 -5.641 -2.562 11.219 1.00 1.21 H new ATOM 0 HB2 PHE A 28 -2.969 -3.907 11.746 1.00 1.52 H new ATOM 0 HB3 PHE A 28 -3.084 -2.471 10.749 1.00 1.52 H new ATOM 0 HD1 PHE A 28 -3.786 -0.318 11.732 1.00 2.75 H new ATOM 0 HD2 PHE A 28 -3.261 -3.788 14.149 1.00 2.12 H new ATOM 0 HE1 PHE A 28 -3.714 1.093 13.742 1.00 3.75 H new ATOM 0 HE2 PHE A 28 -3.195 -2.379 16.157 1.00 2.99 H new ATOM 0 HZ PHE A 28 -3.424 0.062 15.957 1.00 3.85 H new ATOM 50 N GLY A 29 -4.709 -2.903 8.802 1.00 0.85 N ATOM 51 CA GLY A 29 -4.577 -3.191 7.393 1.00 0.73 C ATOM 52 C GLY A 29 -3.129 -3.160 6.970 1.00 0.63 C ATOM 53 O GLY A 29 -2.519 -2.092 6.899 1.00 0.69 O ATOM 0 H GLY A 29 -4.595 -1.919 9.047 1.00 0.85 H new ATOM 0 HA2 GLY A 29 -5.002 -4.171 7.177 1.00 0.73 H new ATOM 0 HA3 GLY A 29 -5.145 -2.462 6.814 1.00 0.73 H new ATOM 57 N ALA A 30 -2.572 -4.333 6.708 1.00 0.66 N ATOM 58 CA ALA A 30 -1.165 -4.448 6.364 1.00 0.59 C ATOM 59 C ALA A 30 -0.993 -5.119 5.011 1.00 0.56 C ATOM 60 O ALA A 30 -1.568 -6.179 4.754 1.00 0.65 O ATOM 61 CB ALA A 30 -0.424 -5.230 7.438 1.00 0.71 C ATOM 0 H ALA A 30 -3.075 -5.220 6.727 1.00 0.66 H new ATOM 0 HA ALA A 30 -0.744 -3.445 6.304 1.00 0.59 H new ATOM 0 HB1 ALA A 30 0.629 -5.309 7.169 1.00 0.71 H new ATOM 0 HB2 ALA A 30 -0.516 -4.713 8.393 1.00 0.71 H new ATOM 0 HB3 ALA A 30 -0.853 -6.228 7.522 1.00 0.71 H new ATOM 67 N ILE A 31 -0.222 -4.485 4.146 1.00 0.49 N ATOM 68 CA ILE A 31 0.091 -5.038 2.843 1.00 0.53 C ATOM 69 C ILE A 31 1.604 -5.161 2.700 1.00 0.43 C ATOM 70 O ILE A 31 2.346 -4.297 3.165 1.00 0.49 O ATOM 71 CB ILE A 31 -0.385 -4.276 1.858 1.00 0.62 C ATOM 72 CG1 ILE A 31 -1.885 -4.014 2.037 1.00 0.82 C ATOM 73 CG2 ILE A 31 -0.119 -4.915 0.494 1.00 1.08 C ATOM 74 CD1 ILE A 31 -2.460 -3.045 1.025 1.00 0.96 C ATOM 0 H ILE A 31 0.203 -3.576 4.327 1.00 0.49 H new ATOM 0 HA ILE A 31 -0.380 -6.018 2.769 1.00 0.53 H new ATOM 0 HB ILE A 31 0.137 -3.320 1.900 1.00 0.62 H new ATOM 0 HG12 ILE A 31 -2.421 -4.960 1.965 1.00 0.82 H new ATOM 0 HG13 ILE A 31 -2.059 -3.624 3.040 1.00 0.82 H new ATOM 0 HG21 ILE A 31 -0.517 -4.274 -0.292 1.00 1.08 H new ATOM 0 HG22 ILE A 31 0.955 -5.038 0.353 1.00 1.08 H new ATOM 0 HG23 ILE A 31 -0.605 -5.890 0.448 1.00 1.08 H new ATOM 0 HD11 ILE A 31 -3.525 -2.910 1.215 1.00 0.96 H new ATOM 0 HD12 ILE A 31 -1.951 -2.085 1.111 1.00 0.96 H new ATOM 0 HD13 ILE A 31 -2.318 -3.442 0.020 1.00 0.96 H new ATOM 86 N GLN A 32 2.067 -6.254 2.126 1.00 0.39 N ATOM 87 CA GLN A 32 3.484 -6.402 1.858 1.00 0.34 C ATOM 88 C GLN A 32 3.735 -6.200 0.375 1.00 0.33 C ATOM 89 O GLN A 32 3.170 -6.907 -0.462 1.00 0.36 O ATOM 90 CB GLN A 32 3.990 -7.772 2.315 1.00 0.37 C ATOM 91 CG GLN A 32 5.495 -7.934 2.197 1.00 0.53 C ATOM 92 CD GLN A 32 5.987 -9.250 2.763 1.00 0.58 C ATOM 93 OE1 GLN A 32 5.281 -10.256 2.731 1.00 0.68 O ATOM 94 NE2 GLN A 32 7.197 -9.246 3.300 1.00 0.86 N ATOM 0 H GLN A 32 1.490 -7.045 1.839 1.00 0.39 H new ATOM 0 HA GLN A 32 4.034 -5.648 2.422 1.00 0.34 H new ATOM 0 HB2 GLN A 32 3.696 -7.931 3.352 1.00 0.37 H new ATOM 0 HB3 GLN A 32 3.502 -8.546 1.723 1.00 0.37 H new ATOM 0 HG2 GLN A 32 5.783 -7.864 1.148 1.00 0.53 H new ATOM 0 HG3 GLN A 32 5.987 -7.112 2.718 1.00 0.53 H new ATOM 0 HE21 GLN A 32 7.750 -8.389 3.305 1.00 0.86 H new ATOM 0 HE22 GLN A 32 7.577 -10.100 3.708 1.00 0.86 H new ATOM 103 N LEU A 33 4.566 -5.221 0.057 1.00 0.38 N ATOM 104 CA LEU A 33 4.836 -4.870 -1.325 1.00 0.41 C ATOM 105 C LEU A 33 6.322 -4.626 -1.515 1.00 0.33 C ATOM 106 O LEU A 33 7.007 -4.258 -0.575 1.00 0.36 O ATOM 107 CB LEU A 33 4.040 -3.630 -1.771 1.00 0.56 C ATOM 108 CG LEU A 33 4.524 -2.264 -1.255 1.00 0.91 C ATOM 109 CD1 LEU A 33 3.692 -1.154 -1.874 1.00 1.24 C ATOM 110 CD2 LEU A 33 4.457 -2.170 0.262 1.00 1.62 C ATOM 0 H LEU A 33 5.066 -4.654 0.741 1.00 0.38 H new ATOM 0 HA LEU A 33 4.517 -5.707 -1.946 1.00 0.41 H new ATOM 0 HB2 LEU A 33 4.042 -3.600 -2.861 1.00 0.56 H new ATOM 0 HB3 LEU A 33 3.004 -3.762 -1.458 1.00 0.56 H new ATOM 0 HG LEU A 33 5.568 -2.154 -1.548 1.00 0.91 H new ATOM 0 HD11 LEU A 33 4.040 -0.189 -1.504 1.00 1.24 H new ATOM 0 HD12 LEU A 33 3.793 -1.185 -2.959 1.00 1.24 H new ATOM 0 HD13 LEU A 33 2.645 -1.290 -1.603 1.00 1.24 H new ATOM 0 HD21 LEU A 33 4.808 -1.189 0.582 1.00 1.62 H new ATOM 0 HD22 LEU A 33 3.427 -2.312 0.590 1.00 1.62 H new ATOM 0 HD23 LEU A 33 5.088 -2.942 0.703 1.00 1.62 H new ATOM 122 N ASP A 34 6.819 -4.820 -2.719 1.00 0.33 N ATOM 123 CA ASP A 34 8.237 -4.611 -2.985 1.00 0.34 C ATOM 124 C ASP A 34 8.457 -3.298 -3.726 1.00 0.40 C ATOM 125 O ASP A 34 7.500 -2.653 -4.148 1.00 0.43 O ATOM 126 CB ASP A 34 8.863 -5.788 -3.742 1.00 0.38 C ATOM 127 CG ASP A 34 8.309 -5.988 -5.138 1.00 0.51 C ATOM 128 OD1 ASP A 34 8.361 -5.040 -5.951 1.00 0.89 O ATOM 129 OD2 ASP A 34 7.872 -7.112 -5.444 1.00 1.22 O ATOM 0 H ASP A 34 6.272 -5.120 -3.526 1.00 0.33 H new ATOM 0 HA ASP A 34 8.744 -4.551 -2.022 1.00 0.34 H new ATOM 0 HB2 ASP A 34 9.940 -5.632 -3.808 1.00 0.38 H new ATOM 0 HB3 ASP A 34 8.708 -6.701 -3.166 1.00 0.38 H new ATOM 134 N GLY A 35 9.723 -2.896 -3.834 1.00 0.47 N ATOM 135 CA GLY A 35 10.093 -1.591 -4.372 1.00 0.57 C ATOM 136 C GLY A 35 9.482 -1.247 -5.724 1.00 0.64 C ATOM 137 O GLY A 35 9.387 -0.069 -6.073 1.00 0.79 O ATOM 0 H GLY A 35 10.519 -3.467 -3.551 1.00 0.47 H new ATOM 0 HA2 GLY A 35 9.801 -0.824 -3.654 1.00 0.57 H new ATOM 0 HA3 GLY A 35 11.179 -1.548 -4.461 1.00 0.57 H new ATOM 141 N ASP A 36 9.079 -2.250 -6.493 1.00 0.58 N ATOM 142 CA ASP A 36 8.469 -2.002 -7.796 1.00 0.66 C ATOM 143 C ASP A 36 6.997 -1.653 -7.641 1.00 0.61 C ATOM 144 O ASP A 36 6.401 -1.007 -8.507 1.00 0.78 O ATOM 145 CB ASP A 36 8.622 -3.214 -8.717 1.00 0.69 C ATOM 146 CG ASP A 36 9.893 -3.165 -9.536 1.00 1.21 C ATOM 147 OD1 ASP A 36 9.993 -2.307 -10.438 1.00 1.95 O ATOM 148 OD2 ASP A 36 10.800 -3.985 -9.281 1.00 1.56 O ATOM 0 H ASP A 36 9.162 -3.235 -6.242 1.00 0.58 H new ATOM 0 HA ASP A 36 8.988 -1.157 -8.249 1.00 0.66 H new ATOM 0 HB2 ASP A 36 8.615 -4.124 -8.118 1.00 0.69 H new ATOM 0 HB3 ASP A 36 7.764 -3.267 -9.387 1.00 0.69 H new ATOM 153 N GLY A 37 6.431 -2.058 -6.520 1.00 0.51 N ATOM 154 CA GLY A 37 5.020 -1.872 -6.287 1.00 0.53 C ATOM 155 C GLY A 37 4.282 -3.187 -6.345 1.00 0.47 C ATOM 156 O GLY A 37 3.054 -3.226 -6.237 1.00 0.53 O ATOM 0 H GLY A 37 6.931 -2.518 -5.759 1.00 0.51 H new ATOM 0 HA2 GLY A 37 4.867 -1.408 -5.312 1.00 0.53 H new ATOM 0 HA3 GLY A 37 4.612 -1.189 -7.032 1.00 0.53 H new ATOM 160 N ASN A 38 5.036 -4.270 -6.511 1.00 0.40 N ATOM 161 CA ASN A 38 4.451 -5.598 -6.617 1.00 0.39 C ATOM 162 C ASN A 38 3.884 -6.041 -5.285 1.00 0.34 C ATOM 163 O ASN A 38 4.517 -5.880 -4.239 1.00 0.40 O ATOM 164 CB ASN A 38 5.482 -6.618 -7.097 1.00 0.44 C ATOM 165 CG ASN A 38 5.849 -6.430 -8.557 1.00 0.70 C ATOM 166 OD1 ASN A 38 6.765 -5.682 -8.895 1.00 1.30 O ATOM 167 ND2 ASN A 38 5.136 -7.112 -9.438 1.00 1.24 N ATOM 0 H ASN A 38 6.054 -4.251 -6.575 1.00 0.40 H new ATOM 0 HA ASN A 38 3.645 -5.543 -7.349 1.00 0.39 H new ATOM 0 HB2 ASN A 38 6.381 -6.536 -6.486 1.00 0.44 H new ATOM 0 HB3 ASN A 38 5.088 -7.624 -6.951 1.00 0.44 H new ATOM 0 HD21 ASN A 38 5.339 -7.027 -10.434 1.00 1.24 H new ATOM 0 HD22 ASN A 38 4.383 -7.723 -9.121 1.00 1.24 H new ATOM 174 N ILE A 39 2.686 -6.589 -5.334 1.00 0.32 N ATOM 175 CA ILE A 39 2.006 -7.049 -4.144 1.00 0.32 C ATOM 176 C ILE A 39 2.411 -8.485 -3.834 1.00 0.36 C ATOM 177 O ILE A 39 2.753 -9.247 -4.740 1.00 0.41 O ATOM 178 CB ILE A 39 0.692 -6.988 -4.286 1.00 0.37 C ATOM 179 CG1 ILE A 39 0.272 -5.689 -4.971 1.00 0.41 C ATOM 180 CG2 ILE A 39 0.006 -7.106 -2.928 1.00 0.43 C ATOM 181 CD1 ILE A 39 -1.218 -5.586 -5.223 1.00 0.89 C ATOM 0 H ILE A 39 2.160 -6.727 -6.197 1.00 0.32 H new ATOM 0 HA ILE A 39 2.297 -6.395 -3.322 1.00 0.32 H new ATOM 0 HB ILE A 39 0.384 -7.822 -4.916 1.00 0.37 H new ATOM 0 HG12 ILE A 39 0.586 -4.846 -4.355 1.00 0.41 H new ATOM 0 HG13 ILE A 39 0.799 -5.603 -5.921 1.00 0.41 H new ATOM 0 HG21 ILE A 39 -1.075 -7.054 -3.061 1.00 0.43 H new ATOM 0 HG22 ILE A 39 0.270 -8.059 -2.469 1.00 0.43 H new ATOM 0 HG23 ILE A 39 0.332 -6.290 -2.284 1.00 0.43 H new ATOM 0 HD11 ILE A 39 -1.440 -4.637 -5.712 1.00 0.89 H new ATOM 0 HD12 ILE A 39 -1.536 -6.408 -5.865 1.00 0.89 H new ATOM 0 HD13 ILE A 39 -1.752 -5.639 -4.274 1.00 0.89 H new ATOM 193 N LEU A 40 2.439 -8.831 -2.559 1.00 0.40 N ATOM 194 CA LEU A 40 2.792 -10.177 -2.145 1.00 0.49 C ATOM 195 C LEU A 40 1.628 -10.835 -1.426 1.00 0.56 C ATOM 196 O LEU A 40 1.105 -11.859 -1.862 1.00 0.73 O ATOM 197 CB LEU A 40 4.006 -10.138 -1.223 1.00 0.55 C ATOM 198 CG LEU A 40 5.257 -9.486 -1.821 1.00 0.59 C ATOM 199 CD1 LEU A 40 6.450 -9.679 -0.902 1.00 1.39 C ATOM 200 CD2 LEU A 40 5.544 -10.052 -3.205 1.00 1.45 C ATOM 0 H LEU A 40 2.221 -8.196 -1.791 1.00 0.40 H new ATOM 0 HA LEU A 40 3.032 -10.759 -3.035 1.00 0.49 H new ATOM 0 HB2 LEU A 40 3.735 -9.601 -0.314 1.00 0.55 H new ATOM 0 HB3 LEU A 40 4.252 -11.158 -0.929 1.00 0.55 H new ATOM 0 HG LEU A 40 5.074 -8.416 -1.921 1.00 0.59 H new ATOM 0 HD11 LEU A 40 7.329 -9.209 -1.343 1.00 1.39 H new ATOM 0 HD12 LEU A 40 6.242 -9.222 0.065 1.00 1.39 H new ATOM 0 HD13 LEU A 40 6.637 -10.744 -0.767 1.00 1.39 H new ATOM 0 HD21 LEU A 40 6.436 -9.577 -3.614 1.00 1.45 H new ATOM 0 HD22 LEU A 40 5.706 -11.127 -3.132 1.00 1.45 H new ATOM 0 HD23 LEU A 40 4.696 -9.857 -3.861 1.00 1.45 H new ATOM 212 N GLN A 41 1.223 -10.238 -0.317 1.00 0.59 N ATOM 213 CA GLN A 41 0.149 -10.788 0.487 1.00 0.73 C ATOM 214 C GLN A 41 -0.605 -9.691 1.225 1.00 0.61 C ATOM 215 O GLN A 41 -0.011 -8.746 1.754 1.00 0.60 O ATOM 216 CB GLN A 41 0.693 -11.827 1.473 1.00 0.99 C ATOM 217 CG GLN A 41 1.939 -11.376 2.221 1.00 0.88 C ATOM 218 CD GLN A 41 2.521 -12.475 3.088 1.00 1.20 C ATOM 219 OE1 GLN A 41 2.366 -13.662 2.793 1.00 1.99 O ATOM 220 NE2 GLN A 41 3.212 -12.094 4.148 1.00 1.30 N ATOM 0 H GLN A 41 1.623 -9.373 0.045 1.00 0.59 H new ATOM 0 HA GLN A 41 -0.553 -11.282 -0.184 1.00 0.73 H new ATOM 0 HB2 GLN A 41 -0.085 -12.069 2.197 1.00 0.99 H new ATOM 0 HB3 GLN A 41 0.920 -12.745 0.930 1.00 0.99 H new ATOM 0 HG2 GLN A 41 2.691 -11.046 1.504 1.00 0.88 H new ATOM 0 HG3 GLN A 41 1.694 -10.516 2.844 1.00 0.88 H new ATOM 0 HE21 GLN A 41 3.317 -11.102 4.358 1.00 1.30 H new ATOM 0 HE22 GLN A 41 3.640 -12.792 4.756 1.00 1.30 H new ATOM 229 N TYR A 42 -1.919 -9.817 1.216 1.00 0.68 N ATOM 230 CA TYR A 42 -2.804 -8.900 1.922 1.00 0.69 C ATOM 231 C TYR A 42 -3.110 -9.415 3.321 1.00 0.78 C ATOM 232 O TYR A 42 -3.070 -10.621 3.574 1.00 1.25 O ATOM 233 CB TYR A 42 -4.117 -8.742 1.152 1.00 0.78 C ATOM 234 CG TYR A 42 -4.125 -7.629 0.128 1.00 0.68 C ATOM 235 CD1 TYR A 42 -5.329 -7.148 -0.372 1.00 0.83 C ATOM 236 CD2 TYR A 42 -2.945 -7.055 -0.334 1.00 0.57 C ATOM 237 CE1 TYR A 42 -5.361 -6.129 -1.302 1.00 0.80 C ATOM 238 CE2 TYR A 42 -2.971 -6.032 -1.266 1.00 0.56 C ATOM 239 CZ TYR A 42 -4.179 -5.574 -1.746 1.00 0.63 C ATOM 240 OH TYR A 42 -4.206 -4.560 -2.675 1.00 0.71 O ATOM 0 H TYR A 42 -2.408 -10.561 0.717 1.00 0.68 H new ATOM 0 HA TYR A 42 -2.301 -7.936 1.998 1.00 0.69 H new ATOM 0 HB2 TYR A 42 -4.341 -9.682 0.647 1.00 0.78 H new ATOM 0 HB3 TYR A 42 -4.921 -8.565 1.866 1.00 0.78 H new ATOM 0 HD1 TYR A 42 -6.257 -7.580 -0.026 1.00 0.83 H new ATOM 0 HD2 TYR A 42 -1.997 -7.412 0.039 1.00 0.57 H new ATOM 0 HE1 TYR A 42 -6.306 -5.768 -1.680 1.00 0.80 H new ATOM 0 HE2 TYR A 42 -2.048 -5.594 -1.616 1.00 0.56 H new ATOM 0 HH TYR A 42 -3.949 -3.717 -2.247 1.00 0.71 H new ATOM 250 N ASN A 43 -3.409 -8.504 4.234 1.00 0.89 N ATOM 251 CA ASN A 43 -3.887 -8.894 5.551 1.00 0.95 C ATOM 252 C ASN A 43 -5.404 -9.038 5.508 1.00 1.08 C ATOM 253 O ASN A 43 -6.041 -8.591 4.552 1.00 1.63 O ATOM 254 CB ASN A 43 -3.475 -7.871 6.619 1.00 0.96 C ATOM 255 CG ASN A 43 -3.681 -8.395 8.031 1.00 1.38 C ATOM 256 OD1 ASN A 43 -3.629 -9.601 8.267 1.00 2.13 O ATOM 257 ND2 ASN A 43 -3.927 -7.503 8.976 1.00 1.66 N ATOM 0 H ASN A 43 -3.330 -7.497 4.089 1.00 0.89 H new ATOM 0 HA ASN A 43 -3.435 -9.848 5.821 1.00 0.95 H new ATOM 0 HB2 ASN A 43 -2.426 -7.608 6.481 1.00 0.96 H new ATOM 0 HB3 ASN A 43 -4.053 -6.957 6.485 1.00 0.96 H new ATOM 0 HD21 ASN A 43 -4.081 -7.808 9.937 1.00 1.66 H new ATOM 0 HD22 ASN A 43 -3.963 -6.510 8.744 1.00 1.66 H new ATOM 264 N ALA A 44 -5.970 -9.655 6.535 1.00 1.12 N ATOM 265 CA ALA A 44 -7.404 -9.924 6.591 1.00 1.23 C ATOM 266 C ALA A 44 -8.236 -8.661 6.370 1.00 1.22 C ATOM 267 O ALA A 44 -9.292 -8.712 5.751 1.00 1.39 O ATOM 268 CB ALA A 44 -7.764 -10.562 7.924 1.00 1.48 C ATOM 0 H ALA A 44 -5.453 -9.983 7.351 1.00 1.12 H new ATOM 0 HA ALA A 44 -7.639 -10.614 5.781 1.00 1.23 H new ATOM 0 HB1 ALA A 44 -8.836 -10.759 7.956 1.00 1.48 H new ATOM 0 HB2 ALA A 44 -7.220 -11.499 8.038 1.00 1.48 H new ATOM 0 HB3 ALA A 44 -7.495 -9.886 8.735 1.00 1.48 H new ATOM 274 N ALA A 45 -7.747 -7.530 6.865 1.00 1.21 N ATOM 275 CA ALA A 45 -8.476 -6.268 6.765 1.00 1.34 C ATOM 276 C ALA A 45 -8.652 -5.832 5.319 1.00 1.26 C ATOM 277 O ALA A 45 -9.758 -5.497 4.895 1.00 1.38 O ATOM 278 CB ALA A 45 -7.755 -5.182 7.537 1.00 1.52 C ATOM 0 H ALA A 45 -6.847 -7.459 7.341 1.00 1.21 H new ATOM 0 HA ALA A 45 -9.465 -6.429 7.194 1.00 1.34 H new ATOM 0 HB1 ALA A 45 -8.309 -4.247 7.454 1.00 1.52 H new ATOM 0 HB2 ALA A 45 -7.682 -5.469 8.586 1.00 1.52 H new ATOM 0 HB3 ALA A 45 -6.754 -5.048 7.127 1.00 1.52 H new ATOM 284 N GLU A 46 -7.564 -5.868 4.560 1.00 1.18 N ATOM 285 CA GLU A 46 -7.572 -5.371 3.190 1.00 1.23 C ATOM 286 C GLU A 46 -8.345 -6.325 2.281 1.00 1.20 C ATOM 287 O GLU A 46 -8.552 -6.061 1.097 1.00 1.42 O ATOM 288 CB GLU A 46 -6.139 -5.189 2.690 1.00 1.27 C ATOM 289 CG GLU A 46 -5.999 -4.102 1.637 1.00 1.10 C ATOM 290 CD GLU A 46 -6.441 -2.746 2.153 1.00 1.31 C ATOM 291 OE1 GLU A 46 -5.787 -2.208 3.071 1.00 2.12 O ATOM 292 OE2 GLU A 46 -7.616 -2.084 1.599 1.00 1.31 O ATOM 0 H GLU A 46 -6.665 -6.236 4.870 1.00 1.18 H new ATOM 0 HA GLU A 46 -8.072 -4.403 3.169 1.00 1.23 H new ATOM 0 HB2 GLU A 46 -5.495 -4.950 3.536 1.00 1.27 H new ATOM 0 HB3 GLU A 46 -5.784 -6.133 2.276 1.00 1.27 H new ATOM 0 HG2 GLU A 46 -4.960 -4.045 1.312 1.00 1.10 H new ATOM 0 HG3 GLU A 46 -6.592 -4.367 0.762 1.00 1.10 H new ATOM 300 N GLY A 47 -8.765 -7.441 2.853 1.00 1.08 N ATOM 301 CA GLY A 47 -9.579 -8.383 2.130 1.00 1.18 C ATOM 302 C GLY A 47 -11.014 -8.394 2.616 1.00 1.25 C ATOM 303 O GLY A 47 -11.933 -8.186 1.832 1.00 1.42 O ATOM 0 H GLY A 47 -8.553 -7.710 3.814 1.00 1.08 H new ATOM 0 HA2 GLY A 47 -9.559 -8.137 1.068 1.00 1.18 H new ATOM 0 HA3 GLY A 47 -9.155 -9.382 2.234 1.00 1.18 H new ATOM 307 N ASP A 48 -11.202 -8.591 3.914 1.00 1.26 N ATOM 308 CA ASP A 48 -12.539 -8.767 4.480 1.00 1.49 C ATOM 309 C ASP A 48 -13.290 -7.442 4.553 1.00 1.53 C ATOM 310 O ASP A 48 -14.494 -7.382 4.307 1.00 1.74 O ATOM 311 CB ASP A 48 -12.440 -9.394 5.873 1.00 1.72 C ATOM 312 CG ASP A 48 -13.794 -9.727 6.466 1.00 2.01 C ATOM 313 OD1 ASP A 48 -14.337 -8.894 7.223 1.00 2.28 O ATOM 314 OD2 ASP A 48 -14.331 -10.811 6.162 1.00 2.35 O ATOM 0 H ASP A 48 -10.447 -8.633 4.598 1.00 1.26 H new ATOM 0 HA ASP A 48 -13.098 -9.434 3.824 1.00 1.49 H new ATOM 0 HB2 ASP A 48 -11.841 -10.303 5.815 1.00 1.72 H new ATOM 0 HB3 ASP A 48 -11.916 -8.708 6.539 1.00 1.72 H new ATOM 319 N ILE A 49 -12.573 -6.381 4.887 1.00 1.50 N ATOM 320 CA ILE A 49 -13.166 -5.057 4.969 1.00 1.74 C ATOM 321 C ILE A 49 -13.251 -4.442 3.578 1.00 1.73 C ATOM 322 O ILE A 49 -14.334 -4.084 3.104 1.00 2.08 O ATOM 323 CB ILE A 49 -12.455 -4.264 5.759 1.00 1.98 C ATOM 324 CG1 ILE A 49 -12.272 -4.896 7.133 1.00 2.10 C ATOM 325 CG2 ILE A 49 -13.110 -2.891 5.880 1.00 2.43 C ATOM 326 CD1 ILE A 49 -11.540 -4.013 8.124 1.00 2.59 C ATOM 0 H ILE A 49 -11.577 -6.412 5.106 1.00 1.50 H new ATOM 0 HA ILE A 49 -14.166 -5.159 5.390 1.00 1.74 H new ATOM 0 HB ILE A 49 -11.471 -4.132 5.310 1.00 1.98 H new ATOM 0 HG12 ILE A 49 -13.252 -5.147 7.540 1.00 2.10 H new ATOM 0 HG13 ILE A 49 -11.724 -5.832 7.021 1.00 2.10 H new ATOM 0 HG21 ILE A 49 -12.509 -2.258 6.533 1.00 2.43 H new ATOM 0 HG22 ILE A 49 -13.180 -2.433 4.893 1.00 2.43 H new ATOM 0 HG23 ILE A 49 -14.110 -3.001 6.300 1.00 2.43 H new ATOM 0 HD11 ILE A 49 -11.450 -4.533 9.077 1.00 2.59 H new ATOM 0 HD12 ILE A 49 -10.546 -3.782 7.741 1.00 2.59 H new ATOM 0 HD13 ILE A 49 -12.097 -3.087 8.267 1.00 2.59 H new ATOM 338 N THR A 50 -12.098 -4.349 2.930 1.00 1.71 N ATOM 339 CA THR A 50 -11.985 -3.789 1.594 1.00 1.95 C ATOM 340 C THR A 50 -12.869 -4.525 0.587 1.00 1.90 C ATOM 341 O THR A 50 -13.683 -3.911 -0.105 1.00 2.37 O ATOM 342 CB THR A 50 -10.734 -3.858 1.203 1.00 2.44 C ATOM 343 OG1 THR A 50 -9.891 -3.363 2.253 1.00 3.41 O ATOM 344 CG2 THR A 50 -10.494 -3.067 -0.074 1.00 2.45 C ATOM 0 H THR A 50 -11.210 -4.663 3.321 1.00 1.71 H new ATOM 0 HA THR A 50 -12.320 -2.753 1.636 1.00 1.95 H new ATOM 0 HB THR A 50 -10.498 -4.900 0.987 1.00 2.44 H new ATOM 0 HG1 THR A 50 -9.106 -2.926 1.863 1.00 3.41 H new ATOM 0 HG21 THR A 50 -9.446 -3.151 -0.362 1.00 2.45 H new ATOM 0 HG22 THR A 50 -11.123 -3.464 -0.871 1.00 2.45 H new ATOM 0 HG23 THR A 50 -10.741 -2.019 0.095 1.00 2.45 H new ATOM 352 N GLY A 51 -12.736 -5.842 0.535 1.00 1.87 N ATOM 353 CA GLY A 51 -13.485 -6.621 -0.427 1.00 2.32 C ATOM 354 C GLY A 51 -12.584 -7.246 -1.467 1.00 1.77 C ATOM 355 O GLY A 51 -12.896 -7.243 -2.659 1.00 2.08 O ATOM 0 H GLY A 51 -12.122 -6.385 1.142 1.00 1.87 H new ATOM 0 HA2 GLY A 51 -14.039 -7.404 0.091 1.00 2.32 H new ATOM 0 HA3 GLY A 51 -14.219 -5.983 -0.919 1.00 2.32 H new ATOM 359 N ARG A 52 -11.460 -7.778 -1.011 1.00 1.46 N ATOM 360 CA ARG A 52 -10.484 -8.400 -1.894 1.00 1.09 C ATOM 361 C ARG A 52 -10.048 -9.736 -1.315 1.00 1.03 C ATOM 362 O ARG A 52 -10.412 -10.078 -0.191 1.00 1.29 O ATOM 363 CB ARG A 52 -9.257 -7.495 -2.081 1.00 1.22 C ATOM 364 CG ARG A 52 -9.551 -6.193 -2.809 1.00 1.55 C ATOM 365 CD ARG A 52 -10.071 -6.447 -4.215 1.00 1.67 C ATOM 366 NE ARG A 52 -10.292 -5.205 -4.953 1.00 1.96 N ATOM 367 CZ ARG A 52 -11.324 -5.000 -5.770 1.00 2.47 C ATOM 368 NH1 ARG A 52 -12.256 -5.936 -5.913 1.00 2.72 N ATOM 369 NH2 ARG A 52 -11.429 -3.854 -6.432 1.00 3.14 N ATOM 0 H ARG A 52 -11.199 -7.791 -0.025 1.00 1.46 H new ATOM 0 HA ARG A 52 -10.951 -8.554 -2.867 1.00 1.09 H new ATOM 0 HB2 ARG A 52 -8.836 -7.264 -1.102 1.00 1.22 H new ATOM 0 HB3 ARG A 52 -8.495 -8.044 -2.634 1.00 1.22 H new ATOM 0 HG2 ARG A 52 -10.286 -5.618 -2.246 1.00 1.55 H new ATOM 0 HG3 ARG A 52 -8.645 -5.590 -2.858 1.00 1.55 H new ATOM 0 HD2 ARG A 52 -9.359 -7.069 -4.758 1.00 1.67 H new ATOM 0 HD3 ARG A 52 -11.005 -7.006 -4.160 1.00 1.67 H new ATOM 0 HE ARG A 52 -9.616 -4.450 -4.835 1.00 1.96 H new ATOM 0 HH11 ARG A 52 -12.182 -6.813 -5.397 1.00 2.72 H new ATOM 0 HH12 ARG A 52 -13.046 -5.778 -6.539 1.00 2.72 H new ATOM 0 HH21 ARG A 52 -10.719 -3.131 -6.315 1.00 3.14 H new ATOM 0 HH22 ARG A 52 -12.219 -3.697 -7.058 1.00 3.14 H new ATOM 383 N ASP A 53 -9.293 -10.493 -2.086 1.00 0.94 N ATOM 384 CA ASP A 53 -8.709 -11.727 -1.589 1.00 1.00 C ATOM 385 C ASP A 53 -7.219 -11.529 -1.348 1.00 0.89 C ATOM 386 O ASP A 53 -6.506 -11.013 -2.212 1.00 0.82 O ATOM 387 CB ASP A 53 -8.934 -12.877 -2.570 1.00 1.18 C ATOM 388 CG ASP A 53 -8.422 -14.195 -2.031 1.00 1.55 C ATOM 389 OD1 ASP A 53 -9.211 -14.942 -1.412 1.00 1.90 O ATOM 390 OD2 ASP A 53 -7.230 -14.500 -2.239 1.00 2.10 O ATOM 0 H ASP A 53 -9.069 -10.278 -3.057 1.00 0.94 H new ATOM 0 HA ASP A 53 -9.198 -11.985 -0.650 1.00 1.00 H new ATOM 0 HB2 ASP A 53 -9.999 -12.964 -2.787 1.00 1.18 H new ATOM 0 HB3 ASP A 53 -8.434 -12.652 -3.512 1.00 1.18 H new ATOM 395 N PRO A 54 -6.735 -11.933 -0.163 1.00 1.02 N ATOM 396 CA PRO A 54 -5.332 -11.756 0.244 1.00 1.10 C ATOM 397 C PRO A 54 -4.315 -12.346 -0.737 1.00 1.03 C ATOM 398 O PRO A 54 -3.146 -11.958 -0.725 1.00 1.68 O ATOM 399 CB PRO A 54 -5.254 -12.498 1.582 1.00 1.35 C ATOM 400 CG PRO A 54 -6.646 -12.496 2.101 1.00 1.43 C ATOM 401 CD PRO A 54 -7.534 -12.580 0.893 1.00 1.25 C ATOM 0 HA PRO A 54 -5.077 -10.697 0.291 1.00 1.10 H new ATOM 0 HB2 PRO A 54 -4.883 -13.514 1.449 1.00 1.35 H new ATOM 0 HB3 PRO A 54 -4.574 -11.998 2.272 1.00 1.35 H new ATOM 0 HG2 PRO A 54 -6.815 -13.340 2.770 1.00 1.43 H new ATOM 0 HG3 PRO A 54 -6.849 -11.590 2.673 1.00 1.43 H new ATOM 0 HD2 PRO A 54 -7.772 -13.613 0.641 1.00 1.25 H new ATOM 0 HD3 PRO A 54 -8.481 -12.064 1.054 1.00 1.25 H new ATOM 409 N LYS A 55 -4.751 -13.275 -1.582 1.00 0.89 N ATOM 410 CA LYS A 55 -3.841 -13.942 -2.510 1.00 0.96 C ATOM 411 C LYS A 55 -4.231 -13.708 -3.970 1.00 0.82 C ATOM 412 O LYS A 55 -3.745 -14.403 -4.863 1.00 0.92 O ATOM 413 CB LYS A 55 -3.772 -15.446 -2.226 1.00 1.26 C ATOM 414 CG LYS A 55 -3.207 -15.790 -0.855 1.00 1.53 C ATOM 415 CD LYS A 55 -2.804 -17.258 -0.765 1.00 2.06 C ATOM 416 CE LYS A 55 -3.974 -18.194 -1.027 1.00 2.89 C ATOM 417 NZ LYS A 55 -5.039 -18.054 -0.003 1.00 3.61 N ATOM 0 H LYS A 55 -5.722 -13.582 -1.644 1.00 0.89 H new ATOM 0 HA LYS A 55 -2.856 -13.502 -2.351 1.00 0.96 H new ATOM 0 HB2 LYS A 55 -4.773 -15.868 -2.312 1.00 1.26 H new ATOM 0 HB3 LYS A 55 -3.159 -15.922 -2.991 1.00 1.26 H new ATOM 0 HG2 LYS A 55 -2.341 -15.161 -0.650 1.00 1.53 H new ATOM 0 HG3 LYS A 55 -3.950 -15.569 -0.089 1.00 1.53 H new ATOM 0 HD2 LYS A 55 -2.011 -17.460 -1.486 1.00 2.06 H new ATOM 0 HD3 LYS A 55 -2.394 -17.460 0.225 1.00 2.06 H new ATOM 0 HE2 LYS A 55 -4.390 -17.987 -2.013 1.00 2.89 H new ATOM 0 HE3 LYS A 55 -3.618 -19.224 -1.041 1.00 2.89 H new ATOM 0 HZ1 LYS A 55 -5.760 -18.789 -0.150 1.00 3.61 H new ATOM 0 HZ2 LYS A 55 -4.625 -18.160 0.945 1.00 3.61 H new ATOM 0 HZ3 LYS A 55 -5.479 -17.115 -0.086 1.00 3.61 H new ATOM 431 N GLN A 56 -5.094 -12.730 -4.220 1.00 0.72 N ATOM 432 CA GLN A 56 -5.426 -12.350 -5.593 1.00 0.73 C ATOM 433 C GLN A 56 -4.418 -11.336 -6.115 1.00 0.63 C ATOM 434 O GLN A 56 -4.339 -11.073 -7.316 1.00 0.79 O ATOM 435 CB GLN A 56 -6.837 -11.763 -5.685 1.00 0.87 C ATOM 436 CG GLN A 56 -7.950 -12.798 -5.685 1.00 1.32 C ATOM 437 CD GLN A 56 -7.867 -13.750 -6.859 1.00 1.92 C ATOM 438 OE1 GLN A 56 -8.412 -13.485 -7.933 1.00 2.50 O ATOM 439 NE2 GLN A 56 -7.207 -14.874 -6.659 1.00 2.41 N ATOM 0 H GLN A 56 -5.573 -12.189 -3.500 1.00 0.72 H new ATOM 0 HA GLN A 56 -5.389 -13.252 -6.204 1.00 0.73 H new ATOM 0 HB2 GLN A 56 -6.990 -11.083 -4.847 1.00 0.87 H new ATOM 0 HB3 GLN A 56 -6.911 -11.168 -6.595 1.00 0.87 H new ATOM 0 HG2 GLN A 56 -7.909 -13.369 -4.757 1.00 1.32 H new ATOM 0 HG3 GLN A 56 -8.913 -12.289 -5.704 1.00 1.32 H new ATOM 0 HE21 GLN A 56 -6.770 -15.055 -5.755 1.00 2.41 H new ATOM 0 HE22 GLN A 56 -7.133 -15.562 -7.408 1.00 2.41 H new ATOM 448 N VAL A 57 -3.632 -10.789 -5.202 1.00 0.52 N ATOM 449 CA VAL A 57 -2.679 -9.736 -5.523 1.00 0.48 C ATOM 450 C VAL A 57 -1.316 -10.294 -5.918 1.00 0.55 C ATOM 451 O VAL A 57 -0.279 -9.818 -5.461 1.00 0.97 O ATOM 452 CB VAL A 57 -2.530 -8.901 -4.509 1.00 0.52 C ATOM 453 CG1 VAL A 57 -3.741 -7.979 -4.414 1.00 0.62 C ATOM 454 CG2 VAL A 57 -2.326 -9.649 -3.191 1.00 0.58 C ATOM 0 H VAL A 57 -3.636 -11.061 -4.219 1.00 0.52 H new ATOM 0 HA VAL A 57 -3.092 -9.199 -6.377 1.00 0.48 H new ATOM 0 HB VAL A 57 -1.636 -8.304 -4.691 1.00 0.52 H new ATOM 0 HG11 VAL A 57 -3.612 -7.294 -3.576 1.00 0.62 H new ATOM 0 HG12 VAL A 57 -3.838 -7.409 -5.338 1.00 0.62 H new ATOM 0 HG13 VAL A 57 -4.641 -8.575 -4.260 1.00 0.62 H new ATOM 0 HG21 VAL A 57 -2.207 -8.931 -2.380 1.00 0.58 H new ATOM 0 HG22 VAL A 57 -3.192 -10.280 -2.993 1.00 0.58 H new ATOM 0 HG23 VAL A 57 -1.433 -10.270 -3.260 1.00 0.58 H new ATOM 464 N ILE A 58 -1.315 -11.309 -6.766 1.00 0.51 N ATOM 465 CA ILE A 58 -0.067 -11.924 -7.183 1.00 0.57 C ATOM 466 C ILE A 58 0.302 -11.490 -8.594 1.00 0.57 C ATOM 467 O ILE A 58 -0.551 -11.448 -9.485 1.00 0.66 O ATOM 468 CB ILE A 58 -0.126 -13.253 -7.116 1.00 0.70 C ATOM 469 CG1 ILE A 58 -0.510 -13.718 -5.705 1.00 0.93 C ATOM 470 CG2 ILE A 58 1.199 -13.890 -7.537 1.00 1.09 C ATOM 471 CD1 ILE A 58 0.494 -13.337 -4.636 1.00 1.01 C ATOM 0 H ILE A 58 -2.154 -11.720 -7.175 1.00 0.51 H new ATOM 0 HA ILE A 58 0.706 -11.586 -6.493 1.00 0.57 H new ATOM 0 HB ILE A 58 -0.899 -13.579 -7.812 1.00 0.70 H new ATOM 0 HG12 ILE A 58 -1.480 -13.294 -5.445 1.00 0.93 H new ATOM 0 HG13 ILE A 58 -0.627 -14.802 -5.710 1.00 0.93 H new ATOM 0 HG21 ILE A 58 1.118 -14.975 -7.471 1.00 1.09 H new ATOM 0 HG22 ILE A 58 1.430 -13.605 -8.563 1.00 1.09 H new ATOM 0 HG23 ILE A 58 1.995 -13.545 -6.877 1.00 1.09 H new ATOM 0 HD11 ILE A 58 0.151 -13.701 -3.668 1.00 1.01 H new ATOM 0 HD12 ILE A 58 1.461 -13.783 -4.869 1.00 1.01 H new ATOM 0 HD13 ILE A 58 0.594 -12.252 -4.601 1.00 1.01 H new ATOM 483 N GLY A 59 1.566 -11.105 -8.770 1.00 0.59 N ATOM 484 CA GLY A 59 2.032 -10.634 -10.055 1.00 0.66 C ATOM 485 C GLY A 59 1.462 -9.277 -10.379 1.00 0.56 C ATOM 486 O GLY A 59 1.461 -8.849 -11.534 1.00 0.65 O ATOM 0 H GLY A 59 2.275 -11.113 -8.037 1.00 0.59 H new ATOM 0 HA2 GLY A 59 3.121 -10.583 -10.053 1.00 0.66 H new ATOM 0 HA3 GLY A 59 1.748 -11.345 -10.831 1.00 0.66 H new ATOM 490 N LYS A 60 0.991 -8.588 -9.354 1.00 0.48 N ATOM 491 CA LYS A 60 0.237 -7.376 -9.551 1.00 0.45 C ATOM 492 C LYS A 60 0.861 -6.219 -8.802 1.00 0.38 C ATOM 493 O LYS A 60 1.529 -6.416 -7.791 1.00 0.43 O ATOM 494 CB LYS A 60 -1.201 -7.609 -9.102 1.00 0.49 C ATOM 495 CG LYS A 60 -2.021 -8.361 -10.135 1.00 0.80 C ATOM 496 CD LYS A 60 -3.496 -8.410 -9.778 1.00 1.12 C ATOM 497 CE LYS A 60 -4.306 -9.061 -10.891 1.00 1.27 C ATOM 498 NZ LYS A 60 -4.157 -8.337 -12.185 1.00 1.82 N ATOM 0 H LYS A 60 1.121 -8.853 -8.378 1.00 0.48 H new ATOM 0 HA LYS A 60 0.246 -7.114 -10.609 1.00 0.45 H new ATOM 0 HB2 LYS A 60 -1.199 -8.169 -8.167 1.00 0.49 H new ATOM 0 HB3 LYS A 60 -1.674 -6.648 -8.897 1.00 0.49 H new ATOM 0 HG2 LYS A 60 -1.901 -7.884 -11.108 1.00 0.80 H new ATOM 0 HG3 LYS A 60 -1.639 -9.377 -10.229 1.00 0.80 H new ATOM 0 HD2 LYS A 60 -3.631 -8.968 -8.851 1.00 1.12 H new ATOM 0 HD3 LYS A 60 -3.864 -7.400 -9.599 1.00 1.12 H new ATOM 0 HE2 LYS A 60 -3.986 -10.096 -11.015 1.00 1.27 H new ATOM 0 HE3 LYS A 60 -5.358 -9.085 -10.608 1.00 1.27 H new ATOM 0 HZ1 LYS A 60 -5.083 -8.268 -12.653 1.00 1.82 H new ATOM 0 HZ2 LYS A 60 -3.787 -7.381 -12.008 1.00 1.82 H new ATOM 0 HZ3 LYS A 60 -3.497 -8.855 -12.799 1.00 1.82 H new ATOM 512 N ASN A 61 0.659 -5.021 -9.319 1.00 0.43 N ATOM 513 CA ASN A 61 1.195 -3.819 -8.704 1.00 0.42 C ATOM 514 C ASN A 61 0.069 -3.055 -8.020 1.00 0.39 C ATOM 515 O ASN A 61 -0.921 -2.694 -8.655 1.00 0.42 O ATOM 516 CB ASN A 61 1.888 -2.955 -9.767 1.00 0.52 C ATOM 517 CG ASN A 61 2.631 -1.760 -9.193 1.00 0.58 C ATOM 518 OD1 ASN A 61 2.172 -1.105 -8.258 1.00 0.72 O ATOM 519 ND2 ASN A 61 3.806 -1.489 -9.734 1.00 0.71 N ATOM 0 H ASN A 61 0.123 -4.853 -10.171 1.00 0.43 H new ATOM 0 HA ASN A 61 1.937 -4.087 -7.951 1.00 0.42 H new ATOM 0 HB2 ASN A 61 2.590 -3.575 -10.325 1.00 0.52 H new ATOM 0 HB3 ASN A 61 1.141 -2.600 -10.478 1.00 0.52 H new ATOM 0 HD21 ASN A 61 4.365 -0.714 -9.377 1.00 0.71 H new ATOM 0 HD22 ASN A 61 4.154 -2.055 -10.508 1.00 0.71 H new ATOM 526 N PHE A 62 0.222 -2.833 -6.720 1.00 0.38 N ATOM 527 CA PHE A 62 -0.805 -2.174 -5.913 1.00 0.40 C ATOM 528 C PHE A 62 -1.210 -0.828 -6.504 1.00 0.47 C ATOM 529 O PHE A 62 -2.395 -0.516 -6.611 1.00 0.70 O ATOM 530 CB PHE A 62 -0.301 -1.988 -4.476 1.00 0.43 C ATOM 531 CG PHE A 62 -1.234 -1.195 -3.599 1.00 0.45 C ATOM 532 CD1 PHE A 62 -0.954 0.126 -3.282 1.00 0.51 C ATOM 533 CD2 PHE A 62 -2.392 -1.768 -3.099 1.00 0.51 C ATOM 534 CE1 PHE A 62 -1.811 0.859 -2.483 1.00 0.55 C ATOM 535 CE2 PHE A 62 -3.253 -1.041 -2.299 1.00 0.56 C ATOM 536 CZ PHE A 62 -2.963 0.275 -1.990 1.00 0.53 C ATOM 0 H PHE A 62 1.055 -3.102 -6.196 1.00 0.38 H new ATOM 0 HA PHE A 62 -1.688 -2.813 -5.910 1.00 0.40 H new ATOM 0 HB2 PHE A 62 -0.142 -2.969 -4.027 1.00 0.43 H new ATOM 0 HB3 PHE A 62 0.668 -1.489 -4.503 1.00 0.43 H new ATOM 0 HD1 PHE A 62 -0.055 0.587 -3.664 1.00 0.51 H new ATOM 0 HD2 PHE A 62 -2.625 -2.795 -3.337 1.00 0.51 H new ATOM 0 HE1 PHE A 62 -1.581 1.887 -2.244 1.00 0.55 H new ATOM 0 HE2 PHE A 62 -4.152 -1.501 -1.915 1.00 0.56 H new ATOM 0 HZ PHE A 62 -3.635 0.845 -1.365 1.00 0.53 H new ATOM 546 N PHE A 63 -0.225 -0.059 -6.929 1.00 0.46 N ATOM 547 CA PHE A 63 -0.458 1.311 -7.364 1.00 0.55 C ATOM 548 C PHE A 63 -1.057 1.364 -8.766 1.00 0.66 C ATOM 549 O PHE A 63 -1.418 2.434 -9.255 1.00 0.91 O ATOM 550 CB PHE A 63 0.854 2.091 -7.345 1.00 0.57 C ATOM 551 CG PHE A 63 1.545 2.095 -6.012 1.00 0.57 C ATOM 552 CD1 PHE A 63 2.419 1.079 -5.666 1.00 0.82 C ATOM 553 CD2 PHE A 63 1.309 3.111 -5.099 1.00 0.77 C ATOM 554 CE1 PHE A 63 3.043 1.076 -4.434 1.00 1.10 C ATOM 555 CE2 PHE A 63 1.934 3.113 -3.868 1.00 1.04 C ATOM 556 CZ PHE A 63 2.842 2.112 -3.555 1.00 1.16 C ATOM 0 H PHE A 63 0.748 -0.359 -6.983 1.00 0.46 H new ATOM 0 HA PHE A 63 -1.171 1.760 -6.673 1.00 0.55 H new ATOM 0 HB2 PHE A 63 1.527 1.667 -8.090 1.00 0.57 H new ATOM 0 HB3 PHE A 63 0.657 3.121 -7.643 1.00 0.57 H new ATOM 0 HD1 PHE A 63 2.615 0.281 -6.366 1.00 0.82 H new ATOM 0 HD2 PHE A 63 0.628 3.910 -5.354 1.00 0.77 H new ATOM 0 HE1 PHE A 63 3.691 0.256 -4.161 1.00 1.10 H new ATOM 0 HE2 PHE A 63 1.717 3.891 -3.151 1.00 1.04 H new ATOM 0 HZ PHE A 63 3.388 2.147 -2.624 1.00 1.16 H new ATOM 566 N LYS A 64 -1.172 0.215 -9.414 1.00 0.57 N ATOM 567 CA LYS A 64 -1.555 0.185 -10.816 1.00 0.72 C ATOM 568 C LYS A 64 -2.723 -0.760 -11.072 1.00 0.72 C ATOM 569 O LYS A 64 -3.693 -0.392 -11.733 1.00 0.90 O ATOM 570 CB LYS A 64 -0.355 -0.215 -11.666 1.00 0.82 C ATOM 571 CG LYS A 64 0.813 0.748 -11.538 1.00 1.56 C ATOM 572 CD LYS A 64 1.973 0.317 -12.404 1.00 2.11 C ATOM 573 CE LYS A 64 3.178 1.234 -12.243 1.00 2.85 C ATOM 574 NZ LYS A 64 2.919 2.606 -12.753 1.00 3.58 N ATOM 0 H LYS A 64 -1.007 -0.701 -8.996 1.00 0.57 H new ATOM 0 HA LYS A 64 -1.885 1.186 -11.093 1.00 0.72 H new ATOM 0 HB2 LYS A 64 -0.028 -1.214 -11.376 1.00 0.82 H new ATOM 0 HB3 LYS A 64 -0.660 -0.270 -12.711 1.00 0.82 H new ATOM 0 HG2 LYS A 64 0.495 1.750 -11.824 1.00 1.56 H new ATOM 0 HG3 LYS A 64 1.132 0.800 -10.497 1.00 1.56 H new ATOM 0 HD2 LYS A 64 2.257 -0.703 -12.147 1.00 2.11 H new ATOM 0 HD3 LYS A 64 1.662 0.308 -13.449 1.00 2.11 H new ATOM 0 HE2 LYS A 64 3.453 1.287 -11.189 1.00 2.85 H new ATOM 0 HE3 LYS A 64 4.029 0.807 -12.773 1.00 2.85 H new ATOM 0 HZ1 LYS A 64 3.801 3.157 -12.731 1.00 3.58 H new ATOM 0 HZ2 LYS A 64 2.568 2.553 -13.731 1.00 3.58 H new ATOM 0 HZ3 LYS A 64 2.206 3.070 -12.155 1.00 3.58 H new ATOM 588 N ASP A 65 -2.638 -1.973 -10.543 1.00 0.60 N ATOM 589 CA ASP A 65 -3.622 -3.002 -10.861 1.00 0.69 C ATOM 590 C ASP A 65 -4.768 -3.040 -9.861 1.00 0.74 C ATOM 591 O ASP A 65 -5.850 -3.534 -10.182 1.00 1.10 O ATOM 592 CB ASP A 65 -2.964 -4.384 -10.895 1.00 0.79 C ATOM 593 CG ASP A 65 -1.905 -4.512 -11.966 1.00 1.38 C ATOM 594 OD1 ASP A 65 -2.269 -4.687 -13.146 1.00 1.50 O ATOM 595 OD2 ASP A 65 -0.701 -4.432 -11.635 1.00 2.20 O ATOM 0 H ASP A 65 -1.906 -2.268 -9.897 1.00 0.60 H new ATOM 0 HA ASP A 65 -4.025 -2.747 -11.841 1.00 0.69 H new ATOM 0 HB2 ASP A 65 -2.516 -4.590 -9.923 1.00 0.79 H new ATOM 0 HB3 ASP A 65 -3.731 -5.141 -11.059 1.00 0.79 H new ATOM 600 N VAL A 66 -4.550 -2.532 -8.647 1.00 0.70 N ATOM 601 CA VAL A 66 -5.587 -2.615 -7.618 1.00 0.82 C ATOM 602 C VAL A 66 -5.852 -1.250 -6.978 1.00 0.70 C ATOM 603 O VAL A 66 -6.532 -1.154 -5.958 1.00 0.80 O ATOM 604 CB VAL A 66 -5.268 -3.483 -6.648 1.00 1.05 C ATOM 605 CG1 VAL A 66 -6.523 -4.063 -6.004 1.00 1.45 C ATOM 606 CG2 VAL A 66 -4.367 -4.610 -7.139 1.00 1.77 C ATOM 0 H VAL A 66 -3.688 -2.070 -8.357 1.00 0.70 H new ATOM 0 HA VAL A 66 -6.485 -2.964 -8.127 1.00 0.82 H new ATOM 0 HB VAL A 66 -4.707 -2.919 -5.903 1.00 1.05 H new ATOM 0 HG11 VAL A 66 -6.239 -4.765 -5.220 1.00 1.45 H new ATOM 0 HG12 VAL A 66 -7.116 -3.257 -5.572 1.00 1.45 H new ATOM 0 HG13 VAL A 66 -7.113 -4.583 -6.759 1.00 1.45 H new ATOM 0 HG21 VAL A 66 -4.141 -5.282 -6.311 1.00 1.77 H new ATOM 0 HG22 VAL A 66 -4.875 -5.164 -7.928 1.00 1.77 H new ATOM 0 HG23 VAL A 66 -3.440 -4.191 -7.529 1.00 