USER MOD reduce.3.24.130724 H: found=0, std=0, add=1090, rem=0, adj=28 USER MOD reduce.3.24.130724 removed 810 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 111 MET CE :methyl -166:sc= -6.97! (180deg=-8.34!) USER MOD Set 1.2: A 114 HIS : no HE2:sc= -2.54 K(o=-9.5,f=-17!) USER MOD Single : A 3 SER OG : rot 180:sc= 0 USER MOD Single : A 9 GLN : amide:sc= -0.293 X(o=-0.29,f=-0.68) USER MOD Single : A 12 THR OG1 : rot 180:sc= 0 USER MOD Single : A 14 ASN : amide:sc= -0.814 K(o=-0.81,f=-4!) USER MOD Single : A 20 THR OG1 : rot 11:sc= 0.156! USER MOD Single : A 23 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 26 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 29 THR OG1 : rot 62:sc= 0.164 USER MOD Single : A 33 GLN :FLIP amide:sc= -0.841 F(o=-3.1,f=-0.84) USER MOD Single : A 37 ASN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 41 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 42 THR OG1 : rot 180:sc= 0 USER MOD Single : A 51 SER OG : rot -57:sc= 0.725 USER MOD Single : A 52 HIS : no HD1:sc= -8.02! C(o=-8!,f=-9.8!) USER MOD Single : A 55 ASN :FLIP amide:sc= -9.6! C(o=-10!,f=-9.6!) USER MOD Single : A 57 THR OG1 : rot 105:sc= 1.18 USER MOD Single : A 58 TYR OH : rot 180:sc= 0 USER MOD Single : A 61 LYS NZ :NH3+ -146:sc= 0 (180deg=-0.213) USER MOD Single : A 65 THR OG1 : rot 25:sc= 0.378 USER MOD Single : A 66 ASN : amide:sc= -0.0189 K(o=-0.019,f=-0.62) USER MOD Single : A 69 SER OG : rot -169:sc= -3.98 USER MOD Single : A 74 CYS SG : rot 180:sc= 0 USER MOD Single : A 89 CYS SG : rot -171:sc= -1.09 USER MOD Single : A 91 GLN : amide:sc= -0.341 K(o=-0.34,f=-1.9!) USER MOD Single : A 98 SER OG : rot -38:sc= 1.12 USER MOD Single : A 100 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 102 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 105 MET CE :methyl -166:sc= -3.37! (180deg=-4.51!) USER MOD Single : A 107 HIS :FLIP no HD1:sc= -7.16! C(o=-8.5!,f=-7.2!) USER MOD Single : A 110 HIS : no HD1:sc= -0.123 K(o=-0.12,f=-0.64) USER MOD Single : A 116 SER OG : rot -76:sc= 0.58 USER MOD Single : A 118 HIS : no HD1:sc= 0 X(o=0,f=0) USER MOD Single : A 122 TYR OH : rot 153:sc= -1.38! USER MOD Single : A 124 HIS :FLIP no HE2:sc= -0.507 F(o=-1.2,f=-0.51) USER MOD Single : A 133 MET CE :methyl -145:sc= -0.805 (180deg=-3.13!) USER MOD Single : A 135 SER OG : rot 180:sc= 0 USER MOD Single : A 138 THR OG1 : rot 83:sc= 1.22 USER MOD Single : A 139 GLN :FLIP amide:sc= -4.8! C(o=-6.5!,f=-4.8!) USER MOD Single : A 141 MET CE :methyl 142:sc= -5.09! (180deg=-8.13!) USER MOD Single : A 142 GLN : amide:sc= -0.514 X(o=-0.51,f=-0.11) USER MOD ----------------------------------------------------------------- ATOM 1 N SER A 3 6.169 3.925 -15.539 1.00 1.94 N ATOM 2 CA SER A 3 6.429 4.862 -14.416 1.00 1.63 C ATOM 3 C SER A 3 5.831 4.341 -13.113 1.00 1.31 C ATOM 4 O SER A 3 5.296 3.233 -13.063 1.00 1.66 O ATOM 5 CB SER A 3 5.825 6.223 -14.767 1.00 1.81 C ATOM 6 OG SER A 3 6.715 6.987 -15.563 1.00 2.13 O ATOM 0 HA SER A 3 7.505 4.954 -14.269 1.00 1.63 H new ATOM 0 HB2 SER A 3 4.886 6.080 -15.301 1.00 1.81 H new ATOM 0 HB3 SER A 3 5.592 6.768 -13.852 1.00 1.81 H new ATOM 0 HG SER A 3 6.305 7.851 -15.775 1.00 2.13 H new ATOM 12 N VAL A 4 5.928 5.145 -12.061 1.00 1.30 N ATOM 13 CA VAL A 4 5.399 4.763 -10.758 1.00 1.06 C ATOM 14 C VAL A 4 3.900 5.046 -10.672 1.00 0.93 C ATOM 15 O VAL A 4 3.482 6.164 -10.374 1.00 1.44 O ATOM 16 CB VAL A 4 6.127 5.500 -9.613 1.00 1.68 C ATOM 17 CG1 VAL A 4 5.968 7.006 -9.752 1.00 1.82 C ATOM 18 CG2 VAL A 4 5.622 5.022 -8.258 1.00 2.29 C ATOM 0 H VAL A 4 6.368 6.065 -12.085 1.00 1.30 H new ATOM 0 HA VAL A 4 5.569 3.692 -10.646 1.00 1.06 H new ATOM 0 HB VAL A 4 7.190 5.267 -9.679 1.00 1.68 H new ATOM 0 HG11 VAL A 4 6.489 7.504 -8.934 1.00 1.82 H new ATOM 0 HG12 VAL A 4 6.391 7.330 -10.703 1.00 1.82 H new ATOM 0 HG13 VAL A 4 4.910 7.265 -9.719 1.00 1.82 H new ATOM 0 HG21 VAL A 4 6.148 5.554 -7.465 1.00 2.29 H new ATOM 0 HG22 VAL A 4 4.553 5.218 -8.179 1.00 2.29 H new ATOM 0 HG23 VAL A 4 5.803 3.952 -8.159 1.00 2.29 H new ATOM 22 N LEU A 5 3.098 4.020 -10.936 1.00 0.94 N ATOM 23 CA LEU A 5 1.647 4.152 -10.891 1.00 1.34 C ATOM 24 C LEU A 5 1.089 3.569 -9.597 1.00 1.09 C ATOM 25 O LEU A 5 1.673 2.656 -9.014 1.00 1.34 O ATOM 26 CB LEU A 5 1.013 3.452 -12.095 1.00 2.05 C ATOM 27 CG LEU A 5 -0.236 4.133 -12.659 1.00 2.97 C ATOM 28 CD1 LEU A 5 -0.286 3.989 -14.171 1.00 3.92 C ATOM 29 CD2 LEU A 5 -1.490 3.551 -12.025 1.00 3.33 C ATOM 0 H LEU A 5 3.429 3.087 -11.183 1.00 0.94 H new ATOM 0 HA LEU A 5 1.401 5.213 -10.926 1.00 1.34 H new ATOM 0 HB2 LEU A 5 1.758 3.380 -12.888 1.00 2.05 H new ATOM 0 HB3 LEU A 5 0.754 2.433 -11.808 1.00 2.05 H new ATOM 0 HG LEU A 5 -0.189 5.195 -12.418 1.00 2.97 H new ATOM 0 HD11 LEU A 5 -1.181 4.479 -14.554 1.00 3.92 H new ATOM 0 HD12 LEU A 5 0.598 4.452 -14.610 1.00 3.92 H new ATOM 0 HD13 LEU A 5 -0.310 2.932 -14.435 1.00 3.92 H new ATOM 0 HD21 LEU A 5 -2.369 4.046 -12.437 1.00 3.33 H new ATOM 0 HD22 LEU A 5 -1.543 2.483 -12.236 1.00 3.33 H new ATOM 0 HD23 LEU A 5 -1.458 3.706 -10.947 1.00 3.33 H new ATOM 35 N VAL A 6 -0.046 4.100 -9.155 1.00 0.88 N ATOM 36 CA VAL A 6 -0.682 3.631 -7.931 1.00 0.75 C ATOM 37 C VAL A 6 -2.198 3.591 -8.083 1.00 0.75 C ATOM 38 O VAL A 6 -2.752 4.181 -9.012 1.00 1.03 O ATOM 39 CB VAL A 6 -0.321 4.524 -6.730 1.00 0.94 C ATOM 40 CG1 VAL A 6 1.148 4.370 -6.372 1.00 1.26 C ATOM 41 CG2 VAL A 6 -0.654 5.978 -7.027 1.00 1.02 C ATOM 0 H VAL A 6 -0.544 4.855 -9.627 1.00 0.88 H new ATOM 0 HA VAL A 6 -0.310 2.623 -7.747 1.00 0.75 H new ATOM 0 HB VAL A 6 -0.915 4.206 -5.873 1.00 0.94 H new ATOM 0 HG11 VAL A 6 1.384 5.009 -5.521 1.00 1.26 H new ATOM 0 HG12 VAL A 6 1.353 3.331 -6.113 1.00 1.26 H new ATOM 0 HG13 VAL A 6 1.763 4.659 -7.224 1.00 1.26 H new ATOM 0 HG21 VAL A 6 -0.392 6.594 -6.167 1.00 1.02 H new ATOM 0 HG22 VAL A 6 -0.088 6.310 -7.897 1.00 1.02 H new ATOM 0 HG23 VAL A 6 -1.721 6.073 -7.230 1.00 1.02 H new ATOM 45 N ASP A 7 -2.868 2.894 -7.170 1.00 0.72 N ATOM 46 CA ASP A 7 -4.322 2.785 -7.215 1.00 0.83 C ATOM 47 C ASP A 7 -4.913 2.651 -5.814 1.00 0.75 C ATOM 48 O ASP A 7 -5.137 1.544 -5.328 1.00 0.99 O ATOM 49 CB ASP A 7 -4.735 1.586 -8.073 1.00 1.02 C ATOM 50 CG ASP A 7 -5.130 1.991 -9.479 1.00 1.78 C ATOM 51 OD1 ASP A 7 -5.921 2.946 -9.623 1.00 2.33 O ATOM 52 OD2 ASP A 7 -4.649 1.350 -10.438 1.00 2.52 O ATOM 0 H ASP A 7 -2.430 2.398 -6.394 1.00 0.72 H new ATOM 0 HA ASP A 7 -4.712 3.700 -7.661 1.00 0.83 H new ATOM 0 HB2 ASP A 7 -3.910 0.875 -8.121 1.00 1.02 H new ATOM 0 HB3 ASP A 7 -5.571 1.073 -7.597 1.00 1.02 H new ATOM 57 N LEU A 8 -5.170 3.788 -5.175 1.00 0.63 N ATOM 58 CA LEU A 8 -5.743 3.800 -3.832 1.00 0.74 C ATOM 59 C LEU A 8 -7.264 3.878 -3.901 1.00 0.59 C ATOM 60 O LEU A 8 -7.819 4.789 -4.517 1.00 0.79 O ATOM 61 CB LEU A 8 -5.191 4.982 -3.029 1.00 1.20 C ATOM 62 CG LEU A 8 -5.778 5.158 -1.623 1.00 0.83 C ATOM 63 CD1 LEU A 8 -7.136 5.842 -1.689 1.00 1.78 C ATOM 64 CD2 LEU A 8 -5.886 3.816 -0.910 1.00 1.52 C ATOM 0 H LEU A 8 -4.991 4.713 -5.565 1.00 0.63 H new ATOM 0 HA LEU A 8 -5.464 2.873 -3.330 1.00 0.74 H new ATOM 0 HB2 LEU A 8 -4.111 4.866 -2.941 1.00 1.20 H new ATOM 0 HB3 LEU A 8 -5.368 5.897 -3.595 1.00 1.20 H new ATOM 0 HG LEU A 8 -5.103 5.794 -1.050 1.00 0.83 H new ATOM 0 HD11 LEU A 8 -7.535 5.957 -0.681 1.00 1.78 H new ATOM 0 HD12 LEU A 8 -7.027 6.823 -2.150 1.00 1.78 H new ATOM 0 HD13 LEU A 8 -7.820 5.236 -2.283 1.00 1.78 H new ATOM 0 HD21 LEU A 8 -6.305 3.965 0.085 1.00 1.52 H new ATOM 0 HD22 LEU A 8 -6.535 3.152 -1.481 1.00 1.52 H new ATOM 0 HD23 LEU A 8 -4.896 3.369 -0.824 1.00 1.52 H new ATOM 70 N GLN A 9 -7.938 2.920 -3.272 1.00 0.65 N ATOM 71 CA GLN A 9 -9.399 2.895 -3.276 1.00 0.80 C ATOM 72 C GLN A 9 -9.958 2.502 -1.912 1.00 0.79 C ATOM 73 O GLN A 9 -9.296 1.827 -1.123 1.00 0.81 O ATOM 74 CB GLN A 9 -9.912 1.931 -4.348 1.00 1.03 C ATOM 75 CG GLN A 9 -9.111 0.644 -4.448 1.00 1.27 C ATOM 76 CD GLN A 9 -9.434 -0.148 -5.700 1.00 1.82 C ATOM 77 OE1 GLN A 9 -10.545 -0.076 -6.224 1.00 2.23 O ATOM 78 NE2 GLN A 9 -8.460 -0.910 -6.185 1.00 2.59 N ATOM 0 H GLN A 9 -7.501 2.156 -2.757 1.00 0.65 H new ATOM 0 HA GLN A 9 -9.744 3.903 -3.503 1.00 0.80 H new ATOM 0 HB2 GLN A 9 -10.952 1.685 -4.135 1.00 1.03 H new ATOM 0 HB3 GLN A 9 -9.895 2.435 -5.315 1.00 1.03 H new ATOM 0 HG2 GLN A 9 -8.047 0.881 -4.437 1.00 1.27 H new ATOM 0 HG3 GLN A 9 -9.310 0.028 -3.571 1.00 1.27 H new ATOM 0 HE21 GLN A 9 -7.554 -0.939 -5.717 1.00 2.59 H new ATOM 0 HE22 GLN A 9 -8.618 -1.466 -7.025 1.00 2.59 H new ATOM 85 N ILE A 10 -11.189 2.932 -1.645 1.00 0.83 N ATOM 86 CA ILE A 10 -11.850 2.627 -0.382 1.00 0.86 C ATOM 87 C ILE A 10 -12.997 1.639 -0.592 1.00 1.02 C ATOM 88 O ILE A 10 -13.552 1.544 -1.688 1.00 1.23 O ATOM 89 CB ILE A 10 -12.387 3.913 0.297 1.00 0.96 C ATOM 90 CG1 ILE A 10 -12.337 3.763 1.821 1.00 1.21 C ATOM 91 CG2 ILE A 10 -13.803 4.234 -0.176 1.00 1.28 C ATOM 92 CD1 ILE A 10 -13.035 4.876 2.578 1.00 1.19 C ATOM 0 H ILE A 10 -11.748 3.493 -2.288 1.00 0.83 H new ATOM 0 HA ILE A 10 -11.106 2.173 0.272 1.00 0.86 H new ATOM 0 HB ILE A 10 -11.749 4.748 0.009 1.00 0.96 H new ATOM 0 HG12 ILE A 10 -12.791 2.811 2.096 1.00 1.21 H new ATOM 0 HG13 ILE A 10 -11.295 3.722 2.137 1.00 1.21 H new ATOM 0 HG21 ILE A 10 -14.154 5.141 0.316 1.00 1.28 H new ATOM 0 HG22 ILE A 10 -13.801 4.385 -1.255 1.00 1.28 H new ATOM 0 HG23 ILE A 10 -14.466 3.406 0.073 1.00 1.28 H new ATOM 0 HD11 ILE A 10 -12.953 4.694 3.650 1.00 1.19 H new ATOM 0 HD12 ILE A 10 -12.567 5.830 2.335 1.00 1.19 H new ATOM 0 HD13 ILE A 10 -14.087 4.905 2.294 1.00 1.19 H new ATOM 96 N ALA A 11 -13.352 0.914 0.461 1.00 0.97 N ATOM 97 CA ALA A 11 -14.437 -0.058 0.387 1.00 1.15 C ATOM 98 C ALA A 11 -15.145 -0.193 1.732 1.00 1.15 C ATOM 99 O ALA A 11 -15.765 -1.217 2.017 1.00 1.32 O ATOM 100 CB ALA A 11 -13.906 -1.407 -0.075 1.00 1.30 C ATOM 0 H ALA A 11 -12.906 0.980 1.376 1.00 0.97 H new ATOM 0 HA ALA A 11 -15.165 0.299 -0.341 1.00 1.15 H new ATOM 0 HB1 ALA A 11 -14.726 -2.123 -0.126 1.00 1.30 H new ATOM 0 HB2 ALA A 11 -13.455 -1.302 -1.062 1.00 1.30 H new ATOM 0 HB3 ALA A 11 -13.156 -1.764 0.631 1.00 1.30 H new ATOM 106 N THR A 12 -15.050 0.847 2.554 1.00 1.10 N ATOM 107 CA THR A 12 -15.683 0.843 3.867 1.00 1.29 C ATOM 108 C THR A 12 -17.097 1.407 3.791 1.00 1.72 C ATOM 109 O THR A 12 -17.619 1.660 2.704 1.00 2.07 O ATOM 110 CB THR A 12 -14.849 1.654 4.859 1.00 1.15 C ATOM 111 OG1 THR A 12 -14.830 3.024 4.497 1.00 1.78 O ATOM 112 CG2 THR A 12 -13.413 1.186 4.957 1.00 1.29 C ATOM 0 H THR A 12 -14.541 1.703 2.334 1.00 1.10 H new ATOM 0 HA THR A 12 -15.743 -0.189 4.212 1.00 1.29 H new ATOM 0 HB THR A 12 -15.329 1.508 5.827 1.00 1.15 H new ATOM 0 HG1 THR A 12 -14.293 3.526 5.145 1.00 1.78 H new ATOM 0 HG21 THR A 12 -12.877 1.804 5.678 1.00 1.29 H new ATOM 0 HG22 THR A 12 -13.391 0.146 5.283 1.00 1.29 H new ATOM 0 HG23 THR A 12 -12.935 1.271 3.981 1.00 1.29 H new ATOM 117 N GLU A 13 -17.713 1.601 4.951 1.00 2.10 N ATOM 118 CA GLU A 13 -19.066 2.136 5.020 1.00 2.62 C ATOM 119 C GLU A 13 -19.044 3.640 5.268 1.00 2.49 C ATOM 120 O GLU A 13 -19.722 4.404 4.582 1.00 2.85 O ATOM 121 CB GLU A 13 -19.857 1.432 6.125 1.00 3.24 C ATOM 122 CG GLU A 13 -21.225 0.943 5.677 1.00 3.89 C ATOM 123 CD GLU A 13 -22.135 0.611 6.842 1.00 4.72 C ATOM 124 OE1 GLU A 13 -21.615 0.270 7.924 1.00 5.27 O ATOM 125 OE2 GLU A 13 -23.370 0.693 6.672 1.00 5.17 O ATOM 0 H GLU A 13 -17.295 1.395 5.858 1.00 2.10 H new ATOM 0 HA GLU A 13 -19.554 1.954 4.062 1.00 2.62 H new ATOM 0 HB2 GLU A 13 -19.279 0.583 6.490 1.00 3.24 H new ATOM 0 HB3 GLU A 13 -19.982 2.117 6.964 1.00 3.24 H new ATOM 0 HG2 GLU A 13 -21.696 1.708 5.059 1.00 3.89 H new ATOM 0 HG3 GLU A 13 -21.104 0.058 5.052 1.00 3.89 H new ATOM 132 N ASN A 14 -18.258 4.059 6.255 1.00 2.26 N ATOM 133 CA ASN A 14 -18.145 5.472 6.595 1.00 2.51 C ATOM 134 C ASN A 14 -16.841 5.751 7.334 1.00 1.99 C ATOM 135 O ASN A 14 -16.455 5.008 8.236 1.00 1.78 O ATOM 136 CB ASN A 14 -19.334 5.909 7.453 1.00 3.10 C ATOM 137 CG ASN A 14 -19.521 5.028 8.672 1.00 3.79 C ATOM 138 OD1 ASN A 14 -18.780 4.066 8.877 1.00 4.30 O ATOM 139 ND2 ASN A 14 -20.516 5.352 9.489 1.00 4.18 N ATOM 0 H ASN A 14 -17.690 3.440 6.833 1.00 2.26 H new ATOM 0 HA ASN A 14 -18.146 6.044 5.667 1.00 2.51 H new ATOM 0 HB2 ASN A 14 -19.188 6.941 7.773 1.00 3.10 H new ATOM 0 HB3 ASN A 14 -20.242 5.887 6.850 1.00 3.10 H new ATOM 0 HD21 ASN A 14 -20.691 4.795 10.325 1.00 4.18 H new ATOM 0 HD22 ASN A 14 -21.105 6.158 9.280 1.00 4.18 H new ATOM 144 N ILE A 15 -16.164 6.826 6.943 1.00 2.45 N ATOM 145 CA ILE A 15 -14.901 7.203 7.568 1.00 2.24 C ATOM 146 C ILE A 15 -14.829 8.708 7.798 1.00 1.60 C ATOM 147 O ILE A 15 -15.672 9.462 7.311 1.00 1.92 O ATOM 148 CB ILE A 15 -13.681 6.766 6.722 1.00 3.00 C ATOM 149 CG1 ILE A 15 -14.067 6.584 5.252 1.00 2.89 C ATOM 150 CG2 ILE A 15 -13.085 5.483 7.280 1.00 3.77 C ATOM 151 CD1 ILE A 15 -14.385 7.883 4.544 1.00 3.61 C ATOM 0 H ILE A 15 -16.469 7.451 6.197 1.00 2.45 H new ATOM 0 HA ILE A 15 -14.866 6.684 8.526 1.00 2.24 H new ATOM 0 HB ILE A 15 -12.930 7.554 6.776 1.00 3.00 H new ATOM 0 HG12 ILE A 15 -13.250 6.086 4.730 1.00 2.89 H new ATOM 0 HG13 ILE A 15 -14.933 5.925 5.191 1.00 2.89 H new ATOM 0 HG21 ILE A 15 -12.228 5.187 6.675 1.00 3.77 H new ATOM 0 HG22 ILE A 15 -12.764 5.648 8.308 1.00 3.77 H new ATOM 0 HG23 ILE A 15 -13.836 4.693 7.257 1.00 3.77 H new ATOM 0 HD11 ILE A 15 -14.650 7.677 3.507 1.00 3.61 H new ATOM 0 HD12 ILE A 15 -15.222 8.373 5.042 1.00 3.61 H new ATOM 0 HD13 ILE A 15 -13.513 8.536 4.573 1.00 3.61 H new ATOM 155 N GLU A 16 -13.815 9.137 8.539 1.00 1.45 N ATOM 156 CA GLU A 16 -13.625 10.553 8.834 1.00 1.67 C ATOM 157 C GLU A 16 -12.946 11.259 7.665 1.00 1.94 C ATOM 158 O GLU A 16 -11.867 11.835 7.814 1.00 2.67 O ATOM 159 CB GLU A 16 -12.793 10.719 10.107 1.00 2.11 C ATOM 160 CG GLU A 16 -13.232 11.890 10.973 1.00 3.11 C ATOM 161 CD GLU A 16 -13.381 11.513 12.433 1.00 3.84 C ATOM 162 OE1 GLU A 16 -12.350 11.241 13.085 1.00 4.53 O ATOM 163 OE2 GLU A 16 -14.528 11.489 12.926 1.00 4.13 O ATOM 0 H GLU A 16 -13.110 8.524 8.948 1.00 1.45 H new ATOM 0 HA GLU A 16 -14.603 11.008 8.990 1.00 1.67 H new ATOM 0 HB2 GLU A 16 -12.854 9.802 10.693 1.00 2.11 H new ATOM 0 HB3 GLU A 16 -11.747 10.853 9.832 1.00 2.11 H new ATOM 0 HG2 GLU A 16 -12.504 12.697 10.883 1.00 3.11 H new ATOM 0 HG3 GLU A 16 -14.182 12.275 10.602 1.00 3.11 H new ATOM 170 N GLY A 17 -13.582 11.207 6.500 1.00 1.95 N ATOM 171 CA GLY A 17 -13.024 11.842 5.321 1.00 2.86 C ATOM 172 C GLY A 17 -12.395 10.840 4.373 1.00 2.74 C ATOM 173 O GLY A 17 -11.279 10.373 4.602 1.00 3.16 O ATOM 0 H GLY A 17 -14.474 10.736 6.351 1.00 1.95 H new ATOM 0 HA2 GLY A 17 -13.809 12.389 4.799 1.00 2.86 H new ATOM 0 HA3 GLY A 17 -12.274 12.572 5.625 1.00 2.86 H new ATOM 177 N LEU A 18 -13.114 10.505 3.305 1.00 2.64 N ATOM 178 CA LEU A 18 -12.622 9.548 2.317 1.00 2.63 C ATOM 179 C LEU A 18 -11.227 9.936 1.826 1.00 2.01 C ATOM 180 O LEU A 18 -11.052 10.980 1.199 1.00 2.22 O ATOM 181 CB LEU A 18 -13.592 9.465 1.132 1.00 3.46 C ATOM 182 CG LEU A 18 -13.121 8.611 -0.053 1.00 3.97 C ATOM 183 CD1 LEU A 18 -12.162 9.398 -0.934 1.00 4.46 C ATOM 184 CD2 LEU A 18 -12.469 7.325 0.434 1.00 4.91 C ATOM 0 H LEU A 18 -14.040 10.882 3.101 1.00 2.64 H new ATOM 0 HA LEU A 18 -12.557 8.570 2.795 1.00 2.63 H new ATOM 0 HB2 LEU A 18 -14.541 9.066 1.490 1.00 3.46 H new ATOM 0 HB3 LEU A 18 -13.786 10.476 0.773 1.00 3.46 H new ATOM 0 HG LEU A 18 -13.994 8.345 -0.649 1.00 3.97 H new ATOM 0 HD11 LEU A 18 -11.840 8.775 -1.768 1.00 4.46 H new ATOM 0 HD12 LEU A 18 -12.665 10.286 -1.317 1.00 4.46 H new ATOM 0 HD13 LEU A 18 -11.293 9.698 -0.348 1.00 4.46 H new ATOM 0 HD21 LEU A 18 -12.143 6.735 -0.423 1.00 4.91 H new ATOM 0 HD22 LEU A 18 -11.608 7.567 1.057 1.00 4.91 H new ATOM 0 HD23 LEU A 18 -13.189 6.750 1.017 1.00 4.91 