USER MOD reduce.3.24.130724 H: found=0, std=0, add=863, rem=0, adj=26 USER MOD reduce.3.24.130724 removed 852 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 92 CYS SG : rot -49:sc= 0.17 USER MOD Set 1.2: A 93 CYS SG : rot -1:sc= 0.424 USER MOD Set 2.1: A 85 HIS : no HE2:sc= -0.532 K(o=-1.9,f=-3.2) USER MOD Set 2.2: A 86 CYS SG : rot -164:sc= -0.111 USER MOD Set 2.3: A 98 HIS : no HE2:sc= -1.27 K(o=-1.9,f=-3.1) USER MOD Set 3.1: A 66 HIS : no HE2:sc= -2.08 K(o=-2.7,f=-4.6) USER MOD Set 3.2: A 68 HIS : no HE2:sc= -0.597 K(o=-2.7,f=-7.8!) USER MOD Single : A 1 MET CE :methyl 161:sc= -0.0107 (180deg=-0.203) USER MOD Single : A 1 MET N :NH3+ 146:sc= -0.0348 (180deg=-0.27) USER MOD Single : A 5 GLN : amide:sc= 0 K(o=0,f=-0.89) USER MOD Single : A 6 THR OG1 : rot 180:sc= 0.128 USER MOD Single : A 8 HIS : no HD1:sc= -1.08 K(o=-1.1,f=-5.2!) USER MOD Single : A 10 GLN : amide:sc= -0.0324 X(o=-0.032,f=0) USER MOD Single : A 18 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 19 GLN : amide:sc= 0.96 K(o=0.96,f=-0.11) USER MOD Single : A 20 GLN : amide:sc= -0.422 X(o=-0.42,f=0) USER MOD Single : A 22 CYS SG : rot 180:sc= 0 USER MOD Single : A 23 ASN : amide:sc= -0.032 X(o=-0.032,f=0) USER MOD Single : A 30 THR OG1 : rot 180:sc= 0.0657 USER MOD Single : A 31 ASN : amide:sc= 0.0977 X(o=0.098,f=-0.34) USER MOD Single : A 35 GLN : amide:sc= -0.0263 K(o=-0.026,f=-2.5!) USER MOD Single : A 38 CYS SG : rot 180:sc= -0.299 USER MOD Single : A 41 SER OG : rot 24:sc= 0.162 USER MOD Single : A 42 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 43 HIS : no HD1:sc= 0 X(o=0,f=0) USER MOD Single : A 46 GLN : amide:sc= -0.68 X(o=-0.68,f=-0.73) USER MOD Single : A 47 TYR OH : rot 180:sc= 0 USER MOD Single : A 50 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 54 SER OG : rot -140:sc= -0.0596 USER MOD Single : A 55 ASN :FLIP amide:sc= -0.0307 F(o=-0.85,f=-0.031) USER MOD Single : A 57 HIS : no HE2:sc= 0.0734 K(o=0.073,f=-1.1) USER MOD Single : A 58 CYS SG : rot 180:sc= -1.15 USER MOD Single : A 79 ASN : amide:sc= 1.04 K(o=1,f=-3.7!) USER MOD Single : A 88 THR OG1 : rot 180:sc= 0 USER MOD Single : A 91 HIS : no HE2:sc= -0.604 X(o=-0.6,f=-0.3) USER MOD Single : A 94 THR OG1 : rot 180:sc= 0 USER MOD Single : A 95 SER OG : rot 180:sc= 0 USER MOD Single : A 96 LYS NZ :NH3+ -175:sc= 1.18 (180deg=1.17) USER MOD Single : A 97 MET CE :methyl 144:sc= -0.185 (180deg=-0.602) USER MOD Single : A 100 HIS : no HD1:sc= 0 X(o=0,f=0) USER MOD Single : A 101 SER OG : rot 23:sc= 1.26 USER MOD Single : A 103 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 110 ASN : amide:sc= 0.51 K(o=0.51,f=0) USER MOD ----------------------------------------------------------------- ATOM 1 N MET A 1 -16.835 4.948 11.408 1.00 0.00 N ATOM 2 CA MET A 1 -15.970 3.756 11.426 1.00 0.00 C ATOM 3 C MET A 1 -16.309 2.846 10.250 1.00 0.00 C ATOM 4 O MET A 1 -17.489 2.572 10.012 1.00 0.00 O ATOM 5 CB MET A 1 -16.021 3.011 12.765 1.00 0.00 C ATOM 6 CG MET A 1 -17.415 2.494 13.156 1.00 0.00 C ATOM 7 SD MET A 1 -17.827 2.699 14.907 1.00 0.00 S ATOM 8 CE MET A 1 -17.956 4.507 14.991 1.00 0.00 C ATOM 0 H1 MET A 1 -17.041 5.242 12.384 1.00 0.00 H new ATOM 0 H2 MET A 1 -16.351 5.721 10.908 1.00 0.00 H new ATOM 0 H3 MET A 1 -17.725 4.724 10.919 1.00 0.00 H new ATOM 0 HA MET A 1 -14.938 4.091 11.316 1.00 0.00 H new ATOM 0 HB2 MET A 1 -15.333 2.166 12.723 1.00 0.00 H new ATOM 0 HB3 MET A 1 -15.661 3.676 13.550 1.00 0.00 H new ATOM 0 HG2 MET A 1 -18.163 3.013 12.557 1.00 0.00 H new ATOM 0 HG3 MET A 1 -17.481 1.436 12.902 1.00 0.00 H new ATOM 0 HE1 MET A 1 -18.520 4.791 15.880 1.00 0.00 H new ATOM 0 HE2 MET A 1 -16.957 4.941 15.041 1.00 0.00 H new ATOM 0 HE3 MET A 1 -18.468 4.877 14.103 1.00 0.00 H new ATOM 18 N GLY A 2 -15.289 2.376 9.526 1.00 0.00 N ATOM 19 CA GLY A 2 -15.401 1.489 8.376 1.00 0.00 C ATOM 20 C GLY A 2 -14.793 0.133 8.710 1.00 0.00 C ATOM 21 O GLY A 2 -13.691 0.071 9.266 1.00 0.00 O ATOM 0 H GLY A 2 -14.321 2.617 9.739 1.00 0.00 H new ATOM 0 HA2 GLY A 2 -16.448 1.370 8.098 1.00 0.00 H new ATOM 0 HA3 GLY A 2 -14.891 1.925 7.517 1.00 0.00 H new ATOM 25 N ALA A 3 -15.525 -0.932 8.398 1.00 0.00 N ATOM 26 CA ALA A 3 -15.174 -2.339 8.517 1.00 0.00 C ATOM 27 C ALA A 3 -16.217 -3.111 7.698 1.00 0.00 C ATOM 28 O ALA A 3 -17.311 -2.590 7.460 1.00 0.00 O ATOM 29 CB ALA A 3 -15.218 -2.752 9.990 1.00 0.00 C ATOM 0 H ALA A 3 -16.466 -0.819 8.021 1.00 0.00 H new ATOM 0 HA ALA A 3 -14.169 -2.544 8.150 1.00 0.00 H new ATOM 0 HB1 ALA A 3 -14.955 -3.806 10.080 1.00 0.00 H new ATOM 0 HB2 ALA A 3 -14.508 -2.151 10.558 1.00 0.00 H new ATOM 0 HB3 ALA A 3 -16.222 -2.594 10.382 1.00 0.00 H new ATOM 35 N GLY A 4 -15.921 -4.339 7.267 1.00 0.00 N ATOM 36 CA GLY A 4 -16.792 -5.084 6.364 1.00 0.00 C ATOM 37 C GLY A 4 -16.006 -5.965 5.403 1.00 0.00 C ATOM 38 O GLY A 4 -16.029 -7.188 5.558 1.00 0.00 O ATOM 0 H GLY A 4 -15.074 -4.841 7.534 1.00 0.00 H new ATOM 0 HA2 GLY A 4 -17.473 -5.703 6.948 1.00 0.00 H new ATOM 0 HA3 GLY A 4 -17.405 -4.385 5.795 1.00 0.00 H new ATOM 42 N GLN A 5 -15.339 -5.358 4.417 1.00 0.00 N ATOM 43 CA GLN A 5 -14.636 -6.031 3.317 1.00 0.00 C ATOM 44 C GLN A 5 -13.153 -5.625 3.270 1.00 0.00 C ATOM 45 O GLN A 5 -12.485 -5.748 2.239 1.00 0.00 O ATOM 46 CB GLN A 5 -15.306 -5.691 1.978 1.00 0.00 C ATOM 47 CG GLN A 5 -16.830 -5.867 1.893 1.00 0.00 C ATOM 48 CD GLN A 5 -17.373 -5.453 0.524 1.00 0.00 C ATOM 49 OE1 GLN A 5 -16.723 -4.749 -0.244 1.00 0.00 O ATOM 50 NE2 GLN A 5 -18.575 -5.870 0.182 1.00 0.00 N ATOM 0 H GLN A 5 -15.270 -4.342 4.360 1.00 0.00 H new ATOM 0 HA GLN A 5 -14.692 -7.105 3.492 1.00 0.00 H new ATOM 0 HB2 GLN A 5 -15.071 -4.654 1.736 1.00 0.00 H new ATOM 0 HB3 GLN A 5 -14.850 -6.310 1.205 1.00 0.00 H new ATOM 0 HG2 GLN A 5 -17.087 -6.908 2.087 1.00 0.00 H new ATOM 0 HG3 GLN A 5 -17.309 -5.271 2.670 1.00 0.00 H new ATOM 0 HE21 GLN A 5 -19.113 -6.455 0.822 1.00 0.00 H new ATOM 0 HE22 GLN A 5 -18.968 -5.608 -0.722 1.00 0.00 H new ATOM 59 N THR A 6 -12.655 -5.060 4.364 1.00 0.00 N ATOM 60 CA THR A 6 -11.255 -4.739 4.602 1.00 0.00 C ATOM 61 C THR A 6 -10.398 -5.989 4.352 1.00 0.00 C ATOM 62 O THR A 6 -10.829 -7.096 4.683 1.00 0.00 O ATOM 63 CB THR A 6 -11.080 -4.209 6.049 1.00 0.00 C ATOM 64 OG1 THR A 6 -12.288 -4.260 6.794 1.00 0.00 O ATOM 65 CG2 THR A 6 -10.600 -2.762 6.118 1.00 0.00 C ATOM 0 H THR A 6 -13.250 -4.800 5.150 1.00 0.00 H new ATOM 0 HA THR A 6 -10.927 -3.957 3.917 1.00 0.00 H new ATOM 0 HB THR A 6 -10.325 -4.872 6.471 1.00 0.00 H new ATOM 0 HG1 THR A 6 -12.129 -3.918 7.699 1.00 0.00 H new ATOM 0 HG21 THR A 6 -10.501 -2.461 7.161 1.00 0.00 H new ATOM 0 HG22 THR A 6 -9.633 -2.675 5.622 1.00 0.00 H new ATOM 0 HG23 THR A 6 -11.323 -2.115 5.621 1.00 0.00 H new ATOM 73 N PRO A 7 -9.174 -5.845 3.819 1.00 0.00 N ATOM 74 CA PRO A 7 -8.331 -6.993 3.513 1.00 0.00 C ATOM 75 C PRO A 7 -7.935 -7.753 4.782 1.00 0.00 C ATOM 76 O PRO A 7 -7.783 -8.974 4.740 1.00 0.00 O ATOM 77 CB PRO A 7 -7.126 -6.431 2.749 1.00 0.00 C ATOM 78 CG PRO A 7 -7.083 -4.959 3.152 1.00 0.00 C ATOM 79 CD PRO A 7 -8.542 -4.605 3.402 1.00 0.00 C ATOM 0 HA PRO A 7 -8.854 -7.732 2.906 1.00 0.00 H new ATOM 0 HB2 PRO A 7 -6.205 -6.946 3.022 1.00 0.00 H new ATOM 0 HB3 PRO A 7 -7.248 -6.546 1.672 1.00 0.00 H new ATOM 0 HG2 PRO A 7 -6.476 -4.807 4.045 1.00 0.00 H new ATOM 0 HG3 PRO A 7 -6.651 -4.342 2.364 1.00 0.00 H new ATOM 0 HD2 PRO A 7 -8.634 -3.839 4.172 1.00 0.00 H new ATOM 0 HD3 PRO A 7 -9.010 -4.209 2.501 1.00 0.00 H new ATOM 87 N HIS A 8 -7.783 -7.066 5.919 1.00 0.00 N ATOM 88 CA HIS A 8 -7.445 -7.683 7.193 1.00 0.00 C ATOM 89 C HIS A 8 -7.824 -6.719 8.330 1.00 0.00 C ATOM 90 O HIS A 8 -7.842 -5.514 8.073 1.00 0.00 O ATOM 91 CB HIS A 8 -5.928 -7.942 7.185 1.00 0.00 C ATOM 92 CG HIS A 8 -5.558 -9.132 8.009 1.00 0.00 C ATOM 93 ND1 HIS A 8 -4.989 -9.080 9.254 1.00 0.00 N ATOM 94 CD2 HIS A 8 -5.730 -10.449 7.675 1.00 0.00 C ATOM 95 CE1 HIS A 8 -4.843 -10.335 9.692 1.00 0.00 C ATOM 96 NE2 HIS A 8 -5.243 -11.200 8.746 1.00 0.00 N ATOM 0 H HIS A 8 -7.894 -6.054 5.974 1.00 0.00 H new ATOM 0 HA HIS A 8 -7.983 -8.619 7.343 1.00 0.00 H new ATOM 0 HB2 HIS A 8 -5.592 -8.093 6.159 1.00 0.00 H new ATOM 0 HB3 HIS A 8 -5.408 -7.062 7.565 1.00 0.00 H new ATOM 0 HD2 HIS A 8 -6.159 -10.832 6.761 1.00 0.00 H new ATOM 0 HE1 HIS A 8 -4.460 -10.612 10.663 1.00 0.00 H new ATOM 0 HE2 HIS A 8 -5.199 -12.218 8.800 1.00 0.00 H new ATOM 104 N PRO A 9 -8.068 -7.169 9.577 1.00 0.00 N ATOM 105 CA PRO A 9 -8.262 -6.269 10.716 1.00 0.00 C ATOM 106 C PRO A 9 -6.940 -5.809 11.348 1.00 0.00 C ATOM 107 O PRO A 9 -6.904 -4.728 11.932 1.00 0.00 O ATOM 108 CB PRO A 9 -9.116 -7.052 11.715 1.00 0.00 C ATOM 109 CG PRO A 9 -8.683 -8.491 11.465 1.00 0.00 C ATOM 110 CD PRO A 9 -8.394 -8.535 9.962 1.00 0.00 C ATOM 0 HA PRO A 9 -8.747 -5.347 10.396 1.00 0.00 H new ATOM 0 HB2 PRO A 9 -8.923 -6.743 12.742 1.00 0.00 H new ATOM 0 HB3 PRO A 9 -10.182 -6.912 11.535 1.00 0.00 H new ATOM 0 HG2 PRO A 9 -7.800 -8.749 12.049 1.00 0.00 H new ATOM 0 HG3 PRO A 9 -9.466 -9.197 11.742 1.00 0.00 H new ATOM 0 HD2 PRO A 9 -7.567 -9.210 9.743 1.00 0.00 H new ATOM 0 HD3 PRO A 9 -9.259 -8.901 9.409 1.00 0.00 H new ATOM 118 N GLN A 10 -5.842 -6.573 11.218 1.00 0.00 N ATOM 119 CA GLN A 10 -4.511 -6.086 11.621 1.00 0.00 C ATOM 120 C GLN A 10 -4.055 -4.897 10.758 1.00 0.00 C ATOM 121 O GLN A 10 -3.103 -4.218 11.148 1.00 0.00 O ATOM 122 CB GLN A 10 -3.420 -7.172 11.531 1.00 0.00 C ATOM 123 CG GLN A 10 -3.455 -8.263 12.612 1.00 0.00 C ATOM 124 CD GLN A 10 -2.670 -7.829 13.853 1.00 0.00 C ATOM 125 OE1 GLN A 10 -3.242 -7.573 14.908 1.00 0.00 O ATOM 126 NE2 GLN A 10 -1.355 -7.701 13.751 1.00 0.00 N ATOM 0 H GLN A 10 -5.848 -7.521 10.841 1.00 0.00 H new ATOM 0 HA GLN A 10 -4.628 -5.781 12.661 1.00 0.00 H new ATOM 0 HB2 GLN A 10 -3.496 -7.654 10.556 1.00 0.00 H new ATOM 0 HB3 GLN A 10 -2.447 -6.683 11.570 1.00 0.00 H new ATOM 0 HG2 GLN A 10 -4.488 -8.475 12.886 1.00 0.00 H new ATOM 0 HG3 GLN A 10 -3.034 -9.187 12.215 1.00 0.00 H new ATOM 0 HE21 GLN A 10 -0.888 -7.916 12.870 1.00 0.00 H new ATOM 0 HE22 GLN A 10 -0.809 -7.387 14.554 1.00 0.00 H new ATOM 135 N LEU A 11 -4.660 -4.699 9.578 1.00 0.00 N ATOM 136 CA LEU A 11 -4.394 -3.563 8.701 1.00 0.00 C ATOM 137 C LEU A 11 -5.114 -2.332 9.243 1.00 0.00 C ATOM 138 O LEU A 11 -6.338 -2.350 9.389 1.00 0.00 O ATOM 139 CB LEU A 11 -4.839 -3.887 7.265 1.00 0.00 C ATOM 140 CG LEU A 11 -4.642 -2.706 6.285 1.00 0.00 C ATOM 141 CD1 LEU A 11 -3.941 -3.187 5.010 1.00 0.00 C ATOM 142 CD2 LEU A 11 -5.979 -2.058 5.907 1.00 0.00 C ATOM 0 H LEU A 11 -5.360 -5.340 9.205 1.00 0.00 H new ATOM 0 HA LEU A 11 -3.324 -3.357 8.676 1.00 0.00 H new ATOM 0 HB2 LEU A 11 -4.278 -4.748 6.903 1.00 0.00 H new ATOM 0 HB3 LEU A 11 -5.891 -4.172 7.273 1.00 0.00 H new ATOM 0 HG LEU A 11 -4.026 -1.962 6.791 1.00 0.00 H new ATOM 0 HD11 LEU A 11 -3.808 -2.347 4.329 1.00 0.00 H new ATOM 0 HD12 LEU A 11 -2.967 -3.604 5.266 1.00 0.00 H new ATOM 0 HD13 LEU A 11 -4.548 -3.953 4.528 1.00 0.00 H new ATOM 0 HD21 LEU A 11 -5.801 -1.233 5.218 1.00 0.00 H new ATOM 0 HD22 LEU A 11 -6.620 -2.799 5.429 1.00 0.00 H new ATOM 0 HD23 LEU A 11 -6.468 -1.681 6.806 1.00 0.00 H new ATOM 154 N ILE A 12 -4.359 -1.266 9.501 1.00 0.00 N ATOM 155 CA ILE A 12 -4.837 0.002 10.031 1.00 0.00 C ATOM 156 C ILE A 12 -4.410 1.079 9.038 1.00 0.00 C ATOM 157 O ILE A 12 -3.230 1.396 8.912 1.00 0.00 O ATOM 158 CB ILE A 12 -4.288 0.226 11.457 1.00 0.00 C ATOM 159 CG1 ILE A 12 -4.731 -0.881 12.446 1.00 0.00 C ATOM 160 CG2 ILE A 12 -4.633 1.610 12.029 1.00 0.00 C ATOM 161 CD1 ILE A 12 -6.242 -1.052 12.640 1.00 0.00 C ATOM 0 H ILE A 12 -3.352 -1.266 9.338 1.00 0.00 H new ATOM 0 HA ILE A 12 -5.922 0.025 10.134 1.00 0.00 H new ATOM 0 HB ILE A 12 -3.205 0.175 11.348 1.00 0.00 H new ATOM 0 HG12 ILE A 12 -4.320 -1.831 12.103 1.00 0.00 H new ATOM 0 HG13 ILE A 12 -4.283 -0.672 13.417 1.00 0.00 H new ATOM 0 HG21 ILE A 12 -4.218 1.703 13.033 1.00 0.00 H new ATOM 0 HG22 ILE A 12 -4.210 2.384 11.389 1.00 0.00 H new ATOM 0 HG23 ILE A 12 -5.716 1.726 12.072 1.00 0.00 H new ATOM 0 HD11 ILE A 12 -6.429 -1.855 13.353 1.00 0.00 H new ATOM 0 HD12 ILE A 12 -6.668 -0.123 13.020 1.00 0.00 H new ATOM 0 HD13 ILE A 12 -6.706 -1.300 11.685 1.00 0.00 H new ATOM 173 N TRP A 13 -5.394 1.620 8.317 1.00 0.00 N ATOM 174 CA TRP A 13 -5.212 2.619 7.272 1.00 0.00 C ATOM 175 C TRP A 13 -4.426 3.852 7.737 1.00 0.00 C ATOM 176 O TRP A 13 -4.552 4.240 8.905 1.00 0.00 O ATOM 177 CB TRP