1.77 H new ATOM 616 N ALA A 67 -5.346 -0.190 -7.606 1.00 0.56 N ATOM 617 CA ALA A 67 -5.514 1.170 -7.087 1.00 0.53 C ATOM 618 C ALA A 67 -4.835 2.189 -7.994 1.00 0.49 C ATOM 619 O ALA A 67 -3.784 2.721 -7.661 1.00 0.61 O ATOM 620 CB ALA A 67 -4.954 1.290 -5.672 1.00 0.60 C ATOM 0 H ALA A 67 -4.816 -0.245 -8.476 1.00 0.56 H new ATOM 0 HA ALA A 67 -6.584 1.379 -7.061 1.00 0.53 H new ATOM 0 HB1 ALA A 67 -5.092 2.309 -5.311 1.00 0.60 H new ATOM 0 HB2 ALA A 67 -5.479 0.598 -5.013 1.00 0.60 H new ATOM 0 HB3 ALA A 67 -3.891 1.048 -5.680 1.00 0.60 H new ATOM 626 N PRO A 68 -5.431 2.483 -9.157 1.00 0.44 N ATOM 627 CA PRO A 68 -4.832 3.385 -10.153 1.00 0.47 C ATOM 628 C PRO A 68 -4.742 4.842 -9.687 1.00 0.55 C ATOM 629 O PRO A 68 -4.197 5.688 -10.394 1.00 0.81 O ATOM 630 CB PRO A 68 -5.775 3.273 -11.362 1.00 0.56 C ATOM 631 CG PRO A 68 -6.611 2.064 -11.105 1.00 0.69 C ATOM 632 CD PRO A 68 -6.718 1.947 -9.614 1.00 0.47 C ATOM 0 HA PRO A 68 -3.801 3.101 -10.362 1.00 0.47 H new ATOM 0 HB2 PRO A 68 -6.394 4.165 -11.461 1.00 0.56 H new ATOM 0 HB3 PRO A 68 -5.213 3.171 -12.290 1.00 0.56 H new ATOM 0 HG2 PRO A 68 -7.596 2.166 -11.560 1.00 0.69 H new ATOM 0 HG3 PRO A 68 -6.152 1.173 -11.535 1.00 0.69 H new ATOM 0 HD2 PRO A 68 -7.558 2.520 -9.222 1.00 0.47 H new ATOM 0 HD3 PRO A 68 -6.862 0.914 -9.298 1.00 0.47 H new ATOM 640 N CYS A 69 -5.274 5.144 -8.508 1.00 0.51 N ATOM 641 CA CYS A 69 -5.208 6.503 -7.985 1.00 0.61 C ATOM 642 C CYS A 69 -4.319 6.560 -6.746 1.00 0.59 C ATOM 643 O CYS A 69 -4.251 7.587 -6.071 1.00 0.81 O ATOM 644 CB CYS A 69 -6.613 7.043 -7.661 1.00 0.85 C ATOM 645 SG CYS A 69 -7.283 6.558 -6.029 1.00 0.81 S ATOM 0 H CYS A 69 -5.750 4.475 -7.903 1.00 0.51 H new ATOM 0 HA CYS A 69 -4.771 7.136 -8.757 1.00 0.61 H new ATOM 0 HB2 CYS A 69 -6.587 8.131 -7.715 1.00 0.85 H new ATOM 0 HB3 CYS A 69 -7.302 6.702 -8.434 1.00 0.85 H new ATOM 650 N THR A 70 -3.488 5.539 -6.574 1.00 0.61 N ATOM 651 CA THR A 70 -2.377 5.632 -5.637 1.00 0.58 C ATOM 652 C THR A 70 -1.081 6.001 -6.355 1.00 0.55 C ATOM 653 O THR A 70 -0.285 6.789 -5.843 1.00 0.64 O ATOM 654 CB THR A 70 -2.207 4.502 -4.978 1.00 0.63 C ATOM 655 OG1 THR A 70 -2.025 3.414 -5.890 1.00 1.33 O ATOM 656 CG2 THR A 70 -3.382 4.214 -4.057 1.00 1.07 C ATOM 0 H THR A 70 -3.561 4.648 -7.065 1.00 0.61 H new ATOM 0 HA THR A 70 -2.626 6.419 -4.925 1.00 0.58 H new ATOM 0 HB THR A 70 -1.312 4.609 -4.365 1.00 0.63 H new ATOM 0 HG1 THR A 70 -2.900 3.085 -6.185 1.00 1.33 H new ATOM 0 HG21 THR A 70 -3.209 3.276 -3.529 1.00 1.07 H new ATOM 0 HG22 THR A 70 -3.485 5.023 -3.334 1.00 1.07 H new ATOM 0 HG23 THR A 70 -4.296 4.136 -4.646 1.00 1.07 H new ATOM 664 N ASP A 71 -0.898 5.460 -7.558 1.00 0.55 N ATOM 665 CA ASP A 71 0.275 5.762 -8.377 1.00 0.63 C ATOM 666 C ASP A 71 0.343 7.258 -8.683 1.00 0.70 C ATOM 667 O ASP A 71 -0.385 7.769 -9.536 1.00 0.88 O ATOM 668 CB ASP A 71 0.221 4.958 -9.676 1.00 0.76 C ATOM 669 CG ASP A 71 1.473 5.089 -10.523 1.00 0.96 C ATOM 670 OD1 ASP A 71 2.453 5.707 -10.069 1.00 1.85 O ATOM 671 OD2 ASP A 71 1.476 4.558 -11.656 1.00 1.34 O ATOM 0 H ASP A 71 -1.551 4.806 -7.989 1.00 0.55 H new ATOM 0 HA ASP A 71 1.172 5.484 -7.823 1.00 0.63 H new ATOM 0 HB2 ASP A 71 0.063 3.906 -9.437 1.00 0.76 H new ATOM 0 HB3 ASP A 71 -0.639 5.285 -10.260 1.00 0.76 H new ATOM 676 N SER A 72 1.221 7.949 -7.971 1.00 0.66 N ATOM 677 CA SER A 72 1.332 9.396 -8.068 1.00 0.77 C ATOM 678 C SER A 72 2.659 9.846 -7.466 1.00 0.76 C ATOM 679 O SER A 72 3.213 9.154 -6.613 1.00 0.71 O ATOM 680 CB SER A 72 0.161 10.064 -7.333 1.00 0.88 C ATOM 681 OG SER A 72 0.148 9.711 -5.958 1.00 1.56 O ATOM 0 H SER A 72 1.874 7.524 -7.312 1.00 0.66 H new ATOM 0 HA SER A 72 1.297 9.691 -9.117 1.00 0.77 H new ATOM 0 HB2 SER A 72 0.236 11.147 -7.432 1.00 0.88 H new ATOM 0 HB3 SER A 72 -0.780 9.766 -7.796 1.00 0.88 H new ATOM 0 HG SER A 72 -0.090 8.765 -5.865 1.00 1.56 H new ATOM 687 N PRO A 73 3.191 11.004 -7.888 1.00 0.90 N ATOM 688 CA PRO A 73 4.467 11.522 -7.376 1.00 0.99 C ATOM 689 C PRO A 73 4.438 11.803 -5.871 1.00 0.96 C ATOM 690 O PRO A 73 5.483 11.841 -5.220 1.00 1.05 O ATOM 691 CB PRO A 73 4.679 12.823 -8.163 1.00 1.13 C ATOM 692 CG PRO A 73 3.334 13.187 -8.695 1.00 1.17 C ATOM 693 CD PRO A 73 2.606 11.891 -8.909 1.00 1.05 C ATOM 0 HA PRO A 73 5.269 10.796 -7.506 1.00 0.99 H new ATOM 0 HB2 PRO A 73 5.074 13.611 -7.521 1.00 1.13 H new ATOM 0 HB3 PRO A 73 5.396 12.681 -8.971 1.00 1.13 H new ATOM 0 HG2 PRO A 73 2.797 13.824 -7.993 1.00 1.17 H new ATOM 0 HG3 PRO A 73 3.422 13.744 -9.628 1.00 1.17 H new ATOM 0 HD2 PRO A 73 1.531 12.006 -8.774 1.00 1.05 H new ATOM 0 HD3 PRO A 73 2.761 11.503 -9.916 1.00 1.05 H new ATOM 701 N GLU A 74 3.242 11.981 -5.316 1.00 0.91 N ATOM 702 CA GLU A 74 3.105 12.298 -3.900 1.00 0.96 C ATOM 703 C GLU A 74 2.922 11.042 -3.050 1.00 0.93 C ATOM 704 O GLU A 74 3.100 11.083 -1.836 1.00 1.25 O ATOM 705 CB GLU A 74 1.943 13.268 -3.671 1.00 1.07 C ATOM 706 CG GLU A 74 0.588 12.733 -4.104 1.00 0.90 C ATOM 707 CD GLU A 74 -0.511 13.763 -3.946 1.00 1.59 C ATOM 708 OE1 GLU A 74 -1.353 13.617 -3.032 1.00 2.56 O ATOM 709 OE2 GLU A 74 -0.524 14.744 -4.720 1.00 1.58 O ATOM 0 H GLU A 74 2.360 11.911 -5.823 1.00 0.91 H new ATOM 0 HA GLU A 74 4.032 12.778 -3.586 1.00 0.96 H new ATOM 0 HB2 GLU A 74 1.899 13.521 -2.612 1.00 1.07 H new ATOM 0 HB3 GLU A 74 2.145 14.193 -4.211 1.00 1.07 H new ATOM 0 HG2 GLU A 74 0.640 12.417 -5.146 1.00 0.90 H new ATOM 0 HG3 GLU A 74 0.343 11.849 -3.515 1.00 0.90 H new ATOM 716 N PHE A 75 2.566 9.931 -3.679 1.00 0.80 N ATOM 717 CA PHE A 75 2.382 8.685 -2.947 1.00 0.79 C ATOM 718 C PHE A 75 3.379 7.634 -3.415 1.00 0.66 C ATOM 719 O PHE A 75 4.300 7.270 -2.683 1.00 0.66 O ATOM 720 CB PHE A 75 0.948 8.177 -3.105 1.00 0.87 C ATOM 721 CG PHE A 75 0.626 6.996 -2.231 1.00 1.53 C ATOM 722 CD1 PHE A 75 0.069 5.850 -2.768 1.00 2.26 C ATOM 723 CD2 PHE A 75 0.884 7.035 -0.870 1.00 1.74 C ATOM 724 CE1 PHE A 75 -0.229 4.764 -1.966 1.00 3.20 C ATOM 725 CE2 PHE A 75 0.590 5.954 -0.065 1.00 2.61 C ATOM 726 CZ PHE A 75 0.033 4.816 -0.614 1.00 3.36 C ATOM 0 H PHE A 75 2.400 9.866 -4.683 1.00 0.80 H new ATOM 0 HA PHE A 75 2.563 8.879 -1.890 1.00 0.79 H new ATOM 0 HB2 PHE A 75 0.257 8.988 -2.874 1.00 0.87 H new ATOM 0 HB3 PHE A 75 0.782 7.903 -4.147 1.00 0.87 H new ATOM 0 HD1 PHE A 75 -0.136 5.803 -3.827 1.00 2.26 H new ATOM 0 HD2 PHE A 75 1.320 7.922 -0.435 1.00 1.74 H new ATOM 0 HE1 PHE A 75 -0.666 3.876 -2.398 1.00 3.20 H new ATOM 0 HE2 PHE A 75 0.795 5.998 0.994 1.00 2.61 H new ATOM 0 HZ PHE A 75 -0.197 3.969 0.015 1.00 3.36 H new ATOM 736 N TYR A 76 3.207 7.161 -4.643 1.00 0.59 N ATOM 737 CA TYR A 76 4.138 6.200 -5.225 1.00 0.50 C ATOM 738 C TYR A 76 5.519 6.832 -5.364 1.00 0.47 C ATOM 739 O TYR A 76 6.539 6.170 -5.185 1.00 0.49 O ATOM 740 CB TYR A 76 3.634 5.718 -6.589 1.00 0.51 C ATOM 741 CG TYR A 76 4.516 4.670 -7.237 1.00 0.49 C ATOM 742 CD1 TYR A 76 5.169 4.925 -8.439 1.00 0.58 C ATOM 743 CD2 TYR A 76 4.695 3.427 -6.647 1.00 0.51 C ATOM 744 CE1 TYR A 76 5.971 3.967 -9.032 1.00 0.66 C ATOM 745 CE2 TYR A 76 5.494 2.465 -7.232 1.00 0.59 C ATOM 746 CZ TYR A 76 6.130 2.738 -8.424 1.00 0.65 C ATOM 747 OH TYR A 76 6.929 1.780 -9.007 1.00 0.79 O ATOM 0 H TYR A 76 2.434 7.425 -5.254 1.00 0.59 H new ATOM 0 HA TYR A 76 4.208 5.337 -4.562 1.00 0.50 H new ATOM 0 HB2 TYR A 76 2.630 5.310 -6.471 1.00 0.51 H new ATOM 0 HB3 TYR A 76 3.553 6.574 -7.258 1.00 0.51 H new ATOM 0 HD1 TYR A 76 5.048 5.886 -8.916 1.00 0.58 H new ATOM 0 HD2 TYR A 76 4.200 3.208 -5.712 1.00 0.51 H new ATOM 0 HE1 TYR A 76 6.470 4.179 -9.966 1.00 0.66 H new ATOM 0 HE2 TYR A 76 5.620 1.503 -6.758 1.00 0.59 H new ATOM 0 HH TYR A 76 6.622 0.889 -8.736 1.00 0.79 H new ATOM 757 N GLY A 77 5.532 8.125 -5.666 1.00 0.48 N ATOM 758 CA GLY A 77 6.775 8.865 -5.751 1.00 0.50 C ATOM 759 C GLY A 77 7.526 8.868 -4.437 1.00 0.52 C ATOM 760 O GLY A 77 8.748 8.779 -4.421 1.00 0.60 O ATOM 0 H GLY A 77 4.695 8.677 -5.855 1.00 0.48 H new ATOM 0 HA2 GLY A 77 7.404 8.428 -6.527 1.00 0.50 H new ATOM 0 HA3 GLY A 77 6.565 9.892 -6.051 1.00 0.50 H new ATOM 764 N LYS A 78 6.792 8.953 -3.330 1.00 0.53 N ATOM 765 CA LYS A 78 7.395 8.908 -2.001 1.00 0.60 C ATOM 766 C LYS A 78 7.892 7.506 -1.692 1.00 0.59 C ATOM 767 O LYS A 78 8.956 7.326 -1.097 1.00 0.66 O ATOM 768 CB LYS A 78 6.389 9.351 -0.935 1.00 0.69 C ATOM 769 CG LYS A 78 6.125 10.846 -0.925 1.00 0.77 C ATOM 770 CD LYS A 78 7.319 11.615 -0.385 1.00 1.17 C ATOM 771 CE LYS A 78 7.085 13.113 -0.435 1.00 1.41 C ATOM 772 NZ LYS A 78 8.180 13.864 0.229 1.00 2.09 N ATOM 0 H LYS A 78 5.777 9.054 -3.328 1.00 0.53 H new ATOM 0 HA LYS A 78 8.241 9.595 -1.989 1.00 0.60 H new ATOM 0 HB2 LYS A 78 5.447 8.826 -1.097 1.00 0.69 H new ATOM 0 HB3 LYS A 78 6.757 9.050 0.046 1.00 0.69 H new ATOM 0 HG2 LYS A 78 5.899 11.184 -1.936 1.00 0.77 H new ATOM 0 HG3 LYS A 78 5.247 11.058 -0.315 1.00 0.77 H new ATOM 0 HD2 LYS A 78 7.514 11.310 0.643 1.00 1.17 H new ATOM 0 HD3 LYS A 78 8.207 11.365 -0.966 1.00 1.17 H new ATOM 0 HE2 LYS A 78 7.002 13.434 -1.473 1.00 1.41 H new ATOM 0 HE3 LYS A 78 6.137 13.349 0.048 1.00 1.41 H new ATOM 0 HZ1 LYS A 78 7.984 14.884 0.174 1.00 2.09 H new ATOM 0 HZ2 LYS A 78 8.243 13.577 1.227 1.00 2.09 H new ATOM 0 HZ3 LYS A 78 9.081 13.658 -0.248 1.00 2.09 H new ATOM 786 N PHE A 79 7.122 6.516 -2.114 1.00 0.52 N ATOM 787 CA PHE A 79 7.502 5.122 -1.953 1.00 0.50 C ATOM 788 C PHE A 79 8.807 4.840 -2.693 1.00 0.51 C ATOM 789 O PHE A 79 9.659 4.090 -2.220 1.00 0.56 O ATOM 790 CB PHE A 79 6.379 4.222 -2.472 1.00 0.48 C ATOM 791 CG PHE A 79 6.662 2.757 -2.338 1.00 0.51 C ATOM 792 CD1 PHE A 79 6.577 2.132 -1.106 1.00 0.62 C ATOM 793 CD2 PHE A 79 7.012 2.003 -3.446 1.00 0.53 C ATOM 794 CE1 PHE A 79 6.836 0.784 -0.982 1.00 0.67 C ATOM 795 CE2 PHE A 79 7.272 0.654 -3.328 1.00 0.61 C ATOM 796 CZ PHE A 79 7.183 0.044 -2.094 1.00 0.65 C ATOM 0 H PHE A 79 6.222 6.654 -2.575 1.00 0.52 H new ATOM 0 HA PHE A 79 7.661 4.912 -0.895 1.00 0.50 H new ATOM 0 HB2 PHE A 79 5.461 4.455 -1.932 1.00 0.48 H new ATOM 0 HB3 PHE A 79 6.198 4.452 -3.522 1.00 0.48 H new ATOM 0 HD1 PHE A 79 6.305 2.706 -0.233 1.00 0.62 H new ATOM 0 HD2 PHE A 79 7.082 2.477 -4.414 1.00 0.53 H new ATOM 0 HE1 PHE A 79 6.767 0.307 -0.015 1.00 0.67 H new ATOM 0 HE2 PHE A 79 7.545 0.077 -4.199 1.00 0.61 H new ATOM 0 HZ PHE A 79 7.385 -1.013 -1.998 1.00 0.65 H new ATOM 806 N LYS A 80 8.964 5.470 -3.844 1.00 0.51 N ATOM 807 CA LYS A 80 10.175 5.319 -4.643 1.00 0.58 C ATOM 808 C LYS A 80 11.262 6.261 -4.151 1.00 0.63 C ATOM 809 O LYS A 80 12.449 6.037 -4.391 1.00 0.66 O ATOM 810 CB LYS A 80 9.882 5.601 -6.117 1.00 0.64 C ATOM 811 