USER MOD reduce.3.24.130724 H: found=0, std=0, add=592, rem=0, adj=22 USER MOD reduce.3.24.130724 removed 592 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: B 120 HIS : no HE2:sc= -0.566 K(o=-0.5,f=-1.3) USER MOD Set 1.2: B 123 GLN : amide:sc= 0.0683 X(o=-0.5,f=-0.63) USER MOD Set 2.1: A 120 HIS : no HE2:sc= -0.773 K(o=-0.72,f=-1.3) USER MOD Set 2.2: A 123 GLN : amide:sc= 0.0494 X(o=-0.72,f=-0.82) USER MOD Single : A 101 ASN : amide:sc= 0 X(o=0,f=-0.046) USER MOD Single : A 102 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 103 TYR OH : rot 180:sc= -0.0964 USER MOD Single : A 108 MET CE :methyl 142:sc= -0.808 (180deg=-2.33) USER MOD Single : A 111 LYS NZ :NH3+ -145:sc= 0.977 (180deg=-0.657) USER MOD Single : A 113 SER OG : rot 89:sc= 1 USER MOD Single : A 117 SER OG : rot 102:sc= 1.24 USER MOD Single : A 119 THR OG1 : rot 180:sc= 0 USER MOD Single : A 122 MET CE :methyl 177:sc= -6.14! (180deg=-6.33!) USER MOD Single : A 126 THR OG1 : rot 82:sc= 1.24 USER MOD Single : A 131 LYS NZ :NH3+ -155:sc= 1.32 (180deg=1.18) USER MOD Single : A 133 GLN : amide:sc= -1.34 K(o=-1.3,f=-6!) USER MOD Single : A 134 LYS NZ :NH3+ -151:sc= 0.953 (180deg=-0.142) USER MOD Single : B 101 ASN : amide:sc= 0 X(o=0,f=-0.049) USER MOD Single : B 102 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : B 103 TYR OH : rot 180:sc= -0.0977 USER MOD Single : B 108 MET CE :methyl 137:sc= -0.821 (180deg=-2.32) USER MOD Single : B 111 LYS NZ :NH3+ -147:sc= 0.993 (180deg=-0.731) USER MOD Single : B 113 SER OG : rot 88:sc= 0.939 USER MOD Single : B 117 SER OG : rot 94:sc= 1.31 USER MOD Single : B 119 THR OG1 : rot 180:sc= 0 USER MOD Single : B 122 MET CE :methyl 179:sc= -6.06! (180deg=-6.08!) USER MOD Single : B 126 THR OG1 : rot 67:sc= 1.22 USER MOD Single : B 131 LYS NZ :NH3+ -154:sc= 1.27 (180deg=1.15) USER MOD Single : B 133 GLN : amide:sc= -1.35 K(o=-1.4,f=-6!) USER MOD Single : B 134 LYS NZ :NH3+ -154:sc= 1.14 (180deg=-0.00481) USER MOD ----------------------------------------------------------------- ATOM 1 N PRO A 99 -18.527 3.191 -6.318 1.00 4.97 N ATOM 2 CA PRO A 99 -18.794 4.183 -5.286 1.00 4.83 C ATOM 3 C PRO A 99 -17.513 4.580 -4.563 1.00 4.33 C ATOM 4 O PRO A 99 -16.761 3.727 -4.088 1.00 4.07 O ATOM 5 CB PRO A 99 -19.775 3.489 -4.343 1.00 5.14 C ATOM 6 CG PRO A 99 -19.608 2.030 -4.591 1.00 5.27 C ATOM 7 CD PRO A 99 -19.101 1.879 -5.995 1.00 5.29 C ATOM 0 HA PRO A 99 -19.199 5.110 -5.692 1.00 4.83 H new ATOM 0 HB2 PRO A 99 -19.561 3.737 -3.303 1.00 5.14 H new ATOM 0 HB3 PRO A 99 -20.799 3.805 -4.541 1.00 5.14 H new ATOM 0 HG2 PRO A 99 -18.906 1.596 -3.879 1.00 5.27 H new ATOM 0 HG3 PRO A 99 -20.556 1.506 -4.465 1.00 5.27 H new ATOM 0 HD2 PRO A 99 -18.353 1.090 -6.065 1.00 5.29 H new ATOM 0 HD3 PRO A 99 -19.906 1.617 -6.682 1.00 5.29 H new ATOM 15 N GLU A 100 -17.285 5.881 -4.486 1.00 4.31 N ATOM 16 CA GLU A 100 -16.012 6.427 -4.026 1.00 4.02 C ATOM 17 C GLU A 100 -15.767 6.160 -2.540 1.00 3.83 C ATOM 18 O GLU A 100 -14.622 6.153 -2.090 1.00 3.64 O ATOM 19 CB GLU A 100 -15.958 7.927 -4.317 1.00 4.28 C ATOM 20 CG GLU A 100 -14.595 8.548 -4.067 1.00 4.51 C ATOM 21 CD GLU A 100 -14.540 10.006 -4.455 1.00 4.77 C ATOM 22 OE1 GLU A 100 -14.740 10.870 -3.575 1.00 4.99 O ATOM 23 OE2 GLU A 100 -14.291 10.296 -5.645 1.00 5.13 O ATOM 0 H GLU A 100 -17.974 6.590 -4.739 1.00 4.31 H new ATOM 0 HA GLU A 100 -15.218 5.919 -4.573 1.00 4.02 H new ATOM 0 HB2 GLU A 100 -16.240 8.097 -5.356 1.00 4.28 H new ATOM 0 HB3 GLU A 100 -16.698 8.435 -3.699 1.00 4.28 H new ATOM 0 HG2 GLU A 100 -14.342 8.447 -3.012 1.00 4.51 H new ATOM 0 HG3 GLU A 100 -13.841 7.998 -4.629 1.00 4.51 H new ATOM 30 N ASN A 101 -16.826 5.905 -1.785 1.00 4.05 N ATOM 31 CA ASN A 101 -16.714 5.643 -0.353 1.00 4.10 C ATOM 32 C ASN A 101 -16.423 4.169 -0.130 1.00 3.98 C ATOM 33 O ASN A 101 -15.638 3.804 0.747 1.00 4.07 O ATOM 34 CB ASN A 101 -17.996 6.051 0.383 1.00 4.55 C ATOM 35 CG ASN A 101 -17.920 5.797 1.879 1.00 4.76 C ATOM 36 OD1 ASN A 101 -18.270 4.716 2.356 1.00 5.19 O ATOM 37 ND2 ASN A 101 -17.470 6.792 2.628 1.00 4.68 N ATOM 0 H ASN A 101 -17.781 5.873 -2.142 1.00 4.05 H new ATOM 0 HA ASN A 101 -15.895 6.239 0.049 1.00 4.10 H new ATOM 0 HB2 ASN A 101 -18.189 7.109 0.208 1.00 4.55 H new ATOM 0 HB3 ASN A 101 -18.840 5.500 -0.032 1.00 4.55 H new ATOM 0 HD21 ASN A 101 -17.403 6.679 3.640 1.00 4.68 H new ATOM 0 HD22 ASN A 101 -17.190 7.671 2.193 1.00 4.68 H new ATOM 44 N LYS A 102 -17.052 3.321 -0.942 1.00 3.93 N ATOM 45 CA LYS A 102 -16.830 1.878 -0.881 1.00 3.87 C ATOM 46 C LYS A 102 -15.385 1.505 -1.247 1.00 3.43 C ATOM 47 O LYS A 102 -15.023 0.328 -1.267 1.00 3.32 O ATOM 48 CB LYS A 102 -17.811 1.144 -1.794 1.00 4.20 C ATOM 49 CG LYS A 102 -18.081 -0.286 -1.358 1.00 4.62 C ATOM 50 CD LYS A 102 -19.008 -1.011 -2.317 1.00 5.18 C ATOM 51 CE LYS A 102 -19.375 -2.386 -1.782 1.00 5.68 C ATOM 52 NZ LYS A 102 -20.132 -3.191 -2.772 1.00 6.27 N ATOM 0 H LYS A 102 -17.723 3.611 -1.653 1.00 3.93 H new ATOM 0 HA LYS A 102 -17.002 1.567 0.150 1.00 3.87 H new ATOM 0 HB2 LYS A 102 -18.753 1.693 -1.820 1.00 4.20 H new ATOM 0 HB3 LYS A 102 -17.417 1.139 -2.810 1.00 4.20 H new ATOM 0 HG2 LYS A 102 -17.137 -0.827 -1.288 1.00 4.62 H new ATOM 0 HG3 LYS A 102 -18.522 -0.283 -0.361 1.00 4.62 H new ATOM 0 HD2 LYS A 102 -19.913 -0.422 -2.469 1.00 5.18 H new ATOM 0 HD3 LYS A 102 -18.526 -1.112 -3.289 1.00 5.18 H new ATOM 0 HE2 LYS A 102 -18.466 -2.919 -1.502 1.00 5.68 H new ATOM 0 HE3 LYS A 102 -19.971 -2.274 -0.876 1.00 5.68 H new ATOM 0 HZ1 LYS A 102 -20.360 -4.120 -2.363 1.00 6.27 H new ATOM 0 HZ2 LYS A 102 -21.013 -2.697 -3.021 1.00 6.27 H new ATOM 0 HZ3 LYS A 102 -19.555 -3.322 -3.627 1.00 6.27 H new ATOM 66 N TYR A 103 -14.568 2.503 -1.554 1.00 3.24 N ATOM 67 CA TYR A 103 -13.122 2.346 -1.661 1.00 2.85 C ATOM 68 C TYR A 103 -12.535 1.947 -0.303 1.00 2.57 C ATOM 69 O TYR A 103 -11.511 1.262 -0.227 1.00 2.28 O ATOM 70 CB TYR A 103 -12.527 3.673 -2.151 1.00 2.82 C ATOM 71 CG TYR A 103 -11.015 3.757 -2.154 1.00 2.56 C ATOM 72 CD1 TYR A 103 -10.353 4.599 -1.269 1.00 2.69 C ATOM 73 CD2 TYR A 103 -10.253 3.021 -3.049 1.00 2.76 C ATOM 74 CE1 TYR A 103 -8.977 4.707 -1.273 1.00 2.58 C ATOM 75 CE2 TYR A 103 -8.872 3.120 -3.057 1.00 2.65 C ATOM 76 CZ TYR A 103 -8.240 3.963 -2.170 1.00 2.31 C ATOM 77 OH TYR A 103 -6.867 4.061 -2.181 1.00 2.31 O ATOM 0 H TYR A 103 -14.892 3.453 -1.738 1.00 3.24 H new ATOM 0 HA TYR A 103 -12.877 1.556 -2.371 1.00 2.85 H new ATOM 0 HB2 TYR A 103 -12.884 3.857 -3.164 1.00 2.82 H new ATOM 0 HB3 TYR A 103 -12.915 4.476 -1.525 1.00 2.82 H new ATOM 0 HD1 TYR A 103 -10.927 5.181 -0.563 1.00 2.69 H new ATOM 0 HD2 TYR A 103 -10.744 2.361 -3.749 1.00 2.76 H new ATOM 0 HE1 TYR A 103 -8.481 5.369 -0.579 1.00 2.58 H new ATOM 0 HE2 TYR A 103 -8.292 2.537 -3.757 1.00 2.65 H new ATOM 0 HH TYR A 103 -6.502 3.470 -2.872 1.00 2.31 H new ATOM 87 N LEU A 104 -13.214 2.372 0.758 1.00 2.70 N ATOM 88 CA LEU A 104 -12.782 2.126 2.130 1.00 2.55 C ATOM 89 C LEU A 104 -12.800 0.628 2.479 1.00 2.53 C ATOM 90 O LEU A 104 -11.777 0.088 2.905 1.00 2.25 O ATOM 91 CB LEU A 104 -13.666 2.928 3.095 1.00 2.85 C ATOM 92 CG LEU A 104 -13.378 2.746 4.586 1.00 2.83 C ATOM 93 CD1 LEU A 104 -11.941 3.125 4.907 1.00 2.46 C ATOM 94 CD2 LEU A 104 -14.348 3.588 5.399 1.00 3.18 C ATOM 0 H LEU A 104 -14.084 2.900 0.690 1.00 2.70 H new ATOM 0 HA LEU A 104 -11.748 2.457 2.229 1.00 2.55 H new ATOM 0 HB2 LEU A 104 -13.564 3.986 2.853 1.00 2.85 H new ATOM 0 HB3 LEU A 104 -14.706 2.658 2.912 1.00 2.85 H new ATOM 0 HG LEU A 104 -13.513 1.696 4.847 1.00 2.83 H new ATOM 0 HD11 LEU A 104 -11.758 2.988 5.973 1.00 2.46 H new ATOM 0 HD12 LEU A 104 -11.262 2.491 4.338 1.00 2.46 H new ATOM 0 HD13 LEU A 104 -11.772 4.168 4.641 1.00 2.46 H new ATOM 0 HD21 LEU A 104 -14.141 3.457 6.461 1.00 3.18 H new ATOM 0 HD22 LEU A 104 -14.229 4.638 5.133 1.00 3.18 H new ATOM 0 HD23 LEU A 104 -15.370 3.273 5.187 1.00 3.18 H new ATOM 106 N PRO A 105 -13.944 -0.076 2.315 1.00 2.88 N ATOM 107 CA PRO A 105 -14.029 -1.513 2.603 1.00 2.95 C ATOM 108 C PRO A 105 -13.094 -2.336 1.723 1.00 2.65 C ATOM 109 O PRO A 105 -12.647 -3.410 2.118 1.00 2.62 O ATOM 110 CB PRO A 105 -15.493 -1.866 2.329 1.00 3.43 C ATOM 111 CG PRO A 105 -15.955 -0.796 1.414 1.00 3.51 C ATOM 112 CD PRO A 105 -15.246 0.444 1.869 1.00 3.28 C ATOM 0 HA PRO A 105 -13.723 -1.737 3.625 1.00 2.95 H new ATOM 0 HB2 PRO A 105 -15.587 -2.851 1.871 1.00 3.43 H new ATOM 0 HB3 PRO A 105 -16.078 -1.885 3.249 1.00 3.43 H new ATOM 0 HG2 