USER MOD reduce.3.24.130724 H: found=0, std=0, add=786, rem=0, adj=28 USER MOD reduce.3.24.130724 removed 785 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 11 HIS : no HD1:sc= 0.978 K(o=0.98,f=-4!) USER MOD Set 1.2: A 81 TYR OH : rot 130:sc= 0 USER MOD Set 2.1: A 26 ASN : amide:sc= 0.876 K(o=1.6,f=0) USER MOD Set 2.2: A 54 GLN : amide:sc= 0.773 K(o=1.6,f=-0.12) USER MOD Set 3.1: A 25 THR OG1 : rot -74:sc= 2 USER MOD Set 3.2: A 27 SER OG : rot -109:sc= 1.23 USER MOD Set 4.1: A 20 ASN : amide:sc= 0.497 K(o=0.54,f=-4.3!) USER MOD Set 4.2: A 24 TYR OH : rot 180:sc= 0.0393 USER MOD Single : A 1 SER N :NH3+ 137:sc= 0.03 (180deg=0) USER MOD Single : A 1 SER OG : rot 180:sc= 0.00243 USER MOD Single : A 3 SER OG : rot 180:sc= 0 USER MOD Single : A 7 SER OG : rot 180:sc= 0 USER MOD Single : A 8 SER OG : rot 180:sc= 0.0127 USER MOD Single : A 10 ASN : amide:sc= 1.09 K(o=1.1,f=-4!) USER MOD Single : A 28 THR OG1 : rot 180:sc= 0 USER MOD Single : A 30 GLN : amide:sc= 0 X(o=0,f=-0.45) USER MOD Single : A 31 GLN : amide:sc= 0.302 K(o=0.3,f=-4.4!) USER MOD Single : A 36 MET CE :methyl -178:sc= -0.162 (180deg=-0.176) USER MOD Single : A 38 SER OG : rot 77:sc= 1.19 USER MOD Single : A 39 THR OG1 : rot -82:sc= 1.19 USER MOD Single : A 49 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 52 SER OG : rot 180:sc= 0 USER MOD Single : A 53 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 55 THR OG1 : rot -28:sc= 0.0985 USER MOD Single : A 56 SER OG : rot 180:sc= 0 USER MOD Single : A 59 SER OG : rot 180:sc= 0 USER MOD Single : A 62 SER OG : rot 180:sc= 0 USER MOD Single : A 63 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 67 SER OG : rot 180:sc= 0 USER MOD Single : A 70 SER OG : rot 180:sc= 0.00437 USER MOD Single : A 72 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 75 SER OG : rot 180:sc= 0 USER MOD Single : A 77 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 79 MET CE :methyl -178:sc= 0 (180deg=-0.0181) USER MOD Single : A 83 SER OG : rot 180:sc= 0 USER MOD Single : A 85 SER OG : rot 180:sc= 0 USER MOD Single : A 86 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 87 GLN : amide:sc= 0.961 K(o=0.96,f=-0.48) USER MOD Single : A 90 ASN : amide:sc= 1.07 K(o=1.1,f=0) USER MOD Single : A 97 SER OG : rot 180:sc= -0.244 USER MOD Single : A 99 SER OG : rot 180:sc= 0 USER MOD Single : A 100 THR OG1 : rot -130:sc= 0.811 USER MOD Single : A 102 GLN : amide:sc= 1.17 K(o=1.2,f=-0.37) USER MOD Single : A 103 SER OG : rot 180:sc= 0 USER MOD ----------------------------------------------------------------- ATOM 1 N SER A 1 9.136 -23.242 -4.821 1.00 0.00 N ATOM 2 CA SER A 1 7.702 -22.845 -4.840 1.00 0.00 C ATOM 3 C SER A 1 7.480 -21.525 -5.587 1.00 0.00 C ATOM 4 O SER A 1 8.372 -20.676 -5.628 1.00 0.00 O ATOM 5 CB SER A 1 7.128 -22.759 -3.415 1.00 0.00 C ATOM 6 OG SER A 1 7.333 -23.999 -2.752 1.00 0.00 O ATOM 0 H1 SER A 1 9.388 -23.586 -3.873 1.00 0.00 H new ATOM 0 H2 SER A 1 9.296 -23.998 -5.517 1.00 0.00 H new ATOM 0 H3 SER A 1 9.727 -22.420 -5.060 1.00 0.00 H new ATOM 0 HA SER A 1 7.167 -23.625 -5.382 1.00 0.00 H new ATOM 0 HB2 SER A 1 7.613 -21.954 -2.863 1.00 0.00 H new ATOM 0 HB3 SER A 1 6.064 -22.525 -3.452 1.00 0.00 H new ATOM 0 HG SER A 1 6.970 -23.948 -1.843 1.00 0.00 H new ATOM 14 N VAL A 2 6.286 -21.331 -6.172 1.00 0.00 N ATOM 15 CA VAL A 2 5.926 -20.103 -6.927 1.00 0.00 C ATOM 16 C VAL A 2 5.544 -18.920 -6.015 1.00 0.00 C ATOM 17 O VAL A 2 5.723 -17.758 -6.391 1.00 0.00 O ATOM 18 CB VAL A 2 4.833 -20.421 -7.971 1.00 0.00 C ATOM 19 CG1 VAL A 2 3.458 -20.706 -7.352 1.00 0.00 C ATOM 20 CG2 VAL A 2 4.680 -19.314 -9.020 1.00 0.00 C ATOM 0 H VAL A 2 5.535 -22.020 -6.138 1.00 0.00 H new ATOM 0 HA VAL A 2 6.819 -19.771 -7.457 1.00 0.00 H new ATOM 0 HB VAL A 2 5.186 -21.331 -8.455 1.00 0.00 H new ATOM 0 HG11 VAL A 2 2.740 -20.921 -8.144 1.00 0.00 H new ATOM 0 HG12 VAL A 2 3.530 -21.565 -6.685 1.00 0.00 H new ATOM 0 HG13 VAL A 2 3.125 -19.835 -6.788 1.00 0.00 H new ATOM 0 HG21 VAL A 2 3.899 -19.590 -9.728 1.00 0.00 H new ATOM 0 HG22 VAL A 2 4.410 -18.380 -8.527 1.00 0.00 H new ATOM 0 HG23 VAL A 2 5.623 -19.184 -9.552 1.00 0.00 H new ATOM 30 N SER A 3 5.054 -19.202 -4.803 1.00 0.00 N ATOM 31 CA SER A 3 4.710 -18.211 -3.772 1.00 0.00 C ATOM 32 C SER A 3 5.943 -17.567 -3.119 1.00 0.00 C ATOM 33 O SER A 3 7.045 -18.129 -3.109 1.00 0.00 O ATOM 34 CB SER A 3 3.798 -18.851 -2.713 1.00 0.00 C ATOM 35 OG SER A 3 4.392 -20.027 -2.173 1.00 0.00 O ATOM 0 H SER A 3 4.879 -20.160 -4.500 1.00 0.00 H new ATOM 0 HA SER A 3 4.176 -17.402 -4.270 1.00 0.00 H new ATOM 0 HB2 SER A 3 3.606 -18.136 -1.913 1.00 0.00 H new ATOM 0 HB3 SER A 3 2.834 -19.098 -3.159 1.00 0.00 H new ATOM 0 HG SER A 3 3.795 -20.416 -1.500 1.00 0.00 H new ATOM 41 N ILE A 4 5.742 -16.364 -2.566 1.00 0.00 N ATOM 42 CA ILE A 4 6.758 -15.508 -1.930 1.00 0.00 C ATOM 43 C ILE A 4 6.236 -14.878 -0.624 1.00 0.00 C ATOM 44 O ILE A 4 5.027 -14.795 -0.395 1.00 0.00 O ATOM 45 CB ILE A 4 7.286 -14.426 -2.917 1.00 0.00 C ATOM 46 CG1 ILE A 4 6.255 -13.786 -3.880 1.00 0.00 C ATOM 47 CG2 ILE A 4 8.415 -15.023 -3.774 1.00 0.00 C ATOM 48 CD1 ILE A 4 5.009 -13.187 -3.220 1.00 0.00 C ATOM 0 H ILE A 4 4.816 -15.936 -2.548 1.00 0.00 H new ATOM 0 HA ILE A 4 7.600 -16.147 -1.663 1.00 0.00 H new ATOM 0 HB ILE A 4 7.612 -13.619 -2.261 1.00 0.00 H new ATOM 0 HG12 ILE A 4 6.755 -13.001 -4.448 1.00 0.00 H new ATOM 0 HG13 ILE A 4 5.935 -14.544 -4.596 1.00 0.00 H new ATOM 0 HG21 ILE A 4 8.786 -14.266 -4.466 1.00 0.00 H new ATOM 0 HG22 ILE A 4 9.228 -15.352 -3.127 1.00 0.00 H new ATOM 0 HG23 ILE A 4 8.033 -15.874 -4.338 1.00 0.00 H new ATOM 0 HD11 ILE A 4 4.357 -12.767 -3.986 1.00 0.00 H new ATOM 0 HD12 ILE A 4 4.475 -13.966 -2.677 1.00 0.00 H new ATOM 0 HD13 ILE A 4 5.307 -12.400 -2.527 1.00 0.00 H new ATOM 60 N LEU A 5 7.151 -14.426 0.246 1.00 0.00 N ATOM 61 CA LEU A 5 6.808 -13.817 1.544 1.00 0.00 C ATOM 62 C LEU A 5 6.310 -12.362 1.415 1.00 0.00 C ATOM 63 O LEU A 5 5.495 -11.919 2.230 1.00 0.00 O ATOM 64 CB LEU A 5 8.022 -13.897 2.491 1.00 0.00 C ATOM 65 CG LEU A 5 8.510 -15.322 2.829 1.00 0.00 C ATOM 66 CD1 LEU A 5 9.732 -15.239 3.742 1.00 0.00 C ATOM 67 CD2 LEU A 5 7.444 -16.160 3.536 1.00 0.00 C ATOM 0 H LEU A 5 8.155 -14.472 0.070 1.00 0.00 H new ATOM 0 HA LEU A 5 5.977 -14.386 1.961 1.00 0.00 H new ATOM 0 HB2 LEU A 5 8.848 -13.346 2.041 1.00 0.00 H new ATOM 0 HB3 LEU A 5 7.769 -13.388 3.421 1.00 0.00 H new ATOM 0 HG LEU A 5 8.750 -15.806 1.882 1.00 0.00 H new ATOM 0 HD11 LEU A 5 10.077 -16.245 3.981 1.00 0.00 H new ATOM 0 HD12 LEU A 5 10.528 -14.693 3.236 1.00 0.00 H new ATOM 0 HD13 LEU A 5 9.464 -14.719 4.662 1.00 0.00 H new ATOM 0 HD21 LEU A 5 7.843 -17.152 3.749 1.00 0.00 H new ATOM 0 HD22 LEU A 5 7.160 -15.675 4.470 1.00 0.00 H new ATOM 0 HD23 LEU A 5 6.568 -16.252 2.894 1.00 0.00 H new ATOM 79 N ARG A 6 6.773 -11.630 0.388 1.00 0.00 N ATOM 80 CA ARG A 6 6.358 -10.249 0.057 1.00 0.00 C ATOM 81 C ARG A 6 6.501 -9.918 -1.436 1.00 0.00 C ATOM 82 O ARG A 6 7.360 -10.470 -2.126 1.00 0.00 O ATOM 83 CB ARG A 6 7.144 -9.224 0.905 1.00 0.00 C ATOM 84 CG ARG A 6 8.671 -9.440 0.907 1.00 0.00 C ATOM 85 CD ARG A 6 9.438 -8.165 1.279 1.00 0.00 C ATOM 86 NE ARG A 6 9.528 -7.241 0.125 1.00 0.00 N ATOM 87 CZ ARG A 6 10.431 -7.252 -0.841 1.00 0.00 C ATOM 88 NH1 ARG A 6 11.415 -8.106 -0.878 1.00 0.00 N ATOM 89 NH2 ARG A 6 10.347 -6.384 -1.805 1.00 0.00 N ATOM 0 H ARG A 6 7.472 -11.993 -0.260 1.00 0.00 H new ATOM 0 HA ARG A 6 5.297 -10.183 0.297 1.00 0.00 H new ATOM 0 HB2 ARG A 6 6.931 -8.222 0.532 1.00 0.00 H new ATOM 0 HB3 ARG A 6 6.782 -9.266 1.932 1.00 0.00 H new ATOM 0 HG2 ARG A 6 8.923 -10.232 1.612 1.00 0.00 H new ATOM 0 HG3 ARG A 6 8.989 -9.778 -0.079 1.00 0.00 H new ATOM 0 HD2 ARG A 6 8.939 -7.666 2.110 1.00 0.00 H new ATOM 0 HD3 ARG A 6 10.440 -8.426 1.619 1.00 0.00 H new ATOM 0 HE ARG A 6 8.814 -6.515 0.069 1.00 0.00 H new ATOM 0 HH11 ARG A 6 11.512 -8.804 -0.141 1.00 0.00 H new ATOM 0 HH12 ARG A 6 12.088 -8.076 -1.644 1.00 0.00 H new ATOM 0 HH21 ARG A 6 9.589 -5.702 -1.812 1.00 0.00 H new ATOM 0 HH22 ARG A 6 11.039 -6.385 -2.554 1.00 0.00 H new ATOM 103 N SER A 7 5.691 -8.967 -1.899 1.00 0.00 N ATOM 104 CA SER A 7 5.776 -8.328 -3.229 1.00 0.00 C ATOM 105 C SER A 7 5.844 -6.788 -3.167 1.00 0.00 C ATOM 106 O SER A 7 6.077 -6.134 -4.186 1.00 0.00 O ATOM 107 CB SER A 7 4.585 -8.781 -4.082 1.00 0.00 C ATOM 108 OG SER A 7 3.359 -8.417 -3.457 1.00 0.00 O ATOM 0 H SER A 7 4.921 -8.599 -1.340 1.00 0.00 H new ATOM 0 HA SER A 7 6.713 -8.649 -3.684 1.00 0.00 H new ATOM 0 HB2 SER A 7 4.645 -8.327 -5.071 1.00 0.00 H new ATOM 0 HB3 SER A 7 4.621 -9.861 -4.224 1.00 0.00 H new ATOM 0 HG SER A 7 2.608 -8.711 -4.014 1.00 0.00 H new ATOM 114 N SER A 8 5.674 -6.203 -1.975 1.00 0.00 N ATOM 115 CA SER A 8 5.673 -4.760 -1.702 1.00 0.00 C ATOM 116 C SER A 8 7.074 -4.204 -1.398 1.00 0.00 C ATOM 117 O SER A 8 8.024 -4.954 -1.153 1.00 0.00 O ATOM 118 CB SER A 8 4.700 -4.479 -0.547 1.00 0.00 C ATOM 119 OG SER A 8 5.008 -5.300 0.574 1.00 0.00 O ATOM 0 H SER A 8 5.525 -6.753 -1.129 1.00 0.00 H new ATOM 0 HA SER A 8 5.344 -4.243 -2.604 1.00 0.00 H new ATOM 0 HB2 SER A 8 4.757 -3.428 -0.263 1.00 0.00 H new ATOM 0 HB3 SER A 8 3.677 -4.666 -0.872 1.00 0.00 H new ATOM 0 HG SER A 8 4.381 -5.108 1.302 1.00 0.00 H new ATOM 125 N VAL A 9 7.209 -2.877 -1.420 1.00 0.00 N ATOM 126 CA VAL A 9 8.453 -2.116 -1.179 1.00 0.00 C ATOM 127 C VAL A 9 8.260 -1.029 -0.112 1.00 0.00 C ATOM 128 O VAL A 9 7.129 -0.728 0.273 1.00 0.00 O ATOM 129 CB VAL A 9 8.992 -1.513 -2.496 1.00 0.00 C ATOM 130 CG1 VAL A 9 9.508 -2.604 -3.441 1.00 0.00 C ATOM 131 CG2 VAL A 9 7.944 -0.679 -3.240 1.00 0.00 C ATOM 0 H VAL A 9 6.417 -2.265 -1.616 1.00 0.00 H new ATOM 0 HA VAL A 9 9.195 -2.816 -0.795 1.00 0.00 H new ATOM 0 HB VAL A 9 9.811 -0.857 -2.202 1.00 0.00 H new ATOM 0 HG11 VAL A 9 9.880 -2.146 -4.357 1.00 0.00 H new ATOM 0 HG12 VAL A 9 10.315 -3.153 -2.956 1.00 0.00 H new ATOM 0 HG13 VAL A 9 8.696 -3.290 -3.682 1.00 0.00 H new ATOM 0 HG21 VAL A 9 8.379 -0.281 -4.157 1.00 0.00 H new ATOM 0 HG22 VAL A 9 7.088 -1.307 -3.488 1.00 0.00 H new ATOM 0 HG23 VAL A 9 7.618 0.145 -2.606 1.00 0.00 H new ATOM 141 N ASN A 10 9.363 -0.447 0.373 1.00 0.00 N ATOM 142 CA ASN A 10 9.393 0.596 1.410 1.00 0.00 C ATOM 143 C ASN A 10 9.947 1.924 0.856 1.00 0.00 C ATOM 144 O ASN A 10 10.877 1.915 0.047 1.00 0.00 O ATOM 145 CB ASN A 10 10.234 0.049 2.587 1.00 0.00 C ATOM 146 CG ASN A 10 10.360 0.983 3.784 1.00 0.00 C ATOM 147 OD1 ASN A 10 9.612 1.928 3.976 1.00 0.00 O ATOM 148 ND2 ASN A 10 11.338 0.772 4.629 1.00 0.00 N ATOM 0 H ASN A 10 10.295 -0.698 0.043 1.00 0.00 H new ATOM 0 HA ASN A 10 8.385 0.826 1.756 1.00 0.00 H new ATOM 0 HB2 ASN A 10 9.792 -0.889 2.923 1.00 0.00 H new ATOM 0 HB3 ASN A 10 11.234 -0.183 2.221 1.00 0.00 H new ATOM 0 HD21 ASN A 10 11.463 1.392 5.429 1.00 0.00 H new ATOM 0 HD22 ASN A 10 11.974 -0.012 4.487 1.00 0.00 H new ATOM 155 N HIS A 11 9.461 3.071 1.350 1.00 0.00 N ATOM 156 CA HIS A 11 9.899 4.416 0.924 1.00 0.00 C ATOM 157 C HIS A 11 11.395 4.687 1.164 1.00 0.00 C ATOM 158 O HIS A 11 11.971 5.562 0.512 1.00 0.00 O ATOM 159 CB HIS A 11 9.000 5.483 1.571 1.00 0.00 C ATOM 160 