USER MOD reduce.3.24.130724 H: found=0, std=0, add=1011, rem=0, adj=27 USER MOD reduce.3.24.130724 removed 1012 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 93 ASN : amide:sc= 0 X(o=0.14,f=0.14) USER MOD Set 1.2: A 95 THR OG1 : rot 180:sc= 0.137 USER MOD Set 2.1: A 38 HIS : no HD1:sc= -7.92! C(o=-9.1!,f=-11!) USER MOD Set 2.2: A 87 HIS : no HD1:sc= -1.2 X(o=-9.1,f=-9.2) USER MOD Single : A 2 SER OG : rot 180:sc= 0 USER MOD Single : A 3 HIS : no HD1:sc= -0.827 X(o=-0.83,f=-1.3) USER MOD Single : A 4 SER OG : rot 22:sc= 0.257 USER MOD Single : A 11 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 13 SER OG : rot 180:sc= 0 USER MOD Single : A 19 ASN : amide:sc= -0.13 K(o=-0.13,f=-1.3!) USER MOD Single : A 23 SER OG : rot 180:sc= 0 USER MOD Single : A 28 THR OG1 : rot 180:sc= 0 USER MOD Single : A 31 SER OG : rot 115:sc= 2.1 USER MOD Single : A 32 THR OG1 : rot -78:sc= -0.11 USER MOD Single : A 36 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 39 THR OG1 : rot 180:sc= 0 USER MOD Single : A 43 SER OG : rot 37:sc= -0.851 USER MOD Single : A 44 THR OG1 : rot -56:sc= 0.226 USER MOD Single : A 47 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 49 GLN : amide:sc= -0.76 K(o=-0.76,f=-1.6) USER MOD Single : A 51 THR OG1 : rot 50:sc= 0.936 USER MOD Single : A 54 SER OG : rot 180:sc= 0.0172 USER MOD Single : A 55 SER OG : rot 180:sc= 0 USER MOD Single : A 57 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 58 MET CE :methyl -112:sc= -1.98 (180deg=-2.91!) USER MOD Single : A 59 MET CE :methyl 152:sc= -4.64! (180deg=-7.41!) USER MOD Single : A 65 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 69 SER OG : rot 180:sc= 0 USER MOD Single : A 70 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 71 LYS NZ :NH3+ -123:sc= -0.253 (180deg=-1.32!) USER MOD Single : A 73 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 75 ASN : amide:sc= -0.314 X(o=-0.31,f=-0.77) USER MOD Single : A 78 ASN : amide:sc= -0.129 X(o=-0.13,f=0) USER MOD Single : A 83 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 85 GLN : amide:sc= 0 X(o=0,f=-0.029) USER MOD Single : A 88 MET CE :methyl -133:sc= -5.03! (180deg=-9.19!) USER MOD Single : A 90 SER OG : rot 180:sc= 0 USER MOD Single : A 92 ASN : amide:sc= 0 X(o=0,f=0.25) USER MOD Single : A 97 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 99 ASN : amide:sc= 0 X(o=0,f=-0.094) USER MOD Single : A 101 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 102 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 103 THR OG1 : rot 99:sc= 1.11 USER MOD Single : A 105 GLN :FLIP amide:sc= -1.78 F(o=-2.7,f=-1.8) USER MOD Single : A 106 GLN : amide:sc= 0.647 K(o=0.65,f=-0.4) USER MOD Single : A 109 SER OG : rot 180:sc= 0 USER MOD Single : A 111 TYR OH : rot 26:sc= -3.44 USER MOD Single : A 112 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : B 90 TYR OH : rot 180:sc= 0 USER MOD Single : B 92 SER OG : rot -49:sc= -0.0332 USER MOD Single : B 99 THR OG1 : rot 180:sc= 0 USER MOD Single : B 102 ASN : amide:sc= -0.0232 K(o=-0.023,f=-0.79) USER MOD ----------------------------------------------------------------- ATOM 1 N PRO A 1 -12.646 12.873 9.239 1.00 0.00 N ATOM 2 CA PRO A 1 -12.419 11.878 8.156 1.00 0.00 C ATOM 3 C PRO A 1 -11.169 12.206 7.338 1.00 0.00 C ATOM 4 O PRO A 1 -11.168 12.089 6.113 1.00 0.00 O ATOM 5 CB PRO A 1 -13.658 11.876 7.266 1.00 0.00 C ATOM 6 CG PRO A 1 -14.494 12.995 7.790 1.00 0.00 C ATOM 7 CD PRO A 1 -14.083 13.193 9.229 1.00 0.00 C ATOM 0 H2 PRO A 1 -12.088 13.712 9.082 1.00 0.00 H new ATOM 0 H3 PRO A 1 -12.366 12.493 10.143 1.00 0.00 H new ATOM 0 HA PRO A 1 -12.254 10.893 8.592 1.00 0.00 H new ATOM 0 HB2 PRO A 1 -13.396 12.032 6.220 1.00 0.00 H new ATOM 0 HB3 PRO A 1 -14.187 10.925 7.323 1.00 0.00 H new ATOM 0 HG2 PRO A 1 -14.333 13.904 7.211 1.00 0.00 H new ATOM 0 HG3 PRO A 1 -15.555 12.755 7.718 1.00 0.00 H new ATOM 0 HD2 PRO A 1 -14.266 14.216 9.559 1.00 0.00 H new ATOM 0 HD3 PRO A 1 -14.642 12.538 9.897 1.00 0.00 H new ATOM 17 N SER A 2 -10.108 12.614 8.026 1.00 0.00 N ATOM 18 CA SER A 2 -8.854 12.957 7.365 1.00 0.00 C ATOM 19 C SER A 2 -7.847 11.817 7.483 1.00 0.00 C ATOM 20 O SER A 2 -6.638 12.046 7.526 1.00 0.00 O ATOM 21 CB SER A 2 -8.269 14.235 7.969 1.00 0.00 C ATOM 22 OG SER A 2 -8.947 15.383 7.489 1.00 0.00 O ATOM 0 H SER A 2 -10.091 12.715 9.041 1.00 0.00 H new ATOM 0 HA SER A 2 -9.063 13.125 6.308 1.00 0.00 H new ATOM 0 HB2 SER A 2 -8.342 14.194 9.056 1.00 0.00 H new ATOM 0 HB3 SER A 2 -7.209 14.305 7.723 1.00 0.00 H new ATOM 0 HG SER A 2 -8.555 16.186 7.891 1.00 0.00 H new ATOM 28 N HIS A 3 -8.352 10.590 7.533 1.00 0.00 N ATOM 29 CA HIS A 3 -7.497 9.414 7.645 1.00 0.00 C ATOM 30 C HIS A 3 -8.323 8.132 7.592 1.00 0.00 C ATOM 31 O HIS A 3 -8.151 7.237 8.419 1.00 0.00 O ATOM 32 CB HIS A 3 -6.686 9.467 8.943 1.00 0.00 C ATOM 33 CG HIS A 3 -7.520 9.336 10.180 1.00 0.00 C ATOM 34 ND1 HIS A 3 -8.687 10.042 10.382 1.00 0.00 N ATOM 35 CD2 HIS A 3 -7.349 8.571 11.285 1.00 0.00 C ATOM 36 CE1 HIS A 3 -9.198 9.720 11.557 1.00 0.00 C ATOM 37 NE2 HIS A 3 -8.405 8.829 12.124 1.00 0.00 N ATOM 0 H HIS A 3 -9.350 10.383 7.498 1.00 0.00 H new ATOM 0 HA HIS A 3 -6.810 9.413 6.799 1.00 0.00 H new ATOM 0 HB2 HIS A 3 -5.944 8.669 8.930 1.00 0.00 H new ATOM 0 HB3 HIS A 3 -6.140 10.410 8.982 1.00 0.00 H new ATOM 0 HD2 HIS A 3 -6.535 7.886 11.471 1.00 0.00 H new ATOM 0 HE1 HIS A 3 -10.108 10.117 11.981 1.00 0.00 H new ATOM 0 HE2 HIS A 3 -8.553 8.401 13.038 1.00 0.00 H new ATOM 46 N SER A 4 -9.219 8.051 6.614 1.00 0.00 N ATOM 47 CA SER A 4 -10.069 6.877 6.454 1.00 0.00 C ATOM 48 C SER A 4 -10.974 7.016 5.233 1.00 0.00 C ATOM 49 O SER A 4 -11.658 8.026 5.067 1.00 0.00 O ATOM 50 CB SER A 4 -10.918 6.663 7.709 1.00 0.00 C ATOM 51 OG SER A 4 -11.743 7.787 7.965 1.00 0.00 O ATOM 0 H SER A 4 -9.375 8.783 5.921 1.00 0.00 H new ATOM 0 HA SER A 4 -9.423 6.012 6.306 1.00 0.00 H new ATOM 0 HB2 SER A 4 -11.537 5.774 7.586 1.00 0.00 H new ATOM 0 HB3 SER A 4 -10.268 6.483 8.565 1.00 0.00 H new ATOM 0 HG SER A 4 -11.871 8.294 7.136 1.00 0.00 H new ATOM 57 N GLY A 5 -10.978 5.992 4.385 1.00 0.00 N ATOM 58 CA GLY A 5 -11.805 6.013 3.197 1.00 0.00 C ATOM 59 C GLY A 5 -12.254 4.622 2.804 1.00 0.00 C ATOM 60 O GLY A 5 -11.632 3.636 3.193 1.00 0.00 O ATOM 0 H GLY A 5 -10.420 5.146 4.502 1.00 0.00 H new ATOM 0 HA2 GLY A 5 -12.678 6.641 3.372 1.00 0.00 H new ATOM 0 HA3 GLY A 5 -11.249 6.462 2.374 1.00 0.00 H new ATOM 64 N ALA A 6 -13.332 4.534 2.037 1.00 0.00 N ATOM 65 CA ALA A 6 -13.845 3.240 1.609 1.00 0.00 C ATOM 66 C ALA A 6 -12.920 2.610 0.575 1.00 0.00 C ATOM 67 O ALA A 6 -12.884 3.029 -0.582 1.00 0.00 O ATOM 68 CB ALA A 6 -15.254 3.386 1.058 1.00 0.00 C ATOM 0 H ALA A 6 -13.865 5.336 1.701 1.00 0.00 H new ATOM 0 HA ALA A 6 -13.882 2.578 2.474 1.00 0.00 H new ATOM 0 HB1 ALA A 6 -15.624 2.411 0.742 1.00 0.00 H new ATOM 0 HB2 ALA A 6 -15.907 3.789 1.832 1.00 0.00 H new ATOM 0 HB3 ALA A 6 -15.242 4.063 0.204 1.00 0.00 H new ATOM 74 N ALA A 7 -12.165 1.604 1.008 1.00 0.00 N ATOM 75 CA ALA A 7 -11.226 0.917 0.129 1.00 0.00 C ATOM 76 C ALA A 7 -11.688 -0.506 -0.170 1.00 0.00 C ATOM 77 O ALA A 7 -12.421 -1.108 0.614 1.00 0.00 O ATOM 78 CB ALA A 7 -9.835 0.906 0.751 1.00 0.00 C ATOM 0 H ALA A 7 -12.186 1.247 1.963 1.00 0.00 H new ATOM 0 HA ALA A 7 -11.187 1.460 -0.815 1.00 0.00 H new ATOM 0 HB1 ALA A 7 -9.143 0.390 0.085 1.00 0.00 H new ATOM 0 HB2 ALA A 7 -9.496 1.931 0.903 1.00 0.00 H new ATOM 0 HB3 ALA A 7 -9.869 0.389 1.710 1.00 0.00 H new ATOM 84 N ILE A 8 -11.256 -1.040 -1.311 1.00 0.00 N ATOM 85 CA ILE A 8 -11.627 -2.393 -1.713 1.00 0.00 C ATOM 86 C ILE A 8 -10.503 -3.382 -1.414 1.00 0.00 C ATOM 87 O ILE A 8 -9.323 -3.055 -1.540 1.00 0.00 O ATOM 88 CB ILE A 8 -11.994 -2.452 -3.215 1.00 0.00 C ATOM 89 CG1 ILE A 8 -13.436 -1.988 -3.417 1.00 0.00 C ATOM 90 CG2 ILE A 8 -11.808 -3.853 -3.784 1.00 0.00 C ATOM 91 CD1 ILE A 8 -13.544 -0.719 -4.219 1.00 0.00 C ATOM 0 H ILE A 8 -10.649 -0.556 -1.972 1.00 0.00 H new ATOM 0 HA ILE A 8 -12.505 -2.674 -1.131 1.00 0.00 H new ATOM 0 HB ILE A 8 -11.319 -1.785 -3.752 1.00 0.00 H new ATOM 0 HG12 ILE A 8 -13.997 -2.776 -3.919 1.00 0.00 H new ATOM 0 HG13 ILE A 8 -13.901 -1.835 -2.443 1.00 0.00 H new ATOM 0 HG21 ILE A 8 -12.076 -3.855 -4.841 1.00 0.00 H new ATOM 0 HG22 ILE A 8 -10.767 -4.156 -3.673 1.00 0.00 H new ATOM 0 HG23 ILE A 8 -12.448 -4.552 -3.246 1.00 0.00 H new ATOM 0 HD11 ILE A 8 -14.593 -0.444 -4.326 1.00 0.00 H new ATOM 0 HD12 ILE A 8 -13.010 0.081 -3.707 1.00 0.00 H new ATOM 0 HD13 ILE A 8 -13.107 -0.874 -5.206 1.00 0.00 H new ATOM 103 N PHE A 9 -10.883 -4.595 -1.024 1.00 0.00 N ATOM 104 CA PHE A 9 -9.915 -5.641 -0.713 1.00 0.00 C ATOM 105 C PHE A 9 -10.490 -7.012 -1.043 1.00 0.00 C ATOM 106 O PHE A 9 -11.590 -7.352 -0.613 1.00 0.00 O ATOM 107 CB PHE A 9 -9.520 -5.580 0.764 1.00 0.00 C ATOM 108 CG PHE A 9 -8.403 -6.518 1.124 1.00 0.00 C ATOM 109 CD1 PHE A 9 -7.178 -6.436 0.483 1.00 0.00 C ATOM 110 CD2 PHE A 9 -8.580 -7.481 2.104 1.00 0.00 C ATOM 111 CE1 PHE A 9 -6.149 -7.297 0.811 1.00 0.00 C ATOM 112 CE2 PHE A 9 -7.554 -8.346 2.438 1.00 0.00 C ATOM 113 CZ PHE A 9 -6.338 -8.254 1.790 1.00 0.00 C ATOM 0 H PHE A 9 -11.857 -4.878 -0.916 1.00 0.00 H new ATOM 0 HA PHE A 9 -9.025 -5.478 -1.321 1.00 0.00 H new ATOM 0 HB2 PHE A 9 -9.222 -4.561 1.011 1.00 0.00 H new ATOM 0 HB3 PHE A 9 -10.392 -5.814 1.375 1.00 0.00 H new ATOM 0 HD1 PHE A 9 -7.026 -5.690 -0.283 1.00 0.00 H new ATOM 0 HD2 PHE A 9 -9.530 -7.557 2.613 1.00 0.00 H new ATOM 0 HE1 PHE A 9 -5.199 -7.223 0.303 1.00 0.00 H new ATOM 0 HE2 PHE A 9 -7.703 -9.092 3.204 1.00 0.00 H new ATOM 0 HZ PHE A 9 -5.536 -8.929 2.048 1.00 0.00 H new ATOM 123 N GLU A 10 -9.746 -7.796 -1.815 1.00 0.00 N ATOM 124 CA GLU A 10 -10.193 -9.127 -2.207 1.00 0.00 C ATOM 125 C GLU A 10 -11.428 -9.040 -3.101 1.00 0.00 C ATOM 126 O GLU A 10 -12.274 -9.934 -3.098 1.00 0.00 O ATOM 127 CB GLU A 10 -10.501 -9.976 -0.971 1.00 0.00 C ATOM 128 CG GLU A 10 -9.348 -10.056 0.015 1.00 0.00 C ATOM 129 CD GLU A 10 -9.127 -11.459 0.544 1.00 0.00 C ATOM 130 OE1 GLU A 10 -10.091 -12.056 1.068 1.00 0.00 O ATOM 131 OE2 GLU A 10 -7.989 -11.964 0.433 1.00 0.00 O ATOM 0 H GLU A 10 -8.831 -7.533 -2.182 1.00 0.00 H new ATOM 0 HA GLU A 10 -9.389 -9.602 -2.768 1.00 0.00 H new ATOM 0 HB2 GLU A 10 -11.373 -9.562 -0.465 1.00 0.00 H new ATOM 0 HB3 GLU A 10 -10.766 -10.984 -1.290 1.00 0.00 H new ATOM 0 HG2 GLU A 10 -8.436 -9.707 -0.470 1.00 0.00 H new ATOM 0 HG3 GLU A 10 -9.542 -9.384 0.850 1.00 0.00 H new ATOM 138 N LYS A 11 -11.516 -7.952 -3.868 1.00 0.00 N ATOM 139 CA LYS A 11 -12.638 -7.727 -4.783 1.00 0.00 C ATOM 140 C LYS A 11 -13.867 -7.177 -4.060 1.00 0.00 C ATOM 141 O LYS A 11 -14.874 -6.862 -4.695 1.00 0.00 O ATOM 142 CB LYS A 11 -13.004 -9.016 -5.526 1.00 0.00 C ATOM 143 CG LYS A 11 -11.796 -9.820 -5.984 1.00 0.00 C ATOM 144 CD LYS A 11 -11.822 -10.065 -7.485 1.00 0.00 C ATOM 145 CE LYS A 11 -13.042 -10.873 -7.897 1.00 0.00 C ATOM 146 NZ LYS A 11 -13.470 -10.563 -9.289 1.00 0.00 N ATOM 0 H LYS A 11 -10.819 -7.208 -3.874 1.00 0.00 H new ATOM 0 HA LYS A 11 -12.311 -6.979 -5.505 1.00 0.00 H new ATOM 0 HB2 LYS A 11 -13.618 -9.638 -4.875 1.00 0.00 H new ATOM 0 HB3 LYS A 11 -13.613 -8.764 -6.394 1.00 0.00 H new ATOM 0 HG2 LYS A 11 -10.882 -9.289 -5.717 1.00 0.00 H new ATOM 0 HG3 LYS A 11 -11.774 -10.775 -5.459 1.00 0.00 H new ATOM 0 HD2 LYS A 11 -11.822 -9.110 -8.011 1.00 0.00 H new ATOM 0 HD3 LYS A 11 -10.917 -10.593 -7.784 1.00 0.00 H new ATOM 0 HE2 LYS A 11 -12.818 -11.936 -7.815 1.00 0.00 H new ATOM 0 HE3 LYS A 11 -13.863 -10.666 -7.210 1.00 0.00 H new ATOM 0 HZ1 LYS A 11 -14.304 -11.135 -9.531 1.00 0.00 H new ATOM 0 HZ2 LYS A 11 -13.709 -9.553 -9.362 1.00 0.00 H new ATOM 0 HZ3 LYS A 11 -12.696 -10.784 -9.948 1.00 0.00 H new ATOM 160 N VAL A 12 -13.790 -7.053 -2.736 1.00 0.00 N ATOM 161 CA VAL A 12 -14.906 -6.530 -1.961 1.00 0.00 C ATOM 162 C VAL A 12 -14.615 -5.112 -1.487 1.00 0.00 C ATOM 163 O VAL A 12 -13.462 -4.756 -1.245 1.00 0.00 O ATOM 164 CB VAL A 12 -15.223 -7.428 -0.746 1.00 0.00 C ATOM 165 CG1 VAL A 12 -14.125 -7.351 0.308 1.00 0.00 C ATOM 166 CG2 VAL A 12 -16.572 -7.060 -0.146 1.00 0.00 C ATOM 0 H VAL A 12 -12.971 -7.307 -2.184 1.00 0.00 H new ATOM 0 HA VAL A 12 -15.777 -6.518 -2.616 1.00 0.00 H new ATOM 0 HB VAL A 12 -15.269 -8.458 -1.098 1.00 0.00 H new ATOM 0 HG11 VAL A 12 -14.382 -7.996 1.149 1.00 0.00 H new ATOM 0 HG12 VAL A 12 -13.181 -7.679 -0.126 1.00 0.00 H new ATOM 0 HG13 VAL A 12 -14.026 -6.323 0.656 1.00 0.00 H new ATOM 0 HG21 VAL A 12 -16.778 -7.704 0.709 1.00 0.00 H new ATOM 0 HG22 VAL A 12 -16.554 -6.020 0.179 1.00 0.00 H new ATOM 0 HG23 VAL A 12 -17.352 -7.192 -0.896 1.00 0.00 H new ATOM 176 N SER A 13 -15.658 -4.304 -1.361 1.00 0.00 N ATOM 177 CA SER A 13 -15.488 -2.929 -0.919 1.00 0.00 C ATOM 178 C SER A 13 -15.762 -2.793 0.571 1.00 0.00 C ATOM 179 O SER A 13 -16.850 -3.115 1.048 1.00 0.00 O ATOM 180 CB SER A 13 -16.403 -1.991 -1.701 1.00 0.00 C ATOM 181 OG SER A 13 -16.655 -2.488 -3.004 1.00 0.00 O ATOM 0 H SER A 13 -16.622 -4.574 -1.557 1.00 0.00 H new ATOM 0 HA SER A 13 -14.451 -2.650 -1.108 1.00 0.00 H new ATOM 0 HB2 SER A 13 -17.345 -1.869 -1.167 1.00 0.00 H new ATOM 0 HB3 SER A 13 -15.945 -1.004 -1.768 1.00 0.00 H new ATOM 0 HG SER A 13 -17.245 -1.868 -3.482 1.00 0.00 H new ATOM 187 N GLY A 14 -14.765 -2.308 1.298 1.00 0.00 N ATOM 188 CA GLY A 14 -14.908 -2.126 2.727 1.00 0.00 C ATOM 189 C GLY A 14 -14.602 -0.707 3.149 1.00 0.00 C ATOM 190 O GLY A 14 -14.940 0.244 2.445 1.00 0.00 O ATOM 0 H GLY A 14 -13.857 -2.037 0.921 1.00 0.00 H new ATOM 0 HA2 GLY A 14 -15.925 -2.382 3.025 1.00 0.00 H new ATOM 0 HA3 GLY A 14 -14.240 -2.812 3.249 1.00 0.00 H new ATOM 194 N ILE A 15 -13.956 -0.561 4.297 1.00 0.00 N ATOM 195 CA ILE A 15 -13.599 0.755 4.804 1.00 0.00 C ATOM 196 C ILE A 15 -12.165 0.774 5.299 1.00 0.00 C ATOM 197 O ILE A 15 -11.806 0.040 6.213 1.00 0.00 O ATOM 198 CB ILE A 15 -14.517 1.190 5.960 1.00 0.00 C ATOM 199 CG1 ILE A 15 -15.972 0.810 5.661 1.00 0.00 C ATOM 200 CG2 ILE A 15 -14.379 2.686 6.212 1.00 0.00 C ATOM 201 CD1 ILE A 15 -16.635 1.670 4.608 1.00 0.00 C ATOM 0 H ILE A 15 -13.669 -1.337 4.894 1.00 0.00 H new ATOM 0 HA ILE A 15 -13.717 1.450 3.973 1.00 0.00 H new ATOM 0 HB ILE A 15 -14.213 0.666 6.866 1.00 0.00 H new ATOM 0 HG12 ILE A 15 -16.005 -0.230 5.337 1.00 0.00 H new ATOM 0 HG13 ILE A 15 -16.549 0.875 6.583 1.00 0.00 H new ATOM 0 HG21 ILE A 15 -15.034 2.979 7.032 1.00 0.00 H new ATOM 0 HG22 ILE A 15 -13.346 2.917 6.472 1.00 0.00 