A 13 -6.590 3.081 6.803 1.00 0.00 C ATOM 178 CG TRP A 13 -7.507 2.009 6.311 1.00 0.00 C ATOM 179 CD1 TRP A 13 -8.576 1.526 6.979 1.00 0.00 C ATOM 180 CD2 TRP A 13 -7.441 1.255 5.063 1.00 0.00 C ATOM 181 NE1 TRP A 13 -9.174 0.532 6.238 1.00 0.00 N ATOM 182 CE2 TRP A 13 -8.499 0.296 5.058 1.00 0.00 C ATOM 183 CE3 TRP A 13 -6.595 1.291 3.933 1.00 0.00 C ATOM 184 CZ2 TRP A 13 -8.685 -0.604 3.997 1.00 0.00 C ATOM 185 CZ3 TRP A 13 -6.762 0.375 2.878 1.00 0.00 C ATOM 186 CH2 TRP A 13 -7.786 -0.585 2.921 1.00 0.00 C ATOM 0 H TRP A 13 -6.372 1.363 8.452 1.00 0.00 H new ATOM 0 HA TRP A 13 -4.636 2.149 6.475 1.00 0.00 H new ATOM 0 HB2 TRP A 13 -7.078 3.599 7.629 1.00 0.00 H new ATOM 0 HB3 TRP A 13 -6.455 3.811 6.005 1.00 0.00 H new ATOM 0 HD1 TRP A 13 -8.911 1.867 7.947 1.00 0.00 H new ATOM 0 HE1 TRP A 13 -10.014 0.031 6.526 1.00 0.00 H new ATOM 0 HE3 TRP A 13 -5.810 2.031 3.878 1.00 0.00 H new ATOM 0 HZ2 TRP A 13 -9.509 -1.302 4.009 1.00 0.00 H new ATOM 0 HZ3 TRP A 13 -6.097 0.411 2.028 1.00 0.00 H new ATOM 0 HH2 TRP A 13 -7.881 -1.309 2.125 1.00 0.00 H new ATOM 197 N PRO A 14 -3.773 4.576 6.812 1.00 0.00 N ATOM 198 CA PRO A 14 -3.703 4.264 5.387 1.00 0.00 C ATOM 199 C PRO A 14 -2.887 3.006 5.064 1.00 0.00 C ATOM 200 O PRO A 14 -2.216 2.450 5.933 1.00 0.00 O ATOM 201 CB PRO A 14 -3.063 5.478 4.742 1.00 0.00 C ATOM 202 CG PRO A 14 -2.234 6.101 5.860 1.00 0.00 C ATOM 203 CD PRO A 14 -3.125 5.849 7.071 1.00 0.00 C ATOM 0 HA PRO A 14 -4.704 4.050 5.012 1.00 0.00 H new ATOM 0 HB2 PRO A 14 -2.440 5.196 3.893 1.00 0.00 H new ATOM 0 HB3 PRO A 14 -3.815 6.173 4.368 1.00 0.00 H new ATOM 0 HG2 PRO A 14 -1.258 5.626 5.962 1.00 0.00 H new ATOM 0 HG3 PRO A 14 -2.055 7.164 5.696 1.00 0.00 H new ATOM 0 HD2 PRO A 14 -2.539 5.812 7.989 1.00 0.00 H new ATOM 0 HD3 PRO A 14 -3.858 6.646 7.192 1.00 0.00 H new ATOM 211 N ALA A 15 -2.971 2.551 3.811 1.00 0.00 N ATOM 212 CA ALA A 15 -2.222 1.407 3.312 1.00 0.00 C ATOM 213 C ALA A 15 -1.660 1.692 1.923 1.00 0.00 C ATOM 214 O ALA A 15 -2.030 2.666 1.272 1.00 0.00 O ATOM 215 CB ALA A 15 -3.105 0.154 3.297 1.00 0.00 C ATOM 0 H ALA A 15 -3.573 2.978 3.107 1.00 0.00 H new ATOM 0 HA ALA A 15 -1.383 1.226 3.983 1.00 0.00 H new ATOM 0 HB1 ALA A 15 -2.530 -0.692 2.921 1.00 0.00 H new ATOM 0 HB2 ALA A 15 -3.448 -0.061 4.309 1.00 0.00 H new ATOM 0 HB3 ALA A 15 -3.966 0.323 2.650 1.00 0.00 H new ATOM 221 N LEU A 16 -0.766 0.816 1.478 1.00 0.00 N ATOM 222 CA LEU A 16 -0.013 0.895 0.240 1.00 0.00 C ATOM 223 C LEU A 16 -0.023 -0.490 -0.382 1.00 0.00 C ATOM 224 O LEU A 16 0.586 -1.408 0.172 1.00 0.00 O ATOM 225 CB LEU A 16 1.428 1.344 0.546 1.00 0.00 C ATOM 226 CG LEU A 16 1.563 2.873 0.624 1.00 0.00 C ATOM 227 CD1 LEU A 16 2.860 3.262 1.342 1.00 0.00 C ATOM 228 CD2 LEU A 16 1.565 3.488 -0.780 1.00 0.00 C ATOM 0 H LEU A 16 -0.536 -0.023 2.011 1.00 0.00 H new ATOM 0 HA LEU A 16 -0.452 1.618 -0.448 1.00 0.00 H new ATOM 0 HB2 LEU A 16 1.749 0.905 1.491 1.00 0.00 H new ATOM 0 HB3 LEU A 16 2.096 0.962 -0.226 1.00 0.00 H new ATOM 0 HG LEU A 16 0.709 3.255 1.184 1.00 0.00 H new ATOM 0 HD11 LEU A 16 2.939 4.348 1.388 1.00 0.00 H new ATOM 0 HD12 LEU A 16 2.852 2.856 2.353 1.00 0.00 H new ATOM 0 HD13 LEU A 16 3.713 2.859 0.796 1.00 0.00 H new ATOM 0 HD21 LEU A 16 1.661 4.571 -0.703 1.00 0.00 H new ATOM 0 HD22 LEU A 16 2.403 3.089 -1.351 1.00 0.00 H new ATOM 0 HD23 LEU A 16 0.632 3.242 -1.286 1.00 0.00 H new ATOM 240 N LEU A 17 -0.756 -0.665 -1.482 1.00 0.00 N ATOM 241 CA LEU A 17 -0.757 -1.911 -2.249 1.00 0.00 C ATOM 242 C LEU A 17 0.472 -1.926 -3.158 1.00 0.00 C ATOM 243 O LEU A 17 0.823 -0.872 -3.700 1.00 0.00 O ATOM 244 CB LEU A 17 -2.049 -1.976 -3.081 1.00 0.00 C ATOM 245 CG LEU A 17 -2.243 -3.255 -3.925 1.00 0.00 C ATOM 246 CD1 LEU A 17 -2.874 -4.368 -3.088 1.00 0.00 C ATOM 247 CD2 LEU A 17 -3.150 -2.968 -5.124 1.00 0.00 C ATOM 0 H LEU A 17 -1.367 0.055 -1.867 1.00 0.00 H new ATOM 0 HA LEU A 17 -0.719 -2.776 -1.587 1.00 0.00 H new ATOM 0 HB2 LEU A 17 -2.899 -1.877 -2.406 1.00 0.00 H new ATOM 0 HB3 LEU A 17 -2.072 -1.116 -3.750 1.00 0.00 H new ATOM 0 HG LEU A 17 -1.261 -3.576 -4.272 1.00 0.00 H new ATOM 0 HD11 LEU A 17 -3.001 -5.259 -3.703 1.00 0.00 H new ATOM 0 HD12 LEU A 17 -2.226 -4.600 -2.243 1.00 0.00 H new ATOM 0 HD13 LEU A 17 -3.846 -4.040 -2.720 1.00 0.00 H new ATOM 0 HD21 LEU A 17 -3.278 -3.878 -5.710 1.00 0.00 H new ATOM 0 HD22 LEU A 17 -4.122 -2.624 -4.771 1.00 0.00 H new ATOM 0 HD23 LEU A 17 -2.697 -2.197 -5.747 1.00 0.00 H new ATOM 259 N LYS A 18 1.090 -3.094 -3.381 1.00 0.00 N ATOM 260 CA LYS A 18 2.117 -3.261 -4.408 1.00 0.00 C ATOM 261 C LYS A 18 2.031 -4.666 -5.001 1.00 0.00 C ATOM 262 O LYS A 18 2.647 -5.609 -4.485 1.00 0.00 O ATOM 263 CB LYS A 18 3.517 -2.941 -3.849 1.00 0.00 C ATOM 264 CG LYS A 18 4.308 -2.041 -4.799 1.00 0.00 C ATOM 265 CD LYS A 18 4.668 -2.678 -6.142 1.00 0.00 C ATOM 266 CE LYS A 18 5.352 -4.045 -6.036 1.00 0.00 C ATOM 267 NZ LYS A 18 6.656 -4.012 -5.341 1.00 0.00 N ATOM 0 H LYS A 18 0.890 -3.944 -2.854 1.00 0.00 H new ATOM 0 HA LYS A 18 1.939 -2.549 -5.214 1.00 0.00 H new ATOM 0 HB2 LYS A 18 3.420 -2.452 -2.880 1.00 0.00 H new ATOM 0 HB3 LYS A 18 4.065 -3.869 -3.685 1.00 0.00 H new ATOM 0 HG2 LYS A 18 3.728 -1.137 -4.986 1.00 0.00 H new ATOM 0 HG3 LYS A 18 5.228 -1.733 -4.302 1.00 0.00 H new ATOM 0 HD2 LYS A 18 3.759 -2.786 -6.733 1.00 0.00 H new ATOM 0 HD3 LYS A 18 5.324 -1.999 -6.687 1.00 0.00 H new ATOM 0 HE2 LYS A 18 4.689 -4.732 -5.510 1.00 0.00 H new ATOM 0 HE3 LYS A 18 5.496 -4.446 -7.039 1.00 0.00 H new ATOM 0 HZ1 LYS A 18 7.056 -4.971 -5.309 1.00 0.00 H new ATOM 0 HZ2 LYS A 18 7.306 -3.382 -5.853 1.00 0.00 H new ATOM 0 HZ3 LYS A 18 6.524 -3.659 -4.372 1.00 0.00 H new ATOM 281 N GLN A 19 1.301 -4.795 -6.107 1.00 0.00 N ATOM 282 CA GLN A 19 1.119 -6.066 -6.781 1.00 0.00 C ATOM 283 C GLN A 19 2.466 -6.661 -7.159 1.00 0.00 C ATOM 284 O GLN A 19 3.389 -5.950 -7.559 1.00 0.00 O ATOM 285 CB GLN A 19 0.305 -5.906 -8.069 1.00 0.00 C ATOM 286 CG GLN A 19 -1.163 -5.553 -7.837 1.00 0.00 C ATOM 287 CD GLN A 19 -1.978 -5.992 -9.048 1.00 0.00 C ATOM 288 OE1 GLN A 19 -1.971 -5.367 -10.099 1.00 0.00 O ATOM 289 NE2 GLN A 19 -2.614 -7.144 -9.005 1.00 0.00 N ATOM 0 H GLN A 19 0.821 -4.016 -6.557 1.00 0.00 H new ATOM 0 HA GLN A 19 0.587 -6.719 -6.089 1.00 0.00 H new ATOM 0 HB2 GLN A 19 0.762 -5.129 -8.681 1.00 0.00 H new ATOM 0 HB3 GLN A 19 0.359 -6.834 -8.638 1.00 0.00 H new ATOM 0 HG2 GLN A 19 -1.531 -6.046 -6.937 1.00 0.00 H new ATOM 0 HG3 GLN A 19 -1.272 -4.480 -7.679 1.00 0.00 H new ATOM 0 HE21 GLN A 19 -2.634 -7.684 -8.140 1.00 0.00 H new ATOM 0 HE22 GLN A 19 -3.087 -7.497 -9.837 1.00 0.00 H new ATOM 298 N GLN A 20 2.527 -7.991 -7.193 1.00 0.00 N ATOM 299 CA GLN A 20 3.678 -8.716 -7.714 1.00 0.00 C ATOM 300 C GLN A 20 3.914 -8.474 -9.213 1.00 0.00 C ATOM 301 O GLN A 20 4.964 -8.847 -9.740 1.00 0.00 O ATOM 302 CB GLN A 20 3.513 -10.216 -7.409 1.00 0.00 C ATOM 303 CG GLN A 20 4.813 -10.850 -6.901 1.00 0.00 C ATOM 304 CD GLN A 20 4.712 -12.371 -6.870 1.00 0.00 C ATOM 305 OE1 GLN A 20 5.433 -13.067 -7.574 1.00 0.00 O ATOM 306 NE2 GLN A 20 3.825 -12.915 -6.048 1.00 0.00 N ATOM 0 H GLN A 20 1.776 -8.595 -6.859 1.00 0.00 H new ATOM 0 HA GLN A 20 4.567 -8.334 -7.212 1.00 0.00 H new ATOM 0 HB2 GLN A 20 2.730 -10.349 -6.663 1.00 0.00 H new ATOM 0 HB3 GLN A 20 3.186 -10.734 -8.310 1.00 0.00 H new ATOM 0 HG2 GLN A 20 5.641 -10.551 -7.544 1.00 0.00 H new ATOM 0 HG3 GLN A 20 5.035 -10.478 -5.901 1.00 0.00 H new ATOM 0 HE21 GLN A 20 3.233 -12.319 -5.469 1.00 0.00 H new ATOM 0 HE22 GLN A 20 3.735 -13.930 -5.994 1.00 0.00 H new ATOM 315 N GLY A 21 2.966 -7.831 -9.889 1.00 0.00 N ATOM 316 CA GLY A 21 2.963 -7.580 -11.324 1.00 0.00 C ATOM 317 C GLY A 21 3.194 -6.116 -11.708 1.00 0.00 C ATOM 318 O GLY A 21 3.219 -5.824 -12.904 1.00 0.00 O ATOM 0 H GLY A 21 2.139 -7.453 -9.427 1.00 0.00 H new ATOM 0 HA2 GLY A 21 3.736 -8.192 -11.790 1.00 0.00 H new ATOM 0 HA3 GLY A 21 2.008 -7.905 -11.736 1.00 0.00 H new ATOM 322 N CYS A 22 3.387 -5.193 -10.757 1.00 0.00 N ATOM 323 CA CYS A 22 3.659 -3.785 -11.059 1.00 0.00 C ATOM 324 C CYS A 22 4.658 -3.203 -10.077 1.00 0.00 C ATOM 325 O CYS A 22 5.142 -3.888 -9.174 1.00 0.00 O ATOM 326 CB CYS A 22 2.354 -2.962 -11.042 1.00 0.00 C ATOM 327 SG CYS A 22 2.126 -2.163 -12.650 1.00 0.00 S ATOM 0 H CYS A 22 3.359 -5.402 -9.759 1.00 0.00 H new ATOM 0 HA CYS A 22 4.090 -3.734 -12.059 1.00 0.00 H new ATOM 0 HB2 CYS A 22 1.505 -3.610 -10.822 1.00 0.00 H new ATOM 0 HB3 CYS A 22 2.395 -2.211 -10.253 1.00 0.00 H new ATOM 0 HG CYS A 22 1.026 -1.471 -12.638 1.00 0.00 H new ATOM 333 N ASN A 23 4.996 -1.937 -10.287 1.00 0.00 N ATOM 334 CA ASN A 23 5.875 -1.161 -9.429 1.00 0.00 C ATOM 335 C ASN A 23 5.130 0.068 -8.932 1.00 0.00 C ATOM 336 O ASN A 23 5.601 0.687 -7.985 1.00 0.00 O ATOM 337 CB ASN A 23 7.161 -0.738 -10.156 1.00 0.00 C ATOM 338 CG ASN A 23 7.876 -1.908 -10.811 1.00 0.00 C ATOM 339 OD1 ASN A 23 8.762 -2.513 -10.214 1.00 0.00 O ATOM 340 ND2 ASN A 23 7.453 -2.297 -12.003 1.00 0.00 N ATOM 0 H ASN A 23 4.653 -1.406 -11.088 1.00 0.00 H new ATOM 0 HA ASN A 23 6.170 -1.788 -8.588 1.00 0.00 H new ATOM 0 HB2 ASN A 23 6.917 0.005 -10.916 1.00 0.00 H new ATOM 0 HB3 ASN A 23 7.834 -0.258 -9.446 1.00 0.00 H new ATOM 0 HD21 ASN A 23 7.865 -3.118 -12.447 1.00 0.00 H new ATOM 0 HD22 ASN A 23 6.715 -1.776 -12.477 1.00 0.00 H new ATOM 347 N GLU A 24 3.981 0.422 -9.523 1.00 0.00 N ATOM 348 CA GLU A 24 3.177 1.530 -9.031 1.00 0.00 C ATOM 349 C GLU A 24 2.658 1.141 -7.645 1.00 0.00 C ATOM 350 O GLU A 24 1.963 0.136 -7.490 1.00 0.00 O ATOM 351 CB GLU A 24 2.025 1.873 -9.994 1.00 0.00 C ATOM 352 CG GLU A 24 1.358 3.196 -9.560 1.00 0.00 C ATOM 353 CD GLU A 24 0.090 3.596 -10.333 1.00 0.00 C ATOM 354 OE1 GLU A 24 -0.705 2.700 -10.708 1.00 0.00 O ATOM 355 OE2 GLU A 24 -0.145 4.822 -10.465 1.00 0.00 O ATOM 0 H GLU A 24 3.594 -0.048 -10.342 1.00 0.00 H new ATOM 0 HA GLU A 24 3.785 2.432 -8.965 1.00 0.00 H new ATOM 0 HB2 GLU A 24 2.404 1.963 -11.012 1.00 0.00 H new ATOM 0 HB3 GLU A 24 1.290 1.068 -9.998 1.00 0.00 H new ATOM 0 HG2 GLU A 24 1.107 3.123 -8.502 1.00 0.00 H new ATOM 0 HG3 GLU A 24 2.089 3.998 -9.660 1.00 0.00 H new ATOM 362 N LEU A 25 3.057 1.891 -6.623 1.00 0.00 N ATOM 363 CA LEU A 25 2.482 1.804 -5.294 1.00 0.00 C ATOM 364 C LEU A 25 1.123 2.469 -5.358 1.00 0.00 C ATOM 365 O LEU A 25 1.002 3.550 -5.929 1.00 0.00 O ATOM 366 CB LEU A 25 3.357 2.542 -4.269 1.00 0.00 C ATOM 367 CG LEU A 25 4.507 1.702 -3.682 1.00 0.00 C ATOM 368 CD1 LEU A 25 3.983 0.666 -2.684 1.00 0.00 C ATOM 369 CD2 LEU A 25 5.449 1.067 -4.706 1.00 0.00 C ATOM 0 H LEU A 25 3.800 2.585 -6.700 1.00 0.00 H new ATOM 0 HA LEU A 25 2.409 0.762 -4.984 1.00 0.00 H new ATOM 0 HB2 LEU A 25 3.778 3.429 -4.742 1.00 0.00 H new ATOM 0 HB3 LEU A 25 2.723 2.887 -3.452 1.00 0.00 H new ATOM 0 HG LEU A 25 5.132 2.424 -3.155 1.00 0.00 H new ATOM 0 HD11 LEU A 25 4.818 0.089 -2.287 1.00 0.00 H new ATOM 0 HD12 LEU A 25 3.472 1.174 -1.866 1.00 0.00 H new ATOM 0 HD13 LEU A 25 3.286 -0.004 -3.187 1.00 0.00 H new ATOM 0 HD21 LEU A 25 6.221 0.499 -4.187 1.00 0.00 H new ATOM 0 HD22 LEU A 25 4.883 0.400 -5.356 1.00 0.00 H new ATOM 0 HD23 LEU A 25 5.915 1.849 -5.305 1.00 0.00 H new ATOM 381 N LEU A 26 0.139 1.836 -4.732 1.00 0.00 N ATOM 382 CA LEU A 26 -1.268 2.203 -4.773 1.00 0.00 C ATOM 383 C LEU A 26 -1.671 2.738 -3.395 1.00 0.00 C ATOM 384 O LEU A 26 -1.975 1.934 -2.506 1.00 0.00 O ATOM 385 CB LEU A 26 -2.116 1.022 -5.283 1.00 0.00 C ATOM 386 CG LEU A 26 -2.791 1.256 -6.641 1.00 0.00 C ATOM 387 CD1 LEU A 26 -3.880 2.329 -6.556 1.00 0.00 C ATOM 388 CD2 LEU A 26 -1.786 1.591 -7.746 1.00 0.00 C ATOM 0 H LEU A 26 0.310 1.013 -4.154 1.00 0.00 H new ATOM 0 HA LEU A 26 -1.452 3.005 -5.488 1.00 0.00 H new ATOM 0 HB2 LEU A 26 -1.479 0.140 -5.356 1.00 0.00 H new ATOM 0 HB3 LEU A 26 -2.885 0.799 -4.544 1.00 0.00 H new ATOM 0 HG LEU A 26 -3.265 0.312 -6.910 1.00 0.00 H new ATOM 0 HD11 LEU A 26 -4.334 2.465 -7.538 1.00 0.00 H new ATOM 0 HD12 LEU A 26 -4.644 2.017 -5.843 1.00 0.00 H new ATOM 0 HD13 LEU A 26 -3.439 3.270 -6.226 1.00 0.00 H new ATOM 0 HD21 LEU A 26 -2.317 1.747 -8.685 1.00 0.00 H new ATOM 0 HD22 LEU A 26 -1.243 2.498 -7.481 1.00 0.00 H new ATOM 0 HD23 LEU A 26 -1.082 0.767 -7.860 1.00 0.00 H new ATOM 400 N PRO A 27 -1.492 4.045 -3.125 1.00 0.00 N ATOM 401 CA PRO A 27 -1.818 4.652 -1.841 1.00 0.00 C ATOM 402 C PRO A 27 -3.322 4.591 -1.601 1.00 0.00 C ATOM 403 O PRO A 27 -4.109 4.886 -2.502 1.00 0.00 