USER MOD reduce.3.24.130724 H: found=0, std=0, add=1086, rem=0, adj=29 USER MOD reduce.3.24.130724 removed 1081 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 58 GLN : amide:sc= -0.152 X(o=-0.15,f=-0.0019) USER MOD Set 1.2: A 62 HIS : no HD1:sc=-0.00194 X(o=-0.15,f=-0.46) USER MOD Single : A 1 GLU N :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 5 HIS : no HD1:sc= -0.126 X(o=-0.13,f=-0.34) USER MOD Single : A 6 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 10 THR OG1 : rot -170:sc= -1.29 USER MOD Single : A 12 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 16 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 17 THR OG1 : rot 88:sc= 1.26 USER MOD Single : A 19 ASN : amide:sc= -0.981 K(o=-0.98,f=-1.9) USER MOD Single : A 20 SER OG : rot -170:sc= -0.0546 USER MOD Single : A 22 THR OG1 : rot 180:sc= 0 USER MOD Single : A 24 GLN : amide:sc= -0.153 X(o=-0.15,f=-0.62) USER MOD Single : A 25 LYS NZ :NH3+ 142:sc= -0.329 (180deg=-2.02!) USER MOD Single : A 26 THR OG1 : rot -20:sc= 0.74 USER MOD Single : A 29 THR OG1 : rot 123:sc= -3.24 USER MOD Single : A 32 THR OG1 : rot 180:sc= 0 USER MOD Single : A 34 THR OG1 : rot 180:sc= -0.0892 USER MOD Single : A 40 SER OG : rot 180:sc= 0 USER MOD Single : A 41 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 43 THR OG1 : rot 180:sc= 0.0195 USER MOD Single : A 44 THR OG1 : rot 71:sc= 0.0281 USER MOD Single : A 46 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 48 THR OG1 : rot 102:sc= 1.21 USER MOD Single : A 54 THR OG1 : rot -150:sc=-0.00405 USER MOD Single : A 60 TYR OH : rot 180:sc= 0 USER MOD Single : A 61 SER OG : rot 87:sc= 1.22 USER MOD Single : A 63 HIS : no HE2:sc= -1.47 K(o=-1.5,f=-2.3) USER MOD Single : A 65 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 67 THR OG1 : rot 180:sc= 0 USER MOD Single : A 73 THR OG1 : rot 180:sc= -0.09 USER MOD Single : A 75 GLN : amide:sc= -0.133 K(o=-0.13,f=-0.79) USER MOD Single : A 76 GLN : amide:sc= -0.123 K(o=-0.12,f=-1.8!) USER MOD Single : A 78 HIS : no HD1:sc= -0.172 K(o=-0.17,f=-0.82) USER MOD Single : A 80 HIS : no HD1:sc= 0.709 K(o=0.71,f=-4!) USER MOD Single : A 81 LYS NZ :NH3+ -148:sc= -0.146 (180deg=-0.812) USER MOD Single : A 82 GLN : amide:sc= 0 X(o=0,f=-0.013) USER MOD Single : A 88 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 93 ASN : amide:sc= -1.36 K(o=-1.4,f=-4!) USER MOD Single : A 101 ASN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 102 SER OG : rot 180:sc= 0.00606 USER MOD Single : A 106 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 110 GLN : amide:sc= -0.326 X(o=-0.33,f=0) USER MOD Single : A 111 SER OG : rot -173:sc= 0.897 USER MOD Single : A 112 THR OG1 : rot 180:sc= 0 USER MOD Single : A 115 ASN : amide:sc= -0.303 X(o=-0.3,f=-0.024) USER MOD Single : A 121 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 122 THR OG1 : rot -145:sc= -1.57 USER MOD Single : A 124 MET CE :methyl -105:sc= -8.99! (180deg=-11.1!) USER MOD Single : A 127 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 128 TYR OH : rot -142:sc= 0.0106 USER MOD Single : A 129 SER OG : rot 180:sc= 0 USER MOD Single : A 130 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 132 SER OG : rot 180:sc= 0 USER MOD Single : A 133 SER OG : rot 180:sc= 0 USER MOD ----------------------------------------------------------------- ATOM 1 N GLU A 1 -19.273 12.970 8.065 1.00 3.96 N ATOM 2 CA GLU A 1 -18.688 11.807 8.789 1.00 5.31 C ATOM 3 C GLU A 1 -19.528 11.504 10.032 1.00 5.63 C ATOM 4 O GLU A 1 -19.270 12.012 11.105 1.00 6.08 O ATOM 5 CB GLU A 1 -17.254 12.138 9.211 1.00 5.93 C ATOM 6 CG GLU A 1 -16.384 10.884 9.098 1.00 7.27 C ATOM 7 CD GLU A 1 -15.676 10.632 10.430 1.00 8.59 C ATOM 8 OE1 GLU A 1 -16.366 10.429 11.415 1.00 9.29 O ATOM 9 OE2 GLU A 1 -14.456 10.647 10.443 1.00 9.06 O ATOM 0 H1 GLU A 1 -18.702 13.176 7.220 1.00 3.96 H new ATOM 0 H2 GLU A 1 -20.247 12.746 7.778 1.00 3.96 H new ATOM 0 H3 GLU A 1 -19.278 13.801 8.690 1.00 3.96 H new ATOM 0 HA GLU A 1 -18.683 10.936 8.133 1.00 5.31 H new ATOM 0 HB2 GLU A 1 -16.852 12.930 8.579 1.00 5.93 H new ATOM 0 HB3 GLU A 1 -17.242 12.510 10.235 1.00 5.93 H new ATOM 0 HG2 GLU A 1 -16.999 10.024 8.833 1.00 7.27 H new ATOM 0 HG3 GLU A 1 -15.650 11.008 8.302 1.00 7.27 H new ATOM 18 N ALA A 2 -20.532 10.681 9.896 1.00 5.63 N ATOM 19 CA ALA A 2 -21.387 10.346 11.069 1.00 6.18 C ATOM 20 C ALA A 2 -22.289 9.162 10.718 1.00 6.33 C ATOM 21 O ALA A 2 -22.081 8.055 11.169 1.00 6.97 O ATOM 22 CB ALA A 2 -22.251 11.556 11.433 1.00 5.77 C ATOM 0 H ALA A 2 -20.797 10.226 9.022 1.00 5.63 H new ATOM 0 HA ALA A 2 -20.755 10.083 11.917 1.00 6.18 H new ATOM 0 HB1 ALA A 2 -22.877 11.311 12.291 1.00 5.77 H new ATOM 0 HB2 ALA A 2 -21.608 12.400 11.682 1.00 5.77 H new ATOM 0 HB3 ALA A 2 -22.884 11.819 10.586 1.00 5.77 H new ATOM 28 N GLU A 3 -23.291 9.386 9.911 1.00 5.85 N ATOM 29 CA GLU A 3 -24.204 8.272 9.531 1.00 6.12 C ATOM 30 C GLU A 3 -23.823 7.757 8.141 1.00 5.44 C ATOM 31 O GLU A 3 -24.664 7.331 7.374 1.00 5.79 O ATOM 32 CB GLU A 3 -25.648 8.779 9.512 1.00 6.28 C ATOM 33 CG GLU A 3 -25.869 9.727 10.693 1.00 6.40 C ATOM 34 CD GLU A 3 -27.350 10.099 10.777 1.00 6.84 C ATOM 35 OE1 GLU A 3 -28.107 9.319 11.330 1.00 7.85 O ATOM 36 OE2 GLU A 3 -27.703 11.160 10.287 1.00 6.35 O ATOM 0 H GLU A 3 -23.516 10.292 9.499 1.00 5.85 H new ATOM 0 HA GLU A 3 -24.115 7.463 10.256 1.00 6.12 H new ATOM 0 HB2 GLU A 3 -25.852 9.295 8.574 1.00 6.28 H new ATOM 0 HB3 GLU A 3 -26.341 7.939 9.571 1.00 6.28 H new ATOM 0 HG2 GLU A 3 -25.549 9.251 11.620 1.00 6.40 H new ATOM 0 HG3 GLU A 3 -25.264 10.625 10.571 1.00 6.40 H new ATOM 43 N ALA A 4 -22.560 7.790 7.812 1.00 4.62 N ATOM 44 CA ALA A 4 -22.124 7.301 6.474 1.00 3.96 C ATOM 45 C ALA A 4 -20.594 7.270 6.417 1.00 3.25 C ATOM 46 O ALA A 4 -19.920 7.849 7.246 1.00 3.16 O ATOM 47 CB ALA A 4 -22.657 8.237 5.387 1.00 3.24 C ATOM 0 H ALA A 4 -21.811 8.135 8.413 1.00 4.62 H new ATOM 0 HA ALA A 4 -22.515 6.297 6.310 1.00 3.96 H new ATOM 0 HB1 ALA A 4 -22.337 7.878 4.409 1.00 3.24 H new ATOM 0 HB2 ALA A 4 -23.746 8.259 5.427 1.00 3.24 H new ATOM 0 HB3 ALA A 4 -22.268 9.242 5.550 1.00 3.24 H new ATOM 53 N HIS A 5 -20.043 6.598 5.444 1.00 3.30 N ATOM 54 CA HIS A 5 -18.559 6.527 5.332 1.00 3.17 C ATOM 55 C HIS A 5 -18.049 7.714 4.512 1.00 1.83 C ATOM 56 O HIS A 5 -18.800 8.596 4.147 1.00 1.12 O ATOM 57 CB HIS A 5 -18.167 5.222 4.636 1.00 4.14 C ATOM 58 CG HIS A 5 -18.134 4.106 5.643 1.00 5.63 C ATOM 59 ND1 HIS A 5 -17.400 4.190 6.816 1.00 6.85 N ATOM 60 CD2 HIS A 5 -18.738 2.874 5.665 1.00 6.31 C ATOM 61 CE1 HIS A 5 -17.579 3.038 7.488 1.00 8.02 C ATOM 62 NE2 HIS A 5 -18.387 2.201 6.832 1.00 7.69 N ATOM 0 H HIS A 5 -20.557 6.095 4.721 1.00 3.30 H new ATOM 0 HA HIS A 5 -18.117 6.559 6.328 1.00 3.17 H new ATOM 0 HB2 HIS A 5 -18.880 4.991 3.845 1.00 4.14 H new ATOM 0 HB3 HIS A 5 -17.191 5.329 4.164 1.00 4.14 H new ATOM 0 HD2 HIS A 5 -19.387 2.486 4.894 1.00 6.31 H new ATOM 0 HE1 HIS A 5 -17.124 2.817 8.442 1.00 8.02 H new ATOM 0 HE2 HIS A 5 -18.683 1.269 7.123 1.00 7.69 H new ATOM 70 N LYS A 6 -16.778 7.741 4.218 1.00 2.12 N ATOM 71 CA LYS A 6 -16.223 8.871 3.422 1.00 1.77 C ATOM 72 C LYS A 6 -15.427 8.317 2.239 1.00 1.70 C ATOM 73 O LYS A 6 -14.328 8.750 1.963 1.00 2.66 O ATOM 74 CB LYS A 6 -15.304 9.717 4.304 1.00 3.12 C ATOM 75 CG LYS A 6 -16.119 10.817 4.985 1.00 3.51 C ATOM 76 CD LYS A 6 -15.177 11.758 5.738 1.00 4.99 C ATOM 77 CE LYS A 6 -14.233 12.440 4.746 1.00 6.16 C ATOM 78 NZ LYS A 6 -13.554 13.586 5.414 1.00 7.73 N ATOM 0 H LYS A 6 -16.101 7.030 4.494 1.00 2.12 H new ATOM 0 HA LYS A 6 -17.040 9.491 3.053 1.00 1.77 H new ATOM 0 HB2 LYS A 6 -14.823 9.089 5.054 1.00 3.12 H new ATOM 0 HB3 LYS A 6 -14.510 10.158 3.702 1.00 3.12 H new ATOM 0 HG2 LYS A 6 -16.690 11.374 4.242 1.00 3.51 H new ATOM 0 HG3 LYS A 6 -16.839 10.377 5.675 1.00 3.51 H new ATOM 0 HD2 LYS A 6 -15.753 12.507 6.282 1.00 4.99 H new ATOM 0 HD3 LYS A 6 -14.603 11.199 6.477 1.00 4.99 H new ATOM 0 HE2 LYS A 6 -13.493 11.727 4.383 1.00 6.16 H new ATOM 0 HE3 LYS A 6 -14.792 12.790 3.878 1.00 6.16 H new ATOM 0 HZ1 LYS A 6 -12.912 14.050 4.740 1.00 7.73 H new ATOM 0 HZ2 LYS A 6 -14.267 14.270 5.740 1.00 7.73 H new ATOM 0 HZ3 LYS A 6 -13.009 13.239 6.229 1.00 7.73 H new ATOM 92 N CYS A 7 -15.974 7.367 1.540 1.00 0.80 N ATOM 93 CA CYS A 7 -15.253 6.783 0.370 1.00 0.68 C ATOM 94 C CYS A 7 -15.067 7.857 -0.711 1.00 0.55 C ATOM 95 O CYS A 7 -14.154 7.798 -1.511 1.00 0.81 O ATOM 96 CB CYS A 7 -16.079 5.620 -0.194 1.00 0.58 C ATOM 97 SG CYS A 7 -15.663 5.347 -1.935 1.00 1.09 S ATOM 0 H CYS A 7 -16.893 6.965 1.726 1.00 0.80 H new ATOM 0 HA CYS A 7 -14.274 6.421 0.684 1.00 0.68 H new ATOM 0 HB2 CYS A 7 -15.885 4.714 0.380 1.00 0.58 H new ATOM 0 HB3 CYS A 7 -17.142 5.838 -0.096 1.00 0.58 H new ATOM 102 N ASP A 8 -15.931 8.834 -0.744 1.00 0.32 N ATOM 103 CA ASP A 8 -15.822 9.903 -1.778 1.00 0.51 C ATOM 104 C ASP A 8 -14.422 10.527 -1.788 1.00 0.38 C ATOM 105 O ASP A 8 -13.658 10.336 -2.712 1.00 0.32 O ATOM 106 CB ASP A 8 -16.855 10.994 -1.487 1.00 0.91 C ATOM 107 CG ASP A 8 -18.023 10.867 -2.467 1.00 1.13 C ATOM 108 OD1 ASP A 8 -18.710 9.861 -2.411 1.00 1.74 O ATOM 109 OD2 ASP A 8 -18.208 11.777 -3.259 1.00 1.71 O ATOM 0 H ASP A 8 -16.712 8.939 -0.096 1.00 0.32 H new ATOM 0 HA ASP A 8 -16.006 9.454 -2.754 1.00 0.51 H new ATOM 0 HB2 ASP A 8 -17.215 10.904 -0.462 1.00 0.91 H new ATOM 0 HB3 ASP A 8 -16.395 11.978 -1.578 1.00 0.91 H new ATOM 114 N ILE A 9 -14.095 11.306 -0.793 1.00 0.53 N ATOM 115 CA ILE A 9 -12.760 11.979 -0.781 1.00 0.60 C ATOM 116 C ILE A 9 -11.693 11.122 -0.085 1.00 0.38 C ATOM 117 O ILE A 9 -10.536 11.170 -0.442 1.00 0.52 O ATOM 118 CB ILE A 9 -12.878 13.318 -0.051 1.00 0.93 C ATOM 119 CG1 ILE A 9 -13.594 14.327 -0.954 1.00 1.37 C ATOM 120 CG2 ILE A 9 -11.481 13.842 0.285 1.00 1.27 C ATOM 121 CD1 ILE A 9 -14.581 15.146 -0.121 1.00 0.96 C ATOM 0 H ILE A 9 -14.691 11.506 0.010 1.00 0.53 H new ATOM 0 HA ILE A 9 -12.451 12.128 -1.816 1.00 0.60 H new ATOM 0 HB ILE A 9 -13.446 13.181 0.869 1.00 0.93 H new ATOM 0 HG12 ILE A 9 -12.867 14.986 -1.428 1.00 1.37 H new ATOM 0 HG13 ILE A 9 -14.121 13.806 -1.753 1.00 1.37 H new ATOM 0 HG21 ILE A 9 -11.566 14.796 0.805 1.00 1.27 H new ATOM 0 HG22 ILE A 9 -10.967 13.124 0.925 1.00 1.27 H new ATOM 0 HG23 ILE A 9 -10.913 13.980 -0.635 1.00 1.27 H new ATOM 0 HD11 ILE A 9 -15.091 15.864 -0.763 1.00 0.96 H new ATOM 0 HD12 ILE A 9 -15.315 14.480 0.332 1.00 0.96 H new ATOM 0 HD13 ILE A 9 -14.042 15.679 0.662 1.00 0.96 H new ATOM 133 N THR A 10 -12.046 10.364 0.914 1.00 0.16 N ATOM 134 CA THR A 10 -11.004 9.546 1.610 1.00 0.07 C ATOM 135 C THR A 10 -10.383 8.535 0.642 1.00 0.16 C ATOM 136 O THR A 10 -9.213 8.608 0.326 1.00 0.36 O ATOM 137 CB THR A 10 -11.622 8.792 2.793 1.00 0.30 C ATOM 138 OG1 THR A 10 -12.350 9.702 3.605 1.00 0.55 O ATOM 139 CG2 THR A 10 -10.505 8.146 3.619 1.00 0.39 C ATOM 0 H THR A 10 -12.995 10.273 1.278 1.00 0.16 H new ATOM 0 HA THR A 10 -10.230 10.222 1.973 1.00 0.07 H new ATOM 0 HB THR A 10 -12.296 8.019 2.424 1.00 0.30 H new ATOM 0 HG1 THR A 10 -12.612 9.259 4.439 1.00 0.55 H new ATOM 0 HG21 THR A 10 -10.940 7.609 4.462 1.00 0.39 H new ATOM 0 HG22 THR A 10 -9.946 7.450 2.994 1.00 0.39 H new ATOM 0 HG23 THR A 10 -9.833 8.920 3.990 1.00 0.39 H new ATOM 147 N LEU A 11 -11.147 7.581 0.185 1.00 0.30 N ATOM 148 CA LEU A 11 -10.585 6.552 -0.740 1.00 0.41 C ATOM 149 C LEU A 11 -10.180 7.175 -2.085 1.00 0.27 C ATOM 150 O LEU A 11 -9.448 6.576 -2.848 1.00 0.13 O ATOM 151 CB LEU A 11 -11.627 5.456 -0.970 1.00 0.61 C ATOM 152 CG LEU A 11 -11.314 4.263 -0.063 1.00 0.84 C ATOM 153 CD1 LEU A 11 -11.705 4.595 1.378 1.00 1.10 C ATOM 154 CD2 LEU A 11 -12.104 3.042 -0.534 1.00 0.84 C ATOM 0 H LEU A 11 -12.135 7.468 0.411 1.00 0.30 H new ATOM 0 HA LEU A 11 -9.692 6.127 -0.283 1.00 0.41 H new ATOM 0 HB2 LEU A 11 -12.626 5.837 -0.757 1.00 0.61 H new ATOM 0 HB3 LEU A 11 -11.620 5.145 -2.015 1.00 0.61 H new ATOM 0 HG LEU A 11 -10.247 4.047 -0.108 1.00 0.84 H new ATOM 0 HD11 LEU A 11 -11.481 3.744 2.021 1.00 1.10 H new ATOM 0 HD12 LEU A 11 -11.141 5.464 1.717 1.00 1.10 H new ATOM 0 HD13 LEU A 11 -12.772 4.814 1.424 1.00 1.10 H new ATOM 0 HD21 LEU A 11 -11.881 2.193 0.112 1.00 0.84 H new ATOM 0 HD22 LEU A 11 -13.171 3.260 -0.491 1.00 0.84 H new ATOM 0 HD23 LEU A 11 -11.824 2.801 -1.560 1.00 0.84 H new ATOM 166 N GLN A 12 -10.636 8.360 -2.392 1.00 0.44 N ATOM 167 CA GLN A 12 -10.246 8.987 -3.694 1.00 0.37 C ATOM 168 C GLN A 12 -8.789 9.443 -3.612 1.00 0.32 C ATOM 169 O GLN A 12 -7.943 9.014 -4.376 1.00 0.28 O ATOM 170 CB GLN A 12 -11.148 10.192 -3.973 1.00 0.51 C ATOM 171 CG GLN A 12 -10.541 11.040 -5.092 1.00 1.04 C ATOM 172 CD GLN A 12 -11.649 11.514 -6.033 1.00 0.81 C ATOM 173 OE1 GLN A 12 -11.876 10.923 -7.070 1.00 1.73 O ATOM 174 NE2 GLN A 12 -12.354 12.566 -5.716 1.00 0.89 N ATOM 0 H GLN A 12 -11.256 8.919 -1.806 1.00 0.44 H new ATOM 0 HA GLN A 12 -10.358 8.262 -4.500 1.00 0.37 H new ATOM 0 HB2 GLN A 12 -12.144 9.855 -4.258 1.00 0.51 H new ATOM 0 HB3 GLN A 12 -11.261 10.791 -3.070 1.00 0.51 H new ATOM 0 HG2 GLN A 12 -10.017 11.897 -4.669 1.00 1.04 H new ATOM 0 HG3 GLN A 12 -9.804 10.457 -5.645 1.00 1.04 H new ATOM 0 HE21 GLN A 12 -12.165 13.063 -4.846 1.00 0.89 H new ATOM 0 HE22 GLN A 12 -13.094 12.891 -6.338 1.00 0.89 H new ATOM 183 N GLU A 13 -8.490 10.301 -2.681 1.00 0.42 N ATOM 184 CA GLU A 13 -7.091 10.778 -2.521 1.00 0.42 C ATOM 185 C GLU A 13 -6.195 9.577 -2.216 1.00 0.40 C ATOM 186 O GLU A 13 -5.032 9.548 -2.566 1.00 0.38 O ATOM 187 CB GLU A 13 -7.027 11.774 -1.362 1.00 0.53 C ATOM 188 CG GLU A 13 -6.096 12.929 -1.727 1.00 1.01 C ATOM 189 CD GLU A 13 -6.786 13.841 -2.744 1.00 1.78 C ATOM 190 OE1 GLU A 13 -6.773 13.504 -3.917 1.00 2.96 O ATOM 191 OE2 GLU A 13 -7.317 14.859 -2.332 1.00 2.08 O ATOM 0 H GLU A 13 -9.159 10.695 -2.019 1.00 0.42 H new ATOM 0 HA GLU A 13 -6.754 11.267 -3.435 1.00 0.42 H new ATOM 0 HB2 GLU A 13 -8.024 12.154 -1.141 1.00 0.53 H new ATOM 0 HB3 GLU A 13 -6.669 11.276 -0.461 1.00 0.53 H new ATOM 0 HG2 GLU A 13 -5.835 13.496 -0.833 1.00 1.01 H new ATOM 0 HG3 GLU A 13 -5.165 12.542 -2.142 1.00 1.01 H new ATOM 198 N ILE A 14 -6.737 8.581 -1.567 1.00 0.40 N ATOM 199 CA ILE A 14 -5.938 7.371 -1.235 1.00 0.38 C ATOM 200 C ILE A 14 -5.618 6.616 -2.524 1.00 0.32 C ATOM 201 O ILE A 14 -4.580 6.001 -2.657 1.00 0.33 O ATOM 202 CB ILE A 14 -6.759 6.476 -0.300 1.00 0.43 C ATOM 203 CG1 ILE A 14 -6.083 6.415 1.068 1.00 0.43 C ATOM 204 CG2 ILE A 14 -6.866 5.058 -0.876 1.00 0.36 C ATOM 205 CD1 ILE A 14 -7.147 6.518 2.161 1.00 0.69 C ATOM 0 H ILE A 14 -7.707 8.556 -1.251 1.00 0.40 H new ATOM 0 HA ILE A 14 -5.008 7.656 -0.743 1.00 0.38 H new ATOM 0 HB ILE A 14 -7.760 6.895 -0.201 1.00 0.43 H new ATOM 0 HG12 ILE A 14 -5.528 5.483 1.171 1.00 0.43 H new ATOM 0 HG13 ILE A 14 -5.363 7.227 1.167 1.00 0.43 H new ATOM 0 HG21 ILE A 14 -7.452 4.434 -0.201 1.00 0.36 H new ATOM 0 HG22 ILE A 14 -7.354 5.097 -1.850 1.00 0.36 H new ATOM 0 HG23 ILE A 14 -5.868 4.634 -0.987 1.00 0.36 H new ATOM 0 HD11 ILE A 14 -6.669 6.475 3.140 1.00 0.69 H new ATOM 0 HD12 ILE A 14 -7.682 7.462 2.060 1.00 0.69 H new ATOM 0 HD13 ILE A 14 -7.850 5.690 2.064 1.00 0.69 H new ATOM 217 N ILE A 15 -6.513 6.652 -3.469 1.00 0.25 N ATOM 218 CA ILE A 15 -6.287 5.935 -4.755 1.00 0.21 C ATOM 219 C ILE A 15 -5.098 6.563 -5.494 1.00 0.21 C ATOM 220 O ILE A 15 -4.163 5.882 -5.883 1.00 0.34 O ATOM 221 CB ILE A 15 -7.551 6.053 -5.611 