H new ATOM 0 HG23 ILE A 15 -14.658 3.234 5.312 1.00 0.00 H new ATOM 0 HD11 ILE A 15 -17.661 1.334 4.457 1.00 0.00 H new ATOM 0 HD12 ILE A 15 -16.638 2.709 4.936 1.00 0.00 H new ATOM 0 HD13 ILE A 15 -16.085 1.587 3.671 1.00 0.00 H new ATOM 213 N ILE A 16 -11.356 1.633 4.708 1.00 0.00 N ATOM 214 CA ILE A 16 -9.968 1.760 5.107 1.00 0.00 C ATOM 215 C ILE A 16 -9.825 2.923 6.076 1.00 0.00 C ATOM 216 O ILE A 16 -10.212 4.047 5.769 1.00 0.00 O ATOM 217 CB ILE A 16 -9.045 1.939 3.874 1.00 0.00 C ATOM 218 CG1 ILE A 16 -8.328 0.625 3.566 1.00 0.00 C ATOM 219 CG2 ILE A 16 -8.027 3.055 4.067 1.00 0.00 C ATOM 220 CD1 ILE A 16 -7.350 0.718 2.412 1.00 0.00 C ATOM 0 H ILE A 16 -11.637 2.254 3.949 1.00 0.00 H new ATOM 0 HA ILE A 16 -9.658 0.843 5.608 1.00 0.00 H new ATOM 0 HB ILE A 16 -9.678 2.222 3.033 1.00 0.00 H new ATOM 0 HG12 ILE A 16 -7.794 0.296 4.457 1.00 0.00 H new ATOM 0 HG13 ILE A 16 -9.071 -0.139 3.339 1.00 0.00 H new ATOM 0 HG21 ILE A 16 -7.406 3.139 3.175 1.00 0.00 H new ATOM 0 HG22 ILE A 16 -8.548 3.997 4.236 1.00 0.00 H new ATOM 0 HG23 ILE A 16 -7.398 2.829 4.928 1.00 0.00 H new ATOM 0 HD11 ILE A 16 -6.881 -0.253 2.254 1.00 0.00 H new ATOM 0 HD12 ILE A 16 -7.881 1.016 1.508 1.00 0.00 H new ATOM 0 HD13 ILE A 16 -6.584 1.458 2.643 1.00 0.00 H new ATOM 232 N ALA A 17 -9.295 2.643 7.253 1.00 0.00 N ATOM 233 CA ALA A 17 -9.136 3.672 8.267 1.00 0.00 C ATOM 234 C ALA A 17 -7.809 3.529 9.005 1.00 0.00 C ATOM 235 O ALA A 17 -7.497 2.470 9.548 1.00 0.00 O ATOM 236 CB ALA A 17 -10.307 3.621 9.236 1.00 0.00 C ATOM 0 H ALA A 17 -8.969 1.717 7.530 1.00 0.00 H new ATOM 0 HA ALA A 17 -9.125 4.644 7.774 1.00 0.00 H new ATOM 0 HB1 ALA A 17 -10.185 4.394 9.995 1.00 0.00 H new ATOM 0 HB2 ALA A 17 -11.237 3.790 8.693 1.00 0.00 H new ATOM 0 HB3 ALA A 17 -10.340 2.643 9.716 1.00 0.00 H new ATOM 242 N ILE A 18 -7.030 4.608 9.012 1.00 0.00 N ATOM 243 CA ILE A 18 -5.732 4.614 9.673 1.00 0.00 C ATOM 244 C ILE A 18 -5.882 4.733 11.187 1.00 0.00 C ATOM 245 O ILE A 18 -6.526 5.653 11.689 1.00 0.00 O ATOM 246 CB ILE A 18 -4.850 5.773 9.161 1.00 0.00 C ATOM 247 CG1 ILE A 18 -4.681 5.679 7.643 1.00 0.00 C ATOM 248 CG2 ILE A 18 -3.492 5.766 9.849 1.00 0.00 C ATOM 249 CD1 ILE A 18 -5.725 6.454 6.869 1.00 0.00 C ATOM 0 H ILE A 18 -7.278 5.491 8.565 1.00 0.00 H new ATOM 0 HA ILE A 18 -5.251 3.665 9.435 1.00 0.00 H new ATOM 0 HB ILE A 18 -5.346 6.713 9.401 1.00 0.00 H new ATOM 0 HG12 ILE A 18 -3.692 6.048 7.372 1.00 0.00 H new ATOM 0 HG13 ILE A 18 -4.723 4.631 7.345 1.00 0.00 H new ATOM 0 HG21 ILE A 18 -2.889 6.592 9.472 1.00 0.00 H new ATOM 0 HG22 ILE A 18 -3.628 5.878 10.925 1.00 0.00 H new ATOM 0 HG23 ILE A 18 -2.985 4.823 9.644 1.00 0.00 H new ATOM 0 HD11 ILE A 18 -5.543 6.342 5.800 1.00 0.00 H new ATOM 0 HD12 ILE A 18 -6.716 6.070 7.111 1.00 0.00 H new ATOM 0 HD13 ILE A 18 -5.669 7.509 7.138 1.00 0.00 H new ATOM 261 N ASN A 19 -5.273 3.798 11.907 1.00 0.00 N ATOM 262 CA ASN A 19 -5.324 3.797 13.363 1.00 0.00 C ATOM 263 C ASN A 19 -4.199 4.646 13.940 1.00 0.00 C ATOM 264 O ASN A 19 -3.063 4.187 14.063 1.00 0.00 O ATOM 265 CB ASN A 19 -5.228 2.366 13.898 1.00 0.00 C ATOM 266 CG ASN A 19 -6.055 2.160 15.151 1.00 0.00 C ATOM 267 OD1 ASN A 19 -7.118 2.760 15.314 1.00 0.00 O ATOM 268 ND2 ASN A 19 -5.571 1.306 16.046 1.00 0.00 N ATOM 0 H ASN A 19 -4.737 3.029 11.504 1.00 0.00 H new ATOM 0 HA ASN A 19 -6.277 4.226 13.672 1.00 0.00 H new ATOM 0 HB2 ASN A 19 -5.561 1.670 13.128 1.00 0.00 H new ATOM 0 HB3 ASN A 19 -4.185 2.130 14.111 1.00 0.00 H new ATOM 0 HD21 ASN A 19 -6.084 1.126 16.909 1.00 0.00 H new ATOM 0 HD22 ASN A 19 -4.686 0.830 15.870 1.00 0.00 H new ATOM 275 N GLU A 20 -4.520 5.886 14.292 1.00 0.00 N ATOM 276 CA GLU A 20 -3.532 6.799 14.855 1.00 0.00 C ATOM 277 C GLU A 20 -3.512 6.715 16.379 1.00 0.00 C ATOM 278 O GLU A 20 -3.059 7.638 17.054 1.00 0.00 O ATOM 279 CB GLU A 20 -3.822 8.235 14.415 1.00 0.00 C ATOM 280 CG GLU A 20 -3.341 8.549 13.008 1.00 0.00 C ATOM 281 CD GLU A 20 -3.747 9.936 12.549 1.00 0.00 C ATOM 282 OE1 GLU A 20 -3.871 10.833 13.409 1.00 0.00 O ATOM 283 OE2 GLU A 20 -3.943 10.124 11.330 1.00 0.00 O ATOM 0 H GLU A 20 -5.455 6.282 14.198 1.00 0.00 H new ATOM 0 HA GLU A 20 -2.551 6.503 14.482 1.00 0.00 H new ATOM 0 HB2 GLU A 20 -4.896 8.414 14.471 1.00 0.00 H new ATOM 0 HB3 GLU A 20 -3.347 8.923 15.114 1.00 0.00 H new ATOM 0 HG2 GLU A 20 -2.255 8.461 12.971 1.00 0.00 H new ATOM 0 HG3 GLU A 20 -3.744 7.809 12.317 1.00 0.00 H new ATOM 290 N ASP A 21 -3.989 5.596 16.914 1.00 0.00 N ATOM 291 CA ASP A 21 -4.009 5.385 18.354 1.00 0.00 C ATOM 292 C ASP A 21 -2.778 4.595 18.789 1.00 0.00 C ATOM 293 O ASP A 21 -2.446 4.543 19.972 1.00 0.00 O ATOM 294 CB ASP A 21 -5.281 4.642 18.767 1.00 0.00 C ATOM 295 CG ASP A 21 -5.826 5.126 20.097 1.00 0.00 C ATOM 296 OD1 ASP A 21 -5.144 4.929 21.124 1.00 0.00 O ATOM 297 OD2 ASP A 21 -6.935 5.700 20.111 1.00 0.00 O ATOM 0 H ASP A 21 -4.367 4.821 16.369 1.00 0.00 H new ATOM 0 HA ASP A 21 -3.997 6.358 18.846 1.00 0.00 H new ATOM 0 HB2 ASP A 21 -6.041 4.772 17.997 1.00 0.00 H new ATOM 0 HB3 ASP A 21 -5.071 3.574 18.830 1.00 0.00 H new ATOM 302 N VAL A 22 -2.104 3.986 17.815 1.00 0.00 N ATOM 303 CA VAL A 22 -0.907 3.203 18.087 1.00 0.00 C ATOM 304 C VAL A 22 0.346 4.068 17.954 1.00 0.00 C ATOM 305 O VAL A 22 0.257 5.295 17.899 1.00 0.00 O ATOM 306 CB VAL A 22 -0.806 1.996 17.133 1.00 0.00 C ATOM 307 CG1 VAL A 22 -1.963 1.037 17.365 1.00 0.00 C ATOM 308 CG2 VAL A 22 -0.772 2.462 15.684 1.00 0.00 C ATOM 0 H VAL A 22 -2.369 4.022 16.831 1.00 0.00 H new ATOM 0 HA VAL A 22 -0.979 2.835 19.110 1.00 0.00 H new ATOM 0 HB VAL A 22 0.124 1.466 17.342 1.00 0.00 H new ATOM 0 HG11 VAL A 22 -1.876 0.191 16.683 1.00 0.00 H new ATOM 0 HG12 VAL A 22 -1.938 0.678 18.394 1.00 0.00 H new ATOM 0 HG13 VAL A 22 -2.906 1.554 17.184 1.00 0.00 H new ATOM 0 HG21 VAL A 22 -0.701 1.597 15.025 1.00 0.00 H new ATOM 0 HG22 VAL A 22 -1.683 3.016 15.458 1.00 0.00 H new ATOM 0 HG23 VAL A 22 0.092 3.108 15.530 1.00 0.00 H new ATOM 318 N SER A 23 1.512 3.430 17.913 1.00 0.00 N ATOM 319 CA SER A 23 2.772 4.157 17.797 1.00 0.00 C ATOM 320 C SER A 23 3.163 4.374 16.334 1.00 0.00 C ATOM 321 O SER A 23 3.270 5.513 15.879 1.00 0.00 O ATOM 322 CB SER A 23 3.885 3.409 18.534 1.00 0.00 C ATOM 323 OG SER A 23 4.104 3.959 19.822 1.00 0.00 O ATOM 0 H SER A 23 1.611 2.416 17.958 1.00 0.00 H new ATOM 0 HA SER A 23 2.633 5.136 18.255 1.00 0.00 H new ATOM 0 HB2 SER A 23 3.621 2.356 18.625 1.00 0.00 H new ATOM 0 HB3 SER A 23 4.806 3.457 17.953 1.00 0.00 H new ATOM 0 HG SER A 23 4.819 3.462 20.273 1.00 0.00 H new ATOM 329 N PRO A 24 3.392 3.285 15.575 1.00 0.00 N ATOM 330 CA PRO A 24 3.783 3.379 14.165 1.00 0.00 C ATOM 331 C PRO A 24 2.617 3.641 13.226 1.00 0.00 C ATOM 332 O PRO A 24 2.780 3.702 12.008 1.00 0.00 O ATOM 333 CB PRO A 24 4.378 2.009 13.884 1.00 0.00 C ATOM 334 CG PRO A 24 3.651 1.084 14.800 1.00 0.00 C ATOM 335 CD PRO A 24 3.303 1.883 16.030 1.00 0.00 C ATOM 0 HA PRO A 24 4.461 4.216 13.997 1.00 0.00 H new ATOM 0 HB2 PRO A 24 4.239 1.724 12.841 1.00 0.00 H new ATOM 0 HB3 PRO A 24 5.451 1.996 14.078 1.00 0.00 H new ATOM 0 HG2 PRO A 24 2.751 0.694 14.324 1.00 0.00 H new ATOM 0 HG3 PRO A 24 4.272 0.226 15.058 1.00 0.00 H new ATOM 0 HD2 PRO A 24 2.304 1.643 16.394 1.00 0.00 H new ATOM 0 HD3 PRO A 24 3.996 1.683 16.847 1.00 0.00 H new ATOM 343 N ALA A 25 1.456 3.794 13.808 1.00 0.00 N ATOM 344 CA ALA A 25 0.235 4.052 13.056 1.00 0.00 C ATOM 345 C ALA A 25 -0.061 2.914 12.085 1.00 0.00 C ATOM 346 O ALA A 25 0.746 2.602 11.210 1.00 0.00 O ATOM 347 CB ALA A 25 0.344 5.376 12.317 1.00 0.00 C ATOM 0 H ALA A 25 1.320 3.745 14.818 1.00 0.00 H new ATOM 0 HA ALA A 25 -0.595 4.113 13.760 1.00 0.00 H new ATOM 0 HB1 ALA A 25 -0.574 5.558 11.759 1.00 0.00 H new ATOM 0 HB2 ALA A 25 0.498 6.182 13.035 1.00 0.00 H new ATOM 0 HB3 ALA A 25 1.187 5.339 11.627 1.00 0.00 H new ATOM 353 N GLU A 26 -1.222 2.291 12.252 1.00 0.00 N ATOM 354 CA GLU A 26 -1.624 1.179 11.397 1.00 0.00 C ATOM 355 C GLU A 26 -2.791 1.570 10.492 1.00 0.00 C ATOM 356 O GLU A 26 -3.378 2.641 10.640 1.00 0.00 O ATOM 357 CB GLU A 26 -2.017 -0.026 12.254 1.00 0.00 C ATOM 358 CG GLU A 26 -0.955 -0.424 13.266 1.00 0.00 C ATOM 359 CD GLU A 26 -1.298 -1.708 13.996 1.00 0.00 C ATOM 360 OE1 GLU A 26 -1.603 -2.713 13.319 1.00 0.00 O ATOM 361 OE2 GLU A 26 -1.264 -1.709 15.244 1.00 0.00 O ATOM 0 H GLU A 26 -1.902 2.537 12.972 1.00 0.00 H new ATOM 0 HA GLU A 26 -0.775 0.916 10.766 1.00 0.00 H new ATOM 0 HB2 GLU A 26 -2.943 0.201 12.782 1.00 0.00 H new ATOM 0 HB3 GLU A 26 -2.221 -0.875 11.601 1.00 0.00 H new ATOM 0 HG2 GLU A 26 0.001 -0.544 12.756 1.00 0.00 H new ATOM 0 HG3 GLU A 26 -0.830 0.380 13.991 1.00 0.00 H new ATOM 368 N LEU A 27 -3.122 0.679 9.565 1.00 0.00 N ATOM 369 CA LEU A 27 -4.221 0.892 8.632 1.00 0.00 C ATOM 370 C LEU A 27 -5.204 -0.271 8.740 1.00 0.00 C ATOM 371 O LEU A 27 -4.883 -1.395 8.362 1.00 0.00 O ATOM 372 CB LEU A 27 -3.686 1.002 7.202 1.00 0.00 C ATOM 373 CG LEU A 27 -4.743 1.281 6.129 1.00 0.00 C ATOM 374 CD1 LEU A 27 -4.437 2.580 5.399 1.00 0.00 C ATOM 375 CD2 LEU A 27 -4.826 0.124 5.141 1.00 0.00 C ATOM 0 H LEU A 27 -2.637 -0.210 9.439 1.00 0.00 H new ATOM 0 HA LEU A 27 -4.732 1.822 8.880 1.00 0.00 H new ATOM 0 HB2 LEU A 27 -2.941 1.797 7.170 1.00 0.00 H new ATOM 0 HB3 LEU A 27 -3.173 0.074 6.951 1.00 0.00 H new ATOM 0 HG LEU A 27 -5.709 1.382 6.623 1.00 0.00 H new ATOM 0 HD11 LEU A 27 -5.199 2.760 4.641 1.00 0.00 H new ATOM 0 HD12 LEU A 27 -4.432 3.405 6.111 1.00 0.00 H new ATOM 0 HD13 LEU A 27 -3.460 2.507 4.921 1.00 0.00 H new ATOM 0 HD21 LEU A 27 -5.583 0.343 4.387 1.00 0.00 H new ATOM 0 HD22 LEU A 27 -3.859 -0.010 4.656 1.00 0.00 H new ATOM 0 HD23 LEU A 27 -5.096 -0.789 5.672 1.00 0.00 H new ATOM 387 N THR A 28 -6.388 -0.012 9.285 1.00 0.00 N ATOM 388 CA THR A 28 -7.380 -1.069 9.466 1.00 0.00 C ATOM 389 C THR A 28 -8.519 -0.990 8.455 1.00 0.00 C ATOM 390 O THR A 28 -9.267 -0.012 8.419 1.00 0.00 O ATOM 391 CB THR A 28 -7.950 -1.010 10.883 1.00 0.00 C ATOM 392 OG1 THR A 28 -6.930 -0.718 11.822 1.00 0.00 O ATOM 393 CG2 THR A 28 -8.616 -2.298 11.314 1.00 0.00 C ATOM 0 H THR A 28 -6.683 0.910 9.606 1.00 0.00 H new ATOM 0 HA THR A 28 -6.867 -2.017 9.303 1.00 0.00 H new ATOM 0 HB THR A 28 -8.702 -0.222 10.859 1.00 0.00 H new ATOM 0 HG1 THR A 28 -7.315 -0.683 12.723 1.00 0.00 H new ATOM 0 HG21 THR A 28 -8.999 -2.188 12.329 1.00 0.00 H new ATOM 0 HG22 THR A 28 -9.440 -2.525 10.638 1.00 0.00 H new ATOM 0 HG23 THR A 28 -7.890 -3.110 11.286 1.00 0.00 H new ATOM 401 N TRP A 29 -8.658 -2.042 7.651 1.00 0.00 N ATOM 402 CA TRP A 29 -9.715 -2.120 6.661 1.00 0.00 C ATOM 403 C TRP A 29 -10.927 -2.844 7.235 1.00 0.00 C ATOM 404 O TRP A 29 -10.889 -4.051 7.459 1.00 0.00 O ATOM 405 CB TRP A 29 -9.232 -2.862 5.416 1.00 0.00 C ATOM 406 CG TRP A 29 -10.319 -3.071 4.408 1.00 0.00 C ATOM 407 CD1 TRP A 29 -10.859 -2.123 3.600 1.00 0.00 C ATOM 408 CD2 TRP A 29 -11.011 -4.291 4.119 1.00 0.00 C ATOM 409 NE1 TRP A 29 -11.839 -2.674 2.806 1.00 0.00 N ATOM 410 CE2 TRP A 29 -11.951 -4.008 3.109 1.00 0.00 C ATOM 411 CE3 TRP A 29 -10.923 -5.596 4.611 1.00 0.00 C ATOM 412 CZ2 TRP A 29 -12.796 -4.983 2.584 1.00 0.00 C ATOM 413 CZ3 TRP A 29 -11.765 -6.563 4.090 1.00 0.00 C ATOM 414 CH2 TRP A 29 -12.689 -6.251 3.087 1.00 0.00 C ATOM 0 H TRP A 29 -8.043 -2.856 7.671 1.00 0.00 H new ATOM 0 HA TRP A 29 -9.995 -1.103 6.387 1.00 0.00 H new ATOM 0 HB2 TRP A 29 -8.419 -2.300 4.956 1.00 0.00 H new ATOM 0 HB3 TRP A 29 -8.824 -3.829 5.710 1.00 0.00 H new ATOM 0 HD1 TRP A 29 -10.562 -1.085 3.583 1.00 0.00 H new ATOM 0 HE1 TRP A 29 -12.390 -2.174 2.108 1.00 0.00 H new ATOM 0 HE3 TRP A 29 -10.211 -5.845 5.384 1.00 0.00 H new ATOM 0 HZ2 TRP A 29 -13.509 -4.747 1.808 1.00 0.00 H new ATOM 0 HZ3 TRP A 29 -11.708 -7.575 4.464 1.00 0.00 H new ATOM 0 HH2 TRP A 29 -13.332 -7.028 2.701 1.00 0.00 H new ATOM 425 N ARG A 30 -12.003 -2.105 7.456 1.00 0.00 N ATOM 426 CA ARG A 30 -13.228 -2.688 7.986 1.00 0.00 C ATOM 427 C ARG A 30 -14.304 -2.709 6.907 1.00 0.00 C ATOM 428 O ARG A 30 -14.756 -1.660 6.452 1.00 0.00 O ATOM 429 CB ARG A 30 -13.716 -1.896 9.201 1.00 0.00 C ATOM 430 CG ARG A 30 -12.624 -1.609 10.219 1.00 0.00 C ATOM 431 CD ARG A 30 -12.785 -2.463 11.467 1.00 0.00 C ATOM 432 NE ARG A 30 -13.493 -1.753 12.530 1.00 0.00 N ATOM 433 CZ ARG A 30 -14.067 -2.355 13.569 1.00 0.00 C ATOM 434 NH1 ARG A 30 -14.019 -3.676 13.689 1.00 0.00 N ATOM 435 NH2 ARG A 30 -14.689 -1.634 14.491 1.00 0.00 N ATOM 0 H ARG A 30 -12.054 -1.102 7.277 1.00 0.00 H new ATOM 0 HA ARG A 30 -13.020 -3.711 8.300 1.00 0.00 H new ATOM 0 HB2 ARG A 30 -14.142 -0.952 8.862 1.00 0.00 H new ATOM 0 HB3 ARG A 30 -14.518 -2.451 9.688 1.00 0.00 H new ATOM 0 HG2 ARG A 30 -11.649 -1.799 9.771 1.00 0.00 H new ATOM 0 HG3 ARG A 30 -12.649 -0.554 10.493 1.00 0.00 H new ATOM 0 HD2 ARG A 30 -13.329 -3.374 11.215 1.00 0.00 H new ATOM 0 HD3 ARG A 30 -11.802 -2.768 11.827 1.00 0.00 H new ATOM 0 HE ARG A 30 -13.551 -0.736 12.472 1.00 0.00 H new ATOM 0 HH11 ARG A 30 -13.540 -4.235 12.983 1.00 0.00 H new ATOM 0 HH12 ARG A 30 -14.461 -4.132 14.487 1.00 0.00 H new ATOM 0 HH21 ARG A 30 -14.728 -0.618 14.404 1.00 0.00 H new ATOM 0 HH22 ARG A 30 -15.129 -2.095 15.288 1.00 0.00 H new ATOM 449 N SER A 31 -14.705 -3.908 6.492 1.00 0.00 N ATOM 450 CA SER A 31 -15.719 -4.058 5.453 1.00 0.00 C ATOM 451 C SER A 31 -16.920 -3.153 5.720 1.00 0.00 C ATOM 452 O SER A 31 -17.044 -2.571 6.798 1.00 0.00 O ATOM 453 CB SER A 31 -16.161 -5.522 5.343 1.00 0.00 C ATOM 454 OG SER A 31 -17.402 -5.741 5.988 1.00 0.00 O ATOM 0 H SER A 31 -14.344 -4.788 6.859 1.00 0.00 H new ATOM 0 HA SER A 31 -15.277 -3.756 4.504 1.00 0.00 H new ATOM 0 HB2 SER A 31 -16.242 -5.800 4.292 1.00 0.00 H new ATOM 0 HB3 SER A 31 -15.401 -6.166 5.786 1.00 0.00 H new ATOM 0 HG SER A 31 -18.076 -5.995 5.323 1.00 0.00 H new ATOM 460 N THR A 32 -17.799 -3.037 4.731 1.00 0.00 N ATOM 461 CA THR A 32 -18.982 -2.202 4.855 1.00 0.00 C ATOM 462 C THR A 32 -20.008 -2.878 5.743 1.00 0.00 C ATOM 463 O THR A 32 -20.648 -2.241 6.579 1.00 0.00 O ATOM 464 CB THR A 32 -19.585 -1.928 3.478 1.00 0.00 C ATOM 465 OG1 THR A 32 -18.820 -2.546 2.458 1.00 0.00 O ATOM 466 CG2 THR A 32 -19.681 -0.455 3.151 1.00 0.00 C ATOM 0 H THR A 32 -17.712 -3.513 3.833 1.00 0.00 H new ATOM 0 HA THR A 32 -18.692 -1.253 5.307 1.00 0.00 H new ATOM 0 HB THR A 32 -20.592 -2.343 3.518 1.00 0.00 H new ATOM 0 HG1 THR A 32 -18.015 -2.014 2.285 1.00 0.00 H new ATOM 0 HG21 THR A 32 -20.117 -0.330 2.160 1.00 0.00 H new ATOM 0 HG22 THR A 32 -20.310 0.041 