O ATOM 404 CB PRO A 27 -1.320 6.101 -1.940 1.00 0.00 C ATOM 405 CG PRO A 27 -1.462 6.415 -3.425 1.00 0.00 C ATOM 406 CD PRO A 27 -1.099 5.082 -4.073 1.00 0.00 C ATOM 0 HA PRO A 27 -1.352 4.134 -1.003 1.00 0.00 H new ATOM 0 HB2 PRO A 27 -1.917 6.775 -1.327 1.00 0.00 H new ATOM 0 HB3 PRO A 27 -0.287 6.196 -1.605 1.00 0.00 H new ATOM 0 HG2 PRO A 27 -2.474 6.729 -3.680 1.00 0.00 H new ATOM 0 HG3 PRO A 27 -0.792 7.216 -3.738 1.00 0.00 H new ATOM 0 HD2 PRO A 27 -1.619 4.957 -5.023 1.00 0.00 H new ATOM 0 HD3 PRO A 27 -0.031 5.031 -4.285 1.00 0.00 H new ATOM 414 N LEU A 28 -3.732 4.239 -0.383 1.00 0.00 N ATOM 415 CA LEU A 28 -5.129 4.100 0.010 1.00 0.00 C ATOM 416 C LEU A 28 -5.304 4.829 1.338 1.00 0.00 C ATOM 417 O LEU A 28 -4.953 4.291 2.392 1.00 0.00 O ATOM 418 CB LEU A 28 -5.481 2.607 0.126 1.00 0.00 C ATOM 419 CG LEU A 28 -5.387 1.825 -1.206 1.00 0.00 C ATOM 420 CD1 LEU A 28 -4.971 0.379 -0.930 1.00 0.00 C ATOM 421 CD2 LEU A 28 -6.712 1.862 -1.972 1.00 0.00 C ATOM 0 H LEU A 28 -3.082 4.038 0.377 1.00 0.00 H new ATOM 0 HA LEU A 28 -5.801 4.534 -0.730 1.00 0.00 H new ATOM 0 HB2 LEU A 28 -4.814 2.144 0.853 1.00 0.00 H new ATOM 0 HB3 LEU A 28 -6.494 2.514 0.518 1.00 0.00 H new ATOM 0 HG LEU A 28 -4.632 2.304 -1.830 1.00 0.00 H new ATOM 0 HD11 LEU A 28 -4.906 -0.167 -1.871 1.00 0.00 H new ATOM 0 HD12 LEU A 28 -3.999 0.368 -0.437 1.00 0.00 H new ATOM 0 HD13 LEU A 28 -5.711 -0.096 -0.285 1.00 0.00 H new ATOM 0 HD21 LEU A 28 -6.610 1.303 -2.902 1.00 0.00 H new ATOM 0 HD22 LEU A 28 -7.497 1.413 -1.363 1.00 0.00 H new ATOM 0 HD23 LEU A 28 -6.974 2.896 -2.197 1.00 0.00 H new ATOM 433 N ARG A 29 -5.801 6.070 1.295 1.00 0.00 N ATOM 434 CA ARG A 29 -5.987 6.954 2.452 1.00 0.00 C ATOM 435 C ARG A 29 -6.747 6.250 3.571 1.00 0.00 C ATOM 436 O ARG A 29 -6.397 6.408 4.741 1.00 0.00 O ATOM 437 CB ARG A 29 -6.796 8.184 2.017 1.00 0.00 C ATOM 438 CG ARG A 29 -5.994 9.344 1.416 1.00 0.00 C ATOM 439 CD ARG A 29 -5.681 10.415 2.467 1.00 0.00 C ATOM 440 NE ARG A 29 -5.281 11.691 1.855 1.00 0.00 N ATOM 441 CZ ARG A 29 -6.006 12.809 1.720 1.00 0.00 C ATOM 442 NH1 ARG A 29 -7.324 12.805 1.899 1.00 0.00 N ATOM 443 NH2 ARG A 29 -5.402 13.950 1.420 1.00 0.00 N ATOM 0 H ARG A 29 -6.096 6.503 0.420 1.00 0.00 H new ATOM 0 HA ARG A 29 -5.003 7.242 2.822 1.00 0.00 H new ATOM 0 HB2 ARG A 29 -7.538 7.865 1.285 1.00 0.00 H new ATOM 0 HB3 ARG A 29 -7.343 8.558 2.883 1.00 0.00 H new ATOM 0 HG2 ARG A 29 -5.064 8.964 0.994 1.00 0.00 H new ATOM 0 HG3 ARG A 29 -6.557 9.791 0.596 1.00 0.00 H new ATOM 0 HD2 ARG A 29 -6.558 10.574 3.094 1.00 0.00 H new ATOM 0 HD3 ARG A 29 -4.883 10.060 3.119 1.00 0.00 H new ATOM 0 HE ARG A 29 -4.331 11.729 1.487 1.00 0.00 H new ATOM 0 HH11 ARG A 29 -7.803 11.938 2.144 1.00 0.00 H new ATOM 0 HH12 ARG A 29 -7.856 13.669 1.791 1.00 0.00 H new ATOM 0 HH21 ARG A 29 -4.390 13.973 1.293 1.00 0.00 H new ATOM 0 HH22 ARG A 29 -5.949 14.805 1.316 1.00 0.00 H new ATOM 457 N THR A 30 -7.817 5.527 3.236 1.00 0.00 N ATOM 458 CA THR A 30 -8.652 4.844 4.211 1.00 0.00 C ATOM 459 C THR A 30 -9.463 3.762 3.512 1.00 0.00 C ATOM 460 O THR A 30 -9.355 3.559 2.304 1.00 0.00 O ATOM 461 CB THR A 30 -9.487 5.870 5.018 1.00 0.00 C ATOM 462 OG1 THR A 30 -10.204 5.285 6.088 1.00 0.00 O ATOM 463 CG2 THR A 30 -10.438 6.726 4.178 1.00 0.00 C ATOM 0 H THR A 30 -8.126 5.401 2.272 1.00 0.00 H new ATOM 0 HA THR A 30 -8.044 4.329 4.955 1.00 0.00 H new ATOM 0 HB THR A 30 -8.726 6.537 5.423 1.00 0.00 H new ATOM 0 HG1 THR A 30 -10.710 5.979 6.561 1.00 0.00 H new ATOM 0 HG21 THR A 30 -10.979 7.413 4.828 1.00 0.00 H new ATOM 0 HG22 THR A 30 -9.865 7.294 3.446 1.00 0.00 H new ATOM 0 HG23 THR A 30 -11.148 6.080 3.661 1.00 0.00 H new ATOM 471 N ASN A 31 -10.310 3.091 4.286 1.00 0.00 N ATOM 472 CA ASN A 31 -11.249 2.081 3.832 1.00 0.00 C ATOM 473 C ASN A 31 -12.067 2.591 2.653 1.00 0.00 C ATOM 474 O ASN A 31 -12.335 1.841 1.724 1.00 0.00 O ATOM 475 CB ASN A 31 -12.184 1.738 4.998 1.00 0.00 C ATOM 476 CG ASN A 31 -12.940 0.418 4.827 1.00 0.00 C ATOM 477 OD1 ASN A 31 -13.377 -0.155 5.816 1.00 0.00 O ATOM 478 ND2 ASN A 31 -13.132 -0.098 3.619 1.00 0.00 N ATOM 0 H ASN A 31 -10.360 3.247 5.293 1.00 0.00 H new ATOM 0 HA ASN A 31 -10.701 1.197 3.505 1.00 0.00 H new ATOM 0 HB2 ASN A 31 -11.599 1.693 5.917 1.00 0.00 H new ATOM 0 HB3 ASN A 31 -12.907 2.545 5.119 1.00 0.00 H new ATOM 0 HD21 ASN A 31 -13.645 -0.974 3.514 1.00 0.00 H new ATOM 0 HD22 ASN A 31 -12.767 0.381 2.796 1.00 0.00 H new ATOM 485 N ASP A 32 -12.457 3.861 2.683 1.00 0.00 N ATOM 486 CA ASP A 32 -13.249 4.494 1.636 1.00 0.00 C ATOM 487 C ASP A 32 -12.515 4.518 0.285 1.00 0.00 C ATOM 488 O ASP A 32 -13.128 4.365 -0.769 1.00 0.00 O ATOM 489 CB ASP A 32 -13.601 5.907 2.101 1.00 0.00 C ATOM 490 CG ASP A 32 -14.816 6.436 1.352 1.00 0.00 C ATOM 491 OD1 ASP A 32 -14.630 6.940 0.223 1.00 0.00 O ATOM 492 OD2 ASP A 32 -15.923 6.354 1.936 1.00 0.00 O ATOM 0 H ASP A 32 -12.226 4.491 3.451 1.00 0.00 H new ATOM 0 HA ASP A 32 -14.157 3.913 1.471 1.00 0.00 H new ATOM 0 HB2 ASP A 32 -13.802 5.903 3.172 1.00 0.00 H new ATOM 0 HB3 ASP A 32 -12.751 6.570 1.939 1.00 0.00 H new ATOM 497 N ASP A 33 -11.185 4.640 0.305 1.00 0.00 N ATOM 498 CA ASP A 33 -10.353 4.560 -0.897 1.00 0.00 C ATOM 499 C ASP A 33 -10.342 3.130 -1.416 1.00 0.00 C ATOM 500 O ASP A 33 -10.424 2.916 -2.620 1.00 0.00 O ATOM 501 CB ASP A 33 -8.906 5.018 -0.639 1.00 0.00 C ATOM 502 CG ASP A 33 -8.761 6.530 -0.733 1.00 0.00 C ATOM 503 OD1 ASP A 33 -9.577 7.255 -0.116 1.00 0.00 O ATOM 504 OD2 ASP A 33 -7.793 6.963 -1.395 1.00 0.00 O ATOM 0 H ASP A 33 -10.653 4.798 1.161 1.00 0.00 H new ATOM 0 HA ASP A 33 -10.786 5.232 -1.637 1.00 0.00 H new ATOM 0 HB2 ASP A 33 -8.591 4.684 0.350 1.00 0.00 H new ATOM 0 HB3 ASP A 33 -8.242 4.544 -1.362 1.00 0.00 H new ATOM 509 N TRP A 34 -10.271 2.141 -0.522 1.00 0.00 N ATOM 510 CA TRP A 34 -10.347 0.729 -0.884 1.00 0.00 C ATOM 511 C TRP A 34 -11.706 0.385 -1.500 1.00 0.00 C ATOM 512 O TRP A 34 -11.767 -0.438 -2.416 1.00 0.00 O ATOM 513 CB TRP A 34 -10.033 -0.111 0.356 1.00 0.00 C ATOM 514 CG TRP A 34 -10.143 -1.596 0.216 1.00 0.00 C ATOM 515 CD1 TRP A 34 -11.261 -2.324 0.427 1.00 0.00 C ATOM 516 CD2 TRP A 34 -9.113 -2.557 -0.146 1.00 0.00 C ATOM 517 NE1 TRP A 34 -10.990 -3.660 0.227 1.00 0.00 N ATOM 518 CE2 TRP A 34 -9.670 -3.866 -0.098 1.00 0.00 C ATOM 519 CE3 TRP A 34 -7.759 -2.456 -0.514 1.00 0.00 C ATOM 520 CZ2 TRP A 34 -8.910 -5.012 -0.367 1.00 0.00 C ATOM 521 CZ3 TRP A 34 -6.986 -3.597 -0.778 1.00 0.00 C ATOM 522 CH2 TRP A 34 -7.553 -4.878 -0.697 1.00 0.00 C ATOM 0 H TRP A 34 -10.158 2.301 0.479 1.00 0.00 H new ATOM 0 HA TRP A 34 -9.608 0.502 -1.653 1.00 0.00 H new ATOM 0 HB2 TRP A 34 -9.018 0.125 0.677 1.00 0.00 H new ATOM 0 HB3 TRP A 34 -10.702 0.204 1.157 1.00 0.00 H new ATOM 0 HD1 TRP A 34 -12.222 -1.920 0.710 1.00 0.00 H new ATOM 0 HE1 TRP A 34 -11.683 -4.404 0.310 1.00 0.00 H new ATOM 0 HE3 TRP A 34 -7.305 -1.480 -0.595 1.00 0.00 H new ATOM 0 HZ2 TRP A 34 -9.365 -5.990 -0.321 1.00 0.00 H new ATOM 0 HZ3 TRP A 34 -5.945 -3.488 -1.046 1.00 0.00 H new ATOM 0 HH2 TRP A 34 -6.950 -5.753 -0.887 1.00 0.00 H new ATOM 533 N GLN A 35 -12.789 1.031 -1.048 1.00 0.00 N ATOM 534 CA GLN A 35 -14.083 0.940 -1.716 1.00 0.00 C ATOM 535 C GLN A 35 -13.929 1.453 -3.151 1.00 0.00 C ATOM 536 O GLN A 35 -14.114 0.712 -4.114 1.00 0.00 O ATOM 537 CB GLN A 35 -15.194 1.707 -0.971 1.00 0.00 C ATOM 538 CG GLN A 35 -15.432 1.299 0.488 1.00 0.00 C ATOM 539 CD GLN A 35 -16.250 0.026 0.662 1.00 0.00 C ATOM 540 OE1 GLN A 35 -16.022 -0.978 -0.007 1.00 0.00 O ATOM 541 NE2 GLN A 35 -17.141 -0.016 1.634 1.00 0.00 N ATOM 0 H GLN A 35 -12.789 1.624 -0.218 1.00 0.00 H new ATOM 0 HA GLN A 35 -14.395 -0.105 -1.721 1.00 0.00 H new ATOM 0 HB2 GLN A 35 -14.953 2.770 -0.995 1.00 0.00 H new ATOM 0 HB3 GLN A 35 -16.127 1.579 -1.520 1.00 0.00 H new ATOM 0 HG2 GLN A 35 -14.467 1.165 0.977 1.00 0.00 H new ATOM 0 HG3 GLN A 35 -15.940 2.115 1.002 1.00 0.00 H new ATOM 0 HE21 GLN A 35 -17.330 0.819 2.189 1.00 0.00 H new ATOM 0 HE22 GLN A 35 -17.641 -0.883 1.830 1.00 0.00 H new ATOM 550 N ARG A 36 -13.566 2.729 -3.293 1.00 0.00 N ATOM 551 CA ARG A 36 -13.476 3.418 -4.579 1.00 0.00 C ATOM 552 C ARG A 36 -12.423 2.827 -5.516 1.00 0.00 C ATOM 553 O ARG A 36 -12.450 3.151 -6.698 1.00 0.00 O ATOM 554 CB ARG A 36 -13.192 4.900 -4.331 1.00 0.00 C ATOM 555 CG ARG A 36 -14.394 5.651 -3.747 1.00 0.00 C ATOM 556 CD ARG A 36 -13.933 6.995 -3.160 1.00 0.00 C ATOM 557 NE ARG A 36 -14.850 8.086 -3.513 1.00 0.00 N ATOM 558 CZ ARG A 36 -15.965 8.443 -2.868 1.00 0.00 C ATOM 559 NH1 ARG A 36 -16.320 7.928 -1.696 1.00 0.00 N ATOM 560 NH2 ARG A 36 -16.739 9.363 -3.422 1.00 0.00 N ATOM 0 H ARG A 36 -13.322 3.323 -2.501 1.00 0.00 H new ATOM 0 HA ARG A 36 -14.433 3.287 -5.084 1.00 0.00 H new ATOM 0 HB2 ARG A 36 -12.346 4.993 -3.649 1.00 0.00 H new ATOM 0 HB3 ARG A 36 -12.898 5.370 -5.270 1.00 0.00 H new ATOM 0 HG2 ARG A 36 -15.141 5.820 -4.523 1.00 0.00 H new ATOM 0 HG3 ARG A 36 -14.869 5.049 -2.972 1.00 0.00 H new ATOM 0 HD2 ARG A 36 -13.865 6.914 -2.075 1.00 0.00 H new ATOM 0 HD3 ARG A 36 -12.933 7.228 -3.526 1.00 0.00 H new ATOM 0 HE ARG A 36 -14.610 8.631 -4.341 1.00 0.00 H new ATOM 0 HH11 ARG A 36 -15.731 7.226 -1.248 1.00 0.00 H new ATOM 0 HH12 ARG A 36 -17.182 8.234 -1.244 1.00 0.00 H new ATOM 0 HH21 ARG A 36 -16.478 9.778 -4.316 1.00 0.00 H new ATOM 0 HH22 ARG A 36 -17.597 9.657 -2.955 1.00 0.00 H new ATOM 574 N PHE A 37 -11.509 1.985 -5.037 1.00 0.00 N ATOM 575 CA PHE A 37 -10.543 1.298 -5.874 1.00 0.00 C ATOM 576 C PHE A 37 -11.291 0.359 -6.808 1.00 0.00 C ATOM 577 O PHE A 37 -11.485 0.693 -7.968 1.00 0.00 O ATOM 578 CB PHE A 37 -9.541 0.540 -4.980 1.00 0.00 C ATOM 579 CG PHE A 37 -8.470 -0.266 -5.696 1.00 0.00 C ATOM 580 CD1 PHE A 37 -7.278 0.341 -6.134 1.00 0.00 C ATOM 581 CD2 PHE A 37 -8.655 -1.647 -5.894 1.00 0.00 C ATOM 582 CE1 PHE A 37 -6.298 -0.421 -6.794 1.00 0.00 C ATOM 583 CE2 PHE A 37 -7.690 -2.403 -6.579 1.00 0.00 C ATOM 584 CZ PHE A 37 -6.511 -1.789 -7.028 1.00 0.00 C ATOM 0 H PHE A 37 -11.422 1.762 -4.045 1.00 0.00 H new ATOM 0 HA PHE A 37 -9.977 2.006 -6.479 1.00 0.00 H new ATOM 0 HB2 PHE A 37 -9.047 1.263 -4.331 1.00 0.00 H new ATOM 0 HB3 PHE A 37 -10.102 -0.136 -4.335 1.00 0.00 H new ATOM 0 HD1 PHE A 37 -7.116 1.395 -5.963 1.00 0.00 H new ATOM 0 HD2 PHE A 37 -9.545 -2.129 -5.517 1.00 0.00 H new ATOM 0 HE1 PHE A 37 -5.381 0.046 -7.121 1.00 0.00 H new ATOM 0 HE2 PHE A 37 -7.855 -3.455 -6.760 1.00 0.00 H new ATOM 0 HZ PHE A 37 -5.767 -2.369 -7.554 1.00 0.00 H new ATOM 594 N CYS A 38 -11.766 -0.781 -6.302 1.00 0.00 N ATOM 595 CA CYS A 38 -12.464 -1.769 -7.114 1.00 0.00 C ATOM 596 C CYS A 38 -13.745 -1.190 -7.722 1.00 0.00 C ATOM 597 O CYS A 38 -14.118 -1.553 -8.842 1.00 0.00 O ATOM 598 CB CYS A 38 -12.780 -2.987 -6.243 1.00 0.00 C ATOM 599 SG CYS A 38 -11.453 -4.215 -6.381 1.00 0.00 S ATOM 0 H CYS A 38 -11.676 -1.041 -5.320 1.00 0.00 H new ATOM 0 HA CYS A 38 -11.823 -2.065 -7.944 1.00 0.00 H new ATOM 0 HB2 CYS A 38 -12.895 -2.680 -5.203 1.00 0.00 H new ATOM 0 HB3 CYS A 38 -13.728 -3.428 -6.552 1.00 0.00 H new ATOM 0 HG CYS A 38 -11.733 -5.242 -5.635 1.00 0.00 H new ATOM 605 N ALA A 39 -14.391 -0.266 -7.006 1.00 0.00 N ATOM 606 CA ALA A 39 -15.602 0.374 -7.459 1.00 0.00 C ATOM 607 C ALA A 39 -15.339 1.387 -8.578 1.00 0.00 C ATOM 608 O ALA A 39 -16.328 1.918 -9.087 1.00 0.00 O ATOM 609 CB ALA A 39 -16.316 1.028 -6.271 1.00 0.00 C ATOM 0 H ALA A 39 -14.076 0.053 -6.090 1.00 0.00 H new ATOM 0 HA ALA A 39 -16.250 -0.392 -7.885 1.00 0.00 H new ATOM 0 HB1 ALA A 39 -17.230 1.510 -6.617 1.00 0.00 H new ATOM 0 HB2 ALA A 39 -16.565 0.266 -5.532 1.00 0.00 H new ATOM 0 HB3 ALA A 39 -15.662 1.773 -5.818 1.00 0.00 H new ATOM 615 N ASP A 40 -14.080 1.667 -8.965 1.00 0.00 N ATOM 616 CA ASP A 40 -13.793 2.526 -10.113 1.00 0.00 C ATOM 617 C ASP A 40 -12.696 2.053 -11.070 1.00 0.00 C ATOM 618 O ASP A 40 -12.533 2.591 -12.164 1.00 0.00 O ATOM 619 CB ASP A 40 -13.468 3.945 -9.640 1.00 0.00 C ATOM 620 CG ASP A 40 -14.018 5.015 -10.594 1.00 0.00 C ATOM 621 OD1 ASP A 40 -14.766 4.696 -11.549 1.00 0.00 O ATOM 622 OD2 ASP A 40 -13.817 6.227 -10.341 1.00 0.00 O ATOM 0 H ASP A 40 -13.250 1.307 -8.494 1.00 0.00 H new ATOM 0 HA ASP A 40 -14.711 2.488 -10.700 1.00 0.00 H new ATOM 0 HB2 ASP A 40 -13.885 4.099 -8.645 1.00 0.00 H new ATOM 0 HB3 ASP A 40 -12.387 4.059 -9.554 1.00 0.00 H new ATOM 627 N SER A 41 -11.956 1.031 -10.676 1.00 0.00 N ATOM 628 CA SER A 41 -11.012 