USER MOD reduce.3.24.130724 H: found=0, std=0, add=797, rem=0, adj=25 USER MOD reduce.3.24.130724 removed 800 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 91 GLN :FLIP amide:sc= -2.92 F(o=-5.7!,f=-3.4) USER MOD Set 1.2: A 92 GLN : amide:sc= -0.497 K(o=-3.4,f=-4.5!) USER MOD Set 2.1: A 43 ASN : amide:sc= -2.91! C(o=-2.1!,f=-10!) USER MOD Set 2.2: A 47 ASN : amide:sc= 0.808 K(o=-2.1,f=-5.3) USER MOD Set 3.1: A 39 CYS SG : rot 121:sc= -7.79! USER MOD Set 3.2: A 83 SER OG : rot -29:sc= 0.303 USER MOD Set 4.1: A 37 THR OG1 : rot 180:sc= 0 USER MOD Set 4.2: A 38 GLN : amide:sc= -0.18 X(o=-0.18,f=-0.61) USER MOD Single : A 14 MET CE :methyl 155:sc= -0.251 (180deg=-1.11) USER MOD Single : A 16 SER OG : rot 180:sc= 0 USER MOD Single : A 17 HIS : no HD1:sc= 0.684 K(o=0.68,f=-3.9!) USER MOD Single : A 19 HIS : no HE2:sc= -1.85! C(o=-1.8!,f=-5.6!) USER MOD Single : A 21 GLN :FLIP amide:sc= -1.35 F(o=-5.8!,f=-1.3) USER MOD Single : A 24 LYS NZ :NH3+ -104:sc= 1.25 (180deg=0.152) USER MOD Single : A 25 SER OG : rot 74:sc= 0.548 USER MOD Single : A 26 ASN :FLIP amide:sc= -1.08 F(o=-3.3!,f=-1.1) USER MOD Single : A 32 THR OG1 : rot 180:sc= 0 USER MOD Single : A 33 HIS :FLIP no HD1:sc= -4.46! C(o=-5.1!,f=-4.5!) USER MOD Single : A 36 ASN : amide:sc= -1.35 K(o=-1.3,f=-2.7) USER MOD Single : A 46 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 49 TYR OH : rot 110:sc= 0.834 USER MOD Single : A 51 SER OG : rot 142:sc= 1.38 USER MOD Single : A 59 CYS SG : rot -29:sc= -0.889! USER MOD Single : A 61 CYS SG : rot 180:sc= 0 USER MOD Single : A 63 THR OG1 : rot 16:sc= 0.955 USER MOD Single : A 64 GLN : amide:sc= 0 K(o=0,f=-0.63) USER MOD Single : A 67 LYS NZ :NH3+ 147:sc= -2.17! (180deg=-2.46!) USER MOD Single : A 70 LYS NZ :NH3+ 147:sc= -0.196 (180deg=-1.79!) USER MOD Single : A 76 GLN : amide:sc= 0.311 K(o=0.31,f=-1.3!) USER MOD Single : A 77 SER OG : rot 180:sc= 0 USER MOD Single : A 78 LYS NZ :NH3+ -146:sc= 0.38 (180deg=-1.48!) USER MOD Single : A 88 TYR OH : rot 150:sc= -1.71! USER MOD Single : A 97 TYR OH : rot 180:sc= 0 USER MOD Single : A 110 SER OG : rot 180:sc= 0 USER MOD ----------------------------------------------------------------- ATOM 1 N GLY A 12 -9.177 12.158 4.102 1.00 9.03 N ATOM 2 CA GLY A 12 -8.218 11.561 5.060 1.00 8.58 C ATOM 3 C GLY A 12 -8.913 10.781 6.156 1.00 7.72 C ATOM 4 O GLY A 12 -8.301 10.441 7.166 1.00 7.84 O ATOM 0 HA2 GLY A 12 -7.535 10.901 4.524 1.00 8.58 H new ATOM 0 HA3 GLY A 12 -7.614 12.351 5.506 1.00 8.58 H new ATOM 10 N ALA A 13 -10.194 10.494 5.962 1.00 7.10 N ATOM 11 CA ALA A 13 -10.961 9.746 6.940 1.00 6.53 C ATOM 12 C ALA A 13 -11.278 8.366 6.387 1.00 5.64 C ATOM 13 O ALA A 13 -12.379 7.851 6.574 1.00 5.46 O ATOM 14 CB ALA A 13 -12.242 10.491 7.288 1.00 6.80 C ATOM 0 H ALA A 13 -10.721 10.770 5.134 1.00 7.10 H new ATOM 0 HA ALA A 13 -10.374 9.636 7.852 1.00 6.53 H new ATOM 0 HB1 ALA A 13 -12.808 9.918 8.023 1.00 6.80 H new ATOM 0 HB2 ALA A 13 -11.994 11.468 7.702 1.00 6.80 H new ATOM 0 HB3 ALA A 13 -12.843 10.621 6.388 1.00 6.80 H new ATOM 20 N MET A 14 -10.303 7.802 5.665 1.00 5.41 N ATOM 21 CA MET A 14 -10.441 6.511 4.982 1.00 4.79 C ATOM 22 C MET A 14 -11.354 6.622 3.759 1.00 3.99 C ATOM 23 O MET A 14 -11.146 5.933 2.756 1.00 4.17 O ATOM 24 CB MET A 14 -10.954 5.422 5.933 1.00 5.31 C ATOM 25 CG MET A 14 -11.154 4.075 5.258 1.00 5.50 C ATOM 26 SD MET A 14 -11.910 2.854 6.343 1.00 6.58 S ATOM 27 CE MET A 14 -13.439 3.688 6.773 1.00 7.20 C ATOM 0 H MET A 14 -9.387 8.233 5.537 1.00 5.41 H new ATOM 0 HA MET A 14 -9.446 6.223 4.642 1.00 4.79 H new ATOM 0 HB2 MET A 14 -10.248 5.306 6.755 1.00 5.31 H new ATOM 0 HB3 MET A 14 -11.900 5.746 6.368 1.00 5.31 H new ATOM 0 HG2 MET A 14 -11.780 4.206 4.375 1.00 5.50 H new ATOM 0 HG3 MET A 14 -10.190 3.700 4.913 1.00 5.50 H new ATOM 0 HE1 MET A 14 -14.192 2.949 7.047 1.00 7.20 H new ATOM 0 HE2 MET A 14 -13.264 4.357 7.615 1.00 7.20 H new ATOM 0 HE3 MET A 14 -13.792 4.265 5.918 1.00 7.20 H new ATOM 37 N GLU A 15 -12.358 7.491 3.861 1.00 3.65 N ATOM 38 CA GLU A 15 -13.302 7.762 2.782 1.00 3.40 C ATOM 39 C GLU A 15 -14.093 6.511 2.402 1.00 2.63 C ATOM 40 O GLU A 15 -15.141 6.234 2.985 1.00 2.90 O ATOM 41 CB GLU A 15 -12.593 8.353 1.554 1.00 4.21 C ATOM 42 CG GLU A 15 -12.345 9.856 1.636 1.00 5.16 C ATOM 43 CD GLU A 15 -11.568 10.280 2.869 1.00 5.80 C ATOM 44 OE1 GLU A 15 -10.334 10.112 2.893 1.00 6.20 O ATOM 45 OE2 GLU A 15 -12.187 10.810 3.815 1.00 6.21 O ATOM 0 H GLU A 15 -12.540 8.032 4.706 1.00 3.65 H new ATOM 0 HA GLU A 15 -14.010 8.504 3.151 1.00 3.40 H new ATOM 0 HB2 GLU A 15 -11.638 7.846 1.421 1.00 4.21 H new ATOM 0 HB3 GLU A 15 -13.191 8.143 0.667 1.00 4.21 H new ATOM 0 HG2 GLU A 15 -11.801 10.174 0.747 1.00 5.16 H new ATOM 0 HG3 GLU A 15 -13.304 10.375 1.625 1.00 5.16 H new ATOM 52 N SER A 16 -13.579 5.746 1.451 1.00 2.29 N ATOM 53 CA SER A 16 -14.254 4.542 0.999 1.00 2.23 C ATOM 54 C SER A 16 -13.254 3.523 0.470 1.00 1.84 C ATOM 55 O SER A 16 -13.566 2.750 -0.436 1.00 2.63 O ATOM 56 CB SER A 16 -15.274 4.898 -0.084 1.00 3.27 C ATOM 57 OG SER A 16 -14.665 5.639 -1.131 1.00 4.00 O ATOM 0 H SER A 16 -12.696 5.939 0.978 1.00 2.29 H new ATOM 0 HA SER A 16 -14.772 4.095 1.847 1.00 2.23 H new ATOM 0 HB2 SER A 16 -15.715 3.986 -0.487 1.00 3.27 H new ATOM 0 HB3 SER A 16 -16.086 5.479 0.353 1.00 3.27 H new ATOM 0 HG SER A 16 -15.336 5.854 -1.813 1.00 4.00 H new ATOM 63 N HIS A 17 -12.051 3.519 1.050 1.00 1.21 N ATOM 64 CA HIS A 17 -10.970 2.652 0.574 1.00 1.12 C ATOM 65 C HIS A 17 -10.613 3.005 -0.872 1.00 0.95 C ATOM 66 O HIS A 17 -10.852 2.219 -1.782 1.00 1.29 O ATOM 67 CB HIS A 17 -11.362 1.169 0.673 1.00 1.94 C ATOM 68 CG HIS A 17 -11.285 0.597 2.058 1.00 2.42 C ATOM 69 ND1 HIS A 17 -12.326 0.636 2.961 1.00 3.33 N ATOM 70 CD2 HIS A 17 -10.277 -0.050 2.684 1.00 2.69 C ATOM 71 CE1 HIS A 17 -11.956 0.036 4.080 1.00 3.81 C ATOM 72 NE2 HIS A 17 -10.717 -0.390 3.937 1.00 3.44 N ATOM 0 H HIS A 17 -11.801 4.104 1.847 1.00 1.21 H new ATOM 0 HA HIS A 17 -10.100 2.815 1.210 1.00 1.12 H new ATOM 0 HB2 HIS A 17 -12.379 1.049 0.300 1.00 1.94 H new ATOM 0 HB3 HIS A 17 -10.712 0.590 0.017 1.00 1.94 H new ATOM 0 HD2 HIS A 17 -9.301 -0.261 2.272 1.00 2.69 H new ATOM 0 HE1 HIS A 17 -12.567 -0.085 4.963 1.00 3.81 H new ATOM 0 HE2 HIS A 17 -10.175 -0.890 4.642 1.00 3.44 H new ATOM 81 N PRO A 18 -10.041 4.199 -1.104 1.00 0.69 N ATOM 82 CA PRO A 18 -9.765 4.679 -2.456 1.00 0.74 C ATOM 83 C PRO A 18 -8.537 4.018 -3.094 1.00 0.62 C ATOM 84 O PRO A 18 -8.646 2.957 -3.716 1.00 0.57 O ATOM 85 CB PRO A 18 -9.557 6.181 -2.258 1.00 0.95 C ATOM 86 CG PRO A 18 -9.051 6.321 -0.861 1.00 1.15 C ATOM 87 CD PRO A 18 -9.624 5.171 -0.073 1.00 0.84 C ATOM 0 HA PRO A 18 -10.573 4.438 -3.147 1.00 0.74 H new ATOM 0 HB2 PRO A 18 -8.842 6.579 -2.978 1.00 0.95 H new ATOM 0 HB3 PRO A 18 -10.488 6.730 -2.397 1.00 0.95 H new ATOM 0 HG2 PRO A 18 -7.961 6.299 -0.840 1.00 1.15 H new ATOM 0 HG3 PRO A 18 -9.359 7.275 -0.432 1.00 1.15 H new ATOM 0 HD2 PRO A 18 -8.883 4.742 0.602 1.00 0.84 H new ATOM 0 HD3 PRO A 18 -10.468 5.489 0.539 1.00 0.84 H new ATOM 95 N HIS A 19 -7.362 4.621 -2.927 1.00 0.68 N ATOM 96 CA HIS A 19 -6.162 4.082 -3.549 1.00 0.70 C ATOM 97 C HIS A 19 -5.669 2.844 -2.812 1.00 0.61 C ATOM 98 O HIS A 19 -5.074 1.966 -3.426 1.00 0.63 O ATOM 99 CB HIS A 19 -5.039 5.123 -3.778 1.00 0.95 C ATOM 100 CG HIS A 19 -4.852 6.191 -2.734 1.00 0.54 C ATOM 101 ND1 HIS A 19 -3.614 6.558 -2.258 1.00 1.09 N ATOM 102 CD2 HIS A 19 -5.735 7.032 -2.146 1.00 1.06 C ATOM 103 CE1 HIS A 19 -3.742 7.571 -1.428 1.00 1.26 C ATOM 104 NE2 HIS A 19 -5.021 7.882 -1.339 1.00 1.23 N ATOM 0 H HIS A 19 -7.219 5.467 -2.376 1.00 0.68 H new ATOM 0 HA HIS A 19 -6.457 3.780 -4.554 1.00 0.70 H new ATOM 0 HB2 HIS A 19 -4.097 4.584 -3.879 1.00 0.95 H new ATOM 0 HB3 HIS A 19 -5.228 5.616 -4.732 1.00 0.95 H new ATOM 0 HD1 HIS A 19 -2.732 6.113 -2.510 1.00 1.09 H new ATOM 0 HD2 HIS A 19 -6.806 7.034 -2.286 1.00 1.06 H new ATOM 0 HE1 HIS A 19 -2.935 8.065 -0.907 1.00 1.26 H new ATOM 113 N ILE A 20 -5.949 2.745 -1.514 1.00 0.60 N ATOM 114 CA ILE A 20 -5.607 1.536 -0.766 1.00 0.61 C ATOM 115 C ILE A 20 -6.208 0.302 -1.431 1.00 0.55 C ATOM 116 O ILE A 20 -5.544 -0.731 -1.563 1.00 0.62 O ATOM 117 CB ILE A 20 -6.084 1.571 0.712 1.00 0.65 C ATOM 118 CG1 ILE A 20 -7.320 2.459 0.889 1.00 0.93 C ATOM 119 CG2 ILE A 20 -4.964 2.010 1.644 1.00 1.21 C ATOM 120 CD1 ILE A 20 -7.831 2.510 2.318 1.00 0.90 C ATOM 0 H ILE A 20 -6.404 3.474 -0.965 1.00 0.60 H new ATOM 0 HA ILE A 20 -4.518 1.489 -0.771 1.00 0.61 H new ATOM 0 HB ILE A 20 -6.368 0.554 0.981 1.00 0.65 H new ATOM 0 HG12 ILE A 20 -7.081 3.471 0.561 1.00 0.93 H new ATOM 0 HG13 ILE A 20 -8.116 2.094 0.240 1.00 0.93 H new ATOM 0 HG21 ILE A 20 -5.330 2.024 2.671 1.00 1.21 H new ATOM 0 HG22 ILE A 20 -4.131 1.312 1.565 1.00 1.21 H new ATOM 0 HG23 ILE A 20 -4.628 3.009 1.364 1.00 1.21 H new ATOM 0 HD11 ILE A 20 -8.707 3.157 2.368 1.00 0.90 H new ATOM 0 HD12 ILE A 20 -8.102 1.506 2.643 1.00 0.90 H new ATOM 0 HD13 ILE A 20 -7.051 2.904 2.969 1.00 0.90 H new ATOM 132 N GLN A 21 -7.448 0.416 -1.883 1.00 0.49 N ATOM 133 CA GLN A 21 -8.117 -0.703 -2.520 1.00 0.50 C ATOM 134 C GLN A 21 -7.424 -1.030 -3.834 1.00 0.50 C ATOM 135 O GLN A 21 -7.096 -2.185 -4.097 1.00 0.57 O ATOM 136 CB GLN A 21 -9.594 -0.390 -2.747 1.00 0.56 C ATOM 137 CG GLN A 21 -10.526 -1.579 -2.532 1.00 0.93 C ATOM 138 CD GLN A 21 -10.643 -2.007 -1.069 1.00 1.00 C ATOM 139 OE1 GLN A 21 -9.553 -1.929 -0.314 1.00 1.72 O flip ATOM 140 NE2 GLN A 21 -11.706 -2.447 -0.628 1.00 0.82 N flip ATOM 0 H GLN A 21 -8.006 1.267 -1.820 1.00 0.49 H new ATOM 0 HA GLN A 21 -8.059 -1.572 -1.865 1.00 0.50 H new ATOM 0 HB2 GLN A 21 -9.890 0.416 -2.075 1.00 0.56 H new ATOM 0 HB3 GLN A 21 -9.723 -0.021 -3.764 1.00 0.56 H new ATOM 0 HG2 GLN A 21 -11.517 -1.326 -2.908 1.00 0.93 H new ATOM 0 HG3 GLN A 21 -10.167 -2.423 -3.121 1.00 0.93 H new ATOM 0 HE21 GLN A 21 -12.527 -2.495 -1.231 1.00 0.82 H new ATOM 0 HE22 GLN A 21 -11.765 -2.763 0.340 1.00 0.82 H new ATOM 149 N LEU A 22 -7.161 0.001 -4.631 1.00 0.51 N ATOM 150 CA LEU A 22 -6.468 -0.172 -5.894 1.00 0.54 C ATOM 151 C LEU A 22 -5.102 -0.830 -5.689 1.00 0.50 C ATOM 152 O LEU A 22 -4.772 -1.814 -6.355 1.00 0.49 O ATOM 153 CB LEU A 22 -6.324 1.189 -6.598 1.00 0.65 C ATOM 154 CG LEU A 22 -5.522 1.219 -7.918 1.00 1.06 C ATOM 155 CD1 LEU A 22 -4.025 1.328 -7.659 1.00 0.75 C ATOM 156 CD2 LEU A 22 -5.822 -0.009 -8.771 1.00 1.93 C ATOM 0 H LEU A 22 -7.420 0.965 -4.420 1.00 0.51 H new ATOM 0 HA LEU A 22 -7.057 -0.836 -6.527 1.00 0.54 H new ATOM 0 HB2 LEU A 22 -7.324 1.572 -6.801 1.00 0.65 H new ATOM 0 HB3 LEU A 22 -5.853 1.882 -5.901 1.00 0.65 H new ATOM 0 HG LEU A 22 -5.837 2.107 -8.466 1.00 1.06 H new ATOM 0 HD11 LEU A 22 -3.492 1.347 -8.609 1.00 0.75 H new ATOM 0 HD12 LEU A 22 -3.817 2.245 -7.108 1.00 0.75 H new ATOM 0 HD13 LEU A 22 -3.694 0.470 -7.074 1.00 0.75 H new ATOM 0 HD21 LEU A 22 -5.244 0.039 -9.694 1.00 1.93 H new ATOM 0 HD22 LEU A 22 -5.552 -0.910 -8.220 1.00 1.93 H new ATOM 0 HD23 LEU A 22 -6.885 -0.035 -9.010 1.00 1.93 H new ATOM 168 N LEU A 23 -4.322 -0.303 -4.751 1.00 0.51 N ATOM 169 CA LEU A 23 -2.970 -0.770 -4.535 1.00 0.51 C ATOM 170 C LEU A 23 -2.918 -2.257 -4.207 1.00 0.46 C ATOM 171 O LEU A 23 -2.012 -2.948 -4.665 1.00 0.48 O ATOM 172 CB LEU A 23 -2.293 0.037 -3.426 1.00 0.61 C ATOM 173 CG LEU A 23 -1.464 1.227 -3.911 1.00 0.73 C ATOM 174 CD1 LEU A 23 -2.338 2.346 -4.450 1.00 1.47 C ATOM 175 CD2 LEU A 23 -0.565 1.738 -2.798 1.00 1.03 C ATOM 0 H LEU A 23 -4.611 0.452 -4.129 1.00 0.51 H new ATOM 0 HA LEU A 23 -2.429 -0.622 -5.470 1.00 0.51 H new ATOM 0 HB2 LEU A 23 -3.059 0.401 -2.742 1.00 0.61 H new ATOM 0 HB3 LEU A 23 -1.646 -0.629 -2.855 1.00 0.61 H new ATOM 0 HG LEU A 23 -0.841 0.877 -4.734 1.00 0.73 H new ATOM 0 HD11 LEU A 23 -1.708 3.171 -4.783 1.00 1.47 H new ATOM 0 HD12 LEU A 23 -2.926 1.976 -5.290 1.00 1.47 H new ATOM 0 HD13 LEU A 23 -3.008 2.695 -3.664 1.00 1.47 H new ATOM 0 HD21 LEU A 23 0.018 2.585 -3.161 1.00 1.03 H new ATOM 0 HD22 LEU A 23 -1.176 2.054 -1.953 1.00 1.03 H new ATOM 0 HD23 LEU A 23 0.110 0.943 -2.481 1.00 1.03 H new ATOM 187 N LYS A 24 -3.852 -2.756 -3.403 1.00 0.45 N ATOM 188 CA LYS A 24 -3.872 -4.185 -3.118 1.00 0.46 C ATOM 189 C LYS A 24 -4.308 -4.992 -4.342 1.00 0.44 C ATOM 190 O LYS A 24 -3.801 -6.089 -4.579 1.00 0.49 O ATOM 191 CB LYS A 24 -4.722 -4.532 -1.891 1.00 0.51 C ATOM 192 CG LYS A 24 -6.225 -4.375 -2.069 1.00 0.53 C ATOM 193 CD LYS A 24 -6.962 -5.601 -1.546 1.00 1.12 C ATOM 194 CE LYS A 24 -6.638 -6.836 -2.371 1.00 1.24 C ATOM 195 NZ LYS A 24 -6.897 -8.103 -1.634 1.00 1.92 N ATOM 0 H LYS A 24 -4.585 -2.210 -2.949 1.00 0.45 H new ATOM 0 HA LYS A 24 -2.847 -4.466 -2.876 1.00 0.46 H new ATOM 0 HB2 LYS A 24 -4.513 -5.563 -1.606 1.00 0.51 H new ATOM 0 HB3 LYS A 24 -4.404 -3.901 -1.061 1.00 0.51 H new ATOM 0 HG2 LYS A 24 -6.568 -3.486 -1.540 1.00 0.53 H new ATOM 0 HG3 LYS A 24 -6.458 -4.228 -3.124 1.00 0.53 H new ATOM 0 HD2 LYS A 24 -6.689 -5.775 -0.505 1.00 1.12 H new ATOM 0 HD3 LYS A 24 -8.036 -5.418 -1.568 1.00 1.12 H new ATOM 0 HE2 LYS A 24 -7.232 -6.824 -3.285 1.00 1.24 H new ATOM 0 HE3 LYS A 24 -5.591 -6.803 -2.672 1.00 1.24 H new ATOM 0 HZ1 LYS A 24 -5.994 -8.511 -1.318 1.00 1.92 H new ATOM 0 HZ2 LYS A 24 -7.497 -7.907 -0.807 1.00 1.92 H new ATOM 0 HZ3 LYS A 24 -7.381 -8.777 -2.261 1.00 1.92 H new ATOM 209 N SER A 25 -5.236 -4.448 -5.122 1.00 0.43 N ATOM 210 CA SER A 25 -5.728 -5.137 -6.308 1.00 0.50 C ATOM 211 C SER A 25 -4.607 -5.350 -7.321 1.00 0.52 C ATOM 212 O SER A 25 -4.465 -6.438 -7.883 1.00 0.74 O ATOM 213 CB SER A 25 -6.864 -4.338 -6.945 1.00 0.55 C ATOM 214 OG SER A 25 -7.919 -4.141 -6.023 1.00 1.00 O ATOM 0 H SER A 25 -5.661 -3.536 -4.955 1.00 0.43 H new ATOM 0 HA SER A 25 -6.103 -6.114 -6.003 1.00 0.50 H new ATOM 0 HB2 SER A 25 -6.489 -3.373 -7.287 1.00 0.55 H new ATOM 0 HB3 SER A 25 -7.237 -4.864 -7.824 1.00 0.55 H new ATOM 0 HG SER A 25 -7.651 -3.475 -5.356 1.00 1.00 H new ATOM 220 N ASN A 26 -3.794 -4.324 -7.535 1.00 0.41 N ATOM 221 CA ASN A 26 -2.661 -4.445 -8.444 1.00 0.47 C ATOM 222 C ASN A 26 -1.358 -4.532 -7.655 1.00 0.45 C ATOM 223 O ASN A 26 -0.321 -3.998 -8.058 1.00 0.46 O ATOM 224 CB ASN A 26 -2.629 -3.298 -9.477 1.00 0.55 C ATOM 225 CG ASN A 26 -2.123 -1.953 -8.961 1.00 0.65 C ATOM 226 OD1 ASN A 26 -2.380 -1.632 -7.703 1.00 1.50 O flip ATOM 227 ND2 ASN A 26 -1.510 -1.196 -9.711 1.00 0.74 N flip ATOM 0 H ASN A 26 -3.895 -3.408 -7.097 1.00 0.41 H new ATOM 0 HA ASN A 26 -2.778 -5.369 -9.011 1.00 0.47 H new ATOM 0 HB2 ASN A 26 -2.001 -3.605 -10.313 1.00 0.55 H new ATOM 0 HB3 ASN A 26 -3.636 -3.160 -9.869 1.00 0.55 H new ATOM 0 HD21 ASN A 26 -1.327 -1.472 -10.676 1.00 0.74 H new ATOM 0 HD22 ASN A 26 -1.184 -0.292 -9.368 1.00 0.74 H new ATOM 234 N ARG A 27 -1.427 -5.235 -6.528 1.00 0.46 N ATOM 235 CA ARG A 27 -0.272 -5.432 -5.661 1.00 0.50 C ATOM 236 C ARG A 27 0.889 -6.040 -6.418 1.00 0.48 C ATOM 237 O ARG A 27 2.000 -5.537 -6.339 1.00 0.54 O ATOM 238 CB ARG A 27 -0.619 -6.334 -4.479 1.00 0.57 C ATOM 239 CG ARG A 27 -0.948 -5.588 -3.196 1.00 1.30 C ATOM 240 CD ARG A 27 0.252 -4.826 -2.651 1.00 2.15 C ATOM 241 NE ARG A 27 0.315 -3.452 -3.146 1.00 3.26 N ATOM 242 CZ ARG A 27 1.207 -2.551 -2.727 1.00 4.21 C ATOM 243 NH1 ARG A 27 2.191 -2.913 -1.913 1.00 4.46 N ATOM 244 NH2 ARG A 27 1.134 -1.297 -3.149 1.00 5.24 N ATOM 0 H ARG A 27 -2.281 -5.681 -6.192 1.00 0.46 H new ATOM 0 HA ARG A 27 0.018 -4.448 -5.293 1.00 0.50 H new ATOM 0 HB2 ARG A 27 -1.471 -6.958 -4.751 1.00 0.57 H new ATOM 0 HB3 ARG A 27 0.220 -7.004 -4.290 1.00 0.57 H new ATOM 0 HG2 ARG A 27 -1.765 -4.891 -3.382 1.00 1.30 H new ATOM 0 HG3 ARG A 27 -1.298 -6.296 -2.445 1.00 1.30 H new ATOM 0 HD2 ARG A 27 0.207 -4.815 -1.562 1.00 2.15 H new ATOM 0 HD3 ARG A 27 1.167 -5.350 -2.927 1.00 2.15 H new ATOM 0 HE ARG A 27 -0.362 -3.165 -3.853 1.00 3.26 H new ATOM 0 HH11 ARG A 27 2.268 -3.882 -1.605 1.00 4.46 H new ATOM 0 HH12 ARG A 27 2.870 -2.222 -1.595 1.00 4.46 H new ATOM 0 HH21 ARG A 27 0.395 -1.018 -3.795 1.00 5.24 H new ATOM 0 HH22 ARG A 27 1.816 -0.610 -2.828 1.00 5.24 H new ATOM 258 N GLU A 28 0.618 -7.103 -7.170 1.00 0.51 N ATOM 259 CA GLU A 28 1.670 -7.835 -7.867 1.00 0.59 C ATOM 260 C GLU A 28 2.438 -6.922 -8.810 1.00 0.55 C ATOM 261 O GLU A 28 3.655 -7.047 -8.957 1.00 0.60 O ATOM 262 CB GLU A 28 1.080 -9.004 -8.651 1.00 0.74 C ATOM 263 CG GLU A 28 0.424 -10.059 -7.780 1.00 1.08 C ATOM 264 CD GLU A 28 -0.107 -11.218 -8.593 1.00 1.55 C ATOM 265 OE1 GLU A 28 0.669 -12.151 -8.880 1.00 2.17 O ATOM 266 OE2 GLU A 28 -1.306 -11.207 -8.938 1.00 1.93 O ATOM 0 H GLU A 28 -0.321 -7.476 -7.312 1.00 0.51 H new ATOM 0 HA GLU A 28 2.360 -8.220 -7.116 1.00 0.59 H new ATOM 0 HB2 GLU A 28 0.344 -8.620 -9.357 1.00 0.74 H new ATOM 0 HB3 GLU A 28 1.871 -9.471 -9.238 1.00 0.74 H new ATOM 0 HG2 GLU A 28 1.147 -10.428 -7.052 1.00 1.08 H new ATOM 0 HG3 GLU A 28 -0.393 -9.607 -7.217 1.00 1.08 H new ATOM 273 N LEU A 29 1.729 -5.990 -9.428 1.00 0.51 N ATOM 274 CA LEU A 29 2.353 -5.028 -10.318 1.00 0.52 C ATOM 275 C LEU A 29 3.350 -4.175 -9.541 1.00 0.49 C ATOM 276 O LEU A 29 4.498 -4.012 -9.948 1.00 0.50 O ATOM 277 CB LEU A 29 1.290 -4.142 -10.970 1.00 0.54 C ATOM 278 CG LEU A 29 1.819 -3.122 -11.980 1.00 0.62 C ATOM 279 CD1 LEU A 29 2.480 -3.825 -13.155 1.00 1.13 C ATOM 280 CD2 LEU A 29 0.698 -2.213 -12.462 1.00 0.57 C ATOM 0 H LEU A 29 0.720 -5.881 -9.328 1.00 0.51 H new ATOM 0 HA LEU A 29 2.884 -5.565 -11.104 1.00 0.52 H new ATOM 0 HB2 LEU A 29 0.564 -4.783 -11.471 1.00 0.54 H new ATOM 0 HB3 LEU A 29 0.755 -3.608 -10.185 1.00 0.54 H new ATOM 0 HG LEU A 29 2.569 -2.507 -11.483 1.00 0.62 H new ATOM 0 HD11 LEU A 29 2.850 -3.082 -13.862 1.00 1.13 H new ATOM 0 HD12 LEU A 29 3.313 -4.430 -12.796 1.00 1.13 H new ATOM 0 HD13 LEU A 29 1.752 -4.467 -13.651 1.00 1.13 H new ATOM 0 HD21 LEU A 29 1.095 -1.495 -13.179 1.00 0.57 H new ATOM 0 HD22 LEU A 29 -0.077 -2.813 -12.940 1.00 0.57 H new ATOM 0 HD23 LEU A 29 0.272 -1.679 -11.613 1.00 0.57 H new ATOM 292 N LEU A 30 2.902 -3.641 -8.415 1.00 0.50 N ATOM 293 CA LEU A 30 3.747 -2.799 -7.575 1.00 0.54 C ATOM 294 C LEU A 30 4.854 -3.604 -6.893 1.00 0.48 C ATOM 295 O LEU A 30 5.942 -3.079 -6.649 1.00 0.50 O ATOM 296 CB LEU A 30 2.906 -2.038 -6.545 1.00 0.68 C ATOM 297 CG LEU A 30 2.235 -0.755 -7.064 1.00 0.84 C ATOM 298 CD1 LEU A 30 1.349 -1.032 -8.266 1.00 0.91 C ATOM 299 CD2 LEU A 30 1.425 -0.105 -5.960 1.00 1.04 C ATOM 0 H LEU A 30 1.956 -3.775 -8.059 1.00 0.50 H new ATOM 0 HA LEU A 30 4.232 -2.071 -8.226 1.00 0.54 H new ATOM 0 HB2 LEU A 30 2.132 -2.706 -6.167 1.00 0.68 H new ATOM 0 HB3 LEU A 30 3.544 -1.779 -5.700 1.00 0.68 H new ATOM 0 HG LEU A 30 3.025 -0.074 -7.382 1.00 0.84 H new ATOM 0 HD11 LEU A 30 0.893 -0.102 -8.604 1.00 0.91 H new ATOM 0 HD12 LEU A 30 1.950 -1.455 -9.071 1.00 0.91 H new ATOM 0 HD13 LEU A 30 0.568 -1.739 -7.987 1.00 0.91 H new ATOM 0 HD21 LEU A 30 0.955 0.802 -6.340 1.00 1.04 H new ATOM 0 HD22 LEU A 30 0.655 -0.797 -5.618 1.00 1.04 H new ATOM 0 HD23 LEU A 30 2.082 0.148 -5.127 1.00 1.04 H new ATOM 311 N VAL A 31 4.576 -4.872 -6.585 1.00 0.45 N ATOM 312 CA VAL A 31 5.575 -5.743 -5.973 1.00 0.45 C ATOM 313 C VAL A 31 6.762 -5.930 -6.914 1.00 0.46 C ATOM 314 O VAL A 31 7.916 -5.735 -6.526 1.00 0.54 O ATOM 315 CB VAL A 31 4.997 -7.133 -5.612 1.00 0.45 C ATOM 316 CG1 VAL A 31 6.091 -8.062 -5.104 1.00 1.20 C ATOM 317 CG2 VAL A 31 3.903 -7.007 -4.568 1.00 1.29 C ATOM 0 H VAL A 31 3.672 -5.315 -6.749 1.00 0.45 H new ATOM 0 HA VAL A 31 5.896 -5.257 -5.052 1.00 0.45 H new ATOM 0 HB VAL A 31 4.570 -7.560 -6.520 1.00 0.45 H new ATOM 0 HG11 VAL A 31 5.659 -9.032 -4.857 1.00 1.20 H new ATOM 0 HG12 VAL A 31 6.849 -8.188 -5.877 1.00 1.20 H new ATOM 0 HG13 VAL A 31 6.549 -7.632 -4.213 1.00 1.20 H new ATOM 0 HG21 VAL A 31 3.512 -7.996 -4.330 1.00 1.29 H new ATOM 0 HG22 VAL A 31 4.312 -6.552 -3.666 1.00 1.29 H new ATOM 0 HG23 VAL A 31 3.099 -6.383 -4.957 1.00 1.29 H new ATOM 327 N THR A 32 6.465 -6.286 -8.156 1.00 0.45 N ATOM 328 CA THR A 32 7.499 -6.510 -9.149 1.00 0.51 C ATOM 329 C THR A 32 8.159 -5.194 -9.576 1.00 0.49 C ATOM 330 O THR A 32 9.330 -5.186 -9.953 1.00 0.55 O ATOM 331 CB THR A 32 6.957 -7.276 -10.381 1.00 0.58 C ATOM 332 OG1 THR A 32 8.048 -7.743 -11.185 1.00 0.71 O ATOM 333 CG2 THR A 32 6.037 -6.408 -11.228 1.00 0.59 C ATOM 0 H THR A 32 5.514 -6.425 -8.498 1.00 0.45 H new ATOM 0 HA THR A 32 8.260 -7.134 -8.680 1.00 0.51 H new ATOM 0 HB THR A 32 6.377 -8.122 -10.013 1.00 0.58 H new ATOM 0 HG1 THR A 32 7.698 -8.228 -11.961 1.00 0.71 H new ATOM 0 HG21 THR A 32 5.679 -6.983 -12.082 1.00 0.59 H new ATOM 0 HG22 THR A 32 5.188 -6.084 -10.627 1.00 0.59 H new ATOM 0 HG23 THR A 32 6.585 -5.535 -11.583 1.00 0.59 H new ATOM 341 N HIS A 33 7.396 -4.092 -9.508 1.00 0.43 N ATOM 342 CA HIS A 33 7.859 -2.772 -9.959 1.00 0.45 C ATOM 343 C HIS A 33 9.296 -2.485 -9.546 1.00 0.51 C ATOM 344 O HIS A 33 10.177 -2.373 -10.401 1.00 0.68 O ATOM 345 CB HIS A 33 6.933 -1.662 -9.440 1.00 0.47 C ATOM 346 CG HIS A 33 5.865 -1.279 -10.430 1.00 0.52 C ATOM 347 ND1 HIS A 33 4.553 -0.986 -10.257 1.00 1.27 N flip ATOM 348 CD2 HIS A 33 6.103 -1.150 -11.781 1.00 1.18 C flip ATOM 349 CE1 HIS A 33 4.033 -0.691 -11.495 1.00 1.03 C flip ATOM 350 NE2 HIS A 33 4.990 -0.797 -12.394 1.00 0.85 N flip ATOM 0 H HIS A 33 6.445 -4.091 -9.140 1.00 0.43 H new ATOM 0 HA HIS A 33 7.828 -2.788 -11.048 1.00 0.45 H new ATOM 0 HB2 HIS A 33 6.462 -1.992 -8.514 1.00 0.47 H new ATOM 0 HB3 HIS A 33 7.529 -0.782 -9.198 1.00 0.47 H new ATOM 0 HD2 HIS A 33 7.055 -1.313 -12.264 1.00 1.18 H new ATOM 0 HE1 HIS A 33 3.008 -0.417 -11.697 1.00 1.03 H new ATOM 0 HE2 HIS A 33 4.887 -0.634 -13.396 1.00 0.85 H new ATOM 359 N ILE A 34 9.538 -2.379 -8.248 1.00 0.51 N ATOM 360 CA ILE A 34 10.880 -2.111 -7.754 1.00 0.62 C ATOM 361 C ILE A 34 11.179 -2.933 -6.507 1.00 0.55 C ATOM 362 O ILE A 34 12.025 -3.824 -6.538 1.00 0.63 O ATOM 363 CB ILE A 34 11.104 -0.604 -7.460 1.00 0.85 C ATOM 364 CG1 ILE A 34 11.174 0.191 -8.768 1.00 1.71 C ATOM 365 CG2 ILE A 34 12.372 -0.381 -6.645 1.00 1.51 C ATOM 366 CD1 ILE A 34 12.358 -0.166 -9.640 1.00 2.62 C ATOM 0 H ILE A 34 8.828 -2.474 -7.522 1.00 0.51 H new ATOM 0 HA ILE A 34 11.569 -2.404 -8.546 1.00 0.62 H new ATOM 0 HB ILE A 34 10.257 -0.250 -6.873 1.00 0.85 H new ATOM 0 HG12 ILE A 34 10.256 0.025 -9.332 1.00 1.71 H new ATOM 0 HG13 ILE A 34 11.216 1.255 -8.533 1.00 1.71 H new ATOM 0 HG21 ILE A 34 12.500 0.685 -6.456 1.00 1.51 H new ATOM 0 HG22 ILE A 34 12.292 -0.911 -5.696 1.00 1.51 H new ATOM 0 HG23 ILE A 