H new ATOM 190 N PRO A 19 -10.207 9.099 2.102 1.00 1.58 N ATOM 191 CA PRO A 19 -8.830 9.372 1.678 1.00 1.46 C ATOM 192 C PRO A 19 -8.708 9.488 0.163 1.00 1.48 C ATOM 193 O PRO A 19 -8.421 8.508 -0.524 1.00 2.32 O ATOM 194 CB PRO A 19 -8.040 8.160 2.189 1.00 1.63 C ATOM 195 CG PRO A 19 -9.059 7.104 2.440 1.00 1.84 C ATOM 196 CD PRO A 19 -10.311 7.829 2.841 1.00 1.84 C ATOM 0 HA PRO A 19 -8.467 10.322 2.070 1.00 1.46 H new ATOM 0 HB2 PRO A 19 -7.306 7.831 1.454 1.00 1.63 H new ATOM 0 HB3 PRO A 19 -7.493 8.403 3.100 1.00 1.63 H new ATOM 0 HG2 PRO A 19 -9.225 6.501 1.547 1.00 1.84 H new ATOM 0 HG3 PRO A 19 -8.732 6.424 3.227 1.00 1.84 H new ATOM 0 HD2 PRO A 19 -11.206 7.273 2.564 1.00 1.84 H new ATOM 0 HD3 PRO A 19 -10.357 7.991 3.918 1.00 1.84 H new ATOM 204 N THR A 20 -8.926 10.695 -0.353 1.00 1.19 N ATOM 205 CA THR A 20 -8.840 10.941 -1.788 1.00 1.25 C ATOM 206 C THR A 20 -7.472 10.540 -2.329 1.00 1.21 C ATOM 207 O THR A 20 -6.440 10.903 -1.768 1.00 1.19 O ATOM 208 CB THR A 20 -9.109 12.416 -2.091 1.00 1.39 C ATOM 209 OG1 THR A 20 -7.991 13.212 -1.738 1.00 1.78 O ATOM 210 CG2 THR A 20 -10.313 12.967 -1.360 1.00 2.03 C ATOM 0 H THR A 20 -9.163 11.517 0.202 1.00 1.19 H new ATOM 0 HA THR A 20 -9.598 10.332 -2.281 1.00 1.25 H new ATOM 0 HB THR A 20 -9.303 12.460 -3.163 1.00 1.39 H new ATOM 0 HG1 THR A 20 -7.228 12.632 -1.534 1.00 1.78 H new ATOM 0 HG21 THR A 20 -10.447 14.017 -1.620 1.00 2.03 H new ATOM 0 HG22 THR A 20 -11.202 12.406 -1.648 1.00 2.03 H new ATOM 0 HG23 THR A 20 -10.159 12.876 -0.285 1.00 2.03 H new ATOM 215 N GLU A 21 -7.474 9.787 -3.425 1.00 1.30 N ATOM 216 CA GLU A 21 -6.234 9.330 -4.044 1.00 1.28 C ATOM 217 C GLU A 21 -5.319 10.504 -4.378 1.00 1.19 C ATOM 218 O GLU A 21 -4.118 10.450 -4.131 1.00 1.10 O ATOM 219 CB GLU A 21 -6.536 8.527 -5.309 1.00 1.44 C ATOM 220 CG GLU A 21 -7.596 9.160 -6.197 1.00 1.56 C ATOM 221 CD GLU A 21 -7.054 9.569 -7.554 1.00 1.94 C ATOM 222 OE1 GLU A 21 -6.595 8.681 -8.302 1.00 2.54 O ATOM 223 OE2 GLU A 21 -7.086 10.778 -7.865 1.00 2.04 O ATOM 0 H GLU A 21 -8.321 9.480 -3.903 1.00 1.30 H new ATOM 0 HA GLU A 21 -5.719 8.689 -3.328 1.00 1.28 H new ATOM 0 HB2 GLU A 21 -5.617 8.410 -5.883 1.00 1.44 H new ATOM 0 HB3 GLU A 21 -6.863 7.527 -5.024 1.00 1.44 H new ATOM 0 HG2 GLU A 21 -8.416 8.456 -6.335 1.00 1.56 H new ATOM 0 HG3 GLU A 21 -8.008 10.036 -5.696 1.00 1.56 H new ATOM 230 N GLU A 22 -5.891 11.564 -4.940 1.00 1.24 N ATOM 231 CA GLU A 22 -5.111 12.744 -5.305 1.00 1.18 C ATOM 232 C GLU A 22 -4.202 13.179 -4.158 1.00 1.05 C ATOM 233 O GLU A 22 -2.989 13.315 -4.330 1.00 0.99 O ATOM 234 CB GLU A 22 -6.044 13.894 -5.692 1.00 1.26 C ATOM 235 CG GLU A 22 -5.507 14.760 -6.820 1.00 1.93 C ATOM 236 CD GLU A 22 -6.301 16.039 -7.001 1.00 2.47 C ATOM 237 OE1 GLU A 22 -7.493 15.950 -7.361 1.00 2.76 O ATOM 238 OE2 GLU A 22 -5.731 17.127 -6.783 1.00 3.23 O ATOM 0 H GLU A 22 -6.886 11.632 -5.152 1.00 1.24 H new ATOM 0 HA GLU A 22 -4.486 12.483 -6.159 1.00 1.18 H new ATOM 0 HB2 GLU A 22 -7.009 13.484 -5.988 1.00 1.26 H new ATOM 0 HB3 GLU A 22 -6.219 14.519 -4.817 1.00 1.26 H new ATOM 0 HG2 GLU A 22 -4.465 15.009 -6.618 1.00 1.93 H new ATOM 0 HG3 GLU A 22 -5.524 14.191 -7.750 1.00 1.93 H new ATOM 245 N GLN A 23 -4.796 13.390 -2.988 1.00 1.02 N ATOM 246 CA GLN A 23 -4.045 13.808 -1.810 1.00 0.93 C ATOM 247 C GLN A 23 -2.990 12.773 -1.431 1.00 0.82 C ATOM 248 O GLN A 23 -1.792 13.051 -1.473 1.00 0.77 O ATOM 249 CB GLN A 23 -4.996 14.039 -0.633 1.00 0.99 C ATOM 250 CG GLN A 23 -4.297 14.503 0.635 1.00 0.97 C ATOM 251 CD GLN A 23 -4.300 16.011 0.783 1.00 1.14 C ATOM 252 OE1 GLN A 23 -5.110 16.572 1.522 1.00 2.08 O ATOM 253 NE2 GLN A 23 -3.393 16.677 0.079 1.00 1.09 N ATOM 0 H GLN A 23 -5.798 13.278 -2.830 1.00 1.02 H new ATOM 0 HA GLN A 23 -3.535 14.741 -2.050 1.00 0.93 H new ATOM 0 HB2 GLN A 23 -5.741 14.782 -0.919 1.00 0.99 H new ATOM 0 HB3 GLN A 23 -5.533 13.114 -0.424 1.00 0.99 H new ATOM 0 HG2 GLN A 23 -4.787 14.056 1.500 1.00 0.97 H new ATOM 0 HG3 GLN A 23 -3.268 14.144 0.630 1.00 0.97 H new ATOM 0 HE21 GLN A 23 -2.741 16.171 -0.521 1.00 1.09 H new ATOM 0 HE22 GLN A 23 -3.348 17.694 0.138 1.00 1.09 H new ATOM 260 N ILE A 24 -3.444 11.581 -1.057 1.00 0.83 N ATOM 261 CA ILE A 24 -2.542 10.504 -0.664 1.00 0.74 C ATOM 262 C ILE A 24 -1.519 10.212 -1.760 1.00 0.69 C ATOM 263 O ILE A 24 -0.310 10.310 -1.538 1.00 0.67 O ATOM 264 CB ILE A 24 -3.324 9.213 -0.334 1.00 0.82 C ATOM 265 CG1 ILE A 24 -4.188 9.424 0.910 1.00 1.01 C ATOM 266 CG2 ILE A 24 -2.374 8.039 -0.125 1.00 0.85 C ATOM 267 CD1 ILE A 24 -5.614 9.825 0.600 1.00 1.43 C ATOM 0 H ILE A 24 -4.433 11.336 -1.018 1.00 0.83 H new ATOM 0 HA ILE A 24 -2.016 10.838 0.231 1.00 0.74 H new ATOM 0 HB ILE A 24 -3.971 8.980 -1.179 1.00 0.82 H new ATOM 0 HG12 ILE A 24 -4.198 8.504 1.495 1.00 1.01 H new ATOM 0 HG13 ILE A 24 -3.731 10.193 1.533 1.00 1.01 H new ATOM 0 HG21 ILE A 24 -2.949 7.142 0.106 1.00 0.85 H new ATOM 0 HG22 ILE A 24 -1.794 7.874 -1.033 1.00 0.85 H new ATOM 0 HG23 ILE A 24 -1.699 8.260 0.702 1.00 0.85 H new ATOM 0 HD11 ILE A 24 -6.166 9.957 1.531 1.00 1.43 H new ATOM 0 HD12 ILE A 24 -5.616 10.761 0.042 1.00 1.43 H new ATOM 0 HD13 ILE A 24 -6.089 9.046 0.004 1.00 1.43 H new ATOM 271 N VAL A 25 -2.011 9.850 -2.940 1.00 0.77 N ATOM 272 CA VAL A 25 -1.145 9.540 -4.071 1.00 0.77 C ATOM 273 C VAL A 25 -0.126 10.651 -4.308 1.00 0.74 C ATOM 274 O VAL A 25 1.083 10.414 -4.273 1.00 0.73 O ATOM 275 CB VAL A 25 -1.961 9.313 -5.361 1.00 0.91 C ATOM 276 CG1 VAL A 25 -1.044 9.007 -6.535 1.00 0.85 C ATOM 277 CG2 VAL A 25 -2.969 8.190 -5.165 1.00 1.45 C ATOM 0 H VAL A 25 -3.008 9.764 -3.138 1.00 0.77 H new ATOM 0 HA VAL A 25 -0.617 8.620 -3.821 1.00 0.77 H new ATOM 0 HB VAL A 25 -2.505 10.231 -5.584 1.00 0.91 H new ATOM 0 HG11 VAL A 25 -1.642 8.851 -7.433 1.00 0.85 H new ATOM 0 HG12 VAL A 25 -0.364 9.844 -6.693 1.00 0.85 H new ATOM 0 HG13 VAL A 25 -0.468 8.107 -6.322 1.00 0.85 H new ATOM 0 HG21 VAL A 25 -3.535 8.044 -6.085 1.00 1.45 H new ATOM 0 HG22 VAL A 25 -2.443 7.269 -4.913 1.00 1.45 H new ATOM 0 HG23 VAL A 25 -3.652 8.451 -4.356 1.00 1.45 H new ATOM 281 N GLN A 26 -0.616 11.865 -4.547 1.00 0.76 N ATOM 282 CA GLN A 26 0.262 13.005 -4.786 1.00 0.77 C ATOM 283 C GLN A 26 1.183 13.236 -3.592 1.00 0.72 C ATOM 284 O GLN A 26 2.389 13.416 -3.746 1.00 0.71 O ATOM 285 CB GLN A 26 -0.560 14.265 -5.061 1.00 0.85 C ATOM 286 CG GLN A 26 0.243 15.392 -5.690 1.00 0.94 C ATOM 287 CD GLN A 26 -0.042 15.556 -7.170 1.00 1.33 C ATOM 288 OE1 GLN A 26 -1.038 16.166 -7.558 1.00 1.72 O ATOM 289 NE2 GLN A 26 0.833 15.010 -8.006 1.00 2.19 N ATOM 0 H GLN A 26 -1.612 12.083 -4.580 1.00 0.76 H new ATOM 0 HA GLN A 26 0.873 12.784 -5.661 1.00 0.77 H new ATOM 0 HB2 GLN A 26 -1.390 14.010 -5.720 1.00 0.85 H new ATOM 0 HB3 GLN A 26 -0.993 14.617 -4.125 1.00 0.85 H new ATOM 0 HG2 GLN A 26 0.017 16.326 -5.175 1.00 0.94 H new ATOM 0 HG3 GLN A 26 1.306 15.199 -5.548 1.00 0.94 H new ATOM 0 HE21 GLN A 26 1.645 14.513 -7.641 1.00 2.19 H new ATOM 0 HE22 GLN A 26 0.693 15.088 -9.013 1.00 2.19 H new ATOM 296 N TRP A 27 0.610 13.228 -2.399 1.00 0.74 N ATOM 297 CA TRP A 27 1.386 13.437 -1.184 1.00 0.76 C ATOM 298 C TRP A 27 2.557 12.455 -1.106 1.00 0.69 C ATOM 299 O TRP A 27 3.721 12.860 -1.079 1.00 0.67 O ATOM 300 CB TRP A 27 0.476 13.286 0.042 1.00 0.92 C ATOM 301 CG TRP A 27 1.214 13.115 1.336 1.00 0.87 C ATOM 302 CD1 TRP A 27 1.267 11.988 2.102 1.00 1.06 C ATOM 303 CD2 TRP A 27 2.000 14.100 2.015 1.00 0.79 C ATOM 304 NE1 TRP A 27 2.036 12.211 3.217 1.00 1.02 N ATOM 305 CE2 TRP A 27 2.498 13.500 3.186 1.00 0.81 C ATOM 306 CE3 TRP A 27 2.332 15.432 1.746 1.00 0.89 C ATOM 307 CZ2 TRP A 27 3.309 14.185 4.087 1.00 0.79 C ATOM 308 CZ3 TRP A 27 3.138 16.110 2.641 1.00 0.98 C ATOM 309 CH2 TRP A 27 3.618 15.485 3.800 1.00 0.87 C ATOM 0 H TRP A 27 -0.387 13.080 -2.245 1.00 0.74 H new ATOM 0 HA TRP A 27 1.798 14.446 -1.202 1.00 0.76 H new ATOM 0 HB2 TRP A 27 -0.165 14.164 0.115 1.00 0.92 H new ATOM 0 HB3 TRP A 27 -0.177 12.426 -0.108 1.00 0.92 H new ATOM 0 HD1 TRP A 27 0.776 11.056 1.866 1.00 1.06 H new ATOM 0 HE1 TRP A 27 2.231 11.528 3.949 1.00 1.02 H new ATOM 0 HE3 TRP A 27 1.965 15.921 0.856 1.00 0.89 H new ATOM 0 HZ2 TRP A 27 3.681 13.706 4.981 1.00 0.79 H new ATOM 0 HZ3 TRP A 27 3.402 17.138 2.444 1.00 0.98 H new ATOM 0 HH2 TRP A 27 4.245 16.042 4.480 1.00 0.87 H new ATOM 320 N ALA A 28 2.242 11.166 -1.068 1.00 0.70 N ATOM 321 CA ALA A 28 3.268 10.133 -0.981 1.00 0.72 C ATOM 322 C ALA A 28 3.951 9.884 -2.325 1.00 0.68 C ATOM 323 O ALA A 28 5.083 10.319 -2.549 1.00 0.73 O ATOM 324 CB ALA A 28 2.664 8.842 -0.447 1.00 0.78 C ATOM 0 H ALA A 28 1.286 10.811 -1.096 1.00 0.70 H new ATOM 0 HA ALA A 28 4.034 10.488 -0.291 1.00 0.72 H new ATOM 0 HB1 ALA A 28 3.438 8.077 -0.386 1.00 0.78 H new ATOM 0 HB2 ALA A 28 2.248 9.018 0.545 1.00 0.78 H new ATOM 0 HB3 ALA A 28 1.873 8.506 -1.118 1.00 0.78 H new ATOM 330 N THR A 29 3.268 9.167 -3.212 1.00 0.63 N ATOM 331 CA THR A 29 3.830 8.847 -4.520 1.00 0.67 C ATOM 332 C THR A 29 4.253 10.104 -5.273 1.00 0.64 C ATOM 333 O THR A 29 5.200 10.072 -6.060 1.00 0.72 O ATOM 334 CB THR A 29 2.839 8.036 -5.357 1.00 0.69 C ATOM 335 OG1 THR A 29 1.676 7.734 -4.610 1.00 1.02 O ATOM 336 CG2 THR A 29 3.421 6.729 -5.851 1.00 0.74 C ATOM 0 H THR A 29 2.331 8.799 -3.051 1.00 0.63 H new ATOM 0 HA THR A 29 4.721 8.242 -4.350 1.00 0.67 H new ATOM 0 HB THR A 29 2.598 8.663 -6.215 1.00 0.69 H new ATOM 0 HG1 THR A 29 1.227 8.566 -4.353 1.00 1.02 H new ATOM 0 HG21 THR A 29 2.673 6.197 -6.439 1.00 0.74 H new ATOM 0 HG22 THR A 29 4.294 6.931 -6.472 1.00 0.74 H new ATOM 0 HG23 THR A 29 3.716 6.117 -4.999 1.00 0.74 H new ATOM 341 N GLY A 30 3.563 11.214 -5.029 1.00 0.60 N ATOM 342 CA GLY A 30 3.919 12.449 -5.700 1.00 0.64 C ATOM 343 C GLY A 30 5.287 12.936 -5.279 1.00 0.66 C ATOM 344 O GLY A 30 6.064 13.414 -6.104 1.00 0.72 O ATOM 0 H GLY A 30 2.773 11.280 -4.387 1.00 0.60 H new ATOM 0 HA2 GLY A 30 3.903 12.295 -6.779 1.00 0.64 H new ATOM 0 HA3 GLY A 30 3.175 13.213 -5.476 1.00 0.64 H new ATOM 348 N ALA A 31 5.592 12.804 -3.991 1.00 0.65 N ATOM 349 CA ALA A 31 6.888 13.222 -3.475 1.00 0.73 C ATOM 350 C ALA A 31 8.011 12.451 -4.161 1.00 0.75 C ATOM 351 O ALA A 31 9.127 12.951 -4.300 1.00 0.83 O ATOM 352 CB ALA A 31 6.947 13.021 -1.967 1.00 0.82 C ATOM 0 H ALA A 31 4.962 12.413 -3.290 1.00 0.65 H new ATOM 0 HA ALA A 31 7.020 14.283 -3.689 1.00 0.73 H new ATOM 0 HB1 ALA A 31 7.922 13.338 -1.596 1.00 0.82 H new ATOM 0 HB2 ALA A 31 6.167 13.614 -1.490 1.00 0.82 H new ATOM 0 HB3 ALA A 31 6.795 11.967 -1.734 1.00 0.82 H new ATOM 358 N VAL A 32 7.706 11.226 -4.586 1.00 0.76 N ATOM 359 CA VAL A 32 8.689 10.378 -5.260 1.00 0.87 C ATOM 360 C VAL A 32 8.580 10.474 -6.784 1.00 0.91 C ATOM 361 O VAL A 32 9.377 9.874 -7.506 1.00 1.03 O ATOM 362 CB VAL A 32 8.539 8.903 -4.834 1.00 1.04 C ATOM 363 CG1 VAL A 32 7.148 8.392 -5.164 1.00 1.07 C ATOM 364 CG2 VAL A 32 9.603 8.038 -5.496 1.00 1.23 C ATOM 0 H VAL A 32 6.787 10.798 -4.476 1.00 0.76 H new ATOM 0 HA VAL A 32 9.670 10.744 -4.958 1.00 0.87 H new ATOM 0 HB VAL A 32 8.679 8.843 -3.755 1.00 1.04 H new ATOM 0 HG11 VAL A 32 7.061 7.350 -4.856 1.00 1.07 H new ATOM 0 HG12 VAL A 32 6.406 8.990 -4.635 1.00 1.07 H new ATOM 0 HG13 VAL A 32 6.977 8.469 -6.238 1.00 1.07 H new ATOM 0 HG21 VAL A 32 9.478 7.002 -5.181 1.00 1.23 H new ATOM 0 HG22 VAL A 32 9.502 8.103 -6.579 1.00 1.23 H new ATOM 0 HG23 VAL A 32 10.592 8.389 -5.202 1.00 1.23 H new ATOM 368 N GLN A 33 7.592 11.221 -7.272 1.00 0.90 N ATOM 369 CA GLN A 33 7.388 11.380 -8.713 1.00 1.04 C ATOM 370 C GLN A 33 8.668 11.818 -9.427 1.00 1.07 C ATOM 371 O GLN A 33 9.116 11.158 -10.365 1.00 1.22 O ATOM 372 CB GLN A 33 6.278 12.395 -8.985 1.00 1.22 C ATOM 373 CG GLN A 33 4.886 11.787 -9.000 1.00 1.37 C ATOM 374 CD GLN A 33 4.633 10.944 -10.233 1.00 1.19 C ATOM 375 OE1 GLN A 33 4.998 9.670 -10.158 1.00 1.67 O flip ATOM 376 NE2 GLN A 33 4.118 11.430 -11.239 1.00 1.88 N flip ATOM 0 H GLN A 33 6.920 11.726 -6.693 1.00 0.90 H new ATOM 0 HA GLN A 33 7.099 10.405 -9.106 1.00 1.04 H new ATOM 0 HB2 GLN A 33 6.316 13.175 -8.224 1.00 1.22 H new ATOM 0 HB3 GLN A 33 6.465 12.877 -9.945 1.00 1.22 H new ATOM 0 HG2 GLN A 33 4.752 11.172 -8.110 1.00 1.37 H new ATOM 0 HG3 GLN A 33 4.144 12.584 -8.951 1.00 1.37 H new ATOM 0 HE21 GLN A 33 3.853 12.415 -11.251 1.00 1.88 H new ATOM 0 HE22 GLN A 33 3.956 10.848 -12.061 1.00 1.88 H new ATOM 383 N PRO A 34 9.272 12.947 -9.004 1.00 1.04 N ATOM 384 CA PRO A 34 10.495 13.476 -9.614 1.00 1.23 C ATOM 385 C PRO A 34 11.505 12.384 -9.962 1.00 1.50 C ATOM 386 O PRO A 34 11.957 12.287 -11.103 1.00 1.84 O ATOM 387 CB PRO A 34 11.065 14.418 -8.539 1.00 1.29 C ATOM 388 CG PRO A 34 10.113 14.365 -7.383 1.00 1.15 C ATOM 389 CD PRO A 34 8.820 13.812 -7.912 1.00 0.96 C ATOM 0 HA PRO A 34 10.284 13.971 -10.562 1.00 1.23 H new ATOM 0 HB2 PRO A 34 12.063 14.102 -8.235 1.00 1.29 H new ATOM 0 HB3 PRO A 34 11.155 15.435 -8.922 1.00 1.29 H new ATOM 0 HG2 PRO A 34 10.507 13.734 -6.586 1.00 1.15 H new ATOM 0 HG3 PRO A 34 9.964 15.358 -6.959 1.00 1.15 H new ATOM 0 HD2 PRO A 34 8.275 13.254 -7.151 1.00 0.96 H new ATOM 0 HD3 PRO A 34 8.156 14.600 -8.266 1.00 0.96 H new ATOM 397 N GLU A 35 11.855 11.567 -8.975 1.00 1.43 N ATOM 398 CA GLU A 35 12.813 10.486 -9.184 1.00 1.69 C ATOM 399 C GLU A 35 12.159 9.125 -8.962 1.00 1.95 C ATOM 400 O GLU A 35 12.742 8.238 -8.337 1.00 2.55 O ATOM 401 CB GLU A 35 14.015 10.648 -8.251 1.00 1.58 C ATOM 402 CG GLU A 35 15.210 9.796 -8.644 1.00 2.20 C ATOM 403 CD GLU A 35 15.630 10.008 -10.085 1.00 2.95 C ATOM 404 OE1 GLU A 35 14.964 9.455 -10.985 1.00 3.47 O ATOM 405 OE2 GLU A 35 16.625 10.728 -10.313 1.00 3.53 O ATOM 0 H GLU A 35 11.491 11.632 -8.024 1.00 1.43 H new ATOM 0 HA GLU A 35 13.157 10.538 -10.217 1.00 1.69 H new ATOM 0 HB2 GLU A 35 14.315 11.696 -8.238 1.00 1.58 H new ATOM 0 HB3 GLU A 35 13.714 10.390 -7.236 1.00 1.58 H new ATOM 0 HG2 GLU A 35 16.048 10.028 -7.987 1.00 2.20 H new ATOM 0 HG3 GLU A 35 14.967 8.744 -8.491 1.00 2.20 H new ATOM 412 N GLY A 36 10.946 8.966 -9.481 1.00 1.77 N ATOM 413 CA GLY A 36 10.234 7.710 -9.332 1.00 2.19 C ATOM 414 C GLY A 36 10.595 6.707 -10.411 1.00 1.74 C ATOM 415 O GLY A 36 11.070 7.083 -11.482 1.00 1.77 O ATOM 0 H GLY A 36 10.443 9.684 -10.002 1.00 1.77 H new ATOM 0 HA2 GLY A 36 10.457 7.283 -8.354 1.00 2.19 H new ATOM 0 HA3 GLY A 36 9.161 7.899 -9.360 1.00 2.19 H new ATOM 419 N ASN A 37 10.370 5.428 -10.128 1.00 2.06 N ATOM 420 CA ASN A 37 10.676 4.368 -11.082 1.00 2.08 C ATOM 421 C ASN A 37 9.399 3.694 -11.577 1.00 1.73 C ATOM 422 O ASN A 37 8.299 4.023 -11.135 1.00 1.94 O ATOM 423 CB ASN A 37 11.600 3.329 -10.444 1.00 3.12 C ATOM 424 CG ASN A 37 13.066 3.648 -10.662 1.00 3.90 C ATOM 425 OD1 ASN A 37 13.621 3.379 -11.728 1.00 4.50 O ATOM 426 ND2 ASN A 37 13.702 4.227 -9.650 1.00 4.34 N ATOM 0 H ASN A 37 9.977 5.100 -9.246 1.00 2.06 H new ATOM 0 HA ASN A 37 11.182 4.818 -11.936 1.00 2.08 H new ATOM 0 HB2 ASN A 37 11.398 3.275 -9.374 1.00 3.12 H new ATOM 0 HB3 ASN A 37 11.379 2.346 -10.860 1.00 3.12 H new ATOM 0 HD21 ASN A 37 14.689 4.467 -9.738 1.00 4.34 H new ATOM 0 HD22 ASN A 37 13.203 4.432 -8.784 1.00 4.34 H new ATOM 431 N GLU A 38 9.555 2.748 -12.498 1.00 1.77 N ATOM 432 CA GLU A 38 8.415 2.028 -13.053 1.00 1.76 C ATOM 433 C GLU A 38 7.836 1.055 -12.030 1.00 1.90 C ATOM 434 O GLU A 38 8.522 0.139 -11.580 1.00 2.28 O ATOM 435 CB GLU A 38 8.830 1.269 -14.314 1.00 2.18 C ATOM 436 CG GLU A 38 9.253 2.175 -15.459 1.00 2.12 C ATOM 437 CD GLU A 38 10.759 2.321 -15.561 1.00 2.42 C ATOM 438 OE1 GLU A 38 11.390 2.683 -14.545 1.00 2.81 O ATOM 439 OE2 GLU A 38 11.306 2.075 -16.656 1.00 2.88 O ATOM 0 H GLU A 38 10.459 2.463 -12.875 1.00 1.77 H new ATOM 0 HA GLU A 38 7.647 2.757 -13.311 1.00 1.76 H new ATOM 0 HB2 GLU A 38 9.654 0.598 -14.069 1.00 2.18 H new ATOM 0 HB3 GLU A 38 7.998 0.646 -14.643 1.00 2.18 H new ATOM 0 HG2 GLU A 38 8.866 1.775 -16.396 1.00 2.12 H new ATOM 0 HG3 GLU A 38 8.805 3.159 -15.323 1.00 2.12 H new ATOM 446 N VAL A 39 6.573 1.261 -11.664 1.00 1.79 N ATOM 447 CA VAL A 39 5.911 0.395 -10.692 1.00 2.04 C ATOM 448 C VAL A 39 4.397 0.588 -10.713 1.00 1.58 C ATOM 449 O VAL A 39 3.888 1.531 -11.320 1.00 1.86 O ATOM 450 CB VAL A 39 6.421 0.651 -9.259 1.00 2.80 C ATOM 451 CG1 VAL A 39 7.715 -0.106 -9.006 1.00 3.56 C ATOM 452 CG2 VAL A 39 6.608 2.140 -9.010 1.00 3.20 C ATOM 0 H VAL A 39 5.990 2.016 -12.024 1.00 1.79 H new ATOM 0 HA VAL A 39 6.151 -0.628 -10.981 1.00 2.04 H new ATOM 0 HB VAL A 39 5.670 0.283 -8.560 1.00 2.80 H new ATOM 0 HG11 VAL A 39 8.058 0.088 -7.990 1.00 3.56 H new ATOM 0 HG12 VAL A 39 7.542 -1.175 -9.132 1.00 3.56 H new ATOM 0 HG13 VAL A 39 8.475 0.225 -9.714 1.00 3.56 H new ATOM 0 HG21 VAL A 39 6.968 2.296 -7.993 1.00 3.20 H new ATOM 0 HG22 VAL A 39 7.335 2.539 -9.718 1.00 3.20 H new ATOM 0 HG23 VAL A 39 5.655 2.653 -9.140 1.00 3.20 H new ATOM 456 N GLU A 40 3.686 -0.312 -10.040 1.00 1.19 N ATOM 457 CA GLU A 40 2.230 -0.249 -9.968 1.00 0.87 C ATOM 458 C GLU A 40 1.748 -0.607 -8.566 1.00 0.72 C ATOM 459 O GLU A 40 1.502 -1.775 -8.260 1.00 0.71 O ATOM 460 CB GLU A 40 1.603 -1.195 -10.994 1.00 0.85 C ATOM 461 CG GLU A 40 2.248 -2.570 -11.028 1.00 0.98 C ATOM 462 CD GLU A 40 1.258 -3.671 -11.353 1.00 1.62 C ATOM 463 OE1 GLU A 40 0.047 -3.467 -11.123 1.00 2.10 O ATOM 464 OE2 GLU A 40 1.693 -4.738 -11.836 1.00 2.29 O ATOM 0 H GLU A 40 4.097 -1.097 -9.535 1.00 1.19 H new ATOM 0 HA GLU A 40 1.920 0.771 -10.195 1.00 0.87 H new ATOM 0 HB2 GLU A 40 0.542 -1.306 -10.772 1.00 0.85 H new ATOM 0 HB3 GLU A 40 1.676 -0.744 -11.984 1.00 0.85 H new ATOM 0 HG2 GLU A 40 3.047 -2.574 -11.770 1.00 0.98 H new ATOM 0 HG3 GLU A 40 2.709 -2.775 -10.062 1.00 0.98 H new ATOM 471 N MET A 41 1.628 0.409 -7.715 1.00 0.77 N ATOM 472 CA MET A 41 1.189 0.211 -6.338 1.00 0.73 C ATOM 473 C MET A 41 -0.323 0.364 -6.204 1.00 0.68 C ATOM 474 O MET A 41 -0.828 1.462 -5.964 1.00 0.72 O ATOM 475 CB MET A 41 1.895 1.206 -5.414 1.00 0.88 C ATOM 476 CG MET A 41 2.117 0.681 -4.005 1.00 1.06 C ATOM 477 SD MET A 41 2.791 1.932 -2.895 1.00 1.42 S ATOM 478 CE MET A 41 4.507 1.424 -2.807 1.00 1.11 C ATOM 0 H MET A 41 1.829 1.379 -7.956 1.00 0.77 H new ATOM 0 HA MET A 41 1.452 -0.806 -6.048 1.00 0.73 H new ATOM 0 HB2 MET A 41 2.858 1.471 -5.849 1.00 0.88 H new ATOM 0 HB3 MET A 41 1.305 2.121 -5.362 1.00 0.88 H new ATOM 0 HG2 MET A 41 1.171 0.317 -3.604 1.00 1.06 H new ATOM 0 HG3 MET A 41 2.796 -0.170 -4.042 1.00 1.06 H new ATOM 0 HE1 MET A 41 5.055 2.104 -2.155 1.00 1.11 H new ATOM 0 HE2 MET A 41 4.567 0.411 -2.408 1.00 1.11 H new ATOM 0 HE3 MET A 41 4.945 1.447 -3.805 1.00 1.11 H new ATOM 488 N THR A 42 -1.040 -0.745 -6.341 1.00 0.81 N ATOM 489 CA THR A 42 -2.491 -0.729 -6.213 1.00 0.79 C ATOM 490 C THR A 42 -2.885 -1.067 -4.780 1.00 0.77 C ATOM 491 O THR A 42 -2.501 -2.111 -4.253 1.00 1.11 O ATOM 492 CB THR A 42 -3.126 -1.717 -7.193 1.00 0.95 C ATOM 493 OG1 THR A 42 -2.693 -1.455 -8.517 1.00 0.97 O ATOM 494 CG2 THR A 42 -4.639 -1.678 -7.192 1.00 1.61 C ATOM 0 H THR A 42 -0.642 -1.663 -6.540 1.00 0.81 H new ATOM 0 HA THR A 42 -2.857 0.269 -6.453 1.00 0.79 H new ATOM 0 HB THR A 42 -2.805 -2.703 -6.856 1.00 0.95 H new ATOM 0 HG1 THR A 42 -3.108 -2.097 -9.130 1.00 0.97 H new ATOM 0 HG21 THR A 42 -5.022 -2.403 -7.910 1.00 1.61 H new ATOM 0 HG22 THR A 42 -5.009 -1.923 -6.196 1.00 1.61 H new ATOM 0 HG23 THR A 42 -4.977 -0.680 -7.469 1.00 1.61 H new ATOM 499 N VAL A 43 -3.630 -0.173 -4.140 1.00 0.65 N ATOM 500 CA VAL A 43 -4.040 -0.386 -2.757 1.00 0.64 C ATOM 501 C VAL A 43 -5.526 -0.110 -2.549 1.00 0.58 C ATOM 502 O VAL A 43 -6.108 0.778 -3.176 1.00 0.71 O ATOM 503 CB VAL A 43 -3.229 0.494 -1.789 1.00 0.75 C ATOM 504 CG1 VAL A 43 -1.872 -0.134 -1.511 1.00 1.53 C ATOM 505 CG2 VAL A 43 -3.070 1.905 -2.342 1.00 1.51 C ATOM 0 H VAL A 43 -3.960 0.699 -4.552 1.00 0.65 H new ATOM 0 HA VAL A 43 -3.846 -1.437 -2.543 1.00 0.64 H new ATOM 0 HB VAL A 43 -3.775 0.562 -0.848 1.00 0.75 H new ATOM 0 HG11 VAL A 43 -1.311 0.501 -0.825 1.00 1.53 H new ATOM 0 HG12 VAL A 43 -2.011 -1.118 -1.063 1.00 1.53 H new ATOM 0 HG13 VAL A 43 -1.320 -0.235 -2.445 1.00 1.53 H new ATOM 0 HG21 VAL A 43 -2.494 2.508 -1.640 1.00 1.51 H new ATOM 0 HG22 VAL A 43 -2.549 1.864 -3.299 1.00 1.51 H new ATOM 0 HG23 VAL A 43 -4.053 2.353 -2.483 1.00 1.51 H new ATOM 509 N ARG A 44 -6.126 -0.879 -1.648 1.00 0.55 N ATOM 510 CA ARG A 44 -7.538 -0.734 -1.330 1.00 0.54 C ATOM 511 C ARG A 44 -7.772 -0.939 0.164 1.00 0.57 C ATOM 512 O ARG A 44 -7.287 -1.909 0.750 1.00 0.69 O ATOM 513 CB ARG A 44 -8.367 -1.740 -2.131 1.00 0.61 C ATOM 514 CG ARG A 44 -9.858 -1.664 -1.848 1.00 1.19 C ATOM 515 CD ARG A 44 -10.676 -2.074 -3.061 1.00 1.98 C ATOM 516 NE ARG A 44 -11.943 -2.697 -2.682 1.00 2.48 N ATOM 517 CZ ARG A 44 -12.705 -3.393 -3.522 1.00 3.13 C ATOM 518 NH1 ARG A 44 -12.334 -3.558 -4.785 1.00 3.54 N ATOM 519 NH2 ARG A 44 -13.842 -3.926 -3.097 1.00 3.77 N ATOM 0 H ARG A 44 -5.651 -1.613 -1.123 1.00 0.55 H new ATOM 0 HA ARG A 44 -7.850 0.275 -1.598 1.00 0.54 H new ATOM 0 HB2 ARG A 44 -8.199 -1.571 -3.195 1.00 0.61 H new ATOM 0 HB3 ARG A 44 -8.015 -2.747 -1.908 1.00 0.61 H new ATOM 0 HG2 ARG A 44 -10.103 -2.312 -1.006 1.00 1.19 H new ATOM 0 HG3 ARG A 44 -10.123 -0.648 -1.556 1.00 1.19 H new ATOM 0 HD2 ARG A 44 -10.873 -1.198 -3.678 1.00 1.98 H new ATOM 0 HD3 ARG A 44 -10.098 -2.769 -3.670 1.00 1.98 H new ATOM 0 HE ARG A 44 -12.261 -2.592 -1.719 1.00 2.48 H new ATOM 0 HH11 ARG A 44 -11.460 -3.150 -5.117 1.00 3.54 H new ATOM 0 HH12 ARG A 44 -12.923 -4.093 -5.424 1.00 3.54 H new ATOM 0 HH21 ARG A 44 -14.132 -3.802 -2.127 1.00 3.77 H new ATOM 0 HH22 ARG A 44 -14.427 -4.460 -3.740 1.00 3.77 H new ATOM 533 N ILE A 45 -8.513 -0.024 0.779 1.00 0.55 N ATOM 534 CA ILE A 45 -8.800 -0.124 2.203 1.00 0.61 C ATOM 535 C ILE A 45 -10.269 -0.474 2.441 1.00 0.59 C ATOM 536 O ILE A 45 -11.169 0.249 2.013 1.00 0.60 O ATOM 537 CB ILE A 45 -8.431 1.176 2.960 1.00 0.71 C ATOM 538 CG1 ILE A 45 -9.520 2.241 2.797 1.00 0.59 C ATOM 539 CG2 ILE A 45 -7.091 1.707 2.471 1.00 0.94 C ATOM 540 CD1 ILE A 45 -9.146 3.589 3.377 1.00 0.63 C ATOM 0 H ILE A 45 -8.922 0.788 0.318 1.00 0.55 H new ATOM 0 HA ILE A 45 -8.178 -0.927 2.598 1.00 0.61 H new ATOM 0 HB ILE A 45 -8.351 0.939 4.021 1.00 0.71 H new ATOM 0 HG12 ILE A 45 -9.743 2.361 1.737 1.00 0.59 H new ATOM 0 HG13 ILE A 45 -10.434 1.890 3.277 1.00 0.59 H new ATOM 0 HG21 ILE A 45 -6.843 2.621 3.011 1.00 0.94 H new ATOM 0 HG22 ILE A 45 -6.317 0.960 2.648 1.00 0.94 H new ATOM 0 HG23 ILE A 45 -7.152 1.921 1.404 1.00 0.94 H new ATOM 0 HD11 ILE A 45 -9.966 4.291 3.224 1.00 0.63 H new ATOM 0 HD12 ILE A 45 -8.952 3.485 4.445 1.00 0.63 H new ATOM 0 HD13 ILE A 45 -8.251 3.963 2.881 1.00 0.63 H new ATOM 544 N VAL A 46 -10.501 -1.597 3.113 1.00 0.63 N ATOM 545 CA VAL A 46 -11.856 -2.053 3.397 1.00 0.63 C ATOM 546 C VAL A 46 -11.947 -2.662 4.794 1.00 0.64 C ATOM 547 O VAL A 46 -10.935 -3.031 5.388 1.00 0.68 O ATOM 548 CB VAL A 46 -12.319 -3.090 2.352 1.00 0.70 C ATOM 549 CG1 VAL A 46 -11.364 -4.273 2.308 1.00 1.21 C ATOM 550 CG2 VAL A 46 -13.741 -3.552 2.637 1.00 1.52 C ATOM 0 H VAL A 46 -9.767 -2.208 3.471 1.00 0.63 H new ATOM 0 HA VAL A 46 -12.510 -1.183 3.348 1.00 0.63 H new ATOM 0 HB VAL A 46 -12.312 -2.610 1.373 1.00 0.70 H new ATOM 0 HG11 VAL A 46 -11.709 -4.992 1.565 1.00 1.21 H new ATOM 0 HG12 VAL A 46 -10.366 -3.925 2.040 1.00 1.21 H new ATOM 0 HG13 VAL A 46 -11.331 -4.751 3.287 1.00 1.21 H new ATOM 0 HG21 VAL A 46 -14.044 -4.282 1.887 1.00 1.52 H new ATOM 0 HG22 VAL A 46 -13.784 -4.009 3.626 1.00 1.52 H new ATOM 0 HG23 VAL A 46 -14.415 -2.696 2.603 1.00 1.52 H new ATOM 554 N ASP A 47 -13.169 -2.759 5.316 1.00 0.66 N ATOM 555 CA ASP A 47 -13.400 -3.318 6.647 1.00 0.71 C ATOM 556 C ASP A 47 -12.664 -4.642 6.831 1.00 0.74 C ATOM 557 O ASP A 47 -12.063 -5.169 5.895 1.00 0.81 O ATOM 558 CB ASP A 47 -14.897 -3.520 6.882 1.00 0.75 C ATOM 559 CG ASP A 47 -15.307 -3.193 8.305 1.00 1.35 C ATOM 560 OD1 ASP A 47 -15.246 -4.098 9.164 1.00 2.11 O ATOM 561 OD2 ASP A 47 -15.689 -2.031 8.562 1.00 1.88 O ATOM 0 H ASP A 47 -14.017 -2.457 4.836 1.00 0.66 H new ATOM 0 HA ASP A 47 -13.011 -2.609 7.378 1.00 0.71 H new ATOM 0 HB2 ASP A 47 -15.459 -2.891 6.191 1.00 0.75 H new ATOM 0 HB3 ASP A 47 -15.161 -4.554 6.659 1.00 0.75 H new ATOM 566 N GLU A 48 -12.713 -5.172 8.049 1.00 0.76 N ATOM 567 CA GLU A 48 -12.049 -6.432 8.368 1.00 0.82 C ATOM 568 C GLU A 48 -12.784 -7.617 7.747 1.00 0.79 C ATOM 569 O GLU A 48 -12.229 -8.338 6.918 1.00 0.83 O ATOM 570 CB GLU A 48 -11.961 -6.612 9.884 1.00 0.92 C ATOM 571 CG GLU A 48 -10.698 -7.321 10.342 1.00 1.39 C ATOM 572 CD GLU A 48 -9.439 -6.555 9.988 1.00 1.59 C ATOM 573 OE1 GLU A 48 -9.168 -5.524 10.640 1.00 2.30 O ATOM 574 OE2 GLU A 48 -8.724 -6.984 9.059 1.00 1.81 O ATOM 0 H GLU A 48 -13.207 -4.747 8.834 1.00 0.76 H new ATOM 0 HA GLU A 48 -11.043 -6.397 7.949 1.00 0.82 H new ATOM 0 HB2 GLU A 48 -12.011 -5.633 10.361 1.00 0.92 H new ATOM 0 HB3 GLU A 48 -12.828 -7.177 10.225 1.00 0.92 H new ATOM 0 HG2 GLU A 48 -10.739 -7.467 11.421 1.00 1.39 H new ATOM 0 HG3 GLU A 48 -10.656 -8.311 9.888 1.00 1.39 H new ATOM 581 N ALA A 49 -14.032 -7.817 8.160 1.00 0.86 N ATOM 582 CA ALA A 49 -14.843 -8.920 7.652 1.00 0.89 C ATOM 583 C ALA A 49 -14.908 -8.914 6.130 1.00 0.83 C ATOM 584 O ALA A 49 -14.563 -9.900 5.478 1.00 0.80 O ATOM 585 CB ALA A 49 -16.244 -8.858 8.241 1.00 0.99 C ATOM 0 H ALA A 49 -14.505 -7.229 8.846 1.00 0.86 H new ATOM 0 HA ALA A 49 -14.368 -9.851 7.959 1.00 0.89 H new ATOM 0 HB1 ALA A 49 -16.838 -9.686 7.854 1.00 0.99 H new ATOM 0 HB2 ALA A 49 -16.186 -8.930 9.327 1.00 0.99 H new ATOM 0 HB3 ALA A 49 -16.714 -7.914 7.964 1.00 0.99 H new ATOM 591 N GLU A 50 -15.358 -7.799 5.572 1.00 0.87 N ATOM 592 CA GLU A 50 -15.481 -7.656 4.123 1.00 0.88 C ATOM 593 C GLU A 50 -14.181 -8.033 3.416 1.00 0.84 C ATOM 594 O GLU A 50 -14.178 -8.844 2.491 1.00 0.85 O ATOM 595 CB GLU A 50 -15.872 -6.223 3.763 1.00 0.98 C ATOM 596 CG GLU A 50 -17.164 -5.762 4.418 1.00 1.52 C ATOM 597 CD GLU A 50 -17.538 -4.344 4.035 1.00 1.54 C ATOM 598 OE1 GLU A 50 -16.844 -3.406 4.481 1.00 2.17 O ATOM 599 OE2 GLU A 50 -18.525 -4.170 3.289 1.00 1.85 O ATOM 0 H GLU A 50 -15.646 -6.976 6.101 1.00 0.87 H new ATOM 0 HA GLU A 50 -16.262 -8.337 3.786 1.00 0.88 H new ATOM 0 HB2 GLU A 50 -15.066 -5.551 4.056 1.00 0.98 H new ATOM 0 HB3 GLU A 50 -15.975 -6.144 2.681 1.00 0.98 H new ATOM 0 HG2 GLU A 50 -17.972 -6.436 4.134 1.00 1.52 H new ATOM 0 HG3 GLU A 50 -17.061 -5.827 5.501 1.00 1.52 H new ATOM 606 N SER A 51 -13.078 -7.439 3.860 1.00 0.87 N ATOM 607 CA SER A 51 -11.769 -7.710 3.271 1.00 0.92 C ATOM 608 C SER A 51 -11.452 -9.202 3.301 1.00 0.84 C ATOM 609 O SER A 51 -11.275 -9.837 2.258 1.00 0.83 O ATOM 610 CB SER A 51 -10.686 -6.940 4.026 1.00 1.04 C ATOM 611 OG SER A 51 -10.520 -7.448 5.338 1.00 1.90 O ATOM 0 H SER A 51 -13.063 -6.766 4.626 1.00 0.87 H new ATOM 0 HA SER A 51 -11.792 -7.383 2.232 1.00 0.92 H new ATOM 0 HB2 SER A 51 -9.743 -7.008 3.484 1.00 1.04 H new ATOM 0 HB3 SER A 51 -10.952 -5.884 4.072 1.00 1.04 H new ATOM 0 HG SER A 51 -11.374 -7.405 5.816 1.00 1.90 H new ATOM 617 N HIS A 52 -11.378 -9.751 4.507 1.00 0.86 N ATOM 618 CA HIS A 52 -11.078 -11.165 4.690 1.00 0.86 C ATOM 619 C HIS A 52 -12.034 -12.034 3.885 1.00 0.83 C ATOM 620 O HIS A 52 -11.607 -12.934 3.162 1.00 0.90 O ATOM 621 CB HIS A 52 -11.142 -11.518 6.171 1.00 0.94 C ATOM 622 CG HIS A 52 -10.198 -10.702 6.996 1.00 0.99 C ATOM 623 ND1 HIS A 52 -8.923 -10.391 6.577 1.00 1.39 N ATOM 624 CD2 HIS A 52 -10.347 -10.122 8.210 1.00 1.61 C ATOM 625 CE1 HIS A 52 -8.326 -9.661 7.499 1.00 1.28 C ATOM 626 NE2 HIS A 52 -9.167 -9.480 8.501 1.00 1.39 N ATOM 0 H HIS A 52 -11.522 -9.236 5.376 1.00 0.86 H new ATOM 0 HA HIS A 52 -10.069 -11.358 4.324 1.00 0.86 H new ATOM 0 HB2 HIS A 52 -12.159 -11.368 6.533 1.00 0.94 H new ATOM 0 HB3 HIS A 52 -10.911 -12.575 6.299 1.00 0.94 H new ATOM 0 HD2 HIS A 52 -11.228 -10.157 8.833 1.00 1.61 H new ATOM 0 HE1 HIS A 52 -7.319 -9.276 7.444 1.00 1.28 H new ATOM 0 HE2 HIS A 52 -8.973 -8.951 9.351 1.00 1.39 H new ATOM 635 N GLU A 53 -13.326 -11.750 3.995 1.00 0.86 N ATOM 636 CA GLU A 53 -14.325 -12.503 3.252 1.00 0.95 C ATOM 637 C GLU A 53 -14.099 -12.322 1.756 1.00 0.94 C ATOM 638 O GLU A 53 -14.337 -13.234 0.963 1.00 0.95 O ATOM 639 CB GLU A 53 -15.736 -12.045 3.631 1.00 1.10 C ATOM 640 CG GLU A 53 -16.342 -12.830 4.783 1.00 1.68 C ATOM 641 CD GLU A 53 -17.824 -13.090 4.594 1.00 2.38 C ATOM 642 OE1 GLU A 53 -18.272 -13.156 3.430 1.00 3.10 O ATOM 643 OE2 GLU A 53 -18.536 -13.228 5.611 1.00 2.71 O ATOM 0 H GLU A 53 -13.703 -11.010 4.587 1.00 0.86 H new ATOM 0 HA GLU A 53 -14.227 -13.559 3.504 1.00 0.95 H new ATOM 0 HB2 GLU A 53 -15.707 -10.989 3.898 1.00 1.10 H new ATOM 0 HB3 GLU A 53 -16.385 -12.136 2.760 1.00 1.10 H new ATOM 0 HG2 GLU A 53 -15.820 -13.781 4.884 1.00 1.68 H new ATOM 0 HG3 GLU A 53 -16.188 -12.282 5.712 1.00 1.68 H new ATOM 650 N LEU A 54 -13.625 -11.136 1.383 1.00 0.95 N ATOM 651 CA LEU A 54 -13.350 -10.822 -0.012 1.00 1.00 C ATOM 652 C LEU A 54 -12.161 -11.629 -0.521 1.00 0.89 C ATOM 653 O LEU A 54 -12.099 -11.990 -1.696 1.00 0.93 O ATOM 654 CB LEU A 54 -13.076 -9.325 -0.171 1.00 1.06 C ATOM 655 CG LEU A 54 -12.911 -8.829 -1.614 1.00 1.15 C ATOM 656 CD1 LEU A 54 -13.812 -9.602 -2.567 1.00 1.23 C ATOM 657 CD2 LEU A 54 -13.208 -7.340 -1.695 1.00 1.24 C ATOM 0 H LEU A 54 -13.423 -10.375 2.032 1.00 0.95 H new ATOM 0 HA LEU A 54 -14.226 -11.087 -0.604 1.00 1.00 H new ATOM 0 HB2 LEU A 54 -13.894 -8.773 0.292 1.00 1.06 H new ATOM 0 HB3 LEU A 54 -12.171 -9.079 0.384 1.00 1.06 H new ATOM 0 HG LEU A 54 -11.878 -9.000 -1.915 1.00 1.15 H new ATOM 0 HD11 LEU A 54 -13.674 -9.229 -3.582 1.00 1.23 H new ATOM 0 HD12 LEU A 54 -13.556 -10.661 -2.532 1.00 1.23 H new ATOM 0 HD13 LEU A 54 -14.853 -9.471 -2.271 1.00 1.23 H new ATOM 0 HD21 LEU A 54 -13.087 -7.000 -2.724 1.00 1.24 H new ATOM 0 HD22 LEU A 54 -14.232 -7.155 -1.369 1.00 1.24 H new ATOM 0 HD23 LEU A 54 -12.518 -6.796 -1.050 1.00 1.24 H new ATOM 663 N ASN A 55 -11.222 -11.919 0.376 1.00 0.78 N ATOM 664 CA ASN A 55 -10.041 -12.694 0.018 1.00 0.71 C ATOM 665 C ASN A 55 -10.442 -14.084 -0.446 1.00 0.69 C ATOM 666 O ASN A 55 -10.197 -14.480 -1.588 1.00 0.74 O ATOM 667 CB ASN A 55 -9.116 -12.827 1.224 1.00 0.68 C ATOM 668 CG ASN A 55 -8.717 -11.489 1.812 1.00 1.33 C ATOM 669 OD1 ASN A 55 -8.175 -11.516 3.026 1.00 2.28 O flip ATOM 670 ND2 ASN A 55 -8.892 -10.444 1.186 1.00 1.42 N flip ATOM 0 H ASN A 55 -11.257 -11.629 1.353 1.00 0.78 H new ATOM 0 HA ASN A 55 -9.524 -12.175 -0.789 1.00 0.71 H new ATOM 0 HB2 ASN A 55 -9.611 -13.422 1.991 1.00 0.68 H new ATOM 0 HB3 ASN A 55 -8.218 -13.371 0.929 1.00 0.68 H new ATOM 0 HD21 ASN A 55 -9.312 -10.470 0.257 1.00 1.42 H new ATOM 0 HD22 ASN A 55 -8.617 -9.552 1.596 1.00 1.42 H new ATOM 675 N LEU A 56 -11.069 -14.817 0.461 1.00 0.71 N ATOM 676 CA LEU A 56 -11.521 -16.164 0.166 1.00 0.79 C ATOM 677 C LEU A 56 -12.616 -16.128 -0.884 1.00 0.87 C ATOM 678 O LEU A 56 -12.699 -17.014 -1.736 1.00 0.97 O ATOM 679 CB LEU A 56 -12.004 -16.861 1.441 1.00 0.84 C ATOM 680 CG LEU A 56 -10.993 -16.857 2.593 1.00 0.89 C ATOM 681 CD1 LEU A 56 -11.186 -15.630 3.471 1.00 0.91 C ATOM 682 CD2 LEU A 56 -11.114 -18.126 3.420 1.00 0.92 C ATOM 0 H LEU A 56 -11.276 -14.500 1.408 1.00 0.71 H new ATOM 0 HA LEU A 56 -10.683 -16.737 -0.231 1.00 0.79 H new ATOM 0 HB2 LEU A 56 -12.921 -16.378 1.778 1.00 0.84 H new ATOM 0 HB3 LEU A 56 -12.257 -17.894 1.201 1.00 0.84 H new ATOM 0 HG LEU A 56 -9.991 -16.821 2.165 1.00 0.89 H new ATOM 0 HD11 LEU A 56 -10.459 -15.646 4.283 1.00 0.91 H new ATOM 0 HD12 LEU A 56 -11.044 -14.729 2.874 1.00 0.91 H new ATOM 0 HD13 LEU A 56 -12.194 -15.635 