CG LYS A 80 8.875 4.646 -6.732 1.00 0.69 C ATOM 812 CD LYS A 80 9.375 3.207 -6.728 1.00 0.72 C ATOM 813 CE LYS A 80 10.601 3.036 -7.615 1.00 0.93 C ATOM 814 NZ LYS A 80 10.964 1.606 -7.805 1.00 1.09 N ATOM 0 H LYS A 80 8.267 6.094 -4.250 1.00 0.51 H new ATOM 0 HA LYS A 80 10.522 4.291 -4.538 1.00 0.58 H new ATOM 0 HB2 LYS A 80 9.510 6.621 -6.216 1.00 0.64 H new ATOM 0 HB3 LYS A 80 10.813 5.546 -6.681 1.00 0.64 H new ATOM 0 HG2 LYS A 80 7.936 4.705 -6.181 1.00 0.69 H new ATOM 0 HG3 LYS A 80 8.663 4.953 -7.756 1.00 0.69 H new ATOM 0 HD2 LYS A 80 9.619 2.909 -5.708 1.00 0.72 H new ATOM 0 HD3 LYS A 80 8.581 2.545 -7.072 1.00 0.72 H new ATOM 0 HE2 LYS A 80 10.411 3.493 -8.586 1.00 0.93 H new ATOM 0 HE3 LYS A 80 11.444 3.567 -7.173 1.00 0.93 H new ATOM 0 HZ1 LYS A 80 11.977 1.476 -7.607 1.00 1.09 H new ATOM 0 HZ2 LYS A 80 10.406 1.017 -7.155 1.00 1.09 H new ATOM 0 HZ3 LYS A 80 10.764 1.324 -8.786 1.00 1.09 H new ATOM 828 N GLU A 81 10.845 7.303 -3.445 1.00 0.67 N ATOM 829 CA GLU A 81 11.761 8.314 -2.939 1.00 0.78 C ATOM 830 C GLU A 81 12.632 7.715 -1.847 1.00 0.67 C ATOM 831 O GLU A 81 13.813 8.041 -1.722 1.00 0.70 O ATOM 832 CB GLU A 81 10.970 9.510 -2.397 1.00 0.94 C ATOM 833 CG GLU A 81 11.419 10.852 -2.950 1.00 1.25 C ATOM 834 CD GLU A 81 12.752 11.296 -2.392 1.00 1.57 C ATOM 835 OE1 GLU A 81 13.757 11.216 -3.127 1.00 2.07 O ATOM 836 OE2 GLU A 81 12.806 11.706 -1.216 1.00 2.04 O ATOM 0 H GLU A 81 9.867 7.470 -3.208 1.00 0.67 H new ATOM 0 HA GLU A 81 12.402 8.660 -3.750 1.00 0.78 H new ATOM 0 HB2 GLU A 81 9.914 9.369 -2.628 1.00 0.94 H new ATOM 0 HB3 GLU A 81 11.059 9.529 -1.311 1.00 0.94 H new ATOM 0 HG2 GLU A 81 11.487 10.788 -4.036 1.00 1.25 H new ATOM 0 HG3 GLU A 81 10.665 11.605 -2.722 1.00 1.25 H new ATOM 843 N GLY A 82 12.037 6.826 -1.065 1.00 0.62 N ATOM 844 CA GLY A 82 12.781 6.125 -0.044 1.00 0.62 C ATOM 845 C GLY A 82 13.774 5.155 -0.646 1.00 0.62 C ATOM 846 O GLY A 82 14.876 4.988 -0.129 1.00 0.72 O ATOM 0 H GLY A 82 11.049 6.578 -1.121 1.00 0.62 H new ATOM 0 HA2 GLY A 82 13.308 6.845 0.582 1.00 0.62 H new ATOM 0 HA3 GLY A 82 12.091 5.585 0.604 1.00 0.62 H new ATOM 850 N VAL A 83 13.382 4.523 -1.749 1.00 0.58 N ATOM 851 CA VAL A 83 14.251 3.591 -2.458 1.00 0.66 C ATOM 852 C VAL A 83 15.470 4.323 -3.010 1.00 0.73 C ATOM 853 O VAL A 83 16.610 3.930 -2.756 1.00 0.85 O ATOM 854 CB VAL A 83 13.611 3.002 -3.459 1.00 0.68 C ATOM 855 CG1 VAL A 83 14.484 1.932 -4.102 1.00 0.83 C ATOM 856 CG2 VAL A 83 12.292 2.403 -3.001 1.00 0.65 C ATOM 0 H VAL A 83 12.462 4.641 -2.173 1.00 0.58 H new ATOM 0 HA VAL A 83 14.567 2.829 -1.746 1.00 0.66 H new ATOM 0 HB VAL A 83 13.391 3.768 -4.203 1.00 0.68 H new ATOM 0 HG11 VAL A 83 13.939 1.462 -4.921 1.00 0.83 H new ATOM 0 HG12 VAL A 83 15.395 2.389 -4.488 1.00 0.83 H new ATOM 0 HG13 VAL A 83 14.743 1.178 -3.358 1.00 0.83 H new ATOM 0 HG21 VAL A 83 11.795 1.929 -3.847 1.00 0.65 H new ATOM 0 HG22 VAL A 83 12.480 1.659 -2.227 1.00 0.65 H new ATOM 0 HG23 VAL A 83 11.654 3.191 -2.600 1.00 0.65 H new ATOM 866 N ALA A 84 15.215 5.410 -3.733 1.00 0.70 N ATOM 867 CA ALA A 84 16.282 6.238 -4.290 1.00 0.81 C ATOM 868 C ALA A 84 17.218 6.743 -3.193 1.00 0.92 C ATOM 869 O ALA A 84 18.426 6.869 -3.396 1.00 1.14 O ATOM 870 CB ALA A 84 15.687 7.406 -5.062 1.00 0.85 C ATOM 0 H ALA A 84 14.274 5.740 -3.948 1.00 0.70 H new ATOM 0 HA ALA A 84 16.869 5.624 -4.973 1.00 0.81 H new ATOM 0 HB1 ALA A 84 16.490 8.017 -5.473 1.00 0.85 H new ATOM 0 HB2 ALA A 84 15.067 7.027 -5.874 1.00 0.85 H new ATOM 0 HB3 ALA A 84 15.077 8.012 -4.392 1.00 0.85 H new ATOM 876 N SER A 85 16.646 7.030 -2.032 1.00 0.92 N ATOM 877 CA SER A 85 17.416 7.424 -0.862 1.00 1.12 C ATOM 878 C SER A 85 18.285 6.261 -0.390 1.00 1.16 C ATOM 879 O SER A 85 19.508 6.270 -0.537 1.00 1.40 O ATOM 880 CB SER A 85 16.461 7.840 0.251 1.00 1.38 C ATOM 881 OG SER A 85 17.151 8.370 1.372 1.00 1.82 O ATOM 0 H SER A 85 15.639 6.996 -1.875 1.00 0.92 H new ATOM 0 HA SER A 85 18.063 8.262 -1.121 1.00 1.12 H new ATOM 0 HB2 SER A 85 15.762 8.585 -0.130 1.00 1.38 H new ATOM 0 HB3 SER A 85 15.870 6.979 0.563 1.00 1.38 H new ATOM 0 HG SER A 85 16.505 8.626 2.063 1.00 1.82 H new ATOM 887 N GLY A 86 17.624 5.265 0.166 1.00 1.12 N ATOM 888 CA GLY A 86 18.276 4.072 0.651 1.00 1.47 C ATOM 889 C GLY A 86 17.234 3.017 0.906 1.00 1.35 C ATOM 890 O GLY A 86 17.230 1.971 0.266 1.00 1.65 O ATOM 0 H GLY A 86 16.612 5.264 0.293 1.00 1.12 H new ATOM 0 HA2 GLY A 86 19.002 3.716 -0.080 1.00 1.47 H new ATOM 0 HA3 GLY A 86 18.825 4.289 1.567 1.00 1.47 H new ATOM 894 N ASN A 87 16.345 3.331 1.842 1.00 1.30 N ATOM 895 CA ASN A 87 15.109 2.590 2.072 1.00 1.28 C ATOM 896 C ASN A 87 14.157 3.467 2.860 1.00 0.81 C ATOM 897 O ASN A 87 14.569 4.494 3.399 1.00 1.19 O ATOM 898 CB ASN A 87 15.329 1.254 2.791 1.00 1.94 C ATOM 899 CG ASN A 87 15.665 0.106 1.849 1.00 2.79 C ATOM 900 OD1 ASN A 87 16.346 -0.840 2.235 1.00 3.50 O ATOM 901 ND2 ASN A 87 15.184 0.160 0.612 1.00 3.16 N ATOM 0 H ASN A 87 16.465 4.122 2.474 1.00 1.30 H new ATOM 0 HA ASN A 87 14.685 2.339 1.100 1.00 1.28 H new ATOM 0 HB2 ASN A 87 16.136 1.368 3.514 1.00 1.94 H new ATOM 0 HB3 ASN A 87 14.430 1.001 3.354 1.00 1.94 H new ATOM 0 HD21 ASN A 87 15.378 -0.597 -0.044 1.00 3.16 H new ATOM 0 HD22 ASN A 87 14.621 0.958 0.318 1.00 3.16 H new ATOM 908 N LEU A 88 12.895 3.082 2.944 1.00 0.61 N ATOM 909 CA LEU A 88 11.903 3.990 3.455 1.00 0.75 C ATOM 910 C LEU A 88 11.139 3.378 4.599 1.00 0.56 C ATOM 911 O LEU A 88 11.029 2.156 4.717 1.00 1.00 O ATOM 912 CB LEU A 88 10.948 4.540 2.359 1.00 1.61 C ATOM 913 CG LEU A 88 10.267 3.551 1.378 1.00 2.22 C ATOM 914 CD1 LEU A 88 11.268 2.911 0.433 1.00 2.96 C ATOM 915 CD2 LEU A 88 9.472 2.479 2.106 1.00 2.90 C ATOM 0 H LEU A 88 12.545 2.164 2.669 1.00 0.61 H new ATOM 0 HA LEU A 88 12.449 4.854 3.835 1.00 0.75 H new ATOM 0 HB2 LEU A 88 10.158 5.097 2.863 1.00 1.61 H new ATOM 0 HB3 LEU A 88 11.513 5.256 1.762 1.00 1.61 H new ATOM 0 HG LEU A 88 9.570 4.143 0.786 1.00 2.22 H new ATOM 0 HD11 LEU A 88 10.749 2.225 -0.237 1.00 2.96 H new ATOM 0 HD12 LEU A 88 11.762 3.686 -0.153 1.00 2.96 H new ATOM 0 HD13 LEU A 88 12.012 2.361 1.009 1.00 2.96 H new ATOM 0 HD21 LEU A 88 9.013 1.809 1.379 1.00 2.90 H new ATOM 0 HD22 LEU A 88 10.138 1.909 2.754 1.00 2.90 H new ATOM 0 HD23 LEU A 88 8.694 2.949 2.708 1.00 2.90 H new ATOM 927 N ASN A 89 10.654 4.249 5.453 1.00 0.54 N ATOM 928 CA ASN A 89 9.866 3.854 6.592 1.00 0.47 C ATOM 929 C ASN A 89 9.141 5.058 7.133 1.00 0.59 C ATOM 930 O ASN A 89 9.067 5.293 8.336 1.00 0.97 O ATOM 931 CB ASN A 89 10.736 3.169 7.645 1.00 0.50 C ATOM 932 CG ASN A 89 11.889 4.020 8.168 1.00 1.31 C ATOM 933 OD1 ASN A 89 11.833 5.251 8.195 1.00 2.24 O ATOM 934 ND2 ASN A 89 12.958 3.359 8.582 1.00 1.82 N ATOM 0 H ASN A 89 10.797 5.256 5.375 1.00 0.54 H new ATOM 0 HA ASN A 89 9.120 3.119 6.289 1.00 0.47 H new ATOM 0 HB2 ASN A 89 10.105 2.879 8.485 1.00 0.50 H new ATOM 0 HB3 ASN A 89 11.143 2.251 7.220 1.00 0.50 H new ATOM 0 HD21 ASN A 89 13.767 3.869 8.937 1.00 1.82 H new ATOM 0 HD22 ASN A 89 12.973 2.340 8.547 1.00 1.82 H new ATOM 941 N THR A 90 8.543 5.777 6.210 1.00 0.51 N ATOM 942 CA THR A 90 7.902 7.025 6.512 1.00 0.61 C ATOM 943 C THR A 90 6.396 6.863 6.583 1.00 0.53 C ATOM 944 O THR A 90 5.844 5.829 6.204 1.00 0.51 O ATOM 945 CB THR A 90 8.199 7.928 5.600 1.00 0.75 C ATOM 946 OG1 THR A 90 8.148 7.329 4.292 1.00 1.63 O ATOM 947 CG2 THR A 90 9.572 8.529 5.840 1.00 1.39 C ATOM 0 H THR A 90 8.491 5.507 5.228 1.00 0.51 H new ATOM 0 HA THR A 90 8.267 7.356 7.484 1.00 0.61 H new ATOM 0 HB THR A 90 7.466 8.732 5.666 1.00 0.75 H new ATOM 0 HG1 THR A 90 7.301 6.848 4.185 1.00 1.63 H new ATOM 0 HG21 THR A 90 9.785 9.270 5.069 1.00 1.39 H new ATOM 0 HG22 THR A 90 9.594 9.007 6.819 1.00 1.39 H new ATOM 0 HG23 THR A 90 10.325 7.742 5.804 1.00 1.39 H new ATOM 955 N MET A 91 5.754 7.857 7.142 1.00 0.55 N ATOM 956 CA MET A 91 4.305 7.905 7.206 1.00 0.51 C ATOM 957 C MET A 91 3.789 9.103 6.413 1.00 0.57 C ATOM 958 O MET A 91 4.222 10.237 6.624 1.00 0.75 O ATOM 959 CB MET A 91 3.817 7.967 8.664 1.00 0.60 C ATOM 960 CG MET A 91 4.286 9.193 9.444 1.00 1.14 C ATOM 961 SD MET A 91 6.067 9.205 9.752 1.00 1.61 S ATOM 962 CE MET A 91 6.245 7.768 10.803 1.00 1.77 C ATOM 0 H MET A 91 6.217 8.660 7.568 1.00 0.55 H new ATOM 0 HA MET A 91 3.909 6.991 6.763 1.00 0.51 H new ATOM 0 HB2 MET A 91 2.727 7.946 8.669 1.00 0.60 H new ATOM 0 HB3 MET A 91 4.156 7.071 9.184 1.00 0.60 H new ATOM 0 HG2 MET A 91 4.014 10.093 8.892 1.00 1.14 H new ATOM 0 HG3 MET A 91 3.759 9.232 10.397 1.00 1.14 H new ATOM 0 HE1 MET A 91 7.173 7.845 11.370 1.00 1.77 H new ATOM 0 HE2 MET A 91 5.402 7.715 11.492 1.00 1.77 H new ATOM 0 HE3 MET A 91 6.269 6.868 10.188 1.00 1.77 H new ATOM 972 N PHE A 92 2.895 8.841 5.477 1.00 0.49 N ATOM 973 CA PHE A 92 2.296 9.900 4.677 1.00 0.55 C ATOM 974 C PHE A 92 0.788 9.915 4.889 1.00 0.48 C ATOM 975 O PHE A 92 0.205 8.913 5.297 1.00 0.47 O ATOM 976 CB PHE A 92 2.622 9.674 3.196 1.00 0.72 C ATOM 977 CG PHE A 92 2.307 10.837 2.296 1.00 1.04 C ATOM 978 CD1 PHE A 92 1.209 10.805 1.455 1.00 1.25 C ATOM 979 CD2 PHE A 92 3.110 11.966 2.303 1.00 1.83 C ATOM 980 CE1 PHE A 92 0.917 11.877 0.635 1.00 2.19 C ATOM 981 CE2 PHE A 92 2.823 13.041 1.484 1.00 2.86 C ATOM 982 CZ PHE A 92 1.727 12.972 0.617 1.00 3.01 C ATOM 0 H PHE A 92 2.566 7.903 5.250 1.00 0.49 H new ATOM 0 HA PHE A 92 2.704 10.863 4.986 1.00 0.55 H new ATOM 0 HB2 PHE A 92 3.682 9.438 3.104 1.00 0.72 H new ATOM 0 HB3 PHE A 92 2.070 8.802 2.846 1.00 0.72 H new ATOM 0 HD1 PHE A 92 0.573 9.932 1.440 1.00 1.25 H new ATOM 0 HD2 PHE A 92 3.970 12.006 2.956 1.00 1.83 H new ATOM 0 HE1 PHE A 92 0.041 11.847 0.004 1.00 2.19 H new ATOM 0 HE2 PHE A 92 3.440 13.927 1.513 1.00 2.86 H new ATOM 0 HZ PHE A 92 1.524 13.785 -0.065 1.00 3.01 H new ATOM 992 N GLU A 93 0.164 11.047 4.621 1.00 0.48 N ATOM 993 CA GLU A 93 -1.284 11.153 4.708 1.00 0.47 C ATOM 994 C GLU A 93 -1.879 11.154 3.312 1.00 0.45 C ATOM 995 O GLU A 93 -1.703 12.106 2.547 1.00 0.53 O ATOM 996 CB GLU A 93 -1.719 12.414 5.463 1.00 0.58 C ATOM 997 CG GLU A 93 -1.586 12.320 6.978 1.00 1.30 C ATOM 998 CD GLU A 93 -0.151 12.323 7.455 1.00 1.73 C ATOM 999 OE1 GLU A 93 0.363 11.251 7.828 1.00 2.39 O ATOM 1000 OE2 GLU A 93 0.471 13.404 7.477 1.00 2.04 O ATOM 0 H GLU A 93 0.635 11.907 4.341 1.00 0.48 H new ATOM 0 HA GLU A 93 -1.651 10.292 5.267 1.00 0.47 H new ATOM 0 HB2 GLU A 93 -1.125 13.257 5.110 1.00 0.58 H new ATOM 0 HB3 GLU A 93 -2.758 12.631 5.215 1.00 0.58 H new ATOM 0 HG2 GLU A 93 -2.115 13.157 7.435 1.00 1.30 H new ATOM 0 HG3 GLU A 93 -2.074 11.408 7.323 1.00 1.30 H new ATOM 1007 