PRO A 105 -15.711 -1.031 0.378 1.00 3.51 H new ATOM 0 HG3 PRO A 105 -17.037 -0.673 1.467 1.00 3.51 H new ATOM 0 HD2 PRO A 105 -15.138 1.169 1.062 1.00 3.28 H new ATOM 0 HD3 PRO A 105 -15.781 0.944 2.677 1.00 3.28 H new ATOM 120 N GLU A 106 -12.798 -1.837 0.529 1.00 2.53 N ATOM 121 CA GLU A 106 -11.833 -2.494 -0.336 1.00 2.35 C ATOM 122 C GLU A 106 -10.473 -2.533 0.345 1.00 1.89 C ATOM 123 O GLU A 106 -9.805 -3.569 0.378 1.00 1.84 O ATOM 124 CB GLU A 106 -11.707 -1.738 -1.658 1.00 2.43 C ATOM 125 CG GLU A 106 -12.978 -1.728 -2.484 1.00 2.88 C ATOM 126 CD GLU A 106 -13.356 -3.101 -2.993 1.00 3.32 C ATOM 127 OE1 GLU A 106 -13.945 -3.887 -2.222 1.00 3.62 O ATOM 128 OE2 GLU A 106 -13.092 -3.394 -4.175 1.00 3.70 O ATOM 0 H GLU A 106 -13.209 -0.987 0.143 1.00 2.53 H new ATOM 0 HA GLU A 106 -12.177 -3.510 -0.532 1.00 2.35 H new ATOM 0 HB2 GLU A 106 -11.412 -0.709 -1.450 1.00 2.43 H new ATOM 0 HB3 GLU A 106 -10.906 -2.186 -2.247 1.00 2.43 H new ATOM 0 HG2 GLU A 106 -13.795 -1.331 -1.881 1.00 2.88 H new ATOM 0 HG3 GLU A 106 -12.850 -1.054 -3.331 1.00 2.88 H new ATOM 135 N LEU A 107 -10.089 -1.396 0.904 1.00 1.63 N ATOM 136 CA LEU A 107 -8.820 -1.278 1.603 1.00 1.23 C ATOM 137 C LEU A 107 -8.785 -2.184 2.824 1.00 1.08 C ATOM 138 O LEU A 107 -7.808 -2.886 3.048 1.00 0.96 O ATOM 139 CB LEU A 107 -8.594 0.159 2.048 1.00 1.21 C ATOM 140 CG LEU A 107 -8.422 1.173 0.926 1.00 1.32 C ATOM 141 CD1 LEU A 107 -8.411 2.577 1.491 1.00 1.42 C ATOM 142 CD2 LEU A 107 -7.137 0.905 0.164 1.00 1.20 C ATOM 0 H LEU A 107 -10.641 -0.539 0.887 1.00 1.63 H new ATOM 0 HA LEU A 107 -8.032 -1.579 0.913 1.00 1.23 H new ATOM 0 HB2 LEU A 107 -9.438 0.467 2.666 1.00 1.21 H new ATOM 0 HB3 LEU A 107 -7.707 0.190 2.681 1.00 1.21 H new ATOM 0 HG LEU A 107 -9.261 1.077 0.237 1.00 1.32 H new ATOM 0 HD11 LEU A 107 -8.287 3.295 0.680 1.00 1.42 H new ATOM 0 HD12 LEU A 107 -9.352 2.770 2.006 1.00 1.42 H new ATOM 0 HD13 LEU A 107 -7.585 2.679 2.195 1.00 1.42 H new ATOM 0 HD21 LEU A 107 -7.028 1.638 -0.635 1.00 1.20 H new ATOM 0 HD22 LEU A 107 -6.288 0.980 0.844 1.00 1.20 H new ATOM 0 HD23 LEU A 107 -7.170 -0.097 -0.265 1.00 1.20 H new ATOM 154 N MET A 108 -9.866 -2.175 3.597 1.00 1.27 N ATOM 155 CA MET A 108 -9.941 -2.985 4.812 1.00 1.26 C ATOM 156 C MET A 108 -9.913 -4.477 4.484 1.00 1.17 C ATOM 157 O MET A 108 -9.306 -5.261 5.209 1.00 1.13 O ATOM 158 CB MET A 108 -11.190 -2.632 5.643 1.00 1.64 C ATOM 159 CG MET A 108 -12.512 -3.084 5.054 1.00 1.96 C ATOM 160 SD MET A 108 -13.926 -2.586 6.059 1.00 2.39 S ATOM 161 CE MET A 108 -13.713 -0.809 6.116 1.00 2.67 C ATOM 0 H MET A 108 -10.700 -1.619 3.407 1.00 1.27 H new ATOM 0 HA MET A 108 -9.061 -2.755 5.413 1.00 1.26 H new ATOM 0 HB2 MET A 108 -11.083 -3.074 6.634 1.00 1.64 H new ATOM 0 HB3 MET A 108 -11.222 -1.551 5.778 1.00 1.64 H new ATOM 0 HG2 MET A 108 -12.620 -2.670 4.052 1.00 1.96 H new ATOM 0 HG3 MET A 108 -12.508 -4.169 4.952 1.00 1.96 H new ATOM 0 HE1 MET A 108 -14.687 -0.324 6.059 1.00 2.67 H new ATOM 0 HE2 MET A 108 -13.223 -0.531 7.049 1.00 2.67 H new ATOM 0 HE3 MET A 108 -13.099 -0.489 5.274 1.00 2.67 H new ATOM 171 N ALA A 109 -10.541 -4.864 3.378 1.00 1.27 N ATOM 172 CA ALA A 109 -10.568 -6.266 2.981 1.00 1.30 C ATOM 173 C ALA A 109 -9.183 -6.734 2.537 1.00 0.99 C ATOM 174 O ALA A 109 -8.719 -7.796 2.955 1.00 1.01 O ATOM 175 CB ALA A 109 -11.598 -6.499 1.885 1.00 1.60 C ATOM 0 H ALA A 109 -11.034 -4.232 2.746 1.00 1.27 H new ATOM 0 HA ALA A 109 -10.860 -6.857 3.849 1.00 1.30 H new ATOM 0 HB1 ALA A 109 -11.600 -7.553 1.605 1.00 1.60 H new ATOM 0 HB2 ALA A 109 -12.586 -6.219 2.249 1.00 1.60 H new ATOM 0 HB3 ALA A 109 -11.347 -5.893 1.015 1.00 1.60 H new ATOM 181 N GLU A 110 -8.526 -5.932 1.704 1.00 0.80 N ATOM 182 CA GLU A 110 -7.163 -6.250 1.277 1.00 0.62 C ATOM 183 C GLU A 110 -6.226 -6.189 2.482 1.00 0.45 C ATOM 184 O GLU A 110 -5.336 -7.012 2.644 1.00 0.55 O ATOM 185 CB GLU A 110 -6.686 -5.277 0.193 1.00 0.56 C ATOM 186 CG GLU A 110 -7.448 -5.393 -1.118 1.00 0.60 C ATOM 187 CD GLU A 110 -6.914 -4.455 -2.182 1.00 0.83 C ATOM 188 OE1 GLU A 110 -5.696 -4.200 -2.193 1.00 1.49 O ATOM 189 OE2 GLU A 110 -7.706 -3.977 -3.024 1.00 1.48 O ATOM 0 H GLU A 110 -8.906 -5.069 1.315 1.00 0.80 H new ATOM 0 HA GLU A 110 -7.155 -7.255 0.856 1.00 0.62 H new ATOM 0 HB2 GLU A 110 -6.779 -4.257 0.567 1.00 0.56 H new ATOM 0 HB3 GLU A 110 -5.627 -5.451 0.003 1.00 0.56 H new ATOM 0 HG2 GLU A 110 -7.389 -6.420 -1.480 1.00 0.60 H new ATOM 0 HG3 GLU A 110 -8.502 -5.177 -0.943 1.00 0.60 H new ATOM 196 N LYS A 111 -6.483 -5.197 3.316 1.00 0.41 N ATOM 197 CA LYS A 111 -5.698 -5.030 4.540 1.00 0.46 C ATOM 198 C LYS A 111 -5.764 -6.278 5.421 1.00 0.47 C ATOM 199 O LYS A 111 -4.740 -6.840 5.796 1.00 0.52 O ATOM 200 CB LYS A 111 -6.180 -3.813 5.330 1.00 0.63 C ATOM 201 CG LYS A 111 -5.837 -3.864 6.811 1.00 0.79 C ATOM 202 CD LYS A 111 -6.405 -2.663 7.542 1.00 0.89 C ATOM 203 CE LYS A 111 -6.319 -2.823 9.053 1.00 1.15 C ATOM 204 NZ LYS A 111 -6.889 -4.118 9.513 1.00 1.89 N ATOM 0 H LYS A 111 -7.216 -4.501 3.178 1.00 0.41 H new ATOM 0 HA LYS A 111 -4.661 -4.874 4.243 1.00 0.46 H new ATOM 0 HB2 LYS A 111 -5.742 -2.914 4.896 1.00 0.63 H new ATOM 0 HB3 LYS A 111 -7.261 -3.726 5.220 1.00 0.63 H new ATOM 0 HG2 LYS A 111 -6.233 -4.781 7.248 1.00 0.79 H new ATOM 0 HG3 LYS A 111 -4.755 -3.892 6.937 1.00 0.79 H new ATOM 0 HD2 LYS A 111 -5.864 -1.766 7.241 1.00 0.89 H new ATOM 0 HD3 LYS A 111 -7.446 -2.520 7.251 1.00 0.89 H new ATOM 0 HE2 LYS A 111 -5.277 -2.755 9.365 1.00 1.15 H new ATOM 0 HE3 LYS A 111 -6.850 -2.002 9.535 1.00 1.15 H new ATOM 0 HZ1 LYS A 111 -7.353 -3.985 10.434 1.00 1.89 H new ATOM 0 HZ2 LYS A 111 -7.587 -4.456 8.820 1.00 1.89 H new ATOM 0 HZ3 LYS A 111 -6.127 -4.819 9.607 1.00 1.89 H new ATOM 218 N ASP A 112 -6.967 -6.722 5.724 1.00 0.49 N ATOM 219 CA ASP A 112 -7.152 -7.827 6.658 1.00 0.58 C ATOM 220 C ASP A 112 -6.788 -9.169 6.033 1.00 0.53 C ATOM 221 O ASP A 112 -6.577 -10.155 6.740 1.00 0.63 O ATOM 222 CB ASP A 112 -8.590 -7.845 7.173 1.00 0.72 C ATOM 223 CG ASP A 112 -8.800 -6.904 8.341 1.00 2.65 C ATOM 224 OD1 ASP A 112 -8.571 -5.688 8.185 1.00 3.03 O ATOM 225 OD2 ASP A 112 -9.198 -7.376 9.426 1.00 3.08 O ATOM 0 H ASP A 112 -7.832 -6.340 5.341 1.00 0.49 H new ATOM 0 HA ASP A 112 -6.475 -7.669 7.497 1.00 0.58 H new ATOM 0 HB2 ASP A 112 -9.266 -7.570 6.363 1.00 0.72 H new ATOM 0 HB3 ASP A 112 -8.851 -8.859 7.476 1.00 0.72 H new ATOM 230 N SER A 113 -6.699 -9.203 4.712 1.00 0.44 N ATOM 231 CA SER A 113 -6.371 -10.435 4.006 1.00 0.43 C ATOM 232 C SER A 113 -4.891 -10.490 3.627 1.00 0.35 C ATOM 233 O SER A 113 -4.359 -11.557 3.315 1.00 0.40 O ATOM 234 CB SER A 113 -7.233 -10.553 2.751 1.00 0.44 C ATOM 235 OG SER A 113 -8.613 -10.550 3.079 1.00 0.55 O ATOM 0 H SER A 113 -6.849 -8.395 4.108 1.00 0.44 H new ATOM 0 HA SER A 113 -6.575 -11.271 4.675 1.00 0.43 H new ATOM 0 HB2 SER A 113 -7.014 -9.725 2.076 1.00 0.44 H new ATOM 0 HB3 SER A 113 -6.984 -11.472 2.220 1.00 0.44 H new ATOM 0 HG SER A 113 -8.944 -9.628 3.093 1.00 0.55 H new ATOM 241 N LEU A 114 -4.235 -9.344 3.662 1.00 0.27 N ATOM 242 CA LEU A 114 -2.847 -9.245 3.245 1.00 0.23 C ATOM 243 C LEU A 114 -1.930 -9.850 4.300 1.00 0.27 C ATOM 244 O LEU A 114 -2.199 -9.761 5.499 1.00 0.31 O ATOM 245 CB LEU A 114 -2.479 -7.785 3.001 1.00 0.17 C ATOM 246 CG LEU A 114 -1.278 -7.554 2.081 1.00 0.14 C ATOM 247 CD1 LEU A 114 -1.665 -7.757 0.625 1.00 0.14 C ATOM 248 CD2 LEU A 114 -0.717 -6.162 2.280 1.00 0.16 C ATOM 0 H LEU A 114 -4.644 -8.464 3.977 1.00 0.27 H new ATOM 0 HA LEU A 114 -2.720 -9.802 2.317 1.00 0.23 H new ATOM 0 HB2 LEU A 114 -3.344 -7.277 2.575 1.00 0.17 H new ATOM 0 HB3 LEU A 114 -2.274 -7.314 3.963 1.00 0.17 H new ATOM 0 HG LEU A 114 -0.510 -8.283 2.340 1.00 0.14 H new ATOM 0 HD11 LEU A 114 -0.795 -7.587 -0.010 1.00 0.14 H new ATOM 0 HD12 LEU A 114 -2.025 -8.776 0.483 1.00 0.14 H new ATOM 0 HD13 LEU A 114 -2.453 -7.053 0.356 1.00 0.14 H new ATOM 0 HD21 LEU A 114 0.136 -6.016 1.618 1.00 0.16 H new ATOM 0 HD22 LEU A 114 -1.485 -5.424 2.050 1.00 0.16 H new ATOM 0 HD23 LEU A 114 -0.397 -6.043 3.315 1.00 0.16 H new ATOM 260 N ASP A 115 -0.864 -10.485 3.838 1.00 0.29 N ATOM 261 CA ASP A 115 0.096 -11.128 4.723 1.00 0.34 C ATOM 262 C ASP A 115 0.949 -10.076 5.432 1.00 0.33 C ATOM 263 O ASP A 115 1.523 -9.195 4.787 1.00 0.29 O ATOM 264 CB ASP A 115 0.992 -12.075 3.919 1.00 0.37 C ATOM 265 CG ASP A 115 1.757 -13.049 4.792 1.00 0.49 C ATOM 266 OD1 ASP A 115 1.517 -14.269 4.671 1.00 1.23 O ATOM 267 OD2 ASP A 115 