0.260 -11.465 1.00 0.00 C ATOM 629 C SER A 41 -11.029 -1.163 -10.921 1.00 0.00 C ATOM 630 O SER A 41 -10.473 -1.454 -9.859 1.00 0.00 O ATOM 631 CB SER A 41 -9.605 0.855 -11.394 1.00 0.00 C ATOM 632 OG SER A 41 -9.495 1.955 -12.273 1.00 0.00 O ATOM 0 H SER A 41 -12.005 0.691 -9.715 1.00 0.00 H new ATOM 0 HA SER A 41 -11.299 0.275 -12.516 1.00 0.00 H new ATOM 0 HB2 SER A 41 -9.388 1.172 -10.374 1.00 0.00 H new ATOM 0 HB3 SER A 41 -8.868 0.096 -11.656 1.00 0.00 H new ATOM 0 HG SER A 41 -10.384 2.334 -12.435 1.00 0.00 H new ATOM 638 N LYS A 42 -11.663 -2.079 -11.654 1.00 0.00 N ATOM 639 CA LYS A 42 -11.680 -3.511 -11.375 1.00 0.00 C ATOM 640 C LYS A 42 -10.327 -4.098 -11.777 1.00 0.00 C ATOM 641 O LYS A 42 -10.231 -4.938 -12.673 1.00 0.00 O ATOM 642 CB LYS A 42 -12.890 -4.178 -12.058 1.00 0.00 C ATOM 643 CG LYS A 42 -12.892 -4.036 -13.592 1.00 0.00 C ATOM 644 CD LYS A 42 -13.070 -5.375 -14.316 1.00 0.00 C ATOM 645 CE LYS A 42 -12.792 -5.220 -15.815 1.00 0.00 C ATOM 646 NZ LYS A 42 -12.849 -6.529 -16.497 1.00 0.00 N ATOM 0 H LYS A 42 -12.197 -1.833 -12.487 1.00 0.00 H new ATOM 0 HA LYS A 42 -11.812 -3.706 -10.311 1.00 0.00 H new ATOM 0 HB2 LYS A 42 -12.903 -5.237 -11.800 1.00 0.00 H new ATOM 0 HB3 LYS A 42 -13.806 -3.742 -11.660 1.00 0.00 H new ATOM 0 HG2 LYS A 42 -13.694 -3.360 -13.888 1.00 0.00 H new ATOM 0 HG3 LYS A 42 -11.955 -3.579 -13.910 1.00 0.00 H new ATOM 0 HD2 LYS A 42 -12.395 -6.117 -13.890 1.00 0.00 H new ATOM 0 HD3 LYS A 42 -14.085 -5.744 -14.165 1.00 0.00 H new ATOM 0 HE2 LYS A 42 -13.523 -4.543 -16.257 1.00 0.00 H new ATOM 0 HE3 LYS A 42 -11.810 -4.770 -15.963 1.00 0.00 H new ATOM 0 HZ1 LYS A 42 -12.658 -6.401 -17.511 1.00 0.00 H new ATOM 0 HZ2 LYS A 42 -12.135 -7.165 -16.088 1.00 0.00 H new ATOM 0 HZ3 LYS A 42 -13.794 -6.944 -16.373 1.00 0.00 H new ATOM 660 N HIS A 43 -9.269 -3.596 -11.157 1.00 0.00 N ATOM 661 CA HIS A 43 -7.893 -3.995 -11.351 1.00 0.00 C ATOM 662 C HIS A 43 -7.801 -5.512 -11.193 1.00 0.00 C ATOM 663 O HIS A 43 -8.548 -6.121 -10.417 1.00 0.00 O ATOM 664 CB HIS A 43 -7.029 -3.264 -10.310 1.00 0.00 C ATOM 665 CG HIS A 43 -5.722 -2.741 -10.842 1.00 0.00 C ATOM 666 ND1 HIS A 43 -5.382 -1.409 -10.935 1.00 0.00 N ATOM 667 CD2 HIS A 43 -4.642 -3.479 -11.246 1.00 0.00 C ATOM 668 CE1 HIS A 43 -4.123 -1.336 -11.391 1.00 0.00 C ATOM 669 NE2 HIS A 43 -3.623 -2.573 -11.564 1.00 0.00 N ATOM 0 H HIS A 43 -9.360 -2.854 -10.463 1.00 0.00 H new ATOM 0 HA HIS A 43 -7.534 -3.732 -12.346 1.00 0.00 H new ATOM 0 HB2 HIS A 43 -7.601 -2.430 -9.902 1.00 0.00 H new ATOM 0 HB3 HIS A 43 -6.824 -3.945 -9.483 1.00 0.00 H new ATOM 0 HD2 HIS A 43 -4.587 -4.556 -11.308 1.00 0.00 H new ATOM 0 HE1 HIS A 43 -3.589 -0.419 -11.590 1.00 0.00 H new ATOM 0 HE2 HIS A 43 -2.678 -2.807 -11.870 1.00 0.00 H new ATOM 677 N LEU A 44 -6.881 -6.132 -11.920 1.00 0.00 N ATOM 678 CA LEU A 44 -6.579 -7.543 -11.791 1.00 0.00 C ATOM 679 C LEU A 44 -6.092 -7.749 -10.356 1.00 0.00 C ATOM 680 O LEU A 44 -5.214 -7.002 -9.918 1.00 0.00 O ATOM 681 CB LEU A 44 -5.536 -7.911 -12.850 1.00 0.00 C ATOM 682 CG LEU A 44 -5.635 -9.375 -13.297 1.00 0.00 C ATOM 683 CD1 LEU A 44 -4.878 -9.595 -14.600 1.00 0.00 C ATOM 684 CD2 LEU A 44 -5.021 -10.267 -12.244 1.00 0.00 C ATOM 0 H LEU A 44 -6.317 -5.657 -12.625 1.00 0.00 H new ATOM 0 HA LEU A 44 -7.437 -8.193 -11.962 1.00 0.00 H new ATOM 0 HB2 LEU A 44 -5.660 -7.262 -13.717 1.00 0.00 H new ATOM 0 HB3 LEU A 44 -4.539 -7.724 -12.452 1.00 0.00 H new ATOM 0 HG LEU A 44 -6.689 -9.614 -13.442 1.00 0.00 H new ATOM 0 HD11 LEU A 44 -4.962 -10.640 -14.898 1.00 0.00 H new ATOM 0 HD12 LEU A 44 -5.302 -8.961 -15.379 1.00 0.00 H new ATOM 0 HD13 LEU A 44 -3.827 -9.342 -14.458 1.00 0.00 H new ATOM 0 HD21 LEU A 44 -5.092 -11.307 -12.562 1.00 0.00 H new ATOM 0 HD22 LEU A 44 -3.973 -10.000 -12.107 1.00 0.00 H new ATOM 0 HD23 LEU A 44 -5.555 -10.139 -11.302 1.00 0.00 H new ATOM 696 N LEU A 45 -6.665 -8.693 -9.605 1.00 0.00 N ATOM 697 CA LEU A 45 -6.266 -8.997 -8.227 1.00 0.00 C ATOM 698 C LEU A 45 -5.682 -10.406 -8.216 1.00 0.00 C ATOM 699 O LEU A 45 -6.218 -11.282 -8.905 1.00 0.00 O ATOM 700 CB LEU A 45 -7.464 -8.900 -7.260 1.00 0.00 C ATOM 701 CG LEU A 45 -8.022 -7.473 -7.071 1.00 0.00 C ATOM 702 CD1 LEU A 45 -9.461 -7.511 -6.550 1.00 0.00 C ATOM 703 CD2 LEU A 45 -7.215 -6.633 -6.079 1.00 0.00 C ATOM 0 H LEU A 45 -7.431 -9.277 -9.942 1.00 0.00 H new ATOM 0 HA LEU A 45 -5.527 -8.271 -7.888 1.00 0.00 H new ATOM 0 HB2 LEU A 45 -8.264 -9.543 -7.627 1.00 0.00 H new ATOM 0 HB3 LEU A 45 -7.162 -9.290 -6.288 1.00 0.00 H new ATOM 0 HG LEU A 45 -7.964 -7.017 -8.059 1.00 0.00 H new ATOM 0 HD11 LEU A 45 -9.830 -6.493 -6.426 1.00 0.00 H new ATOM 0 HD12 LEU A 45 -10.092 -8.041 -7.263 1.00 0.00 H new ATOM 0 HD13 LEU A 45 -9.487 -8.026 -5.590 1.00 0.00 H new ATOM 0 HD21 LEU A 45 -7.661 -5.642 -5.994 1.00 0.00 H new ATOM 0 HD22 LEU A 45 -7.220 -7.118 -5.103 1.00 0.00 H new ATOM 0 HD23 LEU A 45 -6.188 -6.539 -6.433 1.00 0.00 H new ATOM 715 N GLN A 46 -4.580 -10.636 -7.503 1.00 0.00 N ATOM 716 CA GLN A 46 -3.768 -11.848 -7.610 1.00 0.00 C ATOM 717 C GLN A 46 -3.217 -12.264 -6.256 1.00 0.00 C ATOM 718 O GLN A 46 -2.929 -11.431 -5.392 1.00 0.00 O ATOM 719 CB GLN A 46 -2.568 -11.617 -8.542 1.00 0.00 C ATOM 720 CG GLN A 46 -3.018 -11.207 -9.942 1.00 0.00 C ATOM 721 CD GLN A 46 -1.869 -10.905 -10.890 1.00 0.00 C ATOM 722 OE1 GLN A 46 -1.788 -11.453 -11.983 1.00 0.00 O ATOM 723 NE2 GLN A 46 -1.015 -9.955 -10.541 1.00 0.00 N ATOM 0 H GLN A 46 -4.219 -9.970 -6.820 1.00 0.00 H new ATOM 0 HA GLN A 46 -4.419 -12.628 -8.006 1.00 0.00 H new ATOM 0 HB2 GLN A 46 -1.925 -10.842 -8.124 1.00 0.00 H new ATOM 0 HB3 GLN A 46 -1.972 -12.528 -8.602 1.00 0.00 H new ATOM 0 HG2 GLN A 46 -3.627 -12.005 -10.366 1.00 0.00 H new ATOM 0 HG3 GLN A 46 -3.655 -10.326 -9.866 1.00 0.00 H new ATOM 0 HE21 GLN A 46 -1.095 -9.508 -9.628 1.00 0.00 H new ATOM 0 HE22 GLN A 46 -0.277 -9.670 -11.185 1.00 0.00 H new ATOM 732 N TYR A 47 -2.996 -13.567 -6.108 1.00 0.00 N ATOM 733 CA TYR A 47 -2.253 -14.107 -4.986 1.00 0.00 C ATOM 734 C TYR A 47 -0.847 -13.567 -5.100 1.00 0.00 C ATOM 735 O TYR A 47 -0.161 -13.827 -6.095 1.00 0.00 O ATOM 736 CB TYR A 47 -2.250 -15.633 -4.996 1.00 0.00 C ATOM 737 CG TYR A 47 -3.610 -16.251 -5.261 1.00 0.00 C ATOM 738 CD1 TYR A 47 -4.751 -15.721 -4.634 1.00 0.00 C ATOM 739 CD2 TYR A 47 -3.745 -17.343 -6.139 1.00 0.00 C ATOM 740 CE1 TYR A 47 -6.022 -16.261 -4.881 1.00 0.00 C ATOM 741 CE2 TYR A 47 -5.014 -17.904 -6.373 1.00 0.00 C ATOM 742 CZ TYR A 47 -6.165 -17.348 -5.769 1.00 0.00 C ATOM 743 OH TYR A 47 -7.396 -17.884 -5.986 1.00 0.00 O ATOM 0 H TYR A 47 -3.329 -14.273 -6.764 1.00 0.00 H new ATOM 0 HA TYR A 47 -2.715 -13.810 -4.045 1.00 0.00 H new ATOM 0 HB2 TYR A 47 -1.550 -15.980 -5.756 1.00 0.00 H new ATOM 0 HB3 TYR A 47 -1.880 -15.992 -4.035 1.00 0.00 H new ATOM 0 HD1 TYR A 47 -4.648 -14.888 -3.954 1.00 0.00 H new ATOM 0 HD2 TYR A 47 -2.875 -17.750 -6.633 1.00 0.00 H new ATOM 0 HE1 TYR A 47 -6.890 -15.845 -4.392 1.00 0.00 H new ATOM 0 HE2 TYR A 47 -5.109 -18.765 -7.018 1.00 0.00 H new ATOM 0 HH TYR A 47 -7.323 -18.624 -6.624 1.00 0.00 H new ATOM 753 N GLY A 48 -0.451 -12.768 -4.117 1.00 0.00 N ATOM 754 CA GLY A 48 0.813 -12.065 -4.175 1.00 0.00 C ATOM 755 C GLY A 48 0.657 -10.546 -4.141 1.00 0.00 C ATOM 756 O GLY A 48 1.663 -9.849 -4.211 1.00 0.00 O ATOM 0 H GLY A 48 -0.992 -12.594 -3.270 1.00 0.00 H new ATOM 0 HA2 GLY A 48 1.435 -12.379 -3.337 1.00 0.00 H new ATOM 0 HA3 GLY A 48 1.339 -12.350 -5.086 1.00 0.00 H new ATOM 760 N ASP A 49 -0.569 -10.016 -4.068 1.00 0.00 N ATOM 761 CA ASP A 49 -0.855 -8.601 -4.348 1.00 0.00 C ATOM 762 C ASP A 49 -0.234 -7.596 -3.377 1.00 0.00 C ATOM 763 O ASP A 49 -0.110 -6.437 -3.751 1.00 0.00 O ATOM 764 CB ASP A 49 -2.376 -8.366 -4.385 1.00 0.00 C ATOM 765 CG ASP A 49 -2.974 -8.432 -5.783 1.00 0.00 C ATOM 766 OD1 ASP A 49 -2.240 -8.629 -6.775 1.00 0.00 O ATOM 767 OD2 ASP A 49 -4.207 -8.270 -5.893 1.00 0.00 O ATOM 0 H ASP A 49 -1.395 -10.557 -3.812 1.00 0.00 H new ATOM 0 HA ASP A 49 -0.387 -8.417 -5.315 1.00 0.00 H new ATOM 0 HB2 ASP A 49 -2.865 -9.110 -3.756 1.00 0.00 H new ATOM 0 HB3 ASP A 49 -2.594 -7.390 -3.952 1.00 0.00 H new ATOM 772 N LYS A 50 0.132 -8.047 -2.170 1.00 0.00 N ATOM 773 CA LYS A 50 0.769 -7.368 -1.029 1.00 0.00 C ATOM 774 C LYS A 50 0.231 -5.993 -0.645 1.00 0.00 C ATOM 775 O LYS A 50 0.089 -5.081 -1.453 1.00 0.00 O ATOM 776 CB LYS A 50 2.283 -7.282 -1.199 1.00 0.00 C ATOM 777 CG LYS A 50 3.078 -6.688 -0.013 1.00 0.00 C ATOM 778 CD LYS A 50 4.516 -7.209 0.014 1.00 0.00 C ATOM 779 CE LYS A 50 4.576 -8.569 0.726 1.00 0.00 C ATOM 780 NZ LYS A 50 5.761 -9.347 0.321 1.00 0.00 N ATOM 0 H LYS A 50 -0.033 -9.027 -1.939 1.00 0.00 H new ATOM 0 HA LYS A 50 0.498 -8.019 -0.198 1.00 0.00 H new ATOM 0 HB2 LYS A 50 2.662 -8.285 -1.395 1.00 0.00 H new ATOM 0 HB3 LYS A 50 2.493 -6.683 -2.085 1.00 0.00 H new ATOM 0 HG2 LYS A 50 3.085 -5.601 -0.086 1.00 0.00 H new ATOM 0 HG3 LYS A 50 2.580 -6.941 0.923 1.00 0.00 H new ATOM 0 HD2 LYS A 50 4.894 -7.306 -1.004 1.00 0.00 H new ATOM 0 HD3 LYS A 50 5.160 -6.494 0.526 1.00 0.00 H new ATOM 0 HE2 LYS A 50 4.594 -8.414 1.805 1.00 0.00 H new ATOM 0 HE3 LYS A 50 3.674 -9.137 0.501 1.00 0.00 H new ATOM 0 HZ1 LYS A 50 5.766 -10.258 0.823 1.00 0.00 H new ATOM 0 HZ2 LYS A 50 5.731 -9.517 -0.705 1.00 0.00 H new ATOM 0 HZ3 LYS A 50 6.623 -8.816 0.559 1.00 0.00 H new ATOM 794 N LEU A 51 0.087 -5.796 0.659 1.00 0.00 N ATOM 795 CA LEU A 51 -0.154 -4.500 1.252 1.00 0.00 C ATOM 796 C LEU A 51 0.900 -4.229 2.325 1.00 0.00 C ATOM 797 O LEU A 51 1.508 -5.164 2.849 1.00 0.00 O ATOM 798 CB LEU A 51 -1.577 -4.509 1.861 1.00 0.00 C ATOM 799 CG LEU A 51 -2.714 -4.243 0.859 1.00 0.00 C ATOM 800 CD1 LEU A 51 -4.032 -4.797 1.406 1.00 0.00 C ATOM 801 CD2 LEU A 51 -2.905 -2.746 0.605 1.00 0.00 C ATOM 0 H LEU A 51 0.137 -6.552 1.342 1.00 0.00 H new ATOM 0 HA LEU A 51 -0.085 -3.709 0.505 1.00 0.00 H new ATOM 0 HB2 LEU A 51 -1.748 -5.476 2.333 1.00 0.00 H new ATOM 0 HB3 LEU A 51 -1.624 -3.757 2.649 1.00 0.00 H new ATOM 0 HG LEU A 51 -2.440 -4.734 -0.075 1.00 0.00 H new ATOM 0 HD11 LEU A 51 -4.832 -4.605 0.691 1.00 0.00 H new ATOM 0 HD12 LEU A 51 -3.937 -5.871 1.564 1.00 0.00 H new ATOM 0 HD13 LEU A 51 -4.266 -4.310 2.353 1.00 0.00 H new ATOM 0 HD21 LEU A 51 -3.716 -2.598 -0.108 1.00 0.00 H new ATOM 0 HD22 LEU A 51 -3.150 -2.246 1.542 1.00 0.00 H new ATOM 0 HD23 LEU A 51 -1.985 -2.325 0.199 1.00 0.00 H new ATOM 813 N VAL A 52 1.056 -2.964 2.704 1.00 0.00 N ATOM 814 CA VAL A 52 1.637 -2.502 3.963 1.00 0.00 C ATOM 815 C VAL A 52 0.667 -1.446 4.499 1.00 0.00 C ATOM 816 O VAL A 52 -0.019 -0.794 3.708 1.00 0.00 O ATOM 817 CB VAL A 52 3.059 -1.933 3.737 1.00 0.00 C ATOM 818 CG1 VAL A 52 3.695 -1.393 5.029 1.00 0.00 C ATOM 819 CG2 VAL A 52 4.015 -2.999 3.194 1.00 0.00 C ATOM 0 H VAL A 52 0.764 -2.189 2.108 1.00 0.00 H new ATOM 0 HA VAL A 52 1.760 -3.312 4.682 1.00 0.00 H new ATOM 0 HB VAL A 52 2.923 -1.124 3.020 1.00 0.00 H new ATOM 0 HG11 VAL A 52 4.691 -1.007 4.811 1.00 0.00 H new ATOM 0 HG12 VAL A 52 3.076 -0.592 5.432 1.00 0.00 H new ATOM 0 HG13 VAL A 52 3.770 -2.197 5.761 1.00 0.00 H new ATOM 0 HG21 VAL A 52 5.003 -2.562 3.048 1.00 0.00 H new ATOM 0 HG22 VAL A 52 4.084 -3.822 3.905 1.00 0.00 H new ATOM 0 HG23 VAL A 52 3.640 -3.373 2.241 1.00 0.00 H new ATOM 829 N ASP A 53 0.599 -1.266 5.815 1.00 0.00 N ATOM 830 CA ASP A 53 -0.244 -0.302 6.509 1.00 0.00 C ATOM 831 C ASP A 53 0.593 0.587 7.434 1.00 0.00 C ATOM 832 O ASP A 53 1.814 0.432 7.526 1.00 0.00 O ATOM 833 CB ASP A 53 -1.306 -1.073 7.298 1.00 0.00 C ATOM 834 CG ASP A 53 -0.784 -1.671 8.608 1.00 0.00 C ATOM 835 OD1 ASP A 53 0.430 -1.934 8.737 1.00 0.00 O ATOM 836 OD2 ASP A 53 -1.618 -1.859 9.514 1.00 0.00 O ATOM 0 H ASP A 53 1.162 -1.820 6.460 1.00 0.00 H new ATOM 0 HA ASP A 53 -0.729 0.355 5.787 1.00 0.00 H new ATOM 0 HB2 ASP A 53 -2.138 -0.405 7.520 1.00 0.00 H new ATOM 0 HB3 ASP A 53 -1.699 -1.875 6.674 1.00 0.00 H new ATOM 841 N SER A 54 -0.055 1.512 8.143 1.00 0.00 N ATOM 842 CA SER A 54 0.607 2.413 9.085 1.00 0.00 C ATOM 843 C SER A 54 1.238 1.705 10.294 1.00 0.00 C ATOM 844 O SER A 54 2.089 2.302 10.961 1.00 0.00 O ATOM 845 CB SER A 54 -0.402 3.455 9.571 1.00 0.00 C ATOM 846 OG SER A 54 -0.520 4.504 8.626 1.00 0.00 O ATOM 0 H SER A 54 -1.063 1.658 8.079 1.00 0.00 H new ATOM 0 HA SER A 54 1.431 2.878 8.544 1.00 0.00 H new ATOM 0 HB2 SER A 54 -1.373 2.986 9.726 1.00 0.00 H new ATOM 0 HB3 SER A 54 -0.085 