3.886 1.00 0.91 H new ATOM 0 HD21 LEU A 56 -10.387 -18.102 4.232 1.00 0.92 H new ATOM 0 HD22 LEU A 56 -12.120 -18.195 3.835 1.00 0.92 H new ATOM 0 HD23 LEU A 56 -10.922 -18.992 2.787 1.00 0.92 H new ATOM 688 N THR A 57 -13.427 -15.076 -0.855 1.00 0.93 N ATOM 689 CA THR A 57 -14.474 -14.918 -1.850 1.00 1.09 C ATOM 690 C THR A 57 -13.831 -14.835 -3.233 1.00 1.14 C ATOM 691 O THR A 57 -14.469 -15.105 -4.250 1.00 1.27 O ATOM 692 CB THR A 57 -15.308 -13.664 -1.564 1.00 1.23 C ATOM 693 OG1 THR A 57 -16.181 -13.882 -0.471 1.00 1.51 O ATOM 694 CG2 THR A 57 -16.156 -13.219 -2.738 1.00 1.45 C ATOM 0 H THR A 57 -13.379 -14.330 -0.161 1.00 0.93 H new ATOM 0 HA THR A 57 -15.145 -15.776 -1.812 1.00 1.09 H new ATOM 0 HB THR A 57 -14.580 -12.883 -1.346 1.00 1.23 H new ATOM 0 HG1 THR A 57 -15.835 -13.420 0.321 1.00 1.51 H new ATOM 0 HG21 THR A 57 -16.719 -12.327 -2.463 1.00 1.45 H new ATOM 0 HG22 THR A 57 -15.512 -12.994 -3.588 1.00 1.45 H new ATOM 0 HG23 THR A 57 -16.849 -14.016 -3.009 1.00 1.45 H new ATOM 699 N TYR A 58 -12.547 -14.468 -3.248 1.00 1.08 N ATOM 700 CA TYR A 58 -11.790 -14.359 -4.483 1.00 1.17 C ATOM 701 C TYR A 58 -11.094 -15.676 -4.806 1.00 1.08 C ATOM 702 O TYR A 58 -11.185 -16.170 -5.931 1.00 1.19 O ATOM 703 CB TYR A 58 -10.746 -13.245 -4.378 1.00 1.25 C ATOM 704 CG TYR A 58 -11.272 -11.864 -4.702 1.00 1.20 C ATOM 705 CD1 TYR A 58 -12.186 -11.663 -5.730 1.00 1.67 C ATOM 706 CD2 TYR A 58 -10.846 -10.759 -3.979 1.00 1.25 C ATOM 707 CE1 TYR A 58 -12.658 -10.398 -6.026 1.00 2.23 C ATOM 708 CE2 TYR A 58 -11.314 -9.492 -4.268 1.00 1.55 C ATOM 709 CZ TYR A 58 -12.220 -9.316 -5.292 1.00 2.11 C ATOM 710 OH TYR A 58 -12.688 -8.055 -5.584 1.00 2.74 O ATOM 0 H TYR A 58 -12.013 -14.241 -2.409 1.00 1.08 H new ATOM 0 HA TYR A 58 -12.490 -14.120 -5.284 1.00 1.17 H new ATOM 0 HB2 TYR A 58 -10.340 -13.238 -3.366 1.00 1.25 H new ATOM 0 HB3 TYR A 58 -9.920 -13.473 -5.051 1.00 1.25 H new ATOM 0 HD1 TYR A 58 -12.533 -12.508 -6.306 1.00 1.67 H new ATOM 0 HD2 TYR A 58 -10.136 -10.892 -3.176 1.00 1.25 H new ATOM 0 HE1 TYR A 58 -13.367 -10.258 -6.829 1.00 2.23 H new ATOM 0 HE2 TYR A 58 -10.972 -8.643 -3.694 1.00 1.55 H new ATOM 0 HH TYR A 58 -12.281 -7.406 -4.973 1.00 2.74 H new ATOM 720 N ARG A 59 -10.384 -16.246 -3.826 1.00 0.99 N ATOM 721 CA ARG A 59 -9.676 -17.505 -4.062 1.00 0.99 C ATOM 722 C ARG A 59 -9.437 -18.323 -2.792 1.00 0.90 C ATOM 723 O ARG A 59 -9.429 -19.553 -2.839 1.00 0.97 O ATOM 724 CB ARG A 59 -8.332 -17.214 -4.722 1.00 1.05 C ATOM 725 CG ARG A 59 -7.375 -16.437 -3.833 1.00 1.58 C ATOM 726 CD ARG A 59 -6.414 -17.363 -3.106 1.00 1.65 C ATOM 727 NE ARG A 59 -5.279 -17.739 -3.946 1.00 2.22 N ATOM 728 CZ ARG A 59 -4.117 -18.181 -3.470 1.00 2.71 C ATOM 729 NH1 ARG A 59 -3.935 -18.318 -2.163 1.00 3.08 N ATOM 730 NH2 ARG A 59 -3.135 -18.492 -4.307 1.00 3.32 N ATOM 0 H ARG A 59 -10.286 -15.866 -2.885 1.00 0.99 H new ATOM 0 HA ARG A 59 -10.317 -18.103 -4.709 1.00 0.99 H new ATOM 0 HB2 ARG A 59 -7.865 -18.157 -5.008 1.00 1.05 H new ATOM 0 HB3 ARG A 59 -8.501 -16.651 -5.640 1.00 1.05 H new ATOM 0 HG2 ARG A 59 -6.811 -15.727 -4.437 1.00 1.58 H new ATOM 0 HG3 ARG A 59 -7.943 -15.856 -3.106 1.00 1.58 H new ATOM 0 HD2 ARG A 59 -6.051 -16.873 -2.203 1.00 1.65 H new ATOM 0 HD3 ARG A 59 -6.945 -18.261 -2.790 1.00 1.65 H new ATOM 0 HE ARG A 59 -5.383 -17.658 -4.957 1.00 2.22 H new ATOM 0 HH11 ARG A 59 -4.688 -18.084 -1.516 1.00 3.08 H new ATOM 0 HH12 ARG A 59 -3.042 -18.657 -1.805 1.00 3.08 H new ATOM 0 HH21 ARG A 59 -3.271 -18.392 -5.313 1.00 3.32 H new ATOM 0 HH22 ARG A 59 -2.244 -18.831 -3.944 1.00 3.32 H new ATOM 744 N GLY A 60 -9.226 -17.652 -1.666 1.00 0.81 N ATOM 745 CA GLY A 60 -8.974 -18.366 -0.423 1.00 0.80 C ATOM 746 C GLY A 60 -7.636 -18.001 0.193 1.00 0.78 C ATOM 747 O GLY A 60 -6.840 -18.876 0.530 1.00 0.88 O ATOM 0 H GLY A 60 -9.224 -16.635 -1.588 1.00 0.81 H new ATOM 0 HA2 GLY A 60 -9.770 -18.145 0.288 1.00 0.80 H new ATOM 0 HA3 GLY A 60 -9.004 -19.439 -0.611 1.00 0.80 H new ATOM 751 N LYS A 61 -7.391 -16.703 0.336 1.00 0.76 N ATOM 752 CA LYS A 61 -6.142 -16.217 0.913 1.00 0.90 C ATOM 753 C LYS A 61 -6.073 -16.519 2.407 1.00 0.95 C ATOM 754 O LYS A 61 -6.838 -17.333 2.923 1.00 1.42 O ATOM 755 CB LYS A 61 -5.991 -14.715 0.673 1.00 1.17 C ATOM 756 CG LYS A 61 -6.303 -14.291 -0.753 1.00 1.31 C ATOM 757 CD LYS A 61 -5.112 -13.606 -1.405 1.00 1.00 C ATOM 758 CE LYS A 61 -4.194 -14.607 -2.092 1.00 1.42 C ATOM 759 NZ LYS A 61 -3.245 -15.244 -1.137 1.00 2.13 N ATOM 0 H LYS A 61 -8.041 -15.967 0.060 1.00 0.76 H new ATOM 0 HA LYS A 61 -5.321 -16.738 0.421 1.00 0.90 H new ATOM 0 HB2 LYS A 61 -6.651 -14.179 1.355 1.00 1.17 H new ATOM 0 HB3 LYS A 61 -4.971 -14.418 0.916 1.00 1.17 H new ATOM 0 HG2 LYS A 61 -6.587 -15.165 -1.339 1.00 1.31 H new ATOM 0 HG3 LYS A 61 -7.158 -13.615 -0.754 1.00 1.31 H new ATOM 0 HD2 LYS A 61 -5.466 -12.877 -2.134 1.00 1.00 H new ATOM 0 HD3 LYS A 61 -4.550 -13.056 -0.650 1.00 1.00 H new ATOM 0 HE2 LYS A 61 -4.795 -15.378 -2.574 1.00 1.42 H new ATOM 0 HE3 LYS A 61 -3.632 -14.103 -2.878 1.00 1.42 H new ATOM 0 HZ1 LYS A 61 -2.341 -15.429 -1.617 1.00 2.13 H new ATOM 0 HZ2 LYS A 61 -3.084 -14.607 -0.330 1.00 2.13 H new ATOM 0 HZ3 LYS A 61 -3.646 -16.141 -0.796 1.00 2.13 H new ATOM 773 N ASP A 62 -5.134 -15.866 3.084 1.00 1.17 N ATOM 774 CA ASP A 62 -4.927 -16.049 4.517 1.00 1.25 C ATOM 775 C ASP A 62 -6.222 -15.861 5.318 1.00 1.66 C ATOM 776 O ASP A 62 -7.322 -16.042 4.800 1.00 2.50 O ATOM 777 CB ASP A 62 -3.851 -15.077 5.010 1.00 1.84 C ATOM 778 CG ASP A 62 -2.892 -15.723 5.990 1.00 2.50 C ATOM 779 OD1 ASP A 62 -3.187 -15.716 7.203 1.00 2.95 O ATOM 780 OD2 ASP A 62 -1.844 -16.238 5.543 1.00 3.06 O ATOM 0 H ASP A 62 -4.496 -15.196 2.656 1.00 1.17 H new ATOM 0 HA ASP A 62 -4.597 -17.076 4.677 1.00 1.25 H new ATOM 0 HB2 ASP A 62 -3.291 -14.696 4.156 1.00 1.84 H new ATOM 0 HB3 ASP A 62 -4.329 -14.221 5.485 1.00 1.84 H new ATOM 785 N ARG A 63 -6.075 -15.504 6.593 1.00 1.71 N ATOM 786 CA ARG A 63 -7.211 -15.300 7.481 1.00 2.49 C ATOM 787 C ARG A 63 -7.138 -13.911 8.117 1.00 2.22 C ATOM 788 O ARG A 63 -6.264 -13.120 7.766 1.00 1.77 O ATOM 789 CB ARG A 63 -7.214 -16.391 8.557 1.00 3.33 C ATOM 790 CG ARG A 63 -8.464 -17.258 8.544 1.00 4.23 C ATOM 791 CD ARG A 63 -8.122 -18.733 8.405 1.00 4.88 C ATOM 792 NE ARG A 63 -9.262 -19.594 8.711 1.00 5.84 N ATOM 793 CZ ARG A 63 -10.230 -19.880 7.842 1.00 6.66 C ATOM 794 NH1 ARG A 63 -10.202 -19.377 6.614 1.00 6.76 N ATOM 795 NH2 ARG A 63 -11.231 -20.671 8.203 1.00 7.66 N ATOM 0 H ARG A 63 -5.169 -15.349 7.035 1.00 1.71 H new ATOM 0 HA ARG A 63 -8.138 -15.363 6.911 1.00 2.49 H new ATOM 0 HB2 ARG A 63 -6.340 -17.027 8.420 1.00 3.33 H new ATOM 0 HB3 ARG A 63 -7.117 -15.923 9.537 1.00 3.33 H new ATOM 0 HG2 ARG A 63 -9.027 -17.100 9.464 1.00 4.23 H new ATOM 0 HG3 ARG A 63 -9.109 -16.954 7.720 1.00 4.23 H new ATOM 0 HD2 ARG A 63 -7.781 -18.931 7.389 1.00 4.88 H new ATOM 0 HD3 ARG A 63 -7.295 -18.977 9.072 1.00 4.88 H new ATOM 0 HE ARG A 63 -9.320 -20.000 9.645 1.00 5.84 H new ATOM 0 HH11 ARG A 63 -9.435 -18.767 6.330 1.00 6.76 H new ATOM 0 HH12 ARG A 63 -10.947 -19.601 5.954 1.00 6.76 H new ATOM 0 HH21 ARG A 63 -11.259 -21.060 9.146 1.00 7.66 H new ATOM 0 HH22 ARG A 63 -11.973 -20.891 7.538 1.00 7.66 H new ATOM 809 N PRO A 64 -8.052 -13.582 9.056 1.00 3.04 N ATOM 810 CA PRO A 64 -8.067 -12.273 9.716 1.00 3.30 C ATOM 811 C PRO A 64 -6.673 -11.784 10.102 1.00 2.79 C ATOM 812 O PRO A 64 -6.190 -12.047 11.203 1.00 3.00 O ATOM 813 CB PRO A 64 -8.921 -12.528 10.953 1.00 4.45 C ATOM 814 CG PRO A 64 -9.899 -13.555 10.502 1.00 4.81 C ATOM 815 CD PRO A 64 -9.151 -14.446 9.545 1.00 4.12 C ATOM 0 HA PRO A 64 -8.452 -11.488 9.065 1.00 3.30 H new ATOM 0 HB2 PRO A 64 -8.319 -12.888 11.788 1.00 4.45 H new ATOM 0 HB3 PRO A 64 -9.421 -11.619 11.289 1.00 4.45 H new ATOM 0 HG2 PRO A 64 -10.284 -14.126 11.347 1.00 4.81 H new ATOM 0 HG3 PRO A 64 -10.756 -13.091 10.014 1.00 4.81 H new ATOM 0 HD2 PRO A 64 -8.770 -15.338 10.042 1.00 4.12 H new ATOM 0 HD3 PRO A 64 -9.789 -14.784 8.729 1.00 4.12 H new ATOM 823 N THR A 65 -6.036 -11.070 9.178 1.00 2.27 N ATOM 824 CA THR A 65 -4.698 -10.536 9.394 1.00 2.01 C ATOM 825 C THR A 65 -4.754 -9.047 9.740 1.00 1.59 C ATOM 826 O THR A 65 -5.809 -8.524 10.101 1.00 1.81 O ATOM 827 CB THR A 65 -3.846 -10.754 8.138 1.00 2.13 C ATOM 828 OG1 THR A 65 -2.478 -10.511 8.411 1.00 2.47 O ATOM 829 CG2 THR A 65 -4.249 -9.869 6.976 1.00 2.82 C ATOM 0 H THR A 65 -6.431 -10.847 8.264 1.00 2.27 H new ATOM 0 HA THR A 65 -4.245 -11.063 10.234 1.00 2.01 H new ATOM 0 HB THR A 65 -4.013 -11.793 7.854 1.00 2.13 H new ATOM 0 HG1 THR A 65 -2.306 -10.647 9.366 1.00 2.47 H new ATOM 0 HG21 THR A 65 -3.605 -10.076 6.121 1.00 2.82 H new ATOM 0 HG22 THR A 65 -5.286 -10.071 6.707 1.00 2.82 H new ATOM 0 HG23 THR A 65 -4.146 -8.822 7.263 1.00 2.82 H new ATOM 834 N ASN A 66 -3.615 -8.372 9.617 1.00 1.36 N ATOM 835 CA ASN A 66 -3.532 -6.945 9.909 1.00 1.09 C ATOM 836 C ASN A 66 -3.426 -6.139 8.619 1.00 0.83 C ATOM 837 O ASN A 66 -3.892 -5.002 8.545 1.00 1.09 O ATOM 838 CB ASN A 66 -2.328 -6.655 10.808 1.00 1.37 C ATOM 839 CG ASN A 66 -2.380 -5.267 11.414 1.00 1.54 C ATOM 840 OD1 ASN A 66 -3.402 -4.853 11.960 1.00 2.36 O ATOM 841 ND2 ASN A 66 -1.273 -4.539 11.318 1.00 1.35 N ATOM 0 H ASN A 66 -2.735 -8.791 9.316 1.00 1.36 H new ATOM 0 HA ASN A 66 -4.442 -6.649 10.431 1.00 1.09 H new ATOM 0 HB2 ASN A 66 -2.288 -7.396 11.607 1.00 1.37 H new ATOM 0 HB3 ASN A 66 -1.411 -6.761 10.228 1.00 1.37 H new ATOM 0 HD21 ASN A 66 -1.248 -3.596 11.706 1.00 1.35 H new ATOM 0 HD22 ASN A 66 -0.448 -4.923 10.856 1.00 1.35 H new ATOM 846 N VAL A 67 -2.812 -6.737 7.603 1.00 0.71 N ATOM 847 CA VAL A 67 -2.647 -6.076 6.314 1.00 0.79 C ATOM 848 C VAL A 67 -2.519 -7.094 5.186 1.00 0.79 C ATOM 849 O VAL A 67 -1.416 -7.505 4.828 1.00 0.81 O ATOM 850 CB VAL A 67 -1.411 -5.157 6.301 1.00 1.12 C ATOM 851 CG1 VAL A 67 -1.363 -4.344 5.015 1.00 1.59 C ATOM 852 CG2 VAL A 67 -1.409 -4.244 7.517 1.00 1.51 C ATOM 0 H VAL A 67 -2.421 -7.678 7.648 1.00 0.71 H new ATOM 0 HA VAL A 67 -3.540 -5.471 6.157 1.00 0.79 H new ATOM 0 HB VAL A 67 -0.518 -5.781 6.344 1.00 1.12 H new ATOM 0 HG11 VAL A 67 -0.483 -3.701 5.024 1.00 1.59 H new ATOM 0 HG12 VAL A 67 -1.311 -5.018 4.160 1.00 1.59 H new ATOM 0 HG13 VAL A 67 -2.260 -3.730 4.939 1.00 1.59 H new ATOM 0 HG21 VAL A 67 -0.528 -3.603 7.489 1.00 1.51 H new ATOM 0 HG22 VAL A 67 -2.307 -3.627 7.510 1.00 1.51 H new ATOM 0 HG23 VAL A 67 -1.390 -4.847 8.425 1.00 1.51 H new ATOM 856 N LEU A 68 -3.656 -7.486 4.630 1.00 0.86 N ATOM 857 CA LEU A 68 -3.682 -8.449 3.537 1.00 0.89 C ATOM 858 C LEU A 68 -3.622 -7.727 2.194 1.00 0.81 C ATOM 859 O LEU A 68 -3.928 -6.537 2.107 1.00 0.75 O ATOM 860 CB LEU A 68 -4.941 -9.309 3.628 1.00 0.99 C ATOM 861 CG LEU A 68 -4.892 -10.611 2.827 1.00 1.22 C ATOM 862 CD1 LEU A 68 -5.141 -11.807 3.734 1.00 2.06 C ATOM 863 CD2 LEU A 68 -5.909 -10.575 1.698 1.00 1.10 C ATOM 0 H LEU A 68 -4.575 -7.151 4.918 1.00 0.86 H new ATOM 0 HA LEU A 68 -2.810 -9.098 3.617 1.00 0.89 H new ATOM 0 HB2 LEU A 68 -5.123 -9.551 4.675 1.00 0.99 H new ATOM 0 HB3 LEU A 68 -5.791 -8.720 3.284 1.00 0.99 H new ATOM 0 HG LEU A 68 -3.897 -10.713 2.393 1.00 1.22 H new ATOM 0 HD11 LEU A 68 -5.102 -12.724 3.146 1.00 2.06 H new ATOM 0 HD12 LEU A 68 -4.376 -11.841 4.510 1.00 2.06 H new ATOM 0 HD13 LEU A 68 -6.123 -11.714 4.197 1.00 2.06 H new ATOM 0 HD21 LEU A 68 -5.863 -11.508 1.137 1.00 1.10 H new ATOM 0 HD22 LEU A 68 -6.909 -10.451 2.113 1.00 1.10 H new ATOM 0 HD23 LEU A 68 -5.686 -9.740 1.033 1.00 1.10 H new ATOM 869 N SER A 69 -3.213 -8.439 1.149 1.00 0.96 N ATOM 870 CA SER A 69 -3.102 -7.837 -0.176 1.00 0.97 C ATOM 871 C SER A 69 -3.327 -8.856 -1.287 1.00 0.86 C ATOM 872 O SER A 69 -3.638 -10.020 -1.030 1.00 0.89 O ATOM 873 CB SER A 69 -1.723 -7.204 -0.342 1.00 1.18 C ATOM 874 OG SER A 69 -1.300 -6.577 0.857 1.00 1.85 O ATOM 0 H SER A 69 -2.955 -9.425 1.192 1.00 0.96 H new ATOM 0 HA SER A 69 -3.878 -7.076 -0.256 1.00 0.97 H new ATOM 0 HB2 SER A 69 -1.001 -7.968 -0.630 1.00 1.18 H new ATOM 0 HB3 SER A 69 -1.751 -6.471 -1.149 1.00 1.18 H new ATOM 0 HG SER A 69 -0.503 -6.035 0.679 1.00 1.85 H new ATOM 880 N PHE A 70 -3.153 -8.403 -2.526 1.00 0.81 N ATOM 881 CA PHE A 70 -3.320 -9.259 -3.694 1.00 0.82 C ATOM 882 C PHE A 70 -2.170 -9.046 -4.676 1.00 0.91 C ATOM 883 O PHE A 70 -2.291 -8.280 -5.635 1.00 1.03 O ATOM 884 CB PHE A 70 -4.653 -8.974 -4.387 1.00 0.89 C ATOM 885 CG PHE A 70 -5.854 -9.350 -3.567 1.00 0.96 C ATOM 886 CD1 PHE A 70 -6.000 -10.637 -3.078 1.00 1.81 C ATOM 887 CD2 PHE A 70 -6.838 -8.415 -3.288 1.00 1.16 C ATOM 888 CE1 PHE A 70 -7.106 -10.986 -2.326 1.00 2.03 C ATOM 889 CE2 PHE A 70 -7.945 -8.757 -2.537 1.00 1.33 C ATOM 890 CZ PHE A 70 -8.080 -10.045 -2.054 1.00 1.48 C ATOM 0 H PHE A 70 -2.895 -7.441 -2.746 1.00 0.81 H new ATOM 0 HA PHE A 70 -3.315 -10.296 -3.359 1.00 0.82 H new ATOM 0 HB2 PHE A 70 -4.707 -7.912 -4.628 1.00 0.89 H new ATOM 0 HB3 PHE A 70 -4.685 -9.517 -5.331 1.00 0.89 H new ATOM 0 HD1 PHE A 70 -5.241 -11.377 -3.286 1.00 1.81 H new ATOM 0 HD2 PHE A 70 -6.738 -7.407 -3.662 1.00 1.16 H new ATOM 0 HE1 PHE A 70 -7.209 -11.994 -1.951 1.00 2.03 H new ATOM 0 HE2 PHE A 70 -8.705 -8.019 -2.327 1.00 1.33 H new ATOM 0 HZ PHE A 70 -8.945 -10.315 -1.466 1.00 1.48 H new ATOM 900 N PRO A 71 -1.030 -9.719 -4.442 1.00 0.95 N ATOM 901 CA PRO A 71 0.147 -9.605 -5.304 1.00 1.11 C ATOM 902 C PRO A 71 0.001 -10.409 -6.591 1.00 1.11 C ATOM 903 O PRO A 71 -0.809 -11.332 -6.668 1.00 1.14 O ATOM 904 CB PRO A 71 1.266 -10.179 -4.438 1.00 1.18 C ATOM 905 CG PRO A 71 0.588 -11.177 -3.563 1.00 1.13 C ATOM 906 CD PRO A 71 -0.800 -10.645 -3.314 1.00 0.95 C ATOM 0 HA PRO A 71 0.322 -8.580 -5.630 1.00 1.11 H new ATOM 0 HB2 PRO A 71 2.039 -10.646 -5.048 1.00 1.18 H new ATOM 0 HB3 PRO A 71 1.751 -9.400 -3.850 1.00 1.18 H new ATOM 0 HG2 PRO A 71 0.550 -12.154 -4.044 1.00 1.13 H new ATOM 0 HG3 PRO A 71 1.130 -11.305 -2.626 1.00 1.13 H new ATOM 0 HD2 PRO A 71 -1.539 -11.446 -3.297 1.00 0.95 H new ATOM 0 HD3 PRO A 71 -0.865 -10.131 -2.355 1.00 0.95 H new ATOM 914 N PHE A 72 0.792 -10.057 -7.599 1.00 1.22 N ATOM 915 CA PHE A 72 0.751 -10.753 -8.879 1.00 1.28 C ATOM 916 C PHE A 72 1.098 -12.229 -8.702 1.00 1.36 C ATOM 917 O PHE A 72 1.391 -12.678 -7.594 1.00 1.47 O ATOM 918 CB PHE A 72 1.716 -10.098 -9.873 1.00 1.36 C ATOM 919 CG PHE A 72 3.164 -10.414 -9.612 1.00 1.05 C ATOM 920 CD1 PHE A 72 3.842 -9.811 -8.565 1.00 1.38 C ATOM 921 CD2 PHE A 72 3.842 -11.320 -10.412 1.00 1.65 C ATOM 922 CE1 PHE A 72 5.171 -10.105 -8.322 1.00 1.46 C ATOM 923 CE2 PHE A 72 5.170 -11.616 -10.174 1.00 1.83 C ATOM 924 CZ PHE A 72 5.835 -11.008 -9.127 1.00 1.39 C ATOM 0 H PHE A 72 1.468 -9.295 -7.554 1.00 1.22 H new ATOM 0 HA PHE A 72 -0.262 -10.682 -9.274 1.00 1.28 H new ATOM 0 HB2 PHE A 72 1.459 -10.422 -10.882 1.00 1.36 H new ATOM 0 HB3 PHE A 72 1.578 -9.017 -9.841 1.00 1.36 H new ATOM 0 HD1 PHE A 72 3.327 -9.104 -7.932 1.00 1.38 H new ATOM 0 HD2 PHE A 72 3.326 -11.800 -11.231 1.00 1.65 H new ATOM 0 HE1 PHE A 72 5.689 -9.628 -7.503 1.00 1.46 H new ATOM 0 HE2 PHE A 72 5.688 -12.322 -10.806 1.00 1.83 H new ATOM 0 HZ PHE A 72 6.873 -11.239 -8.939 1.00 1.39 H new ATOM 934 N GLU A 73 1.067 -12.979 -9.799 1.00 1.56 N ATOM 935 CA GLU A 73 1.385 -14.401 -9.760 1.00 1.67 C ATOM 936 C GLU A 73 2.844 -14.617 -9.368 1.00 1.31 C ATOM 937 O GLU A 73 3.698 -14.854 -10.221 1.00 1.43 O ATOM 938 CB GLU A 73 1.110 -15.044 -11.121 1.00 2.21 C ATOM 939 CG GLU A 73 1.150 -16.563 -11.095 1.00 2.25 C ATOM 940 CD GLU A 73 2.554 -17.112 -11.265 1.00 2.36 C ATOM 941 OE1 GLU A 73 3.285 -16.613 -12.147 1.00 2.62 O ATOM 942 OE2 GLU A 73 2.923 -18.040 -10.514 1.00 2.89 O ATOM 0 H GLU A 73 0.825 -12.626 -10.725 1.00 1.56 H new ATOM 0 HA GLU A 73 0.750 -14.872 -9.010 1.00 1.67 H new ATOM 0 HB2 GLU A 73 0.131 -14.721 -11.475 