2.604 -12.610 5.592 1.00 1.21 O ATOM 0 H ASP A 115 -0.640 -10.569 2.846 1.00 0.29 H new ATOM 0 HA ASP A 115 -0.446 -11.702 5.474 1.00 0.34 H new ATOM 0 HB2 ASP A 115 0.379 -12.634 3.212 1.00 0.37 H new ATOM 0 HB3 ASP A 115 1.699 -11.488 3.333 1.00 0.37 H new ATOM 272 N PRO A 116 1.050 -10.167 6.771 1.00 0.41 N ATOM 273 CA PRO A 116 1.791 -9.200 7.599 1.00 0.46 C ATOM 274 C PRO A 116 3.281 -9.142 7.269 1.00 0.42 C ATOM 275 O PRO A 116 3.967 -8.198 7.662 1.00 0.47 O ATOM 276 CB PRO A 116 1.581 -9.708 9.029 1.00 0.55 C ATOM 277 CG PRO A 116 1.242 -11.145 8.867 1.00 0.55 C ATOM 278 CD PRO A 116 0.447 -11.227 7.596 1.00 0.50 C ATOM 0 HA PRO A 116 1.432 -8.184 7.433 1.00 0.46 H new ATOM 0 HB2 PRO A 116 2.479 -9.578 9.632 1.00 0.55 H new ATOM 0 HB3 PRO A 116 0.779 -9.165 9.529 1.00 0.55 H new ATOM 0 HG2 PRO A 116 2.142 -11.757 8.807 1.00 0.55 H new ATOM 0 HG3 PRO A 116 0.664 -11.510 9.716 1.00 0.55 H new ATOM 0 HD2 PRO A 116 0.535 -12.206 7.125 1.00 0.50 H new ATOM 0 HD3 PRO A 116 -0.615 -11.051 7.770 1.00 0.50 H new ATOM 286 N SER A 117 3.779 -10.154 6.560 1.00 0.36 N ATOM 287 CA SER A 117 5.181 -10.184 6.155 1.00 0.37 C ATOM 288 C SER A 117 5.513 -8.986 5.262 1.00 0.38 C ATOM 289 O SER A 117 6.671 -8.583 5.142 1.00 0.56 O ATOM 290 CB SER A 117 5.493 -11.488 5.421 1.00 0.37 C ATOM 291 OG SER A 117 5.075 -12.610 6.181 1.00 1.30 O ATOM 0 H SER A 117 3.234 -10.961 6.256 1.00 0.36 H new ATOM 0 HA SER A 117 5.797 -10.127 7.052 1.00 0.37 H new ATOM 0 HB2 SER A 117 4.993 -11.493 4.453 1.00 0.37 H new ATOM 0 HB3 SER A 117 6.564 -11.554 5.227 1.00 0.37 H new ATOM 0 HG SER A 117 4.231 -12.953 5.820 1.00 1.30 H new ATOM 297 N PHE A 118 4.483 -8.414 4.654 1.00 0.28 N ATOM 298 CA PHE A 118 4.644 -7.224 3.834 1.00 0.32 C ATOM 299 C PHE A 118 4.354 -5.992 4.674 1.00 0.44 C ATOM 300 O PHE A 118 3.231 -5.488 4.692 1.00 0.94 O ATOM 301 CB PHE A 118 3.705 -7.269 2.632 1.00 0.27 C ATOM 302 CG PHE A 118 3.867 -8.498 1.791 1.00 0.23 C ATOM 303 CD1 PHE A 118 4.637 -8.468 0.644 1.00 1.22 C ATOM 304 CD2 PHE A 118 3.246 -9.682 2.148 1.00 1.21 C ATOM 305 CE1 PHE A 118 4.783 -9.596 -0.134 1.00 1.21 C ATOM 306 CE2 PHE A 118 3.389 -10.813 1.378 1.00 1.23 C ATOM 307 CZ PHE A 118 4.159 -10.774 0.233 1.00 0.28 C ATOM 0 H PHE A 118 3.524 -8.757 4.714 1.00 0.28 H new ATOM 0 HA PHE A 118 5.669 -7.183 3.466 1.00 0.32 H new ATOM 0 HB2 PHE A 118 2.675 -7.213 2.984 1.00 0.27 H new ATOM 0 HB3 PHE A 118 3.879 -6.389 2.012 1.00 0.27 H new ATOM 0 HD1 PHE A 118 5.129 -7.551 0.354 1.00 1.22 H new ATOM 0 HD2 PHE A 118 2.642 -9.719 3.042 1.00 1.21 H new ATOM 0 HE1 PHE A 118 5.385 -9.560 -1.030 1.00 1.21 H new ATOM 0 HE2 PHE A 118 2.899 -11.731 1.669 1.00 1.23 H new ATOM 0 HZ PHE A 118 4.274 -11.660 -0.374 1.00 0.28 H new ATOM 317 N THR A 119 5.373 -5.526 5.376 1.00 0.39 N ATOM 318 CA THR A 119 5.231 -4.421 6.307 1.00 0.39 C ATOM 319 C THR A 119 4.683 -3.167 5.633 1.00 0.42 C ATOM 320 O THR A 119 3.674 -2.616 6.066 1.00 0.45 O ATOM 321 CB THR A 119 6.580 -4.083 6.963 1.00 0.44 C ATOM 322 OG1 THR A 119 7.115 -5.245 7.613 1.00 0.48 O ATOM 323 CG2 THR A 119 6.423 -2.950 7.966 1.00 0.45 C ATOM 0 H THR A 119 6.319 -5.902 5.317 1.00 0.39 H new ATOM 0 HA THR A 119 4.519 -4.746 7.066 1.00 0.39 H new ATOM 0 HB THR A 119 7.270 -3.759 6.184 1.00 0.44 H new ATOM 0 HG1 THR A 119 7.975 -5.022 8.027 1.00 0.48 H new ATOM 0 HG21 THR A 119 7.390 -2.728 8.418 1.00 0.45 H new ATOM 0 HG22 THR A 119 6.048 -2.062 7.457 1.00 0.45 H new ATOM 0 HG23 THR A 119 5.719 -3.247 8.743 1.00 0.45 H new ATOM 331 N HIS A 120 5.343 -2.722 4.577 1.00 0.44 N ATOM 332 CA HIS A 120 4.985 -1.469 3.933 1.00 0.51 C ATOM 333 C HIS A 120 3.656 -1.582 3.203 1.00 0.47 C ATOM 334 O HIS A 120 2.847 -0.661 3.242 1.00 0.57 O ATOM 335 CB HIS A 120 6.093 -1.018 2.989 1.00 0.60 C ATOM 336 CG HIS A 120 7.376 -0.730 3.702 1.00 0.92 C ATOM 337 ND1 HIS A 120 7.488 0.201 4.715 1.00 1.09 N ATOM 338 CD2 HIS A 120 8.595 -1.294 3.578 1.00 1.19 C ATOM 339 CE1 HIS A 120 8.724 0.193 5.179 1.00 1.40 C ATOM 340 NE2 HIS A 120 9.419 -0.708 4.511 1.00 1.47 N ATOM 0 H HIS A 120 6.129 -3.209 4.147 1.00 0.44 H new ATOM 0 HA HIS A 120 4.868 -0.712 4.709 1.00 0.51 H new ATOM 0 HB2 HIS A 120 6.264 -1.791 2.240 1.00 0.60 H new ATOM 0 HB3 HIS A 120 5.769 -0.124 2.456 1.00 0.60 H new ATOM 0 HD1 HIS A 120 6.735 0.801 5.052 1.00 1.09 H new ATOM 0 HD2 HIS A 120 8.873 -2.065 2.875 1.00 1.19 H new ATOM 0 HE1 HIS A 120 9.103 0.819 5.973 1.00 1.40 H new ATOM 349 N ALA A 121 3.432 -2.714 2.551 1.00 0.37 N ATOM 350 CA ALA A 121 2.159 -2.974 1.886 1.00 0.34 C ATOM 351 C ALA A 121 1.017 -2.917 2.887 1.00 0.38 C ATOM 352 O ALA A 121 -0.045 -2.357 2.619 1.00 0.47 O ATOM 353 CB ALA A 121 2.197 -4.325 1.197 1.00 0.27 C ATOM 0 H ALA A 121 4.114 -3.468 2.467 1.00 0.37 H new ATOM 0 HA ALA A 121 1.993 -2.204 1.133 1.00 0.34 H new ATOM 0 HB1 ALA A 121 1.242 -4.509 0.704 1.00 0.27 H new ATOM 0 HB2 ALA A 121 2.996 -4.333 0.455 1.00 0.27 H new ATOM 0 HB3 ALA A 121 2.380 -5.105 1.936 1.00 0.27 H new ATOM 359 N MET A 122 1.268 -3.482 4.054 1.00 0.35 N ATOM 360 CA MET A 122 0.304 -3.476 5.143 1.00 0.34 C ATOM 361 C MET A 122 0.157 -2.079 5.731 1.00 0.39 C ATOM 362 O MET A 122 -0.944 -1.642 6.076 1.00 0.41 O ATOM 363 CB MET A 122 0.742 -4.467 6.221 1.00 0.37 C ATOM 364 CG MET A 122 0.388 -5.910 5.913 1.00 0.38 C ATOM 365 SD MET A 122 -1.244 -6.382 6.527 1.00 0.49 S ATOM 366 CE MET A 122 -2.292 -5.176 5.720 1.00 0.63 C ATOM 0 H MET A 122 2.143 -3.957 4.275 1.00 0.35 H new ATOM 0 HA MET A 122 -0.668 -3.778 4.753 1.00 0.34 H new ATOM 0 HB2 MET A 122 1.821 -4.389 6.355 1.00 0.37 H new ATOM 0 HB3 MET A 122 0.282 -4.185 7.168 1.00 0.37 H new ATOM 0 HG2 MET A 122 0.423 -6.065 4.835 1.00 0.38 H new ATOM 0 HG3 MET A 122 1.140 -6.565 6.354 1.00 0.38 H new ATOM 0 HE1 MET A 122 -3.335 -5.379 5.964 1.00 0.63 H new ATOM 0 HE2 MET A 122 -2.027 -4.176 6.063 1.00 0.63 H new ATOM 0 HE3 MET A 122 -2.154 -5.238 4.641 1.00 0.63 H new ATOM 376 N GLN A 123 1.276 -1.385 5.824 1.00 0.44 N ATOM 377 CA GLN A 123 1.305 -0.043 6.381 1.00 0.53 C ATOM 378 C GLN A 123 0.601 0.963 5.469 1.00 0.54 C ATOM 379 O GLN A 123 -0.166 1.801 5.946 1.00 0.62 O ATOM 380 CB GLN A 123 2.751 0.355 6.686 1.00 0.65 C ATOM 381 CG GLN A 123 3.016 1.848 6.728 1.00 0.83 C ATOM 382 CD GLN A 123 4.476 2.151 6.991 1.00 1.12 C ATOM 383 OE1 GLN A 123 5.282 2.241 6.061 1.00 1.60 O ATOM 384 NE2 GLN A 123 4.832 2.303 8.255 1.00 1.76 N ATOM 0 H GLN A 123 2.185 -1.731 5.518 1.00 0.44 H new ATOM 0 HA GLN A 123 0.747 -0.036 7.318 1.00 0.53 H new ATOM 0 HB2 GLN A 123 3.034 -0.075 7.647 1.00 0.65 H new ATOM 0 HB3 GLN A 123 3.400 -0.092 5.933 1.00 0.65 H new ATOM 0 HG2 GLN A 123 2.716 2.298 5.781 1.00 0.83 H new ATOM 0 HG3 GLN A 123 2.404 2.304 7.506 1.00 0.83 H new ATOM 0 HE21 GLN A 123 4.135 2.221 8.995 1.00 1.76 H new ATOM 0 HE22 GLN A 123 5.804 2.503 8.491 1.00 1.76 H new ATOM 393 N LEU A 124 0.835 0.873 4.169 1.00 0.49 N ATOM 394 CA LEU A 124 0.216 1.803 3.229 1.00 0.50 C ATOM 395 C LEU A 124 -1.297 1.591 3.174 1.00 0.45 C ATOM 396 O LEU A 124 -2.064 2.550 3.056 1.00 0.52 O ATOM 397 CB LEU A 124 0.860 1.681 1.849 1.00 0.50 C ATOM 398 CG LEU A 124 2.352 2.021 1.810 1.00 0.56 C ATOM 399 CD1 LEU A 124 2.976 1.550 0.507 1.00 0.49 C ATOM 400 CD2 LEU A 124 2.562 3.518 1.991 1.00 0.83 C ATOM 0 H LEU A 124 1.442 0.174 3.741 1.00 0.49 H new ATOM 0 HA LEU A 124 0.387 2.820 3.580 1.00 0.50 H new ATOM 0 HB2 LEU A 124 0.723 0.662 1.488 1.00 0.50 H new ATOM 0 HB3 LEU A 124 0.333 2.338 1.157 1.00 0.50 H new ATOM 0 HG LEU A 124 2.843 1.501 2.632 1.00 0.56 H new ATOM 0 HD11 LEU A 124 4.037 1.801 0.500 1.00 0.49 H new ATOM 0 HD12 LEU A 124 2.858 0.470 0.417 1.00 0.49 H new ATOM 0 HD13 LEU A 124 2.481 2.040 -0.331 1.00 0.49 H new ATOM 0 HD21 LEU A 124 3.628 3.742 1.961 1.00 0.83 H new ATOM 0 HD22 LEU A 124 2.055 4.056 1.190 1.00 0.83 H new ATOM 0 HD23 LEU A 124 2.153 3.829 2.952 1.00 0.83 H new ATOM 412 N LEU A 125 -1.719 0.331 3.285 1.00 0.37 N ATOM 413 CA LEU A 125 -3.141 -0.003 3.338 1.00 0.35 C ATOM 414 C LEU A 125 -3.758 0.604 4.585 1.00 0.46 C ATOM 415 O LEU A 125 -4.880 1.103 4.563 1.00 0.52 O ATOM 416 CB LEU A 125 -3.353 -1.519 3.367 1.00 0.28 C ATOM 417 CG LEU A 125 -3.318 -2.232 2.021 1.00 0.25 C ATOM 418 CD1 LEU A 125 -3.264 -3.733 2.243 1.00 0.21 C ATOM 419 CD2 LEU A 125 -4.540 -1.863 1.194 1.00 0.33 C ATOM 0 H LEU A 125 -1.096 -0.475 3.340 1.00 0.37 H new ATOM 0 HA LEU A 125 -3.617 0.399 2.444 1.00 0.35 H new ATOM 0 HB2 LEU A 125 -2.588 -1.959 4.007 1.00 0.28 H new ATOM 0 HB3 