3.857 10.533 1.00 0.00 H new ATOM 0 HG SER A 54 -0.588 5.361 9.096 1.00 0.00 H new ATOM 852 N ASN A 55 0.864 0.456 10.590 1.00 0.00 N ATOM 853 CA ASN A 55 1.548 -0.352 11.599 1.00 0.00 C ATOM 854 C ASN A 55 2.871 -0.913 11.081 1.00 0.00 C ATOM 855 O ASN A 55 3.619 -1.471 11.888 1.00 0.00 O ATOM 856 CB ASN A 55 0.721 -1.567 12.021 1.00 0.00 C ATOM 857 CG ASN A 55 -0.539 -1.255 12.782 1.00 0.00 C ATOM 858 OD1 ASN A 55 -1.675 -1.655 12.259 1.00 0.00 O flip ATOM 859 ND2 ASN A 55 -0.508 -0.738 13.892 1.00 0.00 N flip ATOM 0 H ASN A 55 0.083 -0.019 10.138 1.00 0.00 H new ATOM 0 HA ASN A 55 1.707 0.326 12.437 1.00 0.00 H new ATOM 0 HB2 ASN A 55 0.456 -2.133 11.128 1.00 0.00 H new ATOM 0 HB3 ASN A 55 1.346 -2.215 12.635 1.00 0.00 H new ATOM 0 HD21 ASN A 55 0.381 -0.432 14.287 1.00 0.00 H new ATOM 0 HD22 ASN A 55 -1.371 -0.614 14.421 1.00 0.00 H new ATOM 866 N PHE A 56 3.152 -0.814 9.775 1.00 0.00 N ATOM 867 CA PHE A 56 4.231 -1.514 9.080 1.00 0.00 C ATOM 868 C PHE A 56 4.018 -3.027 9.087 1.00 0.00 C ATOM 869 O PHE A 56 4.968 -3.791 8.908 1.00 0.00 O ATOM 870 CB PHE A 56 5.600 -1.091 9.633 1.00 0.00 C ATOM 871 CG PHE A 56 5.838 0.396 9.546 1.00 0.00 C ATOM 872 CD1 PHE A 56 6.277 0.930 8.329 1.00 0.00 C ATOM 873 CD2 PHE A 56 5.608 1.244 10.642 1.00 0.00 C ATOM 874 CE1 PHE A 56 6.543 2.304 8.204 1.00 0.00 C ATOM 875 CE2 PHE A 56 5.858 2.621 10.515 1.00 0.00 C ATOM 876 CZ PHE A 56 6.349 3.147 9.307 1.00 0.00 C ATOM 0 H PHE A 56 2.608 -0.218 9.151 1.00 0.00 H new ATOM 0 HA PHE A 56 4.214 -1.219 8.031 1.00 0.00 H new ATOM 0 HB2 PHE A 56 5.678 -1.405 10.674 1.00 0.00 H new ATOM 0 HB3 PHE A 56 6.384 -1.611 9.083 1.00 0.00 H new ATOM 0 HD1 PHE A 56 6.413 0.280 7.478 1.00 0.00 H new ATOM 0 HD2 PHE A 56 5.242 0.841 11.575 1.00 0.00 H new ATOM 0 HE1 PHE A 56 6.894 2.707 7.266 1.00 0.00 H new ATOM 0 HE2 PHE A 56 5.672 3.279 11.351 1.00 0.00 H new ATOM 0 HZ PHE A 56 6.577 4.200 9.229 1.00 0.00 H new ATOM 886 N HIS A 57 2.780 -3.478 9.281 1.00 0.00 N ATOM 887 CA HIS A 57 2.403 -4.853 9.051 1.00 0.00 C ATOM 888 C HIS A 57 2.333 -5.034 7.538 1.00 0.00 C ATOM 889 O HIS A 57 1.464 -4.466 6.874 1.00 0.00 O ATOM 890 CB HIS A 57 1.064 -5.147 9.736 1.00 0.00 C ATOM 891 CG HIS A 57 1.039 -4.973 11.236 1.00 0.00 C ATOM 892 ND1 HIS A 57 -0.093 -4.797 12.007 1.00 0.00 N ATOM 893 CD2 HIS A 57 2.121 -4.962 12.075 1.00 0.00 C ATOM 894 CE1 HIS A 57 0.304 -4.709 13.290 1.00 0.00 C ATOM 895 NE2 HIS A 57 1.647 -4.781 13.377 1.00 0.00 N ATOM 0 H HIS A 57 2.013 -2.889 9.604 1.00 0.00 H new ATOM 0 HA HIS A 57 3.123 -5.554 9.473 1.00 0.00 H new ATOM 0 HB2 HIS A 57 0.305 -4.497 9.301 1.00 0.00 H new ATOM 0 HB3 HIS A 57 0.776 -6.172 9.504 1.00 0.00 H new ATOM 0 HD1 HIS A 57 -1.053 -4.744 11.667 1.00 0.00 H new ATOM 0 HD2 HIS A 57 3.155 -5.073 11.783 1.00 0.00 H new ATOM 0 HE1 HIS A 57 -0.362 -4.596 14.133 1.00 0.00 H new ATOM 903 N CYS A 58 3.269 -5.792 6.961 1.00 0.00 N ATOM 904 CA CYS A 58 3.086 -6.251 5.596 1.00 0.00 C ATOM 905 C CYS A 58 1.994 -7.322 5.599 1.00 0.00 C ATOM 906 O CYS A 58 1.848 -8.077 6.566 1.00 0.00 O ATOM 907 CB CYS A 58 4.378 -6.828 5.015 1.00 0.00 C ATOM 908 SG CYS A 58 5.769 -5.678 5.111 1.00 0.00 S ATOM 0 H CYS A 58 4.136 -6.090 7.408 1.00 0.00 H new ATOM 0 HA CYS A 58 2.801 -5.405 4.971 1.00 0.00 H new ATOM 0 HB2 CYS A 58 4.633 -7.744 5.549 1.00 0.00 H new ATOM 0 HB3 CYS A 58 4.211 -7.102 3.973 1.00 0.00 H new ATOM 0 HG CYS A 58 6.828 -6.235 4.603 1.00 0.00 H new ATOM 914 N PHE A 59 1.286 -7.452 4.486 1.00 0.00 N ATOM 915 CA PHE A 59 0.201 -8.395 4.256 1.00 0.00 C ATOM 916 C PHE A 59 0.285 -8.868 2.814 1.00 0.00 C ATOM 917 O PHE A 59 0.876 -8.160 2.009 1.00 0.00 O ATOM 918 CB PHE A 59 -1.121 -7.651 4.470 1.00 0.00 C ATOM 919 CG PHE A 59 -1.348 -7.189 5.890 1.00 0.00 C ATOM 920 CD1 PHE A 59 -1.363 -8.126 6.937 1.00 0.00 C ATOM 921 CD2 PHE A 59 -1.446 -5.817 6.174 1.00 0.00 C ATOM 922 CE1 PHE A 59 -1.524 -7.703 8.266 1.00 0.00 C ATOM 923 CE2 PHE A 59 -1.594 -5.389 7.500 1.00 0.00 C ATOM 924 CZ PHE A 59 -1.651 -6.330 8.539 1.00 0.00 C ATOM 0 H PHE A 59 1.465 -6.866 3.670 1.00 0.00 H new ATOM 0 HA PHE A 59 0.266 -9.248 4.931 1.00 0.00 H new ATOM 0 HB2 PHE A 59 -1.149 -6.785 3.809 1.00 0.00 H new ATOM 0 HB3 PHE A 59 -1.944 -8.303 4.176 1.00 0.00 H new ATOM 0 HD1 PHE A 59 -1.250 -9.178 6.718 1.00 0.00 H new ATOM 0 HD2 PHE A 59 -1.407 -5.094 5.373 1.00 0.00 H new ATOM 0 HE1 PHE A 59 -1.550 -8.424 9.069 1.00 0.00 H new ATOM 0 HE2 PHE A 59 -1.664 -4.334 7.722 1.00 0.00 H new ATOM 0 HZ PHE A 59 -1.794 -5.997 9.556 1.00 0.00 H new ATOM 934 N VAL A 60 -0.318 -9.991 2.430 1.00 0.00 N ATOM 935 CA VAL A 60 -0.478 -10.407 1.040 1.00 0.00 C ATOM 936 C VAL A 60 -1.672 -11.336 0.873 1.00 0.00 C ATOM 937 O VAL A 60 -2.044 -12.001 1.829 1.00 0.00 O ATOM 938 CB VAL A 60 0.844 -10.995 0.543 1.00 0.00 C ATOM 939 CG1 VAL A 60 1.544 -11.995 1.443 1.00 0.00 C ATOM 940 CG2 VAL A 60 0.749 -11.632 -0.841 1.00 0.00 C ATOM 0 H VAL A 60 -0.719 -10.653 3.094 1.00 0.00 H new ATOM 0 HA VAL A 60 -0.708 -9.546 0.412 1.00 0.00 H new ATOM 0 HB VAL A 60 1.452 -10.090 0.528 1.00 0.00 H new ATOM 0 HG11 VAL A 60 2.466 -12.329 0.968 1.00 0.00 H new ATOM 0 HG12 VAL A 60 1.778 -11.524 2.398 1.00 0.00 H new ATOM 0 HG13 VAL A 60 0.892 -12.852 1.611 1.00 0.00 H new ATOM 0 HG21 VAL A 60 1.724 -12.027 -1.127 1.00 0.00 H new ATOM 0 HG22 VAL A 60 0.021 -12.443 -0.819 1.00 0.00 H new ATOM 0 HG23 VAL A 60 0.435 -10.881 -1.566 1.00 0.00 H new ATOM 950 N LEU A 61 -2.267 -11.333 -0.323 1.00 0.00 N ATOM 951 CA LEU A 61 -3.430 -12.133 -0.690 1.00 0.00 C ATOM 952 C LEU A 61 -2.962 -13.558 -0.960 1.00 0.00 C ATOM 953 O LEU A 61 -1.884 -13.754 -1.531 1.00 0.00 O ATOM 954 CB LEU A 61 -4.084 -11.549 -1.956 1.00 0.00 C ATOM 955 CG LEU A 61 -5.415 -12.248 -2.333 1.00 0.00 C ATOM 956 CD1 LEU A 61 -6.566 -11.790 -1.438 1.00 0.00 C ATOM 957 CD2 LEU A 61 -5.795 -11.999 -3.791 1.00 0.00 C ATOM 0 H LEU A 61 -1.935 -10.748 -1.090 1.00 0.00 H new ATOM 0 HA LEU A 61 -4.163 -12.125 0.116 1.00 0.00 H new ATOM 0 HB2 LEU A 61 -4.270 -10.486 -1.804 1.00 0.00 H new ATOM 0 HB3 LEU A 61 -3.387 -11.635 -2.790 1.00 0.00 H new ATOM 0 HG LEU A 61 -5.248 -13.315 -2.186 1.00 0.00 H new ATOM 0 HD11 LEU A 61 -7.482 -12.302 -1.733 1.00 0.00 H new ATOM 0 HD12 LEU A 61 -6.336 -12.027 -0.399 1.00 0.00 H new ATOM 0 HD13 LEU A 61 -6.702 -10.714 -1.543 1.00 0.00 H new ATOM 0 HD21 LEU A 61 -6.734 -12.506 -4.014 1.00 0.00 H new ATOM 0 HD22 LEU A 61 -5.912 -10.928 -3.959 1.00 0.00 H new ATOM 0 HD23 LEU A 61 -5.011 -12.384 -4.442 1.00 0.00 H new ATOM 969 N GLU A 62 -3.781 -14.533 -0.594 1.00 0.00 N ATOM 970 CA GLU A 62 -3.468 -15.953 -0.615 1.00 0.00 C ATOM 971 C GLU A 62 -4.450 -16.693 -1.523 1.00 0.00 C ATOM 972 O GLU A 62 -5.490 -16.134 -1.854 1.00 0.00 O ATOM 973 CB GLU A 62 -3.554 -16.459 0.803 1.00 0.00 C ATOM 974 CG GLU A 62 -2.349 -15.913 1.579 1.00 0.00 C ATOM 975 CD GLU A 62 -1.095 -16.793 1.500 1.00 0.00 C ATOM 976 OE1 GLU A 62 -1.219 -18.029 1.672 1.00 0.00 O ATOM 977 OE2 GLU A 62 0.004 -16.226 1.284 1.00 0.00 O ATOM 0 H GLU A 62 -4.726 -14.346 -0.259 1.00 0.00 H new ATOM 0 HA GLU A 62 -2.467 -16.125 -1.010 1.00 0.00 H new ATOM 0 HB2 GLU A 62 -4.485 -16.133 1.267 1.00 0.00 H new ATOM 0 HB3 GLU A 62 -3.554 -17.549 0.819 1.00 0.00 H new ATOM 0 HG2 GLU A 62 -2.107 -14.921 1.199 1.00 0.00 H new ATOM 0 HG3 GLU A 62 -2.629 -15.794 2.626 1.00 0.00 H new ATOM 984 N GLU A 63 -4.184 -17.956 -1.859 1.00 0.00 N ATOM 985 CA GLU A 63 -5.037 -18.809 -2.691 1.00 0.00 C ATOM 986 C GLU A 63 -6.419 -18.978 -2.059 1.00 0.00 C ATOM 987 O GLU A 63 -7.428 -19.084 -2.756 1.00 0.00 O ATOM 988 CB GLU A 63 -4.394 -20.189 -2.923 1.00 0.00 C ATOM 989 CG GLU A 63 -3.081 -20.110 -3.715 1.00 0.00 C ATOM 990 CD GLU A 63 -2.451 -21.485 -3.952 1.00 0.00 C ATOM 991 OE1 GLU A 63 -2.880 -22.214 -4.868 1.00 0.00 O ATOM 992 OE2 GLU A 63 -1.467 -21.834 -3.260 1.00 0.00 O ATOM 0 H GLU A 63 -3.337 -18.432 -1.548 1.00 0.00 H new ATOM 0 HA GLU A 63 -5.148 -18.315 -3.656 1.00 0.00 H new ATOM 0 HB2 GLU A 63 -4.204 -20.662 -1.960 1.00 0.00 H new ATOM 0 HB3 GLU A 63 -5.098 -20.827 -3.458 1.00 0.00 H new ATOM 0 HG2 GLU A 63 -3.269 -19.631 -4.676 1.00 0.00 H new ATOM 0 HG3 GLU A 63 -2.374 -19.479 -3.177 1.00 0.00 H new ATOM 999 N ASP A 64 -6.484 -18.950 -0.724 1.00 0.00 N ATOM 1000 CA ASP A 64 -7.739 -18.992 0.027 1.00 0.00 C ATOM 1001 C ASP A 64 -8.478 -17.653 0.006 1.00 0.00 C ATOM 1002 O ASP A 64 -9.537 -17.506 0.618 1.00 0.00 O ATOM 1003 CB ASP A 64 -7.511 -19.522 1.445 1.00 0.00 C ATOM 1004 CG ASP A 64 -7.922 -20.984 1.444 1.00 0.00 C ATOM 1005 OD1 ASP A 64 -9.137 -21.269 1.513 1.00 0.00 O ATOM 1006 OD2 ASP A 64 -7.033 -21.843 1.241 1.00 0.00 O ATOM 0 H ASP A 64 -5.657 -18.897 -0.130 1.00 0.00 H new ATOM 0 HA ASP A 64 -8.400 -19.697 -0.477 1.00 0.00 H new ATOM 0 HB2 ASP A 64 -6.465 -19.416 1.733 1.00 0.00 H new ATOM 0 HB3 ASP A 64 -8.100 -18.956 2.167 1.00 0.00 H new ATOM 1011 N ALA A 65 -7.935 -16.672 -0.718 1.00 0.00 N ATOM 1012 CA ALA A 65 -8.441 -15.332 -0.966 1.00 0.00 C ATOM 1013 C ALA A 65 -8.738 -14.538 0.311 1.00 0.00 C ATOM 1014 O ALA A 65 -9.471 -13.543 0.282 1.00 0.00 O ATOM 1015 CB ALA A 65 -9.602 -15.415 -1.949 1.00 0.00 C ATOM 0 H ALA A 65 -7.042 -16.817 -1.189 1.00 0.00 H new ATOM 0 HA ALA A 65 -7.654 -14.738 -1.430 1.00 0.00 H new ATOM 0 HB1 ALA A 65 -9.988 -14.414 -2.141 1.00 0.00 H new ATOM 0 HB2 ALA A 65 -9.256 -15.856 -2.884 1.00 0.00 H new ATOM 0 HB3 ALA A 65 -10.393 -16.034 -1.526 1.00 0.00 H new ATOM 1021 N HIS A 66 -8.163 -14.972 1.429 1.00 0.00 N ATOM 1022 CA HIS A 66 -7.872 -14.144 2.580 1.00 0.00 C ATOM 1023 C HIS A 66 -6.527 -13.456 2.356 1.00 0.00 C ATOM 1024 O HIS A 66 -5.869 -13.682 1.337 1.00 0.00 O ATOM 1025 CB HIS A 66 -7.916 -15.005 3.849 1.00 0.00 C ATOM 1026 CG HIS A 66 -6.908 -16.131 3.923 1.00 0.00 C ATOM 1027 ND1 HIS A 66 -7.163 -17.405 4.385 1.00 0.00 N ATOM 1028 CD2 HIS A 66 -5.579 -16.075 3.591 1.00 0.00 C ATOM 1029 CE1 HIS A 66 -6.022 -18.106 4.305 1.00 0.00 C ATOM 1030 NE2 HIS A 66 -5.033 -17.335 3.829 1.00 0.00 N ATOM 0 H HIS A 66 -7.880 -15.944 1.556 1.00 0.00 H new ATOM 0 HA HIS A 66 -8.619 -13.361 2.712 1.00 0.00 H new ATOM 0 HB2 HIS A 66 -7.768 -14.354 4.711 1.00 0.00 H new ATOM 0 HB3 HIS A 66 -8.915 -15.432 3.940 1.00 0.00 H new ATOM 0 HD1 HIS A 66 -8.059 -17.752 4.727 1.00 0.00 H new ATOM 0 HD2 HIS A 66 -5.051 -15.212 3.214 1.00 0.00 H new ATOM 0 HE1 HIS A 66 -5.915 -19.144 4.584 1.00 0.00 H new ATOM 1038 N TRP A 67 -6.070 -12.695 3.346 1.00 0.00 N ATOM 1039 CA TRP A 67 -4.745 -12.123 3.387 1.00 0.00 C ATOM 1040 C TRP A 67 -3.975 -12.801 4.522 1.00 0.00 C ATOM 1041 O TRP A 67 -4.578 -13.296 5.486 1.00 0.00 O ATOM 1042 CB TRP A 67 -4.857 -10.600 3.551 1.00 0.00 C ATOM 1043 CG TRP A 67 -5.424 -9.882 2.358 1.00 0.00 C ATOM 1044 CD1 TRP A 67 -6.709 -9.913 1.937 1.00 0.00 C ATOM 1045 CD2 TRP A 67 -4.720 -9.071 1.374 1.00 0.00 C ATOM 1046 NE1 TRP A 67 -6.836 -9.206 0.759 1.00 0.00 N ATOM 1047 CE2 TRP A 67 -5.630 -8.677 0.353 1.00 0.00 C ATOM 1048 CE3 TRP A 67 -3.386 -8.650 1.237 1.00 0.00 C ATOM 1049 CZ2 TRP A 67 -5.220 -7.925 -0.758 1.00 0.00 C ATOM 1050 CZ3 TRP A 67 -2.950 -7.935 0.112 1.00 0.00 C ATOM 1051 CH2 TRP A 67 -3.867 -7.568 -0.883 1.00 0.00 C ATOM 0 H TRP A 67 -6.635 -12.457 4.162 1.00 0.00 H new ATOM 0 HA TRP A 67 -4.195 -12.295 2.462 1.00 0.00 H new ATOM 0 HB2 TRP A 67 -5.482 -10.386 4.418 1.00 0.00 H new ATOM 0 HB3 TRP A 67 -3.867 -10.197 3.764 1.00 0.00 H new ATOM 0 HD1 TRP A 67 -7.516 -10.417 2.448 1.00 0.00 H new ATOM 0 HE1 TRP A 67 -7.713 -9.089 0.252 1.00 0.00 H new ATOM 0 HE3 TRP A 67 -2.678 -8.883 2.019 1.00 0.00 H new ATOM 0 HZ2 TRP A 67 -5.936 -7.624 -1.508 1.00 0.00 H new ATOM 0 HZ3 TRP A 67 -1.908 -7.667 0.012 1.00 0.00 H new ATOM 0 HH2 TRP A 67 -3.533 -7.011 -1.746 1.00 0.00 H new ATOM 1062 N HIS A 68 -2.649 -12.823 4.414 1.00 0.00 N ATOM 1063 CA HIS A 68 -1.740 -13.338 5.425 1.00 0.00 C ATOM 1064 C HIS A 68 -0.713 -12.267 5.809 1.00 0.00 C ATOM 1065 O HIS A 68 -0.324 -11.471 4.947 1.00 0.00 O ATOM 1066 CB HIS A 68 -0.985 -14.570 4.886 1.00 0.00 C ATOM 1067 CG HIS A 68 -1.421 -15.881 5.471 1.00 0.00 C ATOM 1068 ND1 HIS A 68 -2.478 -16.649 5.054 1.00 0.00 N ATOM 1069 CD2 HIS A 68 -0.785 -16.567 6.469 1.00 0.00 C ATOM 1070 CE1 HIS A 68 -2.482 -17.771 5.776 1.00 0.00 C ATOM 1071 NE2 HIS A 68 -1.473 -17.767 6.663 1.00 0.00 N ATOM 0 H HIS A 68 -2.164 -12.469 3.589 1.00 0.00 H new ATOM 0 HA HIS A 68 -2.328 -13.618 6.299 1.00 0.00 H new ATOM 0 HB2 