1.00 0.24 C ATOM 222 CG1 ILE A 15 -8.459 4.845 -5.357 1.00 0.23 C ATOM 223 CG2 ILE A 15 -7.172 6.098 -7.089 1.00 0.23 C ATOM 224 CD1 ILE A 15 -9.923 5.293 -5.379 1.00 0.49 C ATOM 0 H ILE A 15 -7.400 7.152 -3.406 1.00 0.25 H new ATOM 0 HA ILE A 15 -6.067 4.885 -4.562 1.00 0.21 H new ATOM 0 HB ILE A 15 -8.078 6.969 -5.344 1.00 0.24 H new ATOM 0 HG12 ILE A 15 -8.289 4.083 -6.118 1.00 0.23 H new ATOM 0 HG13 ILE A 15 -8.220 4.393 -4.394 1.00 0.23 H new ATOM 0 HG21 ILE A 15 -8.075 6.182 -7.694 1.00 0.23 H new ATOM 0 HG22 ILE A 15 -6.530 6.959 -7.274 1.00 0.23 H new ATOM 0 HG23 ILE A 15 -6.640 5.185 -7.356 1.00 0.23 H new ATOM 0 HD11 ILE A 15 -10.569 4.434 -5.198 1.00 0.49 H new ATOM 0 HD12 ILE A 15 -10.087 6.040 -4.602 1.00 0.49 H new ATOM 0 HD13 ILE A 15 -10.157 5.725 -6.352 1.00 0.49 H new ATOM 236 N LYS A 16 -5.124 7.853 -5.693 1.00 0.21 N ATOM 237 CA LYS A 16 -3.996 8.518 -6.407 1.00 0.32 C ATOM 238 C LYS A 16 -2.689 8.273 -5.650 1.00 0.25 C ATOM 239 O LYS A 16 -1.649 8.051 -6.239 1.00 0.30 O ATOM 240 CB LYS A 16 -4.261 10.024 -6.490 1.00 0.45 C ATOM 241 CG LYS A 16 -5.636 10.267 -7.114 1.00 0.87 C ATOM 242 CD LYS A 16 -5.649 11.633 -7.804 1.00 0.54 C ATOM 243 CE LYS A 16 -6.194 12.688 -6.840 1.00 0.63 C ATOM 244 NZ LYS A 16 -7.260 13.477 -7.520 1.00 0.58 N ATOM 0 H LYS A 16 -5.875 8.474 -5.393 1.00 0.21 H new ATOM 0 HA LYS A 16 -3.914 8.105 -7.412 1.00 0.32 H new ATOM 0 HB2 LYS A 16 -4.218 10.467 -5.495 1.00 0.45 H new ATOM 0 HB3 LYS A 16 -3.488 10.508 -7.088 1.00 0.45 H new ATOM 0 HG2 LYS A 16 -5.864 9.482 -7.835 1.00 0.87 H new ATOM 0 HG3 LYS A 16 -6.408 10.229 -6.345 1.00 0.87 H new ATOM 0 HD2 LYS A 16 -4.641 11.901 -8.121 1.00 0.54 H new ATOM 0 HD3 LYS A 16 -6.266 11.593 -8.702 1.00 0.54 H new ATOM 0 HE2 LYS A 16 -6.595 12.208 -5.947 1.00 0.63 H new ATOM 0 HE3 LYS A 16 -5.390 13.348 -6.513 1.00 0.63 H new ATOM 0 HZ1 LYS A 16 -7.632 14.195 -6.866 1.00 0.58 H new ATOM 0 HZ2 LYS A 16 -6.863 13.946 -8.359 1.00 0.58 H new ATOM 0 HZ3 LYS A 16 -8.030 12.842 -7.810 1.00 0.58 H new ATOM 258 N THR A 17 -2.736 8.311 -4.348 1.00 0.15 N ATOM 259 CA THR A 17 -1.502 8.082 -3.544 1.00 0.16 C ATOM 260 C THR A 17 -0.937 6.695 -3.857 1.00 0.26 C ATOM 261 O THR A 17 0.261 6.506 -3.973 1.00 0.32 O ATOM 262 CB THR A 17 -1.849 8.165 -2.058 1.00 0.10 C ATOM 263 OG1 THR A 17 -2.663 9.308 -1.828 1.00 0.09 O ATOM 264 CG2 THR A 17 -0.566 8.277 -1.236 1.00 0.19 C ATOM 0 H THR A 17 -3.579 8.492 -3.803 1.00 0.15 H new ATOM 0 HA THR A 17 -0.758 8.840 -3.792 1.00 0.16 H new ATOM 0 HB THR A 17 -2.389 7.266 -1.760 1.00 0.10 H new ATOM 0 HG1 THR A 17 -3.604 9.072 -1.962 1.00 0.09 H new ATOM 0 HG21 THR A 17 -0.816 8.336 -0.177 1.00 0.19 H new ATOM 0 HG22 THR A 17 0.057 7.401 -1.413 1.00 0.19 H new ATOM 0 HG23 THR A 17 -0.022 9.174 -1.531 1.00 0.19 H new ATOM 272 N LEU A 18 -1.792 5.721 -3.998 1.00 0.30 N ATOM 273 CA LEU A 18 -1.308 4.351 -4.305 1.00 0.40 C ATOM 274 C LEU A 18 -0.484 4.387 -5.590 1.00 0.46 C ATOM 275 O LEU A 18 0.622 3.887 -5.649 1.00 0.62 O ATOM 276 CB LEU A 18 -2.497 3.417 -4.497 1.00 0.45 C ATOM 277 CG LEU A 18 -2.052 1.979 -4.219 1.00 0.62 C ATOM 278 CD1 LEU A 18 -2.649 1.497 -2.896 1.00 2.12 C ATOM 279 CD2 LEU A 18 -2.519 1.069 -5.355 1.00 1.45 C ATOM 0 H LEU A 18 -2.804 5.816 -3.914 1.00 0.30 H new ATOM 0 HA LEU A 18 -0.694 3.990 -3.480 1.00 0.40 H new ATOM 0 HB2 LEU A 18 -3.308 3.697 -3.824 1.00 0.45 H new ATOM 0 HB3 LEU A 18 -2.882 3.502 -5.513 1.00 0.45 H new ATOM 0 HG LEU A 18 -0.964 1.947 -4.153 1.00 0.62 H new ATOM 0 HD11 LEU A 18 -2.329 0.473 -2.704 1.00 2.12 H new ATOM 0 HD12 LEU A 18 -2.308 2.142 -2.086 1.00 2.12 H new ATOM 0 HD13 LEU A 18 -3.737 1.532 -2.954 1.00 2.12 H new ATOM 0 HD21 LEU A 18 -2.201 0.046 -5.155 1.00 1.45 H new ATOM 0 HD22 LEU A 18 -3.606 1.104 -5.426 1.00 1.45 H new ATOM 0 HD23 LEU A 18 -2.083 1.407 -6.295 1.00 1.45 H new ATOM 291 N ASN A 19 -1.018 4.982 -6.624 1.00 0.37 N ATOM 292 CA ASN A 19 -0.265 5.055 -7.909 1.00 0.42 C ATOM 293 C ASN A 19 1.069 5.774 -7.680 1.00 0.44 C ATOM 294 O ASN A 19 2.040 5.532 -8.369 1.00 0.47 O ATOM 295 CB ASN A 19 -1.086 5.832 -8.943 1.00 0.43 C ATOM 296 CG ASN A 19 -2.473 5.200 -9.083 1.00 1.52 C ATOM 297 OD1 ASN A 19 -3.346 5.434 -8.270 1.00 2.94 O ATOM 298 ND2 ASN A 19 -2.717 4.405 -10.090 1.00 1.93 N ATOM 0 H ASN A 19 -1.940 5.419 -6.634 1.00 0.37 H new ATOM 0 HA ASN A 19 -0.079 4.045 -8.275 1.00 0.42 H new ATOM 0 HB2 ASN A 19 -1.180 6.874 -8.638 1.00 0.43 H new ATOM 0 HB3 ASN A 19 -0.575 5.827 -9.906 1.00 0.43 H new ATOM 0 HD21 ASN A 19 -3.639 3.981 -10.194 1.00 1.93 H new ATOM 0 HD22 ASN A 19 -1.986 4.208 -10.773 1.00 1.93 H new ATOM 305 N SER A 20 1.121 6.659 -6.722 1.00 0.44 N ATOM 306 CA SER A 20 2.387 7.400 -6.449 1.00 0.48 C ATOM 307 C SER A 20 3.476 6.426 -5.990 1.00 0.48 C ATOM 308 O SER A 20 4.628 6.562 -6.350 1.00 0.49 O ATOM 309 CB SER A 20 2.141 8.439 -5.355 1.00 0.50 C ATOM 310 OG SER A 20 0.914 9.109 -5.612 1.00 1.04 O ATOM 0 H SER A 20 0.339 6.902 -6.114 1.00 0.44 H new ATOM 0 HA SER A 20 2.714 7.897 -7.362 1.00 0.48 H new ATOM 0 HB2 SER A 20 2.107 7.955 -4.379 1.00 0.50 H new ATOM 0 HB3 SER A 20 2.961 9.156 -5.327 1.00 0.50 H new ATOM 0 HG SER A 20 0.828 9.877 -5.010 1.00 1.04 H new ATOM 316 N LEU A 21 3.129 5.454 -5.191 1.00 0.48 N ATOM 317 CA LEU A 21 4.161 4.486 -4.712 1.00 0.48 C ATOM 318 C LEU A 21 4.663 3.627 -5.880 1.00 0.49 C ATOM 319 O LEU A 21 5.755 3.095 -5.844 1.00 0.52 O ATOM 320 CB LEU A 21 3.558 3.578 -3.638 1.00 0.47 C ATOM 321 CG LEU A 21 3.180 4.417 -2.418 1.00 0.29 C ATOM 322 CD1 LEU A 21 1.658 4.510 -2.314 1.00 0.77 C ATOM 323 CD2 LEU A 21 3.736 3.755 -1.153 1.00 0.99 C ATOM 0 H LEU A 21 2.182 5.287 -4.850 1.00 0.48 H new ATOM 0 HA LEU A 21 4.998 5.044 -4.292 1.00 0.48 H new ATOM 0 HB2 LEU A 21 2.678 3.068 -4.029 1.00 0.47 H new ATOM 0 HB3 LEU A 21 4.274 2.806 -3.355 1.00 0.47 H new ATOM 0 HG LEU A 21 3.599 5.418 -2.522 1.00 0.29 H new ATOM 0 HD11 LEU A 21 1.389 5.108 -1.444 1.00 0.77 H new ATOM 0 HD12 LEU A 21 1.260 4.979 -3.214 1.00 0.77 H new ATOM 0 HD13 LEU A 21 1.239 3.509 -2.210 1.00 0.77 H new ATOM 0 HD21 LEU A 21 3.467 4.352 -0.282 1.00 0.99 H new ATOM 0 HD22 LEU A 21 3.315 2.755 -1.051 1.00 0.99 H new ATOM 0 HD23 LEU A 21 4.821 3.687 -1.225 1.00 0.99 H new ATOM 335 N THR A 22 3.877 3.480 -6.913 1.00 0.49 N ATOM 336 CA THR A 22 4.316 2.649 -8.074 1.00 0.50 C ATOM 337 C THR A 22 5.500 3.309 -8.799 1.00 0.70 C ATOM 338 O THR A 22 6.150 2.687 -9.616 1.00 0.89 O ATOM 339 CB THR A 22 3.149 2.499 -9.053 1.00 0.49 C ATOM 340 OG1 THR A 22 3.175 1.198 -9.623 1.00 1.81 O ATOM 341 CG2 THR A 22 3.275 3.546 -10.161 1.00 2.00 C ATOM 0 H THR A 22 2.951 3.898 -7.004 1.00 0.49 H new ATOM 0 HA THR A 22 4.631 1.672 -7.707 1.00 0.50 H new ATOM 0 HB THR A 22 2.208 2.644 -8.523 1.00 0.49 H new ATOM 0 HG1 THR A 22 2.427 1.100 -10.249 1.00 1.81 H new ATOM 0 HG21 THR A 22 2.444 3.439 -10.858 1.00 2.00 H new ATOM 0 HG22 THR A 22 3.255 4.544 -9.723 1.00 2.00 H new ATOM 0 HG23 THR A 22 4.216 3.402 -10.693 1.00 2.00 H new ATOM 349 N GLU A 23 5.780 4.558 -8.524 1.00 0.67 N ATOM 350 CA GLU A 23 6.915 5.241 -9.214 1.00 0.87 C ATOM 351 C GLU A 23 8.195 4.410 -9.069 1.00 0.84 C ATOM 352 O GLU A 23 9.054 4.421 -9.928 1.00 0.93 O ATOM 353 CB GLU A 23 7.132 6.624 -8.594 1.00 1.10 C ATOM 354 CG GLU A 23 8.086 7.435 -9.476 1.00 1.48 C ATOM 355 CD GLU A 23 7.985 8.918 -9.112 1.00 1.83 C ATOM 356 OE1 GLU A 23 6.979 9.301 -8.538 1.00 1.74 O ATOM 357 OE2 GLU A 23 8.917 9.646 -9.415 1.00 2.80 O ATOM 0 H GLU A 23 5.272 5.133 -7.852 1.00 0.67 H new ATOM 0 HA GLU A 23 6.676 5.347 -10.272 1.00 0.87 H new ATOM 0 HB2 GLU A 23 6.179 7.144 -8.496 1.00 1.10 H new ATOM 0 HB3 GLU A 23 7.545 6.524 -7.590 1.00 1.10 H new ATOM 0 HG2 GLU A 23 9.109 7.085 -9.340 1.00 1.48 H new ATOM 0 HG3 GLU A 23 7.837 7.290 -10.527 1.00 1.48 H new ATOM 364 N GLN A 24 8.328 3.685 -7.992 1.00 0.82 N ATOM 365 CA GLN A 24 9.549 2.852 -7.795 1.00 0.88 C ATOM 366 C GLN A 24 9.214 1.389 -8.091 1.00 0.76 C ATOM 367 O GLN A 24 9.223 0.550 -7.213 1.00 1.17 O ATOM 368 CB GLN A 24 10.031 2.983 -6.349 1.00 1.48 C ATOM 369 CG GLN A 24 10.975 4.182 -6.230 1.00 1.28 C ATOM 370 CD GLN A 24 12.265 3.751 -5.528 1.00 2.15 C ATOM 371 OE1 GLN A 24 13.003 2.932 -6.038 1.00 2.56 O ATOM 372 NE2 GLN A 24 12.568 4.272 -4.370 1.00 2.96 N ATOM 0 H GLN A 24 7.643 3.633 -7.238 1.00 0.82 H new ATOM 0 HA GLN A 24 10.335 3.192 -8.469 1.00 0.88 H new ATOM 0 HB2 GLN A 24 9.179 3.110 -5.681 1.00 1.48 H new ATOM 0 HB3 GLN A 24 10.544 2.072 -6.042 1.00 1.48 H new ATOM 0 HG2 GLN A 24 11.202 4.578 -7.220 1.00 1.28 H new ATOM 0 HG3 GLN A 24 10.493 4.983 -5.669 1.00 1.28 H new ATOM 0 HE21 GLN A 24 11.948 4.960 -3.942 1.00 2.96 H new ATOM 0 HE22 GLN A 24 13.425 3.991 -3.893 1.00 2.96 H new ATOM 381 N LYS A 25 8.909 1.081 -9.320 1.00 0.81 N ATOM 382 CA LYS A 25 8.563 -0.324 -9.672 1.00 1.33 C ATOM 383 C LYS A 25 9.678 -0.939 -10.523 1.00 1.49 C ATOM 384 O LYS A 25 9.462 -1.334 -11.652 1.00 1.95 O ATOM 385 CB LYS A 25 7.254 -0.339 -10.464 1.00 1.77 C ATOM 386 CG LYS A 25 6.762 -1.780 -10.611 1.00 2.19 C ATOM 387 CD LYS A 25 5.496 -1.803 -11.470 1.00 2.60 C ATOM 388 CE LYS A 25 4.482 -2.777 -10.866 1.00 2.69 C ATOM 389 NZ LYS A 25 4.214 -2.398 -9.449 1.00 1.67 N ATOM 0 H LYS A 25 8.884 1.742 -10.097 1.00 0.81 H new ATOM 0 HA LYS A 25 8.448 -0.906 -8.757 1.00 1.33 H new ATOM 0 HB2 LYS A 25 6.502 0.263 -9.955 1.00 1.77 H new ATOM 0 HB3 LYS A 25 7.406 0.106 -11.447 1.00 1.77 H new ATOM 0 HG2 LYS A 25 7.536 -2.395 -11.070 1.00 2.19 H new ATOM 0 HG3 LYS A 25 6.556 -2.207 -9.629 1.00 2.19 H new ATOM 0 HD2 LYS A 25 5.065 -0.803 -11.527 1.00 2.60 H new ATOM 0 HD3 LYS A 25 5.741 -2.103 -12.489 1.00 2.60 H new ATOM 0 HE2 LYS A 25 3.556 -2.758 -11.440 1.00 2.69 H new ATOM 0 HE3 LYS A 25 4.866 -3.796 -10.915 1.00 2.69 H new ATOM 0 HZ1 LYS A 25 3.206 -2.543 -9.236 1.00 1.67 H new ATOM 0 HZ2 LYS A 25 4.790 -2.989 -8.817 1.00 1.67 H new ATOM 0 HZ3 LYS A 25 4.458 -1.397 -9.305 1.00 1.67 H new ATOM 403 N THR A 26 10.868 -1.031 -9.991 1.00 1.18 N ATOM 404 CA THR A 26 11.988 -1.627 -10.775 1.00 1.40 C ATOM 405 C THR A 26 13.127 -2.030 -9.837 1.00 1.23 C ATOM 406 O THR A 26 13.463 -3.191 -9.714 1.00 1.26 O ATOM 407 CB THR A 26 12.506 -0.602 -11.788 1.00 1.45 C ATOM 408 OG1 THR A 26 11.440 -0.184 -12.626 1.00 1.32 O ATOM 409 CG2 THR A 26 13.610 -1.237 -12.639 1.00 2.43 C ATOM 0 H THR A 26 11.112 -0.720 -9.051 1.00 1.18 H new ATOM 0 HA THR A 26 11.624 -2.511 -11.299 1.00 1.40 H new ATOM 0 HB THR A 26 12.909 0.261 -11.258 1.00 1.45 H new ATOM 0 HG1 THR A 26 10.722 -0.851 -12.600 1.00 1.32 H new ATOM 0 HG21 THR A 26 13.979 -0.507 -13.360 1.00 2.43 H new ATOM 0 HG22 THR A 26 14.429 -1.555 -11.994 1.00 2.43 H new ATOM 0 HG23 THR A 26 13.209 -2.101 -13.169 1.00 2.43 H new ATOM 417 N LEU A 27 13.736 -1.078 -9.184 1.00 1.07 N ATOM 418 CA LEU A 27 14.867 -1.401 -8.268 1.00 0.93 C ATOM 419 C LEU A 27 14.346 -1.670 -6.853 1.00 0.83 C ATOM 420 O LEU A 27 14.866 -2.506 -6.141 1.00 0.74 O ATOM 421 CB LEU A 27 15.836 -0.215 -8.233 1.00 0.98 C ATOM 422 CG LEU A 27 17.268 -0.711 -8.452 1.00 1.04 C ATOM 423 CD1 LEU A 27 17.584 -1.827 -7.456 1.00 2.21 C ATOM 424 CD2 LEU A 27 17.412 -1.246 -9.879 1.00 2.77 C ATOM 0 H LEU A 27 13.498 -0.088 -9.246 1.00 1.07 H new ATOM 0 HA LEU A 27 15.377 -2.293 -8.632 1.00 0.93 H new ATOM 0 HB2 LEU A 27 15.569 0.508 -9.004 1.00 0.98 H new ATOM 0 HB3 LEU A 27 15.762 0.299 -7.275 1.00 0.98 H new ATOM 0 HG LEU A 27 17.962 0.116 -8.301 1.00 1.04 H new ATOM 0 HD11 LEU A 27 18.604 -2.178 -7.614 1.00 2.21 H new ATOM 0 HD12 LEU A 27 17.485 -1.446 -6.439 1.00 2.21 H new ATOM 0 HD13 LEU A 27 16.889 -2.654 -7.603 1.00 2.21 H new ATOM 0 HD21 LEU A 27 18.432 -1.599 -10.034 1.00 2.77 H new ATOM 0 HD22 LEU A 27 16.716 -2.071 -10.030 1.00 2.77 H new ATOM 0 HD23 LEU A 27 17.191 -0.450 -10.590 1.00 2.77 H new ATOM 436 N CYS A 28 13.333 -0.964 -6.434 1.00 0.86 N ATOM 437 CA CYS A 28 12.801 -1.179 -5.057 1.00 0.81 C ATOM 438 C CYS A 28 11.731 -2.278 -5.059 1.00 0.87 C ATOM 439 O CYS A 28 11.445 -2.873 -4.040 1.00 0.88 O ATOM 440 CB CYS A 28 12.193 0.126 -4.537 1.00 0.85 C ATOM 441 SG CYS A 28 13.442 1.035 -3.590 1.00 1.29 S ATOM 0 H CYS A 28 12.852 -0.251 -6.981 1.00 0.86 H new ATOM 0 HA CYS A 28 13.620 -1.490 -4.408 1.00 0.81 H new ATOM 0 HB2 CYS A 28 11.839 0.733 -5.370 1.00 0.85 H new ATOM 0 HB3 CYS A 28 11.328 -0.088 -3.909 1.00 0.85 H new ATOM 446 N THR A 29 11.132 -2.556 -6.186 1.00 0.92 N ATOM 447 CA THR A 29 10.087 -3.620 -6.218 1.00 0.99 C ATOM 448 C THR A 29 10.721 -4.984 -6.531 1.00 1.14 C ATOM 449 O THR A 29 10.028 -5.945 -6.799 1.00 1.29 O ATOM 450 CB THR A 29 9.050 -3.284 -7.291 1.00 0.97 C ATOM 451 OG1 THR A 29 9.703 -2.720 -8.419 1.00 1.09 O ATOM 452 CG2 THR A 29 8.040 -2.284 -6.727 1.00 0.62 C ATOM 0 H THR A 29 11.318 -2.097 -7.078 1.00 0.92 H new ATOM 0 HA THR A 29 9.606 -3.670 -5.241 1.00 0.99 H new ATOM 0 HB THR A 29 8.529 -4.192 -7.593 1.00 0.97 H new ATOM 0 HG1 THR A 29 9.497 -3.252 -9.216 1.00 1.09 H new ATOM 0 HG21 THR A 29 7.300 -2.044 -7.491 1.00 0.62 H new ATOM 0 HG22 THR A 29 7.540 -2.720 -5.862 1.00 0.62 H new ATOM 0 HG23 THR A 29 8.559 -1.374 -6.425 1.00 0.62 H new ATOM 460 N GLU A 30 12.025 -5.085 -6.501 1.00 1.11 N ATOM 461 CA GLU A 30 12.671 -6.392 -6.804 1.00 1.27 C ATOM 462 C GLU A 30 13.084 -7.080 -5.504 1.00 1.34 C ATOM 463 O GLU A 30 14.091 -7.757 -5.443 1.00 1.55 O ATOM 464 CB GLU A 30 13.905 -6.159 -7.681 1.00 1.54 C ATOM 465 CG GLU A 30 14.918 -5.299 -6.923 1.00 0.91 C ATOM 466 CD GLU A 30 16.250 -6.045 -6.829 1.00 0.86 C ATOM 467 OE1 GLU A 30 16.221 -7.248 -6.628 1.00 0.71 O ATOM 468 OE2 GLU A 30 17.278 -5.400 -6.961 1.00 1.81 O ATOM 0 H GLU A 30 12.665 -4.322 -6.281 1.00 1.11 H new ATOM 0 HA GLU A 30 11.964 -7.030 -7.334 1.00 1.27 H new ATOM 0 HB2 GLU A 30 14.355 -7.113 -7.954 1.00 1.54 H new ATOM 0 HB3 GLU A 30 13.616 -5.666 -8.609 1.00 1.54 H new ATOM 0 HG2 GLU A 30 15.058 -4.347 -7.434 1.00 0.91 H new ATOM 0 HG3 GLU A 30 14.544 -5.073 -5.924 1.00 0.91 H new ATOM 475 N LEU A 31 12.302 -6.936 -4.470 1.00 1.19 N ATOM 476 CA LEU A 31 12.634 -7.603 -3.193 1.00 1.30 C ATOM 477 C LEU A 31 11.541 -8.652 -2.930 1.00 1.29 C ATOM 478 O LEU A 31 11.240 -9.438 -3.801 1.00 2.36 O ATOM 479 CB LEU A 31 12.705 -6.554 -2.078 1.00 1.28 C ATOM 480 CG LEU A 31 13.879 -5.609 -2.344 1.00 1.53 C ATOM 481 CD1 LEU A 31 13.362 -4.190 -2.592 1.00 2.12 C ATOM 482 CD2 LEU A 31 14.811 -5.603 -1.130 1.00 0.96 C ATOM 0 H LEU A 31 11.446 -6.382 -4.461 1.00 1.19 H new ATOM 0 HA LEU A 31 13.604 -8.098 -3.231 1.00 1.30 H new ATOM 0 HB2 LEU A 31 11.773 -5.991 -2.034 1.00 1.28 H new ATOM 0 HB3 LEU A 31 12.829 -7.042 -1.111 1.00 1.28 H new ATOM 0 HG LEU A 31 14.422 -5.952 -3.225 1.00 1.53 H new ATOM 0 HD11 LEU A 31 14.204 -3.524 -2.780 1.00 2.12 H new ATOM 0 HD12 LEU A 31 12.699 -4.190 -3.457 1.00 2.12 H new ATOM 0 HD13 LEU A 31 12.815 -3.844 -1.715 1.00 2.12 H new ATOM 0 HD21 LEU A 31 15.648 -4.930 -1.317 1.00 0.96 H new ATOM 0 HD22 LEU A 31 14.262 -5.263 -0.252 1.00 0.96 H new ATOM 0 HD23 LEU A 31 15.187 -6.611 -0.955 1.00 0.96 H new ATOM 494 N THR A 32 10.929 -8.671 -1.771 1.00 0.59 N ATOM 495 CA THR A 32 9.859 -9.682 -1.514 1.00 0.54 C ATOM 496 C THR A 32 9.015 -9.245 -0.313 1.00 0.60 C ATOM 497 O THR A 32 9.503 -8.623 0.610 1.00 0.85 O ATOM 498 CB THR A 32 10.496 -11.046 -1.215 1.00 0.67 C ATOM 499 OG1 THR A 32 11.677 -10.857 -0.447 1.00 0.83 O ATOM 500 CG2 THR A 32 10.844 -11.751 -2.528 1.00 0.62 C ATOM 