CG HIS A 11 7.769 5.774 0.753 1.00 0.00 C ATOM 161 ND1 HIS A 11 7.757 6.547 -0.408 1.00 0.00 N ATOM 162 CD2 HIS A 11 6.506 5.314 0.990 1.00 0.00 C ATOM 163 CE1 HIS A 11 6.491 6.525 -0.855 1.00 0.00 C ATOM 164 NE2 HIS A 11 5.718 5.802 -0.029 1.00 0.00 N ATOM 0 H HIS A 11 8.739 3.095 2.070 1.00 0.00 H new ATOM 0 HA HIS A 11 9.785 4.467 -0.159 1.00 0.00 H new ATOM 0 HB2 HIS A 11 8.701 5.148 2.564 1.00 0.00 H new ATOM 0 HB3 HIS A 11 9.570 6.402 1.703 1.00 0.00 H new ATOM 0 HD2 HIS A 11 6.188 4.691 1.813 1.00 0.00 H new ATOM 0 HE1 HIS A 11 6.144 7.018 -1.751 1.00 0.00 H new ATOM 0 HE2 HIS A 11 4.717 5.641 -0.138 1.00 0.00 H new ATOM 172 N ARG A 12 12.048 3.881 2.015 1.00 0.00 N ATOM 173 CA ARG A 12 13.517 3.818 2.156 1.00 0.00 C ATOM 174 C ARG A 12 14.220 3.656 0.802 1.00 0.00 C ATOM 175 O ARG A 12 15.286 4.222 0.605 1.00 0.00 O ATOM 176 CB ARG A 12 13.860 2.626 3.075 1.00 0.00 C ATOM 177 CG ARG A 12 15.370 2.439 3.315 1.00 0.00 C ATOM 178 CD ARG A 12 15.640 1.283 4.287 1.00 0.00 C ATOM 179 NE ARG A 12 17.070 0.916 4.301 1.00 0.00 N ATOM 180 CZ ARG A 12 18.024 1.397 5.082 1.00 0.00 C ATOM 181 NH1 ARG A 12 17.803 2.310 5.982 1.00 0.00 N ATOM 182 NH2 ARG A 12 19.244 0.952 4.972 1.00 0.00 N ATOM 0 H ARG A 12 11.561 3.239 2.640 1.00 0.00 H new ATOM 0 HA ARG A 12 13.870 4.756 2.586 1.00 0.00 H new ATOM 0 HB2 ARG A 12 13.364 2.765 4.035 1.00 0.00 H new ATOM 0 HB3 ARG A 12 13.456 1.714 2.637 1.00 0.00 H new ATOM 0 HG2 ARG A 12 15.870 2.244 2.366 1.00 0.00 H new ATOM 0 HG3 ARG A 12 15.794 3.360 3.715 1.00 0.00 H new ATOM 0 HD2 ARG A 12 15.326 1.568 5.291 1.00 0.00 H new ATOM 0 HD3 ARG A 12 15.043 0.417 4.000 1.00 0.00 H new ATOM 0 HE ARG A 12 17.357 0.206 3.627 1.00 0.00 H new ATOM 0 HH11 ARG A 12 16.863 2.685 6.108 1.00 0.00 H new ATOM 0 HH12 ARG A 12 18.570 2.651 6.562 1.00 0.00 H new ATOM 0 HH21 ARG A 12 19.464 0.232 4.283 1.00 0.00 H new ATOM 0 HH22 ARG A 12 19.979 1.323 5.574 1.00 0.00 H new ATOM 196 N GLU A 13 13.621 2.939 -0.150 1.00 0.00 N ATOM 197 CA GLU A 13 14.164 2.777 -1.508 1.00 0.00 C ATOM 198 C GLU A 13 14.165 4.095 -2.304 1.00 0.00 C ATOM 199 O GLU A 13 15.105 4.372 -3.050 1.00 0.00 O ATOM 200 CB GLU A 13 13.337 1.693 -2.215 1.00 0.00 C ATOM 201 CG GLU A 13 13.925 1.275 -3.567 1.00 0.00 C ATOM 202 CD GLU A 13 13.114 0.112 -4.177 1.00 0.00 C ATOM 203 OE1 GLU A 13 13.403 -1.068 -3.855 1.00 0.00 O ATOM 204 OE2 GLU A 13 12.190 0.374 -4.984 1.00 0.00 O ATOM 0 H GLU A 13 12.738 2.449 -0.003 1.00 0.00 H new ATOM 0 HA GLU A 13 15.210 2.477 -1.445 1.00 0.00 H new ATOM 0 HB2 GLU A 13 13.268 0.818 -1.569 1.00 0.00 H new ATOM 0 HB3 GLU A 13 12.321 2.059 -2.365 1.00 0.00 H new ATOM 0 HG2 GLU A 13 13.921 2.125 -4.249 1.00 0.00 H new ATOM 0 HG3 GLU A 13 14.965 0.973 -3.440 1.00 0.00 H new ATOM 211 N VAL A 14 13.152 4.948 -2.103 1.00 0.00 N ATOM 212 CA VAL A 14 13.100 6.291 -2.713 1.00 0.00 C ATOM 213 C VAL A 14 14.104 7.224 -2.028 1.00 0.00 C ATOM 214 O VAL A 14 14.838 7.935 -2.712 1.00 0.00 O ATOM 215 CB VAL A 14 11.682 6.898 -2.692 1.00 0.00 C ATOM 216 CG1 VAL A 14 11.606 8.121 -3.620 1.00 0.00 C ATOM 217 CG2 VAL A 14 10.605 5.912 -3.162 1.00 0.00 C ATOM 0 H VAL A 14 12.346 4.732 -1.516 1.00 0.00 H new ATOM 0 HA VAL A 14 13.375 6.180 -3.762 1.00 0.00 H new ATOM 0 HB VAL A 14 11.493 7.169 -1.653 1.00 0.00 H new ATOM 0 HG11 VAL A 14 10.599 8.536 -3.593 1.00 0.00 H new ATOM 0 HG12 VAL A 14 12.319 8.875 -3.287 1.00 0.00 H new ATOM 0 HG13 VAL A 14 11.847 7.820 -4.639 1.00 0.00 H new ATOM 0 HG21 VAL A 14 9.629 6.395 -3.126 1.00 0.00 H new ATOM 0 HG22 VAL A 14 10.818 5.601 -4.185 1.00 0.00 H new ATOM 0 HG23 VAL A 14 10.602 5.038 -2.510 1.00 0.00 H new ATOM 227 N ASP A 15 14.205 7.183 -0.695 1.00 0.00 N ATOM 228 CA ASP A 15 15.244 7.930 0.030 1.00 0.00 C ATOM 229 C ASP A 15 16.668 7.507 -0.386 1.00 0.00 C ATOM 230 O ASP A 15 17.533 8.356 -0.604 1.00 0.00 O ATOM 231 CB ASP A 15 15.057 7.755 1.541 1.00 0.00 C ATOM 232 CG ASP A 15 16.098 8.584 2.313 1.00 0.00 C ATOM 233 OD1 ASP A 15 15.993 9.833 2.302 1.00 0.00 O ATOM 234 OD2 ASP A 15 17.027 8.011 2.926 1.00 0.00 O ATOM 0 H ASP A 15 13.582 6.642 -0.095 1.00 0.00 H new ATOM 0 HA ASP A 15 15.133 8.982 -0.232 1.00 0.00 H new ATOM 0 HB2 ASP A 15 14.052 8.065 1.827 1.00 0.00 H new ATOM 0 HB3 ASP A 15 15.153 6.702 1.806 1.00 0.00 H new ATOM 239 N GLU A 16 16.894 6.203 -0.582 1.00 0.00 N ATOM 240 CA GLU A 16 18.137 5.659 -1.126 1.00 0.00 C ATOM 241 C GLU A 16 18.401 6.145 -2.560 1.00 0.00 C ATOM 242 O GLU A 16 19.534 6.503 -2.868 1.00 0.00 O ATOM 243 CB GLU A 16 18.103 4.121 -1.057 1.00 0.00 C ATOM 244 CG GLU A 16 19.345 3.480 -1.684 1.00 0.00 C ATOM 245 CD GLU A 16 19.341 1.956 -1.457 1.00 0.00 C ATOM 246 OE1 GLU A 16 18.743 1.217 -2.278 1.00 0.00 O ATOM 247 OE2 GLU A 16 19.940 1.488 -0.460 1.00 0.00 O ATOM 0 H GLU A 16 16.203 5.485 -0.362 1.00 0.00 H new ATOM 0 HA GLU A 16 18.964 6.025 -0.517 1.00 0.00 H new ATOM 0 HB2 GLU A 16 18.023 3.809 -0.016 1.00 0.00 H new ATOM 0 HB3 GLU A 16 17.212 3.757 -1.569 1.00 0.00 H new ATOM 0 HG2 GLU A 16 19.371 3.694 -2.752 1.00 0.00 H new ATOM 0 HG3 GLU A 16 20.245 3.916 -1.249 1.00 0.00 H new ATOM 254 N ALA A 17 17.392 6.209 -3.434 1.00 0.00 N ATOM 255 CA ALA A 17 17.573 6.731 -4.791 1.00 0.00 C ATOM 256 C ALA A 17 17.985 8.219 -4.787 1.00 0.00 C ATOM 257 O ALA A 17 18.912 8.607 -5.506 1.00 0.00 O ATOM 258 CB ALA A 17 16.286 6.494 -5.591 1.00 0.00 C ATOM 0 H ALA A 17 16.441 5.905 -3.225 1.00 0.00 H new ATOM 0 HA ALA A 17 18.393 6.197 -5.271 1.00 0.00 H new ATOM 0 HB1 ALA A 17 16.411 6.879 -6.603 1.00 0.00 H new ATOM 0 HB2 ALA A 17 16.075 5.425 -5.633 1.00 0.00 H new ATOM 0 HB3 ALA A 17 15.456 7.009 -5.106 1.00 0.00 H new ATOM 264 N ILE A 18 17.359 9.038 -3.927 1.00 0.00 N ATOM 265 CA ILE A 18 17.767 10.440 -3.710 1.00 0.00 C ATOM 266 C ILE A 18 19.213 10.515 -3.199 1.00 0.00 C ATOM 267 O ILE A 18 20.021 11.240 -3.775 1.00 0.00 O ATOM 268 CB ILE A 18 16.784 11.158 -2.751 1.00 0.00 C ATOM 269 CG1 ILE A 18 15.358 11.289 -3.332 1.00 0.00 C ATOM 270 CG2 ILE A 18 17.301 12.551 -2.337 1.00 0.00 C ATOM 271 CD1 ILE A 18 15.248 12.055 -4.657 1.00 0.00 C ATOM 0 H ILE A 18 16.559 8.751 -3.363 1.00 0.00 H new ATOM 0 HA ILE A 18 17.730 10.960 -4.667 1.00 0.00 H new ATOM 0 HB ILE A 18 16.727 10.521 -1.869 1.00 0.00 H new ATOM 0 HG12 ILE A 18 14.951 10.288 -3.477 1.00 0.00 H new ATOM 0 HG13 ILE A 18 14.728 11.785 -2.593 1.00 0.00 H new ATOM 0 HG21 ILE A 18 16.583 13.021 -1.665 1.00 0.00 H new ATOM 0 HG22 ILE A 18 18.260 12.447 -1.829 1.00 0.00 H new ATOM 0 HG23 ILE A 18 17.426 13.171 -3.225 1.00 0.00 H new ATOM 0 HD11 ILE A 18 14.205 12.087 -4.973 1.00 0.00 H new ATOM 0 HD12 ILE A 18 15.617 13.072 -4.521 1.00 0.00 H new ATOM 0 HD13 ILE A 18 15.843 11.552 -5.419 1.00 0.00 H new ATOM 283 N ASP A 19 19.568 9.729 -2.182 1.00 0.00 N ATOM 284 CA ASP A 19 20.929 9.667 -1.636 1.00 0.00 C ATOM 285 C ASP A 19 21.969 9.172 -2.665 1.00 0.00 C ATOM 286 O ASP A 19 23.101 9.656 -2.690 1.00 0.00 O ATOM 287 CB ASP A 19 20.904 8.766 -0.397 1.00 0.00 C ATOM 288 CG ASP A 19 22.300 8.586 0.211 1.00 0.00 C ATOM 289 OD1 ASP A 19 22.811 9.528 0.862 1.00 0.00 O ATOM 290 OD2 ASP A 19 22.888 7.492 0.029 1.00 0.00 O ATOM 0 H ASP A 19 18.912 9.109 -1.707 1.00 0.00 H new ATOM 0 HA ASP A 19 21.244 10.676 -1.369 1.00 0.00 H new ATOM 0 HB2 ASP A 19 20.236 9.195 0.350 1.00 0.00 H new ATOM 0 HB3 ASP A 19 20.497 7.791 -0.666 1.00 0.00 H new ATOM 295 N ASN A 20 21.593 8.254 -3.561 1.00 0.00 N ATOM 296 CA ASN A 20 22.482 7.751 -4.606 1.00 0.00 C ATOM 297 C ASN A 20 22.732 8.798 -5.703 1.00 0.00 C ATOM 298 O ASN A 20 23.880 8.993 -6.088 1.00 0.00 O ATOM 299 CB ASN A 20 21.936 6.414 -5.144 1.00 0.00 C ATOM 300 CG ASN A 20 23.030 5.581 -5.794 1.00 0.00 C ATOM 301 OD1 ASN A 20 24.051 5.283 -5.185 1.00 0.00 O ATOM 302 ND2 ASN A 20 22.855 5.148 -7.020 1.00 0.00 N ATOM 0 H ASN A 20 20.661 7.840 -3.580 1.00 0.00 H new ATOM 0 HA ASN A 20 23.466 7.557 -4.178 1.00 0.00 H new ATOM 0 HB2 ASN A 20 21.486 5.850 -4.327 1.00 0.00 H new ATOM 0 HB3 ASN A 20 21.147 6.609 -5.870 1.00 0.00 H new ATOM 0 HD21 ASN A 20 23.567 4.566 -7.462 1.00 0.00 H new ATOM 0 HD22 ASN A 20 22.007 5.393 -7.531 1.00 0.00 H new ATOM 309 N ILE A 21 21.703 9.541 -6.136 1.00 0.00 N ATOM 310 CA ILE A 21 21.888 10.697 -7.038 1.00 0.00 C ATOM 311 C ILE A 21 22.736 11.788 -6.361 1.00 0.00 C ATOM 312 O ILE A 21 23.671 12.309 -6.968 1.00 0.00 O ATOM 313 CB ILE A 21 20.524 11.237 -7.534 1.00 0.00 C ATOM 314 CG1 ILE A 21 19.938 10.276 -8.592 1.00 0.00 C ATOM 315 CG2 ILE A 21 20.680 12.649 -8.134 1.00 0.00 C ATOM 316 CD1 ILE A 21 18.428 10.447 -8.796 1.00 0.00 C ATOM 0 H ILE A 21 20.732 9.365 -5.878 1.00 0.00 H new ATOM 0 HA ILE A 21 22.437 10.364 -7.919 1.00 0.00 H new ATOM 0 HB ILE A 21 19.844 11.299 -6.684 1.00 0.00 H new ATOM 0 HG12 ILE A 21 20.447 10.439 -9.542 1.00 0.00 H new ATOM 0 HG13 ILE A 21 20.143 9.248 -8.293 1.00 0.00 H new ATOM 0 HG21 ILE A 21 19.709 13.008 -8.476 1.00 0.00 H new ATOM 0 HG22 ILE A 21 21.071 13.326 -7.374 1.00 0.00 H new ATOM 0 HG23 ILE A 21 21.371 12.612 -8.977 1.00 0.00 H new ATOM 0 HD11 ILE A 21 18.081 9.742 -9.552 1.00 0.00 H new ATOM 0 HD12 ILE A 21 17.910 10.256 -7.856 1.00 0.00 H new ATOM 0 HD13 ILE A 21 18.218 11.465 -9.125 1.00 0.00 H new ATOM 328 N LEU A 22 22.448 12.102 -5.097 1.00 0.00 N ATOM 329 CA LEU A 22 23.180 13.089 -4.298 1.00 0.00 C ATOM 330 C LEU A 22 24.688 12.771 -4.234 1.00 0.00 C ATOM 331 O LEU A 22 25.525 13.647 -4.475 1.00 0.00 O ATOM 332 CB LEU A 22 22.518 13.083 -2.907 1.00 0.00 C ATOM 333 CG LEU A 22 23.100 14.069 -1.895 1.00 0.00 C ATOM 334 CD1 LEU A 22 22.738 15.502 -2.267 1.00 0.00 C ATOM 335 CD2 LEU A 22 22.520 13.790 -0.508 1.00 0.00 C ATOM 0 H LEU A 22 21.680 11.666 -4.587 1.00 0.00 H new ATOM 0 HA LEU A 22 23.126 14.081 -4.746 1.00 0.00 H new ATOM 0 HB2 LEU A 22 21.457 13.299 -3.029 1.00 0.00 H new ATOM 0 HB3 LEU A 22 22.593 12.078 -2.493 1.00 0.00 H new ATOM 0 HG LEU A 22 24.183 13.947 -1.896 1.00 0.00 H new ATOM 0 HD11 LEU A 22 23.163 16.187 -1.533 1.00 0.00 H new ATOM 0 HD12 LEU A 22 23.138 15.734 -3.254 1.00 0.00 H new ATOM 0 HD13 LEU A 22 21.654 15.612 -2.281 1.00 0.00 H new ATOM 0 HD21 LEU A 22 22.938 14.496 0.210 1.00 0.00 H new ATOM 0 HD22 LEU A 22 21.436 13.902 -0.538 1.00 0.00 H new ATOM 0 HD23 LEU A 22 22.772 12.773 -0.206 1.00 0.00 H new ATOM 347 N ARG A 23 25.037 11.498 -3.994 1.00 0.00 N ATOM 348 CA ARG A 23 26.428 11.012 -4.014 1.00 0.00 C ATOM 349 C ARG A 23 27.033 10.995 -5.423 1.00 0.00 C ATOM 350 O ARG A 23 28.141 11.497 -5.598 1.00 0.00 O ATOM 351 CB ARG A 23 26.503 9.620 -3.360 1.00 0.00 C ATOM 352 CG ARG A 23 26.462 9.695 -1.826 1.00 0.00 C ATOM 353 CD ARG A 23 26.607 8.314 -1.169 1.00 0.00 C ATOM 354 NE ARG A 23 25.378 7.505 -1.282 1.00 0.00 N ATOM 355 CZ ARG A 23 25.074 6.547 -2.134 1.00 0.00 C ATOM 356 NH1 ARG A 23 25.854 6.156 -3.101 1.00 0.00 N ATOM 357 NH2 ARG A 23 23.918 5.969 -2.016 1.00 0.00 N ATOM 0 H ARG A 23 24.357 10.769 -3.778 1.00 0.00 H new ATOM 0 HA ARG A 23 27.029 11.715 -3.437 1.00 0.00 H new ATOM 0 HB2 ARG A 23 25.673 9.009 -3.714 1.00 0.00 H new ATOM 0 HB3 ARG A 23 27.421 9.123 -3.673 1.00 0.00 H new ATOM 0 HG2 ARG A 23 27.262 10.347 -1.475 1.00 0.00 H new ATOM 0 HG3 ARG A 