HIS A 68 -1.111 -14.611 3.804 1.00 0.00 H new ATOM 0 HB3 HIS A 68 0.080 -14.439 5.078 1.00 0.00 H new ATOM 0 HD1 HIS A 68 -3.144 -16.405 4.321 1.00 0.00 H new ATOM 0 HD2 HIS A 68 0.091 -16.240 7.009 1.00 0.00 H new ATOM 0 HE1 HIS A 68 -3.198 -18.572 5.663 1.00 0.00 H new ATOM 1079 N PRO A 69 -0.200 -12.282 7.055 1.00 0.00 N ATOM 1080 CA PRO A 69 0.827 -11.364 7.516 1.00 0.00 C ATOM 1081 C PRO A 69 2.164 -11.704 6.860 1.00 0.00 C ATOM 1082 O PRO A 69 2.794 -12.725 7.154 1.00 0.00 O ATOM 1083 CB PRO A 69 0.856 -11.491 9.042 1.00 0.00 C ATOM 1084 CG PRO A 69 0.369 -12.915 9.288 1.00 0.00 C ATOM 1085 CD PRO A 69 -0.611 -13.156 8.144 1.00 0.00 C ATOM 0 HA PRO A 69 0.621 -10.330 7.241 1.00 0.00 H new ATOM 0 HB2 PRO A 69 1.859 -11.335 9.439 1.00 0.00 H new ATOM 0 HB3 PRO A 69 0.207 -10.756 9.519 1.00 0.00 H new ATOM 0 HG2 PRO A 69 1.192 -13.630 9.270 1.00 0.00 H new ATOM 0 HG3 PRO A 69 -0.116 -13.012 10.259 1.00 0.00 H new ATOM 0 HD2 PRO A 69 -0.593 -14.200 7.831 1.00 0.00 H new ATOM 0 HD3 PRO A 69 -1.632 -12.934 8.455 1.00 0.00 H new ATOM 1093 N ALA A 70 2.634 -10.816 5.989 1.00 0.00 N ATOM 1094 CA ALA A 70 3.963 -10.861 5.395 1.00 0.00 C ATOM 1095 C ALA A 70 5.017 -10.293 6.367 1.00 0.00 C ATOM 1096 O ALA A 70 5.963 -9.645 5.921 1.00 0.00 O ATOM 1097 CB ALA A 70 3.921 -10.145 4.037 1.00 0.00 C ATOM 0 H ALA A 70 2.082 -10.021 5.668 1.00 0.00 H new ATOM 0 HA ALA A 70 4.268 -11.891 5.212 1.00 0.00 H new ATOM 0 HB1 ALA A 70 4.911 -10.171 3.581 1.00 0.00 H new ATOM 0 HB2 ALA A 70 3.207 -10.646 3.383 1.00 0.00 H new ATOM 0 HB3 ALA A 70 3.616 -9.109 4.181 1.00 0.00 H new ATOM 1103 N ALA A 71 4.842 -10.514 7.682 1.00 0.00 N ATOM 1104 CA ALA A 71 5.725 -10.053 8.756 1.00 0.00 C ATOM 1105 C ALA A 71 5.679 -8.518 8.929 1.00 0.00 C ATOM 1106 O ALA A 71 5.030 -7.824 8.135 1.00 0.00 O ATOM 1107 CB ALA A 71 7.128 -10.648 8.547 1.00 0.00 C ATOM 0 H ALA A 71 4.045 -11.043 8.035 1.00 0.00 H new ATOM 0 HA ALA A 71 5.370 -10.424 9.718 1.00 0.00 H new ATOM 0 HB1 ALA A 71 7.790 -10.308 9.344 1.00 0.00 H new ATOM 0 HB2 ALA A 71 7.068 -11.736 8.565 1.00 0.00 H new ATOM 0 HB3 ALA A 71 7.522 -10.322 7.584 1.00 0.00 H new ATOM 1113 N PRO A 72 6.209 -7.948 10.027 1.00 0.00 N ATOM 1114 CA PRO A 72 6.436 -6.509 10.097 1.00 0.00 C ATOM 1115 C PRO A 72 7.587 -6.086 9.173 1.00 0.00 C ATOM 1116 O PRO A 72 8.258 -6.931 8.566 1.00 0.00 O ATOM 1117 CB PRO A 72 6.756 -6.211 11.559 1.00 0.00 C ATOM 1118 CG PRO A 72 7.439 -7.493 12.016 1.00 0.00 C ATOM 1119 CD PRO A 72 6.691 -8.585 11.247 1.00 0.00 C ATOM 0 HA PRO A 72 5.563 -5.949 9.762 1.00 0.00 H new ATOM 0 HB2 PRO A 72 7.409 -5.344 11.663 1.00 0.00 H new ATOM 0 HB3 PRO A 72 5.856 -6.003 12.137 1.00 0.00 H new ATOM 0 HG2 PRO A 72 8.502 -7.489 11.777 1.00 0.00 H new ATOM 0 HG3 PRO A 72 7.355 -7.631 13.094 1.00 0.00 H new ATOM 0 HD2 PRO A 72 7.349 -9.423 11.018 1.00 0.00 H new ATOM 0 HD3 PRO A 72 5.863 -8.981 11.835 1.00 0.00 H new ATOM 1127 N LEU A 73 7.829 -4.776 9.100 1.00 0.00 N ATOM 1128 CA LEU A 73 8.783 -4.138 8.202 1.00 0.00 C ATOM 1129 C LEU A 73 9.657 -3.159 9.001 1.00 0.00 C ATOM 1130 O LEU A 73 9.132 -2.513 9.914 1.00 0.00 O ATOM 1131 CB LEU A 73 7.940 -3.411 7.137 1.00 0.00 C ATOM 1132 CG LEU A 73 8.667 -2.928 5.877 1.00 0.00 C ATOM 1133 CD1 LEU A 73 9.239 -4.062 5.018 1.00 0.00 C ATOM 1134 CD2 LEU A 73 7.684 -2.140 5.010 1.00 0.00 C ATOM 0 H LEU A 73 7.342 -4.104 9.693 1.00 0.00 H new ATOM 0 HA LEU A 73 9.457 -4.852 7.729 1.00 0.00 H new ATOM 0 HB2 LEU A 73 7.137 -4.080 6.828 1.00 0.00 H new ATOM 0 HB3 LEU A 73 7.472 -2.547 7.609 1.00 0.00 H new ATOM 0 HG LEU A 73 9.505 -2.321 6.220 1.00 0.00 H new ATOM 0 HD11 LEU A 73 9.738 -3.641 4.145 1.00 0.00 H new ATOM 0 HD12 LEU A 73 9.956 -4.636 5.604 1.00 0.00 H new ATOM 0 HD13 LEU A 73 8.430 -4.716 4.693 1.00 0.00 H new ATOM 0 HD21 LEU A 73 8.191 -1.791 4.110 1.00 0.00 H new ATOM 0 HD22 LEU A 73 6.849 -2.783 4.730 1.00 0.00 H new ATOM 0 HD23 LEU A 73 7.310 -1.283 5.571 1.00 0.00 H new ATOM 1146 N PRO A 74 10.955 -2.987 8.688 1.00 0.00 N ATOM 1147 CA PRO A 74 11.804 -2.016 9.374 1.00 0.00 C ATOM 1148 C PRO A 74 11.495 -0.604 8.853 1.00 0.00 C ATOM 1149 O PRO A 74 10.888 -0.474 7.785 1.00 0.00 O ATOM 1150 CB PRO A 74 13.233 -2.431 9.012 1.00 0.00 C ATOM 1151 CG PRO A 74 13.070 -2.951 7.594 1.00 0.00 C ATOM 1152 CD PRO A 74 11.709 -3.630 7.618 1.00 0.00 C ATOM 0 HA PRO A 74 11.648 -1.999 10.453 1.00 0.00 H new ATOM 0 HB2 PRO A 74 13.925 -1.590 9.060 1.00 0.00 H new ATOM 0 HB3 PRO A 74 13.616 -3.198 9.685 1.00 0.00 H new ATOM 0 HG2 PRO A 74 13.102 -2.142 6.864 1.00 0.00 H new ATOM 0 HG3 PRO A 74 13.863 -3.651 7.330 1.00 0.00 H new ATOM 0 HD2 PRO A 74 11.200 -3.517 6.661 1.00 0.00 H new ATOM 0 HD3 PRO A 74 11.810 -4.700 7.801 1.00 0.00 H new ATOM 1160 N PRO A 75 11.985 0.461 9.510 1.00 0.00 N ATOM 1161 CA PRO A 75 11.755 1.826 9.059 1.00 0.00 C ATOM 1162 C PRO A 75 12.288 2.070 7.642 1.00 0.00 C ATOM 1163 O PRO A 75 11.547 2.587 6.813 1.00 0.00 O ATOM 1164 CB PRO A 75 12.405 2.731 10.112 1.00 0.00 C ATOM 1165 CG PRO A 75 13.411 1.830 10.825 1.00 0.00 C ATOM 1166 CD PRO A 75 12.744 0.458 10.753 1.00 0.00 C ATOM 0 HA PRO A 75 10.690 2.042 8.976 1.00 0.00 H new ATOM 0 HB2 PRO A 75 12.897 3.587 9.650 1.00 0.00 H new ATOM 0 HB3 PRO A 75 11.664 3.126 10.807 1.00 0.00 H new ATOM 0 HG2 PRO A 75 14.381 1.835 10.329 1.00 0.00 H new ATOM 0 HG3 PRO A 75 13.578 2.145 11.855 1.00 0.00 H new ATOM 0 HD2 PRO A 75 13.486 -0.340 10.758 1.00 0.00 H new ATOM 0 HD3 PRO A 75 12.092 0.293 11.611 1.00 0.00 H new ATOM 1174 N GLU A 76 13.521 1.656 7.321 1.00 0.00 N ATOM 1175 CA GLU A 76 14.135 1.899 6.008 1.00 0.00 C ATOM 1176 C GLU A 76 13.599 0.897 4.983 1.00 0.00 C ATOM 1177 O GLU A 76 13.873 0.990 3.784 1.00 0.00 O ATOM 1178 CB GLU A 76 15.672 1.840 6.098 1.00 0.00 C ATOM 1179 CG GLU A 76 16.198 2.732 7.231 1.00 0.00 C ATOM 1180 CD GLU A 76 17.644 3.204 7.026 1.00 0.00 C ATOM 1181 OE1 GLU A 76 17.922 3.909 6.029 1.00 0.00 O ATOM 1182 OE2 GLU A 76 18.512 2.910 7.883 1.00 0.00 O ATOM 0 H GLU A 76 14.122 1.142 7.965 1.00 0.00 H new ATOM 0 HA GLU A 76 13.867 2.903 5.678 1.00 0.00 H new ATOM 0 HB2 GLU A 76 15.990 0.811 6.265 1.00 0.00 H new ATOM 0 HB3 GLU A 76 16.107 2.158 5.150 1.00 0.00 H new ATOM 0 HG2 GLU A 76 15.551 3.604 7.325 1.00 0.00 H new ATOM 0 HG3 GLU A 76 16.134 2.185 8.171 1.00 0.00 H new ATOM 1189 N GLY A 77 12.804 -0.067 5.448 1.00 0.00 N ATOM 1190 CA GLY A 77 11.958 -0.876 4.599 1.00 0.00 C ATOM 1191 C GLY A 77 10.877 -0.060 3.879 1.00 0.00 C ATOM 1192 O GLY A 77 10.440 -0.471 2.806 1.00 0.00 O ATOM 0 H GLY A 77 12.735 -0.303 6.438 1.00 0.00 H new ATOM 0 HA2 GLY A 77 12.575 -1.384 3.858 1.00 0.00 H new ATOM 0 HA3 GLY A 77 11.481 -1.649 5.201 1.00 0.00 H new ATOM 1196 N LEU A 78 10.467 1.102 4.403 1.00 0.00 N ATOM 1197 CA LEU A 78 9.461 1.976 3.784 1.00 0.00 C ATOM 1198 C LEU A 78 9.948 2.387 2.401 1.00 0.00 C ATOM 1199 O LEU A 78 9.254 2.252 1.392 1.00 0.00 O ATOM 1200 CB LEU A 78 9.237 3.207 4.688 1.00 0.00 C ATOM 1201 CG LEU A 78 8.407 4.353 4.089 1.00 0.00 C ATOM 1202 CD1 LEU A 78 7.021 3.936 3.586 1.00 0.00 C ATOM 1203 CD2 LEU A 78 8.224 5.433 5.161 1.00 0.00 C ATOM 0 H LEU A 78 10.830 1.468 5.283 1.00 0.00 H new ATOM 0 HA LEU A 78 8.511 1.453 3.675 1.00 0.00 H new ATOM 0 HB2 LEU A 78 8.749 2.874 5.604 1.00 0.00 H new ATOM 0 HB3 LEU A 78 10.212 3.604 4.973 1.00 0.00 H new ATOM 0 HG LEU A 78 8.959 4.711 3.220 1.00 0.00 H new ATOM 0 HD11 LEU A 78 6.504 4.806 3.180 1.00 0.00 H new ATOM 0 HD12 LEU A 78 7.129 3.181 2.807 1.00 0.00 H new ATOM 0 HD13 LEU A 78 6.443 3.524 4.413 1.00 0.00 H new ATOM 0 HD21 LEU A 78 7.636 6.255 4.753 1.00 0.00 H new ATOM 0 HD22 LEU A 78 7.705 5.008 6.021 1.00 0.00 H new ATOM 0 HD23 LEU A 78 9.200 5.805 5.473 1.00 0.00 H new ATOM 1215 N ASN A 79 11.200 2.822 2.360 1.00 0.00 N ATOM 1216 CA ASN A 79 11.896 3.262 1.171 1.00 0.00 C ATOM 1217 C ASN A 79 12.152 2.115 0.188 1.00 0.00 C ATOM 1218 O ASN A 79 12.678 2.379 -0.893 1.00 0.00 O ATOM 1219 CB ASN A 79 13.266 3.864 1.549 1.00 0.00 C ATOM 1220 CG ASN A 79 13.245 4.900 2.668 1.00 0.00 C ATOM 1221 OD1 ASN A 79 12.776 4.626 3.766 1.00 0.00 O ATOM 1222 ND2 ASN A 79 13.785 6.081 2.434 1.00 0.00 N ATOM 0 H ASN A 79 11.780 2.878 3.197 1.00 0.00 H new ATOM 0 HA ASN A 79 11.254 4.004 0.695 1.00 0.00 H new ATOM 0 HB2 ASN A 79 13.931 3.052 1.843 1.00 0.00 H new ATOM 0 HB3 ASN A 79 13.698 4.324 0.660 1.00 0.00 H new ATOM 0 HD21 ASN A 79 13.817 6.783 3.173 1.00 0.00 H new ATOM 0 HD22 ASN A 79 14.171 6.292 1.514 1.00 0.00 H new ATOM 1229 N ASP A 80 11.886 0.847 0.520 1.00 0.00 N ATOM 1230 CA ASP A 80 11.886 -0.251 -0.454 1.00 0.00 C ATOM 1231 C ASP A 80 10.560 -0.326 -1.202 1.00 0.00 C ATOM 1232 O ASP A 80 10.567 -0.635 -2.392 1.00 0.00 O ATOM 1233 CB ASP A 80 12.172 -1.604 0.205 1.00 0.00 C ATOM 1234 CG ASP A 80 11.935 -2.757 -0.773 1.00 0.00 C ATOM 1235 OD1 ASP A 80 12.770 -2.993 -1.680 1.00 0.00 O ATOM 1236 OD2 ASP A 80 10.911 -3.452 -0.616 1.00 0.00 O ATOM 0 H ASP A 80 11.665 0.553 1.471 1.00 0.00 H new ATOM 0 HA ASP A 80 12.687 -0.035 -1.161 1.00 0.00 H new ATOM 0 HB2 ASP A 80 13.203 -1.629 0.558 1.00 0.00 H new ATOM 0 HB3 ASP A 80 11.533 -1.728 1.079 1.00 0.00 H new ATOM 1241 N LEU A 81 9.442 -0.019 -0.540 1.00 0.00 N ATOM 1242 CA LEU A 81 8.130 -0.022 -1.173 1.00 0.00 C ATOM 1243 C LEU A 81 8.120 1.109 -2.194 1.00 0.00 C ATOM 1244 O LEU A 81 8.199 0.857 -3.395 1.00 0.00 O ATOM 1245 CB LEU A 81 6.991 0.106 -0.133 1.00 0.00 C ATOM 1246 CG LEU A 81 6.528 -1.188 0.561 1.00 0.00 C ATOM 1247 CD1 LEU A 81 5.973 -2.234 -0.404 1.00 0.00 C ATOM 1248 CD2 LEU A 81 7.667 -1.798 1.363 1.00 0.00 C ATOM 0 H LEU A 81 9.425 0.237 0.447 1.00 0.00 H new ATOM 0 HA LEU A 81 7.948 -0.973 -1.675 1.00 0.00 H new ATOM 0 HB2 LEU A 81 7.313 0.807 0.637 1.00 0.00 H new ATOM 0 HB3 LEU A 81 6.129 0.552 -0.629 1.00 0.00 H new ATOM 0 HG LEU A 81 5.711 -0.896 1.221 1.00 0.00 H new ATOM 0 HD11 LEU A 81 5.667 -3.118 0.155 1.00 0.00 H new ATOM 0 HD12 LEU A 81 5.113 -1.822 -0.932 1.00 0.00 H new ATOM 0 HD13 LEU A 81 6.743 -2.509 -1.125 1.00 0.00 H new ATOM 0 HD21 LEU A 81 7.323 -2.712 1.847 1.00 0.00 H new ATOM 0 HD22 LEU A 81 8.497 -2.031 0.696 1.00 0.00 H new ATOM 0 HD23 LEU A 81 7.999 -1.089 2.121 1.00 0.00 H new ATOM 1260 N ILE A 82 8.104 2.362 -1.729 1.00 0.00 N ATOM 1261 CA ILE A 82 7.985 3.536 -2.597 1.00 0.00 C ATOM 1262 C ILE A 82 9.108 3.597 -3.653 1.00 0.00 C ATOM 1263 O ILE A 82 8.901 4.180 -4.717 1.00 0.00 O ATOM 1264 CB ILE A 82 7.879 4.819 -1.738 1.00 0.00 C ATOM 1265 CG1 ILE A 82 6.721 4.800 -0.714 1.00 0.00 C ATOM 1266 CG2 ILE A 82 7.785 6.090 -2.601 1.00 0.00 C ATOM 1267 CD1 ILE A 82 5.332 4.451 -1.262 1.00 0.00 C ATOM 0 H ILE A 82 8.173 2.590 -0.737 1.00 0.00 H new ATOM 0 HA ILE A 82 7.063 3.453 -3.173 1.00 0.00 H new ATOM 0 HB ILE A 82 8.809 4.838 -1.170 1.00 0.00 H new ATOM 0 HG12 ILE A 82 6.969 4.084 0.069 1.00 0.00 H new ATOM 0 HG13 ILE A 82 6.666 5.781 -0.243 1.00 0.00 H new ATOM 0 HG21 ILE A 82 7.712 6.964 -1.954 1.00 0.00 H new ATOM 0 HG22 ILE A 82 8.675 6.173 -3.225 1.00 0.00 H new ATOM 0 HG23 ILE A 82 6.901 6.034 -3.236 1.00 0.00 H new ATOM 0 HD11 ILE A 82 4.605 4.470 -0.450 1.00 0.00 H new ATOM 0 HD12 ILE A 82 5.047 5.179 -2.021 1.00 0.00 H new ATOM 0 HD13 ILE A 82 5.355 3.455 -1.705 1.00 0.00 H new ATOM 1279 N ARG A 83 10.246 2.916 -3.444 1.00 0.00 N ATOM 1280 CA ARG A 83 11.307 2.763 -4.435 1.00 0.00 C ATOM 1281 C ARG A 83 10.749 2.416 -5.809 1.00 0.00 C ATOM 1282 O ARG A 83 11.171 3.003 -6.801 1.00 0.00 O ATOM 1283 CB ARG A 83 12.265 1.631 -4.013 1.00 0.00 C ATOM 1284 CG ARG A 83 13.736 2.030 -4.110 1.00 0.00 C ATOM 1285 CD ARG A 83 14.628 0.854 -4.535 1.00 0.00 C ATOM 1286 NE ARG A 83 14.940 0.912 -5.978 1.00 0.00 N ATOM 1287 CZ ARG A 83 16.161 0.915 -6.524 1.00 0.00 C ATOM 1288 NH1 ARG A 83 17.219 0.564 -5.800 1.00 0.00 N ATOM 1289 NH2 ARG A 83 16.336 1.273 -7.785 1.00 0.00 N ATOM 0 H ARG A 83 10.452 2.449 -2.561 1.00 0.00 H new ATOM 0 HA ARG A 83 11.832 3.717 -4.491 1.00 0.00 H new ATOM 0 HB2 ARG A 83 12.041 1.335 -2.988 1.00 0.00 H new ATOM 0 HB3 ARG A 83 12.088 0.759 -4.642 1.00 0.00 H new ATOM 0 HG2 ARG A 83 13.844 2.844 -4.827 1.00 0.00 H new ATOM 0 HG3 ARG A 83 14.072 2.409 -3.145 1.00 0.00 H new ATOM 0 HD2 ARG A 83 15.554 0.870 -3.960 1.00 0.00 H new ATOM 0 HD3 ARG A 83 14.127 -0.087 -4.306 1.00 0.00 H new ATOM 0 HE ARG A 83 14.148 0.954 -6.620 1.00 0.00 H new ATOM 0 HH11 ARG A 83 17.101 0.291 -4.824 1.00 0.00 H new ATOM 0 HH12 ARG A 83 