USER MOD reduce.3.24.130724 H: found=0, std=0, add=1096, rem=0, adj=22 USER MOD reduce.3.24.130724 removed 1096 hydrogens (0 hets) USER MOD ----------------------------------------------------------------- USER MOD scores for adjustable sidechains, with "set" totals for H,N and Q USER MOD "o" means original, "f" means flipped, "180deg" is methyl default USER MOD "!" flags a clash with an overlap of 0.40A or greater USER MOD flip categories: "K"=keep, "C"=clashes, "X"=uncertain, "F"=flip USER MOD Set 1.1: A 100 THR OG1 : rot 149:sc= 0.291 USER MOD Set 1.2: A 118 TYR OH : rot 180:sc= 0.27 USER MOD Set 2.1: A 28 TYR OH : rot 150:sc= -3.98! USER MOD Set 2.2: A 122 LYS NZ :NH3+ -114:sc= -4.34! (180deg=-5.44!) USER MOD Set 2.3: A 123 SER OG : rot 143:sc= -0.474 USER MOD Set 3.1: A 20 ASN : amide:sc= 1.22 K(o=-4.3,f=-0.47) USER MOD Set 3.2: A 24 ASN : amide:sc= -5.39! K(o=-4.3!,f=1.4) USER MOD Set 3.3: A 30 THR OG1 : rot 96:sc= -0.109 USER MOD Set 4.1: A 12 GLN : amide:sc= 0.129 K(o=0.92,f=-6.8!) USER MOD Set 4.2: A 104 LYS NZ :NH3+ -169:sc= 0.789 (180deg=-1.19) USER MOD Set 5.1: A 3 ASN : amide:sc= -1.91! K(o=-2.3!,f=-1.4) USER MOD Set 5.2: A 5 LYS NZ :NH3+ -120:sc= -0.0638 (180deg=-0.36) USER MOD Set 5.3: A 29 GLN : amide:sc= -0.354 K(o=-2.3,f=-1.4) USER MOD Single : A 1 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 1 MET N :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 2 MET CE :methyl 162:sc= -0.161 (180deg=-0.703) USER MOD Single : A 13 TYR OH : rot 180:sc= 0 USER MOD Single : A 25 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 32 GLN : amide:sc= -2.01! C(o=-2!,f=-9.1!) USER MOD Single : A 35 ASN : amide:sc= -2.11! K(o=-2.1!,f=-0.5) USER MOD Single : A 38 GLN : amide:sc= 0.534 K(o=0.53,f=-3.6!) USER MOD Single : A 44 THR OG1 : rot -25:sc= 0.0904 USER MOD Single : A 45 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 55 MET CE :methyl 154:sc= -0.426 (180deg=-1.45!) USER MOD Single : A 56 LYS NZ :NH3+ -171:sc= 1.24 (180deg=1.06) USER MOD Single : A 60 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 67 LYS NZ :NH3+ -105:sc= 1.03 (180deg=-0.725) USER MOD Single : A 69 MET CE :methyl -101:sc= -9.95! (180deg=-13.6!) USER MOD Single : A 70 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 75 ASN : amide:sc= -0.483 X(o=-0.48,f=-0.51) USER MOD Single : A 81 MET CE :methyl -177:sc= -0.421 (180deg=-0.461) USER MOD Single : A 82 THR OG1 : rot -150:sc= 0 USER MOD Single : A 84 TYR OH : rot 180:sc= 0 USER MOD Single : A 89 MET CE :methyl -160:sc= -0.178 (180deg=-0.686) USER MOD Single : A 91 GLN : amide:sc= -7.21! K(o=-7.2!,f=-1.7) USER MOD Single : A 93 SER OG : rot 70:sc= -0.309 USER MOD Single : A 94 LYS NZ :NH3+ -169:sc= 0 (180deg=-0.081) USER MOD Single : A 101 HIS : no HD1:sc= 0 X(o=0,f=-0.09) USER MOD Single : A 116 LYS NZ :NH3+ 141:sc= 0.24 (180deg=0) USER MOD Single : A 117 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 124 ASN : amide:sc= -0.513 K(o=-0.51,f=-2.9!) USER MOD Single : A 127 HIS : no HD1:sc= -0.844 K(o=-0.84,f=-0.29) USER MOD Single : A 128 HIS : no HD1:sc=-0.00735 X(o=-0.0074,f=-0.014) USER MOD Single : A 129 HIS : no HD1:sc= -0.11 X(o=-0.11,f=-0.047) USER MOD Single : A 130 HIS : no HD1:sc= -0.083 X(o=-0.083,f=0) USER MOD Single : A 131 HIS : no HD1:sc= 0 X(o=0,f=0) USER MOD Single : A 132 HIS : no HD1:sc= -0.158 X(o=-0.16,f=-0.013) USER MOD ----------------------------------------------------------------- ATOM 1 N MET A 1 5.773 -19.844 2.022 1.00 4.49 N ATOM 2 CA MET A 1 5.945 -19.230 0.688 1.00 3.82 C ATOM 3 C MET A 1 5.885 -17.713 0.791 1.00 2.74 C ATOM 4 O MET A 1 4.857 -17.148 1.154 1.00 3.15 O ATOM 5 CB MET A 1 4.863 -19.730 -0.272 1.00 4.63 C ATOM 6 CG MET A 1 4.987 -19.169 -1.680 1.00 5.06 C ATOM 7 SD MET A 1 3.655 -19.715 -2.767 1.00 6.16 S ATOM 8 CE MET A 1 4.124 -18.926 -4.306 1.00 6.68 C ATOM 0 H1 MET A 1 5.816 -20.880 1.936 1.00 4.49 H new ATOM 0 H2 MET A 1 6.531 -19.517 2.655 1.00 4.49 H new ATOM 0 H3 MET A 1 4.851 -19.568 2.415 1.00 4.49 H new ATOM 0 HA MET A 1 6.922 -19.519 0.300 1.00 3.82 H new ATOM 0 HB2 MET A 1 4.906 -20.818 -0.319 1.00 4.63 H new ATOM 0 HB3 MET A 1 3.884 -19.467 0.129 1.00 4.63 H new ATOM 0 HG2 MET A 1 4.989 -18.080 -1.634 1.00 5.06 H new ATOM 0 HG3 MET A 1 5.944 -19.472 -2.104 1.00 5.06 H new ATOM 0 HE1 MET A 1 3.394 -19.171 -5.078 1.00 6.68 H new ATOM 0 HE2 MET A 1 4.156 -17.845 -4.166 1.00 6.68 H new ATOM 0 HE3 MET A 1 5.108 -19.281 -4.612 1.00 6.68 H new ATOM 20 N MET A 2 6.987 -17.056 0.473 1.00 1.94 N ATOM 21 CA MET A 2 7.047 -15.607 0.534 1.00 1.61 C ATOM 22 C MET A 2 6.647 -14.993 -0.801 1.00 1.52 C ATOM 23 O MET A 2 7.170 -15.361 -1.854 1.00 2.24 O ATOM 24 CB MET A 2 8.445 -15.136 0.943 1.00 2.17 C ATOM 25 CG MET A 2 8.749 -15.357 2.419 1.00 2.96 C ATOM 26 SD MET A 2 10.393 -14.783 2.901 1.00 4.18 S ATOM 27 CE MET A 2 10.301 -13.048 2.464 1.00 4.62 C ATOM 0 H MET A 2 7.852 -17.503 0.170 1.00 1.94 H new ATOM 0 HA MET A 2 6.338 -15.273 1.292 1.00 1.61 H new ATOM 0 HB2 MET A 2 9.188 -15.663 0.344 1.00 2.17 H new ATOM 0 HB3 MET A 2 8.545 -14.075 0.714 1.00 2.17 H new ATOM 0 HG2 MET A 2 8.000 -14.840 3.019 1.00 2.96 H new ATOM 0 HG3 MET A 2 8.661 -16.419 2.646 1.00 2.96 H new ATOM 0 HE1 MET A 2 11.090 -12.501 2.979 1.00 4.62 H new ATOM 0 HE2 MET A 2 10.426 -12.937 1.387 1.00 4.62 H new ATOM 0 HE3 MET A 2 9.331 -12.649 2.760 1.00 4.62 H new ATOM 37 N ASN A 3 5.714 -14.061 -0.742 1.00 1.01 N ATOM 38 CA ASN A 3 5.204 -13.383 -1.920 1.00 0.84 C ATOM 39 C ASN A 3 4.950 -11.940 -1.569 1.00 0.67 C ATOM 40 O ASN A 3 3.846 -11.568 -1.161 1.00 0.64 O ATOM 41 CB ASN A 3 3.905 -14.019 -2.406 1.00 0.80 C ATOM 42 CG ASN A 3 3.450 -13.434 -3.727 1.00 0.83 C ATOM 43 OD1 ASN A 3 3.757 -13.958 -4.795 1.00 0.99 O ATOM 44 ND2 ASN A 3 2.738 -12.321 -3.665 1.00 0.83 N ATOM 0 H ASN A 3 5.286 -13.751 0.130 1.00 1.01 H new ATOM 0 HA ASN A 3 5.940 -13.464 -2.719 1.00 0.84 H new ATOM 0 HB2 ASN A 3 4.046 -15.094 -2.514 1.00 0.80 H new ATOM 0 HB3 ASN A 3 3.127 -13.873 -1.657 1.00 0.80 H new ATOM 0 HD21 ASN A 3 2.424 -11.868 -4.523 1.00 0.83 H new ATOM 0 HD22 ASN A 3 2.503 -11.916 -2.759 1.00 0.83 H new ATOM 51 N GLU A 4 5.980 -11.135 -1.696 1.00 0.63 N ATOM 52 CA GLU A 4 5.888 -9.744 -1.334 1.00 0.52 C ATOM 53 C GLU A 4 5.096 -8.982 -2.385 1.00 0.40 C ATOM 54 O GLU A 4 5.649 -8.464 -3.355 1.00 0.47 O ATOM 55 CB GLU A 4 7.275 -9.131 -1.153 1.00 0.62 C ATOM 56 CG GLU A 4 8.120 -9.780 -0.059 1.00 1.08 C ATOM 57 CD GLU A 4 8.679 -11.131 -0.456 1.00 1.31 C ATOM 58 OE1 GLU A 4 9.671 -11.167 -1.208 1.00 1.90 O ATOM 59 OE2 GLU A 4 8.135 -12.165 -0.011 1.00 1.51 O ATOM 0 H GLU A 4 6.893 -11.423 -2.049 1.00 0.63 H new ATOM 0 HA GLU A 4 5.366 -9.671 -0.380 1.00 0.52 H new ATOM 0 HB2 GLU A 4 7.814 -9.199 -2.098 1.00 0.62 H new ATOM 0 HB3 GLU A 4 7.162 -8.071 -0.926 1.00 0.62 H new ATOM 0 HG2 GLU A 4 8.944 -9.114 0.197 1.00 1.08 H new ATOM 0 HG3 GLU A 4 7.513 -9.895 0.839 1.00 1.08 H new ATOM 66 N LYS A 5 3.788 -8.967 -2.204 1.00 0.31 N ATOM 67 CA LYS A 5 2.890 -8.306 -3.132 1.00 0.26 C ATOM 68 C LYS A 5 2.363 -7.020 -2.526 1.00 0.21 C ATOM 69 O LYS A 5 2.134 -6.948 -1.323 1.00 0.21 O ATOM 70 CB LYS A 5 1.716 -9.195 -3.462 1.00 0.29 C ATOM 71 CG LYS A 5 1.172 -8.988 -4.868 1.00 0.34 C ATOM 72 CD LYS A 5 -0.345 -9.097 -4.909 1.00 0.39 C ATOM 73 CE LYS A 5 -0.824 -10.440 -4.383 1.00 0.39 C ATOM 74 NZ LYS A 5 -0.208 -11.581 -5.112 1.00 0.56 N ATOM 0 H LYS A 5 3.320 -9.411 -1.413 1.00 0.31 H new ATOM 0 HA LYS A 5 3.451 -8.088 -4.041 1.00 0.26 H new ATOM 0 HB2 LYS A 5 2.016 -10.237 -3.347 1.00 0.29 H new ATOM 0 HB3 LYS A 5 0.918 -9.012 -2.742 1.00 0.29 H new ATOM 0 HG2 LYS A 5 1.476 -8.008 -5.235 1.00 0.34 H new ATOM 0 HG3 LYS A 5 1.608 -9.728 -5.539 1.00 0.34 H new ATOM 0 HD2 LYS A 5 -0.784 -8.295 -4.315 1.00 0.39 H new ATOM 0 HD3 LYS A 5 -0.692 -8.962 -5.933 1.00 0.39 H new ATOM 0 HE2 LYS A 5 -0.587 -10.518 -3.322 1.00 0.39 H new ATOM 0 HE3 LYS A 5 -1.909 -10.497 -4.472 1.00 0.39 H new ATOM 0 HZ1 LYS A 5 -0.954 -12.151 -5.558 1.00 0.56 H new ATOM 0 HZ2 LYS A 5 0.435 -11.218 -5.844 1.00 0.56 H new ATOM 0 HZ3 LYS A 5 0.327 -12.172 -4.444 1.00 0.56 H new ATOM 88 N ILE A 6 2.157 -6.031 -3.371 1.00 0.21 N ATOM 89 CA ILE A 6 1.630 -4.750 -2.952 1.00 0.20 C ATOM 90 C ILE A 6 0.358 -4.422 -3.724 1.00 0.23 C ATOM 91 O ILE A 6 0.374 -4.310 -4.949 1.00 0.40 O ATOM 92 CB ILE A 6 2.677 -3.636 -3.148 1.00 0.20 C ATOM 93 CG1 ILE A 6 3.826 -3.816 -2.150 1.00 0.22 C ATOM 94 CG2 ILE A 6 2.037 -2.263 -3.018 1.00 0.21 C ATOM 95 CD1 ILE A 6 4.886 -2.741 -2.230 1.00 0.27 C ATOM 0 H ILE A 6 2.351 -6.094 -4.370 1.00 0.21 H new ATOM 0 HA ILE A 6 1.390 -4.811 -1.890 1.00 0.20 H new ATOM 0 HB ILE A 6 3.086 -3.709 -4.156 1.00 0.20 H new ATOM 0 HG12 ILE A 6 3.417 -3.833 -1.140 1.00 0.22 H new ATOM 0 HG13 ILE A 6 4.293 -4.786 -2.321 1.00 0.22 H new ATOM 0 HG21 ILE A 6 2.795 -1.493 -3.160 1.00 0.21 H new ATOM 0 HG22 ILE A 6 1.260 -2.151 -3.774 1.00 0.21 H new ATOM 0 HG23 ILE A 6 1.596 -2.159 -2.026 1.00 0.21 H new ATOM 0 HD11 ILE A 6 5.663 -2.941 -1.492 1.00 0.27 H new ATOM 0 HD12 ILE A 6 5.325 -2.737 -3.228 1.00 0.27 H new ATOM 0 HD13 ILE A 6 4.435 -1.769 -2.028 1.00 0.27 H new ATOM 107 N LEU A 7 -0.744 -4.292 -3.005 1.00 0.11 N ATOM 108 CA LEU A 7 -2.036 -4.029 -3.624 1.00 0.11 C ATOM 109 C LEU A 7 -2.331 -2.542 -3.657 1.00 0.14 C ATOM 110 O LEU A 7 -2.462 -1.911 -2.629 1.00 0.29 O ATOM 111 CB LEU A 7 -3.135 -4.767 -2.872 1.00 0.11 C ATOM 112 CG LEU A 7 -3.596 -6.054 -3.546 1.00 0.14 C ATOM 113 CD1 LEU A 7 -4.662 -6.732 -2.715 1.00 0.15 C ATOM 114 CD2 LEU A 7 -4.128 -5.753 -4.936 1.00 0.17 C ATOM 0 H LEU A 7 -0.772 -4.364 -1.988 1.00 0.11 H new ATOM 0 HA LEU A 7 -2.002 -4.390 -4.652 1.00 0.11 H new ATOM 0 HB2 LEU A 7 -2.779 -5.003 -1.869 1.00 0.11 H new ATOM 0 HB3 LEU A 7 -3.991 -4.102 -2.758 1.00 0.11 H new ATOM 0 HG LEU A 7 -2.743 -6.727 -3.632 1.00 0.14 H new ATOM 0 HD11 LEU A 7 -4.981 -7.649 -3.210 1.00 0.15 H new ATOM 0 HD12 LEU A 7 -4.259 -6.972 -1.731 1.00 0.15 H new ATOM 0 HD13 LEU A 7 -5.516 -6.064 -2.604 1.00 0.15 H new ATOM 0 HD21 LEU A 7 -4.455 -6.679 -5.409 1.00 0.17 H new ATOM 0 HD22 LEU A 7 -4.971 -5.066 -4.862 1.00 0.17 H new ATOM 0 HD23 LEU A 7 -3.340 -5.297 -5.536 1.00 0.17 H new ATOM 126 N ILE A 8 -2.448 -1.997 -4.846 1.00 0.08 N ATOM 127 CA ILE A 8 -2.589 -0.564 -5.017 1.00 0.08 C ATOM 128 C ILE A 8 -4.008 -0.180 -5.425 1.00 0.08 C ATOM 129 O ILE A 8 -4.446 -0.478 -6.539 1.00 0.10 O ATOM 130 CB ILE A 8 -1.589 -0.080 -6.073 1.00 0.10 C ATOM 131 CG1 ILE A 8 -0.176 -0.422 -5.615 1.00 0.11 C ATOM 132 CG2 ILE A 8 -1.735 1.416 -6.310 1.00 0.12 C ATOM 133 CD1 ILE A 8 0.798 -0.581 -6.750 1.00 0.12 C ATOM 0 H ILE A 8 -2.449 -2.527 -5.717 1.00 0.08 H new ATOM 0 HA ILE A 8 -2.383 -0.084 -4.060 1.00 0.08 H new ATOM 0 HB ILE A 8 -1.792 -0.583 -7.019 1.00 0.10 H new ATOM 0 HG12 ILE A 8 0.181 0.362 -4.947 1.00 0.11 H new ATOM 0 HG13 ILE A 8 -0.203 -1.346 -5.037 1.00 0.11 H new ATOM 0 HG21 ILE A 8 -1.015 1.737 -7.063 1.00 0.12 H new ATOM 0 HG22 ILE A 8 -2.745 1.632 -6.658 1.00 0.12 H new ATOM 0 HG23 ILE A 8 -1.549 1.952 -5.379 1.00 0.12 H new ATOM 0 HD11 ILE A 8 1.783 -0.824 -6.352 1.00 0.12 H new ATOM 0 HD12 ILE A 8 0.464 -1.384 -7.407 1.00 0.12 H new ATOM 0 HD13 ILE A 8 0.854 0.350 -7.315 1.00 0.12 H new ATOM 145 N VAL A 9 -4.733 0.466 -4.519 1.00 0.09 N ATOM 146 CA VAL A 9 -6.083 0.905 -4.816 1.00 0.10 C ATOM 147 C VAL A 9 -6.085 2.277 -5.508 1.00 0.14 C ATOM 148 O VAL A 9 -5.788 3.300 -4.893 1.00 0.17 O ATOM 149 CB VAL A 9 -6.938 0.942 -3.532 1.00 0.11 C ATOM 150 CG1 VAL A 9 -8.275 1.620 -3.785 1.00 0.14 C ATOM 151 CG2 VAL A 9 -7.147 -0.474 -3.010 1.00 0.11 C ATOM 0 H VAL A 9 -4.408 0.694 -3.580 1.00 0.09 H new ATOM 0 HA VAL A 9 -6.524 0.184 -5.505 1.00 0.10 H new ATOM 0 HB VAL A 9 -6.407 1.524 -2.779 1.00 0.11 H new ATOM 0 HG11 VAL A 9 -8.857 1.632 -2.863 1.00 0.14 H new ATOM 0 HG12 VAL A 9 -8.106 2.643 -4.121 1.00 0.14 H new ATOM 0 HG13 VAL A 9 -8.822 1.072 -4.552 1.00 0.14 H new ATOM 0 HG21 VAL A 9 -7.751 -0.442 -2.103 1.00 0.11 H new ATOM 0 HG22 VAL A 9 -7.659 -1.069 -3.766 1.00 0.11 H new ATOM 0 HG23 VAL A 9 -6.181 -0.926 -2.786 1.00 0.11 H new ATOM 161 N ASP A 10 -6.397 2.266 -6.803 1.00 0.17 N ATOM 162 CA ASP A 10 -6.510 3.473 -7.614 1.00 0.21 C ATOM 163 C ASP A 10 -7.592 3.307 -8.685 1.00 0.24 C ATOM 164 O ASP A 10 -7.691 2.257 -9.310 1.00 0.38 O ATOM 165 CB ASP A 10 -5.181 3.783 -8.298 1.00 0.23 C ATOM 166 CG ASP A 10 -5.313 4.873 -9.350 1.00 0.76 C ATOM 167 OD1 ASP A 10 -5.987 5.882 -9.072 1.00 0.78 O ATOM 168 OD2 ASP A 10 -4.729 4.740 -10.440 1.00 1.27 O ATOM 0 H ASP A 10 -6.580 1.408 -7.323 1.00 0.17 H new ATOM 0 HA ASP A 10 -6.781 4.295 -6.951 1.00 0.21 H new ATOM 0 HB2 ASP A 10 -4.452 4.091 -7.548 1.00 0.23 H new ATOM 0 HB3 ASP A 10 -4.795 2.876 -8.764 1.00 0.23 H new ATOM 173 N ASP A 11 -8.385 4.346 -8.909 1.00 0.29 N ATOM 174 CA ASP A 11 -9.406 4.318 -9.955 1.00 0.30 C ATOM 175 C ASP A 11 -8.872 4.927 -11.240 1.00 0.28 C ATOM 176 O ASP A 11 -9.240 4.509 -12.339 1.00 0.32 O ATOM 177 CB ASP A 11 -10.660 5.071 -9.519 1.00 0.39 C ATOM 178 CG ASP A 11 -11.717 5.130 -10.609 1.00 0.79 C ATOM 179 OD1 ASP A 11 -12.429 4.119 -10.809 1.00 0.76 O ATOM 180 OD2 ASP A 11 -11.839 6.176 -11.277 1.00 1.40 O ATOM 0 H ASP A 11 -8.343 5.219 -8.383 1.00 0.29 H new ATOM 0 HA ASP A 11 -9.667 3.275 -10.132 1.00 0.30 H new ATOM 0 HB2 ASP A 11 -11.080 4.588 -8.637 1.00 0.39 H new ATOM 0 HB3 ASP A 11 -10.387 6.085 -9.228 1.00 0.39 H new ATOM 185 N GLN A 12 -7.962 5.884 -11.090 1.00 0.30 N ATOM 186 CA GLN A 12 -7.451 6.659 -12.217 1.00 0.35 C ATOM 187 C GLN A 12 -6.669 5.776 -13.182 1.00 0.31 C ATOM 188 O GLN A 12 -6.444 6.150 -14.334 1.00 0.38 O ATOM 189 CB GLN A 12 -6.558 7.787 -11.707 1.00 0.45 C ATOM 190 CG GLN A 12 -7.295 8.799 -10.846 1.00 0.59 C ATOM 191 CD GLN A 12 -6.372 9.780 -10.154 1.00 1.07 C ATOM 192 OE1 GLN A 12 -5.955 9.556 -9.018 1.00 1.90 O ATOM 193 NE2 GLN A 12 -6.043 10.870 -10.828 1.00 1.77 N ATOM 0 H GLN A 12 -7.559 6.144 -10.190 1.00 0.30 H new ATOM 0 HA GLN A 12 -8.301 7.081 -12.754 1.00 0.35 H new ATOM 0 HB2 GLN A 12 -5.738 7.359 -11.130 1.00 0.45 H new ATOM 0 HB3 GLN A 12 -6.113 8.301 -12.559 1.00 0.45 H new ATOM 0 HG2 GLN A 12 -8.000 9.351 -11.468 1.00 0.59 H new ATOM 0 HG3 GLN A 12 -7.880 8.269 -10.095 1.00 0.59 H new ATOM 0 HE21 GLN A 12 -6.410 11.019 -11.768 1.00 1.77 H new ATOM 0 HE22 GLN A 12 -5.422 11.562 -10.408 1.00 1.77 H new ATOM 202 N TYR A 13 -6.232 4.625 -12.672 1.00 0.24 N ATOM 203 CA TYR A 13 -5.483 3.617 -13.425 1.00 0.23 C ATOM 204 C TYR A 13 -4.010 3.979 -13.519 1.00 0.22 C ATOM 205 O TYR A 13 -3.143 3.116 -13.390 1.00 0.29 O ATOM 206 CB TYR A 13 -6.067 3.373 -14.823 1.00 0.30 C ATOM 207 CG TYR A 13 -5.248 2.410 -15.660 1.00 0.42 C ATOM 208 CD1 TYR A 13 -5.350 1.036 -15.477 1.00 0.56 C ATOM 209 CD2 TYR A 13 -4.381 2.876 -16.639 1.00 0.53 C ATOM 210 CE1 TYR A 13 -4.608 0.159 -16.246 1.00 0.72 C ATOM 211 CE2 TYR A 13 -3.639 2.004 -17.411 1.00 0.67 C ATOM 212 CZ TYR A 13 -3.735 0.640 -17.182 1.00 0.76 C ATOM 213 OH TYR A 13 -3.016 -0.224 -17.981 1.00 0.92 O ATOM 0 H TYR A 13 -6.392 4.360 -11.700 1.00 0.24 H new ATOM 0 HA TYR A 13 -5.577 2.685 -12.868 1.00 0.23 H new ATOM 0 HB2 TYR A 13 -7.080 2.984 -14.722 1.00 0.30 H new ATOM 0 HB3 TYR A 13 -6.142 4.325 -15.348 1.00 0.30 H new ATOM 0 HD1 TYR A 13 -6.019 0.648 -14.723 1.00 0.56 H new ATOM 0 HD2 TYR A 13 -4.285 3.940 -16.800 1.00 0.53 H new ATOM 0 HE1 TYR A 13 -4.718 -0.906 -16.107 1.00 0.72 H new ATOM 0 HE2 TYR A 13 -2.989 2.381 -18.187 1.00 0.67 H new ATOM 0 HH TYR A 13 -2.446 0.291 -18.589 1.00 0.92 H new ATOM 223 N GLY A 14 -3.722 5.249 -13.727 1.00 0.22 N ATOM 224 CA GLY A 14 -2.348 5.669 -13.832 1.00 0.25 C ATOM 225 C GLY A 14 -1.633 5.630 -12.507 1.00 0.23 C ATOM 226 O GLY A 14 -0.474 5.236 -12.448 1.00 0.22 O ATOM 0 H GLY A 14 -4.412 5.994 -13.825 1.00 0.22 H new ATOM 0 HA2 GLY A 14 -1.828 5.026 -14.542 1.00 0.25 H new ATOM 0 HA3 GLY A 14 -2.310 6.682 -14.233 1.00 0.25 H new ATOM 230 N ILE A 15 -2.328 5.997 -11.438 1.00 0.24 N ATOM 231 CA ILE A 15 -1.724 6.024 -10.112 1.00 0.23 C ATOM 232 C ILE A 15 -1.335 4.620 -9.703 1.00 0.20 C ATOM 233 O ILE A 15 -0.253 4.398 -9.148 1.00 0.19 O ATOM 234 CB ILE A 15 -2.685 6.580 -9.044 1.00 0.24 C ATOM 235 CG1 ILE A 15 -3.394 7.833 -9.564 1.00 0.28 C ATOM 236 CG2 ILE A 15 -1.935 6.887 -7.752 1.00 0.25 C ATOM 237 CD1 ILE A 15 -2.473 9.018 -9.767 1.00 0.29 C ATOM 0 H ILE A 15 -3.308 6.279 -11.463 1.00 0.24 H new ATOM 0 HA ILE A 15 -0.853 6.677 -10.172 1.00 0.23 H new ATOM 0 HB ILE A 15 -3.437 5.821 -8.830 1.00 0.24 H new ATOM 0 HG12 ILE A 15 -3.881 7.597 -10.510 1.00 0.28 H new ATOM 0 HG13 ILE A 15 -4.180 8.112 -8.862 1.00 0.28 H new ATOM 0 HG21 ILE A 15 -2.632 7.279 -7.011 1.00 0.25 H new ATOM 0 HG22 ILE A 15 -1.476 5.974 -7.372 1.00 0.25 H new ATOM 0 HG23 ILE A 15 -1.160 7.628 -7.948 1.00 0.25 H new ATOM 0 HD11 ILE A 15 -3.048 9.867 -10.137 1.00 0.29 H new ATOM 0 HD12 ILE A 15 -2.005 9.282 -8.819 1.00 0.29 H new ATOM 0 HD13 ILE A 15 -1.702 8.759 -10.492 1.00 0.29 H new ATOM 249 N ARG A 16 -2.220 3.665 -9.979 1.00 0.19 N ATOM 250 CA ARG A 16 -1.925 2.288 -9.671 1.00 0.17 C ATOM 251 C ARG A 16 -0.691 1.841 -10.423 1.00 0.16 C ATOM 252 O ARG A 16 0.184 1.207 -9.849 1.00 0.16 O ATOM 253 CB ARG A 16 -3.085 1.329 -9.969 1.00 0.19 C ATOM 254 CG ARG A 16 -4.176 1.867 -10.871 1.00 0.24 C ATOM 255 CD ARG A 16 -5.260 0.825 -11.070 1.00 0.38 C ATOM 256 NE ARG A 16 -6.511 1.382 -11.580 1.00 0.76 N ATOM 257 CZ ARG A 16 -7.267 0.798 -12.512 1.00 0.67 C ATOM 258 NH1 ARG A 16 -6.855 -0.317 -13.108 1.00 0.95 N ATOM 259 NH2 ARG A 16 -8.430 1.342 -12.858 1.00 1.51 N ATOM 0 H ARG A 16 -3.131 3.826 -10.409 1.00 0.19 H new ATOM 0 HA ARG A 16 -1.753 2.247 -8.595 1.00 0.17 H new ATOM 0 HB2 ARG A 16 -2.677 0.427 -10.424 1.00 0.19 H new ATOM 0 HB3 ARG A 16 -3.537 1.032 -9.023 1.00 0.19 H new ATOM 0 HG2 ARG A 16 -4.605 2.769 -10.435 1.00 0.24 H new ATOM 0 HG3 ARG A 16 -3.753 2.150 -11.835 1.00 0.24 H new ATOM 0 HD2 ARG A 16 -4.900 0.064 -11.763 1.00 0.38 H new ATOM 0 HD3 ARG A 16 -5.453 0.326 -10.120 1.00 0.38 H new ATOM 0 HE ARG A 16 -6.827 2.274 -11.199 1.00 0.76 H new ATOM 0 HH11 ARG A 16 -5.958 -0.730 -12.853 1.00 0.95 H new ATOM 0 HH12 ARG A 16 -7.436 -0.760 -13.820 1.00 0.95 H new ATOM 0 HH21 ARG A 16 -8.743 2.204 -12.411 1.00 1.51 H new ATOM 0 HH22 ARG A 16 -9.009 0.897 -13.570 1.00 1.51 H new ATOM 273 N ILE A 17 -0.619 2.191 -11.702 1.00 0.17 N ATOM 274 CA ILE A 17 0.545 1.868 -12.515 1.00 0.18 C ATOM 275 C ILE A 17 1.788 2.552 -11.954 1.00 0.19 C ATOM 276 O ILE A 17 2.858 1.956 -11.920 1.00 0.19 O ATOM 277 CB ILE A 17 0.349 2.288 -13.994 1.00 0.21 C ATOM 278 CG1 ILE A 17 -0.864 1.579 -14.605 1.00 0.19 C ATOM 279 CG2 ILE A 17 1.603 1.993 -14.811 1.00 0.28 C ATOM 280 CD1 ILE A 17 -0.764 0.070 -14.601 1.00 0.23 C ATOM 0 H ILE A 17 -1.353 2.698 -12.197 1.00 0.17 H new ATOM 0 HA ILE A 17 0.673 0.786 -12.483 1.00 0.18 H new ATOM 0 HB ILE A 17 0.167 3.363 -14.017 1.00 0.21 H new ATOM 0 HG12 ILE A 17 -1.758 1.875 -14.057 1.00 0.19 H new ATOM 0 HG13 ILE A 17 -0.992 1.921 -15.632 1.00 0.19 H new ATOM 0 HG21 ILE A 17 1.443 2.296 -15.846 1.00 0.28 H new ATOM 0 HG22 ILE A 17 2.446 2.547 -14.397 1.00 0.28 H new ATOM 0 HG23 ILE A 17 1.818 0.925 -14.775 1.00 0.28 H new ATOM 0 HD11 ILE A 17 -1.662 -0.355 -15.050 1.00 0.23 H new ATOM 0 HD12 ILE A 17 0.110 -0.238 -15.175 1.00 0.23 H new ATOM 0 HD13 ILE A 17 -0.668 -0.286 -13.575 1.00 0.23 H new ATOM 292 N LEU A 18 1.636 3.792 -11.485 1.00 0.20 N ATOM 293 CA LEU A 18 2.763 4.542 -10.932 1.00 0.21 C ATOM 294 C LEU A 18 3.403 3.791 -9.776 1.00 0.18 C ATOM 295 O LEU A 18 4.623 3.664 -9.703 1.00 0.18 O ATOM 296 CB LEU A 18 2.332 5.926 -10.438 1.00 0.23 C ATOM 297 CG LEU A 18 1.696 6.829 -11.489 1.00 0.26 C ATOM 298 CD1 LEU A 18 1.350 8.184 -10.886 1.00 0.31 C ATOM 299 CD2 LEU A 18 2.620 6.994 -12.689 1.00 0.29 C ATOM 0 H LEU A 18 0.749 4.295 -11.477 1.00 0.20 H new ATOM 0 HA LEU A 18 3.486 4.660 -11.739 1.00 0.21 H new ATOM 0 HB2 LEU A 18 1.624 5.796 -9.619 1.00 0.23 H new ATOM 0 HB3 LEU A 18 3.205 6.434 -10.028 1.00 0.23 H new ATOM 0 HG LEU A 18 0.775 6.360 -11.833 1.00 0.26 H new ATOM 0 HD11 LEU A 18 0.897 8.817 -11.649 1.00 0.31 H new ATOM 0 HD12 LEU A 18 0.648 8.048 -10.064 1.00 0.31 H new ATOM 0 HD13 LEU A 18 2.258 8.659 -10.513 1.00 0.31 H new ATOM 0 HD21 LEU A 18 2.146 7.642 -13.427 1.00 0.29 H new ATOM 0 HD22 LEU A 18 3.561 7.440 -12.365 1.00 0.29 H new ATOM 0 HD23 LEU A 18 2.815 6.019 -13.135 1.00 0.29 H new ATOM 311 N LEU A 19 2.576 3.286 -8.875 1.00 0.16 N ATOM 312 CA LEU A 19 3.083 2.534 -7.740 1.00 0.13 C ATOM 313 C LEU A 19 3.450 1.129 -8.178 1.00 0.12 C ATOM 314 O LEU A 19 4.400 0.549 -7.676 1.00 0.11 O ATOM 315 CB LEU A 19 2.059 2.484 -6.602 1.00 0.14 C ATOM 316 CG LEU A 19 1.456 3.829 -6.188 1.00 0.14 C ATOM 317 CD1 LEU A 19 0.611 3.673 -4.935 1.00 0.14 C ATOM 318 CD2 LEU A 19 2.537 4.881 -5.973 1.00 0.17 C ATOM 0 H LEU A 19 1.561 3.382 -8.907 1.00 0.16 H new ATOM 0 HA LEU A 19 3.972 3.040 -7.365 1.00 0.13 H new ATOM 0 HB2 LEU A 19 1.247 1.819 -6.898 1.00 0.14 H new ATOM 0 HB3 LEU A 19 2.535 2.037 -5.729 1.00 0.14 H new ATOM 0 HG LEU A 19 0.816 4.169 -7.002 1.00 0.14 H new ATOM 0 HD11 LEU A 19 0.191 4.640 -4.657 1.00 0.14 H new ATOM 0 HD12 LEU A 19 -0.198 2.968 -5.127 1.00 0.14 H new ATOM 0 HD13 LEU A 19 1.233 3.299 -4.121 1.00 0.14 H new ATOM 0 HD21 LEU A 19 2.074 5.823 -5.680 1.00 0.17 H new ATOM 0 HD22 LEU A 19 3.216 4.550 -5.187 1.00 0.17 H new ATOM 0 HD23 LEU A 19 3.096 5.023 -6.898 1.00 0.17 H new ATOM 330 N ASN A 20 2.704 0.598 -9.133 1.00 0.12 N ATOM 331 CA ASN A 20 2.980 -0.729 -9.674 1.00 0.12 C ATOM 332 C ASN A 20 4.398 -0.775 -10.235 1.00 0.13 C ATOM 333 O ASN A 20 5.204 -1.618 -9.846 1.00 0.14 O ATOM 334 CB ASN A 20 1.959 -1.078 -10.769 1.00 0.15 C ATOM 335 CG ASN A 20 0.870 -2.017 -10.280 1.00 0.17 C ATOM 336 OD1 ASN A 20 0.998 -3.236 -10.380 1.00 0.20 O ATOM 337 ND2 ASN A 20 -0.205 -1.463 -9.741 1.00 0.19 N ATOM 0 H ASN A 20 1.900 1.065 -9.553 1.00 0.12 H new ATOM 0 HA ASN A 20 2.894 -1.464 -8.874 1.00 0.12 H new ATOM 0 HB2 ASN A 20 1.502 -0.160 -11.139 1.00 0.15 H new ATOM 0 HB3 ASN A 20 2.478 -1.537 -11.610 1.00 0.15 H new ATOM 0 HD21 ASN A 20 -0.961 -2.052 -9.392 1.00 0.19 H new ATOM 0 HD22 ASN A 20 -0.277 -0.448 -9.675 1.00 0.19 H new ATOM 344 N GLU A 21 4.712 0.176 -11.105 1.00 0.15 N ATOM 345 CA GLU A 21 6.011 0.211 -11.763 1.00 0.17 C ATOM 346 C GLU A 21 7.128 0.605 -10.802 1.00 0.17 C ATOM 347 O GLU A 21 8.254 0.160 -10.960 1.00 0.23 O ATOM 348 CB GLU A 21 6.001 1.186 -12.943 1.00 0.19 C ATOM 349 CG GLU A 21 5.759 2.627 -12.530 1.00 0.21 C ATOM 350 CD GLU A 21 6.057 3.620 -13.631 1.00 0.27 C ATOM 351 OE1 GLU A 21 5.192 3.807 -14.514 1.00 0.33 O ATOM 352 OE2 GLU A 21 7.158 4.198 -13.636 1.00 0.40 O ATOM 0 H GLU A 21 4.084 0.934 -11.372 1.00 0.15 H new ATOM 0 HA GLU A 21 6.204 -0.799 -12.124 1.00 0.17 H new ATOM 0 HB2 GLU A 21 6.955 1.121 -13.467 1.00 0.19 H new ATOM 0 HB3 GLU A 21 5.228 0.883 -13.649 1.00 0.19 H new ATOM 0 HG2 GLU A 21 4.720 2.740 -12.219 1.00 0.21 H new ATOM 0 HG3 GLU A 21 6.378 2.859 -11.663 1.00 0.21 H new ATOM 359 N VAL A 22 6.821 1.446 -9.818 1.00 0.15 N ATOM 360 CA VAL A 22 7.839 1.952 -8.898 1.00 0.17 C ATOM 361 C VAL A 22 8.068 1.012 -7.725 1.00 0.16 C ATOM 362 O VAL A 22 9.164 0.928 -7.187 1.00 0.20 O ATOM 363 CB VAL A 22 7.486 3.364 -8.395 1.00 0.18 C ATOM 364 CG1 VAL A 22 8.277 3.713 -7.145 1.00 0.27 C ATOM 365 CG2 VAL A 22 7.760 4.382 -9.487 1.00 0.21 C ATOM 0 H VAL A 22 5.879 1.791 -9.636 1.00 0.15 H new ATOM 0 HA VAL A 22 8.770 2.009 -9.462 1.00 0.17 H new ATOM 0 HB VAL A 22 6.426 3.383 -8.140 1.00 0.18 H new ATOM 0 HG11 VAL A 22 8.008 4.715 -6.812 1.00 0.27 H new ATOM 0 HG12 VAL A 22 8.048 2.995 -6.357 1.00 0.27 H new ATOM 0 HG13 VAL A 22 9.343 3.679 -7.368 1.00 0.27 H new ATOM 0 HG21 VAL A 22 7.509 5.379 -9.126 1.00 0.21 H new ATOM 0 HG22 VAL A 22 8.815 4.350 -9.758 1.00 0.21 H new ATOM 0 HG23 VAL A 22 7.153 4.149 -10.362 1.00 0.21 H new ATOM 375 N PHE A 23 7.061 0.292 -7.323 1.00 0.12 N ATOM 376 CA PHE A 23 7.279 -0.738 -6.342 1.00 0.10 C ATOM 377 C PHE A 23 8.048 -1.854 -7.011 1.00 0.11 C ATOM 378 O PHE A 23 9.078 -2.304 -6.519 1.00 0.15 O ATOM 379 CB PHE A 23 5.958 -1.238 -5.755 1.00 0.10 C ATOM 380 CG PHE A 23 5.312 -0.270 -4.805 1.00 0.13 C ATOM 381 CD1 PHE A 23 6.079 0.476 -3.928 1.00 0.32 C ATOM 382 CD2 PHE A 23 3.940 -0.107 -4.785 1.00 0.18 C ATOM 383 CE1 PHE A 23 5.492 1.369 -3.053 1.00 0.38 C ATOM 384 CE2 PHE A 23 3.347 0.782 -3.913 1.00 0.18 C ATOM 385 CZ PHE A 23 4.112 1.520 -3.051 1.00 0.26 C ATOM 0 H PHE A 23 6.100 0.393 -7.649 1.00 0.12 H new ATOM 0 HA PHE A 23 7.852 -0.342 -5.504 1.00 0.10 H new ATOM 0 HB2 PHE A 23 5.266 -1.449 -6.570 1.00 0.10 H new ATOM 0 HB3 PHE A 23 6.135 -2.179 -5.235 1.00 0.10 H new ATOM 0 HD1 PHE A 23 7.153 0.358 -3.928 1.00 0.32 H new ATOM 0 HD2 PHE A 23 3.325 -0.683 -5.460 1.00 0.18 H new ATOM 0 HE1 PHE A 23 6.103 1.946 -2.375 1.00 0.38 H new ATOM 0 HE2 PHE A 23 2.273 0.896 -3.910 1.00 0.18 H new ATOM 0 HZ PHE A 23 3.644 2.217 -2.372 1.00 0.26 H new ATOM 395 N ASN A 24 7.600 -2.232 -8.189 1.00 0.12 N ATOM 396 CA ASN A 24 8.259 -3.285 -8.928 1.00 0.14 C ATOM 397 C ASN A 24 9.642 -2.837 -9.331 1.00 0.18 C ATOM 398 O ASN A 24 10.553 -3.653 -9.400 1.00 0.20 O ATOM 399 CB ASN A 24 7.446 -3.708 -10.153 1.00 0.16 C ATOM 400 CG ASN A 24 6.270 -4.603 -9.803 1.00 0.16 C ATOM 401 OD1 ASN A 24 5.824 -5.406 -10.624 1.00 0.21 O ATOM 402 ND2 ASN A 24 5.774 -4.489 -8.582 1.00 0.15 N ATOM 0 H ASN A 24 6.786 -1.828 -8.653 1.00 0.12 H new ATOM 0 HA ASN A 24 8.341 -4.157 -8.280 1.00 0.14 H new ATOM 0 HB2 ASN A 24 7.079 -2.818 -10.664 1.00 0.16 H new ATOM 0 HB3 ASN A 24 8.098 -4.231 -10.853 1.00 0.16 H new ATOM 0 HD21 ASN A 24 4.994 -5.079 -8.291 1.00 0.15 H new ATOM 0 HD22 ASN A 24 6.172 -3.812 -7.931 1.00 0.15 H new ATOM 409 N LYS A 25 9.795 -1.518 -9.536 1.00 0.19 N ATOM 410 CA LYS A 25 11.077 -0.931 -9.947 1.00 0.25 C ATOM 411 C LYS A 25 12.113 -1.259 -8.916 1.00 0.24 C ATOM 412 O LYS A 25 13.273 -1.541 -9.218 1.00 0.30 O ATOM 413 CB LYS A 25 10.999 0.605 -10.096 1.00 0.28 C ATOM 414 CG LYS A 25 11.354 1.404 -8.828 1.00 0.25 C ATOM 415 CD LYS A 25 11.875 2.793 -9.151 1.00 0.38 C ATOM 416 CE LYS A 25 13.215 2.730 -9.868 1.00 1.18 C ATOM 417 NZ LYS A 25 13.880 4.057 -9.921 1.00 1.65 N ATOM 0 H LYS A 25 9.043 -0.838 -9.423 1.00 0.19 H new ATOM 0 HA LYS A 25 11.336 -1.350 -10.920 1.00 0.25 H new ATOM 0 HB2 LYS A 25 11.670 0.911 -10.899 1.00 0.28 H new ATOM 0 HB3 LYS A 25 9.989 0.874 -10.405 1.00 0.28 H new ATOM 0 HG2 LYS A 25 10.471 1.488 -8.194 1.00 0.25 H new ATOM 0 HG3 LYS A 25 12.106 0.860 -8.257 1.00 0.25 H new ATOM 0 HD2 LYS A 25 11.152 3.319 -9.774 1.00 0.38 H new ATOM 0 HD3 LYS A 25 11.980 3.367 -8.230 1.00 0.38 H new ATOM 0 HE2 LYS A 25 13.865 2.019 -9.359 1.00 1.18 H new ATOM 0 HE3 LYS A 25 13.067 2.358 -10.882 1.00 1.18 H new ATOM 0 HZ1 LYS A 25 14.790 3.970 -10.418 1.00 1.65 H new ATOM 0 HZ2 LYS A 25 13.271 4.730 -10.429 1.00 1.65 H new ATOM 0 HZ3 LYS A 25 14.045 4.401 -8.954 1.00 1.65 H new ATOM 431 N GLU A 26 11.659 -1.219 -7.689 1.00 0.21 N ATOM 432 CA GLU A 26 12.506 -1.491 -6.566 1.00 0.26 C ATOM 433 C GLU A 26 12.867 -2.963 -6.560 1.00 0.36 C ATOM 434 O GLU A 26 13.963 -3.352 -6.170 1.00 0.78 O ATOM 435 CB GLU A 26 11.786 -1.090 -5.289 1.00 0.23 C ATOM 436 CG GLU A 26 11.590 0.408 -5.174 1.00 0.25 C ATOM 437 CD GLU A 26 12.887 1.121 -4.844 1.00 0.44 C ATOM 438 OE1 GLU A 26 13.371 0.981 -3.697 1.00 0.55 O ATOM 439 OE2 GLU A 26 13.422 1.828 -5.719 1.00 0.68 O ATOM 0 H GLU A 26 10.694 -0.997 -7.445 1.00 0.21 H new ATOM 0 HA GLU A 26 13.428 -0.914 -6.633 1.00 0.26 H new ATOM 0 HB2 GLU A 26 10.815 -1.583 -5.254 1.00 0.23 H new ATOM 0 HB3 GLU A 26 12.355 -1.445 -4.429 1.00 0.23 H new ATOM 0 HG2 GLU A 26 11.190 0.795 -6.111 1.00 0.25 H new ATOM 0 HG3 GLU A 26 10.852 0.620 -4.401 1.00 0.25 H new ATOM 446 N GLY A 27 11.945 -3.760 -7.069 1.00 0.19 N ATOM 447 CA GLY A 27 12.100 -5.192 -7.081 1.00 0.21 C ATOM 448 C GLY A 27 10.913 -5.870 -6.444 1.00 0.25 C ATOM 449 O GLY A 27 11.016 -6.999 -5.963 1.00 0.45 O ATOM 0 H GLY A 27 11.073 -3.429 -7.483 1.00 0.19 H new ATOM 0 HA2 GLY A 27 12.214 -5.540 -8.108 1.00 0.21 H new ATOM 0 HA3 GLY A 27 13.010 -5.467 -6.548 1.00 0.21 H new ATOM 453 N TYR A 28 9.774 -5.186 -6.437 1.00 0.15 N ATOM 454 CA TYR A 28 8.615 -5.684 -5.690 1.00 0.15 C ATOM 455 C TYR A 28 7.668 -6.444 -6.610 1.00 0.14 C ATOM 456 O TYR A 28 7.993 -6.704 -7.769 1.00 0.19 O ATOM 457 CB TYR A 28 7.830 -4.541 -5.029 1.00 0.20 C ATOM 458 CG TYR A 28 8.620 -3.703 -4.055 1.00 0.34 C ATOM 459 CD1 TYR A 28 9.888 -4.070 -3.638 1.00 0.84 C ATOM 460 CD2 TYR A 28 8.100 -2.508 -3.589 1.00 0.89 C ATOM 461 CE1 TYR A 28 10.615 -3.262 -2.795 1.00 0.93 C ATOM 462 CE2 TYR A 28 8.817 -1.702 -2.741 1.00 1.04 C ATOM 463 CZ TYR A 28 10.071 -2.083 -2.347 1.00 0.75 C ATOM 464 OH TYR A 28 10.794 -1.271 -1.523 1.00 0.98 O ATOM 0 H TYR A 28 9.625 -4.304 -6.927 1.00 0.15 H new ATOM 0 HA TYR A 28 9.003 -6.347 -4.916 1.00 0.15 H new ATOM 0 HB2 TYR A 28 7.439 -3.890 -5.811 1.00 0.20 H new ATOM 0 HB3 TYR A 28 6.972 -4.964 -4.507 1.00 0.20 H new ATOM 0 HD1 TYR A 28 10.312 -5.003 -3.979 1.00 0.84 H new ATOM 0 HD2 TYR A 28 7.111 -2.204 -3.899 1.00 0.89 H new ATOM 0 HE1 TYR A 28 11.608 -3.553 -2.487 1.00 0.93 H new ATOM 0 HE2 TYR A 28 8.395 -0.773 -2.387 1.00 1.04 H new ATOM 0 HH TYR A 28 10.532 -0.338 -1.671 1.00 0.98 H new ATOM 474 N GLN A 29 6.498 -6.788 -6.085 1.00 0.14 N ATOM 475 CA GLN A 29 5.426 -7.349 -6.879 1.00 0.16 C ATOM 476 C GLN A 29 4.145 -6.606 -6.524 1.00 0.14 C ATOM 477 O GLN A 29 3.804 -6.498 -5.355 1.00 0.17 O ATOM 478 CB GLN A 29 5.292 -8.846 -6.589 1.00 0.23 C ATOM 479 CG GLN A 29 4.106 -9.497 -7.270 1.00 1.14 C ATOM 480 CD GLN A 29 4.021 -10.997 -7.026 1.00 1.32 C ATOM 481 OE1 GLN A 29 3.478 -11.727 -7.850 1.00 1.95 O ATOM 482 NE2 GLN A 29 4.557 -11.479 -5.905 1.00 0.97 N ATOM 0 H GLN A 29 6.272 -6.683 -5.096 1.00 0.14 H new ATOM 0 HA GLN A 29 5.632 -7.237 -7.943 1.00 0.16 H new ATOM 0 HB2 GLN A 29 6.204 -9.351 -6.907 1.00 0.23 H new ATOM 0 HB3 GLN A 29 5.206 -8.992 -5.512 1.00 0.23 H new ATOM 0 HG2 GLN A 29 3.189 -9.026 -6.916 1.00 1.14 H new ATOM 0 HG3 GLN A 29 4.166 -9.313 -8.343 1.00 1.14 H new ATOM 0 HE21 GLN A 29 5.002 -10.847 -5.239 1.00 0.97 H new ATOM 0 HE22 GLN A 29 4.523 -12.480 -5.713 1.00 0.97 H new ATOM 491 N THR A 30 3.448 -6.078 -7.515 1.00 0.13 N ATOM 492 CA THR A 30 2.311 -5.204 -7.249 1.00 0.12 C ATOM 493 C THR A 30 1.038 -5.713 -7.888 1.00 0.14 C ATOM 494 O THR A 30 1.053 -6.635 -8.708 1.00 0.21 O ATOM 495 CB THR A 30 2.569 -3.767 -7.747 1.00 0.11 C ATOM 496 OG1 THR A 30 3.260 -3.807 -8.994 1.00 0.13 O ATOM 497 CG2 THR A 30 3.359 -2.971 -6.724 1.00 0.10 C ATOM 0 H THR A 30 3.644 -6.235 -8.504 1.00 0.13 H new ATOM 0 HA THR A 30 2.188 -5.199 -6.166 1.00 0.12 H new ATOM 0 HB THR A 30 1.610 -3.269 -7.887 1.00 0.11 H new ATOM 0 HG1 THR A 30 2.615 -3.733 -9.728 1.00 0.13 H new ATOM 0 HG21 THR A 30 3.527 -1.962 -7.100 1.00 0.10 H new ATOM 0 HG22 THR A 30 2.799 -2.922 -5.790 1.00 0.10 H new ATOM 0 HG23 THR A 30 4.318 -3.457 -6.547 1.00 0.10 H new ATOM 505 N PHE A 31 -0.059 -5.105 -7.484 1.00 0.11 N ATOM 506 CA PHE A 31 -1.347 -5.355 -8.076 1.00 0.13 C ATOM 507 C PHE A 31 -2.193 -4.104 -7.884 1.00 0.11 C ATOM 508 O PHE A 31 -1.728 -3.147 -7.268 1.00 0.10 O ATOM 509 CB PHE A 31 -2.019 -6.580 -7.457 1.00 0.15 C ATOM 510 CG PHE A 31 -2.346 -7.644 -8.464 1.00 0.19 C ATOM 511 CD1 PHE A 31 -3.536 -7.601 -9.174 1.00 0.28 C ATOM 512 CD2 PHE A 31 -1.460 -8.678 -8.709 1.00 0.30 C ATOM 513 CE1 PHE A 31 -3.833 -8.572 -10.111 1.00 0.42 C ATOM 514 CE2 PHE A 31 -1.752 -9.650 -9.646 1.00 0.43 C ATOM 515 CZ PHE A 31 -2.939 -9.598 -10.348 1.00 0.48 C ATOM 0 H PHE A 31 -0.076 -4.419 -6.729 1.00 0.11 H new ATOM 0 HA PHE A 31 -1.234 -5.573 -9.138 1.00 0.13 H new ATOM 0 HB2 PHE A 31 -1.364 -7.000 -6.694 1.00 0.15 H new ATOM 0 HB3 PHE A 31 -2.935 -6.269 -6.955 1.00 0.15 H new ATOM 0 HD1 PHE A 31 -4.238 -6.800 -8.993 1.00 0.28 H new ATOM 0 HD2 PHE A 31 -0.530 -8.726 -8.162 1.00 0.30 H new ATOM 0 HE1 PHE A 31 -4.763 -8.529 -10.658 1.00 0.42 H new ATOM 0 HE2 PHE A 31 -1.051 -10.451 -9.829 1.00 0.43 H new ATOM 0 HZ PHE A 31 -3.168 -10.358 -11.081 1.00 0.48 H new ATOM 525 N GLN A 32 -3.413 -4.084 -8.390 1.00 0.13 N ATOM 526 CA GLN A 32 -4.206 -2.865 -8.344 1.00 0.13 C ATOM 527 C GLN A 32 -5.692 -3.137 -8.136 1.00 0.14 C ATOM 528 O GLN A 32 -6.169 -4.257 -8.296 1.00 0.18 O ATOM 529 CB GLN A 32 -3.980 -2.072 -9.623 1.00 0.15 C ATOM 530 CG GLN A 32 -4.106 -2.911 -10.874 1.00 0.17 C ATOM 531 CD GLN A 32 -3.521 -2.221 -12.089 1.00 0.56 C ATOM 532 OE1 GLN A 32 -4.217 -1.494 -12.798 1.00 1.29 O ATOM 533 NE2 GLN A 32 -2.236 -2.442 -12.332 1.00 0.44 N ATOM 0 H GLN A 32 -3.872 -4.882 -8.830 1.00 0.13 H new ATOM 0 HA GLN A 32 -3.877 -2.285 -7.482 1.00 0.13 H new ATOM 0 HB2 GLN A 32 -4.699 -1.254 -9.668 1.00 0.15 H new ATOM 0 HB3 GLN A 32 -2.988 -1.622 -9.593 1.00 0.15 H new ATOM 0 HG2 GLN A 32 -3.601 -3.865 -10.722 1.00 0.17 H new ATOM 0 HG3 GLN A 32 -5.158 -3.133 -11.056 1.00 0.17 H new ATOM 0 HE21 GLN A 32 -1.698 -3.052 -11.717 1.00 0.44 H new ATOM 0 HE22 GLN A 32 -1.786 -2.001 -13.134 1.00 0.44 H new ATOM 542 N ALA A 33 -6.402 -2.078 -7.776 1.00 0.13 N ATOM 543 CA ALA A 33 -7.836 -2.128 -7.507 1.00 0.15 C ATOM 544 C ALA A 33 -8.438 -0.767 -7.758 1.00 0.20 C ATOM 545 O ALA A 33 -7.861 0.226 -7.369 1.00 0.32 O ATOM 546 CB ALA A 33 -8.094 -2.527 -6.070 1.00 0.16 C ATOM 0 H ALA A 33 -5.997 -1.149 -7.661 1.00 0.13 H new ATOM 0 HA ALA A 33 -8.290 -2.868 -8.166 1.00 0.15 H new ATOM 0 HB1 ALA A 33 -9.168 -2.559 -5.888 1.00 0.16 H new ATOM 0 HB2 ALA A 33 -7.665 -3.511 -5.883 1.00 0.16 H new ATOM 0 HB3 ALA A 33 -7.635 -1.798 -5.402 1.00 0.16 H new ATOM 552 N ALA A 34 -9.598 -0.714 -8.378 1.00 0.29 N ATOM 553 CA ALA A 34 -10.202 0.567 -8.729 1.00 0.32 C ATOM 554 C ALA A 34 -11.150 1.090 -7.645 1.00 0.33 C ATOM 555 O ALA A 34 -11.962 1.972 -7.912 1.00 0.47 O ATOM 556 CB ALA A 34 -10.935 0.444 -10.058 1.00 0.34 C ATOM 0 H ALA A 34 -10.143 -1.532 -8.650 1.00 0.29 H new ATOM 0 HA ALA A 34 -9.394 1.294 -8.818 1.00 0.32 H new ATOM 0 HB1 ALA A 34 -11.384 1.403 -10.316 1.00 0.34 H new ATOM 0 HB2 ALA A 34 -10.230 0.152 -10.837 1.00 0.34 H new ATOM 0 HB3 ALA A 34 -11.716 -0.312 -9.974 1.00 0.34 H new ATOM 562 N ASN A 35 -11.050 0.576 -6.417 1.00 0.40 N ATOM 563 CA ASN A 35 -11.969 1.020 -5.358 1.00 0.46 C ATOM 564 C ASN A 35 -11.443 0.704 -3.964 1.00 0.69 C ATOM 565 O ASN A 35 -11.517 1.519 -3.053 1.00 1.79 O ATOM 566 CB ASN A 35 -13.328 0.337 -5.522 1.00 0.36 C ATOM 567 CG ASN A 35 -14.380 0.894 -4.575 1.00 0.50 C ATOM 568 OD1 ASN A 35 -15.142 1.787 -4.935 1.00 0.96 O ATOM 569 ND2 ASN A 35 -14.415 0.388 -3.347 1.00 0.31 N ATOM 0 H ASN A 35 -10.366 -0.126 -6.133 1.00 0.40 H new ATOM 0 HA ASN A 35 -12.062 2.101 -5.458 1.00 0.46 H new ATOM 0 HB2 ASN A 35 -13.669 0.458 -6.550 1.00 0.36 H new ATOM 0 HB3 ASN A 35 -13.216 -0.733 -5.347 1.00 0.36 H new ATOM 0 HD21 ASN A 35 -15.090 0.741 -2.669 1.00 0.31 H new ATOM 0 HD22 ASN A 35 -13.767 -0.354 -3.082 1.00 0.31 H new ATOM 576 N GLY A 36 -10.928 -0.500 -3.806 1.00 0.36 N ATOM 577 CA GLY A 36 -10.605 -1.013 -2.490 1.00 0.19 C ATOM 578 C GLY A 36 -11.203 -2.383 -2.326 1.00 0.13 C ATOM 579 O GLY A 36 -10.511 -3.336 -2.001 1.00 0.12 O ATOM 0 H GLY A 36 -10.725 -1.141 -4.573 1.00 0.36 H new ATOM 0 HA2 GLY A 36 -9.524 -1.059 -2.361 1.00 0.19 H new ATOM 0 HA3 GLY A 36 -10.990 -0.342 -1.722 1.00 0.19 H new ATOM 583 N LEU A 37 -12.499 -2.470 -2.616 1.00 0.15 N ATOM 584 CA LEU A 37 -13.250 -3.728 -2.583 1.00 0.16 C ATOM 585 C LEU A 37 -12.641 -4.754 -3.520 1.00 0.17 C ATOM 586 O LEU A 37 -12.885 -5.951 -3.409 1.00 0.22 O ATOM 587 CB LEU A 37 -14.688 -3.466 -3.011 1.00 0.20 C ATOM 588 CG LEU A 37 -15.539 -2.695 -2.003 1.00 0.24 C ATOM 589 CD1 LEU A 37 -16.709 -2.017 -2.699 1.00 0.29 C ATOM 590 CD2 LEU A 37 -16.044 -3.632 -0.918 1.00 0.30 C ATOM 0 H LEU A 37 -13.064 -1.664 -2.883 1.00 0.15 H new ATOM 0 HA LEU A 37 -13.217 -4.119 -1.566 1.00 0.16 H new ATOM 0 HB2 LEU A 37 -14.675 -2.912 -3.950 1.00 0.20 H new ATOM 0 HB3 LEU A 37 -15.170 -4.423 -3.212 1.00 0.20 H new ATOM 0 HG LEU A 37 -14.919 -1.926 -1.543 1.00 0.24 H new ATOM 0 HD11 LEU A 37 -17.303 -1.473 -1.965 1.00 0.29 H new ATOM 0 HD12 LEU A 37 -16.333 -1.321 -3.449 1.00 0.29 H new ATOM 0 HD13 LEU A 37 -17.331 -2.770 -3.183 1.00 0.29 H new ATOM 0 HD21 LEU A 37 -16.649 -3.071 -0.206 1.00 0.30 H new ATOM 0 HD22 LEU A 37 -16.650 -4.418 -1.369 1.00 0.30 H new ATOM 0 HD23 LEU A 37 -15.196 -4.080 -0.400 1.00 0.30 H new ATOM 602 N GLN A 38 -11.840 -4.269 -4.437 1.00 0.14 N ATOM 603 CA GLN A 38 -11.252 -5.117 -5.445 1.00 0.15 C ATOM 604 C GLN A 38 -9.947 -5.681 -4.926 1.00 0.12 C ATOM 605 O GLN A 38 -9.692 -6.876 -5.037 1.00 0.14 O ATOM 606 CB GLN A 38 -11.033 -4.329 -6.731 1.00 0.21 C ATOM 607 CG GLN A 38 -11.939 -3.118 -6.840 1.00 0.22 C ATOM 608 CD GLN A 38 -12.178 -2.695 -8.275 1.00 0.59 C ATOM 609 OE1 GLN A 38 -11.314 -2.865 -9.133 1.00 1.57 O ATOM 610 NE2 GLN A 38 -13.347 -2.141 -8.545 1.00 1.03 N ATOM 0 H GLN A 38 -11.579 -3.285 -4.506 1.00 0.14 H new ATOM 0 HA GLN A 38 -11.927 -5.943 -5.668 1.00 0.15 H new ATOM 0 HB2 GLN A 38 -9.993 -4.005 -6.780 1.00 0.21 H new ATOM 0 HB3 GLN A 38 -11.204 -4.983 -7.586 1.00 0.21 H new ATOM 0 HG2 GLN A 38 -12.895 -3.341 -6.367 1.00 0.22 H new ATOM 0 HG3 GLN A 38 -11.497 -2.288 -6.289 1.00 0.22 H new ATOM 0 HE21 GLN A 38 -14.037 -2.018 -7.804 1.00 1.03 H new ATOM 0 HE22 GLN A 38 -13.560 -1.836 -9.495 1.00 1.03 H new ATOM 619 N ALA A 39 -9.127 -4.803 -4.353 1.00 0.11 N ATOM 620 CA ALA A 39 -7.941 -5.226 -3.629 1.00 0.10 C ATOM 621 C ALA A 39 -8.356 -6.153 -2.499 1.00 0.10 C ATOM 622 O ALA A 39 -7.659 -7.091 -2.161 1.00 0.11 O ATOM 623 CB ALA A 39 -7.183 -4.026 -3.078 1.00 0.11 C ATOM 0 H ALA A 39 -9.267 -3.793 -4.379 1.00 0.11 H new ATOM 0 HA ALA A 39 -7.275 -5.754 -4.312 1.00 0.10 H new ATOM 0 HB1 ALA A 39 -6.299 -4.369 -2.540 1.00 0.11 H new ATOM 0 HB2 ALA A 39 -6.878 -3.379 -3.901 1.00 0.11 H new ATOM 0 HB3 ALA A 39 -7.828 -3.469 -2.398 1.00 0.11 H new ATOM 629 N LEU A 40 -9.520 -5.862 -1.938 1.00 0.11 N ATOM 630 CA LEU A 40 -10.157 -6.697 -0.932 1.00 0.13 C ATOM 631 C LEU A 40 -10.260 -8.133 -1.430 1.00 0.13 C ATOM 632 O LEU A 40 -9.748 -9.071 -0.808 1.00 0.14 O ATOM 633 CB LEU A 40 -11.548 -6.126 -0.657 1.00 0.18 C ATOM 634 CG LEU A 40 -12.033 -6.243 0.785 1.00 0.26 C ATOM 635 CD1 LEU A 40 -13.398 -5.590 0.954 1.00 0.34 C ATOM 636 CD2 LEU A 40 -12.084 -7.693 1.200 1.00 0.40 C ATOM 0 H LEU A 40 -10.056 -5.027 -2.173 1.00 0.11 H new ATOM 0 HA LEU A 40 -9.567 -6.703 -0.015 1.00 0.13 H new ATOM 0 HB2 LEU A 40 -11.552 -5.073 -0.939 1.00 0.18 H new ATOM 0 HB3 LEU A 40 -12.264 -6.632 -1.305 1.00 0.18 H new ATOM 0 HG LEU A 40 -11.327 -5.718 1.429 1.00 0.26 H new ATOM 0 HD11 LEU A 40 -13.722 -5.687 1.990 1.00 0.34 H new ATOM 0 HD12 LEU A 40 -13.331 -4.534 0.692 1.00 0.34 H new ATOM 0 HD13 LEU A 40 -14.120 -6.081 0.301 1.00 0.34 H new ATOM 0 HD21 LEU A 40 -12.431 -7.764 2.231 1.00 0.40 H new ATOM 0 HD22 LEU A 40 -12.769 -8.234 0.548 1.00 0.40 H new ATOM 0 HD23 LEU A 40 -11.088 -8.129 1.122 1.00 0.40 H new ATOM 648 N ASP A 41 -10.912 -8.280 -2.573 1.00 0.14 N ATOM 649 CA ASP A 41 -11.069 -9.571 -3.223 1.00 0.16 C ATOM 650 C ASP A 41 -9.696 -10.191 -3.481 1.00 0.16 C ATOM 651 O ASP A 41 -9.493 -11.391 -3.299 1.00 0.19 O ATOM 652 CB ASP A 41 -11.820 -9.385 -4.545 1.00 0.21 C ATOM 653 CG ASP A 41 -12.502 -10.645 -5.037 1.00 0.87 C ATOM 654 OD1 ASP A 41 -11.799 -11.663 -5.223 1.00 1.72 O ATOM 655 OD2 ASP A 41 -13.735 -10.633 -5.233 1.00 0.93 O ATOM 0 H ASP A 41 -11.347 -7.507 -3.076 1.00 0.14 H new ATOM 0 HA ASP A 41 -11.639 -10.238 -2.577 1.00 0.16 H new ATOM 0 HB2 ASP A 41 -12.568 -8.602 -4.421 1.00 0.21 H new ATOM 0 HB3 ASP A 41 -11.120 -9.040 -5.306 1.00 0.21 H new ATOM 660 N ILE A 42 -8.746 -9.349 -3.865 1.00 0.14 N ATOM 661 CA ILE A 42 -7.399 -9.804 -4.182 1.00 0.15 C ATOM 662 C ILE A 42 -6.604 -10.168 -2.924 1.00 0.14 C ATOM 663 O ILE A 42 -5.704 -10.991 -2.983 1.00 0.17 O ATOM 664 CB ILE A 42 -6.620 -8.755 -5.005 1.00 0.16 C ATOM 665 CG1 ILE A 42 -7.348 -8.454 -6.314 1.00 0.19 C ATOM 666 CG2 ILE A 42 -5.206 -9.239 -5.289 1.00 0.18 C ATOM 667 CD1 ILE A 42 -6.757 -7.281 -7.060 1.00 0.20 C ATOM 0 H ILE A 42 -8.884 -8.343 -3.965 1.00 0.14 H new ATOM 0 HA ILE A 42 -7.517 -10.704 -4.786 1.00 0.15 H new ATOM 0 HB ILE A 42 -6.561 -7.837 -4.420 1.00 0.16 H new ATOM 0 HG12 ILE A 42 -7.317 -9.337 -6.952 1.00 0.19 H new ATOM 0 HG13 ILE A 42 -8.398 -8.251 -6.102 1.00 0.19 H new ATOM 0 HG21 ILE A 42 -4.673 -8.486 -5.870 1.00 0.18 H new ATOM 0 HG22 ILE A 42 -4.683 -9.408 -4.348 1.00 0.18 H new ATOM 0 HG23 ILE A 42 -5.247 -10.171 -5.853 1.00 0.18 H new ATOM 0 HD11 ILE A 42 -7.316 -7.116 -7.981 1.00 0.20 H new ATOM 0 HD12 ILE A 42 -6.813 -6.388 -6.437 1.00 0.20 H new ATOM 0 HD13 ILE A 42 -5.715 -7.491 -7.301 1.00 0.20 H new ATOM 679 N VAL A 43 -6.916 -9.579 -1.782 1.00 0.11 N ATOM 680 CA VAL A 43 -6.218 -9.961 -0.564 1.00 0.11 C ATOM 681 C VAL A 43 -6.698 -11.326 -0.108 1.00 0.13 C ATOM 682 O VAL A 43 -5.902 -12.172 0.286 1.00 0.15 O ATOM 683 CB VAL A 43 -6.374 -8.958 0.601 1.00 0.09 C ATOM 684 CG1 VAL A 43 -5.647 -9.488 1.832 1.00 0.17 C ATOM 685 CG2 VAL A 43 -5.843 -7.586 0.234 1.00 0.14 C ATOM 0 H VAL A 43 -7.626 -8.855 -1.671 1.00 0.11 H new ATOM 0 HA VAL A 43 -5.159 -9.975 -0.821 1.00 0.11 H new ATOM 0 HB VAL A 43 -7.437 -8.853 0.817 1.00 0.09 H new ATOM 0 HG11 VAL A 43 -5.758 -8.780 2.653 1.00 0.17 H new ATOM 0 HG12 VAL A 43 -6.074 -10.448 2.121 1.00 0.17 H new ATOM 0 HG13 VAL A 43 -4.589 -9.615 1.603 1.00 0.17 H new ATOM 0 HG21 VAL A 43 -5.970 -6.909 1.079 1.00 0.14 H new ATOM 0 HG22 VAL A 43 -4.784 -7.660 -0.015 1.00 0.14 H new ATOM 0 HG23 VAL A 43 -6.392 -7.201 -0.626 1.00 0.14 H new ATOM 695 N THR A 44 -7.993 -11.555 -0.190 1.00 0.14 N ATOM 696 CA THR A 44 -8.534 -12.839 0.210 1.00 0.19 C ATOM 697 C THR A 44 -8.300 -13.899 -0.878 1.00 0.22 C ATOM 698 O THR A 44 -8.368 -15.097 -0.606 1.00 0.28 O ATOM 699 CB THR A 44 -10.035 -12.736 0.582 1.00 0.30 C ATOM 700 OG1 THR A 44 -10.510 -13.978 1.115 1.00 0.97 O ATOM 701 CG2 THR A 44 -10.879 -12.340 -0.618 1.00 0.83 C ATOM 0 H THR A 44 -8.682 -10.881 -0.524 1.00 0.14 H new ATOM 0 HA THR A 44 -8.000 -13.155 1.106 1.00 0.19 H new ATOM 0 HB THR A 44 -10.129 -11.959 1.341 1.00 0.30 H new ATOM 0 HG1 THR A 44 -9.956 -14.712 0.777 1.00 0.97 H new ATOM 0 HG21 THR A 44 -11.926 -12.277 -0.322 1.00 0.83 H new ATOM 0 HG22 THR A 44 -10.549 -11.371 -0.991 1.00 0.83 H new ATOM 0 HG23 THR A 44 -10.769 -13.088 -1.403 1.00 0.83 H new ATOM 709 N LYS A 45 -7.995 -13.467 -2.107 1.00 0.22 N ATOM 710 CA LYS A 45 -7.715 -14.415 -3.187 1.00 0.27 C ATOM 711 C LYS A 45 -6.207 -14.655 -3.356 1.00 0.27 C ATOM 712 O LYS A 45 -5.770 -15.789 -3.560 1.00 0.30 O ATOM 713 CB LYS A 45 -8.337 -13.949 -4.516 1.00 0.28 C ATOM 714 CG LYS A 45 -7.407 -13.135 -5.399 1.00 0.32 C ATOM 715 CD LYS A 45 -7.932 -13.028 -6.822 1.00 0.33 C ATOM 716 CE LYS A 45 -9.281 -12.330 -6.881 1.00 1.22 C ATOM 717 NZ LYS A 45 -9.875 -12.396 -8.242 1.00 1.64 N ATOM 0 H LYS A 45 -7.937 -12.484 -2.374 1.00 0.22 H new ATOM 0 HA LYS A 45 -8.176 -15.362 -2.906 1.00 0.27 H new ATOM 0 HB2 LYS A 45 -8.671 -14.825 -5.073 1.00 0.28 H new ATOM 0 HB3 LYS A 45 -9.223 -13.353 -4.298 1.00 0.28 H new ATOM 0 HG2 LYS A 45 -7.288 -12.136 -4.979 1.00 0.32 H new ATOM 0 HG3 LYS A 45 -6.419 -13.596 -5.409 1.00 0.32 H new ATOM 0 HD2 LYS A 45 -7.214 -12.481 -7.433 1.00 0.33 H new ATOM 0 HD3 LYS A 45 -8.021 -14.026 -7.251 1.00 0.33 H new ATOM 0 HE2 LYS A 45 -9.961 -12.791 -6.164 1.00 1.22 H new ATOM 0 HE3 LYS A 45 -9.165 -11.287 -6.585 1.00 1.22 H new ATOM 0 HZ1 LYS A 45 -10.794 -11.910 -8.244 1.00 1.64 H new ATOM 0 HZ2 LYS A 45 -9.238 -11.934 -8.922 1.00 1.64 H new ATOM 0 HZ3 LYS A 45 -10.009 -13.391 -8.514 1.00 1.64 H new ATOM 731 N GLU A 46 -5.414 -13.589 -3.274 1.00 0.27 N ATOM 732 CA GLU A 46 -3.975 -13.688 -3.472 1.00 0.30 C ATOM 733 C GLU A 46 -3.228 -13.677 -2.156 1.00 0.29 C ATOM 734 O GLU A 46 -2.247 -14.400 -1.995 1.00 0.34 O ATOM 735 CB GLU A 46 -3.462 -12.546 -4.352 1.00 0.29 C ATOM 736 CG GLU A 46 -3.847 -12.728 -5.806 1.00 0.36 C ATOM 737 CD GLU A 46 -3.079 -11.833 -6.754 1.00 0.75 C ATOM 738 OE1 GLU A 46 -1.887 -12.110 -7.004 1.00 0.59 O ATOM 739 OE2 GLU A 46 -3.661 -10.864 -7.261 1.00 1.76 O ATOM 0 H GLU A 46 -5.747 -12.646 -3.071 1.00 0.27 H new ATOM 0 HA GLU A 46 -3.790 -14.639 -3.971 1.00 0.30 H new ATOM 0 HB2 GLU A 46 -3.863 -11.600 -3.987 1.00 0.29 H new ATOM 0 HB3 GLU A 46 -2.377 -12.485 -4.270 1.00 0.29 H new ATOM 0 HG2 GLU A 46 -3.683 -13.768 -6.089 1.00 0.36 H new ATOM 0 HG3 GLU A 46 -4.913 -12.531 -5.918 1.00 0.36 H new ATOM 746 N ARG A 47 -3.729 -12.895 -1.209 1.00 0.27 N ATOM 747 CA ARG A 47 -3.014 -12.618 0.029 1.00 0.27 C ATOM 748 C ARG A 47 -1.662 -11.995 -0.298 1.00 0.27 C ATOM 749 O ARG A 47 -0.640 -12.679 -0.348 1.00 0.35 O ATOM 750 CB ARG A 47 -2.823 -13.888 0.868 1.00 0.32 C ATOM 751 CG ARG A 47 -2.295 -13.632 2.274 1.00 0.58 C ATOM 752 CD ARG A 47 -3.384 -13.114 3.206 1.00 1.26 C ATOM 753 NE ARG A 47 -4.485 -14.069 3.341 1.00 2.00 N ATOM 754 CZ ARG A 47 -5.108 -14.342 4.490 1.00 2.89 C ATOM 755 NH1 ARG A 47 -4.718 -13.767 5.622 1.00 3.35 N ATOM 756 NH2 ARG A 47 -6.112 -15.210 4.503 1.00 3.75 N ATOM 0 H ARG A 47 -4.638 -12.437 -1.277 1.00 0.27 H new ATOM 0 HA ARG A 47 -3.609 -11.922 0.620 1.00 0.27 H new ATOM 0 HB2 ARG A 47 -3.777 -14.410 0.939 1.00 0.32 H new ATOM 0 HB3 ARG A 47 -2.134 -14.553 0.348 1.00 0.32 H new ATOM 0 HG2 ARG A 47 -1.880 -14.555 2.679 1.00 0.58 H new ATOM 0 HG3 ARG A 47 -1.481 -12.908 2.230 1.00 0.58 H new ATOM 0 HD2 ARG A 47 -2.956 -12.912 4.188 1.00 1.26 H new ATOM 0 HD3 ARG A 47 -3.768 -12.168 2.825 1.00 1.26 H new ATOM 0 HE ARG A 47 -4.797 -14.558 2.502 1.00 2.00 H new ATOM 0 HH11 ARG A 47 -3.937 -13.111 5.618 1.00 3.35 H new ATOM 0 HH12 ARG A 47 -5.200 -13.981 6.495 1.00 3.35 H new ATOM 0 HH21 ARG A 47 -6.404 -15.665 3.638 1.00 3.75 H new ATOM 0 HH22 ARG A 47 -6.591 -15.422 5.378 1.00 3.75 H new ATOM 770 N PRO A 48 -1.662 -10.697 -0.624 1.00 0.23 N ATOM 771 CA PRO A 48 -0.432 -9.944 -0.800 1.00 0.22 C ATOM 772 C PRO A 48 0.401 -9.931 0.475 1.00 0.26 C ATOM 773 O PRO A 48 0.086 -10.617 1.445 1.00 0.44 O ATOM 