23 25.521 10.147 -1.512 1.00 0.00 H new ATOM 0 HD2 ARG A 23 27.435 7.779 -1.634 1.00 0.00 H new ATOM 0 HD3 ARG A 23 26.860 8.440 -0.116 1.00 0.00 H new ATOM 0 HE ARG A 23 24.654 7.720 -0.597 1.00 0.00 H new ATOM 0 HH11 ARG A 23 26.763 6.599 -3.234 1.00 0.00 H new ATOM 0 HH12 ARG A 23 25.556 5.407 -3.726 1.00 0.00 H new ATOM 0 HH21 ARG A 23 23.275 6.260 -1.279 1.00 0.00 H new ATOM 0 HH22 ARG A 23 23.652 5.224 -2.660 1.00 0.00 H new ATOM 371 N TYR A 24 26.320 10.492 -6.436 1.00 0.00 N ATOM 372 CA TYR A 24 26.821 10.436 -7.824 1.00 0.00 C ATOM 373 C TYR A 24 27.139 11.832 -8.389 1.00 0.00 C ATOM 374 O TYR A 24 28.110 11.991 -9.128 1.00 0.00 O ATOM 375 CB TYR A 24 25.787 9.748 -8.732 1.00 0.00 C ATOM 376 CG TYR A 24 25.698 8.227 -8.714 1.00 0.00 C ATOM 377 CD1 TYR A 24 26.267 7.439 -7.687 1.00 0.00 C ATOM 378 CD2 TYR A 24 25.023 7.591 -9.778 1.00 0.00 C ATOM 379 CE1 TYR A 24 26.158 6.035 -7.726 1.00 0.00 C ATOM 380 CE2 TYR A 24 24.917 6.188 -9.825 1.00 0.00 C ATOM 381 CZ TYR A 24 25.483 5.406 -8.795 1.00 0.00 C ATOM 382 OH TYR A 24 25.344 4.052 -8.799 1.00 0.00 O ATOM 0 H TYR A 24 25.380 10.111 -6.323 1.00 0.00 H new ATOM 0 HA TYR A 24 27.748 9.863 -7.804 1.00 0.00 H new ATOM 0 HB2 TYR A 24 24.804 10.140 -8.471 1.00 0.00 H new ATOM 0 HB3 TYR A 24 25.991 10.056 -9.758 1.00 0.00 H new ATOM 0 HD1 TYR A 24 26.787 7.915 -6.869 1.00 0.00 H new ATOM 0 HD2 TYR A 24 24.583 8.187 -10.564 1.00 0.00 H new ATOM 0 HE1 TYR A 24 26.592 5.439 -6.937 1.00 0.00 H new ATOM 0 HE2 TYR A 24 24.404 5.711 -10.647 1.00 0.00 H new ATOM 0 HH TYR A 24 24.855 3.776 -9.602 1.00 0.00 H new ATOM 392 N THR A 25 26.344 12.842 -8.022 1.00 0.00 N ATOM 393 CA THR A 25 26.556 14.245 -8.431 1.00 0.00 C ATOM 394 C THR A 25 27.503 15.026 -7.504 1.00 0.00 C ATOM 395 O THR A 25 27.770 16.201 -7.762 1.00 0.00 O ATOM 396 CB THR A 25 25.222 14.990 -8.571 1.00 0.00 C ATOM 397 OG1 THR A 25 24.539 15.004 -7.343 1.00 0.00 O ATOM 398 CG2 THR A 25 24.284 14.376 -9.610 1.00 0.00 C ATOM 0 H THR A 25 25.526 12.713 -7.427 1.00 0.00 H new ATOM 0 HA THR A 25 27.046 14.192 -9.403 1.00 0.00 H new ATOM 0 HB THR A 25 25.486 15.996 -8.898 1.00 0.00 H new ATOM 0 HG1 THR A 25 24.165 14.115 -7.166 1.00 0.00 H new ATOM 0 HG21 THR A 25 23.361 14.955 -9.654 1.00 0.00 H new ATOM 0 HG22 THR A 25 24.767 14.387 -10.587 1.00 0.00 H new ATOM 0 HG23 THR A 25 24.054 13.348 -9.330 1.00 0.00 H new ATOM 406 N ASN A 26 28.015 14.390 -6.437 1.00 0.00 N ATOM 407 CA ASN A 26 28.910 14.984 -5.431 1.00 0.00 C ATOM 408 C ASN A 26 28.376 16.320 -4.864 1.00 0.00 C ATOM 409 O ASN A 26 29.133 17.265 -4.629 1.00 0.00 O ATOM 410 CB ASN A 26 30.357 15.052 -5.966 1.00 0.00 C ATOM 411 CG ASN A 26 30.905 13.693 -6.374 1.00 0.00 C ATOM 412 OD1 ASN A 26 31.372 12.916 -5.554 1.00 0.00 O ATOM 413 ND2 ASN A 26 30.879 13.365 -7.646 1.00 0.00 N ATOM 0 H ASN A 26 27.808 13.410 -6.245 1.00 0.00 H new ATOM 0 HA ASN A 26 28.931 14.324 -4.563 1.00 0.00 H new ATOM 0 HB2 ASN A 26 30.390 15.723 -6.824 1.00 0.00 H new ATOM 0 HB3 ASN A 26 31.002 15.482 -5.200 1.00 0.00 H new ATOM 0 HD21 ASN A 26 31.248 12.463 -7.948 1.00 0.00 H new ATOM 0 HD22 ASN A 26 30.490 14.012 -8.332 1.00 0.00 H new ATOM 420 N SER A 27 27.054 16.397 -4.681 1.00 0.00 N ATOM 421 CA SER A 27 26.326 17.641 -4.382 1.00 0.00 C ATOM 422 C SER A 27 25.685 17.657 -2.984 1.00 0.00 C ATOM 423 O SER A 27 25.740 16.676 -2.239 1.00 0.00 O ATOM 424 CB SER A 27 25.260 17.848 -5.464 1.00 0.00 C ATOM 425 OG SER A 27 24.245 16.869 -5.364 1.00 0.00 O ATOM 0 H SER A 27 26.445 15.581 -4.737 1.00 0.00 H new ATOM 0 HA SER A 27 27.047 18.458 -4.382 1.00 0.00 H new ATOM 0 HB2 SER A 27 24.824 18.842 -5.365 1.00 0.00 H new ATOM 0 HB3 SER A 27 25.722 17.799 -6.450 1.00 0.00 H new ATOM 0 HG SER A 27 24.319 16.243 -6.114 1.00 0.00 H new ATOM 431 N THR A 28 25.086 18.800 -2.626 1.00 0.00 N ATOM 432 CA THR A 28 24.180 18.921 -1.468 1.00 0.00 C ATOM 433 C THR A 28 22.734 19.007 -1.961 1.00 0.00 C ATOM 434 O THR A 28 22.472 19.490 -3.062 1.00 0.00 O ATOM 435 CB THR A 28 24.574 20.063 -0.511 1.00 0.00 C ATOM 436 OG1 THR A 28 23.697 20.050 0.595 1.00 0.00 O ATOM 437 CG2 THR A 28 24.524 21.464 -1.116 1.00 0.00 C ATOM 0 H THR A 28 25.215 19.675 -3.133 1.00 0.00 H new ATOM 0 HA THR A 28 24.274 18.023 -0.858 1.00 0.00 H new ATOM 0 HB THR A 28 25.613 19.872 -0.244 1.00 0.00 H new ATOM 0 HG1 THR A 28 23.939 20.772 1.213 1.00 0.00 H new ATOM 0 HG21 THR A 28 24.818 22.196 -0.364 1.00 0.00 H new ATOM 0 HG22 THR A 28 25.208 21.519 -1.963 1.00 0.00 H new ATOM 0 HG23 THR A 28 23.510 21.678 -1.454 1.00 0.00 H new ATOM 445 N GLU A 29 21.763 18.539 -1.176 1.00 0.00 N ATOM 446 CA GLU A 29 20.372 18.374 -1.635 1.00 0.00 C ATOM 447 C GLU A 29 19.684 19.691 -2.035 1.00 0.00 C ATOM 448 O GLU A 29 18.790 19.673 -2.876 1.00 0.00 O ATOM 449 CB GLU A 29 19.555 17.537 -0.632 1.00 0.00 C ATOM 450 CG GLU A 29 19.674 17.988 0.830 1.00 0.00 C ATOM 451 CD GLU A 29 18.731 17.182 1.751 1.00 0.00 C ATOM 452 OE1 GLU A 29 18.743 15.927 1.692 1.00 0.00 O ATOM 453 OE2 GLU A 29 17.995 17.802 2.556 1.00 0.00 O ATOM 0 H GLU A 29 21.912 18.263 -0.206 1.00 0.00 H new ATOM 0 HA GLU A 29 20.417 17.811 -2.567 1.00 0.00 H new ATOM 0 HB2 GLU A 29 18.505 17.570 -0.923 1.00 0.00 H new ATOM 0 HB3 GLU A 29 19.873 16.497 -0.704 1.00 0.00 H new ATOM 0 HG2 GLU A 29 20.704 17.867 1.166 1.00 0.00 H new ATOM 0 HG3 GLU A 29 19.437 19.049 0.905 1.00 0.00 H new ATOM 460 N GLN A 30 20.155 20.845 -1.542 1.00 0.00 N ATOM 461 CA GLN A 30 19.710 22.163 -2.026 1.00 0.00 C ATOM 462 C GLN A 30 20.138 22.435 -3.489 1.00 0.00 C ATOM 463 O GLN A 30 19.375 23.029 -4.249 1.00 0.00 O ATOM 464 CB GLN A 30 20.242 23.262 -1.092 1.00 0.00 C ATOM 465 CG GLN A 30 19.655 23.170 0.330 1.00 0.00 C ATOM 466 CD GLN A 30 20.128 24.288 1.264 1.00 0.00 C ATOM 467 OE1 GLN A 30 20.933 25.149 0.929 1.00 0.00 O ATOM 468 NE2 GLN A 30 19.650 24.317 2.492 1.00 0.00 N ATOM 0 H GLN A 30 20.853 20.893 -0.799 1.00 0.00 H new ATOM 0 HA GLN A 30 18.620 22.168 -2.016 1.00 0.00 H new ATOM 0 HB2 GLN A 30 21.328 23.192 -1.037 1.00 0.00 H new ATOM 0 HB3 GLN A 30 20.006 24.238 -1.515 1.00 0.00 H new ATOM 0 HG2 GLN A 30 18.567 23.197 0.267 1.00 0.00 H new ATOM 0 HG3 GLN A 30 19.925 22.207 0.764 1.00 0.00 H new ATOM 0 HE21 GLN A 30 18.979 23.611 2.795 1.00 0.00 H new ATOM 0 HE22 GLN A 30 19.951 25.045 3.140 1.00 0.00 H new ATOM 477 N GLN A 31 21.310 21.948 -3.919 1.00 0.00 N ATOM 478 CA GLN A 31 21.762 22.042 -5.320 1.00 0.00 C ATOM 479 C GLN A 31 20.964 21.093 -6.223 1.00 0.00 C ATOM 480 O GLN A 31 20.577 21.472 -7.325 1.00 0.00 O ATOM 481 CB GLN A 31 23.259 21.718 -5.430 1.00 0.00 C ATOM 482 CG GLN A 31 24.177 22.715 -4.702 1.00 0.00 C ATOM 483 CD GLN A 31 25.626 22.224 -4.617 1.00 0.00 C ATOM 484 OE1 GLN A 31 25.905 21.037 -4.497 1.00 0.00 O ATOM 485 NE2 GLN A 31 26.599 23.106 -4.628 1.00 0.00 N ATOM 0 H GLN A 31 21.975 21.476 -3.306 1.00 0.00 H new ATOM 0 HA GLN A 31 21.592 23.066 -5.652 1.00 0.00 H new ATOM 0 HB2 GLN A 31 23.434 20.720 -5.027 1.00 0.00 H new ATOM 0 HB3 GLN A 31 23.536 21.689 -6.484 1.00 0.00 H new ATOM 0 HG2 GLN A 31 24.151 23.673 -5.221 1.00 0.00 H new ATOM 0 HG3 GLN A 31 23.795 22.887 -3.696 1.00 0.00 H new ATOM 0 HE21 GLN A 31 26.386 24.099 -4.727 1.00 0.00 H new ATOM 0 HE22 GLN A 31 27.567 22.798 -4.538 1.00 0.00 H new ATOM 494 N PHE A 32 20.665 19.876 -5.741 1.00 0.00 N ATOM 495 CA PHE A 32 19.789 18.933 -6.452 1.00 0.00 C ATOM 496 C PHE A 32 18.360 19.496 -6.586 1.00 0.00 C ATOM 497 O PHE A 32 17.790 19.448 -7.673 1.00 0.00 O ATOM 498 CB PHE A 32 19.866 17.562 -5.749 1.00 0.00 C ATOM 499 CG PHE A 32 19.122 16.380 -6.364 1.00 0.00 C ATOM 500 CD1 PHE A 32 18.652 16.381 -7.695 1.00 0.00 C ATOM 501 CD2 PHE A 32 18.927 15.230 -5.572 1.00 0.00 C ATOM 502 CE1 PHE A 32 17.937 15.278 -8.197 1.00 0.00 C ATOM 503 CE2 PHE A 32 18.224 14.122 -6.079 1.00 0.00 C ATOM 504 CZ PHE A 32 17.705 14.157 -7.383 1.00 0.00 C ATOM 0 H PHE A 32 21.021 19.521 -4.854 1.00 0.00 H new ATOM 0 HA PHE A 32 20.128 18.791 -7.478 1.00 0.00 H new ATOM 0 HB2 PHE A 32 20.918 17.288 -5.674 1.00 0.00 H new ATOM 0 HB3 PHE A 32 19.497 17.691 -4.731 1.00 0.00 H new ATOM 0 HD1 PHE A 32 18.842 17.233 -8.331 1.00 0.00 H new ATOM 0 HD2 PHE A 32 19.321 15.199 -4.567 1.00 0.00 H new ATOM 0 HE1 PHE A 32 17.566 15.293 -9.211 1.00 0.00 H new ATOM 0 HE2 PHE A 32 18.084 13.245 -5.465 1.00 0.00 H new ATOM 0 HZ PHE A 32 17.129 13.324 -7.759 1.00 0.00 H new ATOM 514 N LEU A 33 17.821 20.126 -5.532 1.00 0.00 N ATOM 515 CA LEU A 33 16.541 20.850 -5.586 1.00 0.00 C ATOM 516 C LEU A 33 16.565 21.958 -6.642 1.00 0.00 C ATOM 517 O LEU A 33 15.682 22.009 -7.489 1.00 0.00 O ATOM 518 CB LEU A 33 16.189 21.371 -4.174 1.00 0.00 C ATOM 519 CG LEU A 33 14.806 22.026 -3.943 1.00 0.00 C ATOM 520 CD1 LEU A 33 14.670 23.431 -4.536 1.00 0.00 C ATOM 521 CD2 LEU A 33 13.655 21.164 -4.466 1.00 0.00 C ATOM 0 H LEU A 33 18.263 20.148 -4.613 1.00 0.00 H new ATOM 0 HA LEU A 33 15.751 20.167 -5.899 1.00 0.00 H new ATOM 0 HB2 LEU A 33 16.277 20.533 -3.482 1.00 0.00 H new ATOM 0 HB3 LEU A 33 16.950 22.099 -3.892 1.00 0.00 H new ATOM 0 HG LEU A 33 14.741 22.111 -2.858 1.00 0.00 H new ATOM 0 HD11 LEU A 33 13.672 23.818 -4.330 1.00 0.00 H new ATOM 0 HD12 LEU A 33 15.414 24.089 -4.087 1.00 0.00 H new ATOM 0 HD13 LEU A 33 14.827 23.388 -5.614 1.00 0.00 H new ATOM 0 HD21 LEU A 33 12.708 21.670 -4.279 1.00 0.00 H new ATOM 0 HD22 LEU A 33 13.777 21.006 -5.538 1.00 0.00 H new ATOM 0 HD23 LEU A 33 13.660 20.201 -3.955 1.00 0.00 H new ATOM 533 N GLU A 34 17.598 22.800 -6.640 1.00 0.00 N ATOM 534 CA GLU A 34 17.740 23.897 -7.609 1.00 0.00 C ATOM 535 C GLU A 34 17.858 23.395 -9.059 1.00 0.00 C ATOM 536 O GLU A 34 17.228 23.953 -9.958 1.00 0.00 O ATOM 537 CB GLU A 34 18.940 24.773 -7.206 1.00 0.00 C ATOM 538 CG GLU A 34 19.063 26.033 -8.071 1.00 0.00 C ATOM 539 CD GLU A 34 20.203 26.937 -7.561 1.00 0.00 C ATOM 540 OE1 GLU A 34 21.376 26.718 -7.952 1.00 0.00 O ATOM 541 OE2 GLU A 34 19.930 27.881 -6.777 1.00 0.00 O ATOM 0 H GLU A 34 18.363 22.744 -5.968 1.00 0.00 H new ATOM 0 HA GLU A 34 16.831 24.499 -7.583 1.00 0.00 H new ATOM 0 HB2 GLU A 34 18.839 25.063 -6.160 1.00 0.00 H new ATOM 0 HB3 GLU A 34 19.856 24.189 -7.288 1.00 0.00 H new ATOM 0 HG2 GLU A 34 19.252 25.752 -9.107 1.00 0.00 H new ATOM 0 HG3 GLU A 34 18.122 26.583 -8.056 1.00 0.00 H new ATOM 548 N ALA A 35 18.589 22.303 -9.287 1.00 0.00 N ATOM 549 CA ALA A 35 18.708 21.672 -10.603 1.00 0.00 C ATOM 550 C ALA A 35 17.377 21.055 -11.079 1.00 0.00 C ATOM 551 O ALA A 35 17.009 21.193 -12.245 1.00 0.00 O ATOM 552 CB ALA A 35 19.839 20.633 -10.539 1.00 0.00 C ATOM 0 H ALA A 35 19.120 21.827 -8.557 1.00 0.00 H new ATOM 0 HA ALA A 35 18.953 22.431 -11.346 1.00 0.00 H new ATOM 0 HB1 ALA A 35 19.945 20.150 -11.510 1.00 0.00 H new ATOM 0 HB2 ALA A 35 20.774 21.128 -10.276 1.00 0.00 H new ATOM 0 HB3 ALA A 35 19.602 19.883 -9.785 1.00 0.00 H new ATOM 558 N MET A 36 16.611 20.427 -10.181 1.00 0.00 N ATOM 559 CA MET A 36 15.272 19.894 -10.480 1.00 0.00 C ATOM 560 C MET A 36 14.248 21.014 -10.716 1.00 0.00 C ATOM 561 O MET A 36 13.480 20.946 -11.673 1.00 0.00 O ATOM 562 CB MET A 36 14.840 18.956 -9.340 1.00 0.00 C ATOM 563 CG MET A 36 15.610 17.630 -9.401 