N TYR A 94 -2.576 10.083 2.982 1.00 0.44 N ATOM 1008 CA TYR A 94 -3.112 9.904 1.645 1.00 0.51 C ATOM 1009 C TYR A 94 -4.546 9.400 1.738 1.00 0.42 C ATOM 1010 O TYR A 94 -4.883 8.634 2.640 1.00 0.40 O ATOM 1011 CB TYR A 94 -2.240 8.912 0.868 1.00 0.69 C ATOM 1012 CG TYR A 94 -2.364 9.018 -0.639 1.00 1.24 C ATOM 1013 CD1 TYR A 94 -3.001 8.022 -1.369 1.00 2.16 C ATOM 1014 CD2 TYR A 94 -1.867 10.119 -1.329 1.00 1.19 C ATOM 1015 CE1 TYR A 94 -3.138 8.118 -2.741 1.00 2.86 C ATOM 1016 CE2 TYR A 94 -1.998 10.218 -2.704 1.00 1.83 C ATOM 1017 CZ TYR A 94 -2.546 9.206 -3.411 1.00 2.64 C ATOM 1018 OH TYR A 94 -2.783 9.314 -4.771 1.00 3.37 O ATOM 0 H TYR A 94 -2.785 9.320 3.625 1.00 0.44 H new ATOM 0 HA TYR A 94 -3.108 10.857 1.116 1.00 0.51 H new ATOM 0 HB2 TYR A 94 -1.198 9.067 1.147 1.00 0.69 H new ATOM 0 HB3 TYR A 94 -2.504 7.899 1.172 1.00 0.69 H new ATOM 0 HD1 TYR A 94 -3.396 7.158 -0.855 1.00 2.16 H new ATOM 0 HD2 TYR A 94 -1.371 10.909 -0.784 1.00 1.19 H new ATOM 0 HE1 TYR A 94 -3.690 7.370 -3.291 1.00 2.86 H new ATOM 0 HE2 TYR A 94 -1.660 11.108 -3.213 1.00 1.83 H new ATOM 0 HH TYR A 94 -3.381 8.592 -5.057 1.00 3.37 H new ATOM 1028 N THR A 95 -5.392 9.841 0.828 1.00 0.46 N ATOM 1029 CA THR A 95 -6.781 9.431 0.845 1.00 0.46 C ATOM 1030 C THR A 95 -7.077 8.411 -0.248 1.00 0.47 C ATOM 1031 O THR A 95 -6.349 8.311 -1.237 1.00 0.60 O ATOM 1032 CB THR A 95 -7.588 10.467 0.721 1.00 0.59 C ATOM 1033 OG1 THR A 95 -7.078 11.369 -0.278 1.00 1.40 O ATOM 1034 CG2 THR A 95 -7.756 11.204 2.043 1.00 1.09 C ATOM 0 H THR A 95 -5.144 10.479 0.072 1.00 0.46 H new ATOM 0 HA THR A 95 -6.961 8.962 1.812 1.00 0.46 H new ATOM 0 HB THR A 95 -8.566 10.095 0.415 1.00 0.59 H new ATOM 0 HG1 THR A 95 -7.683 12.135 -0.366 1.00 1.40 H new ATOM 0 HG21 THR A 95 -8.427 12.052 1.904 1.00 1.09 H new ATOM 0 HG22 THR A 95 -8.176 10.527 2.786 1.00 1.09 H new ATOM 0 HG23 THR A 95 -6.785 11.562 2.386 1.00 1.09 H new ATOM 1042 N PHE A 96 -8.112 7.614 -0.031 1.00 0.43 N ATOM 1043 CA PHE A 96 -8.535 6.631 -1.014 1.00 0.53 C ATOM 1044 C PHE A 96 -9.929 6.971 -1.507 1.00 0.62 C ATOM 1045 O PHE A 96 -10.913 6.778 -0.797 1.00 0.78 O ATOM 1046 CB PHE A 96 -8.514 5.224 -0.416 1.00 0.69 C ATOM 1047 CG PHE A 96 -7.145 4.754 -0.006 1.00 0.74 C ATOM 1048 CD1 PHE A 96 -6.095 4.770 -0.909 1.00 0.69 C ATOM 1049 CD2 PHE A 96 -6.908 4.301 1.283 1.00 1.03 C ATOM 1050 CE1 PHE A 96 -4.834 4.346 -0.534 1.00 0.82 C ATOM 1051 CE2 PHE A 96 -5.650 3.875 1.662 1.00 1.18 C ATOM 1052 CZ PHE A 96 -4.619 3.874 0.750 1.00 1.03 C ATOM 0 H PHE A 96 -8.675 7.630 0.819 1.00 0.43 H new ATOM 0 HA PHE A 96 -7.841 6.653 -1.854 1.00 0.53 H new ATOM 0 HB2 PHE A 96 -9.171 5.200 0.454 1.00 0.69 H new ATOM 0 HB3 PHE A 96 -8.924 4.525 -1.144 1.00 0.69 H new ATOM 0 HD1 PHE A 96 -6.263 5.118 -1.918 1.00 0.69 H new ATOM 0 HD2 PHE A 96 -7.716 4.281 1.999 1.00 1.03 H new ATOM 0 HE1 PHE A 96 -4.018 4.383 -1.241 1.00 0.82 H new ATOM 0 HE2 PHE A 96 -5.475 3.542 2.675 1.00 1.18 H new ATOM 0 HZ PHE A 96 -3.645 3.506 1.035 1.00 1.03 H new ATOM 1062 N ASP A 97 -9.997 7.502 -2.715 1.00 0.66 N ATOM 1063 CA ASP A 97 -11.261 7.924 -3.299 1.00 0.88 C ATOM 1064 C ASP A 97 -11.297 7.578 -4.778 1.00 0.95 C ATOM 1065 O ASP A 97 -10.719 8.291 -5.599 1.00 1.74 O ATOM 1066 CB ASP A 97 -11.445 9.430 -3.108 1.00 1.17 C ATOM 1067 CG ASP A 97 -12.711 9.955 -3.752 1.00 1.83 C ATOM 1068 OD1 ASP A 97 -12.605 10.715 -4.739 1.00 2.18 O ATOM 1069 OD2 ASP A 97 -13.811 9.629 -3.268 1.00 2.57 O ATOM 0 H ASP A 97 -9.186 7.653 -3.315 1.00 0.66 H new ATOM 0 HA ASP A 97 -12.074 7.400 -2.797 1.00 0.88 H new ATOM 0 HB2 ASP A 97 -11.465 9.656 -2.042 1.00 1.17 H new ATOM 0 HB3 ASP A 97 -10.586 9.952 -3.529 1.00 1.17 H new ATOM 1074 N TYR A 98 -11.951 6.463 -5.099 1.00 1.21 N ATOM 1075 CA TYR A 98 -12.051 5.974 -6.476 1.00 1.30 C ATOM 1076 C TYR A 98 -12.737 4.607 -6.498 1.00 1.26 C ATOM 1077 O TYR A 98 -13.872 4.478 -6.948 1.00 2.02 O ATOM 1078 CB TYR A 98 -10.663 5.871 -7.122 1.00 1.57 C ATOM 1079 CG TYR A 98 -10.685 5.535 -8.595 1.00 1.79 C ATOM 1080 CD1 TYR A 98 -10.510 4.227 -9.031 1.00 1.70 C ATOM 1081 CD2 TYR A 98 -10.888 6.520 -9.545 1.00 2.36 C ATOM 1082 CE1 TYR A 98 -10.540 3.918 -10.378 1.00 2.13 C ATOM 1083 CE2 TYR A 98 -10.917 6.221 -10.890 1.00 2.79 C ATOM 1084 CZ TYR A 98 -10.705 4.913 -11.303 1.00 2.67 C ATOM 1085 OH TYR A 98 -10.773 4.623 -12.648 1.00 3.21 O ATOM 0 H TYR A 98 -12.426 5.874 -4.415 1.00 1.21 H new ATOM 0 HA TYR A 98 -12.646 6.685 -7.049 1.00 1.30 H new ATOM 0 HB2 TYR A 98 -10.141 6.818 -6.985 1.00 1.57 H new ATOM 0 HB3 TYR A 98 -10.086 5.110 -6.596 1.00 1.57 H new ATOM 0 HD1 TYR A 98 -10.348 3.441 -8.308 1.00 1.70 H new ATOM 0 HD2 TYR A 98 -11.026 7.543 -9.227 1.00 2.36 H new ATOM 0 HE1 TYR A 98 -10.433 2.893 -10.700 1.00 2.13 H new ATOM 0 HE2 TYR A 98 -11.103 6.998 -11.617 1.00 2.79 H new ATOM 0 HH TYR A 98 -10.893 5.453 -13.156 1.00 3.21 H new ATOM 1095 N GLN A 99 -12.034 3.585 -6.017 1.00 1.11 N ATOM 1096 CA GLN A 99 -12.625 2.256 -5.855 1.00 1.70 C ATOM 1097 C GLN A 99 -12.972 2.035 -4.392 1.00 1.80 C ATOM 1098 O GLN A 99 -13.423 0.967 -3.984 1.00 2.28 O ATOM 1099 CB GLN A 99 -11.674 1.167 -6.361 1.00 2.11 C ATOM 1100 CG GLN A 99 -11.520 1.166 -7.873 1.00 2.28 C ATOM 1101 CD GLN A 99 -12.833 0.898 -8.588 1.00 2.65 C ATOM 1102 OE1 GLN A 99 -13.598 1.948 -8.849 1.00 3.23 O flip ATOM 1103 NE2 GLN A 99 -13.165 -0.246 -8.889 1.00 2.81 N flip ATOM 0 H GLN A 99 -11.057 3.649 -5.733 1.00 1.11 H new ATOM 0 HA GLN A 99 -13.535 2.197 -6.451 1.00 1.70 H new ATOM 0 HB2 GLN A 99 -10.695 1.306 -5.902 1.00 2.11 H new ATOM 0 HB3 GLN A 99 -12.042 0.193 -6.039 1.00 2.11 H new ATOM 0 HG2 GLN A 99 -11.123 2.129 -8.196 1.00 2.28 H new ATOM 0 HG3 GLN A 99 -10.791 0.408 -8.161 1.00 2.28 H new ATOM 0 HE21 GLN A 99 -12.549 -1.030 -8.672 1.00 2.81 H new ATOM 0 HE22 GLN A 99 -14.056 -0.412 -9.356 1.00 2.81 H new ATOM 1112 N MET A 100 -12.761 3.082 -3.626 1.00 1.50 N ATOM 1113 CA MET A 100 -13.073 3.106 -2.213 1.00 1.55 C ATOM 1114 C MET A 100 -13.701 4.444 -1.897 1.00 1.40 C ATOM 1115 O MET A 100 -13.276 5.459 -2.452 1.00 1.30 O ATOM 1116 CB MET A 100 -11.794 2.913 -1.390 1.00 1.54 C ATOM 1117 CG MET A 100 -12.016 2.899 0.115 1.00 1.64 C ATOM 1118 SD MET A 100 -13.146 1.598 0.648 1.00 2.37 S ATOM 1119 CE MET A 100 -12.277 0.138 0.078 1.00 2.85 C ATOM 0 H MET A 100 -12.362 3.955 -3.972 1.00 1.50 H new ATOM 0 HA MET A 100 -13.762 2.299 -1.963 1.00 1.55 H new ATOM 0 HB2 MET A 100 -11.324 1.975 -1.685 1.00 1.54 H new ATOM 0 HB3 MET A 100 -11.094 3.712 -1.635 1.00 1.54 H new ATOM 0 HG2 MET A 100 -11.057 2.768 0.617 1.00 1.64 H new ATOM 0 HG3 MET A 100 -12.410 3.866 0.428 1.00 1.64 H new ATOM 0 HE1 MET A 100 -12.711 -0.748 0.541 1.00 2.85 H new ATOM 0 HE2 MET A 100 -12.366 0.061 -1.006 1.00 2.85 H new ATOM 0 HE3 MET A 100 -11.224 0.211 0.351 1.00 2.85 H new ATOM 1129 N THR A 101 -14.730 4.454 -1.061 1.00 1.46 N ATOM 1130 CA THR A 101 -15.270 5.710 -0.593 1.00 1.40 C ATOM 1131 C THR A 101 -14.196 6.449 0.189 1.00 1.14 C ATOM 1132 O THR A 101 -13.362 5.810 0.832 1.00 1.13 O ATOM 1133 CB THR A 101 -16.359 5.545 0.138 1.00 1.54 C ATOM 1134 OG1 THR A 101 -16.313 4.284 0.832 1.00 2.12 O ATOM 1135 CG2 THR A 101 -17.609 5.615 -0.724 1.00 2.05 C ATOM 0 H THR A 101 -15.196 3.621 -0.702 1.00 1.46 H new ATOM 0 HA THR A 101 -15.568 6.301 -1.459 1.00 1.40 H new ATOM 0 HB THR A 101 -16.397 6.352 0.869 1.00 1.54 H new ATOM 0 HG1 THR A 101 -17.125 4.177 1.370 1.00 2.12 H new ATOM 0 HG21 THR A 101 -18.491 5.476 -0.098 1.00 2.05 H new ATOM 0 HG22 THR A 101 -17.660 6.588 -1.212 1.00 2.05 H new ATOM 0 HG23 THR A 101 -17.574 4.831 -1.480 1.00 2.05 H new ATOM 1143 N PRO A 102 -14.162 7.787 0.087 1.00 1.13 N ATOM 1144 CA PRO A 102 -13.040 8.604 0.563 1.00 1.00 C ATOM 1145 C PRO A 102 -12.629 8.320 2.002 1.00 0.92 C ATOM 1146 O PRO A 102 -13.167 8.904 2.946 1.00 1.15 O ATOM 1147 CB PRO A 102 -13.544 10.048 0.428 1.00 1.32 C ATOM 1148 CG PRO A 102 -15.011 9.934 0.198 1.00 1.47 C ATOM 1149 CD PRO A 102 -15.213 8.622 -0.499 1.00 1.44 C ATOM 0 HA PRO A 102 -12.143 8.389 -0.017 1.00 1.00 H new ATOM 0 HB2 PRO A 102 -13.331 10.624 1.328 1.00 1.32 H new ATOM 0 HB3 PRO A 102 -13.055 10.559 -0.401 1.00 1.32 H new ATOM 0 HG2 PRO A 102 -15.558 9.965 1.140 1.00 1.47 H new ATOM 0 HG3 PRO A 102 -15.377 10.761 -0.411 1.00 1.47 H new ATOM 0 HD2 PRO A 102 -16.206 8.213 -0.314 1.00 1.44 H new ATOM 0 HD3 PRO A 102 -15.102 8.715 -1.579 1.00 1.44 H new ATOM 1157 N THR A 103 -11.696 7.399 2.170 1.00 0.73 N ATOM 1158 CA THR A 103 -11.095 7.174 3.462 1.00 0.70 C ATOM 1159 C THR A 103 -9.870 8.055 3.645 1.00 0.58 C ATOM 1160 O THR A 103 -9.160 8.355 2.683 1.00 0.54 O ATOM 1161 CB THR A 103 -10.763 5.912 3.635 1.00 0.81 C ATOM 1162 OG1 THR A 103 -10.291 5.355 2.397 1.00 1.34 O ATOM 1163 CG2 THR A 103 -11.934 5.101 4.161 1.00 1.40 C ATOM 0 H THR A 103 -11.342 6.798 1.425 1.00 0.73 H new ATOM 0 HA THR A 103 -11.842 7.434 4.212 1.00 0.70 H new ATOM 0 HB THR A 103 -9.965 5.869 4.377 1.00 0.81 H new ATOM 0 HG1 THR A 103 -10.044 4.416 2.534 1.00 1.34 H new ATOM 0 HG21 THR A 103 -11.628 4.063 4.293 1.00 1.40 H new ATOM 0 HG22 THR A 103 -12.258 5.509 5.119 1.00 1.40 H new ATOM 0 HG23 THR A 103 -12.758 5.148 3.449 1.00 1.40 H new ATOM 1171 N LYS A 104 -9.671 8.527 4.865 1.00 0.60 N ATOM 1172 CA LYS A 104 -8.521 9.354 5.187 1.00 0.59 C ATOM 1173 C LYS A 104 -7.600 8.561 6.089 1.00 0.58 C ATOM 1174 O LYS A 104 -7.933 8.307 7.250 1.00 0.75 O ATOM 1175 CB LYS A 104 -8.940 10.656 5.890 1.00 0.75 C ATOM 1176 CG LYS A 104 -10.384 11.072 5.639 1.00 1.45 C ATOM 1177 CD LYS A 104 -11.334 10.444 6.653 1.00 1.90 C ATOM 1178 CE LYS A 104 -11.559 11.338 7.872 1.00 2.46 C ATOM 1179 NZ LYS A 104 -10.289 11.752 8.531 1.00 3.08 N ATOM 0 H LYS A 104 -10.295 8.350 5.652 1.00 0.60 H new ATOM 0 HA LYS A 104 -8.014 9.628 4.262 1.00 0.59 H new ATOM 0 HB2 LYS A 104 -8.790 10.539 6.963 1.00 0.75 H new ATOM 0 HB3 LYS A 104 -8.281 11.460 5.562 1.00 0.75 H new ATOM 0 HG2 LYS A 104 -10.464 12.158 5.689 1.00 1.45 H new ATOM 0 HG3 LYS A 104 -10.679 10.776 4.632 1.00 1.45 H new ATOM 0 HD2 LYS A 104 -12.291 10.241 6.173 1.00 1.90 H new ATOM 0 HD3 LYS A 104 -10.931 9.485 6.979 1.00 1.90 H new ATOM 0 HE2 LYS A 104 -12.111 12.227 7.567 1.00 2.46 H new ATOM 0 HE3 LYS A 104 -12.181 10.809 8.594 1.00 2.46 H new ATOM 0 HZ1 LYS A 104 -10.505 12.328 9.370 1.00 3.08 H new ATOM 0 HZ2 LYS A 104 -9.756 10.907 8.819 1.00 3.08 H new ATOM 0 HZ3 LYS A 104 -9.718 12.311 7.865 1.00 3.08 H new ATOM 1193 N VAL A 105 -6.469 8.130 5.556 1.00 0.45 N ATOM 1194 CA VAL A 105 -5.571 7.272 6.307 1.00 0.47 C ATOM 1195 C VAL A 105 -4.136 