LEU A 125 -4.316 -1.721 3.836 1.00 0.28 H new ATOM 0 HG LEU A 125 -2.428 -1.919 1.474 1.00 0.25 H new ATOM 0 HD11 LEU A 125 -3.239 -4.243 1.280 1.00 0.21 H new ATOM 0 HD12 LEU A 125 -2.368 -3.985 2.810 1.00 0.21 H new ATOM 0 HD13 LEU A 125 -4.146 -4.051 2.799 1.00 0.21 H new ATOM 0 HD21 LEU A 125 -4.500 -2.380 0.235 1.00 0.33 H new ATOM 0 HD22 LEU A 125 -5.443 -2.158 1.728 1.00 0.33 H new ATOM 0 HD23 LEU A 125 -4.553 -0.786 1.025 1.00 0.33 H new ATOM 431 N THR A 126 -2.996 0.574 5.665 1.00 0.55 N ATOM 432 CA THR A 126 -3.480 1.076 6.935 1.00 0.74 C ATOM 433 C THR A 126 -3.673 2.588 6.871 1.00 0.92 C ATOM 434 O THR A 126 -4.719 3.113 7.256 1.00 1.07 O ATOM 435 CB THR A 126 -2.503 0.722 8.074 1.00 0.81 C ATOM 436 OG1 THR A 126 -2.401 -0.703 8.200 1.00 0.86 O ATOM 437 CG2 THR A 126 -2.955 1.325 9.395 1.00 0.91 C ATOM 0 H THR A 126 -2.044 0.209 5.686 1.00 0.55 H new ATOM 0 HA THR A 126 -4.440 0.602 7.140 1.00 0.74 H new ATOM 0 HB THR A 126 -1.527 1.139 7.827 1.00 0.81 H new ATOM 0 HG1 THR A 126 -1.769 -1.046 7.534 1.00 0.86 H new ATOM 0 HG21 THR A 126 -2.246 1.058 10.178 1.00 0.91 H new ATOM 0 HG22 THR A 126 -3.002 2.410 9.303 1.00 0.91 H new ATOM 0 HG23 THR A 126 -3.942 0.940 9.652 1.00 0.91 H new ATOM 445 N ALA A 127 -2.666 3.269 6.338 1.00 0.96 N ATOM 446 CA ALA A 127 -2.662 4.722 6.276 1.00 1.09 C ATOM 447 C ALA A 127 -3.804 5.263 5.419 1.00 1.18 C ATOM 448 O ALA A 127 -4.477 6.219 5.803 1.00 1.38 O ATOM 449 CB ALA A 127 -1.324 5.202 5.738 1.00 1.18 C ATOM 0 H ALA A 127 -1.835 2.832 5.940 1.00 0.96 H new ATOM 0 HA ALA A 127 -2.812 5.103 7.286 1.00 1.09 H new ATOM 0 HB1 ALA A 127 -1.320 6.291 5.691 1.00 1.18 H new ATOM 0 HB2 ALA A 127 -0.524 4.864 6.397 1.00 1.18 H new ATOM 0 HB3 ALA A 127 -1.166 4.795 4.739 1.00 1.18 H new ATOM 455 N GLU A 128 -4.015 4.656 4.251 1.00 1.13 N ATOM 456 CA GLU A 128 -5.060 5.116 3.338 1.00 1.31 C ATOM 457 C GLU A 128 -6.435 5.000 3.985 1.00 1.38 C ATOM 458 O GLU A 128 -7.300 5.856 3.797 1.00 1.61 O ATOM 459 CB GLU A 128 -5.044 4.323 2.038 1.00 1.35 C ATOM 460 CG GLU A 128 -5.841 4.988 0.930 1.00 1.47 C ATOM 461 CD GLU A 128 -5.189 6.265 0.432 1.00 1.46 C ATOM 462 OE1 GLU A 128 -3.942 6.366 0.481 1.00 2.02 O ATOM 463 OE2 GLU A 128 -5.916 7.173 -0.012 1.00 1.95 O ATOM 0 H GLU A 128 -3.482 3.853 3.918 1.00 1.13 H new ATOM 0 HA GLU A 128 -4.857 6.163 3.114 1.00 1.31 H new ATOM 0 HB2 GLU A 128 -4.013 4.194 1.710 1.00 1.35 H new ATOM 0 HB3 GLU A 128 -5.447 3.327 2.221 1.00 1.35 H new ATOM 0 HG2 GLU A 128 -5.952 4.292 0.098 1.00 1.47 H new ATOM 0 HG3 GLU A 128 -6.844 5.213 1.293 1.00 1.47 H new ATOM 470 N ILE A 129 -6.616 3.942 4.758 1.00 1.24 N ATOM 471 CA ILE A 129 -7.859 3.739 5.480 1.00 1.42 C ATOM 472 C ILE A 129 -8.066 4.853 6.494 1.00 1.64 C ATOM 473 O ILE A 129 -9.169 5.383 6.630 1.00 1.92 O ATOM 474 CB ILE A 129 -7.886 2.362 6.177 1.00 1.32 C ATOM 475 CG1 ILE A 129 -7.867 1.261 5.121 1.00 1.14 C ATOM 476 CG2 ILE A 129 -9.112 2.225 7.071 1.00 1.59 C ATOM 477 CD1 ILE A 129 -7.721 -0.128 5.686 1.00 1.01 C ATOM 0 H ILE A 129 -5.918 3.212 4.901 1.00 1.24 H new ATOM 0 HA ILE A 129 -8.675 3.762 4.758 1.00 1.42 H new ATOM 0 HB ILE A 129 -7.004 2.270 6.811 1.00 1.32 H new ATOM 0 HG12 ILE A 129 -8.789 1.311 4.542 1.00 1.14 H new ATOM 0 HG13 ILE A 129 -7.046 1.449 4.430 1.00 1.14 H new ATOM 0 HG21 ILE A 129 -9.106 1.246 7.550 1.00 1.59 H new ATOM 0 HG22 ILE A 129 -9.094 3.002 7.835 1.00 1.59 H new ATOM 0 HG23 ILE A 129 -10.015 2.329 6.469 1.00 1.59 H new ATOM 0 HD11 ILE A 129 -7.716 -0.853 4.872 1.00 1.01 H new ATOM 0 HD12 ILE A 129 -6.785 -0.199 6.241 1.00 1.01 H new ATOM 0 HD13 ILE A 129 -8.556 -0.338 6.354 1.00 1.01 H new ATOM 489 N GLU A 130 -6.989 5.235 7.167 1.00 1.56 N ATOM 490 CA GLU A 130 -7.019 6.326 8.131 1.00 1.76 C ATOM 491 C GLU A 130 -7.483 7.622 7.468 1.00 1.94 C ATOM 492 O GLU A 130 -8.253 8.386 8.049 1.00 2.19 O ATOM 493 CB GLU A 130 -5.633 6.520 8.747 1.00 1.67 C ATOM 494 CG GLU A 130 -5.160 5.324 9.555 1.00 1.60 C ATOM 495 CD GLU A 130 -3.846 5.581 10.258 1.00 1.81 C ATOM 496 OE1 GLU A 130 -2.786 5.260 9.687 1.00 2.25 O ATOM 497 OE2 GLU A 130 -3.868 6.119 11.388 1.00 2.15 O ATOM 0 H GLU A 130 -6.073 4.799 7.061 1.00 1.56 H new ATOM 0 HA GLU A 130 -7.727 6.069 8.919 1.00 1.76 H new ATOM 0 HB2 GLU A 130 -4.915 6.719 7.952 1.00 1.67 H new ATOM 0 HB3 GLU A 130 -5.649 7.400 9.390 1.00 1.67 H new ATOM 0 HG2 GLU A 130 -5.919 5.066 10.294 1.00 1.60 H new ATOM 0 HG3 GLU A 130 -5.052 4.463 8.895 1.00 1.60 H new ATOM 504 N LYS A 131 -7.017 7.850 6.240 1.00 1.85 N ATOM 505 CA LYS A 131 -7.379 9.045 5.472 1.00 2.07 C ATOM 506 C LYS A 131 -8.883 9.104 5.229 1.00 2.28 C ATOM 507 O LYS A 131 -9.502 10.162 5.333 1.00 2.54 O ATOM 508 CB LYS A 131 -6.661 9.053 4.120 1.00 2.03 C ATOM 509 CG LYS A 131 -5.152 8.944 4.217 1.00 2.33 C ATOM 510 CD LYS A 131 -4.529 8.825 2.837 1.00 2.59 C ATOM 511 CE LYS A 131 -3.040 8.555 2.919 1.00 3.17 C ATOM 512 NZ LYS A 131 -2.441 8.319 1.578 1.00 3.73 N ATOM 0 H LYS A 131 -6.383 7.218 5.751 1.00 1.85 H new ATOM 0 HA LYS A 131 -7.074 9.913 6.056 1.00 2.07 H new ATOM 0 HB2 LYS A 131 -7.036 8.226 3.517 1.00 2.03 H new ATOM 0 HB3 LYS A 131 -6.914 9.972 3.592 1.00 2.03 H new ATOM 0 HG2 LYS A 131 -4.752 9.820 4.727 1.00 2.33 H new ATOM 0 HG3 LYS A 131 -4.884 8.075 4.818 1.00 2.33 H new ATOM 0 HD2 LYS A 131 -5.016 8.020 2.286 1.00 2.59 H new ATOM 0 HD3 LYS A 131 -4.702 9.745 2.278 1.00 2.59 H new ATOM 0 HE2 LYS A 131 -2.544 9.402 3.394 1.00 3.17 H new ATOM 0 HE3 LYS A 131 -2.864 7.686 3.553 1.00 3.17 H new ATOM 0 HZ1 LYS A 131 -1.580 7.745 1.679 1.00 3.73 H new ATOM 0 HZ2 LYS A 131 -3.124 7.816 0.976 1.00 3.73 H new ATOM 0 HZ3 LYS A 131 -2.199 9.231 1.140 1.00 3.73 H new ATOM 526 N ILE A 132 -9.462 7.973 4.871 1.00 2.21 N ATOM 527 CA ILE A 132 -10.896 7.901 4.647 1.00 2.47 C ATOM 528 C ILE A 132 -11.656 7.981 5.972 1.00 2.68 C ATOM 529 O ILE A 132 -12.638 8.711 6.092 1.00 2.98 O ATOM 530 CB ILE A 132 -11.283 6.598 3.928 1.00 2.40 C ATOM 531 CG1 ILE A 132 -10.300 6.309 2.790 1.00 2.18 C ATOM 532 CG2 ILE A 132 -12.711 6.686 3.405 1.00 2.72 C ATOM 533 CD1 ILE A 132 -10.627 5.064 2.002 1.00 2.19 C ATOM 0 H ILE A 132 -8.965 7.094 4.729 1.00 2.21 H new ATOM 0 HA ILE A 132 -11.167 8.749 4.018 1.00 2.47 H new ATOM 0 HB ILE A 132 -11.233 5.774 4.640 1.00 2.40 H new ATOM 0 HG12 ILE A 132 -10.283 7.162 2.112 1.00 2.18 H new ATOM 0 HG13 ILE A 132 -9.297 6.212 3.205 1.00 2.18 H new ATOM 0 HG21 ILE A 132 -12.971 5.757 2.898 1.00 2.72 H new ATOM 0 HG22 ILE A 132 -13.394 6.848 4.238 1.00 2.72 H new ATOM 0 HG23 ILE A 132 -12.791 7.516 2.703 1.00 2.72 H new ATOM 0 HD11 ILE A 132 -9.886 4.927 1.214 1.00 2.19 H new ATOM 0 HD12 ILE A 132 -10.615 4.200 2.666 1.00 2.19 H new ATOM 0 HD13 ILE A 132 -11.616 5.165 1.556 1.00 2.19 H new ATOM 545 N GLN A 133 -11.179 7.234 6.966 1.00 2.56 N ATOM 546 CA GLN A 133 -11.841 7.158 8.272 1.00 2.81 C ATOM 547 C GLN A 133 -11.901 8.511 8.975 1.00 2.98 C ATOM 548 O GLN A 133 -12.876 8.814 9.664 1.00 3.27 O ATOM 549 CB GLN A 133 -11.135 6.147 9.179 1.00 2.72 C ATOM 550 CG GLN A 133 -11.295 4.700 8.739 1.00 2.73 C ATOM 551 CD GLN A 133 -12.716 4.184 8.868 1.00 2.94 C ATOM 552 OE1 GLN A 133 -13.687 4.933 8.746 1.00 3.49 O ATOM 553 NE2 GLN A 133 -12.846 2.894 9.122 1.00 2.90 N ATOM 0 H GLN A 133 -10.333 6.669 6.893 1.00 2.56 H new ATOM 0 HA GLN A 133 -12.864 6.832 8.082 1.00 2.81 H new ATOM 0 HB2 GLN A 133 -10.073 6.389 9.217 1.00 2.72 H new ATOM 0 HB3 GLN A 133 -11.522 6.252 10.193 1.00 2.72 H new ATOM 0 HG2 GLN A 133 -10.975 4.606 7.701 1.00 2.73 H new ATOM 0 HG3 GLN A 133 -10.633 4.072 9.335 1.00 2.73 H new ATOM 0 HE21 GLN A 133 -12.017 2.307 9.216 1.00 2.90 H new ATOM 0 HE22 GLN A 133 -13.775 2.485 9.224 1.00 2.90 H new ATOM 562 N LYS A 134 -10.858 9.316 8.815 1.00 2.82 N ATOM 563 CA LYS A 134 -10.805 10.629 9.462 1.00 3.02 C ATOM 564 C LYS A 134 -11.856 11.565 8.880 1.00 3.29 C ATOM 565 O LYS A 134 -12.392 12.425 9.579 1.00 3.54 O ATOM 566 CB LYS A 134 -9.423 11.272 9.309 1.00 2.88 C ATOM 567 CG LYS A 134 -9.011 11.489 7.864 1.00 2.85 C ATOM 568 CD LYS A 134 -7.800 12.396 7.740 1.00 2.90 C ATOM 569 CE LYS A 134 -8.172 13.862 7.899 1.00 3.30 C ATOM 570 NZ LYS A 134 -9.078 14.328 6.814 1.00 3.82 N ATOM 0 H LYS A 134 -10.041 9.089 8.248 1.00 2.82 H new ATOM 0 HA LYS A 134 -11.007 10.471 10.521 1.00 3.02 H new ATOM 0 HB2 LYS A 134 -9.418 12.231 9.828 1.00 2.88 H new ATOM 0 HB3 LYS A 134 -8.681 10.641 9.799 1.00 2.88 H new ATOM 0 HG2 LYS A 134 -8.790 10.526 7.403 1.00 2.85 H new ATOM 0 HG3 