1.00 0.00 C ATOM 564 SD MET A 36 15.048 16.483 -10.690 1.00 0.00 S ATOM 565 CE MET A 36 13.603 15.787 -9.849 1.00 0.00 C ATOM 0 H MET A 36 16.903 20.271 -9.216 1.00 0.00 H new ATOM 0 HA MET A 36 15.317 19.327 -11.410 1.00 0.00 H new ATOM 0 HB2 MET A 36 15.016 19.440 -8.379 1.00 0.00 H new ATOM 0 HB3 MET A 36 13.769 18.763 -9.408 1.00 0.00 H new ATOM 0 HG2 MET A 36 16.666 17.846 -9.562 1.00 0.00 H new ATOM 0 HG3 MET A 36 15.530 17.135 -8.433 1.00 0.00 H new ATOM 0 HE1 MET A 36 13.144 15.028 -10.482 1.00 0.00 H new ATOM 0 HE2 MET A 36 13.913 15.335 -8.907 1.00 0.00 H new ATOM 0 HE3 MET A 36 12.881 16.579 -9.651 1.00 0.00 H new ATOM 575 N GLU A 37 14.281 22.086 -9.924 1.00 0.00 N ATOM 576 CA GLU A 37 13.411 23.260 -10.099 1.00 0.00 C ATOM 577 C GLU A 37 13.697 23.980 -11.433 1.00 0.00 C ATOM 578 O GLU A 37 12.770 24.404 -12.127 1.00 0.00 O ATOM 579 CB GLU A 37 13.617 24.209 -8.902 1.00 0.00 C ATOM 580 CG GLU A 37 12.543 25.298 -8.751 1.00 0.00 C ATOM 581 CD GLU A 37 11.303 24.803 -7.977 1.00 0.00 C ATOM 582 OE1 GLU A 37 10.775 23.703 -8.261 1.00 0.00 O ATOM 583 OE2 GLU A 37 10.839 25.501 -7.043 1.00 0.00 O ATOM 0 H GLU A 37 14.919 22.169 -9.132 1.00 0.00 H new ATOM 0 HA GLU A 37 12.371 22.935 -10.134 1.00 0.00 H new ATOM 0 HB2 GLU A 37 13.645 23.617 -7.987 1.00 0.00 H new ATOM 0 HB3 GLU A 37 14.590 24.690 -9.001 1.00 0.00 H new ATOM 0 HG2 GLU A 37 12.971 26.157 -8.234 1.00 0.00 H new ATOM 0 HG3 GLU A 37 12.237 25.641 -9.739 1.00 0.00 H new ATOM 590 N SER A 38 14.975 24.053 -11.834 1.00 0.00 N ATOM 591 CA SER A 38 15.407 24.676 -13.101 1.00 0.00 C ATOM 592 C SER A 38 15.058 23.850 -14.351 1.00 0.00 C ATOM 593 O SER A 38 15.032 24.397 -15.456 1.00 0.00 O ATOM 594 CB SER A 38 16.923 24.928 -13.078 1.00 0.00 C ATOM 595 OG SER A 38 17.289 25.766 -11.996 1.00 0.00 O ATOM 0 H SER A 38 15.748 23.678 -11.284 1.00 0.00 H new ATOM 0 HA SER A 38 14.856 25.614 -13.172 1.00 0.00 H new ATOM 0 HB2 SER A 38 17.451 23.977 -12.999 1.00 0.00 H new ATOM 0 HB3 SER A 38 17.232 25.387 -14.017 1.00 0.00 H new ATOM 0 HG SER A 38 17.278 25.249 -11.164 1.00 0.00 H new ATOM 601 N THR A 39 14.797 22.543 -14.196 1.00 0.00 N ATOM 602 CA THR A 39 14.522 21.602 -15.306 1.00 0.00 C ATOM 603 C THR A 39 13.082 21.069 -15.332 1.00 0.00 C ATOM 604 O THR A 39 12.735 20.280 -16.212 1.00 0.00 O ATOM 605 CB THR A 39 15.509 20.428 -15.289 1.00 0.00 C ATOM 606 OG1 THR A 39 15.450 19.773 -14.045 1.00 0.00 O ATOM 607 CG2 THR A 39 16.955 20.868 -15.515 1.00 0.00 C ATOM 0 H THR A 39 14.769 22.096 -13.279 1.00 0.00 H new ATOM 0 HA THR A 39 14.655 22.186 -16.217 1.00 0.00 H new ATOM 0 HB THR A 39 15.216 19.767 -16.104 1.00 0.00 H new ATOM 0 HG1 THR A 39 15.997 20.259 -13.393 1.00 0.00 H new ATOM 0 HG21 THR A 39 17.608 19.996 -15.493 1.00 0.00 H new ATOM 0 HG22 THR A 39 17.039 21.359 -16.484 1.00 0.00 H new ATOM 0 HG23 THR A 39 17.251 21.563 -14.729 1.00 0.00 H new ATOM 615 N GLY A 40 12.225 21.477 -14.386 1.00 0.00 N ATOM 616 CA GLY A 40 10.844 20.986 -14.280 1.00 0.00 C ATOM 617 C GLY A 40 10.747 19.534 -13.788 1.00 0.00 C ATOM 618 O GLY A 40 9.817 18.814 -14.156 1.00 0.00 O ATOM 0 H GLY A 40 12.471 22.160 -13.670 1.00 0.00 H new ATOM 0 HA2 GLY A 40 10.289 21.630 -13.598 1.00 0.00 H new ATOM 0 HA3 GLY A 40 10.363 21.064 -15.255 1.00 0.00 H new ATOM 622 N GLY A 41 11.727 19.084 -12.996 1.00 0.00 N ATOM 623 CA GLY A 41 11.780 17.725 -12.441 1.00 0.00 C ATOM 624 C GLY A 41 12.340 16.651 -13.379 1.00 0.00 C ATOM 625 O GLY A 41 12.188 15.465 -13.092 1.00 0.00 O ATOM 0 H GLY A 41 12.519 19.663 -12.718 1.00 0.00 H new ATOM 0 HA2 GLY A 41 12.387 17.744 -11.536 1.00 0.00 H new ATOM 0 HA3 GLY A 41 10.773 17.433 -12.143 1.00 0.00 H new ATOM 629 N ARG A 42 12.999 17.024 -14.485 1.00 0.00 N ATOM 630 CA ARG A 42 13.653 16.064 -15.402 1.00 0.00 C ATOM 631 C ARG A 42 14.969 15.584 -14.793 1.00 0.00 C ATOM 632 O ARG A 42 16.009 16.188 -15.021 1.00 0.00 O ATOM 633 CB ARG A 42 13.849 16.724 -16.787 1.00 0.00 C ATOM 634 CG ARG A 42 12.632 16.577 -17.711 1.00 0.00 C ATOM 635 CD ARG A 42 12.504 15.155 -18.283 1.00 0.00 C ATOM 636 NE ARG A 42 11.579 15.115 -19.435 1.00 0.00 N ATOM 637 CZ ARG A 42 10.257 15.065 -19.430 1.00 0.00 C ATOM 638 NH1 ARG A 42 9.560 15.054 -18.330 1.00 0.00 N ATOM 639 NH2 ARG A 42 9.601 15.029 -20.553 1.00 0.00 N ATOM 0 H ARG A 42 13.097 17.997 -14.774 1.00 0.00 H new ATOM 0 HA ARG A 42 13.023 15.186 -15.544 1.00 0.00 H new ATOM 0 HB2 ARG A 42 14.065 17.783 -16.649 1.00 0.00 H new ATOM 0 HB3 ARG A 42 14.719 16.282 -17.272 1.00 0.00 H new ATOM 0 HG2 ARG A 42 11.726 16.827 -17.158 1.00 0.00 H new ATOM 0 HG3 ARG A 42 12.712 17.291 -18.531 1.00 0.00 H new ATOM 0 HD2 ARG A 42 13.486 14.796 -18.591 1.00 0.00 H new ATOM 0 HD3 ARG A 42 12.147 14.480 -17.505 1.00 0.00 H new ATOM 0 HE ARG A 42 12.018 15.128 -20.356 1.00 0.00 H new ATOM 0 HH11 ARG A 42 10.032 15.085 -17.427 1.00 0.00 H new ATOM 0 HH12 ARG A 42 8.542 15.015 -18.372 1.00 0.00 H new ATOM 0 HH21 ARG A 42 10.106 15.039 -21.439 1.00 0.00 H new ATOM 0 HH22 ARG A 42 8.582 14.990 -20.547 1.00 0.00 H new ATOM 653 N VAL A 43 14.928 14.461 -14.071 1.00 0.00 N ATOM 654 CA VAL A 43 16.081 13.917 -13.309 1.00 0.00 C ATOM 655 C VAL A 43 17.333 13.806 -14.176 1.00 0.00 C ATOM 656 O VAL A 43 18.384 14.285 -13.770 1.00 0.00 O ATOM 657 CB VAL A 43 15.742 12.559 -12.646 1.00 0.00 C ATOM 658 CG1 VAL A 43 16.885 12.055 -11.757 1.00 0.00 C ATOM 659 CG2 VAL A 43 14.507 12.668 -11.744 1.00 0.00 C ATOM 0 H VAL A 43 14.087 13.889 -13.991 1.00 0.00 H new ATOM 0 HA VAL A 43 16.295 14.629 -12.512 1.00 0.00 H new ATOM 0 HB VAL A 43 15.565 11.869 -13.471 1.00 0.00 H new ATOM 0 HG11 VAL A 43 16.606 11.100 -11.312 1.00 0.00 H new ATOM 0 HG12 VAL A 43 17.784 11.925 -12.359 1.00 0.00 H new ATOM 0 HG13 VAL A 43 17.079 12.781 -10.967 1.00 0.00 H new ATOM 0 HG21 VAL A 43 14.298 11.697 -11.295 1.00 0.00 H new ATOM 0 HG22 VAL A 43 14.694 13.399 -10.957 1.00 0.00 H new ATOM 0 HG23 VAL A 43 13.650 12.986 -12.338 1.00 0.00 H new ATOM 669 N ARG A 44 17.218 13.293 -15.410 1.00 0.00 N ATOM 670 CA ARG A 44 18.362 13.160 -16.335 1.00 0.00 C ATOM 671 C ARG A 44 19.035 14.499 -16.676 1.00 0.00 C ATOM 672 O ARG A 44 20.254 14.609 -16.619 1.00 0.00 O ATOM 673 CB ARG A 44 17.946 12.337 -17.575 1.00 0.00 C ATOM 674 CG ARG A 44 16.938 13.004 -18.537 1.00 0.00 C ATOM 675 CD ARG A 44 16.471 12.036 -19.635 1.00 0.00 C ATOM 676 NE ARG A 44 17.588 11.567 -20.483 1.00 0.00 N ATOM 677 CZ ARG A 44 18.070 12.121 -21.583 1.00 0.00 C ATOM 678 NH1 ARG A 44 17.591 13.229 -22.077 1.00 0.00 N ATOM 679 NH2 ARG A 44 19.062 11.560 -22.214 1.00 0.00 N ATOM 0 H ARG A 44 16.335 12.959 -15.797 1.00 0.00 H new ATOM 0 HA ARG A 44 19.146 12.605 -15.820 1.00 0.00 H new ATOM 0 HB2 ARG A 44 18.846 12.092 -18.139 1.00 0.00 H new ATOM 0 HB3 ARG A 44 17.518 11.395 -17.232 1.00 0.00 H new ATOM 0 HG2 ARG A 44 16.075 13.356 -17.972 1.00 0.00 H new ATOM 0 HG3 ARG A 44 17.398 13.879 -18.996 1.00 0.00 H new ATOM 0 HD2 ARG A 44 15.982 11.177 -19.175 1.00 0.00 H new ATOM 0 HD3 ARG A 44 15.727 12.530 -20.259 1.00 0.00 H new ATOM 0 HE ARG A 44 18.045 10.707 -20.181 1.00 0.00 H new ATOM 0 HH11 ARG A 44 16.816 13.701 -21.612 1.00 0.00 H new ATOM 0 HH12 ARG A 44 17.992 13.623 -22.928 1.00 0.00 H new ATOM 0 HH21 ARG A 44 19.467 10.693 -21.860 1.00 0.00 H new ATOM 0 HH22 ARG A 44 19.434 11.987 -23.062 1.00 0.00 H new ATOM 693 N ILE A 45 18.238 15.543 -16.920 1.00 0.00 N ATOM 694 CA ILE A 45 18.746 16.896 -17.244 1.00 0.00 C ATOM 695 C ILE A 45 19.292 17.566 -15.975 1.00 0.00 C ATOM 696 O ILE A 45 20.335 18.213 -16.020 1.00 0.00 O ATOM 697 CB ILE A 45 17.668 17.760 -17.951 1.00 0.00 C ATOM 698 CG1 ILE A 45 17.051 17.016 -19.164 1.00 0.00 C ATOM 699 CG2 ILE A 45 18.283 19.094 -18.418 1.00 0.00 C ATOM 700 CD1 ILE A 45 15.963 17.797 -19.915 1.00 0.00 C ATOM 0 H ILE A 45 17.220 15.483 -16.901 1.00 0.00 H new ATOM 0 HA ILE A 45 19.567 16.800 -17.954 1.00 0.00 H new ATOM 0 HB ILE A 45 16.873 17.955 -17.232 1.00 0.00 H new ATOM 0 HG12 ILE A 45 17.849 16.768 -19.864 1.00 0.00 H new ATOM 0 HG13 ILE A 45 16.627 16.074 -18.817 1.00 0.00 H new ATOM 0 HG21 ILE A 45 17.519 19.693 -18.913 1.00 0.00 H new ATOM 0 HG22 ILE A 45 18.669 19.638 -17.556 1.00 0.00 H new ATOM 0 HG23 ILE A 45 19.096 18.895 -19.116 1.00 0.00 H new ATOM 0 HD11 ILE A 45 15.592 17.197 -20.746 1.00 0.00 H new ATOM 0 HD12 ILE A 45 15.142 18.022 -19.235 1.00 0.00 H new ATOM 0 HD13 ILE A 45 16.382 18.727 -20.298 1.00 0.00 H new ATOM 712 N ALA A 46 18.633 17.367 -14.832 1.00 0.00 N ATOM 713 CA ALA A 46 19.055 17.912 -13.545 1.00 0.00 C ATOM 714 C ALA A 46 20.421 17.354 -13.120 1.00 0.00 C ATOM 715 O ALA A 46 21.332 18.124 -12.826 1.00 0.00 O ATOM 716 CB ALA A 46 17.963 17.619 -12.506 1.00 0.00 C ATOM 0 H ALA A 46 17.778 16.814 -14.776 1.00 0.00 H new ATOM 0 HA ALA A 46 19.184 18.991 -13.629 1.00 0.00 H new ATOM 0 HB1 ALA A 46 18.264 18.020 -11.538 1.00 0.00 H new ATOM 0 HB2 ALA A 46 17.029 18.086 -12.818 1.00 0.00 H new ATOM 0 HB3 ALA A 46 17.819 16.542 -12.423 1.00 0.00 H new ATOM 722 N ILE A 47 20.609 16.029 -13.164 1.00 0.00 N ATOM 723 CA ILE A 47 21.904 15.409 -12.833 1.00 0.00 C ATOM 724 C ILE A 47 22.960 15.747 -13.894 1.00 0.00 C ATOM 725 O ILE A 47 24.094 16.033 -13.527 1.00 0.00 O ATOM 726 CB ILE A 47 21.792 13.891 -12.532 1.00 0.00 C ATOM 727 CG1 ILE A 47 21.515 13.042 -13.786 1.00 0.00 C ATOM 728 CG2 ILE A 47 20.758 13.666 -11.413 1.00 0.00 C ATOM 729 CD1 ILE A 47 21.325 11.542 -13.515 1.00 0.00 C ATOM 0 H ILE A 47 19.882 15.363 -13.425 1.00 0.00 H new ATOM 0 HA ILE A 47 22.246 15.847 -11.895 1.00 0.00 H new ATOM 0 HB ILE A 47 22.763 13.541 -12.181 1.00 0.00 H new ATOM 0 HG12 ILE A 47 20.621 13.425 -14.277 1.00 0.00 H new ATOM 0 HG13 ILE A 47 22.342 13.169 -14.485 1.00 0.00 H new ATOM 0 HG21 ILE A 47 20.678 12.600 -11.200 1.00 0.00 H new ATOM 0 HG22 ILE A 47 21.075 14.193 -10.513 1.00 0.00 H new ATOM 0 HG23 ILE A 47 19.788 14.046 -11.733 1.00 0.00 H new ATOM 0 HD11 ILE A 47 21.135 11.024 -14.455 1.00 0.00 H new ATOM 0 HD12 ILE A 47 22.227 11.139 -13.054 1.00 0.00 H new ATOM 0 HD13 ILE A 47 20.479 11.398 -12.844 1.00 0.00 H new ATOM 741 N ALA A 48 22.595 15.831 -15.183 1.00 0.00 N ATOM 742 CA ALA A 48 23.513 16.263 -16.247 1.00 0.00 C ATOM 743 C ALA A 48 24.047 17.695 -16.041 1.00 0.00 C ATOM 744 O ALA A 48 25.258 17.919 -16.096 1.00 0.00 O ATOM 745 CB ALA A 48 22.786 16.127 -17.590 1.00 0.00 C ATOM 0 H ALA A 48 21.658 15.602 -15.516 1.00 0.00 H new ATOM 0 HA ALA A 48 24.395 15.623 -16.225 1.00 0.00 H new ATOM 0 HB1 ALA A 48 23.449 16.442 -18.396 1.00 0.00 H new ATOM 0 HB2 ALA A 48 22.497 15.087 -17.744 1.00 0.00 H new ATOM 0 HB3 ALA A 48 21.895 16.755 -17.586 1.00 0.00 H new ATOM 751 N LYS A 49 23.166 18.658 -15.737 1.00 0.00 N ATOM 752 CA LYS A 49 23.561 20.055 -15.470 1.00 0.00 C ATOM 753 C LYS A 49 24.334 20.190 -14.159 1.00 0.00 C ATOM 754 O LYS A 49 25.349 20.877 -14.113 1.00 0.00 O ATOM 755 CB LYS A 49 22.328 20.973 -15.524 1.00 0.00 C ATOM 756 CG LYS A 49 21.923 21.141 -16.995 1.00 0.00 C ATOM 757 CD LYS A 49 20.877 22.238 -17.215 1.00 0.00 C ATOM 758 CE LYS A 49 20.803 22.464 -18.729 1.00 0.00 C ATOM 759 NZ LYS A 49 19.908 23.601 -19.093 1.00 0.00 N ATOM 0 H LYS A 49 