18.148 0.568 -6.220 1.00 0.00 H new ATOM 0 HH21 ARG A 83 15.535 1.551 -8.352 1.00 0.00 H new ATOM 0 HH22 ARG A 83 17.272 1.271 -8.190 1.00 0.00 H new ATOM 1303 N ALA A 84 9.844 1.437 -5.859 1.00 0.00 N ATOM 1304 CA ALA A 84 9.351 0.873 -7.101 1.00 0.00 C ATOM 1305 C ALA A 84 8.558 1.928 -7.875 1.00 0.00 C ATOM 1306 O ALA A 84 8.821 2.167 -9.051 1.00 0.00 O ATOM 1307 CB ALA A 84 8.550 -0.395 -6.763 1.00 0.00 C ATOM 0 H ALA A 84 9.433 1.014 -5.026 1.00 0.00 H new ATOM 0 HA ALA A 84 10.164 0.578 -7.764 1.00 0.00 H new ATOM 0 HB1 ALA A 84 8.167 -0.839 -7.682 1.00 0.00 H new ATOM 0 HB2 ALA A 84 9.198 -1.110 -6.256 1.00 0.00 H new ATOM 0 HB3 ALA A 84 7.716 -0.136 -6.111 1.00 0.00 H new ATOM 1313 N HIS A 85 7.637 2.595 -7.185 1.00 0.00 N ATOM 1314 CA HIS A 85 6.826 3.698 -7.682 1.00 0.00 C ATOM 1315 C HIS A 85 7.726 4.803 -8.229 1.00 0.00 C ATOM 1316 O HIS A 85 7.542 5.251 -9.355 1.00 0.00 O ATOM 1317 CB HIS A 85 5.918 4.177 -6.542 1.00 0.00 C ATOM 1318 CG HIS A 85 5.196 5.478 -6.761 1.00 0.00 C ATOM 1319 ND1 HIS A 85 3.846 5.656 -6.998 1.00 0.00 N ATOM 1320 CD2 HIS A 85 5.762 6.716 -6.616 1.00 0.00 C ATOM 1321 CE1 HIS A 85 3.624 6.980 -7.026 1.00 0.00 C ATOM 1322 NE2 HIS A 85 4.759 7.658 -6.792 1.00 0.00 N ATOM 0 H HIS A 85 7.427 2.367 -6.213 1.00 0.00 H new ATOM 0 HA HIS A 85 6.193 3.380 -8.510 1.00 0.00 H new ATOM 0 HB2 HIS A 85 5.175 3.403 -6.349 1.00 0.00 H new ATOM 0 HB3 HIS A 85 6.523 4.270 -5.640 1.00 0.00 H new ATOM 0 HD1 HIS A 85 3.150 4.921 -7.127 1.00 0.00 H new ATOM 0 HD2 HIS A 85 6.801 6.922 -6.403 1.00 0.00 H new ATOM 0 HE1 HIS A 85 2.663 7.437 -7.211 1.00 0.00 H new ATOM 1330 N CYS A 86 8.736 5.216 -7.462 1.00 0.00 N ATOM 1331 CA CYS A 86 9.654 6.245 -7.905 1.00 0.00 C ATOM 1332 C CYS A 86 10.394 5.795 -9.155 1.00 0.00 C ATOM 1333 O CYS A 86 10.473 6.568 -10.098 1.00 0.00 O ATOM 1334 CB CYS A 86 10.641 6.586 -6.791 1.00 0.00 C ATOM 1335 SG CYS A 86 9.779 7.411 -5.425 1.00 0.00 S ATOM 0 H CYS A 86 8.932 4.848 -6.531 1.00 0.00 H new ATOM 0 HA CYS A 86 9.083 7.141 -8.149 1.00 0.00 H new ATOM 0 HB2 CYS A 86 11.123 5.677 -6.431 1.00 0.00 H new ATOM 0 HB3 CYS A 86 11.429 7.233 -7.178 1.00 0.00 H new ATOM 0 HG CYS A 86 10.647 7.999 -4.656 1.00 0.00 H new ATOM 1341 N ALA A 87 10.917 4.571 -9.187 1.00 0.00 N ATOM 1342 CA ALA A 87 11.660 4.055 -10.324 1.00 0.00 C ATOM 1343 C ALA A 87 10.811 3.994 -11.593 1.00 0.00 C ATOM 1344 O ALA A 87 11.301 4.351 -12.664 1.00 0.00 O ATOM 1345 CB ALA A 87 12.215 2.681 -9.974 1.00 0.00 C ATOM 0 H ALA A 87 10.834 3.908 -8.416 1.00 0.00 H new ATOM 0 HA ALA A 87 12.480 4.741 -10.536 1.00 0.00 H new ATOM 0 HB1 ALA A 87 12.774 2.287 -10.823 1.00 0.00 H new ATOM 0 HB2 ALA A 87 12.876 2.765 -9.111 1.00 0.00 H new ATOM 0 HB3 ALA A 87 11.393 2.006 -9.737 1.00 0.00 H new ATOM 1351 N THR A 88 9.544 3.590 -11.486 1.00 0.00 N ATOM 1352 CA THR A 88 8.634 3.513 -12.626 1.00 0.00 C ATOM 1353 C THR A 88 8.081 4.901 -13.011 1.00 0.00 C ATOM 1354 O THR A 88 7.209 4.989 -13.876 1.00 0.00 O ATOM 1355 CB THR A 88 7.580 2.413 -12.367 1.00 0.00 C ATOM 1356 OG1 THR A 88 7.028 1.866 -13.556 1.00 0.00 O ATOM 1357 CG2 THR A 88 6.444 2.847 -11.442 1.00 0.00 C ATOM 0 H THR A 88 9.120 3.306 -10.602 1.00 0.00 H new ATOM 0 HA THR A 88 9.170 3.204 -13.523 1.00 0.00 H new ATOM 0 HB THR A 88 8.152 1.636 -11.859 1.00 0.00 H new ATOM 0 HG1 THR A 88 6.371 1.177 -13.325 1.00 0.00 H new ATOM 0 HG21 THR A 88 5.746 2.020 -11.310 1.00 0.00 H new ATOM 0 HG22 THR A 88 6.853 3.135 -10.474 1.00 0.00 H new ATOM 0 HG23 THR A 88 5.921 3.696 -11.882 1.00 0.00 H new ATOM 1365 N LEU A 89 8.565 5.992 -12.407 1.00 0.00 N ATOM 1366 CA LEU A 89 8.228 7.364 -12.788 1.00 0.00 C ATOM 1367 C LEU A 89 9.490 8.199 -13.043 1.00 0.00 C ATOM 1368 O LEU A 89 9.446 9.182 -13.781 1.00 0.00 O ATOM 1369 CB LEU A 89 7.346 7.996 -11.697 1.00 0.00 C ATOM 1370 CG LEU A 89 5.961 7.333 -11.524 1.00 0.00 C ATOM 1371 CD1 LEU A 89 5.241 7.911 -10.304 1.00 0.00 C ATOM 1372 CD2 LEU A 89 5.066 7.504 -12.755 1.00 0.00 C ATOM 0 H LEU A 89 9.216 5.942 -11.623 1.00 0.00 H new ATOM 0 HA LEU A 89 7.669 7.344 -13.724 1.00 0.00 H new ATOM 0 HB2 LEU A 89 7.878 7.949 -10.747 1.00 0.00 H new ATOM 0 HB3 LEU A 89 7.202 9.051 -11.930 1.00 0.00 H new ATOM 0 HG LEU A 89 6.145 6.267 -11.387 1.00 0.00 H new ATOM 0 HD11 LEU A 89 4.267 7.433 -10.196 1.00 0.00 H new ATOM 0 HD12 LEU A 89 5.836 7.727 -9.409 1.00 0.00 H new ATOM 0 HD13 LEU A 89 5.106 8.985 -10.436 1.00 0.00 H new ATOM 0 HD21 LEU A 89 4.106 7.019 -12.577 1.00 0.00 H new ATOM 0 HD22 LEU A 89 4.906 8.566 -12.944 1.00 0.00 H new ATOM 0 HD23 LEU A 89 5.548 7.050 -13.621 1.00 0.00 H new ATOM 1384 N GLY A 90 10.639 7.803 -12.494 1.00 0.00 N ATOM 1385 CA GLY A 90 11.916 8.498 -12.568 1.00 0.00 C ATOM 1386 C GLY A 90 12.232 9.355 -11.336 1.00 0.00 C ATOM 1387 O GLY A 90 13.228 10.089 -11.369 1.00 0.00 O ATOM 0 H GLY A 90 10.702 6.939 -11.956 1.00 0.00 H new ATOM 0 HA2 GLY A 90 12.711 7.764 -12.701 1.00 0.00 H new ATOM 0 HA3 GLY A 90 11.920 9.135 -13.452 1.00 0.00 H new ATOM 1391 N HIS A 91 11.423 9.297 -10.269 1.00 0.00 N ATOM 1392 CA HIS A 91 11.591 10.177 -9.113 1.00 0.00 C ATOM 1393 C HIS A 91 12.754 9.704 -8.237 1.00 0.00 C ATOM 1394 O HIS A 91 13.160 8.536 -8.280 1.00 0.00 O ATOM 1395 CB HIS A 91 10.309 10.198 -8.267 1.00 0.00 C ATOM 1396 CG HIS A 91 9.091 10.735 -8.968 1.00 0.00 C ATOM 1397 ND1 HIS A 91 8.986 11.959 -9.592 1.00 0.00 N ATOM 1398 CD2 HIS A 91 7.865 10.128 -9.027 1.00 0.00 C ATOM 1399 CE1 HIS A 91 7.718 12.082 -10.014 1.00 0.00 C ATOM 1400 NE2 HIS A 91 7.007 10.983 -9.713 1.00 0.00 N ATOM 0 H HIS A 91 10.643 8.645 -10.186 1.00 0.00 H new ATOM 0 HA HIS A 91 11.803 11.180 -9.485 1.00 0.00 H new ATOM 0 HB2 HIS A 91 10.098 9.183 -7.930 1.00 0.00 H new ATOM 0 HB3 HIS A 91 10.490 10.798 -7.375 1.00 0.00 H new ATOM 0 HD1 HIS A 91 9.733 12.644 -9.711 1.00 0.00 H new ATOM 0 HD2 HIS A 91 7.610 9.162 -8.616 1.00 0.00 H new ATOM 0 HE1 HIS A 91 7.323 12.947 -10.526 1.00 0.00 H new ATOM 1408 N CYS A 92 13.240 10.581 -7.359 1.00 0.00 N ATOM 1409 CA CYS A 92 14.211 10.265 -6.329 1.00 0.00 C ATOM 1410 C CYS A 92 14.082 11.308 -5.221 1.00 0.00 C ATOM 1411 O CYS A 92 14.662 12.385 -5.344 1.00 0.00 O ATOM 1412 CB CYS A 92 15.622 10.280 -6.930 1.00 0.00 C ATOM 1413 SG CYS A 92 16.830 9.767 -5.682 1.00 0.00 S ATOM 0 H CYS A 92 12.955 11.560 -7.351 1.00 0.00 H new ATOM 0 HA CYS A 92 14.030 9.272 -5.918 1.00 0.00 H new ATOM 0 HB2 CYS A 92 15.668 9.611 -7.789 1.00 0.00 H new ATOM 0 HB3 CYS A 92 15.862 11.280 -7.291 1.00 0.00 H new ATOM 0 HG CYS A 92 16.635 10.440 -4.587 1.00 0.00 H new ATOM 1419 N CYS A 93 13.353 10.982 -4.148 1.00 0.00 N ATOM 1420 CA CYS A 93 13.176 11.793 -2.944 1.00 0.00 C ATOM 1421 C CYS A 93 12.842 13.270 -3.216 1.00 0.00 C ATOM 1422 O CYS A 93 12.381 13.642 -4.297 1.00 0.00 O ATOM 1423 CB CYS A 93 14.326 11.545 -1.937 1.00 0.00 C ATOM 1424 SG CYS A 93 15.971 11.937 -2.585 1.00 0.00 S ATOM 0 H CYS A 93 12.845 10.099 -4.096 1.00 0.00 H new ATOM 0 HA CYS A 93 12.267 11.448 -2.452 1.00 0.00 H new ATOM 0 HB2 CYS A 93 14.147 12.142 -1.043 1.00 0.00 H new ATOM 0 HB3 CYS A 93 14.307 10.499 -1.631 1.00 0.00 H new ATOM 0 HG CYS A 93 15.868 12.339 -3.817 1.00 0.00 H new ATOM 1430 N THR A 94 12.922 14.087 -2.166 1.00 0.00 N ATOM 1431 CA THR A 94 12.607 15.503 -2.173 1.00 0.00 C ATOM 1432 C THR A 94 13.151 16.045 -0.846 1.00 0.00 C ATOM 1433 O THR A 94 14.306 16.462 -0.781 1.00 0.00 O ATOM 1434 CB THR A 94 11.095 15.726 -2.457 1.00 0.00 C ATOM 1435 OG1 THR A 94 10.715 17.055 -2.156 1.00 0.00 O ATOM 1436 CG2 THR A 94 10.128 14.742 -1.772 1.00 0.00 C ATOM 0 H THR A 94 13.223 13.758 -1.249 1.00 0.00 H new ATOM 0 HA THR A 94 13.077 16.065 -2.980 1.00 0.00 H new ATOM 0 HB THR A 94 10.998 15.526 -3.524 1.00 0.00 H new ATOM 0 HG1 THR A 94 9.760 17.173 -2.344 1.00 0.00 H new ATOM 0 HG21 THR A 94 9.102 14.993 -2.041 1.00 0.00 H new ATOM 0 HG22 THR A 94 10.351 13.726 -2.099 1.00 0.00 H new ATOM 0 HG23 THR A 94 10.246 14.809 -0.690 1.00 0.00 H new ATOM 1444 N SER A 95 12.390 15.962 0.244 1.00 0.00 N ATOM 1445 CA SER A 95 12.857 16.214 1.598 1.00 0.00 C ATOM 1446 C SER A 95 13.304 14.901 2.251 1.00 0.00 C ATOM 1447 O SER A 95 13.042 13.818 1.721 1.00 0.00 O ATOM 1448 CB SER A 95 11.714 16.872 2.385 1.00 0.00 C ATOM 1449 OG SER A 95 11.748 18.281 2.234 1.00 0.00 O ATOM 0 H SER A 95 11.403 15.710 0.204 1.00 0.00 H new ATOM 0 HA SER A 95 13.718 16.883 1.590 1.00 0.00 H new ATOM 0 HB2 SER A 95 10.756 16.487 2.035 1.00 0.00 H new ATOM 0 HB3 SER A 95 11.796 16.612 3.440 1.00 0.00 H new ATOM 0 HG SER A 95 11.011 18.682 2.741 1.00 0.00 H new ATOM 1455 N LYS A 96 13.904 15.029 3.444 1.00 0.00 N ATOM 1456 CA LYS A 96 14.245 13.985 4.412 1.00 0.00 C ATOM 1457 C LYS A 96 14.899 12.736 3.809 1.00 0.00 C ATOM 1458 O LYS A 96 15.437 12.761 2.702 1.00 0.00 O ATOM 1459 CB LYS A 96 13.155 13.825 5.484 1.00 0.00 C ATOM 1460 CG LYS A 96 12.034 12.835 5.205 1.00 0.00 C ATOM 1461 CD LYS A 96 11.070 13.247 4.090 1.00 0.00 C ATOM 1462 CE LYS A 96 9.622 12.865 4.397 1.00 0.00 C ATOM 1463 NZ LYS A 96 8.823 14.055 4.739 1.00 0.00 N ATOM 0 H LYS A 96 14.186 15.949 3.782 1.00 0.00 H new ATOM 0 HA LYS A 96 15.097 14.324 5.002 1.00 0.00 H new ATOM 0 HB2 LYS A 96 13.640 13.530 6.415 1.00 0.00 H new ATOM 0 HB3 LYS A 96 12.705 14.803 5.655 1.00 0.00 H new ATOM 0 HG2 LYS A 96 12.476 11.873 4.946 1.00 0.00 H new ATOM 0 HG3 LYS A 96 11.463 12.687 6.122 1.00 0.00 H new ATOM 0 HD2 LYS A 96 11.134 14.325 3.939 1.00 0.00 H new ATOM 0 HD3 LYS A 96 11.377 12.775 3.156 1.00 0.00 H new ATOM 0 HE2 LYS A 96 9.184 12.364 3.534 1.00 0.00 H new ATOM 0 HE3 LYS A 96 9.597 12.156 5.224 1.00 0.00 H new ATOM 0 HZ1 LYS A 96 7.867 13.761 5.025 1.00 0.00 H new ATOM 0 HZ2 LYS A 96 9.278 14.565 5.523 1.00 0.00 H new ATOM 0 HZ3 LYS A 96 8.759 14.680 3.910 1.00 0.00 H new ATOM 1477 N MET A 97 14.943 11.655 4.577 1.00 0.00 N ATOM 1478 CA MET A 97 15.440 10.337 4.209 1.00 0.00 C ATOM 1479 C MET A 97 14.439 9.669 3.254 1.00 0.00 C ATOM 1480 O MET A 97 13.901 8.604 3.547 1.00 0.00 O ATOM 1481 CB MET A 97 15.670 9.486 5.477 1.00 0.00 C ATOM 1482 CG MET A 97 16.337 10.199 6.660 1.00 0.00 C ATOM 1483 SD MET A 97 15.310 11.400 7.568 1.00 0.00 S ATOM 1484 CE MET A 97 13.863 10.399 8.027 1.00 0.00 C ATOM 0 H MET A 97 14.609 11.679 5.540 1.00 0.00 H new ATOM 0 HA MET A 97 16.397 10.428 3.696 1.00 0.00 H new ATOM 0 HB2 MET A 97 14.707 9.099 5.809 1.00 0.00 H new ATOM 0 HB3 MET A 97 16.282 8.626 5.206 1.00 0.00 H new ATOM 0 HG2 MET A 97 16.681 9.442 7.365 1.00 0.00 H new ATOM 0 HG3 MET A 97 17.222 10.717 6.291 1.00 0.00 H new ATOM 0 HE1 MET A 97 13.510 10.701 9.013 1.00 0.00 H new ATOM 0 HE2 MET A 97 13.069 10.550 7.295 1.00 0.00 H new ATOM 0 HE3 MET A 97 14.141 9.345 8.049 1.00 0.00 H new ATOM 1494 N HIS A 98 14.113 10.326 2.139 1.00 0.00 N ATOM 1495 CA HIS A 98 12.999 10.055 1.234 1.00 0.00 C ATOM 1496 C HIS A 98 11.631 10.280 1.894 1.00 0.00 C ATOM 1497 O HIS A 98 10.801 10.996 1.343 1.00 0.00 O ATOM 1498 CB HIS A 98 13.116 8.665 0.585 1.00 0.00 C ATOM 1499 CG HIS A 98 12.691 8.595 -0.859 1.00 0.00 C ATOM 1500 ND1 HIS A 98 13.361 7.903 -1.847 1.00 0.00 N ATOM 1501 CD2 HIS A 98 11.548 9.111 -1.412 1.00 0.00 C ATOM 1502 CE1 HIS A 98 12.631 7.983 -2.970 1.00 0.00 C ATOM 1503 NE2 HIS A 98 11.534 8.725 -2.756 1.00 0.00 N ATOM 0 H HIS A 98 14.665 11.123 1.823 1.00 0.00 H new ATOM 0 HA HIS A 98 13.066 10.787 0.430 1.00 0.00 H new ATOM 0 HB2 HIS A 98 14.151 8.333 0.659 1.00 0.00 H new ATOM 0 HB3 HIS A 98 12.513 7.961 1.159 1.00 0.00 H new ATOM 0 HD1 HIS A 98 14.252 7.417 -1.742 1.00 0.00 H new ATOM 0 HD2 HIS A 98 10.800 9.703 -0.906 1.00 0.00 H new ATOM 0 HE1 HIS A 98 12.889 7.518 -3.910 1.00 0.00 H new ATOM 1511 N LEU A 99 11.366 9.648 3.037 1.00 0.00 N ATOM 1512 CA LEU A 99 10.070 9.498 3.688 1.00 0.00 C ATOM 1513 C LEU A 99 10.280 9.528 5.194 1.00 0.00 C ATOM 1514 O LEU A 99 11.404 9.564 5.681 1.00 0.00 O ATOM 1515 CB LEU A 99 9.421 8.188 3.223 1.00 0.00 C ATOM 1516 CG LEU A 99 9.032 8.212 1.734 1.00 0.00 C ATOM 1517 CD1 LEU A 99 8.608 6.821 1.299 1.00 0.00 C ATOM 1518 CD2 LEU A 99 7.896 9.204 1.446 1.00 0.00 C ATOM 0 H LEU A 99 12.109 9.195 3.570 1.00 0.00 H new ATOM 0 HA LEU A 99 9.397 10.313 3.420 1.00 0.00 H new ATOM 0 HB2 LEU A 99 10.111 7.363 3.401 1.00 0.00 H new ATOM 0 HB3 LEU A 99 8.532 7.995 3.823 1.00 0.00 H new ATOM 0 HG LEU A 99 9.907 8.538 1.171 1.00 0.00 H new ATOM 0 HD11 LEU A 99 8.332 6.838 0.245 1.00 0.00 H new ATOM 0 HD12 LEU A 99 9.434 