0 H THR A 32 11.123 -8.035 -0.998 1.00 0.59 H new ATOM 0 HA THR A 32 9.225 -9.762 -2.397 1.00 0.54 H new ATOM 0 HB THR A 32 9.792 -11.660 -0.654 1.00 0.67 H new ATOM 0 HG1 THR A 32 12.084 -11.727 -0.254 1.00 0.83 H new ATOM 0 HG21 THR A 32 11.296 -12.719 -2.312 1.00 0.62 H new ATOM 0 HG22 THR A 32 9.937 -11.897 -3.114 1.00 0.62 H new ATOM 0 HG23 THR A 32 11.547 -11.140 -3.094 1.00 0.62 H new ATOM 508 N VAL A 33 7.751 -9.572 -0.316 1.00 0.40 N ATOM 509 CA VAL A 33 6.869 -9.184 0.821 1.00 0.45 C ATOM 510 C VAL A 33 5.817 -10.283 1.036 1.00 0.46 C ATOM 511 O VAL A 33 6.034 -11.428 0.691 1.00 0.53 O ATOM 512 CB VAL A 33 6.194 -7.846 0.501 1.00 0.40 C ATOM 513 CG1 VAL A 33 7.267 -6.793 0.224 1.00 0.56 C ATOM 514 CG2 VAL A 33 5.302 -7.995 -0.735 1.00 0.18 C ATOM 0 H VAL A 33 7.290 -10.094 -1.061 1.00 0.40 H new ATOM 0 HA VAL A 33 7.454 -9.072 1.734 1.00 0.45 H new ATOM 0 HB VAL A 33 5.584 -7.539 1.350 1.00 0.40 H new ATOM 0 HG11 VAL A 33 6.791 -5.839 -0.004 1.00 0.56 H new ATOM 0 HG12 VAL A 33 7.902 -6.680 1.103 1.00 0.56 H new ATOM 0 HG13 VAL A 33 7.875 -7.107 -0.625 1.00 0.56 H new ATOM 0 HG21 VAL A 33 4.825 -7.040 -0.957 1.00 0.18 H new ATOM 0 HG22 VAL A 33 5.908 -8.304 -1.586 1.00 0.18 H new ATOM 0 HG23 VAL A 33 4.536 -8.747 -0.543 1.00 0.18 H new ATOM 524 N THR A 34 4.685 -9.957 1.604 1.00 0.52 N ATOM 525 CA THR A 34 3.641 -10.998 1.832 1.00 0.55 C ATOM 526 C THR A 34 2.607 -10.947 0.705 1.00 0.42 C ATOM 527 O THR A 34 2.352 -9.909 0.128 1.00 0.44 O ATOM 528 CB THR A 34 2.954 -10.736 3.179 1.00 0.65 C ATOM 529 OG1 THR A 34 3.336 -11.745 4.104 1.00 0.85 O ATOM 530 CG2 THR A 34 1.431 -10.751 3.012 1.00 0.51 C ATOM 0 H THR A 34 4.440 -9.018 1.919 1.00 0.52 H new ATOM 0 HA THR A 34 4.104 -11.985 1.845 1.00 0.55 H new ATOM 0 HB THR A 34 3.259 -9.757 3.548 1.00 0.65 H new ATOM 0 HG1 THR A 34 2.900 -11.580 4.966 1.00 0.85 H new ATOM 0 HG21 THR A 34 0.957 -10.564 3.976 1.00 0.51 H new ATOM 0 HG22 THR A 34 1.135 -9.976 2.305 1.00 0.51 H new ATOM 0 HG23 THR A 34 1.116 -11.724 2.636 1.00 0.51 H new ATOM 538 N ASP A 35 2.002 -12.063 0.396 1.00 0.47 N ATOM 539 CA ASP A 35 0.975 -12.085 -0.683 1.00 0.40 C ATOM 540 C ASP A 35 -0.407 -12.241 -0.047 1.00 0.36 C ATOM 541 O ASP A 35 -0.713 -13.251 0.553 1.00 0.45 O ATOM 542 CB ASP A 35 1.239 -13.266 -1.620 1.00 0.56 C ATOM 543 CG ASP A 35 1.218 -12.783 -3.071 1.00 0.93 C ATOM 544 OD1 ASP A 35 1.743 -11.712 -3.326 1.00 1.95 O ATOM 545 OD2 ASP A 35 0.676 -13.493 -3.902 1.00 0.67 O ATOM 0 H ASP A 35 2.176 -12.962 0.846 1.00 0.47 H new ATOM 0 HA ASP A 35 1.020 -11.157 -1.253 1.00 0.40 H new ATOM 0 HB2 ASP A 35 2.204 -13.717 -1.390 1.00 0.56 H new ATOM 0 HB3 ASP A 35 0.483 -14.037 -1.472 1.00 0.56 H new ATOM 550 N ILE A 36 -1.244 -11.249 -0.166 1.00 0.22 N ATOM 551 CA ILE A 36 -2.599 -11.348 0.442 1.00 0.17 C ATOM 552 C ILE A 36 -3.665 -11.562 -0.644 1.00 0.22 C ATOM 553 O ILE A 36 -4.830 -11.735 -0.343 1.00 0.48 O ATOM 554 CB ILE A 36 -2.902 -10.063 1.212 1.00 0.09 C ATOM 555 CG1 ILE A 36 -3.548 -9.043 0.272 1.00 0.23 C ATOM 556 CG2 ILE A 36 -1.600 -9.487 1.774 1.00 0.15 C ATOM 557 CD1 ILE A 36 -3.556 -7.667 0.940 1.00 0.27 C ATOM 0 H ILE A 36 -1.049 -10.376 -0.657 1.00 0.22 H new ATOM 0 HA ILE A 36 -2.619 -12.201 1.121 1.00 0.17 H new ATOM 0 HB ILE A 36 -3.586 -10.284 2.032 1.00 0.09 H new ATOM 0 HG12 ILE A 36 -2.998 -8.999 -0.668 1.00 0.23 H new ATOM 0 HG13 ILE A 36 -4.566 -9.348 0.031 1.00 0.23 H new ATOM 0 HG21 ILE A 36 -1.815 -8.570 2.323 1.00 0.15 H new ATOM 0 HG22 ILE A 36 -1.141 -10.213 2.445 1.00 0.15 H new ATOM 0 HG23 ILE A 36 -0.916 -9.267 0.954 1.00 0.15 H new ATOM 0 HD11 ILE A 36 -4.016 -6.940 0.271 1.00 0.27 H new ATOM 0 HD12 ILE A 36 -4.125 -7.717 1.868 1.00 0.27 H new ATOM 0 HD13 ILE A 36 -2.532 -7.362 1.158 1.00 0.27 H new ATOM 569 N PHE A 37 -3.293 -11.558 -1.900 1.00 0.30 N ATOM 570 CA PHE A 37 -4.308 -11.769 -2.971 1.00 0.30 C ATOM 571 C PHE A 37 -4.361 -13.252 -3.361 1.00 0.28 C ATOM 572 O PHE A 37 -4.830 -13.602 -4.425 1.00 0.15 O ATOM 573 CB PHE A 37 -3.935 -10.936 -4.200 1.00 0.33 C ATOM 574 CG PHE A 37 -3.888 -9.475 -3.824 1.00 0.34 C ATOM 575 CD1 PHE A 37 -5.078 -8.757 -3.652 1.00 0.40 C ATOM 576 CD2 PHE A 37 -2.654 -8.838 -3.649 1.00 0.36 C ATOM 577 CE1 PHE A 37 -5.033 -7.402 -3.304 1.00 0.44 C ATOM 578 CE2 PHE A 37 -2.609 -7.483 -3.301 1.00 0.35 C ATOM 579 CZ PHE A 37 -3.798 -6.765 -3.129 1.00 0.38 C ATOM 0 H PHE A 37 -2.337 -11.419 -2.226 1.00 0.30 H new ATOM 0 HA PHE A 37 -5.285 -11.461 -2.599 1.00 0.30 H new ATOM 0 HB2 PHE A 37 -2.967 -11.254 -4.588 1.00 0.33 H new ATOM 0 HB3 PHE A 37 -4.664 -11.094 -4.995 1.00 0.33 H new ATOM 0 HD1 PHE A 37 -6.030 -9.249 -3.788 1.00 0.40 H new ATOM 0 HD2 PHE A 37 -1.737 -9.392 -3.782 1.00 0.36 H new ATOM 0 HE1 PHE A 37 -5.950 -6.848 -3.170 1.00 0.44 H new ATOM 0 HE2 PHE A 37 -1.657 -6.992 -3.165 1.00 0.35 H new ATOM 0 HZ PHE A 37 -3.763 -5.719 -2.861 1.00 0.38 H new ATOM 589 N ALA A 38 -3.889 -14.130 -2.512 1.00 0.40 N ATOM 590 CA ALA A 38 -3.926 -15.582 -2.848 1.00 0.39 C ATOM 591 C ALA A 38 -4.814 -16.326 -1.842 1.00 0.99 C ATOM 592 O ALA A 38 -4.713 -17.527 -1.686 1.00 1.90 O ATOM 593 CB ALA A 38 -2.507 -16.153 -2.793 1.00 0.89 C ATOM 0 H ALA A 38 -3.482 -13.903 -1.605 1.00 0.40 H new ATOM 0 HA ALA A 38 -4.334 -15.709 -3.851 1.00 0.39 H new ATOM 0 HB1 ALA A 38 -2.532 -17.215 -3.038 1.00 0.89 H new ATOM 0 HB2 ALA A 38 -1.876 -15.629 -3.511 1.00 0.89 H new ATOM 0 HB3 ALA A 38 -2.101 -16.022 -1.790 1.00 0.89 H new ATOM 599 N ALA A 39 -5.683 -15.628 -1.158 1.00 0.64 N ATOM 600 CA ALA A 39 -6.568 -16.306 -0.169 1.00 1.23 C ATOM 601 C ALA A 39 -7.710 -15.366 0.222 1.00 1.06 C ATOM 602 O ALA A 39 -7.652 -14.691 1.231 1.00 1.26 O ATOM 603 CB ALA A 39 -5.755 -16.669 1.076 1.00 1.85 C ATOM 0 H ALA A 39 -5.817 -14.620 -1.242 1.00 0.64 H new ATOM 0 HA ALA A 39 -6.981 -17.213 -0.611 1.00 1.23 H new ATOM 0 HB1 ALA A 39 -6.401 -17.165 1.800 1.00 1.85 H new ATOM 0 HB2 ALA A 39 -4.942 -17.339 0.797 1.00 1.85 H new ATOM 0 HB3 ALA A 39 -5.343 -15.762 1.519 1.00 1.85 H new ATOM 609 N SER A 40 -8.747 -15.314 -0.566 1.00 0.81 N ATOM 610 CA SER A 40 -9.888 -14.416 -0.232 1.00 0.72 C ATOM 611 C SER A 40 -11.191 -15.216 -0.268 1.00 1.00 C ATOM 612 O SER A 40 -11.506 -15.868 -1.244 1.00 1.47 O ATOM 613 CB SER A 40 -9.960 -13.281 -1.254 1.00 0.48 C ATOM 614 OG SER A 40 -8.810 -12.457 -1.121 1.00 1.19 O ATOM 0 H SER A 40 -8.854 -15.853 -1.425 1.00 0.81 H new ATOM 0 HA SER A 40 -9.743 -13.999 0.765 1.00 0.72 H new ATOM 0 HB2 SER A 40 -10.015 -13.688 -2.264 1.00 0.48 H new ATOM 0 HB3 SER A 40 -10.864 -12.692 -1.098 1.00 0.48 H new ATOM 0 HG SER A 40 -8.852 -11.729 -1.776 1.00 1.19 H new ATOM 620 N LYS A 41 -11.955 -15.172 0.790 1.00 0.95 N ATOM 621 CA LYS A 41 -13.235 -15.930 0.814 1.00 1.17 C ATOM 622 C LYS A 41 -14.407 -14.947 0.857 1.00 0.56 C ATOM 623 O LYS A 41 -15.422 -15.147 0.219 1.00 0.67 O ATOM 624 CB LYS A 41 -13.277 -16.826 2.055 1.00 1.76 C ATOM 625 CG LYS A 41 -11.941 -17.558 2.202 1.00 2.88 C ATOM 626 CD LYS A 41 -11.995 -18.482 3.420 1.00 3.76 C ATOM 627 CE LYS A 41 -11.050 -19.667 3.207 1.00 4.49 C ATOM 628 NZ LYS A 41 -11.847 -20.913 3.036 1.00 4.34 N ATOM 0 H LYS A 41 -11.747 -14.644 1.637 1.00 0.95 H new ATOM 0 HA LYS A 41 -13.308 -16.547 -0.082 1.00 1.17 H new ATOM 0 HB2 LYS A 41 -13.475 -16.226 2.943 1.00 1.76 H new ATOM 0 HB3 LYS A 41 -14.091 -17.546 1.969 1.00 1.76 H new ATOM 0 HG2 LYS A 41 -11.731 -18.137 1.303 1.00 2.88 H new ATOM 0 HG3 LYS A 41 -11.130 -16.838 2.314 1.00 2.88 H new ATOM 0 HD2 LYS A 41 -11.710 -17.934 4.318 1.00 3.76 H new ATOM 0 HD3 LYS A 41 -13.013 -18.839 3.574 1.00 3.76 H new ATOM 0 HE2 LYS A 41 -10.428 -19.497 2.328 1.00 4.49 H new ATOM 0 HE3 LYS A 41 -10.377 -19.767 4.059 1.00 4.49 H new ATOM 0 HZ1 LYS A 41 -11.205 -21.718 2.891 1.00 4.34 H new ATOM 0 HZ2 LYS A 41 -12.422 -21.077 3.887 1.00 4.34 H new ATOM 0 HZ3 LYS A 41 -12.471 -20.815 2.210 1.00 4.34 H new ATOM 642 N ASP A 42 -14.274 -13.886 1.603 1.00 0.26 N ATOM 643 CA ASP A 42 -15.378 -12.889 1.689 1.00 0.65 C ATOM 644 C ASP A 42 -14.925 -11.699 2.537 1.00 0.62 C ATOM 645 O ASP A 42 -15.503 -11.401 3.564 1.00 0.87 O ATOM 646 CB ASP A 42 -16.603 -13.542 2.334 1.00 1.41 C ATOM 647 CG ASP A 42 -17.750 -12.531 2.391 1.00 2.58 C ATOM 648 OD1 ASP A 42 -17.709 -11.575 1.635 1.00 3.41 O ATOM 649 OD2 ASP A 42 -18.650 -12.732 3.190 1.00 3.05 O ATOM 0 H ASP A 42 -13.447 -13.666 2.158 1.00 0.26 H new ATOM 0 HA ASP A 42 -15.636 -12.542 0.688 1.00 0.65 H new ATOM 0 HB2 ASP A 42 -16.905 -14.419 1.761 1.00 1.41 H new ATOM 0 HB3 ASP A 42 -16.358 -13.887 3.339 1.00 1.41 H new ATOM 654 N THR A 43 -13.895 -11.018 2.117 1.00 0.46 N ATOM 655 CA THR A 43 -13.402 -9.851 2.900 1.00 0.65 C ATOM 656 C THR A 43 -13.787 -8.553 2.185 1.00 0.72 C ATOM 657 O THR A 43 -14.027 -8.537 0.994 1.00 0.72 O ATOM 658 CB THR A 43 -11.879 -9.933 3.028 1.00 0.71 C ATOM 659 OG1 THR A 43 -11.328 -10.405 1.807 1.00 0.46 O ATOM 660 CG2 THR A 43 -11.512 -10.894 4.160 1.00 0.97 C ATOM 0 H THR A 43 -13.373 -11.220 1.264 1.00 0.46 H new ATOM 0 HA THR A 43 -13.852 -9.863 3.893 1.00 0.65 H new ATOM 0 HB THR A 43 -11.479 -8.944 3.250 1.00 0.71 H new ATOM 0 HG1 THR A 43 -10.353 -10.457 1.887 1.00 0.46 H new ATOM 0 HG21 THR A 43 -10.427 -10.952 4.251 1.00 0.97 H new ATOM 0 HG22 THR A 43 -11.936 -10.532 5.097 1.00 0.97 H new ATOM 0 HG23 THR A 43 -11.911 -11.884 3.940 1.00 0.97 H new ATOM 668 N THR A 44 -13.845 -7.463 2.902 1.00 0.86 N ATOM 669 CA THR A 44 -14.214 -6.166 2.264 1.00 0.97 C ATOM 670 C THR A 44 -12.954 -5.326 2.055 1.00 0.80 C ATOM 671 O THR A 44 -11.851 -5.785 2.268 1.00 1.00 O ATOM 672 CB THR A 44 -15.187 -5.406 3.172 1.00 1.29 C ATOM 673 OG1 THR A 44 -15.250 -6.047 4.439 1.00 1.49 O ATOM 674 CG2 THR A 44 -16.578 -5.387 2.538 1.00 1.47 C ATOM 0 H THR A 44 -13.653 -7.415 3.903 1.00 0.86 H new ATOM 0 HA THR A 44 -14.690 -6.358 1.302 1.00 0.97 H new ATOM 0 HB THR A 44 -14.837 -4.382 3.299 1.00 1.29 H new ATOM 0 HG1 THR A 44 -14.409 -5.902 4.921 1.00 1.49 H new ATOM 0 HG21 THR A 44 -17.266 -4.846 3.187 1.00 1.47 H new ATOM 0 HG22 THR A 44 -16.529 -4.892 1.568 1.00 1.47 H new ATOM 0 HG23 THR A 44 -16.932 -6.410 2.406 1.00 1.47 H new ATOM 682 N GLU A 45 -13.105 -4.097 1.645 1.00 0.66 N ATOM 683 CA GLU A 45 -11.906 -3.236 1.434 1.00 0.56 C ATOM 684 C GLU A 45 -11.385 -2.755 2.788 1.00 0.58 C ATOM 685 O GLU A 45 -10.232 -2.422 2.931 1.00 0.64 O ATOM 686 CB GLU A 45 -12.273 -2.024 0.577 1.00 0.72 C ATOM 687 CG GLU A 45 -13.076 -1.027 1.418 1.00 0.95 C ATOM 688 CD GLU A 45 -13.933 -0.158 0.496 1.00 1.04 C ATOM 689 OE1 GLU A 45 -14.737 -0.716 -0.234 1.00 0.61 O ATOM 690 OE2 GLU A 45 -13.771 1.051 0.535 1.00 2.08 O ATOM 0 H GLU A 45 -14.002 -3.653 1.448 1.00 0.66 H new ATOM 0 HA GLU A 45 -11.137 -3.816 0.923 1.00 0.56 H new ATOM 0 HB2 GLU A 45 -11.370 -1.549 0.195 1.00 0.72 H new ATOM 0 HB3 GLU A 45 -12.857 -2.340 -0.287 1.00 0.72 H new ATOM 0 HG2 GLU A 45 -13.710 -1.560 2.126 1.00 0.95 H new ATOM 0 HG3 GLU A 45 -12.401 -0.401 2.002 1.00 0.95 H new ATOM 697 N LYS A 46 -12.221 -2.708 3.784 1.00 0.54 N ATOM 698 CA LYS A 46 -11.752 -2.244 5.116 1.00 0.56 C ATOM 699 C LYS A 46 -10.856 -3.318 5.743 1.00 0.60 C ATOM 700 O LYS A 46 -9.802 -3.029 6.278 1.00 0.55 O ATOM 701 CB LYS A 46 -12.965 -1.989 6.009 1.00 0.55 C ATOM 702 CG LYS A 46 -13.937 -1.048 5.293 1.00 2.44 C ATOM 703 CD LYS A 46 -15.281 -1.752 5.096 1.00 2.43 C ATOM 704 CE LYS A 46 -16.071 -1.718 6.406 1.00 2.21 C ATOM 705 NZ LYS A 46 -17.481 -2.128 6.147 1.00 2.50 N ATOM 0 H LYS A 46 -13.206 -2.970 3.734 1.00 0.54 H new ATOM 0 HA LYS A 46 -11.180 -1.322 5.010 1.00 0.56 H new ATOM 0 HB2 LYS A 46 -13.461 -2.931 6.245 1.00 0.55 H new ATOM 0 HB3 LYS A 46 -12.648 -1.550 6.955 1.00 0.55 H new ATOM 0 HG2 LYS A 46 -14.074 -0.138 5.876 1.00 2.44 H new ATOM 0 HG3 LYS A 46 -13.526 -0.750 4.328 1.00 2.44 H new ATOM 0 HD2 LYS A 46 -15.848 -1.262 4.304 1.00 2.43 H new ATOM 0 HD3 LYS A 46 -15.121 -2.783 4.782 1.00 2.43 H new ATOM 0 HE2 LYS A 46 -15.615 -2.387 7.136 1.00 2.21 H new ATOM 0 HE3 LYS A 46 -16.045 -0.715 6.833 1.00 2.21 H new ATOM 0 HZ1 LYS A 46 -18.018 -2.105 7.037 1.00 2.50 H new ATOM 0 HZ2 LYS A 46 -17.913 -1.473 5.465 1.00 2.50 H new ATOM 0 HZ3 LYS A 46 -17.496 -3.092 5.758 1.00 2.50 H new ATOM 719 N GLU A 47 -11.264 -4.556 5.679 1.00 0.71 N ATOM 720 CA GLU A 47 -10.436 -5.647 6.269 1.00 0.78 C ATOM 721 C GLU A 47 -9.174 -5.852 5.429 1.00 0.72 C ATOM 722 O GLU A 47 -8.073 -5.869 5.942 1.00 0.76 O ATOM 723 CB GLU A 47 -11.248 -6.943 6.293 1.00 0.92 C ATOM 724 CG GLU A 47 -10.815 -7.793 7.488 1.00 0.88 C ATOM 725 CD GLU A 47 -10.824 -9.271 7.093 1.00 1.16 C ATOM 726 OE1 GLU A 47 -9.814 -9.737 6.592 1.00 2.07 O ATOM 727 OE2 GLU A 47 -11.840 -9.913 7.301 1.00 1.19 O ATOM 0 H GLU A 47 -12.135 -4.860 5.244 1.00 0.71 H new ATOM 0 HA GLU A 47 -10.150 -5.374 7.285 1.00 0.78 H new ATOM 0 HB2 GLU A 47 -12.312 -6.717 6.360 1.00 0.92 H new ATOM 0 HB3 GLU A 47 -11.098 -7.496 5.366 1.00 0.92 H new ATOM 0 HG2 GLU A 47 -9.817 -7.499 7.815 1.00 0.88 H new ATOM 0 HG3 GLU A 47 -11.488 -7.626 8.329 1.00 0.88 H new ATOM 734 N THR A 48 -9.320 -6.016 4.142 1.00 0.68 N ATOM 735 CA THR A 48 -8.122 -6.228 3.279 1.00 0.72 C ATOM 736 C THR A 48 -7.179 -5.028 3.400 1.00 0.60 C ATOM 737 O THR A 48 -5.979 -5.156 3.266 1.00 0.73 O ATOM 738 CB THR A 48 -8.560 -6.385 1.821 1.00 0.77 C ATOM 739 OG1 THR A 48 -9.791 -7.093 1.770 1.00 1.08 O ATOM 740 CG2 THR A 48 -7.491 -7.157 1.047 1.00 1.32 C ATOM 0 H THR A 48 -10.214 -6.012 3.652 1.00 0.68 H new ATOM 0 HA THR A 48 -7.603 -7.130 3.602 1.00 0.72 H new ATOM 0 HB THR A 48 -8.690 -5.400 1.372 1.00 0.77 H new ATOM 0 HG1 THR A 48 -10.525 -6.462 1.615 1.00 1.08 H new ATOM 0 HG21 THR A 48 -7.803 -7.269 0.009 1.00 1.32 H new ATOM 0 HG22 THR A 48 -6.548 -6.611 1.086 1.00 1.32 H new ATOM 0 HG23 THR A 48 -7.358 -8.142 1.494 1.00 1.32 H new ATOM 748 N PHE A 49 -7.709 -3.862 3.655 1.00 0.36 N ATOM 749 CA PHE A 49 -6.838 -2.658 3.786 1.00 0.27 C ATOM 750 C PHE A 49 -6.034 -2.760 5.079 1.00 0.24 C ATOM 751 O PHE A 49 -4.909 -2.312 5.157 1.00 0.21 O ATOM 752 CB PHE A 49 -7.704 -1.398 3.819 1.00 0.17 C ATOM 753 CG PHE A 49 -7.928 -0.901 2.407 1.00 0.31 C ATOM 754 CD1 PHE A 49 -8.125 -1.816 1.365 1.00 1.44 C ATOM 755 CD2 PHE A 49 -7.955 0.474 2.143 1.00 1.04 C ATOM 756 CE1 PHE A 49 -8.350 -1.358 0.064 1.00 1.60 C ATOM 757 CE2 PHE A 49 -8.176 0.932 0.839 1.00 1.06 C ATOM 758 CZ PHE A 49 -8.374 0.015 -0.199 1.00 0.82 C ATOM 0 H PHE A 49 -8.707 -3.691 3.778 1.00 0.36 H new ATOM 0 HA PHE A 49 -6.159 -2.604 2.935 1.00 0.27 H new ATOM 0 HB2 PHE A 49 -8.660 -1.614 4.296 1.00 0.17 H new ATOM 0 HB3 PHE A 49 -7.218 -0.625 4.415 1.00 0.17 H new ATOM 0 HD1 PHE A 49 -8.103 -2.877 1.567 1.00 1.44 H new ATOM 0 HD2 PHE A 49 -7.805 1.181 2.946 1.00 1.04 H new ATOM 0 HE1 PHE A 49 -8.505 -2.064 -0.738 1.00 1.60 H new ATOM 0 HE2 PHE A 49 -8.194 1.992 0.634 1.00 1.06 H new ATOM 0 HZ PHE A 49 -8.546 0.368 -1.205 1.00 0.82 H new ATOM 768 N CYS A 50 -6.601 -3.349 6.096 1.00 0.26 N ATOM 769 CA CYS A 50 -5.861 -3.485 7.382 1.00 0.25 C ATOM 770 C CYS A 50 -4.704 -4.471 7.200 1.00 0.25 C ATOM 771 O CYS A 50 -3.609 -4.246 7.673 1.00 0.23 O ATOM 772 CB CYS A 50 -6.808 -4.009 8.465 1.00 0.27 C ATOM 773 SG CYS A 50 -5.876 -4.304 9.989 1.00 1.03 S ATOM 0 H CYS A 50 -7.543 -3.741 6.092 1.00 0.26 H new ATOM 0 HA CYS A 50 -5.470 -2.512 7.681 1.00 0.25 H new ATOM 0 HB2 CYS A 50 -7.605 -3.288 8.647 1.00 0.27 H new ATOM 0 HB3 CYS A 50 -7.283 -4.932 8.132 1.00 0.27 H new ATOM 778 N ARG A 51 -4.936 -5.562 6.519 1.00 0.28 N ATOM 779 CA ARG A 51 -3.843 -6.557 6.310 1.00 0.29 C ATOM 780 C ARG A 51 -2.685 -5.887 5.572 1.00 0.35 C ATOM 781 O ARG A 51 -1.572 -5.829 6.059 1.00 0.43 O ATOM 782 CB ARG A 51 -4.370 -7.726 5.474 1.00 0.23 C ATOM 783 CG ARG A 51 -4.596 -8.941 6.374 1.00 0.45 C ATOM 784 CD ARG A 51 -5.581 -9.896 5.699 1.00 0.43 C ATOM 785 NE ARG A 51 -4.848 -10.754 4.719 1.00 1.48 N ATOM 786 CZ ARG A 51 -5.410 -11.822 4.201 1.00 1.71 C ATOM 787 NH1 ARG A 51 -6.634 -12.169 4.519 1.00 1.00 N ATOM 788 NH2 ARG A 51 -4.738 -12.549 3.350 1.00 2.82 N ATOM 0 H ARG A 51 -5.833 -5.807 6.099 1.00 0.28 H new ATOM 0 HA ARG A 51 -3.497 -6.928 7.275 1.00 0.29 H new ATOM 0 HB2 ARG A 51 -5.303 -7.445 4.985 1.00 0.23 H new ATOM 0 HB3 ARG A 51 -3.658 -7.972 4.686 1.00 0.23 H new ATOM 0 HG2 ARG A 51 -3.650 -9.449 6.562 1.00 0.45 H new ATOM 0 HG3 ARG A 51 -4.985 -8.624 7.341 1.00 0.45 H new ATOM 0 HD2 ARG A 51 -6.072 -10.518 6.447 1.00 0.43 H new ATOM 0 HD3 ARG A 51 -6.362 -9.331 5.191 1.00 0.43 H new ATOM 0 HE ARG A 51 -3.896 -10.506 4.448 1.00 1.48 H new ATOM 0 HH11 ARG A 51 -7.168 -11.605 5.180 1.00 1.00 H new ATOM 0 HH12 ARG A 51 -7.052 -13.002 4.105 1.00 1.00 H new ATOM 0 HH21 ARG A 51 -3.787 -12.285 3.094 1.00 2.82 H new ATOM 0 HH22 ARG A 51 -5.164 -13.381 2.941 1.00 2.82 H new ATOM 802 N ALA A 52 -2.937 -5.375 4.400 1.00 0.35 N ATOM 803 CA ALA A 52 -1.852 -4.700 3.636 1.00 0.41 C ATOM 804 C ALA A 52 -1.350 -3.484 4.420 1.00 0.39 C ATOM 805 O ALA A 52 -0.260 -2.998 4.191 1.00 0.44 O ATOM 806 CB ALA A 52 -2.389 -4.244 2.280 1.00 0.43 C ATOM 0 H ALA A 52 -3.846 -5.395 3.939 1.00 0.35 H new ATOM 0 HA ALA A 52 -1.029 -5.399 3.485 1.00 0.41 H new ATOM 0 HB1 ALA A 52 -1.594 -3.750 1.721 1.00 0.43 H new ATOM 0 HB2 ALA A 52 -2.743 -5.109 1.719 1.00 0.43 H new ATOM 0 HB3 ALA A 52 -3.214 -3.547 2.431 1.00 0.43 H new ATOM 812 N ALA A 53 -2.131 -2.986 5.345 1.00 0.33 N ATOM 813 CA ALA A 53 -1.686 -1.805 6.137 1.00 0.36 C ATOM 814 C ALA A 53 -0.584 -2.240 7.100 1.00 0.42 C ATOM 815 O ALA A 53 0.336 -1.501 7.381 1.00 0.51 O ATOM 816 CB ALA A 53 -2.868 -1.243 6.929 1.00 0.35 C ATOM 0 H ALA A 53 -3.055 -3.347 5.584 1.00 0.33 H new ATOM 0 HA ALA A 53 -1.306 -1.034 5.467 1.00 0.36 H new ATOM 0 HB1 ALA A 53 -2.541 -0.379 7.508 1.00 0.35 H new ATOM 0 HB2 ALA A 53 -3.657 -0.940 6.240 1.00 0.35 H new ATOM 0 HB3 ALA A 53 -3.250 -2.008 7.604 1.00 0.35 H new ATOM 822 N THR A 54 -0.667 -3.443 7.601 1.00 0.38 N ATOM 823 CA THR A 54 0.380 -3.935 8.536 1.00 0.44 C ATOM 824 C THR A 54 1.658 -4.205 7.743 1.00 0.49 C ATOM 825 O THR A 54 2.723 -3.719 8.074 1.00 0.50 O ATOM 826 CB THR A 54 -0.101 -5.229 9.201 1.00 0.47 C ATOM 827 OG1 THR A 54 -1.070 -4.915 10.192 1.00 0.45 O ATOM 828 CG2 THR A 54 1.085 -5.944 9.853 1.00 0.75 C ATOM 0 H THR A 54 -1.416 -4.106 7.402 1.00 0.38 H new ATOM 0 HA THR A 54 0.576 -3.189 9.307 1.00 0.44 H new ATOM 0 HB THR A 54 -0.545 -5.882 8.449 1.00 0.47 H new ATOM 0 HG1 THR A 54 -1.034 -5.584 10.908 1.00 0.45 H new ATOM 0 HG21 THR A 54 0.740 -6.864 10.325 1.00 0.75 H new ATOM 0 HG22 THR A 54 1.829 -6.183 9.093 1.00 0.75 H new ATOM 0 HG23 THR A 54 1.532 -5.295 10.606 1.00 0.75 H new ATOM 836 N VAL A 55 1.558 -4.961 6.684 1.00 0.56 N ATOM 837 CA VAL A 55 2.765 -5.240 5.861 1.00 0.63 C ATOM 838 C VAL A 55 3.374 -3.910 5.408 1.00 0.60 C ATOM 839 O VAL A 55 4.567 -3.795 5.212 1.00 0.61 O ATOM 840 CB VAL A 55 2.372 -6.073 4.637 1.00 0.66 C ATOM 841 CG1 VAL A 55 3.577 -6.218 3.708 1.00 0.64 C ATOM 842 CG2 VAL A 55 1.913 -7.461 5.093 1.00 0.76 C ATOM 0 H VAL A 55 0.696 -5.395 6.355 1.00 0.56 H new ATOM 0 HA VAL A 55 3.494 -5.797 6.450 1.00 0.63 H new ATOM 0 HB VAL A 55 1.561 -5.575 4.105 1.00 0.66 H new ATOM 0 HG11 VAL A 55 3.296 -6.811 2.838 1.00 0.64 H new ATOM 0 HG12 VAL A 55 3.907 -5.231 3.384 1.00 0.64 H new ATOM 0 HG13 VAL A 55 4.388 -6.716 4.239 1.00 0.64 H new ATOM 0 HG21 VAL A 55 1.633 -8.055 4.223 1.00 0.76 H new ATOM 0 HG22 VAL A 55 2.725 -7.956 5.625 1.00 0.76 H new ATOM 0 HG23 VAL A 55 1.054 -7.360 5.756 1.00 0.76 H new ATOM 852 N LEU A 56 2.559 -2.898 5.250 1.00 0.56 N ATOM 853 CA LEU A 56 3.087 -1.573 4.824 1.00 0.53 C ATOM 854 C LEU A 56 3.883 -0.962 5.976 1.00 0.51 C ATOM 855 O LEU A 56 4.927 -0.374 5.778 1.00 0.56 O ATOM 856 CB LEU A 56 1.921 -0.648 4.462 1.00 0.49 C ATOM 857 CG LEU A 56 2.057 -0.195 3.007 1.00 0.59 C ATOM 858 CD1 LEU A 56 1.372 -1.209 2.089 1.00 0.44 C ATOM 859 CD2 LEU A 56 1.395 1.175 2.834 1.00 0.81 C ATOM 0 H LEU A 56 1.551 -2.935 5.398 1.00 0.56 H new ATOM 0 HA LEU A 56 3.731 -1.696 3.953 1.00 0.53 H new ATOM 0 HB2 LEU A 56 0.974 -1.168 4.604 1.00 0.49 H new ATOM 0 HB3 LEU A 56 1.912 0.218 5.124 1.00 0.49 H new ATOM 0 HG LEU A 56 3.113 -0.125 2.748 1.00 0.59 H new ATOM 0 HD11 LEU A 56 1.469 -0.885 1.053 1.00 0.44 H new ATOM 0 HD12 LEU A 56 1.842 -2.185 2.210 1.00 0.44 H new ATOM 0 HD13 LEU A 56 0.316 -1.280 2.349 1.00 0.44 H new ATOM 0 HD21 LEU A 56 1.492 1.498 1.797 1.00 0.81 H new ATOM 0 HD22 LEU A 56 0.339 1.104 3.095 1.00 0.81 H new ATOM 0 HD23 LEU A 56 1.882 1.900 3.487 1.00 0.81 H new ATOM 871 N ARG A 57 3.403 -1.103 7.181 1.00 0.53 N ATOM 872 CA ARG A 57 4.139 -0.538 8.344 1.00 0.54 C ATOM 873 C ARG A 57 5.560 -1.102 8.350 1.00 0.60 C ATOM 874 O ARG A 57 6.511 -0.417 8.667 1.00 0.70 O ATOM 875 CB ARG A 57 3.428 -0.925 9.642 1.00 0.58 C ATOM 876 CG ARG A 57 2.466 0.194 10.050 1.00 1.60 C ATOM 877 CD ARG A 57 2.006 -0.022 11.494 1.00 1.48 C ATOM 878 NE ARG A 57 0.672 -0.692 11.495 1.00 2.71 N ATOM 879 CZ ARG A 57 0.189 -1.233 12.590 1.00 2.88 C ATOM 880 NH1 ARG A 57 0.853 -1.192 13.720 1.00 1.69 N ATOM 881 NH2 ARG A 57 -0.977 -1.819 12.552 1.00 4.45 N ATOM 0 H ARG A 57 2.533 -1.585 7.409 1.00 0.53 H new ATOM 0 HA ARG A 57 4.172 0.549 8.267 1.00 0.54 H new ATOM 0 HB2 ARG A 57 2.881 -1.858 9.505 1.00 0.58 H new ATOM 0 HB3 ARG A 57 4.159 -1.097 10.432 1.00 0.58 H new ATOM 0 HG2 ARG A 57 2.958 1.162 9.956 1.00 1.60 H new ATOM 0 HG3 ARG A 57 1.605 0.208 9.382 1.00 1.60 H new ATOM 0 HD2 ARG A 57 2.732 -0.632 12.031 1.00 1.48 H new ATOM 0 HD3 ARG A 57 1.946 0.934 12.015 1.00 1.48 H new ATOM 0 HE ARG A 57 0.128 -0.730 10.633 1.00 2.71 H new ATOM 0 HH11 ARG A 57 1.763 -0.733 13.760 1.00 1.69 H new ATOM 0 HH12 ARG A 57 0.459 -1.619 14.559 1.00 1.69 H new ATOM 0 HH21 ARG A 57 -1.502 -1.853 11.678 1.00 4.45 H new ATOM 0 HH22 ARG A 57 -1.363 -2.243 13.396 1.00 4.45 H new ATOM 895 N GLN A 58 5.707 -2.350 7.995 1.00 0.54 N ATOM 896 CA GLN A 58 7.064 -2.962 7.971 1.00 0.59 C ATOM 897 C GLN A 58 7.846 -2.408 6.777 1.00 0.59 C ATOM 898 O GLN A 58 9.048 -2.259 6.824 1.00 0.67 O ATOM 899 CB GLN A 58 6.937 -4.482 7.842 1.00 0.63 C ATOM 900 CG GLN A 58 7.905 -5.160 8.814 1.00 0.77 C ATOM 901 CD GLN A 58 8.371 -6.492 8.226 1.00 0.61 C ATOM 902 OE1 GLN A 58 9.525 -6.851 8.344 1.00 1.72 O ATOM 903 NE2 GLN A 58 7.515 -7.246 7.592 1.00 1.30 N ATOM 0 H GLN A 58 4.946 -2.971 7.721 1.00 0.54 H new ATOM 0 HA GLN A 58 7.591 -2.722 8.895 1.00 0.59 H new ATOM 0 HB2 GLN A 58 5.914 -4.791 8.056 1.00 0.63 H new ATOM 0 HB3 GLN A 58 7.156 -4.790 6.820 1.00 0.63 H new ATOM 0 HG2 GLN A 58 8.762 -4.513 9.000 1.00 0.77 H new ATOM 0 HG3 GLN A 58 7.416 -5.326 9.774 1.00 0.77 H new ATOM 0 HE21 GLN A 58 6.546 -6.945 7.493 1.00 1.30 H new ATOM 0 HE22 GLN A 58 7.815 -8.137 7.196 1.00 1.30 H new ATOM 912 N PHE A 59 7.166 -2.097 5.707 1.00 0.52 N ATOM 913 CA PHE A 59 7.864 -1.546 4.507 1.00 0.52 C ATOM 914 C PHE A 59 8.594 -0.253 4.886 1.00 0.59 C ATOM 915 O PHE A 59 9.756 -0.074 4.584 1.00 0.71 O ATOM 916 CB PHE A 59 6.826 -1.245 3.420 1.00 0.51 C ATOM 917 CG PHE A 59 7.501 -1.165 2.069 1.00 0.55 C ATOM 918 CD1 PHE A 59 7.645 -2.319 1.289 1.00 0.93 C ATOM 919 CD2 PHE A 59 7.977 0.064 1.595 1.00 0.70 C ATOM 920 CE1 PHE A 59 8.266 -2.245 0.036 1.00 1.24 C ATOM 921 CE2 PHE A 59 8.598 0.138 0.342 1.00 0.92 C ATOM 922 CZ PHE A 59 8.744 -1.017 -0.437 1.00 1.16 C ATOM 0 H PHE A 59 6.156 -2.200 5.611 1.00 0.52 H new ATOM 0 HA PHE A 59 8.587 -2.273 4.137 1.00 0.52 H new ATOM 0 HB2 PHE A 59 6.063 -2.023 3.409 1.00 0.51 H new ATOM 0 HB3 PHE A 59 6.320 -0.305 3.639 1.00 0.51 H new ATOM 0 HD1 PHE A 59 7.277 -3.267 1.654 1.00 0.93 H new ATOM 0 HD2 PHE A 59 7.865 0.954 2.196 1.00 0.70 H new ATOM 0 HE1 PHE A 59 8.376 -3.135 -0.565 1.00 1.24 H new ATOM 0 HE2 PHE A 59 8.964 1.086 -0.024 1.00 0.92 H new ATOM 0 HZ PHE A 59 9.225 -0.960 -1.402 1.00 1.16 H new ATOM 932 N TYR A 60 7.922 0.658 5.536 1.00 0.54 N ATOM 933 CA TYR A 60 8.588 1.938 5.916 1.00 0.62 C ATOM 934 C TYR A 60 9.221 1.839 7.310 1.00 0.68 C ATOM 935 O TYR A 60 9.870 2.761 7.762 1.00 0.83 O ATOM 936 CB TYR A 60 7.560 3.070 5.910 1.00 0.52 C ATOM 937 CG TYR A 60 7.051 3.292 7.315 1.00 0.47 C ATOM 938 CD1 TYR A 60 6.009 2.503 7.814 1.00 0.32 C ATOM 939 CD2 TYR A 60 7.624 4.285 8.120 1.00 0.80 C ATOM 940 CE1 TYR A 60 5.539 2.705 9.116 1.00 0.62 C ATOM 941 CE2 TYR A 60 7.154 4.487 9.423 1.00 0.93 C ATOM 942 CZ TYR A 60 6.112 3.696 9.921 1.00 0.84 C ATOM 943 OH TYR A 60 5.650 3.896 11.205 1.00 1.11 O ATOM 0 H TYR A 60 6.946 0.573 5.819 1.00 0.54 H new ATOM 0 HA TYR A 60 9.376 2.141 5.191 1.00 0.62 H new ATOM 0 HB2 TYR A 60 8.012 3.985 5.526 1.00 0.52 H new ATOM 0 HB3 TYR A 60 6.732 2.821 5.246 1.00 0.52 H new ATOM 0 HD1 TYR A 60 5.567 1.737 7.194 1.00 0.32 H new ATOM 0 HD2 TYR A 60 8.428 4.895 7.735 1.00 0.80 H new ATOM 0 HE1 TYR A 60 4.734 2.096 9.500 1.00 0.62 H new ATOM 0 HE2 TYR A 60 7.595 5.253 10.044 1.00 0.93 H new ATOM 0 HH TYR A 60 6.157 4.621 11.626 1.00 1.11 H new ATOM 953 N SER A 61 9.043 0.752 8.005 1.00 0.62 N ATOM 954 CA SER A 61 9.649 0.648 9.358 1.00 0.74 C ATOM 955 C SER A 61 11.046 0.031 9.250 1.00 0.84 C ATOM 956 O SER A 61 12.041 0.654 9.560 1.00 0.72 O ATOM 957 CB SER A 61 8.768 -0.232 10.246 1.00 0.71 C ATOM 958 OG SER A 61 7.643 0.518 10.682 1.00 1.40 O ATOM 0 H SER A 61 8.509 -0.061 7.698 1.00 0.62 H new ATOM 0 HA SER A 61 9.727 1.643 9.796 1.00 0.74 H new ATOM 0 HB2 SER A 61 8.440 -1.113 9.694 1.00 0.71 H new ATOM 0 HB3 SER A 61 9.337 -0.587 11.105 1.00 0.71 H new ATOM 0 HG SER A 61 6.927 0.451 10.016 1.00 1.40 H new ATOM 964 N HIS A 62 11.118 -1.197 8.821 1.00 1.06 N ATOM 965 CA HIS A 62 12.440 -1.879 8.695 1.00 1.15 C ATOM 966 C HIS A 62 13.005 -1.696 7.283 1.00 1.18 C ATOM 967 O HIS A 62 14.197 -1.552 7.094 1.00 1.18 O ATOM 968 CB HIS A 62 12.262 -3.372 8.973 1.00 1.44 C ATOM 969 CG HIS A 62 11.727 -3.565 10.365 1.00 1.97 C ATOM 970 ND1 HIS A 62 10.862 -4.598 10.687 1.00 2.93 N ATOM 971 CD2 HIS A 62 11.923 -2.862 11.528 1.00 2.30 C ATOM 972 CE1 HIS A 62 10.571 -4.490 11.996 1.00 3.46 C ATOM 973 NE2 HIS A 62 11.191 -3.447 12.557 1.00 3.04 N ATOM 0 H HIS A 62 10.314 -1.763 8.550 1.00 1.06 H new ATOM 0 HA HIS A 62 13.133 -1.441 9.413 1.00 1.15 H new ATOM 0 HB2 HIS A 62 11.578 -3.809 8.246 1.00 1.44 H new ATOM 0 HB3 HIS A 62 13.215 -3.889 8.864 1.00 1.44 H new ATOM 0 HD2 HIS A 62 12.550 -1.988 11.629 1.00 2.30 H new ATOM 0 HE1 HIS A 62 9.916 -5.164 12.529 1.00 3.46 H new ATOM 0 HE2 HIS A 62 11.139 -3.145 13.530 1.00 3.04 H new ATOM 981 N HIS A 63 12.160 -1.733 6.291 1.00 1.27 N ATOM 982 CA HIS A 63 12.640 -1.598 4.885 1.00 1.38 C ATOM 983 C HIS A 63 12.661 -0.119 4.451 1.00 1.23 C ATOM 984 O HIS A 63 12.702 0.190 3.277 1.00 1.38 O ATOM 985 CB HIS A 63 11.704 -2.409 3.979 1.00 1.75 C ATOM 986 CG HIS A 63 12.181 -2.363 2.555 1.00 0.24 C ATOM 987 ND1 HIS A 63 13.522 -2.455 2.218 1.00 0.72 N ATOM 988 CD2 HIS A 63 11.502 -2.233 1.372 1.00 1.49 C ATOM 989 CE1 HIS A 63 13.606 -2.378 0.876 1.00 2.14 C ATOM 990 NE2 HIS A 63 12.403 -2.243 0.311 1.00 2.74 N ATOM 0 H HIS A 63 11.152 -1.852 6.393 1.00 1.27 H new ATOM 0 HA HIS A 63 13.659 -1.976 4.807 1.00 1.38 H new ATOM 0 HB2 HIS A 63 11.662 -3.443 4.322 1.00 1.75 H new ATOM 0 HB3 HIS A 63 10.691 -2.011 4.043 1.00 1.75 H new ATOM 0 HD1 HIS A 63 14.302 -2.561 2.867 1.00 0.72 H new ATOM 0 HD2 HIS A 63 10.430 -2.137 1.277 1.00 1.49 H new ATOM 0 HE1 HIS A 63 14.533 -2.420 0.324 1.00 2.14 H new ATOM 998 N GLU A 64 12.653 0.801 5.380 1.00 1.04 N ATOM 999 CA GLU A 64 12.694 2.242 4.989 1.00 0.94 C ATOM 1000 C GLU A 64 14.151 2.698 4.910 1.00 0.78 C ATOM 1001 O GLU A 64 14.509 3.536 4.106 1.00 0.96 O ATOM 1002 CB GLU A 64 11.951 3.084 6.031 1.00 0.80 C ATOM 1003 CG GLU A 64 12.641 4.441 6.185 1.00 0.46 C ATOM 1004 CD GLU A 64 11.726 5.391 6.963 1.00 0.68 C ATOM 1005 OE1 GLU A 64 11.102 4.939 7.910 1.00 1.18 O ATOM 1006 OE2 GLU A 64 11.664 6.553 6.597 1.00 1.36 O ATOM 0 H GLU A 64 12.620 0.620 6.383 1.00 1.04 H new ATOM 0 HA GLU A 64 12.214 2.369 4.019 1.00 0.94 H new ATOM 0 HB2 GLU A 64 10.914 3.225 5.726 1.00 0.80 H new ATOM 0 HB3 GLU A 64 11.934 2.563 6.988 1.00 0.80 H new ATOM 0 HG2 GLU A 64 13.590 4.322 6.709 1.00 0.46 H new ATOM 0 HG3 GLU A 64 12.869 4.859 5.204 1.00 0.46 H new ATOM 1013 N LYS A 65 14.997 2.147 5.738 1.00 0.61 N ATOM 1014 CA LYS A 65 16.433 2.541 5.714 1.00 0.47 C ATOM 1015 C LYS A 65 17.264 1.371 5.183 1.00 0.59 C ATOM 1016 O LYS A 65 18.236 0.962 5.786 1.00 0.64 O ATOM 1017 CB LYS A 65 16.891 2.885 7.133 1.00 0.44 C ATOM 1018 CG LYS A 65 17.930 4.007 7.079 1.00 0.64 C ATOM 1019 CD LYS A 65 17.775 4.902 8.310 1.00 0.47 C ATOM 1020 CE LYS A 65 19.150 5.173 8.921 1.00 0.85 C ATOM 1021 NZ LYS A 65 19.800 6.303 8.197 1.00 1.45 N ATOM 0 H LYS A 65 14.754 1.439 6.431 1.00 0.61 H new ATOM 0 HA LYS A 65 16.565 3.410 5.070 1.00 0.47 H new ATOM 0 HB2 LYS A 65 16.038 3.195 7.736 1.00 0.44 H new ATOM 0 HB3 LYS A 65 17.317 2.004 7.612 1.00 0.44 H new ATOM 0 HG2 LYS A 65 18.935 3.586 7.046 1.00 0.64 H new ATOM 0 HG3 LYS A 65 17.800 4.594 6.170 1.00 0.64 H new ATOM 0 HD2 LYS A 65 17.298 5.842 8.032 1.00 0.47 H new ATOM 0 HD3 LYS A 65 17.128 4.421 9.043 1.00 0.47 H new ATOM 0 HE2 LYS A 65 19.049 5.415 9.979 1.00 0.85 H new ATOM 0 HE3 LYS A 65 19.771 4.280 8.856 1.00 0.85 H new ATOM 0 HZ1 LYS A 65 20.736 6.489 8.612 1.00 1.45 H new ATOM 0 HZ2 LYS A 65 19.909 6.055 7.193 1.00 1.45 H new ATOM 0 HZ3 LYS A 65 19.209 7.155 8.281 1.00 1.45 H new ATOM 1035 N ASP A 66 16.881 0.826 4.062 1.00 0.68 N ATOM 1036 CA ASP A 66 17.641 -0.323 3.493 1.00 0.86 C ATOM 1037 C ASP A 66 18.727 0.191 2.546 1.00 0.53 C ATOM 1038 O ASP A 66 18.520 1.120 1.791 1.00 0.31 O ATOM 1039 CB ASP A 66 16.681 -1.231 2.722 1.00 1.10 C ATOM 1040 CG ASP A 66 17.064 -2.693 2.955 1.00 1.55 C ATOM 1041 OD1 ASP A 66 18.170 -3.061 2.596 1.00 1.82 O ATOM 1042 OD2 ASP A 66 16.243 -3.423 3.488 1.00 2.50 O ATOM 0 H ASP A 66 16.074 1.126 3.515 1.00 0.68 H new ATOM 0 HA ASP A 66 18.108 -0.884 4.303 1.00 0.86 H new ATOM 0 HB2 ASP A 66 15.656 -1.056 3.049 1.00 1.10 H new ATOM 0 HB3 ASP A 66 16.720 -0.999 1.658 1.00 1.10 H new ATOM 1047 N THR A 67 19.884 -0.410 2.580 1.00 0.56 N ATOM 1048 CA THR A 67 20.988 0.040 1.684 1.00 0.44 C ATOM 1049 C THR A 67 20.622 -0.252 0.225 1.00 0.10 C ATOM 1050 O THR A 67 21.077 0.416 -0.682 1.00 0.37 O ATOM 1051 CB THR A 67 22.275 -0.706 2.046 1.00 0.80 C ATOM 1052 OG1 THR A 67 23.265 -0.444 1.062 1.00 1.27 O ATOM 1053 CG2 THR A 67 22.002 -2.211 2.109 1.00 2.66 C ATOM 0 H THR A 67 20.114 -1.194 3.190 1.00 0.56 H new ATOM 0 HA THR A 67 21.140 1.112 1.810 1.00 0.44 H new ATOM 0 HB THR A 67 22.628 -0.365 3.019 1.00 0.80 H new ATOM 0 HG1 THR A 67 24.090 -0.920 1.293 1.00 1.27 H new ATOM 0 HG21 THR A 67 22.921 -2.737 2.367 1.00 2.66 H new ATOM 0 HG22 THR A 67 21.244 -2.412 2.866 1.00 2.66 H new ATOM 0 HG23 THR A 67 21.646 -2.557 1.139 1.00 2.66 H new ATOM 1061 N