774 CB PRO A 48 -0.875 -8.515 -1.121 1.00 0.18 C ATOM 775 CG PRO A 48 -2.363 -8.504 -1.137 1.00 0.19 C ATOM 776 CD PRO A 48 -2.863 -9.899 -0.879 1.00 0.34 C ATOM 0 HA PRO A 48 0.184 -10.387 -1.582 1.00 0.22 H new ATOM 0 HB2 PRO A 48 -0.494 -7.818 -0.375 1.00 0.18 H new ATOM 0 HB3 PRO A 48 -0.478 -8.198 -2.085 1.00 0.18 H new ATOM 0 HG2 PRO A 48 -2.743 -7.821 -0.378 1.00 0.19 H new ATOM 0 HG3 PRO A 48 -2.727 -8.145 -2.100 1.00 0.19 H new ATOM 0 HD2 PRO A 48 -3.540 -9.923 -0.025 1.00 0.34 H new ATOM 0 HD3 PRO A 48 -3.417 -10.283 -1.736 1.00 0.34 H new ATOM 784 N ASP A 49 1.450 -9.140 0.486 1.00 0.25 N ATOM 785 CA ASP A 49 2.205 -8.961 1.706 1.00 0.30 C ATOM 786 C ASP A 49 1.872 -7.599 2.274 1.00 0.27 C ATOM 787 O ASP A 49 1.750 -7.436 3.476 1.00 0.47 O ATOM 788 CB ASP A 49 3.708 -9.085 1.459 1.00 0.41 C ATOM 789 CG ASP A 49 4.447 -9.671 2.651 1.00 0.80 C ATOM 790 OD1 ASP A 49 4.288 -9.134 3.765 1.00 1.10 O ATOM 791 OD2 ASP A 49 5.199 -10.654 2.487 1.00 1.43 O ATOM 0 H ASP A 49 1.796 -8.619 -0.320 1.00 0.25 H new ATOM 0 HA ASP A 49 1.934 -9.743 2.415 1.00 0.30 H new ATOM 0 HB2 ASP A 49 3.879 -9.713 0.585 1.00 0.41 H new ATOM 0 HB3 ASP A 49 4.118 -8.101 1.229 1.00 0.41 H new ATOM 796 N LEU A 50 1.663 -6.636 1.379 1.00 0.17 N ATOM 797 CA LEU A 50 1.372 -5.264 1.773 1.00 0.17 C ATOM 798 C LEU A 50 0.323 -4.653 0.831 1.00 0.14 C ATOM 799 O LEU A 50 0.245 -5.006 -0.348 1.00 0.15 O ATOM 800 CB LEU A 50 2.683 -4.447 1.830 1.00 0.24 C ATOM 801 CG LEU A 50 2.554 -2.925 1.963 1.00 0.19 C ATOM 802 CD1 LEU A 50 3.790 -2.361 2.643 1.00 0.38 C ATOM 803 CD2 LEU A 50 2.382 -2.271 0.602 1.00 0.45 C ATOM 0 H LEU A 50 1.691 -6.785 0.370 1.00 0.17 H new ATOM 0 HA LEU A 50 0.940 -5.246 2.774 1.00 0.17 H new ATOM 0 HB2 LEU A 50 3.272 -4.811 2.672 1.00 0.24 H new ATOM 0 HB3 LEU A 50 3.254 -4.660 0.926 1.00 0.24 H new ATOM 0 HG LEU A 50 1.671 -2.710 2.565 1.00 0.19 H new ATOM 0 HD11 LEU A 50 3.693 -1.279 2.735 1.00 0.38 H new ATOM 0 HD12 LEU A 50 3.893 -2.802 3.635 1.00 0.38 H new ATOM 0 HD13 LEU A 50 4.672 -2.597 2.048 1.00 0.38 H new ATOM 0 HD21 LEU A 50 2.293 -1.192 0.726 1.00 0.45 H new ATOM 0 HD22 LEU A 50 3.248 -2.495 -0.021 1.00 0.45 H new ATOM 0 HD23 LEU A 50 1.482 -2.657 0.124 1.00 0.45 H new ATOM 815 N VAL A 51 -0.499 -3.760 1.365 1.00 0.14 N ATOM 816 CA VAL A 51 -1.618 -3.178 0.625 1.00 0.14 C ATOM 817 C VAL A 51 -1.603 -1.652 0.765 1.00 0.17 C ATOM 818 O VAL A 51 -1.175 -1.135 1.784 1.00 0.39 O ATOM 819 CB VAL A 51 -2.961 -3.713 1.177 1.00 0.14 C ATOM 820 CG1 VAL A 51 -4.148 -3.100 0.449 1.00 0.97 C ATOM 821 CG2 VAL A 51 -3.014 -5.232 1.095 1.00 0.94 C ATOM 0 H VAL A 51 -0.412 -3.417 2.322 1.00 0.14 H new ATOM 0 HA VAL A 51 -1.516 -3.455 -0.424 1.00 0.14 H new ATOM 0 HB VAL A 51 -3.023 -3.419 2.225 1.00 0.14 H new ATOM 0 HG11 VAL A 51 -5.074 -3.499 0.863 1.00 0.97 H new ATOM 0 HG12 VAL A 51 -4.131 -2.017 0.573 1.00 0.97 H new ATOM 0 HG13 VAL A 51 -4.090 -3.344 -0.612 1.00 0.97 H new ATOM 0 HG21 VAL A 51 -3.967 -5.585 1.489 1.00 0.94 H new ATOM 0 HG22 VAL A 51 -2.913 -5.544 0.056 1.00 0.94 H new ATOM 0 HG23 VAL A 51 -2.200 -5.657 1.682 1.00 0.94 H new ATOM 831 N LEU A 52 -2.050 -0.942 -0.260 1.00 0.14 N ATOM 832 CA LEU A 52 -2.260 0.498 -0.175 1.00 0.13 C ATOM 833 C LEU A 52 -3.676 0.856 -0.611 1.00 0.14 C ATOM 834 O LEU A 52 -4.155 0.407 -1.653 1.00 0.18 O ATOM 835 CB LEU A 52 -1.257 1.288 -1.021 1.00 0.15 C ATOM 836 CG LEU A 52 -0.036 1.823 -0.266 1.00 0.17 C ATOM 837 CD1 LEU A 52 1.047 0.763 -0.176 1.00 0.20 C ATOM 838 CD2 LEU A 52 0.491 3.083 -0.940 1.00 0.25 C ATOM 0 H LEU A 52 -2.277 -1.344 -1.170 1.00 0.14 H new ATOM 0 HA LEU A 52 -2.109 0.774 0.869 1.00 0.13 H new ATOM 0 HB2 LEU A 52 -0.909 0.649 -1.833 1.00 0.15 H new ATOM 0 HB3 LEU A 52 -1.777 2.130 -1.479 1.00 0.15 H new ATOM 0 HG LEU A 52 -0.340 2.078 0.749 1.00 0.17 H new ATOM 0 HD11 LEU A 52 1.905 1.164 0.364 1.00 0.20 H new ATOM 0 HD12 LEU A 52 0.660 -0.108 0.353 1.00 0.20 H new ATOM 0 HD13 LEU A 52 1.355 0.471 -1.180 1.00 0.20 H new ATOM 0 HD21 LEU A 52 1.359 3.452 -0.393 1.00 0.25 H new ATOM 0 HD22 LEU A 52 0.779 2.853 -1.966 1.00 0.25 H new ATOM 0 HD23 LEU A 52 -0.287 3.846 -0.944 1.00 0.25 H new ATOM 850 N LEU A 53 -4.333 1.672 0.198 1.00 0.16 N ATOM 851 CA LEU A 53 -5.703 2.091 -0.060 1.00 0.17 C ATOM 852 C LEU A 53 -5.771 3.609 -0.120 1.00 0.19 C ATOM 853 O LEU A 53 -5.652 4.268 0.907 1.00 0.36 O ATOM 854 CB LEU A 53 -6.622 1.628 1.079 1.00 0.21 C ATOM 855 CG LEU A 53 -6.542 0.149 1.459 1.00 0.25 C ATOM 856 CD1 LEU A 53 -7.336 -0.101 2.724 1.00 0.42 C ATOM 857 CD2 LEU A 53 -7.053 -0.731 0.331 1.00 0.53 C ATOM 0 H LEU A 53 -3.933 2.062 1.051 1.00 0.16 H new ATOM 0 HA LEU A 53 -6.023 1.652 -1.005 1.00 0.17 H new ATOM 0 HB2 LEU A 53 -6.394 2.221 1.965 1.00 0.21 H new ATOM 0 HB3 LEU A 53 -7.651 1.854 0.801 1.00 0.21 H new ATOM 0 HG LEU A 53 -5.497 -0.106 1.637 1.00 0.25 H new ATOM 0 HD11 LEU A 53 -7.275 -1.156 2.989 1.00 0.42 H new ATOM 0 HD12 LEU A 53 -6.927 0.501 3.535 1.00 0.42 H new ATOM 0 HD13 LEU A 53 -8.378 0.172 2.559 1.00 0.42 H new ATOM 0 HD21 LEU A 53 -6.985 -1.778 0.627 1.00 0.53 H new ATOM 0 HD22 LEU A 53 -8.092 -0.481 0.117 1.00 0.53 H new ATOM 0 HD23 LEU A 53 -6.449 -0.566 -0.561 1.00 0.53 H new ATOM 869 N ASP A 54 -5.949 4.177 -1.293 1.00 0.23 N ATOM 870 CA ASP A 54 -6.090 5.622 -1.378 1.00 0.23 C ATOM 871 C ASP A 54 -7.531 6.012 -1.079 1.00 0.24 C ATOM 872 O ASP A 54 -8.396 5.876 -1.926 1.00 0.29 O ATOM 873 CB ASP A 54 -5.695 6.131 -2.767 1.00 0.29 C ATOM 874 CG ASP A 54 -5.599 7.644 -2.829 1.00 0.31 C ATOM 875 OD1 ASP A 54 -5.314 8.264 -1.787 1.00 0.33 O ATOM 876 OD2 ASP A 54 -5.811 8.214 -3.924 1.00 0.35 O ATOM 0 H ASP A 54 -5.999 3.680 -2.182 1.00 0.23 H new ATOM 0 HA ASP A 54 -5.425 6.077 -0.644 1.00 0.23 H new ATOM 0 HB2 ASP A 54 -4.735 5.698 -3.049 1.00 0.29 H new ATOM 0 HB3 ASP A 54 -6.427 5.787 -3.498 1.00 0.29 H new ATOM 881 N MET A 55 -7.798 6.520 0.116 1.00 0.22 N ATOM 882 CA MET A 55 -9.156 6.952 0.447 1.00 0.25 C ATOM 883 C MET A 55 -9.421 8.291 -0.224 1.00 0.26 C ATOM 884 O MET A 55 -10.501 8.875 -0.120 1.00 0.29 O ATOM 885 CB MET A 55 -9.375 7.027 1.969 1.00 0.26 C ATOM 886 CG MET A 55 -8.476 8.008 2.717 1.00 0.25 C ATOM 887 SD MET A 55 -8.968 9.740 2.527 1.00 0.68 S ATOM 888 CE MET A 55 -10.663 9.680 3.111 1.00 0.38 C ATOM 0 H MET A 55 -7.112 6.643 0.861 1.00 0.22 H new ATOM 0 HA MET A 55 -9.867 6.215 0.074 1.00 0.25 H new ATOM 0 HB2 MET A 55 -10.414 7.299 2.156 1.00 0.26 H new ATOM 0 HB3 MET A 55 -9.226 6.032 2.389 1.00 0.26 H new ATOM 0 HG2 MET A 55 -8.479 7.753 3.777 1.00 0.25 H new ATOM 0 HG3 MET A 55 -7.452 7.890 2.363 1.00 0.25 H new ATOM 0 HE1 MET A 55 -10.952 10.660 3.491 1.00 0.38 H new ATOM 0 HE2 MET A 55 -11.322 9.402 2.288 1.00 0.38 H new ATOM 0 HE3 MET A 55 -10.747 8.942 3.909 1.00 0.38 H new ATOM 898 N LYS A 56 -8.405 8.745 -0.935 1.00 0.26 N ATOM 899 CA LYS A 56 -8.450 9.967 -1.691 1.00 0.31 C ATOM 900 C LYS A 56 -8.760 9.627 -3.146 1.00 0.35 C ATOM 901 O LYS A 56 -8.922 10.504 -3.999 1.00 0.41 O ATOM 902 CB LYS A 56 -7.097 10.668 -1.534 1.00 0.35 C ATOM 903 CG LYS A 56 -6.975 12.022 -2.201 1.00 0.45 C ATOM 904 CD LYS A 56 -8.287 12.804 -2.219 1.00 0.49 C ATOM 905 CE LYS A 56 -8.918 12.922 -0.836 1.00 0.38 C ATOM 906 NZ LYS A 56 -10.147 13.760 -0.854 1.00 0.44 N ATOM 0 H LYS A 56 -7.511 8.259 -0.999 1.00 0.26 H new ATOM 0 HA LYS A 56 -9.229 10.641 -1.335 1.00 0.31 H new ATOM 0 HB2 LYS A 56 -6.893 10.788 -0.470 1.00 0.35 H new ATOM 0 HB3 LYS A 56 -6.322 10.015 -1.935 1.00 0.35 H new ATOM 0 HG2 LYS A 56 -6.217 12.609 -1.682 1.00 0.45 H new ATOM 0 HG3 LYS A 56 -6.627 11.885 -3.225 1.00 0.45 H new ATOM 0 HD2 LYS A 56 -8.105 13.802 -2.618 1.00 0.49 H new ATOM 0 HD3 LYS A 56 -8.989 12.314 -2.894 1.00 0.49 H new ATOM 0 HE2 LYS A 56 -9.163 11.927 -0.463 1.00 0.38 H new ATOM 0 HE3 LYS A 56 -8.195 13.353 -0.143 1.00 0.38 H new ATOM 0 HZ1 LYS A 56 -10.458 13.941 0.122 1.00 0.44 H new ATOM 0 HZ2 LYS A 56 -9.944 14.664 -1.326 1.00 0.44 H new ATOM 0 HZ3 LYS A 56 -10.900 13.261 -1.370 1.00 0.44 H new ATOM 920 N ILE A 57 -8.886 8.334 -3.403 1.00 0.36 N ATOM 921 CA ILE A 57 -9.098 7.830 -4.740 1.00 0.43 C ATOM 922 C ILE A 57 -10.498 8.178 -5.251 1.00 0.38 C ATOM 923 O ILE A 57 -11.458 8.246 -4.475 1.00 0.45 O ATOM 924 CB ILE A 57 -8.879 6.297 -4.788 1.00 0.57 C ATOM 925 CG1 ILE A 57 -8.259 5.905 -6.118 1.00 0.93 C ATOM 926 CG2 ILE A 57 -10.176 5.527 -4.557 1.00 0.71 C ATOM 927 CD1 ILE A 57 -6.904 6.532 -6.344 1.00 1.79 C ATOM 0 H ILE A 57 -8.843 7.609 -2.687 1.00 0.36 H new ATOM 0 HA ILE A 57 -8.369 8.311 -5.392 1.00 0.43 H new ATOM 0 HB ILE A 57 -8.198 6.032 -3.979 1.00 0.57 H new ATOM 0 HG12 ILE A 57 -8.163 4.820 -6.162 1.00 0.93 H new ATOM 0 HG13 ILE A 57 -8.929 6.199 -6.926 1.00 0.93 H new ATOM 0 HG21 ILE A 57 -9.976 4.456 -4.599 1.00 0.71 H new ATOM 0 HG22 ILE A 57 -10.581 5.782 -3.578 1.00 0.71 H new ATOM 0 HG23 ILE A 57 -10.899 5.792 -5.329 1.00 0.71 H new ATOM 0 HD11 ILE A 57 -6.513 6.214 -7.310 1.00 1.79 H new ATOM 0 HD12 ILE A 57 -6.999 7.618 -6.330 1.00 1.79 H new ATOM 0 HD13 ILE A 57 -6.221 6.217 -5.555 1.00 1.79 H new ATOM 939 N PRO A 58 -10.605 8.491 -6.549 1.00 0.34 N ATOM 940 CA PRO A 58 -11.881 8.572 -7.254 1.00 0.31 C ATOM 941 C PRO A 58 -12.769 7.361 -6.975 1.00 0.41 C ATOM 942 O PRO A 58 -12.477 6.251 -7.412 1.00 1.18 O ATOM 943 CB PRO A 58 -11.474 8.600 -8.737 1.00 0.46 C ATOM 944 CG PRO A 58 -9.990 8.442 -8.771 1.00 0.70 C ATOM 945 CD PRO A 58 -9.493 8.856 -7.425 1.00 0.41 C ATOM 0 HA PRO A 58 -12.463 9.439 -6.942 1.00 0.31 H new ATOM 0 HB2 PRO A 58 -11.963 7.797 -9.289 1.00 0.46 H new ATOM 0 HB3 PRO A 58 -11.775 9.537 -9.205 1.00 0.46 H new ATOM 0 HG2 PRO A 58 -9.714 7.410 -8.987 1.00 0.70 H new ATOM 0 HG3 PRO A 58 -9.551 9.060 -9.554 1.00 0.70 H new ATOM 0 HD2 PRO A 58 -8.575 8.335 -7.154 1.00 0.41 H new ATOM 0 HD3 PRO A 58 -9.277 9.924 -7.383 1.00 0.41 H new ATOM 953 N GLY A 59 -13.841 7.573 -6.232 1.00 0.86 N ATOM 954 CA GLY A 59 -14.750 6.489 -5.929 1.00 0.93 C ATOM 955 C GLY A 59 -15.038 6.382 -4.451 1.00 0.80 C ATOM 956 O GLY A 59 -15.677 7.266 -3.875 1.00 1.71 O ATOM 0 H GLY A 59 -14.099 8.476 -5.833 1.00 0.86 H new ATOM 0 HA2 GLY A 59 -15.685 6.639 -6.470 1.00 0.93 H new ATOM 0 HA3 GLY A 59 -14.324 5.550 -6.283 1.00 0.93 H new ATOM 960 N MET A 60 -14.556 5.315 -3.832 1.00 0.77 N ATOM 961 CA MET A 60 -14.810 5.065 -2.420 1.00 0.49 C ATOM 962 C MET A 60 -13.509 4.764 -1.696 1.00 0.60 C ATOM 963 O MET A 60 -12.481 4.515 -2.329 1.00 1.30 O ATOM 964 CB MET A 60 -15.758 3.874 -2.245 1.00 0.65 C ATOM 965 CG MET A 60 -17.075 4.008 -2.991 1.00 0.83 C ATOM 966 SD MET A 60 -18.066 5.403 -2.429 1.00 1.92 S ATOM 967 CE MET A 60 -19.498 5.236 -3.490 1.00 2.52 C ATOM 0 H MET A 60 -13.984 4.604 -4.288 1.00 0.77 H new ATOM 0 HA MET A 60 -15.269 5.959 -1.999 1.00 0.49 H new ATOM 0 HB2 MET A 60 -15.253 2.970 -2.584 1.00 0.65 H new ATOM 0 HB3 MET A 60 -15.967 3.744 -1.183 1.00 0.65 H new ATOM 0 HG2 MET A 60 -16.873 4.119 -4.056 1.00 0.83 H new ATOM 0 HG3 MET A 60 -17.649 3.090 -2.870 1.00 0.83 H new ATOM 0 HE1 MET A 60 -20.211 6.029 -3.266 1.00 2.52 H new ATOM 0 HE2 MET A 60 -19.189 5.309 -4.533 1.00 2.52 H new ATOM 0 HE3 MET A 60 -19.967 4.267 -3.318 1.00 2.52 H new ATOM 977 N ASP A 61 -13.557 4.782 -0.371 1.00 0.36 N ATOM 978 CA ASP A 61 -12.414 4.375 0.434 1.00 0.35 C ATOM 979 C ASP A 61 -12.386 2.864 0.575 1.00 0.47 C ATOM 980 O ASP A 61 -13.422 2.198 0.521 1.00 1.11 O ATOM 981 CB ASP A 61 -12.445 5.004 1.837 1.00 0.42 C ATOM 982 CG ASP A 61 -13.752 4.765 2.568 1.00 0.68 C ATOM 983 OD1 ASP A 61 -13.929 3.660 3.127 1.00 1.07 O ATOM 984 OD2 ASP A 61 -14.606 5.676 2.584 1.00 0.99 O ATOM 0 H ASP A 61 -14.373 5.073 0.168 1.00 0.36 H new ATOM 0 HA ASP A 61 -11.519 4.724 -0.081 1.00 0.35 H new ATOM 0 HB2 ASP A 61 -11.625 4.597 2.429 1.00 0.42 H new ATOM 0 HB3 ASP A 61 -12.275 6.077 1.751 1.00 0.42 H new ATOM 989 N GLY A 62 -11.194 2.327 0.747 1.00 0.36 N ATOM 990 CA GLY A 62 -11.056 0.926 1.049 1.00 0.32 C ATOM 991 C GLY A 62 -10.931 0.710 2.544 1.00 0.29 C ATOM 992 O GLY A 62 -10.288 -0.234 2.990 1.00 0.31 O ATOM 0 H GLY A 62 -10.315 2.840 0.682 1.00 0.36 H new ATOM 0 HA2 GLY A 62 -11.919 0.380 0.669 1.00 0.32 H new ATOM 0 HA3 GLY A 62 -10.177 0.525 0.544 1.00 0.32 H new ATOM 996 N ILE A 63 -11.556 1.586 3.326 1.00 0.28 N ATOM 997 CA ILE A 63 -11.404 1.553 4.778 1.00 0.29 C ATOM 998 C ILE A 63 -12.035 0.283 5.350 1.00 0.29 C ATOM 999 O ILE A 63 -11.363 -0.522 5.997 1.00 0.31 O ATOM 1000 CB ILE A 63 -12.031 2.791 5.466 1.00 0.30 C ATOM 1001 CG1 ILE A 63 -11.263 4.093 5.150 1.00 0.34 C ATOM 1002 CG2 ILE A 63 -12.096 2.579 6.973 1.00 0.41 C ATOM 1003 CD1 ILE A 63 -10.104 3.951 4.184 1.00 0.52 C ATOM 0 H ILE A 63 -12.170 2.324 2.981 1.00 0.28 H new ATOM 0 HA ILE A 63 -10.333 1.563 4.983 1.00 0.29 H new ATOM 0 HB ILE A 63 -13.039 2.903 5.067 1.00 0.30 H new ATOM 0 HG12 ILE A 63 -11.966 4.819 4.742 1.00 0.34 H new ATOM 0 HG13 ILE A 63 -10.885 4.507 6.085 1.00 0.34 H new ATOM 0 HG21 ILE A 63 -12.539 3.456 7.445 1.00 0.41 H new ATOM 0 HG22 ILE A 63 -12.706 1.703 7.191 1.00 0.41 H new ATOM 0 HG23 ILE A 63 -11.090 2.426 7.363 1.00 0.41 H new ATOM 0 HD11 ILE A 63 -9.635 4.923 4.032 1.00 0.52 H new ATOM 0 HD12 ILE A 63 -9.372 3.255 4.594 1.00 0.52 H new ATOM 0 HD13 ILE A 63 -10.470 3.572 3.230 1.00 0.52 H new ATOM 1015 N GLU A 64 -13.331 0.107 5.089 1.00 0.31 N ATOM 1016 CA GLU A 64 -14.043 -1.121 5.451 1.00 0.35 C ATOM 1017 C GLU A 64 -13.406 -2.314 4.751 1.00 0.29 C ATOM 1018 O GLU A 64 -13.573 -3.456 5.158 1.00 0.28 O ATOM 1019 CB GLU A 64 -15.513 -1.012 5.048 1.00 0.46 C ATOM 1020 CG GLU A 64 -16.286 0.027 5.840 1.00 0.73 C ATOM 1021 CD GLU A 64 -16.574 -0.422 7.256 1.00 1.14 C ATOM 1022 OE1 GLU A 64 -15.671 -0.313 8.113 1.00 1.69 O ATOM 1023 OE2 GLU A 64 -17.701 -0.874 7.525 1.00 1.63 O ATOM 0 H GLU A 64 -13.913 0.804 4.625 1.00 0.31 H new ATOM 0 HA GLU A 64 -13.979 -1.261 6.530 1.00 0.35 H new ATOM 0 HB2 GLU A 64 -15.573 -0.767 3.988 1.00 0.46 H new ATOM 0 HB3 GLU A 64 -15.989 -1.984 5.178 1.00 0.46 H new ATOM 0 HG2 GLU A 64 -15.718 0.957 5.865 1.00 0.73 H new ATOM 0 HG3 GLU A 64 -17.226 0.242 5.332 1.00 0.73 H new ATOM 1030 N ILE A 65 -12.661 -2.027 3.700 1.00 0.26 N ATOM 1031 CA ILE A 65 -11.964 -3.049 2.941 1.00 0.24 C ATOM 1032 C ILE A 65 -10.827 -3.631 3.784 1.00 0.24 C ATOM 1033 O ILE A 65 -10.748 -4.841 3.976 1.00 0.24 O ATOM 1034 CB ILE A 65 -11.403 -2.468 1.611 1.00 0.23 C ATOM 1035 CG1 ILE A 65 -12.500 -2.287 0.546 1.00 0.38 C ATOM 1036 CG2 ILE A 65 -10.276 -3.334 1.066 1.00 0.26 C ATOM 1037 CD1 ILE A 65 -13.799 -1.698 1.048 1.00 0.50 C ATOM 0 H ILE A 65 -12.522 -1.080 3.348 1.00 0.26 H new ATOM 0 HA ILE A 65 -12.671 -3.840 2.692 1.00 0.24 H new ATOM 0 HB ILE A 65 -11.005 -1.481 1.844 1.00 0.23 H new ATOM 0 HG12 ILE A 65 -12.112 -1.646 -0.246 1.00 0.38 H new ATOM 0 HG13 ILE A 65 -12.710 -3.257 0.096 1.00 0.38 H new ATOM 0 HG21 ILE A 65 -9.904 -2.904 0.136 1.00 0.26 H new ATOM 0 HG22 ILE A 65 -9.467 -3.379 1.795 1.00 0.26 H new ATOM 0 HG23 ILE A 65 -10.650 -4.340 0.876 1.00 0.26 H new ATOM 0 HD11 ILE A 65 -14.503 -1.612 0.221 1.00 0.50 H new ATOM 0 HD12 ILE A 65 -14.219 -2.346 1.817 1.00 0.50 H new ATOM 0 HD13 ILE A 65 -13.612 -0.710 1.469 1.00 0.50 H new ATOM 1049 N ALA A 66 -9.964 -2.757 4.302 1.00 0.25 N ATOM 1050 CA ALA A 66 -8.896 -3.175 5.205 1.00 0.26 C ATOM 1051 C ALA A 66 -9.491 -3.694 6.504 1.00 0.24 C ATOM 1052 O ALA A 66 -8.905 -4.521 7.178 1.00 0.26 O ATOM 1053 CB ALA A 66 -7.949 -2.021 5.487 1.00 0.28 C ATOM 0 H ALA A 66 -9.985 -1.755 4.111 1.00 0.25 H new ATOM 0 HA ALA A 66 -8.329 -3.974 4.727 1.00 0.26 H new ATOM 0 HB1 ALA A 66 -7.161 -2.354 6.162 1.00 0.28 H new ATOM 0 HB2 ALA A 66 -7.506 -1.678 4.552 1.00 0.28 H new ATOM 0 HB3 ALA A 66 -8.501 -1.202 5.949 1.00 0.28 H new ATOM 1059 N LYS A 67 -10.657 -3.178 6.841 1.00 0.23 N ATOM 1060 CA LYS A 67 -11.453 -3.679 7.951 1.00 0.23 C ATOM 1061 C LYS A 67 -11.747 -5.172 7.778 1.00 0.24 C ATOM 1062 O LYS A 67 -11.538 -5.975 8.684 1.00 0.29 O ATOM 1063 CB LYS A 67 -12.733 -2.842 8.010 1.00 0.26 C ATOM 1064 CG LYS A 67 -13.979 -3.545 8.504 1.00 0.38 C ATOM 1065 CD LYS A 67 -14.026 -3.610 10.023 1.00 0.41 C ATOM 1066 CE LYS A 67 -14.583 -2.326 10.625 1.00 0.72 C ATOM 1067 NZ LYS A 67 -15.954 -2.015 10.141 1.00 1.05 N ATOM 0 H LYS A 67 -11.084 -2.393 6.350 1.00 0.23 H new ATOM 0 HA LYS A 67 -10.912 -3.585 8.893 1.00 0.23 H new ATOM 0 HB2 LYS A 67 -12.549 -1.982 8.654 1.00 0.26 H new ATOM 0 HB3 LYS A 67 -12.933 -2.455 7.011 1.00 0.26 H new ATOM 0 HG2 LYS A 67 -14.862 -3.023 8.135 1.00 0.38 H new ATOM 0 HG3 LYS A 67 -14.013 -4.555 8.096 1.00 0.38 H new ATOM 0 HD2 LYS A 67 -14.642 -4.454 10.332 1.00 0.41 H new ATOM 0 HD3 LYS A 67 -13.023 -3.789 10.411 1.00 0.41 H new ATOM 0 HE2 LYS A 67 -14.597 -2.415 11.711 1.00 0.72 H new ATOM 0 HE3 LYS A 67 -13.919 -1.497 10.381 1.00 0.72 H new ATOM 0 HZ1 LYS A 67 -15.911 -1.237 9.452 1.00 1.05 H new ATOM 0 HZ2 LYS A 67 -16.361 -2.857 9.687 1.00 1.05 H new ATOM 0 HZ3 LYS A 67 -16.550 -1.733 10.945 1.00 1.05 H new ATOM 1081 N ARG A 68 -12.183 -5.541 6.594 1.00 0.22 N ATOM 1082 CA ARG A 68 -12.501 -6.924 6.287 1.00 0.23 C ATOM 1083 C ARG A 68 -11.231 -7.714 6.055 1.00 0.24 C ATOM 1084 O ARG A 68 -11.160 -8.908 6.335 1.00 0.29 O ATOM 1085 CB ARG A 68 -13.406 -6.962 5.065 1.00 0.25 C ATOM 1086 CG ARG A 68 -14.698 -6.232 5.338 1.00 0.28 C ATOM 1087 CD ARG A 68 -15.339 -5.664 4.084 1.00 0.30 C ATOM 1088 NE ARG A 68 -16.552 -4.923 4.434 1.00 0.84 N ATOM 1089 CZ ARG A 68 -17.096 -3.960 3.696 1.00 0.93 C ATOM 1090 NH1 ARG A 68 -16.584 -3.644 2.512 1.00 0.68 N ATOM 1091 NH2 ARG A 68 -18.158 -3.308 4.156 1.00 1.58 N ATOM 0 H ARG A 68 -12.328 -4.896 5.817 1.00 0.22 H new ATOM 0 HA ARG A 68 -13.023 -7.381 7.127 1.00 0.23 H new ATOM 0 HB2 ARG A 68 -12.898 -6.507 4.215 1.00 0.25 H new ATOM 0 HB3 ARG A 68 -13.617 -7.996 4.794 1.00 0.25 H new ATOM 0 HG2 ARG A 68 -15.399 -6.914 5.820 1.00 0.28 H new ATOM 0 HG3 ARG A 68 -14.508 -5.421 6.041 1.00 0.28 H new ATOM 0 HD2 ARG A 68 -14.636 -5.007 3.572 1.00 0.30 H new ATOM 0 HD3 ARG A 68 -15.582 -6.471 3.393 1.00 0.30 H new ATOM 0 HE ARG A 68 -17.015 -5.164 5.310 1.00 0.84 H new ATOM 0 HH11 ARG A 68 -15.766 -4.142 2.161 1.00 0.68 H new ATOM 0 HH12 ARG A 68 -17.009 -2.904 1.954 1.00 0.68 H new ATOM 0 HH21 ARG A 68 -18.548 -3.548 5.067 1.00 1.58 H new ATOM 0 HH22 ARG A 68 -18.583 -2.568 3.598 1.00 1.58 H new ATOM 1105 N MET A 69 -10.215 -7.031 5.572 1.00 0.23 N ATOM 1106 CA MET A 69 -8.934 -7.657 5.334 1.00 0.26 C ATOM 1107 C MET A 69 -8.106 -7.714 6.620 1.00 0.18 C ATOM 1108 O MET A 69 -7.095 -8.405 6.680 1.00 0.19 O ATOM 1109 CB MET A 69 -8.195 -6.940 4.199 1.00 0.42 C ATOM 1110 CG MET A 69 -8.784 -7.212 2.807 1.00 0.60 C ATOM 1111 SD MET A 69 -8.884 -8.974 2.393 1.00 2.21 S ATOM 1112 CE MET A 69 -10.375 -9.507 3.234 1.00 3.06 C ATOM 0 H MET A 69 -10.253 -6.039 5.336 1.00 0.23 H new ATOM 0 HA MET A 69 -9.097 -8.688 5.019 1.00 0.26 H new ATOM 0 HB2 MET A 69 -8.213 -5.867 4.387 1.00 0.42 H new ATOM 0 HB3 MET A 69 -7.149 -7.248 4.207 1.00 0.42 H new ATOM 0 HG2 MET A 69 -9.782 -6.777 2.753 1.00 0.60 H new ATOM 0 HG3 MET A 69 -8.175 -6.705 2.059 1.00 0.60 H new ATOM 0 HE1 MET A 69 -10.108 -10.021 4.158 1.00 3.06 H new ATOM 0 HE2 MET A 69 -10.992 -8.639 3.467 1.00 3.06 H new ATOM 0 HE3 MET A 69 -10.933 -10.186 2.590 1.00 3.06 H new ATOM 1122 N LYS A 70 -8.537 -6.998 7.656 1.00 0.19 N ATOM 1123 CA LYS A 70 -7.987 -7.214 8.986 1.00 0.20 C ATOM 1124 C LYS A 70 -8.815 -8.287 9.670 1.00 0.19 C ATOM 1125 O LYS A 70 -8.375 -8.933 10.615 1.00 0.23 O ATOM 1126 CB LYS A 70 -7.951 -5.947 9.853 1.00 0.27 C ATOM 1127 CG LYS A 70 -9.258 -5.649 10.561 1.00 0.34 C ATOM 1128 CD LYS A 70 -9.038 -5.125 11.972 1.00 0.40 C ATOM 1129 CE LYS A 70 -8.524 -6.217 12.895 1.00 0.47 C ATOM 1130 NZ LYS A 70 -8.421 -5.755 14.302 1.00 0.75 N ATOM 0 H LYS A 70 -9.254 -6.275 7.600 1.00 0.19 H new ATOM 0 HA LYS A 70 -6.948 -7.522 8.869 1.00 0.20 H new ATOM 0 HB2 LYS A 70 -7.161 -6.050 10.597 1.00 0.27 H new ATOM 0 HB3 LYS A 70 -7.687 -5.096 9.225 1.00 0.27 H new ATOM 0 HG2 LYS A 70 -9.822 -4.915 9.986 1.00 0.34 H new ATOM 0 HG3 LYS A 70 -9.863 -6.555 10.601 1.00 0.34 H new ATOM 0 HD2 LYS A 70 -8.325 -4.301 11.949 1.00 0.40 H new ATOM 0 HD3 LYS A 70 -9.974 -4.726 12.364 1.00 0.40 H new ATOM 0 HE2 LYS A 70 -9.191 -7.078 12.844 1.00 0.47 H new ATOM 0 HE3 LYS A 70 -7.545 -6.551 12.551 1.00 0.47 H new ATOM 0 HZ1 LYS A 70 -8.067 -6.531 14.897 1.00 0.75 H new ATOM 0 HZ2 LYS A 70 -7.765 -4.950 14.356 1.00 0.75 H new ATOM 0 HZ3 LYS A 70 -9.359 -5.460 14.640 1.00 0.75 H new ATOM 1144 N VAL A 71 -10.030 -8.464 9.197 1.00 0.19 N ATOM 1145 CA VAL A 71 -10.809 -9.619 9.585 1.00 0.23 C ATOM 1146 C VAL A 71 -10.207 -10.875 8.947 1.00 0.27 C ATOM 1147 O VAL A 71 -10.281 -11.970 9.503 1.00 0.32 O ATOM 1148 CB VAL A 71 -12.300 -9.445 9.194 1.00 0.25 C ATOM 1149 CG1 VAL A 71 -13.059 -10.762 9.275 1.00 0.32 C ATOM 1150 CG2 VAL A 71 -12.958 -8.408 10.089 1.00 0.25 C ATOM 0 H VAL A 71 -10.496 -7.829 8.549 1.00 0.19 H new ATOM 0 HA VAL A 71 -10.775 -9.724 10.669 1.00 0.23 H new ATOM 0 HB VAL A 71 -12.334 -9.104 8.159 1.00 0.25 H new ATOM 0 HG11 VAL A 71 -14.100 -10.600 8.994 1.00 0.32 H new ATOM 0 HG12 VAL A 71 -12.608 -11.484 8.595 1.00 0.32 H new ATOM 0 HG13 VAL A 71 -13.014 -11.146 10.294 1.00 0.32 H new ATOM 0 HG21 VAL A 71 -14.004 -8.294 9.806 1.00 0.25 H new ATOM 0 HG22 VAL A 71 -12.897 -8.732 11.128 1.00 0.25 H new ATOM 0 HG23 VAL A 71 -12.446 -7.453 9.977 1.00 0.25 H new ATOM 1160 N ILE A 72 -9.571 -10.695 7.794 1.00 0.25 N ATOM 1161 CA ILE A 72 -8.959 -11.807 7.073 1.00 0.30 C ATOM 1162 C ILE A 72 -7.482 -12.019 7.464 1.00 0.29 C ATOM 1163 O ILE A 72 -7.007 -13.153 7.505 1.00 0.40 O ATOM 1164 CB ILE A 72 -9.093 -11.601 5.535 1.00 0.34 C ATOM 1165 CG1 ILE A 72 -9.551 -12.894 4.855 1.00 0.59 C ATOM 1166 CG2 ILE A 72 -7.790 -11.117 4.910 1.00 0.33 C ATOM 1167 CD1 ILE A 72 -10.844 -13.444 5.416 1.00 1.11 C ATOM 0 H ILE A 72 -9.466 -9.789 7.338 1.00 0.25 H new ATOM 0 HA ILE A 72 -9.499 -12.710 7.359 1.00 0.30 H new ATOM 0 HB ILE A 72 -9.846 -10.828 5.379 1.00 0.34 H new ATOM 0 HG12 ILE A 72 -9.676 -12.710 3.788 1.00 0.59 H new ATOM 0 HG13 ILE A 72 -8.769 -13.647 4.959 1.00 0.59 H new ATOM 0 HG21 ILE A 72 -7.928 -10.986 3.837 1.00 0.33 H new ATOM 0 HG22 ILE A 72 -7.503 -10.165 5.358 1.00 0.33 H new ATOM 0 HG23 ILE A 72 -7.006 -11.853 5.088 1.00 0.33 H new ATOM 0 HD11 ILE A 72 -11.109 -14.360 4.888 1.00 1.11 H new ATOM 0 HD12 ILE A 72 -10.718 -13.660 6.477 1.00 1.11 H new ATOM 0 HD13 ILE A 72 -11.638 -12.709 5.288 1.00 1.11 H new ATOM 1179 N ASP A 73 -6.761 -10.935 7.762 1.00 0.21 N ATOM 1180 CA ASP A 73 -5.316 -11.029 8.024 1.00 0.21 C ATOM 1181 C ASP A 73 -4.907 -10.219 9.260 1.00 0.22 C ATOM 1182 O ASP A 73 -3.808 -10.385 9.789 1.00 0.26 O ATOM 1183 CB ASP A 73 -4.536 -10.539 6.798 1.00 0.23 C ATOM 1184 CG ASP A 73 -3.064 -10.898 6.851 1.00 0.30 C ATOM 1185 OD1 ASP A 73 -2.719 -12.051 6.513 1.00 0.48 O ATOM 1186 OD2 ASP A 73 -2.247 -10.035 7.225 1.00 0.29 O ATOM 0 H ASP A 73 -7.144 -9.992 7.828 1.00 0.21 H new ATOM 0 HA ASP A 73 -5.079 -12.075 8.221 1.00 0.21 H new ATOM 0 HB2 ASP A 73 -4.977 -10.968 5.898 1.00 0.23 H new ATOM 0 HB3 ASP A 73 -4.638 -9.457 6.718 1.00 0.23 H new ATOM 1191 N GLU A 74 -5.808 -9.343 9.700 1.00 0.22 N ATOM 1192 CA GLU A 74 -5.615 -8.475 10.878 1.00 0.35 C ATOM 1193 C GLU A 74 -4.591 -7.359 10.644 1.00 0.43 C ATOM 1194 O GLU A 74 -4.603 -6.361 11.360 1.00 0.98 O ATOM 1195 CB GLU A 74 -5.241 -9.286 12.122 1.00 0.44 C ATOM 1196 CG GLU A 74 -5.412 -8.491 13.403 1.00 0.62 C ATOM 1197 CD GLU A 74 -4.842 -9.183 14.621 1.00 0.80 C ATOM 1198 OE1 GLU A 74 -3.614 -9.111 14.830 1.00 0.92 O ATOM 1199 OE2 GLU A 74 -5.617 -9.826 15.353 1.00 1.00 O ATOM 0 H GLU A 74 -6.711 -9.208 9.245 1.00 0.22 H new ATOM 0 HA GLU A 74 -6.579 -7.995 11.049 1.00 0.35 H new ATOM 0 HB2 GLU A 74 -5.860 -10.182 12.168 1.00 0.44 H new ATOM 0 HB3 GLU A 74 -4.206 -9.618 12.039 1.00 0.44 H new ATOM 0 HG2 GLU A 74 -4.929 -7.521 13.287 1.00 0.62 H new ATOM 0 HG3 GLU A 74 -6.473 -8.302 13.565 1.00 0.62 H new ATOM 1206 N ASN A 75 -3.723 -7.519 9.649 1.00 0.18 N ATOM 1207 CA ASN A 75 -2.710 -6.517 9.326 1.00 0.22 C ATOM 1208 C ASN A 75 -1.945 -6.936 8.091 1.00 0.19 C ATOM 1209 O ASN A 75 -0.798 -7.373 8.150 1.00 0.24 O ATOM 1210 CB ASN A 75 -1.752 -6.246 10.497 1.00 0.31 C ATOM 1211 CG ASN A 75 -1.136 -7.503 11.092 1.00 0.35 C ATOM 1212 OD1 ASN A 75 -0.047 -7.924 10.704 1.00 0.41 O ATOM 1213 ND2 ASN A 75 -1.831 -8.110 12.040 1.00 0.37 N ATOM 0 H ASN A 75 -3.701 -8.342 9.047 1.00 0.18 H new ATOM 0 HA ASN A 75 -3.230 -5.579 9.128 1.00 0.22 H new ATOM 0 HB2 ASN A 75 -0.953 -5.588 10.155 1.00 0.31 H new ATOM 0 HB3 ASN A 75 -2.292 -5.712 11.279 1.00 0.31 H new ATOM 0 HD21 ASN A 75 -1.467 -8.957 12.476 1.00 0.37 H new ATOM 0 HD22 ASN A 75 -2.731 -7.731 12.335 1.00 0.37 H new ATOM 1220 N ILE A 76 -2.604 -6.787 6.961 1.00 0.21 N ATOM 1221 CA ILE A 76 -2.020 -7.126 5.674 1.00 0.23 C ATOM 1222 C ILE A 76 -1.127 -5.967 5.200 1.00 0.21 C ATOM 1223 O ILE A 76 -0.974 -5.703 4.007 1.00 0.27 O ATOM 1224 CB ILE A 76 -3.132 -7.471 4.650 1.00 0.30 C ATOM 1225 CG1 ILE A 76 -2.538 -8.050 3.364 1.00 0.49 C ATOM 1226 CG2 ILE A 76 -4.001 -6.263 4.351 1.00 0.35 C ATOM 1227 CD1 ILE A 76 -1.917 -9.416 3.543 1.00 0.83 C ATOM 0 H ILE A 76 -3.557 -6.429 6.905 1.00 0.21 H new ATOM 0 HA ILE A 76 -1.395 -8.014 5.771 1.00 0.23 H new ATOM 0 HB ILE A 76 -3.767 -8.234 5.099 1.00 0.30 H new ATOM 0 HG12 ILE A 76 -3.321 -8.113 2.609 1.00 0.49 H new ATOM 0 HG13 ILE A 76 -1.782 -7.364 2.983 1.00 0.49 H new ATOM 0 HG21 ILE A 76 -4.771 -6.538 3.630 1.00 0.35 H new ATOM 0 HG22 ILE A 76 -4.473 -5.917 5.271 1.00 0.35 H new ATOM 0 HG23 ILE A 76 -3.385 -5.465 3.937 1.00 0.35 H new ATOM 0 HD11 ILE A 76 -1.517 -9.762 2.590 1.00 0.83 H new ATOM 0 HD12 ILE A 76 -1.111 -9.356 4.274 1.00 0.83 H new ATOM 0 HD13 ILE A 76 -2.674 -10.117 3.894 1.00 0.83 H new ATOM 1239 N ARG A 77 -0.527 -5.298 6.190 1.00 0.20 N ATOM 1240 CA ARG A 77 0.403 -4.194 5.979 1.00 0.19 C ATOM 1241 C ARG A 77 -0.231 -3.109 5.116 1.00 0.16 C ATOM 1242 O ARG A 77 0.300 -2.755 4.068 1.00 0.16 O ATOM 1243 CB ARG A 77 1.684 -4.686 5.298 1.00 0.26 C ATOM 1244 CG ARG A 77 2.243 -5.992 5.841 1.00 0.31 C ATOM 1245 CD ARG A 77 2.973 -5.836 7.159 1.00 0.39 C ATOM 1246 NE ARG A 77 3.611 -7.096 7.532 1.00 0.74 N ATOM 1247 CZ ARG A 77 4.575 -7.226 8.440 1.00 1.32 C ATOM 1248 NH1 ARG A 77 5.039 -6.165 9.089 1.00 1.92 N ATOM 1249 NH2 ARG A 77 5.081 -8.425 8.679 1.00 1.62 N ATOM 0 H ARG A 77 -0.679 -5.515 7.175 1.00 0.20 H new ATOM 0 HA ARG A 77 0.648 -3.780 6.957 1.00 0.19 H new ATOM 0 HB2 ARG A 77 1.487 -4.808 4.233 1.00 0.26 H new ATOM 0 HB3 ARG A 77 2.448 -3.914 5.394 1.00 0.26 H new ATOM 0 HG2 ARG A 77 1.426 -6.702 5.969 1.00 0.31 H new ATOM 0 HG3 ARG A 77 2.925 -6.420 5.106 1.00 0.31 H new ATOM 0 HD2 ARG A 77 3.723 -5.050 7.077 1.00 0.39 H new ATOM 0 HD3 ARG A 77 2.274 -5.529 7.937 1.00 0.39 H new ATOM 0 HE ARG A 77 3.293 -7.942 7.060 1.00 0.74 H new ATOM 0 HH11 ARG A 77 4.656 -5.240 8.893 1.00 1.92 H new ATOM 0 HH12 ARG A 77 5.778 -6.275 9.783 1.00 1.92 H new ATOM 0 HH21 ARG A 77 4.732 -9.237 8.170 1.00 1.62 H new ATOM 0 HH22 ARG A 77 5.820 -8.538 9.373 1.00 1.62 H new ATOM 1263 N VAL A 78 -1.373 -2.598 5.540 1.00 0.17 N ATOM 1264 CA VAL A 78 -2.066 -1.590 4.747 1.00 0.17 C ATOM 1265 C VAL A 78 -1.472 -0.179 4.922 1.00 0.16 C ATOM 1266 O VAL A 78 -1.044 0.217 6.007 1.00 0.23 O ATOM 1267 CB VAL A 78 -3.584 -1.574 5.048 1.00 0.18 C ATOM 1268 CG1 VAL A 78 -4.281 -0.440 4.310 1.00 0.40 C ATOM 1269 CG2 VAL A 78 -4.218 -2.903 4.677 1.00 0.35 C ATOM 0 H VAL A 78 -1.836 -2.856 6.412 1.00 0.17 H new ATOM 0 HA VAL A 78 -1.919 -1.877 3.706 1.00 0.17 H new ATOM 0 HB VAL A 78 -3.706 -1.411 6.119 1.00 0.18 H new ATOM 0 HG11 VAL A 78 -5.346 -0.455 4.542 1.00 0.40 H new ATOM 0 HG12 VAL A 78 -3.855 0.513 4.623 1.00 0.40 H new ATOM 0 HG13 VAL A 78 -4.142 -0.565 3.236 1.00 0.40 H new ATOM 0 HG21 VAL A 78 -5.285 -2.871 4.896 1.00 0.35 H new ATOM 0 HG22 VAL A 78 -4.072 -3.092 3.613 1.00 0.35 H new ATOM 0 HG23 VAL A 78 -3.753 -3.702 5.254 1.00 0.35 H new ATOM 1279 N ILE A 79 -1.412 0.535 3.799 1.00 0.13 N ATOM 1280 CA ILE A 79 -1.062 1.945 3.757 1.00 0.14 C ATOM 1281 C ILE A 79 -2.183 2.716 3.074 1.00 0.12 C ATOM 1282 O ILE A 79 -2.383 2.604 1.868 1.00 0.18 O ATOM 1283 CB ILE A 79 0.256 2.213 2.989 1.00 0.19 C ATOM 1284 CG1 ILE A 79 1.463 1.599 3.698 1.00 0.27 C ATOM 1285 CG2 ILE A 79 0.469 3.703 2.781 1.00 0.24 C ATOM 1286 CD1 ILE A 79 1.645 0.126 3.429 1.00 0.45 C ATOM 0 H ILE A 79 -1.609 0.139 2.880 1.00 0.13 H new ATOM 0 HA ILE A 79 -0.920 2.272 4.787 1.00 0.14 H new ATOM 0 HB ILE A 79 0.163 1.733 2.015 1.00 0.19 H new ATOM 0 HG12 ILE A 79 2.363 2.129 3.387 1.00 0.27 H new ATOM 0 HG13 ILE A 79 1.358 1.752 4.772 1.00 0.27 H new ATOM 0 HG21 ILE A 79 1.401 3.865 2.240 1.00 0.24 H new ATOM 0 HG22 ILE A 79 -0.361 4.112 2.205 1.00 0.24 H new ATOM 0 HG23 ILE A 79 0.520 4.202 3.749 1.00 0.24 H new ATOM 0 HD11 ILE A 79 2.521 -0.236 3.966 1.00 0.45 H new ATOM 0 HD12 ILE A 79 0.762 -0.417 3.766 1.00 0.45 H new ATOM 0 HD13 ILE A 79 1.783 -0.034 2.360 1.00 0.45 H new ATOM 1298 N ILE A 80 -2.929 3.479 3.842 1.00 0.13 N ATOM 1299 CA ILE A 80 -4.016 4.265 3.285 1.00 0.15 C ATOM 1300 C ILE A 80 -3.573 5.695 3.012 1.00 0.16 C ATOM 1301 O ILE A 80 -2.997 6.354 3.875 1.00 0.17 O ATOM 1302 CB ILE A 80 -5.261 4.238 4.190 1.00 0.16 C ATOM 1303 CG1 ILE A 80 -6.155 5.462 3.942 1.00 0.18 C ATOM 1304 CG2 ILE A 80 -4.861 4.134 5.657 1.00 0.17 C ATOM 1305 CD1 ILE A 80 -7.303 5.562 4.910 1.00 0.22 C ATOM 0 H ILE A 80 -2.807 3.574 4.850 1.00 0.13 H new ATOM 0 HA ILE A 80 -4.293 3.808 2.335 1.00 0.15 H new ATOM 0 HB ILE A 80 -5.842 3.351 3.937 1.00 0.16 H new ATOM 0 HG12 ILE A 80 -5.550 6.366 4.011 1.00 0.18 H new ATOM 0 HG13 ILE A 80 -6.547 5.418 2.926 1.00 0.18 H new ATOM 0 HG21 ILE A 80 -5.757 4.117 6.278 1.00 0.17 H new ATOM 0 HG22 ILE A 80 -4.292 3.218 5.815 1.00 0.17 H new ATOM 0 HG23 ILE A 80 -4.248 4.993 5.929 1.00 0.17 H new ATOM 0 HD11 ILE A 80 -7.896 6.448 4.681 1.00 0.22 H new ATOM 0 HD12 ILE A 80 -7.929 4.674 4.825 1.00 0.22 H new ATOM 0 HD13 ILE A 80 -6.916 5.637 5.926 1.00 0.22 H new ATOM 1317 N MET A 81 -3.834 6.161 1.801 1.00 0.21 N ATOM 1318 CA MET A 81 -3.400 7.479 1.377 1.00 0.23 C ATOM 1319 C MET A 81 -4.554 8.476 1.441 1.00 0.20 C ATOM 1320 O MET A 81 -5.710 8.117 1.224 1.00 0.23 O ATOM 1321 CB MET A 81 -2.833 7.415 -0.044 1.00 0.32 C ATOM 1322 CG MET A 81 -1.737 6.373 -0.218 1.00 0.38 C ATOM 1323 SD MET A 81 -0.798 6.589 -1.743 1.00 0.63 S ATOM 1324 CE MET A 81 -2.089 6.404 -2.969 1.00 1.09 C ATOM 0 H MET A 81 -4.348 5.640 1.091 1.00 0.21 H new ATOM 0 HA MET A 81 -2.617 7.818 2.056 1.00 0.23 H new ATOM 0 HB2 MET A 81 -3.643 7.197 -0.740 1.00 0.32 H new ATOM 0 HB3 MET A 81 -2.437 8.394 -0.312 1.00 0.32 H new ATOM 0 HG2 MET A 81 -1.056 6.424 0.632 