22.161 18.495 -15.668 1.00 0.00 H new ATOM 0 HA LYS A 49 24.248 20.374 -16.254 1.00 0.00 H new ATOM 0 HB2 LYS A 49 21.507 20.542 -14.950 1.00 0.00 H new ATOM 0 HB3 LYS A 49 22.555 21.942 -15.079 1.00 0.00 H new ATOM 0 HG2 LYS A 49 22.810 21.371 -17.585 1.00 0.00 H new ATOM 0 HG3 LYS A 49 21.530 20.195 -17.367 1.00 0.00 H new ATOM 0 HD2 LYS A 49 19.907 21.936 -16.819 1.00 0.00 H new ATOM 0 HD3 LYS A 49 21.161 23.155 -16.698 1.00 0.00 H new ATOM 0 HE2 LYS A 49 21.804 22.656 -19.114 1.00 0.00 H new ATOM 0 HE3 LYS A 49 20.445 21.555 -19.212 1.00 0.00 H new ATOM 0 HZ1 LYS A 49 19.892 23.713 -20.127 1.00 0.00 H new ATOM 0 HZ2 LYS A 49 18.945 23.408 -18.751 1.00 0.00 H new ATOM 0 HZ3 LYS A 49 20.262 24.476 -18.656 1.00 0.00 H new ATOM 773 N LEU A 50 23.931 19.459 -13.122 1.00 0.00 N ATOM 774 CA LEU A 50 24.623 19.442 -11.825 1.00 0.00 C ATOM 775 C LEU A 50 26.028 18.807 -11.907 1.00 0.00 C ATOM 776 O LEU A 50 26.948 19.292 -11.254 1.00 0.00 O ATOM 777 CB LEU A 50 23.687 18.734 -10.834 1.00 0.00 C ATOM 778 CG LEU A 50 24.120 18.710 -9.362 1.00 0.00 C ATOM 779 CD1 LEU A 50 24.373 20.102 -8.784 1.00 0.00 C ATOM 780 CD2 LEU A 50 22.981 18.070 -8.570 1.00 0.00 C ATOM 0 H LEU A 50 23.109 18.856 -13.153 1.00 0.00 H new ATOM 0 HA LEU A 50 24.824 20.457 -11.483 1.00 0.00 H new ATOM 0 HB2 LEU A 50 22.709 19.212 -10.892 1.00 0.00 H new ATOM 0 HB3 LEU A 50 23.559 17.704 -11.166 1.00 0.00 H new ATOM 0 HG LEU A 50 25.057 18.158 -9.294 1.00 0.00 H new ATOM 0 HD11 LEU A 50 24.676 20.013 -7.741 1.00 0.00 H new ATOM 0 HD12 LEU A 50 25.164 20.593 -9.351 1.00 0.00 H new ATOM 0 HD13 LEU A 50 23.460 20.694 -8.848 1.00 0.00 H new ATOM 0 HD21 LEU A 50 23.248 18.033 -7.514 1.00 0.00 H new ATOM 0 HD22 LEU A 50 22.074 18.662 -8.694 1.00 0.00 H new ATOM 0 HD23 LEU A 50 22.807 17.058 -8.936 1.00 0.00 H new ATOM 792 N LEU A 51 26.217 17.789 -12.759 1.00 0.00 N ATOM 793 CA LEU A 51 27.539 17.238 -13.099 1.00 0.00 C ATOM 794 C LEU A 51 28.387 18.226 -13.921 1.00 0.00 C ATOM 795 O LEU A 51 29.571 18.401 -13.633 1.00 0.00 O ATOM 796 CB LEU A 51 27.374 15.905 -13.856 1.00 0.00 C ATOM 797 CG LEU A 51 26.959 14.720 -12.966 1.00 0.00 C ATOM 798 CD1 LEU A 51 26.490 13.545 -13.828 1.00 0.00 C ATOM 799 CD2 LEU A 51 28.116 14.229 -12.096 1.00 0.00 C ATOM 0 H LEU A 51 25.448 17.319 -13.237 1.00 0.00 H new ATOM 0 HA LEU A 51 28.073 17.060 -12.166 1.00 0.00 H new ATOM 0 HB2 LEU A 51 26.627 16.035 -14.639 1.00 0.00 H new ATOM 0 HB3 LEU A 51 28.315 15.662 -14.350 1.00 0.00 H new ATOM 0 HG LEU A 51 26.153 15.077 -12.325 1.00 0.00 H new ATOM 0 HD11 LEU A 51 26.200 12.715 -13.184 1.00 0.00 H new ATOM 0 HD12 LEU A 51 25.635 13.854 -14.430 1.00 0.00 H new ATOM 0 HD13 LEU A 51 27.301 13.229 -14.485 1.00 0.00 H new ATOM 0 HD21 LEU A 51 27.781 13.392 -11.483 1.00 0.00 H new ATOM 0 HD22 LEU A 51 28.939 13.905 -12.734 1.00 0.00 H new ATOM 0 HD23 LEU A 51 28.455 15.039 -11.450 1.00 0.00 H new ATOM 811 N SER A 52 27.791 18.932 -14.889 1.00 0.00 N ATOM 812 CA SER A 52 28.481 19.991 -15.649 1.00 0.00 C ATOM 813 C SER A 52 28.955 21.143 -14.741 1.00 0.00 C ATOM 814 O SER A 52 30.068 21.654 -14.901 1.00 0.00 O ATOM 815 CB SER A 52 27.554 20.515 -16.754 1.00 0.00 C ATOM 816 OG SER A 52 28.264 21.394 -17.616 1.00 0.00 O ATOM 0 H SER A 52 26.821 18.789 -15.170 1.00 0.00 H new ATOM 0 HA SER A 52 29.375 19.558 -16.098 1.00 0.00 H new ATOM 0 HB2 SER A 52 27.151 19.680 -17.327 1.00 0.00 H new ATOM 0 HB3 SER A 52 26.706 21.036 -16.310 1.00 0.00 H new ATOM 0 HG SER A 52 27.663 21.721 -18.318 1.00 0.00 H new ATOM 822 N LYS A 53 28.155 21.488 -13.720 1.00 0.00 N ATOM 823 CA LYS A 53 28.447 22.516 -12.702 1.00 0.00 C ATOM 824 C LYS A 53 29.239 22.011 -11.480 1.00 0.00 C ATOM 825 O LYS A 53 29.390 22.755 -10.511 1.00 0.00 O ATOM 826 CB LYS A 53 27.141 23.239 -12.311 1.00 0.00 C ATOM 827 CG LYS A 53 26.558 24.046 -13.486 1.00 0.00 C ATOM 828 CD LYS A 53 25.310 24.832 -13.057 1.00 0.00 C ATOM 829 CE LYS A 53 24.792 25.672 -14.231 1.00 0.00 C ATOM 830 NZ LYS A 53 23.634 26.526 -13.834 1.00 0.00 N ATOM 0 H LYS A 53 27.250 21.042 -13.573 1.00 0.00 H new ATOM 0 HA LYS A 53 29.130 23.231 -13.161 1.00 0.00 H new ATOM 0 HB2 LYS A 53 26.407 22.507 -11.974 1.00 0.00 H new ATOM 0 HB3 LYS A 53 27.333 23.907 -11.471 1.00 0.00 H new ATOM 0 HG2 LYS A 53 27.312 24.735 -13.866 1.00 0.00 H new ATOM 0 HG3 LYS A 53 26.303 23.371 -14.303 1.00 0.00 H new ATOM 0 HD2 LYS A 53 24.534 24.144 -12.721 1.00 0.00 H new ATOM 0 HD3 LYS A 53 25.550 25.479 -12.213 1.00 0.00 H new ATOM 0 HE2 LYS A 53 25.596 26.303 -14.609 1.00 0.00 H new ATOM 0 HE3 LYS A 53 24.495 25.013 -15.046 1.00 0.00 H new ATOM 0 HZ1 LYS A 53 23.313 27.078 -14.654 1.00 0.00 H new ATOM 0 HZ2 LYS A 53 22.857 25.922 -13.497 1.00 0.00 H new ATOM 0 HZ3 LYS A 53 23.924 27.173 -13.073 1.00 0.00 H new ATOM 844 N GLN A 54 29.804 20.796 -11.512 1.00 0.00 N ATOM 845 CA GLN A 54 30.572 20.166 -10.412 1.00 0.00 C ATOM 846 C GLN A 54 31.998 20.761 -10.235 1.00 0.00 C ATOM 847 O GLN A 54 32.994 20.048 -10.104 1.00 0.00 O ATOM 848 CB GLN A 54 30.551 18.634 -10.602 1.00 0.00 C ATOM 849 CG GLN A 54 30.862 17.827 -9.328 1.00 0.00 C ATOM 850 CD GLN A 54 31.156 16.362 -9.652 1.00 0.00 C ATOM 851 OE1 GLN A 54 30.323 15.476 -9.502 1.00 0.00 O ATOM 852 NE2 GLN A 54 32.350 16.041 -10.107 1.00 0.00 N ATOM 0 H GLN A 54 29.740 20.196 -12.334 1.00 0.00 H new ATOM 0 HA GLN A 54 30.086 20.399 -9.464 1.00 0.00 H new ATOM 0 HB2 GLN A 54 29.569 18.340 -10.972 1.00 0.00 H new ATOM 0 HB3 GLN A 54 31.275 18.366 -11.372 1.00 0.00 H new ATOM 0 HG2 GLN A 54 31.718 18.267 -8.817 1.00 0.00 H new ATOM 0 HG3 GLN A 54 30.017 17.887 -8.642 1.00 0.00 H new ATOM 0 HE21 GLN A 54 33.057 16.764 -10.239 1.00 0.00 H new ATOM 0 HE22 GLN A 54 32.567 15.069 -10.328 1.00 0.00 H new ATOM 861 N THR A 55 32.093 22.092 -10.287 1.00 0.00 N ATOM 862 CA THR A 55 33.325 22.902 -10.206 1.00 0.00 C ATOM 863 C THR A 55 33.059 24.352 -9.742 1.00 0.00 C ATOM 864 O THR A 55 34.002 25.084 -9.441 1.00 0.00 O ATOM 865 CB THR A 55 34.032 22.878 -11.580 1.00 0.00 C ATOM 866 OG1 THR A 55 35.327 23.451 -11.537 1.00 0.00 O ATOM 867 CG2 THR A 55 33.230 23.562 -12.695 1.00 0.00 C ATOM 0 H THR A 55 31.263 22.675 -10.393 1.00 0.00 H new ATOM 0 HA THR A 55 33.972 22.461 -9.447 1.00 0.00 H new ATOM 0 HB THR A 55 34.113 21.817 -11.816 1.00 0.00 H new ATOM 0 HG1 THR A 55 35.362 24.128 -10.830 1.00 0.00 H new ATOM 0 HG21 THR A 55 33.787 23.507 -13.630 1.00 0.00 H new ATOM 0 HG22 THR A 55 32.270 23.059 -12.814 1.00 0.00 H new ATOM 0 HG23 THR A 55 33.062 24.607 -12.434 1.00 0.00 H new ATOM 875 N SER A 56 31.789 24.783 -9.661 1.00 0.00 N ATOM 876 CA SER A 56 31.386 26.188 -9.456 1.00 0.00 C ATOM 877 C SER A 56 31.121 26.582 -7.989 1.00 0.00 C ATOM 878 O SER A 56 30.587 27.665 -7.728 1.00 0.00 O ATOM 879 CB SER A 56 30.164 26.507 -10.334 1.00 0.00 C ATOM 880 OG SER A 56 30.390 26.117 -11.684 1.00 0.00 O ATOM 0 H SER A 56 30.993 24.150 -9.738 1.00 0.00 H new ATOM 0 HA SER A 56 32.243 26.792 -9.755 1.00 0.00 H new ATOM 0 HB2 SER A 56 29.287 25.990 -9.944 1.00 0.00 H new ATOM 0 HB3 SER A 56 29.950 27.575 -10.291 1.00 0.00 H new ATOM 0 HG SER A 56 29.599 26.328 -12.222 1.00 0.00 H new ATOM 886 N GLY A 57 31.459 25.718 -7.022 1.00 0.00 N ATOM 887 CA GLY A 57 31.250 25.959 -5.586 1.00 0.00 C ATOM 888 C GLY A 57 32.055 27.148 -5.029 1.00 0.00 C ATOM 889 O GLY A 57 33.151 27.457 -5.507 1.00 0.00 O ATOM 0 H GLY A 57 31.893 24.816 -7.218 1.00 0.00 H new ATOM 0 HA2 GLY A 57 30.189 26.136 -5.408 1.00 0.00 H new ATOM 0 HA3 GLY A 57 31.520 25.059 -5.033 1.00 0.00 H new ATOM 893 N GLY A 58 31.502 27.825 -4.016 1.00 0.00 N ATOM 894 CA GLY A 58 32.107 29.002 -3.373 1.00 0.00 C ATOM 895 C GLY A 58 33.306 28.680 -2.464 1.00 0.00 C ATOM 896 O GLY A 58 33.482 27.548 -2.004 1.00 0.00 O ATOM 0 H GLY A 58 30.603 27.566 -3.610 1.00 0.00 H new ATOM 0 HA2 GLY A 58 32.429 29.699 -4.147 1.00 0.00 H new ATOM 0 HA3 GLY A 58 31.345 29.511 -2.783 1.00 0.00 H new ATOM 900 N SER A 59 34.126 29.700 -2.189 1.00 0.00 N ATOM 901 CA SER A 59 35.351 29.614 -1.373 1.00 0.00 C ATOM 902 C SER A 59 35.144 29.896 0.128 1.00 0.00 C ATOM 903 O SER A 59 36.063 29.688 0.927 1.00 0.00 O ATOM 904 CB SER A 59 36.411 30.560 -1.954 1.00 0.00 C ATOM 905 OG SER A 59 35.939 31.903 -1.976 1.00 0.00 O ATOM 0 H SER A 59 33.953 30.642 -2.539 1.00 0.00 H new ATOM 0 HA SER A 59 35.683 28.577 -1.424 1.00 0.00 H new ATOM 0 HB2 SER A 59 37.322 30.501 -1.359 1.00 0.00 H new ATOM 0 HB3 SER A 59 36.670 30.245 -2.965 1.00 0.00 H new ATOM 0 HG SER A 59 36.632 32.487 -2.349 1.00 0.00 H new ATOM 911 N GLY A 60 33.954 30.362 0.529 1.00 0.00 N ATOM 912 CA GLY A 60 33.607 30.682 1.921 1.00 0.00 C ATOM 913 C GLY A 60 33.484 29.460 2.847 1.00 0.00 C ATOM 914 O GLY A 60 33.354 28.317 2.393 1.00 0.00 O ATOM 0 H GLY A 60 33.187 30.531 -0.121 1.00 0.00 H new ATOM 0 HA2 GLY A 60 34.365 31.353 2.325 1.00 0.00 H new ATOM 0 HA3 GLY A 60 32.662 31.225 1.930 1.00 0.00 H new ATOM 918 N GLY A 61 33.517 29.710 4.161 1.00 0.00 N ATOM 919 CA GLY A 61 33.367 28.689 5.209 1.00 0.00 C ATOM 920 C GLY A 61 31.933 28.163 5.385 1.00 0.00 C ATOM 921 O GLY A 61 30.978 28.673 4.790 1.00 0.00 O ATOM 0 H GLY A 61 33.652 30.649 4.536 1.00 0.00 H new ATOM 0 HA2 GLY A 61 34.023 27.850 4.978 1.00 0.00 H new ATOM 0 HA3 GLY A 61 33.706 29.107 6.157 1.00 0.00 H new ATOM 925 N SER A 62 31.782 27.138 6.229 1.00 0.00 N ATOM 926 CA SER A 62 30.512 26.458 6.542 1.00 0.00 C ATOM 927 C SER A 62 30.396 26.068 8.027 1.00 0.00 C ATOM 928 O SER A 62 31.390 26.032 8.762 1.00 0.00 O ATOM 929 CB SER A 62 30.345 25.223 5.640 1.00 0.00 C ATOM 930 OG SER A 62 31.395 24.285 5.843 1.00 0.00 O ATOM 0 H SER A 62 32.572 26.739 6.736 1.00 0.00 H new ATOM 0 HA SER A 62 29.706 27.165 6.345 1.00 0.00 H new ATOM 0 HB2 SER A 62 29.386 24.748 5.846 1.00 0.00 H new ATOM 0 HB3 SER A 62 30.329 25.533 4.595 1.00 0.00 H new ATOM 0 HG SER A 62 31.260 23.511 5.257 1.00 0.00 H new ATOM 936 N LYS A 63 29.168 25.783 8.487 1.00 0.00 N ATOM 937 CA LYS A 63 28.872 25.351 9.867 1.00 0.00 C ATOM 938 C LYS A 63 29.443 23.948 10.148 1.00 0.00 C ATOM 939 O LYS A 63 29.300 23.043 9.323 1.00 0.00 O ATOM 940 CB LYS A 63 27.347 25.410 10.093 1.00 0.00 C ATOM 941 CG LYS A 63 26.866 25.026 11.507 1.00 0.00 C ATOM 942 CD LYS A 63 27.378 25.920 12.654 1.00 0.00 C ATOM 943 CE LYS A 63 27.012 27.411 12.530 1.00 0.00 C ATOM 944 NZ LYS A 63 25.549 27.659 12.679 1.00 0.00 N ATOM 0 H LYS A 63 28.335 25.847 7.901 1.00 0.00 H new ATOM 0 HA LYS A 63 29.358 26.026 10.572 1.00 0.00 H new ATOM 0 HB2 LYS A 63 27.005 26.422 9.875 1.00 0.00 H new ATOM 0 HB3 LYS A 63 26.865 24.748 9.373 1.00 0.00 H new ATOM 0 HG2 LYS A 63 25.776 25.043 11.517 1.00 0.00 H new ATOM 0 HG3 LYS A 63 27.171 23.999 11.708 1.00 0.00 H new ATOM 0 HD2 LYS A 63 26.980 25.541 13.595 1.00 0.00 H new ATOM 0 HD3 LYS A 63 28.463 25.831 12.707 1.00 0.00 H new ATOM 0 HE2 LYS A 63 27.551 27.978 13.289 1.00 0.00 H new ATOM 0 HE3 LYS A 63 27.342 27.783 11.560 1.00 0.00 H new ATOM 0 HZ1 LYS A 63 25.358 28.677 12.587 1.00 0.00 H new ATOM 0 HZ2 LYS A 63 25.032 27.142 11.939 1.00 0.00 H new ATOM 0 HZ3 LYS A 63 25.235 27.331 13.615 1.00 0.00 H new ATOM 958 N LEU A 64 30.042 23.769 11.330 1.00 0.00 