34 13.232 -0.757 -7.199 1.00 1.51 H new ATOM 0 HD11 ILE A 34 12.338 0.439 -10.547 1.00 2.62 H new ATOM 0 HD12 ILE A 34 13.282 0.027 -9.096 1.00 2.62 H new ATOM 0 HD13 ILE A 34 12.308 -1.222 -9.907 1.00 2.62 H new ATOM 378 N ARG A 35 10.482 -2.649 -5.413 1.00 0.67 N ATOM 379 CA ARG A 35 10.785 -3.323 -4.152 1.00 0.80 C ATOM 380 C ARG A 35 9.529 -3.746 -3.408 1.00 0.71 C ATOM 381 O ARG A 35 9.501 -4.821 -2.815 1.00 0.79 O ATOM 382 CB ARG A 35 11.653 -2.434 -3.247 1.00 1.03 C ATOM 383 CG ARG A 35 13.104 -2.291 -3.701 1.00 1.54 C ATOM 384 CD ARG A 35 13.896 -3.583 -3.526 1.00 1.54 C ATOM 385 NE ARG A 35 13.398 -4.668 -4.372 1.00 1.79 N ATOM 386 CZ ARG A 35 13.477 -5.959 -4.055 1.00 2.43 C ATOM 387 NH1 ARG A 35 14.091 -6.334 -2.939 1.00 2.85 N ATOM 388 NH2 ARG A 35 12.953 -6.873 -4.863 1.00 3.25 N ATOM 0 H ARG A 35 9.720 -1.973 -5.370 1.00 0.67 H new ATOM 0 HA ARG A 35 11.341 -4.225 -4.407 1.00 0.80 H new ATOM 0 HB2 ARG A 35 11.203 -1.443 -3.194 1.00 1.03 H new ATOM 0 HB3 ARG A 35 11.641 -2.844 -2.237 1.00 1.03 H new ATOM 0 HG2 ARG A 35 13.127 -1.993 -4.749 1.00 1.54 H new ATOM 0 HG3 ARG A 35 13.583 -1.494 -3.133 1.00 1.54 H new ATOM 0 HD2 ARG A 35 14.944 -3.397 -3.760 1.00 1.54 H new ATOM 0 HD3 ARG A 35 13.853 -3.893 -2.482 1.00 1.54 H new ATOM 0 HE ARG A 35 12.963 -4.420 -5.261 1.00 1.79 H new ATOM 0 HH11 ARG A 35 14.503 -5.633 -2.323 1.00 2.85 H new ATOM 0 HH12 ARG A 35 14.151 -7.323 -2.697 1.00 2.85 H new ATOM 0 HH21 ARG A 35 12.490 -6.586 -5.726 1.00 3.25 H new ATOM 0 HH22 ARG A 35 13.013 -7.862 -4.621 1.00 3.25 H new ATOM 402 N ASN A 36 8.507 -2.886 -3.429 1.00 0.62 N ATOM 403 CA ASN A 36 7.235 -3.140 -2.735 1.00 0.60 C ATOM 404 C ASN A 36 7.385 -3.029 -1.212 1.00 0.64 C ATOM 405 O ASN A 36 6.585 -2.369 -0.549 1.00 1.01 O ATOM 406 CB ASN A 36 6.659 -4.516 -3.107 1.00 0.69 C ATOM 407 CG ASN A 36 5.591 -4.996 -2.133 1.00 0.79 C ATOM 408 OD1 ASN A 36 4.421 -4.628 -2.237 1.00 1.26 O ATOM 409 ND2 ASN A 36 5.984 -5.843 -1.194 1.00 1.53 N ATOM 0 H ASN A 36 8.535 -1.995 -3.925 1.00 0.62 H new ATOM 0 HA ASN A 36 6.538 -2.370 -3.066 1.00 0.60 H new ATOM 0 HB2 ASN A 36 6.233 -4.467 -4.109 1.00 0.69 H new ATOM 0 HB3 ASN A 36 7.468 -5.246 -3.140 1.00 0.69 H new ATOM 0 HD21 ASN A 36 5.308 -6.213 -0.526 1.00 1.53 H new ATOM 0 HD22 ASN A 36 6.963 -6.125 -1.139 1.00 1.53 H new ATOM 416 N THR A 37 8.432 -3.658 -0.677 1.00 0.61 N ATOM 417 CA THR A 37 8.667 -3.756 0.764 1.00 0.65 C ATOM 418 C THR A 37 8.792 -2.390 1.440 1.00 0.54 C ATOM 419 O THR A 37 8.642 -2.274 2.655 1.00 0.46 O ATOM 420 CB THR A 37 9.946 -4.564 1.041 1.00 0.79 C ATOM 421 OG1 THR A 37 11.044 -3.995 0.314 1.00 1.15 O ATOM 422 CG2 THR A 37 9.767 -6.022 0.643 1.00 1.47 C ATOM 0 H THR A 37 9.148 -4.119 -1.238 1.00 0.61 H new ATOM 0 HA THR A 37 7.796 -4.259 1.184 1.00 0.65 H new ATOM 0 HB THR A 37 10.153 -4.523 2.110 1.00 0.79 H new ATOM 0 HG1 THR A 37 11.858 -4.511 0.494 1.00 1.15 H new ATOM 0 HG21 THR A 37 10.686 -6.571 0.849 1.00 1.47 H new ATOM 0 HG22 THR A 37 8.948 -6.457 1.215 1.00 1.47 H new ATOM 0 HG23 THR A 37 9.539 -6.083 -0.421 1.00 1.47 H new ATOM 430 N GLN A 38 9.058 -1.356 0.656 1.00 0.58 N ATOM 431 CA GLN A 38 9.160 -0.008 1.195 1.00 0.56 C ATOM 432 C GLN A 38 7.852 0.384 1.875 1.00 0.50 C ATOM 433 O GLN A 38 7.846 1.150 2.826 1.00 0.47 O ATOM 434 CB GLN A 38 9.512 0.989 0.093 1.00 0.68 C ATOM 435 CG GLN A 38 10.798 0.653 -0.647 1.00 0.95 C ATOM 436 CD GLN A 38 11.982 0.467 0.286 1.00 1.16 C ATOM 437 OE1 GLN A 38 12.681 1.421 0.622 1.00 1.88 O ATOM 438 NE2 GLN A 38 12.222 -0.764 0.703 1.00 1.52 N ATOM 0 H GLN A 38 9.207 -1.424 -0.351 1.00 0.58 H new ATOM 0 HA GLN A 38 9.959 0.011 1.936 1.00 0.56 H new ATOM 0 HB2 GLN A 38 8.691 1.030 -0.623 1.00 0.68 H new ATOM 0 HB3 GLN A 38 9.604 1.983 0.530 1.00 0.68 H new ATOM 0 HG2 GLN A 38 10.651 -0.259 -1.226 1.00 0.95 H new ATOM 0 HG3 GLN A 38 11.022 1.449 -1.357 1.00 0.95 H new ATOM 0 HE21 GLN A 38 11.620 -1.531 0.403 1.00 1.52 H new ATOM 0 HE22 GLN A 38 13.009 -0.947 1.325 1.00 1.52 H new ATOM 447 N CYS A 39 6.759 -0.192 1.389 1.00 0.53 N ATOM 448 CA CYS A 39 5.433 0.050 1.940 1.00 0.55 C ATOM 449 C CYS A 39 5.345 -0.355 3.416 1.00 0.46 C ATOM 450 O CYS A 39 4.849 0.389 4.253 1.00 0.47 O ATOM 451 CB CYS A 39 4.410 -0.744 1.113 1.00 0.66 C ATOM 452 SG CYS A 39 2.787 -0.941 1.880 1.00 1.48 S ATOM 0 H CYS A 39 6.768 -0.840 0.601 1.00 0.53 H new ATOM 0 HA CYS A 39 5.222 1.118 1.888 1.00 0.55 H new ATOM 0 HB2 CYS A 39 4.282 -0.248 0.151 1.00 0.66 H new ATOM 0 HB3 CYS A 39 4.820 -1.733 0.910 1.00 0.66 H new ATOM 0 HG CYS A 39 1.877 -0.425 1.109 1.00 1.48 H new ATOM 458 N LEU A 40 5.832 -1.532 3.738 1.00 0.40 N ATOM 459 CA LEU A 40 5.698 -2.042 5.086 1.00 0.37 C ATOM 460 C LEU A 40 6.597 -1.320 6.081 1.00 0.28 C ATOM 461 O LEU A 40 6.225 -1.161 7.241 1.00 0.30 O ATOM 462 CB LEU A 40 5.887 -3.554 5.128 1.00 0.40 C ATOM 463 CG LEU A 40 7.017 -4.116 4.263 1.00 0.39 C ATOM 464 CD1 LEU A 40 8.322 -4.150 5.046 1.00 0.45 C ATOM 465 CD2 LEU A 40 6.660 -5.506 3.756 1.00 0.48 C ATOM 0 H LEU A 40 6.321 -2.151 3.091 1.00 0.40 H new ATOM 0 HA LEU A 40 4.676 -1.832 5.403 1.00 0.37 H new ATOM 0 HB2 LEU A 40 6.068 -3.848 6.162 1.00 0.40 H new ATOM 0 HB3 LEU A 40 4.953 -4.025 4.821 1.00 0.40 H new ATOM 0 HG LEU A 40 7.151 -3.461 3.402 1.00 0.39 H new ATOM 0 HD11 LEU A 40 9.114 -4.553 4.415 1.00 0.45 H new ATOM 0 HD12 LEU A 40 8.585 -3.140 5.359 1.00 0.45 H new ATOM 0 HD13 LEU A 40 8.202 -4.782 5.926 1.00 0.45 H new ATOM 0 HD21 LEU A 40 7.475 -5.890 3.143 1.00 0.48 H new ATOM 0 HD22 LEU A 40 6.499 -6.172 4.604 1.00 0.48 H new ATOM 0 HD23 LEU A 40 5.750 -5.453 3.158 1.00 0.48 H new ATOM 477 N VAL A 41 7.786 -0.913 5.648 1.00 0.24 N ATOM 478 CA VAL A 41 8.722 -0.252 6.554 1.00 0.23 C ATOM 479 C VAL A 41 8.212 1.110 7.032 1.00 0.24 C ATOM 480 O VAL A 41 8.359 1.443 8.211 1.00 0.26 O ATOM 481 CB VAL A 41 10.134 -0.109 5.955 1.00 0.28 C ATOM 482 CG1 VAL A 41 10.844 -1.451 5.948 1.00 0.31 C ATOM 483 CG2 VAL A 41 10.079 0.453 4.552 1.00 0.33 C ATOM 0 H VAL A 41 8.122 -1.026 4.691 1.00 0.24 H new ATOM 0 HA VAL A 41 8.793 -0.910 7.420 1.00 0.23 H new ATOM 0 HB VAL A 41 10.693 0.587 6.580 1.00 0.28 H new ATOM 0 HG11 VAL A 41 11.840 -1.333 5.522 1.00 0.31 H new ATOM 0 HG12 VAL A 41 10.928 -1.824 6.969 1.00 0.31 H new ATOM 0 HG13 VAL A 41 10.274 -2.161 5.348 1.00 0.31 H new ATOM 0 HG21 VAL A 41 11.091 0.542 4.156 1.00 0.33 H new ATOM 0 HG22 VAL A 41 9.498 -0.214 3.915 1.00 0.33 H new ATOM 0 HG23 VAL A 41 9.609 1.436 4.572 1.00 0.33 H new ATOM 493 N ASP A 42 7.617 1.899 6.140 1.00 0.27 N ATOM 494 CA ASP A 42 7.001 3.165 6.554 1.00 0.32 C ATOM 495 C ASP A 42 5.807 2.904 7.466 1.00 0.30 C ATOM 496 O ASP A 42 5.515 3.691 8.370 1.00 0.31 O ATOM 497 CB ASP A 42 6.589 4.023 5.347 1.00 0.42 C ATOM 498 CG ASP A 42 5.637 3.320 4.404 1.00 1.48 C ATOM 499 OD1 ASP A 42 4.497 3.043 4.817 1.00 1.82 O ATOM 500 OD2 ASP A 42 6.034 3.026 3.262 1.00 2.23 O ATOM 0 H ASP A 42 7.547 1.693 5.143 1.00 0.27 H new ATOM 0 HA ASP A 42 7.750 3.729 7.110 1.00 0.32 H new ATOM 0 HB2 ASP A 42 6.122 4.940 5.706 1.00 0.42 H new ATOM 0 HB3 ASP A 42 7.483 4.315 4.797 1.00 0.42 H new ATOM 505 N ASN A 43 5.143 1.777 7.254 1.00 0.31 N ATOM 506 CA ASN A 43 4.018 1.392 8.083 1.00 0.34 C ATOM 507 C ASN A 43 4.509 0.945 9.454 1.00 0.30 C ATOM 508 O ASN A 43 3.887 1.230 10.478 1.00 0.33 O ATOM 509 CB ASN A 43 3.214 0.268 7.409 1.00 0.42 C ATOM 510 CG ASN A 43 2.800 -0.819 8.382 1.00 0.73 C ATOM 511 OD1 ASN A 43 1.750 -0.745 9.022 1.00 0.98 O ATOM 512 ND2 ASN A 43 3.635 -1.841 8.498 1.00 1.10 N ATOM 0 H ASN A 43 5.367 1.114 6.512 1.00 0.31 H new ATOM 0 HA ASN A 43 3.364 2.255 8.208 1.00 0.34 H new ATOM 0 HB2 ASN A 43 2.324 0.692 6.944 1.00 0.42 H new ATOM 0 HB3 ASN A 43 3.812 -0.173 6.611 1.00 0.42 H new ATOM 0 HD21 ASN A 43 3.419 -2.606 9.136 1.00 1.10 H new ATOM 0 HD22 ASN A 43 4.494 -1.862 7.949 1.00 1.10 H new ATOM 519 N LEU A 44 5.643 0.260 9.471 1.00 0.28 N ATOM 520 CA LEU A 44 6.150 -0.323 10.700 1.00 0.31 C ATOM 521 C LEU A 44 6.747 0.754 11.579 1.00 0.34 C ATOM 522 O LEU A 44 6.688 0.676 12.803 1.00 0.48 O ATOM 523 CB LEU A 44 7.142 -1.463 10.417 1.00 0.34 C ATOM 524 CG LEU A 44 8.526 -1.105 9.852 1.00 0.81 C ATOM 525 CD1 LEU A 44 9.473 -0.632 10.942 1.00 0.61 C ATOM 526 CD2 LEU A 44 9.125 -2.308 9.157 1.00 1.93 C ATOM 0 H LEU A 44 6.226 0.096 8.650 1.00 0.28 H new ATOM 0 HA LEU A 44 5.317 -0.771 11.242 1.00 0.31 H new ATOM 0 HB2 LEU A 44 7.295 -2.009 11.348 1.00 0.34 H new ATOM 0 HB3 LEU A 44 6.666 -2.151 9.718 1.00 0.34 H new ATOM 0 HG LEU A 44 8.391 -0.290 9.141 1.00 0.81 H new ATOM 0 HD11 LEU A 44 10.441 -0.389 10.503 1.00 0.61 H new ATOM 0 HD12 LEU A 44 9.060 0.254 11.424 1.00 0.61 H new ATOM 0 HD13 LEU A 44 9.599 -1.422 11.682 1.00 0.61 H new ATOM 0 HD21 LEU A 44 10.106 -2.047 8.759 1.00 1.93 H new ATOM 0 HD22 LEU A 44 9.228 -3.126 9.870 1.00 1.93 H new ATOM 0 HD23 LEU A 44 8.473 -2.619 8.341 1.00 1.93 H new ATOM 538 N LEU A 45 7.322 1.757 10.941 1.00 0.33 N ATOM 539 CA LEU A 45 7.787 2.936 11.642 1.00 0.47 C ATOM 540 C LEU A 45 6.595 3.624 12.315 1.00 0.44 C ATOM 541 O LEU A 45 6.661 4.008 13.485 1.00 0.50 O ATOM 542 CB LEU A 45 8.564 3.831 10.631 1.00 0.66 C ATOM 543 CG LEU A 45 8.429 5.371 10.697 1.00 0.71 C ATOM 544 CD1 LEU A 45 7.103 5.841 10.107 1.00 0.77 C ATOM 545 CD2 LEU A 45 8.629 5.909 12.111 1.00 1.28 C ATOM 0 H LEU A 45 7.478 1.777 9.933 1.00 0.33 H new ATOM 0 HA LEU A 45 8.482 2.693 12.446 1.00 0.47 H new ATOM 0 HB2 LEU A 45 9.623 3.594 10.736 1.00 0.66 H new ATOM 0 HB3 LEU A 45 8.266 3.522 9.629 1.00 0.66 H new ATOM 0 HG LEU A 45 9.231 5.783 10.085 1.00 0.71 H new ATOM 0 HD11 LEU A 45 7.042 6.927 10.170 1.00 0.77 H new ATOM 0 HD12 LEU A 45 7.040 5.534 9.063 1.00 0.77 H new ATOM 0 HD13 LEU A 45 6.279 5.398 10.666 1.00 0.77 H new ATOM 0 HD21 LEU A 45 8.525 6.994 12.106 1.00 1.28 H new ATOM 0 HD22 LEU A 45 7.880 5.476 12.774 1.00 1.28 H new ATOM 0 HD23 LEU A 45 9.625 5.642 12.464 1.00 1.28 H new ATOM 557 N LYS A 46 5.499 3.739 11.583 1.00 0.40 N ATOM 558 CA LYS A 46 4.334 4.457 12.058 1.00 0.46 C ATOM 559 C LYS A 46 3.524 3.673 13.098 1.00 0.47 C ATOM 560 O LYS A 46 3.053 4.244 14.084 1.00 0.59 O ATOM 561 CB LYS A 46 3.454 4.816 10.865 1.00 0.48 C ATOM 562 CG LYS A 46 2.301 5.729 11.232 1.00 0.80 C ATOM 563 CD LYS A 46 2.782 6.979 11.949 1.00 1.37 C ATOM 564 CE LYS A 46 3.618 7.874 11.046 1.00 1.51 C ATOM 565 NZ LYS A 46 4.041 9.116 11.743 1.00 2.32 N ATOM 0 H LYS A 46 5.395 3.340 10.650 1.00 0.40 H new ATOM 0 HA LYS A 46 4.685 5.357 12.562 1.00 0.46 H new ATOM 0 HB2 LYS A 46 4.065 5.300 10.103 1.00 0.48 H new ATOM 0 HB3 LYS A 46 3.059 3.901 10.424 1.00 0.48 H new ATOM 0 HG2 LYS A 46 1.759 6.012 10.330 1.00 0.80 H new ATOM 0 HG3 LYS A 46 1.599 5.191 11.869 1.00 0.80 H new ATOM 0 HD2 LYS A 46 1.922 7.539 12.317 1.00 1.37 H new ATOM 0 HD3 LYS A 46 3.372 6.692 12.820 1.00 1.37 H new ATOM 0 HE2 LYS A 46 4.499 7.329 10.708 1.00 1.51 H new ATOM 0 HE3 LYS A 46 3.043 8.133 10.157 1.00 1.51 H new ATOM 0 HZ1 LYS A 46 4.608 9.701 11.097 1.00 2.32 H new ATOM 0 HZ2 LYS A 46 3.200 9.649 12.044 1.00 2.32 H new ATOM 0 HZ3 LYS A 46 4.611 8.869 12.577 1.00 2.32 H new ATOM 579 N ASN A 47 3.369 2.373 12.888 1.00 0.39 N ATOM 580 CA ASN A 47 2.487 1.570 13.738 1.00 0.45 C ATOM 581 C ASN A 47 3.262 