1.00 0.38 H new ATOM 0 HG3 MET A 81 -2.184 5.379 -0.210 1.00 0.38 H new ATOM 0 HE1 MET A 81 -1.654 6.459 -3.967 1.00 1.09 H new ATOM 0 HE2 MET A 81 -2.578 5.439 -2.839 1.00 1.09 H new ATOM 0 HE3 MET A 81 -2.822 7.201 -2.848 1.00 1.09 H new ATOM 1334 N THR A 82 -4.232 9.715 1.789 1.00 0.20 N ATOM 1335 CA THR A 82 -5.219 10.788 1.851 1.00 0.20 C ATOM 1336 C THR A 82 -4.714 12.019 1.114 1.00 0.19 C ATOM 1337 O THR A 82 -3.602 12.016 0.611 1.00 0.20 O ATOM 1338 CB THR A 82 -5.521 11.171 3.301 1.00 0.29 C ATOM 1339 OG1 THR A 82 -4.354 11.733 3.914 1.00 0.82 O ATOM 1340 CG2 THR A 82 -5.975 9.965 4.097 1.00 0.53 C ATOM 0 H THR A 82 -3.285 10.005 2.035 1.00 0.20 H new ATOM 0 HA THR A 82 -6.131 10.423 1.378 1.00 0.20 H new ATOM 0 HB THR A 82 -6.324 11.909 3.295 1.00 0.29 H new ATOM 0 HG1 THR A 82 -4.364 11.540 4.875 1.00 0.82 H new ATOM 0 HG21 THR A 82 -6.183 10.264 5.124 1.00 0.53 H new ATOM 0 HG22 THR A 82 -6.879 9.553 3.649 1.00 0.53 H new ATOM 0 HG23 THR A 82 -5.190 9.209 4.092 1.00 0.53 H new ATOM 1348 N ALA A 83 -5.516 13.080 1.079 1.00 0.25 N ATOM 1349 CA ALA A 83 -5.125 14.326 0.411 1.00 0.25 C ATOM 1350 C ALA A 83 -4.132 15.124 1.258 1.00 0.28 C ATOM 1351 O ALA A 83 -4.168 16.352 1.280 1.00 0.55 O ATOM 1352 CB ALA A 83 -6.359 15.164 0.114 1.00 0.31 C ATOM 0 H ALA A 83 -6.442 13.105 1.505 1.00 0.25 H new ATOM 0 HA ALA A 83 -4.631 14.069 -0.526 1.00 0.25 H new ATOM 0 HB1 ALA A 83 -6.061 16.088 -0.382 1.00 0.31 H new ATOM 0 HB2 ALA A 83 -7.031 14.604 -0.536 1.00 0.31 H new ATOM 0 HB3 ALA A 83 -6.870 15.402 1.047 1.00 0.31 H new ATOM 1358 N TYR A 84 -3.234 14.403 1.932 1.00 0.45 N ATOM 1359 CA TYR A 84 -2.215 14.986 2.814 1.00 0.45 C ATOM 1360 C TYR A 84 -2.846 15.856 3.915 1.00 0.61 C ATOM 1361 O TYR A 84 -2.168 16.645 4.572 1.00 1.31 O ATOM 1362 CB TYR A 84 -1.204 15.784 1.977 1.00 0.47 C ATOM 1363 CG TYR A 84 0.068 16.163 2.709 1.00 0.94 C ATOM 1364 CD1 TYR A 84 0.937 15.187 3.186 1.00 1.82 C ATOM 1365 CD2 TYR A 84 0.403 17.496 2.918 1.00 0.98 C ATOM 1366 CE1 TYR A 84 2.100 15.527 3.849 1.00 2.58 C ATOM 1367 CE2 TYR A 84 1.567 17.843 3.579 1.00 1.61 C ATOM 1368 CZ TYR A 84 2.410 16.854 4.042 1.00 2.42 C ATOM 1369 OH TYR A 84 3.573 17.197 4.697 1.00 3.19 O ATOM 0 H TYR A 84 -3.191 13.385 1.882 1.00 0.45 H new ATOM 0 HA TYR A 84 -1.690 14.176 3.320 1.00 0.45 H new ATOM 0 HB2 TYR A 84 -0.939 15.198 1.097 1.00 0.47 H new ATOM 0 HB3 TYR A 84 -1.686 16.694 1.621 1.00 0.47 H new ATOM 0 HD1 TYR A 84 0.698 14.145 3.035 1.00 1.82 H new ATOM 0 HD2 TYR A 84 -0.256 18.272 2.559 1.00 0.98 H new ATOM 0 HE1 TYR A 84 2.762 14.756 4.214 1.00 2.58 H new ATOM 0 HE2 TYR A 84 1.815 18.883 3.732 1.00 1.61 H new ATOM 0 HH TYR A 84 3.643 18.173 4.749 1.00 3.19 H new ATOM 1379 N GLY A 85 -4.143 15.688 4.119 1.00 0.56 N ATOM 1380 CA GLY A 85 -4.838 16.414 5.165 1.00 0.62 C ATOM 1381 C GLY A 85 -6.312 16.087 5.188 1.00 0.62 C ATOM 1382 O GLY A 85 -7.107 16.791 5.809 1.00 0.75 O ATOM 0 H GLY A 85 -4.732 15.057 3.575 1.00 0.56 H new ATOM 0 HA2 GLY A 85 -4.396 16.171 6.131 1.00 0.62 H new ATOM 0 HA3 GLY A 85 -4.705 17.485 5.014 1.00 0.62 H new ATOM 1386 N GLU A 86 -6.674 15.006 4.512 1.00 0.51 N ATOM 1387 CA GLU A 86 -8.053 14.556 4.483 1.00 0.53 C ATOM 1388 C GLU A 86 -8.359 13.773 5.754 1.00 0.51 C ATOM 1389 O GLU A 86 -9.016 14.275 6.664 1.00 0.59 O ATOM 1390 CB GLU A 86 -8.296 13.681 3.253 1.00 0.51 C ATOM 1391 CG GLU A 86 -9.760 13.365 3.018 1.00 0.59 C ATOM 1392 CD GLU A 86 -10.554 14.596 2.656 1.00 0.62 C ATOM 1393 OE1 GLU A 86 -11.020 15.301 3.571 1.00 0.95 O ATOM 1394 OE2 GLU A 86 -10.705 14.869 1.450 1.00 1.12 O ATOM 0 H GLU A 86 -6.029 14.425 3.976 1.00 0.51 H new ATOM 0 HA GLU A 86 -8.712 15.422 4.428 1.00 0.53 H new ATOM 0 HB2 GLU A 86 -7.895 14.184 2.373 1.00 0.51 H new ATOM 0 HB3 GLU A 86 -7.744 12.748 3.365 1.00 0.51 H new ATOM 0 HG2 GLU A 86 -9.848 12.629 2.219 1.00 0.59 H new ATOM 0 HG3 GLU A 86 -10.182 12.913 3.916 1.00 0.59 H new ATOM 1401 N LEU A 87 -7.840 12.545 5.795 1.00 0.42 N ATOM 1402 CA LEU A 87 -7.952 11.657 6.953 1.00 0.42 C ATOM 1403 C LEU A 87 -9.370 11.625 7.525 1.00 0.49 C ATOM 1404 O LEU A 87 -9.601 12.047 8.657 1.00 0.63 O ATOM 1405 CB LEU A 87 -6.955 12.045 8.055 1.00 0.45 C ATOM 1406 CG LEU A 87 -5.466 11.943 7.684 1.00 0.45 C ATOM 1407 CD1 LEU A 87 -5.001 13.178 6.930 1.00 0.47 C ATOM 1408 CD2 LEU A 87 -4.626 11.730 8.930 1.00 0.52 C ATOM 0 H LEU A 87 -7.324 12.135 5.017 1.00 0.42 H new ATOM 0 HA LEU A 87 -7.711 10.656 6.595 1.00 0.42 H new ATOM 0 HB2 LEU A 87 -7.163 13.070 8.361 1.00 0.45 H new ATOM 0 HB3 LEU A 87 -7.137 11.410 8.922 1.00 0.45 H new ATOM 0 HG LEU A 87 -5.339 11.084 7.025 1.00 0.45 H new ATOM 0 HD11 LEU A 87 -3.945 13.076 6.682 1.00 0.47 H new ATOM 0 HD12 LEU A 87 -5.581 13.284 6.013 1.00 0.47 H new ATOM 0 HD13 LEU A 87 -5.144 14.060 7.554 1.00 0.47 H new ATOM 0 HD21 LEU A 87 -3.574 11.660 8.652 1.00 0.52 H new ATOM 0 HD22 LEU A 87 -4.766 12.569 9.611 1.00 0.52 H new ATOM 0 HD23 LEU A 87 -4.934 10.808 9.423 1.00 0.52 H new ATOM 1420 N ASP A 88 -10.317 11.134 6.737 1.00 0.60 N ATOM 1421 CA ASP A 88 -11.702 11.035 7.189 1.00 0.71 C ATOM 1422 C ASP A 88 -11.894 9.793 8.054 1.00 0.77 C ATOM 1423 O ASP A 88 -11.985 9.888 9.276 1.00 1.71 O ATOM 1424 CB ASP A 88 -12.659 11.010 5.998 1.00 0.91 C ATOM 1425 CG ASP A 88 -14.096 10.755 6.409 1.00 1.10 C ATOM 1426 OD1 ASP A 88 -14.653 11.574 7.170 1.00 1.18 O ATOM 1427 OD2 ASP A 88 -14.675 9.740 5.973 1.00 1.52 O ATOM 0 H ASP A 88 -10.155 10.799 5.787 1.00 0.60 H new ATOM 0 HA ASP A 88 -11.929 11.915 7.791 1.00 0.71 H new ATOM 0 HB2 ASP A 88 -12.600 11.961 5.469 1.00 0.91 H new ATOM 0 HB3 ASP A 88 -12.342 10.236 5.299 1.00 0.91 H new ATOM 1432 N MET A 89 -11.919 8.628 7.421 1.00 0.63 N ATOM 1433 CA MET A 89 -12.056 7.367 8.143 1.00 0.55 C ATOM 1434 C MET A 89 -10.673 6.755 8.360 1.00 0.45 C ATOM 1435 O MET A 89 -10.506 5.538 8.483 1.00 0.47 O ATOM 1436 CB MET A 89 -12.962 6.422 7.357 1.00 0.73 C ATOM 1437 CG MET A 89 -13.850 5.581 8.248 1.00 0.82 C ATOM 1438 SD MET A 89 -14.923 4.456 7.329 1.00 1.55 S ATOM 1439 CE MET A 89 -15.832 5.607 6.298 1.00 2.18 C ATOM 0 H MET A 89 -11.846 8.528 6.408 1.00 0.63 H new ATOM 0 HA MET A 89 -12.512 7.542 9.118 1.00 0.55 H new ATOM 0 HB2 MET A 89 -13.585 7.005 6.678 1.00 0.73 H new ATOM 0 HB3 MET A 89 -12.347 5.765 6.742 1.00 0.73 H new ATOM 0 HG2 MET A 89 -13.226 5.002 8.929 1.00 0.82 H new ATOM 0 HG3 MET A 89 -14.465 6.239 8.861 1.00 0.82 H new ATOM 0 HE1 MET A 89 -16.750 5.135 5.948 1.00 2.18 H new ATOM 0 HE2 MET A 89 -16.080 6.497 6.877 1.00 2.18 H new ATOM 0 HE3 MET A 89 -15.220 5.890 5.442 1.00 2.18 H new ATOM 1449 N ILE A 90 -9.689 7.642 8.438 1.00 0.37 N ATOM 1450 CA ILE A 90 -8.285 7.271 8.518 1.00 0.31 C ATOM 1451 C ILE A 90 -7.960 6.466 9.774 1.00 0.27 C ATOM 1452 O ILE A 90 -7.202 5.503 9.717 1.00 0.27 O ATOM 1453 CB ILE A 90 -7.399 8.544 8.451 1.00 0.31 C ATOM 1454 CG1 ILE A 90 -6.610 8.550 7.151 1.00 0.38 C ATOM 1455 CG2 ILE A 90 -6.465 8.664 9.652 1.00 0.29 C ATOM 1456 CD1 ILE A 90 -5.549 7.477 7.078 1.00 0.42 C ATOM 0 H ILE A 90 -9.847 8.650 8.447 1.00 0.37 H new ATOM 0 HA ILE A 90 -8.071 6.626 7.666 1.00 0.31 H new ATOM 0 HB ILE A 90 -8.058 9.412 8.480 1.00 0.31 H new ATOM 0 HG12 ILE A 90 -7.300 8.423 6.317 1.00 0.38 H new ATOM 0 HG13 ILE A 90 -6.137 9.524 7.028 1.00 0.38 H new ATOM 0 HG21 ILE A 90 -5.867 9.570 9.558 1.00 0.29 H new ATOM 0 HG22 ILE A 90 -7.054 8.711 10.568 1.00 0.29 H new ATOM 0 HG23 ILE A 90 -5.806 7.796 9.689 1.00 0.29 H new ATOM 0 HD11 ILE A 90 -5.029 7.544 6.123 1.00 0.42 H new ATOM 0 HD12 ILE A 90 -4.835 7.615 7.890 1.00 0.42 H new ATOM 0 HD13 ILE A 90 -6.016 6.496 7.168 1.00 0.42 H new ATOM 1468 N GLN A 91 -8.550 6.852 10.892 1.00 0.29 N ATOM 1469 CA GLN A 91 -8.169 6.293 12.185 1.00 0.31 C ATOM 1470 C GLN A 91 -8.523 4.817 12.276 1.00 0.31 C ATOM 1471 O GLN A 91 -7.665 3.978 12.578 1.00 0.32 O ATOM 1472 CB GLN A 91 -8.822 7.086 13.315 1.00 0.39 C ATOM 1473 CG GLN A 91 -8.371 8.540 13.357 1.00 0.45 C ATOM 1474 CD GLN A 91 -6.948 8.723 13.871 1.00 1.35 C ATOM 1475 OE1 GLN A 91 -6.614 9.761 14.438 1.00 2.14 O ATOM 1476 NE2 GLN A 91 -6.097 7.727 13.680 1.00 2.10 N ATOM 0 H GLN A 91 -9.294 7.549 10.935 1.00 0.29 H new ATOM 0 HA GLN A 91 -7.087 6.373 12.286 1.00 0.31 H new ATOM 0 HB2 GLN A 91 -9.905 7.050 13.198 1.00 0.39 H new ATOM 0 HB3 GLN A 91 -8.588 6.611 14.268 1.00 0.39 H new ATOM 0 HG2 GLN A 91 -8.444 8.963 12.355 1.00 0.45 H new ATOM 0 HG3 GLN A 91 -9.053 9.105 13.992 1.00 0.45 H new ATOM 0 HE21 GLN A 91 -6.404 6.878 13.206 1.00 2.10 H new ATOM 0 HE22 GLN A 91 -5.134 7.809 14.007 1.00 2.10 H new ATOM 1485 N GLU A 92 -9.773 4.506 11.997 1.00 0.38 N ATOM 1486 CA GLU A 92 -10.219 3.127 11.951 1.00 0.42 C ATOM 1487 C GLU A 92 -9.453 2.362 10.888 1.00 0.34 C ATOM 1488 O GLU A 92 -8.975 1.263 11.137 1.00 0.33 O ATOM 1489 CB GLU A 92 -11.724 3.024 11.696 1.00 0.55 C ATOM 1490 CG GLU A 92 -12.308 4.106 10.800 1.00 0.64 C ATOM 1491 CD GLU A 92 -12.514 5.433 11.511 1.00 1.21 C ATOM 1492 OE1 GLU A 92 -13.552 5.596 12.185 1.00 1.73 O ATOM 1493 OE2 GLU A 92 -11.642 6.317 11.400 1.00 1.52 O ATOM 0 H GLU A 92 -10.501 5.192 11.798 1.00 0.38 H new ATOM 0 HA GLU A 92 -10.019 2.684 12.927 1.00 0.42 H new ATOM 0 HB2 GLU A 92 -11.934 2.053 11.249 1.00 0.55 H new ATOM 0 HB3 GLU A 92 -12.241 3.052 12.655 1.00 0.55 H new ATOM 0 HG2 GLU A 92 -11.646 4.258 9.948 1.00 0.64 H new ATOM 0 HG3 GLU A 92 -13.264 3.762 10.404 1.00 0.64 H new ATOM 1500 N SER A 93 -9.318 2.957 9.715 1.00 0.32 N ATOM 1501 CA SER A 93 -8.575 2.332 8.630 1.00 0.27 C ATOM 1502 C SER A 93 -7.147 1.960 9.049 1.00 0.21 C ATOM 1503 O SER A 93 -6.687 0.856 8.763 1.00 0.22 O ATOM 1504 CB SER A 93 -8.541 3.245 7.412 1.00 0.33 C ATOM 1505 OG SER A 93 -7.855 2.633 6.333 1.00 0.98 O ATOM 0 H SER A 93 -9.712 3.870 9.488 1.00 0.32 H new ATOM 0 HA SER A 93 -9.095 1.409 8.374 1.00 0.27 H new ATOM 0 HB2 SER A 93 -9.559 3.489 7.108 1.00 0.33 H new ATOM 0 HB3 SER A 93 -8.052 4.184 7.671 1.00 0.33 H new ATOM 0 HG SER A 93 -8.391 1.890 5.984 1.00 0.98 H new ATOM 1511 N LYS A 94 -6.444 2.866 9.733 1.00 0.21 N ATOM 1512 CA LYS A 94 -5.047 2.611 10.079 1.00 0.21 C ATOM 1513 C LYS A 94 -4.906 1.648 11.253 1.00 0.25 C ATOM 1514 O LYS A 94 -3.857 1.039 11.425 1.00 0.31 O ATOM 1515 CB LYS A 94 -4.266 3.898 10.355 1.00 0.23 C ATOM 1516 CG LYS A 94 -4.831 4.739 11.477 1.00 0.30 C ATOM 1517 CD LYS A 94 -3.897 5.876 11.855 1.00 0.43 C ATOM 1518 CE LYS A 94 -2.672 5.373 12.602 1.00 0.65 C ATOM 1519 NZ LYS A 94 -3.006 4.942 13.986 1.00 1.25 N ATOM 0 H LYS A 94 -6.810 3.763 10.052 1.00 0.21 H new ATOM 0 HA LYS A 94 -4.612 2.138 9.199 1.00 0.21 H new ATOM 0 HB2 LYS A 94 -3.235 3.639 10.594 1.00 0.23 H new ATOM 0 HB3 LYS A 94 -4.241 4.497 9.445 1.00 0.23 H new ATOM 0 HG2 LYS A 94 -5.796 5.146 11.176 1.00 0.30 H new ATOM 0 HG3 LYS A 94 -5.009 4.110 12.349 1.00 0.30 H new ATOM 0 HD2 LYS A 94 -3.583 6.404 10.954 1.00 0.43 H new ATOM 0 HD3 LYS A 94 -4.432 6.595 12.475 1.00 0.43 H new ATOM 0 HE2 LYS A 94 -2.232 4.537 12.057 1.00 0.65 H new ATOM 0 HE3 LYS A 94 -1.920 6.161 12.638 1.00 0.65 H new ATOM 0 HZ1 LYS A 94 -2.129 4.784 14.522 1.00 1.25 H new ATOM 0 HZ2 LYS A 94 -3.568 5.681 14.454 1.00 1.25 H new ATOM 0 HZ3 LYS A 94 -3.555 4.059 13.952 1.00 1.25 H new ATOM 1533 N GLU A 95 -5.942 1.505 12.071 1.00 0.30 N ATOM 1534 CA GLU A 95 -5.894 0.500 13.130 1.00 0.44 C ATOM 1535 C GLU A 95 -6.421 -0.836 12.620 1.00 0.51 C ATOM 1536 O GLU A 95 -6.342 -1.855 13.308 1.00 0.66 O ATOM 1537 CB GLU A 95 -6.684 0.934 14.366 1.00 0.49 C ATOM 1538 CG GLU A 95 -8.157 1.191 14.108 1.00 0.44 C ATOM 1539 CD GLU A 95 -8.969 1.211 15.383 1.00 0.59 C ATOM 1540 OE1 GLU A 95 -8.858 2.194 16.147 1.00 0.85 O ATOM 1541 OE2 GLU A 95 -9.706 0.236 15.640 1.00 0.67 O ATOM 0 H GLU A 95 -6.801 2.053 12.027 1.00 0.30 H new ATOM 0 HA GLU A 95 -4.850 0.389 13.423 1.00 0.44 H new ATOM 0 HB2 GLU A 95 -6.590 0.164 15.131 1.00 0.49 H new ATOM 0 HB3 GLU A 95 -6.234 1.841 14.770 1.00 0.49 H new ATOM 0 HG2 GLU A 95 -8.272 2.144 13.592 1.00 0.44 H new ATOM 0 HG3 GLU A 95 -8.547 0.420 13.444 1.00 0.44 H new ATOM 1548 N LEU A 96 -6.943 -0.823 11.405 1.00 0.51 N ATOM 1549 CA LEU A 96 -7.564 -1.996 10.816 1.00 0.64 C ATOM 1550 C LEU A 96 -6.627 -2.709 9.850 1.00 0.93 C ATOM 1551 O LEU A 96 -6.886 -2.787 8.652 1.00 1.73 O ATOM 1552 CB LEU A 96 -8.852 -1.589 10.108 1.00 0.53 C ATOM 1553 CG LEU A 96 -10.148 -1.890 10.868 1.00 0.41 C ATOM 1554 CD1 LEU A 96 -9.978 -1.669 12.363 1.00 0.40 C ATOM 1555 CD2 LEU A 96 -11.271 -1.020 10.352 1.00 0.40 C ATOM 0 H LEU A 96 -6.948 -0.001 10.801 1.00 0.51 H new ATOM 0 HA LEU A 96 -7.794 -2.698 11.618 1.00 0.64 H new ATOM 0 HB2 LEU A 96 -8.811 -0.519 9.905 1.00 0.53 H new ATOM 0 HB3 LEU A 96 -8.891 -2.096 9.144 1.00 0.53 H new ATOM 0 HG LEU A 96 -10.393 -2.939 10.701 1.00 0.41 H new ATOM 0 HD11 LEU A 96 -10.916 -1.891 12.873 1.00 0.40 H new ATOM 0 HD12 LEU A 96 -9.195 -2.326 12.741 1.00 0.40 H new ATOM 0 HD13 LEU A 96 -9.702 -0.631 12.548 1.00 0.40 H new ATOM 0 HD21 LEU A 96 -12.186 -1.244 10.900 1.00 0.40 H new ATOM 0 HD22 LEU A 96 -11.012 0.029 10.492 1.00 0.40 H new ATOM 0 HD23 LEU A 96 -11.426 -1.217 9.291 1.00 0.40 H new ATOM 1567 N GLY A 97 -5.520 -3.214 10.377 1.00 0.54 N ATOM 1568 CA GLY A 97 -4.623 -4.030 9.580 1.00 0.69 C ATOM 1569 C GLY A 97 -3.653 -3.219 8.762 1.00 0.61 C ATOM 1570 O GLY A 97 -2.778 -3.760 8.081 1.00 0.88 O ATOM 0 H GLY A 97 -5.226 -3.073 11.344 1.00 0.54 H new ATOM 0 HA2 GLY A 97 -4.065 -4.695 10.239 1.00 0.69 H new ATOM 0 HA3 GLY A 97 -5.211 -4.661 8.914 1.00 0.69 H new ATOM 1574 N ALA A 98 -3.821 -1.930 8.815 1.00 0.32 N ATOM 1575 CA ALA A 98 -2.918 -1.020 8.152 1.00 0.27 C ATOM 1576 C ALA A 98 -1.699 -0.774 9.014 1.00 0.19 C ATOM 1577 O ALA A 98 -1.816 -0.543 10.214 1.00 0.22 O ATOM 1578 CB ALA A 98 -3.624 0.282 7.843 1.00 0.26 C ATOM 0 H ALA A 98 -4.584 -1.475 9.316 1.00 0.32 H new ATOM 0 HA ALA A 98 -2.592 -1.467 7.213 1.00 0.27 H new ATOM 0 HB1 ALA A 98 -2.933 0.961 7.343 1.00 0.26 H new ATOM 0 HB2 ALA A 98 -4.477 0.088 7.192 1.00 0.26 H new ATOM 0 HB3 ALA A 98 -3.971 0.737 8.771 1.00 0.26 H new ATOM 1584 N LEU A 99 -0.527 -0.855 8.412 1.00 0.18 N ATOM 1585 CA LEU A 99 0.689 -0.565 9.142 1.00 0.23 C ATOM 1586 C LEU A 99 0.956 0.942 9.182 1.00 0.26 C ATOM 1587 O LEU A 99 1.689 1.416 10.051 1.00 0.39 O ATOM 1588 CB LEU A 99 1.905 -1.355 8.597 1.00 0.51 C ATOM 1589 CG LEU A 99 2.220 -1.254 7.097 1.00 0.60 C ATOM 1590 CD1 LEU A 99 2.613 0.152 6.698 1.00 1.27 C ATOM 1591 CD2 LEU A 99 3.348 -2.212 6.751 1.00 1.26 C ATOM 0 H LEU A 99 -0.393 -1.115 7.435 1.00 0.18 H new ATOM 0 HA LEU A 99 0.542 -0.904 10.168 1.00 0.23 H new ATOM 0 HB2 LEU A 99 2.788 -1.028 9.146 1.00 0.51 H new ATOM 0 HB3 LEU A 99 1.753 -2.408 8.836 1.00 0.51 H new ATOM 0 HG LEU A 99 1.317 -1.518 6.547 1.00 0.60 H new ATOM 0 HD11 LEU A 99 2.828 0.180 5.630 1.00 1.27 H new ATOM 0 HD12 LEU A 99 1.794 0.836 6.922 1.00 1.27 H new ATOM 0 HD13 LEU A 99 3.500 0.454 7.255 1.00 1.27 H new ATOM 0 HD21 LEU A 99 3.572 -2.141 5.687 1.00 1.26 H new ATOM 0 HD22 LEU A 99 4.236 -1.952 7.327 1.00 1.26 H new ATOM 0 HD23 LEU A 99 3.046 -3.231 6.991 1.00 1.26 H new ATOM 1603 N THR A 100 0.359 1.705 8.255 1.00 0.23 N ATOM 1604 CA THR A 100 0.540 3.157 8.276 1.00 0.28 C ATOM 1605 C THR A 100 -0.377 3.858 7.276 1.00 0.24 C ATOM 1606 O THR A 100 -1.091 3.215 6.506 1.00 0.25 O ATOM 1607 CB THR A 100 2.015 3.548 7.989 1.00 0.36 C ATOM 1608 OG1 THR A 100 2.298 4.852 8.517 1.00 0.42 O ATOM 