3.890 1.00 0.00 H new ATOM 0 HG23 THR A 32 -18.685 -0.013 3.167 1.00 0.00 H new ATOM 474 N ASP A 33 -20.156 -4.174 5.542 1.00 0.00 N ATOM 475 CA ASP A 33 -21.105 -4.961 6.312 1.00 0.00 C ATOM 476 C ASP A 33 -20.550 -5.305 7.689 1.00 0.00 C ATOM 477 O ASP A 33 -21.297 -5.430 8.659 1.00 0.00 O ATOM 478 CB ASP A 33 -21.482 -6.238 5.559 1.00 0.00 C ATOM 479 CG ASP A 33 -20.267 -7.010 5.082 1.00 0.00 C ATOM 480 OD1 ASP A 33 -19.386 -6.396 4.444 1.00 0.00 O ATOM 481 OD2 ASP A 33 -20.197 -8.228 5.347 1.00 0.00 O ATOM 0 H ASP A 33 -19.630 -4.707 4.850 1.00 0.00 H new ATOM 0 HA ASP A 33 -22.002 -4.357 6.450 1.00 0.00 H new ATOM 0 HB2 ASP A 33 -22.082 -6.876 6.209 1.00 0.00 H new ATOM 0 HB3 ASP A 33 -22.105 -5.981 4.702 1.00 0.00 H new ATOM 486 N GLY A 34 -19.236 -5.457 7.764 1.00 0.00 N ATOM 487 CA GLY A 34 -18.597 -5.785 9.024 1.00 0.00 C ATOM 488 C GLY A 34 -18.258 -7.258 9.134 1.00 0.00 C ATOM 489 O GLY A 34 -18.178 -7.803 10.235 1.00 0.00 O ATOM 0 H GLY A 34 -18.599 -5.359 6.974 1.00 0.00 H new ATOM 0 HA2 GLY A 34 -17.686 -5.196 9.130 1.00 0.00 H new ATOM 0 HA3 GLY A 34 -19.255 -5.504 9.846 1.00 0.00 H new ATOM 493 N ASP A 35 -18.061 -7.904 7.990 1.00 0.00 N ATOM 494 CA ASP A 35 -17.730 -9.324 7.961 1.00 0.00 C ATOM 495 C ASP A 35 -16.287 -9.546 7.516 1.00 0.00 C ATOM 496 O ASP A 35 -15.720 -10.615 7.738 1.00 0.00 O ATOM 497 CB ASP A 35 -18.684 -10.071 7.027 1.00 0.00 C ATOM 498 CG ASP A 35 -20.129 -9.967 7.472 1.00 0.00 C ATOM 499 OD1 ASP A 35 -20.364 -9.659 8.660 1.00 0.00 O ATOM 500 OD2 ASP A 35 -21.027 -10.193 6.633 1.00 0.00 O ATOM 0 H ASP A 35 -18.125 -7.467 7.071 1.00 0.00 H new ATOM 0 HA ASP A 35 -17.839 -9.714 8.973 1.00 0.00 H new ATOM 0 HB2 ASP A 35 -18.588 -9.670 6.018 1.00 0.00 H new ATOM 0 HB3 ASP A 35 -18.395 -11.121 6.982 1.00 0.00 H new ATOM 505 N LYS A 36 -15.697 -8.534 6.887 1.00 0.00 N ATOM 506 CA LYS A 36 -14.320 -8.631 6.416 1.00 0.00 C ATOM 507 C LYS A 36 -13.434 -7.595 7.095 1.00 0.00 C ATOM 508 O LYS A 36 -13.853 -6.463 7.333 1.00 0.00 O ATOM 509 CB LYS A 36 -14.264 -8.457 4.897 1.00 0.00 C ATOM 510 CG LYS A 36 -15.332 -9.245 4.156 1.00 0.00 C ATOM 511 CD LYS A 36 -15.067 -9.275 2.659 1.00 0.00 C ATOM 512 CE LYS A 36 -15.274 -10.667 2.084 1.00 0.00 C ATOM 513 NZ LYS A 36 -16.698 -10.916 1.728 1.00 0.00 N ATOM 0 H LYS A 36 -16.149 -7.641 6.692 1.00 0.00 H new ATOM 0 HA LYS A 36 -13.945 -9.621 6.674 1.00 0.00 H new ATOM 0 HB2 LYS A 36 -14.372 -7.399 4.656 1.00 0.00 H new ATOM 0 HB3 LYS A 36 -13.282 -8.767 4.540 1.00 0.00 H new ATOM 0 HG2 LYS A 36 -15.366 -10.264 4.541 1.00 0.00 H new ATOM 0 HG3 LYS A 36 -16.309 -8.801 4.344 1.00 0.00 H new ATOM 0 HD2 LYS A 36 -15.730 -8.571 2.157 1.00 0.00 H new ATOM 0 HD3 LYS A 36 -14.046 -8.947 2.463 1.00 0.00 H new ATOM 0 HE2 LYS A 36 -14.652 -10.790 1.198 1.00 0.00 H new ATOM 0 HE3 LYS A 36 -14.946 -11.412 2.809 1.00 0.00 H new ATOM 0 HZ1 LYS A 36 -16.796 -11.876 1.340 1.00 0.00 H new ATOM 0 HZ2 LYS A 36 -17.290 -10.824 2.578 1.00 0.00 H new ATOM 0 HZ3 LYS A 36 -17.005 -10.222 1.017 1.00 0.00 H new ATOM 527 N VAL A 37 -12.206 -7.992 7.409 1.00 0.00 N ATOM 528 CA VAL A 37 -11.263 -7.100 8.065 1.00 0.00 C ATOM 529 C VAL A 37 -9.838 -7.337 7.563 1.00 0.00 C ATOM 530 O VAL A 37 -9.428 -8.477 7.342 1.00 0.00 O ATOM 531 CB VAL A 37 -11.324 -7.269 9.605 1.00 0.00 C ATOM 532 CG1 VAL A 37 -10.129 -8.052 10.138 1.00 0.00 C ATOM 533 CG2 VAL A 37 -11.423 -5.911 10.281 1.00 0.00 C ATOM 0 H VAL A 37 -11.842 -8.926 7.219 1.00 0.00 H new ATOM 0 HA VAL A 37 -11.547 -6.078 7.816 1.00 0.00 H new ATOM 0 HB VAL A 37 -12.218 -7.846 9.840 1.00 0.00 H new ATOM 0 HG11 VAL A 37 -10.210 -8.148 11.221 1.00 0.00 H new ATOM 0 HG12 VAL A 37 -10.113 -9.044 9.686 1.00 0.00 H new ATOM 0 HG13 VAL A 37 -9.208 -7.525 9.889 1.00 0.00 H new ATOM 0 HG21 VAL A 37 -11.465 -6.045 11.362 1.00 0.00 H new ATOM 0 HG22 VAL A 37 -10.550 -5.312 10.023 1.00 0.00 H new ATOM 0 HG23 VAL A 37 -12.325 -5.401 9.943 1.00 0.00 H new ATOM 543 N HIS A 38 -9.088 -6.253 7.388 1.00 0.00 N ATOM 544 CA HIS A 38 -7.709 -6.341 6.917 1.00 0.00 C ATOM 545 C HIS A 38 -6.877 -5.189 7.472 1.00 0.00 C ATOM 546 O HIS A 38 -7.102 -4.029 7.130 1.00 0.00 O ATOM 547 CB HIS A 38 -7.665 -6.329 5.388 1.00 0.00 C ATOM 548 CG HIS A 38 -6.416 -6.928 4.821 1.00 0.00 C ATOM 549 ND1 HIS A 38 -6.038 -8.235 5.049 1.00 0.00 N ATOM 550 CD2 HIS A 38 -5.454 -6.393 4.032 1.00 0.00 C ATOM 551 CE1 HIS A 38 -4.898 -8.477 4.425 1.00 0.00 C ATOM 552 NE2 HIS A 38 -4.524 -7.376 3.801 1.00 0.00 N ATOM 0 H HIS A 38 -9.412 -5.302 7.565 1.00 0.00 H new ATOM 0 HA HIS A 38 -7.286 -7.280 7.274 1.00 0.00 H new ATOM 0 HB2 HIS A 38 -8.527 -6.874 5.004 1.00 0.00 H new ATOM 0 HB3 HIS A 38 -7.756 -5.301 5.038 1.00 0.00 H new ATOM 0 HD2 HIS A 38 -5.424 -5.381 3.655 1.00 0.00 H new ATOM 0 HE1 HIS A 38 -4.364 -9.416 4.426 1.00 0.00 H new ATOM 0 HE2 HIS A 38 -3.680 -7.272 3.238 1.00 0.00 H new ATOM 561 N THR A 39 -5.923 -5.517 8.337 1.00 0.00 N ATOM 562 CA THR A 39 -5.069 -4.505 8.949 1.00 0.00 C ATOM 563 C THR A 39 -3.715 -4.414 8.250 1.00 0.00 C ATOM 564 O THR A 39 -3.179 -5.414 7.771 1.00 0.00 O ATOM 565 CB THR A 39 -4.866 -4.814 10.432 1.00 0.00 C ATOM 566 OG1 THR A 39 -6.003 -5.466 10.970 1.00 0.00 O ATOM 567 CG2 THR A 39 -4.606 -3.580 11.270 1.00 0.00 C ATOM 0 H THR A 39 -5.722 -6.473 8.630 1.00 0.00 H new ATOM 0 HA THR A 39 -5.569 -3.542 8.842 1.00 0.00 H new ATOM 0 HB THR A 39 -3.986 -5.456 10.475 1.00 0.00 H new ATOM 0 HG1 THR A 39 -5.852 -5.656 11.919 1.00 0.00 H new ATOM 0 HG21 THR A 39 -4.471 -3.870 12.312 1.00 0.00 H new ATOM 0 HG22 THR A 39 -3.706 -3.081 10.913 1.00 0.00 H new ATOM 0 HG23 THR A 39 -5.454 -2.900 11.190 1.00 0.00 H new ATOM 575 N VAL A 40 -3.168 -3.204 8.209 1.00 0.00 N ATOM 576 CA VAL A 40 -1.874 -2.954 7.589 1.00 0.00 C ATOM 577 C VAL A 40 -1.050 -2.030 8.452 1.00 0.00 C ATOM 578 O VAL A 40 -1.527 -0.990 8.892 1.00 0.00 O ATOM 579 CB VAL A 40 -2.020 -2.322 6.191 1.00 0.00 C ATOM 580 CG1 VAL A 40 -0.813 -1.459 5.828 1.00 0.00 C ATOM 581 CG2 VAL A 40 -2.220 -3.410 5.162 1.00 0.00 C ATOM 0 H VAL A 40 -3.608 -2.372 8.603 1.00 0.00 H new ATOM 0 HA VAL A 40 -1.378 -3.919 7.486 1.00 0.00 H new ATOM 0 HB VAL A 40 -2.891 -1.667 6.204 1.00 0.00 H new ATOM 0 HG11 VAL A 40 -0.956 -1.032 4.835 1.00 0.00 H new ATOM 0 HG12 VAL A 40 -0.708 -0.655 6.557 1.00 0.00 H new ATOM 0 HG13 VAL A 40 0.088 -2.073 5.833 1.00 0.00 H new ATOM 0 HG21 VAL A 40 -2.323 -2.962 4.174 1.00 0.00 H new ATOM 0 HG22 VAL A 40 -1.360 -4.080 5.169 1.00 0.00 H new ATOM 0 HG23 VAL A 40 -3.121 -3.975 5.400 1.00 0.00 H new ATOM 591 N VAL A 41 0.191 -2.396 8.681 1.00 0.00 N ATOM 592 CA VAL A 41 1.058 -1.559 9.489 1.00 0.00 C ATOM 593 C VAL A 41 1.990 -0.732 8.615 1.00 0.00 C ATOM 594 O VAL A 41 2.937 -1.251 8.024 1.00 0.00 O ATOM 595 CB VAL A 41 1.867 -2.372 10.517 1.00 0.00 C ATOM 596 CG1 VAL A 41 2.833 -1.472 11.281 1.00 0.00 C ATOM 597 CG2 VAL A 41 0.923 -3.075 11.478 1.00 0.00 C ATOM 0 H VAL A 41 0.620 -3.251 8.328 1.00 0.00 H new ATOM 0 HA VAL A 41 0.409 -0.884 10.047 1.00 0.00 H new ATOM 0 HB VAL A 41 2.454 -3.121 9.985 1.00 0.00 H new ATOM 0 HG11 VAL A 41 3.393 -2.068 12.001 1.00 0.00 H new ATOM 0 HG12 VAL A 41 3.525 -1.004 10.581 1.00 0.00 H new ATOM 0 HG13 VAL A 41 2.272 -0.700 11.808 1.00 0.00 H new ATOM 0 HG21 VAL A 41 1.502 -3.648 12.202 1.00 0.00 H new ATOM 0 HG22 VAL A 41 0.318 -2.334 12.001 1.00 0.00 H new ATOM 0 HG23 VAL A 41 0.271 -3.748 10.921 1.00 0.00 H new ATOM 607 N LEU A 42 1.704 0.562 8.541 1.00 0.00 N ATOM 608 CA LEU A 42 2.501 1.485 7.745 1.00 0.00 C ATOM 609 C LEU A 42 3.985 1.380 8.099 1.00 0.00 C ATOM 610 O LEU A 42 4.850 1.700 7.284 1.00 0.00 O ATOM 611 CB LEU A 42 2.004 2.916 7.958 1.00 0.00 C ATOM 612 CG LEU A 42 0.710 3.273 7.222 1.00 0.00 C ATOM 613 CD1 LEU A 42 0.864 3.019 5.731 1.00 0.00 C ATOM 614 CD2 LEU A 42 -0.467 2.481 7.784 1.00 0.00 C ATOM 0 H LEU A 42 0.920 0.998 9.027 1.00 0.00 H new ATOM 0 HA LEU A 42 2.388 1.218 6.694 1.00 0.00 H new ATOM 0 HB2 LEU A 42 1.852 3.076 9.025 1.00 0.00 H new ATOM 0 HB3 LEU A 42 2.786 3.606 7.641 1.00 0.00 H new ATOM 0 HG LEU A 42 0.508 4.333 7.374 1.00 0.00 H new ATOM 0 HD11 LEU A 42 -0.064 3.277 5.220 1.00 0.00 H new ATOM 0 HD12 LEU A 42 1.676 3.631 5.340 1.00 0.00 H new ATOM 0 HD13 LEU A 42 1.090 1.966 5.563 1.00 0.00 H new ATOM 0 HD21 LEU A 42 -1.376 2.750 7.247 1.00 0.00 H new ATOM 0 HD22 LEU A 42 -0.278 1.414 7.665 1.00 0.00 H new ATOM 0 HD23 LEU A 42 -0.589 2.712 8.842 1.00 0.00 H new ATOM 626 N SER A 43 4.271 0.926 9.317 1.00 0.00 N ATOM 627 CA SER A 43 5.651 0.775 9.773 1.00 0.00 C ATOM 628 C SER A 43 6.386 -0.269 8.945 1.00 0.00 C ATOM 629 O SER A 43 7.591 -0.166 8.716 1.00 0.00 O ATOM 630 CB SER A 43 5.682 0.387 11.253 1.00 0.00 C ATOM 631 OG SER A 43 6.369 1.359 12.022 1.00 0.00 O ATOM 0 H SER A 43 3.567 0.657 10.005 1.00 0.00 H new ATOM 0 HA SER A 43 6.156 1.732 9.646 1.00 0.00 H new ATOM 0 HB2 SER A 43 4.663 0.279 11.625 1.00 0.00 H new ATOM 0 HB3 SER A 43 6.168 -0.582 11.368 1.00 0.00 H new ATOM 0 HG SER A 43 6.173 2.253 11.671 1.00 0.00 H new ATOM 637 N THR A 44 5.648 -1.274 8.497 1.00 0.00 N ATOM 638 CA THR A 44 6.218 -2.347 7.687 1.00 0.00 C ATOM 639 C THR A 44 6.093 -2.020 6.209 1.00 0.00 C ATOM 640 O THR A 44 6.940 -2.395 5.399 1.00 0.00 O ATOM 641 CB THR A 44 5.518 -3.677 7.982 1.00 0.00 C ATOM 642 OG1 THR A 44 4.376 -3.840 7.158 1.00 0.00 O ATOM 643 CG2 THR A 44 5.064 -3.811 9.418 1.00 0.00 C ATOM 0 H THR A 44 4.649 -1.371 8.680 1.00 0.00 H new ATOM 0 HA THR A 44 7.273 -2.440 7.943 1.00 0.00 H new ATOM 0 HB THR A 44 6.266 -4.443 7.779 1.00 0.00 H new ATOM 0 HG1 THR A 44 3.772 -3.078 7.281 1.00 0.00 H new ATOM 0 HG21 THR A 44 4.577 -4.776 9.557 1.00 0.00 H new ATOM 0 HG22 THR A 44 5.927 -3.742 10.080 1.00 0.00 H new ATOM 0 HG23 THR A 44 4.361 -3.012 9.653 1.00 0.00 H new ATOM 651 N ILE A 45 5.022 -1.318 5.872 1.00 0.00 N ATOM 652 CA ILE A 45 4.758 -0.929 4.491 1.00 0.00 C ATOM 653 C ILE A 45 6.010 -0.362 3.827 1.00 0.00 C ATOM 654 O ILE A 45 6.413 0.769 4.097 1.00 0.00 O ATOM 655 CB ILE A 45 3.612 0.104 4.408 1.00 0.00 C ATOM 656 CG1 ILE A 45 2.303 -0.514 4.906 1.00 0.00 C ATOM 657 CG2 ILE A 45 3.448 0.617 2.984 1.00 0.00 C ATOM 658 CD1 ILE A 45 2.000 -1.870 4.300 1.00 0.00 C ATOM 0 H ILE A 45 4.317 -1.004 6.538 1.00 0.00 H new ATOM 0 HA ILE A 45 4.456 -1.830 3.957 1.00 0.00 H new ATOM 0 HB ILE A 45 3.866 0.949 5.048 1.00 0.00 H new ATOM 0 HG12 ILE A 45 2.348 -0.612 5.991 1.00 0.00 H new ATOM 0 HG13 ILE A 45 1.482 0.166 4.681 1.00 0.00 H new ATOM 0 HG21 ILE A 45 2.636 1.343 2.950 1.00 0.00 H new ATOM 0 HG22 ILE A 45 4.374 1.093 2.660 1.00 0.00 H new ATOM 0 HG23 ILE A 45 3.217 -0.217 2.321 1.00 0.00 H new ATOM 0 HD11 ILE A 45 1.058 -2.245 4.700 1.00 0.00 H new ATOM 0 HD12 ILE A 45 1.922 -1.775 3.217 1.00 0.00 H new ATOM 0 HD13 ILE A 45 2.802 -2.566 4.547 1.00 0.00 H new ATOM 670 N ASP A 46 6.618 -1.162 2.959 1.00 0.00 N ATOM 671 CA ASP A 46 7.824 -0.753 2.252 1.00 0.00 C ATOM 672 C ASP A 46 7.577 0.508 1.430 1.00 0.00 C ATOM 673 O ASP A 46 8.387 1.434 1.446 1.00 0.00 O ATOM 674 CB ASP A 46 8.313 -1.881 1.342 1.00 0.00 C ATOM 675 CG ASP A 46 9.826 -1.962 1.285 1.00 0.00 C ATOM 676 OD1 ASP A 46 10.479 -0.898 1.311 1.00 0.00 O ATOM 677 OD2 ASP A 46 10.358 -3.090 1.215 1.00 0.00 O ATOM 0 H ASP A 46 6.293 -2.101 2.728 1.00 0.00 H new ATOM 0 HA ASP A 46 8.591 -0.534 2.994 1.00 0.00 H new ATOM 0 HB2 ASP A 46 7.914 -2.831 1.698 1.00 0.00 H new ATOM 0 HB3 ASP A 46 7.922 -1.728 0.336 1.00 0.00 H new ATOM 682 N LYS A 47 6.460 0.538 0.707 1.00 0.00 N ATOM 683 CA LYS A 47 6.127 1.691 -0.121 1.00 0.00 C ATOM 684 C LYS A 47 4.623 1.786 -0.354 1.00 0.00 C ATOM 685 O LYS A 47 3.889 0.817 -0.160 1.00 0.00 O ATOM 686 CB LYS A 47 6.847 1.613 -1.471 1.00 0.00 C ATOM 687 CG LYS A 47 8.267 1.075 -1.384 1.00 0.00 C ATOM 688 CD LYS A 47 8.939 1.054 -2.747 1.00 0.00 C ATOM 689 CE LYS A 47 8.616 -0.222 -3.508 1.00 0.00 C ATOM 690 NZ LYS A 47 8.963 -0.112 -4.951 1.00 0.00 N ATOM 0 H LYS A 47 5.776 -0.218 0.678 1.00 0.00 H new ATOM 0 HA LYS A 47 6.456 2.583 0.412 1.00 0.00 H new ATOM 0 HB2 LYS A 47 6.269 0.978 -2.143 1.00 0.00 H new ATOM 0 HB3 LYS A 47 6.873 2.608 -1.916 1.00 0.00 H new ATOM 0 HG2 LYS A 47 8.850 1.692 -0.699 1.00 0.00 H new ATOM 0 HG3 LYS A 47 8.251 0.067 -0.970 1.00 0.00 H new ATOM 0 HD2 LYS A 47 8.614 1.917 -3.328 1.00 0.00 H new ATOM 0 HD3 LYS A 47 10.018 1.142 -2.623 1.00 0.00 H new ATOM 0 HE2 LYS A 47 9.162 -1.056 -3.066 1.00 0.00 H new ATOM 0 HE3 LYS A 47 7.554 -0.446 -3.406 1.00 0.00 H new ATOM 0 HZ1 LYS A 47 8.727 -1.003 -5.434 1.00 0.00 H new ATOM 0 HZ2 LYS A 47 8.424 0.667 -5.379 1.00 0.00 H new ATOM 0 HZ3 LYS A 47 9.981 0.076 -5.050 1.00 0.00 H new ATOM 704 N LEU A 48 4.177 2.961 -0.783 1.00 0.00 N ATOM 705 CA LEU A 48 2.767 3.196 -1.061 1.00 0.00 C ATOM 706 C LEU A 48 2.545 3.321 -2.565 1.00 0.00 C ATOM 707 O LEU A 48 3.458 3.693 -3.302 1.00 0.00 O ATOM 708 CB LEU A 48 2.296 4.469 -0.354 1.00 0.00 C ATOM 709 CG LEU A 48 0.985 4.333 0.423 1.00 0.00 C ATOM 710 CD1 LEU A 48 1.265 4.029 1.887 1.00 0.00 C ATOM 711 CD2 LEU A 48 0.153 5.600 0.287 1.00 0.00 C ATOM 0 H LEU A 48 4.777 3.770 -0.946 1.00 0.00 H new ATOM 0 HA LEU A 48 2.189 2.351 -0.687 1.00 0.00 H new ATOM 0 HB2 LEU A 48 3.076 4.793 0.334 1.00 0.00 H new ATOM 0 HB3 LEU A 48 2.179 5.257 -1.098 1.00 0.00 H new ATOM 0 HG LEU A 48 0.417 3.503 0.003 1.00 0.00 H new ATOM 0 HD11 LEU A 48 0.322 3.935 2.426 1.00 0.00 H new ATOM 0 HD12 LEU A 48 1.822 3.095 1.965 1.00 0.00 H new ATOM 0 HD13 LEU A 48 1.852 4.838 2.321 1.00 0.00 H new ATOM 0 HD21 LEU A 48 -0.776 5.487 0.845 1.00 0.00 H new ATOM 0 HD22 LEU A 48 0.713 6.447 0.682 1.00 0.00 H new ATOM 0 HD23 LEU A 48 -0.075 5.775 -0.765 1.00 0.00 H new ATOM 723 N GLN A 49 1.338 3.009 -3.021 1.00 0.00 N ATOM 724 CA GLN A 49 1.026 3.092 -4.444 1.00 0.00 C ATOM 725 C GLN A 49 -0.338 3.733 -4.678 1.00 0.00 C ATOM 726 O GLN A 49 -1.269 3.544 -3.895 1.00 0.00 O ATOM 727 CB GLN A 49 1.066 1.701 -5.076 1.00 0.00 C ATOM 728 CG GLN A 49 2.436 1.313 -5.607 1.00 0.00 C ATOM 729 CD GLN A 49 2.468 -0.096 -6.164 1.00 0.00 C ATOM 730 OE1 GLN A 49 1.903 -0.370 -7.223 1.00 0.00 O ATOM 731 NE2 GLN A 49 3.131 -1.000 -5.451 1.00 0.00 N ATOM 0 H GLN A 49 0.565 2.699 -2.433 1.00 0.00 H new ATOM 0 HA GLN A 49 1.780 3.722 -4.915 1.00 0.00 H new ATOM 0 HB2 GLN A 49 0.751 0.966 -4.336 1.00 0.00 H new ATOM 0 HB3 GLN A 49 0.345 1.661 -5.892 1.00 0.00 H new ATOM 0 HG2 GLN A 49 2.731 2.015 -6.387 1.00 0.00 H new ATOM 0 HG3 GLN A 49 3.170 1.400 -4.806 1.00 0.00 H new ATOM 0 HE21 GLN A 49 3.585 -0.729 -4.579 1.00 0.00 H new ATOM 0 HE22 GLN A 49 3.186 -1.965 -5.776 1.00 0.00 H new ATOM 740 N ALA A 50 -0.444 4.488 -5.766 1.00 0.00 N ATOM 741 CA ALA A 50 -1.690 5.158 -6.118 1.00 0.00 C ATOM 742 C ALA A 50 -1.768 5.408 -7.619 1.00 0.00 C ATOM 743 O ALA A 50 -0.819 5.902 -8.226 1.00 0.00 O ATOM 744 CB ALA A 50 -1.822 6.467 -5.356 1.00 0.00 C ATOM 0 H ALA A 50 0.321 4.651 -6.421 1.00 0.00 H new ATOM 0 HA ALA A 50 -2.517 4.505 -5.838 1.00 0.00 H new ATOM 0 HB1 ALA A 50 -2.757 6.955 -5.630 1.00 0.00 H new ATOM 0 HB2 ALA A 50 -1.818 6.266 -4.285 1.00 0.00 H new ATOM 0 HB3 ALA A 50 -0.986 7.120 -5.606 1.00 0.00 H new ATOM 750 N THR A 51 -2.905 5.061 -8.212 1.00 0.00 N ATOM 751 CA THR A 51 -3.112 5.243 -9.645 1.00 0.00 C ATOM 752 C THR A 51 -2.912 6.698 -10.053 1.00 0.00 C ATOM 753 O THR A 51 -3.784 7.540 -9.844 1.00 0.00 O ATOM 754 CB THR A 51 -4.515 4.779 -10.040 1.00 0.00 C ATOM 755 OG1 THR A 51 -5.464 5.159 -9.059 1.00 0.00 O ATOM 756 CG2 THR A 51 -4.619 3.280 -10.223 1.00 0.00 C ATOM 0 H THR A 51 -3.700 4.651 -7.721 1.00 0.00 H new ATOM 0 HA THR A 51 -2.372 4.638 -10.169 1.00 0.00 H new ATOM 0 HB THR A 51 -4.721 5.261 -10.996 1.00 0.00 H new ATOM 0 HG1 THR A 51 -5.360 6.112 -8.855 1.00 0.00 H new ATOM 0 HG21 THR A 51 -5.639 3.017 -10.502 1.00 0.00 H new ATOM 0 HG22 THR A 51 -3.934 2.961 -11.009 1.00 0.00 H new ATOM 0 HG23 THR A 51 -4.358 2.781 -9.290 1.00 0.00 H new ATOM 764 N PRO A 52 -1.756 7.005 -10.665 1.00 0.00 N ATOM 765 CA PRO A 52 -1.426 8.353 -11.135 1.00 0.00 C ATOM 766 C PRO A 52 -2.557 8.977 -11.943 1.00 0.00 C ATOM 767 O PRO A 52 -3.464 8.280 -12.399 1.00 0.00 O ATOM 768 CB PRO A 52 -0.196 8.128 -12.031 1.00 0.00 C ATOM 769 CG PRO A 52 -0.143 6.653 -12.236 1.00 0.00 C ATOM 770 CD PRO A 52 -0.676 6.066 -10.977 1.00 0.00 C ATOM 0 HA PRO A 52 -1.250 9.040 -10.307 1.00 0.00 H new ATOM 0 HB2 PRO A 52 -0.295 8.656 -12.979 1.00 0.00 H new ATOM 0 HB3 PRO A 52 0.713 8.495 -11.555 1.00 0.00 H new ATOM 0 HG2 PRO A 52 -0.743 6.353 -13.095 1.00 0.00 H new ATOM 0 HG3 PRO A 52 0.877 6.318 -12.426 1.00 0.00 H new ATOM 0 HD2 PRO A 52 -1.042 5.049 -11.119 1.00 0.00 H new ATOM 0 HD3 PRO A 52 0.077 6.027 -10.189 1.00 0.00 H new ATOM 778 N ALA A 53 -2.495 10.291 -12.123 1.00 0.00 N ATOM 779 CA ALA A 53 -3.512 11.006 -12.885 1.00 0.00 C ATOM 780 C ALA A 53 -3.723 10.375 -14.260 1.00 0.00 C ATOM 781 O ALA A 53 -4.771 10.558 -14.880 1.00 0.00 O ATOM 782 CB ALA A 53 -3.127 12.472 -13.029 1.00 0.00 C ATOM 0 H ALA A 53 -1.752 10.883 -11.752 1.00 0.00 H new ATOM 0 HA ALA A 53 -4.452 10.937 -12.338 1.00 0.00 H new ATOM 0 HB1 ALA A 53 -3.894 12.995 -13.600 1.00 0.00 H new ATOM 0 HB2 ALA A 53 -3.038 12.924 -12.041 1.00 0.00 H new ATOM 0 HB3 ALA A 53 -2.172 12.548 -13.550 1.00 0.00 H new ATOM 788 N SER A 54 -2.725 9.630 -14.735 1.00 0.00 N ATOM 789 CA SER A 54 -2.813 8.977 -16.035 1.00 0.00 C ATOM 790 C SER A 54 -3.692 7.732 -15.965 1.00 0.00 C ATOM 791 O SER A 54 -4.212 7.270 -16.981 1.00 0.00 O ATOM 792 CB SER A 54 -1.418 8.603 -16.537 1.00 0.00 C ATOM 793 OG SER A 54 -0.670 7.948 -15.528 1.00 0.00 O ATOM 0 H SER A 54 -1.849 9.466 -14.238 1.00 0.00 H new ATOM 0 HA SER A 54 -3.268 9.679 -16.734 1.00 0.00 H new ATOM 0 HB2 SER A 54 -1.504 7.954 -17.409 1.00 0.00 H new ATOM 0 HB3 SER A 54 -0.891 9.501 -16.859 1.00 0.00 H new ATOM 0 HG SER A 54 0.217 7.718 -15.875 1.00 0.00 H new ATOM 799 N SER A 55 -3.856 7.194 -14.762 1.00 0.00 N ATOM 800 CA SER A 55 -4.674 6.005 -14.559 1.00 0.00 C ATOM 801 C SER A 55 -6.099 6.387 -14.173 1.00 0.00 C ATOM 802 O SER A 55 -6.373 6.711 -13.017 1.00 0.00 O ATOM 803 CB SER A 55 -4.060 5.115 -13.477 1.00 0.00 C ATOM 804 OG SER A 55 -3.098 4.231 -14.028 1.00 0.00 O ATOM 0 H SER A 55 -3.432 7.564 -13.911 1.00 0.00 H new ATOM 0 HA SER A 55 -4.706 5.451 -15.497 1.00 0.00 H new ATOM 0 HB2 SER A 55 -3.592 5.736 -12.713 1.00 0.00 H new ATOM 0 HB3 SER A 55 -4.845 4.542 -12.985 1.00 0.00 H new ATOM 0 HG SER A 55 -2.719 3.674 -13.316 1.00 0.00 H new ATOM 810 N GLU A 56 -7.001 6.351 -15.147 1.00 0.00 N ATOM 811 CA GLU A 56 -8.398 6.697 -14.908 1.00 0.00 C ATOM 812 C GLU A 56 -9.013 5.802 -13.837 1.00 0.00 C ATOM 813 O GLU A 56 -9.999 6.170 -13.201 1.00 0.00 O ATOM 814 CB GLU A 56 -9.201 6.591 -16.207 1.00 0.00 C ATOM 815 CG GLU A 56 -10.117 7.778 -16.453 1.00 0.00 C ATOM 816 CD GLU A 56 -9.561 8.739 -17.487 1.00 0.00 C ATOM 817 OE1 GLU A 56 -8.851 8.278 -18.405 1.00 0.00 O ATOM 818 OE2 GLU A 56 -9.836 9.952 -17.378 1.00 0.00 O ATOM 0 H GLU A 56 -6.791 6.086 -16.109 1.00 0.00 H new ATOM 0 HA GLU A 56 -8.432 7.726 -14.551 1.00 0.00 H new ATOM 0 HB2 GLU A 56 -8.510 6.496 -17.045 1.00 0.00 H new ATOM 0 HB3 GLU A 56 -9.799 5.680 -16.182 1.00 0.00 H new ATOM 0 HG2 GLU A 56 -11.091 7.418 -16.784 1.00 0.00 H new ATOM 0 HG3 GLU A 56 -10.275 8.311 -15.515 1.00 0.00 H new ATOM 825 N LYS A 57 -8.429 4.626 -13.647 1.00 0.00 N ATOM 826 CA LYS A 57 -8.922 3.679 -12.658 1.00 0.00 C ATOM 827 C LYS A 57 -8.356 3.985 -11.274 1.00 0.00 C ATOM 828 O LYS A 57 -7.146 3.918 -11.059 1.00 0.00 O ATOM 829 CB LYS A 57 -8.547 2.256 -13.067 1.00 0.00 C ATOM 830 CG LYS A 57 -9.407 1.676 -14.184 1.00 0.00 C ATOM 831 CD LYS A 57 -9.799 2.717 -15.225 1.00 0.00 C ATOM 832 CE LYS A 57 -8.607 3.145 -16.065 1.00 0.00 C ATOM 833 NZ LYS A 57 -8.784 2.796 -17.502 1.00 0.00 N ATOM 0 H LYS A 57 -7.612 4.306 -14.166 1.00 0.00 H new ATOM 0 HA LYS A 57 -10.007 3.770 -12.612 1.00 0.00 H new ATOM 0 HB2 LYS A 57 -7.504 2.245 -13.384 1.00 0.00 H new ATOM 0 HB3 LYS A 57 -8.621 1.608 -12.194 1.00 0.00 H new ATOM 0 HG2 LYS A 57 -8.864 0.867 -14.672 1.00 0.00 H new ATOM 0 HG3 LYS A 57 -10.309 1.241 -13.754 1.00 0.00 H new ATOM 0 HD2 LYS A 57 -10.574 2.310 -15.874 1.00 0.00 H new ATOM 0 HD3 LYS A 57 -10.225 3.588 -14.727 1.00 0.00 H new ATOM 0 HE2 LYS A 57 -8.463 4.221 -15.968 1.00 0.00 H new ATOM 0 HE3 LYS A 57 -7.705 2.667 -15.684 1.00 0.00 H new ATOM 0 HZ1 LYS A 57 -7.949 3.105 -18.040 1.00 0.00 H new ATOM 0 HZ2 LYS A 57 -8.896 1.767 -17.598 1.00 0.00 H new ATOM 0 HZ3 LYS A 57 -9.631 3.272 -17.873 1.00 0.00 H new ATOM 847 N MET A 58 -9.238 4.319 -10.339 1.00 0.00 N ATOM 848 CA MET A 58 -8.831 4.632 -8.977 1.00 0.00 C ATOM 849 C MET A 58 -8.431 3.369 -8.219 1.00 0.00 C ATOM 850 O MET A 58 -9.284 2.557 -7.856 1.00 0.00 O ATOM 851 CB MET A 58 -9.966 5.344 -8.240 1.00 0.00 C ATOM 852 CG MET A 58 -9.844 6.856 -8.265 1.00 0.00 C ATOM 853 SD MET A 58 -11.139 7.646 -9.237 1.00 0.00 S ATOM 854 CE MET A 58 -10.434 7.523 -10.876 1.00 0.00 C ATOM 0 H MET A 58 -10.243 4.380 -10.502 1.00 0.00 H new ATOM 0 HA MET A 58 -7.964 5.290 -9.026 1.00 0.00 H new ATOM 0 HB2 MET A 58 -10.917 5.056 -8.688 1.00 0.00 H new ATOM 0 HB3 MET A 58 -9.986 5.005 -7.204 1.00 0.00 H new ATOM 0 HG2 MET A 58 -9.880 7.236 -7.244 1.00 0.00 H new ATOM 0 HG3 MET A 58 -8.871 7.131 -8.673 1.00 0.00 H new ATOM 0 HE1 MET A 58 -10.175 8.519 -11.236 1.00 0.00 H new ATOM 0 HE2 MET A 58 -9.537 6.905 -10.841 1.00 0.00 H new ATOM 0 HE3 MET A 58 -11.160 7.071 -11.551 1.00 0.00 H new ATOM 864 N MET A 59 -7.133 3.205 -7.980 1.00 0.00 N ATOM 865 CA MET A 59 -6.631 2.038 -7.261 1.00 0.00 C ATOM 866 C MET A 59 -5.308 2.343 -6.568 1.00 0.00 C ATOM 867 O MET A 59 -4.440 3.014 -7.129 1.00 0.00 O ATOM 868 CB MET A 59 -6.450 0.858 -8.219 1.00 0.00 C ATOM 869 CG MET A 59 -7.593 0.689 -9.207 1.00 0.00 C ATOM 870 SD MET A 59 -7.358 -0.721 -10.306 1.00 0.00 S ATOM 871 CE MET A 59 -5.960 -0.164 -11.278 1.00 0.00 C ATOM 0 H MET A 59 -6.411 3.864 -8.273 1.00 0.00 H new ATOM 0 HA MET A 59 -7.367 1.776 -6.501 1.00 0.00 H new ATOM 0 HB2 MET A 59 -5.520 0.991 -8.772 1.00 0.00 H new ATOM 0 HB3 MET A 59 -6.347 -0.058 -7.637 1.00 0.00 H new ATOM 0 HG2 MET A 59 -8.527 0.566 -8.659 1.00 0.00 H new ATOM 0 HG3 MET A 59 -7.691 1.597 -9.803 1.00 0.00 H new ATOM 0 HE1 MET A 59 -5.391 -1.027 -11.624 1.00 0.00 H new ATOM 0 HE2 MET A 59 -6.317 0.403 -12.137 1.00 0.00 H new ATOM 0 HE3 MET A 59 -5.320 0.471 -10.665 1.00 0.00 H new ATOM 881 N LEU A 60 -5.158 1.841 -5.346 1.00 0.00 N ATOM 882 CA LEU A 60 -3.936 2.054 -4.576 1.00 0.00 C ATOM 883 C LEU A 60 -3.360 0.727 -4.086 1.00 0.00 C ATOM 884 O LEU A 60 -4.100 -0.165 -3.671 1.00 0.00 O ATOM 885 CB LEU A 60 -4.210 2.970 -3.382 1.00 0.00 C ATOM 886 CG LEU A 60 -4.167 4.468 -3.687 1.00 0.00 C ATOM 887 CD1 LEU A 60 -5.102 4.807 -4.837 1.00 0.00 C ATOM 888 CD2 LEU A 60 -4.531 5.273 -2.448 1.00 0.00 C ATOM 0 H LEU A 60 -5.866 1.284 -4.868 1.00 0.00 H new ATOM 0 HA LEU A 60 -3.206 2.529 -5.232 1.00 0.00 H new ATOM 0 HB2 LEU A 60 -5.192 2.726 -2.975 1.00 0.00 H new ATOM 0 HB3 LEU A 60 -3.479 2.753 -2.603 1.00 0.00 H new ATOM 0 HG LEU A 60 -3.151 4.730 -3.983 1.00 0.00 H new ATOM 0 HD11 LEU A 60 -5.057 5.877 -5.039 1.00 0.00 H new ATOM 0 HD12 LEU A 60 -4.798 4.257 -5.727 1.00 0.00 H new ATOM 0 HD13 LEU A 60 -6.122 4.530 -4.570 1.00 0.00 H new ATOM 0 HD21 LEU A 60 -4.496 6.337 -2.682 1.00 0.00 H new ATOM 0 HD22 LEU A 60 -5.537 5.006 -2.123 1.00 0.00 H new ATOM 0 HD23 LEU A 60 -3.822 5.053 -1.650 1.00 0.00 H new ATOM 900 N ARG A 61 -2.036 0.606 -4.133 1.00 0.00 N ATOM 901 CA ARG A 61 -1.363 -0.609 -3.688 1.00 0.00 C ATOM 902 C ARG A 61 -0.507 -0.335 -2.457 1.00 0.00 C ATOM 903 O ARG A 61 -0.034 0.784 -2.254 1.00 0.00 O ATOM 904 CB ARG A 61 -0.501 -1.184 -4.814 1.00 0.00 C ATOM 905 CG ARG A 61 -1.232 -2.196 -5.680 1.00 0.00 C ATOM 906 CD ARG A 61 -0.262 -3.042 -6.489 1.00 0.00 C ATOM 907 NE ARG A 61 -0.688 -4.437 -6.568 1.00 0.00 N ATOM 908 CZ ARG A 61 0.069 -5.417 -7.057 1.00 0.00 C ATOM 909 NH1 ARG A 61 1.289 -5.159 -7.511 1.00 0.00 N ATOM 910 NH2 ARG A 61 -0.396 -6.658 -7.093 1.00 0.00 N ATOM 0 H ARG A 61 -1.409 1.334 -4.475 1.00 0.00 H new ATOM 0 HA ARG A 61 -2.125 -1.341 -3.420 1.00 0.00 H new ATOM 0 HB2 ARG A 61 -0.147 -0.367 -5.443 1.00 0.00 H new ATOM 0 HB3 ARG A 61 0.380 -1.657 -4.381 1.00 0.00 H new ATOM 0 HG2 ARG A 61 -1.842 -2.843 -5.049 1.00 0.00 H new ATOM 0 HG3 ARG A 61 -1.912 -1.675 -6.354 1.00 0.00 H new ATOM 0 HD2 ARG A 61 -0.175 -2.632 -7.495 1.00 0.00 H new ATOM 0 HD3 ARG A 61 0.729 -2.990 -6.037 1.00 0.00 H new ATOM 0 HE ARG A 61 -1.620 -4.674 -6.229 1.00 0.00 H new ATOM 0 HH11 ARG A 61 1.651 -4.206 -7.486 1.00 0.00 H new ATOM 0 HH12 ARG A 61 1.864 -5.914 -7.884 1.00 0.00 H new ATOM 0 HH21 ARG A 61 -1.333 -6.862 -6.746 1.00 0.00 H new ATOM 0 HH22 ARG A 61 0.184 -7.409 -7.468 1.00 0.00 H new ATOM 924 N LEU A 62 -0.323 -1.359 -1.630 1.00 0.00 N ATOM 925 CA LEU A 62 0.465 -1.225 -0.409 1.00 0.00 C ATOM 926 C LEU A 62 1.542 -2.303 -0.321 1.00 0.00 C ATOM 927 O LEU A 62 1.239 -3.483 -0.136 1.00 0.00 O ATOM 928 CB LEU A 62 -0.458 -1.310 0.811 1.00 0.00 C ATOM 929 CG LEU A 62 -0.178 -0.320 1.955 1.00 0.00 C ATOM 930 CD1 LEU A 62 0.698 0.840 1.511 1.00 0.00 C ATOM 931 CD2 LEU A 62 -1.485 0.204 2.516 1.00 0.00 C ATOM 0 H LEU A 62 -0.709 -2.291 -1.783 1.00 0.00 H new ATOM 0 HA LEU A 62 0.961 -0.255 -0.429 1.00 0.00 H new ATOM 0 HB2 LEU A 62 -1.484 -1.160 0.474 1.00 0.00 H new ATOM 0 HB3 LEU A 62 -0.399 -2.321 1.213 1.00 0.00 H new ATOM 0 HG LEU A 62 0.366 -0.861 2.729 1.00 0.00 H new ATOM 0 HD11 LEU A 62 0.867 1.511 2.353 1.00 0.00 H new ATOM 0 HD12 LEU A 62 1.654 0.458 1.154 1.00 0.00 H new ATOM 0 HD13 LEU A 62 0.202 1.384 0.708 1.00 0.00 H new ATOM 0 HD21 LEU A 62 -1.279 0.904 3.325 1.00 0.00 H new ATOM 0 HD22 LEU A 62 -2.041 0.713 1.729 1.00 0.00 H new ATOM 0 HD23 LEU A 62 -2.077 -0.628 2.898 1.00 0.00 H new ATOM 943 N ILE A 63 2.799 -1.890 -0.440 1.00 0.00 N ATOM 944 CA ILE A 63 3.918 -2.821 -0.360 1.00 0.00 C ATOM 945 C ILE A 63 4.354 -3.007 1.090 1.00 0.00 C ATOM 946 O ILE A 63 4.491 -2.037 1.832 1.00 0.00 O ATOM 947 CB ILE A 63 5.120 -2.332 -1.197 1.00 0.00 C ATOM 948 CG1 ILE A 63 4.730 -2.235 -2.671 1.00 0.00 C ATOM 949 CG2 ILE A 63 6.312 -3.263 -1.024 1.00 0.00 C ATOM 950 CD1 ILE A 63 4.205 -3.535 -3.237 1.00 0.00 C ATOM 0 H ILE A 63 3.068 -0.918 -0.592 1.00 0.00 H new ATOM 0 HA ILE A 63 3.579 -3.775 -0.765 1.00 0.00 H new ATOM 0 HB ILE A 63 5.407 -1.342 -0.843 1.00 0.00 H new ATOM 0 HG12 ILE A 63 3.970 -1.462 -2.789 1.00 0.00 H new ATOM 0 HG13 ILE A 63 5.598 -1.919 -3.249 1.00 0.00 H new ATOM 0 HG21 ILE A 63 7.147 -2.900 -1.622 1.00 0.00 H new ATOM 0 HG22 ILE A 63 6.603 -3.291 0.026 1.00 0.00 H new ATOM 0 HG23 ILE A 63 6.040 -4.266 -1.352 1.00 0.00 H new ATOM 0 HD11 ILE A 63 3.947 -3.397 -4.287 1.00 0.00 H new ATOM 0 HD12 ILE A 63 4.971 -4.305 -3.150 1.00 0.00 H new ATOM 0 HD13 ILE A 63 3.318 -3.841 -2.682 1.00 0.00 H new ATOM 962 N GLY A 64 4.564 -4.258 1.485 1.00 0.00 N ATOM 963 CA GLY A 64 4.977 -4.547 2.848 1.00 0.00 C ATOM 964 C GLY A 64 6.466 -4.807 2.965 1.00 0.00 C ATOM 965 O GLY A 64 7.157 -4.952 1.957 1.00 0.00 O ATOM 0 H GLY A 64 4.456 -5.077 0.887 1.00 0.00 H new ATOM 0 HA2 GLY A 64 4.707 -3.709 3.491 1.00 0.00 H new ATOM 0 HA3 GLY A 64 4.431 -5.417 3.212 1.00 0.00 H new ATOM 969 N LYS A 65 6.961 -4.867 4.198 1.00 0.00 N ATOM 970 CA LYS A 65 8.378 -5.113 4.438 1.00 0.00 C ATOM 971 C LYS A 65 8.732 -6.568 4.149 1.00 0.00 C ATOM 972 O LYS A 65 7.982 -7.481 4.498 1.00 0.00 O ATOM 973 CB LYS A 65 8.745 -4.762 5.881 1.00 0.00 C ATOM 974 CG LYS A 65 10.002 -3.917 6.001 1.00 0.00 C ATOM 975 CD LYS A 65 9.887 -2.626 5.204 1.00 0.00 C ATOM 976 CE LYS A 65 9.774 -1.414 6.116 1.00 0.00 C ATOM 977 NZ LYS A 65 11.109 -0.850 6.458 1.00 0.00 N ATOM 0 H LYS A 65 6.403 -4.749 5.044 1.00 0.00 H new ATOM 0 HA LYS A 65 8.950 -4.476 3.763 1.00 0.00 H new ATOM 0 HB2 LYS A 65 7.913 -4.227 6.339 1.00 0.00 H new ATOM 0 HB3 LYS A 65 8.882 -5.684 6.447 1.00 0.00 H new ATOM 0 HG2 LYS A 65 10.185 -3.683 7.050 1.00 0.00 H new ATOM 0 HG3 LYS A 65 10.860 -4.488 5.648 1.00 0.00 H new ATOM 0 HD2 LYS A 65 10.759 -2.517 4.559 1.00 0.00 H new ATOM 0 HD3 LYS A 65 9.014 -2.676 4.554 1.00 0.00 H new ATOM 0 HE2 LYS A 65 9.170 -0.648 5.629 1.00 0.00 H new ATOM 0 HE3 LYS A 65 9.254 -1.696 7.031 1.00 0.00 H new ATOM 0 HZ1 LYS A 65 10.988 -0.026 7.081 1.00 0.00 H new ATOM 0 HZ2 LYS A 65 11.676 -1.572 6.946 1.00 0.00 H new ATOM 0 HZ3 LYS A 65 11.596 -0.557 5.587 1.00 0.00 H new ATOM 991 N VAL A 66 9.876 -6.776 3.508 1.00 0.00 N ATOM 992 CA VAL A 66 10.336 -8.095 3.166 1.00 0.00 C ATOM 993 C VAL A 66 11.533 -8.472 4.032 1.00 0.00 C ATOM 994 O VAL A 66 11.464 -8.432 5.261 1.00 0.00 O ATOM 995 CB VAL A 66 10.655 -8.151 1.653 1.00 0.00 C ATOM 996 CG1 VAL A 66 11.794 -7.204 1.291 1.00 0.00 C ATOM 997 CG2 VAL A 66 10.945 -9.578 1.205 1.00 0.00 C ATOM 0 H VAL A 66 10.504 -6.027 3.215 1.00 0.00 H new ATOM 0 HA VAL A 66 9.557 -8.831 3.366 1.00 0.00 H new ATOM 0 HB VAL A 66 9.771 -7.813 1.113 