7.780 6.291 1.00 0.40 C ATOM 1196 O VAL A 105 -3.762 8.646 5.496 1.00 0.37 O ATOM 1197 CB VAL A 105 -5.583 6.018 5.867 1.00 0.54 C ATOM 1198 CG1 VAL A 105 -6.935 5.361 6.128 1.00 1.33 C ATOM 1199 CG2 VAL A 105 -5.220 5.941 4.392 1.00 0.94 C ATOM 0 H VAL A 105 -6.153 8.358 4.613 1.00 0.45 H new ATOM 0 HA VAL A 105 -5.946 7.294 7.330 1.00 0.47 H new ATOM 0 HB VAL A 105 -4.824 5.468 6.423 1.00 0.54 H new ATOM 0 HG11 VAL A 105 -6.919 4.336 5.759 1.00 1.33 H new ATOM 0 HG12 VAL A 105 -7.137 5.358 7.199 1.00 1.33 H new ATOM 0 HG13 VAL A 105 -7.716 5.920 5.613 1.00 1.33 H new ATOM 0 HG21 VAL A 105 -5.240 4.901 4.066 1.00 0.94 H new ATOM 0 HG22 VAL A 105 -5.939 6.517 3.810 1.00 0.94 H new ATOM 0 HG23 VAL A 105 -4.221 6.349 4.241 1.00 0.94 H new ATOM 1209 N LYS A 106 -3.363 7.256 7.219 1.00 0.43 N ATOM 1210 CA LYS A 106 -1.940 7.494 7.288 1.00 0.42 C ATOM 1211 C LYS A 106 -1.234 6.236 6.814 1.00 0.40 C ATOM 1212 O LYS A 106 -1.453 5.154 7.362 1.00 0.47 O ATOM 1213 CB LYS A 106 -1.539 7.826 8.728 1.00 0.48 C ATOM 1214 CG LYS A 106 -0.054 8.092 8.920 1.00 0.71 C ATOM 1215 CD LYS A 106 0.280 8.331 10.387 1.00 0.83 C ATOM 1216 CE LYS A 106 -0.451 9.545 10.939 1.00 1.56 C ATOM 1217 NZ LYS A 106 0.080 10.815 10.380 1.00 1.69 N ATOM 0 H LYS A 106 -3.713 6.644 7.956 1.00 0.43 H new ATOM 0 HA LYS A 106 -1.659 8.338 6.657 1.00 0.42 H new ATOM 0 HB2 LYS A 106 -2.098 8.703 9.055 1.00 0.48 H new ATOM 0 HB3 LYS A 106 -1.834 7.000 9.374 1.00 0.48 H new ATOM 0 HG2 LYS A 106 0.521 7.244 8.547 1.00 0.71 H new ATOM 0 HG3 LYS A 106 0.241 8.961 8.331 1.00 0.71 H new ATOM 0 HD2 LYS A 106 0.013 7.449 10.969 1.00 0.83 H new ATOM 0 HD3 LYS A 106 1.355 8.472 10.497 1.00 0.83 H new ATOM 0 HE2 LYS A 106 -1.513 9.464 10.710 1.00 1.56 H new ATOM 0 HE3 LYS A 106 -0.360 9.561 12.025 1.00 1.56 H new ATOM 0 HZ1 LYS A 106 -0.422 11.619 10.807 1.00 1.69 H new ATOM 0 HZ2 LYS A 106 1.096 10.889 10.591 1.00 1.69 H new ATOM 0 HZ3 LYS A 106 -0.061 10.827 9.350 1.00 1.69 H new ATOM 1231 N VAL A 107 -0.404 6.366 5.802 1.00 0.37 N ATOM 1232 CA VAL A 107 0.213 5.217 5.197 1.00 0.42 C ATOM 1233 C VAL A 107 1.665 5.120 5.640 1.00 0.40 C ATOM 1234 O VAL A 107 2.495 5.991 5.361 1.00 0.54 O ATOM 1235 CB VAL A 107 0.093 5.227 3.867 1.00 0.46 C ATOM 1236 CG1 VAL A 107 0.609 6.523 3.250 1.00 1.26 C ATOM 1237 CG2 VAL A 107 0.765 4.016 3.241 1.00 1.27 C ATOM 0 H VAL A 107 -0.144 7.259 5.384 1.00 0.37 H new ATOM 0 HA VAL A 107 -0.311 4.324 5.538 1.00 0.42 H new ATOM 0 HB VAL A 107 -0.973 5.171 3.647 1.00 0.46 H new ATOM 0 HG11 VAL A 107 0.490 6.483 2.167 1.00 1.26 H new ATOM 0 HG12 VAL A 107 0.042 7.366 3.646 1.00 1.26 H new ATOM 0 HG13 VAL A 107 1.664 6.648 3.495 1.00 1.26 H new ATOM 0 HG21 VAL A 107 0.649 4.055 2.158 1.00 1.27 H new ATOM 0 HG22 VAL A 107 1.826 4.018 3.493 1.00 1.27 H new ATOM 0 HG23 VAL A 107 0.303 3.106 3.623 1.00 1.27 H new ATOM 1247 N HIS A 108 1.946 4.083 6.400 1.00 0.34 N ATOM 1248 CA HIS A 108 3.273 3.874 6.934 1.00 0.34 C ATOM 1249 C HIS A 108 3.945 2.759 6.153 1.00 0.32 C ATOM 1250 O HIS A 108 3.622 1.587 6.328 1.00 0.44 O ATOM 1251 CB HIS A 108 3.184 3.524 8.426 1.00 0.45 C ATOM 1252 CG HIS A 108 4.476 3.643 9.184 1.00 0.53 C ATOM 1253 ND1 HIS A 108 5.653 4.232 8.865 1.00 0.97 N flip ATOM 1254 CD2 HIS A 108 4.638 3.144 10.457 1.00 0.54 C flip ATOM 1255 CE1 HIS A 108 6.491 4.080 9.945 1.00 1.02 C flip ATOM 1256 NE2 HIS A 108 5.853 3.420 10.888 1.00 0.68 N flip ATOM 0 H HIS A 108 1.268 3.368 6.663 1.00 0.34 H new ATOM 0 HA HIS A 108 3.866 4.783 6.836 1.00 0.34 H new ATOM 0 HB2 HIS A 108 2.445 4.175 8.893 1.00 0.45 H new ATOM 0 HB3 HIS A 108 2.816 2.503 8.523 1.00 0.45 H new ATOM 0 HD1 HIS A 108 5.876 4.701 7.987 1.00 0.97 H new ATOM 0 HD2 HIS A 108 3.885 2.609 11.017 1.00 0.54 H new ATOM 0 HE1 HIS A 108 7.506 4.443 10.009 1.00 1.02 H new ATOM 1265 N MET A 109 4.860 3.133 5.279 1.00 0.30 N ATOM 1266 CA MET A 109 5.550 2.162 4.438 1.00 0.39 C ATOM 1267 C MET A 109 6.947 1.923 4.987 1.00 0.34 C ATOM 1268 O MET A 109 7.679 2.872 5.223 1.00 0.45 O ATOM 1269 CB MET A 109 5.601 2.639 2.969 1.00 0.65 C ATOM 1270 CG MET A 109 6.395 3.922 2.718 1.00 0.87 C ATOM 1271 SD MET A 109 5.534 5.417 3.249 1.00 2.22 S ATOM 1272 CE MET A 109 4.137 5.424 2.126 1.00 2.49 C ATOM 0 H MET A 109 5.146 4.101 5.130 1.00 0.30 H new ATOM 0 HA MET A 109 4.999 1.222 4.453 1.00 0.39 H new ATOM 0 HB2 MET A 109 6.031 1.842 2.362 1.00 0.65 H new ATOM 0 HB3 MET A 109 4.580 2.791 2.619 1.00 0.65 H new ATOM 0 HG2 MET A 109 7.350 3.857 3.240 1.00 0.87 H new ATOM 0 HG3 MET A 109 6.618 3.999 1.654 1.00 0.87 H new ATOM 0 HE1 MET A 109 3.539 6.319 2.295 1.00 2.49 H new ATOM 0 HE2 MET A 109 4.497 5.417 1.097 1.00 2.49 H new ATOM 0 HE3 MET A 109 3.524 4.540 2.302 1.00 2.49 H new ATOM 1282 N LYS A 110 7.310 0.660 5.206 1.00 0.32 N ATOM 1283 CA LYS A 110 8.546 0.342 5.921 1.00 0.35 C ATOM 1284 C LYS A 110 9.262 -0.803 5.243 1.00 0.32 C ATOM 1285 O LYS A 110 8.665 -1.518 4.458 1.00 0.45 O ATOM 1286 CB LYS A 110 8.260 -0.053 7.372 1.00 0.50 C ATOM 1287 CG LYS A 110 7.449 0.963 8.153 1.00 0.97 C ATOM 1288 CD LYS A 110 7.365 0.589 9.625 1.00 0.91 C ATOM 1289 CE LYS A 110 6.865 -0.835 9.819 1.00 1.31 C ATOM 1290 NZ LYS A 110 6.804 -1.209 11.254 1.00 1.57 N ATOM 0 H LYS A 110 6.773 -0.152 4.903 1.00 0.32 H new ATOM 0 HA LYS A 110 9.170 1.235 5.909 1.00 0.35 H new ATOM 0 HB2 LYS A 110 7.729 -1.005 7.378 1.00 0.50 H new ATOM 0 HB3 LYS A 110 9.208 -0.214 7.885 1.00 0.50 H new ATOM 0 HG2 LYS A 110 7.902 1.949 8.051 1.00 0.97 H new ATOM 0 HG3 LYS A 110 6.445 1.029 7.734 1.00 0.97 H new ATOM 0 HD2 LYS A 110 8.348 0.695 10.083 1.00 0.91 H new ATOM 0 HD3 LYS A 110 6.698 1.281 10.138 1.00 0.91 H new ATOM 0 HE2 LYS A 110 5.875 -0.936 9.375 1.00 1.31 H new ATOM 0 HE3 LYS A 110 7.523 -1.526 9.291 1.00 1.31 H new ATOM 0 HZ1 LYS A 110 6.459 -2.186 11.344 1.00 1.57 H new ATOM 0 HZ2 LYS A 110 7.754 -1.138 11.672 1.00 1.57 H new ATOM 0 HZ3 LYS A 110 6.157 -0.566 11.753 1.00 1.57 H new ATOM 1304 N LYS A 111 10.524 -1.000 5.573 1.00 0.37 N ATOM 1305 CA LYS A 111 11.315 -2.040 4.942 1.00 0.38 C ATOM 1306 C LYS A 111 11.302 -3.315 5.777 1.00 0.43 C ATOM 1307 O LYS A 111 11.180 -3.276 7.002 1.00 0.60 O ATOM 1308 CB LYS A 111 12.760 -1.565 4.762 1.00 0.49 C ATOM 1309 CG LYS A 111 13.336 -1.809 3.375 1.00 0.56 C ATOM 1310 CD LYS A 111 13.292 -3.276 2.978 1.00 1.03 C ATOM 1311 CE LYS A 111 13.878 -3.511 1.594 1.00 1.49 C ATOM 1312 NZ LYS A 111 15.348 -3.281 1.551 1.00 2.13 N ATOM 0 H LYS A 111 11.024 -0.454 6.274 1.00 0.37 H new ATOM 0 HA LYS A 111 10.876 -2.254 3.968 1.00 0.38 H new ATOM 0 HB2 LYS A 111 12.808 -0.498 4.979 1.00 0.49 H new ATOM 0 HB3 LYS A 111 13.389 -2.068 5.496 1.00 0.49 H new ATOM 0 HG2 LYS A 111 12.779 -1.221 2.645 1.00 0.56 H new ATOM 0 HG3 LYS A 111 14.368 -1.459 3.346 1.00 0.56 H new ATOM 0 HD2 LYS A 111 13.844 -3.866 3.710 1.00 1.03 H new ATOM 0 HD3 LYS A 111 12.260 -3.626 2.999 1.00 1.03 H new ATOM 0 HE2 LYS A 111 13.664 -4.533 1.281 1.00 1.49 H new ATOM 0 HE3 LYS A 111 13.389 -2.850 0.879 1.00 1.49 H new ATOM 0 HZ1 LYS A 111 15.669 -3.270 0.562 1.00 2.13 H new ATOM 0 HZ2 LYS A 111 15.570 -2.368 1.997 1.00 2.13 H new ATOM 0 HZ3 LYS A 111 15.834 -4.044 2.064 1.00 2.13 H new ATOM 1326 N ALA A 112 11.420 -4.438 5.094 1.00 0.44 N ATOM 1327 CA ALA A 112 11.554 -5.730 5.735 1.00 0.59 C ATOM 1328 C ALA A 112 12.617 -6.543 5.012 1.00 0.92 C ATOM 1329 O ALA A 112 12.453 -6.901 3.841 1.00 1.57 O ATOM 1330 CB ALA A 112 10.228 -6.468 5.741 1.00 0.96 C ATOM 0 H ALA A 112 11.425 -4.479 4.075 1.00 0.44 H new ATOM 0 HA ALA A 112 11.857 -5.584 6.772 1.00 0.59 H new ATOM 0 HB1 ALA A 112 10.352 -7.436 6.227 1.00 0.96 H new ATOM 0 HB2 ALA A 112 9.487 -5.881 6.285 1.00 0.96 H new ATOM 0 HB3 ALA A 112 9.890 -6.618 4.715 1.00 0.96 H new ATOM 1336 N LEU A 113 13.709 -6.827 5.700 1.00 1.01 N ATOM 1337 CA LEU A 113 14.828 -7.540 5.101 1.00 1.49 C ATOM 1338 C LEU A 113 14.638 -9.053 5.232 1.00 1.26 C ATOM 1339 O LEU A 113 15.598 -9.813 5.365 1.00 2.05 O ATOM 1340 CB LEU A 113 16.137 -7.085 5.754 1.00 2.52 C ATOM 1341 CG LEU A 113 17.417 -7.488 5.015 1.00 3.38 C ATOM 1342 CD1 LEU A 113 17.413 -6.933 3.597 1.00 3.91 C ATOM 1343 CD2 LEU A 113 18.642 -7.000 5.774 1.00 4.41 C ATOM 0 H LEU A 113 13.847 -6.574 6.679 1.00 1.01 H new ATOM 0 HA LEU A 113 14.872 -7.307 4.037 1.00 1.49 H new ATOM 0 HB2 LEU A 113 16.118 -5.999 5.847 1.00 2.52 H new ATOM 0 HB3 LEU A 113 16.179 -7.491 6.765 1.00 2.52 H new ATOM 0 HG LEU A 113 17.455 -8.576 4.958 1.00 3.38 H new ATOM 0 HD11 LEU A 113 18.330 -7.229 3.088 1.00 3.91 H new ATOM 0 HD12 LEU A 113 16.553 -7.326 3.055 1.00 3.91 H new ATOM 0 HD13 LEU A 113 17.353 -5.845 3.632 1.00 3.91 H new ATOM 0 HD21 LEU A 113 19.544 -7.294 5.237 1.00 4.41 H new ATOM 0 HD22 LEU A 113 18.608 -5.914 5.860 1.00 4.41 H new ATOM 0 HD23 LEU A 113 18.653 -7.442 6.770 1.00 4.41 H new ATOM 1355 N SER A 114 13.383 -9.476 5.189 1.00 1.21 N ATOM 1356 CA SER A 114 13.042 -10.887 5.176 1.00 1.56 C ATOM 1357 C SER A 114 13.216 -11.451 3.770 1.00 1.72 C ATOM 1358 O SER A 114 13.981 -12.393 3.548 1.00 2.36 O ATOM 1359 CB SER A 114 11.597 -11.054 5.647 1.00 2.13 C ATOM 1360 OG SER A 114 10.766 -10.063 5.059 1.00 2.55 O ATOM 0 H SER A 114 12.577 -8.852 5.162 1.00 1.21 H new ATOM 0 HA SER A 114 13.704 -11.434 5.848 1.00 1.56 H new ATOM 0 HB2 SER A 114 11.234 -12.047 5.381 1.00 2.13 H new ATOM 0 HB3 SER A 114 11.551 -10.978 6.733 1.00 2.13 H new ATOM 0 HG SER A 114 9.844 -10.184 5.368 1.00 2.55 H new ATOM 1366 N GLY A 115 12.496 -10.860 2.827 1.00 1.73 N ATOM 1367 CA GLY A 115 12.633 -11.227 1.432 1.00 2.05 C ATOM 1368 C GLY A 115 12.865 -10.007 0.567 1.00 1.87 C ATOM 1369 O GLY A 115 12.624 -10.034 -0.641 1.00 2.62 O ATOM 0 H GLY A 115 11.812 -10.125 3.006 1.00 1.73 H new ATOM 0 HA2 GLY A 115 13.464 -11.922 1.316 1.00 2.05 H new ATOM 0 HA3 GLY A 115 11.734 -11.747 1.100 1.00 2.05 H new ATOM 1373 N ASP A 116 13.331 -8.935 1.208 1.00 1.38 N ATOM 1374 CA ASP A 116 13.592 -7.650 0.550 1.00 1.29 C ATOM 1375 C ASP A 116 12.322 -7.076 -0.075 1.00 1.01 C ATOM 1376 O ASP A 116 12.100 -7.166 -1.286 1.00 1.32 O ATOM 1377 CB ASP A 116 14.707 -7.768 -0.498 1.00 1.58 C ATOM 1378 CG ASP A 116 15.015 -6.442 -1.168 1.00 2.09 C ATOM 1379 OD1 ASP A 116 14.980 -6.380 -2.415 1.00 2.76 O ATOM 1380 OD2 ASP A 116 15.287 -5.454 -0.451 1.00 2.42 O ATOM 0 H ASP A 116 13.540 -8.932 2.206 1.00 1.38 H new ATOM 0 HA ASP A 116 13.931 -6.958 1.321 1.00 1.29 H new ATOM 0 HB2 ASP A 116 15.610 -8.150 -0.022 1.00 1.58 H new ATOM 0 HB3 ASP A 116 14.414 -8.495 -1.255 1.00 1.58 H new ATOM 1385 N SER A 117 11.477 -6.514 0.777 1.00 0.60 N ATOM 1386 