LYS A 134 -9.845 11.923 7.312 1.00 2.85 H new ATOM 0 HD2 LYS A 134 -7.064 12.124 8.496 1.00 2.90 H new ATOM 0 HD3 LYS A 134 -7.330 12.244 6.768 1.00 2.90 H new ATOM 0 HE2 LYS A 134 -8.656 14.011 8.864 1.00 3.30 H new ATOM 0 HE3 LYS A 134 -7.266 14.468 7.900 1.00 3.30 H new ATOM 0 HZ1 LYS A 134 -8.928 15.344 6.648 1.00 3.82 H new ATOM 0 HZ2 LYS A 134 -8.874 13.801 5.941 1.00 3.82 H new ATOM 0 HZ3 LYS A 134 -10.066 14.165 7.093 1.00 3.82 H new ATOM 584 N GLY A 135 -12.156 11.388 7.605 1.00 3.29 N ATOM 585 CA GLY A 135 -13.054 12.296 6.940 1.00 3.59 C ATOM 586 C GLY A 135 -12.303 13.278 6.074 1.00 4.02 C ATOM 587 O GLY A 135 -11.830 14.302 6.604 1.00 4.46 O ATOM 588 OXT GLY A 135 -12.185 13.036 4.859 1.00 4.40 O ATOM 0 H GLY A 135 -11.794 10.633 7.022 1.00 3.29 H new ATOM 0 HA2 GLY A 135 -13.757 11.731 6.327 1.00 3.59 H new ATOM 0 HA3 GLY A 135 -13.641 12.838 7.682 1.00 3.59 H new TER 592 GLY A 135 ATOM 593 N PRO B 99 18.538 2.770 6.543 1.00 4.97 N ATOM 594 CA PRO B 99 18.822 3.768 5.519 1.00 4.83 C ATOM 595 C PRO B 99 17.548 4.192 4.800 1.00 4.33 C ATOM 596 O PRO B 99 16.783 3.357 4.312 1.00 4.07 O ATOM 597 CB PRO B 99 19.790 3.064 4.567 1.00 5.14 C ATOM 598 CG PRO B 99 19.598 1.607 4.804 1.00 5.27 C ATOM 599 CD PRO B 99 19.089 1.451 6.210 1.00 5.29 C ATOM 0 HA PRO B 99 19.243 4.684 5.934 1.00 4.83 H new ATOM 0 HB2 PRO B 99 19.578 3.323 3.530 1.00 5.14 H new ATOM 0 HB3 PRO B 99 20.820 3.361 4.765 1.00 5.14 H new ATOM 0 HG2 PRO B 99 18.888 1.191 4.089 1.00 5.27 H new ATOM 0 HG3 PRO B 99 20.536 1.068 4.672 1.00 5.27 H new ATOM 0 HD2 PRO B 99 18.327 0.674 6.274 1.00 5.29 H new ATOM 0 HD3 PRO B 99 19.889 1.170 6.894 1.00 5.29 H new ATOM 607 N GLU B 100 17.342 5.496 4.733 1.00 4.31 N ATOM 608 CA GLU B 100 16.077 6.070 4.281 1.00 4.02 C ATOM 609 C GLU B 100 15.832 5.828 2.790 1.00 3.83 C ATOM 610 O GLU B 100 14.692 5.861 2.330 1.00 3.64 O ATOM 611 CB GLU B 100 16.051 7.569 4.590 1.00 4.28 C ATOM 612 CG GLU B 100 14.701 8.224 4.345 1.00 4.51 C ATOM 613 CD GLU B 100 14.685 9.682 4.744 1.00 4.77 C ATOM 614 OE1 GLU B 100 14.926 10.545 3.873 1.00 4.99 O ATOM 615 OE2 GLU B 100 14.435 9.973 5.934 1.00 5.14 O ATOM 0 H GLU B 100 18.044 6.190 4.989 1.00 4.31 H new ATOM 0 HA GLU B 100 15.273 5.570 4.821 1.00 4.02 H new ATOM 0 HB2 GLU B 100 16.334 7.720 5.632 1.00 4.28 H new ATOM 0 HB3 GLU B 100 16.803 8.069 3.980 1.00 4.28 H new ATOM 0 HG2 GLU B 100 14.444 8.137 3.289 1.00 4.51 H new ATOM 0 HG3 GLU B 100 13.934 7.689 4.905 1.00 4.51 H new ATOM 622 N ASN B 101 16.888 5.559 2.038 1.00 4.05 N ATOM 623 CA ASN B 101 16.780 5.313 0.605 1.00 4.09 C ATOM 624 C ASN B 101 16.458 3.849 0.363 1.00 3.98 C ATOM 625 O ASN B 101 15.675 3.511 -0.524 1.00 4.07 O ATOM 626 CB ASN B 101 18.070 5.706 -0.126 1.00 4.55 C ATOM 627 CG ASN B 101 17.983 5.472 -1.626 1.00 4.75 C ATOM 628 OD1 ASN B 101 18.300 4.390 -2.114 1.00 5.19 O ATOM 629 ND2 ASN B 101 17.565 6.485 -2.372 1.00 4.68 N ATOM 0 H ASN B 101 17.840 5.505 2.400 1.00 4.05 H new ATOM 0 HA ASN B 101 15.975 5.931 0.208 1.00 4.09 H new ATOM 0 HB2 ASN B 101 18.285 6.758 0.063 1.00 4.55 H new ATOM 0 HB3 ASN B 101 18.903 5.133 0.280 1.00 4.55 H new ATOM 0 HD21 ASN B 101 17.499 6.380 -3.384 1.00 4.68 H new ATOM 0 HD22 ASN B 101 17.310 7.370 -1.934 1.00 4.68 H new ATOM 636 N LYS B 102 17.064 2.979 1.168 1.00 3.93 N ATOM 637 CA LYS B 102 16.816 1.543 1.088 1.00 3.87 C ATOM 638 C LYS B 102 15.365 1.194 1.448 1.00 3.43 C ATOM 639 O LYS B 102 14.981 0.028 1.451 1.00 3.32 O ATOM 640 CB LYS B 102 17.783 0.780 1.997 1.00 4.20 C ATOM 641 CG LYS B 102 18.022 -0.652 1.550 1.00 4.62 C ATOM 642 CD LYS B 102 18.931 -1.406 2.505 1.00 5.18 C ATOM 643 CE LYS B 102 19.278 -2.778 1.957 1.00 5.68 C ATOM 644 NZ LYS B 102 20.024 -3.603 2.939 1.00 6.27 N ATOM 0 H LYS B 102 17.735 3.247 1.888 1.00 3.93 H new ATOM 0 HA LYS B 102 16.984 1.241 0.054 1.00 3.87 H new ATOM 0 HB2 LYS B 102 18.736 1.308 2.027 1.00 4.20 H new ATOM 0 HB3 LYS B 102 17.389 0.775 3.013 1.00 4.20 H new ATOM 0 HG2 LYS B 102 17.067 -1.171 1.474 1.00 4.62 H new ATOM 0 HG3 LYS B 102 18.465 -0.651 0.554 1.00 4.62 H new ATOM 0 HD2 LYS B 102 19.845 -0.835 2.670 1.00 5.18 H new ATOM 0 HD3 LYS B 102 18.441 -1.510 3.473 1.00 5.18 H new ATOM 0 HE2 LYS B 102 18.362 -3.296 1.672 1.00 5.68 H new ATOM 0 HE3 LYS B 102 19.875 -2.665 1.052 1.00 5.68 H new ATOM 0 HZ1 LYS B 102 20.239 -4.531 2.521 1.00 6.27 H new ATOM 0 HZ2 LYS B 102 20.911 -3.123 3.192 1.00 6.27 H new ATOM 0 HZ3 LYS B 102 19.445 -3.734 3.793 1.00 6.27 H new ATOM 658 N TYR B 103 14.569 2.201 1.770 1.00 3.24 N ATOM 659 CA TYR B 103 13.121 2.070 1.872 1.00 2.85 C ATOM 660 C TYR B 103 12.530 1.695 0.508 1.00 2.56 C ATOM 661 O TYR B 103 11.497 1.029 0.421 1.00 2.28 O ATOM 662 CB TYR B 103 12.554 3.403 2.378 1.00 2.82 C ATOM 663 CG TYR B 103 11.045 3.518 2.381 1.00 2.56 C ATOM 664 CD1 TYR B 103 10.404 4.382 1.503 1.00 2.69 C ATOM 665 CD2 TYR B 103 10.265 2.787 3.265 1.00 2.76 C ATOM 666 CE1 TYR B 103 9.029 4.516 1.505 1.00 2.58 C ATOM 667 CE2 TYR B 103 8.889 2.912 3.271 1.00 2.65 C ATOM 668 CZ TYR B 103 8.276 3.778 2.391 1.00 2.31 C ATOM 669 OH TYR B 103 6.904 3.909 2.403 1.00 2.31 O ATOM 0 H TYR B 103 14.911 3.141 1.970 1.00 3.24 H new ATOM 0 HA TYR B 103 12.856 1.277 2.571 1.00 2.85 H new ATOM 0 HB2 TYR B 103 12.914 3.567 3.394 1.00 2.82 H new ATOM 0 HB3 TYR B 103 12.960 4.206 1.762 1.00 2.82 H new ATOM 0 HD1 TYR B 103 10.992 4.960 0.805 1.00 2.69 H new ATOM 0 HD2 TYR B 103 10.741 2.110 3.959 1.00 2.76 H new ATOM 0 HE1 TYR B 103 8.548 5.195 0.816 1.00 2.58 H new ATOM 0 HE2 TYR B 103 8.296 2.333 3.963 1.00 2.65 H new ATOM 0 HH TYR B 103 6.525 3.318 3.086 1.00 2.31 H new ATOM 679 N LEU B 104 13.218 2.119 -0.549 1.00 2.70 N ATOM 680 CA LEU B 104 12.782 1.892 -1.922 1.00 2.55 C ATOM 681 C LEU B 104 12.773 0.397 -2.284 1.00 2.53 C ATOM 682 O LEU B 104 11.743 -0.121 -2.716 1.00 2.25 O ATOM 683 CB LEU B 104 13.681 2.687 -2.878 1.00 2.85 C ATOM 684 CG LEU B 104 13.392 2.528 -4.370 1.00 2.83 C ATOM 685 CD1 LEU B 104 11.965 2.937 -4.691 1.00 2.46 C ATOM 686 CD2 LEU B 104 14.378 3.361 -5.172 1.00 3.18 C ATOM 0 H LEU B 104 14.097 2.632 -0.476 1.00 2.70 H new ATOM 0 HA LEU B 104 11.754 2.241 -2.019 1.00 2.55 H new ATOM 0 HB2 LEU B 104 13.599 3.744 -2.625 1.00 2.85 H new ATOM 0 HB3 LEU B 104 14.715 2.395 -2.697 1.00 2.85 H new ATOM 0 HG LEU B 104 13.508 1.478 -4.640 1.00 2.83 H new ATOM 0 HD11 LEU B 104 11.783 2.815 -5.759 1.00 2.46 H new ATOM 0 HD12 LEU B 104 11.272 2.309 -4.131 1.00 2.46 H new ATOM 0 HD13 LEU B 104 11.815 3.980 -4.414 1.00 2.46 H new ATOM 0 HD21 LEU B 104 14.170 3.246 -6.236 1.00 3.18 H new ATOM 0 HD22 LEU B 104 14.279 4.410 -4.894 1.00 3.18 H new ATOM 0 HD23 LEU B 104 15.393 3.025 -4.962 1.00 3.18 H new ATOM 698 N PRO B 105 13.906 -0.330 -2.128 1.00 2.88 N ATOM 699 CA PRO B 105 13.963 -1.765 -2.431 1.00 2.95 C ATOM 700 C PRO B 105 13.014 -2.580 -1.561 1.00 2.65 C ATOM 701 O PRO B 105 12.548 -3.641 -1.967 1.00 2.62 O ATOM 702 CB PRO B 105 15.420 -2.148 -2.156 1.00 3.43 C ATOM 703 CG PRO B 105 15.901 -1.094 -1.232 1.00 3.51 C ATOM 704 CD PRO B 105 15.216 0.163 -1.676 1.00 3.28 C ATOM 0 HA PRO B 105 13.653 -1.971 -3.455 1.00 2.95 H new ATOM 0 HB2 PRO B 105 15.494 -3.138 -1.705 1.00 3.43 H new ATOM 0 HB3 PRO B 105 16.006 -2.171 -3.074 1.00 3.43 H new ATOM 0 HG2 PRO B 105 15.652 -1.334 -0.198 1.00 3.51 H new ATOM 0 HG3 PRO B 105 16.985 -0.991 -1.283 1.00 3.51 H new ATOM 0 HD2 PRO B 105 15.120 0.882 -0.862 1.00 3.28 H new ATOM 0 HD3 PRO B 105 15.761 0.660 -2.478 1.00 3.28 H new ATOM 712 N GLU B 106 12.727 -2.087 -0.362 1.00 2.53 N ATOM 713 CA GLU B 106 11.751 -2.736 0.495 1.00 2.35 C ATOM 714 C GLU B 106 10.391 -2.744 -0.185 1.00 1.89 C ATOM 715 O GLU B 106 9.706 -3.766 -0.232 1.00 1.84 O ATOM 716 CB GLU B 106 11.641 -1.990 1.825 1.00 2.43 C ATOM 717 CG GLU B 106 12.915 -2.010 2.650 1.00 2.88 C ATOM 718 CD GLU B 106 13.282 -3.397 3.133 1.00 3.33 C ATOM 719 OE1 GLU B 106 13.831 -4.185 2.338 1.00 3.62 O ATOM 720 OE2 GLU B 106 13.037 -3.700 4.318 1.00 3.71 O ATOM 0 H GLU B 106 13.153 -1.249 0.033 1.00 2.53 H new ATOM 0 HA GLU B 106 12.075 -3.760 0.680 1.00 2.35 H new ATOM 0 HB2 GLU B 106 11.364 -0.954 1.627 1.00 2.43 H new ATOM 0 HB3 GLU B 106 10.834 -2.429 2.411 1.00 2.43 H new ATOM 0 HG2 GLU B 106 13.735 -1.610 2.053 1.00 2.88 H new ATOM 0 HG3 GLU B 106 12.795 -1.351 3.510 1.00 2.88 H new ATOM 727 N LEU B 107 10.029 -1.593 -0.731 1.00 1.63 N ATOM 728 CA LEU B 107 8.763 -1.443 -1.430 1.00 1.23 C ATOM 729 C LEU B 107 8.712 -2.336 -2.662 1.00 1.08 C ATOM 