6.126 1.447 1.00 0.00 H new ATOM 0 HD13 LEU A 99 7.752 6.499 1.893 1.00 0.00 H new ATOM 0 HD21 LEU A 99 7.657 9.185 0.383 1.00 0.00 H new ATOM 0 HD22 LEU A 99 7.014 8.924 2.021 1.00 0.00 H new ATOM 0 HD23 LEU A 99 8.210 10.209 1.729 1.00 0.00 H new ATOM 1530 N HIS A 100 9.167 9.580 5.916 1.00 0.00 N ATOM 1531 CA HIS A 100 9.114 9.763 7.362 1.00 0.00 C ATOM 1532 C HIS A 100 8.191 8.717 7.992 1.00 0.00 C ATOM 1533 O HIS A 100 8.370 8.324 9.141 1.00 0.00 O ATOM 1534 CB HIS A 100 8.623 11.195 7.619 1.00 0.00 C ATOM 1535 CG HIS A 100 8.260 11.526 9.040 1.00 0.00 C ATOM 1536 ND1 HIS A 100 7.004 11.437 9.607 1.00 0.00 N ATOM 1537 CD2 HIS A 100 9.088 12.122 9.949 1.00 0.00 C ATOM 1538 CE1 HIS A 100 7.078 11.962 10.839 1.00 0.00 C ATOM 1539 NE2 HIS A 100 8.318 12.424 11.076 1.00 0.00 N ATOM 0 H HIS A 100 8.242 9.493 5.495 1.00 0.00 H new ATOM 0 HA HIS A 100 10.094 9.626 7.818 1.00 0.00 H new ATOM 0 HB2 HIS A 100 9.399 11.887 7.293 1.00 0.00 H new ATOM 0 HB3 HIS A 100 7.751 11.376 6.991 1.00 0.00 H new ATOM 0 HD2 HIS A 100 10.141 12.322 9.821 1.00 0.00 H new ATOM 0 HE1 HIS A 100 6.258 12.007 11.541 1.00 0.00 H new ATOM 0 HE2 HIS A 100 8.636 12.904 11.918 1.00 0.00 H new ATOM 1547 N SER A 101 7.179 8.265 7.248 1.00 0.00 N ATOM 1548 CA SER A 101 6.137 7.333 7.694 1.00 0.00 C ATOM 1549 C SER A 101 5.272 6.951 6.489 1.00 0.00 C ATOM 1550 O SER A 101 5.395 7.577 5.432 1.00 0.00 O ATOM 1551 CB SER A 101 5.276 8.006 8.780 1.00 0.00 C ATOM 1552 OG SER A 101 5.913 7.952 10.045 1.00 0.00 O ATOM 0 H SER A 101 7.057 8.550 6.276 1.00 0.00 H new ATOM 0 HA SER A 101 6.589 6.435 8.115 1.00 0.00 H new ATOM 0 HB2 SER A 101 5.089 9.045 8.508 1.00 0.00 H new ATOM 0 HB3 SER A 101 4.306 7.512 8.837 1.00 0.00 H new ATOM 0 HG SER A 101 6.879 7.847 9.920 1.00 0.00 H new ATOM 1558 N VAL A 102 4.384 5.960 6.644 1.00 0.00 N ATOM 1559 CA VAL A 102 3.390 5.618 5.623 1.00 0.00 C ATOM 1560 C VAL A 102 2.507 6.836 5.364 1.00 0.00 C ATOM 1561 O VAL A 102 2.274 7.172 4.210 1.00 0.00 O ATOM 1562 CB VAL A 102 2.572 4.374 6.035 1.00 0.00 C ATOM 1563 CG1 VAL A 102 1.383 4.092 5.095 1.00 0.00 C ATOM 1564 CG2 VAL A 102 3.500 3.152 6.078 1.00 0.00 C ATOM 0 H VAL A 102 4.336 5.376 7.479 1.00 0.00 H new ATOM 0 HA VAL A 102 3.893 5.353 4.693 1.00 0.00 H new ATOM 0 HB VAL A 102 2.151 4.576 7.020 1.00 0.00 H new ATOM 0 HG11 VAL A 102 0.849 3.206 5.439 1.00 0.00 H new ATOM 0 HG12 VAL A 102 0.707 4.947 5.097 1.00 0.00 H new ATOM 0 HG13 VAL A 102 1.751 3.924 4.083 1.00 0.00 H new ATOM 0 HG21 VAL A 102 2.928 2.271 6.368 1.00 0.00 H new ATOM 0 HG22 VAL A 102 3.937 2.992 5.092 1.00 0.00 H new ATOM 0 HG23 VAL A 102 4.295 3.324 6.804 1.00 0.00 H new ATOM 1574 N MET A 103 2.065 7.533 6.412 1.00 0.00 N ATOM 1575 CA MET A 103 1.307 8.772 6.308 1.00 0.00 C ATOM 1576 C MET A 103 1.994 9.705 5.309 1.00 0.00 C ATOM 1577 O MET A 103 1.412 10.109 4.306 1.00 0.00 O ATOM 1578 CB MET A 103 1.186 9.424 7.701 1.00 0.00 C ATOM 1579 CG MET A 103 -0.160 10.120 7.841 1.00 0.00 C ATOM 1580 SD MET A 103 -1.511 8.940 8.101 1.00 0.00 S ATOM 1581 CE MET A 103 -2.826 9.806 7.222 1.00 0.00 C ATOM 0 H MET A 103 2.230 7.242 7.376 1.00 0.00 H new ATOM 0 HA MET A 103 0.300 8.567 5.945 1.00 0.00 H new ATOM 0 HB2 MET A 103 1.294 8.665 8.476 1.00 0.00 H new ATOM 0 HB3 MET A 103 1.992 10.143 7.845 1.00 0.00 H new ATOM 0 HG2 MET A 103 -0.122 10.818 8.678 1.00 0.00 H new ATOM 0 HG3 MET A 103 -0.359 10.708 6.945 1.00 0.00 H new ATOM 0 HE1 MET A 103 -3.745 9.222 7.276 1.00 0.00 H new ATOM 0 HE2 MET A 103 -2.988 10.782 7.680 1.00 0.00 H new ATOM 0 HE3 MET A 103 -2.540 9.938 6.178 1.00 0.00 H new ATOM 1591 N ASP A 104 3.279 9.969 5.536 1.00 0.00 N ATOM 1592 CA ASP A 104 4.060 10.907 4.742 1.00 0.00 C ATOM 1593 C ASP A 104 4.197 10.457 3.285 1.00 0.00 C ATOM 1594 O ASP A 104 4.329 11.285 2.384 1.00 0.00 O ATOM 1595 CB ASP A 104 5.454 11.056 5.362 1.00 0.00 C ATOM 1596 CG ASP A 104 5.768 12.522 5.609 1.00 0.00 C ATOM 1597 OD1 ASP A 104 6.230 13.195 4.670 1.00 0.00 O ATOM 1598 OD2 ASP A 104 5.644 12.996 6.759 1.00 0.00 O ATOM 0 H ASP A 104 3.811 9.530 6.287 1.00 0.00 H new ATOM 0 HA ASP A 104 3.535 11.862 4.744 1.00 0.00 H new ATOM 0 HB2 ASP A 104 5.503 10.504 6.300 1.00 0.00 H new ATOM 0 HB3 ASP A 104 6.203 10.624 4.698 1.00 0.00 H new ATOM 1603 N ALA A 105 4.180 9.143 3.050 1.00 0.00 N ATOM 1604 CA ALA A 105 4.198 8.542 1.727 1.00 0.00 C ATOM 1605 C ALA A 105 2.871 8.799 1.005 1.00 0.00 C ATOM 1606 O ALA A 105 2.873 9.244 -0.136 1.00 0.00 O ATOM 1607 CB ALA A 105 4.490 7.044 1.862 1.00 0.00 C ATOM 0 H ALA A 105 4.153 8.453 3.801 1.00 0.00 H new ATOM 0 HA ALA A 105 4.985 8.995 1.124 1.00 0.00 H new ATOM 0 HB1 ALA A 105 4.505 6.586 0.873 1.00 0.00 H new ATOM 0 HB2 ALA A 105 5.459 6.904 2.342 1.00 0.00 H new ATOM 0 HB3 ALA A 105 3.714 6.575 2.467 1.00 0.00 H new ATOM 1613 N ILE A 106 1.735 8.549 1.658 1.00 0.00 N ATOM 1614 CA ILE A 106 0.398 8.777 1.096 1.00 0.00 C ATOM 1615 C ILE A 106 0.233 10.264 0.735 1.00 0.00 C ATOM 1616 O ILE A 106 -0.468 10.604 -0.224 1.00 0.00 O ATOM 1617 CB ILE A 106 -0.664 8.313 2.119 1.00 0.00 C ATOM 1618 CG1 ILE A 106 -0.505 6.827 2.500 1.00 0.00 C ATOM 1619 CG2 ILE A 106 -2.115 8.603 1.697 1.00 0.00 C ATOM 1620 CD1 ILE A 106 -1.004 5.785 1.506 1.00 0.00 C ATOM 0 H ILE A 106 1.715 8.176 2.607 1.00 0.00 H new ATOM 0 HA ILE A 106 0.266 8.200 0.181 1.00 0.00 H new ATOM 0 HB ILE A 106 -0.468 8.921 3.002 1.00 0.00 H new ATOM 0 HG12 ILE A 106 0.553 6.638 2.681 1.00 0.00 H new ATOM 0 HG13 ILE A 106 -1.024 6.665 3.445 1.00 0.00 H new ATOM 0 HG21 ILE A 106 -2.797 8.246 2.469 1.00 0.00 H new ATOM 0 HG22 ILE A 106 -2.247 9.677 1.564 1.00 0.00 H new ATOM 0 HG23 ILE A 106 -2.330 8.092 0.759 1.00 0.00 H new ATOM 0 HD11 ILE A 106 -0.827 4.787 1.906 1.00 0.00 H new ATOM 0 HD12 ILE A 106 -2.072 5.925 1.338 1.00 0.00 H new ATOM 0 HD13 ILE A 106 -0.470 5.897 0.562 1.00 0.00 H new ATOM 1632 N ASP A 107 0.871 11.154 1.504 1.00 0.00 N ATOM 1633 CA ASP A 107 0.887 12.587 1.233 1.00 0.00 C ATOM 1634 C ASP A 107 1.705 12.883 -0.020 1.00 0.00 C ATOM 1635 O ASP A 107 1.198 13.541 -0.927 1.00 0.00 O ATOM 1636 CB ASP A 107 1.398 13.376 2.442 1.00 0.00 C ATOM 1637 CG ASP A 107 0.812 14.791 2.472 1.00 0.00 C ATOM 1638 OD1 ASP A 107 -0.430 14.929 2.376 1.00 0.00 O ATOM 1639 OD2 ASP A 107 1.577 15.766 2.646 1.00 0.00 O ATOM 0 H ASP A 107 1.395 10.892 2.339 1.00 0.00 H new ATOM 0 HA ASP A 107 -0.137 12.913 1.050 1.00 0.00 H new ATOM 0 HB2 ASP A 107 1.133 12.851 3.360 1.00 0.00 H new ATOM 0 HB3 ASP A 107 2.486 13.431 2.409 1.00 0.00 H new ATOM 1644 N PHE A 108 2.928 12.342 -0.086 1.00 0.00 N ATOM 1645 CA PHE A 108 3.862 12.466 -1.205 1.00 0.00 C ATOM 1646 C PHE A 108 3.217 12.013 -2.512 1.00 0.00 C ATOM 1647 O PHE A 108 3.076 12.820 -3.420 1.00 0.00 O ATOM 1648 CB PHE A 108 5.152 11.677 -0.914 1.00 0.00 C ATOM 1649 CG PHE A 108 6.248 11.735 -1.971 1.00 0.00 C ATOM 1650 CD1 PHE A 108 6.591 12.953 -2.596 1.00 0.00 C ATOM 1651 CD2 PHE A 108 6.970 10.567 -2.296 1.00 0.00 C ATOM 1652 CE1 PHE A 108 7.636 12.997 -3.534 1.00 0.00 C ATOM 1653 CE2 PHE A 108 8.028 10.614 -3.223 1.00 0.00 C ATOM 1654 CZ PHE A 108 8.360 11.832 -3.843 1.00 0.00 C ATOM 0 H PHE A 108 3.308 11.781 0.676 1.00 0.00 H new ATOM 0 HA PHE A 108 4.125 13.518 -1.320 1.00 0.00 H new ATOM 0 HB2 PHE A 108 5.567 12.040 0.026 1.00 0.00 H new ATOM 0 HB3 PHE A 108 4.883 10.632 -0.761 1.00 0.00 H new ATOM 0 HD1 PHE A 108 6.048 13.854 -2.352 1.00 0.00 H new ATOM 0 HD2 PHE A 108 6.708 9.629 -1.829 1.00 0.00 H new ATOM 0 HE1 PHE A 108 7.884 13.929 -4.020 1.00 0.00 H new ATOM 0 HE2 PHE A 108 8.583 9.718 -3.457 1.00 0.00 H new ATOM 0 HZ PHE A 108 9.170 11.872 -4.556 1.00 0.00 H new ATOM 1664 N LEU A 109 2.790 10.752 -2.614 1.00 0.00 N ATOM 1665 CA LEU A 109 2.175 10.188 -3.801 1.00 0.00 C ATOM 1666 C LEU A 109 0.999 11.033 -4.316 1.00 0.00 C ATOM 1667 O LEU A 109 0.899 11.256 -5.519 1.00 0.00 O ATOM 1668 CB LEU A 109 1.775 8.733 -3.500 1.00 0.00 C ATOM 1669 CG LEU A 109 2.956 7.740 -3.592 1.00 0.00 C ATOM 1670 CD1 LEU A 109 4.021 7.745 -2.491 1.00 0.00 C ATOM 1671 CD2 LEU A 109 2.423 6.308 -3.692 1.00 0.00 C ATOM 0 H LEU A 109 2.868 10.083 -1.848 1.00 0.00 H new ATOM 0 HA LEU A 109 2.898 10.197 -4.617 1.00 0.00 H new ATOM 0 HB2 LEU A 109 1.344 8.682 -2.500 1.00 0.00 H new ATOM 0 HB3 LEU A 109 0.997 8.426 -4.199 1.00 0.00 H new ATOM 0 HG LEU A 109 3.475 8.101 -4.480 1.00 0.00 H new ATOM 0 HD11 LEU A 109 4.775 6.989 -2.710 1.00 0.00 H new ATOM 0 HD12 LEU A 109 4.494 8.726 -2.446 1.00 0.00 H new ATOM 0 HD13 LEU A 109 3.554 7.523 -1.532 1.00 0.00 H new ATOM 0 HD21 LEU A 109 3.259 5.612 -3.757 1.00 0.00 H new ATOM 0 HD22 LEU A 109 1.828 6.079 -2.808 1.00 0.00 H new ATOM 0 HD23 LEU A 109 1.802 6.212 -4.583 1.00 0.00 H new ATOM 1683 N ASN A 110 0.146 11.562 -3.430 1.00 0.00 N ATOM 1684 CA ASN A 110 -0.948 12.445 -3.851 1.00 0.00 C ATOM 1685 C ASN A 110 -0.457 13.829 -4.286 1.00 0.00 C ATOM 1686 O ASN A 110 -1.126 14.504 -5.069 1.00 0.00 O ATOM 1687 CB ASN A 110 -1.982 12.621 -2.726 1.00 0.00 C ATOM 1688 CG ASN A 110 -3.051 11.543 -2.760 1.00 0.00 C ATOM 1689 OD1 ASN A 110 -3.987 11.619 -3.547 1.00 0.00 O ATOM 1690 ND2 ASN A 110 -2.941 10.506 -1.948 1.00 0.00 N ATOM 0 H ASN A 110 0.191 11.396 -2.425 1.00 0.00 H new ATOM 0 HA ASN A 110 -1.409 11.958 -4.710 1.00 0.00 H new ATOM 0 HB2 ASN A 110 -1.475 12.598 -1.761 1.00 0.00 H new ATOM 0 HB3 ASN A 110 -2.452 13.600 -2.816 1.00 0.00 H new ATOM 0 HD21 ASN A 110 -3.638 9.762 -1.974 1.00 0.00 H new ATOM 0 HD22 ASN A 110 -2.159 10.450 -1.296 1.00 0.00 H new ATOM 1697 N ALA A 111 0.664 14.305 -3.742 1.00 0.00 N ATOM 1698 CA ALA A 111 1.263 15.577 -4.120 1.00 0.00 C ATOM 1699 C ALA A 111 2.003 15.468 -5.456 1.00 0.00 C ATOM 1700 O ALA A 111 2.112 16.471 -6.156 1.00 0.00 O ATOM 1701 CB ALA A 111 2.231 16.034 -3.028 1.00 0.00 C ATOM 0 H ALA A 111 1.184 13.809 -3.018 1.00 0.00 H new ATOM 0 HA ALA A 111 0.464 16.309 -4.235 1.00 0.00 H new ATOM 0 HB1 ALA A 111 2.678 16.986 -3.313 1.00 0.00 H new ATOM 0 HB2 ALA A 111 1.690 16.154 -2.089 1.00 0.00 H new ATOM 0 HB3 ALA A 111 3.016 15.288 -2.902 1.00 0.00 H new ATOM 1707 N LEU A 112 2.502 14.280 -5.812 1.00 0.00 N ATOM 1708 CA LEU A 112 3.221 14.046 -7.060 1.00 0.00 C ATOM 1709 C LEU A 112 2.277 14.259 -8.235 1.00 0.00 C ATOM 1710 O LEU A 112 2.593 15.037 -9.134 1.00 0.00 O ATOM 1711 CB LEU A 112 3.815 12.624 -7.107 1.00 0.00 C ATOM 1712 CG LEU A 112 5.100 12.437 -6.281 1.00 0.00 C ATOM 1713 CD1 LEU A 112 5.493 10.957 -6.262 1.00 0.00 C ATOM 1714 CD2 LEU A 112 6.259 13.273 -6.838 1.00 0.00 C ATOM 0 H LEU A 112 2.415 13.446 -5.231 1.00 0.00 H new ATOM 0 HA LEU A 112 4.048 14.753 -7.120 1.00 0.00 H new ATOM 0 HB2 LEU A 112 3.064 11.919 -6.750 1.00 0.00 H new ATOM 0 HB3 LEU A 112 4.026 12.367 -8.145 1.00 0.00 H new ATOM 0 HG LEU A 112 4.897 12.780 -5.266 1.00 0.00 H new ATOM 0 HD11 LEU A 112 6.403 10.830 -5.676 1.00 0.00 H new ATOM 0 HD12 LEU A 112 4.689 10.373 -5.815 1.00 0.00 H new ATOM 0 HD13 LEU A 112 5.667 10.614 -7.282 1.00 0.00 H new ATOM 0 HD21 LEU A 112 7.148 13.114 -6.228 1.00 0.00 H new ATOM 0 HD22 LEU A 112 6.465 12.971 -7.865 1.00 0.00 H new ATOM 0 HD23 LEU A 112 5.989 14.329 -6.817 1.00 0.00 H new ATOM 1726 N GLU A 113 1.132 13.573 -8.214 1.00 0.00 N ATOM 1727 CA GLU A 113 0.150 13.610 -9.290 1.00 0.00 C ATOM 1728 C GLU A 113 -0.331 15.043 -9.535 1.00 0.00 C ATOM 1729 O GLU A 113 -0.649 15.795 -8.599 1.00 0.00 O ATOM 1730 CB GLU A 113 -1.039 12.682 -8.958 1.00 0.00 C ATOM 1731 CG GLU A 113 -1.165 11.484 -9.912 1.00 0.00 C ATOM 1732 CD GLU A 113 -1.768 11.846 -11.276 1.00 0.00 C ATOM 1733 OE1 GLU A 113 -1.419 12.896 -11.849 1.00 0.00 O ATOM 1734 OE2 GLU A 113 -2.635 11.091 -11.778 1.00 0.00 O ATOM 0 H GLU A 113 0.861 12.970 -7.437 1.00 0.00 H new ATOM 0 HA GLU A 113 0.623 13.253 -10.205 1.00 0.00 H new ATOM 0 HB2 GLU A 113 -0.929 12.314 -7.938 1.00 0.00 H new ATOM 0 HB3 GLU A 113 -1.962 13.261 -8.990 1.00 0.00 H new ATOM 0 HG2 GLU A 113 -0.178 11.046 -10.065 1.00 0.00 H new ATOM 0 HG3 GLU A 113 -1.783 10.719 -9.442 1.00 0.00 H new ATOM 1741 N GLY A 114 -0.436 15.423 -10.803 1.00 0.00 N ATOM 1742 CA GLY A 114 -1.087 16.636 -11.243 1.00 0.00 C ATOM 1743 C GLY A 114 -0.570 17.031 -12.598 1.00 0.00 C ATOM 1744 O GLY A 114 -0.364 18.248 -12.775 1.00 0.00 O ATOM 0 H GLY A 114 -0.056 14.872 -11.573 1.00 0.00 H new ATOM 0 HA2 GLY A 114 -2.166 16.485 -11.285 1.00 0.00 H new ATOM 0 HA3 GLY A 114 -0.905 17.437 -10.527 1.00 0.00 H new TER 1748 GLY A 114