1.00 2.21 H new ATOM 0 HB3 GLU A 73 1.845 -14.682 -11.840 1.00 2.21 H new ATOM 0 HG2 GLU A 73 0.737 -16.918 -10.151 1.00 2.25 H new ATOM 0 HG3 GLU A 73 0.513 -16.953 -11.888 1.00 2.25 H new ATOM 949 N CYS A 74 3.121 -14.527 -8.071 1.00 1.48 N ATOM 950 CA CYS A 74 4.475 -14.705 -7.561 1.00 1.68 C ATOM 951 C CYS A 74 4.909 -16.168 -7.648 1.00 1.76 C ATOM 952 O CYS A 74 4.372 -17.023 -6.944 1.00 2.31 O ATOM 953 CB CYS A 74 4.561 -14.225 -6.111 1.00 2.63 C ATOM 954 SG CYS A 74 6.237 -14.225 -5.431 1.00 3.95 S ATOM 0 H CYS A 74 2.424 -14.331 -7.353 1.00 1.48 H new ATOM 0 HA CYS A 74 5.147 -14.110 -8.179 1.00 1.68 H new ATOM 0 HB2 CYS A 74 4.155 -13.215 -6.049 1.00 2.63 H new ATOM 0 HB3 CYS A 74 3.929 -14.861 -5.491 1.00 2.63 H new ATOM 0 HG CYS A 74 6.207 -13.802 -4.202 1.00 3.95 H new ATOM 960 N PRO A 75 5.892 -16.479 -8.514 1.00 1.68 N ATOM 961 CA PRO A 75 6.388 -17.839 -8.683 1.00 2.01 C ATOM 962 C PRO A 75 7.496 -18.182 -7.680 1.00 2.43 C ATOM 963 O PRO A 75 7.208 -18.579 -6.551 1.00 3.08 O ATOM 964 CB PRO A 75 6.904 -17.828 -10.121 1.00 2.13 C ATOM 965 CG PRO A 75 7.339 -16.418 -10.373 1.00 2.21 C ATOM 966 CD PRO A 75 6.594 -15.533 -9.398 1.00 1.89 C ATOM 0 HA PRO A 75 5.626 -18.597 -8.502 1.00 2.01 H new ATOM 0 HB2 PRO A 75 7.733 -18.524 -10.247 1.00 2.13 H new ATOM 0 HB3 PRO A 75 6.125 -18.131 -10.821 1.00 2.13 H new ATOM 0 HG2 PRO A 75 8.416 -16.318 -10.236 1.00 2.21 H new ATOM 0 HG3 PRO A 75 7.120 -16.127 -11.400 1.00 2.21 H new ATOM 0 HD2 PRO A 75 7.277 -14.896 -8.837 1.00 1.89 H new ATOM 0 HD3 PRO A 75 5.894 -14.875 -9.913 1.00 1.89 H new ATOM 974 N ASP A 76 8.760 -18.027 -8.082 1.00 2.55 N ATOM 975 CA ASP A 76 9.880 -18.325 -7.196 1.00 3.28 C ATOM 976 C ASP A 76 10.759 -17.092 -6.988 1.00 3.54 C ATOM 977 O ASP A 76 10.585 -16.352 -6.020 1.00 4.33 O ATOM 978 CB ASP A 76 10.713 -19.479 -7.760 1.00 3.70 C ATOM 979 CG ASP A 76 10.157 -20.836 -7.373 1.00 4.37 C ATOM 980 OD1 ASP A 76 9.494 -20.927 -6.319 1.00 4.93 O ATOM 981 OD2 ASP A 76 10.386 -21.807 -8.123 1.00 4.70 O ATOM 0 H ASP A 76 9.029 -17.699 -9.010 1.00 2.55 H new ATOM 0 HA ASP A 76 9.475 -18.621 -6.228 1.00 3.28 H new ATOM 0 HB2 ASP A 76 10.749 -19.400 -8.847 1.00 3.70 H new ATOM 0 HB3 ASP A 76 11.738 -19.393 -7.400 1.00 3.70 H new ATOM 986 N GLU A 77 11.704 -16.877 -7.901 1.00 3.34 N ATOM 987 CA GLU A 77 12.608 -15.736 -7.813 1.00 4.10 C ATOM 988 C GLU A 77 12.677 -14.988 -9.143 1.00 4.12 C ATOM 989 O GLU A 77 13.686 -15.046 -9.846 1.00 4.72 O ATOM 990 CB GLU A 77 14.007 -16.199 -7.400 1.00 4.59 C ATOM 991 CG GLU A 77 14.544 -17.340 -8.248 1.00 5.37 C ATOM 992 CD GLU A 77 15.935 -17.773 -7.830 1.00 6.17 C ATOM 993 OE1 GLU A 77 16.194 -17.840 -6.610 1.00 6.84 O ATOM 994 OE2 GLU A 77 16.766 -18.048 -8.721 1.00 6.39 O ATOM 0 H GLU A 77 11.862 -17.479 -8.709 1.00 3.34 H new ATOM 0 HA GLU A 77 12.219 -15.055 -7.056 1.00 4.10 H new ATOM 0 HB2 GLU A 77 14.694 -15.355 -7.464 1.00 4.59 H new ATOM 0 HB3 GLU A 77 13.984 -16.512 -6.356 1.00 4.59 H new ATOM 0 HG2 GLU A 77 13.866 -18.191 -8.177 1.00 5.37 H new ATOM 0 HG3 GLU A 77 14.562 -17.033 -9.294 1.00 5.37 H new ATOM 1001 N VAL A 78 11.602 -14.285 -9.481 1.00 3.88 N ATOM 1002 CA VAL A 78 11.550 -13.528 -10.726 1.00 4.32 C ATOM 1003 C VAL A 78 12.065 -12.107 -10.522 1.00 4.59 C ATOM 1004 O VAL A 78 12.181 -11.638 -9.390 1.00 4.66 O ATOM 1005 CB VAL A 78 10.122 -13.475 -11.295 1.00 4.22 C ATOM 1006 CG1 VAL A 78 9.693 -14.851 -11.780 1.00 3.62 C ATOM 1007 CG2 VAL A 78 9.149 -12.942 -10.253 1.00 4.61 C ATOM 0 H VAL A 78 10.757 -14.223 -8.912 1.00 3.88 H new ATOM 0 HA VAL A 78 12.192 -14.045 -11.440 1.00 4.32 H new ATOM 0 HB VAL A 78 10.114 -12.794 -12.146 1.00 4.22 H new ATOM 0 HG11 VAL A 78 8.680 -14.797 -12.180 1.00 3.62 H new ATOM 0 HG12 VAL A 78 10.374 -15.190 -12.561 1.00 3.62 H new ATOM 0 HG13 VAL A 78 9.717 -15.554 -10.947 1.00 3.62 H new ATOM 0 HG21 VAL A 78 8.144 -12.912 -10.675 1.00 4.61 H new ATOM 0 HG22 VAL A 78 9.157 -13.595 -9.380 1.00 4.61 H new ATOM 0 HG23 VAL A 78 9.448 -11.937 -9.957 1.00 4.61 H new ATOM 1011 N GLU A 79 12.384 -11.429 -11.620 1.00 5.02 N ATOM 1012 CA GLU A 79 12.899 -10.066 -11.549 1.00 5.37 C ATOM 1013 C GLU A 79 12.080 -9.111 -12.414 1.00 4.83 C ATOM 1014 O GLU A 79 12.255 -9.054 -13.632 1.00 5.25 O ATOM 1015 CB GLU A 79 14.363 -10.035 -11.988 1.00 6.47 C ATOM 1016 CG GLU A 79 15.302 -10.740 -11.023 1.00 7.05 C ATOM 1017 CD GLU A 79 16.641 -10.041 -10.897 1.00 7.91 C ATOM 1018 OE1 GLU A 79 17.068 -9.395 -11.876 1.00 8.13 O ATOM 1019 OE2 GLU A 79 17.262 -10.140 -9.817 1.00 8.58 O ATOM 0 H GLU A 79 12.295 -11.799 -12.566 1.00 5.02 H new ATOM 0 HA GLU A 79 12.821 -9.735 -10.513 1.00 5.37 H new ATOM 0 HB2 GLU A 79 14.449 -10.499 -12.970 1.00 6.47 H new ATOM 0 HB3 GLU A 79 14.679 -8.998 -12.097 1.00 6.47 H new ATOM 0 HG2 GLU A 79 14.832 -10.797 -10.041 1.00 7.05 H new ATOM 0 HG3 GLU A 79 15.461 -11.764 -11.360 1.00 7.05 H new ATOM 1026 N LEU A 80 11.193 -8.354 -11.773 1.00 4.12 N ATOM 1027 CA LEU A 80 10.356 -7.388 -12.477 1.00 3.69 C ATOM 1028 C LEU A 80 9.745 -6.383 -11.502 1.00 3.19 C ATOM 1029 O LEU A 80 9.459 -6.716 -10.351 1.00 2.62 O ATOM 1030 CB LEU A 80 9.245 -8.094 -13.266 1.00 3.48 C ATOM 1031 CG LEU A 80 8.624 -9.326 -12.598 1.00 3.52 C ATOM 1032 CD1 LEU A 80 9.529 -10.534 -12.762 1.00 4.01 C ATOM 1033 CD2 LEU A 80 8.342 -9.063 -11.126 1.00 3.62 C ATOM 0 H LEU A 80 11.036 -8.392 -10.766 1.00 4.12 H new ATOM 0 HA LEU A 80 10.993 -6.851 -13.179 1.00 3.69 H new ATOM 0 HB2 LEU A 80 8.451 -7.373 -13.462 1.00 3.48 H new ATOM 0 HB3 LEU A 80 9.648 -8.394 -14.233 1.00 3.48 H new ATOM 0 HG LEU A 80 7.675 -9.536 -13.091 1.00 3.52 H new ATOM 0 HD11 LEU A 80 9.072 -11.399 -12.282 1.00 4.01 H new ATOM 0 HD12 LEU A 80 9.671 -10.741 -13.823 1.00 4.01 H new ATOM 0 HD13 LEU A 80 10.495 -10.330 -12.300 1.00 4.01 H new ATOM 0 HD21 LEU A 80 7.902 -9.952 -10.675 1.00 3.62 H new ATOM 0 HD22 LEU A 80 9.274 -8.820 -10.615 1.00 3.62 H new ATOM 0 HD23 LEU A 80 7.648 -8.227 -11.032 1.00 3.62 H new ATOM 1039 N PRO A 81 9.540 -5.133 -11.951 1.00 3.80 N ATOM 1040 CA PRO A 81 8.964 -4.077 -11.114 1.00 3.74 C ATOM 1041 C PRO A 81 7.449 -4.194 -10.991 1.00 2.98 C ATOM 1042 O PRO A 81 6.745 -4.345 -11.990 1.00 3.21 O ATOM 1043 CB PRO A 81 9.340 -2.802 -11.865 1.00 4.99 C ATOM 1044 CG PRO A 81 9.393 -3.214 -13.297 1.00 5.53 C ATOM 1045 CD PRO A 81 9.859 -4.648 -13.308 1.00 4.94 C ATOM 0 HA PRO A 81 9.334 -4.116 -10.089 1.00 3.74 H new ATOM 0 HB2 PRO A 81 8.603 -2.015 -11.705 1.00 4.99 H new ATOM 0 HB3 PRO A 81 10.300 -2.412 -11.528 1.00 4.99 H new ATOM 0 HG2 PRO A 81 8.413 -3.120 -13.765 1.00 5.53 H new ATOM 0 HG3 PRO A 81 10.077 -2.579 -13.859 1.00 5.53 H new ATOM 0 HD2 PRO A 81 9.344 -5.230 -14.072 1.00 4.94 H new ATOM 0 HD3 PRO A 81 10.926 -4.720 -13.518 1.00 4.94 H new ATOM 1053 N LEU A 82 6.949 -4.125 -9.760 1.00 2.52 N ATOM 1054 CA LEU A 82 5.513 -4.226 -9.509 1.00 1.87 C ATOM 1055 C LEU A 82 5.216 -4.223 -8.015 1.00 1.58 C ATOM 1056 O LEU A 82 6.071 -4.565 -7.199 1.00 2.06 O ATOM 1057 CB LEU A 82 4.948 -5.501 -10.136 1.00 1.92 C ATOM 1058 CG LEU A 82 5.847 -6.730 -10.006 1.00 1.91 C ATOM 1059 CD1 LEU A 82 6.181 -6.998 -8.547 1.00 2.25 C ATOM 1060 CD2 LEU A 82 5.185 -7.943 -10.636 1.00 2.10 C ATOM 0 H LEU A 82 7.516 -4.000 -8.921 1.00 2.52 H new ATOM 0 HA LEU A 82 5.037 -3.357 -9.963 1.00 1.87 H new ATOM 0 HB2 LEU A 82 3.986 -5.721 -9.674 1.00 1.92 H new ATOM 0 HB3 LEU A 82 4.759 -5.316 -11.193 1.00 1.92 H new ATOM 0 HG LEU A 82 6.778 -6.532 -10.538 1.00 1.91 H new ATOM 0 HD11 LEU A 82 6.822 -7.877 -8.476 1.00 2.25 H new ATOM 0 HD12 LEU A 82 6.700 -6.136 -8.128 1.00 2.25 H new ATOM 0 HD13 LEU A 82 5.261 -7.174 -7.989 1.00 2.25 H new ATOM 0 HD21 LEU A 82 5.839 -8.809 -10.534 1.00 2.10 H new ATOM 0 HD22 LEU A 82 4.238 -8.143 -10.134 1.00 2.10 H new ATOM 0 HD23 LEU A 82 5.001 -7.749 -11.693 1.00 2.10 H new ATOM 1066 N LEU A 83 3.994 -3.840 -7.667 1.00 1.15 N ATOM 1067 CA LEU A 83 3.575 -3.801 -6.272 1.00 1.18 C ATOM 1068 C LEU A 83 2.289 -4.602 -6.060 1.00 1.05 C ATOM 1069 O LEU A 83 2.033 -5.099 -4.963 1.00 1.39 O ATOM 1070 CB LEU A 83 3.392 -2.354 -5.817 1.00 1.20 C ATOM 1071 CG LEU A 83 4.675 -1.672 -5.342 1.00 2.03 C ATOM 1072 CD1 LEU A 83 5.282 -2.434 -4.174 1.00 3.13 C ATOM 1073 CD2 LEU A 83 5.674 -1.569 -6.486 1.00 2.48 C ATOM 0 H LEU A 83 3.276 -3.552 -8.332 1.00 1.15 H new ATOM 0 HA LEU A 83 4.356 -4.262 -5.667 1.00 1.18 H new ATOM 0 HB2 LEU A 83 2.973 -1.777 -6.642 1.00 1.20 H new ATOM 0 HB3 LEU A 83 2.662 -2.330 -5.008 1.00 1.20 H new ATOM 0 HG LEU A 83 4.428 -0.665 -5.005 1.00 2.03 H new ATOM 0 HD11 LEU A 83 6.195 -1.935 -3.849 1.00 3.13 H new ATOM 0 HD12 LEU A 83 4.570 -2.463 -3.349 1.00 3.13 H new ATOM 0 HD13 LEU A 83 5.517 -3.452 -4.486 1.00 3.13 H new ATOM 0 HD21 LEU A 83 6.583 -1.081 -6.133 1.00 2.48 H new ATOM 0 HD22 LEU A 83 5.916 -2.568 -6.849 1.00 2.48 H new ATOM 0 HD23 LEU A 83 5.240 -0.984 -7.297 1.00 2.48 H new ATOM 1079 N GLY A 84 1.491 -4.737 -7.118 1.00 0.86 N ATOM 1080 CA GLY A 84 0.252 -5.496 -7.026 1.00 1.17 C ATOM 1081 C GLY A 84 -0.860 -4.749 -6.312 1.00 1.02 C ATOM 1082 O GLY A 84 -0.799 -3.527 -6.152 1.00 0.95 O ATOM 0 H GLY A 84 1.679 -4.335 -8.036 1.00 0.86 H new ATOM 0 HA2 GLY A 84 -0.082 -5.756 -8.031 1.00 1.17 H new ATOM 0 HA3 GLY A 84 0.446 -6.432 -6.502 1.00 1.17 H new ATOM 1086 N ASP A 85 -1.884 -5.490 -5.882 1.00 1.00 N ATOM 1087 CA ASP A 85 -3.020 -4.897 -5.182 1.00 0.88 C ATOM 1088 C ASP A 85 -2.880 -5.072 -3.674 1.00 0.82 C ATOM 1089 O ASP A 85 -2.155 -5.949 -3.207 1.00 0.93 O ATOM 1090 CB ASP A 85 -4.332 -5.523 -5.662 1.00 0.86 C ATOM 1091 CG ASP A 85 -5.357 -4.480 -6.064 1.00 1.49 C ATOM 1092 OD1 ASP A 85 -5.601 -3.549 -5.268 1.00 2.17 O ATOM 1093 OD2 ASP A 85 -5.916 -4.595 -7.175 1.00 2.12 O ATOM 0 H ASP A 85 -1.947 -6.500 -6.007 1.00 1.00 H new ATOM 0 HA ASP A 85 -3.035 -3.831 -5.407 1.00 0.88 H new ATOM 0 HB2 ASP A 85 -4.130 -6.176 -6.511 1.00 0.86 H new ATOM 0 HB3 ASP A 85 -4.745 -6.148 -4.870 1.00 0.86 H new ATOM 1098 N LEU A 86 -3.575 -4.228 -2.914 1.00 0.73 N ATOM 1099 CA LEU A 86 -3.516 -4.292 -1.458 1.00 0.69 C ATOM 1100 C LEU A 86 -4.906 -4.181 -0.834 1.00 0.60 C ATOM 1101 O LEU A 86 -5.778 -3.481 -1.346 1.00 0.71 O ATOM 1102 CB LEU A 86 -2.607 -3.185 -0.917 1.00 0.82 C ATOM 1103 CG LEU A 86 -1.395 -3.675 -0.120 1.00 0.94 C ATOM 1104 CD1 LEU A 86 -0.166 -2.835 -0.437 1.00 1.41 C ATOM 1105 CD2 LEU A 86 -1.692 -3.644 1.371 1.00 1.10 C ATOM 0 H LEU A 86 -4.182 -3.496 -3.281 1.00 0.73 H new ATOM 0 HA LEU A 86 -3.103 -5.263 -1.185 1.00 0.69 H new ATOM 0 HB2 LEU A 86 -2.253 -2.584 -1.755 1.00 0.82 H new ATOM 0 HB3 LEU A 86 -3.200 -2.527 -0.281 1.00 0.82 H new ATOM 0 HG LEU A 86 -1.188 -4.705 -0.411 1.00 0.94 H new ATOM 0 HD11 LEU A 86 0.683 -3.201 0.140 1.00 1.41 H new ATOM 0 HD12 LEU A 86 0.060 -2.908 -1.501 1.00 1.41 H new ATOM 0 HD13 LEU A 86 -0.360 -1.794 -0.178 1.00 1.41 H new ATOM 0 HD21 LEU A 86 -0.820 -3.995 1.923 1.00 1.10 H new ATOM 0 HD22 LEU A 86 -1.926 -2.624 1.674 1.00 1.10 H new ATOM 0 HD23 LEU A 86 -2.543 -4.291 1.586 1.00 1.10 H new ATOM 1111 N VAL A 87 -5.092 -4.875 0.285 1.00 0.56 N ATOM 1112 CA VAL A 87 -6.359 -4.864 1.006 1.00 0.59 C ATOM 1113 C VAL A 87 -6.116 -4.605 2.490 1.00 0.66 C ATOM 1114 O VAL A 87 -5.882 -5.537 3.259 1.00 0.94 O ATOM 1115 CB VAL A 87 -7.118 -6.196 0.837 1.00 0.63 C ATOM 1116 CG1 VAL A 87 -8.429 -6.172 1.607 1.00 1.15 C ATOM 1117 CG2 VAL A 87 -7.362 -6.487 -0.637 1.00 1.15 C ATOM 0 H VAL A 87 -4.373 -5.457 0.715 1.00 0.56 H new ATOM 0 HA VAL A 87 -6.970 -4.065 0.586 1.00 0.59 H new ATOM 0 HB VAL A 87 -6.501 -6.996 1.247 1.00 0.63 H new ATOM 0 HG11 VAL A 87 -8.947 -7.122 1.473 1.00 1.15 H new ATOM 0 HG12 VAL A 87 -8.226 -6.016 2.666 1.00 1.15 H new ATOM 0 HG13 VAL A 87 -9.055 -5.361 1.234 1.00 1.15 H new ATOM 0 HG21 VAL A 87 -7.899 -7.430 -0.738 1.00 1.15 H new ATOM 0 HG22 VAL A 87 -7.956 -5.684 -1.073 1.00 1.15 H new ATOM 0 HG23 VAL A 87 -6.407 -6.556 -1.157 1.00 1.15 H new ATOM 1121 N ILE A 88 -6.150 -3.336 2.881 1.00 0.57 N ATOM 1122 CA ILE A 88 -5.906 -2.963 4.270 1.00 0.66 C ATOM 1123 C ILE A 88 -7.184 -2.535 4.985 1.00 0.74 C ATOM 1124 O ILE A 88 -8.174 -2.171 4.352 1.00 0.96 O ATOM 1125 CB ILE A 88 -4.874 -1.820 4.356 1.00 0.67 C ATOM 1126 CG1 ILE A 88 -3.634 -2.165 3.528 1.00 1.15 C ATOM 1127 CG2 ILE A 88 -4.499 -1.543 5.804 1.00 1.30 C ATOM 1128 CD1 ILE A 88 -3.214 -1.063 2.581 1.00 1.94 C ATOM 0 H ILE A 88 -6.343 -2.551 2.259 1.00 0.57 H new ATOM 0 HA ILE A 88 -5.516 -3.852 4.766 1.00 0.66 H new ATOM 0 HB ILE A 88 -5.321 -0.915 3.946 1.00 0.67 H new ATOM 0 HG12 ILE A 88 -2.807 -2.388 4.202 1.00 1.15 H new ATOM 0 HG13 ILE A 88 -3.831 -3.071 2.954 1.00 1.15 H new ATOM 0 HG21 ILE A 88 -3.770 -0.734 5.843 1.00 1.30 H new ATOM 0 HG22 ILE A 88 -5.390 -1.256 6.362 1.00 1.30 H new ATOM 0 HG23 ILE A 88 -4.068 -2.441 6.246 1.00 1.30 H new ATOM 0 HD11 ILE A 88 -2.329 -1.377 2.027 1.00 1.94 H new ATOM 0 HD12 ILE A 88 -4.024 -0.855 1.882 1.00 1.94 H new ATOM 0 HD13 ILE A 88 -2.985 -0.162 3.150 1.00 1.94 H new ATOM 1132 N CYS A 89 -7.147 -2.579 6.314 1.00 0.79 N ATOM 1133 CA CYS A 89 -8.290 -2.189 7.129 1.00 0.89 C ATOM 1134 C CYS A 89 -7.998 -0.883 7.860 1.00 0.78 C ATOM 1135 O CYS A 89 -7.308 -0.870 8.878 1.00 0.73 O ATOM 1136 CB CYS A 89 -8.625 -3.290 8.137 1.00 1.12 C ATOM 1137 SG CYS A 89 -10.330 -3.247 8.737 1.00 1.32 S ATOM 0 H CYS A 89 -6.334 -2.882 6.850 1.00 0.79 H new ATOM 0 HA CYS A 89 -9.148 -2.041 6.473 1.00 0.89 H new ATOM 0 HB2 CYS A 89 -8.438 -4.260 7.675 1.00 1.12 H new ATOM 0 HB3 CYS A 89 -7.949 -3.206 8.988 1.00 1.12 H new ATOM 0 HG CYS A 89 -10.467 -4.090 9.717 1.00 1.32 H new ATOM 1143 N ARG A 90 -8.520 0.216 7.325 1.00 0.91 N ATOM 1144 CA ARG A 90 -8.309 1.537 7.912 1.00 0.91 C ATOM 1145 C ARG A 90 -8.551 1.531 9.421 1.00 0.81 C ATOM 1146 O ARG A 90 -7.968 2.326 10.154 1.00 0.99 O ATOM 1147 CB ARG A 90 -9.227 2.564 7.247 1.00 1.14 C ATOM 1148 CG ARG A 90 -10.700 2.190 7.300 1.00 2.09 C ATOM 1149 CD ARG A 90 -11.385 2.795 8.515 1.00 2.56 C ATOM 1150 NE ARG A 90 -12.774 2.359 8.634 1.00 3.28 N ATOM 1151 CZ ARG A 90 -13.502 2.490 9.741 1.00 4.16 C ATOM 1152 NH1 ARG A 90 -12.975 3.045 10.827 1.00 4.50 N ATOM 1153 NH2 ARG A 90 -14.758 2.067 9.763 1.00 5.12 N ATOM 0 H ARG A 90 -9.095 0.219 6.482 1.00 0.91 H new ATOM 0 HA ARG A 90 -7.268 1.810 7.738 1.00 0.91 H new ATOM 0 HB2 ARG A 90 -9.089 3.530 7.732 1.00 1.14 H new ATOM 0 HB3 ARG A 90 -8.929 2.685 6.206 1.00 1.14 H new ATOM 0 HG2 ARG A 90 -11.197 2.533 6.392 1.00 2.09 H new ATOM 0 HG3 ARG A 90 -10.800 1.105 7.327 1.00 2.09 H new ATOM 0 HD2 ARG A 90 -10.839 2.515 9.416 1.00 2.56 H new ATOM 0 HD3 ARG A 90 -11.351 3.882 8.446 1.00 2.56 H new ATOM 0 HE ARG A 90 -13.213 1.928 7.820 1.00 3.28 H new ATOM 0 HH11 ARG A 90 -12.009 3.373 10.815 1.00 4.50 H new ATOM 0 HH12 ARG A 90 -13.536 3.143 11.673 1.00 4.50 H new ATOM 0 HH21 ARG A 90 -15.167 1.641 8.932 1.00 5.12 H new ATOM 0 HH22 ARG A 90 -15.315 2.168 10.611 1.00 5.12 H new ATOM 1167 N GLN A 91 -9.423 0.638 9.877 1.00 0.66 N ATOM 1168 CA GLN A 91 -9.751 0.541 11.298 1.00 0.63 C ATOM 1169 C GLN A 91 -8.497 0.464 12.172 1.00 0.58 C ATOM 1170 O GLN A 91 -8.437 1.084 13.236 1.00 0.58 O ATOM 1171 CB GLN A 91 -10.644 -0.679 11.551 1.00 0.69 C ATOM 1172 CG GLN A 91 -12.056 -0.316 11.984 1.00 0.83 C ATOM 1173 CD GLN A 91 -13.117 -1.074 11.209 1.00 0.80 C ATOM 1174 OE1 GLN A 91 -14.141 -0.510 10.824 1.00 1.35 O ATOM 1175 NE2 GLN A 91 -12.877 -2.359 10.977 1.00 1.12 N ATOM 0 H GLN A 91 -9.916 -0.030 9.284 1.00 0.66 H new ATOM 0 HA GLN A 91 -10.288 1.449 11.573 1.00 0.63 H new ATOM 0 HB2 GLN A 91 -10.694 -1.278 10.642 1.00 0.69 H new ATOM 0 HB3 GLN A 91 -10.186 -1.302 12.319 1.00 0.69 H new ATOM 0 HG2 GLN A 91 -12.171 -0.524 13.048 1.00 0.83 H new ATOM 0 HG3 GLN A 91 -12.209 0.755 11.850 1.00 0.83 H new ATOM 0 HE21 GLN A 91 -12.014 -2.786 11.315 