1.00 0.00 H new ATOM 0 HG11 VAL A 66 11.994 -7.267 0.221 1.00 0.00 H new ATOM 0 HG12 VAL A 66 11.514 -6.183 1.548 1.00 0.00 H new ATOM 0 HG13 VAL A 66 12.690 -7.484 1.844 1.00 0.00 H new ATOM 0 HG21 VAL A 66 11.166 -9.586 0.138 1.00 0.00 H new ATOM 0 HG22 VAL A 66 11.802 -9.965 1.756 1.00 0.00 H new ATOM 0 HG23 VAL A 66 10.075 -10.205 1.401 1.00 0.00 H new ATOM 1007 N ASP A 67 12.606 -8.831 3.390 1.00 0.00 N ATOM 1008 CA ASP A 67 13.835 -9.222 4.072 1.00 0.00 C ATOM 1009 C ASP A 67 14.934 -9.546 3.064 1.00 0.00 C ATOM 1010 O ASP A 67 15.119 -10.702 2.684 1.00 0.00 O ATOM 1011 CB ASP A 67 13.582 -10.431 4.974 1.00 0.00 C ATOM 1012 CG ASP A 67 14.809 -10.819 5.777 1.00 0.00 C ATOM 1013 OD1 ASP A 67 15.632 -9.928 6.073 1.00 0.00 O ATOM 1014 OD2 ASP A 67 14.947 -12.015 6.110 1.00 0.00 O ATOM 0 H ASP A 67 12.668 -8.866 2.372 1.00 0.00 H new ATOM 0 HA ASP A 67 14.163 -8.384 4.686 1.00 0.00 H new ATOM 0 HB2 ASP A 67 12.761 -10.207 5.655 1.00 0.00 H new ATOM 0 HB3 ASP A 67 13.268 -11.277 4.363 1.00 0.00 H new ATOM 1019 N GLU A 68 15.658 -8.518 2.634 1.00 0.00 N ATOM 1020 CA GLU A 68 16.738 -8.694 1.670 1.00 0.00 C ATOM 1021 C GLU A 68 18.091 -8.742 2.369 1.00 0.00 C ATOM 1022 O GLU A 68 19.111 -8.354 1.798 1.00 0.00 O ATOM 1023 CB GLU A 68 16.721 -7.561 0.642 1.00 0.00 C ATOM 1024 CG GLU A 68 15.556 -7.638 -0.331 1.00 0.00 C ATOM 1025 CD GLU A 68 15.912 -7.116 -1.709 1.00 0.00 C ATOM 1026 OE1 GLU A 68 16.990 -7.482 -2.222 1.00 0.00 O ATOM 1027 OE2 GLU A 68 15.111 -6.343 -2.276 1.00 0.00 O ATOM 0 H GLU A 68 15.517 -7.555 2.938 1.00 0.00 H new ATOM 0 HA GLU A 68 16.582 -9.643 1.158 1.00 0.00 H new ATOM 0 HB2 GLU A 68 16.682 -6.606 1.167 1.00 0.00 H new ATOM 0 HB3 GLU A 68 17.655 -7.578 0.080 1.00 0.00 H new ATOM 0 HG2 GLU A 68 15.224 -8.673 -0.413 1.00 0.00 H new ATOM 0 HG3 GLU A 68 14.718 -7.065 0.065 1.00 0.00 H new ATOM 1034 N SER A 69 18.095 -9.220 3.610 1.00 0.00 N ATOM 1035 CA SER A 69 19.325 -9.318 4.387 1.00 0.00 C ATOM 1036 C SER A 69 19.805 -10.764 4.479 1.00 0.00 C ATOM 1037 O SER A 69 20.978 -11.021 4.749 1.00 0.00 O ATOM 1038 CB SER A 69 19.112 -8.750 5.791 1.00 0.00 C ATOM 1039 OG SER A 69 20.257 -8.042 6.235 1.00 0.00 O ATOM 0 H SER A 69 17.261 -9.545 4.098 1.00 0.00 H new ATOM 0 HA SER A 69 20.091 -8.735 3.876 1.00 0.00 H new ATOM 0 HB2 SER A 69 18.248 -8.086 5.791 1.00 0.00 H new ATOM 0 HB3 SER A 69 18.891 -9.561 6.485 1.00 0.00 H new ATOM 0 HG SER A 69 20.094 -7.688 7.134 1.00 0.00 H new ATOM 1045 N LYS A 70 18.894 -11.703 4.252 1.00 0.00 N ATOM 1046 CA LYS A 70 19.227 -13.122 4.309 1.00 0.00 C ATOM 1047 C LYS A 70 19.027 -13.784 2.951 1.00 0.00 C ATOM 1048 O LYS A 70 19.821 -14.629 2.538 1.00 0.00 O ATOM 1049 CB LYS A 70 18.370 -13.825 5.364 1.00 0.00 C ATOM 1050 CG LYS A 70 18.549 -13.267 6.766 1.00 0.00 C ATOM 1051 CD LYS A 70 19.885 -13.679 7.362 1.00 0.00 C ATOM 1052 CE LYS A 70 19.892 -13.525 8.874 1.00 0.00 C ATOM 1053 NZ LYS A 70 19.803 -12.098 9.287 1.00 0.00 N ATOM 0 H LYS A 70 17.919 -11.508 4.027 1.00 0.00 H new ATOM 0 HA LYS A 70 20.278 -13.212 4.584 1.00 0.00 H new ATOM 0 HB2 LYS A 70 17.321 -13.743 5.081 1.00 0.00 H new ATOM 0 HB3 LYS A 70 18.616 -14.887 5.371 1.00 0.00 H new ATOM 0 HG2 LYS A 70 18.482 -12.179 6.737 1.00 0.00 H new ATOM 0 HG3 LYS A 70 17.740 -13.620 7.405 1.00 0.00 H new ATOM 0 HD2 LYS A 70 20.097 -14.715 7.100 1.00 0.00 H new ATOM 0 HD3 LYS A 70 20.680 -13.072 6.930 1.00 0.00 H new ATOM 0 HE2 LYS A 70 19.055 -14.079 9.299 1.00 0.00 H new ATOM 0 HE3 LYS A 70 20.804 -13.964 9.279 1.00 0.00 H new ATOM 0 HZ1 LYS A 70 19.811 -12.036 10.325 1.00 0.00 H new ATOM 0 HZ2 LYS A 70 20.615 -11.574 8.903 1.00 0.00 H new ATOM 0 HZ3 LYS A 70 18.921 -11.685 8.922 1.00 0.00 H new ATOM 1067 N LYS A 71 17.960 -13.397 2.259 1.00 0.00 N ATOM 1068 CA LYS A 71 17.655 -13.954 0.947 1.00 0.00 C ATOM 1069 C LYS A 71 17.418 -15.458 1.037 1.00 0.00 C ATOM 1070 O LYS A 71 17.883 -16.116 1.967 1.00 0.00 O ATOM 1071 CB LYS A 71 18.795 -13.663 -0.032 1.00 0.00 C ATOM 1072 CG LYS A 71 19.030 -12.181 -0.269 1.00 0.00 C ATOM 1073 CD LYS A 71 18.125 -11.641 -1.364 1.00 0.00 C ATOM 1074 CE LYS A 71 18.771 -10.478 -2.099 1.00 0.00 C ATOM 1075 NZ LYS A 71 19.439 -10.918 -3.355 1.00 0.00 N ATOM 0 H LYS A 71 17.292 -12.699 2.586 1.00 0.00 H new ATOM 0 HA LYS A 71 16.743 -13.481 0.582 1.00 0.00 H new ATOM 0 HB2 LYS A 71 19.713 -14.112 0.348 1.00 0.00 H new ATOM 0 HB3 LYS A 71 18.576 -14.145 -0.985 1.00 0.00 H new ATOM 0 HG2 LYS A 71 18.852 -11.631 0.655 1.00 0.00 H new ATOM 0 HG3 LYS A 71 20.072 -12.016 -0.543 1.00 0.00 H new ATOM 0 HD2 LYS A 71 17.894 -12.437 -2.072 1.00 0.00 H new ATOM 0 HD3 LYS A 71 17.179 -11.317 -0.929 1.00 0.00 H new ATOM 0 HE2 LYS A 71 18.013 -9.731 -2.333 1.00 0.00 H new ATOM 0 HE3 LYS A 71 19.502 -9.998 -1.448 1.00 0.00 H new ATOM 0 HZ1 LYS A 71 20.442 -10.643 -3.330 1.00 0.00 H new ATOM 0 HZ2 LYS A 71 19.366 -11.952 -3.443 1.00 0.00 H new ATOM 0 HZ3 LYS A 71 18.977 -10.468 -4.170 1.00 0.00 H new ATOM 1089 N ARG A 72 16.690 -15.996 0.064 1.00 0.00 N ATOM 1090 CA ARG A 72 16.390 -17.423 0.034 1.00 0.00 C ATOM 1091 C ARG A 72 15.955 -17.858 -1.362 1.00 0.00 C ATOM 1092 O ARG A 72 15.888 -17.046 -2.284 1.00 0.00 O ATOM 1093 CB ARG A 72 15.295 -17.757 1.049 1.00 0.00 C ATOM 1094 CG ARG A 72 14.085 -16.842 0.961 1.00 0.00 C ATOM 1095 CD ARG A 72 13.051 -17.380 -0.015 1.00 0.00 C ATOM 1096 NE ARG A 72 11.732 -16.789 0.204 1.00 0.00 N ATOM 1097 CZ ARG A 72 10.601 -17.306 -0.270 1.00 0.00 C ATOM 1098 NH1 ARG A 72 10.622 -18.422 -0.987 1.00 0.00 N ATOM 1099 NH2 ARG A 72 9.444 -16.705 -0.024 1.00 0.00 N ATOM 0 H ARG A 72 16.297 -15.466 -0.714 1.00 0.00 H new ATOM 0 HA ARG A 72 17.298 -17.965 0.298 1.00 0.00 H new ATOM 0 HB2 ARG A 72 14.973 -18.787 0.898 1.00 0.00 H new ATOM 0 HB3 ARG A 72 15.713 -17.698 2.054 1.00 0.00 H new ATOM 0 HG2 ARG A 72 13.635 -16.736 1.948 1.00 0.00 H new ATOM 0 HG3 ARG A 72 14.401 -15.848 0.646 1.00 0.00 H new ATOM 0 HD2 ARG A 72 13.375 -17.176 -1.036 1.00 0.00 H new ATOM 0 HD3 ARG A 72 12.985 -18.463 0.088 1.00 0.00 H new ATOM 0 HE ARG A 72 11.675 -15.931 0.752 1.00 0.00 H new ATOM 0 HH11 ARG A 72 11.509 -18.889 -1.178 1.00 0.00 H new ATOM 0 HH12 ARG A 72 9.752 -18.813 -1.347 1.00 0.00 H new ATOM 0 HH21 ARG A 72 9.422 -15.848 0.528 1.00 0.00 H new ATOM 0 HH22 ARG A 72 8.577 -17.100 -0.387 1.00 0.00 H new ATOM 1113 N LYS A 73 15.661 -19.146 -1.510 1.00 0.00 N ATOM 1114 CA LYS A 73 15.231 -19.690 -2.793 1.00 0.00 C ATOM 1115 C LYS A 73 13.711 -19.762 -2.872 1.00 0.00 C ATOM 1116 O LYS A 73 13.010 -19.327 -1.957 1.00 0.00 O ATOM 1117 CB LYS A 73 15.831 -21.081 -3.007 1.00 0.00 C ATOM 1118 CG LYS A 73 17.351 -21.101 -2.967 1.00 0.00 C ATOM 1119 CD LYS A 73 17.872 -20.964 -1.545 1.00 0.00 C ATOM 1120 CE LYS A 73 19.280 -21.519 -1.413 1.00 0.00 C ATOM 1121 NZ LYS A 73 19.634 -21.803 0.006 1.00 0.00 N ATOM 0 H LYS A 73 15.713 -19.832 -0.757 1.00 0.00 H new ATOM 0 HA LYS A 73 15.586 -19.023 -3.579 1.00 0.00 H new ATOM 0 HB2 LYS A 73 15.447 -21.755 -2.241 1.00 0.00 H new ATOM 0 HB3 LYS A 73 15.496 -21.468 -3.969 1.00 0.00 H new ATOM 0 HG2 LYS A 73 17.715 -22.032 -3.401 1.00 0.00 H new ATOM 0 HG3 LYS A 73 17.743 -20.289 -3.579 1.00 0.00 H new ATOM 0 HD2 LYS A 73 17.865 -19.914 -1.253 1.00 0.00 H new ATOM 0 HD3 LYS A 73 17.207 -21.490 -0.860 1.00 0.00 H new ATOM 0 HE2 LYS A 73 19.366 -22.434 -1.999 1.00 0.00 H new ATOM 0 HE3 LYS A 73 19.992 -20.806 -1.829 1.00 0.00 H new ATOM 0 HZ1 LYS A 73 20.602 -22.180 0.054 1.00 0.00 H new ATOM 0 HZ2 LYS A 73 19.577 -20.925 0.560 1.00 0.00 H new ATOM 0 HZ3 LYS A 73 18.971 -22.502 0.396 1.00 0.00 H new ATOM 1135 N ASP A 74 13.205 -20.313 -3.970 1.00 0.00 N ATOM 1136 CA ASP A 74 11.766 -20.441 -4.168 1.00 0.00 C ATOM 1137 C ASP A 74 11.299 -21.867 -3.887 1.00 0.00 C ATOM 1138 O ASP A 74 10.286 -22.315 -4.424 1.00 0.00 O ATOM 1139 CB ASP A 74 11.389 -20.042 -5.596 1.00 0.00 C ATOM 1140 CG ASP A 74 10.033 -19.368 -5.670 1.00 0.00 C ATOM 1141 OD1 ASP A 74 9.812 -18.396 -4.918 1.00 0.00 O ATOM 1142 OD2 ASP A 74 9.193 -19.812 -6.480 1.00 0.00 O ATOM 0 H ASP A 74 13.770 -20.678 -4.737 1.00 0.00 H new ATOM 0 HA ASP A 74 11.269 -19.771 -3.466 1.00 0.00 H new ATOM 0 HB2 ASP A 74 12.148 -19.369 -5.995 1.00 0.00 H new ATOM 0 HB3 ASP A 74 11.386 -20.929 -6.229 1.00 0.00 H new ATOM 1147 N ASN A 75 12.048 -22.578 -3.043 1.00 0.00 N ATOM 1148 CA ASN A 75 11.715 -23.957 -2.685 1.00 0.00 C ATOM 1149 C ASN A 75 12.067 -24.932 -3.809 1.00 0.00 C ATOM 1150 O ASN A 75 11.854 -26.138 -3.680 1.00 0.00 O ATOM 1151 CB ASN A 75 10.228 -24.079 -2.346 1.00 0.00 C ATOM 1152 CG ASN A 75 9.935 -25.260 -1.442 1.00 0.00 C ATOM 1153 OD1 ASN A 75 10.756 -26.165 -1.298 1.00 0.00 O ATOM 1154 ND2 ASN A 75 8.758 -25.257 -0.825 1.00 0.00 N ATOM 0 H ASN A 75 12.891 -22.220 -2.594 1.00 0.00 H new ATOM 0 HA ASN A 75 12.309 -24.217 -1.809 1.00 0.00 H new ATOM 0 HB2 ASN A 75 9.893 -23.162 -1.861 1.00 0.00 H new ATOM 0 HB3 ASN A 75 9.655 -24.180 -3.268 1.00 0.00 H new ATOM 0 HD21 ASN A 75 8.506 -26.026 -0.204 1.00 0.00 H new ATOM 0 HD22 ASN A 75 8.107 -24.486 -0.973 1.00 0.00 H new ATOM 1161 N GLU A 76 12.605 -24.411 -4.909 1.00 0.00 N ATOM 1162 CA GLU A 76 12.980 -25.246 -6.044 1.00 0.00 C ATOM 1163 C GLU A 76 14.493 -25.384 -6.133 1.00 0.00 C ATOM 1164 O GLU A 76 15.013 -26.399 -6.596 1.00 0.00 O ATOM 1165 CB GLU A 76 12.438 -24.649 -7.345 1.00 0.00 C ATOM 1166 CG GLU A 76 11.198 -23.790 -7.158 1.00 0.00 C ATOM 1167 CD GLU A 76 10.691 -23.204 -8.462 1.00 0.00 C ATOM 1168 OE1 GLU A 76 9.970 -23.917 -9.191 1.00 0.00 O ATOM 1169 OE2 GLU A 76 11.014 -22.033 -8.751 1.00 0.00 O ATOM 0 H GLU A 76 12.790 -23.416 -5.037 1.00 0.00 H new ATOM 0 HA GLU A 76 12.546 -26.235 -5.897 1.00 0.00 H new ATOM 0 HB2 GLU A 76 13.219 -24.047 -7.810 1.00 0.00 H new ATOM 0 HB3 GLU A 76 12.206 -25.459 -8.036 1.00 0.00 H new ATOM 0 HG2 GLU A 76 10.410 -24.390 -6.703 1.00 0.00 H new ATOM 0 HG3 GLU A 76 11.423 -22.981 -6.464 1.00 0.00 H new ATOM 1176 N GLY A 77 15.189 -24.352 -5.682 1.00 0.00 N ATOM 1177 CA GLY A 77 16.640 -24.359 -5.711 1.00 0.00 C ATOM 1178 C GLY A 77 17.212 -23.195 -6.496 1.00 0.00 C ATOM 1179 O GLY A 77 18.264 -23.319 -7.123 1.00 0.00 O ATOM 0 H GLY A 77 14.774 -23.505 -5.294 1.00 0.00 H new ATOM 0 HA2 GLY A 77 17.020 -24.326 -4.690 1.00 0.00 H new ATOM 0 HA3 GLY A 77 16.987 -25.294 -6.150 1.00 0.00 H new ATOM 1183 N ASN A 78 16.519 -22.061 -6.460 1.00 0.00 N ATOM 1184 CA ASN A 78 16.965 -20.869 -7.174 1.00 0.00 C ATOM 1185 C ASN A 78 17.086 -19.681 -6.225 1.00 0.00 C ATOM 1186 O ASN A 78 16.082 -19.145 -5.755 1.00 0.00 O ATOM 1187 CB ASN A 78 15.995 -20.535 -8.308 1.00 0.00 C ATOM 1188 CG ASN A 78 15.825 -21.685 -9.280 1.00 0.00 C ATOM 1189 OD1 ASN A 78 16.682 -21.927 -10.131 1.00 0.00 O ATOM 1190 ND2 ASN A 78 14.714 -22.402 -9.161 1.00 0.00 N ATOM 0 H ASN A 78 15.647 -21.942 -5.944 1.00 0.00 H new ATOM 0 HA ASN A 78 17.948 -21.075 -7.597 1.00 0.00 H new ATOM 0 HB2 ASN A 78 15.025 -20.272 -7.887 1.00 0.00 H new ATOM 0 HB3 ASN A 78 16.357 -19.659 -8.846 1.00 0.00 H new ATOM 0 HD21 ASN A 78 14.545 -23.188 -9.789 1.00 0.00 H new ATOM 0 HD22 ASN A 78 14.030 -22.167 -8.442 1.00 0.00 H new ATOM 1197 N GLU A 79 18.320 -19.276 -5.945 1.00 0.00 N ATOM 1198 CA GLU A 79 18.573 -18.152 -5.051 1.00 0.00 C ATOM 1199 C GLU A 79 17.909 -16.880 -5.571 1.00 0.00 C ATOM 1200 O GLU A 79 18.521 -16.101 -6.301 1.00 0.00 O ATOM 1201 CB GLU A 79 20.078 -17.926 -4.894 1.00 0.00 C ATOM 1202 CG GLU A 79 20.447 -17.133 -3.650 1.00 0.00 C ATOM 1203 CD GLU A 79 21.904 -16.711 -3.640 1.00 0.00 C ATOM 1204 OE1 GLU A 79 22.751 -17.491 -4.124 1.00 0.00 O ATOM 1205 OE2 GLU A 79 22.196 -15.601 -3.147 1.00 0.00 O ATOM 0 H GLU A 79 19.161 -19.710 -6.325 1.00 0.00 H new ATOM 0 HA GLU A 79 18.144 -18.392 -4.078 1.00 0.00 H new ATOM 0 HB2 GLU A 79 20.581 -18.893 -4.861 1.00 0.00 H new ATOM 0 HB3 GLU A 79 20.452 -17.402 -5.773 1.00 0.00 H new ATOM 0 HG2 GLU A 79 19.815 -16.247 -3.587 1.00 0.00 H new ATOM 0 HG3 GLU A 79 20.241 -17.735 -2.765 1.00 0.00 H new ATOM 1212 N VAL A 80 16.652 -16.677 -5.188 1.00 0.00 N ATOM 1213 CA VAL A 80 15.905 -15.499 -5.614 1.00 0.00 C ATOM 1214 C VAL A 80 15.661 -14.552 -4.444 1.00 0.00 C ATOM 1215 O VAL A 80 16.155 -14.776 -3.339 1.00 0.00 O ATOM 1216 CB VAL A 80 14.552 -15.889 -6.244 1.00 0.00 C ATOM 1217 CG1 VAL A 80 14.763 -16.821 -7.427 1.00 0.00 C ATOM 1218 CG2 VAL A 80 13.639 -16.531 -5.208 1.00 0.00 C ATOM 0 H VAL A 80 16.130 -17.312 -4.584 1.00 0.00 H new ATOM 0 HA VAL A 80 16.511 -14.992 -6.365 1.00 0.00 H new ATOM 0 HB VAL A 80 14.069 -14.981 -6.605 1.00 0.00 H new ATOM 0 HG11 VAL A 80 13.798 -17.085 -7.859 1.00 0.00 H new ATOM 0 HG12 VAL A 80 15.372 -16.321 -8.180 1.00 0.00 H new ATOM 0 HG13 VAL A 80 15.270 -17.726 -7.092 1.00 0.00 H new ATOM 0 HG21 VAL A 80 12.691 -16.798 -5.674 1.00 0.00 H new ATOM 0 HG22 VAL A 80 14.114 -17.428 -4.811 1.00 0.00 H new ATOM 0 HG23 VAL A 80 13.458 -15.827 -4.396 1.00 0.00 H new ATOM 1228 N VAL A 81 14.893 -13.496 -4.691 1.00 0.00 N ATOM 1229 CA VAL A 81 14.584 -12.518 -3.656 1.00 0.00 C ATOM 1230 C VAL A 81 13.126 -12.635 -3.214 1.00 0.00 C ATOM 1231 O VAL A 81 12.223 -12.700 -4.047 1.00 0.00 O ATOM 1232 CB VAL A 81 14.847 -11.081 -4.141 1.00 0.00 C ATOM 1233 CG1 VAL A 81 14.686 -10.091 -2.998 1.00 0.00 C ATOM 1234 CG2 VAL A 81 16.234 -10.972 -4.757 1.00 0.00 C ATOM 0 H VAL A 81 14.474 -13.296 -5.599 1.00 0.00 H new ATOM 0 HA VAL A 81 15.239 -12.731 -2.812 1.00 0.00 H new ATOM 0 HB VAL A 81 14.112 -10.837 -4.908 1.00 0.00 H new ATOM 0 HG11 VAL A 81 14.876 -9.081 -3.362 1.00 0.00 H new ATOM 0 HG12 VAL A 81 13.671 -10.150 -2.606 1.00 0.00 H new ATOM 0 HG13 VAL A 81 15.396 -10.331 -2.206 1.00 0.00 H new ATOM 0 HG21 VAL A 81 16.403 -9.949 -5.094 1.00 0.00 H new ATOM 0 HG22 VAL A 81 16.985 -11.237 -4.012 1.00 0.00 H new ATOM 0 HG23 VAL A 81 16.309 -11.651 -5.606 1.00 0.00 H new ATOM 1244 N PRO A 82 12.874 -12.664 -1.892 1.00 0.00 N ATOM 1245 CA PRO A 82 11.516 -12.773 -1.351 1.00 0.00 C ATOM 1246 C PRO A 82 10.658 -11.558 -1.685 1.00 0.00 C ATOM 1247 O PRO A 82 11.032 -10.422 -1.394 1.00 0.00 O ATOM 1248 CB PRO A 82 11.732 -12.877 0.159 1.00 0.00 C ATOM 1249 CG PRO A 82 13.067 -12.267 0.391 1.00 0.00 C ATOM 1250 CD PRO A 82 13.885 -12.591 -0.824 1.00 0.00 C ATOM 0 HA PRO A 82 10.981 -13.624 -1.774 1.00 0.00 H new ATOM 0 HB2 PRO A 82 10.954 -12.347 0.708 1.00 0.00 H new ATOM 0 HB3 PRO A 82 11.707 -13.915 0.492 1.00 0.00 H new ATOM 0 HG2 PRO A 82 12.985 -11.189 0.530 1.00 0.00 H new ATOM 0 HG3 PRO A 82 13.529 -12.670 1.292 1.00 