1609 CG2 THR A 100 2.317 3.543 6.496 1.00 0.34 C ATOM 0 H THR A 100 -0.235 1.352 7.505 1.00 0.23 H new ATOM 0 HA THR A 100 0.274 3.488 9.280 1.00 0.28 H new ATOM 0 HB THR A 100 2.646 2.804 8.475 1.00 0.36 H new ATOM 0 HG1 THR A 100 3.240 4.900 8.783 1.00 0.42 H new ATOM 0 HG21 THR A 100 3.358 3.822 6.334 1.00 0.34 H new ATOM 0 HG22 THR A 100 2.141 2.546 6.093 1.00 0.34 H new ATOM 0 HG23 THR A 100 1.668 4.258 5.991 1.00 0.34 H new ATOM 1617 N HIS A 101 -0.362 5.184 7.310 1.00 0.29 N ATOM 1618 CA HIS A 101 -1.099 5.984 6.352 1.00 0.28 C ATOM 1619 C HIS A 101 -0.147 6.912 5.599 1.00 0.27 C ATOM 1620 O HIS A 101 0.890 7.316 6.128 1.00 0.35 O ATOM 1621 CB HIS A 101 -2.204 6.796 7.048 1.00 0.32 C ATOM 1622 CG HIS A 101 -1.748 8.075 7.698 1.00 0.42 C ATOM 1623 ND1 HIS A 101 -1.108 8.129 8.919 1.00 1.12 N ATOM 1624 CD2 HIS A 101 -1.854 9.359 7.278 1.00 1.14 C ATOM 1625 CE1 HIS A 101 -0.842 9.389 9.217 1.00 0.93 C ATOM 1626 NE2 HIS A 101 -1.285 10.152 8.237 1.00 0.92 N ATOM 0 H HIS A 101 0.158 5.728 7.998 1.00 0.29 H new ATOM 0 HA HIS A 101 -1.574 5.312 5.637 1.00 0.28 H new ATOM 0 HB2 HIS A 101 -2.974 7.035 6.314 1.00 0.32 H new ATOM 0 HB3 HIS A 101 -2.671 6.168 7.807 1.00 0.32 H new ATOM 0 HD2 HIS A 101 -2.305 9.695 6.356 1.00 1.14 H new ATOM 0 HE1 HIS A 101 -0.346 9.735 10.112 1.00 0.93 H new ATOM 0 HE2 HIS A 101 -1.215 11.169 8.200 1.00 0.92 H new ATOM 1635 N PHE A 102 -0.514 7.249 4.377 1.00 0.25 N ATOM 1636 CA PHE A 102 0.282 8.129 3.535 1.00 0.24 C ATOM 1637 C PHE A 102 -0.627 9.112 2.819 1.00 0.20 C ATOM 1638 O PHE A 102 -1.772 9.320 3.229 1.00 0.21 O ATOM 1639 CB PHE A 102 1.113 7.309 2.547 1.00 0.30 C ATOM 1640 CG PHE A 102 2.559 7.263 2.941 1.00 0.54 C ATOM 1641 CD1 PHE A 102 3.012 6.304 3.830 1.00 0.85 C ATOM 1642 CD2 PHE A 102 3.468 8.156 2.401 1.00 0.99 C ATOM 1643 CE1 PHE A 102 4.346 6.240 4.178 1.00 1.13 C ATOM 1644 CE2 PHE A 102 4.803 8.093 2.741 1.00 1.33 C ATOM 1645 CZ PHE A 102 5.223 7.224 3.708 1.00 1.29 C ATOM 0 H PHE A 102 -1.374 6.921 3.937 1.00 0.25 H new ATOM 0 HA PHE A 102 0.975 8.697 4.155 1.00 0.24 H new ATOM 0 HB2 PHE A 102 0.718 6.294 2.494 1.00 0.30 H new ATOM 0 HB3 PHE A 102 1.021 7.739 1.550 1.00 0.30 H new ATOM 0 HD1 PHE A 102 2.314 5.598 4.256 1.00 0.85 H new ATOM 0 HD2 PHE A 102 3.128 8.910 1.706 1.00 0.99 H new ATOM 0 HE1 PHE A 102 4.709 5.440 4.806 1.00 1.13 H new ATOM 0 HE2 PHE A 102 5.517 8.731 2.242 1.00 1.33 H new ATOM 0 HZ PHE A 102 6.224 7.296 4.107 1.00 1.29 H new ATOM 1655 N ALA A 103 -0.134 9.731 1.768 1.00 0.22 N ATOM 1656 CA ALA A 103 -0.909 10.734 1.078 1.00 0.23 C ATOM 1657 C ALA A 103 -0.861 10.537 -0.425 1.00 0.31 C ATOM 1658 O ALA A 103 0.174 10.194 -0.986 1.00 0.47 O ATOM 1659 CB ALA A 103 -0.424 12.130 1.451 1.00 0.34 C ATOM 0 H ALA A 103 0.792 9.558 1.377 1.00 0.22 H new ATOM 0 HA ALA A 103 -1.947 10.627 1.392 1.00 0.23 H new ATOM 0 HB1 ALA A 103 -1.019 12.875 0.922 1.00 0.34 H new ATOM 0 HB2 ALA A 103 -0.530 12.277 2.526 1.00 0.34 H new ATOM 0 HB3 ALA A 103 0.624 12.238 1.172 1.00 0.34 H new ATOM 1665 N LYS A 104 -2.002 10.737 -1.057 1.00 0.26 N ATOM 1666 CA LYS A 104 -2.093 10.815 -2.503 1.00 0.33 C ATOM 1667 C LYS A 104 -1.131 11.893 -3.048 1.00 0.40 C ATOM 1668 O LYS A 104 -0.426 11.656 -4.027 1.00 0.51 O ATOM 1669 CB LYS A 104 -3.547 11.111 -2.888 1.00 0.32 C ATOM 1670 CG LYS A 104 -3.827 11.116 -4.378 1.00 0.53 C ATOM 1671 CD LYS A 104 -3.339 9.839 -5.038 1.00 0.93 C ATOM 1672 CE LYS A 104 -3.971 9.642 -6.399 1.00 1.15 C ATOM 1673 NZ LYS A 104 -5.436 9.439 -6.293 1.00 2.18 N ATOM 0 H LYS A 104 -2.896 10.850 -0.580 1.00 0.26 H new ATOM 0 HA LYS A 104 -1.795 9.866 -2.948 1.00 0.33 H new ATOM 0 HB2 LYS A 104 -4.190 10.369 -2.415 1.00 0.32 H new ATOM 0 HB3 LYS A 104 -3.825 12.082 -2.478 1.00 0.32 H new ATOM 0 HG2 LYS A 104 -4.898 11.229 -4.548 1.00 0.53 H new ATOM 0 HG3 LYS A 104 -3.339 11.975 -4.839 1.00 0.53 H new ATOM 0 HD2 LYS A 104 -2.254 9.873 -5.141 1.00 0.93 H new ATOM 0 HD3 LYS A 104 -3.572 8.986 -4.400 1.00 0.93 H new ATOM 0 HE2 LYS A 104 -3.767 10.511 -7.025 1.00 1.15 H new ATOM 0 HE3 LYS A 104 -3.518 8.781 -6.891 1.00 1.15 H new ATOM 0 HZ1 LYS A 104 -5.810 9.124 -7.211 1.00 2.18 H new ATOM 0 HZ2 LYS A 104 -5.635 8.717 -5.572 1.00 2.18 H new ATOM 0 HZ3 LYS A 104 -5.892 10.334 -6.022 1.00 2.18 H new ATOM 1687 N PRO A 105 -1.088 13.097 -2.422 1.00 0.39 N ATOM 1688 CA PRO A 105 -0.123 14.146 -2.779 1.00 0.50 C ATOM 1689 C PRO A 105 1.319 13.844 -2.346 1.00 0.66 C ATOM 1690 O PRO A 105 2.207 14.676 -2.541 1.00 1.25 O ATOM 1691 CB PRO A 105 -0.623 15.390 -2.026 1.00 0.51 C ATOM 1692 CG PRO A 105 -1.959 15.038 -1.462 1.00 0.60 C ATOM 1693 CD PRO A 105 -2.013 13.552 -1.376 1.00 0.35 C ATOM 0 HA PRO A 105 -0.077 14.254 -3.863 1.00 0.50 H new ATOM 0 HB2 PRO A 105 0.071 15.668 -1.233 1.00 0.51 H new ATOM 0 HB3 PRO A 105 -0.699 16.245 -2.698 1.00 0.51 H new ATOM 0 HG2 PRO A 105 -2.093 15.487 -0.478 1.00 0.60 H new ATOM 0 HG3 PRO A 105 -2.759 15.418 -2.098 1.00 0.60 H new ATOM 0 HD2 PRO A 105 -1.706 13.199 -0.392 1.00 0.35 H new ATOM 0 HD3 PRO A 105 -3.023 13.180 -1.548 1.00 0.35 H new ATOM 1701 N PHE A 106 1.561 12.679 -1.749 1.00 0.50 N ATOM 1702 CA PHE A 106 2.905 12.349 -1.266 1.00 0.65 C ATOM 1703 C PHE A 106 3.847 11.976 -2.416 1.00 0.35 C ATOM 1704 O PHE A 106 3.461 11.990 -3.588 1.00 0.68 O ATOM 1705 CB PHE A 106 2.857 11.222 -0.246 1.00 1.19 C ATOM 1706 CG PHE A 106 3.566 11.545 1.041 1.00 2.49 C ATOM 1707 CD1 PHE A 106 4.948 11.498 1.116 1.00 3.00 C ATOM 1708 CD2 PHE A 106 2.853 11.888 2.179 1.00 3.26 C ATOM 1709 CE1 PHE A 106 5.606 11.790 2.295 1.00 4.24 C ATOM 1710 CE2 PHE A 106 3.505 12.181 3.360 1.00 4.50 C ATOM 1711 CZ PHE A 106 4.868 12.152 3.422 1.00 4.99 C ATOM 0 H PHE A 106 0.859 11.957 -1.589 1.00 0.50 H new ATOM 0 HA PHE A 106 3.298 13.244 -0.784 1.00 0.65 H new ATOM 0 HB2 PHE A 106 1.816 10.984 -0.028 1.00 1.19 H new ATOM 0 HB3 PHE A 106 3.303 10.328 -0.683 1.00 1.19 H new ATOM 0 HD1 PHE A 106 5.520 11.229 0.240 1.00 3.00 H new ATOM 0 HD2 PHE A 106 1.774 11.927 2.141 1.00 3.26 H new ATOM 0 HE1 PHE A 106 6.684 11.738 2.344 1.00 4.24 H new ATOM 0 HE2 PHE A 106 2.933 12.435 4.240 1.00 4.50 H new ATOM 0 HZ PHE A 106 5.374 12.409 4.341 1.00 4.99 H new ATOM 1721 N ASP A 107 5.083 11.633 -2.064 1.00 0.40 N ATOM 1722 CA ASP A 107 6.127 11.355 -3.045 1.00 0.37 C ATOM 1723 C ASP A 107 6.122 9.894 -3.463 1.00 0.47 C ATOM 1724 O ASP A 107 5.778 9.011 -2.680 1.00 0.66 O ATOM 1725 CB ASP A 107 7.502 11.703 -2.473 1.00 0.45 C ATOM 1726 CG ASP A 107 7.663 13.175 -2.171 1.00 1.16 C ATOM 1727 OD1 ASP A 107 8.064 13.934 -3.080 1.00 1.67 O ATOM 1728 OD2 ASP A 107 7.389 13.582 -1.025 1.00 1.63 O ATOM 0 H ASP A 107 5.388 11.540 -1.095 1.00 0.40 H new ATOM 0 HA ASP A 107 5.922 11.972 -3.920 1.00 0.37 H new ATOM 0 HB2 ASP A 107 7.664 11.131 -1.560 1.00 0.45 H new ATOM 0 HB3 ASP A 107 8.272 11.397 -3.182 1.00 0.45 H new ATOM 1733 N ILE A 108 6.527 9.652 -4.702 1.00 0.48 N ATOM 1734 CA ILE A 108 6.611 8.300 -5.239 1.00 0.58 C ATOM 1735 C ILE A 108 7.818 7.566 -4.663 1.00 0.50 C ATOM 1736 O ILE A 108 7.722 6.429 -4.200 1.00 0.44 O ATOM 1737 CB ILE A 108 6.711 8.333 -6.775 1.00 0.75 C ATOM 1738 CG1 ILE A 108 5.462 8.992 -7.357 1.00 0.70 C ATOM 1739 CG2 ILE A 108 6.883 6.930 -7.328 1.00 1.04 C ATOM 1740 CD1 ILE A 108 4.199 8.186 -7.151 1.00 1.13 C ATOM 0 H ILE A 108 6.805 10.381 -5.359 1.00 0.48 H new ATOM 0 HA ILE A 108 5.704 7.768 -4.953 1.00 0.58 H new ATOM 0 HB ILE A 108 7.585 8.917 -7.062 1.00 0.75 H new ATOM 0 HG12 ILE A 108 5.334 9.974 -6.902 1.00 0.70 H new ATOM 0 HG13 ILE A 108 5.610 9.152 -8.425 1.00 0.70 H new ATOM 0 HG21 ILE A 108 6.952 6.973 -8.415 1.00 1.04 H new ATOM 0 HG22 ILE A 108 7.794 6.489 -6.924 1.00 1.04 H new ATOM 0 HG23 ILE A 108 6.027 6.319 -7.043 1.00 1.04 H new ATOM 0 HD11 ILE A 108 3.354 8.716 -7.590 1.00 1.13 H new ATOM 0 HD12 ILE A 108 4.306 7.213 -7.630 1.00 1.13 H new ATOM 0 HD13 ILE A 108 4.026 8.048 -6.084 1.00 1.13 H new ATOM 1752 N ASP A 109 8.952 8.241 -4.665 1.00 0.49 N ATOM 1753 CA ASP A 109 10.181 7.676 -4.127 1.00 0.42 C ATOM 1754 C ASP A 109 10.041 7.482 -2.625 1.00 0.34 C ATOM 1755 O ASP A 109 10.665 6.600 -2.042 1.00 0.30 O ATOM 1756 CB ASP A 109 11.365 8.592 -4.450 1.00 0.46 C ATOM 1757 CG ASP A 109 11.315 9.916 -3.715 1.00 0.98 C ATOM 1758 OD1 ASP A 109 10.265 10.594 -3.770 1.00 1.88 O ATOM 1759 OD2 ASP A 109 12.333 10.296 -3.101 1.00 0.89 O ATOM 0 H ASP A 109 9.050 9.187 -5.035 1.00 0.49 H new ATOM 0 HA ASP A 109 10.365 6.705 -4.587 1.00 0.42 H new ATOM 0 HB2 ASP A 109 12.293 8.078 -4.197 1.00 0.46 H new ATOM 0 HB3 ASP A 109 11.388 8.781 -5.523 1.00 0.46 H new ATOM 1764 N GLU A 110 9.190 8.297 -2.012 1.00 0.35 N ATOM 1765 CA GLU A 110 8.858 8.144 -0.604 1.00 0.35 C ATOM 1766 C GLU A 110 7.960 6.929 -0.415 1.00 0.33 C ATOM 1767 O GLU A 110 8.004 6.275 0.615 1.00 0.34 O ATOM 1768 CB GLU A 110 8.137 9.393 -0.089 1.00 0.49 C ATOM 1769 CG GLU A 110 7.852 9.372 1.407 1.00 0.62 C ATOM 1770 CD GLU A 110 9.032 9.861 2.220 1.00 1.15 C ATOM 1771 OE1 GLU A 110 9.309 11.080 2.199 1.00 1.68 O ATOM 1772 OE2 GLU A 110 9.685 9.037 2.890 1.00 1.71 O ATOM 0 H GLU A 110 8.716 9.074 -2.473 1.00 0.35 H new ATOM 0 HA GLU A 110 9.781 8.008 -0.041 1.00 0.35 H new ATOM 0 HB2 GLU A 110 8.741 10.270 -0.321 1.00 0.49 H new ATOM 0 HB3 GLU A 110 7.195 9.504 -0.626 1.00 0.49 H new ATOM 0 HG2 GLU A 110 6.983 9.996 1.619 1.00 0.62 H new ATOM 0 HG3 GLU A 110 7.598 8.357 1.713 1.00 0.62 H new ATOM 1779 N ILE A 111 7.156 6.621 -1.426 1.00 0.34 N ATOM 1780 CA ILE A 111 6.208 5.523 -1.327 1.00 0.33 C ATOM 1781 C ILE A 111 6.949 4.183 -1.356 1.00 0.28 C ATOM 1782 O ILE A 111 6.673 3.296 -0.551 1.00 0.27 O ATOM 1783 CB ILE A 111 5.116 5.616 -2.433 1.00 0.36 C ATOM 1784 CG1 ILE A 111 3.750 5.314 -1.833 1.00 0.61 C ATOM 1785 CG2 ILE A 111 5.382 4.687 -3.609 1.00 0.69 C ATOM 1786 CD1 ILE A 111 3.245 6.395 -0.903 1.00 1.06 C ATOM 0 H ILE A 111 7.143 7.115 -2.319 1.00 0.34 H new ATOM 0 HA ILE A 111 5.688 5.595 -0.372 1.00 0.33 H new ATOM 0 HB ILE A 111 5.141 6.634 -2.822 1.00 0.36 H new ATOM 0 HG12 ILE A 111 3.031 5.175 -2.640 1.00 0.61 H new ATOM 0 HG13 ILE A 111 3.802 4.372 -1.287 1.00 0.61 H new ATOM 0 HG21 ILE A 111 4.587 4.797 -4.347 1.00 0.69 H new ATOM 0 HG22 ILE A 111 6.338 4.942 -4.065 1.00 0.69 H new ATOM 0 HG23 ILE A 111 5.411 3.655 -3.258 1.00 0.69 H new ATOM 0 HD11 ILE A 111 2.267 6.112 -0.513 1.00 1.06 H new ATOM 0 HD12 ILE A 111 3.944 6.519 -0.076 1.00 1.06 H new ATOM 0 HD13 ILE A 111 3.160 7.334 -1.449 1.00 1.06 H new ATOM 1798 N ARG A 112 7.926 4.063 -2.255 1.00 0.27 N ATOM 1799 CA ARG A 112 8.757 2.862 -2.325 1.00 0.24 C ATOM 1800 C ARG A 112 9.709 2.805 -1.132 1.00 0.22 C ATOM 1801 O ARG A 112 9.962 1.740 -0.569 1.00 0.22 O ATOM 1802 CB ARG A 112 9.537 2.822 -3.643 1.00 0.23 C ATOM 1803 CG ARG A 112 10.404 4.046 -3.888 1.00 0.23 C ATOM 1804 CD ARG A 112 11.109 3.963 -5.227 1.00 0.23 C ATOM 1805 NE ARG A 112 12.019 5.085 -5.464 1.00 0.79 N ATOM 1806 CZ ARG A 112 11.939 5.913 -6.500 1.00 0.82 C ATOM 1807 NH1 ARG A 112 10.901 5.856 -7.323 1.00 1.16 N ATOM 1808 NH2 ARG A 112 12.882 6.829 -6.693 1.00 1.39 N ATOM 0 H ARG A 112 8.160 4.780 -2.942 1.00 0.27 H new ATOM 0 HA ARG A 112 8.107 1.988 -2.289 1.00 0.24 H new ATOM 0 HB2 ARG A 112 10.169 1.934 -3.652 1.00 0.23 H new ATOM 0 HB3 ARG A 112 8.831 2.719 -4.467 1.00 0.23 H new ATOM 0 HG2 ARG A 112 9.787 4.944 -3.855 1.00 0.23 H new ATOM 0 HG3 ARG A 112 11.142 4.137 -3.091 1.00 0.23 H new ATOM 0 HD2 ARG A 112 11.670 3.030 -5.279 1.00 0.23 H new ATOM 0 HD3 ARG A 112 10.364 3.932 -6.022 1.00 0.23 H new ATOM 0 HE ARG A 112 12.766 5.242 -4.787 1.00 0.79 H new ATOM 0 HH11 ARG A 112 10.159 5.174 -7.162 1.00 1.16 H new ATOM 0 HH12 ARG A 112 10.844 6.494 -8.117 1.00 1.16 H new ATOM 0 HH21 ARG A 112 13.667 6.897 -6.046 1.00 1.39 H new ATOM 0 HH22 ARG A 112 12.820 7.465 -7.488 1.00 1.39 H new ATOM 1822 N ASP A 113 10.219 3.969 -0.741 1.00 0.23 N ATOM 1823 CA ASP A 113 11.113 4.076 0.406 1.00 0.24 C ATOM 1824 C ASP A 113 10.398 3.652 1.691 1.00 0.25 C ATOM 1825 O ASP A 113 10.911 2.854 2.484 1.00 0.26 O ATOM 1826 CB ASP A 113 11.618 5.515 0.535 1.00 0.28 C ATOM 1827 CG ASP A 113 12.739 5.662 1.546 1.00 0.39 C ATOM 1828 OD1 ASP A 113 13.922 5.531 1.153 1.00 0.58 O ATOM 1829 OD2 ASP A 113 12.451 5.927 2.729 1.00 0.43 O ATOM 0 H ASP A 113 10.026 4.856 -1.205 1.00 0.23 H new ATOM 0 HA ASP A 113 11.961 3.409 0.251 1.00 0.24 H new ATOM 0 HB2 ASP A 113 11.967 5.860 -0.438 1.00 0.28 H new ATOM 0 HB3 ASP A 113 10.789 6.161 0.824 1.00 0.28 H new ATOM 1834 N ALA A 114 9.200 4.172 1.878 1.00 0.26 N ATOM 1835 CA ALA A 114 8.416 3.865 3.056 1.00 0.28 C ATOM 1836 C ALA A 114 8.079 2.386 3.119 1.00 0.28 C ATOM 1837 O ALA A 114 8.312 1.742 4.136 1.00 0.32 O ATOM 1838 CB ALA A 114 7.143 4.685 3.078 1.00 0.35 C ATOM 0 H ALA A 114 8.748 4.812 1.225 1.00 0.26 H new ATOM 0 HA ALA A 114 9.017 4.119 3.929 1.00 0.28 H new ATOM 0 HB1 ALA A 114 6.568 4.440 3.971 1.00 0.35 H new ATOM 0 HB2 ALA A 114 7.394 5.746 3.088 1.00 0.35 H new ATOM 0 HB3 ALA A 114 6.550 4.460 2.191 1.00 0.35 H new ATOM 1844 N VAL A 115 7.545 1.843 2.028 1.00 0.27 N ATOM 1845 CA VAL A 115 7.112 0.454 2.037 1.00 0.29 C ATOM 1846 C VAL A 115 8.277 -0.499 2.261 1.00 0.30 C ATOM 1847 O VAL A 115 8.103 -1.508 2.920 1.00 0.35 O ATOM 1848 CB VAL A 115 6.350 0.043 0.764 1.00 0.34 C ATOM 1849 CG1 VAL A 115 5.054 0.825 0.643 1.00 0.37 C ATOM 1850 CG2 VAL A 115 7.211 0.219 -0.471 1.00 0.33 C ATOM 0 H VAL A 115 7.405 2.334 1.145 1.00 0.27 H new ATOM 0 HA VAL A 115 6.418 0.379 2.874 1.00 0.29 H new ATOM 0 HB VAL A 115 6.103 -1.016 0.844 1.00 0.34 H new ATOM 0 HG11 VAL A 115 4.529 0.521 -0.263 1.00 0.37 H new ATOM 0 HG12 VAL A 115 4.426 0.625 1.511 1.00 0.37 H new ATOM 0 HG13 VAL A 115 5.276 1.891 0.594 1.00 0.37 H new ATOM 0 HG21 VAL A 115 6.646 -0.079 -1.354 1.00 0.33 H new ATOM 0 HG22 VAL A 115 7.504 1.265 -0.564 1.00 0.33 H new ATOM 0 HG23 VAL A 115 8.103 -0.402 -0.384 1.00 0.33 H new ATOM 1860 N LYS A 116 9.463 -0.176 1.745 1.00 0.29 N ATOM 1861 CA LYS A 116 10.622 -1.044 1.955 1.00 0.33 C ATOM 1862 C LYS A 116 11.063 -1.014 3.411 1.00 0.32 C ATOM 1863 O LYS A 116 11.645 -1.973 3.915 1.00 0.40 O ATOM 1864 CB LYS A 116 11.799 -0.639 1.075 1.00 0.44 C ATOM 1865 CG LYS A 116 12.433 0.675 1.471 1.00 0.50 C ATOM 1866 CD LYS A 116 13.461 1.130 0.461 1.00 0.70 C ATOM 1867 CE LYS A 116 14.164 2.380 0.941 1.00 0.97 C ATOM 1868 NZ LYS A 116 14.959 3.027 -0.135 1.00 1.48 N ATOM 0 H LYS A 116 9.645 0.661 1.191 1.00 0.29 H new ATOM 0 HA LYS A 116 10.312 -2.053 1.684 1.00 0.33 H new ATOM 0 HB2 LYS A 116 12.556 -1.423 1.113 1.00 0.44 H new ATOM 0 HB3 LYS A 116 11.461 -0.572 0.041 1.00 0.44 H new ATOM 0 HG2 LYS A 116 11.659 1.436 1.570 1.00 0.50 H new ATOM 0 HG3 LYS A 116 12.905 0.571 2.448 1.00 0.50 H new ATOM 0 HD2 LYS A 116 14.191 0.337 0.295 1.00 0.70 H new ATOM 0 HD3 LYS A 116 12.977 1.324 -0.496 1.00 0.70 H new ATOM 0 HE2 LYS A 116 13.426 3.087 1.320 1.00 0.97 H new ATOM 0 HE3 LYS A 116 14.821 2.128 1.774 1.00 0.97 H new ATOM 0 HZ1 LYS A 116 14.870 4.060 -0.059 1.00 1.48 H new ATOM 0 HZ2 LYS A 116 15.959 2.758 -0.038 1.00 1.48 H new ATOM 0 HZ3 LYS A 116 14.606 2.716 -1.062 1.00 1.48 H new ATOM 1882 N LYS A 117 10.831 0.107 4.078 1.00 0.28 N ATOM 1883 CA LYS A 117 11.184 0.221 5.483 1.00 0.31 C ATOM 1884 C LYS A 117 10.049 -0.277 6.378 1.00 0.33 C ATOM 1885 O LYS A 117 10.227 -0.468 7.583 1.00 0.46 O ATOM 1886 CB LYS A 117 11.553 1.665 5.815 1.00 0.39 C ATOM 1887 