1.00 1.12 H new ATOM 0 HE22 GLN A 91 -13.555 -2.919 10.461 1.00 1.12 H new ATOM 1182 N VAL A 92 -7.503 -0.301 11.732 1.00 0.58 N ATOM 1183 CA VAL A 92 -6.267 -0.454 12.503 1.00 0.60 C ATOM 1184 C VAL A 92 -5.301 0.706 12.269 1.00 0.55 C ATOM 1185 O VAL A 92 -4.872 1.366 13.219 1.00 0.65 O ATOM 1186 CB VAL A 92 -5.541 -1.787 12.199 1.00 0.66 C ATOM 1187 CG1 VAL A 92 -5.999 -2.870 13.164 1.00 1.47 C ATOM 1188 CG2 VAL A 92 -5.755 -2.231 10.757 1.00 1.68 C ATOM 0 H VAL A 92 -7.525 -0.821 10.855 1.00 0.58 H new ATOM 0 HA VAL A 92 -6.574 -0.457 13.549 1.00 0.60 H new ATOM 0 HB VAL A 92 -4.472 -1.620 12.335 1.00 0.66 H new ATOM 0 HG11 VAL A 92 -5.480 -3.802 12.938 1.00 1.47 H new ATOM 0 HG12 VAL A 92 -5.772 -2.567 14.186 1.00 1.47 H new ATOM 0 HG13 VAL A 92 -7.074 -3.019 13.060 1.00 1.47 H new ATOM 0 HG21 VAL A 92 -5.230 -3.170 10.584 1.00 1.68 H new ATOM 0 HG22 VAL A 92 -6.820 -2.372 10.574 1.00 1.68 H new ATOM 0 HG23 VAL A 92 -5.368 -1.469 10.080 1.00 1.68 H new ATOM 1192 N VAL A 93 -4.953 0.950 11.011 1.00 0.48 N ATOM 1193 CA VAL A 93 -4.029 2.028 10.678 1.00 0.49 C ATOM 1194 C VAL A 93 -4.571 3.374 11.149 1.00 0.54 C ATOM 1195 O VAL A 93 -3.836 4.187 11.710 1.00 0.61 O ATOM 1196 CB VAL A 93 -3.719 2.072 9.162 1.00 0.51 C ATOM 1197 CG1 VAL A 93 -3.530 0.663 8.618 1.00 0.55 C ATOM 1198 CG2 VAL A 93 -4.809 2.805 8.393 1.00 0.69 C ATOM 0 H VAL A 93 -5.294 0.420 10.209 1.00 0.48 H new ATOM 0 HA VAL A 93 -3.095 1.825 11.202 1.00 0.49 H new ATOM 0 HB VAL A 93 -2.790 2.626 9.025 1.00 0.51 H new ATOM 0 HG11 VAL A 93 -3.313 0.711 7.551 1.00 0.55 H new ATOM 0 HG12 VAL A 93 -2.701 0.181 9.136 1.00 0.55 H new ATOM 0 HG13 VAL A 93 -4.441 0.086 8.777 1.00 0.55 H new ATOM 0 HG21 VAL A 93 -4.560 2.818 7.332 1.00 0.69 H new ATOM 0 HG22 VAL A 93 -5.761 2.295 8.536 1.00 0.69 H new ATOM 0 HG23 VAL A 93 -4.887 3.829 8.759 1.00 0.69 H new ATOM 1202 N GLU A 94 -5.866 3.596 10.941 1.00 0.59 N ATOM 1203 CA GLU A 94 -6.497 4.836 11.372 1.00 0.69 C ATOM 1204 C GLU A 94 -6.437 4.936 12.889 1.00 0.67 C ATOM 1205 O GLU A 94 -6.260 6.019 13.447 1.00 0.75 O ATOM 1206 CB GLU A 94 -7.950 4.901 10.896 1.00 0.78 C ATOM 1207 CG GLU A 94 -8.622 6.236 11.176 1.00 1.31 C ATOM 1208 CD GLU A 94 -8.703 7.116 9.946 1.00 1.58 C ATOM 1209 OE1 GLU A 94 -8.832 6.569 8.831 1.00 1.98 O ATOM 1210 OE2 GLU A 94 -8.637 8.355 10.097 1.00 2.25 O ATOM 0 H GLU A 94 -6.494 2.937 10.480 1.00 0.59 H new ATOM 0 HA GLU A 94 -5.959 5.675 10.931 1.00 0.69 H new ATOM 0 HB2 GLU A 94 -7.982 4.705 9.824 1.00 0.78 H new ATOM 0 HB3 GLU A 94 -8.519 4.108 11.382 1.00 0.78 H new ATOM 0 HG2 GLU A 94 -9.627 6.059 11.559 1.00 1.31 H new ATOM 0 HG3 GLU A 94 -8.071 6.759 11.957 1.00 1.31 H new ATOM 1217 N ARG A 95 -6.566 3.788 13.550 1.00 0.59 N ATOM 1218 CA ARG A 95 -6.504 3.737 15.003 1.00 0.61 C ATOM 1219 C ARG A 95 -5.106 4.118 15.472 1.00 0.70 C ATOM 1220 O ARG A 95 -4.940 4.977 16.339 1.00 0.77 O ATOM 1221 CB ARG A 95 -6.866 2.337 15.505 1.00 0.60 C ATOM 1222 CG ARG A 95 -8.257 2.251 16.113 1.00 0.87 C ATOM 1223 CD ARG A 95 -8.364 1.097 17.097 1.00 1.58 C ATOM 1224 NE ARG A 95 -9.701 0.509 17.107 1.00 2.18 N ATOM 1225 CZ ARG A 95 -9.972 -0.708 17.575 1.00 2.92 C ATOM 1226 NH1 ARG A 95 -9.003 -1.466 18.074 1.00 3.31 N ATOM 1227 NH2 ARG A 95 -11.216 -1.167 17.545 1.00 3.75 N ATOM 0 H ARG A 95 -6.714 2.884 13.101 1.00 0.59 H new ATOM 0 HA ARG A 95 -7.224 4.446 15.412 1.00 0.61 H new ATOM 0 HB2 ARG A 95 -6.797 1.633 14.676 1.00 0.60 H new ATOM 0 HB3 ARG A 95 -6.133 2.026 16.249 1.00 0.60 H new ATOM 0 HG2 ARG A 95 -8.492 3.187 16.621 1.00 0.87 H new ATOM 0 HG3 ARG A 95 -8.995 2.124 15.320 1.00 0.87 H new ATOM 0 HD2 ARG A 95 -7.633 0.331 16.838 1.00 1.58 H new ATOM 0 HD3 ARG A 95 -8.116 1.450 18.098 1.00 1.58 H new ATOM 0 HE ARG A 95 -10.472 1.063 16.734 1.00 2.18 H new ATOM 0 HH11 ARG A 95 -8.045 -1.117 18.100 1.00 3.31 H new ATOM 0 HH12 ARG A 95 -9.217 -2.397 18.431 1.00 3.31 H new ATOM 0 HH21 ARG A 95 -11.964 -0.588 17.164 1.00 3.75 H new ATOM 0 HH22 ARG A 95 -11.424 -2.099 17.903 1.00 3.75 H new ATOM 1241 N GLU A 96 -4.100 3.481 14.877 1.00 0.73 N ATOM 1242 CA GLU A 96 -2.712 3.763 15.219 1.00 0.86 C ATOM 1243 C GLU A 96 -2.377 5.215 14.902 1.00 0.90 C ATOM 1244 O GLU A 96 -1.678 5.884 15.664 1.00 1.05 O ATOM 1245 CB GLU A 96 -1.773 2.828 14.455 1.00 0.93 C ATOM 1246 CG GLU A 96 -0.323 2.928 14.900 1.00 1.34 C ATOM 1247 CD GLU A 96 0.648 2.910 13.734 1.00 1.68 C ATOM 1248 OE1 GLU A 96 0.326 2.284 12.703 1.00 2.50 O ATOM 1249 OE2 GLU A 96 1.729 3.525 13.854 1.00 1.89 O ATOM 0 H GLU A 96 -4.222 2.768 14.158 1.00 0.73 H new ATOM 0 HA GLU A 96 -2.577 3.595 16.287 1.00 0.86 H new ATOM 0 HB2 GLU A 96 -2.114 1.800 14.582 1.00 0.93 H new ATOM 0 HB3 GLU A 96 -1.834 3.055 13.391 1.00 0.93 H new ATOM 0 HG2 GLU A 96 -0.184 3.847 15.469 1.00 1.34 H new ATOM 0 HG3 GLU A 96 -0.095 2.100 15.571 1.00 1.34 H new ATOM 1256 N ALA A 97 -2.890 5.699 13.775 1.00 0.83 N ATOM 1257 CA ALA A 97 -2.658 7.075 13.358 1.00 0.92 C ATOM 1258 C ALA A 97 -3.336 8.046 14.316 1.00 1.00 C ATOM 1259 O ALA A 97 -2.760 9.065 14.697 1.00 1.19 O ATOM 1260 CB ALA A 97 -3.163 7.291 11.940 1.00 0.87 C ATOM 0 H ALA A 97 -3.470 5.157 13.134 1.00 0.83 H new ATOM 0 HA ALA A 97 -1.585 7.264 13.378 1.00 0.92 H new ATOM 0 HB1 ALA A 97 -2.982 8.324 11.643 1.00 0.87 H new ATOM 0 HB2 ALA A 97 -2.637 6.621 11.260 1.00 0.87 H new ATOM 0 HB3 ALA A 97 -4.232 7.083 11.899 1.00 0.87 H new ATOM 1266 N SER A 98 -4.563 7.716 14.707 1.00 0.92 N ATOM 1267 CA SER A 98 -5.322 8.552 15.628 1.00 1.01 C ATOM 1268 C SER A 98 -4.690 8.529 17.015 1.00 1.07 C ATOM 1269 O SER A 98 -4.716 9.524 17.738 1.00 1.18 O ATOM 1270 CB SER A 98 -6.773 8.076 15.708 1.00 0.99 C ATOM 1271 OG SER A 98 -6.868 6.835 16.384 1.00 1.50 O ATOM 0 H SER A 98 -5.052 6.875 14.400 1.00 0.92 H new ATOM 0 HA SER A 98 -5.307 9.575 15.253 1.00 1.01 H new ATOM 0 HB2 SER A 98 -7.375 8.822 16.226 1.00 0.99 H new ATOM 0 HB3 SER A 98 -7.182 7.978 14.703 1.00 0.99 H new ATOM 0 HG SER A 98 -6.105 6.270 16.140 1.00 1.50 H new ATOM 1277 N GLU A 99 -4.116 7.385 17.376 1.00 1.04 N ATOM 1278 CA GLU A 99 -3.470 7.231 18.673 1.00 1.13 C ATOM 1279 C GLU A 99 -2.085 7.874 18.665 1.00 1.27 C ATOM 1280 O GLU A 99 -1.609 8.361 19.691 1.00 1.45 O ATOM 1281 CB GLU A 99 -3.359 5.749 19.041 1.00 1.07 C ATOM 1282 CG GLU A 99 -3.975 5.410 20.389 1.00 1.76 C ATOM 1283 CD GLU A 99 -5.481 5.578 20.401 1.00 2.27 C ATOM 1284 OE1 GLU A 99 -6.000 6.348 19.565 1.00 2.68 O ATOM 1285 OE2 GLU A 99 -6.143 4.940 21.247 1.00 2.88 O ATOM 0 H GLU A 99 -4.086 6.552 16.788 1.00 1.04 H new ATOM 0 HA GLU A 99 -4.082 7.735 19.421 1.00 1.13 H new ATOM 0 HB2 GLU A 99 -3.846 5.154 18.268 1.00 1.07 H new ATOM 0 HB3 GLU A 99 -2.307 5.463 19.049 1.00 1.07 H new ATOM 0 HG2 GLU A 99 -3.726 4.381 20.650 1.00 1.76 H new ATOM 0 HG3 GLU A 99 -3.536 6.048 21.156 1.00 1.76 H new ATOM 1292 N GLN A 100 -1.446 7.872 17.499 1.00 1.22 N ATOM 1293 CA GLN A 100 -0.117 8.456 17.354 1.00 1.37 C ATOM 1294 C GLN A 100 -0.190 9.981 17.305 1.00 1.48 C ATOM 1295 O GLN A 100 0.800 10.667 17.564 1.00 1.63 O ATOM 1296 CB GLN A 100 0.561 7.924 16.090 1.00 1.33 C ATOM 1297 CG GLN A 100 1.514 6.768 16.349 1.00 1.96 C ATOM 1298 CD GLN A 100 2.831 6.918 15.612 1.00 2.38 C ATOM 1299 OE1 GLN A 100 3.844 7.299 16.198 1.00 3.19 O ATOM 1300 NE2 GLN A 100 2.820 6.620 14.317 1.00 2.35 N ATOM 0 H GLN A 100 -1.827 7.473 16.641 1.00 1.22 H new ATOM 0 HA GLN A 100 0.474 8.169 18.224 1.00 1.37 H new ATOM 0 HB2 GLN A 100 -0.205 7.601 15.386 1.00 1.33 H new ATOM 0 HB3 GLN A 100 1.110 8.736 15.613 1.00 1.33 H new ATOM 0 HG2 GLN A 100 1.708 6.695 17.419 1.00 1.96 H new ATOM 0 HG3 GLN A 100 1.038 5.835 16.047 1.00 1.96 H new ATOM 0 HE21 GLN A 100 1.956 6.308 13.873 1.00 2.35 H new ATOM 0 HE22 GLN A 100 3.675 6.703 13.767 1.00 2.35 H new ATOM 1307 N GLU A 101 -1.366 10.507 16.970 1.00 1.44 N ATOM 1308 CA GLU A 101 -1.564 11.950 16.888 1.00 1.59 C ATOM 1309 C GLU A 101 -0.699 12.556 15.786 1.00 1.58 C ATOM 1310 O GLU A 101 -0.211 13.679 15.912 1.00 1.81 O ATOM 1311 CB GLU A 101 -1.244 12.610 18.231 1.00 1.80 C ATOM 1312 CG GLU A 101 -2.462 12.804 19.119 1.00 2.02 C ATOM 1313 CD GLU A 101 -2.132 12.689 20.594 1.00 1.97 C ATOM 1314 OE1 GLU A 101 -1.378 11.764 20.963 1.00 2.68 O ATOM 1315 OE2 GLU A 101 -2.628 13.523 21.380 1.00 2.04 O ATOM 0 H GLU A 101 -2.195 9.955 16.751 1.00 1.44 H new ATOM 0 HA GLU A 101 -2.610 12.135 16.645 1.00 1.59 H new ATOM 0 HB2 GLU A 101 -0.512 12.000 18.761 1.00 1.80 H new ATOM 0 HB3 GLU A 101 -0.780 13.579 18.049 1.00 1.80 H new ATOM 0 HG2 GLU A 101 -2.897 13.784 18.923 1.00 2.02 H new ATOM 0 HG3 GLU A 101 -3.217 12.062 18.861 1.00 2.02 H new ATOM 1322 N LYS A 102 -0.514 11.804 14.706 1.00 1.36 N ATOM 1323 CA LYS A 102 0.292 12.267 13.581 1.00 1.36 C ATOM 1324 C LYS A 102 -0.557 12.384 12.316 1.00 1.24 C ATOM 1325 O LYS A 102 -1.569 11.697 12.173 1.00 1.16 O ATOM 1326 CB LYS A 102 1.463 11.312 13.339 1.00 1.37 C ATOM 1327 CG LYS A 102 2.774 11.795 13.937 1.00 1.77 C ATOM 1328 CD LYS A 102 3.567 10.648 14.543 1.00 2.28 C ATOM 1329 CE LYS A 102 4.455 11.126 15.680 1.00 2.19 C ATOM 1330 NZ LYS A 102 5.695 10.309 15.798 1.00 2.36 N ATOM 0 H LYS A 102 -0.911 10.872 14.586 1.00 1.36 H new ATOM 0 HA LYS A 102 0.683 13.254 13.827 1.00 1.36 H new ATOM 0 HB2 LYS A 102 1.219 10.337 13.760 1.00 1.37 H new ATOM 0 HB3 LYS A 102 1.592 11.173 12.266 1.00 1.37 H new ATOM 0 HG2 LYS A 102 3.369 12.282 13.165 1.00 1.77 H new ATOM 0 HG3 LYS A 102 2.572 12.543 14.703 1.00 1.77 H new ATOM 0 HD2 LYS A 102 2.882 9.885 14.911 1.00 2.28 H new ATOM 0 HD3 LYS A 102 4.180 10.181 13.772 1.00 2.28 H new ATOM 0 HE2 LYS A 102 4.722 12.170 15.517 1.00 2.19 H new ATOM 0 HE3 LYS A 102 3.900 11.081 16.617 1.00 2.19 H new ATOM 0 HZ1 LYS A 102 6.273 10.667 16.585 1.00 2.36 H new ATOM 0 HZ2 LYS A 102 5.441 9.317 15.979 1.00 2.36 H new ATOM 0 HZ3 LYS A 102 6.238 10.372 14.913 1.00 2.36 H new ATOM 1344 N PRO A 103 -0.154 13.259 11.380 1.00 1.27 N ATOM 1345 CA PRO A 103 -0.882 13.462 10.123 1.00 1.21 C ATOM 1346 C PRO A 103 -1.147 12.151 9.390 1.00 1.01 C ATOM 1347 O PRO A 103 -0.224 11.383 9.118 1.00 0.97 O ATOM 1348 CB PRO A 103 0.058 14.351 9.306 1.00 1.28 C ATOM 1349 CG PRO A 103 0.875 15.072 10.321 1.00 1.36 C ATOM 1350 CD PRO A 103 1.043 14.118 11.471 1.00 1.42 C ATOM 0 HA PRO A 103 -1.866 13.900 10.288 1.00 1.21 H new ATOM 0 HB2 PRO A 103 0.686 13.758 8.641 1.00 1.28 H new ATOM 0 HB3 PRO A 103 -0.500 15.047 8.680 1.00 1.28 H new ATOM 0 HG2 PRO A 103 1.842 15.361 9.910 1.00 1.36 H new ATOM 0 HG3 PRO A 103 0.379 15.988 10.643 1.00 1.36 H new ATOM 0 HD2 PRO A 103 1.962 13.538 11.381 1.00 1.42 H new ATOM 0 HD3 PRO A 103 1.089 14.643 12.425 1.00 1.42 H new ATOM 1358 N LEU A 104 -2.413 11.902 9.074 1.00 1.00 N ATOM 1359 CA LEU A 104 -2.800 10.683 8.373 1.00 0.93 C ATOM 1360 C LEU A 104 -2.107 10.588 7.016 1.00 0.85 C ATOM 1361 O LEU A 104 -1.963 9.499 6.460 1.00 0.78 O ATOM 1362 CB LEU A 104 -4.319 10.632 8.195 1.00 1.11 C ATOM 1363 CG LEU A 104 -5.070 9.856 9.278 1.00 1.03 C ATOM 1364 CD1 LEU A 104 -6.572 9.930 9.047 1.00 1.40 C ATOM 1365 CD2 LEU A 104 -4.606 8.407 9.314 1.00 1.51 C ATOM 0 H LEU A 104 -3.189 12.528 9.292 1.00 1.00 H new ATOM 0 HA LEU A 104 -2.486 9.831 8.976 1.00 0.93 H new ATOM 0 HB2 LEU A 104 -4.701 11.652 8.169 1.00 1.11 H new ATOM 0 HB3 LEU A 104 -4.542 10.183 7.227 1.00 1.11 H new ATOM 0 HG LEU A 104 -4.849 10.313 10.243 1.00 1.03 H new ATOM 0 HD11 LEU A 104 -7.088 9.372 9.828 1.00 1.40 H new ATOM 0 HD12 LEU A 104 -6.893 10.971 9.073 1.00 1.40 H new ATOM 0 HD13 LEU A 104 -6.812 9.500 8.075 1.00 1.40 H new ATOM 0 HD21 LEU A 104 -5.151 7.870 10.090 1.00 1.51 H new ATOM 0 HD22 LEU A 104 -4.796 7.940 8.348 1.00 1.51 H new ATOM 0 HD23 LEU A 104 -3.538 8.372 9.530 1.00 1.51 H new ATOM 1371 N MET A 105 -1.679 11.732 6.485 1.00 0.98 N ATOM 1372 CA MET A 105 -1.001 11.768 5.193 1.00 0.99 C ATOM 1373 C MET A 105 0.191 10.815 5.178 1.00 0.76 C ATOM 1374 O MET A 105 0.220 9.853 4.409 1.00 0.81 O ATOM 1375 CB MET A 105 -0.537 13.193 4.876 1.00 1.22 C ATOM 1376 CG MET A 105 -0.963 13.680 3.502 1.00 1.08 C ATOM 1377 SD MET A 105 -2.604 14.426 3.510 1.00 1.56 S ATOM 1378 CE MET A 105 -3.569 13.110 4.246 1.00 1.27 C ATOM 0 H MET A 105 -1.790 12.644 6.929 1.00 0.98 H new ATOM 0 HA MET A 105 -1.709 11.447 4.429 1.00 0.99 H new ATOM 0 HB2 MET A 105 -0.933 13.872 5.632 1.00 1.22 H new ATOM 0 HB3 MET A 105 0.550 13.236 4.947 1.00 1.22 H new ATOM 0 HG2 MET A 105 -0.238 14.408 3.138 1.00 1.08 H new ATOM 0 HG3 MET A 105 -0.952 12.843 2.804 1.00 1.08 H new ATOM 0 HE1 MET A 105 -4.630 13.309 4.096 1.00 1.27 H new ATOM 0 HE2 MET A 105 -3.308 12.161 3.777 1.00 1.27 H new ATOM 0 HE3 MET A 105 -3.358 13.057 5.314 1.00 1.27 H new ATOM 1388 N ALA A 106 1.168 11.084 6.037 1.00 0.70 N ATOM 1389 CA ALA A 106 2.358 10.249 6.127 1.00 0.63 C ATOM 1390 C ALA A 106 1.996 8.827 6.540 1.00 0.54 C ATOM 1391 O ALA A 106 2.664 7.865 6.155 1.00 0.61 O ATOM 1392 CB ALA A 106 3.348 10.850 7.115 1.00 0.84 C ATOM 0 H ALA A 106 1.158 11.875 6.681 1.00 0.70 H new ATOM 0 HA ALA A 106 2.822 10.209 5.142 1.00 0.63 H new ATOM 0 HB1 ALA A 106 4.233 10.217 7.174 1.00 0.84 H new ATOM 0 HB2 ALA A 106 3.636 11.847 6.781 1.00 0.84 H new ATOM 0 HB3 ALA A 106 2.884 10.917 8.099 1.00 0.84 H new ATOM 1398 N HIS A 107 0.930 8.701 7.327 1.00 0.53 N ATOM 1399 CA HIS A 107 0.475 7.399 7.796 1.00 0.60 C ATOM 1400 C HIS A 107 0.174 6.475 6.624 1.00 0.55 C ATOM 1401 O HIS A 107 0.736 5.388 6.525 1.00 0.70 O ATOM 1402 CB HIS A 107 -0.766 7.548 8.674 1.00 0.70 C ATOM 1403 CG HIS A 107 -0.840 6.534 9.772 1.00 1.22 C ATOM 1404 ND1 HIS A 107 -0.411 6.583 11.056 1.00 1.79 N flip ATOM 1405 CD2 HIS A 107 -1.403 5.285 9.606 1.00 1.93 C flip ATOM 1406 CE1 HIS A 107 -0.721 5.377 11.634 1.00 2.26 C flip ATOM 1407 NE2 HIS A 107 -1.318 4.612 10.740 1.00 2.34 N flip ATOM 0 H HIS A 107 0.366 9.486 7.652 1.00 0.53 H new ATOM 0 HA HIS A 107 1.276 6.958 8.389 1.00 0.60 H new ATOM 0 HB2 HIS A 107 -0.776 8.547 9.110 1.00 0.70 H new ATOM 0 HB3 HIS A 107 -1.656 7.464 8.050 1.00 0.70 H new ATOM 0 HD2 HIS A 107 -1.844 4.915 8.692 1.00 1.93 H new ATOM 0 HE1 HIS A 107 -0.510 5.099 12.656 1.00 2.26 H new ATOM 0 HE2 HIS A 107 -1.656 3.663 10.897 1.00 2.34 H new ATOM 1416 N TRP A 108 -0.708 6.916 5.732 1.00 0.47 N ATOM 1417 CA TRP A 108 -1.067 6.121 4.563 1.00 0.46 C ATOM 1418 C TRP A 108 0.178 5.770 3.756 1.00 0.43 C ATOM 1419 O TRP A 108 0.395 4.609 3.396 1.00 0.47 O ATOM 1420 CB TRP A 108 -2.065 6.884 3.688 1.00 0.55 C ATOM 1421 CG TRP A 108 -3.451 6.316 3.733 1.00 0.56 C ATOM 1422 CD1 TRP A 108 -3.928 5.261 3.008 1.00 0.94 C ATOM 1423 CD2 TRP A 108 -4.539 6.772 4.544 1.00 0.94 C ATOM 1424 NE1 TRP A 108 -5.247 5.033 3.321 1.00 0.81 N ATOM 1425 CE2 TRP A 108 -5.646 5.947 4.261 1.00 0.78 C ATOM 1426 CE3 TRP A 108 -4.687 7.796 5.484 1.00 1.75 C ATOM 1427 CZ2 TRP A 108 -6.879 6.118 4.883 1.00 1.22 C ATOM 1428 CZ3 TRP A 108 -5.912 7.963 6.101 1.00 2.30 C ATOM 1429 CH2 TRP A 108 -6.995 7.128 5.799 1.00 2.00 C ATOM 0 H TRP A 108 -1.185 7.815 5.796 1.00 0.47 H new ATOM 0 HA TRP A 108 -1.534 5.197 4.903 1.00 0.46 H new ATOM 0 HB2 TRP A 108 -2.096 7.925 4.009 1.00 0.55 H new ATOM 0 HB3 TRP A 108 -1.711 6.879 2.657 1.00 0.55 H new ATOM 0 HD1 TRP A 108 -3.353 4.690 2.294 1.00 0.94 H new ATOM 0 HE1 TRP A 108 -5.834 4.302 2.919 1.00 0.81 H new ATOM 0 HE3 TRP A 108 -3.858 8.445 5.724 1.00 1.75 H new ATOM 0 HZ2 TRP A 108 -7.716 5.476 4.651 1.00 1.22 H new ATOM 0 HZ3 TRP A 108 -6.036 8.751 6.829 1.00 2.30 H new ATOM 0 HH2 TRP A 108 -7.940 7.284 6.299 1.00 2.00 H new ATOM 1440 N ALA A 109 1.002 6.781 3.485 1.00 0.47 N ATOM 1441 CA ALA A 109 2.235 6.587 2.733 1.00 0.51 C ATOM 1442 C ALA A 109 3.085 5.489 3.363 1.00 0.49 C ATOM 1443 O ALA A 109 3.483 4.537 2.693 1.00 0.64 O ATOM 1444 CB ALA A 109 3.019 7.889 2.660 1.00 0.62 C ATOM 0 H ALA A 109 