ARG A 68 19.810 -1.246 -0.012 1.00 0.41 N ATOM 1062 CA ARG A 68 19.425 -1.577 -1.413 1.00 0.73 C ATOM 1063 C ARG A 68 18.517 -0.479 -1.973 1.00 0.64 C ATOM 1064 O ARG A 68 18.846 0.177 -2.941 1.00 1.15 O ATOM 1065 CB ARG A 68 18.683 -2.916 -1.434 1.00 1.09 C ATOM 1066 CG ARG A 68 19.669 -4.041 -1.747 1.00 1.72 C ATOM 1067 CD ARG A 68 19.140 -5.358 -1.176 1.00 1.18 C ATOM 1068 NE ARG A 68 18.993 -6.352 -2.278 1.00 2.58 N ATOM 1069 CZ ARG A 68 18.823 -7.629 -2.021 1.00 2.71 C ATOM 1070 NH1 ARG A 68 18.770 -8.074 -0.789 1.00 1.91 N ATOM 1071 NH2 ARG A 68 18.701 -8.471 -3.011 1.00 3.97 N ATOM 0 H ARG A 68 19.397 -1.843 0.704 1.00 0.41 H new ATOM 0 HA ARG A 68 20.323 -1.648 -2.027 1.00 0.73 H new ATOM 0 HB2 ARG A 68 18.206 -3.094 -0.471 1.00 1.09 H new ATOM 0 HB3 ARG A 68 17.891 -2.893 -2.183 1.00 1.09 H new ATOM 0 HG2 ARG A 68 19.806 -4.129 -2.825 1.00 1.72 H new ATOM 0 HG3 ARG A 68 20.645 -3.813 -1.319 1.00 1.72 H new ATOM 0 HD2 ARG A 68 19.823 -5.739 -0.417 1.00 1.18 H new ATOM 0 HD3 ARG A 68 18.179 -5.195 -0.687 1.00 1.18 H new ATOM 0 HE ARG A 68 19.025 -6.035 -3.247 1.00 2.58 H new ATOM 0 HH11 ARG A 68 18.861 -7.425 -0.008 1.00 1.91 H new ATOM 0 HH12 ARG A 68 18.637 -9.070 -0.612 1.00 1.91 H new ATOM 0 HH21 ARG A 68 18.738 -8.135 -3.973 1.00 3.97 H new ATOM 0 HH22 ARG A 68 18.569 -9.465 -2.822 1.00 3.97 H new ATOM 1085 N CYS A 69 17.376 -0.273 -1.374 1.00 0.29 N ATOM 1086 CA CYS A 69 16.450 0.783 -1.876 1.00 0.39 C ATOM 1087 C CYS A 69 17.075 2.174 -1.694 1.00 0.67 C ATOM 1088 O CYS A 69 16.607 3.144 -2.257 1.00 1.09 O ATOM 1089 CB CYS A 69 15.133 0.714 -1.099 1.00 0.34 C ATOM 1090 SG CYS A 69 13.911 -0.206 -2.067 1.00 1.21 S ATOM 0 H CYS A 69 17.045 -0.790 -0.559 1.00 0.29 H new ATOM 0 HA CYS A 69 16.266 0.615 -2.937 1.00 0.39 H new ATOM 0 HB2 CYS A 69 15.291 0.228 -0.136 1.00 0.34 H new ATOM 0 HB3 CYS A 69 14.767 1.720 -0.892 1.00 0.34 H new ATOM 1095 N LEU A 70 18.123 2.288 -0.912 1.00 0.54 N ATOM 1096 CA LEU A 70 18.759 3.623 -0.707 1.00 0.89 C ATOM 1097 C LEU A 70 19.088 4.252 -2.064 1.00 1.27 C ATOM 1098 O LEU A 70 18.887 5.431 -2.275 1.00 2.00 O ATOM 1099 CB LEU A 70 20.047 3.452 0.101 1.00 0.57 C ATOM 1100 CG LEU A 70 20.051 4.435 1.273 1.00 0.84 C ATOM 1101 CD1 LEU A 70 19.898 5.862 0.743 1.00 1.51 C ATOM 1102 CD2 LEU A 70 18.886 4.114 2.212 1.00 1.99 C ATOM 0 H LEU A 70 18.562 1.516 -0.410 1.00 0.54 H new ATOM 0 HA LEU A 70 18.071 4.273 -0.166 1.00 0.89 H new ATOM 0 HB2 LEU A 70 20.124 2.429 0.471 1.00 0.57 H new ATOM 0 HB3 LEU A 70 20.914 3.626 -0.536 1.00 0.57 H new ATOM 0 HG LEU A 70 20.992 4.347 1.816 1.00 0.84 H new ATOM 0 HD11 LEU A 70 19.901 6.563 1.578 1.00 1.51 H new ATOM 0 HD12 LEU A 70 20.727 6.092 0.073 1.00 1.51 H new ATOM 0 HD13 LEU A 70 18.957 5.949 0.199 1.00 1.51 H new ATOM 0 HD21 LEU A 70 18.888 4.814 3.047 1.00 1.99 H new ATOM 0 HD22 LEU A 70 17.946 4.201 1.668 1.00 1.99 H new ATOM 0 HD23 LEU A 70 18.993 3.097 2.590 1.00 1.99 H new ATOM 1114 N GLY A 71 19.588 3.475 -2.985 1.00 1.37 N ATOM 1115 CA GLY A 71 19.923 4.031 -4.326 1.00 2.03 C ATOM 1116 C GLY A 71 21.413 4.370 -4.386 1.00 1.81 C ATOM 1117 O GLY A 71 22.094 4.403 -3.381 1.00 1.90 O ATOM 0 H GLY A 71 19.779 2.480 -2.867 1.00 1.37 H new ATOM 0 HA2 GLY A 71 19.673 3.308 -5.103 1.00 2.03 H new ATOM 0 HA3 GLY A 71 19.329 4.924 -4.519 1.00 2.03 H new ATOM 1121 N ALA A 72 21.924 4.626 -5.560 1.00 1.67 N ATOM 1122 CA ALA A 72 23.369 4.964 -5.686 1.00 1.61 C ATOM 1123 C ALA A 72 23.518 6.286 -6.441 1.00 1.68 C ATOM 1124 O ALA A 72 24.451 6.478 -7.196 1.00 1.92 O ATOM 1125 CB ALA A 72 24.090 3.852 -6.453 1.00 1.71 C ATOM 0 H ALA A 72 21.403 4.615 -6.437 1.00 1.67 H new ATOM 0 HA ALA A 72 23.808 5.061 -4.693 1.00 1.61 H new ATOM 0 HB1 ALA A 72 25.147 4.100 -6.545 1.00 1.71 H new ATOM 0 HB2 ALA A 72 23.984 2.910 -5.914 1.00 1.71 H new ATOM 0 HB3 ALA A 72 23.653 3.753 -7.447 1.00 1.71 H new ATOM 1131 N THR A 73 22.607 7.199 -6.245 1.00 1.60 N ATOM 1132 CA THR A 73 22.698 8.507 -6.953 1.00 1.67 C ATOM 1133 C THR A 73 21.848 9.545 -6.217 1.00 1.90 C ATOM 1134 O THR A 73 20.953 9.210 -5.467 1.00 2.04 O ATOM 1135 CB THR A 73 22.186 8.351 -8.387 1.00 1.76 C ATOM 1136 OG1 THR A 73 21.974 9.636 -8.955 1.00 2.74 O ATOM 1137 CG2 THR A 73 20.869 7.572 -8.380 1.00 2.68 C ATOM 0 H THR A 73 21.804 7.096 -5.625 1.00 1.60 H new ATOM 0 HA THR A 73 23.737 8.836 -6.974 1.00 1.67 H new ATOM 0 HB THR A 73 22.923 7.808 -8.978 1.00 1.76 H new ATOM 0 HG1 THR A 73 21.648 9.538 -9.874 1.00 2.74 H new ATOM 0 HG21 THR A 73 20.506 7.462 -9.402 1.00 2.68 H new ATOM 0 HG22 THR A 73 21.032 6.586 -7.945 1.00 2.68 H new ATOM 0 HG23 THR A 73 20.130 8.112 -7.789 1.00 2.68 H new ATOM 1145 N ALA A 74 22.119 10.804 -6.426 1.00 1.93 N ATOM 1146 CA ALA A 74 21.326 11.861 -5.738 1.00 2.15 C ATOM 1147 C ALA A 74 19.877 11.821 -6.234 1.00 2.12 C ATOM 1148 O ALA A 74 18.960 12.180 -5.524 1.00 2.19 O ATOM 1149 CB ALA A 74 21.933 13.233 -6.044 1.00 2.50 C ATOM 0 H ALA A 74 22.855 11.146 -7.043 1.00 1.93 H new ATOM 0 HA ALA A 74 21.345 11.686 -4.662 1.00 2.15 H new ATOM 0 HB1 ALA A 74 21.354 14.007 -5.541 1.00 2.50 H new ATOM 0 HB2 ALA A 74 22.963 13.262 -5.689 1.00 2.50 H new ATOM 0 HB3 ALA A 74 21.915 13.407 -7.120 1.00 2.50 H new ATOM 1155 N GLN A 75 19.665 11.388 -7.447 1.00 2.07 N ATOM 1156 CA GLN A 75 18.276 11.327 -7.985 1.00 2.15 C ATOM 1157 C GLN A 75 17.473 10.273 -7.219 1.00 1.85 C ATOM 1158 O GLN A 75 16.437 10.558 -6.652 1.00 1.68 O ATOM 1159 CB GLN A 75 18.320 10.953 -9.469 1.00 2.24 C ATOM 1160 CG GLN A 75 18.874 12.128 -10.277 1.00 2.15 C ATOM 1161 CD GLN A 75 17.874 12.515 -11.368 1.00 2.89 C ATOM 1162 OE1 GLN A 75 17.228 11.664 -11.947 1.00 3.71 O ATOM 1163 NE2 GLN A 75 17.717 13.773 -11.675 1.00 3.04 N ATOM 0 H GLN A 75 20.393 11.074 -8.088 1.00 2.07 H new ATOM 0 HA GLN A 75 17.800 12.301 -7.867 1.00 2.15 H new ATOM 0 HB2 GLN A 75 18.945 10.072 -9.614 1.00 2.24 H new ATOM 0 HB3 GLN A 75 17.320 10.696 -9.820 1.00 2.24 H new ATOM 0 HG2 GLN A 75 19.060 12.979 -9.621 1.00 2.15 H new ATOM 0 HG3 GLN A 75 19.830 11.856 -10.725 1.00 2.15 H new ATOM 0 HE21 GLN A 75 18.259 14.488 -11.189 1.00 3.04 H new ATOM 0 HE22 GLN A 75 17.052 14.042 -12.401 1.00 3.04 H new ATOM 1172 N GLN A 76 17.942 9.055 -7.201 1.00 1.79 N ATOM 1173 CA GLN A 76 17.206 7.980 -6.477 1.00 1.50 C ATOM 1174 C GLN A 76 17.075 8.342 -4.993 1.00 1.29 C ATOM 1175 O GLN A 76 16.176 7.890 -4.315 1.00 1.07 O ATOM 1176 CB GLN A 76 17.969 6.660 -6.613 1.00 1.42 C ATOM 1177 CG GLN A 76 18.151 6.325 -8.095 1.00 1.49 C ATOM 1178 CD GLN A 76 17.012 5.415 -8.559 1.00 1.98 C ATOM 1179 OE1 GLN A 76 16.015 5.277 -7.879 1.00 2.66 O ATOM 1180 NE2 GLN A 76 17.118 4.783 -9.695 1.00 2.33 N ATOM 0 H GLN A 76 18.804 8.758 -7.657 1.00 1.79 H new ATOM 0 HA GLN A 76 16.211 7.876 -6.909 1.00 1.50 H new ATOM 0 HB2 GLN A 76 18.941 6.738 -6.125 1.00 1.42 H new ATOM 0 HB3 GLN A 76 17.424 5.860 -6.113 1.00 1.42 H new ATOM 0 HG2 GLN A 76 18.162 7.241 -8.686 1.00 1.49 H new ATOM 0 HG3 GLN A 76 19.111 5.832 -8.252 1.00 1.49 H new ATOM 0 HE21 GLN A 76 17.955 4.898 -10.267 1.00 2.33 H new ATOM 0 HE22 GLN A 76 16.364 4.173 -10.012 1.00 2.33 H new ATOM 1189 N PHE A 77 17.967 9.148 -4.482 1.00 1.41 N ATOM 1190 CA PHE A 77 17.889 9.527 -3.043 1.00 1.27 C ATOM 1191 C PHE A 77 16.595 10.303 -2.781 1.00 1.24 C ATOM 1192 O PHE A 77 15.914 10.077 -1.800 1.00 0.93 O ATOM 1193 CB PHE A 77 19.090 10.404 -2.685 1.00 1.58 C ATOM 1194 CG PHE A 77 19.743 9.879 -1.428 1.00 1.33 C ATOM 1195 CD1 PHE A 77 19.087 9.995 -0.196 1.00 1.03 C ATOM 1196 CD2 PHE A 77 21.005 9.276 -1.495 1.00 1.64 C ATOM 1197 CE1 PHE A 77 19.694 9.509 0.968 1.00 0.87 C ATOM 1198 CE2 PHE A 77 21.611 8.789 -0.330 1.00 1.69 C ATOM 1199 CZ PHE A 77 20.955 8.905 0.901 1.00 1.27 C ATOM 0 H PHE A 77 18.745 9.559 -4.998 1.00 1.41 H new ATOM 0 HA PHE A 77 17.897 8.625 -2.431 1.00 1.27 H new ATOM 0 HB2 PHE A 77 19.808 10.408 -3.505 1.00 1.58 H new ATOM 0 HB3 PHE A 77 18.769 11.435 -2.537 1.00 1.58 H new ATOM 0 HD1 PHE A 77 18.113 10.459 -0.144 1.00 1.03 H new ATOM 0 HD2 PHE A 77 21.511 9.186 -2.445 1.00 1.64 H new ATOM 0 HE1 PHE A 77 19.189 9.600 1.918 1.00 0.87 H new ATOM 0 HE2 PHE A 77 22.584 8.324 -0.381 1.00 1.69 H new ATOM 0 HZ PHE A 77 21.422 8.528 1.799 1.00 1.27 H new ATOM 1209 N HIS A 78 16.251 11.220 -3.645 1.00 1.59 N ATOM 1210 CA HIS A 78 15.003 12.009 -3.435 1.00 1.65 C ATOM 1211 C HIS A 78 13.786 11.163 -3.815 1.00 1.60 C ATOM 1212 O HIS A 78 12.708 11.340 -3.285 1.00 1.64 O ATOM 1213 CB HIS A 78 15.042 13.267 -4.305 1.00 1.87 C ATOM 1214 CG HIS A 78 13.694 13.934 -4.282 1.00 2.32 C ATOM 1215 ND1 HIS A 78 12.717 13.657 -5.226 1.00 2.92 N ATOM 1216 CD2 HIS A 78 13.146 14.867 -3.438 1.00 2.37 C ATOM 1217 CE1 HIS A 78 11.643 14.412 -4.931 1.00 3.21 C ATOM 1218 NE2 HIS A 78 11.851 15.168 -3.849 1.00 2.89 N ATOM 0 H HIS A 78 16.779 11.456 -4.485 1.00 1.59 H new ATOM 0 HA HIS A 78 14.930 12.294 -2.385 1.00 1.65 H new ATOM 0 HB2 HIS A 78 15.805 13.953 -3.938 1.00 1.87 H new ATOM 0 HB3 HIS A 78 15.313 13.006 -5.328 1.00 1.87 H new ATOM 0 HD2 HIS A 78 13.644 15.302 -2.584 1.00 2.37 H new ATOM 0 HE1 HIS A 78 10.725 14.408 -5.499 1.00 3.21 H new ATOM 0 HE2 HIS A 78 11.201 15.824 -3.417 1.00 2.89 H new ATOM 1226 N ARG A 79 13.946 10.247 -4.731 1.00 1.55 N ATOM 1227 CA ARG A 79 12.794 9.396 -5.143 1.00 1.56 C ATOM 1228 C ARG A 79 12.483 8.364 -4.052 1.00 1.39 C ATOM 1229 O ARG A 79 11.392 7.832 -3.988 1.00 1.51 O ATOM 1230 CB ARG A 79 13.137 8.670 -6.445 1.00 1.58 C ATOM 1231 CG ARG A 79 13.296 9.692 -7.574 1.00 1.04 C ATOM 1232 CD ARG A 79 12.391 9.315 -8.752 1.00 1.71 C ATOM 1233 NE ARG A 79 13.221 8.746 -9.865 1.00 2.29 N ATOM 1234 CZ ARG A 79 14.260 9.383 -10.353 1.00 2.11 C ATOM 1235 NH1 ARG A 79 14.500 10.634 -10.045 1.00 1.40 N ATOM 1236 NH2 ARG A 79 15.036 8.777 -11.210 1.00 3.29 N ATOM 0 H ARG A 79 14.824 10.051 -5.212 1.00 1.55 H new ATOM 0 HA ARG A 79 11.920 10.030 -5.293 1.00 1.56 H new ATOM 0 HB2 ARG A 79 14.058 8.100 -6.324 1.00 1.58 H new ATOM 0 HB3 ARG A 79 12.351 7.957 -6.694 1.00 1.58 H new ATOM 0 HG2 ARG A 79 13.041 10.688 -7.213 1.00 1.04 H new ATOM 0 HG3 ARG A 79 14.336 9.728 -7.900 1.00 1.04 H new ATOM 0 HD2 ARG A 79 11.646 8.587 -8.432 1.00 1.71 H new ATOM 0 HD3 ARG A 79 11.849 10.193 -9.102 1.00 1.71 H new ATOM 0 HE ARG A 79 12.970 7.837 -10.254 1.00 2.29 H new ATOM 0 HH11 ARG A 79 13.873 11.133 -9.414 1.00 1.40 H new ATOM 0 HH12 ARG A 79 15.314 11.109 -10.436 1.00 1.40 H new ATOM 0 HH21 ARG A 79 14.832 7.819 -11.494 1.00 3.29 H new ATOM 0 HH22 ARG A 79 15.846 9.262 -11.596 1.00 3.29 H new ATOM 1250 N HIS A 80 13.425 8.070 -3.196 1.00 1.14 N ATOM 1251 CA HIS A 80 13.165 7.069 -2.123 1.00 0.97 C ATOM 1252 C HIS A 80 12.582 7.769 -0.894 1.00 0.87 C ATOM 1253 O HIS A 80 11.608 7.326 -0.319 1.00 0.83 O ATOM 1254 CB HIS A 80 14.478 6.380 -1.742 1.00 0.89 C ATOM 1255 CG HIS A 80 14.233 5.428 -0.604 1.00 0.58 C ATOM 1256 ND1 HIS A 80 13.361 4.356 -0.712 1.00 0.84 N ATOM 1257 CD2 HIS A 80 14.739 5.372 0.670 1.00 0.69 C ATOM 1258 CE1 HIS A 80 13.370 3.706 0.467 1.00 0.51 C ATOM 1259 NE2 HIS A 80 14.194 4.284 1.345 1.00 0.73 N ATOM 0 H HIS A 80 14.360 8.478 -3.194 1.00 1.14 H new ATOM 0 HA HIS A 80 12.454 6.327 -2.486 1.00 0.97 H new ATOM 0 HB2 HIS A 80 14.881 5.842 -2.600 1.00 0.89 H new ATOM 0 HB3 HIS A 80 15.221 7.124 -1.454 1.00 0.89 H new ATOM 0 HD2 HIS A 80 15.453 6.067 1.086 1.00 0.69 H new ATOM 0 HE1 HIS A 80 12.782 2.825 0.677 1.00 0.51 H new ATOM 0 HE2 HIS A 80 14.383 3.991 2.304 1.00 0.73 H new ATOM 1267 N LYS A 81 13.172 8.859 -0.485 1.00 0.83 N ATOM 1268 CA LYS A 81 12.651 9.584 0.709 1.00 0.76 C ATOM 1269 C LYS A 81 11.191 9.984 0.479 1.00 0.66 C ATOM 1270 O LYS A 81 10.433 10.160 1.413 1.00 0.50 O ATOM 1271 CB LYS A 81 13.492 10.840 0.949 1.00 0.76 C ATOM 1272 CG LYS A 81 13.463 11.195 2.436 1.00 0.74 C ATOM 1273 CD LYS A 81 14.713 12.004 2.793 1.00 0.75 C ATOM 1274 CE LYS A 81 15.876 11.050 3.071 1.00 2.13 C ATOM 1275 NZ LYS A 81 15.593 10.270 4.310 1.00 3.23 N ATOM 0 H LYS A 81 13.991 9.278 -0.925 1.00 0.83 H new ATOM 0 HA LYS A 81 12.711 8.931 1.580 1.00 0.76 H new ATOM 0 HB2 LYS A 81 14.519 10.671 0.624 1.00 0.76 H new ATOM 0 HB3 LYS A 81 13.103 11.670 0.358 1.00 0.76 H new ATOM 0 HG2 LYS A 81 12.566 11.771 2.666 1.00 0.74 H new ATOM 0 HG3 LYS A 81 13.421 10.287 3.037 1.00 0.74 H new ATOM 0 HD2 LYS A 81 14.969 12.678 1.975 1.00 0.75 H new ATOM 0 HD3 LYS A 81 14.520 12.624 3.668 1.00 0.75 H new ATOM 0 HE2 LYS A 81 16.016 10.374 2.227 1.00 2.13 H new ATOM 0 HE3 LYS A 81 16.802 11.613 3.186 1.00 2.13 H new ATOM 0 HZ1 LYS A 81 16.486 10.059 4.799 1.00 3.23 H new ATOM 0 HZ2 LYS A 81 14.978 10.826 4.937 1.00 3.23 H new ATOM 0 HZ3 LYS A 81 15.117 9.380 4.059 1.00 3.23 H new ATOM 1289 N GLN A 82 10.788 10.136 -0.755 1.00 0.76 N ATOM 1290 CA GLN A 82 9.378 10.529 -1.037 1.00 0.69 C ATOM 1291 C GLN A 82 8.468 9.299 -0.959 1.00 0.71 C ATOM 1292 O GLN A 82 7.379 9.355 -0.425 1.00 0.67 O ATOM 1293 CB GLN A 82 9.292 11.137 -2.437 1.00 0.71 C ATOM 1294 CG GLN A 82 7.963 11.878 -2.593 1.00 1.95 C ATOM 1295 CD GLN A 82 7.828 12.382 -4.031 1.00 1.81 C ATOM 1296 OE1 GLN A 82 7.865 11.606 -4.966 1.00 2.75 O ATOM 1297 NE2 GLN A 82 7.670 13.658 -4.250 1.00 1.10 N ATOM 0 H GLN A 82 11.375 10.005 -1.579 1.00 0.76 H new ATOM 0 HA GLN A 82 9.054 11.261 -0.297 1.00 0.69 H new ATOM 0 HB2 GLN A 82 10.124 11.823 -2.598 1.00 0.71 H new ATOM 0 HB3 GLN A 82 9.374 10.354 -3.190 1.00 0.71 H new ATOM 0 HG2 GLN A 82 7.133 11.215 -2.349 1.00 1.95 H new ATOM 0 HG3 GLN A 82 7.917 12.715 -1.897 1.00 1.95 H new ATOM 0 HE21 GLN A 82 7.639 14.310 -3.466 1.00 1.10 H new ATOM 0 HE22 GLN A 82 7.578 14.004 -5.205 1.00 1.10 H new ATOM 1306 N LEU A 83 8.902 8.190 -1.494 1.00 0.83 N ATOM 1307 CA LEU A 83 8.054 6.963 -1.456 1.00 0.87 C ATOM 1308 C LEU A 83 7.744 6.604 0.001 1.00 0.79 C ATOM 1309 O LEU A 83 6.674 6.123 0.319 1.00 0.80 O ATOM 1310 CB LEU A 83 8.797 5.815 -2.177 1.00 1.02 C ATOM 1311 CG LEU A 83 9.117 4.641 -1.231 1.00 0.81 C ATOM 1312 CD1 LEU A 83 7.852 3.813 -0.979 1.00 2.35 C ATOM 1313 CD2 LEU A 83 10.168 3.746 -1.892 1.00 1.04 C ATOM 0 H LEU A 83 9.805 8.080 -1.955 1.00 0.83 H new ATOM 0 HA LEU A 83 7.108 7.136 -1.969 1.00 0.87 H new ATOM 0 HB2 LEU A 83 8.188 5.455 -3.006 1.00 1.02 H new ATOM 0 HB3 LEU A 83 9.724 6.197 -2.605 1.00 1.02 H new ATOM 0 HG LEU A 83 9.489 5.031 -0.284 1.00 0.81 H new ATOM 0 HD11 LEU A 83 8.086 2.985 -0.310 1.00 2.35 H new ATOM 0 HD12 LEU A 83 7.089 4.444 -0.523 1.00 2.35 H new ATOM 0 HD13 LEU A 83 7.480 3.420 -1.925 1.00 2.35 H new ATOM 0 HD21 LEU A 83 10.403 2.911 -1.231 1.00 1.04 H new ATOM 0 HD22 LEU A 83 9.779 3.364 -2.836 1.00 1.04 H new ATOM 0 HD23 LEU A 83 11.072 4.325 -2.080 1.00 1.04 H new ATOM 1325 N ILE A 84 8.675 6.830 0.886 1.00 0.73 N ATOM 1326 CA ILE A 84 8.438 6.497 2.318 1.00 0.65 C ATOM 1327 C ILE A 84 7.336 7.399 2.876 1.00 0.62 C ATOM 1328 O ILE A 84 6.544 6.988 3.699 1.00 0.55 O ATOM 1329 CB ILE A 84 9.727 6.705 3.112 1.00 0.63 C ATOM 1330 CG1 ILE A 84 10.846 5.856 2.500 1.00 0.71 C ATOM 1331 CG2 ILE A 84 9.508 6.277 4.562 1.00 0.55 C ATOM 1332 CD1 ILE A 84 10.594 4.381 2.815 1.00 0.79 C ATOM 0 H ILE A 84 9.590 7.231 0.679 1.00 0.73 H new ATOM 0 HA ILE A 84 8.128 5.455 2.403 1.00 0.65 H new ATOM 0 HB ILE A 84 10.005 7.758 3.079 1.00 0.63 H new ATOM 0 HG12 ILE A 84 10.884 6.008 1.421 1.00 0.71 H new ATOM 0 HG13 ILE A 84 11.812 6.165 2.900 1.00 0.71 H new ATOM 0 HG21 ILE A 84 10.428 6.425 5.128 1.00 0.55 H