0.787 14.792 1.00 0.42 C ATOM 582 O ASN A 47 2.682 0.279 15.750 1.00 0.51 O ATOM 583 CB ASN A 47 1.659 0.616 12.873 1.00 0.47 C ATOM 584 CG ASN A 47 0.591 1.339 12.071 1.00 0.62 C ATOM 585 OD1 ASN A 47 -0.013 2.301 12.546 1.00 1.08 O ATOM 586 ND2 ASN A 47 0.368 0.900 10.841 1.00 1.37 N ATOM 0 H ASN A 47 3.835 1.852 12.145 1.00 0.39 H new ATOM 0 HA ASN A 47 1.824 2.255 14.266 1.00 0.45 H new ATOM 0 HB2 ASN A 47 2.321 0.081 12.192 1.00 0.47 H new ATOM 0 HB3 ASN A 47 1.187 -0.131 13.511 1.00 0.47 H new ATOM 0 HD21 ASN A 47 -0.325 1.363 10.252 1.00 1.37 H new ATOM 0 HD22 ASN A 47 0.889 0.099 10.483 1.00 1.37 H new ATOM 593 N ASP A 48 4.572 0.709 14.604 1.00 0.37 N ATOM 594 CA ASP A 48 5.503 0.127 15.581 1.00 0.43 C ATOM 595 C ASP A 48 5.169 -1.329 15.957 1.00 0.42 C ATOM 596 O ASP A 48 5.502 -1.780 17.052 1.00 0.51 O ATOM 597 CB ASP A 48 5.555 1.005 16.843 1.00 0.58 C ATOM 598 CG ASP A 48 6.739 0.684 17.739 1.00 1.13 C ATOM 599 OD1 ASP A 48 7.880 1.028 17.367 1.00 1.12 O ATOM 600 OD2 ASP A 48 6.536 0.096 18.820 1.00 1.90 O ATOM 0 H ASP A 48 5.031 1.051 13.760 1.00 0.37 H new ATOM 0 HA ASP A 48 6.482 0.101 15.102 1.00 0.43 H new ATOM 0 HB2 ASP A 48 5.603 2.053 16.548 1.00 0.58 H new ATOM 0 HB3 ASP A 48 4.632 0.875 17.408 1.00 0.58 H new ATOM 605 N TYR A 49 4.535 -2.079 15.050 1.00 0.42 N ATOM 606 CA TYR A 49 4.359 -3.523 15.267 1.00 0.59 C ATOM 607 C TYR A 49 3.792 -4.235 14.044 1.00 0.69 C ATOM 608 O TYR A 49 3.940 -5.446 13.922 1.00 1.34 O ATOM 609 CB TYR A 49 3.502 -3.839 16.504 1.00 0.72 C ATOM 610 CG TYR A 49 2.017 -3.569 16.367 1.00 0.77 C ATOM 611 CD1 TYR A 49 1.490 -2.318 16.648 1.00 0.71 C ATOM 612 CD2 TYR A 49 1.140 -4.580 15.991 1.00 1.04 C ATOM 613 CE1 TYR A 49 0.135 -2.076 16.553 1.00 0.85 C ATOM 614 CE2 TYR A 49 -0.217 -4.344 15.888 1.00 1.22 C ATOM 615 CZ TYR A 49 -0.714 -3.090 16.174 1.00 1.11 C ATOM 616 OH TYR A 49 -2.066 -2.853 16.083 1.00 1.33 O ATOM 0 H TYR A 49 4.143 -1.724 14.178 1.00 0.42 H new ATOM 0 HA TYR A 49 5.363 -3.907 15.447 1.00 0.59 H new ATOM 0 HB2 TYR A 49 3.639 -4.890 16.758 1.00 0.72 H new ATOM 0 HB3 TYR A 49 3.882 -3.257 17.343 1.00 0.72 H new ATOM 0 HD1 TYR A 49 2.152 -1.519 16.947 1.00 0.71 H new ATOM 0 HD2 TYR A 49 1.526 -5.566 15.776 1.00 1.04 H new ATOM 0 HE1 TYR A 49 -0.257 -1.095 16.775 1.00 0.85 H new ATOM 0 HE2 TYR A 49 -0.885 -5.137 15.585 1.00 1.22 H new ATOM 0 HH TYR A 49 -2.337 -2.862 15.141 1.00 1.33 H new ATOM 626 N PHE A 50 3.158 -3.497 13.136 1.00 0.47 N ATOM 627 CA PHE A 50 2.700 -4.068 11.861 1.00 0.47 C ATOM 628 C PHE A 50 3.874 -4.264 10.914 1.00 0.47 C ATOM 629 O PHE A 50 3.722 -4.248 9.693 1.00 0.62 O ATOM 630 CB PHE A 50 1.664 -3.161 11.208 1.00 0.53 C ATOM 631 CG PHE A 50 0.295 -3.293 11.799 1.00 0.63 C ATOM 632 CD1 PHE A 50 -0.371 -4.505 11.774 1.00 0.67 C ATOM 633 CD2 PHE A 50 -0.321 -2.203 12.387 1.00 0.78 C ATOM 634 CE1 PHE A 50 -1.629 -4.629 12.325 1.00 0.83 C ATOM 635 CE2 PHE A 50 -1.581 -2.321 12.938 1.00 0.92 C ATOM 636 CZ PHE A 50 -2.247 -3.542 12.880 1.00 0.93 C ATOM 0 H PHE A 50 2.948 -2.506 13.254 1.00 0.47 H new ATOM 0 HA PHE A 50 2.243 -5.036 12.069 1.00 0.47 H new ATOM 0 HB2 PHE A 50 1.991 -2.125 11.298 1.00 0.53 H new ATOM 0 HB3 PHE A 50 1.614 -3.388 10.143 1.00 0.53 H new ATOM 0 HD1 PHE A 50 0.099 -5.364 11.318 1.00 0.67 H new ATOM 0 HD2 PHE A 50 0.188 -1.251 12.415 1.00 0.78 H new ATOM 0 HE1 PHE A 50 -2.128 -5.587 12.318 1.00 0.83 H new ATOM 0 HE2 PHE A 50 -2.048 -1.470 13.412 1.00 0.92 H new ATOM 0 HZ PHE A 50 -3.249 -3.631 13.272 1.00 0.93 H new ATOM 646 N SER A 51 5.031 -4.458 11.505 1.00 0.45 N ATOM 647 CA SER A 51 6.272 -4.612 10.792 1.00 0.55 C ATOM 648 C SER A 51 6.353 -5.956 10.090 1.00 0.59 C ATOM 649 O SER A 51 5.410 -6.743 10.132 1.00 0.54 O ATOM 650 CB SER A 51 7.424 -4.448 11.773 1.00 0.62 C ATOM 651 OG SER A 51 7.090 -5.023 13.020 1.00 0.76 O ATOM 0 H SER A 51 5.134 -4.514 12.518 1.00 0.45 H new ATOM 0 HA SER A 51 6.331 -3.847 10.018 1.00 0.55 H new ATOM 0 HB2 SER A 51 8.321 -4.922 11.374 1.00 0.62 H new ATOM 0 HB3 SER A 51 7.653 -3.390 11.902 1.00 0.62 H new ATOM 0 HG SER A 51 7.881 -5.458 13.402 1.00 0.76 H new ATOM 657 N ALA A 52 7.465 -6.192 9.428 1.00 0.72 N ATOM 658 CA ALA A 52 7.706 -7.450 8.728 1.00 0.76 C ATOM 659 C ALA A 52 7.446 -8.668 9.620 1.00 0.71 C ATOM 660 O ALA A 52 7.044 -9.708 9.125 1.00 0.68 O ATOM 661 CB ALA A 52 9.129 -7.484 8.194 1.00 0.94 C ATOM 0 H ALA A 52 8.231 -5.523 9.356 1.00 0.72 H new ATOM 0 HA ALA A 52 7.003 -7.502 7.897 1.00 0.76 H new ATOM 0 HB1 ALA A 52 9.300 -8.426 7.673 1.00 0.94 H new ATOM 0 HB2 ALA A 52 9.278 -6.655 7.502 1.00 0.94 H new ATOM 0 HB3 ALA A 52 9.831 -7.395 9.023 1.00 0.94 H new ATOM 667 N GLU A 53 7.675 -8.539 10.925 1.00 0.76 N ATOM 668 CA GLU A 53 7.396 -9.633 11.864 1.00 0.79 C ATOM 669 C GLU A 53 5.905 -9.982 11.856 1.00 0.67 C ATOM 670 O GLU A 53 5.527 -11.146 11.705 1.00 0.67 O ATOM 671 CB GLU A 53 7.813 -9.259 13.296 1.00 0.92 C ATOM 672 CG GLU A 53 9.262 -8.814 13.445 1.00 1.56 C ATOM 673 CD GLU A 53 9.505 -7.409 12.933 1.00 2.33 C ATOM 674 OE1 GLU A 53 9.202 -6.444 13.666 1.00 2.87 O ATOM 675 OE2 GLU A 53 9.975 -7.266 11.785 1.00 3.00 O ATOM 0 H GLU A 53 8.050 -7.695 11.358 1.00 0.76 H new ATOM 0 HA GLU A 53 7.977 -10.496 11.539 1.00 0.79 H new ATOM 0 HB2 GLU A 53 7.164 -8.459 13.651 1.00 0.92 H new ATOM 0 HB3 GLU A 53 7.643 -10.118 13.945 1.00 0.92 H new ATOM 0 HG2 GLU A 53 9.546 -8.866 14.496 1.00 1.56 H new ATOM 0 HG3 GLU A 53 9.907 -9.508 12.906 1.00 1.56 H new ATOM 682 N ASP A 54 5.064 -8.959 11.981 1.00 0.59 N ATOM 683 CA ASP A 54 3.613 -9.137 11.947 1.00 0.53 C ATOM 684 C ASP A 54 3.172 -9.510 10.544 1.00 0.41 C ATOM 685 O ASP A 54 2.288 -10.346 10.342 1.00 0.38 O ATOM 686 CB ASP A 54 2.912 -7.850 12.392 1.00 0.54 C ATOM 687 CG ASP A 54 1.425 -7.857 12.100 1.00 0.59 C ATOM 688 OD1 ASP A 54 0.672 -8.528 12.834 1.00 0.69 O ATOM 689 OD2 ASP A 54 1.008 -7.196 11.122 1.00 0.65 O ATOM 0 H ASP A 54 5.364 -7.992 12.108 1.00 0.59 H new ATOM 0 HA ASP A 54 3.340 -9.940 12.632 1.00 0.53 H new ATOM 0 HB2 ASP A 54 3.066 -7.709 13.462 1.00 0.54 H new ATOM 0 HB3 ASP A 54 3.372 -6.999 11.889 1.00 0.54 H new ATOM 694 N ALA A 55 3.812 -8.878 9.576 1.00 0.39 N ATOM 695 CA ALA A 55 3.578 -9.168 8.180 1.00 0.35 C ATOM 696 C ALA A 55 3.871 -10.633 7.863 1.00 0.33 C ATOM 697 O ALA A 55 3.093 -11.283 7.175 1.00 0.36 O ATOM 698 CB ALA A 55 4.420 -8.253 7.296 1.00 0.43 C ATOM 0 H ALA A 55 4.508 -8.150 9.740 1.00 0.39 H new ATOM 0 HA ALA A 55 2.524 -8.983 7.972 1.00 0.35 H new ATOM 0 HB1 ALA A 55 4.231 -8.485 6.248 1.00 0.43 H new ATOM 0 HB2 ALA A 55 4.155 -7.214 7.491 1.00 0.43 H new ATOM 0 HB3 ALA A 55 5.476 -8.405 7.517 1.00 0.43 H new ATOM 704 N GLU A 56 4.967 -11.145 8.406 1.00 0.36 N ATOM 705 CA GLU A 56 5.385 -12.528 8.186 1.00 0.41 C ATOM 706 C GLU A 56 4.303 -13.508 8.628 1.00 0.35 C ATOM 707 O GLU A 56 3.984 -14.460 7.913 1.00 0.38 O ATOM 708 CB GLU A 56 6.680 -12.808 8.958 1.00 0.56 C ATOM 709 CG GLU A 56 7.228 -14.213 8.764 1.00 0.96 C ATOM 710 CD GLU A 56 7.847 -14.423 7.398 1.00 1.60 C ATOM 711 OE1 GLU A 56 7.096 -14.721 6.445 1.00 2.44 O ATOM 712 OE2 GLU A 56 9.077 -14.272 7.262 1.00 1.81 O ATOM 0 H GLU A 56 5.593 -10.615 9.012 1.00 0.36 H new ATOM 0 HA GLU A 56 5.556 -12.665 7.118 1.00 0.41 H new ATOM 0 HB2 GLU A 56 7.438 -12.088 8.648 1.00 0.56 H new ATOM 0 HB3 GLU A 56 6.500 -12.644 10.020 1.00 0.56 H new ATOM 0 HG2 GLU A 56 7.976 -14.414 9.531 1.00 0.96 H new ATOM 0 HG3 GLU A 56 6.423 -14.934 8.907 1.00 0.96 H new ATOM 719 N ILE A 57 3.732 -13.267 9.800 1.00 0.35 N ATOM 720 CA ILE A 57 2.740 -14.175 10.361 1.00 0.40 C ATOM 721 C ILE A 57 1.522 -14.293 9.444 1.00 0.38 C ATOM 722 O ILE A 57 1.104 -15.396 9.089 1.00 0.45 O ATOM 723 CB ILE A 57 2.275 -13.709 11.762 1.00 0.48 C ATOM 724 CG1 ILE A 57 3.479 -13.380 12.654 1.00 0.60 C ATOM 725 CG2 ILE A 57 1.402 -14.772 12.418 1.00 0.58 C ATOM 726 CD1 ILE A 57 4.512 -14.486 12.729 1.00 0.67 C ATOM 0 H ILE A 57 3.937 -12.453 10.380 1.00 0.35 H new ATOM 0 HA ILE A 57 3.219 -15.150 10.453 1.00 0.40 H new ATOM 0 HB ILE A 57 1.683 -12.802 11.638 1.00 0.48 H new ATOM 0 HG12 ILE A 57 3.958 -12.475 12.281 1.00 0.60 H new ATOM 0 HG13 ILE A 57 3.123 -13.161 13.661 1.00 0.60 H new ATOM 0 HG21 ILE A 57 1.085 -14.426 13.402 1.00 0.58 H new ATOM 0 HG22 ILE A 57 0.525 -14.956 11.798 1.00 0.58 H new ATOM 0 HG23 ILE A 57 1.971 -15.696 12.524 1.00 0.58 H new ATOM 0 HD11 ILE A 57 5.331 -14.176 13.378 1.00 0.67 H new ATOM 0 HD12 ILE A 57 4.051 -15.388 13.132 1.00 0.67 H new ATOM 0 HD13 ILE A 57 4.899 -14.691 11.731 1.00 0.67 H new ATOM 738 N VAL A 58 0.971 -13.153 9.054 1.00 0.35 N ATOM 739 CA VAL A 58 -0.209 -13.122 8.195 1.00 0.42 C ATOM 740 C VAL A 58 0.113 -13.522 6.751 1.00 0.45 C ATOM 741 O VAL A 58 -0.666 -14.221 6.109 1.00 0.55 O ATOM 742 CB VAL A 58 -0.869 -11.729 8.211 1.00 0.43 C ATOM 743 CG1 VAL A 58 -2.096 -11.683 7.309 1.00 0.56 C ATOM 744 CG2 VAL A 58 -1.241 -11.338 9.630 1.00 0.43 C ATOM 0 H VAL A 58 1.322 -12.233 9.319 1.00 0.35 H new ATOM 0 HA VAL A 58 -0.906 -13.856 8.600 1.00 0.42 H new ATOM 0 HB VAL A 58 -0.145 -11.012 7.824 1.00 0.43 H new ATOM 0 HG11 VAL A 58 -2.536 -10.687 7.344 1.00 0.56 H new ATOM 0 HG12 VAL A 58 -1.804 -11.914 6.285 1.00 0.56 H new ATOM 0 HG13 VAL A 58 -2.827 -12.415 7.652 1.00 0.56 H new ATOM 0 HG21 VAL A 58 -1.706 -10.352 9.626 1.00 0.43 H new ATOM 0 HG22 VAL A 58 -1.941 -12.068 10.037 1.00 0.43 H new ATOM 0 HG23 VAL A 58 -0.343 -11.313 10.248 1.00 0.43 H new ATOM 754 N CYS A 59 1.274 -13.086 6.257 1.00 0.41 N ATOM 755 CA CYS A 59 1.642 -13.259 4.845 1.00 0.48 C ATOM 756 C CYS A 59 1.619 -14.722 4.419 1.00 0.55 C ATOM 757 O CYS A 59 1.542 -15.019 3.230 1.00 0.63 O ATOM 758 CB CYS A 59 3.016 -12.649 4.541 1.00 0.52 C ATOM 759 SG CYS A 59 4.422 -13.625 5.115 1.00 0.92 S ATOM 0 H CYS A 59 1.981 -12.608 6.816 1.00 0.41 H new ATOM 0 HA CYS A 59 0.887 -12.727 4.266 1.00 0.48 H new ATOM 0 HB2 CYS A 59 3.105 -12.508 3.464 1.00 0.52 H new ATOM 0 HB3 CYS A 59 3.068 -11.660 4.997 1.00 0.52 H new ATOM 0 HG CYS A 59 4.074 -14.315 6.161 1.00 0.92 H new ATOM 765 N ALA A 60 1.728 -15.626 5.390 1.00 0.54 N ATOM 766 CA ALA A 60 1.716 -17.064 5.131 1.00 0.64 C ATOM 767 C ALA A 60 0.637 -17.466 4.120 1.00 0.70 C ATOM 768 O ALA A 60 0.847 -18.378 3.320 1.00 0.78 O ATOM 769 CB ALA A 60 1.528 -17.827 6.436 1.00 0.67 C ATOM 0 H ALA A 60 1.827 -15.383 6.376 1.00 0.54 H new ATOM 0 HA ALA A 60 2.679 -17.324 4.691 1.00 0.64 H new ATOM 0 HB1 ALA A 60 1.520 -18.898 6.233 1.00 0.67 H new ATOM 0 HB2 ALA A 60 2.347 -17.592 7.116 1.00 0.67 H new ATOM 0 HB3 ALA A 60 0.582 -17.537 6.894 1.00 0.67 H new ATOM 775 N CYS A 61 -0.504 -16.778 4.129 1.00 0.69 N ATOM 776 CA CYS A 61 -1.583 -17.120 3.209 1.00 0.76 C ATOM 777 C CYS A 61 -1.704 -16.099 2.058 1.00 0.71 C ATOM 778 O CYS A 61 -1.457 -16.449 0.905 1.00 0.79 O ATOM 779 CB CYS A 61 -2.911 -17.275 3.959 1.00 0.81 C ATOM 780 SG CYS A 61 -4.253 -17.945 2.953 1.00 1.41 S ATOM 0 H CYS A 61 -0.702 -15.995 4.752 1.00 0.69 H new ATOM 0 HA CYS A 61 -1.335 -18.080 2.757 1.00 0.76 H new ATOM 0 HB2 CYS A 61 -2.756 -17.926 4.819 1.00 0.81 H new ATOM 0 HB3 CYS A 61 -3.213 -16.302 4.346 1.00 0.81 H new ATOM 0 HG CYS A 61 -5.330 -18.040 3.674 1.00 1.41 H new ATOM 786 N PRO A 62 -2.066 -14.822 2.332 1.00 