0.835 7.744 3.777 1.00 0.47 H new ATOM 0 HA ALA A 109 1.975 6.278 1.721 1.00 0.51 H new ATOM 0 HB1 ALA A 109 3.938 7.729 2.095 1.00 0.62 H new ATOM 0 HB2 ALA A 109 2.416 8.650 2.164 1.00 0.62 H new ATOM 0 HB3 ALA A 109 3.266 8.222 3.668 1.00 0.62 H new ATOM 1450 N HIS A 110 3.348 5.623 4.659 1.00 0.44 N ATOM 1451 CA HIS A 110 4.140 4.635 5.381 1.00 0.53 C ATOM 1452 C HIS A 110 3.358 3.334 5.528 1.00 0.60 C ATOM 1453 O HIS A 110 3.935 2.246 5.549 1.00 0.86 O ATOM 1454 CB HIS A 110 4.531 5.171 6.759 1.00 0.57 C ATOM 1455 CG HIS A 110 5.913 4.785 7.181 1.00 1.03 C ATOM 1456 ND1 HIS A 110 6.611 3.741 6.610 1.00 1.58 N ATOM 1457 CD2 HIS A 110 6.732 5.310 8.125 1.00 1.90 C ATOM 1458 CE1 HIS A 110 7.797 3.640 7.184 1.00 1.93 C ATOM 1459 NE2 HIS A 110 7.895 4.580 8.106 1.00 2.16 N ATOM 0 H HIS A 110 3.025 6.405 5.229 1.00 0.44 H new ATOM 0 HA HIS A 110 5.048 4.436 4.812 1.00 0.53 H new ATOM 0 HB2 HIS A 110 4.452 6.258 6.753 1.00 0.57 H new ATOM 0 HB3 HIS A 110 3.819 4.804 7.498 1.00 0.57 H new ATOM 0 HD2 HIS A 110 6.511 6.146 8.772 1.00 1.90 H new ATOM 0 HE1 HIS A 110 8.557 2.912 6.940 1.00 1.93 H new ATOM 0 HE2 HIS A 110 8.704 4.738 8.707 1.00 2.16 H new ATOM 1468 N MET A 111 2.039 3.460 5.626 1.00 0.50 N ATOM 1469 CA MET A 111 1.166 2.304 5.766 1.00 0.59 C ATOM 1470 C MET A 111 1.314 1.371 4.571 1.00 0.59 C ATOM 1471 O MET A 111 1.624 0.190 4.731 1.00 0.78 O ATOM 1472 CB MET A 111 -0.290 2.752 5.908 1.00 0.63 C ATOM 1473 CG MET A 111 -1.246 1.620 6.238 1.00 1.24 C ATOM 1474 SD MET A 111 -1.812 0.740 4.771 1.00 2.04 S ATOM 1475 CE MET A 111 -1.084 -0.873 5.044 1.00 1.59 C ATOM 0 H MET A 111 1.551 4.356 5.611 1.00 0.50 H new ATOM 0 HA MET A 111 1.457 1.762 6.666 1.00 0.59 H new ATOM 0 HB2 MET A 111 -0.354 3.509 6.689 1.00 0.63 H new ATOM 0 HB3 MET A 111 -0.608 3.225 4.979 1.00 0.63 H new ATOM 0 HG2 MET A 111 -0.753 0.918 6.911 1.00 1.24 H new ATOM 0 HG3 MET A 111 -2.108 2.021 6.771 1.00 1.24 H new ATOM 0 HE1 MET A 111 -1.128 -1.453 4.122 1.00 1.59 H new ATOM 0 HE2 MET A 111 -0.044 -0.756 5.350 1.00 1.59 H new ATOM 0 HE3 MET A 111 -1.636 -1.394 5.827 1.00 1.59 H new ATOM 1485 N VAL A 112 1.098 1.906 3.373 1.00 0.51 N ATOM 1486 CA VAL A 112 1.218 1.108 2.155 1.00 0.58 C ATOM 1487 C VAL A 112 2.547 0.359 2.124 1.00 0.64 C ATOM 1488 O VAL A 112 2.589 -0.851 1.886 1.00 0.78 O ATOM 1489 CB VAL A 112 1.105 1.981 0.892 1.00 0.59 C ATOM 1490 CG1 VAL A 112 1.010 1.108 -0.349 1.00 1.46 C ATOM 1491 CG2 VAL A 112 -0.093 2.914 0.990 1.00 1.42 C ATOM 0 H VAL A 112 0.841 2.881 3.219 1.00 0.51 H new ATOM 0 HA VAL A 112 0.396 0.393 2.163 1.00 0.58 H new ATOM 0 HB VAL A 112 2.004 2.592 0.813 1.00 0.59 H new ATOM 0 HG11 VAL A 112 0.931 1.740 -1.233 1.00 1.46 H new ATOM 0 HG12 VAL A 112 1.902 0.487 -0.426 1.00 1.46 H new ATOM 0 HG13 VAL A 112 0.129 0.470 -0.279 1.00 1.46 H new ATOM 0 HG21 VAL A 112 -0.155 3.522 0.088 1.00 1.42 H new ATOM 0 HG22 VAL A 112 -1.005 2.326 1.095 1.00 1.42 H new ATOM 0 HG23 VAL A 112 0.021 3.563 1.858 1.00 1.42 H new ATOM 1495 N VAL A 113 3.630 1.087 2.377 1.00 0.61 N ATOM 1496 CA VAL A 113 4.962 0.499 2.389 1.00 0.72 C ATOM 1497 C VAL A 113 5.056 -0.594 3.448 1.00 0.82 C ATOM 1498 O VAL A 113 5.462 -1.719 3.157 1.00 1.03 O ATOM 1499 CB VAL A 113 6.045 1.562 2.658 1.00 0.73 C ATOM 1500 CG1 VAL A 113 7.433 0.941 2.607 1.00 0.97 C ATOM 1501 CG2 VAL A 113 5.929 2.705 1.661 1.00 0.63 C ATOM 0 H VAL A 113 3.610 2.087 2.577 1.00 0.61 H new ATOM 0 HA VAL A 113 5.134 0.067 1.403 1.00 0.72 H new ATOM 0 HB VAL A 113 5.890 1.964 3.659 1.00 0.73 H new ATOM 0 HG11 VAL A 113 8.182 1.709 2.800 1.00 0.97 H new ATOM 0 HG12 VAL A 113 7.510 0.160 3.364 1.00 0.97 H new ATOM 0 HG13 VAL A 113 7.602 0.508 1.621 1.00 0.97 H new ATOM 0 HG21 VAL A 113 6.701 3.446 1.866 1.00 0.63 H new ATOM 0 HG22 VAL A 113 6.055 2.320 0.649 1.00 0.63 H new ATOM 0 HG23 VAL A 113 4.947 3.169 1.752 1.00 0.63 H new ATOM 1505 N HIS A 114 4.671 -0.260 4.678 1.00 0.75 N ATOM 1506 CA HIS A 114 4.706 -1.220 5.775 1.00 0.85 C ATOM 1507 C HIS A 114 3.883 -2.459 5.426 1.00 0.96 C ATOM 1508 O HIS A 114 4.195 -3.569 5.855 1.00 1.08 O ATOM 1509 CB HIS A 114 4.191 -0.570 7.072 1.00 0.89 C ATOM 1510 CG HIS A 114 2.913 -1.158 7.603 1.00 0.99 C ATOM 1511 ND1 HIS A 114 1.667 -0.806 7.127 1.00 1.39 N ATOM 1512 CD2 HIS A 114 2.696 -2.083 8.568 1.00 1.57 C ATOM 1513 CE1 HIS A 114 0.739 -1.487 7.776 1.00 1.30 C ATOM 1514 NE2 HIS A 114 1.337 -2.270 8.655 1.00 1.36 N ATOM 0 H HIS A 114 4.332 0.666 4.938 1.00 0.75 H new ATOM 0 HA HIS A 114 5.739 -1.530 5.934 1.00 0.85 H new ATOM 0 HB2 HIS A 114 4.962 -0.658 7.838 1.00 0.89 H new ATOM 0 HB3 HIS A 114 4.039 0.495 6.894 1.00 0.89 H new ATOM 0 HD1 HIS A 114 1.489 -0.125 6.388 1.00 1.39 H new ATOM 0 HD2 HIS A 114 3.450 -2.581 9.159 1.00 1.57 H new ATOM 0 HE1 HIS A 114 -0.327 -1.415 7.615 1.00 1.30 H new ATOM 1523 N GLY A 115 2.829 -2.252 4.644 1.00 1.03 N ATOM 1524 CA GLY A 115 1.972 -3.351 4.246 1.00 1.18 C ATOM 1525 C GLY A 115 2.595 -4.221 3.174 1.00 1.20 C ATOM 1526 O GLY A 115 2.837 -5.406 3.393 1.00 1.36 O ATOM 0 H GLY A 115 2.553 -1.340 4.279 1.00 1.03 H new ATOM 0 HA2 GLY A 115 1.745 -3.964 5.119 1.00 1.18 H new ATOM 0 HA3 GLY A 115 1.025 -2.954 3.881 1.00 1.18 H new ATOM 1530 N SER A 116 2.847 -3.634 2.006 1.00 1.17 N ATOM 1531 CA SER A 116 3.436 -4.371 0.888 1.00 1.26 C ATOM 1532 C SER A 116 4.696 -5.126 1.307 1.00 1.36 C ATOM 1533 O SER A 116 4.926 -6.252 0.867 1.00 1.63 O ATOM 1534 CB SER A 116 3.762 -3.420 -0.264 1.00 1.31 C ATOM 1535 OG SER A 116 4.495 -2.296 0.192 1.00 1.72 O ATOM 0 H SER A 116 2.653 -2.652 1.808 1.00 1.17 H new ATOM 0 HA SER A 116 2.699 -5.103 0.557 1.00 1.26 H new ATOM 0 HB2 SER A 116 4.337 -3.949 -1.024 1.00 1.31 H new ATOM 0 HB3 SER A 116 2.838 -3.088 -0.737 1.00 1.31 H new ATOM 0 HG SER A 116 3.891 -1.676 0.652 1.00 1.72 H new ATOM 1541 N LEU A 117 5.514 -4.503 2.149 1.00 1.28 N ATOM 1542 CA LEU A 117 6.750 -5.130 2.607 1.00 1.49 C ATOM 1543 C LEU A 117 6.460 -6.437 3.341 1.00 1.69 C ATOM 1544 O LEU A 117 6.887 -7.508 2.910 1.00 1.94 O ATOM 1545 CB LEU A 117 7.528 -4.177 3.518 1.00 1.49 C ATOM 1546 CG LEU A 117 8.934 -3.819 3.031 1.00 1.78 C ATOM 1547 CD1 LEU A 117 9.704 -5.074 2.647 1.00 2.07 C ATOM 1548 CD2 LEU A 117 8.859 -2.860 1.855 1.00 2.38 C ATOM 0 H LEU A 117 5.346 -3.570 2.526 1.00 1.28 H new ATOM 0 HA LEU A 117 7.358 -5.355 1.731 1.00 1.49 H new ATOM 0 HB2 LEU A 117 6.954 -3.257 3.631 1.00 1.49 H new ATOM 0 HB3 LEU A 117 7.606 -4.628 4.507 1.00 1.49 H new ATOM 0 HG LEU A 117 9.466 -3.327 3.846 1.00 1.78 H new ATOM 0 HD11 LEU A 117 10.701 -4.798 2.303 1.00 2.07 H new ATOM 0 HD12 LEU A 117 9.787 -5.729 3.514 1.00 2.07 H new ATOM 0 HD13 LEU A 117 9.176 -5.595 1.848 1.00 2.07 H new ATOM 0 HD21 LEU A 117 9.867 -2.615 1.520 1.00 2.38 H new ATOM 0 HD22 LEU A 117 8.309 -3.328 1.038 1.00 2.38 H new ATOM 0 HD23 LEU A 117 8.347 -1.948 2.161 1.00 2.38 H new ATOM 1554 N HIS A 118 5.728 -6.341 4.445 1.00 1.70 N ATOM 1555 CA HIS A 118 5.377 -7.519 5.233 1.00 2.04 C ATOM 1556 C HIS A 118 4.393 -8.408 4.474 1.00 2.25 C ATOM 1557 O HIS A 118 4.257 -9.595 4.771 1.00 2.60 O ATOM 1558 CB HIS A 118 4.772 -7.097 6.574 1.00 2.10 C ATOM 1559 CG HIS A 118 5.704 -7.272 7.733 1.00 2.30 C ATOM 1560 ND1 HIS A 118 6.890 -6.581 7.857 1.00 2.63 N ATOM 1561 CD2 HIS A 118 5.618 -8.066 8.826 1.00 2.93 C ATOM 1562 CE1 HIS A 118 7.494 -6.943 8.976 1.00 3.13 C ATOM 1563 NE2 HIS A 118 6.741 -7.842 9.582 1.00 3.28 N ATOM 0 H HIS A 118 5.366 -5.462 4.815 1.00 1.70 H new ATOM 0 HA HIS A 118 6.288 -8.090 5.416 1.00 2.04 H new ATOM 0 HB2 HIS A 118 4.472 -6.051 6.515 1.00 2.10 H new ATOM 0 HB3 HIS A 118 3.868 -7.678 6.754 1.00 2.10 H new ATOM 0 HD2 HIS A 118 4.815 -8.749 9.060 1.00 2.93 H new ATOM 0 HE1 HIS A 118 8.441 -6.567 9.333 1.00 3.13 H new ATOM 0 HE2 HIS A 118 6.959 -8.297 10.469 1.00 3.28 H new ATOM 1572 N LEU A 119 3.706 -7.821 3.497 1.00 2.15 N ATOM 1573 CA LEU A 119 2.727 -8.547 2.694 1.00 2.45 C ATOM 1574 C LEU A 119 3.325 -9.818 2.099 1.00 2.53 C ATOM 1575 O LEU A 119 2.858 -10.922 2.377 1.00 2.98 O ATOM 1576 CB LEU A 119 2.205 -7.642 1.573 1.00 2.52 C ATOM 1577 CG LEU A 119 1.100 -8.238 0.698 1.00 2.47 C ATOM 1578 CD1 LEU A 119 1.674 -9.249 -0.281 1.00 3.30 C ATOM 1579 CD2 LEU A 119 0.017 -8.878 1.556 1.00 2.27 C ATOM 0 H LEU A 119 3.811 -6.839 3.242 1.00 2.15 H new ATOM 0 HA LEU A 119 1.903 -8.838 3.346 1.00 2.45 H new ATOM 0 HB2 LEU A 119 1.832 -6.720 2.020 1.00 2.52 H new ATOM 0 HB3 LEU A 119 3.043 -7.369 0.932 1.00 2.52 H new ATOM 0 HG LEU A 119 0.648 -7.428 0.126 1.00 2.47 H new ATOM 0 HD11 LEU A 119 0.871 -9.660 -0.893 1.00 3.30 H new ATOM 0 HD12 LEU A 119 2.405 -8.759 -0.924 1.00 3.30 H new ATOM 0 HD13 LEU A 119 2.159 -10.055 0.270 1.00 3.30 H new ATOM 0 HD21 LEU A 119 -0.758 -9.295 0.913 1.00 2.27 H new ATOM 0 HD22 LEU A 119 0.454 -9.673 2.160 1.00 2.27 H new ATOM 0 HD23 LEU A 119 -0.421 -8.125 2.210 1.00 2.27 H new ATOM 1585 N LEU A 120 4.351 -9.656 1.270 1.00 2.25 N ATOM 1586 CA LEU A 120 4.996 -10.797 0.627 1.00 2.47 C ATOM 1587 C LEU A 120 6.519 -10.735 0.740 1.00 2.57 C ATOM 1588 O LEU A 120 7.212 -11.650 0.295 1.00 3.07 O ATOM 1589 CB LEU A 120 4.593 -10.859 -0.847 1.00 2.62 C ATOM 1590 CG LEU A 120 5.230 -9.785 -1.737 1.00 2.70 C ATOM 1591 CD1 LEU A 120 6.234 -10.409 -2.695 1.00 3.20 C ATOM 1592 CD2 LEU A 120 4.159 -9.021 -2.503 1.00 2.88 C ATOM 0 H LEU A 120 4.753 -8.750 1.028 1.00 2.25 H new ATOM 0 HA LEU A 120 4.661 -11.696 1.144 1.00 2.47 H new ATOM 0 HB2 LEU A 120 4.859 -11.840 -1.240 1.00 2.62 H new ATOM 0 HB3 LEU A 120 3.509 -10.771 -0.916 1.00 2.62 H new ATOM 0 HG LEU A 120 5.762 -9.080 -1.097 1.00 2.70 H new ATOM 0 HD11 LEU A 120 6.675 -9.631 -3.318 1.00 3.20 H new ATOM 0 HD12 LEU A 120 7.019 -10.907 -2.126 1.00 3.20 H new ATOM 0 HD13 LEU A 120 5.728 -11.137 -3.329 1.00 3.20 H new ATOM 0 HD21 LEU A 120 4.630 -8.263 -3.129 1.00 2.88 H new ATOM 0 HD22 LEU A 120 3.598 -9.713 -3.131 1.00 2.88 H new ATOM 0 HD23 LEU A 120 3.481 -8.539 -1.798 1.00 2.88 H new ATOM 1598 N GLY A 121 7.043 -9.659 1.323 1.00 2.56 N ATOM 1599 CA GLY A 121 8.482 -9.529 1.455 1.00 3.27 C ATOM 1600 C GLY A 121 9.139 -9.161 0.141 1.00 3.49 C ATOM 1601 O GLY A 121 9.846 -9.972 -0.458 1.00 4.12 O ATOM 0 H GLY A 121 6.502 -8.882 1.703 1.00 2.56 H new ATOM 0 HA2 GLY A 121 8.711 -8.768 2.201 1.00 3.27 H new ATOM 0 HA3 GLY A 121 8.899 -10.468 1.819 1.00 3.27 H new ATOM 1605 N TYR A 122 8.897 -7.936 -0.313 1.00 3.41 N ATOM 1606 CA TYR A 122 9.457 -7.454 -1.574 1.00 4.05 C ATOM 1607 C TYR A 122 10.984 -7.374 -1.538 1.00 4.04 C ATOM 1608 O TYR A 122 11.609 -6.969 -2.518 1.00 4.29 O ATOM 1609 CB TYR A 122 8.873 -6.082 -1.923 1.00 4.92 C ATOM 1610 CG TYR A 122 7.663 -6.157 -2.826 1.00 4.99 C ATOM 1611 CD1 TYR A 122 7.641 -7.023 -3.912 1.00 5.07 C ATOM 1612 CD2 TYR A 122 6.544 -5.368 -2.590 1.00 5.29 C ATOM 1613 CE1 TYR A 122 6.536 -7.101 -4.739 1.00 5.49 C ATOM 1614 CE2 TYR A 122 5.435 -5.442 -3.412 1.00 5.72 C ATOM 1615 CZ TYR A 122 5.437 -6.310 -4.485 1.00 5.83 C ATOM 1616 OH TYR A 122 4.334 -6.390 -5.303 1.00 6.50 O ATOM 0 H TYR A 122 8.315 -7.255 0.174 1.00 3.41 H new ATOM 0 HA TYR A 122 9.184 -8.176 -2.343 1.00 4.05 H new ATOM 0 HB2 TYR A 122 8.599 -5.567 -1.002 1.00 4.92 H new ATOM 0 HB3 TYR A 122 9.642 -5.480 -2.408 1.00 4.92 H new ATOM 0 HD1 TYR A 122 8.501 -7.645 -4.113 1.00 5.07 H new ATOM 0 HD2 TYR A 122 6.541 -4.687 -1.752 1.00 5.29 H new ATOM 0 HE1 TYR A 122 6.534 -7.779 -5.580 1.00 5.49 H new ATOM 0 HE2 TYR A 122 4.572 -4.824 -3.216 1.00 5.72 H new ATOM 0 HH TYR A 122 3.533 -6.139 -4.798 1.00 6.50 H new ATOM 1626 N ASP A 123 11.586 -7.760 -0.417 1.00 4.20 N ATOM 1627 CA ASP A 123 13.036 -7.729 -0.284 1.00 4.65 C ATOM 1628 C ASP A 123 13.701 -8.750 -1.211 1.00 4.02 C ATOM 1629 O ASP A 123 14.915 -8.717 -1.411 1.00 4.67 O ATOM 1630 CB ASP A 123 13.432 -8.005 1.165 1.00 5.43 C ATOM 1631 CG ASP A 123 14.929 -7.915 1.386 1.00 6.23 C ATOM 1632 OD1 ASP A 123 15.511 -6.853 1.079 1.00 6.82 O ATOM 1633 OD2 ASP A 123 15.520 -8.905 1.864 1.00 6.57 O ATOM 0 H ASP A 123 11.092 -8.097 0.410 1.00 4.20 H new ATOM 0 HA ASP A 123 13.381 -6.736 -0.572 1.00 4.65 H new ATOM 0 HB2 ASP A 123 12.928 -7.292 1.818 1.00 5.43 H new ATOM 0 HB3 ASP A 123 13.085 -8.998 1.450 1.00 5.43 H new ATOM 1638 N HIS A 124 12.901 -9.656 -1.777 1.00 2.97 N ATOM 1639 CA HIS A 124 13.419 -10.682 -2.681 1.00 2.45 C ATOM 1640 C HIS A 124 14.311 -10.071 -3.756 1.00 2.10 C ATOM 1641 O HIS A 124 14.411 -8.850 -3.864 1.00 2.45 O ATOM 1642 CB HIS A 124 12.265 -11.444 -3.338 1.00 2.23 C ATOM 1643 CG HIS A 124 11.424 -10.598 -4.246 1.00 2.36 C ATOM 1644 ND1 HIS A 124 11.411 -9.259 -4.449 1.00 2.46 N flip ATOM 1645 CD2 HIS A 124 10.453 -11.118 -5.076 1.00 2.98 C flip ATOM 1646 CE1 HIS A 124 10.442 -8.998 -5.387 1.00 2.83 C flip ATOM 1647 NE2 HIS A 124 9.880 -10.136 -5.750 1.00 3.06 N flip ATOM 0 H HIS A 124 11.893 -9.699 -1.625 1.00 2.97 H new ATOM 0 HA HIS A 124 14.018 -11.375 -2.090 1.00 2.45 H new ATOM 0 HB2 HIS A 124 12.671 -12.280 -3.908 1.00 2.23 H new ATOM 0 HB3 HIS A 124 11.631 -11.867 -2.559 1.00 2.23 H new ATOM 0 HD1 HIS A 124 12.010 -8.572 -3.991 1.00 2.46 H new ATOM 0 HD2 HIS A 124 10.200 -12.164 -5.162 1.00 2.98 H new ATOM 0 HE1 HIS A 124 10.182 -8.021 -5.766 1.00 2.83 H new ATOM 1656 N ILE A 125 14.955 -10.939 -4.544 1.00 1.91 N ATOM 1657 CA ILE A 125 15.852 -10.519 -5.627 1.00 2.11 C ATOM 1658 C ILE A 125 16.548 -9.194 -5.318 1.00 2.10 C ATOM 1659 O ILE A 125 15.978 -8.119 -5.504 1.00 1.90 O ATOM 1660 CB ILE A 125 15.103 -10.405 -6.970 1.00 2.32 C ATOM 1661 CG1 ILE A 125 13.864 -9.519 -6.828 1.00 2.52 C ATOM 1662 CG2 ILE A 125 14.715 -11.787 -7.475 1.00 2.86 C ATOM 1663 CD1 ILE A 125 13.618 -8.635 -8.029 1.00 3.27 C ATOM 0 H ILE A 125 14.869 -11.951 -4.449 1.00 1.91 H new ATOM 0 HA ILE A 125 16.613 -11.295 -5.709 1.00 2.11 H new ATOM 0 HB ILE A 125 15.769 -9.941 -7.697 1.00 2.32 H new ATOM 0 HG12 ILE A 125 12.991 -10.151 -6.666 1.00 2.52 H new ATOM 0 HG13 ILE A 125 13.973 -8.894 -5.942 1.00 2.52 H new ATOM 0 HG21 ILE A 125 14.187 -11.693 -8.424 1.00 2.86 H new ATOM 0 HG22 ILE A 125 15.613 -12.388 -7.618 1.00 2.86 H new ATOM 0 HG23 ILE A 125 14.066 -12.272 -6.745 1.00 2.86 H new ATOM 0 HD11 ILE A 125 12.724 -8.034 -7.861 1.00 3.27 H new ATOM 0 HD12 ILE A 125 14.475 -7.978 -8.179 1.00 3.27 H new ATOM 0 HD13 ILE A 125 13.477 -9.255 -8.914 1.00 3.27 H new ATOM 1667 N GLU A 126 17.783 -9.283 -4.841 1.00 2.54 N ATOM 1668 CA GLU A 126 18.559 -8.099 -4.493 1.00 2.75 C ATOM 1669 C GLU A 126 19.206 -7.452 -5.718 1.00 2.70 C ATOM 1670 O GLU A 126 20.085 -6.601 -5.582 1.00 2.83 O ATOM 1671 CB GLU A 126 19.639 -8.460 -3.471 1.00 3.67 C ATOM 1672 CG GLU A 126 20.672 -9.442 -3.997 1.00 4.39 C ATOM 1673 CD GLU A 126 21.927 -8.754 -4.499 1.00 5.41 C ATOM 1674 OE1 GLU A 126 22.587 -8.063 -3.696 1.00 6.01 O ATOM 1675 OE2 GLU A 126 22.249 -8.907 -5.696 1.00 5.87 O ATOM 0 H GLU A 126 18.270 -10.166 -4.686 1.00 2.54 H new ATOM 0 HA GLU A 126 17.868 -7.375 -4.062 1.00 2.75 H new ATOM 0 HB2 GLU A 126 20.145 -7.549 -3.153 1.00 3.67 H new ATOM 0 HB3 GLU A 126 19.163 -8.885 -2.587 1.00 3.67 H new ATOM 0 HG2 GLU A 126 20.938 -10.143 -3.206 1.00 4.39 H new ATOM 0 HG3 GLU A 126 20.234 -10.026 -4.806 1.00 4.39 H new ATOM 1682 N ASP A 127 18.785 -7.859 -6.914 1.00 2.79 N ATOM 1683 CA ASP A 127 19.353 -7.309 -8.140 1.00 3.14 C ATOM 1684 C ASP A 127 18.605 -6.063 -8.621 1.00 2.88 C ATOM 1685 O ASP A 127 19.145 -4.957 -8.588 1.00 3.08 O ATOM 1686 CB ASP A 127 19.348 -8.371 -9.242 1.00 3.66 C ATOM 1687 CG ASP A 127 20.628 -8.366 -10.054 1.00 4.67 C ATOM 1688 OD1 ASP A 127 20.768 -7.494 -10.937 1.00 5.29 O ATOM 1689 OD2 ASP A 127 21.490 -9.235 -9.807 1.00 5.15 O ATOM 0 H ASP A 127 18.059 -8.561 -7.059 1.00 2.79 H new ATOM 0 HA ASP A 127 20.377 -7.010 -7.915 1.00 3.14 H new ATOM 0 HB2 ASP A 127 19.209 -9.355 -8.794 1.00 3.66 H new ATOM 0 HB3 ASP A 