N ATOM 959 CA LEU A 64 30.570 22.492 11.837 1.00 0.00 C ATOM 960 C LEU A 64 30.011 22.172 13.238 1.00 0.00 C ATOM 961 O LEU A 64 29.755 23.077 14.037 1.00 0.00 O ATOM 962 CB LEU A 64 32.114 22.535 11.857 1.00 0.00 C ATOM 963 CG LEU A 64 32.793 22.669 10.479 1.00 0.00 C ATOM 964 CD1 LEU A 64 34.300 22.856 10.662 1.00 0.00 C ATOM 965 CD2 LEU A 64 32.578 21.435 9.600 1.00 0.00 C ATOM 0 H LEU A 64 30.179 24.537 11.987 1.00 0.00 H new ATOM 0 HA LEU A 64 30.247 21.694 11.168 1.00 0.00 H new ATOM 0 HB2 LEU A 64 32.429 23.372 12.480 1.00 0.00 H new ATOM 0 HB3 LEU A 64 32.479 21.626 12.336 1.00 0.00 H new ATOM 0 HG LEU A 64 32.341 23.531 9.988 1.00 0.00 H new ATOM 0 HD11 LEU A 64 34.776 22.950 9.686 1.00 0.00 H new ATOM 0 HD12 LEU A 64 34.487 23.758 11.245 1.00 0.00 H new ATOM 0 HD13 LEU A 64 34.713 21.993 11.185 1.00 0.00 H new ATOM 0 HD21 LEU A 64 33.076 21.580 8.641 1.00 0.00 H new ATOM 0 HD22 LEU A 64 32.994 20.558 10.096 1.00 0.00 H new ATOM 0 HD23 LEU A 64 31.511 21.287 9.436 1.00 0.00 H new ATOM 977 N GLY A 65 29.854 20.879 13.543 1.00 0.00 N ATOM 978 CA GLY A 65 29.320 20.390 14.822 1.00 0.00 C ATOM 979 C GLY A 65 27.816 20.643 15.032 1.00 0.00 C ATOM 980 O GLY A 65 27.085 21.013 14.107 1.00 0.00 O ATOM 0 H GLY A 65 30.099 20.128 12.897 1.00 0.00 H new ATOM 0 HA2 GLY A 65 29.507 19.318 14.892 1.00 0.00 H new ATOM 0 HA3 GLY A 65 29.871 20.864 15.635 1.00 0.00 H new ATOM 984 N GLY A 66 27.356 20.437 16.271 1.00 0.00 N ATOM 985 CA GLY A 66 25.949 20.569 16.677 1.00 0.00 C ATOM 986 C GLY A 66 25.068 19.358 16.326 1.00 0.00 C ATOM 987 O GLY A 66 25.523 18.371 15.738 1.00 0.00 O ATOM 0 H GLY A 66 27.967 20.166 17.041 1.00 0.00 H new ATOM 0 HA2 GLY A 66 25.908 20.732 17.754 1.00 0.00 H new ATOM 0 HA3 GLY A 66 25.529 21.457 16.204 1.00 0.00 H new ATOM 991 N SER A 67 23.794 19.431 16.723 1.00 0.00 N ATOM 992 CA SER A 67 22.804 18.348 16.575 1.00 0.00 C ATOM 993 C SER A 67 22.408 18.078 15.113 1.00 0.00 C ATOM 994 O SER A 67 22.413 18.983 14.273 1.00 0.00 O ATOM 995 CB SER A 67 21.542 18.665 17.390 1.00 0.00 C ATOM 996 OG SER A 67 21.864 18.880 18.760 1.00 0.00 O ATOM 0 H SER A 67 23.408 20.264 17.168 1.00 0.00 H new ATOM 0 HA SER A 67 23.285 17.445 16.951 1.00 0.00 H new ATOM 0 HB2 SER A 67 21.054 19.551 16.983 1.00 0.00 H new ATOM 0 HB3 SER A 67 20.832 17.842 17.304 1.00 0.00 H new ATOM 0 HG SER A 67 21.046 19.082 19.260 1.00 0.00 H new ATOM 1002 N GLY A 68 22.025 16.828 14.818 1.00 0.00 N ATOM 1003 CA GLY A 68 21.502 16.407 13.509 1.00 0.00 C ATOM 1004 C GLY A 68 20.080 16.915 13.203 1.00 0.00 C ATOM 1005 O GLY A 68 19.438 17.576 14.029 1.00 0.00 O ATOM 0 H GLY A 68 22.071 16.066 15.495 1.00 0.00 H new ATOM 0 HA2 GLY A 68 22.177 16.761 12.730 1.00 0.00 H new ATOM 0 HA3 GLY A 68 21.504 15.318 13.463 1.00 0.00 H new ATOM 1009 N GLY A 69 19.581 16.592 12.006 1.00 0.00 N ATOM 1010 CA GLY A 69 18.229 16.940 11.551 1.00 0.00 C ATOM 1011 C GLY A 69 17.101 16.224 12.314 1.00 0.00 C ATOM 1012 O GLY A 69 17.312 15.188 12.952 1.00 0.00 O ATOM 0 H GLY A 69 20.116 16.071 11.311 1.00 0.00 H new ATOM 0 HA2 GLY A 69 18.091 18.017 11.649 1.00 0.00 H new ATOM 0 HA3 GLY A 69 18.143 16.702 10.491 1.00 0.00 H new ATOM 1016 N SER A 70 15.887 16.781 12.239 1.00 0.00 N ATOM 1017 CA SER A 70 14.690 16.287 12.947 1.00 0.00 C ATOM 1018 C SER A 70 13.967 15.123 12.243 1.00 0.00 C ATOM 1019 O SER A 70 13.222 14.384 12.892 1.00 0.00 O ATOM 1020 CB SER A 70 13.727 17.456 13.180 1.00 0.00 C ATOM 1021 OG SER A 70 13.403 18.090 11.948 1.00 0.00 O ATOM 0 H SER A 70 15.700 17.608 11.672 1.00 0.00 H new ATOM 0 HA SER A 70 15.036 15.874 13.894 1.00 0.00 H new ATOM 0 HB2 SER A 70 12.817 17.095 13.660 1.00 0.00 H new ATOM 0 HB3 SER A 70 14.180 18.178 13.859 1.00 0.00 H new ATOM 0 HG SER A 70 12.786 18.833 12.115 1.00 0.00 H new ATOM 1027 N ARG A 71 14.203 14.926 10.938 1.00 0.00 N ATOM 1028 CA ARG A 71 13.675 13.801 10.140 1.00 0.00 C ATOM 1029 C ARG A 71 14.593 12.568 10.186 1.00 0.00 C ATOM 1030 O ARG A 71 15.808 12.689 10.367 1.00 0.00 O ATOM 1031 CB ARG A 71 13.398 14.256 8.692 1.00 0.00 C ATOM 1032 CG ARG A 71 12.186 15.197 8.629 1.00 0.00 C ATOM 1033 CD ARG A 71 11.789 15.541 7.187 1.00 0.00 C ATOM 1034 NE ARG A 71 12.680 16.552 6.577 1.00 0.00 N ATOM 1035 CZ ARG A 71 12.494 17.861 6.591 1.00 0.00 C ATOM 1036 NH1 ARG A 71 11.583 18.429 7.323 1.00 0.00 N ATOM 1037 NH2 ARG A 71 13.221 18.645 5.852 1.00 0.00 N ATOM 0 H ARG A 71 14.783 15.561 10.389 1.00 0.00 H new ATOM 0 HA ARG A 71 12.731 13.491 10.589 1.00 0.00 H new ATOM 0 HB2 ARG A 71 14.277 14.763 8.293 1.00 0.00 H new ATOM 0 HB3 ARG A 71 13.219 13.385 8.062 1.00 0.00 H new ATOM 0 HG2 ARG A 71 11.340 14.731 9.135 1.00 0.00 H new ATOM 0 HG3 ARG A 71 12.414 16.116 9.170 1.00 0.00 H new ATOM 0 HD2 ARG A 71 11.808 14.634 6.583 1.00 0.00 H new ATOM 0 HD3 ARG A 71 10.764 15.911 7.175 1.00 0.00 H new ATOM 0 HE ARG A 71 13.514 16.208 6.102 1.00 0.00 H new ATOM 0 HH11 ARG A 71 10.978 17.861 7.916 1.00 0.00 H new ATOM 0 HH12 ARG A 71 11.473 19.443 7.304 1.00 0.00 H new ATOM 0 HH21 ARG A 71 13.946 18.252 5.251 1.00 0.00 H new ATOM 0 HH22 ARG A 71 13.067 19.653 5.873 1.00 0.00 H new ATOM 1051 N LYS A 72 13.995 11.383 10.006 1.00 0.00 N ATOM 1052 CA LYS A 72 14.647 10.056 10.049 1.00 0.00 C ATOM 1053 C LYS A 72 14.014 9.056 9.068 1.00 0.00 C ATOM 1054 O LYS A 72 12.934 9.300 8.526 1.00 0.00 O ATOM 1055 CB LYS A 72 14.638 9.525 11.500 1.00 0.00 C ATOM 1056 CG LYS A 72 13.227 9.289 12.071 1.00 0.00 C ATOM 1057 CD LYS A 72 13.299 8.748 13.506 1.00 0.00 C ATOM 1058 CE LYS A 72 11.883 8.508 14.052 1.00 0.00 C ATOM 1059 NZ LYS A 72 11.913 7.972 15.442 1.00 0.00 N ATOM 0 H LYS A 72 12.995 11.314 9.817 1.00 0.00 H new ATOM 0 HA LYS A 72 15.680 10.173 9.722 1.00 0.00 H new ATOM 0 HB2 LYS A 72 15.195 8.589 11.537 1.00 0.00 H new ATOM 0 HB3 LYS A 72 15.164 10.234 12.139 1.00 0.00 H new ATOM 0 HG2 LYS A 72 12.664 10.223 12.058 1.00 0.00 H new ATOM 0 HG3 LYS A 72 12.688 8.583 11.439 1.00 0.00 H new ATOM 0 HD2 LYS A 72 13.867 7.818 13.524 1.00 0.00 H new ATOM 0 HD3 LYS A 72 13.828 9.456 14.144 1.00 0.00 H new ATOM 0 HE2 LYS A 72 11.323 9.443 14.034 1.00 0.00 H new ATOM 0 HE3 LYS A 72 11.356 7.808 13.403 1.00 0.00 H new ATOM 0 HZ1 LYS A 72 10.940 7.822 15.777 1.00 0.00 H new ATOM 0 HZ2 LYS A 72 12.426 7.068 15.454 1.00 0.00 H new ATOM 0 HZ3 LYS A 72 12.394 8.651 16.066 1.00 0.00 H new ATOM 1073 N ASP A 73 14.688 7.928 8.840 1.00 0.00 N ATOM 1074 CA ASP A 73 14.207 6.838 7.975 1.00 0.00 C ATOM 1075 C ASP A 73 12.997 6.080 8.570 1.00 0.00 C ATOM 1076 O ASP A 73 12.739 6.139 9.776 1.00 0.00 O ATOM 1077 CB ASP A 73 15.384 5.899 7.670 1.00 0.00 C ATOM 1078 CG ASP A 73 15.049 4.845 6.600 1.00 0.00 C ATOM 1079 OD1 ASP A 73 14.310 5.171 5.642 1.00 0.00 O ATOM 1080 OD2 ASP A 73 15.535 3.696 6.723 1.00 0.00 O ATOM 0 H ASP A 73 15.600 7.738 9.256 1.00 0.00 H new ATOM 0 HA ASP A 73 13.834 7.271 7.047 1.00 0.00 H new ATOM 0 HB2 ASP A 73 16.236 6.490 7.336 1.00 0.00 H new ATOM 0 HB3 ASP A 73 15.686 5.394 8.588 1.00 0.00 H new ATOM 1085 N LEU A 74 12.248 5.370 7.717 1.00 0.00 N ATOM 1086 CA LEU A 74 10.948 4.754 8.017 1.00 0.00 C ATOM 1087 C LEU A 74 10.800 3.300 7.522 1.00 0.00 C ATOM 1088 O LEU A 74 11.496 2.859 6.606 1.00 0.00 O ATOM 1089 CB LEU A 74 9.815 5.662 7.486 1.00 0.00 C ATOM 1090 CG LEU A 74 9.544 5.635 5.964 1.00 0.00 C ATOM 1091 CD1 LEU A 74 8.337 6.524 5.659 1.00 0.00 C ATOM 1092 CD2 LEU A 74 10.718 6.126 5.112 1.00 0.00 C ATOM 0 H LEU A 74 12.544 5.201 6.756 1.00 0.00 H new ATOM 0 HA LEU A 74 10.878 4.674 9.102 1.00 0.00 H new ATOM 0 HB2 LEU A 74 8.893 5.387 7.998 1.00 0.00 H new ATOM 0 HB3 LEU A 74 10.044 6.689 7.771 1.00 0.00 H new ATOM 0 HG LEU A 74 9.370 4.591 5.704 1.00 0.00 H new ATOM 0 HD11 LEU A 74 8.138 6.512 4.587 1.00 0.00 H new ATOM 0 HD12 LEU A 74 7.465 6.150 6.195 1.00 0.00 H new ATOM 0 HD13 LEU A 74 8.548 7.545 5.977 1.00 0.00 H new ATOM 0 HD21 LEU A 74 10.448 6.076 4.057 1.00 0.00 H new ATOM 0 HD22 LEU A 74 10.954 7.156 5.378 1.00 0.00 H new ATOM 0 HD23 LEU A 74 11.588 5.496 5.294 1.00 0.00 H new ATOM 1104 N SER A 75 9.831 2.583 8.103 1.00 0.00 N ATOM 1105 CA SER A 75 9.489 1.189 7.772 1.00 0.00 C ATOM 1106 C SER A 75 7.993 1.050 7.453 1.00 0.00 C ATOM 1107 O SER A 75 7.172 0.801 8.339 1.00 0.00 O ATOM 1108 CB SER A 75 9.908 0.251 8.916 1.00 0.00 C ATOM 1109 OG SER A 75 11.321 0.263 9.076 1.00 0.00 O ATOM 0 H SER A 75 9.242 2.967 8.842 1.00 0.00 H new ATOM 0 HA SER A 75 10.041 0.900 6.877 1.00 0.00 H new ATOM 0 HB2 SER A 75 9.428 0.562 9.844 1.00 0.00 H new ATOM 0 HB3 SER A 75 9.568 -0.763 8.706 1.00 0.00 H new ATOM 0 HG SER A 75 11.572 -0.337 9.809 1.00 0.00 H new ATOM 1115 N VAL A 76 7.637 1.247 6.178 1.00 0.00 N ATOM 1116 CA VAL A 76 6.257 1.168 5.649 1.00 0.00 C ATOM 1117 C VAL A 76 6.187 0.270 4.401 1.00 0.00 C ATOM 1118 O VAL A 76 7.220 -0.103 3.845 1.00 0.00 O ATOM 1119 CB VAL A 76 5.680 2.575 5.371 1.00 0.00 C ATOM 1120 CG1 VAL A 76 5.620 3.428 6.644 1.00 0.00 C ATOM 1121 CG2 VAL A 76 6.467 3.352 4.308 1.00 0.00 C ATOM 0 H VAL A 76 8.321 1.474 5.456 1.00 0.00 H new ATOM 0 HA VAL A 76 5.635 0.708 6.416 1.00 0.00 H new ATOM 0 HB VAL A 76 4.673 2.394 4.994 1.00 0.00 H new ATOM 0 HG11 VAL A 76 5.209 4.409 6.406 1.00 0.00 H new ATOM 0 HG12 VAL A 76 4.984 2.937 7.381 1.00 0.00 H new ATOM 0 HG13 VAL A 76 6.624 3.545 7.051 1.00 0.00 H new ATOM 0 HG21 VAL A 76 6.010 4.331 4.160 1.00 0.00 H new ATOM 0 HG22 VAL A 76 7.498 3.479 4.639 1.00 0.00 H new ATOM 0 HG23 VAL A 76 6.453 2.799 3.369 1.00 0.00 H new ATOM 1131 N LYS A 77 4.972 -0.084 3.954 1.00 0.00 N ATOM 1132 CA LYS A 77 4.722 -0.938 2.775 1.00 0.00 C ATOM 1133 C LYS A 77 3.902 -0.211 1.699 1.00 0.00 C ATOM 1134 O LYS A 77 2.937 0.487 2.015 1.00 0.00 O ATOM 1135 CB LYS A 77 4.024 -2.240 3.208 1.00 0.00 C ATOM 1136 CG LYS A 77 4.866 -3.056 4.203 1.00 0.00 C ATOM 1137 CD LYS A 77 4.156 -4.359 4.601 1.00 0.00 C ATOM 1138 CE LYS A 77 5.016 -5.143 5.603 1.00 0.00 C ATOM 1139 NZ LYS A 77 4.342 -6.396 6.042 1.00 0.00 N ATOM 0 H LYS A 77 4.113 0.222 4.411 1.00 0.00 H new ATOM 0 HA LYS A 77 5.686 -1.181 2.328 1.00 0.00 H new ATOM 0 HB2 LYS A 77 3.063 -2.000 3.662 1.00 0.00 H new ATOM 0 HB3 LYS A 77 3.817 -2.848 2.327 1.00 0.00 H new ATOM 0 HG2 LYS A 77 5.834 -3.288 3.758 1.00 0.00 H new ATOM 0 HG3 LYS A 77 5.060 -2.459 5.094 1.00 0.00 H new ATOM 0 HD2 LYS A 77 3.185 -4.133 5.042 1.00 0.00 H new ATOM 0 HD3 LYS A 77 3.971 -4.967 3.715 1.00 0.00 H new ATOM 0 HE2 LYS A 77 5.976 -5.386 5.147 1.00 0.00 H new ATOM 0 HE3 LYS A 77 5.225 -4.518 6.471 1.00 0.00 H new ATOM 0 HZ1 LYS A 77 4.951 -6.900 6.718 1.00 0.00 H new ATOM 0 HZ2 LYS A 77 3.438 -6.162 6.499 1.00 0.00 H new ATOM 0 HZ3 LYS A 77 4.166 -7.003 5.216 1.00 0.00 H new ATOM 1153 N GLY A 78 4.261 -0.415 0.430 1.00 0.00 N ATOM 1154 CA GLY A 78 3.563 0.124 -0.745 1.00 0.00 C ATOM 1155 C GLY A 78 3.932 -0.576 -2.061 1.00 0.00 C ATOM 1156 O GLY A 78 4.730 -1.518 -2.081 1.00 0.00 O ATOM 0 H GLY A 78 5.073 -0.979 0.181 1.00 0.00 H new ATOM 0 HA2 GLY A 78 2.488 0.038 -0.588 1.00 0.00 H new ATOM 0 HA3 GLY A 78 3.789 1.187 -0.834 1.00 0.00 H new ATOM 1160 N MET A 79 3.339 -0.116 -3.166 1.00 0.00 N ATOM 1161 CA MET A 79 3.593 -0.628 -4.525 1.00 0.00 C ATOM 