0.00 H new ATOM 0 HD2 PRO A 82 14.631 -11.822 -1.026 1.00 0.00 H new ATOM 0 HD3 PRO A 82 14.421 -13.533 -0.710 1.00 0.00 H new ATOM 1258 N LYS A 83 9.505 -11.804 -2.298 1.00 0.00 N ATOM 1259 CA LYS A 83 8.594 -10.728 -2.670 1.00 0.00 C ATOM 1260 C LYS A 83 7.857 -10.190 -1.444 1.00 0.00 C ATOM 1261 O LYS A 83 7.388 -10.961 -0.607 1.00 0.00 O ATOM 1262 CB LYS A 83 7.585 -11.223 -3.709 1.00 0.00 C ATOM 1263 CG LYS A 83 8.229 -11.897 -4.910 1.00 0.00 C ATOM 1264 CD LYS A 83 8.317 -13.403 -4.722 1.00 0.00 C ATOM 1265 CE LYS A 83 8.171 -14.138 -6.044 1.00 0.00 C ATOM 1266 NZ LYS A 83 7.540 -15.476 -5.869 1.00 0.00 N ATOM 0 H LYS A 83 9.180 -12.738 -2.547 1.00 0.00 H new ATOM 0 HA LYS A 83 9.183 -9.919 -3.102 1.00 0.00 H new ATOM 0 HB2 LYS A 83 6.900 -11.925 -3.233 1.00 0.00 H new ATOM 0 HB3 LYS A 83 6.987 -10.379 -4.054 1.00 0.00 H new ATOM 0 HG2 LYS A 83 7.651 -11.674 -5.807 1.00 0.00 H new ATOM 0 HG3 LYS A 83 9.228 -11.490 -5.065 1.00 0.00 H new ATOM 0 HD2 LYS A 83 9.273 -13.659 -4.266 1.00 0.00 H new ATOM 0 HD3 LYS A 83 7.538 -13.731 -4.034 1.00 0.00 H new ATOM 0 HE2 LYS A 83 7.569 -13.539 -6.728 1.00 0.00 H new ATOM 0 HE3 LYS A 83 9.152 -14.257 -6.504 1.00 0.00 H new ATOM 0 HZ1 LYS A 83 7.458 -15.945 -6.794 1.00 0.00 H new ATOM 0 HZ2 LYS A 83 8.127 -16.057 -5.237 1.00 0.00 H new ATOM 0 HZ3 LYS A 83 6.593 -15.362 -5.454 1.00 0.00 H new ATOM 1280 N PRO A 84 7.743 -8.855 -1.320 1.00 0.00 N ATOM 1281 CA PRO A 84 7.060 -8.223 -0.189 1.00 0.00 C ATOM 1282 C PRO A 84 5.543 -8.313 -0.299 1.00 0.00 C ATOM 1283 O PRO A 84 4.994 -8.355 -1.400 1.00 0.00 O ATOM 1284 CB PRO A 84 7.512 -6.770 -0.280 1.00 0.00 C ATOM 1285 CG PRO A 84 7.740 -6.553 -1.730 1.00 0.00 C ATOM 1286 CD PRO A 84 8.271 -7.855 -2.268 1.00 0.00 C ATOM 0 HA PRO A 84 7.304 -8.707 0.757 1.00 0.00 H new ATOM 0 HB2 PRO A 84 6.754 -6.091 0.110 1.00 0.00 H new ATOM 0 HB3 PRO A 84 8.421 -6.598 0.297 1.00 0.00 H new ATOM 0 HG2 PRO A 84 6.814 -6.272 -2.232 1.00 0.00 H new ATOM 0 HG3 PRO A 84 8.451 -5.744 -1.896 1.00 0.00 H new ATOM 0 HD2 PRO A 84 7.924 -8.042 -3.284 1.00 0.00 H new ATOM 0 HD3 PRO A 84 9.361 -7.864 -2.297 1.00 0.00 H new ATOM 1294 N GLN A 85 4.868 -8.340 0.845 1.00 0.00 N ATOM 1295 CA GLN A 85 3.413 -8.420 0.868 1.00 0.00 C ATOM 1296 C GLN A 85 2.800 -7.208 0.174 1.00 0.00 C ATOM 1297 O GLN A 85 2.941 -6.078 0.638 1.00 0.00 O ATOM 1298 CB GLN A 85 2.904 -8.508 2.308 1.00 0.00 C ATOM 1299 CG GLN A 85 3.682 -9.490 3.169 1.00 0.00 C ATOM 1300 CD GLN A 85 2.969 -9.819 4.466 1.00 0.00 C ATOM 1301 OE1 GLN A 85 2.414 -8.939 5.124 1.00 0.00 O ATOM 1302 NE2 GLN A 85 2.982 -11.093 4.842 1.00 0.00 N ATOM 0 H GLN A 85 5.304 -8.308 1.766 1.00 0.00 H new ATOM 0 HA GLN A 85 3.113 -9.321 0.333 1.00 0.00 H new ATOM 0 HB2 GLN A 85 2.954 -7.519 2.763 1.00 0.00 H new ATOM 0 HB3 GLN A 85 1.854 -8.800 2.296 1.00 0.00 H new ATOM 0 HG2 GLN A 85 3.848 -10.409 2.606 1.00 0.00 H new ATOM 0 HG3 GLN A 85 4.663 -9.072 3.394 1.00 0.00 H new ATOM 0 HE21 GLN A 85 3.454 -11.790 4.266 1.00 0.00 H new ATOM 0 HE22 GLN A 85 2.520 -11.374 5.707 1.00 0.00 H new ATOM 1311 N ARG A 86 2.126 -7.451 -0.944 1.00 0.00 N ATOM 1312 CA ARG A 86 1.500 -6.377 -1.706 1.00 0.00 C ATOM 1313 C ARG A 86 -0.013 -6.377 -1.521 1.00 0.00 C ATOM 1314 O ARG A 86 -0.701 -7.305 -1.945 1.00 0.00 O ATOM 1315 CB ARG A 86 1.843 -6.513 -3.191 1.00 0.00 C ATOM 1316 CG ARG A 86 3.306 -6.830 -3.453 1.00 0.00 C ATOM 1317 CD ARG A 86 3.687 -6.548 -4.896 1.00 0.00 C ATOM 1318 NE ARG A 86 4.770 -7.413 -5.356 1.00 0.00 N ATOM 1319 CZ ARG A 86 5.129 -7.539 -6.632 1.00 0.00 C ATOM 1320 NH1 ARG A 86 4.494 -6.855 -7.576 1.00 0.00 N ATOM 1321 NH2 ARG A 86 6.126 -8.348 -6.964 1.00 0.00 N ATOM 0 H ARG A 86 1.999 -8.381 -1.343 1.00 0.00 H new ATOM 0 HA ARG A 86 1.889 -5.430 -1.331 1.00 0.00 H new ATOM 0 HB2 ARG A 86 1.226 -7.299 -3.627 1.00 0.00 H new ATOM 0 HB3 ARG A 86 1.584 -5.585 -3.701 1.00 0.00 H new ATOM 0 HG2 ARG A 86 3.933 -6.236 -2.787 1.00 0.00 H new ATOM 0 HG3 ARG A 86 3.499 -7.878 -3.223 1.00 0.00 H new ATOM 0 HD2 ARG A 86 2.815 -6.688 -5.535 1.00 0.00 H new ATOM 0 HD3 ARG A 86 3.990 -5.505 -4.994 1.00 0.00 H new ATOM 0 HE ARG A 86 5.282 -7.953 -4.658 1.00 0.00 H new ATOM 0 HH11 ARG A 86 3.728 -6.230 -7.325 1.00 0.00 H new ATOM 0 HH12 ARG A 86 4.772 -6.954 -8.552 1.00 0.00 H new ATOM 0 HH21 ARG A 86 6.618 -8.874 -6.242 1.00 0.00 H new ATOM 0 HH22 ARG A 86 6.401 -8.444 -7.942 1.00 0.00 H new ATOM 1335 N HIS A 87 -0.525 -5.323 -0.893 1.00 0.00 N ATOM 1336 CA HIS A 87 -1.959 -5.196 -0.660 1.00 0.00 C ATOM 1337 C HIS A 87 -2.612 -4.404 -1.787 1.00 0.00 C ATOM 1338 O HIS A 87 -2.381 -3.203 -1.929 1.00 0.00 O ATOM 1339 CB HIS A 87 -2.221 -4.511 0.683 1.00 0.00 C ATOM 1340 CG HIS A 87 -1.499 -5.147 1.830 1.00 0.00 C ATOM 1341 ND1 HIS A 87 -1.701 -6.456 2.215 1.00 0.00 N ATOM 1342 CD2 HIS A 87 -0.571 -4.646 2.679 1.00 0.00 C ATOM 1343 CE1 HIS A 87 -0.928 -6.732 3.251 1.00 0.00 C ATOM 1344 NE2 HIS A 87 -0.233 -5.651 3.551 1.00 0.00 N ATOM 0 H HIS A 87 0.031 -4.546 -0.537 1.00 0.00 H new ATOM 0 HA HIS A 87 -2.395 -6.195 -0.636 1.00 0.00 H new ATOM 0 HB2 HIS A 87 -1.923 -3.465 0.612 1.00 0.00 H new ATOM 0 HB3 HIS A 87 -3.292 -4.525 0.886 1.00 0.00 H new ATOM 0 HD2 HIS A 87 -0.171 -3.643 2.672 1.00 0.00 H new ATOM 0 HE1 HIS A 87 -0.874 -7.681 3.765 1.00 0.00 H new ATOM 0 HE2 HIS A 87 0.446 -5.575 4.309 1.00 0.00 H new ATOM 1353 N MET A 88 -3.423 -5.084 -2.590 1.00 0.00 N ATOM 1354 CA MET A 88 -4.101 -4.443 -3.709 1.00 0.00 C ATOM 1355 C MET A 88 -5.427 -3.829 -3.273 1.00 0.00 C ATOM 1356 O MET A 88 -6.382 -4.543 -2.965 1.00 0.00 O ATOM 1357 CB MET A 88 -4.341 -5.455 -4.832 1.00 0.00 C ATOM 1358 CG MET A 88 -4.988 -4.849 -6.067 1.00 0.00 C ATOM 1359 SD MET A 88 -4.612 -5.771 -7.570 1.00 0.00 S ATOM 1360 CE MET A 88 -3.397 -4.697 -8.331 1.00 0.00 C ATOM 0 H MET A 88 -3.626 -6.078 -2.486 1.00 0.00 H new ATOM 0 HA MET A 88 -3.458 -3.643 -4.076 1.00 0.00 H new ATOM 0 HB2 MET A 88 -3.389 -5.905 -5.114 1.00 0.00 H new ATOM 0 HB3 MET A 88 -4.975 -6.259 -4.457 1.00 0.00 H new ATOM 0 HG2 MET A 88 -6.068 -4.815 -5.927 1.00 0.00 H new ATOM 0 HG3 MET A 88 -4.649 -3.820 -6.182 1.00 0.00 H new ATOM 0 HE1 MET A 88 -3.642 -4.560 -9.384 1.00 0.00 H new ATOM 0 HE2 MET A 88 -3.401 -3.730 -7.828 1.00 0.00 H new ATOM 0 HE3 MET A 88 -2.408 -5.147 -8.244 1.00 0.00 H new ATOM 1370 N PHE A 89 -5.479 -2.502 -3.255 1.00 0.00 N ATOM 1371 CA PHE A 89 -6.689 -1.788 -2.866 1.00 0.00 C ATOM 1372 C PHE A 89 -7.270 -1.035 -4.057 1.00 0.00 C ATOM 1373 O PHE A 89 -6.556 -0.318 -4.758 1.00 0.00 O ATOM 1374 CB PHE A 89 -6.390 -0.813 -1.724 1.00 0.00 C ATOM 1375 CG PHE A 89 -5.904 -1.486 -0.472 1.00 0.00 C ATOM 1376 CD1 PHE A 89 -6.785 -2.178 0.344 1.00 0.00 C ATOM 1377 CD2 PHE A 89 -4.568 -1.425 -0.111 1.00 0.00 C ATOM 1378 CE1 PHE A 89 -6.341 -2.798 1.496 1.00 0.00 C ATOM 1379 CE2 PHE A 89 -4.119 -2.043 1.041 1.00 0.00 C ATOM 1380 CZ PHE A 89 -5.007 -2.731 1.846 1.00 0.00 C ATOM 0 H PHE A 89 -4.696 -1.898 -3.506 1.00 0.00 H new ATOM 0 HA PHE A 89 -7.422 -2.518 -2.522 1.00 0.00 H new ATOM 0 HB2 PHE A 89 -5.639 -0.096 -2.056 1.00 0.00 H new ATOM 0 HB3 PHE A 89 -7.293 -0.246 -1.495 1.00 0.00 H new ATOM 0 HD1 PHE A 89 -7.830 -2.233 0.076 1.00 0.00 H new ATOM 0 HD2 PHE A 89 -3.870 -0.889 -0.736 1.00 0.00 H new ATOM 0 HE1 PHE A 89 -7.037 -3.335 2.123 1.00 0.00 H new ATOM 0 HE2 PHE A 89 -3.075 -1.988 1.312 1.00 0.00 H new ATOM 0 HZ PHE A 89 -4.658 -3.215 2.746 1.00 0.00 H new ATOM 1390 N SER A 90 -8.568 -1.205 -4.285 1.00 0.00 N ATOM 1391 CA SER A 90 -9.238 -0.543 -5.399 1.00 0.00 C ATOM 1392 C SER A 90 -10.131 0.592 -4.909 1.00 0.00 C ATOM 1393 O SER A 90 -11.050 0.378 -4.120 1.00 0.00 O ATOM 1394 CB SER A 90 -10.065 -1.553 -6.198 1.00 0.00 C ATOM 1395 OG SER A 90 -9.670 -2.882 -5.906 1.00 0.00 O ATOM 0 H SER A 90 -9.176 -1.794 -3.715 1.00 0.00 H new ATOM 0 HA SER A 90 -8.471 -0.118 -6.047 1.00 0.00 H new ATOM 0 HB2 SER A 90 -11.122 -1.426 -5.966 1.00 0.00 H new ATOM 0 HB3 SER A 90 -9.947 -1.361 -7.265 1.00 0.00 H new ATOM 0 HG SER A 90 -10.215 -3.507 -6.428 1.00 0.00 H new ATOM 1401 N PHE A 91 -9.852 1.799 -5.385 1.00 0.00 N ATOM 1402 CA PHE A 91 -10.627 2.973 -5.003 1.00 0.00 C ATOM 1403 C PHE A 91 -11.729 3.243 -6.024 1.00 0.00 C ATOM 1404 O PHE A 91 -11.658 2.778 -7.161 1.00 0.00 O ATOM 1405 CB PHE A 91 -9.710 4.190 -4.877 1.00 0.00 C ATOM 1406 CG PHE A 91 -8.889 4.192 -3.619 1.00 0.00 C ATOM 1407 CD1 PHE A 91 -8.185 3.062 -3.233 1.00 0.00 C ATOM 1408 CD2 PHE A 91 -8.823 5.321 -2.821 1.00 0.00 C ATOM 1409 CE1 PHE A 91 -7.432 3.060 -2.075 1.00 0.00 C ATOM 1410 CE2 PHE A 91 -8.074 5.326 -1.661 1.00 0.00 C ATOM 1411 CZ PHE A 91 -7.376 4.193 -1.287 1.00 0.00 C ATOM 0 H PHE A 91 -9.092 1.991 -6.038 1.00 0.00 H new ATOM 0 HA PHE A 91 -11.093 2.782 -4.036 1.00 0.00 H new ATOM 0 HB2 PHE A 91 -9.042 4.223 -5.738 1.00 0.00 H new ATOM 0 HB3 PHE A 91 -10.315 5.096 -4.908 1.00 0.00 H new ATOM 0 HD1 PHE A 91 -8.226 2.173 -3.845 1.00 0.00 H new ATOM 0 HD2 PHE A 91 -9.365 6.210 -3.109 1.00 0.00 H new ATOM 0 HE1 PHE A 91 -6.887 2.173 -1.786 1.00 0.00 H new ATOM 0 HE2 PHE A 91 -8.034 6.214 -1.047 1.00 0.00 H new ATOM 0 HZ PHE A 91 -6.788 4.194 -0.381 1.00 0.00 H new ATOM 1421 N ASN A 92 -12.752 3.988 -5.613 1.00 0.00 N ATOM 1422 CA ASN A 92 -13.866 4.302 -6.502 1.00 0.00 C ATOM 1423 C ASN A 92 -14.230 5.783 -6.448 1.00 0.00 C ATOM 1424 O ASN A 92 -15.362 6.161 -6.747 1.00 0.00 O ATOM 1425 CB ASN A 92 -15.087 3.455 -6.138 1.00 0.00 C ATOM 1426 CG ASN A 92 -15.874 3.021 -7.358 1.00 0.00 C ATOM 1427 OD1 ASN A 92 -16.624 3.807 -7.939 1.00 0.00 O ATOM 1428 ND2 ASN A 92 -15.709 1.764 -7.754 1.00 0.00 N ATOM 0 H ASN A 92 -12.832 4.383 -4.676 1.00 0.00 H new ATOM 0 HA ASN A 92 -13.551 4.069 -7.519 1.00 0.00 H new ATOM 0 HB2 ASN A 92 -14.762 2.573 -5.586 1.00 0.00 H new ATOM 0 HB3 ASN A 92 -15.737 4.025 -5.474 1.00 0.00 H new ATOM 0 HD21 ASN A 92 -16.214 1.416 -8.569 1.00 0.00 H new ATOM 0 HD22 ASN A 92 -15.077 1.147 -7.243 1.00 0.00 H new ATOM 1435 N ASN A 93 -13.269 6.620 -6.069 1.00 0.00 N ATOM 1436 CA ASN A 93 -13.504 8.057 -5.987 1.00 0.00 C ATOM 1437 C ASN A 93 -12.194 8.832 -6.084 1.00 0.00 C ATOM 1438 O ASN A 93 -11.131 8.322 -5.732 1.00 0.00 O ATOM 1439 CB ASN A 93 -14.224 8.405 -4.681 1.00 0.00 C ATOM 1440 CG ASN A 93 -15.448 9.272 -4.910 1.00 0.00 C ATOM 1441 OD1 ASN A 93 -15.374 10.499 -4.848 1.00 0.00 O ATOM 1442 ND2 ASN A 93 -16.583 8.635 -5.175 1.00 0.00 N ATOM 0 H ASN A 93 -12.325 6.330 -5.815 1.00 0.00 H new ATOM 0 HA ASN A 93 -14.135 8.344 -6.828 1.00 0.00 H new ATOM 0 HB2 ASN A 93 -14.522 7.486 -4.177 1.00 0.00 H new ATOM 0 HB3 ASN A 93 -13.534 8.924 -4.016 1.00 0.00 H new ATOM 0 HD21 ASN A 93 -17.439 9.165 -5.337 1.00 0.00 H new ATOM 0 HD22 ASN A 93 -16.598 7.616 -5.217 1.00 0.00 H new ATOM 1449 N ARG A 94 -12.279 10.067 -6.568 1.00 0.00 N ATOM 1450 CA ARG A 94 -11.101 10.915 -6.714 1.00 0.00 C ATOM 1451 C ARG A 94 -10.703 11.524 -5.373 1.00 0.00 C ATOM 1452 O ARG A 94 -9.518 11.674 -5.074 1.00 0.00 O ATOM 1453 CB ARG A 94 -11.369 12.025 -7.731 1.00 0.00 C ATOM 1454 CG ARG A 94 -12.670 12.773 -7.488 1.00 0.00 C ATOM 1455 CD ARG A 94 -12.724 14.069 -8.280 1.00 0.00 C ATOM 1456 NE ARG A 94 -13.370 15.143 -7.529 1.00 0.00 N ATOM 1457 CZ ARG A 94 -13.291 16.430 -7.858 1.00 0.00 C ATOM 1458 NH1 ARG A 94 -12.595 16.808 -8.924 1.00 0.00 N ATOM 1459 NH2 ARG A 94 -13.909 17.342 -7.121 1.00 0.00 N ATOM 0 H ARG A 94 -13.152 10.503 -6.866 1.00 0.00 H new ATOM 0 HA ARG A 94 -10.279 10.295 -7.072 1.00 0.00 H new ATOM 0 HB2 ARG A 94 -10.542 12.735 -7.708 1.00 0.00 H new ATOM 0 HB3 ARG A 94 -11.390 11.592 -8.731 1.00 0.00 H new ATOM 0 HG2 ARG A 94 -13.512 12.140 -7.767 1.00 0.00 H new ATOM 0 HG3 ARG A 94 -12.773 12.991 -6.425 1.00 0.00 H new ATOM 0 HD2 ARG A 94 -11.712 14.372 -8.548 1.00 0.00 H new ATOM 0 HD3 ARG A 94 -13.265 13.902 -9.212 1.00 0.00 H new ATOM 0 HE ARG A 94 -13.914 14.891 -6.704 1.00 0.00 H new ATOM 0 HH11 ARG A 94 -12.118 16.111 -9.495 1.00 0.00 H new ATOM 0 HH12 ARG A 94 -12.538 17.796 -9.172 1.00 0.00 H new ATOM 0 HH21 ARG A 94 -14.445 17.057 -6.301 1.00 0.00 H new ATOM 0 HH22 ARG A 94 -13.848 18.328 -7.373 1.00 0.00 H new ATOM 1473 N THR A 95 -11.701 11.878 -4.571 1.00 0.00 N ATOM 1474 CA THR A 95 -11.472 12.468 -3.275 1.00 0.00 C ATOM 1475 C THR A 95 -10.927 11.441 -2.286 1.00 0.00 C ATOM 1476 O THR A 95 -9.976 11.716 -1.553 1.00 0.00 O ATOM 1477 CB THR A 95 -12.781 13.045 -2.770 1.00 0.00 C ATOM 1478 OG1 THR A 95 -13.719 13.171 -3.827 1.00 0.00 O ATOM 1479 CG2 THR A 95 -12.628 14.401 -2.136 1.00 0.00 C ATOM 0 H THR A 95 -12.686 11.761 -4.808 1.00 0.00 H new ATOM 0 HA THR A 95 -10.725 13.256 -3.367 1.00 0.00 H new ATOM 0 HB THR A 95 -13.131 12.342 -2.013 1.00 0.00 H new ATOM 0 HG1 THR A 95 -14.556 13.543 -3.479 1.00 0.00 H new ATOM 0 HG21 THR A 95 -13.601 14.756 -1.797 1.00 0.00 H new ATOM 0 HG22 THR A 95 -11.951 14.330 -1.285 1.00 0.00 H new ATOM 0 HG23 THR A 95 -12.221 15.100 -2.866 1.00 0.00 H new ATOM 1487 N VAL A 96 -11.538 10.261 -2.267 1.00 0.00 N ATOM 1488 CA VAL A 96 -11.113 9.198 -1.364 1.00 0.00 C ATOM 1489 C VAL A 96 -9.666 8.798 -1.627 1.00 0.00 C ATOM 1490 O VAL A 96 -8.910 8.522 -0.695 1.00 0.00 O ATOM 1491 CB VAL A 96 -12.020 7.956 -1.487 1.00 0.00 C ATOM 1492 CG1 VAL A 96 -11.965 7.382 -2.893 1.00 0.00 C ATOM 1493 CG2 VAL A 96 -11.631 6.905 -0.458 1.00 0.00 C ATOM 0 H VAL A 96 -12.327 10.017 -2.865 1.00 0.00 H new ATOM 0 HA VAL A 96 -11.194 9.591 -0.351 1.00 0.00 H new ATOM 0 HB VAL A 96 -13.047 8.264 -1.290 1.00 0.00 H new ATOM 0 HG11 VAL A 96 -12.613 6.507 -2.955 1.00 0.00 H new ATOM 0 HG12 VAL A 96 -12.302 8.134 -3.606 1.00 0.00 H new ATOM 0 HG13 VAL A 96 -10.941 7.092 -3.128 1.00 0.00 H new ATOM 0 HG21 VAL A 96 -12.282 6.037 -0.561 1.00 0.00 H new ATOM 0 HG22 VAL A 96 -10.596 6.604 -0.619 1.00 0.00 H new ATOM 0 HG23 VAL A 96 -11.736 7.321 0.544 1.00 0.00 H new ATOM 1503 N MET A 97 -9.279 8.773 -2.898 1.00 0.00 N ATOM 1504 CA MET A 97 -7.916 8.414 -3.271 1.00 0.00 C ATOM 1505 C MET A 97 -6.947 9.512 -2.866 1.00 0.00 C ATOM 1506 O MET A 97 -5.813 9.247 -2.465 1.00 0.00 O ATOM 1507 CB MET A 97 -7.819 8.159 -4.774 1.00 0.00 C ATOM 1508 CG MET A 97 -8.191 9.361 -5.624 1.00 0.00 C ATOM 1509 SD MET A 97 -7.740 9.153 -7.357 1.00 0.00 S ATOM 1510 CE MET A 97 -6.448 10.382 -7.521 1.00 0.00 C ATOM 0 H MET A 97 -9.888 8.996 -3.685 1.00 0.00 H new ATOM 0 HA MET A 97 -7.649 7.498 -2.744 1.00 0.00 H new ATOM 0 HB2 MET A 97 -6.801 7.855 -5.017 1.00 0.00 H new ATOM 0 HB3 MET A 97 -8.471 7.325 -5.035 1.00 0.00 H new ATOM 0 