new ATOM 0 HG22 ILE A 84 8.711 6.876 5.002 1.00 0.55 H new ATOM 0 HG23 ILE A 84 9.229 5.224 4.592 1.00 0.55 H new ATOM 0 HD11 ILE A 84 11.389 3.775 2.380 1.00 0.79 H new ATOM 0 HD12 ILE A 84 10.578 4.237 3.895 1.00 0.79 H new ATOM 0 HD13 ILE A 84 9.635 4.078 2.394 1.00 0.79 H new ATOM 1344 N ARG A 85 7.276 8.626 2.433 1.00 0.70 N ATOM 1345 CA ARG A 85 6.219 9.548 2.937 1.00 0.67 C ATOM 1346 C ARG A 85 4.851 9.041 2.480 1.00 0.72 C ATOM 1347 O ARG A 85 3.910 8.975 3.248 1.00 0.70 O ATOM 1348 CB ARG A 85 6.453 10.950 2.374 1.00 0.75 C ATOM 1349 CG ARG A 85 7.731 11.535 2.978 1.00 0.99 C ATOM 1350 CD ARG A 85 7.728 13.055 2.802 1.00 0.53 C ATOM 1351 NE ARG A 85 8.356 13.696 3.993 1.00 0.67 N ATOM 1352 CZ ARG A 85 8.750 14.949 3.958 1.00 0.56 C ATOM 1353 NH1 ARG A 85 8.608 15.679 2.877 1.00 0.68 N ATOM 1354 NH2 ARG A 85 9.296 15.480 5.019 1.00 1.36 N ATOM 0 H ARG A 85 7.912 9.029 1.745 1.00 0.70 H new ATOM 0 HA ARG A 85 6.254 9.584 4.026 1.00 0.67 H new ATOM 0 HB2 ARG A 85 6.537 10.908 1.288 1.00 0.75 H new ATOM 0 HB3 ARG A 85 5.603 11.592 2.603 1.00 0.75 H new ATOM 0 HG2 ARG A 85 7.796 11.281 4.036 1.00 0.99 H new ATOM 0 HG3 ARG A 85 8.606 11.104 2.492 1.00 0.99 H new ATOM 0 HD2 ARG A 85 8.274 13.328 1.899 1.00 0.53 H new ATOM 0 HD3 ARG A 85 6.707 13.415 2.678 1.00 0.53 H new ATOM 0 HE ARG A 85 8.482 13.154 4.848 1.00 0.67 H new ATOM 0 HH11 ARG A 85 8.184 15.276 2.041 1.00 0.68 H new ATOM 0 HH12 ARG A 85 8.921 16.650 2.872 1.00 0.68 H new ATOM 0 HH21 ARG A 85 9.413 14.923 5.865 1.00 1.36 H new ATOM 0 HH22 ARG A 85 9.605 16.452 5.001 1.00 1.36 H new ATOM 1368 N PHE A 86 4.735 8.683 1.233 1.00 0.80 N ATOM 1369 CA PHE A 86 3.433 8.178 0.720 1.00 0.87 C ATOM 1370 C PHE A 86 2.970 7.003 1.583 1.00 0.81 C ATOM 1371 O PHE A 86 1.800 6.858 1.871 1.00 0.83 O ATOM 1372 CB PHE A 86 3.602 7.705 -0.728 1.00 1.03 C ATOM 1373 CG PHE A 86 3.515 8.882 -1.672 1.00 0.48 C ATOM 1374 CD1 PHE A 86 2.454 9.792 -1.570 1.00 0.71 C ATOM 1375 CD2 PHE A 86 4.492 9.059 -2.660 1.00 1.48 C ATOM 1376 CE1 PHE A 86 2.372 10.875 -2.452 1.00 1.09 C ATOM 1377 CE2 PHE A 86 4.408 10.141 -3.543 1.00 1.66 C ATOM 1378 CZ PHE A 86 3.348 11.050 -3.439 1.00 1.22 C ATOM 0 H PHE A 86 5.488 8.718 0.545 1.00 0.80 H new ATOM 0 HA PHE A 86 2.693 8.977 0.759 1.00 0.87 H new ATOM 0 HB2 PHE A 86 4.563 7.205 -0.846 1.00 1.03 H new ATOM 0 HB3 PHE A 86 2.831 6.975 -0.973 1.00 1.03 H new ATOM 0 HD1 PHE A 86 1.699 9.657 -0.810 1.00 0.71 H new ATOM 0 HD2 PHE A 86 5.311 8.360 -2.740 1.00 1.48 H new ATOM 0 HE1 PHE A 86 1.555 11.576 -2.371 1.00 1.09 H new ATOM 0 HE2 PHE A 86 5.161 10.275 -4.305 1.00 1.66 H new ATOM 0 HZ PHE A 86 3.284 11.886 -4.120 1.00 1.22 H new ATOM 1388 N LEU A 87 3.879 6.163 1.994 1.00 0.77 N ATOM 1389 CA LEU A 87 3.488 4.995 2.834 1.00 0.77 C ATOM 1390 C LEU A 87 2.939 5.485 4.177 1.00 0.67 C ATOM 1391 O LEU A 87 1.913 5.031 4.642 1.00 0.70 O ATOM 1392 CB LEU A 87 4.717 4.113 3.081 1.00 0.79 C ATOM 1393 CG LEU A 87 4.594 2.813 2.282 1.00 0.74 C ATOM 1394 CD1 LEU A 87 5.644 2.796 1.170 1.00 1.43 C ATOM 1395 CD2 LEU A 87 4.824 1.623 3.216 1.00 1.43 C ATOM 0 H LEU A 87 4.875 6.234 1.785 1.00 0.77 H new ATOM 0 HA LEU A 87 2.720 4.420 2.317 1.00 0.77 H new ATOM 0 HB2 LEU A 87 5.622 4.645 2.789 1.00 0.79 H new ATOM 0 HB3 LEU A 87 4.808 3.890 4.144 1.00 0.79 H new ATOM 0 HG LEU A 87 3.599 2.747 1.842 1.00 0.74 H new ATOM 0 HD11 LEU A 87 5.556 1.870 0.601 1.00 1.43 H new ATOM 0 HD12 LEU A 87 5.485 3.646 0.507 1.00 1.43 H new ATOM 0 HD13 LEU A 87 6.640 2.859 1.609 1.00 1.43 H new ATOM 0 HD21 LEU A 87 4.737 0.695 2.651 1.00 1.43 H new ATOM 0 HD22 LEU A 87 5.821 1.690 3.652 1.00 1.43 H new ATOM 0 HD23 LEU A 87 4.078 1.635 4.011 1.00 1.43 H new ATOM 1407 N LYS A 88 3.618 6.405 4.805 1.00 0.57 N ATOM 1408 CA LYS A 88 3.138 6.920 6.120 1.00 0.49 C ATOM 1409 C LYS A 88 1.701 7.422 5.983 1.00 0.47 C ATOM 1410 O LYS A 88 0.917 7.348 6.909 1.00 0.51 O ATOM 1411 CB LYS A 88 4.040 8.070 6.573 1.00 0.38 C ATOM 1412 CG LYS A 88 5.449 7.540 6.843 1.00 0.14 C ATOM 1413 CD LYS A 88 6.129 8.416 7.898 1.00 0.20 C ATOM 1414 CE LYS A 88 7.306 7.659 8.515 1.00 1.30 C ATOM 1415 NZ LYS A 88 8.239 8.631 9.150 1.00 1.66 N ATOM 0 H LYS A 88 4.484 6.823 4.465 1.00 0.57 H new ATOM 0 HA LYS A 88 3.170 6.118 6.857 1.00 0.49 H new ATOM 0 HB2 LYS A 88 4.072 8.844 5.806 1.00 0.38 H new ATOM 0 HB3 LYS A 88 3.635 8.530 7.474 1.00 0.38 H new ATOM 0 HG2 LYS A 88 5.401 6.507 7.188 1.00 0.14 H new ATOM 0 HG3 LYS A 88 6.032 7.541 5.922 1.00 0.14 H new ATOM 0 HD2 LYS A 88 6.478 9.344 7.444 1.00 0.20 H new ATOM 0 HD3 LYS A 88 5.414 8.690 8.673 1.00 0.20 H new ATOM 0 HE2 LYS A 88 6.946 6.946 9.256 1.00 1.30 H new ATOM 0 HE3 LYS A 88 7.827 7.086 7.748 1.00 1.30 H new ATOM 0 HZ1 LYS A 88 9.041 8.119 9.571 1.00 1.66 H new ATOM 0 HZ2 LYS A 88 8.591 9.295 8.431 1.00 1.66 H new ATOM 0 HZ3 LYS A 88 7.738 9.159 9.893 1.00 1.66 H new ATOM 1429 N ARG A 89 1.346 7.933 4.838 1.00 0.58 N ATOM 1430 CA ARG A 89 -0.042 8.440 4.649 1.00 0.61 C ATOM 1431 C ARG A 89 -1.013 7.260 4.568 1.00 0.70 C ATOM 1432 O ARG A 89 -2.022 7.228 5.241 1.00 0.68 O ATOM 1433 CB ARG A 89 -0.115 9.257 3.356 1.00 0.77 C ATOM 1434 CG ARG A 89 0.539 10.623 3.579 1.00 0.91 C ATOM 1435 CD ARG A 89 0.353 11.491 2.332 1.00 1.03 C ATOM 1436 NE ARG A 89 1.688 11.876 1.788 1.00 2.55 N ATOM 1437 CZ ARG A 89 1.808 12.375 0.579 1.00 3.01 C ATOM 1438 NH1 ARG A 89 0.759 12.557 -0.189 1.00 2.64 N ATOM 1439 NH2 ARG A 89 2.992 12.698 0.134 1.00 4.34 N ATOM 0 H ARG A 89 1.956 8.022 4.025 1.00 0.58 H new ATOM 0 HA ARG A 89 -0.315 9.073 5.493 1.00 0.61 H new ATOM 0 HB2 ARG A 89 0.391 8.727 2.549 1.00 0.77 H new ATOM 0 HB3 ARG A 89 -1.154 9.384 3.052 1.00 0.77 H new ATOM 0 HG2 ARG A 89 0.095 11.113 4.445 1.00 0.91 H new ATOM 0 HG3 ARG A 89 1.601 10.499 3.793 1.00 0.91 H new ATOM 0 HD2 ARG A 89 -0.215 10.946 1.578 1.00 1.03 H new ATOM 0 HD3 ARG A 89 -0.221 12.384 2.580 1.00 1.03 H new ATOM 0 HE ARG A 89 2.520 11.750 2.364 1.00 2.55 H new ATOM 0 HH11 ARG A 89 -0.171 12.310 0.150 1.00 2.64 H new ATOM 0 HH12 ARG A 89 0.873 12.946 -1.125 1.00 2.64 H new ATOM 0 HH21 ARG A 89 3.813 12.562 0.724 1.00 4.34 H new ATOM 0 HH22 ARG A 89 3.096 13.086 -0.803 1.00 4.34 H new ATOM 1453 N LEU A 90 -0.716 6.292 3.746 1.00 0.84 N ATOM 1454 CA LEU A 90 -1.621 5.113 3.612 1.00 0.99 C ATOM 1455 C LEU A 90 -1.624 4.280 4.901 1.00 0.97 C ATOM 1456 O LEU A 90 -2.443 3.401 5.070 1.00 1.08 O ATOM 1457 CB LEU A 90 -1.146 4.231 2.455 1.00 1.19 C ATOM 1458 CG LEU A 90 -0.900 5.090 1.212 1.00 0.96 C ATOM 1459 CD1 LEU A 90 -0.982 4.209 -0.035 1.00 1.49 C ATOM 1460 CD2 LEU A 90 -1.961 6.190 1.124 1.00 2.67 C ATOM 0 H LEU A 90 0.117 6.266 3.159 1.00 0.84 H new ATOM 0 HA LEU A 90 -2.631 5.476 3.420 1.00 0.99 H new ATOM 0 HB2 LEU A 90 -0.230 3.711 2.735 1.00 1.19 H new ATOM 0 HB3 LEU A 90 -1.893 3.467 2.238 1.00 1.19 H new ATOM 0 HG LEU A 90 0.088 5.546 1.278 1.00 0.96 H new ATOM 0 HD11 LEU A 90 -0.807 4.817 -0.922 1.00 1.49 H new ATOM 0 HD12 LEU A 90 -0.226 3.426 0.023 1.00 1.49 H new ATOM 0 HD13 LEU A 90 -1.971 3.755 -0.095 1.00 1.49 H new ATOM 0 HD21 LEU A 90 -1.781 6.799 0.238 1.00 2.67 H new ATOM 0 HD22 LEU A 90 -2.950 5.737 1.059 1.00 2.67 H new ATOM 0 HD23 LEU A 90 -1.908 6.819 2.013 1.00 2.67 H new ATOM 1472 N ASP A 91 -0.725 4.534 5.812 1.00 0.87 N ATOM 1473 CA ASP A 91 -0.715 3.733 7.064 1.00 0.95 C ATOM 1474 C ASP A 91 -2.050 3.916 7.785 1.00 0.87 C ATOM 1475 O ASP A 91 -2.826 2.992 7.923 1.00 0.77 O ATOM 1476 CB ASP A 91 0.423 4.208 7.968 1.00 1.09 C ATOM 1477 CG ASP A 91 0.186 3.707 9.394 1.00 1.99 C ATOM 1478 OD1 ASP A 91 -0.289 2.591 9.538 1.00 2.37 O ATOM 1479 OD2 ASP A 91 0.482 4.446 10.318 1.00 2.74 O ATOM 0 H ASP A 91 -0.005 5.254 5.744 1.00 0.87 H new ATOM 0 HA ASP A 91 -0.567 2.680 6.824 1.00 0.95 H new ATOM 0 HB2 ASP A 91 1.377 3.836 7.595 1.00 1.09 H new ATOM 0 HB3 ASP A 91 0.479 5.297 7.958 1.00 1.09 H new ATOM 1484 N ARG A 92 -2.320 5.103 8.248 1.00 0.93 N ATOM 1485 CA ARG A 92 -3.604 5.350 8.967 1.00 0.89 C ATOM 1486 C ARG A 92 -4.701 5.816 7.996 1.00 0.68 C ATOM 1487 O ARG A 92 -5.843 5.939 8.372 1.00 0.71 O ATOM 1488 CB ARG A 92 -3.390 6.419 10.039 1.00 1.11 C ATOM 1489 CG ARG A 92 -2.595 5.824 11.204 1.00 1.03 C ATOM 1490 CD ARG A 92 -3.490 4.883 12.014 1.00 1.52 C ATOM 1491 NE ARG A 92 -3.218 5.075 13.468 1.00 2.02 N ATOM 1492 CZ ARG A 92 -4.030 4.590 14.380 1.00 2.66 C ATOM 1493 NH1 ARG A 92 -5.105 3.919 14.047 1.00 3.09 N ATOM 1494 NH2 ARG A 92 -3.760 4.781 15.642 1.00 3.12 N ATOM 0 H ARG A 92 -1.708 5.915 8.161 1.00 0.93 H new ATOM 0 HA ARG A 92 -3.924 4.415 9.428 1.00 0.89 H new ATOM 0 HB2 ARG A 92 -2.855 7.270 9.617 1.00 1.11 H new ATOM 0 HB3 ARG A 92 -4.351 6.791 10.394 1.00 1.11 H new ATOM 0 HG2 ARG A 92 -1.729 5.281 10.826 1.00 1.03 H new ATOM 0 HG3 ARG A 92 -2.217 6.622 11.844 1.00 1.03 H new ATOM 0 HD2 ARG A 92 -4.539 5.085 11.799 1.00 1.52 H new ATOM 0 HD3 ARG A 92 -3.300 3.848 11.730 1.00 1.52 H new ATOM 0 HE ARG A 92 -2.388 5.591 13.759 1.00 2.02 H new ATOM 0 HH11 ARG A 92 -5.325 3.764 13.063 1.00 3.09 H new ATOM 0 HH12 ARG A 92 -5.722 3.551 14.772 1.00 3.09 H new ATOM 0 HH21 ARG A 92 -2.926 5.302 15.912 1.00 3.12 H new ATOM 0 HH22 ARG A 92 -4.383 4.409 16.359 1.00 3.12 H new ATOM 1508 N ASN A 93 -4.380 6.091 6.760 1.00 0.56 N ATOM 1509 CA ASN A 93 -5.444 6.556 5.819 1.00 0.39 C ATOM 1510 C ASN A 93 -6.151 5.354 5.194 1.00 0.43 C ATOM 1511 O ASN A 93 -7.359 5.335 5.059 1.00 0.49 O ATOM 1512 CB ASN A 93 -4.817 7.408 4.712 1.00 0.37 C ATOM 1513 CG ASN A 93 -4.316 8.726 5.304 1.00 0.91 C ATOM 1514 OD1 ASN A 93 -4.228 8.868 6.509 1.00 1.82 O ATOM 1515 ND2 ASN A 93 -3.984 9.703 4.507 1.00 1.21 N ATOM 0 H ASN A 93 -3.443 6.016 6.364 1.00 0.56 H new ATOM 0 HA ASN A 93 -6.170 7.152 6.372 1.00 0.39 H new ATOM 0 HB2 ASN A 93 -3.992 6.869 4.247 1.00 0.37 H new ATOM 0 HB3 ASN A 93 -5.550 7.604 3.930 1.00 0.37 H new ATOM 0 HD21 ASN A 93 -3.651 10.586 4.894 1.00 1.21 H new ATOM 0 HD22 ASN A 93 -4.058 9.584 3.497 1.00 1.21 H new ATOM 1522 N LEU A 94 -5.414 4.356 4.800 1.00 0.42 N ATOM 1523 CA LEU A 94 -6.049 3.166 4.168 1.00 0.50 C ATOM 1524 C LEU A 94 -6.755 2.315 5.229 1.00 0.41 C ATOM 1525 O LEU A 94 -7.888 1.910 5.055 1.00 0.40 O ATOM 1526 CB LEU A 94 -4.972 2.325 3.474 1.00 0.55 C ATOM 1527 CG LEU A 94 -5.281 2.220 1.980 1.00 1.15 C ATOM 1528 CD1 LEU A 94 -4.427 3.229 1.211 1.00 1.60 C ATOM 1529 CD2 LEU A 94 -4.956 0.807 1.488 1.00 1.23 C ATOM 0 H LEU A 94 -4.399 4.312 4.888 1.00 0.42 H new ATOM 0 HA LEU A 94 -6.785 3.502 3.437 1.00 0.50 H new ATOM 0 HB2 LEU A 94 -3.992 2.779 3.621 1.00 0.55 H new ATOM 0 HB3 LEU A 94 -4.932 1.330 3.918 1.00 0.55 H new ATOM 0 HG LEU A 94 -6.337 2.431 1.814 1.00 1.15 H new ATOM 0 HD11 LEU A 94 -4.647 3.155 0.146 1.00 1.60 H new ATOM 0 HD12 LEU A 94 -4.653 4.237 1.559 1.00 1.60 H new ATOM 0 HD13 LEU A 94 -3.371 3.015 1.379 1.00 1.60 H new ATOM 0 HD21 LEU A 94 -5.176 0.733 0.423 1.00 1.23 H new ATOM 0 HD22 LEU A 94 -3.899 0.598 1.655 1.00 1.23 H new ATOM 0 HD23 LEU A 94 -5.560 0.083 2.035 1.00 1.23 H new ATOM 1541 N TRP A 95 -6.097 2.021 6.315 1.00 0.38 N ATOM 1542 CA TRP A 95 -6.738 1.175 7.362 1.00 0.31 C ATOM 1543 C TRP A 95 -7.488 2.040 8.384 1.00 0.35 C ATOM 1544 O TRP A 95 -8.348 1.555 9.093 1.00 0.38 O ATOM 1545 CB TRP A 95 -5.665 0.352 8.068 1.00 0.24 C ATOM 1546 CG TRP A 95 -6.144 -0.036 9.427 1.00 1.14 C ATOM 1547 CD1 TRP A 95 -7.186 -0.857 9.692 1.00 2.99 C ATOM 1548 CD2 TRP A 95 -5.612 0.374 10.710 1.00 0.31 C ATOM 1549 NE1 TRP A 95 -7.320 -0.976 11.065 1.00 3.32 N ATOM 1550 CE2 TRP A 95 -6.371 -0.230 11.735 1.00 1.69 C ATOM 1551 CE3 TRP A 95 -4.551 1.208 11.071 1.00 1.60 C ATOM 1552 CZ2 TRP A 95 -6.080 -0.010 13.083 1.00 1.28 C ATOM 1553 CZ3 TRP A 95 -4.251 1.436 12.423 1.00 2.03 C ATOM 1554 CH2 TRP A 95 -5.016 0.827 13.429 1.00 0.66 C ATOM 0 H TRP A 95 -5.147 2.328 6.523 1.00 0.38 H new ATOM 0 HA TRP A 95 -7.460 0.513 6.884 1.00 0.31 H new ATOM 0 HB2 TRP A 95 -5.434 -0.539 7.485 1.00 0.24 H new ATOM 0 HB3 TRP A 95 -4.744 0.929 8.147 1.00 0.24 H new ATOM 0 HD1 TRP A 95 -7.810 -1.340 8.955 1.00 2.99 H new ATOM 0 HE1 TRP A 95 -8.032 -1.544 11.524 1.00 3.32 H new ATOM 0 HE3 TRP A 95 -3.957 1.681 10.303 1.00 1.60 H new ATOM 0 HZ2 TRP A 95 -6.673 -0.483 13.852 1.00 1.28 H new ATOM 0 HZ3 TRP A 95 -3.428 2.083 12.690 1.00 2.03 H new ATOM 0 HH2 TRP A 95 -4.783 1.005 14.468 1.00 0.66 H new ATOM 1565 N GLY A 96 -7.188 3.309 8.475 1.00 0.41 N ATOM 1566 CA GLY A 96 -7.924 4.160 9.459 1.00 0.53 C ATOM 1567 C GLY A 96 -9.414 4.076 9.143 1.00 0.50 C ATOM 1568 O GLY A 96 -10.238 3.890 10.017 1.00 0.59 O ATOM 0 H GLY A 96 -6.478 3.788 7.921 1.00 0.41 H new ATOM 0 HA2 GLY A 96 -7.731 3.818 10.476 1.00 0.53 H new ATOM 0 HA3 GLY A 96 -7.581 5.193 9.400 1.00 0.53 H new ATOM 1572 N LEU A 97 -9.759 4.192 7.887 1.00 0.57 N ATOM 1573 CA LEU A 97 -11.189 4.094 7.489 1.00 0.59 C ATOM 1574 C LEU A 97 -11.745 2.779 8.034 1.00 0.78 C ATOM 1575 O LEU A 97 -12.884 2.688 8.450 1.00 0.91 O ATOM 1576 CB LEU A 97 -11.280 4.090 5.961 1.00 0.40 C ATOM 1577 CG LEU A 97 -12.686 4.498 5.523 1.00 0.84 C ATOM 1578 CD1 LEU A 97 -12.607 5.789 4.707 1.00 0.86 C ATOM 1579 CD2 LEU A 97 -13.287 3.385 4.660 1.00 1.33 C ATOM 0 H LEU A 97 -9.107 4.351 7.119 1.00 0.57 H new ATOM 0 HA LEU A 97 -11.757 4.936 7.884 1.00 0.59 H new ATOM 0 HB2 LEU A 97 -10.545 4.778 5.542 1.00 0.40 H new ATOM 0 HB3 LEU A 97 -11.043 3.098 5.576 1.00 0.40 H new ATOM 0 HG LEU A 97 -13.313 4.660 6.400 1.00 0.84 H new ATOM 0 HD11 LEU A 97 -13.609 6.083 4.393 1.00 0.86 H new ATOM 0 HD12 LEU A 97 -12.172 6.580 5.318 1.00 0.86 H new ATOM 0 HD13 LEU A 97 -11.984 5.626 3.827 1.00 0.86 H new ATOM 0 HD21 LEU A 97 -14.290 3.671 4.345 1.00 1.33 H new ATOM 0 HD22 LEU A 97 -12.661 3.228 3.781 1.00 1.33 H new ATOM 0 HD23 LEU A 97 -13.338 2.463 5.239 1.00 1.33 H new ATOM 1591 N ALA A 98 -10.929 1.764 8.036 1.00 0.80 N ATOM 1592 CA ALA A 98 -11.359 0.439 8.553 1.00 0.98 C ATOM 1593 C ALA A 98 -11.826 0.578 10.002 1.00 1.08 C ATOM 1594 O ALA A 98 -12.961 0.296 10.333 1.00 1.25 O ATOM 1595 CB ALA A 98 -10.169 -0.523 8.495 1.00 0.99 C ATOM 0 H ALA A 98 -9.968 1.798 7.696 1.00 0.80 H new ATOM 0 HA ALA A 98 -12.180 0.057 7.947 1.00 0.98 H new ATOM 0 HB1 ALA A 98 -10.472 -1.500 8.872 1.00 0.99 H new ATOM 0 HB2 ALA A 98 -9.831 -0.621 7.464 1.00 0.99 H new ATOM 0 HB3 ALA A 98 -9.356 -0.134 9.108 1.00 0.99 H new ATOM 1601 N GLY A 99 -10.954 1.008 10.868 1.00 1.00 N ATOM 1602 CA GLY A 99 -11.334 1.164 12.303 1.00 1.14 C ATOM 1603 C GLY A 99 -11.223 -0.186 13.018 1.00 1.20 C ATOM 1604 O GLY A 99 -11.910 -0.446 13.987 1.00 1.75 O ATOM 0 H GLY A 99 -9.991 1.260 10.646 1.00 1.00 H new ATOM 0 HA2 GLY A 99 -10.684 1.895 12.784 1.00 1.14 H new ATOM 0 HA3 GLY A 99 -12.353 1.544 12.380 1.00 1.14 H new ATOM 1608 N LEU A 100 -10.362 -1.049 12.549 1.00 0.81 N ATOM 1609 CA LEU A 100 -10.204 -2.381 13.202 1.00 1.00 C ATOM 1610 C LEU A 100 -9.216 -2.262 14.366 1.00 1.26 C ATOM 1611 O LEU A 100 -8.860 -1.176 14.780 1.00 2.03 O ATOM 1612 CB LEU A 100 -9.670 -3.389 12.180 1.00 0.70 C ATOM 1613 CG LEU A 100 -10.738 -4.444 11.892 1.00 0.99 C ATOM 1614 CD1 LEU A 100 -10.982 -5.284 13.148 1.00 1.91 C ATOM 1615 CD2 LEU A 100 -12.039 -3.751 11.482 1.00 2.41 C ATOM 0 H LEU A 100 -9.761 -0.889 11.741 1.00 0.81 H new ATOM 0 HA LEU A 100 -11.169 -2.721 13.577 1.00 1.00 H new ATOM 0 HB2 LEU A 100 -9.394 -2.876 11.259 1.00 0.70 H new ATOM 0 HB3 LEU A 100 -8.767 -3.866 12.562 1.00 0.70 H new ATOM 0 HG LEU A 100 -10.399 -5.092 11.084 1.00 0.99 H new ATOM 0 HD11 LEU A 100 -11.744 -6.036 12.941 1.00 1.91 H new ATOM 0 HD12 LEU A 100 -10.055 -5.778 13.441 1.00 1.91 H new ATOM 0 HD13 LEU A 100 -11.321 -4.638 13.958 1.00 1.91 H new ATOM 0 HD21 LEU A 100 -12.802 -4.502 11.276 1.00 2.41 H new ATOM 0 HD22 LEU A 100 -12.377 -3.103 12.291 1.00 2.41 H new ATOM 0 HD23 LEU A 100 -11.867 -3.154 10.587 1.00 2.41 H new ATOM 1627 N ASN A 101 -8.770 -3.368 14.898 1.00 0.84 N ATOM 1628 CA ASN A 101 -7.804 -3.309 16.034 1.00 1.03 C ATOM 1629 C ASN A 101 -6.502 -4.016 15.639 1.00 0.89 C ATOM 1630 O ASN A 101 -5.550 -3.388 15.221 1.00 1.45 O ATOM 1631 CB ASN A 101 -8.414 -3.991 17.262 1.00 1.29 C ATOM 1632 CG ASN A 101 -9.464 -3.073 17.890 1.00 2.18 C ATOM 1633 OD1 ASN A 101 -9.129 -2.108 18.550 1.00 2.51 O ATOM 1634 ND2 ASN A 101 -10.730 -3.333 17.713 1.00 3.48 N ATOM 0 H ASN A 101 -9.031 -4.307 14.597 1.00 0.84 H new ATOM 0 HA ASN A 101 -7.588 -2.268 16.273 1.00 1.03 H new ATOM 0 HB2 ASN A 101 -8.870 -4.939 16.975 1.00 1.29 H new ATOM 0 HB3 ASN A 101 -7.634 -4.219 17.989 1.00 1.29 H new ATOM 0 HD21 ASN A 101 -11.438 -2.727 18.128 1.00 3.48 H new ATOM 0 HD22 ASN A 101 -11.012 -4.142 17.160 1.00 3.48 H new ATOM 1641 N SER A 102 -6.450 -5.316 15.765 1.00 0.74 N ATOM 1642 CA SER A 102 -5.208 -6.048 15.392 1.00 0.78 C ATOM 1643 C SER A 102 -5.286 -6.459 13.921 1.00 0.68 C ATOM 1644 O SER A 102 -6.242 -6.157 13.234 1.00 0.81 O ATOM 1645 CB SER A 102 -5.068 -7.295 16.265 1.00 1.09 C ATOM 1646 OG SER A 102 -5.928 -7.178 17.393 1.00 1.46 O ATOM 0 H SER A 102 -7.212 -5.900 16.109 1.00 0.74 H new ATOM 0 HA SER A 102 -4.343 -5.402 15.545 1.00 0.78 H new ATOM 0 HB2 SER A 102 -5.322 -8.186 15.690 1.00 1.09 H new ATOM 0 HB3 SER A 102 -4.034 -7.410 16.592 1.00 1.09 H new ATOM 0 HG SER A 102 -5.842 -7.977 17.954 1.00 1.46 H new ATOM 1652 N CYS A 103 -4.292 -7.148 13.431 1.00 0.84 N ATOM 1653 CA CYS A 103 -4.317 -7.580 12.008 1.00 0.79 C ATOM 1654 C CYS A 103 -3.287 -8.698 11.810 1.00 0.73 C ATOM 1655 O CYS A 103 -2.286 -8.519 11.146 1.00 0.77 O ATOM 1656 CB CYS A 103 -3.985 -6.379 11.112 1.00 1.21 C ATOM 1657 SG CYS A 103 -5.248 -6.217 9.826 1.00 0.73 S ATOM 0 H CYS A 103 -3.464 -7.430 13.956 1.00 0.84 H new ATOM 0 HA CYS A 103 -5.305 -7.955 11.742 1.00 0.79 H new ATOM 0 HB2 CYS A 103 -3.940 -5.468 11.709 1.00 1.21 H new ATOM 0 HB3 CYS A 103 -3.003 -6.511 10.658 1.00 1.21 H new ATOM 1662 N PRO A 104 -3.570 -9.823 12.413 1.00 0.66 N ATOM 1663 CA PRO A 104 -2.692 -11.004 12.341 1.00 0.68 C ATOM 1664 C PRO A 104 -2.518 -11.465 10.892 1.00 0.61 C ATOM 1665 O PRO A 104 -3.242 -12.313 10.410 1.00 0.63 O ATOM 1666 CB PRO A 104 -3.412 -12.081 13.166 1.00 0.72 C ATOM 1667 CG PRO A 104 -4.732 -11.463 13.696 1.00 0.68 C ATOM 1668 CD PRO A 104 -4.794 -10.007 13.212 1.00 0.65 C ATOM 0 HA PRO A 104 -1.692 -10.793 12.720 1.00 0.68 H new ATOM 0 HB2 PRO A 104 -3.619 -12.958 12.553 1.00 0.72 H new ATOM 0 HB3 PRO A 104 -2.785 -12.412 13.994 1.00 0.72 H new ATOM 0 HG2 PRO A 104 -5.591 -12.025 13.330 1.00 0.68 H new ATOM 0 HG3 PRO A 104 -4.764 -11.506 14.785 1.00 0.68 H new ATOM 0 HD2 PRO A 104 -5.687 -9.827 12.614 1.00 0.65 H new ATOM 0 HD3 PRO A 104 -4.827 -9.312 14.051 1.00 0.65 H new ATOM 1676 N VAL A 105 -1.560 -10.920 10.196 1.00 0.58 N ATOM 1677 CA VAL A 105 -1.337 -11.337 8.782 1.00 0.54 C ATOM 1678 C VAL A 105 -0.588 -12.673 8.766 1.00 0.60 C ATOM 1679 O VAL A 105 0.626 -12.714 8.723 1.00 0.50 O ATOM 1680 CB VAL A 105 -0.507 -10.274 8.058 1.00 0.45 C ATOM 1681 CG1 VAL A 105 -0.375 -10.644 6.579 1.00 1.38 C ATOM 1682 CG2 VAL A 105 -1.204 -8.917 8.180 1.00 1.33 C ATOM 0 H VAL A 105 -0.922 -10.204 10.544 1.00 0.58 H new ATOM 0 HA VAL A 105 -2.296 -11.448 8.276 1.00 0.54 H new ATOM 0 HB VAL A 105 0.484 -10.220 8.508 1.00 0.45 H new ATOM 0 HG11 VAL A 105 0.216 -9.886 6.066 1.00 1.38 H new ATOM 0 HG12 VAL A 105 0.119 -11.612 6.489 1.00 1.38 H new ATOM 0 HG13 VAL A 105 -1.366 -10.699 6.128 1.00 1.38 H new ATOM 0 HG21 VAL A 105 -0.615 -8.158 7.665 1.00 1.33 H new ATOM 0 HG22 VAL A 105 -2.195 -8.975 7.729 1.00 1.33 H new ATOM 0 HG23 VAL A 105 -1.299 -8.650 9.233 1.00 1.33 H new ATOM 1692 N LYS A 106 -1.302 -13.767 8.807 1.00 0.90 N ATOM 1693 CA LYS A 106 -0.627 -15.098 8.802 1.00 0.97 C ATOM 1694 C LYS A 106 -0.679 -15.693 7.394 1.00 0.52 C ATOM 1695 O LYS A 106 0.336 -15.888 6.756 1.00 0.92 O ATOM 1696 CB LYS A 106 -1.340 -16.036 9.781 1.00 1.28 C ATOM 1697 CG LYS A 106 -0.298 -16.832 10.571 1.00 1.73 C ATOM 1698 CD LYS A 106 -0.997 -17.642 11.665 1.00 2.42 C ATOM 1699 CE LYS A 106 0.025 -18.053 12.726 1.00 2.62 C ATOM 1700 NZ LYS A 106 0.630 -19.363 12.352 1.00 2.97 N ATOM 0 H LYS A 106 -2.321 -13.797 8.844 1.00 0.90 H new ATOM 0 HA LYS A 106 0.413 -14.978 9.106 1.00 0.97 H new ATOM 0 HB2 LYS A 106 -1.967 -15.461 10.462 1.00 1.28 H new ATOM 0 HB3 LYS A 106 -1.998 -16.715 9.238 1.00 1.28 H new ATOM 0 HG2 LYS A 106 0.249 -17.498 9.904 1.00 1.73 H new ATOM 0 HG3 LYS A 106 0.432 -16.155 11.015 1.00 1.73 H new ATOM 0 HD2 LYS A 106 -1.791 -17.050 12.120 1.00 2.42 H new ATOM 0 HD3 LYS A 106 -1.466 -18.527 11.234 1.00 2.42 H new ATOM 0 HE2 LYS A 106 0.802 -17.293 12.812 1.00 2.62 H new ATOM 0 HE3 LYS A 106 -0.457 -18.128 13.701 1.00 2.62 H new ATOM 0 HZ1 LYS A 106 1.325 -19.643 13.073 1.00 2.97 H new ATOM 0 HZ2 LYS A 106 -0.116 -20.085 12.291 1.00 2.97 H new ATOM 0 HZ3 LYS A 106 1.104 -19.276 11.430 1.00 2.97 H new ATOM 1714 N GLU A 107 -1.855 -15.985 6.904 1.00 1.01 N ATOM 1715 CA GLU A 107 -1.972 -16.566 5.535 1.00 0.63 C ATOM 1716 C GLU A 107 -1.249 -15.660 4.538 1.00 0.70 C ATOM 1717 O GLU A 107 -1.783 -14.666 4.089 1.00 1.43 O ATOM 1718 CB GLU A 107 -3.450 -16.668 5.149 1.00 0.88 C ATOM 1719 CG GLU A 107 -3.579 -17.359 3.790 1.00 1.71 C ATOM 1720 CD GLU A 107 -4.903 -18.123 3.728 1.00 2.43 C ATOM 1721 OE1 GLU A 107 -5.918 -17.538 4.066 1.00 2.47 O ATOM 1722 OE2 GLU A 107 -4.877 -19.281 3.343 1.00 3.29 O ATOM 0 H GLU A 107 -2.739 -15.846 7.393 1.00 1.01 H new ATOM 0 HA GLU A 107 -1.523 -17.559 5.520 1.00 0.63 H new ATOM 0 HB2 GLU A 107 -3.996 -17.229 5.907 1.00 0.88 H new ATOM 0 HB3 GLU A 107 -3.895 -15.674 5.106 1.00 0.88 H new ATOM 0 HG2 GLU A 107 -3.535 -16.621 2.989 1.00 1.71 H new ATOM 0 HG3 GLU A 107 -2.745 -18.044 3.638 1.00 1.71 H new ATOM 1729 N ALA A 108 -0.032 -15.987 4.197 1.00 0.55 N ATOM 1730 CA ALA A 108 0.719 -15.131 3.237 1.00 1.02 C ATOM 1731 C ALA A 108 2.065 -15.782 2.906 1.00 0.68 C ATOM 1732 O ALA A 108 2.781 -16.229 3.780 1.00 0.42 O ATOM 1733 CB ALA A 108 0.958 -13.762 3.874 1.00 1.84 C ATOM 0 H ALA A 108 0.472 -16.805 4.540 1.00 0.55 H new ATOM 0 HA ALA A 108 0.142 -15.018 2.319 1.00 1.02 H new ATOM 0 HB1 ALA A 108 1.508 -13.128 3.178 1.00 1.84 H new ATOM 0 HB2 ALA A 108 0.000 -13.298 4.109 1.00 1.84 H new ATOM 0 HB3 ALA A 108 1.537 -13.883 4.790 1.00 1.84 H new ATOM 1739 N ASP A 109 2.416 -15.832 1.649 1.00 0.85 N ATOM 1740 CA ASP A 109 3.717 -16.445 1.257 1.00 0.64 C ATOM 1741 C ASP A 109 4.697 -15.338 0.857 1.00 0.53 C ATOM 1742 O ASP A 109 4.328 -14.187 0.735 1.00 0.85 O ATOM 1743 CB ASP A 109 3.500 -17.391 0.074 1.00 0.84 C ATOM 1744 CG ASP A 109 2.016 -17.749 -0.026 1.00 2.47 C ATOM 1745 OD1 ASP A 109 1.566 -18.557 0.770 1.00 2.81 O ATOM 1746 OD2 ASP A 109 1.353 -17.209 -0.898 1.00 3.64 O ATOM 0 H ASP A 109 1.856 -15.474 0.875 1.00 0.85 H new ATOM 0 HA ASP A 109 4.125 -17.007 2.097 1.00 0.64 H new ATOM 0 HB2 ASP A 109 3.834 -16.918 -0.850 1.00 0.84 H new ATOM 0 HB3 ASP A 109 4.095 -18.295 0.203 1.00 0.84 H new ATOM 1751 N GLN A 110 5.943 -15.672 0.653 1.00 0.41 N ATOM 1752 CA GLN A 110 6.937 -14.630 0.265 1.00 0.43 C ATOM 1753 C GLN A 110 6.801 -14.315 -1.227 1.00 0.44 C ATOM 1754 O GLN A 110 7.458 -14.907 -2.061 1.00 0.49 O ATOM 1755 CB GLN A 110 8.355 -15.135 0.551 1.00 0.42 C ATOM 1756 CG GLN A 110 9.122 -14.084 1.356 1.00 0.93 C ATOM 1757 CD GLN A 110 9.028 -14.411 2.847 1.00 1.18 C ATOM 1758 OE1 GLN A 110 10.016 -14.372 3.553 1.00 1.93 O ATOM 1759 NE2 GLN A 110 7.873 -14.738 3.359 1.00 1.61 N ATOM 0 H GLN A 110 6.315 -16.618 0.738 1.00 0.41 H new ATOM 0 HA GLN A 110 6.750 -13.726 0.845 1.00 0.43 H new ATOM 0 HB2 GLN A 110 8.313 -16.073 1.105 1.00 0.42 H new ATOM 0 HB3 GLN A 110 8.874 -15.341 -0.385 1.00 0.42 H new ATOM 0 HG2 GLN A 110 10.166 -14.062 1.043 1.00 0.93 H new ATOM 0 HG3 GLN A 110 8.711 -13.093 1.164 1.00 0.93 H new ATOM 0 HE21 GLN A 110 7.043 -14.771 2.766 1.00 1.61 H new ATOM 0 HE22 GLN A 110 7.800 -14.961 4.352 1.00 1.61 H new ATOM 1768 N SER A 111 5.960 -13.379 -1.571 1.00 0.42 N ATOM 1769 CA SER A 111 5.792 -13.020 -3.006 1.00 0.46 C ATOM 1770 C SER A 111 6.748 -11.878 -3.351 1.00 0.53 C ATOM 1771 O SER A 111 7.702 -11.622 -2.644 1.00 1.11 O ATOM 1772 CB SER A 111 4.352 -12.575 -3.257 1.00 0.47 C ATOM 1773 OG SER A 111 4.261 -11.165 -3.095 1.00 1.14 O ATOM 0 H SER A 111 5.382 -12.848 -0.920 1.00 0.42 H new ATOM 0 HA SER A 111 6.014 -13.886 -3.630 1.00 0.46 H new ATOM 0 HB2 SER A 111 4.042 -12.858 -4.263 1.00 0.47 H new ATOM 0 HB3 SER A 111 3.678 -13.077 -2.563 1.00 0.47 H new ATOM 0 HG SER A 111 3.321 -10.890 -3.142 1.00 1.14 H new ATOM 1779 N THR A 112 6.501 -11.193 -4.429 1.00 0.30 N ATOM 1780 CA THR A 112 7.398 -10.067 -4.816 1.00 0.26 C ATOM 1781 C THR A 112 6.597 -8.762 -4.836 1.00 0.30 C ATOM 1782 O THR A 112 5.400 -8.759 -5.041 1.00 0.24 O ATOM 1783 CB THR A 112 7.985 -10.340 -6.202 1.00 0.18 C ATOM 1784 OG1 THR A 112 6.947 -10.300 -7.171 1.00 0.27 O ATOM 1785 CG2 THR A 112 8.644 -11.720 -6.211 1.00 0.14 C ATOM 0 H THR A 112 5.718 -11.362 -5.060 1.00 0.30 H new ATOM 0 HA THR A 112 8.210 -9.978 -4.094 1.00 0.26 H new ATOM 0 HB THR A 112 8.730 -9.581 -6.440 1.00 0.18 H new ATOM 0 HG1 THR A 112 7.322 -10.473 -8.060 1.00 0.27 H new ATOM 0 HG21 THR A 112 9.063 -11.917 -7.198 1.00 0.14 H new ATOM 0 HG22 THR A 112 9.440 -11.748 -5.467 1.00 0.14 H new ATOM 0 HG23 THR A 112 7.899 -12.480 -5.975 1.00 0.14 H new ATOM 1793 N LEU A 113 7.250 -7.652 -4.617 1.00 0.57 N ATOM 1794 CA LEU A 113 6.527 -6.347 -4.616 1.00 0.70 C ATOM 1795 C LEU A 113 6.143 -5.936 -6.044 1.00 0.71 C ATOM 1796 O LEU A 113 5.454 -4.957 -6.244 1.00 0.93 O ATOM 1797 CB LEU A 113 7.423 -5.269 -4.002 1.00 0.76 C ATOM 1798 CG LEU A 113 6.552 -4.158 -3.410 1.00 0.69 C ATOM 1799 CD1 LEU A 113 6.157 -4.522 -1.978 1.00 0.18 C ATOM 1800 CD2 LEU A 113 7.337 -2.844 -3.403 1.00 1.00 C ATOM 0 H LEU A 113 8.253 -7.592 -4.439 1.00 0.57 H new ATOM 0 HA LEU A 113 5.616 -6.455 -4.027 1.00 0.70 H new ATOM 0 HB2 LEU A 113 8.054 -5.704 -3.226 1.00 0.76 H new ATOM 0 HB3 LEU A 113 8.089 -4.858 -4.761 1.00 0.76 H new ATOM 0 HG LEU A 113 5.653 -4.043 -4.015 1.00 0.69 H new ATOM 0 HD11 LEU A 113 5.537 -3.729 -1.559 1.00 0.18 H new ATOM 0 HD12 LEU A 113 5.597 -5.457 -1.982 1.00 0.18 H new ATOM 0 HD13 LEU A 113 7.055 -4.639 -1.371 1.00 0.18 H new ATOM 0 HD21 LEU A 113 6.718 -2.052 -2.982 1.00 1.00 H new ATOM 0 HD22 LEU A 113 8.237 -2.961 -2.799 1.00 1.00 H new ATOM 0 HD23 LEU A 113 7.616 -2.582 -4.423 1.00 1.00 H new ATOM 1812 N GLU A 114 6.572 -6.661 -7.045 1.00 0.56 N ATOM 1813 CA GLU A 114 6.206 -6.277 -8.437 1.00 0.63 C ATOM 1814 C GLU A 114 4.748 -6.658 -8.698 1.00 0.60 C ATOM 1815 O GLU A 114 3.955 -5.856 -9.150 1.00 0.77 O ATOM 1816 CB GLU A 114 7.117 -7.009 -9.427 1.00 0.60 C ATOM 1817 CG GLU A 114 8.264 -6.085 -9.839 1.00 0.68 C ATOM 1818 CD GLU A 114 9.199 -6.827 -10.796 1.00 0.92 C ATOM 1819 OE1 GLU A 114 8.891 -6.877 -11.975 1.00 1.05 O ATOM 1820 OE2 GLU A 114 10.209 -7.333 -10.332 1.00 1.58 O ATOM 0 H GLU A 114 7.154 -7.494 -6.959 1.00 0.56 H new ATOM 0 HA GLU A 114 6.329 -5.202 -8.565 1.00 0.63 H new ATOM 0 HB2 GLU A 114 7.512 -7.917 -8.972 1.00 0.60 H new ATOM 0 HB3 GLU A 114 6.548 -7.314 -10.305 1.00 0.60 H new ATOM 0 HG2 GLU A 114 7.869 -5.190 -10.320 1.00 0.68 H new ATOM 0 HG3 GLU A 114 8.815 -5.756 -8.958 1.00 0.68 H new ATOM 1827 N ASN A 115 4.390 -7.879 -8.414 1.00 0.39 N ATOM 1828 CA ASN A 115 2.983 -8.318 -8.643 1.00 0.35 C ATOM 1829 C ASN A 115 2.103 -7.913 -7.452 1.00 0.28 C ATOM 1830 O ASN A 115 0.897 -7.824 -7.568 1.00 0.22 O ATOM 1831 CB ASN A 115 2.947 -9.839 -8.807 1.00 0.44 C ATOM 1832 CG ASN A 115 1.525 -10.283 -9.152 1.00 1.02 C ATOM 1833 OD1 ASN A 115 0.997 -11.197 -8.548 1.00 1.84 O ATOM 1834 ND2 ASN A 115 0.877 -9.671 -10.106 1.00 1.88 N ATOM 0 H ASN A 115 5.011 -8.593 -8.033 1.00 0.39 H new ATOM 0 HA ASN A 115 2.603 -7.840 -9.545 1.00 0.35 H new ATOM 0 HB2 ASN A 115 3.636 -10.147 -9.594 1.00 0.44 H new ATOM 0 HB3 ASN A 115 3.277 -10.322 -7.887 1.00 0.44 H new ATOM 0 HD21 ASN A 115 -0.072 -9.959 -10.345 1.00 1.88 H new ATOM 0 HD22 ASN A 115 1.320 -8.904 -10.613 1.00 1.88 H new ATOM 1841 N PHE A 116 2.687 -7.671 -6.308 1.00 0.34 N ATOM 1842 CA PHE A 116 1.869 -7.275 -5.124 1.00 0.34 C ATOM 1843 C PHE A 116 1.448 -5.811 -5.262 1.00 0.33 C ATOM 1844 O PHE A 116 0.297 -5.466 -5.082 1.00 0.36 O ATOM 1845 CB PHE A 116 2.700 -7.455 -3.851 1.00 0.50 C ATOM 1846 CG PHE A 116 2.102 -6.637 -2.730 1.00 0.52 C ATOM 1847 CD1 PHE A 116 1.075 -7.171 -1.940 1.00 0.55 C ATOM 1848 CD2 PHE A 116 2.580 -5.345 -2.473 1.00 0.62 C ATOM 1849 CE1 PHE A 116 0.527 -6.413 -0.897 1.00 0.66 C ATOM 1850 CE2 PHE A 116 2.031 -4.588 -1.433 1.00 0.70 C ATOM 1851 CZ PHE A 116 1.005 -5.122 -0.644 1.00 0.71 C ATOM 0 H PHE A 116 3.692 -7.730 -6.142 1.00 0.34 H new ATOM 0 HA PHE A 116 0.979 -7.902 -5.067 1.00 0.34 H new ATOM 0 HB2 PHE A 116 2.729 -8.508 -3.570 1.00 0.50 H new ATOM 0 HB3 PHE A 116 3.729 -7.145 -4.031 1.00 0.50 H new ATOM 0 HD1 PHE A 116 0.706 -8.167 -2.135 1.00 0.55 H new ATOM 0 HD2 PHE A 116 3.374 -4.933 -3.079 1.00 0.62 H new ATOM 0 HE1 PHE A 116 -0.264 -6.825 -0.288 1.00 0.66 H new ATOM 0 HE2 PHE A 116 2.399 -3.591 -1.238 1.00 0.70 H new ATOM 0 HZ PHE A 116 0.582 -4.538 0.160 1.00 0.71 H new ATOM 1861 N LEU A 117 2.372 -4.946 -5.585 1.00 0.40 N ATOM 1862 CA LEU A 117 2.018 -3.506 -5.738 1.00 0.44 C ATOM 1863 C LEU A 117 1.209 -3.322 -7.022 1.00 0.47 C ATOM 1864 O LEU A 117 0.283 -2.538 -7.074 1.00 0.45 O ATOM 1865 CB LEU A 117 3.295 -2.665 -5.807 1.00 0.53 C ATOM 1866 CG LEU A 117 3.213 -1.527 -4.788 1.00 0.31 C ATOM 1867 CD1 LEU A 117 3.336 -2.100 -3.374 1.00 1.86 C ATOM 1868 CD2 LEU A 117 4.354 -0.537 -5.037 1.00 1.76 C ATOM 0 H LEU A 117 3.353 -5.173 -5.749 1.00 0.40 H new ATOM 0 HA LEU A 117 1.425 -3.182 -4.883 1.00 0.44 H new ATOM 0 HB2 LEU A 117 4.165 -3.289 -5.602 1.00 0.53 H new ATOM 0 HB3 LEU A 117 3.422 -2.260 -6.811 1.00 0.53 H new ATOM 0 HG LEU A 117 2.257 -1.014 -4.891 1.00 0.31 H new ATOM 0 HD11 LEU A 117 3.278 -1.290 -2.647 1.00 1.86 H new ATOM 0 HD12 LEU A 117 2.525 -2.807 -3.196 1.00 1.86 H new ATOM 0 HD13 LEU A 117 4.293 -2.612 -3.271 1.00 1.86 H new ATOM 0 HD21 LEU A 117 4.297 0.274 -4.311 1.00 1.76 H new ATOM 0 HD22 LEU A 117 5.310 -1.050 -4.933 1.00 1.76 H new ATOM 0 HD23 LEU A 117 4.269 -0.130 -6.044 1.00 1.76 H new ATOM 1880 N GLU A 118 1.544 -4.044 -8.058 1.00 0.60 N ATOM 1881 CA GLU A 118 0.783 -3.913 -9.331 1.00 0.73 C ATOM 1882 C GLU A 118 -0.679 -4.280 -9.070 1.00 0.71 C ATOM 1883 O GLU A 118 -1.588 -3.568 -9.448 1.00 0.70 O ATOM 1884 CB GLU A 118 1.379 -4.856 -10.381 1.00 0.91 C ATOM 1885 CG GLU A 118 0.346 -5.134 -11.475 1.00 0.80 C ATOM 1886 CD GLU A 118 1.057 -5.295 -12.820 1.00 1.07 C ATOM 1887 OE1 GLU A 118 1.426 -6.411 -13.144 1.00 1.38 O ATOM 1888 OE2 GLU A 118 1.219 -4.297 -13.504 1.00 1.98 O ATOM 0 H GLU A 118 2.310 -4.717 -8.076 1.00 0.60 H new ATOM 0 HA GLU A 118 0.843 -2.889 -9.700 1.00 0.73 H new