CA SER A 117 10.252 -5.853 0.358 1.00 0.36 C ATOM 1387 C SER A 117 9.826 -4.914 1.488 1.00 0.34 C ATOM 1388 O SER A 117 10.584 -4.726 2.442 1.00 0.54 O ATOM 1389 CB SER A 117 9.138 -6.869 0.031 1.00 0.35 C ATOM 1390 OG SER A 117 9.662 -8.043 -0.578 1.00 1.07 O ATOM 0 H SER A 117 11.624 -6.504 1.786 1.00 0.60 H new ATOM 0 HA SER A 117 10.430 -5.291 -0.559 1.00 0.36 H new ATOM 0 HB2 SER A 117 8.610 -7.138 0.946 1.00 0.35 H new ATOM 0 HB3 SER A 117 8.408 -6.408 -0.635 1.00 0.35 H new ATOM 0 HG SER A 117 10.410 -7.802 -1.163 1.00 1.07 H new ATOM 1396 N TYR A 118 8.640 -4.336 1.405 1.00 0.22 N ATOM 1397 CA TYR A 118 8.200 -3.359 2.361 1.00 0.24 C ATOM 1398 C TYR A 118 6.892 -3.799 2.980 1.00 0.24 C ATOM 1399 O TYR A 118 6.082 -4.463 2.333 1.00 0.26 O ATOM 1400 CB TYR A 118 8.003 -2.012 1.664 1.00 0.30 C ATOM 1401 CG TYR A 118 9.234 -1.538 0.947 1.00 0.32 C ATOM 1402 CD1 TYR A 118 9.402 -1.778 -0.404 1.00 0.42 C ATOM 1403 CD2 TYR A 118 10.219 -0.837 1.621 1.00 0.57 C ATOM 1404 CE1 TYR A 118 10.522 -1.331 -1.072 1.00 0.55 C ATOM 1405 CE2 TYR A 118 11.345 -0.387 0.961 1.00 0.72 C ATOM 1406 CZ TYR A 118 11.522 -0.692 -0.368 1.00 0.67 C ATOM 1407 OH TYR A 118 12.606 -0.187 -1.050 1.00 0.86 O ATOM 0 H TYR A 118 7.962 -4.537 0.670 1.00 0.22 H new ATOM 0 HA TYR A 118 8.954 -3.260 3.142 1.00 0.24 H new ATOM 0 HB2 TYR A 118 7.183 -2.094 0.951 1.00 0.30 H new ATOM 0 HB3 TYR A 118 7.709 -1.266 2.403 1.00 0.30 H new ATOM 0 HD1 TYR A 118 8.644 -2.325 -0.945 1.00 0.42 H new ATOM 0 HD2 TYR A 118 10.105 -0.640 2.677 1.00 0.57 H new ATOM 0 HE1 TYR A 118 10.616 -1.480 -2.138 1.00 0.55 H new ATOM 0 HE2 TYR A 118 12.083 0.202 1.486 1.00 0.72 H new ATOM 0 HH TYR A 118 12.630 -0.567 -1.953 1.00 0.86 H new ATOM 1417 N TRP A 119 6.697 -3.441 4.225 1.00 0.27 N ATOM 1418 CA TRP A 119 5.417 -3.625 4.860 1.00 0.30 C ATOM 1419 C TRP A 119 4.731 -2.287 4.934 1.00 0.33 C ATOM 1420 O TRP A 119 5.150 -1.403 5.685 1.00 0.38 O ATOM 1421 CB TRP A 119 5.555 -4.226 6.259 1.00 0.36 C ATOM 1422 CG TRP A 119 5.755 -5.706 6.249 1.00 0.38 C ATOM 1423 CD1 TRP A 119 6.942 -6.368 6.287 1.00 0.48 C ATOM 1424 CD2 TRP A 119 4.735 -6.710 6.194 1.00 0.42 C ATOM 1425 NE1 TRP A 119 6.729 -7.723 6.259 1.00 0.52 N ATOM 1426 CE2 TRP A 119 5.381 -7.960 6.205 1.00 0.48 C ATOM 1427 CE3 TRP A 119 3.339 -6.673 6.144 1.00 0.52 C ATOM 1428 CZ2 TRP A 119 4.678 -9.162 6.160 1.00 0.56 C ATOM 1429 CZ3 TRP A 119 2.642 -7.866 6.099 1.00 0.63 C ATOM 1430 CH2 TRP A 119 3.313 -9.096 6.111 1.00 0.62 C ATOM 0 H TRP A 119 7.411 -3.020 4.819 1.00 0.27 H new ATOM 0 HA TRP A 119 4.828 -4.327 4.270 1.00 0.30 H new ATOM 0 HB2 TRP A 119 6.397 -3.756 6.767 1.00 0.36 H new ATOM 0 HB3 TRP A 119 4.662 -3.991 6.838 1.00 0.36 H new ATOM 0 HD1 TRP A 119 7.912 -5.896 6.333 1.00 0.48 H new ATOM 0 HE1 TRP A 119 7.456 -8.438 6.276 1.00 0.52 H new ATOM 0 HE3 TRP A 119 2.814 -5.729 6.141 1.00 0.52 H new ATOM 0 HZ2 TRP A 119 5.192 -10.112 6.164 1.00 0.56 H new ATOM 0 HZ3 TRP A 119 1.563 -7.850 6.054 1.00 0.63 H new ATOM 0 HH2 TRP A 119 2.740 -10.011 6.081 1.00 0.62 H new ATOM 1441 N VAL A 120 3.705 -2.122 4.131 1.00 0.33 N ATOM 1442 CA VAL A 120 2.962 -0.887 4.142 1.00 0.37 C ATOM 1443 C VAL A 120 1.676 -1.045 4.953 1.00 0.40 C ATOM 1444 O VAL A 120 1.013 -2.087 4.918 1.00 0.55 O ATOM 1445 CB VAL A 120 2.721 -0.454 2.904 1.00 0.40 C ATOM 1446 CG1 VAL A 120 1.663 -1.292 2.191 1.00 0.90 C ATOM 1447 CG2 VAL A 120 2.342 1.016 2.893 1.00 0.91 C ATOM 0 H VAL A 120 3.370 -2.821 3.468 1.00 0.33 H new ATOM 0 HA VAL A 120 3.570 -0.124 4.629 1.00 0.37 H new ATOM 0 HB VAL A 120 3.652 -0.570 2.349 1.00 0.40 H new ATOM 0 HG11 VAL A 120 1.503 -0.899 1.187 1.00 0.90 H new ATOM 0 HG12 VAL A 120 2.001 -2.326 2.126 1.00 0.90 H new ATOM 0 HG13 VAL A 120 0.728 -1.250 2.750 1.00 0.90 H new ATOM 0 HG21 VAL A 120 2.153 1.335 1.868 1.00 0.91 H new ATOM 0 HG22 VAL A 120 1.443 1.164 3.491 1.00 0.91 H new ATOM 0 HG23 VAL A 120 3.158 1.605 3.312 1.00 0.91 H new ATOM 1457 N PHE A 121 1.400 -0.048 5.777 1.00 0.39 N ATOM 1458 CA PHE A 121 0.284 -0.110 6.700 1.00 0.41 C ATOM 1459 C PHE A 121 -0.693 1.015 6.435 1.00 0.41 C ATOM 1460 O PHE A 121 -0.296 2.158 6.201 1.00 0.49 O ATOM 1461 CB PHE A 121 0.774 -0.023 8.149 1.00 0.48 C ATOM 1462 CG PHE A 121 1.663 -1.160 8.558 1.00 0.53 C ATOM 1463 CD1 PHE A 121 3.038 -1.061 8.428 1.00 0.56 C ATOM 1464 CD2 PHE A 121 1.125 -2.327 9.071 1.00 0.69 C ATOM 1465 CE1 PHE A 121 3.858 -2.104 8.802 1.00 0.65 C ATOM 1466 CE2 PHE A 121 1.942 -3.375 9.447 1.00 0.79 C ATOM 1467 CZ PHE A 121 3.310 -3.263 9.312 1.00 0.73 C ATOM 0 H PHE A 121 1.938 0.817 5.824 1.00 0.39 H new ATOM 0 HA PHE A 121 -0.219 -1.065 6.548 1.00 0.41 H new ATOM 0 HB2 PHE A 121 1.314 0.914 8.284 1.00 0.48 H new ATOM 0 HB3 PHE A 121 -0.090 0.008 8.813 1.00 0.48 H new ATOM 0 HD1 PHE A 121 3.473 -0.156 8.029 1.00 0.56 H new ATOM 0 HD2 PHE A 121 0.054 -2.419 9.179 1.00 0.69 H new ATOM 0 HE1 PHE A 121 4.929 -2.014 8.696 1.00 0.65 H new ATOM 0 HE2 PHE A 121 1.510 -4.281 9.846 1.00 0.79 H new ATOM 0 HZ PHE A 121 3.951 -4.081 9.605 1.00 0.73 H new ATOM 1477 N VAL A 122 -1.965 0.676 6.471 1.00 0.42 N ATOM 1478 CA VAL A 122 -3.022 1.659 6.337 1.00 0.51 C ATOM 1479 C VAL A 122 -3.634 1.925 7.710 1.00 0.54 C ATOM 1480 O VAL A 122 -4.437 1.134 8.212 1.00 0.76 O ATOM 1481 CB VAL A 122 -3.966 1.226 5.511 1.00 0.67 C ATOM 1482 CG1 VAL A 122 -5.025 2.299 5.287 1.00 1.18 C ATOM 1483 CG2 VAL A 122 -3.376 0.770 4.184 1.00 1.16 C ATOM 0 H VAL A 122 -2.295 -0.282 6.593 1.00 0.42 H new ATOM 0 HA VAL A 122 -2.598 2.577 5.929 1.00 0.51 H new ATOM 0 HB VAL A 122 -4.443 0.364 5.978 1.00 0.67 H new ATOM 0 HG11 VAL A 122 -5.788 1.921 4.607 1.00 1.18 H new ATOM 0 HG12 VAL A 122 -5.486 2.560 6.240 1.00 1.18 H new ATOM 0 HG13 VAL A 122 -4.560 3.185 4.854 1.00 1.18 H new ATOM 0 HG21 VAL A 122 -4.176 0.421 3.531 1.00 1.16 H new ATOM 0 HG22 VAL A 122 -2.858 1.604 3.710 1.00 1.16 H new ATOM 0 HG23 VAL A 122 -2.671 -0.042 4.359 1.00 1.16 H new ATOM 1493 N LYS A 123 -3.262 3.045 8.307 1.00 0.52 N ATOM 1494 CA LYS A 123 -3.769 3.412 9.619 1.00 0.66 C ATOM 1495 C LYS A 123 -4.786 4.532 9.485 1.00 0.55 C ATOM 1496 O LYS A 123 -4.486 5.582 8.928 1.00 0.51 O ATOM 1497 CB LYS A 123 -2.624 3.858 10.530 1.00 0.93 C ATOM 1498 CG LYS A 123 -3.077 4.224 11.936 1.00 1.36 C ATOM 1499 CD LYS A 123 -1.951 4.851 12.743 1.00 1.80 C ATOM 1500 CE LYS A 123 -2.397 5.208 14.153 1.00 2.62 C ATOM 1501 NZ LYS A 123 -3.617 6.056 14.153 1.00 3.31 N ATOM 0 H LYS A 123 -2.610 3.717 7.903 1.00 0.52 H new ATOM 0 HA LYS A 123 -4.249 2.540 10.063 1.00 0.66 H new ATOM 0 HB2 LYS A 123 -1.886 3.058 10.591 1.00 0.93 H new ATOM 0 HB3 LYS A 123 -2.127 4.718 10.081 1.00 0.93 H new ATOM 0 HG2 LYS A 123 -3.915 4.919 11.879 1.00 1.36 H new ATOM 0 HG3 LYS A 123 -3.437 3.331 12.447 1.00 1.36 H new ATOM 0 HD2 LYS A 123 -1.110 4.159 12.792 1.00 1.80 H new ATOM 0 HD3 LYS A 123 -1.596 5.748 12.236 1.00 1.80 H new ATOM 0 HE2 LYS A 123 -2.591 4.294 14.714 1.00 2.62 H new ATOM 0 HE3 LYS A 123 -1.591 5.732 14.666 1.00 2.62 H new ATOM 0 HZ1 LYS A 123 -3.761 6.457 15.102 1.00 3.31 H new ATOM 0 HZ2 LYS A 123 -3.503 6.828 13.465 1.00 3.31 H new ATOM 0 HZ3 LYS A 123 -4.441 5.478 13.892 1.00 3.31 H new ATOM 1515 N ARG A 124 -5.981 4.308 9.992 1.00 0.67 N ATOM 1516 CA ARG A 124 -7.050 5.285 9.876 1.00 0.76 C ATOM 1517 C ARG A 124 -6.720 6.547 10.669 1.00 0.85 C ATOM 1518 O ARG A 124 -6.207 6.472 11.787 1.00 0.96 O ATOM 1519 CB ARG A 124 -8.361 4.692 10.382 1.00 1.03 C ATOM 1520 CG ARG A 124 -9.557 5.029 9.512 1.00 1.58 C ATOM 1521 CD ARG A 124 -10.738 5.488 10.344 1.00 2.10 C ATOM 1522 NE ARG A 124 -10.574 6.864 10.805 1.00 2.55 N ATOM 1523 CZ ARG A 124 -11.578 7.734 10.901 1.00 3.32 C ATOM 1524 NH1 ARG A 124 -12.824 7.343 10.658 1.00 3.80 N ATOM 1525 NH2 ARG A 124 -11.338 8.990 11.252 1.00 4.03 N ATOM 0 H ARG A 124 -6.239 3.456 10.490 1.00 0.67 H new ATOM 0 HA ARG A 124 -7.154 5.550 8.824 1.00 0.76 H new ATOM 0 HB2 ARG A 124 -8.260 3.608 10.442 1.00 1.03 H new ATOM 0 HB3 ARG A 124 -8.546 5.052 11.394 1.00 1.03 H new ATOM 0 HG2 ARG A 124 -9.284 5.811 8.804 1.00 1.58 H new ATOM 0 HG3 ARG A 124 -9.841 4.154 8.927 1.00 1.58 H new ATOM 0 HD2 ARG A 124 -11.651 5.409 9.754 1.00 2.10 H new ATOM 0 HD3 ARG A 124 -10.856 4.828 11.204 1.00 2.10 H new ATOM 0 HE ARG A 124 -9.639 7.176 11.068 1.00 2.55 H new ATOM 0 HH11 ARG A 124 -13.013 6.375 10.397 1.00 3.80 H new ATOM 0 HH12 ARG A 124 -13.592 8.011 10.732 1.00 3.80 H new ATOM 0 HH21 ARG A 124 -10.384 9.291 11.449 1.00 4.03 H new ATOM 0 HH22 ARG A 124 -12.108 9.655 11.325 1.00 4.03 H new ATOM 1539 N VAL A 125 -6.995 7.701 10.079 1.00 1.06 N ATOM 1540 CA VAL A 125 -6.818 8.966 10.771 1.00 1.33 C ATOM 1541 C VAL A 125 -8.036 9.874 10.559 1.00 2.00 C ATOM 1542 O VAL A 125 -8.202 10.450 9.464 1.00 2.87 O ATOM 1543 CB VAL A 125 -5.671 9.567 10.430 1.00 1.50 C ATOM 1544 CG1 VAL A 125 -5.507 9.690 8.918 1.00 2.10 C ATOM 1545 CG2 VAL A 125 -5.525 10.925 11.105 1.00 2.08 C ATOM 1546 OXT VAL A 125 -8.856 9.976 11.495 1.00 2.26 O ATOM 0 H VAL A 125 -7.341 7.786 9.123 1.00 1.06 H new ATOM 0 HA VAL A 125 -6.745 8.757 11.838 1.00 1.33 H new ATOM 0 HB VAL A 125 -4.868 8.924 10.790 1.00 1.50 H new ATOM 0 HG11 VAL A 125 -4.562 10.184 8.694 1.00 2.10 H new ATOM 0 HG12 VAL A 125 -5.513 8.697 8.469 1.00 2.10 H new ATOM 0 HG13 VAL A 125 -6.329 10.277 8.509 1.00 2.10 H new ATOM 0 HG21 VAL A 125 -4.582 11.382 10.804 1.00 2.08 H new ATOM 0 HG22 VAL A 125 -6.352 11.570 10.808 1.00 2.08 H new ATOM 0 HG23 VAL A 125 -5.536 10.796 12.187 1.00 2.08 H new TER 1556 VAL A 125 HETATM 1557 C1 HC4 A 169 -7.574 4.778 -6.261 1.00 0.71 C HETATM 1558 O1 HC4 A 169 -7.721 4.276 -7.375 1.00 0.73 O HETATM 1559 C2 HC4 A 169 -7.864 4.020 -4.974 1.00 0.72 C HETATM 1560 C3 HC4 A 169 -8.104 2.731 -5.009 1.00 0.71 C HETATM 1561 C1' HC4 A 169 -8.345 1.932 -3.836 1.00 0.75 C HETATM 1562 C2' HC4 A 169 -8.629 0.577 -3.939 1.00 0.80 C HETATM 1563 C3' HC4 A 169 -8.809 -0.197 -2.808 1.00 0.86 C HETATM 1564 C4' HC4 A 169 -8.705 0.381 -1.563 1.00 0.89 C HETATM 1565 C5' HC4 A 169 -8.418 1.718 -1.440 1.00 0.90 C HETATM 1566 C6' HC4 A 169 -8.233 2.483 -2.570 1.00 0.82 C HETATM 1567 O4' HC4 A 169 -8.880 -0.382 -0.437 1.00 0.99 O HETATM 0 HO4' HC4 A 169 -8.018 -0.757 -0.159 1.00 0.99 H new HETATM 0 H6' HC4 A 169 -7.994 3.541 -2.466 1.00 0.82 H new HETATM 0 H5' HC4 A 169 -8.337 2.172 -0.452 1.00 0.90 H new HETATM 0 H3' HC4 A 169 -9.032 -1.260 -2.901 1.00 0.86 H new HETATM 0 H3 HC4 A 169 -8.122 2.237 -5.981 1.00 0.71 H new HETATM 0 H2' HC4 A 169 -8.711 0.118 -4.924 1.00 0.80 H new HETATM 0 H2 HC4 A 169 -7.872 4.549 -4.021 1.00 0.72 H new