HG2 MET A 97 -9.265 9.535 -5.550 1.00 0.00 H new ATOM 0 HG3 MET A 97 -7.697 10.248 -5.228 1.00 0.00 H new ATOM 0 HE1 MET A 97 -6.067 10.375 -8.542 1.00 0.00 H new ATOM 0 HE2 MET A 97 -6.852 11.368 -7.291 1.00 0.00 H new ATOM 0 HE3 MET A 97 -5.637 10.152 -6.829 1.00 0.00 H new ATOM 1520 N ASP A 98 -7.412 10.745 -2.971 1.00 0.00 N ATOM 1521 CA ASP A 98 -6.604 11.905 -2.616 1.00 0.00 C ATOM 1522 C ASP A 98 -6.387 11.971 -1.107 1.00 0.00 C ATOM 1523 O ASP A 98 -5.369 12.481 -0.640 1.00 0.00 O ATOM 1524 CB ASP A 98 -7.276 13.189 -3.103 1.00 0.00 C ATOM 1525 CG ASP A 98 -6.271 14.246 -3.517 1.00 0.00 C ATOM 1526 OD1 ASP A 98 -5.340 13.914 -4.280 1.00 0.00 O ATOM 1527 OD2 ASP A 98 -6.415 15.407 -3.077 1.00 0.00 O ATOM 0 H ASP A 98 -8.350 10.972 -3.301 1.00 0.00 H new ATOM 0 HA ASP A 98 -5.634 11.806 -3.102 1.00 0.00 H new ATOM 0 HB2 ASP A 98 -7.925 12.958 -3.948 1.00 0.00 H new ATOM 0 HB3 ASP A 98 -7.912 13.586 -2.311 1.00 0.00 H new ATOM 1532 N ASN A 99 -7.350 11.451 -0.350 1.00 0.00 N ATOM 1533 CA ASN A 99 -7.259 11.453 1.105 1.00 0.00 C ATOM 1534 C ASN A 99 -6.345 10.334 1.595 1.00 0.00 C ATOM 1535 O ASN A 99 -5.396 10.576 2.340 1.00 0.00 O ATOM 1536 CB ASN A 99 -8.650 11.297 1.724 1.00 0.00 C ATOM 1537 CG ASN A 99 -9.373 12.624 1.860 1.00 0.00 C ATOM 1538 OD1 ASN A 99 -8.876 13.552 2.499 1.00 0.00 O ATOM 1539 ND2 ASN A 99 -10.553 12.718 1.260 1.00 0.00 N ATOM 0 H ASN A 99 -8.199 11.024 -0.720 1.00 0.00 H new ATOM 0 HA ASN A 99 -6.834 12.408 1.416 1.00 0.00 H new ATOM 0 HB2 ASN A 99 -9.246 10.623 1.108 1.00 0.00 H new ATOM 0 HB3 ASN A 99 -8.558 10.834 2.706 1.00 0.00 H new ATOM 0 HD21 ASN A 99 -11.087 13.585 1.318 1.00 0.00 H new ATOM 0 HD22 ASN A 99 -10.926 11.923 0.741 1.00 0.00 H new ATOM 1546 N ILE A 100 -6.638 9.109 1.172 1.00 0.00 N ATOM 1547 CA ILE A 100 -5.843 7.952 1.567 1.00 0.00 C ATOM 1548 C ILE A 100 -4.392 8.101 1.120 1.00 0.00 C ATOM 1549 O ILE A 100 -3.469 7.948 1.918 1.00 0.00 O ATOM 1550 CB ILE A 100 -6.420 6.649 0.975 1.00 0.00 C ATOM 1551 CG1 ILE A 100 -7.877 6.464 1.410 1.00 0.00 C ATOM 1552 CG2 ILE A 100 -5.577 5.449 1.392 1.00 0.00 C ATOM 1553 CD1 ILE A 100 -8.032 6.075 2.863 1.00 0.00 C ATOM 0 H ILE A 100 -7.421 8.892 0.555 1.00 0.00 H new ATOM 0 HA ILE A 100 -5.880 7.898 2.655 1.00 0.00 H new ATOM 0 HB ILE A 100 -6.392 6.722 -0.112 1.00 0.00 H new ATOM 0 HG12 ILE A 100 -8.421 7.391 1.231 1.00 0.00 H new ATOM 0 HG13 ILE A 100 -8.339 5.698 0.787 1.00 0.00 H new ATOM 0 HG21 ILE A 100 -6.001 4.540 0.964 1.00 0.00 H new ATOM 0 HG22 ILE A 100 -4.557 5.578 1.031 1.00 0.00 H new ATOM 0 HG23 ILE A 100 -5.570 5.369 2.479 1.00 0.00 H new ATOM 0 HD11 ILE A 100 -9.090 5.962 3.098 1.00 0.00 H new ATOM 0 HD12 ILE A 100 -7.517 5.132 3.044 1.00 0.00 H new ATOM 0 HD13 ILE A 100 -7.601 6.851 3.495 1.00 0.00 H new ATOM 1565 N LYS A 101 -4.200 8.391 -0.162 1.00 0.00 N ATOM 1566 CA LYS A 101 -2.863 8.551 -0.719 1.00 0.00 C ATOM 1567 C LYS A 101 -2.088 9.654 0.000 1.00 0.00 C ATOM 1568 O LYS A 101 -0.880 9.540 0.207 1.00 0.00 O ATOM 1569 CB LYS A 101 -2.946 8.865 -2.213 1.00 0.00 C ATOM 1570 CG LYS A 101 -1.598 8.839 -2.916 1.00 0.00 C ATOM 1571 CD LYS A 101 -1.649 9.578 -4.243 1.00 0.00 C ATOM 1572 CE LYS A 101 -1.246 11.036 -4.086 1.00 0.00 C ATOM 1573 NZ LYS A 101 -0.498 11.537 -5.272 1.00 0.00 N ATOM 0 H LYS A 101 -4.955 8.520 -0.836 1.00 0.00 H new ATOM 0 HA LYS A 101 -2.329 7.611 -0.576 1.00 0.00 H new ATOM 0 HB2 LYS A 101 -3.610 8.144 -2.691 1.00 0.00 H new ATOM 0 HB3 LYS A 101 -3.396 9.849 -2.345 1.00 0.00 H new ATOM 0 HG2 LYS A 101 -0.843 9.293 -2.274 1.00 0.00 H new ATOM 0 HG3 LYS A 101 -1.294 7.806 -3.085 1.00 0.00 H new ATOM 0 HD2 LYS A 101 -0.985 9.091 -4.957 1.00 0.00 H new ATOM 0 HD3 LYS A 101 -2.657 9.520 -4.654 1.00 0.00 H new ATOM 0 HE2 LYS A 101 -2.138 11.645 -3.936 1.00 0.00 H new ATOM 0 HE3 LYS A 101 -0.629 11.148 -3.194 1.00 0.00 H new ATOM 0 HZ1 LYS A 101 -0.242 12.534 -5.125 1.00 0.00 H new ATOM 0 HZ2 LYS A 101 0.366 10.973 -5.401 1.00 0.00 H new ATOM 0 HZ3 LYS A 101 -1.095 11.454 -6.119 1.00 0.00 H new ATOM 1587 N MET A 102 -2.785 10.723 0.368 1.00 0.00 N ATOM 1588 CA MET A 102 -2.153 11.848 1.051 1.00 0.00 C ATOM 1589 C MET A 102 -2.035 11.600 2.552 1.00 0.00 C ATOM 1590 O MET A 102 -1.151 12.146 3.212 1.00 0.00 O ATOM 1591 CB MET A 102 -2.940 13.134 0.797 1.00 0.00 C ATOM 1592 CG MET A 102 -2.870 13.614 -0.643 1.00 0.00 C ATOM 1593 SD MET A 102 -1.553 14.817 -0.910 1.00 0.00 S ATOM 1594 CE MET A 102 -2.396 16.341 -0.493 1.00 0.00 C ATOM 0 H MET A 102 -3.786 10.835 0.206 1.00 0.00 H new ATOM 0 HA MET A 102 -1.146 11.954 0.647 1.00 0.00 H new ATOM 0 HB2 MET A 102 -3.983 12.971 1.067 1.00 0.00 H new ATOM 0 HB3 MET A 102 -2.560 13.918 1.452 1.00 0.00 H new ATOM 0 HG2 MET A 102 -2.714 12.758 -1.300 1.00 0.00 H new ATOM 0 HG3 MET A 102 -3.825 14.059 -0.921 1.00 0.00 H new ATOM 0 HE1 MET A 102 -1.710 17.180 -0.609 1.00 0.00 H new ATOM 0 HE2 MET A 102 -3.251 16.477 -1.155 1.00 0.00 H new ATOM 0 HE3 MET A 102 -2.741 16.295 0.540 1.00 0.00 H new ATOM 1604 N THR A 103 -2.929 10.780 3.084 1.00 0.00 N ATOM 1605 CA THR A 103 -2.923 10.469 4.511 1.00 0.00 C ATOM 1606 C THR A 103 -1.959 9.332 4.822 1.00 0.00 C ATOM 1607 O THR A 103 -1.274 9.352 5.844 1.00 0.00 O ATOM 1608 CB THR A 103 -4.331 10.108 4.986 1.00 0.00 C ATOM 1609 OG1 THR A 103 -5.231 11.175 4.744 1.00 0.00 O ATOM 1610 CG2 THR A 103 -4.397 9.780 6.463 1.00 0.00 C ATOM 0 H THR A 103 -3.667 10.318 2.553 1.00 0.00 H new ATOM 0 HA THR A 103 -2.586 11.358 5.045 1.00 0.00 H new ATOM 0 HB THR A 103 -4.609 9.220 4.418 1.00 0.00 H new ATOM 0 HG1 THR A 103 -5.736 10.997 3.923 1.00 0.00 H new ATOM 0 HG21 THR A 103 -5.423 9.533 6.735 1.00 0.00 H new ATOM 0 HG22 THR A 103 -3.750 8.929 6.676 1.00 0.00 H new ATOM 0 HG23 THR A 103 -4.066 10.642 7.042 1.00 0.00 H new ATOM 1618 N LEU A 104 -1.904 8.342 3.941 1.00 0.00 N ATOM 1619 CA LEU A 104 -1.012 7.210 4.139 1.00 0.00 C ATOM 1620 C LEU A 104 0.433 7.685 4.181 1.00 0.00 C ATOM 1621 O LEU A 104 1.146 7.445 5.154 1.00 0.00 O ATOM 1622 CB LEU A 104 -1.205 6.172 3.030 1.00 0.00 C ATOM 1623 CG LEU A 104 -2.065 4.965 3.413 1.00 0.00 C ATOM 1624 CD1 LEU A 104 -3.351 5.413 4.091 1.00 0.00 C ATOM 1625 CD2 LEU A 104 -2.378 4.121 2.186 1.00 0.00 C ATOM 0 H LEU A 104 -2.463 8.300 3.089 1.00 0.00 H new ATOM 0 HA LEU A 104 -1.253 6.738 5.092 1.00 0.00 H new ATOM 0 HB2 LEU A 104 -1.658 6.663 2.169 1.00 0.00 H new ATOM 0 HB3 LEU A 104 -0.225 5.815 2.714 1.00 0.00 H new ATOM 0 HG LEU A 104 -1.500 4.355 4.118 1.00 0.00 H new ATOM 0 HD11 LEU A 104 -3.947 4.539 4.355 1.00 0.00 H new ATOM 0 HD12 LEU A 104 -3.110 5.974 4.994 1.00 0.00 H new ATOM 0 HD13 LEU A 104 -3.919 6.048 3.411 1.00 0.00 H new ATOM 0 HD21 LEU A 104 -2.990 3.268 2.478 1.00 0.00 H new ATOM 0 HD22 LEU A 104 -2.920 4.724 1.458 1.00 0.00 H new ATOM 0 HD23 LEU A 104 -1.448 3.766 1.742 1.00 0.00 H new ATOM 1637 N GLN A 105 0.853 8.381 3.126 1.00 0.00 N ATOM 1638 CA GLN A 105 2.211 8.910 3.051 1.00 0.00 C ATOM 1639 C GLN A 105 2.542 9.711 4.304 1.00 0.00 C ATOM 1640 O GLN A 105 3.699 9.784 4.719 1.00 0.00 O ATOM 1641 CB GLN A 105 2.378 9.786 1.808 1.00 0.00 C ATOM 1642 CG GLN A 105 1.323 10.871 1.678 1.00 0.00 C ATOM 1643 CD GLN A 105 1.324 11.521 0.310 1.00 0.00 C ATOM 1644 OE1 GLN A 105 1.215 10.704 -0.731 1.00 0.00 O flip ATOM 1645 NE2 GLN A 105 1.421 12.742 0.189 1.00 0.00 N flip ATOM 0 H GLN A 105 0.273 8.591 2.314 1.00 0.00 H new ATOM 0 HA GLN A 105 2.901 8.069 2.981 1.00 0.00 H new ATOM 0 HB2 GLN A 105 3.363 10.251 1.832 1.00 0.00 H new ATOM 0 HB3 GLN A 105 2.346 9.153 0.921 1.00 0.00 H new ATOM 0 HG2 GLN A 105 0.340 10.442 1.872 1.00 0.00 H new ATOM 0 HG3 GLN A 105 1.494 11.633 2.439 1.00 0.00 H new ATOM 0 HE21 GLN A 105 1.503 13.332 1.017 1.00 0.00 H new ATOM 0 HE22 GLN A 105 1.420 13.164 -0.740 1.00 0.00 H new ATOM 1654 N GLN A 106 1.515 10.297 4.913 1.00 0.00 N ATOM 1655 CA GLN A 106 1.699 11.075 6.131 1.00 0.00 C ATOM 1656 C GLN A 106 2.258 10.187 7.234 1.00 0.00 C ATOM 1657 O GLN A 106 3.064 10.622 8.056 1.00 0.00 O ATOM 1658 CB GLN A 106 0.376 11.709 6.571 1.00 0.00 C ATOM 1659 CG GLN A 106 0.382 13.227 6.507 1.00 0.00 C ATOM 1660 CD GLN A 106 -1.016 13.811 6.434 1.00 0.00 C ATOM 1661 OE1 GLN A 106 -1.508 14.394 7.400 1.00 0.00 O ATOM 1662 NE2 GLN A 106 -1.662 13.659 5.284 1.00 0.00 N ATOM 0 H GLN A 106 0.551 10.247 4.584 1.00 0.00 H new ATOM 0 HA GLN A 106 2.409 11.877 5.931 1.00 0.00 H new ATOM 0 HB2 GLN A 106 -0.428 11.330 5.940 1.00 0.00 H new ATOM 0 HB3 GLN A 106 0.154 11.397 7.592 1.00 0.00 H new ATOM 0 HG2 GLN A 106 0.892 13.622 7.385 1.00 0.00 H new ATOM 0 HG3 GLN A 106 0.952 13.548 5.636 1.00 0.00 H new ATOM 0 HE21 GLN A 106 -1.215 13.169 4.509 1.00 0.00 H new ATOM 0 HE22 GLN A 106 -2.605 14.033 5.175 1.00 0.00 H new ATOM 1671 N ILE A 107 1.838 8.930 7.218 1.00 0.00 N ATOM 1672 CA ILE A 107 2.304 7.949 8.187 1.00 0.00 C ATOM 1673 C ILE A 107 3.654 7.394 7.745 1.00 0.00 C ATOM 1674 O ILE A 107 4.517 7.082 8.564 1.00 0.00 O ATOM 1675 CB ILE A 107 1.294 6.793 8.344 1.00 0.00 C ATOM 1676 CG1 ILE A 107 -0.004 7.300 8.978 1.00 0.00 C ATOM 1677 CG2 ILE A 107 1.893 5.667 9.171 1.00 0.00 C ATOM 1678 CD1 ILE A 107 -1.164 7.359 8.009 1.00 0.00 C ATOM 0 H ILE A 107 1.170 8.564 6.539 1.00 0.00 H new ATOM 0 HA ILE A 107 2.405 8.445 9.152 1.00 0.00 H new ATOM 0 HB ILE A 107 1.062 6.400 7.354 1.00 0.00 H new ATOM 0 HG12 ILE A 107 -0.270 6.651 9.812 1.00 0.00 H new ATOM 0 HG13 ILE A 107 0.166 8.295 9.390 1.00 0.00 H new ATOM 0 HG21 ILE A 107 1.165 4.862 9.270 1.00 0.00 H new ATOM 0 HG22 ILE A 107 2.788 5.289 8.677 1.00 0.00 H new ATOM 0 HG23 ILE A 107 2.156 6.042 10.160 1.00 0.00 H new ATOM 0 HD11 ILE A 107 -2.051 7.727 8.525 1.00 0.00 H new ATOM 0 HD12 ILE A 107 -0.918 8.031 7.187 1.00 0.00 H new ATOM 0 HD13 ILE A 107 -1.361 6.362 7.616 1.00 0.00 H new ATOM 1690 N ILE A 108 3.821 7.287 6.434 1.00 0.00 N ATOM 1691 CA ILE A 108 5.058 6.791 5.844 1.00 0.00 C ATOM 1692 C ILE A 108 6.236 7.643 6.292 1.00 0.00 C ATOM 1693 O ILE A 108 7.186 7.149 6.900 1.00 0.00 O ATOM 1694 CB ILE A 108 4.985 6.826 4.306 1.00 0.00 C ATOM 1695 CG1 ILE A 108 3.722 6.128 3.817 1.00 0.00 C ATOM 1696 CG2 ILE A 108 6.215 6.192 3.688 1.00 0.00 C ATOM 1697 CD1 ILE A 108 3.660 4.661 4.169 1.00 0.00 C ATOM 0 H ILE A 108 3.107 7.540 5.751 1.00 0.00 H new ATOM 0 HA ILE A 108 5.194 5.762 6.178 1.00 0.00 H new ATOM 0 HB ILE A 108 4.950 7.869 3.993 1.00 0.00 H new ATOM 0 HG12 ILE A 108 2.853 6.631 4.241 1.00 0.00 H new ATOM 0 HG13 ILE A 108 3.655 6.235 2.734 1.00 0.00 H new ATOM 0 HG21 ILE A 108 6.137 6.230 2.601 1.00 0.00 H new ATOM 0 HG22 ILE A 108 7.104 6.736 4.007 1.00 0.00 H new ATOM 0 HG23 ILE A 108 6.290 5.153 4.010 1.00 0.00 H new ATOM 0 HD11 ILE A 108 2.732 4.234 3.787 1.00 0.00 H new ATOM 0 HD12 ILE A 108 4.509 4.143 3.722 1.00 0.00 H new ATOM 0 HD13 ILE A 108 3.694 4.545 5.252 1.00 0.00 H new ATOM 1709 N SER A 109 6.157 8.931 5.982 1.00 0.00 N ATOM 1710 CA SER A 109 7.207 9.878 6.344 1.00 0.00 C ATOM 1711 C SER A 109 7.514 9.819 7.837 1.00 0.00 C ATOM 1712 O SER A 109 8.620 10.144 8.267 1.00 0.00 O ATOM 1713 CB SER A 109 6.800 11.299 5.950 1.00 0.00 C ATOM 1714 OG SER A 109 6.767 11.448 4.541 1.00 0.00 O ATOM 0 H SER A 109 5.373 9.346 5.478 1.00 0.00 H new ATOM 0 HA SER A 109 8.109 9.600 5.799 1.00 0.00 H new ATOM 0 HB2 SER A 109 5.819 11.528 6.366 1.00 0.00 H new ATOM 0 HB3 SER A 109 7.503 12.014 6.378 1.00 0.00 H new ATOM 0 HG SER A 109 6.503 12.364 4.315 1.00 0.00 H new ATOM 1720 N ARG A 110 6.527 9.399 8.620 1.00 0.00 N ATOM 1721 CA ARG A 110 6.688 9.290 10.067 1.00 0.00 C ATOM 1722 C ARG A 110 7.927 8.471 10.419 1.00 0.00 C ATOM 1723 O ARG A 110 8.515 8.642 11.488 1.00 0.00 O ATOM 1724 CB ARG A 110 5.441 8.652 10.687 1.00 0.00 C ATOM 1725 CG ARG A 110 4.960 9.353 11.944 1.00 0.00 C ATOM 1726 CD ARG A 110 4.013 8.472 12.746 1.00 0.00 C ATOM 1727 NE ARG A 110 3.300 9.230 13.773 1.00 0.00 N ATOM 1728 CZ ARG A 110 2.405 8.696 14.601 1.00 0.00 C ATOM 1729 NH1 ARG A 110 2.109 7.403 14.526 1.00 0.00 N ATOM 1730 NH2 ARG A 110 1.803 9.454 15.505 1.00 0.00 N ATOM 0 H ARG A 110 5.605 9.128 8.278 1.00 0.00 H new ATOM 0 HA ARG A 110 6.817 10.293 10.473 1.00 0.00 H new ATOM 0 HB2 ARG A 110 4.638 8.654 9.950 1.00 0.00 H new ATOM 0 HB3 ARG A 110 5.655 7.609 10.922 1.00 0.00 H new ATOM 0 HG2 ARG A 110 5.817 9.624 12.561 1.00 0.00 H new ATOM 0 HG3 ARG A 110 4.455 10.281 11.674 1.00 0.00 H new ATOM 0 HD2 ARG A 110 3.293 8.007 12.073 1.00 0.00 H new ATOM 0 HD3 ARG A 110 4.577 7.666 13.216 1.00 0.00 H new ATOM 0 HE ARG A 110 3.500 10.226 13.860 1.00 0.00 H new ATOM 0 HH11 ARG A 110 2.568 6.814 13.831 1.00 0.00 H new ATOM 0 HH12 ARG A 110 1.422 6.999 15.163 1.00 0.00 H new ATOM 0 HH21 ARG A 110 2.025 10.448 15.567 1.00 0.00 H new ATOM 0 HH22 ARG A 110 1.117 9.044 16.139 1.00 0.00 H new ATOM 1744 N TYR A 111 8.322 7.582 9.510 1.00 0.00 N ATOM 1745 CA TYR A 111 9.494 6.738 9.722 1.00 0.00 C ATOM 1746 C TYR A 111 10.704 7.304 8.987 1.00 0.00 C ATOM 1747 O TYR A 111 11.839 7.171 9.444 1.00 0.00 O ATOM 1748 CB TYR A 111 9.221 5.308 9.244 1.00 0.00 C ATOM 1749 CG TYR A 111 7.779 4.876 9.395 1.00 0.00 C ATOM 1750 CD1 TYR A 111 7.187 4.792 10.648 1.00 0.00 C ATOM 1751 CD2 TYR A 111 7.012 4.551 8.283 1.00 0.00 C ATOM 1752 CE1 TYR A 111 5.871 4.397 10.790 1.00 0.00 C ATOM 1753 CE2 TYR A 111 5.694 4.156 8.416 1.00 0.00 C ATOM 1754 CZ TYR A 111 5.130 4.080 9.672 1.00 0.00 C ATOM 1755 OH TYR A 111 3.821 3.686 9.810 1.00 0.00 O ATOM 0 H TYR A 111 7.847 7.428 8.620 1.00 0.00 H new ATOM 0 HA TYR A 111 9.707 6.720 10.791 1.00 0.00 H new ATOM 0 HB2 TYR A 111 9.507 5.225 8.195 1.00 0.00 H new ATOM 0 HB3 TYR A 111 9.856 4.621 9.803 1.00 0.00 H new ATOM 0 HD1 TYR A 111 7.765 5.040 11.526 1.00 0.00 H new ATOM 0 HD2 TYR A 111 7.453 4.608 7.299 1.00 0.00 H new ATOM 0 HE1 TYR A 111 5.425 4.337 11.772 1.00 0.00 H new ATOM 0 HE2 TYR A 111 5.110 3.909 7.542 1.00 0.00 H new ATOM 0 HH TYR A 111 3.451 4.065 10.635 1.00 0.00 H new ATOM 1765 N LYS A 112 10.451 7.932 7.843 1.00 0.00 N ATOM 1766 CA LYS A 112 11.517 8.518 7.036 1.00 0.00 C ATOM 1767 C LYS A 112 12.323 9.530 7.846 1.00 0.00 C ATOM 1768 O LYS A 112 13.496 9.306 8.144 1.00 0.00 O ATOM 1769 CB LYS A 112 10.930 9.190 5.795 1.00 0.00 C ATOM 1770 CG LYS A 112 11.881 9.217 4.611 1.00 0.00 C ATOM 1771 CD LYS A 112 11.588 8.089 3.634 1.00 0.00 C ATOM 1772 CE LYS A 112 10.695 8.556 2.496 1.00 0.00 C ATOM 1773 NZ LYS A 112 10.469 7.483 1.489 1.00 0.00 N ATOM 0 H LYS A 112 9.516 8.049 7.453 1.00 0.00 H new ATOM 0 HA LYS A 112 12.187 7.716 6.726 