0.62 N ATOM 787 CA PRO A 62 -2.281 -13.810 1.287 1.00 0.60 C ATOM 788 C PRO A 62 -0.981 -13.141 0.825 1.00 0.54 C ATOM 789 O PRO A 62 -0.991 -12.080 0.202 1.00 0.49 O ATOM 790 CB PRO A 62 -3.192 -12.780 1.972 1.00 0.58 C ATOM 791 CG PRO A 62 -3.442 -13.291 3.355 1.00 0.60 C ATOM 792 CD PRO A 62 -2.326 -14.243 3.651 1.00 0.57 C ATOM 0 HA PRO A 62 -2.704 -14.252 0.385 1.00 0.60 H new ATOM 0 HB2 PRO A 62 -2.717 -11.799 2.000 1.00 0.58 H new ATOM 0 HB3 PRO A 62 -4.128 -12.665 1.425 1.00 0.58 H new ATOM 0 HG2 PRO A 62 -3.459 -12.474 4.076 1.00 0.60 H new ATOM 0 HG3 PRO A 62 -4.408 -13.791 3.417 1.00 0.60 H new ATOM 0 HD2 PRO A 62 -1.450 -13.734 4.053 1.00 0.57 H new ATOM 0 HD3 PRO A 62 -2.617 -15.000 4.379 1.00 0.57 H new ATOM 800 N THR A 63 0.125 -13.789 1.140 1.00 0.58 N ATOM 801 CA THR A 63 1.478 -13.315 0.834 1.00 0.57 C ATOM 802 C THR A 63 1.746 -11.921 1.411 1.00 0.46 C ATOM 803 O THR A 63 0.907 -11.354 2.117 1.00 0.42 O ATOM 804 CB THR A 63 1.811 -13.359 -0.683 1.00 0.66 C ATOM 805 OG1 THR A 63 0.848 -12.627 -1.454 1.00 0.93 O ATOM 806 CG2 THR A 63 1.866 -14.798 -1.177 1.00 0.94 C ATOM 0 H THR A 63 0.116 -14.684 1.629 1.00 0.58 H new ATOM 0 HA THR A 63 2.150 -14.018 1.326 1.00 0.57 H new ATOM 0 HB THR A 63 2.787 -12.892 -0.814 1.00 0.66 H new ATOM 0 HG1 THR A 63 0.324 -12.049 -0.860 1.00 0.93 H new ATOM 0 HG21 THR A 63 2.100 -14.809 -2.241 1.00 0.94 H new ATOM 0 HG22 THR A 63 2.637 -15.341 -0.630 1.00 0.94 H new ATOM 0 HG23 THR A 63 0.900 -15.276 -1.013 1.00 0.94 H new ATOM 814 N GLN A 64 2.926 -11.383 1.147 1.00 0.46 N ATOM 815 CA GLN A 64 3.306 -10.080 1.681 1.00 0.44 C ATOM 816 C GLN A 64 2.448 -8.942 1.122 1.00 0.40 C ATOM 817 O GLN A 64 1.998 -8.084 1.883 1.00 0.38 O ATOM 818 CB GLN A 64 4.791 -9.804 1.434 1.00 0.55 C ATOM 819 CG GLN A 64 5.717 -10.663 2.279 1.00 0.81 C ATOM 820 CD GLN A 64 7.180 -10.393 1.996 1.00 1.45 C ATOM 821 OE1 GLN A 64 7.555 -9.291 1.598 1.00 2.09 O ATOM 822 NE2 GLN A 64 8.017 -11.393 2.219 1.00 2.22 N ATOM 0 H GLN A 64 3.638 -11.826 0.567 1.00 0.46 H new ATOM 0 HA GLN A 64 3.126 -10.117 2.755 1.00 0.44 H new ATOM 0 HB2 GLN A 64 5.013 -9.973 0.380 1.00 0.55 H new ATOM 0 HB3 GLN A 64 4.996 -8.753 1.639 1.00 0.55 H new ATOM 0 HG2 GLN A 64 5.515 -10.479 3.334 1.00 0.81 H new ATOM 0 HG3 GLN A 64 5.502 -11.715 2.092 1.00 0.81 H new ATOM 0 HE21 GLN A 64 7.663 -12.291 2.549 1.00 2.22 H new ATOM 0 HE22 GLN A 64 9.017 -11.266 2.061 1.00 2.22 H new ATOM 831 N PRO A 65 2.210 -8.889 -0.201 1.00 0.41 N ATOM 832 CA PRO A 65 1.409 -7.821 -0.794 1.00 0.40 C ATOM 833 C PRO A 65 -0.005 -7.690 -0.210 1.00 0.33 C ATOM 834 O PRO A 65 -0.497 -6.576 -0.049 1.00 0.32 O ATOM 835 CB PRO A 65 1.363 -8.169 -2.279 1.00 0.48 C ATOM 836 CG PRO A 65 1.811 -9.583 -2.384 1.00 0.55 C ATOM 837 CD PRO A 65 2.736 -9.802 -1.231 1.00 0.48 C ATOM 0 HA PRO A 65 1.857 -6.849 -0.586 1.00 0.40 H new ATOM 0 HB2 PRO A 65 0.355 -8.049 -2.677 1.00 0.48 H new ATOM 0 HB3 PRO A 65 2.013 -7.510 -2.854 1.00 0.48 H new ATOM 0 HG2 PRO A 65 0.963 -10.266 -2.341 1.00 0.55 H new ATOM 0 HG3 PRO A 65 2.318 -9.764 -3.332 1.00 0.55 H new ATOM 0 HD2 PRO A 65 2.723 -10.839 -0.895 1.00 0.48 H new ATOM 0 HD3 PRO A 65 3.767 -9.564 -1.491 1.00 0.48 H new ATOM 845 N ASP A 66 -0.690 -8.788 0.089 1.00 0.31 N ATOM 846 CA ASP A 66 -1.989 -8.656 0.746 1.00 0.29 C ATOM 847 C ASP A 66 -1.802 -8.204 2.190 1.00 0.26 C ATOM 848 O ASP A 66 -2.638 -7.496 2.752 1.00 0.26 O ATOM 849 CB ASP A 66 -2.803 -9.938 0.710 1.00 0.34 C ATOM 850 CG ASP A 66 -4.279 -9.654 0.478 1.00 0.68 C ATOM 851 OD1 ASP A 66 -4.643 -9.238 -0.648 1.00 1.02 O ATOM 852 OD2 ASP A 66 -5.079 -9.828 1.421 1.00 1.11 O ATOM 0 H ASP A 66 -0.386 -9.743 -0.102 1.00 0.31 H new ATOM 0 HA ASP A 66 -2.549 -7.905 0.188 1.00 0.29 H new ATOM 0 HB2 ASP A 66 -2.427 -10.587 -0.081 1.00 0.34 H new ATOM 0 HB3 ASP A 66 -2.678 -10.476 1.650 1.00 0.34 H new ATOM 857 N LYS A 67 -0.701 -8.636 2.791 1.00 0.28 N ATOM 858 CA LYS A 67 -0.374 -8.267 4.160 1.00 0.29 C ATOM 859 C LYS A 67 -0.210 -6.752 4.303 1.00 0.29 C ATOM 860 O LYS A 67 -0.626 -6.170 5.309 1.00 0.33 O ATOM 861 CB LYS A 67 0.896 -8.982 4.625 1.00 0.35 C ATOM 862 CG LYS A 67 1.321 -8.592 6.030 1.00 0.64 C ATOM 863 CD LYS A 67 0.211 -8.860 7.033 1.00 0.79 C ATOM 864 CE LYS A 67 0.604 -8.470 8.453 1.00 1.13 C ATOM 865 NZ LYS A 67 1.119 -7.080 8.543 1.00 1.28 N ATOM 0 H LYS A 67 -0.015 -9.247 2.347 1.00 0.28 H new ATOM 0 HA LYS A 67 -1.204 -8.580 4.793 1.00 0.29 H new ATOM 0 HB2 LYS A 67 0.733 -10.059 4.587 1.00 0.35 H new ATOM 0 HB3 LYS A 67 1.706 -8.757 3.932 1.00 0.35 H new ATOM 0 HG2 LYS A 67 2.213 -9.152 6.312 1.00 0.64 H new ATOM 0 HG3 LYS A 67 1.588 -7.535 6.052 1.00 0.64 H new ATOM 0 HD2 LYS A 67 -0.681 -8.306 6.741 1.00 0.79 H new ATOM 0 HD3 LYS A 67 -0.049 -9.918 7.009 1.00 0.79 H new ATOM 0 HE2 LYS A 67 -0.261 -8.576 9.107 1.00 1.13 H new ATOM 0 HE3 LYS A 67 1.365 -9.160 8.817 1.00 1.13 H new ATOM 0 HZ1 LYS A 67 0.854 -6.671 9.462 1.00 1.28 H new ATOM 0 HZ2 LYS A 67 2.155 -7.087 8.453 1.00 1.28 H new ATOM 0 HZ3 LYS A 67 0.709 -6.508 7.778 1.00 1.28 H new ATOM 879 N VAL A 68 0.404 -6.116 3.310 1.00 0.27 N ATOM 880 CA VAL A 68 0.525 -4.664 3.319 1.00 0.29 C ATOM 881 C VAL A 68 -0.847 -4.021 3.152 1.00 0.26 C ATOM 882 O VAL A 68 -1.123 -2.975 3.725 1.00 0.28 O ATOM 883 CB VAL A 68 1.532 -4.106 2.284 1.00 0.37 C ATOM 884 CG1 VAL A 68 2.916 -4.676 2.533 1.00 0.47 C ATOM 885 CG2 VAL A 68 1.093 -4.371 0.859 1.00 0.47 C ATOM 0 H VAL A 68 0.820 -6.576 2.500 1.00 0.27 H new ATOM 0 HA VAL A 68 0.938 -4.398 4.292 1.00 0.29 H new ATOM 0 HB VAL A 68 1.566 -3.024 2.413 1.00 0.37 H new ATOM 0 HG11 VAL A 68 3.613 -4.274 1.797 1.00 0.47 H new ATOM 0 HG12 VAL A 68 3.248 -4.402 3.534 1.00 0.47 H new ATOM 0 HG13 VAL A 68 2.883 -5.762 2.446 1.00 0.47 H new ATOM 0 HG21 VAL A 68 1.831 -3.961 0.169 1.00 0.47 H new ATOM 0 HG22 VAL A 68 1.004 -5.446 0.700 1.00 0.47 H new ATOM 0 HG23 VAL A 68 0.128 -3.897 0.682 1.00 0.47 H new ATOM 895 N ARG A 69 -1.708 -4.643 2.357 1.00 0.24 N ATOM 896 CA ARG A 69 -3.096 -4.221 2.290 1.00 0.31 C ATOM 897 C ARG A 69 -3.697 -4.178 3.691 1.00 0.25 C ATOM 898 O ARG A 69 -4.338 -3.202 4.064 1.00 0.25 O ATOM 899 CB ARG A 69 -3.895 -5.159 1.369 1.00 0.47 C ATOM 900 CG ARG A 69 -5.422 -5.074 1.492 1.00 0.63 C ATOM 901 CD ARG A 69 -5.951 -3.644 1.484 1.00 0.92 C ATOM 902 NE ARG A 69 -5.075 -2.727 0.761 1.00 1.48 N ATOM 903 CZ ARG A 69 -4.706 -1.545 1.242 1.00 1.89 C ATOM 904 NH1 ARG A 69 -5.287 -1.068 2.334 1.00 2.21 N ATOM 905 NH2 ARG A 69 -3.787 -0.824 0.608 1.00 2.61 N ATOM 0 H ARG A 69 -1.471 -5.433 1.757 1.00 0.24 H new ATOM 0 HA ARG A 69 -3.145 -3.217 1.869 1.00 0.31 H new ATOM 0 HB2 ARG A 69 -3.620 -4.944 0.336 1.00 0.47 H new ATOM 0 HB3 ARG A 69 -3.589 -6.185 1.573 1.00 0.47 H new ATOM 0 HG2 ARG A 69 -5.877 -5.626 0.670 1.00 0.63 H new ATOM 0 HG3 ARG A 69 -5.733 -5.563 2.415 1.00 0.63 H new ATOM 0 HD2 ARG A 69 -6.942 -3.629 1.029 1.00 0.92 H new ATOM 0 HD3 ARG A 69 -6.066 -3.297 2.511 1.00 0.92 H new ATOM 0 HE ARG A 69 -4.730 -3.007 -0.157 1.00 1.48 H new ATOM 0 HH11 ARG A 69 -6.015 -1.608 2.802 1.00 2.21 H new ATOM 0 HH12 ARG A 69 -5.006 -0.161 2.706 1.00 2.21 H new ATOM 0 HH21 ARG A 69 -3.364 -1.178 -0.250 1.00 2.61 H new ATOM 0 HH22 ARG A 69 -3.505 0.083 0.979 1.00 2.61 H new ATOM 919 N LYS A 70 -3.446 -5.214 4.472 1.00 0.24 N ATOM 920 CA LYS A 70 -3.946 -5.272 5.835 1.00 0.26 C ATOM 921 C LYS A 70 -3.382 -4.137 6.699 1.00 0.23 C ATOM 922 O LYS A 70 -4.120 -3.511 7.455 1.00 0.27 O ATOM 923 CB LYS A 70 -3.652 -6.650 6.437 1.00 0.31 C ATOM 924 CG LYS A 70 -3.602 -6.687 7.958 1.00 0.31 C ATOM 925 CD LYS A 70 -2.162 -6.712 8.427 1.00 0.31 C ATOM 926 CE LYS A 70 -2.025 -6.889 9.934 1.00 0.38 C ATOM 927 NZ LYS A 70 -2.869 -7.998 10.462 1.00 0.75 N ATOM 0 H LYS A 70 -2.899 -6.026 4.186 1.00 0.24 H new ATOM 0 HA LYS A 70 -5.026 -5.129 5.813 1.00 0.26 H new ATOM 0 HB2 LYS A 70 -4.415 -7.350 6.096 1.00 0.31 H new ATOM 0 HB3 LYS A 70 -2.698 -7.004 6.048 1.00 0.31 H new ATOM 0 HG2 LYS A 70 -4.112 -5.815 8.368 1.00 0.31 H new ATOM 0 HG3 LYS A 70 -4.129 -7.567 8.326 1.00 0.31 H new ATOM 0 HD2 LYS A 70 -1.637 -7.523 7.923 1.00 0.31 H new ATOM 0 HD3 LYS A 70 -1.674 -5.783 8.131 1.00 0.31 H new ATOM 0 HE2 LYS A 70 -0.981 -7.084 10.179 1.00 0.38 H new ATOM 0 HE3 LYS A 70 -2.301 -5.959 10.431 1.00 0.38 H new ATOM 0 HZ1 LYS A 70 -2.388 -8.447 11.268 1.00 0.75 H new ATOM 0 HZ2 LYS A 70 -3.786 -7.619 10.773 1.00 0.75 H new ATOM 0 HZ3 LYS A 70 -3.022 -8.704 9.714 1.00 0.75 H new ATOM 941 N ILE A 71 -2.084 -3.858 6.585 1.00 0.21 N ATOM 942 CA ILE A 71 -1.481 -2.802 7.400 1.00 0.21 C ATOM 943 C ILE A 71 -1.984 -1.417 6.985 1.00 0.18 C ATOM 944 O ILE A 71 -2.311 -0.591 7.838 1.00 0.20 O ATOM 945 CB ILE A 71 0.071 -2.849 7.412 1.00 0.28 C ATOM 946 CG1 ILE A 71 0.670 -2.708 6.008 1.00 0.43 C ATOM 947 CG2 ILE A 71 0.538 -4.135 8.062 1.00 0.50 C ATOM 948 CD1 ILE A 71 2.169 -2.978 5.920 1.00 0.57 C ATOM 0 H ILE A 71 -1.442 -4.335 5.952 1.00 0.21 H new ATOM 0 HA ILE A 71 -1.804 -2.993 8.423 1.00 0.21 H new ATOM 0 HB ILE A 71 0.424 -1.996 7.992 1.00 0.28 H new ATOM 0 HG12 ILE A 71 0.152 -3.393 5.337 1.00 0.43 H new ATOM 0 HG13 ILE A 71 0.475 -1.699 5.645 1.00 0.43 H new ATOM 0 HG21 ILE A 71 1.628 -4.165 8.069 1.00 0.50 H new ATOM 0 HG22 ILE A 71 0.168 -4.180 9.086 1.00 0.50 H new ATOM 0 HG23 ILE A 71 0.155 -4.987 7.500 1.00 0.50 H new ATOM 0 HD11 ILE A 71 2.501 -2.854 4.889 1.00 0.57 H new ATOM 0 HD12 ILE A 71 2.703 -2.276 6.560 1.00 0.57 H new ATOM 0 HD13 ILE A 71 2.375 -3.997 6.247 1.00 0.57 H new ATOM 960 N LEU A 72 -2.071 -1.175 5.680 1.00 0.19 N ATOM 961 CA LEU A 72 -2.594 0.092 5.171 1.00 0.24 C ATOM 962 C LEU A 72 -4.076 0.241 5.497 1.00 0.25 C ATOM 963 O LEU A 72 -4.569 1.344 5.719 1.00 0.29 O ATOM 964 CB LEU A 72 -2.403 0.216 3.666 1.00 0.39 C ATOM 965 CG LEU A 72 -1.007 0.621 3.188 1.00 0.31 C ATOM 966 CD1 LEU A 72 0.085 -0.170 3.879 1.00 0.53 C ATOM 967 CD2 LEU A 72 -0.932 0.422 1.697 1.00 0.88 C ATOM 0 H LEU A 72 -1.788 -1.836 4.957 1.00 0.19 H new ATOM 0 HA LEU A 72 -2.030 0.885 5.663 1.00 0.24 H new ATOM 0 HB2 LEU A 72 -2.656 -0.741 3.210 1.00 0.39 H new ATOM 0 HB3 LEU A 72 -3.118 0.947 3.290 1.00 0.39 H new ATOM 0 HG LEU A 72 -0.845 1.669 3.441 1.00 0.31 H new ATOM 0 HD11 LEU A 72 1.058 0.152 3.508 1.00 0.53 H new ATOM 0 HD12 LEU A 72 0.033 0.000 4.954 1.00 0.53 H new ATOM 0 HD13 LEU A 72 -0.049 -1.232 3.673 1.00 0.53 H new ATOM 0 HD21 LEU A 72 0.058 0.707 1.341 1.00 0.88 H new ATOM 0 HD22 LEU A 72 -1.115 -0.626 1.460 1.00 0.88 H new ATOM 0 HD23 LEU A 72 -1.685 1.041 1.209 1.00 0.88 H new ATOM 979 N ASP A 73 -4.786 -0.880 5.498 1.00 0.26 N ATOM 980 CA ASP A 73 -6.223 -0.877 5.749 1.00 0.31 C ATOM 981 C ASP A 73 -6.524 -0.477 7.176 1.00 0.30 C ATOM 982 O ASP A 73 -7.402 0.345 7.430 1.00 0.34 O ATOM 983 CB ASP A 73 -6.826 -2.250 5.471 1.00 0.37 C ATOM 984 CG ASP A 73 -7.978 -2.166 4.498 1.00 0.58 C ATOM 985 OD1 ASP A 73 -7.734 -1.983 3.287 1.00 0.67 O ATOM 986 OD2 ASP A 73 -9.139 -2.297 4.939 1.00 1.16 O ATOM 0 H ASP A 73 -4.390 -1.805 5.328 1.00 0.26 H new ATOM 0 HA ASP A 73 -6.670 -0.147 5.074 1.00 0.31 H new ATOM 0 HB2 ASP A 73 -6.058 -2.911 5.069 1.00 0.37 H new ATOM 0 HB3 ASP A 73 -7.170 -2.693 6.406 1.00 0.37 H new ATOM 991 N LEU A 74 -5.776 -1.052 8.104 1.00 0.28 N