1162 C MET A 79 4.891 -0.055 -5.132 1.00 0.00 C ATOM 1163 O MET A 79 5.385 0.986 -4.699 1.00 0.00 O ATOM 1164 CB MET A 79 2.383 -0.330 -5.431 1.00 0.00 C ATOM 1165 CG MET A 79 1.112 -1.056 -4.967 1.00 0.00 C ATOM 1166 SD MET A 79 -0.324 -0.874 -6.064 1.00 0.00 S ATOM 1167 CE MET A 79 -0.716 0.883 -5.833 1.00 0.00 C ATOM 0 H MET A 79 2.653 0.639 -3.146 1.00 0.00 H new ATOM 0 HA MET A 79 3.731 -1.707 -4.455 1.00 0.00 H new ATOM 0 HB2 MET A 79 2.200 0.744 -5.446 1.00 0.00 H new ATOM 0 HB3 MET A 79 2.616 -0.628 -6.453 1.00 0.00 H new ATOM 0 HG2 MET A 79 1.337 -2.117 -4.861 1.00 0.00 H new ATOM 0 HG3 MET A 79 0.843 -0.687 -3.977 1.00 0.00 H new ATOM 0 HE1 MET A 79 -1.600 1.138 -6.417 1.00 0.00 H new ATOM 0 HE2 MET A 79 -0.909 1.077 -4.778 1.00 0.00 H new ATOM 0 HE3 MET A 79 0.126 1.490 -6.165 1.00 0.00 H new ATOM 1177 N LEU A 80 5.436 -0.738 -6.151 1.00 0.00 N ATOM 1178 CA LEU A 80 6.703 -0.390 -6.809 1.00 0.00 C ATOM 1179 C LEU A 80 6.708 1.051 -7.364 1.00 0.00 C ATOM 1180 O LEU A 80 5.830 1.427 -8.143 1.00 0.00 O ATOM 1181 CB LEU A 80 6.983 -1.432 -7.909 1.00 0.00 C ATOM 1182 CG LEU A 80 8.307 -1.239 -8.673 1.00 0.00 C ATOM 1183 CD1 LEU A 80 9.528 -1.392 -7.763 1.00 0.00 C ATOM 1184 CD2 LEU A 80 8.411 -2.282 -9.784 1.00 0.00 C ATOM 0 H LEU A 80 4.996 -1.568 -6.549 1.00 0.00 H new ATOM 0 HA LEU A 80 7.504 -0.414 -6.070 1.00 0.00 H new ATOM 0 HB2 LEU A 80 6.984 -2.423 -7.456 1.00 0.00 H new ATOM 0 HB3 LEU A 80 6.162 -1.410 -8.626 1.00 0.00 H new ATOM 0 HG LEU A 80 8.300 -0.227 -9.078 1.00 0.00 H new ATOM 0 HD11 LEU A 80 10.437 -1.247 -8.347 1.00 0.00 H new ATOM 0 HD12 LEU A 80 9.485 -0.648 -6.968 1.00 0.00 H new ATOM 0 HD13 LEU A 80 9.533 -2.390 -7.325 1.00 0.00 H new ATOM 0 HD21 LEU A 80 9.348 -2.146 -10.325 1.00 0.00 H new ATOM 0 HD22 LEU A 80 8.385 -3.281 -9.349 1.00 0.00 H new ATOM 0 HD23 LEU A 80 7.574 -2.165 -10.473 1.00 0.00 H new ATOM 1196 N TYR A 81 7.725 1.839 -6.987 1.00 0.00 N ATOM 1197 CA TYR A 81 7.810 3.274 -7.298 1.00 0.00 C ATOM 1198 C TYR A 81 8.271 3.575 -8.738 1.00 0.00 C ATOM 1199 O TYR A 81 7.798 4.542 -9.340 1.00 0.00 O ATOM 1200 CB TYR A 81 8.742 3.958 -6.285 1.00 0.00 C ATOM 1201 CG TYR A 81 8.426 3.640 -4.833 1.00 0.00 C ATOM 1202 CD1 TYR A 81 7.226 4.105 -4.262 1.00 0.00 C ATOM 1203 CD2 TYR A 81 9.301 2.837 -4.074 1.00 0.00 C ATOM 1204 CE1 TYR A 81 6.885 3.754 -2.942 1.00 0.00 C ATOM 1205 CE2 TYR A 81 8.969 2.495 -2.749 1.00 0.00 C ATOM 1206 CZ TYR A 81 7.755 2.942 -2.181 1.00 0.00 C ATOM 1207 OH TYR A 81 7.416 2.564 -0.918 1.00 0.00 O ATOM 0 H TYR A 81 8.521 1.494 -6.451 1.00 0.00 H new ATOM 0 HA TYR A 81 6.799 3.674 -7.222 1.00 0.00 H new ATOM 0 HB2 TYR A 81 9.769 3.660 -6.495 1.00 0.00 H new ATOM 0 HB3 TYR A 81 8.687 5.037 -6.429 1.00 0.00 H new ATOM 0 HD1 TYR A 81 6.564 4.734 -4.839 1.00 0.00 H new ATOM 0 HD2 TYR A 81 10.225 2.484 -4.508 1.00 0.00 H new ATOM 0 HE1 TYR A 81 5.959 4.105 -2.511 1.00 0.00 H new ATOM 0 HE2 TYR A 81 9.645 1.889 -2.165 1.00 0.00 H new ATOM 0 HH TYR A 81 7.530 1.595 -0.825 1.00 0.00 H new ATOM 1217 N ASP A 82 9.162 2.734 -9.289 1.00 0.00 N ATOM 1218 CA ASP A 82 9.899 2.941 -10.554 1.00 0.00 C ATOM 1219 C ASP A 82 10.803 4.205 -10.553 1.00 0.00 C ATOM 1220 O ASP A 82 10.775 5.021 -9.626 1.00 0.00 O ATOM 1221 CB ASP A 82 8.917 2.856 -11.747 1.00 0.00 C ATOM 1222 CG ASP A 82 9.589 2.717 -13.127 1.00 0.00 C ATOM 1223 OD1 ASP A 82 10.732 2.209 -13.211 1.00 0.00 O ATOM 1224 OD2 ASP A 82 8.976 3.133 -14.137 1.00 0.00 O ATOM 0 H ASP A 82 9.402 1.847 -8.846 1.00 0.00 H new ATOM 0 HA ASP A 82 10.620 2.132 -10.666 1.00 0.00 H new ATOM 0 HB2 ASP A 82 8.254 2.005 -11.594 1.00 0.00 H new ATOM 0 HB3 ASP A 82 8.293 3.750 -11.750 1.00 0.00 H new ATOM 1229 N SER A 83 11.638 4.370 -11.586 1.00 0.00 N ATOM 1230 CA SER A 83 12.548 5.519 -11.788 1.00 0.00 C ATOM 1231 C SER A 83 11.801 6.779 -12.275 1.00 0.00 C ATOM 1232 O SER A 83 12.179 7.430 -13.253 1.00 0.00 O ATOM 1233 CB SER A 83 13.705 5.135 -12.728 1.00 0.00 C ATOM 1234 OG SER A 83 14.507 4.104 -12.165 1.00 0.00 O ATOM 0 H SER A 83 11.706 3.683 -12.337 1.00 0.00 H new ATOM 0 HA SER A 83 12.975 5.777 -10.819 1.00 0.00 H new ATOM 0 HB2 SER A 83 13.304 4.805 -13.686 1.00 0.00 H new ATOM 0 HB3 SER A 83 14.322 6.012 -12.926 1.00 0.00 H new ATOM 0 HG SER A 83 15.233 3.879 -12.784 1.00 0.00 H new ATOM 1240 N ASP A 84 10.691 7.097 -11.611 1.00 0.00 N ATOM 1241 CA ASP A 84 9.719 8.125 -11.982 1.00 0.00 C ATOM 1242 C ASP A 84 10.105 9.533 -11.494 1.00 0.00 C ATOM 1243 O ASP A 84 10.356 9.753 -10.306 1.00 0.00 O ATOM 1244 CB ASP A 84 8.358 7.701 -11.423 1.00 0.00 C ATOM 1245 CG ASP A 84 7.325 8.832 -11.519 1.00 0.00 C ATOM 1246 OD1 ASP A 84 7.004 9.264 -12.650 1.00 0.00 O ATOM 1247 OD2 ASP A 84 6.847 9.272 -10.448 1.00 0.00 O ATOM 0 H ASP A 84 10.431 6.616 -10.750 1.00 0.00 H new ATOM 0 HA ASP A 84 9.688 8.201 -13.069 1.00 0.00 H new ATOM 0 HB2 ASP A 84 7.996 6.830 -11.970 1.00 0.00 H new ATOM 0 HB3 ASP A 84 8.471 7.399 -10.382 1.00 0.00 H new ATOM 1252 N SER A 85 10.081 10.506 -12.406 1.00 0.00 N ATOM 1253 CA SER A 85 10.431 11.910 -12.149 1.00 0.00 C ATOM 1254 C SER A 85 9.578 12.561 -11.056 1.00 0.00 C ATOM 1255 O SER A 85 10.119 13.251 -10.194 1.00 0.00 O ATOM 1256 CB SER A 85 10.302 12.720 -13.447 1.00 0.00 C ATOM 1257 OG SER A 85 9.034 12.496 -14.051 1.00 0.00 O ATOM 0 H SER A 85 9.810 10.337 -13.375 1.00 0.00 H new ATOM 0 HA SER A 85 11.460 11.913 -11.790 1.00 0.00 H new ATOM 0 HB2 SER A 85 10.427 13.782 -13.234 1.00 0.00 H new ATOM 0 HB3 SER A 85 11.096 12.438 -14.139 1.00 0.00 H new ATOM 0 HG SER A 85 8.967 13.021 -14.876 1.00 0.00 H new ATOM 1263 N GLN A 86 8.263 12.322 -11.051 1.00 0.00 N ATOM 1264 CA GLN A 86 7.334 12.993 -10.131 1.00 0.00 C ATOM 1265 C GLN A 86 7.490 12.521 -8.682 1.00 0.00 C ATOM 1266 O GLN A 86 7.539 13.356 -7.778 1.00 0.00 O ATOM 1267 CB GLN A 86 5.884 12.836 -10.625 1.00 0.00 C ATOM 1268 CG GLN A 86 5.647 13.502 -11.993 1.00 0.00 C ATOM 1269 CD GLN A 86 4.187 13.399 -12.430 1.00 0.00 C ATOM 1270 OE1 GLN A 86 3.803 12.552 -13.227 1.00 0.00 O ATOM 1271 NE2 GLN A 86 3.310 14.247 -11.934 1.00 0.00 N ATOM 0 H GLN A 86 7.812 11.660 -11.682 1.00 0.00 H new ATOM 0 HA GLN A 86 7.588 14.053 -10.130 1.00 0.00 H new ATOM 0 HB2 GLN A 86 5.641 11.776 -10.695 1.00 0.00 H new ATOM 0 HB3 GLN A 86 5.205 13.271 -9.891 1.00 0.00 H new ATOM 0 HG2 GLN A 86 5.938 14.551 -11.941 1.00 0.00 H new ATOM 0 HG3 GLN A 86 6.284 13.031 -12.742 1.00 0.00 H new ATOM 0 HE21 GLN A 86 3.610 14.960 -11.269 1.00 0.00 H new ATOM 0 HE22 GLN A 86 2.331 14.191 -12.215 1.00 0.00 H new ATOM 1280 N GLN A 87 7.636 11.216 -8.435 1.00 0.00 N ATOM 1281 CA GLN A 87 7.888 10.684 -7.086 1.00 0.00 C ATOM 1282 C GLN A 87 9.267 11.097 -6.549 1.00 0.00 C ATOM 1283 O GLN A 87 9.375 11.480 -5.385 1.00 0.00 O ATOM 1284 CB GLN A 87 7.739 9.155 -7.091 1.00 0.00 C ATOM 1285 CG GLN A 87 6.265 8.724 -7.177 1.00 0.00 C ATOM 1286 CD GLN A 87 6.159 7.261 -7.592 1.00 0.00 C ATOM 1287 OE1 GLN A 87 5.976 6.358 -6.788 1.00 0.00 O ATOM 1288 NE2 GLN A 87 6.315 6.980 -8.864 1.00 0.00 N ATOM 0 H GLN A 87 7.584 10.499 -9.158 1.00 0.00 H new ATOM 0 HA GLN A 87 7.146 11.114 -6.414 1.00 0.00 H new ATOM 0 HB2 GLN A 87 8.289 8.739 -7.935 1.00 0.00 H new ATOM 0 HB3 GLN A 87 8.186 8.743 -6.186 1.00 0.00 H new ATOM 0 HG2 GLN A 87 5.781 8.870 -6.212 1.00 0.00 H new ATOM 0 HG3 GLN A 87 5.738 9.351 -7.896 1.00 0.00 H new ATOM 0 HE21 GLN A 87 6.468 7.731 -9.537 1.00 0.00 H new ATOM 0 HE22 GLN A 87 6.283 6.011 -9.180 1.00 0.00 H new ATOM 1297 N ILE A 88 10.308 11.110 -7.396 1.00 0.00 N ATOM 1298 CA ILE A 88 11.646 11.596 -7.011 1.00 0.00 C ATOM 1299 C ILE A 88 11.612 13.096 -6.689 1.00 0.00 C ATOM 1300 O ILE A 88 12.107 13.502 -5.642 1.00 0.00 O ATOM 1301 CB ILE A 88 12.693 11.193 -8.083 1.00 0.00 C ATOM 1302 CG1 ILE A 88 13.338 9.835 -7.736 1.00 0.00 C ATOM 1303 CG2 ILE A 88 13.845 12.203 -8.240 1.00 0.00 C ATOM 1304 CD1 ILE A 88 12.383 8.635 -7.651 1.00 0.00 C ATOM 0 H ILE A 88 10.249 10.786 -8.362 1.00 0.00 H new ATOM 0 HA ILE A 88 11.963 11.113 -6.087 1.00 0.00 H new ATOM 0 HB ILE A 88 12.130 11.152 -9.015 1.00 0.00 H new ATOM 0 HG12 ILE A 88 14.099 9.615 -8.485 1.00 0.00 H new ATOM 0 HG13 ILE A 88 13.851 9.933 -6.779 1.00 0.00 H new ATOM 0 HG21 ILE A 88 14.535 11.851 -9.007 1.00 0.00 H new ATOM 0 HG22 ILE A 88 13.442 13.173 -8.532 1.00 0.00 H new ATOM 0 HG23 ILE A 88 14.375 12.301 -7.292 1.00 0.00 H new ATOM 0 HD11 ILE A 88 12.948 7.737 -7.401 1.00 0.00 H new ATOM 0 HD12 ILE A 88 11.635 8.819 -6.880 1.00 0.00 H new ATOM 0 HD13 ILE A 88 11.887 8.496 -8.612 1.00 0.00 H new ATOM 1316 N LEU A 89 10.960 13.914 -7.520 1.00 0.00 N ATOM 1317 CA LEU A 89 10.763 15.346 -7.250 1.00 0.00 C ATOM 1318 C LEU A 89 10.007 15.578 -5.931 1.00 0.00 C ATOM 1319 O LEU A 89 10.455 16.378 -5.113 1.00 0.00 O ATOM 1320 CB LEU A 89 10.023 15.986 -8.445 1.00 0.00 C ATOM 1321 CG LEU A 89 9.642 17.474 -8.278 1.00 0.00 C ATOM 1322 CD1 LEU A 89 10.868 18.387 -8.194 1.00 0.00 C ATOM 1323 CD2 LEU A 89 8.795 17.930 -9.460 1.00 0.00 C ATOM 0 H LEU A 89 10.552 13.604 -8.402 1.00 0.00 H new ATOM 0 HA LEU A 89 11.737 15.822 -7.134 1.00 0.00 H new ATOM 0 HB2 LEU A 89 10.650 15.888 -9.332 1.00 0.00 H new ATOM 0 HB3 LEU A 89 9.113 15.416 -8.633 1.00 0.00 H new ATOM 0 HG LEU A 89 9.087 17.550 -7.343 1.00 0.00 H new ATOM 0 HD11 LEU A 89 10.544 19.421 -8.077 1.00 0.00 H new ATOM 0 HD12 LEU A 89 11.478 18.099 -7.338 1.00 0.00 H new ATOM 0 HD13 LEU A 89 11.456 18.292 -9.107 1.00 0.00 H new ATOM 0 HD21 LEU A 89 8.531 18.980 -9.335 1.00 0.00 H new ATOM 0 HD22 LEU A 89 9.362 17.806 -10.383 1.00 0.00 H new ATOM 0 HD23 LEU A 89 7.886 17.330 -9.509 1.00 0.00 H new ATOM 1335 N ASN A 90 8.906 14.860 -5.694 1.00 0.00 N ATOM 1336 CA ASN A 90 8.143 14.980 -4.443 1.00 0.00 C ATOM 1337 C ASN A 90 9.001 14.602 -3.230 1.00 0.00 C ATOM 1338 O ASN A 90 9.116 15.405 -2.307 1.00 0.00 O ATOM 1339 CB ASN A 90 6.839 14.161 -4.518 1.00 0.00 C ATOM 1340 CG ASN A 90 5.706 14.951 -5.153 1.00 0.00 C ATOM 1341 OD1 ASN A 90 4.936 15.620 -4.479 1.00 0.00 O ATOM 1342 ND2 ASN A 90 5.577 14.928 -6.459 1.00 0.00 N ATOM 0 H ASN A 90 8.519 14.185 -6.354 1.00 0.00 H new ATOM 0 HA ASN A 90 7.860 16.024 -4.311 1.00 0.00 H new ATOM 0 HB2 ASN A 90 7.014 13.252 -5.094 1.00 0.00 H new ATOM 0 HB3 ASN A 90 6.547 13.851 -3.514 1.00 0.00 H new ATOM 0 HD21 ASN A 90 4.836 15.467 -6.908 1.00 0.00 H new ATOM 0 HD22 ASN A 90 6.217 14.371 -7.025 1.00 0.00 H new ATOM 1349 N ARG A 91 9.689 13.452 -3.245 1.00 0.00 N ATOM 1350 CA ARG A 91 10.542 13.041 -2.114 1.00 0.00 C ATOM 1351 C ARG A 91 11.730 13.973 -1.907 1.00 0.00 C ATOM 1352 O ARG A 91 12.045 14.273 -0.761 1.00 0.00 O ATOM 1353 CB ARG A 91 10.954 11.563 -2.262 1.00 0.00 C ATOM 1354 CG ARG A 91 11.753 10.988 -1.067 1.00 0.00 C ATOM 1355 CD ARG A 91 11.174 11.252 0.340 1.00 0.00 C ATOM 1356 NE ARG A 91 9.703 11.136 0.402 1.00 0.00 N ATOM 1357 CZ ARG A 91 8.943 10.070 0.267 1.00 0.00 C ATOM 1358 NH1 ARG A 91 9.429 8.868 0.145 1.00 0.00 N ATOM 1359 NH2 ARG A 91 7.660 10.238 0.239 1.00 0.00 N ATOM 0 H ARG A 91 9.674 12.791 -4.022 1.00 0.00 H new ATOM 0 HA ARG A 91 9.953 13.127 -1.201 1.00 0.00 H new ATOM 0 HB2 ARG A 91 10.055 10.962 -2.402 1.00 0.00 H new ATOM 