CG LYS A 117 12.732 2.190 5.000 1.00 0.55 C ATOM 1888 CD LYS A 117 13.965 1.306 5.141 1.00 1.00 C ATOM 1889 CE LYS A 117 14.425 1.181 6.583 1.00 1.77 C ATOM 1890 NZ LYS A 117 15.570 0.241 6.714 1.00 2.58 N ATOM 0 H LYS A 117 10.405 0.941 3.674 1.00 0.28 H new ATOM 0 HA LYS A 117 12.051 -0.411 5.674 1.00 0.31 H new ATOM 0 HB2 LYS A 117 10.687 2.303 5.640 1.00 0.39 H new ATOM 0 HB3 LYS A 117 11.793 1.737 6.876 1.00 0.39 H new ATOM 0 HG2 LYS A 117 12.448 2.250 3.949 1.00 0.55 H new ATOM 0 HG3 LYS A 117 12.973 3.203 5.323 1.00 0.55 H new ATOM 0 HD2 LYS A 117 13.745 0.314 4.745 1.00 1.00 H new ATOM 0 HD3 LYS A 117 14.775 1.717 4.538 1.00 1.00 H new ATOM 0 HE2 LYS A 117 14.714 2.162 6.959 1.00 1.77 H new ATOM 0 HE3 LYS A 117 13.597 0.834 7.201 1.00 1.77 H new ATOM 0 HZ1 LYS A 117 15.857 0.181 7.712 1.00 2.58 H new ATOM 0 HZ2 LYS A 117 15.286 -0.701 6.378 1.00 2.58 H new ATOM 0 HZ3 LYS A 117 16.369 0.585 6.144 1.00 2.58 H new ATOM 1904 N TYR A 118 8.884 -0.479 5.781 1.00 0.29 N ATOM 1905 CA TYR A 118 7.740 -1.054 6.481 1.00 0.37 C ATOM 1906 C TYR A 118 7.639 -2.547 6.218 1.00 0.39 C ATOM 1907 O TYR A 118 7.825 -3.363 7.121 1.00 0.50 O ATOM 1908 CB TYR A 118 6.452 -0.365 6.055 1.00 0.41 C ATOM 1909 CG TYR A 118 6.132 0.876 6.859 1.00 0.48 C ATOM 1910 CD1 TYR A 118 5.709 0.773 8.178 1.00 0.63 C ATOM 1911 CD2 TYR A 118 6.246 2.145 6.305 1.00 0.54 C ATOM 1912 CE1 TYR A 118 5.411 1.898 8.922 1.00 0.71 C ATOM 1913 CE2 TYR A 118 5.949 3.274 7.042 1.00 0.63 C ATOM 1914 CZ TYR A 118 5.532 3.146 8.349 1.00 0.67 C ATOM 1915 OH TYR A 118 5.230 4.270 9.085 1.00 0.77 O ATOM 0 H TYR A 118 8.703 -0.251 4.803 1.00 0.29 H new ATOM 0 HA TYR A 118 7.888 -0.898 7.550 1.00 0.37 H new ATOM 0 HB2 TYR A 118 6.526 -0.096 5.001 1.00 0.41 H new ATOM 0 HB3 TYR A 118 5.626 -1.070 6.147 1.00 0.41 H new ATOM 0 HD1 TYR A 118 5.611 -0.203 8.630 1.00 0.63 H new ATOM 0 HD2 TYR A 118 6.572 2.250 5.281 1.00 0.54 H new ATOM 0 HE1 TYR A 118 5.085 1.800 9.947 1.00 0.71 H new ATOM 0 HE2 TYR A 118 6.043 4.253 6.596 1.00 0.63 H new ATOM 0 HH TYR A 118 5.369 5.069 8.534 1.00 0.77 H new ATOM 1925 N LEU A 119 7.322 -2.892 4.983 1.00 0.33 N ATOM 1926 CA LEU A 119 7.364 -4.275 4.536 1.00 0.36 C ATOM 1927 C LEU A 119 8.641 -4.469 3.733 1.00 0.39 C ATOM 1928 O LEU A 119 8.691 -4.175 2.538 1.00 0.40 O ATOM 1929 CB LEU A 119 6.130 -4.634 3.679 1.00 0.37 C ATOM 1930 CG LEU A 119 5.972 -6.125 3.314 1.00 0.59 C ATOM 1931 CD1 LEU A 119 6.669 -6.458 1.995 1.00 1.15 C ATOM 1932 CD2 LEU A 119 6.507 -7.009 4.436 1.00 1.37 C ATOM 0 H LEU A 119 7.030 -2.228 4.266 1.00 0.33 H new ATOM 0 HA LEU A 119 7.351 -4.936 5.403 1.00 0.36 H new ATOM 0 HB2 LEU A 119 5.235 -4.314 4.213 1.00 0.37 H new ATOM 0 HB3 LEU A 119 6.173 -4.057 2.755 1.00 0.37 H new ATOM 0 HG LEU A 119 4.908 -6.323 3.186 1.00 0.59 H new ATOM 0 HD11 LEU A 119 6.536 -7.516 1.770 1.00 1.15 H new ATOM 0 HD12 LEU A 119 6.236 -5.860 1.193 1.00 1.15 H new ATOM 0 HD13 LEU A 119 7.733 -6.235 2.079 1.00 1.15 H new ATOM 0 HD21 LEU A 119 6.388 -8.057 4.162 1.00 1.37 H new ATOM 0 HD22 LEU A 119 7.563 -6.794 4.596 1.00 1.37 H new ATOM 0 HD23 LEU A 119 5.953 -6.808 5.353 1.00 1.37 H new ATOM 1944 N PRO A 120 9.700 -4.949 4.381 1.00 0.48 N ATOM 1945 CA PRO A 120 10.988 -5.092 3.767 1.00 0.56 C ATOM 1946 C PRO A 120 11.172 -6.463 3.143 1.00 0.53 C ATOM 1947 O PRO A 120 10.526 -7.436 3.538 1.00 0.61 O ATOM 1948 CB PRO A 120 11.950 -4.856 4.939 1.00 0.68 C ATOM 1949 CG PRO A 120 11.115 -4.901 6.182 1.00 0.67 C ATOM 1950 CD PRO A 120 9.758 -5.385 5.763 1.00 0.55 C ATOM 0 HA PRO A 120 11.147 -4.402 2.938 1.00 0.56 H new ATOM 0 HB2 PRO A 120 12.727 -5.620 4.964 1.00 0.68 H new ATOM 0 HB3 PRO A 120 12.452 -3.893 4.842 1.00 0.68 H new ATOM 0 HG2 PRO A 120 11.555 -5.570 6.921 1.00 0.67 H new ATOM 0 HG3 PRO A 120 11.051 -3.915 6.643 1.00 0.67 H new ATOM 0 HD2 PRO A 120 9.664 -6.467 5.854 1.00 0.55 H new ATOM 0 HD3 PRO A 120 8.963 -4.944 6.364 1.00 0.55 H new ATOM 1958 N LEU A 121 12.061 -6.535 2.170 1.00 0.57 N ATOM 1959 CA LEU A 121 12.134 -7.701 1.313 1.00 0.49 C ATOM 1960 C LEU A 121 13.436 -7.750 0.513 1.00 0.53 C ATOM 1961 O LEU A 121 13.957 -8.831 0.236 1.00 0.56 O ATOM 1962 CB LEU A 121 10.895 -7.726 0.390 1.00 0.50 C ATOM 1963 CG LEU A 121 10.779 -6.654 -0.724 1.00 0.69 C ATOM 1964 CD1 LEU A 121 9.340 -6.548 -1.176 1.00 1.11 C ATOM 1965 CD2 LEU A 121 11.260 -5.275 -0.301 1.00 1.31 C ATOM 0 H LEU A 121 12.739 -5.804 1.955 1.00 0.57 H new ATOM 0 HA LEU A 121 12.135 -8.594 1.938 1.00 0.49 H new ATOM 0 HB2 LEU A 121 10.857 -8.705 -0.087 1.00 0.50 H new ATOM 0 HB3 LEU A 121 10.010 -7.645 1.021 1.00 0.50 H new ATOM 0 HG LEU A 121 11.429 -6.985 -1.534 1.00 0.69 H new ATOM 0 HD11 LEU A 121 9.259 -5.794 -1.959 1.00 1.11 H new ATOM 0 HD12 LEU A 121 9.009 -7.511 -1.564 1.00 1.11 H new ATOM 0 HD13 LEU A 121 8.713 -6.262 -0.331 1.00 1.11 H new ATOM 0 HD21 LEU A 121 11.148 -4.580 -1.133 1.00 1.31 H new ATOM 0 HD22 LEU A 121 10.668 -4.927 0.545 1.00 1.31 H new ATOM 0 HD23 LEU A 121 12.310 -5.329 -0.012 1.00 1.31 H new ATOM 1977 N LYS A 122 13.967 -6.580 0.159 1.00 0.66 N ATOM 1978 CA LYS A 122 15.162 -6.490 -0.682 1.00 0.81 C ATOM 1979 C LYS A 122 15.666 -5.051 -0.784 1.00 0.91 C ATOM 1980 O LYS A 122 16.869 -4.811 -0.845 1.00 1.48 O ATOM 1981 CB LYS A 122 14.911 -7.054 -2.092 1.00 0.86 C ATOM 1982 CG LYS A 122 13.450 -7.060 -2.512 1.00 0.90 C ATOM 1983 CD LYS A 122 13.216 -6.402 -3.863 1.00 1.25 C ATOM 1984 CE LYS A 122 13.439 -4.902 -3.803 1.00 2.49 C ATOM 1985 NZ LYS A 122 14.879 -4.529 -3.840 1.00 3.48 N ATOM 0 H LYS A 122 13.587 -5.677 0.443 1.00 0.66 H new ATOM 0 HA LYS A 122 15.929 -7.097 -0.200 1.00 0.81 H new ATOM 0 HB2 LYS A 122 15.482 -6.468 -2.812 1.00 0.86 H new ATOM 0 HB3 LYS A 122 15.294 -8.074 -2.136 1.00 0.86 H new ATOM 0 HG2 LYS A 122 13.093 -8.089 -2.549 1.00 0.90 H new ATOM 0 HG3 LYS A 122 12.858 -6.544 -1.756 1.00 0.90 H new ATOM 0 HD2 LYS A 122 13.886 -6.840 -4.602 1.00 1.25 H new ATOM 0 HD3 LYS A 122 12.198 -6.606 -4.196 1.00 1.25 H new ATOM 0 HE2 LYS A 122 12.925 -4.430 -4.640 1.00 2.49 H new ATOM 0 HE3 LYS A 122 12.990 -4.509 -2.891 1.00 2.49 H new ATOM 0 HZ1 LYS A 122 15.149 -4.097 -2.933 1.00 3.48 H new ATOM 0 HZ2 LYS A 122 15.454 -5.380 -4.003 1.00 3.48 H new ATOM 0 HZ3 LYS A 122 15.042 -3.849 -4.610 1.00 3.48 H new ATOM 1999 N SER A 123 14.741 -4.098 -0.828 1.00 0.88 N ATOM 2000 CA SER A 123 15.107 -2.688 -0.956 1.00 1.01 C ATOM 2001 C SER A 123 15.744 -2.153 0.319 1.00 1.85 C ATOM 2002 O SER A 123 15.089 -2.022 1.354 1.00 2.57 O ATOM 2003 CB SER A 123 13.889 -1.838 -1.320 1.00 0.45 C ATOM 2004 OG SER A 123 13.473 -2.086 -2.649 1.00 1.46 O ATOM 0 H SER A 123 13.737 -4.272 -0.777 1.00 0.88 H new ATOM 0 HA SER A 123 15.841 -2.621 -1.759 1.00 1.01 H new ATOM 0 HB2 SER A 123 13.071 -2.056 -0.633 1.00 0.45 H new ATOM 0 HB3 SER A 123 14.131 -0.782 -1.203 1.00 0.45 H new ATOM 0 HG SER A 123 12.494 -2.062 -2.695 1.00 1.46 H new ATOM 2010 N ASN A 124 17.025 -1.848 0.227 1.00 2.28 N ATOM 2011 CA ASN A 124 17.762 -1.250 1.327 1.00 3.08 C ATOM 2012 C ASN A 124 18.571 -0.076 0.802 1.00 2.75 C ATOM 2013 O ASN A 124 18.708 0.091 -0.413 1.00 3.08 O ATOM 2014 CB ASN A 124 18.677 -2.280 2.013 1.00 3.98 C ATOM 2015 CG ASN A 124 19.669 -2.942 1.070 1.00 4.66 C ATOM 2016 OD1 ASN A 124 20.139 -2.344 0.101 1.00 4.91 O ATOM 2017 ND2 ASN A 124 19.993 -4.191 1.349 1.00 5.31 N ATOM 0 H ASN A 124 17.584 -2.007 -0.611 1.00 2.28 H new ATOM 0 HA ASN A 124 17.054 -0.898 2.077 1.00 3.08 H new ATOM 0 HB2 ASN A 124 19.226 -1.787 2.816 1.00 3.98 H new ATOM 0 HB3 ASN A 124 18.059 -3.050 2.475 1.00 3.98 H new ATOM 0 HD21 ASN A 124 20.652 -4.692 0.753 1.00 5.31 H new ATOM 0 HD22 ASN A 124 19.584 -4.655 2.160 1.00 5.31 H new ATOM 2024 N LEU A 125 19.095 0.738 1.699 1.00 2.71 N ATOM 2025 CA LEU A 125 19.870 1.898 1.301 1.00 2.92 C ATOM 2026 C LEU A 125 20.587 2.467 2.512 1.00 3.81 C ATOM 2027 O LEU A 125 20.143 3.440 3.120 1.00 4.44 O ATOM 2028 CB LEU A 125 18.963 2.950 0.647 1.00 3.28 C ATOM 2029 CG LEU A 125 19.683 4.085 -0.083 1.00 3.91 C ATOM 2030 CD1 LEU A 125 20.606 3.530 -1.158 1.00 3.88 C ATOM 2031 CD2 LEU A 125 18.673 5.043 -0.694 1.00 4.47 C ATOM 0 H LEU A 125 18.998 0.618 2.707 1.00 2.71 H new ATOM 0 HA LEU A 125 20.615 1.601 0.563 1.00 2.92 H new ATOM 0 HB2 LEU A 125 18.306 2.446 -0.062 1.00 3.28 H new ATOM 0 HB3 LEU A 125 18.327 3.385 1.418 1.00 3.28 H new ATOM 0 HG LEU A 125 20.289 4.631 0.640 1.00 3.91 H new ATOM 0 HD11 LEU A 125 21.109 4.353 -1.666 1.00 3.88 H new ATOM 0 HD12 LEU A 125 21.349 2.879 -0.698 1.00 3.88 H new ATOM 0 HD13 LEU A 125 20.022 2.960 -1.881 1.00 3.88 H new ATOM 0 HD21 LEU A 125 19.199 5.846 -1.210 1.00 4.47 H new ATOM 0 HD22 LEU A 125 18.045 4.505 -1.404 1.00 4.47 H new ATOM 0 HD23 LEU A 125 18.050 5.466 0.094 1.00 4.47 H new ATOM 2043 N GLU A 126 21.682 1.823 2.875 1.00 4.28 N ATOM 2044 CA GLU A 126 22.409 2.184 4.075 1.00 5.31 C ATOM 2045 C GLU A 126 23.472 3.230 3.761 1.00 5.99 C ATOM 2046 O GLU A 126 24.479 2.934 3.114 1.00 6.61 O ATOM 2047 CB GLU A 126 23.047 0.940 4.691 1.00 5.89 C ATOM 2048 CG GLU A 126 22.091 -0.242 4.803 1.00 6.05 C ATOM 2049 CD GLU A 126 20.813 0.100 5.550 1.00 6.47 C ATOM 2050 OE1 GLU A 126 20.861 0.237 6.795 1.00 6.75 O ATOM 2051 OE2 GLU A 126 19.760 0.251 4.893 1.00 6.82 O ATOM 0 H GLU A 126 22.087 1.046 2.353 1.00 4.28 H new ATOM 0 HA GLU A 126 21.711 2.613 4.794 1.00 5.31 H new ATOM 0 HB2 GLU A 126 23.906 0.646 4.089 1.00 5.89 H new ATOM 0 HB3 GLU A 126 23.423 1.188 5.683 1.00 5.89 H new ATOM 0 HG2 GLU A 126 21.838 -0.594 3.803 1.00 6.05 H new ATOM 0 HG3 GLU A 126 22.595 -1.063 5.312 1.00 6.05 H new ATOM 2058 N HIS A 127 23.228 4.455 4.204 1.00 6.21 N ATOM 2059 CA HIS A 127 24.156 5.555 3.983 1.00 7.10 C ATOM 2060 C HIS A 127 25.074 5.731 5.181 1.00 7.49 C ATOM 2061 O HIS A 127 24.740 5.330 6.296 1.00 7.83 O ATOM 2062 CB HIS A 127 23.400 6.862 3.736 1.00 7.63 C ATOM 2063 CG HIS A 127 22.613 6.882 2.463 1.00 7.94 C ATOM 2064 ND1 HIS A 127 21.251 7.093 2.421 1.00 8.28 N ATOM 2065 CD2 HIS A 127 23.008 6.742 1.176 1.00 8.27 C ATOM 2066 CE1 HIS A 127 20.846 7.084 1.168 1.00 8.76 C ATOM 2067 NE2 HIS A 127 21.890 6.874 0.391 1.00 8.77 N ATOM 0 H HIS A 127 22.388 4.713 4.723 1.00 6.21 H new ATOM 0 HA HIS A 127 24.752 5.313 3.103 1.00 7.10 H new ATOM 0 HB2 HIS A 127 22.723 7.041 4.572 1.00 7.63 H new ATOM 0 HB3 HIS A 127 24.114 7.685 3.722 1.00 7.63 H new ATOM 0 HD2 HIS A 127 24.015 6.560 0.831 1.00 8.27 H new ATOM 0 HE1 HIS A 127 19.829 7.225 0.833 1.00 8.76 H new ATOM 0 HE2 HIS A 127 21.870 6.819 -0.627 1.00 8.77 H new ATOM 2076 N HIS A 128 26.228 6.329 4.945 1.00 7.74 N ATOM 2077 CA HIS A 128 27.163 6.650 6.012 1.00 8.41 C ATOM 2078 C HIS A 128 27.838 7.976 5.706 1.00 9.21 C ATOM 2079 O HIS A 128 27.532 8.998 6.322 1.00 9.70 O ATOM 2080 CB HIS A 128 28.218 5.552 6.185 1.00 8.47 C ATOM 2081 CG HIS A 128 27.683 4.275 6.750 1.00 8.68 C ATOM 2082 ND1 HIS A 128 27.729 3.074 6.077 1.00 9.02 N ATOM 2083 CD2 HIS A 128 27.092 4.015 7.939 1.00 8.89 C ATOM 2084 CE1 HIS A 128 27.188 2.132 6.825 1.00 9.40 C ATOM 2085 NE2 HIS A 128 26.793 2.676 7.961 1.00 9.33 N ATOM 0 H HIS A 128 26.543 6.605 4.015 1.00 7.74 H new ATOM 0 HA HIS A 128 26.606 6.723 6.946 1.00 8.41 H new ATOM 0 HB2 HIS A 128 28.674 5.345 5.217 1.00 8.47 H new ATOM 0 HB3 HIS A 128 29.009 5.922 6.837 1.00 8.47 H new ATOM 0 HD2 HIS A 128 26.893 4.729 8.725 1.00 8.89 H new ATOM 0 HE1 HIS A 128 27.086 1.092 6.554 1.00 9.40 H new ATOM 0 HE2 HIS A 128 26.340 2.182 8.730 1.00 9.33 H new ATOM 2094 N HIS A 129 28.735 7.960 4.726 1.00 9.53 N ATOM 2095 CA HIS A 129 29.418 9.171 4.299 1.00 10.45 C ATOM 2096 C HIS A 129 30.136 8.957 2.969 1.00 11.28 C ATOM 2097 O HIS A 129 30.845 7.969 2.786 1.00 11.64 O ATOM 2098 CB HIS A 129 30.414 9.652 5.370 1.00 10.64 C ATOM 2099 CG HIS A 129 31.622 8.775 5.560 1.00 10.93 C ATOM 2100 ND1 HIS A 129 31.681 7.756 6.485 1.00 11.11 N ATOM 2101 CD2 HIS A 129 32.825 8.779 4.935 1.00 11.31 C ATOM 2102 CE1 HIS A 129 32.863 7.171 6.420 1.00 11.56 C ATOM 2103 NE2 HIS A 129 33.573 7.774 5.487 1.00 11.69 N ATOM 0 H HIS A 129 29.005 7.120 4.214 1.00 9.53 H new ATOM 0 HA HIS A 129 28.661 9.943 4.161 1.00 10.45 H new ATOM 0 HB2 HIS A 129 30.750 10.655 5.106 1.00 10.64 H new ATOM 0 HB3 HIS A 129 29.889 9.732 6.322 1.00 10.64 H new ATOM 0 HD2 HIS A 129 33.136 9.450 4.148 1.00 11.31 H new ATOM 0 HE1 HIS A 129 33.192 6.341 7.027 1.00 11.56 H new ATOM 0 HE2 HIS A 129 34.527 7.531 5.219 1.00 11.69 H new ATOM 2112 N HIS A 130 29.919 9.869 2.034 1.00 11.74 N ATOM 2113 CA HIS A 130 30.694 9.893 0.802 1.00 12.72 C ATOM 2114 C HIS A 130 32.074 10.462 1.114 1.00 13.52 C ATOM 2115 O HIS A 130 33.101 9.848 0.831 1.00 14.05 O ATOM 2116 CB HIS A 130 29.980 10.740 -0.262 1.00 13.16 C ATOM 2117 CG HIS A 130 30.612 10.696 -1.626 1.00 14.01 C ATOM 2118 ND1 HIS A 130 30.167 11.466 -2.678 1.00 14.69 N ATOM 2119 CD2 HIS A 130 31.644 9.963 -2.112 1.00 14.45 C ATOM 2120 CE1 HIS A 130 30.896 11.211 -3.748 1.00 15.46 C ATOM 2121 NE2 HIS A 130 31.798 10.305 -3.431 1.00 15.34 N ATOM 0 H HIS A 130 29.213 10.602 2.104 1.00 11.74 H new ATOM 0 HA HIS A 130 30.797 8.884 0.404 1.00 12.72 H new ATOM 0 HB2 HIS A 130 28.947 10.402 -0.344 1.00 13.16 H new ATOM 0 HB3 HIS A 130 29.950 11.776 0.077 1.00 13.16 H new ATOM 0 HD2 HIS A 130 32.234 9.244 -1.563 1.00 14.45 H new ATOM 0 HE1 HIS A 130 30.774 11.668 -4.719 1.00 15.46 H new ATOM 0 HE2 HIS A 130 32.498 9.920 -4.065 1.00 15.34 H new ATOM 2130 N HIS A 131 32.072 11.645 1.705 1.00 13.72 N ATOM 2131 CA HIS A 131 33.282 12.245 2.248 1.00 14.59 C ATOM 2132 C HIS A 131 32.927 13.052 3.494 1.00 15.07 C ATOM 2133 O HIS A 131 33.737 13.202 4.405 1.00 15.27 O ATOM 2134 CB HIS A 131 33.976 13.130 1.209 1.00 15.06 C ATOM 2135 CG HIS A 131 35.265 13.729 1.694 1.00 15.47 C ATOM 2136 ND1 HIS A 131 36.463 13.048 1.691 1.00 15.96 N ATOM 2137 CD2 HIS A 131 35.532 14.950 2.210 1.00 15.61 C ATOM 2138 CE1 HIS A 131 37.407 13.826 2.183 1.00 16.33 C ATOM 2139 NE2 HIS A 131 36.871 14.986 2.508 1.00 16.15 N ATOM 0 H HIS A 131 31.235 12.216 1.822 1.00 13.72 H new ATOM 0 HA HIS A 131 33.979 11.452 2.517 1.00 14.59 H new ATOM 0 HB2 HIS A 131 34.174 12.539 0.315 1.00 15.06 H new ATOM 0 HB3 HIS A 131 33.299 13.933 0.918 1.00 15.06 H new ATOM 0 HD2 HIS A 131 34.822 15.750 2.360 1.00 15.61 H new ATOM 0 HE1 HIS A 131 38.447 13.558 2.300 1.00 16.33 H new ATOM 0 HE2 HIS A 131 37.369 15.778 2.914 1.00 16.15 H new ATOM 2148 N HIS A 132 31.710 13.584 3.510 1.00 15.42 N ATOM 2149 CA HIS A 132 31.162 14.238 4.690 1.00 16.00 C ATOM 2150 C HIS A 132 29.707 13.833 4.877 1.00 16.33 C ATOM 2151 O HIS A 132 28.817 14.584 4.428 1.00 16.74 O ATOM 2152 CB HIS A 132 31.274 15.761 4.589 1.00 16.60 C ATOM 2153 CG HIS A 132 32.547 16.307 5.156 1.00 16.62 C ATOM 2154 ND1 HIS A 132 33.312 17.259 4.520 1.00 17.09 N ATOM 2155 CD2 HIS A 132 33.172 16.050 6.327 1.00 16.39 C ATOM 2156 CE1 HIS A 132 34.351 17.561 5.274 1.00 17.15 C ATOM 2157 NE2 HIS A 132 34.291 16.843 6.380 1.00 16.73 N ATOM 2158 OXT HIS A 132 29.463 12.755 5.447 1.00 16.29 O ATOM 0 H HIS A 132 31.079 13.574 2.709 1.00 15.42 H new ATOM 0 HA HIS A 132 31.743 13.917 5.554 1.00 16.00 H new ATOM 0 HB2 HIS A 132 31.197 16.054 3.542 1.00 16.60 H new ATOM 0 HB3 HIS A 132 30.430 16.214 5.109 1.00 16.60 H new ATOM 0 HD2 HIS A 132 32.850 15.349 7.083 1.00 16.39 H new ATOM 0 HE1 HIS A 132 35.122 18.276 5.028 1.00 17.15 H new ATOM 0 HE2 HIS A 132 34.964 16.873 7.146 1.00 16.73 H new TER 2167 HIS A 132