ATOM 0 HB2 GLU A 118 2.273 -4.411 -10.817 1.00 0.91 H new ATOM 0 HB3 GLU A 118 1.685 -5.791 -9.911 1.00 0.91 H new ATOM 0 HG2 GLU A 118 -0.216 -6.038 -11.238 1.00 0.80 H new ATOM 0 HG3 GLU A 118 -0.373 -4.316 -11.527 1.00 0.80 H new ATOM 1895 N ARG A 119 -0.908 -5.381 -8.409 1.00 0.71 N ATOM 1896 CA ARG A 119 -2.306 -5.795 -8.102 1.00 0.72 C ATOM 1897 C ARG A 119 -2.951 -4.741 -7.203 1.00 0.66 C ATOM 1898 O ARG A 119 -4.145 -4.527 -7.244 1.00 0.84 O ATOM 1899 CB ARG A 119 -2.292 -7.144 -7.377 1.00 0.73 C ATOM 1900 CG ARG A 119 -2.006 -8.261 -8.384 1.00 0.76 C ATOM 1901 CD ARG A 119 -3.285 -8.589 -9.156 1.00 1.06 C ATOM 1902 NE ARG A 119 -4.368 -8.942 -8.194 1.00 1.43 N ATOM 1903 CZ ARG A 119 -5.625 -8.988 -8.575 1.00 2.32 C ATOM 1904 NH1 ARG A 119 -5.969 -8.749 -9.817 1.00 2.44 N ATOM 1905 NH2 ARG A 119 -6.547 -9.284 -7.701 1.00 3.66 N ATOM 0 H ARG A 119 -0.185 -6.014 -8.067 1.00 0.71 H new ATOM 0 HA ARG A 119 -2.874 -5.889 -9.027 1.00 0.72 H new ATOM 0 HB2 ARG A 119 -1.532 -7.141 -6.595 1.00 0.73 H new ATOM 0 HB3 ARG A 119 -3.251 -7.317 -6.889 1.00 0.73 H new ATOM 0 HG2 ARG A 119 -1.221 -7.951 -9.074 1.00 0.76 H new ATOM 0 HG3 ARG A 119 -1.643 -9.149 -7.866 1.00 0.76 H new ATOM 0 HD2 ARG A 119 -3.586 -7.735 -9.762 1.00 1.06 H new ATOM 0 HD3 ARG A 119 -3.107 -9.418 -9.841 1.00 1.06 H new ATOM 0 HE ARG A 119 -4.130 -9.151 -7.225 1.00 1.43 H new ATOM 0 HH11 ARG A 119 -5.255 -8.522 -10.509 1.00 2.44 H new ATOM 0 HH12 ARG A 119 -6.951 -8.790 -10.091 1.00 2.44 H new ATOM 0 HH21 ARG A 119 -6.289 -9.477 -6.733 1.00 3.66 H new ATOM 0 HH22 ARG A 119 -7.526 -9.323 -7.985 1.00 3.66 H new ATOM 1919 N LEU A 120 -2.173 -4.076 -6.393 1.00 0.47 N ATOM 1920 CA LEU A 120 -2.749 -3.031 -5.502 1.00 0.42 C ATOM 1921 C LEU A 120 -3.413 -1.955 -6.361 1.00 0.40 C ATOM 1922 O LEU A 120 -4.573 -1.653 -6.196 1.00 0.41 O ATOM 1923 CB LEU A 120 -1.638 -2.405 -4.653 1.00 0.39 C ATOM 1924 CG LEU A 120 -1.765 -2.887 -3.207 1.00 0.64 C ATOM 1925 CD1 LEU A 120 -0.405 -3.383 -2.710 1.00 1.24 C ATOM 1926 CD2 LEU A 120 -2.237 -1.731 -2.324 1.00 0.88 C ATOM 0 H LEU A 120 -1.165 -4.211 -6.310 1.00 0.47 H new ATOM 0 HA LEU A 120 -3.489 -3.480 -4.840 1.00 0.42 H new ATOM 0 HB2 LEU A 120 -0.662 -2.679 -5.054 1.00 0.39 H new ATOM 0 HB3 LEU A 120 -1.705 -1.318 -4.692 1.00 0.39 H new ATOM 0 HG LEU A 120 -2.488 -3.701 -3.160 1.00 0.64 H new ATOM 0 HD11 LEU A 120 -0.497 -3.726 -1.680 1.00 1.24 H new ATOM 0 HD12 LEU A 120 -0.067 -4.207 -3.338 1.00 1.24 H new ATOM 0 HD13 LEU A 120 0.319 -2.569 -2.758 1.00 1.24 H new ATOM 0 HD21 LEU A 120 -2.328 -2.074 -1.293 1.00 0.88 H new ATOM 0 HD22 LEU A 120 -1.514 -0.917 -2.373 1.00 0.88 H new ATOM 0 HD23 LEU A 120 -3.206 -1.377 -2.675 1.00 0.88 H new ATOM 1938 N LYS A 121 -2.686 -1.383 -7.284 1.00 0.48 N ATOM 1939 CA LYS A 121 -3.270 -0.329 -8.169 1.00 0.46 C ATOM 1940 C LYS A 121 -4.550 -0.848 -8.813 1.00 0.44 C ATOM 1941 O LYS A 121 -5.602 -0.249 -8.714 1.00 0.41 O ATOM 1942 CB LYS A 121 -2.277 -0.003 -9.286 1.00 0.43 C ATOM 1943 CG LYS A 121 -2.646 1.338 -9.921 1.00 0.39 C ATOM 1944 CD LYS A 121 -2.975 1.128 -11.401 1.00 0.64 C ATOM 1945 CE LYS A 121 -1.732 0.617 -12.135 1.00 1.05 C ATOM 1946 NZ LYS A 121 -1.209 1.689 -13.029 1.00 1.40 N ATOM 0 H LYS A 121 -1.706 -1.601 -7.465 1.00 0.48 H new ATOM 0 HA LYS A 121 -3.483 0.558 -7.572 1.00 0.46 H new ATOM 0 HB2 LYS A 121 -1.264 0.039 -8.886 1.00 0.43 H new ATOM 0 HB3 LYS A 121 -2.290 -0.790 -10.040 1.00 0.43 H new ATOM 0 HG2 LYS A 121 -3.502 1.773 -9.405 1.00 0.39 H new ATOM 0 HG3 LYS A 121 -1.820 2.041 -9.817 1.00 0.39 H new ATOM 0 HD2 LYS A 121 -3.791 0.413 -11.505 1.00 0.64 H new ATOM 0 HD3 LYS A 121 -3.313 2.064 -11.845 1.00 0.64 H new ATOM 0 HE2 LYS A 121 -0.967 0.322 -11.416 1.00 1.05 H new ATOM 0 HE3 LYS A 121 -1.980 -0.270 -12.719 1.00 1.05 H new ATOM 0 HZ1 LYS A 121 -0.365 1.343 -13.528 1.00 1.40 H new ATOM 0 HZ2 LYS A 121 -1.939 1.949 -13.722 1.00 1.40 H new ATOM 0 HZ3 LYS A 121 -0.958 2.523 -12.461 1.00 1.40 H new ATOM 1960 N THR A 122 -4.433 -1.947 -9.491 1.00 0.57 N ATOM 1961 CA THR A 122 -5.597 -2.559 -10.201 1.00 0.57 C ATOM 1962 C THR A 122 -6.846 -2.567 -9.315 1.00 0.59 C ATOM 1963 O THR A 122 -7.941 -2.301 -9.767 1.00 0.59 O ATOM 1964 CB THR A 122 -5.252 -4.004 -10.589 1.00 0.52 C ATOM 1965 OG1 THR A 122 -3.938 -4.330 -10.166 1.00 0.59 O ATOM 1966 CG2 THR A 122 -5.340 -4.153 -12.103 1.00 0.40 C ATOM 0 H THR A 122 -3.560 -2.465 -9.589 1.00 0.57 H new ATOM 0 HA THR A 122 -5.806 -1.963 -11.090 1.00 0.57 H new ATOM 0 HB THR A 122 -5.959 -4.677 -10.103 1.00 0.52 H new ATOM 0 HG1 THR A 122 -3.524 -4.931 -10.820 1.00 0.59 H new ATOM 0 HG21 THR A 122 -5.096 -5.178 -12.383 1.00 0.40 H new ATOM 0 HG22 THR A 122 -6.352 -3.918 -12.434 1.00 0.40 H new ATOM 0 HG23 THR A 122 -4.636 -3.470 -12.577 1.00 0.40 H new ATOM 1974 N ILE A 123 -6.692 -2.894 -8.069 1.00 0.64 N ATOM 1975 CA ILE A 123 -7.872 -2.950 -7.155 1.00 0.68 C ATOM 1976 C ILE A 123 -8.359 -1.543 -6.779 1.00 0.73 C ATOM 1977 O ILE A 123 -9.540 -1.315 -6.621 1.00 0.80 O ATOM 1978 CB ILE A 123 -7.484 -3.702 -5.880 1.00 0.55 C ATOM 1979 CG1 ILE A 123 -7.122 -5.151 -6.226 1.00 0.60 C ATOM 1980 CG2 ILE A 123 -8.659 -3.688 -4.900 1.00 0.51 C ATOM 1981 CD1 ILE A 123 -8.302 -5.828 -6.927 1.00 0.92 C ATOM 0 H ILE A 123 -5.798 -3.127 -7.636 1.00 0.64 H new ATOM 0 HA ILE A 123 -8.681 -3.465 -7.674 1.00 0.68 H new ATOM 0 HB ILE A 123 -6.623 -3.215 -5.422 1.00 0.55 H new ATOM 0 HG12 ILE A 123 -6.244 -5.172 -6.871 1.00 0.60 H new ATOM 0 HG13 ILE A 123 -6.864 -5.697 -5.319 1.00 0.60 H new ATOM 0 HG21 ILE A 123 -8.382 -4.224 -3.992 1.00 0.51 H new ATOM 0 HG22 ILE A 123 -8.912 -2.658 -4.650 1.00 0.51 H new ATOM 0 HG23 ILE A 123 -9.521 -4.173 -5.359 1.00 0.51 H new ATOM 0 HD11 ILE A 123 -8.039 -6.857 -7.170 1.00 0.92 H new ATOM 0 HD12 ILE A 123 -9.170 -5.822 -6.267 1.00 0.92 H new ATOM 0 HD13 ILE A 123 -8.539 -5.288 -7.844 1.00 0.92 H new ATOM 1993 N MET A 124 -7.470 -0.604 -6.614 1.00 0.72 N ATOM 1994 CA MET A 124 -7.906 0.771 -6.222 1.00 0.77 C ATOM 1995 C MET A 124 -8.788 1.386 -7.314 1.00 0.75 C ATOM 1996 O MET A 124 -9.767 2.046 -7.032 1.00 0.89 O ATOM 1997 CB MET A 124 -6.681 1.670 -6.009 1.00 0.81 C ATOM 1998 CG MET A 124 -5.774 1.084 -4.924 1.00 1.00 C ATOM 1999 SD MET A 124 -6.616 1.144 -3.323 1.00 0.17 S ATOM 2000 CE MET A 124 -5.686 2.533 -2.628 1.00 0.32 C ATOM 0 H MET A 124 -6.464 -0.725 -6.732 1.00 0.72 H new ATOM 0 HA MET A 124 -8.476 0.696 -5.296 1.00 0.77 H new ATOM 0 HB2 MET A 124 -6.127 1.768 -6.942 1.00 0.81 H new ATOM 0 HB3 MET A 124 -7.002 2.672 -5.722 1.00 0.81 H new ATOM 0 HG2 MET A 124 -5.515 0.054 -5.171 1.00 1.00 H new ATOM 0 HG3 MET A 124 -4.841 1.645 -4.876 1.00 1.00 H new ATOM 0 HE1 MET A 124 -4.975 2.162 -1.890 1.00 0.32 H new ATOM 0 HE2 MET A 124 -5.148 3.046 -3.425 1.00 0.32 H new ATOM 0 HE3 MET A 124 -6.375 3.229 -2.150 1.00 0.32 H new ATOM 2010 N ARG A 125 -8.440 1.198 -8.554 1.00 0.59 N ATOM 2011 CA ARG A 125 -9.246 1.801 -9.654 1.00 0.57 C ATOM 2012 C ARG A 125 -10.426 0.899 -10.026 1.00 0.52 C ATOM 2013 O ARG A 125 -11.573 1.293 -9.938 1.00 0.49 O ATOM 2014 CB ARG A 125 -8.353 1.994 -10.882 1.00 0.66 C ATOM 2015 CG ARG A 125 -9.191 2.529 -12.047 1.00 0.64 C ATOM 2016 CD ARG A 125 -8.545 3.801 -12.606 1.00 1.36 C ATOM 2017 NE ARG A 125 -9.323 4.993 -12.155 1.00 2.56 N ATOM 2018 CZ ARG A 125 -8.824 6.203 -12.259 1.00 3.57 C ATOM 2019 NH1 ARG A 125 -7.626 6.407 -12.754 1.00 3.51 N ATOM 2020 NH2 ARG A 125 -9.534 7.224 -11.860 1.00 4.96 N ATOM 0 H ARG A 125 -7.632 0.653 -8.856 1.00 0.59 H new ATOM 0 HA ARG A 125 -9.637 2.760 -9.314 1.00 0.57 H new ATOM 0 HB2 ARG A 125 -7.546 2.690 -10.652 1.00 0.66 H new ATOM 0 HB3 ARG A 125 -7.889 1.048 -11.159 1.00 0.66 H new ATOM 0 HG2 ARG A 125 -9.267 1.774 -12.830 1.00 0.64 H new ATOM 0 HG3 ARG A 125 -10.205 2.743 -11.710 1.00 0.64 H new ATOM 0 HD2 ARG A 125 -7.512 3.877 -12.266 1.00 1.36 H new ATOM 0 HD3 ARG A 125 -8.520 3.761 -13.695 1.00 1.36 H new ATOM 0 HE ARG A 125 -10.255 4.866 -11.761 1.00 2.56 H new ATOM 0 HH11 ARG A 125 -7.062 5.617 -13.067 1.00 3.51 H new ATOM 0 HH12 ARG A 125 -7.258 7.356 -12.825 1.00 3.51 H new ATOM 0 HH21 ARG A 125 -10.466 7.077 -11.472 1.00 4.96 H new ATOM 0 HH22 ARG A 125 -9.157 8.169 -11.936 1.00 4.96 H new ATOM 2034 N GLU A 126 -10.153 -0.294 -10.467 1.00 0.99 N ATOM 2035 CA GLU A 126 -11.252 -1.218 -10.879 1.00 1.01 C ATOM 2036 C GLU A 126 -12.312 -1.343 -9.778 1.00 0.93 C ATOM 2037 O GLU A 126 -13.474 -1.562 -10.057 1.00 0.87 O ATOM 2038 CB GLU A 126 -10.666 -2.600 -11.174 1.00 1.15 C ATOM 2039 CG GLU A 126 -11.790 -3.552 -11.586 1.00 0.25 C ATOM 2040 CD GLU A 126 -11.498 -4.116 -12.977 1.00 1.34 C ATOM 2041 OE1 GLU A 126 -10.570 -4.898 -13.094 1.00 1.72 O ATOM 2042 OE2 GLU A 126 -12.209 -3.758 -13.902 1.00 2.30 O ATOM 0 H GLU A 126 -9.212 -0.675 -10.562 1.00 0.99 H new ATOM 0 HA GLU A 126 -11.728 -0.810 -11.771 1.00 1.01 H new ATOM 0 HB2 GLU A 126 -9.924 -2.530 -11.969 1.00 1.15 H new ATOM 0 HB3 GLU A 126 -10.153 -2.985 -10.293 1.00 1.15 H new ATOM 0 HG2 GLU A 126 -11.876 -4.364 -10.864 1.00 0.25 H new ATOM 0 HG3 GLU A 126 -12.744 -3.025 -11.589 1.00 0.25 H new ATOM 2049 N LYS A 127 -11.935 -1.227 -8.534 1.00 1.01 N ATOM 2050 CA LYS A 127 -12.945 -1.369 -7.444 1.00 0.94 C ATOM 2051 C LYS A 127 -13.575 -0.014 -7.112 1.00 0.91 C ATOM 2052 O LYS A 127 -14.771 0.088 -6.917 1.00 1.02 O ATOM 2053 CB LYS A 127 -12.277 -1.930 -6.187 1.00 1.09 C ATOM 2054 CG LYS A 127 -13.350 -2.258 -5.146 1.00 1.45 C ATOM 2055 CD LYS A 127 -14.141 -3.491 -5.594 1.00 1.03 C ATOM 2056 CE LYS A 127 -13.768 -4.696 -4.725 1.00 0.75 C ATOM 2057 NZ LYS A 127 -14.986 -5.207 -4.036 1.00 1.29 N ATOM 0 H LYS A 127 -10.981 -1.042 -8.226 1.00 1.01 H new ATOM 0 HA LYS A 127 -13.724 -2.050 -7.786 1.00 0.94 H new ATOM 0 HB2 LYS A 127 -11.707 -2.826 -6.433 1.00 1.09 H new ATOM 0 HB3 LYS A 127 -11.571 -1.205 -5.782 1.00 1.09 H new ATOM 0 HG2 LYS A 127 -12.886 -2.443 -4.177 1.00 1.45 H new ATOM 0 HG3 LYS A 127 -14.021 -1.408 -5.021 1.00 1.45 H new ATOM 0 HD2 LYS A 127 -15.210 -3.295 -5.518 1.00 1.03 H new ATOM 0 HD3 LYS A 127 -13.930 -3.708 -6.641 1.00 1.03 H new ATOM 0 HE2 LYS A 127 -13.330 -5.481 -5.341 1.00 0.75 H new ATOM 0 HE3 LYS A 127 -13.015 -4.409 -3.991 1.00 0.75 H new ATOM 0 HZ1 LYS A 127 -14.733 -6.025 -3.446 1.00 1.29 H new ATOM 0 HZ2 LYS A 127 -15.386 -4.457 -3.436 1.00 1.29 H new ATOM 0 HZ3 LYS A 127 -15.690 -5.496 -4.745 1.00 1.29 H new ATOM 2071 N TYR A 128 -12.791 1.026 -7.028 1.00 0.86 N ATOM 2072 CA TYR A 128 -13.372 2.356 -6.686 1.00 0.92 C ATOM 2073 C TYR A 128 -13.775 3.123 -7.950 1.00 1.24 C ATOM 2074 O TYR A 128 -13.938 4.327 -7.924 1.00 1.50 O ATOM 2075 CB TYR A 128 -12.353 3.161 -5.880 1.00 0.64 C ATOM 2076 CG TYR A 128 -11.950 2.356 -4.667 1.00 0.43 C ATOM 2077 CD1 TYR A 128 -12.921 1.651 -3.943 1.00 1.40 C ATOM 2078 CD2 TYR A 128 -10.610 2.307 -4.270 1.00 0.96 C ATOM 2079 CE1 TYR A 128 -12.551 0.898 -2.824 1.00 2.30 C ATOM 2080 CE2 TYR A 128 -10.241 1.552 -3.150 1.00 1.72 C ATOM 2081 CZ TYR A 128 -11.213 0.848 -2.429 1.00 2.35 C ATOM 2082 OH TYR A 128 -10.852 0.104 -1.326 1.00 3.30 O ATOM 0 H TYR A 128 -11.782 1.014 -7.180 1.00 0.86 H new ATOM 0 HA TYR A 128 -14.271 2.203 -6.089 1.00 0.92 H new ATOM 0 HB2 TYR A 128 -11.479 3.385 -6.492 1.00 0.64 H new ATOM 0 HB3 TYR A 128 -12.782 4.115 -5.575 1.00 0.64 H new ATOM 0 HD1 TYR A 128 -13.956 1.689 -4.249 1.00 1.40 H new ATOM 0 HD2 TYR A 128 -9.861 2.851 -4.826 1.00 0.96 H new ATOM 0 HE1 TYR A 128 -13.300 0.356 -2.266 1.00 2.30 H new ATOM 0 HE2 TYR A 128 -9.207 1.513 -2.842 1.00 1.72 H new ATOM 0 HH TYR A 128 -10.153 0.577 -0.827 1.00 3.30 H new ATOM 2092 N SER A 129 -13.967 2.444 -9.047 1.00 1.24 N ATOM 2093 CA SER A 129 -14.394 3.150 -10.284 1.00 1.58 C ATOM 2094 C SER A 129 -15.881 3.526 -10.167 1.00 1.79 C ATOM 2095 O SER A 129 -16.409 4.252 -10.985 1.00 2.09 O ATOM 2096 CB SER A 129 -14.192 2.233 -11.490 1.00 1.42 C ATOM 2097 OG SER A 129 -13.279 2.841 -12.394 1.00 2.14 O ATOM 0 H SER A 129 -13.847 1.435 -9.139 1.00 1.24 H new ATOM 0 HA SER A 129 -13.798 4.054 -10.413 1.00 1.58 H new ATOM 0 HB2 SER A 129 -13.810 1.265 -11.166 1.00 1.42 H new ATOM 0 HB3 SER A 129 -15.145 2.050 -11.986 1.00 1.42 H new ATOM 0 HG SER A 129 -13.146 2.255 -13.168 1.00 2.14 H new ATOM 2103 N LYS A 130 -16.564 3.035 -9.158 1.00 1.71 N ATOM 2104 CA LYS A 130 -18.008 3.364 -8.996 1.00 2.02 C ATOM 2105 C LYS A 130 -18.173 4.391 -7.872 1.00 2.58 C ATOM 2106 O LYS A 130 -18.656 5.486 -8.083 1.00 4.16 O ATOM 2107 CB LYS A 130 -18.776 2.089 -8.642 1.00 1.69 C ATOM 2108 CG LYS A 130 -20.241 2.429 -8.366 1.00 2.15 C ATOM 2109 CD LYS A 130 -21.045 1.136 -8.207 1.00 2.02 C ATOM 2110 CE LYS A 130 -20.915 0.625 -6.770 1.00 2.86 C ATOM 2111 NZ LYS A 130 -21.499 -0.742 -6.674 1.00 2.85 N ATOM 0 H LYS A 130 -16.178 2.420 -8.441 1.00 1.71 H new ATOM 0 HA LYS A 130 -18.398 3.780 -9.925 1.00 2.02 H new ATOM 0 HB2 LYS A 130 -18.707 1.372 -9.460 1.00 1.69 H new ATOM 0 HB3 LYS A 130 -18.331 1.616 -7.766 1.00 1.69 H new ATOM 0 HG2 LYS A 130 -20.321 3.033 -7.462 1.00 2.15 H new ATOM 0 HG3 LYS A 130 -20.647 3.024 -9.184 1.00 2.15 H new ATOM 0 HD2 LYS A 130 -22.093 1.316 -8.447 1.00 2.02 H new ATOM 0 HD3 LYS A 130 -20.683 0.382 -8.906 1.00 2.02 H new ATOM 0 HE2 LYS A 130 -19.866 0.606 -6.473 1.00 2.86 H new ATOM 0 HE3 LYS A 130 -21.428 1.300 -6.085 1.00 2.86 H new ATOM 0 HZ1 LYS A 130 -21.411 -1.089 -5.698 1.00 2.85 H new ATOM 0 HZ2 LYS A 130 -22.504 -0.710 -6.941 1.00 2.85 H new ATOM 0 HZ3 LYS A 130 -20.991 -1.383 -7.317 1.00 2.85 H new ATOM 2125 N CYS A 131 -17.772 4.045 -6.679 1.00 1.35 N ATOM 2126 CA CYS A 131 -17.903 5.001 -5.540 1.00 1.81 C ATOM 2127 C CYS A 131 -17.123 6.278 -5.858 1.00 3.21 C ATOM 2128 O CYS A 131 -17.548 7.372 -5.544 1.00 4.14 O ATOM 2129 CB CYS A 131 -17.339 4.365 -4.266 1.00 0.63 C ATOM 2130 SG CYS A 131 -17.422 5.561 -2.907 1.00 1.25 S ATOM 0 H CYS A 131 -17.359 3.143 -6.443 1.00 1.35 H new ATOM 0 HA CYS A 131 -18.955 5.242 -5.389 1.00 1.81 H new ATOM 0 HB2 CYS A 131 -17.906 3.470 -4.012 1.00 0.63 H new ATOM 0 HB3 CYS A 131 -16.307 4.053 -4.428 1.00 0.63 H new ATOM 2135 N SER A 132 -15.983 6.146 -6.480 1.00 3.77 N ATOM 2136 CA SER A 132 -15.175 7.351 -6.819 1.00 5.45 C ATOM 2137 C SER A 132 -15.146 7.535 -8.337 1.00 6.40 C ATOM 2138 O SER A 132 -15.657 6.721 -9.081 1.00 5.70 O ATOM 2139 CB SER A 132 -13.748 7.170 -6.301 1.00 6.07 C ATOM 2140 OG SER A 132 -13.599 7.876 -5.077 1.00 6.03 O ATOM 0 H SER A 132 -15.577 5.256 -6.768 1.00 3.77 H new ATOM 0 HA SER A 132 -15.622 8.230 -6.355 1.00 5.45 H new ATOM 0 HB2 SER A 132 -13.535 6.112 -6.152 1.00 6.07 H new ATOM 0 HB3 SER A 132 -13.033 7.539 -7.036 1.00 6.07 H new ATOM 0 HG SER A 132 -12.685 7.760 -4.742 1.00 6.03 H new ATOM 2146 N SER A 133 -14.550 8.598 -8.804 1.00 8.04 N ATOM 2147 CA SER A 133 -14.489 8.831 -10.275 1.00 9.07 C ATOM 2148 C SER A 133 -13.035 9.047 -10.696 1.00 10.70 C ATOM 2149 O SER A 133 -12.560 8.290 -11.527 1.00 11.27 O ATOM 2150 CB SER A 133 -15.313 10.068 -10.631 1.00 9.67 C ATOM 2151 OG SER A 133 -16.215 10.352 -9.570 1.00 8.92 O ATOM 2152 OXT SER A 133 -12.420 9.967 -10.180 1.00 11.45 O ATOM 0 H SER A 133 -14.103 9.314 -8.232 1.00 8.04 H new ATOM 0 HA SER A 133 -14.894 7.964 -10.797 1.00 9.07 H new ATOM 0 HB2 SER A 133 -14.655 10.920 -10.803 1.00 9.67 H new ATOM 0 HB3 SER A 133 -15.864 9.899 -11.556 1.00 9.67 H new ATOM 0 HG SER A 133 -16.744 11.146 -9.794 1.00 8.92 H new TER 2158 SER A 133