730 O LEU B 107 7.722 -3.014 -2.897 1.00 0.96 O ATOM 731 CB LEU B 107 8.564 0.002 -1.860 1.00 1.21 C ATOM 732 CG LEU B 107 8.407 1.006 -0.730 1.00 1.31 C ATOM 733 CD1 LEU B 107 8.423 2.416 -1.284 1.00 1.42 C ATOM 734 CD2 LEU B 107 7.115 0.755 0.025 1.00 1.19 C ATOM 0 H LEU B 107 10.597 -0.746 -0.703 1.00 1.63 H new ATOM 0 HA LEU B 107 7.969 -1.736 -0.743 1.00 1.23 H new ATOM 0 HB2 LEU B 107 9.415 0.301 -2.472 1.00 1.21 H new ATOM 0 HB3 LEU B 107 7.680 0.055 -2.495 1.00 1.21 H new ATOM 0 HG LEU B 107 9.241 0.888 -0.038 1.00 1.31 H new ATOM 0 HD11 LEU B 107 8.310 3.129 -0.467 1.00 1.42 H new ATOM 0 HD12 LEU B 107 9.369 2.596 -1.794 1.00 1.42 H new ATOM 0 HD13 LEU B 107 7.601 2.539 -1.990 1.00 1.42 H new ATOM 0 HD21 LEU B 107 7.017 1.482 0.831 1.00 1.19 H new ATOM 0 HD22 LEU B 107 6.270 0.853 -0.657 1.00 1.19 H new ATOM 0 HD23 LEU B 107 7.128 -0.251 0.444 1.00 1.19 H new ATOM 746 N MET B 108 9.793 -2.340 -3.435 1.00 1.26 N ATOM 747 CA MET B 108 9.853 -3.139 -4.658 1.00 1.26 C ATOM 748 C MET B 108 9.794 -4.632 -4.344 1.00 1.17 C ATOM 749 O MET B 108 9.174 -5.399 -5.076 1.00 1.13 O ATOM 750 CB MET B 108 11.108 -2.802 -5.485 1.00 1.64 C ATOM 751 CG MET B 108 12.421 -3.283 -4.897 1.00 1.96 C ATOM 752 SD MET B 108 13.847 -2.805 -5.893 1.00 2.39 S ATOM 753 CE MET B 108 13.668 -1.022 -5.934 1.00 2.67 C ATOM 0 H MET B 108 10.637 -1.802 -3.239 1.00 1.26 H new ATOM 0 HA MET B 108 8.979 -2.886 -5.259 1.00 1.26 H new ATOM 0 HB2 MET B 108 10.994 -3.234 -6.479 1.00 1.64 H new ATOM 0 HB3 MET B 108 11.160 -1.721 -5.611 1.00 1.64 H new ATOM 0 HG2 MET B 108 12.534 -2.879 -3.891 1.00 1.96 H new ATOM 0 HG3 MET B 108 12.396 -4.369 -4.803 1.00 1.96 H new ATOM 0 HE1 MET B 108 14.641 -0.555 -5.781 1.00 2.67 H new ATOM 0 HE2 MET B 108 13.268 -0.719 -6.901 1.00 2.67 H new ATOM 0 HE3 MET B 108 12.986 -0.707 -5.144 1.00 2.67 H new ATOM 763 N ALA B 109 10.415 -5.042 -3.242 1.00 1.27 N ATOM 764 CA ALA B 109 10.413 -6.449 -2.862 1.00 1.30 C ATOM 765 C ALA B 109 9.022 -6.896 -2.423 1.00 0.99 C ATOM 766 O ALA B 109 8.536 -7.945 -2.851 1.00 1.01 O ATOM 767 CB ALA B 109 11.438 -6.708 -1.767 1.00 1.60 C ATOM 0 H ALA B 109 10.920 -4.427 -2.604 1.00 1.27 H new ATOM 0 HA ALA B 109 10.691 -7.037 -3.737 1.00 1.30 H new ATOM 0 HB1 ALA B 109 11.422 -7.764 -1.496 1.00 1.60 H new ATOM 0 HB2 ALA B 109 12.431 -6.441 -2.128 1.00 1.60 H new ATOM 0 HB3 ALA B 109 11.196 -6.105 -0.892 1.00 1.60 H new ATOM 773 N GLU B 110 8.379 -6.092 -1.582 1.00 0.80 N ATOM 774 CA GLU B 110 7.011 -6.389 -1.157 1.00 0.62 C ATOM 775 C GLU B 110 6.075 -6.295 -2.362 1.00 0.45 C ATOM 776 O GLU B 110 5.167 -7.097 -2.535 1.00 0.54 O ATOM 777 CB GLU B 110 6.557 -5.418 -0.063 1.00 0.56 C ATOM 778 CG GLU B 110 7.318 -5.559 1.250 1.00 0.60 C ATOM 779 CD GLU B 110 6.795 -4.622 2.326 1.00 0.83 C ATOM 780 OE1 GLU B 110 5.583 -4.337 2.328 1.00 1.49 O ATOM 781 OE2 GLU B 110 7.590 -4.177 3.185 1.00 1.48 O ATOM 0 H GLU B 110 8.775 -5.240 -1.184 1.00 0.80 H new ATOM 0 HA GLU B 110 6.981 -7.399 -0.747 1.00 0.62 H new ATOM 0 HB2 GLU B 110 6.670 -4.397 -0.428 1.00 0.56 H new ATOM 0 HB3 GLU B 110 5.495 -5.572 0.127 1.00 0.56 H new ATOM 0 HG2 GLU B 110 7.244 -6.588 1.601 1.00 0.60 H new ATOM 0 HG3 GLU B 110 8.375 -5.356 1.078 1.00 0.60 H new ATOM 788 N LYS B 111 6.352 -5.299 -3.185 1.00 0.41 N ATOM 789 CA LYS B 111 5.570 -5.104 -4.407 1.00 0.46 C ATOM 790 C LYS B 111 5.614 -6.344 -5.301 1.00 0.47 C ATOM 791 O LYS B 111 4.580 -6.885 -5.684 1.00 0.52 O ATOM 792 CB LYS B 111 6.075 -3.885 -5.183 1.00 0.63 C ATOM 793 CG LYS B 111 5.733 -3.914 -6.663 1.00 0.79 C ATOM 794 CD LYS B 111 6.323 -2.720 -7.385 1.00 0.89 C ATOM 795 CE LYS B 111 6.238 -2.867 -8.896 1.00 1.15 C ATOM 796 NZ LYS B 111 6.777 -4.173 -9.364 1.00 1.89 N ATOM 0 H LYS B 111 7.099 -4.619 -3.039 1.00 0.41 H new ATOM 0 HA LYS B 111 4.535 -4.933 -4.110 1.00 0.46 H new ATOM 0 HB2 LYS B 111 5.652 -2.983 -4.740 1.00 0.63 H new ATOM 0 HB3 LYS B 111 7.157 -3.818 -5.071 1.00 0.63 H new ATOM 0 HG2 LYS B 111 6.111 -4.835 -7.108 1.00 0.79 H new ATOM 0 HG3 LYS B 111 4.650 -3.920 -6.789 1.00 0.79 H new ATOM 0 HD2 LYS B 111 5.797 -1.816 -7.079 1.00 0.89 H new ATOM 0 HD3 LYS B 111 7.365 -2.598 -7.091 1.00 0.89 H new ATOM 0 HE2 LYS B 111 5.199 -2.771 -9.211 1.00 1.15 H new ATOM 0 HE3 LYS B 111 6.791 -2.056 -9.370 1.00 1.15 H new ATOM 0 HZ1 LYS B 111 7.217 -4.052 -10.298 1.00 1.89 H new ATOM 0 HZ2 LYS B 111 7.489 -4.517 -8.688 1.00 1.89 H new ATOM 0 HZ3 LYS B 111 6.002 -4.864 -9.433 1.00 1.89 H new ATOM 810 N ASP B 112 6.808 -6.806 -5.609 1.00 0.49 N ATOM 811 CA ASP B 112 6.977 -7.900 -6.557 1.00 0.58 C ATOM 812 C ASP B 112 6.583 -9.242 -5.946 1.00 0.53 C ATOM 813 O ASP B 112 6.346 -10.212 -6.667 1.00 0.63 O ATOM 814 CB ASP B 112 8.418 -7.941 -7.063 1.00 0.72 C ATOM 815 CG ASP B 112 8.656 -6.998 -8.227 1.00 2.65 C ATOM 816 OD1 ASP B 112 8.435 -5.777 -8.078 1.00 3.03 O ATOM 817 OD2 ASP B 112 9.074 -7.480 -9.302 1.00 3.08 O ATOM 0 H ASP B 112 7.679 -6.445 -5.220 1.00 0.49 H new ATOM 0 HA ASP B 112 6.310 -7.718 -7.400 1.00 0.58 H new ATOM 0 HB2 ASP B 112 9.093 -7.682 -6.247 1.00 0.72 H new ATOM 0 HB3 ASP B 112 8.663 -8.958 -7.369 1.00 0.72 H new ATOM 822 N SER B 113 6.498 -9.294 -4.624 1.00 0.44 N ATOM 823 CA SER B 113 6.146 -10.527 -3.928 1.00 0.43 C ATOM 824 C SER B 113 4.667 -10.559 -3.546 1.00 0.35 C ATOM 825 O SER B 113 4.119 -11.617 -3.224 1.00 0.40 O ATOM 826 CB SER B 113 7.009 -10.681 -2.677 1.00 0.44 C ATOM 827 OG SER B 113 8.390 -10.708 -3.012 1.00 0.55 O ATOM 0 H SER B 113 6.668 -8.497 -4.010 1.00 0.44 H new ATOM 0 HA SER B 113 6.332 -11.358 -4.608 1.00 0.43 H new ATOM 0 HB2 SER B 113 6.813 -9.856 -1.992 1.00 0.44 H new ATOM 0 HB3 SER B 113 6.739 -11.599 -2.155 1.00 0.44 H new ATOM 0 HG SER B 113 8.739 -9.793 -3.033 1.00 0.55 H new ATOM 833 N LEU B 114 4.030 -9.403 -3.580 1.00 0.27 N ATOM 834 CA LEU B 114 2.641 -9.282 -3.161 1.00 0.23 C ATOM 835 C LEU B 114 1.713 -9.857 -4.221 1.00 0.27 C ATOM 836 O LEU B 114 1.977 -9.751 -5.422 1.00 0.30 O ATOM 837 CB LEU B 114 2.301 -7.816 -2.902 1.00 0.17 C ATOM 838 CG LEU B 114 1.100 -7.572 -1.981 1.00 0.14 C ATOM 839 CD1 LEU B 114 1.484 -7.798 -0.526 1.00 0.14 C ATOM 840 CD2 LEU B 114 0.565 -6.166 -2.168 1.00 0.16 C ATOM 0 H LEU B 114 4.452 -8.529 -3.895 1.00 0.27 H new ATOM 0 HA LEU B 114 2.503 -9.847 -2.239 1.00 0.23 H new ATOM 0 HB2 LEU B 114 3.175 -7.329 -2.468 1.00 0.17 H new ATOM 0 HB3 LEU B 114 2.108 -7.331 -3.859 1.00 0.17 H new ATOM 0 HG LEU B 114 0.317 -8.282 -2.247 1.00 0.14 H new ATOM 0 HD11 LEU B 114 0.618 -7.620 0.111 1.00 0.14 H new ATOM 0 HD12 LEU B 114 1.825 -8.825 -0.395 1.00 0.14 H new ATOM 0 HD13 LEU B 114 2.285 -7.112 -0.250 1.00 0.14 H new ATOM 0 HD21 LEU B 114 -0.287 -6.010 -1.507 1.00 0.16 H new ATOM 0 HD22 LEU B 114 1.346 -5.445 -1.929 1.00 0.16 H new ATOM 0 HD23 LEU B 114 0.251 -6.031 -3.203 1.00 0.16 H new ATOM 852 N ASP B 115 0.636 -10.479 -3.767 1.00 0.29 N ATOM 853 CA ASP B 115 -0.333 -11.096 -4.662 1.00 0.34 C ATOM 854 C ASP B 115 -1.169 -10.023 -5.356 1.00 0.33 C ATOM 855 O ASP B 115 -1.728 -9.141 -4.699 1.00 0.29 O ATOM 856 CB ASP B 115 -1.243 -12.043 -3.875 1.00 0.37 C ATOM 857 CG ASP B 115 -2.017 -12.995 -4.768 1.00 0.49 C ATOM 858 OD1 ASP B 115 -1.791 -14.218 -4.670 1.00 1.23 O ATOM 859 OD2 ASP B 115 -2.857 -12.533 -5.563 1.00 1.21 O ATOM 0 H ASP B 115 0.409 -10.571 -2.777 1.00 0.29 H new ATOM 0 HA ASP B 115 0.203 -11.667 -5.420 1.00 0.34 H new ATOM 0 HB2 ASP B 115 -0.640 -12.620 -3.174 1.00 0.37 H new ATOM 0 HB3 ASP B 115 -1.945 -11.456 -3.283 1.00 0.37 H new ATOM 864 N PRO B 116 -1.269 -10.094 -6.698 1.00 0.41 N ATOM 865 CA PRO B 116 -1.988 -9.104 -7.517 1.00 0.46 C ATOM 866 C PRO B 116 -3.477 -9.022 -7.192 1.00 0.42 C ATOM 867 O PRO B 116 -4.144 -8.060 -7.575 1.00 0.47 O ATOM 868 CB PRO B 116 -1.783 -9.602 -8.952 1.00 0.55 C ATOM 869 CG PRO B 116 -1.470 -11.045 -8.804 1.00 0.55 C ATOM 870 CD PRO B 116 -0.683 -11.154 -7.532 1.00 0.50 C ATOM 0 HA PRO B 116 -1.611 -8.097 -7.339 1.00 0.46 H new ATOM 0 HB2 PRO B 116 -2.677 -9.450 -9.556 1.00 0.55 H new ATOM 0 HB3 PRO B 116 -0.971 -9.068 -9.445 1.00 0.55 H new ATOM 0 HG2 PRO B 116 -2.381 -11.641 -8.755 1.00 0.55 H new ATOM 0 HG3 PRO B 116 -0.895 -11.411 -9.654 1.00 0.55 H new ATOM 0 HD2 PRO B 116 -0.790 -12.137 -7.072 1.00 0.50 H new ATOM 0 HD3 PRO B 116 0.382 -10.995 -7.700 1.00 0.50 H new ATOM 878 N SER B 117 -3.995 -10.034 -6.494 1.00 0.36 N ATOM 879 CA SER B 117 -5.397 -10.044 -6.089 1.00 0.37 C ATOM 880 C SER B 117 -5.706 -8.848 -5.185 1.00 0.38 C ATOM 881 O SER B 