ATOM 992 CA LEU A 74 -5.986 -0.789 9.517 1.00 0.28 C ATOM 993 C LEU A 74 -5.508 0.609 9.883 1.00 0.27 C ATOM 994 O LEU A 74 -6.021 1.224 10.817 1.00 0.31 O ATOM 995 CB LEU A 74 -5.295 -1.849 10.379 1.00 0.30 C ATOM 996 CG LEU A 74 -6.124 -3.114 10.658 1.00 0.37 C ATOM 997 CD1 LEU A 74 -6.527 -3.813 9.367 1.00 0.72 C ATOM 998 CD2 LEU A 74 -5.349 -4.068 11.550 1.00 0.85 C ATOM 0 H LEU A 74 -5.018 -1.704 7.903 1.00 0.28 H new ATOM 0 HA LEU A 74 -7.056 -0.842 9.716 1.00 0.28 H new ATOM 0 HB2 LEU A 74 -4.367 -2.144 9.889 1.00 0.30 H new ATOM 0 HB3 LEU A 74 -5.022 -1.396 11.332 1.00 0.30 H new ATOM 0 HG LEU A 74 -7.035 -2.807 11.171 1.00 0.37 H new ATOM 0 HD11 LEU A 74 -7.111 -4.703 9.602 1.00 0.72 H new ATOM 0 HD12 LEU A 74 -7.126 -3.136 8.758 1.00 0.72 H new ATOM 0 HD13 LEU A 74 -5.633 -4.102 8.815 1.00 0.72 H new ATOM 0 HD21 LEU A 74 -5.949 -4.958 11.738 1.00 0.85 H new ATOM 0 HD22 LEU A 74 -4.420 -4.354 11.057 1.00 0.85 H new ATOM 0 HD23 LEU A 74 -5.121 -3.577 12.496 1.00 0.85 H new ATOM 1010 N VAL A 75 -4.514 1.108 9.158 1.00 0.24 N ATOM 1011 CA VAL A 75 -4.014 2.451 9.401 1.00 0.24 C ATOM 1012 C VAL A 75 -5.037 3.505 8.956 1.00 0.27 C ATOM 1013 O VAL A 75 -5.268 4.486 9.661 1.00 0.30 O ATOM 1014 CB VAL A 75 -2.655 2.709 8.704 1.00 0.23 C ATOM 1015 CG1 VAL A 75 -2.827 3.186 7.279 1.00 0.28 C ATOM 1016 CG2 VAL A 75 -1.833 3.689 9.524 1.00 0.23 C ATOM 0 H VAL A 75 -4.044 0.607 8.404 1.00 0.24 H new ATOM 0 HA VAL A 75 -3.856 2.535 10.476 1.00 0.24 H new ATOM 0 HB VAL A 75 -2.118 1.762 8.647 1.00 0.23 H new ATOM 0 HG11 VAL A 75 -1.848 3.354 6.831 1.00 0.28 H new ATOM 0 HG12 VAL A 75 -3.364 2.431 6.705 1.00 0.28 H new ATOM 0 HG13 VAL A 75 -3.393 4.117 7.273 1.00 0.28 H new ATOM 0 HG21 VAL A 75 -0.878 3.867 9.029 1.00 0.23 H new ATOM 0 HG22 VAL A 75 -2.375 4.630 9.616 1.00 0.23 H new ATOM 0 HG23 VAL A 75 -1.655 3.274 10.516 1.00 0.23 H new ATOM 1026 N GLN A 76 -5.644 3.282 7.777 1.00 0.31 N ATOM 1027 CA GLN A 76 -6.629 4.198 7.187 1.00 0.37 C ATOM 1028 C GLN A 76 -6.020 5.544 6.767 1.00 0.48 C ATOM 1029 O GLN A 76 -6.659 6.318 6.056 1.00 0.94 O ATOM 1030 CB GLN A 76 -7.803 4.414 8.142 1.00 0.40 C ATOM 1031 CG GLN A 76 -8.690 3.189 8.278 1.00 0.94 C ATOM 1032 CD GLN A 76 -9.558 3.226 9.520 1.00 1.07 C ATOM 1033 OE1 GLN A 76 -9.171 3.784 10.545 1.00 1.63 O ATOM 1034 NE2 GLN A 76 -10.740 2.637 9.436 1.00 1.56 N ATOM 0 H GLN A 76 -5.462 2.457 7.206 1.00 0.31 H new ATOM 0 HA GLN A 76 -6.991 3.721 6.276 1.00 0.37 H new ATOM 0 HB2 GLN A 76 -7.419 4.689 9.124 1.00 0.40 H new ATOM 0 HB3 GLN A 76 -8.403 5.253 7.788 1.00 0.40 H new ATOM 0 HG2 GLN A 76 -9.327 3.108 7.397 1.00 0.94 H new ATOM 0 HG3 GLN A 76 -8.066 2.296 8.303 1.00 0.94 H new ATOM 0 HE21 GLN A 76 -11.024 2.185 8.567 1.00 1.56 H new ATOM 0 HE22 GLN A 76 -11.367 2.635 10.240 1.00 1.56 H new ATOM 1043 N SER A 77 -4.793 5.828 7.198 1.00 0.40 N ATOM 1044 CA SER A 77 -4.120 7.062 6.814 1.00 0.50 C ATOM 1045 C SER A 77 -2.603 6.876 6.701 1.00 0.42 C ATOM 1046 O SER A 77 -2.049 6.909 5.601 1.00 0.39 O ATOM 1047 CB SER A 77 -4.438 8.176 7.812 1.00 0.66 C ATOM 1048 OG SER A 77 -5.816 8.503 7.793 1.00 1.44 O ATOM 0 H SER A 77 -4.248 5.222 7.811 1.00 0.40 H new ATOM 0 HA SER A 77 -4.494 7.342 5.829 1.00 0.50 H new ATOM 0 HB2 SER A 77 -4.150 7.862 8.815 1.00 0.66 H new ATOM 0 HB3 SER A 77 -3.848 9.061 7.573 1.00 0.66 H new ATOM 0 HG SER A 77 -5.992 9.217 8.441 1.00 1.44 H new ATOM 1054 N LYS A 78 -1.929 6.659 7.834 1.00 0.43 N ATOM 1055 CA LYS A 78 -0.460 6.594 7.859 1.00 0.42 C ATOM 1056 C LYS A 78 0.063 5.227 7.422 1.00 0.45 C ATOM 1057 O LYS A 78 0.914 4.628 8.074 1.00 0.95 O ATOM 1058 CB LYS A 78 0.070 6.911 9.248 1.00 0.44 C ATOM 1059 CG LYS A 78 -0.356 8.267 9.801 1.00 0.59 C ATOM 1060 CD LYS A 78 0.377 9.431 9.140 1.00 0.73 C ATOM 1061 CE LYS A 78 -0.118 9.711 7.729 1.00 1.17 C ATOM 1062 NZ LYS A 78 0.557 10.896 7.131 1.00 1.13 N ATOM 0 H LYS A 78 -2.372 6.526 8.743 1.00 0.43 H new ATOM 0 HA LYS A 78 -0.102 7.340 7.149 1.00 0.42 H new ATOM 0 HB2 LYS A 78 -0.263 6.133 9.935 1.00 0.44 H new ATOM 0 HB3 LYS A 78 1.159 6.870 9.224 1.00 0.44 H new ATOM 0 HG2 LYS A 78 -1.429 8.392 9.659 1.00 0.59 H new ATOM 0 HG3 LYS A 78 -0.172 8.290 10.875 1.00 0.59 H new ATOM 0 HD2 LYS A 78 0.252 10.326 9.749 1.00 0.73 H new ATOM 0 HD3 LYS A 78 1.444 9.213 9.110 1.00 0.73 H new ATOM 0 HE2 LYS A 78 0.059 8.837 7.102 1.00 1.17 H new ATOM 0 HE3 LYS A 78 -1.195 9.877 7.748 1.00 1.17 H new ATOM 0 HZ1 LYS A 78 -0.110 11.400 6.512 1.00 1.13 H new ATOM 0 HZ2 LYS A 78 0.876 11.533 7.889 1.00 1.13 H new ATOM 0 HZ3 LYS A 78 1.378 10.584 6.574 1.00 1.13 H new ATOM 1076 N GLY A 79 -0.476 4.757 6.327 1.00 0.34 N ATOM 1077 CA GLY A 79 -0.056 3.528 5.702 1.00 0.30 C ATOM 1078 C GLY A 79 -0.409 3.653 4.260 1.00 0.30 C ATOM 1079 O GLY A 79 0.421 3.528 3.388 1.00 0.33 O ATOM 0 H GLY A 79 -1.235 5.227 5.834 1.00 0.34 H new ATOM 0 HA2 GLY A 79 1.016 3.373 5.828 1.00 0.30 H new ATOM 0 HA3 GLY A 79 -0.557 2.671 6.153 1.00 0.30 H new ATOM 1083 N GLU A 80 -1.662 3.988 4.027 1.00 0.30 N ATOM 1084 CA GLU A 80 -2.107 4.370 2.692 1.00 0.32 C ATOM 1085 C GLU A 80 -1.199 5.465 2.111 1.00 0.32 C ATOM 1086 O GLU A 80 -0.620 5.300 1.037 1.00 0.34 O ATOM 1087 CB GLU A 80 -3.543 4.896 2.787 1.00 0.34 C ATOM 1088 CG GLU A 80 -3.990 5.736 1.599 1.00 0.42 C ATOM 1089 CD GLU A 80 -4.486 4.917 0.426 1.00 0.52 C ATOM 1090 OE1 GLU A 80 -3.667 4.184 -0.180 1.00 1.18 O ATOM 1091 OE2 GLU A 80 -5.686 4.998 0.104 1.00 0.50 O ATOM 0 H GLU A 80 -2.392 4.005 4.739 1.00 0.30 H new ATOM 0 HA GLU A 80 -2.062 3.501 2.036 1.00 0.32 H new ATOM 0 HB2 GLU A 80 -4.220 4.048 2.891 1.00 0.34 H new ATOM 0 HB3 GLU A 80 -3.638 5.493 3.694 1.00 0.34 H new ATOM 0 HG2 GLU A 80 -4.783 6.411 1.921 1.00 0.42 H new ATOM 0 HG3 GLU A 80 -3.157 6.357 1.270 1.00 0.42 H new ATOM 1098 N GLU A 81 -1.013 6.543 2.875 1.00 0.32 N ATOM 1099 CA GLU A 81 -0.278 7.705 2.386 1.00 0.35 C ATOM 1100 C GLU A 81 1.226 7.457 2.351 1.00 0.35 C ATOM 1101 O GLU A 81 1.886 7.724 1.347 1.00 0.38 O ATOM 1102 CB GLU A 81 -0.560 8.908 3.285 1.00 0.40 C ATOM 1103 CG GLU A 81 0.171 10.172 2.865 1.00 0.86 C ATOM 1104 CD GLU A 81 0.322 11.156 4.003 1.00 0.80 C ATOM 1105 OE1 GLU A 81 -0.700 11.540 4.606 1.00 1.15 O ATOM 1106 OE2 GLU A 81 1.457 11.582 4.283 1.00 1.09 O ATOM 0 H GLU A 81 -1.360 6.633 3.830 1.00 0.32 H new ATOM 0 HA GLU A 81 -0.615 7.899 1.368 1.00 0.35 H new ATOM 0 HB2 GLU A 81 -1.632 9.104 3.289 1.00 0.40 H new ATOM 0 HB3 GLU A 81 -0.278 8.659 4.308 1.00 0.40 H new ATOM 0 HG2 GLU A 81 1.157 9.908 2.483 1.00 0.86 H new ATOM 0 HG3 GLU A 81 -0.371 10.647 2.047 1.00 0.86 H new ATOM 1113 N VAL A 82 1.765 6.932 3.445 1.00 0.33 N ATOM 1114 CA VAL A 82 3.206 6.751 3.548 1.00 0.35 C ATOM 1115 C VAL A 82 3.710 5.618 2.660 1.00 0.35 C ATOM 1116 O VAL A 82 4.728 5.768 1.985 1.00 0.38 O ATOM 1117 CB VAL A 82 3.669 6.547 5.008 1.00 0.38 C ATOM 1118 CG1 VAL A 82 3.498 7.834 5.795 1.00 0.42 C ATOM 1119 CG2 VAL A 82 2.913 5.418 5.689 1.00 0.46 C ATOM 0 H VAL A 82 1.235 6.628 4.262 1.00 0.33 H new ATOM 0 HA VAL A 82 3.650 7.679 3.187 1.00 0.35 H new ATOM 0 HB VAL A 82 4.724 6.272 4.983 1.00 0.38 H new ATOM 0 HG11 VAL A 82 3.827 7.679 6.822 1.00 0.42 H new ATOM 0 HG12 VAL A 82 4.096 8.622 5.338 1.00 0.42 H new ATOM 0 HG13 VAL A 82 2.448 8.126 5.791 1.00 0.42 H new ATOM 0 HG21 VAL A 82 3.269 5.308 6.713 1.00 0.46 H new ATOM 0 HG22 VAL A 82 1.847 5.647 5.698 1.00 0.46 H new ATOM 0 HG23 VAL A 82 3.080 4.488 5.145 1.00 0.46 H new ATOM 1129 N SER A 83 2.975 4.511 2.628 1.00 0.34 N ATOM 1130 CA SER A 83 3.414 3.324 1.909 1.00 0.36 C ATOM 1131 C SER A 83 3.493 3.556 0.412 1.00 0.33 C ATOM 1132 O SER A 83 4.484 3.180 -0.222 1.00 0.32 O ATOM 1133 CB SER A 83 2.482 2.159 2.191 1.00 0.42 C ATOM 1134 OG SER A 83 2.561 1.757 3.549 1.00 1.28 O ATOM 0 H SER A 83 2.072 4.413 3.093 1.00 0.34 H new ATOM 0 HA SER A 83 4.417 3.090 2.266 1.00 0.36 H new ATOM 0 HB2 SER A 83 1.457 2.443 1.952 1.00 0.42 H new ATOM 0 HB3 SER A 83 2.739 1.320 1.545 1.00 0.42 H new ATOM 0 HG SER A 83 3.456 1.954 3.897 1.00 1.28 H new ATOM 1140 N GLU A 84 2.464 4.169 -0.168 1.00 0.32 N ATOM 1141 CA GLU A 84 2.502 4.426 -1.593 1.00 0.33 C ATOM 1142 C GLU A 84 3.619 5.406 -1.899 1.00 0.30 C ATOM 1143 O GLU A 84 4.349 5.234 -2.863 1.00 0.36 O ATOM 1144 CB GLU A 84 1.165 4.947 -2.133 1.00 0.37 C ATOM 1145 CG GLU A 84 0.736 6.297 -1.580 1.00 0.34 C ATOM 1146 CD GLU A 84 -0.410 6.900 -2.363 1.00 0.51 C ATOM 1147 OE1 GLU A 84 -1.187 6.135 -2.976 1.00 0.79 O ATOM 1148 OE2 GLU A 84 -0.556 8.139 -2.356 1.00 0.72 O ATOM 0 H GLU A 84 1.622 4.486 0.313 1.00 0.32 H new ATOM 0 HA GLU A 84 2.692 3.478 -2.097 1.00 0.33 H new ATOM 0 HB2 GLU A 84 1.231 5.019 -3.219 1.00 0.37 H new ATOM 0 HB3 GLU A 84 0.389 4.215 -1.909 1.00 0.37 H new ATOM 0 HG2 GLU A 84 0.440 6.183 -0.537 1.00 0.34 H new ATOM 0 HG3 GLU A 84 1.585 6.981 -1.598 1.00 0.34 H new ATOM 1155 N PHE A 85 3.782 6.400 -1.039 1.00 0.26 N ATOM 1156 CA PHE A 85 4.781 7.430 -1.253 1.00 0.25 C ATOM 1157 C PHE A 85 6.191 6.843 -1.208 1.00 0.23 C ATOM 1158 O PHE A 85 6.980 7.067 -2.119 1.00 0.24 O ATOM 1159 CB PHE A 85 4.626 8.532 -0.201 1.00 0.28 C ATOM 1160 CG PHE A 85 5.481 9.742 -0.451 1.00 0.36 C ATOM 1161 CD1 PHE A 85 5.215 10.580 -1.524 1.00 0.46 C ATOM 1162 CD2 PHE A 85 6.546 10.043 0.382 1.00 0.44 C ATOM 1163 CE1 PHE A 85 5.995 11.695 -1.760 1.00 0.57 C ATOM 1164 CE2 PHE A 85 7.331 11.158 0.151 1.00 0.54 C ATOM 1165 CZ PHE A 85 7.055 11.985 -0.922 1.00 0.59 C ATOM 0 H PHE A 85 3.234 6.513 -0.186 1.00 0.26 H new ATOM 0 HA PHE A 85 4.629 7.859 -2.243 1.00 0.25 H new ATOM 0 HB2 PHE A 85 3.581 8.840 -0.164 1.00 0.28 H new ATOM 0 HB3 PHE A 85 4.872 8.122 0.778 1.00 0.28 H new ATOM 0 HD1 PHE A 85 4.388 10.358 -2.183 1.00 0.46 H new ATOM 0 HD2 PHE A 85 6.766 9.400 1.221 1.00 0.44 H new ATOM 0 HE1 PHE A 85 5.777 12.340 -2.599 1.00 0.57 H new ATOM 0 HE2 PHE A 85 8.158 11.382 0.808 1.00 0.54 H new ATOM 0 HZ PHE A 85 7.667 12.856 -1.105 1.00 0.59 H new ATOM 1175 N PHE A 86 6.483 6.054 -0.175 1.00 0.23 N ATOM 1176 CA PHE A 86 7.831 5.527 0.040 1.00 0.27 C ATOM 1177 C PHE A 86 8.228 4.541 -1.063 1.00 0.29 C ATOM 1178 O PHE A 86 9.297 4.668 -1.678 1.00 0.33 O ATOM 1179 CB PHE A 86 7.887 4.831 1.407 1.00 0.30 C ATOM 1180 CG PHE A 86 9.267 4.721 2.007 1.00 0.61 C ATOM 1181 CD1 PHE A 86 10.330 4.284 1.232 1.00 1.04 C ATOM 1182 CD2 PHE A 86 9.505 5.047 3.333 1.00 1.18 C ATOM 1183 CE1 PHE A 86 11.600 4.176 1.767 1.00 1.45 C ATOM 1184 CE2 PHE A 86 10.772 4.940 3.872 1.00 1.58 C ATOM 1185 CZ PHE A 86 11.799 4.531 3.140 1.00 1.58 C ATOM 0 H PHE A 86 5.803 5.765 0.528 1.00 0.23 H new ATOM 0 HA PHE A 86 8.536 6.358 0.013 1.00 0.27 H new ATOM 0 HB2 PHE A 86 7.247 5.375 2.102 1.00 0.30 H new ATOM 0 HB3 PHE A 86 7.470 3.829 1.306 1.00 0.30 H new ATOM 0 HD1 PHE A 86 10.164 4.025 0.197 1.00 1.04 H new ATOM 0 HD2 PHE A 86 8.689 5.389 3.953 1.00 1.18 H new ATOM 0 HE1 PHE A 86 12.425 3.831 1.162 1.00 1.45 H new ATOM 0 HE2 PHE A 86 10.929 5.194 4.910 1.00 1.58 H new ATOM 0 HZ PHE A 86 12.784 4.466 3.578 1.00 1.58 H new ATOM 1195 N LEU A 87 7.364 3.570 -1.331 1.00 0.31 N ATOM 1196 CA LEU A 87 7.684 2.537 -2.306 1.00 0.36 C ATOM 1197 C LEU A 87 7.782 3.147 -3.704 1.00 0.35 C ATOM 1198 O LEU A 87 8.575 2.700 -4.533 1.00 0.39 O ATOM 1199 CB LEU A 87 