1.00 0.00 H new ATOM 0 HB2 LYS A 112 10.018 8.667 5.506 1.00 0.00 H new ATOM 0 HB3 LYS A 112 10.646 10.212 6.046 1.00 0.00 H new ATOM 0 HG2 LYS A 112 11.797 10.175 4.098 1.00 0.00 H new ATOM 0 HG3 LYS A 112 12.908 9.134 4.966 1.00 0.00 H new ATOM 0 HD2 LYS A 112 12.524 7.705 3.229 1.00 0.00 H new ATOM 0 HD3 LYS A 112 11.107 7.265 4.161 1.00 0.00 H new ATOM 0 HE2 LYS A 112 9.736 8.884 2.898 1.00 0.00 H new ATOM 0 HE3 LYS A 112 11.149 9.420 2.010 1.00 0.00 H new ATOM 0 HZ1 LYS A 112 9.855 7.843 0.730 1.00 0.00 H new ATOM 0 HZ2 LYS A 112 11.381 7.188 1.086 1.00 0.00 H new ATOM 0 HZ3 LYS A 112 10.013 6.668 1.946 1.00 0.00 H new ATOM 1787 N ASP A 113 11.685 10.641 8.197 1.00 0.00 N ATOM 1788 CA ASP A 113 12.344 11.688 8.971 1.00 0.00 C ATOM 1789 C ASP A 113 12.847 11.146 10.304 1.00 0.00 C ATOM 1790 O ASP A 113 13.859 11.608 10.832 1.00 0.00 O ATOM 1791 CB ASP A 113 11.383 12.854 9.211 1.00 0.00 C ATOM 1792 CG ASP A 113 11.107 13.646 7.949 1.00 0.00 C ATOM 1793 OD1 ASP A 113 12.043 13.815 7.139 1.00 0.00 O ATOM 1794 OD2 ASP A 113 9.957 14.099 7.772 1.00 0.00 O ATOM 0 H ASP A 113 10.713 10.840 7.959 1.00 0.00 H new ATOM 0 HA ASP A 113 13.201 12.043 8.399 1.00 0.00 H new ATOM 0 HB2 ASP A 113 10.443 12.471 9.609 1.00 0.00 H new ATOM 0 HB3 ASP A 113 11.802 13.517 9.968 1.00 0.00 H new ATOM 1799 N ALA A 114 12.135 10.163 10.845 1.00 0.00 N ATOM 1800 CA ALA A 114 12.510 9.558 12.117 1.00 0.00 C ATOM 1801 C ALA A 114 13.775 8.718 11.974 1.00 0.00 C ATOM 1802 O ALA A 114 14.666 8.771 12.821 1.00 0.00 O ATOM 1803 CB ALA A 114 11.368 8.709 12.655 1.00 0.00 C ATOM 0 H ALA A 114 11.295 9.769 10.422 1.00 0.00 H new ATOM 0 HA ALA A 114 12.716 10.360 12.826 1.00 0.00 H new ATOM 0 HB1 ALA A 114 11.662 8.263 13.605 1.00 0.00 H new ATOM 0 HB2 ALA A 114 10.488 9.335 12.805 1.00 0.00 H new ATOM 0 HB3 ALA A 114 11.134 7.919 11.941 1.00 0.00 H new ATOM 1809 N ASP A 115 13.845 7.942 10.897 1.00 0.00 N ATOM 1810 CA ASP A 115 15.001 7.091 10.642 1.00 0.00 C ATOM 1811 C ASP A 115 16.202 7.921 10.202 1.00 0.00 C ATOM 1812 O ASP A 115 17.341 7.537 10.540 1.00 0.00 O ATOM 1813 CB ASP A 115 14.667 6.048 9.573 1.00 0.00 C ATOM 1814 CG ASP A 115 15.481 4.779 9.730 1.00 0.00 C ATOM 1815 OD1 ASP A 115 15.180 3.990 10.650 1.00 0.00 O ATOM 1816 OD2 ASP A 115 16.421 4.575 8.932 1.00 0.00 O ATOM 0 H ASP A 115 13.115 7.885 10.187 1.00 0.00 H new ATOM 0 HA ASP A 115 15.257 6.580 11.571 1.00 0.00 H new ATOM 0 HB2 ASP A 115 13.606 5.805 9.626 1.00 0.00 H new ATOM 0 HB3 ASP A 115 14.848 6.473 8.586 1.00 0.00 H new TER 1821 ASP A 115 ATOM 1822 N TYR B 90 8.556 -2.587 -14.688 1.00 0.00 N ATOM 1823 CA TYR B 90 8.258 -4.021 -14.435 1.00 0.00 C ATOM 1824 C TYR B 90 7.063 -4.179 -13.502 1.00 0.00 C ATOM 1825 O TYR B 90 6.051 -4.777 -13.870 1.00 0.00 O ATOM 1826 CB TYR B 90 9.497 -4.674 -13.820 1.00 0.00 C ATOM 1827 CG TYR B 90 10.529 -5.100 -14.841 1.00 0.00 C ATOM 1828 CD1 TYR B 90 11.285 -4.157 -15.526 1.00 0.00 C ATOM 1829 CD2 TYR B 90 10.745 -6.443 -15.120 1.00 0.00 C ATOM 1830 CE1 TYR B 90 12.229 -4.542 -16.460 1.00 0.00 C ATOM 1831 CE2 TYR B 90 11.687 -6.836 -16.052 1.00 0.00 C ATOM 1832 CZ TYR B 90 12.425 -5.881 -16.720 1.00 0.00 C ATOM 1833 OH TYR B 90 13.364 -6.269 -17.648 1.00 0.00 O ATOM 0 HA TYR B 90 8.005 -4.506 -15.378 1.00 0.00 H new ATOM 0 HB2 TYR B 90 9.957 -3.975 -13.122 1.00 0.00 H new ATOM 0 HB3 TYR B 90 9.189 -5.545 -13.242 1.00 0.00 H new ATOM 0 HD1 TYR B 90 11.133 -3.107 -15.326 1.00 0.00 H new ATOM 0 HD2 TYR B 90 10.167 -7.193 -14.600 1.00 0.00 H new ATOM 0 HE1 TYR B 90 12.810 -3.797 -16.983 1.00 0.00 H new ATOM 0 HE2 TYR B 90 11.844 -7.885 -16.256 1.00 0.00 H new ATOM 0 HH TYR B 90 13.377 -7.247 -17.711 1.00 0.00 H new ATOM 1843 N ASP B 91 7.185 -3.640 -12.294 1.00 0.00 N ATOM 1844 CA ASP B 91 6.114 -3.721 -11.308 1.00 0.00 C ATOM 1845 C ASP B 91 5.170 -2.529 -11.429 1.00 0.00 C ATOM 1846 O ASP B 91 3.976 -2.639 -11.148 1.00 0.00 O ATOM 1847 CB ASP B 91 6.697 -3.782 -9.895 1.00 0.00 C ATOM 1848 CG ASP B 91 5.876 -4.656 -8.968 1.00 0.00 C ATOM 1849 OD1 ASP B 91 4.671 -4.841 -9.240 1.00 0.00 O ATOM 1850 OD2 ASP B 91 6.438 -5.156 -7.971 1.00 0.00 O ATOM 0 H ASP B 91 8.016 -3.142 -11.974 1.00 0.00 H new ATOM 0 HA ASP B 91 5.547 -4.632 -11.500 1.00 0.00 H new ATOM 0 HB2 ASP B 91 7.717 -4.164 -9.942 1.00 0.00 H new ATOM 0 HB3 ASP B 91 6.753 -2.774 -9.484 1.00 0.00 H new ATOM 1855 N SER B 92 5.713 -1.390 -11.850 1.00 0.00 N ATOM 1856 CA SER B 92 4.918 -0.177 -12.008 1.00 0.00 C ATOM 1857 C SER B 92 4.251 -0.122 -13.383 1.00 0.00 C ATOM 1858 O SER B 92 3.600 0.865 -13.725 1.00 0.00 O ATOM 1859 CB SER B 92 5.795 1.059 -11.807 1.00 0.00 C ATOM 1860 OG SER B 92 5.088 2.082 -11.127 1.00 0.00 O ATOM 0 H SER B 92 6.699 -1.282 -12.087 1.00 0.00 H new ATOM 0 HA SER B 92 4.134 -0.192 -11.251 1.00 0.00 H new ATOM 0 HB2 SER B 92 6.685 0.789 -11.239 1.00 0.00 H new ATOM 0 HB3 SER B 92 6.135 1.429 -12.774 1.00 0.00 H new ATOM 0 HG SER B 92 4.216 2.216 -11.554 1.00 0.00 H new ATOM 1866 N GLU B 93 4.414 -1.185 -14.169 1.00 0.00 N ATOM 1867 CA GLU B 93 3.825 -1.245 -15.502 1.00 0.00 C ATOM 1868 C GLU B 93 2.306 -1.098 -15.441 1.00 0.00 C ATOM 1869 O GLU B 93 1.675 -0.693 -16.418 1.00 0.00 O ATOM 1870 CB GLU B 93 4.193 -2.564 -16.185 1.00 0.00 C ATOM 1871 CG GLU B 93 3.756 -3.794 -15.406 1.00 0.00 C ATOM 1872 CD GLU B 93 4.292 -5.081 -16.003 1.00 0.00 C ATOM 1873 OE1 GLU B 93 5.379 -5.044 -16.616 1.00 0.00 O ATOM 1874 OE2 GLU B 93 3.623 -6.126 -15.857 1.00 0.00 O ATOM 0 H GLU B 93 4.948 -2.013 -13.905 1.00 0.00 H new ATOM 0 HA GLU B 93 4.226 -0.415 -16.083 1.00 0.00 H new ATOM 0 HB2 GLU B 93 3.738 -2.590 -17.175 1.00 0.00 H new ATOM 0 HB3 GLU B 93 5.273 -2.600 -16.329 1.00 0.00 H new ATOM 0 HG2 GLU B 93 4.097 -3.707 -14.374 1.00 0.00 H new ATOM 0 HG3 GLU B 93 2.667 -3.835 -15.380 1.00 0.00 H new ATOM 1881 N GLU B 94 1.725 -1.427 -14.292 1.00 0.00 N ATOM 1882 CA GLU B 94 0.279 -1.329 -14.113 1.00 0.00 C ATOM 1883 C GLU B 94 -0.080 -0.169 -13.188 1.00 0.00 C ATOM 1884 O GLU B 94 -0.910 0.674 -13.529 1.00 0.00 O ATOM 1885 CB GLU B 94 -0.290 -2.640 -13.553 1.00 0.00 C ATOM 1886 CG GLU B 94 0.705 -3.452 -12.737 1.00 0.00 C ATOM 1887 CD GLU B 94 0.040 -4.555 -11.937 1.00 0.00 C ATOM 1888 OE1 GLU B 94 -0.526 -5.480 -12.558 1.00 0.00 O ATOM 1889 OE2 GLU B 94 0.085 -4.495 -10.690 1.00 0.00 O ATOM 0 H GLU B 94 2.231 -1.763 -13.472 1.00 0.00 H new ATOM 0 HA GLU B 94 -0.164 -1.143 -15.091 1.00 0.00 H new ATOM 0 HB2 GLU B 94 -1.154 -2.411 -12.929 1.00 0.00 H new ATOM 0 HB3 GLU B 94 -0.648 -3.251 -14.381 1.00 0.00 H new ATOM 0 HG2 GLU B 94 1.446 -3.890 -13.406 1.00 0.00 H new ATOM 0 HG3 GLU B 94 1.240 -2.788 -12.058 1.00 0.00 H new ATOM 1896 N PHE B 95 0.552 -0.129 -12.019 1.00 0.00 N ATOM 1897 CA PHE B 95 0.300 0.931 -11.050 1.00 0.00 C ATOM 1898 C PHE B 95 1.559 1.759 -10.812 1.00 0.00 C ATOM 1899 O PHE B 95 2.628 1.443 -11.333 1.00 0.00 O ATOM 1900 CB PHE B 95 -0.195 0.340 -9.727 1.00 0.00 C ATOM 1901 CG PHE B 95 -1.361 -0.594 -9.883 1.00 0.00 C ATOM 1902 CD1 PHE B 95 -1.202 -1.826 -10.494 1.00 0.00 C ATOM 1903 CD2 PHE B 95 -2.616 -0.237 -9.417 1.00 0.00 C ATOM 1904 CE1 PHE B 95 -2.273 -2.687 -10.637 1.00 0.00 C ATOM 1905 CE2 PHE B 95 -3.691 -1.094 -9.558 1.00 0.00 C ATOM 1906 CZ PHE B 95 -3.519 -2.321 -10.169 1.00 0.00 C ATOM 0 H PHE B 95 1.242 -0.818 -11.720 1.00 0.00 H new ATOM 0 HA PHE B 95 -0.472 1.584 -11.457 1.00 0.00 H new ATOM 0 HB2 PHE B 95 0.626 -0.194 -9.248 1.00 0.00 H new ATOM 0 HB3 PHE B 95 -0.479 1.153 -9.059 1.00 0.00 H new ATOM 0 HD1 PHE B 95 -0.230 -2.117 -10.863 1.00 0.00 H new ATOM 0 HD2 PHE B 95 -2.756 0.721 -8.939 1.00 0.00 H new ATOM 0 HE1 PHE B 95 -2.135 -3.646 -11.115 1.00 0.00 H new ATOM 0 HE2 PHE B 95 -4.665 -0.805 -9.191 1.00 0.00 H new ATOM 0 HZ PHE B 95 -4.358 -2.992 -10.280 1.00 0.00 H new ATOM 1916 N GLU B 96 1.425 2.821 -10.023 1.00 0.00 N ATOM 1917 CA GLU B 96 2.554 3.692 -9.719 1.00 0.00 C ATOM 1918 C GLU B 96 2.729 3.853 -8.212 1.00 0.00 C ATOM 1919 O GLU B 96 1.770 3.738 -7.450 1.00 0.00 O ATOM 1920 CB GLU B 96 2.358 5.063 -10.370 1.00 0.00 C ATOM 1921 CG GLU B 96 3.638 5.658 -10.933 1.00 0.00 C ATOM 1922 CD GLU B 96 3.725 5.534 -12.441 1.00 0.00 C ATOM 1923 OE1 GLU B 96 3.184 6.415 -13.142 1.00 0.00 O ATOM 1924 OE2 GLU B 96 4.335 4.556 -12.922 1.00 0.00 O ATOM 0 H GLU B 96 0.547 3.098 -9.584 1.00 0.00 H new ATOM 0 HA GLU B 96 3.455 3.230 -10.124 1.00 0.00 H new ATOM 0 HB2 GLU B 96 1.625 4.974 -11.172 1.00 0.00 H new ATOM 0 HB3 GLU B 96 1.942 5.750 -9.633 1.00 0.00 H new ATOM 0 HG2 GLU B 96 3.698 6.710 -10.655 1.00 0.00 H new ATOM 0 HG3 GLU B 96 4.495 5.159 -10.481 1.00 0.00 H new ATOM 1931 N ASP B 97 3.961 4.120 -7.790 1.00 0.00 N ATOM 1932 CA ASP B 97 4.264 4.296 -6.375 1.00 0.00 C ATOM 1933 C ASP B 97 4.145 5.762 -5.971 1.00 0.00 C ATOM 1934 O ASP B 97 4.158 6.653 -6.821 1.00 0.00 O ATOM 1935 CB ASP B 97 5.672 3.783 -6.064 1.00 0.00 C ATOM 1936 CG ASP B 97 5.760 3.123 -4.703 1.00 0.00 C ATOM 1937 OD1 ASP B 97 5.455 1.916 -4.607 1.00 0.00 O ATOM 1938 OD2 ASP B 97 6.135 3.814 -3.731 1.00 0.00 O ATOM 0 H ASP B 97 4.766 4.219 -8.409 1.00 0.00 H new ATOM 0 HA ASP B 97 3.539 3.719 -5.801 1.00 0.00 H new ATOM 0 HB2 ASP B 97 5.973 3.069 -6.831 1.00 0.00 H new ATOM 0 HB3 ASP B 97 6.376 4.614 -6.108 1.00 0.00 H new ATOM 1943 N VAL B 98 4.030 6.005 -4.670 1.00 0.00 N ATOM 1944 CA VAL B 98 3.908 7.363 -4.153 1.00 0.00 C ATOM 1945 C VAL B 98 4.641 7.513 -2.824 1.00 0.00 C ATOM 1946 O VAL B 98 4.289 6.871 -1.834 1.00 0.00 O ATOM 1947 CB VAL B 98 2.431 7.764 -3.967 1.00 0.00 C ATOM 1948 CG1 VAL B 98 1.750 6.853 -2.958 1.00 0.00 C ATOM 1949 CG2 VAL B 98 2.320 9.221 -3.541 1.00 0.00 C ATOM 0 H VAL B 98 4.019 5.279 -3.954 1.00 0.00 H new ATOM 0 HA VAL B 98 4.363 8.025 -4.890 1.00 0.00 H new ATOM 0 HB VAL B 98 1.922 7.650 -4.924 1.00 0.00 H new ATOM 0 HG11 VAL B 98 0.709 7.153 -2.842 1.00 0.00 H new ATOM 0 HG12 VAL B 98 1.793 5.823 -3.311 1.00 0.00 H new ATOM 0 HG13 VAL B 98 2.259 6.929 -1.997 1.00 0.00 H new ATOM 0 HG21 VAL B 98 1.270 9.484 -3.415 1.00 0.00 H new ATOM 0 HG22 VAL B 98 2.846 9.365 -2.597 1.00 0.00 H new ATOM 0 HG23 VAL B 98 2.765 9.858 -4.305 1.00 0.00 H new ATOM 1959 N THR B 99 5.660 8.366 -2.808 1.00 0.00 N ATOM 1960 CA THR B 99 6.442 8.601 -1.599 1.00 0.00 C ATOM 1961 C THR B 99 6.933 10.044 -1.542 1.00 0.00 C ATOM 1962 O THR B 99 6.590 10.862 -2.396 1.00 0.00 O ATOM 1963 CB THR B 99 7.632 7.641 -1.541 1.00 0.00 C ATOM 1964 OG1 THR B 99 7.972 7.185 -2.839 1.00 0.00 O ATOM 1965 CG2 THR B 99 7.376 6.423 -0.680 1.00 0.00 C ATOM 0 H THR B 99 5.964 8.906 -3.618 1.00 0.00 H new ATOM 0 HA THR B 99 5.798 8.421 -0.738 1.00 0.00 H new ATOM 0 HB THR B 99 8.446 8.215 -1.098 1.00 0.00 H new ATOM 0 HG1 THR B 99 8.736 6.574 -2.781 1.00 0.00 H new ATOM 0 HG21 THR B 99 8.259 5.784 -0.682 1.00 0.00 H new ATOM 0 HG22 THR B 99 7.158 6.738 0.341 1.00 0.00 H new ATOM 0 HG23 THR B 99 6.526 5.868 -1.078 1.00 0.00 H new ATOM 1973 N ASP B 100 7.738 10.350 -0.530 1.00 0.00 N ATOM 1974 CA ASP B 100 8.276 11.696 -0.361 1.00 0.00 C ATOM 1975 C ASP B 100 9.727 11.763 -0.827 1.00 0.00 C ATOM 1976 O ASP B 100 10.071 12.554 -1.706 1.00 0.00 O ATOM 1977 CB ASP B 100 8.178 12.126 1.103 1.00 0.00 C ATOM 1978 CG ASP B 100 6.882 12.853 1.407 1.00 0.00 C ATOM 1979 OD1 ASP B 100 5.814 12.358 0.992 1.00 0.00 O ATOM 1980 OD2 ASP B 100 6.937 13.917 2.058 1.00 0.00 O ATOM 0 H ASP B 100 8.032 9.685 0.185 1.00 0.00 H new ATOM 0 HA ASP B 100 7.685 12.377 -0.973 1.00 0.00 H new ATOM 0 HB2 ASP B 100 8.257 11.247 1.743 1.00 0.00 H new ATOM 0 HB3 ASP B 100 9.020 12.774 1.346 1.00 0.00 H new ATOM 1985 N GLY B 101 10.574 10.929 -0.234 1.00 0.00 N ATOM 1986 CA GLY B 101 11.977 10.910 -0.602 1.00 0.00 C ATOM 1987 C GLY B 101 12.873 10.489 0.546 1.00 0.00 C ATOM 1988 O GLY B 101 12.763 11.015 1.653 1.00 0.00 O ATOM 0 H GLY B 101 10.314 10.265 0.495 1.00 0.00 H new ATOM 0 HA2 GLY B 101 12.120 10.227 -1.440 1.00 0.00 H new ATOM 0 HA3 GLY B 101 12.273 11.902 -0.945 1.00 0.00 H new ATOM 1992 N ASN B 102 13.761 9.535 0.282 1.00 0.00 N ATOM 1993 CA ASN B 102 14.679 9.043 1.302 1.00 0.00 C ATOM 1994 C ASN B 102 15.906 9.942 1.411 1.00 0.00 C ATOM 1995 O ASN B 102 16.798 9.897 0.564 1.00 0.00 O ATOM 1996 CB ASN B 102 15.109 7.610 0.982 1.00 0.00 C ATOM 1997 CG ASN B 102 15.259 6.760 2.228 1.00 0.00 C ATOM 1998 OD1 ASN B 102 15.469 7.277 3.326 1.00 0.00 O ATOM 1999 ND2 ASN B 102 15.152 5.446 2.065 1.00 0.00 N ATOM 0 H ASN B 102 13.864 9.088 -0.629 1.00 0.00 H new ATOM 0 HA ASN B 102 14.158 9.054 2.259 1.00 0.00 H new ATOM 0 HB2 ASN B 102 14.374 7.152 0.320 1.00 0.00 H new ATOM 0 HB3 ASN B 102 16.056 7.630 0.443 1.00 0.00 H new ATOM 0 HD21 ASN B 102 15.244 4.823 2.868 1.00 0.00 H new ATOM 0 HD22 ASN B 102 14.978 5.060 1.137 1.00 0.00 H new ATOM 2006 N GLU B 103 15.943 10.760 2.458 1.00 0.00 N ATOM 2007 CA GLU B 103 17.061 11.670 2.677 1.00 0.00 C ATOM 2008 C GLU B 103 17.951 11.176 3.813 1.00 0.00 C ATOM 2009 O GLU B 103 19.110 10.821 3.598 1.00 0.00 O ATOM 2010 CB GLU B 103 16.547 13.076 2.992 1.00 0.00 C ATOM 2011 CG GLU B 103 17.447 14.184 2.472 1.00 0.00 C ATOM 2012 CD GLU B 103 16.677 15.437 2.104 1.00 0.00 C ATOM 2013 OE1 GLU B 103 15.746 15.802 2.852 1.00 0.00 O ATOM 2014 OE2 GLU B 103 17.005 16.053 1.068 1.00 0.00 O ATOM 0 H GLU B 103 15.212 10.811 3.168 1.00 0.00 H new ATOM 0 HA GLU B 103 17.654 11.703 1.763 1.00 0.00 H new ATOM 0 HB2 GLU B 103 15.553 13.195 2.562 1.00 0.00 H new ATOM 0 HB3 GLU B 103 16.442 13.182 4.072 1.00 0.00 H new ATOM 0 HG2 GLU B 103 18.191 14.429 3.230 1.00 0.00 H new ATOM 0 HG3 GLU B 103 17.990 13.826 1.597 1.00 0.00 H new ATOM 2021 N VAL B 104 17.401 11.155 5.023 1.00 0.00 N ATOM 2022 CA VAL B 104 18.146 10.704 6.192 1.00 0.00 C ATOM 2023 C VAL B 104 17.664 9.330 6.652 1.00 0.00 C ATOM 2024 O VAL B 104 16.449 9.064 6.549 1.00 0.00 O ATOM 2025 CB VAL B 104 18.017 11.703 7.359 1.00 0.00 C ATOM 2026 CG1 VAL B 104 16.567 11.830 7.804 1.00 0.00 C ATOM 2027 CG2 VAL B 104 18.907 11.288 8.522 1.00 0.00 C ATOM 0 H VAL B 104 16.443 11.445 5.219 1.00 0.00 H new ATOM 0 HA VAL B 104 19.193 10.638 5.897 1.00 0.00 H new ATOM 0 HB VAL B 104 18.349 12.681 7.009 1.00 0.00 H new ATOM 0 HG11 VAL B 104 16.500 12.540 8.628 1.00 0.00 H new ATOM 0 HG12 VAL B 104 15.960 12.184 6.970 1.00 0.00 H new ATOM 0 HG13 VAL B 104 16.201 10.857 8.132 1.00 0.00 H new ATOM 0 HG21 VAL B 104 18.801 12.006 9.335 1.00 0.00 H new ATOM 0 HG22 VAL B 104 18.612 10.298 8.871 1.00 0.00 H new ATOM 0 HG23 VAL B 104 19.946 11.262 8.194 1.00 0.00 H new TER 2037 VAL B 104