127 18.500 -8.199 -9.905 1.00 3.66 H new ATOM 1694 N ASP A 128 17.376 -6.252 -9.096 1.00 2.70 N ATOM 1695 CA ASP A 128 16.578 -5.142 -9.617 1.00 2.87 C ATOM 1696 C ASP A 128 15.588 -4.581 -8.592 1.00 2.37 C ATOM 1697 O ASP A 128 15.848 -3.558 -7.959 1.00 2.51 O ATOM 1698 CB ASP A 128 15.828 -5.583 -10.875 1.00 3.34 C ATOM 1699 CG ASP A 128 16.653 -5.398 -12.134 1.00 3.82 C ATOM 1700 OD1 ASP A 128 17.364 -4.377 -12.234 1.00 4.30 O ATOM 1701 OD2 ASP A 128 16.587 -6.276 -13.020 1.00 4.15 O ATOM 0 H ASP A 128 16.911 -7.159 -9.131 1.00 2.70 H new ATOM 0 HA ASP A 128 17.275 -4.339 -9.856 1.00 2.87 H new ATOM 0 HB2 ASP A 128 15.547 -6.632 -10.779 1.00 3.34 H new ATOM 0 HB3 ASP A 128 14.903 -5.012 -10.962 1.00 3.34 H new ATOM 1706 N GLU A 129 14.438 -5.243 -8.466 1.00 2.02 N ATOM 1707 CA GLU A 129 13.372 -4.809 -7.558 1.00 1.94 C ATOM 1708 C GLU A 129 13.912 -4.295 -6.225 1.00 1.62 C ATOM 1709 O GLU A 129 13.361 -3.359 -5.647 1.00 1.65 O ATOM 1710 CB GLU A 129 12.390 -5.956 -7.310 1.00 2.14 C ATOM 1711 CG GLU A 129 11.101 -5.516 -6.635 1.00 3.04 C ATOM 1712 CD GLU A 129 9.864 -5.976 -7.382 1.00 4.10 C ATOM 1713 OE1 GLU A 129 9.791 -7.174 -7.728 1.00 4.68 O ATOM 1714 OE2 GLU A 129 8.968 -5.139 -7.623 1.00 4.72 O ATOM 0 H GLU A 129 14.218 -6.092 -8.987 1.00 2.02 H new ATOM 0 HA GLU A 129 12.858 -3.979 -8.044 1.00 1.94 H new ATOM 0 HB2 GLU A 129 12.149 -6.430 -8.262 1.00 2.14 H new ATOM 0 HB3 GLU A 129 12.875 -6.712 -6.692 1.00 2.14 H new ATOM 0 HG2 GLU A 129 11.075 -5.910 -5.619 1.00 3.04 H new ATOM 0 HG3 GLU A 129 11.090 -4.429 -6.556 1.00 3.04 H new ATOM 1721 N ALA A 130 14.982 -4.905 -5.734 1.00 1.57 N ATOM 1722 CA ALA A 130 15.570 -4.492 -4.465 1.00 1.56 C ATOM 1723 C ALA A 130 15.890 -3.000 -4.458 1.00 1.41 C ATOM 1724 O ALA A 130 15.185 -2.207 -3.834 1.00 1.33 O ATOM 1725 CB ALA A 130 16.820 -5.303 -4.174 1.00 1.92 C ATOM 0 H ALA A 130 15.459 -5.683 -6.191 1.00 1.57 H new ATOM 0 HA ALA A 130 14.837 -4.679 -3.680 1.00 1.56 H new ATOM 0 HB1 ALA A 130 17.248 -4.984 -3.224 1.00 1.92 H new ATOM 0 HB2 ALA A 130 16.563 -6.361 -4.119 1.00 1.92 H new ATOM 0 HB3 ALA A 130 17.548 -5.148 -4.970 1.00 1.92 H new ATOM 1731 N GLU A 131 16.958 -2.623 -5.155 1.00 1.46 N ATOM 1732 CA GLU A 131 17.372 -1.224 -5.227 1.00 1.46 C ATOM 1733 C GLU A 131 16.223 -0.335 -5.693 1.00 1.38 C ATOM 1734 O GLU A 131 15.966 0.722 -5.113 1.00 1.37 O ATOM 1735 CB GLU A 131 18.568 -1.074 -6.170 1.00 1.66 C ATOM 1736 CG GLU A 131 19.903 -0.988 -5.450 1.00 1.92 C ATOM 1737 CD GLU A 131 20.354 -2.327 -4.896 1.00 2.55 C ATOM 1738 OE1 GLU A 131 20.067 -3.360 -5.536 1.00 2.84 O ATOM 1739 OE2 GLU A 131 20.993 -2.340 -3.823 1.00 3.30 O ATOM 0 H GLU A 131 17.553 -3.266 -5.678 1.00 1.46 H new ATOM 0 HA GLU A 131 17.665 -0.906 -4.226 1.00 1.46 H new ATOM 0 HB2 GLU A 131 18.588 -1.921 -6.855 1.00 1.66 H new ATOM 0 HB3 GLU A 131 18.433 -0.178 -6.775 1.00 1.66 H new ATOM 0 HG2 GLU A 131 20.659 -0.610 -6.138 1.00 1.92 H new ATOM 0 HG3 GLU A 131 19.826 -0.269 -4.635 1.00 1.92 H new ATOM 1746 N GLU A 132 15.537 -0.768 -6.745 1.00 1.44 N ATOM 1747 CA GLU A 132 14.416 -0.013 -7.294 1.00 1.53 C ATOM 1748 C GLU A 132 13.351 0.235 -6.230 1.00 1.29 C ATOM 1749 O GLU A 132 13.063 1.380 -5.882 1.00 1.22 O ATOM 1750 CB GLU A 132 13.806 -0.758 -8.483 1.00 1.86 C ATOM 1751 CG GLU A 132 14.275 -0.239 -9.832 1.00 2.46 C ATOM 1752 CD GLU A 132 15.774 -0.379 -10.021 1.00 2.96 C ATOM 1753 OE1 GLU A 132 16.239 -1.514 -10.253 1.00 3.37 O ATOM 1754 OE2 GLU A 132 16.481 0.646 -9.936 1.00 3.44 O ATOM 0 H GLU A 132 15.738 -1.639 -7.236 1.00 1.44 H new ATOM 0 HA GLU A 132 14.792 0.952 -7.634 1.00 1.53 H new ATOM 0 HB2 GLU A 132 14.054 -1.816 -8.404 1.00 1.86 H new ATOM 0 HB3 GLU A 132 12.720 -0.681 -8.431 1.00 1.86 H new ATOM 0 HG2 GLU A 132 13.760 -0.781 -10.625 1.00 2.46 H new ATOM 0 HG3 GLU A 132 13.996 0.810 -9.931 1.00 2.46 H new ATOM 1761 N MET A 133 12.769 -0.844 -5.717 1.00 1.28 N ATOM 1762 CA MET A 133 11.736 -0.738 -4.692 1.00 1.23 C ATOM 1763 C MET A 133 12.276 -0.046 -3.446 1.00 0.98 C ATOM 1764 O MET A 133 11.628 0.838 -2.885 1.00 0.92 O ATOM 1765 CB MET A 133 11.200 -2.125 -4.330 1.00 1.53 C ATOM 1766 CG MET A 133 9.742 -2.121 -3.899 1.00 1.39 C ATOM 1767 SD MET A 133 9.544 -1.966 -2.115 1.00 2.20 S ATOM 1768 CE MET A 133 7.933 -1.193 -2.022 1.00 2.47 C ATOM 0 H MET A 133 12.994 -1.800 -5.993 1.00 1.28 H new ATOM 0 HA MET A 133 10.921 -0.137 -5.095 1.00 1.23 H new ATOM 0 HB2 MET A 133 11.314 -2.785 -5.190 1.00 1.53 H new ATOM 0 HB3 MET A 133 11.807 -2.541 -3.526 1.00 1.53 H new ATOM 0 HG2 MET A 133 9.224 -1.297 -4.391 1.00 1.39 H new ATOM 0 HG3 MET A 133 9.266 -3.042 -4.234 1.00 1.39 H new ATOM 0 HE1 MET A 133 7.910 -0.500 -1.181 1.00 2.47 H new ATOM 0 HE2 MET A 133 7.737 -0.649 -2.946 1.00 2.47 H new ATOM 0 HE3 MET A 133 7.170 -1.958 -1.882 1.00 2.47 H new ATOM 1778 N GLU A 134 13.471 -0.448 -3.019 1.00 1.00 N ATOM 1779 CA GLU A 134 14.101 0.139 -1.840 1.00 0.98 C ATOM 1780 C GLU A 134 14.205 1.653 -1.980 1.00 0.85 C ATOM 1781 O GLU A 134 13.640 2.400 -1.180 1.00 0.92 O ATOM 1782 CB GLU A 134 15.492 -0.461 -1.625 1.00 1.17 C ATOM 1783 CG GLU A 134 15.469 -1.835 -0.973 1.00 1.00 C ATOM 1784 CD GLU A 134 16.410 -1.933 0.213 1.00 1.57 C ATOM 1785 OE1 GLU A 134 16.389 -1.022 1.066 1.00 2.11 O ATOM 1786 OE2 GLU A 134 17.168 -2.923 0.287 1.00 2.40 O ATOM 0 H GLU A 134 14.022 -1.177 -3.472 1.00 1.00 H new ATOM 0 HA GLU A 134 13.479 -0.088 -0.975 1.00 0.98 H new ATOM 0 HB2 GLU A 134 16.000 -0.533 -2.587 1.00 1.17 H new ATOM 0 HB3 GLU A 134 16.079 0.216 -1.005 1.00 1.17 H new ATOM 0 HG2 GLU A 134 14.454 -2.061 -0.647 1.00 1.00 H new ATOM 0 HG3 GLU A 134 15.742 -2.588 -1.712 1.00 1.00 H new ATOM 1793 N SER A 135 14.921 2.101 -3.006 1.00 0.80 N ATOM 1794 CA SER A 135 15.085 3.528 -3.252 1.00 0.84 C ATOM 1795 C SER A 135 13.729 4.183 -3.487 1.00 0.80 C ATOM 1796 O SER A 135 13.460 5.280 -2.994 1.00 0.82 O ATOM 1797 CB SER A 135 15.996 3.760 -4.459 1.00 0.97 C ATOM 1798 OG SER A 135 16.359 5.125 -4.569 1.00 1.29 O ATOM 0 H SER A 135 15.395 1.498 -3.678 1.00 0.80 H new ATOM 0 HA SER A 135 15.546 3.979 -2.374 1.00 0.84 H new ATOM 0 HB2 SER A 135 16.893 3.148 -4.364 1.00 0.97 H new ATOM 0 HB3 SER A 135 15.488 3.441 -5.369 1.00 0.97 H new ATOM 0 HG SER A 135 16.942 5.247 -5.347 1.00 1.29 H new ATOM 1804 N LEU A 136 12.875 3.493 -4.239 1.00 0.81 N ATOM 1805 CA LEU A 136 11.540 3.996 -4.539 1.00 0.87 C ATOM 1806 C LEU A 136 10.786 4.314 -3.253 1.00 0.73 C ATOM 1807 O LEU A 136 10.401 5.458 -3.020 1.00 0.85 O ATOM 1808 CB LEU A 136 10.760 2.966 -5.365 1.00 0.98 C ATOM 1809 CG LEU A 136 9.349 3.391 -5.787 1.00 1.16 C ATOM 1810 CD1 LEU A 136 8.378 3.259 -4.623 1.00 1.17 C ATOM 1811 CD2 LEU A 136 9.353 4.816 -6.325 1.00 1.73 C ATOM 0 H LEU A 136 13.085 2.584 -4.651 1.00 0.81 H new ATOM 0 HA LEU A 136 11.639 4.914 -5.119 1.00 0.87 H new ATOM 0 HB2 LEU A 136 11.335 2.735 -6.262 1.00 0.98 H new ATOM 0 HB3 LEU A 136 10.686 2.044 -4.788 1.00 0.98 H new ATOM 0 HG LEU A 136 9.018 2.727 -6.585 1.00 1.16 H new ATOM 0 HD11 LEU A 136 7.382 3.566 -4.943 1.00 1.17 H new ATOM 0 HD12 LEU A 136 8.349 2.222 -4.290 1.00 1.17 H new ATOM 0 HD13 LEU A 136 8.707 3.895 -3.801 1.00 1.17 H new ATOM 0 HD21 LEU A 136 8.342 5.097 -6.619 1.00 1.73 H new ATOM 0 HD22 LEU A 136 9.708 5.496 -5.551 1.00 1.73 H new ATOM 0 HD23 LEU A 136 10.012 4.876 -7.191 1.00 1.73 H new ATOM 1817 N GLU A 137 10.592 3.298 -2.417 1.00 0.57 N ATOM 1818 CA GLU A 137 9.893 3.477 -1.149 1.00 0.51 C ATOM 1819 C GLU A 137 10.644 4.459 -0.262 1.00 0.52 C ATOM 1820 O GLU A 137 10.049 5.360 0.334 1.00 0.53 O ATOM 1821 CB GLU A 137 9.723 2.134 -0.433 1.00 0.52 C ATOM 1822 CG GLU A 137 11.026 1.545 0.087 1.00 1.16 C ATOM 1823 CD GLU A 137 10.828 0.201 0.761 1.00 1.87 C ATOM 1824 OE1 GLU A 137 10.415 0.182 1.939 1.00 2.54 O ATOM 1825 OE2 GLU A 137 11.086 -0.833 0.109 1.00 2.45 O ATOM 0 H GLU A 137 10.908 2.345 -2.594 1.00 0.57 H new ATOM 0 HA GLU A 137 8.903 3.884 -1.357 1.00 0.51 H new ATOM 0 HB2 GLU A 137 9.035 2.263 0.402 1.00 0.52 H new ATOM 0 HB3 GLU A 137 9.262 1.423 -1.119 1.00 0.52 H new ATOM 0 HG2 GLU A 137 11.726 1.433 -0.741 1.00 1.16 H new ATOM 0 HG3 GLU A 137 11.478 2.240 0.795 1.00 1.16 H new ATOM 1832 N THR A 138 11.959 4.289 -0.191 1.00 0.57 N ATOM 1833 CA THR A 138 12.798 5.168 0.610 1.00 0.67 C ATOM 1834 C THR A 138 12.555 6.623 0.223 1.00 0.69 C ATOM 1835 O THR A 138 12.626 7.523 1.061 1.00 0.77 O ATOM 1836 CB THR A 138 14.273 4.809 0.420 1.00 0.82 C ATOM 1837 OG1 THR A 138 14.563 3.554 1.008 1.00 0.85 O ATOM 1838 CG2 THR A 138 15.220 5.824 1.019 1.00 1.10 C ATOM 0 H THR A 138 12.466 3.550 -0.679 1.00 0.57 H new ATOM 0 HA THR A 138 12.540 5.037 1.661 1.00 0.67 H new ATOM 0 HB THR A 138 14.426 4.786 -0.659 1.00 0.82 H new ATOM 0 HG1 THR A 138 14.311 2.837 0.390 1.00 0.85 H new ATOM 0 HG21 THR A 138 16.249 5.507 0.848 1.00 1.10 H new ATOM 0 HG22 THR A 138 15.057 6.795 0.551 1.00 1.10 H new ATOM 0 HG23 THR A 138 15.038 5.903 2.091 1.00 1.10 H new ATOM 1843 N GLN A 139 12.256 6.842 -1.054 1.00 0.70 N ATOM 1844 CA GLN A 139 11.992 8.182 -1.556 1.00 0.79 C ATOM 1845 C GLN A 139 10.621 8.666 -1.095 1.00 0.67 C ATOM 1846 O GLN A 139 10.461 9.822 -0.705 1.00 0.67 O ATOM 1847 CB GLN A 139 12.072 8.205 -3.082 1.00 0.92 C ATOM 1848 CG GLN A 139 12.769 9.436 -3.635 1.00 1.04 C ATOM 1849 CD GLN A 139 12.691 9.515 -5.146 1.00 1.29 C ATOM 1850 OE1 GLN A 139 11.974 10.513 -5.650 1.00 2.28 O flip ATOM 1851 NE2 GLN A 139 13.268 8.688 -5.853 1.00 1.28 N flip ATOM 0 H GLN A 139 12.191 6.107 -1.758 1.00 0.70 H new ATOM 0 HA GLN A 139 12.751 8.854 -1.155 1.00 0.79 H new ATOM 0 HB2 GLN A 139 12.600 7.315 -3.423 1.00 0.92 H new ATOM 0 HB3 GLN A 139 11.063 8.154 -3.491 1.00 0.92 H new ATOM 0 HG2 GLN A 139 12.318 10.330 -3.204 1.00 1.04 H new ATOM 0 HG3 GLN A 139 13.815 9.427 -3.328 1.00 1.04 H new ATOM 0 HE21 GLN A 139 13.808 7.937 -5.423 1.00 1.28 H new ATOM 0 HE22 GLN A 139 13.206 8.754 -6.869 1.00 1.28 H new ATOM 1858 N ILE A 140 9.636 7.772 -1.129 1.00 0.60 N ATOM 1859 CA ILE A 140 8.283 8.118 -0.700 1.00 0.52 C ATOM 1860 C ILE A 140 8.253 8.370 0.802 1.00 0.47 C ATOM 1861 O ILE A 140 7.439 9.152 1.294 1.00 0.48 O ATOM 1862 CB ILE A 140 7.253 7.014 -1.040 1.00 0.49 C ATOM 1863 CG1 ILE A 140 7.611 6.315 -2.358 1.00 0.57 C ATOM 1864 CG2 ILE A 140 5.854 7.610 -1.111 1.00 0.52 C ATOM 1865 CD1 ILE A 140 6.511 5.424 -2.902 1.00 1.12 C ATOM 0 H ILE A 140 9.747 6.809 -1.447 1.00 0.60 H new ATOM 0 HA ILE A 140 8.006 9.021 -1.244 1.00 0.52 H new ATOM 0 HB ILE A 140 7.276 6.265 -0.249 1.00 0.49 H new ATOM 0 HG12 ILE A 140 7.854 7.071 -3.104 1.00 0.57 H new ATOM 0 HG13 ILE A 140 8.509 5.716 -2.207 1.00 0.57 H new ATOM 0 HG21 ILE A 140 5.136 6.826 -1.351 1.00 0.52 H new ATOM 0 HG22 ILE A 140 5.598 8.054 -0.149 1.00 0.52 H new ATOM 0 HG23 ILE A 140 5.824 8.378 -1.884 1.00 0.52 H new ATOM 0 HD11 ILE A 140 6.841 4.967 -3.835 1.00 1.12 H new ATOM 0 HD12 ILE A 140 6.282 4.644 -2.176 1.00 1.12 H new ATOM 0 HD13 ILE A 140 5.618 6.021 -3.087 1.00 1.12 H new ATOM 1869 N MET A 141 9.148 7.703 1.526 1.00 0.47 N ATOM 1870 CA MET A 141 9.228 7.853 2.974 1.00 0.51 C ATOM 1871 C MET A 141 10.099 9.047 3.356 1.00 0.62 C ATOM 1872 O MET A 141 9.631 9.989 3.996 1.00 0.71 O ATOM 1873 CB MET A 141 9.788 6.579 3.608 1.00 0.51 C ATOM 1874 CG MET A 141 8.944 5.344 3.340 1.00 0.53 C ATOM 1875 SD MET A 141 7.235 5.546 3.871 1.00 1.02 S ATOM 1876 CE MET A 141 6.442 5.957 2.319 1.00 0.44 C ATOM 0 H MET A 141 9.828 7.053 1.132 1.00 0.47 H new ATOM 0 HA MET A 141 8.220 8.029 3.349 1.00 0.51 H new ATOM 0 HB2 MET A 141 10.796 6.408 3.231 1.00 0.51 H new ATOM 0 HB3 MET A 141 9.871 6.725 4.685 1.00 0.51 H new ATOM 0 HG2 MET A 141 8.965 5.118 2.274 1.00 0.53 H new ATOM 0 HG3 MET A 141 9.382 4.490 3.856 1.00 0.53 H new ATOM 0 HE1 MET A 141 5.462 5.483 2.275 1.00 0.44 H new ATOM 0 HE2 MET A 141 6.326 7.038 2.245 1.00 0.44 H new ATOM 0 HE3 MET A 141 7.055 5.600 1.491 1.00 0.44 H new ATOM 1886 N GLN A 142 11.370 8.996 2.966 1.00 0.66 N ATOM 1887 CA GLN A 142 12.309 10.069 3.276 1.00 0.79 C ATOM 1888 C GLN A 142 11.991 11.335 2.483 1.00 0.80 C ATOM 1889 O GLN A 142 12.322 12.441 2.909 1.00 0.85 O ATOM 1890 CB GLN A 142 13.742 9.619 2.984 1.00 0.90 C ATOM 1891 CG GLN A 142 14.774 10.246 3.907 1.00 1.34 C ATOM 1892 CD GLN A 142 15.602 9.212 4.648 1.00 1.47 C ATOM 1893 OE1 GLN A 142 15.883 9.362 5.838 1.00 1.64 O ATOM 1894 NE2 GLN A 142 15.998 8.157 3.946 1.00 1.85 N ATOM 0 H GLN A 142 11.773 8.224 2.435 1.00 0.66 H new ATOM 0 HA GLN A 142 12.211 10.300 4.337 1.00 0.79 H new ATOM 0 HB2 GLN A 142 13.799 8.534 3.072 1.00 0.90 H new ATOM 0 HB3 GLN A 142 13.990 9.868 1.952 1.00 0.90 H new ATOM 0 HG2 GLN A 142 15.436 10.886 3.324 1.00 1.34 H new ATOM 0 HG3 GLN A 142 14.268 10.886 4.630 1.00 1.34 H new ATOM 0 HE21 GLN A 142 15.742 8.074 2.962 1.00 1.85 H new ATOM 0 HE22 GLN A 142 16.558 7.430 4.391 1.00 1.85 H new ATOM 1901 N GLY A 143 11.350 11.170 1.330 1.00 0.79 N ATOM 1902 CA GLY A 143 11.004 12.313 0.502 1.00 0.84 C ATOM 1903 C GLY A 143 10.285 13.401 1.276 1.00 0.81 C ATOM 1904 O GLY A 143 10.341 14.575 0.908 1.00 1.05 O ATOM 0 H GLY A 143 11.064 10.266 0.954 1.00 0.79 H new ATOM 0 HA2 GLY A 143 11.912 12.726 0.062 1.00 0.84 H new ATOM 0 HA3 GLY A 143 10.372 11.981 -0.322 1.00 0.84 H new ATOM 1908 N LEU A 144 9.606 13.012 2.350 1.00 0.75 N ATOM 1909 CA LEU A 144 8.871 13.963 3.177 1.00 0.72 C ATOM 1910 C LEU A 144 9.345 13.923 4.631 1.00 0.87 C ATOM 1911 O LEU A 144 8.898 14.719 5.457 1.00 1.01 O ATOM 1912 CB LEU A 144 7.371 13.672 3.110 1.00 0.62 C ATOM 1913 CG LEU A 144 6.823 13.424 1.704 1.00 0.66 C ATOM 1914 CD1 LEU A 144 6.956 11.956 1.330 1.00 0.58 C ATOM 1915 CD2 LEU A 144 5.371 13.870 1.612 1.00 0.81 C ATOM 0 H LEU A 144 9.549 12.045 2.668 1.00 0.75 H new ATOM 0 HA LEU A 144 9.063 14.962 2.786 1.00 0.72 H new ATOM 0 HB2 LEU A 144 7.158 12.798 3.726 1.00 0.62 H new ATOM 0 HB3 LEU A 144 6.833 14.512 3.550 1.00 0.62 H new ATOM 0 HG LEU A 144 7.409 14.012 0.997 1.00 0.66 H new ATOM 0 HD11 LEU A 144 6.561 11.799 0.326 1.00 0.58 H new ATOM 0 HD12 LEU A 144 8.007 11.668 1.355 1.00 0.58 H new ATOM 0 HD13 LEU A 144 6.396 11.347 2.040 1.00 0.58 H new ATOM 0 HD21 LEU A 144 4.997 13.686 0.605 1.00 0.81 H new ATOM 0 HD22 LEU A 144 4.772 13.309 2.329 1.00 0.81 H new ATOM 0 HD23 LEU A 144 5.302 14.935 1.836 1.00 0.81 H new ATOM 1921 N GLY A 145 10.250 12.997 4.940 1.00 0.91 N ATOM 1922 CA GLY A 145 10.759 12.882 6.294 1.00 1.11 C ATOM 1923 C GLY A 145 9.669 12.573 7.301 1.00 1.11 C ATOM 1924 O GLY A 145 9.181 13.467 7.993 1.00 1.24 O ATOM 0 H GLY A 145 10.638 12.326 4.277 1.00 0.91 H new ATOM 0 HA2 GLY A 145 11.514 12.097 6.329 1.00 1.11 H new ATOM 0 HA3 GLY A 145 11.253 13.813 6.573 1.00 1.11 H new ATOM 1928 N PHE A 146 9.285 11.304 7.382 1.00 1.15 N ATOM 1929 CA PHE A 146 8.245 10.878 8.311 1.00 1.25 C ATOM 1930 C PHE A 146 8.836 10.572 9.683 1.00 1.47 C ATOM 1931 O PHE A 146 8.339 11.059 10.697 1.00 99.99 O ATOM 1932 CB PHE A 146 7.519 9.645 7.768 1.00 1.63 C ATOM 1933 CG PHE A 146 6.815 9.882 6.461 1.00 1.09 C ATOM 1934 CD1 PHE A 146 6.188 11.091 6.201 1.00 1.74 C ATOM 1935 CD2 PHE A 146 6.779 8.893 5.491 1.00 1.15 C ATOM 1936 CE1 PHE A 146 5.539 11.308 5.001 1.00 1.65 C ATOM 1937 CE2 PHE A 146 6.132 9.105 4.289 1.00 1.15 C ATOM 1938 CZ PHE A 146 5.511 10.313 4.043 1.00 0.93 C ATOM 0 H PHE A 146 9.678 10.552 6.816 1.00 1.15 H new ATOM 0 HA PHE A 146 7.530 11.694 8.416 1.00 1.25 H new ATOM 0 HB2 PHE A 146 8.240 8.837 7.641 1.00 1.63 H new ATOM 0 HB3 PHE A 146 6.791 9.309 8.506 1.00 1.63 H new ATOM 0 HD1 PHE A 146 6.207 11.873 6.946 1.00 1.74 H new ATOM 0 HD2 PHE A 146 7.262 7.945 5.677 1.00 1.15 H new ATOM 0 HE1 PHE A 146 5.054 12.254 4.812 1.00 1.65 H new ATOM 0 HE2 PHE A 146 6.112 8.326 3.542 1.00 1.15 H new ATOM 0 HZ PHE A 146 5.004 10.480 3.104 1.00 0.93 H new