6.665 1.377 -2.238 1.00 0.40 C ATOM 1200 CG LEU A 87 5.414 1.498 -3.118 1.00 0.60 C ATOM 1201 CD1 LEU A 87 5.647 0.835 -4.468 1.00 0.93 C ATOM 1202 CD2 LEU A 87 4.210 0.875 -2.428 1.00 0.83 C ATOM 0 H LEU A 87 6.448 3.477 -0.893 1.00 0.31 H new ATOM 0 HA LEU A 87 8.657 2.109 -2.066 1.00 0.36 H new ATOM 0 HB2 LEU A 87 7.181 0.456 -2.508 1.00 0.40 H new ATOM 0 HB3 LEU A 87 6.342 1.270 -1.202 1.00 0.40 H new ATOM 0 HG LEU A 87 5.211 2.557 -3.279 1.00 0.60 H new ATOM 0 HD11 LEU A 87 4.750 0.930 -5.080 1.00 0.93 H new ATOM 0 HD12 LEU A 87 6.483 1.320 -4.972 1.00 0.93 H new ATOM 0 HD13 LEU A 87 5.875 -0.221 -4.320 1.00 0.93 H new ATOM 0 HD21 LEU A 87 3.333 0.971 -3.069 1.00 0.83 H new ATOM 0 HD22 LEU A 87 4.406 -0.180 -2.237 1.00 0.83 H new ATOM 0 HD23 LEU A 87 4.027 1.387 -1.483 1.00 0.83 H new ATOM 1214 N TYR A 88 6.984 4.182 -3.939 1.00 0.34 N ATOM 1215 CA TYR A 88 7.009 4.928 -5.192 1.00 0.37 C ATOM 1216 C TYR A 88 8.255 5.789 -5.311 1.00 0.40 C ATOM 1217 O TYR A 88 8.717 6.032 -6.422 1.00 0.44 O ATOM 1218 CB TYR A 88 5.754 5.783 -5.357 1.00 0.45 C ATOM 1219 CG TYR A 88 4.531 4.999 -5.773 1.00 0.51 C ATOM 1220 CD1 TYR A 88 4.625 3.650 -6.079 1.00 0.53 C ATOM 1221 CD2 TYR A 88 3.284 5.606 -5.856 1.00 0.69 C ATOM 1222 CE1 TYR A 88 3.518 2.922 -6.455 1.00 0.65 C ATOM 1223 CE2 TYR A 88 2.167 4.887 -6.232 1.00 0.79 C ATOM 1224 CZ TYR A 88 2.287 3.546 -6.531 1.00 0.74 C ATOM 1225 OH TYR A 88 1.177 2.833 -6.910 1.00 0.89 O ATOM 0 H TYR A 88 6.301 4.528 -3.266 1.00 0.34 H new ATOM 0 HA TYR A 88 7.031 4.193 -5.996 1.00 0.37 H new ATOM 0 HB2 TYR A 88 5.545 6.291 -4.415 1.00 0.45 H new ATOM 0 HB3 TYR A 88 5.948 6.557 -6.100 1.00 0.45 H new ATOM 0 HD1 TYR A 88 5.586 3.160 -6.021 1.00 0.53 H new ATOM 0 HD2 TYR A 88 3.187 6.656 -5.623 1.00 0.69 H new ATOM 0 HE1 TYR A 88 3.611 1.872 -6.689 1.00 0.65 H new ATOM 0 HE2 TYR A 88 1.204 5.372 -6.292 1.00 0.79 H new ATOM 0 HH TYR A 88 0.382 3.215 -6.484 1.00 0.89 H new ATOM 1235 N LEU A 89 8.771 6.292 -4.183 1.00 0.41 N ATOM 1236 CA LEU A 89 9.996 7.092 -4.208 1.00 0.50 C ATOM 1237 C LEU A 89 11.061 6.331 -4.970 1.00 0.47 C ATOM 1238 O LEU A 89 11.677 6.853 -5.899 1.00 0.48 O ATOM 1239 CB LEU A 89 10.524 7.368 -2.790 1.00 0.66 C ATOM 1240 CG LEU A 89 9.596 8.143 -1.856 1.00 0.70 C ATOM 1241 CD1 LEU A 89 10.219 8.267 -0.474 1.00 1.41 C ATOM 1242 CD2 LEU A 89 9.292 9.519 -2.420 1.00 1.23 C ATOM 0 H LEU A 89 8.365 6.161 -3.256 1.00 0.41 H new ATOM 0 HA LEU A 89 9.767 8.045 -4.685 1.00 0.50 H new ATOM 0 HB2 LEU A 89 10.759 6.412 -2.321 1.00 0.66 H new ATOM 0 HB3 LEU A 89 11.460 7.920 -2.876 1.00 0.66 H new ATOM 0 HG LEU A 89 8.660 7.592 -1.771 1.00 0.70 H new ATOM 0 HD11 LEU A 89 9.546 8.822 0.180 1.00 1.41 H new ATOM 0 HD12 LEU A 89 10.389 7.273 -0.061 1.00 1.41 H new ATOM 0 HD13 LEU A 89 11.169 8.796 -0.549 1.00 1.41 H new ATOM 0 HD21 LEU A 89 8.630 10.053 -1.739 1.00 1.23 H new ATOM 0 HD22 LEU A 89 10.221 10.078 -2.536 1.00 1.23 H new ATOM 0 HD23 LEU A 89 8.807 9.415 -3.391 1.00 1.23 H new ATOM 1254 N LEU A 90 11.263 5.085 -4.573 1.00 0.46 N ATOM 1255 CA LEU A 90 12.165 4.200 -5.291 1.00 0.46 C ATOM 1256 C LEU A 90 11.611 3.810 -6.666 1.00 0.40 C ATOM 1257 O LEU A 90 12.364 3.705 -7.636 1.00 0.42 O ATOM 1258 CB LEU A 90 12.464 2.941 -4.472 1.00 0.54 C ATOM 1259 CG LEU A 90 13.318 3.162 -3.221 1.00 0.82 C ATOM 1260 CD1 LEU A 90 13.657 1.831 -2.570 1.00 1.33 C ATOM 1261 CD2 LEU A 90 14.589 3.924 -3.570 1.00 1.59 C ATOM 0 H LEU A 90 10.815 4.664 -3.759 1.00 0.46 H new ATOM 0 HA LEU A 90 13.092 4.751 -5.446 1.00 0.46 H new ATOM 0 HB2 LEU A 90 11.518 2.490 -4.171 1.00 0.54 H new ATOM 0 HB3 LEU A 90 12.970 2.221 -5.115 1.00 0.54 H new ATOM 0 HG LEU A 90 12.744 3.758 -2.512 1.00 0.82 H new ATOM 0 HD11 LEU A 90 14.265 2.005 -1.682 1.00 1.33 H new ATOM 0 HD12 LEU A 90 12.737 1.320 -2.286 1.00 1.33 H new ATOM 0 HD13 LEU A 90 14.213 1.212 -3.275 1.00 1.33 H new ATOM 0 HD21 LEU A 90 15.184 4.072 -2.669 1.00 1.59 H new ATOM 0 HD22 LEU A 90 15.167 3.353 -4.297 1.00 1.59 H new ATOM 0 HD23 LEU A 90 14.327 4.893 -3.995 1.00 1.59 H new ATOM 1273 N GLN A 91 10.297 3.594 -6.745 1.00 0.36 N ATOM 1274 CA GLN A 91 9.702 2.971 -7.925 1.00 0.35 C ATOM 1275 C GLN A 91 9.586 3.919 -9.123 1.00 0.34 C ATOM 1276 O GLN A 91 10.077 3.602 -10.207 1.00 0.40 O ATOM 1277 CB GLN A 91 8.320 2.416 -7.574 1.00 0.38 C ATOM 1278 CG GLN A 91 7.748 1.465 -8.594 1.00 0.72 C ATOM 1279 CD GLN A 91 6.247 1.329 -8.443 1.00 1.14 C ATOM 1280 OE1 GLN A 91 5.507 2.121 -9.196 1.00 1.74 O flip ATOM 1281 NE2 GLN A 91 5.755 0.503 -7.680 1.00 1.70 N flip ATOM 0 H GLN A 91 9.631 3.839 -6.012 1.00 0.36 H new ATOM 0 HA GLN A 91 10.375 2.168 -8.225 1.00 0.35 H new ATOM 0 HB2 GLN A 91 8.382 1.904 -6.614 1.00 0.38 H new ATOM 0 HB3 GLN A 91 7.630 3.250 -7.447 1.00 0.38 H new ATOM 0 HG2 GLN A 91 7.983 1.820 -9.597 1.00 0.72 H new ATOM 0 HG3 GLN A 91 8.216 0.487 -8.484 1.00 0.72 H new ATOM 0 HE21 GLN A 91 6.360 -0.092 -7.114 1.00 1.70 H new ATOM 0 HE22 GLN A 91 4.741 0.411 -7.612 1.00 1.70 H new ATOM 1290 N GLN A 92 8.991 5.096 -8.897 1.00 0.31 N ATOM 1291 CA GLN A 92 8.653 6.064 -9.962 1.00 0.36 C ATOM 1292 C GLN A 92 7.582 7.025 -9.460 1.00 0.39 C ATOM 1293 O GLN A 92 6.389 6.767 -9.607 1.00 0.42 O ATOM 1294 CB GLN A 92 8.145 5.373 -11.252 1.00 0.43 C ATOM 1295 CG GLN A 92 7.136 4.259 -11.008 1.00 0.46 C ATOM 1296 CD GLN A 92 7.033 3.294 -12.169 1.00 0.62 C ATOM 1297 OE1 GLN A 92 7.996 3.074 -12.901 1.00 0.87 O ATOM 1298 NE2 GLN A 92 5.869 2.688 -12.329 1.00 0.87 N ATOM 0 H GLN A 92 8.726 5.412 -7.964 1.00 0.31 H new ATOM 0 HA GLN A 92 9.569 6.601 -10.210 1.00 0.36 H new ATOM 0 HB2 GLN A 92 7.691 6.124 -11.898 1.00 0.43 H new ATOM 0 HB3 GLN A 92 8.999 4.963 -11.791 1.00 0.43 H new ATOM 0 HG2 GLN A 92 7.418 3.710 -10.110 1.00 0.46 H new ATOM 0 HG3 GLN A 92 6.156 4.698 -10.819 1.00 0.46 H new ATOM 0 HE21 GLN A 92 5.094 2.898 -11.700 1.00 0.87 H new ATOM 0 HE22 GLN A 92 5.746 2.010 -13.081 1.00 0.87 H new ATOM 1307 N LEU A 93 8.004 8.127 -8.860 1.00 0.48 N ATOM 1308 CA LEU A 93 7.063 9.121 -8.354 1.00 0.61 C ATOM 1309 C LEU A 93 6.205 9.686 -9.478 1.00 0.61 C ATOM 1310 O LEU A 93 4.980 9.705 -9.384 1.00 0.66 O ATOM 1311 CB LEU A 93 7.803 10.253 -7.644 1.00 0.80 C ATOM 1312 CG LEU A 93 8.380 9.889 -6.277 1.00 0.78 C ATOM 1313 CD1 LEU A 93 9.132 11.070 -5.683 1.00 1.28 C ATOM 1314 CD2 LEU A 93 7.267 9.439 -5.343 1.00 1.60 C ATOM 0 H LEU A 93 8.986 8.358 -8.711 1.00 0.48 H new ATOM 0 HA LEU A 93 6.409 8.623 -7.638 1.00 0.61 H new ATOM 0 HB2 LEU A 93 8.615 10.594 -8.285 1.00 0.80 H new ATOM 0 HB3 LEU A 93 7.119 11.093 -7.521 1.00 0.80 H new ATOM 0 HG LEU A 93 9.084 9.066 -6.403 1.00 0.78 H new ATOM 0 HD11 LEU A 93 9.536 10.792 -4.710 1.00 1.28 H new ATOM 0 HD12 LEU A 93 9.949 11.353 -6.347 1.00 1.28 H new ATOM 0 HD13 LEU A 93 8.451 11.913 -5.566 1.00 1.28 H new ATOM 0 HD21 LEU A 93 7.689 9.182 -4.371 1.00 1.60 H new ATOM 0 HD22 LEU A 93 6.544 10.246 -5.223 1.00 1.60 H new ATOM 0 HD23 LEU A 93 6.769 8.566 -5.765 1.00 1.60 H new ATOM 1326 N ALA A 94 6.850 10.135 -10.544 1.00 0.63 N ATOM 1327 CA ALA A 94 6.139 10.707 -11.676 1.00 0.73 C ATOM 1328 C ALA A 94 5.194 9.696 -12.316 1.00 0.71 C ATOM 1329 O ALA A 94 4.056 10.024 -12.649 1.00 0.78 O ATOM 1330 CB ALA A 94 7.123 11.223 -12.711 1.00 0.79 C ATOM 0 H ALA A 94 7.864 10.114 -10.648 1.00 0.63 H new ATOM 0 HA ALA A 94 5.540 11.537 -11.302 1.00 0.73 H new ATOM 0 HB1 ALA A 94 6.576 11.648 -13.553 1.00 0.79 H new ATOM 0 HB2 ALA A 94 7.753 11.991 -12.263 1.00 0.79 H new ATOM 0 HB3 ALA A 94 7.747 10.401 -13.062 1.00 0.79 H new ATOM 1336 N ASP A 95 5.663 8.464 -12.477 1.00 0.65 N ATOM 1337 CA ASP A 95 4.897 7.470 -13.217 1.00 0.67 C ATOM 1338 C ASP A 95 3.786 6.851 -12.379 1.00 0.68 C ATOM 1339 O ASP A 95 2.642 6.794 -12.803 1.00 0.71 O ATOM 1340 CB ASP A 95 5.798 6.366 -13.756 1.00 0.67 C ATOM 1341 CG ASP A 95 5.040 5.415 -14.663 1.00 0.78 C ATOM 1342 OD1 ASP A 95 4.854 5.737 -15.857 1.00 0.88 O ATOM 1343 OD2 ASP A 95 4.618 4.343 -14.184 1.00 0.87 O ATOM 0 H ASP A 95 6.556 8.133 -12.111 1.00 0.65 H new ATOM 0 HA ASP A 95 4.438 8.001 -14.051 1.00 0.67 H new ATOM 0 HB2 ASP A 95 6.628 6.810 -14.306 1.00 0.67 H new ATOM 0 HB3 ASP A 95 6.229 5.809 -12.924 1.00 0.67 H new ATOM 1348 N ALA A 96 4.126 6.401 -11.185 1.00 0.67 N ATOM 1349 CA ALA A 96 3.185 5.657 -10.362 1.00 0.72 C ATOM 1350 C ALA A 96 2.206 6.561 -9.621 1.00 0.75 C ATOM 1351 O ALA A 96 1.013 6.273 -9.551 1.00 0.83 O ATOM 1352 CB ALA A 96 3.938 4.789 -9.377 1.00 0.74 C ATOM 0 H ALA A 96 5.044 6.536 -10.763 1.00 0.67 H new ATOM 0 HA ALA A 96 2.595 5.033 -11.033 1.00 0.72 H new ATOM 0 HB1 ALA A 96 3.228 4.234 -8.764 1.00 0.74 H new ATOM 0 HB2 ALA A 96 4.573 4.089 -9.920 1.00 0.74 H new ATOM 0 HB3 ALA A 96 4.557 5.418 -8.737 1.00 0.74 H new ATOM 1358 N TYR A 97 2.719 7.649 -9.067 1.00 0.72 N ATOM 1359 CA TYR A 97 1.944 8.464 -8.141 1.00 0.76 C ATOM 1360 C TYR A 97 0.956 9.370 -8.877 1.00 0.86 C ATOM 1361 O TYR A 97 -0.231 9.387 -8.561 1.00 0.96 O ATOM 1362 CB TYR A 97 2.908 9.296 -7.290 1.00 0.71 C ATOM 1363 CG TYR A 97 2.286 9.949 -6.078 1.00 0.72 C ATOM 1364 CD1 TYR A 97 1.729 11.221 -6.153 1.00 0.90 C ATOM 1365 CD2 TYR A 97 2.277 9.302 -4.850 1.00 0.84 C ATOM 1366 CE1 TYR A 97 1.178 11.824 -5.037 1.00 1.02 C ATOM 1367 CE2 TYR A 97 1.735 9.900 -3.730 1.00 0.96 C ATOM 1368 CZ TYR A 97 1.184 11.159 -3.830 1.00 0.98 C ATOM 1369 OH TYR A 97 0.649 11.762 -2.711 1.00 1.18 O ATOM 0 H TYR A 97 3.665 7.988 -9.241 1.00 0.72 H new ATOM 0 HA TYR A 97 1.356 7.807 -7.501 1.00 0.76 H new ATOM 0 HB2 TYR A 97 3.725 8.654 -6.960 1.00 0.71 H new ATOM 0 HB3 TYR A 97 3.346 10.072 -7.918 1.00 0.71 H new ATOM 0 HD1 TYR A 97 1.727 11.746 -7.097 1.00 0.90 H new ATOM 0 HD2 TYR A 97 2.702 8.312 -4.769 1.00 0.84 H new ATOM 0 HE1 TYR A 97 0.745 12.811 -5.111 1.00 1.02 H new ATOM 0 HE2 TYR A 97 1.743 9.384 -2.781 1.00 0.96 H new ATOM 0 HH TYR A 97 0.732 11.159 -1.943 1.00 1.18 H new ATOM 1379 N VAL A 98 1.445 10.115 -9.861 1.00 0.91 N ATOM 1380 CA VAL A 98 0.594 11.043 -10.601 1.00 1.11 C ATOM 1381 C VAL A 98 -0.436 10.305 -11.460 1.00 1.30 C ATOM 1382 O VAL A 98 -1.587 10.725 -11.579 1.00 1.35 O ATOM 1383 CB VAL A 98 1.444 11.966 -11.499 1.00 1.24 C ATOM 1384 CG1 VAL A 98 0.571 12.988 -12.213 1.00 1.74 C ATOM 1385 CG2 VAL A 98 2.524 12.659 -10.680 1.00 1.72 C ATOM 0 H VAL A 98 2.419 10.097 -10.165 1.00 0.91 H new ATOM 0 HA VAL A 98 0.061 11.644 -9.864 1.00 1.11 H new ATOM 0 HB VAL A 98 1.928 11.350 -12.257 1.00 1.24 H new ATOM 0 HG11 VAL A 98 1.195 13.626 -12.839 1.00 1.74 H new ATOM 0 HG12 VAL A 98 -0.159 12.471 -12.836 1.00 1.74 H new ATOM 0 HG13 VAL A 98 0.051 13.600 -11.476 1.00 1.74 H new ATOM 0 HG21 VAL A 98 3.114 13.306 -11.329 1.00 1.72 H new ATOM 0 HG22 VAL A 98 2.059 13.258 -9.897 1.00 1.72 H new ATOM 0 HG23 VAL A 98 3.174 11.910 -10.227 1.00 1.72 H new ATOM 1395 N ASP A 99 -0.016 9.195 -12.042 1.00 1.46 N ATOM 1396 CA ASP A 99 -0.864 8.426 -12.947 1.00 1.66 C ATOM 1397 C ASP A 99 -1.912 7.611 -12.195 1.00 1.52 C ATOM 1398 O ASP A 99 -2.812 7.050 -12.796 1.00 1.56 O ATOM 1399 CB ASP A 99 -0.014 7.521 -13.835 1.00 2.08 C ATOM 1400 CG ASP A 99 -0.735 7.110 -15.102 1.00 2.73 C ATOM 1401 OD1 ASP A 99 -1.153 7.998 -15.872 1.00 3.22 O ATOM 1402 OD2 ASP A 99 -0.915 5.893 -15.318 1.00 3.00 O ATOM 