117 -6.858 -8.431 -5.060 1.00 0.56 O ATOM 882 CB SER B 117 -5.739 -11.348 -5.366 1.00 0.37 C ATOM 883 OG SER B 117 -5.360 -12.472 -6.141 1.00 1.30 O ATOM 0 H SER B 117 -3.465 -10.854 -6.199 1.00 0.36 H new ATOM 0 HA SER B 117 -6.009 -9.971 -6.988 1.00 0.37 H new ATOM 0 HB2 SER B 117 -5.231 -11.378 -4.402 1.00 0.37 H new ATOM 0 HB3 SER B 117 -6.809 -11.386 -5.163 1.00 0.37 H new ATOM 0 HG SER B 117 -4.462 -12.764 -5.877 1.00 1.30 H new ATOM 889 N PHE B 118 -4.667 -8.297 -4.568 1.00 0.28 N ATOM 890 CA PHE B 118 -4.809 -7.114 -3.737 1.00 0.32 C ATOM 891 C PHE B 118 -4.497 -5.880 -4.564 1.00 0.44 C ATOM 892 O PHE B 118 -3.367 -5.394 -4.573 1.00 0.94 O ATOM 893 CB PHE B 118 -3.876 -7.188 -2.530 1.00 0.27 C ATOM 894 CG PHE B 118 -4.061 -8.424 -1.703 1.00 0.23 C ATOM 895 CD1 PHE B 118 -4.829 -8.391 -0.555 1.00 1.22 C ATOM 896 CD2 PHE B 118 -3.462 -9.615 -2.072 1.00 1.21 C ATOM 897 CE1 PHE B 118 -4.998 -9.524 0.210 1.00 1.21 C ATOM 898 CE2 PHE B 118 -3.627 -10.752 -1.313 1.00 1.23 C ATOM 899 CZ PHE B 118 -4.397 -10.709 -0.167 1.00 0.28 C ATOM 0 H PHE B 118 -3.714 -8.655 -4.630 1.00 0.28 H new ATOM 0 HA PHE B 118 -5.834 -7.058 -3.371 1.00 0.32 H new ATOM 0 HB2 PHE B 118 -2.843 -7.144 -2.876 1.00 0.27 H new ATOM 0 HB3 PHE B 118 -4.039 -6.313 -1.901 1.00 0.27 H new ATOM 0 HD1 PHE B 118 -5.302 -7.468 -0.254 1.00 1.22 H new ATOM 0 HD2 PHE B 118 -2.858 -9.654 -2.966 1.00 1.21 H new ATOM 0 HE1 PHE B 118 -5.601 -9.486 1.105 1.00 1.21 H new ATOM 0 HE2 PHE B 118 -3.155 -11.676 -1.613 1.00 1.23 H new ATOM 0 HZ PHE B 118 -4.529 -11.598 0.432 1.00 0.28 H new ATOM 909 N THR B 119 -5.508 -5.388 -5.264 1.00 0.39 N ATOM 910 CA THR B 119 -5.343 -4.279 -6.185 1.00 0.39 C ATOM 911 C THR B 119 -4.775 -3.040 -5.498 1.00 0.41 C ATOM 912 O THR B 119 -3.756 -2.503 -5.927 1.00 0.45 O ATOM 913 CB THR B 119 -6.684 -3.914 -6.847 1.00 0.44 C ATOM 914 OG1 THR B 119 -7.218 -5.059 -7.525 1.00 0.48 O ATOM 915 CG2 THR B 119 -6.507 -2.766 -7.829 1.00 0.45 C ATOM 0 H THR B 119 -6.461 -5.746 -5.209 1.00 0.39 H new ATOM 0 HA THR B 119 -4.633 -4.609 -6.944 1.00 0.39 H new ATOM 0 HB THR B 119 -7.379 -3.597 -6.069 1.00 0.44 H new ATOM 0 HG1 THR B 119 -8.072 -4.823 -7.943 1.00 0.48 H new ATOM 0 HG21 THR B 119 -7.468 -2.525 -8.285 1.00 0.45 H new ATOM 0 HG22 THR B 119 -6.126 -1.891 -7.301 1.00 0.45 H new ATOM 0 HG23 THR B 119 -5.800 -3.057 -8.606 1.00 0.45 H new ATOM 923 N HIS B 120 -5.425 -2.596 -4.438 1.00 0.44 N ATOM 924 CA HIS B 120 -5.045 -1.357 -3.781 1.00 0.51 C ATOM 925 C HIS B 120 -3.717 -1.503 -3.053 1.00 0.47 C ATOM 926 O HIS B 120 -2.892 -0.596 -3.085 1.00 0.57 O ATOM 927 CB HIS B 120 -6.144 -0.893 -2.834 1.00 0.60 C ATOM 928 CG HIS B 120 -7.419 -0.577 -3.546 1.00 0.92 C ATOM 929 ND1 HIS B 120 -7.509 0.371 -4.546 1.00 1.09 N ATOM 930 CD2 HIS B 120 -8.651 -1.119 -3.432 1.00 1.19 C ATOM 931 CE1 HIS B 120 -8.742 0.387 -5.018 1.00 1.40 C ATOM 932 NE2 HIS B 120 -9.456 -0.506 -4.361 1.00 1.47 N ATOM 0 H HIS B 120 -6.219 -3.074 -4.013 1.00 0.44 H new ATOM 0 HA HIS B 120 -4.914 -0.594 -4.549 1.00 0.51 H new ATOM 0 HB2 HIS B 120 -6.330 -1.668 -2.091 1.00 0.60 H new ATOM 0 HB3 HIS B 120 -5.804 -0.009 -2.294 1.00 0.60 H new ATOM 0 HD1 HIS B 120 -6.745 0.964 -4.869 1.00 1.09 H new ATOM 0 HD2 HIS B 120 -8.948 -1.892 -2.738 1.00 1.19 H new ATOM 0 HE1 HIS B 120 -9.105 1.025 -5.810 1.00 1.40 H new ATOM 941 N ALA B 121 -3.513 -2.646 -2.411 1.00 0.37 N ATOM 942 CA ALA B 121 -2.246 -2.936 -1.746 1.00 0.33 C ATOM 943 C ALA B 121 -1.102 -2.890 -2.748 1.00 0.38 C ATOM 944 O ALA B 121 -0.032 -2.343 -2.478 1.00 0.47 O ATOM 945 CB ALA B 121 -2.309 -4.294 -1.065 1.00 0.27 C ATOM 0 H ALA B 121 -4.208 -3.389 -2.336 1.00 0.37 H new ATOM 0 HA ALA B 121 -2.066 -2.177 -0.985 1.00 0.33 H new ATOM 0 HB1 ALA B 121 -1.358 -4.499 -0.573 1.00 0.27 H new ATOM 0 HB2 ALA B 121 -3.108 -4.293 -0.324 1.00 0.27 H new ATOM 0 HB3 ALA B 121 -2.506 -5.066 -1.809 1.00 0.27 H new ATOM 951 N MET B 122 -1.364 -3.437 -3.919 1.00 0.35 N ATOM 952 CA MET B 122 -0.401 -3.440 -5.006 1.00 0.34 C ATOM 953 C MET B 122 -0.225 -2.039 -5.580 1.00 0.38 C ATOM 954 O MET B 122 0.886 -1.618 -5.911 1.00 0.41 O ATOM 955 CB MET B 122 -0.857 -4.410 -6.094 1.00 0.37 C ATOM 956 CG MET B 122 -0.528 -5.861 -5.801 1.00 0.38 C ATOM 957 SD MET B 122 1.095 -6.352 -6.421 1.00 0.49 S ATOM 958 CE MET B 122 2.164 -5.176 -5.597 1.00 0.63 C ATOM 0 H MET B 122 -2.249 -3.892 -4.145 1.00 0.35 H new ATOM 0 HA MET B 122 0.564 -3.766 -4.618 1.00 0.34 H new ATOM 0 HB2 MET B 122 -1.934 -4.312 -6.226 1.00 0.37 H new ATOM 0 HB3 MET B 122 -0.393 -4.126 -7.038 1.00 0.37 H new ATOM 0 HG2 MET B 122 -0.565 -6.027 -4.724 1.00 0.38 H new ATOM 0 HG3 MET B 122 -1.290 -6.499 -6.248 1.00 0.38 H new ATOM 0 HE1 MET B 122 3.200 -5.371 -5.872 1.00 0.63 H new ATOM 0 HE2 MET B 122 1.893 -4.164 -5.899 1.00 0.63 H new ATOM 0 HE3 MET B 122 2.051 -5.275 -4.517 1.00 0.63 H new ATOM 968 N GLN B 123 -1.331 -1.322 -5.669 1.00 0.44 N ATOM 969 CA GLN B 123 -1.333 0.026 -6.215 1.00 0.53 C ATOM 970 C GLN B 123 -0.612 1.008 -5.290 1.00 0.54 C ATOM 971 O GLN B 123 0.174 1.834 -5.755 1.00 0.62 O ATOM 972 CB GLN B 123 -2.775 0.455 -6.510 1.00 0.65 C ATOM 973 CG GLN B 123 -3.017 1.953 -6.534 1.00 0.83 C ATOM 974 CD GLN B 123 -4.475 2.281 -6.797 1.00 1.12 C ATOM 975 OE1 GLN B 123 -5.281 2.366 -5.869 1.00 1.60 O ATOM 976 NE2 GLN B 123 -4.823 2.461 -8.061 1.00 1.76 N ATOM 0 H GLN B 123 -2.247 -1.653 -5.368 1.00 0.44 H new ATOM 0 HA GLN B 123 -0.776 0.032 -7.152 1.00 0.53 H new ATOM 0 HB2 GLN B 123 -3.069 0.041 -7.475 1.00 0.65 H new ATOM 0 HB3 GLN B 123 -3.429 0.010 -5.760 1.00 0.65 H new ATOM 0 HG2 GLN B 123 -2.712 2.386 -5.581 1.00 0.83 H new ATOM 0 HG3 GLN B 123 -2.396 2.410 -7.305 1.00 0.83 H new ATOM 0 HE21 GLN B 123 -4.123 2.381 -8.799 1.00 1.76 H new ATOM 0 HE22 GLN B 123 -5.791 2.679 -8.297 1.00 1.76 H new ATOM 985 N LEU B 124 -0.849 0.907 -3.988 1.00 0.49 N ATOM 986 CA LEU B 124 -0.217 1.816 -3.038 1.00 0.50 C ATOM 987 C LEU B 124 1.293 1.578 -2.981 1.00 0.45 C ATOM 988 O LEU B 124 2.074 2.522 -2.851 1.00 0.52 O ATOM 989 CB LEU B 124 -0.864 1.696 -1.658 1.00 0.50 C ATOM 990 CG LEU B 124 -2.350 2.063 -1.619 1.00 0.56 C ATOM 991 CD1 LEU B 124 -2.985 1.591 -0.322 1.00 0.49 C ATOM 992 CD2 LEU B 124 -2.533 3.563 -1.784 1.00 0.83 C ATOM 0 H LEU B 124 -1.467 0.213 -3.568 1.00 0.49 H new ATOM 0 HA LEU B 124 -0.373 2.838 -3.382 1.00 0.50 H new ATOM 0 HB2 LEU B 124 -0.746 0.672 -1.303 1.00 0.50 H new ATOM 0 HB3 LEU B 124 -0.326 2.339 -0.961 1.00 0.50 H new ATOM 0 HG LEU B 124 -2.848 1.560 -2.448 1.00 0.56 H new ATOM 0 HD11 LEU B 124 -4.041 1.862 -0.314 1.00 0.49 H new ATOM 0 HD12 LEU B 124 -2.887 0.508 -0.242 1.00 0.49 H new ATOM 0 HD13 LEU B 124 -2.483 2.064 0.522 1.00 0.49 H new ATOM 0 HD21 LEU B 124 -3.595 3.805 -1.754 1.00 0.83 H new ATOM 0 HD22 LEU B 124 -2.019 4.083 -0.976 1.00 0.83 H new ATOM 0 HD23 LEU B 124 -2.116 3.877 -2.741 1.00 0.83 H new ATOM 1004 N LEU B 125 1.693 0.313 -3.103 1.00 0.37 N ATOM 1005 CA LEU B 125 3.110 -0.044 -3.162 1.00 0.35 C ATOM 1006 C LEU B 125 3.736 0.565 -4.404 1.00 0.46 C ATOM 1007 O LEU B 125 4.866 1.049 -4.374 1.00 0.52 O ATOM 1008 CB LEU B 125 3.291 -1.565 -3.207 1.00 0.28 C ATOM 1009 CG LEU B 125 3.240 -2.291 -1.868 1.00 0.25 C ATOM 1010 CD1 LEU B 125 3.164 -3.787 -2.105 1.00 0.21 C ATOM 1011 CD2 LEU B 125 4.468 -1.953 -1.037 1.00 0.33 C ATOM 0 H LEU B 125 1.056 -0.482 -3.163 1.00 0.37 H new ATOM 0 HA LEU B 125 3.597 0.342 -2.266 1.00 0.35 H new ATOM 0 HB2 LEU B 125 2.518 -1.983 -3.852 1.00 0.28 H new ATOM 0 HB3 LEU B 125 4.250 -1.782 -3.677 1.00 0.28 H new ATOM 0 HG LEU B 125 2.354 -1.969 -1.321 1.00 0.25 H new ATOM 0 HD11 LEU B 125 3.128 -4.306 -1.147 1.00 0.21 H new ATOM 0 HD12 LEU B 125 2.266 -4.019 -2.678 1.00 0.21 H new ATOM 0 HD13 LEU B 125 4.043 -4.112 -2.661 1.00 0.21 H new ATOM 0 HD21 LEU B 125 4.418 -2.479 -0.083 1.00 0.33 H new ATOM 0 HD22 LEU B 125 5.366 -2.259 -1.574 1.00 0.33 H new ATOM 0 HD23 LEU B 125 4.501 -0.878 -0.858 1.00 0.33 H new ATOM 1023 N THR B 126 2.977 0.556 -5.485 1.00 0.55 N ATOM 1024 CA THR B 126 3.473 1.058 -6.750 1.00 0.74 C ATOM 1025 C THR B 126 3.694 2.566 -6.670 1.00 0.92 C ATOM 1026 O THR B 126 4.750 3.077 -7.048 1.00 1.07 O ATOM 1027 CB THR B 126 2.490 0.735 -7.889 1.00 0.81 C ATOM 1028 OG1 THR B 126 2.349 -0.689 -8.023 1.00 0.86 O ATOM 1029 CG2 THR B 126 2.956 1.338 -9.206 1.00 0.91 C ATOM 0 H THR B 126 2.019 0.208 -5.511 1.00 0.55 H new ATOM 0 HA THR B 126 4.423 0.568 -6.961 1.00 0.74 H new ATOM 0 HB THR B 126 1.524 1.174 -7.640 1.00 