0 HB3 ARG A 91 11.553 11.456 -3.166 1.00 0.00 H new ATOM 0 HG2 ARG A 91 11.841 9.910 -1.203 1.00 0.00 H new ATOM 0 HG3 ARG A 91 12.762 11.398 -1.103 1.00 0.00 H new ATOM 0 HD2 ARG A 91 11.616 10.548 1.044 1.00 0.00 H new ATOM 0 HD3 ARG A 91 11.466 12.251 0.663 1.00 0.00 H new ATOM 0 HE ARG A 91 9.204 12.009 0.574 1.00 0.00 H new ATOM 0 HH11 ARG A 91 10.439 8.723 0.152 1.00 0.00 H new ATOM 0 HH12 ARG A 91 8.800 8.072 0.043 1.00 0.00 H new ATOM 0 HH21 ARG A 91 7.267 11.176 0.320 1.00 0.00 H new ATOM 0 HH22 ARG A 91 7.042 9.433 0.135 1.00 0.00 H new ATOM 1373 N LEU A 92 12.330 14.507 -2.970 1.00 0.00 N ATOM 1374 CA LEU A 92 13.379 15.526 -2.843 1.00 0.00 C ATOM 1375 C LEU A 92 12.837 16.787 -2.154 1.00 0.00 C ATOM 1376 O LEU A 92 13.460 17.283 -1.220 1.00 0.00 O ATOM 1377 CB LEU A 92 13.953 15.828 -4.240 1.00 0.00 C ATOM 1378 CG LEU A 92 15.076 16.882 -4.273 1.00 0.00 C ATOM 1379 CD1 LEU A 92 16.295 16.488 -3.440 1.00 0.00 C ATOM 1380 CD2 LEU A 92 15.521 17.060 -5.719 1.00 0.00 C ATOM 0 H LEU A 92 12.109 14.252 -3.933 1.00 0.00 H new ATOM 0 HA LEU A 92 14.185 15.152 -2.211 1.00 0.00 H new ATOM 0 HB2 LEU A 92 14.334 14.900 -4.667 1.00 0.00 H new ATOM 0 HB3 LEU A 92 13.141 16.165 -4.884 1.00 0.00 H new ATOM 0 HG LEU A 92 14.674 17.801 -3.847 1.00 0.00 H new ATOM 0 HD11 LEU A 92 17.049 17.272 -3.505 1.00 0.00 H new ATOM 0 HD12 LEU A 92 15.998 16.356 -2.400 1.00 0.00 H new ATOM 0 HD13 LEU A 92 16.709 15.554 -3.820 1.00 0.00 H new ATOM 0 HD21 LEU A 92 16.317 17.803 -5.766 1.00 0.00 H new ATOM 0 HD22 LEU A 92 15.889 16.110 -6.106 1.00 0.00 H new ATOM 0 HD23 LEU A 92 14.676 17.395 -6.321 1.00 0.00 H new ATOM 1392 N ARG A 93 11.654 17.271 -2.565 1.00 0.00 N ATOM 1393 CA ARG A 93 11.060 18.507 -2.033 1.00 0.00 C ATOM 1394 C ARG A 93 10.606 18.345 -0.580 1.00 0.00 C ATOM 1395 O ARG A 93 10.854 19.231 0.228 1.00 0.00 O ATOM 1396 CB ARG A 93 9.924 18.972 -2.968 1.00 0.00 C ATOM 1397 CG ARG A 93 9.657 20.480 -2.834 1.00 0.00 C ATOM 1398 CD ARG A 93 8.557 20.944 -3.801 1.00 0.00 C ATOM 1399 NE ARG A 93 8.631 22.404 -4.025 1.00 0.00 N ATOM 1400 CZ ARG A 93 9.209 23.032 -5.037 1.00 0.00 C ATOM 1401 NH1 ARG A 93 9.769 22.405 -6.030 1.00 0.00 N ATOM 1402 NH2 ARG A 93 9.252 24.329 -5.091 1.00 0.00 N ATOM 0 H ARG A 93 11.082 16.815 -3.276 1.00 0.00 H new ATOM 0 HA ARG A 93 11.821 19.287 -2.011 1.00 0.00 H new ATOM 0 HB2 ARG A 93 10.185 18.739 -4.000 1.00 0.00 H new ATOM 0 HB3 ARG A 93 9.013 18.419 -2.737 1.00 0.00 H new ATOM 0 HG2 ARG A 93 9.363 20.709 -1.810 1.00 0.00 H new ATOM 0 HG3 ARG A 93 10.575 21.032 -3.033 1.00 0.00 H new ATOM 0 HD2 ARG A 93 8.659 20.421 -4.752 1.00 0.00 H new ATOM 0 HD3 ARG A 93 7.579 20.683 -3.397 1.00 0.00 H new ATOM 0 HE ARG A 93 8.187 22.993 -3.321 1.00 0.00 H new ATOM 0 HH11 ARG A 93 9.775 21.385 -6.051 1.00 0.00 H new ATOM 0 HH12 ARG A 93 10.202 22.933 -6.788 1.00 0.00 H new ATOM 0 HH21 ARG A 93 8.835 24.885 -4.344 1.00 0.00 H new ATOM 0 HH22 ARG A 93 9.703 24.792 -5.880 1.00 0.00 H new ATOM 1416 N GLU A 94 10.057 17.188 -0.212 1.00 0.00 N ATOM 1417 CA GLU A 94 9.765 16.856 1.194 1.00 0.00 C ATOM 1418 C GLU A 94 11.055 16.861 2.034 1.00 0.00 C ATOM 1419 O GLU A 94 11.150 17.584 3.028 1.00 0.00 O ATOM 1420 CB GLU A 94 9.093 15.474 1.291 1.00 0.00 C ATOM 1421 CG GLU A 94 7.667 15.444 0.726 1.00 0.00 C ATOM 1422 CD GLU A 94 7.028 14.048 0.880 1.00 0.00 C ATOM 1423 OE1 GLU A 94 7.639 13.035 0.455 1.00 0.00 O ATOM 1424 OE2 GLU A 94 5.910 13.950 1.440 1.00 0.00 O ATOM 0 H GLU A 94 9.801 16.453 -0.872 1.00 0.00 H new ATOM 0 HA GLU A 94 9.086 17.614 1.585 1.00 0.00 H new ATOM 0 HB2 GLU A 94 9.702 14.745 0.757 1.00 0.00 H new ATOM 0 HB3 GLU A 94 9.068 15.164 2.336 1.00 0.00 H new ATOM 0 HG2 GLU A 94 7.055 16.185 1.241 1.00 0.00 H new ATOM 0 HG3 GLU A 94 7.686 15.723 -0.328 1.00 0.00 H new ATOM 1431 N ARG A 95 12.078 16.117 1.579 1.00 0.00 N ATOM 1432 CA ARG A 95 13.360 15.943 2.286 1.00 0.00 C ATOM 1433 C ARG A 95 14.080 17.272 2.540 1.00 0.00 C ATOM 1434 O ARG A 95 14.548 17.502 3.655 1.00 0.00 O ATOM 1435 CB ARG A 95 14.225 14.982 1.453 1.00 0.00 C ATOM 1436 CG ARG A 95 15.461 14.435 2.180 1.00 0.00 C ATOM 1437 CD ARG A 95 16.277 13.571 1.205 1.00 0.00 C ATOM 1438 NE ARG A 95 16.896 12.419 1.878 1.00 0.00 N ATOM 1439 CZ ARG A 95 18.084 12.311 2.434 1.00 0.00 C ATOM 1440 NH1 ARG A 95 18.939 13.291 2.509 1.00 0.00 N ATOM 1441 NH2 ARG A 95 18.400 11.155 2.938 1.00 0.00 N ATOM 0 H ARG A 95 12.037 15.611 0.694 1.00 0.00 H new ATOM 0 HA ARG A 95 13.172 15.526 3.275 1.00 0.00 H new ATOM 0 HB2 ARG A 95 13.607 14.143 1.135 1.00 0.00 H new ATOM 0 HB3 ARG A 95 14.551 15.499 0.550 1.00 0.00 H new ATOM 0 HG2 ARG A 95 16.071 15.257 2.555 1.00 0.00 H new ATOM 0 HG3 ARG A 95 15.158 13.843 3.044 1.00 0.00 H new ATOM 0 HD2 ARG A 95 15.628 13.218 0.403 1.00 0.00 H new ATOM 0 HD3 ARG A 95 17.053 14.181 0.742 1.00 0.00 H new ATOM 0 HE ARG A 95 16.319 11.579 1.920 1.00 0.00 H new ATOM 0 HH11 ARG A 95 18.702 14.205 2.124 1.00 0.00 H new ATOM 0 HH12 ARG A 95 19.845 13.144 2.953 1.00 0.00 H new ATOM 0 HH21 ARG A 95 17.738 10.380 2.892 1.00 0.00 H new ATOM 0 HH22 ARG A 95 19.310 11.023 3.380 1.00 0.00 H new ATOM 1455 N VAL A 96 14.116 18.152 1.535 1.00 0.00 N ATOM 1456 CA VAL A 96 14.895 19.406 1.569 1.00 0.00 C ATOM 1457 C VAL A 96 14.096 20.641 2.020 1.00 0.00 C ATOM 1458 O VAL A 96 14.668 21.527 2.657 1.00 0.00 O ATOM 1459 CB VAL A 96 15.569 19.613 0.200 1.00 0.00 C ATOM 1460 CG1 VAL A 96 14.601 20.138 -0.862 1.00 0.00 C ATOM 1461 CG2 VAL A 96 16.762 20.571 0.262 1.00 0.00 C ATOM 0 H VAL A 96 13.602 18.018 0.664 1.00 0.00 H new ATOM 0 HA VAL A 96 15.656 19.296 2.342 1.00 0.00 H new ATOM 0 HB VAL A 96 15.916 18.619 -0.080 1.00 0.00 H new ATOM 0 HG11 VAL A 96 15.131 20.265 -1.806 1.00 0.00 H new ATOM 0 HG12 VAL A 96 13.787 19.426 -0.996 1.00 0.00 H new ATOM 0 HG13 VAL A 96 14.195 21.098 -0.542 1.00 0.00 H new ATOM 0 HG21 VAL A 96 17.196 20.677 -0.732 1.00 0.00 H new ATOM 0 HG22 VAL A 96 16.428 21.546 0.618 1.00 0.00 H new ATOM 0 HG23 VAL A 96 17.513 20.173 0.945 1.00 0.00 H new ATOM 1471 N SER A 97 12.787 20.698 1.731 1.00 0.00 N ATOM 1472 CA SER A 97 11.937 21.889 1.925 1.00 0.00 C ATOM 1473 C SER A 97 10.720 21.661 2.840 1.00 0.00 C ATOM 1474 O SER A 97 10.058 22.635 3.207 1.00 0.00 O ATOM 1475 CB SER A 97 11.450 22.437 0.572 1.00 0.00 C ATOM 1476 OG SER A 97 12.538 22.820 -0.259 1.00 0.00 O ATOM 0 H SER A 97 12.277 19.902 1.348 1.00 0.00 H new ATOM 0 HA SER A 97 12.579 22.613 2.428 1.00 0.00 H new ATOM 0 HB2 SER A 97 10.853 21.679 0.065 1.00 0.00 H new ATOM 0 HB3 SER A 97 10.799 23.295 0.739 1.00 0.00 H new ATOM 0 HG SER A 97 12.195 23.162 -1.111 1.00 0.00 H new ATOM 1482 N GLY A 98 10.401 20.418 3.234 1.00 0.00 N ATOM 1483 CA GLY A 98 9.274 20.120 4.129 1.00 0.00 C ATOM 1484 C GLY A 98 9.485 20.605 5.573 1.00 0.00 C ATOM 1485 O GLY A 98 10.621 20.730 6.042 1.00 0.00 O ATOM 0 H GLY A 98 10.919 19.590 2.940 1.00 0.00 H new ATOM 0 HA2 GLY A 98 8.372 20.582 3.728 1.00 0.00 H new ATOM 0 HA3 GLY A 98 9.104 19.043 4.138 1.00 0.00 H new ATOM 1489 N SER A 99 8.389 20.843 6.296 1.00 0.00 N ATOM 1490 CA SER A 99 8.385 21.219 7.720 1.00 0.00 C ATOM 1491 C SER A 99 8.202 20.006 8.648 1.00 0.00 C ATOM 1492 O SER A 99 7.456 19.069 8.341 1.00 0.00 O ATOM 1493 CB SER A 99 7.332 22.304 7.988 1.00 0.00 C ATOM 1494 OG SER A 99 6.035 21.895 7.570 1.00 0.00 O ATOM 0 H SER A 99 7.451 20.779 5.900 1.00 0.00 H new ATOM 0 HA SER A 99 9.367 21.632 7.951 1.00 0.00 H new ATOM 0 HB2 SER A 99 7.314 22.538 9.052 1.00 0.00 H new ATOM 0 HB3 SER A 99 7.611 23.219 7.465 1.00 0.00 H new ATOM 0 HG SER A 99 5.391 22.609 7.757 1.00 0.00 H new ATOM 1500 N THR A 100 8.893 20.025 9.795 1.00 0.00 N ATOM 1501 CA THR A 100 8.853 18.976 10.835 1.00 0.00 C ATOM 1502 C THR A 100 9.005 19.609 12.225 1.00 0.00 C ATOM 1503 O THR A 100 9.866 20.468 12.425 1.00 0.00 O ATOM 1504 CB THR A 100 9.963 17.928 10.607 1.00 0.00 C ATOM 1505 OG1 THR A 100 9.848 17.359 9.315 1.00 0.00 O ATOM 1506 CG2 THR A 100 9.931 16.760 11.592 1.00 0.00 C ATOM 0 H THR A 100 9.517 20.794 10.037 1.00 0.00 H new ATOM 0 HA THR A 100 7.889 18.471 10.773 1.00 0.00 H new ATOM 0 HB THR A 100 10.893 18.480 10.743 1.00 0.00 H new ATOM 0 HG1 THR A 100 9.874 16.382 9.384 1.00 0.00 H new ATOM 0 HG21 THR A 100 10.743 16.069 11.364 1.00 0.00 H new ATOM 0 HG22 THR A 100 10.050 17.137 12.608 1.00 0.00 H new ATOM 0 HG23 THR A 100 8.977 16.239 11.508 1.00 0.00 H new ATOM 1514 N ALA A 101 8.173 19.194 13.187 1.00 0.00 N ATOM 1515 CA ALA A 101 8.139 19.726 14.556 1.00 0.00 C ATOM 1516 C ALA A 101 7.746 18.654 15.597 1.00 0.00 C ATOM 1517 O ALA A 101 7.179 17.612 15.252 1.00 0.00 O ATOM 1518 CB ALA A 101 7.162 20.914 14.582 1.00 0.00 C ATOM 0 H ALA A 101 7.485 18.458 13.031 1.00 0.00 H new ATOM 0 HA ALA A 101 9.140 20.054 14.835 1.00 0.00 H new ATOM 0 HB1 ALA A 101 7.119 21.328 15.590 1.00 0.00 H new ATOM 0 HB2 ALA A 101 7.505 21.682 13.889 1.00 0.00 H new ATOM 0 HB3 ALA A 101 6.169 20.575 14.286 1.00 0.00 H new ATOM 1524 N GLN A 102 8.027 18.932 16.875 1.00 0.00 N ATOM 1525 CA GLN A 102 7.700 18.078 18.027 1.00 0.00 C ATOM 1526 C GLN A 102 7.258 18.931 19.232 1.00 0.00 C ATOM 1527 O GLN A 102 7.907 19.927 19.567 1.00 0.00 O ATOM 1528 CB GLN A 102 8.923 17.192 18.342 1.00 0.00 C ATOM 1529 CG GLN A 102 8.827 16.358 19.632 1.00 0.00 C ATOM 1530 CD GLN A 102 7.649 15.381 19.695 1.00 0.00 C ATOM 1531 OE1 GLN A 102 7.014 15.029 18.711 1.00 0.00 O ATOM 1532 NE2 GLN A 102 7.302 14.917 20.873 1.00 0.00 N ATOM 0 H GLN A 102 8.507 19.790 17.148 1.00 0.00 H new ATOM 0 HA GLN A 102 6.856 17.429 17.792 1.00 0.00 H new ATOM 0 HB2 GLN A 102 9.083 16.514 17.504 1.00 0.00 H new ATOM 0 HB3 GLN A 102 9.804 17.830 18.408 1.00 0.00 H new ATOM 0 HG2 GLN A 102 9.752 15.794 19.750 1.00 0.00 H new ATOM 0 HG3 GLN A 102 8.759 17.039 20.481 1.00 0.00 H new ATOM 0 HE21 GLN A 102 7.820 15.199 21.705 1.00 0.00 H new ATOM 0 HE22 GLN A 102 6.515 14.274 20.956 1.00 0.00 H new ATOM 1541 N SER A 103 6.161 18.537 19.889 1.00 0.00 N ATOM 1542 CA SER A 103 5.510 19.330 20.951 1.00 0.00 C ATOM 1543 C SER A 103 6.161 19.199 22.338 1.00 0.00 C ATOM 1544 O SER A 103 6.046 20.118 23.156 1.00 0.00 O ATOM 1545 CB SER A 103 4.029 18.944 21.059 1.00 0.00 C ATOM 1546 OG SER A 103 3.383 19.070 19.797 1.00 0.00 O ATOM 0 H SER A 103 5.692 17.651 19.700 1.00 0.00 H new ATOM 0 HA SER A 103 5.630 20.371 20.650 1.00 0.00 H new ATOM 0 HB2 SER A 103 3.941 17.918 21.418 1.00 0.00 H new ATOM 0 HB3 SER A 103 3.534 19.582 21.792 1.00 0.00 H new ATOM 0 HG SER A 103 2.440 18.818 19.886 1.00 0.00 H new ATOM 1552 N ALA A 104 6.834 18.072 22.611 1.00 0.00 N ATOM 1553 CA ALA A 104 7.502 17.757 23.885 1.00 0.00 C ATOM 1554 C ALA A 104 8.804 16.951 23.681 1.00 0.00 C ATOM 1555 O ALA A 104 8.752 15.861 23.062 1.00 0.00 O ATOM 1556 CB ALA A 104 6.504 17.025 24.796 1.00 0.00 C ATOM 1557 OXT ALA A 104 9.872 17.425 24.133 1.00 0.00 O ATOM 0 H ALA A 104 6.933 17.324 21.924 1.00 0.00 H new ATOM 0 HA ALA A 104 7.810 18.686 24.364 1.00 0.00 H new ATOM 0 HB1 ALA A 104 6.985 16.785 25.744 1.00 0.00 H new ATOM 0 HB2 ALA A 104 5.641 17.665 24.979 1.00 0.00 H new ATOM 0 HB3 ALA A 104 6.177 16.105 24.312 1.00 0.00 H new TER 1563 ALA A 104