0 H ASP A 99 0.915 8.801 -11.905 1.00 1.46 H new ATOM 0 HA ASP A 99 -1.399 9.137 -13.577 1.00 1.66 H new ATOM 0 HB2 ASP A 99 0.909 8.038 -14.097 1.00 2.08 H new ATOM 0 HB3 ASP A 99 0.268 6.629 -13.275 1.00 2.08 H new ATOM 1407 N LEU A 100 -1.766 7.526 -10.880 1.00 1.45 N ATOM 1408 CA LEU A 100 -2.571 6.624 -10.050 1.00 1.47 C ATOM 1409 C LEU A 100 -4.093 6.849 -10.161 1.00 1.29 C ATOM 1410 O LEU A 100 -4.870 5.958 -9.808 1.00 1.31 O ATOM 1411 CB LEU A 100 -2.150 6.767 -8.585 1.00 1.67 C ATOM 1412 CG LEU A 100 -2.713 5.704 -7.642 1.00 1.93 C ATOM 1413 CD1 LEU A 100 -2.050 4.361 -7.898 1.00 2.62 C ATOM 1414 CD2 LEU A 100 -2.537 6.123 -6.193 1.00 2.05 C ATOM 0 H LEU A 100 -1.088 8.077 -10.354 1.00 1.45 H new ATOM 0 HA LEU A 100 -2.379 5.619 -10.425 1.00 1.47 H new ATOM 0 HB2 LEU A 100 -1.062 6.738 -8.531 1.00 1.67 H new ATOM 0 HB3 LEU A 100 -2.461 7.749 -8.228 1.00 1.67 H new ATOM 0 HG LEU A 100 -3.780 5.603 -7.838 1.00 1.93 H new ATOM 0 HD11 LEU A 100 -2.463 3.616 -7.218 1.00 2.62 H new ATOM 0 HD12 LEU A 100 -2.235 4.054 -8.928 1.00 2.62 H new ATOM 0 HD13 LEU A 100 -0.976 4.448 -7.732 1.00 2.62 H new ATOM 0 HD21 LEU A 100 -2.945 5.352 -5.539 1.00 2.05 H new ATOM 0 HD22 LEU A 100 -1.477 6.257 -5.979 1.00 2.05 H new ATOM 0 HD23 LEU A 100 -3.063 7.062 -6.019 1.00 2.05 H new ATOM 1426 N ARG A 101 -4.526 8.013 -10.648 1.00 1.20 N ATOM 1427 CA ARG A 101 -5.961 8.336 -10.656 1.00 1.24 C ATOM 1428 C ARG A 101 -6.778 7.340 -11.501 1.00 1.16 C ATOM 1429 O ARG A 101 -7.740 6.761 -10.999 1.00 1.28 O ATOM 1430 CB ARG A 101 -6.232 9.765 -11.153 1.00 1.33 C ATOM 1431 CG ARG A 101 -5.881 10.869 -10.166 1.00 1.51 C ATOM 1432 CD ARG A 101 -4.382 11.077 -10.056 1.00 1.91 C ATOM 1433 NE ARG A 101 -4.058 12.388 -9.503 1.00 2.59 N ATOM 1434 CZ ARG A 101 -3.419 13.337 -10.183 1.00 3.45 C ATOM 1435 NH1 ARG A 101 -3.010 13.104 -11.422 1.00 3.87 N ATOM 1436 NH2 ARG A 101 -3.188 14.512 -9.624 1.00 4.30 N ATOM 0 H ARG A 101 -3.921 8.737 -11.035 1.00 1.20 H new ATOM 0 HA ARG A 101 -6.283 8.260 -9.618 1.00 1.24 H new ATOM 0 HB2 ARG A 101 -5.667 9.927 -12.071 1.00 1.33 H new ATOM 0 HB3 ARG A 101 -7.288 9.850 -11.409 1.00 1.33 H new ATOM 0 HG2 ARG A 101 -6.354 11.800 -10.479 1.00 1.51 H new ATOM 0 HG3 ARG A 101 -6.286 10.620 -9.185 1.00 1.51 H new ATOM 0 HD2 ARG A 101 -3.952 10.299 -9.425 1.00 1.91 H new ATOM 0 HD3 ARG A 101 -3.927 10.975 -11.041 1.00 1.91 H new ATOM 0 HE ARG A 101 -4.337 12.588 -8.542 1.00 2.59 H new ATOM 0 HH11 ARG A 101 -3.185 12.197 -11.855 1.00 3.87 H new ATOM 0 HH12 ARG A 101 -2.520 13.832 -11.943 1.00 3.87 H new ATOM 0 HH21 ARG A 101 -3.500 14.693 -8.670 1.00 4.30 H new ATOM 0 HH22 ARG A 101 -2.698 15.238 -10.147 1.00 4.30 H new ATOM 1450 N PRO A 102 -6.425 7.117 -12.790 1.00 1.08 N ATOM 1451 CA PRO A 102 -7.103 6.111 -13.615 1.00 1.12 C ATOM 1452 C PRO A 102 -6.945 4.691 -13.073 1.00 1.04 C ATOM 1453 O PRO A 102 -7.789 3.832 -13.327 1.00 1.11 O ATOM 1454 CB PRO A 102 -6.431 6.230 -14.989 1.00 1.21 C ATOM 1455 CG PRO A 102 -5.163 6.965 -14.747 1.00 1.23 C ATOM 1456 CD PRO A 102 -5.420 7.859 -13.569 1.00 1.12 C ATOM 0 HA PRO A 102 -8.178 6.289 -13.638 1.00 1.12 H new ATOM 0 HB2 PRO A 102 -6.239 5.247 -15.419 1.00 1.21 H new ATOM 0 HB3 PRO A 102 -7.068 6.767 -15.692 1.00 1.21 H new ATOM 0 HG2 PRO A 102 -4.345 6.274 -14.541 1.00 1.23 H new ATOM 0 HG3 PRO A 102 -4.876 7.547 -15.623 1.00 1.23 H new ATOM 0 HD2 PRO A 102 -4.512 8.033 -12.991 1.00 1.12 H new ATOM 0 HD3 PRO A 102 -5.793 8.835 -13.879 1.00 1.12 H new ATOM 1464 N TRP A 103 -5.868 4.444 -12.327 1.00 0.95 N ATOM 1465 CA TRP A 103 -5.620 3.114 -11.771 1.00 0.93 C ATOM 1466 C TRP A 103 -6.711 2.765 -10.769 1.00 0.89 C ATOM 1467 O TRP A 103 -7.375 1.734 -10.879 1.00 0.97 O ATOM 1468 CB TRP A 103 -4.261 3.042 -11.056 1.00 0.95 C ATOM 1469 CG TRP A 103 -3.064 3.361 -11.908 1.00 1.08 C ATOM 1470 CD1 TRP A 103 -3.043 4.040 -13.090 1.00 1.52 C ATOM 1471 CD2 TRP A 103 -1.700 3.025 -11.619 1.00 0.87 C ATOM 1472 NE1 TRP A 103 -1.756 4.149 -13.548 1.00 1.57 N ATOM 1473 CE2 TRP A 103 -0.911 3.534 -12.666 1.00 1.12 C ATOM 1474 CE3 TRP A 103 -1.068 2.345 -10.575 1.00 0.72 C ATOM 1475 CZ2 TRP A 103 0.474 3.385 -12.700 1.00 1.00 C ATOM 1476 CZ3 TRP A 103 0.307 2.197 -10.607 1.00 0.72 C ATOM 1477 CH2 TRP A 103 1.065 2.715 -11.664 1.00 0.69 C ATOM 0 H TRP A 103 -5.159 5.140 -12.095 1.00 0.95 H new ATOM 0 HA TRP A 103 -5.617 2.407 -12.601 1.00 0.93 H new ATOM 0 HB2 TRP A 103 -4.278 3.730 -10.211 1.00 0.95 H new ATOM 0 HB3 TRP A 103 -4.138 2.039 -10.648 1.00 0.95 H new ATOM 0 HD1 TRP A 103 -3.914 4.435 -13.592 1.00 1.52 H new ATOM 0 HE1 TRP A 103 -1.473 4.615 -14.410 1.00 1.57 H new ATOM 0 HE3 TRP A 103 -1.644 1.941 -9.756 1.00 0.72 H new ATOM 0 HZ2 TRP A 103 1.060 3.784 -13.515 1.00 1.00 H new ATOM 0 HZ3 TRP A 103 0.804 1.673 -9.804 1.00 0.72 H new ATOM 0 HH2 TRP A 103 2.137 2.583 -11.661 1.00 0.69 H new ATOM 1488 N LEU A 104 -6.909 3.661 -9.812 1.00 0.84 N ATOM 1489 CA LEU A 104 -7.881 3.455 -8.749 1.00 0.87 C ATOM 1490 C LEU A 104 -9.310 3.523 -9.277 1.00 1.03 C ATOM 1491 O LEU A 104 -10.198 2.875 -8.737 1.00 1.12 O ATOM 1492 CB LEU A 104 -7.652 4.438 -7.584 1.00 0.92 C ATOM 1493 CG LEU A 104 -7.713 5.933 -7.928 1.00 1.26 C ATOM 1494 CD1 LEU A 104 -9.145 6.449 -7.894 1.00 1.78 C ATOM 1495 CD2 LEU A 104 -6.837 6.731 -6.975 1.00 1.78 C ATOM 0 H LEU A 104 -6.404 4.545 -9.751 1.00 0.84 H new ATOM 0 HA LEU A 104 -7.734 2.449 -8.357 1.00 0.87 H new ATOM 0 HB2 LEU A 104 -8.396 4.234 -6.814 1.00 0.92 H new ATOM 0 HB3 LEU A 104 -6.676 4.228 -7.147 1.00 0.92 H new ATOM 0 HG LEU A 104 -7.336 6.061 -8.943 1.00 1.26 H new ATOM 0 HD11 LEU A 104 -9.155 7.510 -8.142 1.00 1.78 H new ATOM 0 HD12 LEU A 104 -9.746 5.901 -8.619 1.00 1.78 H new ATOM 0 HD13 LEU A 104 -9.560 6.305 -6.896 1.00 1.78 H new ATOM 0 HD21 LEU A 104 -6.890 7.789 -7.231 1.00 1.78 H new ATOM 0 HD22 LEU A 104 -7.187 6.587 -5.953 1.00 1.78 H new ATOM 0 HD23 LEU A 104 -5.805 6.389 -7.057 1.00 1.78 H new ATOM 1507 N LEU A 105 -9.524 4.302 -10.332 1.00 1.12 N ATOM 1508 CA LEU A 105 -10.872 4.633 -10.790 1.00 1.36 C ATOM 1509 C LEU A 105 -11.680 3.381 -11.132 1.00 1.52 C ATOM 1510 O LEU A 105 -12.881 3.321 -10.874 1.00 1.75 O ATOM 1511 CB LEU A 105 -10.793 5.550 -12.014 1.00 1.47 C ATOM 1512 CG LEU A 105 -12.127 6.128 -12.486 1.00 1.76 C ATOM 1513 CD1 LEU A 105 -12.689 7.089 -11.447 1.00 1.98 C ATOM 1514 CD2 LEU A 105 -11.957 6.823 -13.824 1.00 2.39 C ATOM 0 H LEU A 105 -8.778 4.719 -10.890 1.00 1.12 H new ATOM 0 HA LEU A 105 -11.383 5.146 -9.975 1.00 1.36 H new ATOM 0 HB2 LEU A 105 -10.119 6.376 -11.786 1.00 1.47 H new ATOM 0 HB3 LEU A 105 -10.346 4.992 -12.837 1.00 1.47 H new ATOM 0 HG LEU A 105 -12.836 5.310 -12.612 1.00 1.76 H new ATOM 0 HD11 LEU A 105 -13.639 7.491 -11.799 1.00 1.98 H new ATOM 0 HD12 LEU A 105 -12.846 6.558 -10.508 1.00 1.98 H new ATOM 0 HD13 LEU A 105 -11.985 7.906 -11.289 1.00 1.98 H new ATOM 0 HD21 LEU A 105 -12.915 7.229 -14.147 1.00 2.39 H new ATOM 0 HD22 LEU A 105 -11.234 7.633 -13.724 1.00 2.39 H new ATOM 0 HD23 LEU A 105 -11.599 6.107 -14.563 1.00 2.39 H new ATOM 1526 N GLU A 106 -11.018 2.380 -11.692 1.00 1.49 N ATOM 1527 CA GLU A 106 -11.694 1.155 -12.101 1.00 1.76 C ATOM 1528 C GLU A 106 -12.173 0.348 -10.896 1.00 1.76 C ATOM 1529 O GLU A 106 -13.313 -0.118 -10.857 1.00 2.02 O ATOM 1530 CB GLU A 106 -10.763 0.301 -12.956 1.00 1.86 C ATOM 1531 CG GLU A 106 -10.213 1.024 -14.169 1.00 2.09 C ATOM 1532 CD GLU A 106 -9.487 0.085 -15.107 1.00 2.61 C ATOM 1533 OE1 GLU A 106 -10.162 -0.680 -15.832 1.00 2.89 O ATOM 1534 OE2 GLU A 106 -8.241 0.092 -15.124 1.00 2.91 O ATOM 0 H GLU A 106 -10.014 2.390 -11.874 1.00 1.49 H new ATOM 0 HA GLU A 106 -12.568 1.440 -12.686 1.00 1.76 H new ATOM 0 HB2 GLU A 106 -9.931 -0.041 -12.340 1.00 1.86 H new ATOM 0 HB3 GLU A 106 -11.301 -0.587 -13.287 1.00 1.86 H new ATOM 0 HG2 GLU A 106 -11.030 1.510 -14.703 1.00 2.09 H new ATOM 0 HG3 GLU A 106 -9.532 1.811 -13.844 1.00 2.09 H new ATOM 1541 N ILE A 107 -11.301 0.200 -9.907 1.00 1.51 N ATOM 1542 CA ILE A 107 -11.591 -0.633 -8.744 1.00 1.56 C ATOM 1543 C ILE A 107 -12.320 0.170 -7.662 1.00 1.62 C ATOM 1544 O ILE A 107 -13.051 -0.384 -6.840 1.00 1.82 O ATOM 1545 CB ILE A 107 -10.278 -1.245 -8.187 1.00 1.47 C ATOM 1546 CG1 ILE A 107 -10.522 -2.103 -6.942 1.00 1.98 C ATOM 1547 CG2 ILE A 107 -9.278 -0.149 -7.876 1.00 2.24 C ATOM 1548 CD1 ILE A 107 -11.509 -3.231 -7.153 1.00 2.47 C ATOM 0 H ILE A 107 -10.384 0.647 -9.886 1.00 1.51 H new ATOM 0 HA ILE A 107 -12.250 -1.444 -9.055 1.00 1.56 H new ATOM 0 HB ILE A 107 -9.873 -1.898 -8.960 1.00 1.47 H new ATOM 0 HG12 ILE A 107 -9.572 -2.523 -6.611 1.00 1.98 H new ATOM 0 HG13 ILE A 107 -10.885 -1.463 -6.138 1.00 1.98 H new ATOM 0 HG21 ILE A 107 -8.362 -0.592 -7.486 1.00 2.24 H new ATOM 0 HG22 ILE A 107 -9.053 0.407 -8.786 1.00 2.24 H new ATOM 0 HG23 ILE A 107 -9.699 0.527 -7.132 1.00 2.24 H new ATOM 0 HD11 ILE A 107 -11.626 -3.790 -6.225 1.00 2.47 H new ATOM 0 HD12 ILE A 107 -12.473 -2.820 -7.453 1.00 2.47 H new ATOM 0 HD13 ILE A 107 -11.140 -3.896 -7.933 1.00 2.47 H new ATOM 1560 N GLY A 108 -12.138 1.481 -7.686 1.00 1.55 N ATOM 1561 CA GLY A 108 -12.833 2.350 -6.758 1.00 1.84 C ATOM 1562 C GLY A 108 -14.206 2.742 -7.267 1.00 1.65 C ATOM 1563 O GLY A 108 -14.976 3.383 -6.548 1.00 2.19 O ATOM 0 H GLY A 108 -11.517 1.962 -8.336 1.00 1.55 H new ATOM 0 HA2 GLY A 108 -12.933 1.847 -5.796 1.00 1.84 H new ATOM 0 HA3 GLY A 108 -12.239 3.248 -6.588 1.00 1.84 H new ATOM 1567 N PHE A 109 -14.499 2.338 -8.509 1.00 1.90 N ATOM 1568 CA PHE A 109 -15.778 2.612 -9.167 1.00 2.74 C ATOM 1569 C PHE A 109 -15.916 4.090 -9.520 1.00 3.47 C ATOM 1570 O PHE A 109 -16.025 4.945 -8.638 1.00 4.14 O ATOM 1571 CB PHE A 109 -16.959 2.151 -8.304 1.00 3.42 C ATOM 1572 CG PHE A 109 -17.009 0.662 -8.101 1.00 4.00 C ATOM 1573 CD1 PHE A 109 -16.354 0.076 -7.033 1.00 4.67 C ATOM 1574 CD2 PHE A 109 -17.711 -0.149 -8.978 1.00 4.33 C ATOM 1575 CE1 PHE A 109 -16.398 -1.292 -6.841 1.00 5.60 C ATOM 1576 CE2 PHE A 109 -17.759 -1.516 -8.792 1.00 5.24 C ATOM 1577 CZ PHE A 109 -17.101 -2.090 -7.733 1.00 5.86 C ATOM 0 H PHE A 109 -13.848 1.808 -9.088 1.00 1.90 H new ATOM 0 HA PHE A 109 -15.793 2.040 -10.095 1.00 2.74 H new ATOM 0 HB2 PHE A 109 -16.901 2.640 -7.332 1.00 3.42 H new ATOM 0 HB3 PHE A 109 -17.889 2.477 -8.770 1.00 3.42 H new ATOM 0 HD1 PHE A 109 -15.802 0.695 -6.341 1.00 4.67 H new ATOM 0 HD2 PHE A 109 -18.227 0.294 -9.817 1.00 4.33 H new ATOM 0 HE1 PHE A 109 -15.887 -1.738 -6.000 1.00 5.60 H new ATOM 0 HE2 PHE A 109 -18.315 -2.135 -9.481 1.00 5.24 H new ATOM 0 HZ PHE A 109 -17.130 -3.161 -7.594 1.00 5.86 H new ATOM 1587 N SER A 110 -15.898 4.377 -10.819 1.00 3.90 N ATOM 1588 CA SER A 110 -16.012 5.741 -11.319 1.00 5.06 C ATOM 1589 C SER A 110 -17.302 6.383 -10.815 1.00 5.73 C ATOM 1590 O SER A 110 -17.217 7.393 -10.087 1.00 6.28 O ATOM 1591 CB SER A 110 -15.967 5.746 -12.853 1.00 5.62 C ATOM 1592 OG SER A 110 -15.798 7.061 -13.371 1.00 5.57 O ATOM 0 H SER A 110 -15.804 3.673 -11.551 1.00 3.90 H new ATOM 0 HA SER A 110 -15.171 6.325 -10.947 1.00 5.06 H new ATOM 0 HB2 SER A 110 -15.149 5.112 -13.195 1.00 5.62 H new ATOM 0 HB3 SER A 110 -16.889 5.316 -13.245 1.00 5.62 H new ATOM 0 HG SER A 110 -15.772 7.026 -14.350 1.00 5.57 H new TER 1598 SER A 110