0.81 H new ATOM 0 HG1 THR B 126 1.911 -1.051 -7.225 1.00 0.86 H new ATOM 0 HG21 THR B 126 2.241 1.093 -9.992 1.00 0.91 H new ATOM 0 HG22 THR B 126 3.027 2.421 -9.105 1.00 0.91 H new ATOM 0 HG23 THR B 126 3.934 0.933 -9.466 1.00 0.91 H new ATOM 1037 N ALA B 127 2.697 3.259 -6.133 1.00 0.96 N ATOM 1038 CA ALA B 127 2.718 4.714 -6.053 1.00 1.09 C ATOM 1039 C ALA B 127 3.866 5.228 -5.188 1.00 1.18 C ATOM 1040 O ALA B 127 4.551 6.180 -5.561 1.00 1.38 O ATOM 1041 CB ALA B 127 1.389 5.213 -5.515 1.00 1.18 C ATOM 0 H ALA B 127 1.857 2.832 -5.743 1.00 0.96 H new ATOM 0 HA ALA B 127 2.878 5.101 -7.059 1.00 1.09 H new ATOM 0 HB1 ALA B 127 1.406 6.301 -5.456 1.00 1.18 H new ATOM 0 HB2 ALA B 127 0.586 4.898 -6.181 1.00 1.18 H new ATOM 0 HB3 ALA B 127 1.220 4.798 -4.521 1.00 1.18 H new ATOM 1047 N GLU B 128 4.067 4.608 -4.025 1.00 1.12 N ATOM 1048 CA GLU B 128 5.121 5.040 -3.107 1.00 1.31 C ATOM 1049 C GLU B 128 6.492 4.903 -3.755 1.00 1.38 C ATOM 1050 O GLU B 128 7.372 5.741 -3.561 1.00 1.62 O ATOM 1051 CB GLU B 128 5.088 4.236 -1.815 1.00 1.35 C ATOM 1052 CG GLU B 128 5.898 4.876 -0.701 1.00 1.46 C ATOM 1053 CD GLU B 128 5.269 6.163 -0.199 1.00 1.46 C ATOM 1054 OE1 GLU B 128 4.031 6.301 -0.280 1.00 2.01 O ATOM 1055 OE2 GLU B 128 6.010 7.046 0.281 1.00 1.95 O ATOM 0 H GLU B 128 3.519 3.812 -3.698 1.00 1.12 H new ATOM 0 HA GLU B 128 4.939 6.089 -2.872 1.00 1.31 H new ATOM 0 HB2 GLU B 128 4.054 4.125 -1.488 1.00 1.35 H new ATOM 0 HB3 GLU B 128 5.471 3.234 -2.007 1.00 1.35 H new ATOM 0 HG2 GLU B 128 5.992 4.173 0.127 1.00 1.46 H new ATOM 0 HG3 GLU B 128 6.906 5.083 -1.060 1.00 1.46 H new ATOM 1062 N ILE B 129 6.653 3.848 -4.536 1.00 1.24 N ATOM 1063 CA ILE B 129 7.891 3.629 -5.261 1.00 1.42 C ATOM 1064 C ILE B 129 8.120 4.752 -6.263 1.00 1.64 C ATOM 1065 O ILE B 129 9.233 5.262 -6.394 1.00 1.92 O ATOM 1066 CB ILE B 129 7.896 2.261 -5.972 1.00 1.32 C ATOM 1067 CG1 ILE B 129 7.856 1.150 -4.926 1.00 1.14 C ATOM 1068 CG2 ILE B 129 9.123 2.110 -6.866 1.00 1.59 C ATOM 1069 CD1 ILE B 129 7.686 -0.231 -5.504 1.00 1.01 C ATOM 0 H ILE B 129 5.942 3.131 -4.683 1.00 1.24 H new ATOM 0 HA ILE B 129 8.707 3.628 -4.538 1.00 1.42 H new ATOM 0 HB ILE B 129 7.015 2.192 -6.610 1.00 1.32 H new ATOM 0 HG12 ILE B 129 8.778 1.179 -4.345 1.00 1.14 H new ATOM 0 HG13 ILE B 129 7.037 1.346 -4.234 1.00 1.14 H new ATOM 0 HG21 ILE B 129 9.100 1.136 -7.354 1.00 1.59 H new ATOM 0 HG22 ILE B 129 9.121 2.895 -7.622 1.00 1.59 H new ATOM 0 HG23 ILE B 129 10.026 2.191 -6.261 1.00 1.59 H new ATOM 0 HD11 ILE B 129 7.667 -0.963 -4.697 1.00 1.01 H new ATOM 0 HD12 ILE B 129 6.750 -0.280 -6.060 1.00 1.01 H new ATOM 0 HD13 ILE B 129 8.518 -0.450 -6.173 1.00 1.01 H new ATOM 1081 N GLU B 130 7.050 5.158 -6.934 1.00 1.55 N ATOM 1082 CA GLU B 130 7.103 6.259 -7.885 1.00 1.76 C ATOM 1083 C GLU B 130 7.591 7.539 -7.209 1.00 1.94 C ATOM 1084 O GLU B 130 8.377 8.294 -7.781 1.00 2.19 O ATOM 1085 CB GLU B 130 5.721 6.487 -8.499 1.00 1.67 C ATOM 1086 CG GLU B 130 5.225 5.309 -9.321 1.00 1.60 C ATOM 1087 CD GLU B 130 3.911 5.596 -10.012 1.00 1.81 C ATOM 1088 OE1 GLU B 130 2.848 5.284 -9.438 1.00 2.25 O ATOM 1089 OE2 GLU B 130 3.931 6.145 -11.136 1.00 2.16 O ATOM 0 H GLU B 130 6.127 4.736 -6.835 1.00 1.55 H new ATOM 0 HA GLU B 130 7.808 5.997 -8.674 1.00 1.76 H new ATOM 0 HB2 GLU B 130 5.006 6.691 -7.702 1.00 1.67 H new ATOM 0 HB3 GLU B 130 5.754 7.374 -9.132 1.00 1.67 H new ATOM 0 HG2 GLU B 130 5.975 5.050 -10.068 1.00 1.60 H new ATOM 0 HG3 GLU B 130 5.108 4.441 -8.672 1.00 1.60 H new ATOM 1096 N LYS B 131 7.129 7.762 -5.978 1.00 1.85 N ATOM 1097 CA LYS B 131 7.513 8.940 -5.201 1.00 2.07 C ATOM 1098 C LYS B 131 9.018 8.967 -4.957 1.00 2.28 C ATOM 1099 O LYS B 131 9.657 10.009 -5.054 1.00 2.53 O ATOM 1100 CB LYS B 131 6.792 8.951 -3.850 1.00 2.03 C ATOM 1101 CG LYS B 131 5.279 8.869 -3.950 1.00 2.33 C ATOM 1102 CD LYS B 131 4.651 8.746 -2.573 1.00 2.59 C ATOM 1103 CE LYS B 131 3.156 8.501 -2.654 1.00 3.17 C ATOM 1104 NZ LYS B 131 2.562 8.277 -1.311 1.00 3.73 N ATOM 0 H LYS B 131 6.484 7.137 -5.495 1.00 1.85 H new ATOM 0 HA LYS B 131 7.227 9.820 -5.777 1.00 2.07 H new ATOM 0 HB2 LYS B 131 7.151 8.113 -3.253 1.00 2.03 H new ATOM 0 HB3 LYS B 131 7.061 9.862 -3.315 1.00 2.03 H new ATOM 0 HG2 LYS B 131 4.895 9.757 -4.451 1.00 2.33 H new ATOM 0 HG3 LYS B 131 4.997 8.011 -4.561 1.00 2.33 H new ATOM 0 HD2 LYS B 131 5.124 7.928 -2.030 1.00 2.59 H new ATOM 0 HD3 LYS B 131 4.840 9.657 -2.005 1.00 2.59 H new ATOM 0 HE2 LYS B 131 2.672 9.355 -3.128 1.00 3.17 H new ATOM 0 HE3 LYS B 131 2.963 7.634 -3.286 1.00 3.17 H new ATOM 0 HZ1 LYS B 131 1.700 7.702 -1.404 1.00 3.73 H new ATOM 0 HZ2 LYS B 131 3.247 7.779 -0.707 1.00 3.73 H new ATOM 0 HZ3 LYS B 131 2.323 9.193 -0.880 1.00 3.73 H new ATOM 1118 N ILE B 132 9.577 7.820 -4.609 1.00 2.21 N ATOM 1119 CA ILE B 132 11.008 7.722 -4.384 1.00 2.47 C ATOM 1120 C ILE B 132 11.771 7.803 -5.707 1.00 2.68 C ATOM 1121 O ILE B 132 12.764 8.520 -5.818 1.00 2.98 O ATOM 1122 CB ILE B 132 11.368 6.407 -3.677 1.00 2.40 C ATOM 1123 CG1 ILE B 132 10.380 6.127 -2.542 1.00 2.18 C ATOM 1124 CG2 ILE B 132 12.795 6.468 -3.147 1.00 2.72 C ATOM 1125 CD1 ILE B 132 10.687 4.869 -1.766 1.00 2.19 C ATOM 0 H ILE B 132 9.064 6.948 -4.477 1.00 2.21 H new ATOM 0 HA ILE B 132 11.295 8.559 -3.747 1.00 2.47 H new ATOM 0 HB ILE B 132 11.303 5.591 -4.397 1.00 2.40 H new ATOM 0 HG12 ILE B 132 10.378 6.975 -1.857 1.00 2.18 H new ATOM 0 HG13 ILE B 132 9.375 6.051 -2.958 1.00 2.18 H new ATOM 0 HG21 ILE B 132 13.038 5.530 -2.648 1.00 2.72 H new ATOM 0 HG22 ILE B 132 13.485 6.627 -3.976 1.00 2.72 H new ATOM 0 HG23 ILE B 132 12.885 7.290 -2.437 1.00 2.72 H new ATOM 0 HD11 ILE B 132 9.945 4.737 -0.979 1.00 2.19 H new ATOM 0 HD12 ILE B 132 10.660 4.011 -2.438 1.00 2.19 H new ATOM 0 HD13 ILE B 132 11.678 4.949 -1.320 1.00 2.19 H new ATOM 1137 N GLN B 133 11.280 7.079 -6.709 1.00 2.56 N ATOM 1138 CA GLN B 133 11.943 7.001 -8.013 1.00 2.81 C ATOM 1139 C GLN B 133 12.031 8.361 -8.699 1.00 2.97 C ATOM 1140 O GLN B 133 13.016 8.653 -9.378 1.00 3.27 O ATOM 1141 CB GLN B 133 11.218 6.014 -8.931 1.00 2.72 C ATOM 1142 CG GLN B 133 11.346 4.560 -8.501 1.00 2.73 C ATOM 1143 CD GLN B 133 12.757 4.014 -8.637 1.00 2.94 C ATOM 1144 OE1 GLN B 133 13.743 4.745 -8.517 1.00 3.49 O ATOM 1145 NE2 GLN B 133 12.863 2.724 -8.905 1.00 2.90 N ATOM 0 H GLN B 133 10.420 6.534 -6.645 1.00 2.56 H new ATOM 0 HA GLN B 133 12.958 6.651 -7.827 1.00 2.81 H new ATOM 0 HB2 GLN B 133 10.161 6.279 -8.970 1.00 2.72 H new ATOM 0 HB3 GLN B 133 11.610 6.119 -9.942 1.00 2.72 H new ATOM 0 HG2 GLN B 133 11.026 4.466 -7.463 1.00 2.73 H new ATOM 0 HG3 GLN B 133 10.669 3.951 -9.100 1.00 2.73 H new ATOM 0 HE21 GLN B 133 12.024 2.152 -8.997 1.00 2.90 H new ATOM 0 HE22 GLN B 133 13.784 2.301 -9.020 1.00 2.90 H new ATOM 1154 N LYS B 134 11.002 9.182 -8.533 1.00 2.82 N ATOM 1155 CA LYS B 134 10.974 10.501 -9.169 1.00 3.02 C ATOM 1156 C LYS B 134 12.040 11.416 -8.579 1.00 3.29 C ATOM 1157 O LYS B 134 12.585 12.273 -9.271 1.00 3.54 O ATOM 1158 CB LYS B 134 9.602 11.168 -9.015 1.00 2.88 C ATOM 1159 CG LYS B 134 9.194 11.380 -7.569 1.00 2.84 C ATOM 1160 CD LYS B 134 8.002 12.308 -7.436 1.00 2.90 C ATOM 1161 CE LYS B 134 8.404 13.768 -7.573 1.00 3.30 C ATOM 1162 NZ LYS B 134 9.314 14.204 -6.476 1.00 3.82 N ATOM 0 H LYS B 134 10.180 8.964 -7.969 1.00 2.82 H new ATOM 0 HA LYS B 134 11.176 10.346 -10.229 1.00 3.02 H new ATOM 0 HB2 LYS B 134 9.615 12.131 -9.526 1.00 2.88 H new ATOM 0 HB3 LYS B 134 8.850 10.554 -9.511 1.00 2.88 H new ATOM 0 HG2 LYS B 134 8.954 10.418 -7.117 1.00 2.84 H new ATOM 0 HG3 LYS B 134 10.036 11.792 -7.013 1.00 2.84 H new ATOM 0 HD2 LYS B 134 7.263 12.062 -8.198 1.00 2.90 H new ATOM 0 HD3 LYS B 134 7.526 12.152 -6.468 1.00 2.90 H new ATOM 0 HE2 LYS B 134 8.896 13.919 -8.534 1.00 3.30 H new ATOM 0 HE3 LYS B 134 7.510 14.392 -7.571 1.00 3.30 H new ATOM 0 HZ1 LYS B 134 9.219 15.230 -6.333 1.00 3.82 H new ATOM 0 HZ2 LYS B 134 9.062 13.707 -5.598 1.00 3.82 H new ATOM 0 HZ3 LYS B 134 10.297 13.979 -6.731 1.00 3.82 H new ATOM 1176 N GLY B 135 12.340 11.223 -7.305 1.00 3.29 N ATOM 1177 CA GLY B 135 13.250 12.112 -6.627 1.00 3.59 C ATOM 1178 C GLY B 135 12.510 13.087 -5.744 1.00 4.02 C ATOM 1179 O GLY B 135 12.023 14.112 -6.263 1.00 4.46 O ATOM 1180 OXT GLY B 135 12.400 12.828 -4.528 1.00 4.40 O ATOM 0 H GLY B 135 11.968 10.466 -6.731 1.00 3.29 H new ATOM 0 HA2 GLY B 135 13.948 11.531 -6.025 1.00 3.59 H new ATOM 0 HA3 GLY B 135 13.841 12.660 -7.361 1.00 3.59 H new TER 1184 GLY B 135