USER MOD reduce.3.24.130724 H: found=0, std=0, add=800, rem=0, adj=22 USER MOD reduce.3.24.130724 removed 799 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 40 SER OG : rot 147:sc= 0.451 USER MOD Set 1.2: A 42 ASN : amide:sc= 0.445 X(o=0.9,f=1.1) USER MOD Set 2.1: A 8 SER OG : rot 76:sc= 0.956 USER MOD Set 2.2: A 39 MET CE :methyl 168:sc=-0.00658 (180deg=-0.162) USER MOD Single : A 1 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 1 MET N :NH3+ 164:sc= 0.0963 (180deg=0.0509) USER MOD Single : A 2 SER OG : rot 180:sc= -0.0114 USER MOD Single : A 4 THR OG1 : rot -20:sc= 0.234 USER MOD Single : A 17 GLN : amide:sc= 0 X(o=0,f=-0.0093) USER MOD Single : A 19 CYS SG : rot -61:sc= -0.357 USER MOD Single : A 24 THR OG1 : rot -160:sc= 0 USER MOD Single : A 28 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 29 LYS NZ :NH3+ 172:sc= 1.32 (180deg=1.06) USER MOD Single : A 32 GLN : amide:sc= -0.183 X(o=-0.18,f=0) USER MOD Single : A 33 THR OG1 : rot -153:sc= 1.23 USER MOD Single : A 34 SER OG : rot -179:sc= 1.54 USER MOD Single : A 37 SER OG : rot 180:sc=-0.00966 USER MOD Single : A 38 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 43 GLN : amide:sc= -0.0604 X(o=-0.06,f=-0.47) USER MOD Single : A 45 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 53 ASN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 55 GLN : amide:sc= 1.12 K(o=1.1,f=0) USER MOD Single : A 56 SER OG : rot -29:sc= 1.59 USER MOD Single : A 58 TYR OH : rot 180:sc= 0 USER MOD Single : A 65 LYS NZ :NH3+ 160:sc= 0.964 (180deg=-0.0207) USER MOD Single : A 69 GLN : amide:sc= -0.422 X(o=-0.42,f=0) USER MOD Single : A 70 LYS NZ :NH3+ -179:sc= 1.16 (180deg=1.09) USER MOD Single : A 73 SER OG : rot -18:sc= 1.23 USER MOD Single : A 79 THR OG1 : rot 175:sc= 1.3 USER MOD Single : A 81 SER OG : rot -147:sc= 1.24 USER MOD Single : A 83 THR OG1 : rot -60:sc= 1.24 USER MOD Single : A 84 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 85 SER OG : rot -165:sc= 0.796 USER MOD Single : A 87 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 92 ASN : amide:sc= 1.38 K(o=1.4,f=-0.056) USER MOD Single : A 97 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 104 GLN : amide:sc= 0 X(o=0,f=-0.19) USER MOD Single : A 106 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 108 HIS : no HD1:sc= -0.674 X(o=-0.67,f=-0.31) USER MOD Single : A 109 SER OG : rot -40:sc= 1.22 USER MOD ----------------------------------------------------------------- ATOM 1 N MET A 1 -15.257 1.046 1.476 1.00 5.13 N ATOM 2 CA MET A 1 -16.080 2.071 2.143 1.00 3.54 C ATOM 3 C MET A 1 -15.184 2.862 3.092 1.00 2.54 C ATOM 4 O MET A 1 -14.965 2.415 4.210 1.00 2.98 O ATOM 5 CB MET A 1 -17.235 1.379 2.872 1.00 4.75 C ATOM 6 CG MET A 1 -18.262 2.342 3.482 1.00 5.16 C ATOM 7 SD MET A 1 -19.630 1.492 4.314 1.00 6.17 S ATOM 8 CE MET A 1 -20.637 2.902 4.824 1.00 6.92 C ATOM 0 H1 MET A 1 -15.876 0.332 1.041 1.00 5.13 H new ATOM 0 H2 MET A 1 -14.674 1.494 0.740 1.00 5.13 H new ATOM 0 H3 MET A 1 -14.639 0.588 2.176 1.00 5.13 H new ATOM 0 HA MET A 1 -16.514 2.769 1.427 1.00 3.54 H new ATOM 0 HB2 MET A 1 -17.746 0.716 2.173 1.00 4.75 H new ATOM 0 HB3 MET A 1 -16.826 0.752 3.665 1.00 4.75 H new ATOM 0 HG2 MET A 1 -17.760 2.994 4.196 1.00 5.16 H new ATOM 0 HG3 MET A 1 -18.664 2.981 2.695 1.00 5.16 H new ATOM 0 HE1 MET A 1 -21.521 2.545 5.352 1.00 6.92 H new ATOM 0 HE2 MET A 1 -20.055 3.545 5.484 1.00 6.92 H new ATOM 0 HE3 MET A 1 -20.943 3.468 3.944 1.00 6.92 H new ATOM 20 N SER A 2 -14.603 3.962 2.600 1.00 1.63 N ATOM 21 CA SER A 2 -13.581 4.774 3.257 1.00 1.49 C ATOM 22 C SER A 2 -12.856 5.528 2.143 1.00 1.27 C ATOM 23 O SER A 2 -13.067 6.719 1.958 1.00 1.92 O ATOM 24 CB SER A 2 -12.604 3.928 4.101 1.00 2.49 C ATOM 25 OG SER A 2 -11.444 4.651 4.459 1.00 3.93 O ATOM 0 H SER A 2 -14.850 4.327 1.680 1.00 1.63 H new ATOM 0 HA SER A 2 -14.040 5.461 3.968 1.00 1.49 H new ATOM 0 HB2 SER A 2 -13.109 3.585 5.004 1.00 2.49 H new ATOM 0 HB3 SER A 2 -12.317 3.039 3.539 1.00 2.49 H new ATOM 0 HG SER A 2 -10.854 4.079 4.993 1.00 3.93 H new ATOM 31 N ILE A 3 -12.045 4.808 1.363 1.00 0.64 N ATOM 32 CA ILE A 3 -11.086 5.401 0.428 1.00 0.55 C ATOM 33 C ILE A 3 -11.643 5.473 -0.991 1.00 0.62 C ATOM 34 O ILE A 3 -11.191 6.261 -1.824 1.00 0.60 O ATOM 35 CB ILE A 3 -9.774 4.602 0.465 1.00 0.59 C ATOM 36 CG1 ILE A 3 -9.881 3.221 -0.205 1.00 0.86 C ATOM 37 CG2 ILE A 3 -9.316 4.419 1.912 1.00 0.60 C ATOM 38 CD1 ILE A 3 -9.295 3.226 -1.621 1.00 1.21 C ATOM 0 H ILE A 3 -12.036 3.788 1.363 1.00 0.64 H new ATOM 0 HA ILE A 3 -10.892 6.427 0.741 1.00 0.55 H new ATOM 0 HB ILE A 3 -9.047 5.182 -0.103 1.00 0.59 H new ATOM 0 HG12 ILE A 3 -9.358 2.482 0.402 1.00 0.86 H new ATOM 0 HG13 ILE A 3 -10.927 2.917 -0.246 1.00 0.86 H new ATOM 0 HG21 ILE A 3 -8.385 3.852 1.930 1.00 0.60 H new ATOM 0 HG22 ILE A 3 -9.155 5.395 2.369 1.00 0.60 H new ATOM 0 HG23 ILE A 3 -10.081 3.879 2.470 1.00 0.60 H new ATOM 0 HD11 ILE A 3 -9.391 2.232 -2.058 1.00 1.21 H new ATOM 0 HD12 ILE A 3 -9.835 3.946 -2.236 1.00 1.21 H new ATOM 0 HD13 ILE A 3 -8.242 3.503 -1.578 1.00 1.21 H new ATOM 50 N THR A 4 -12.621 4.608 -1.267 1.00 0.82 N ATOM 51 CA THR A 4 -13.241 4.395 -2.529 1.00 0.99 C ATOM 52 C THR A 4 -14.028 5.625 -2.985 1.00 0.96 C ATOM 53 O THR A 4 -14.412 5.662 -4.150 1.00 1.29 O ATOM 54 CB THR A 4 -14.121 3.145 -2.352 1.00 1.38 C ATOM 55 OG1 THR A 4 -14.628 2.837 -3.601 1.00 1.45 O ATOM 56 CG2 THR A 4 -15.306 3.352 -1.397 1.00 1.96 C ATOM 0 H THR A 4 -13.013 4.004 -0.544 1.00 0.82 H new ATOM 0 HA THR A 4 -12.510 4.236 -3.321 1.00 0.99 H new ATOM 0 HB THR A 4 -13.504 2.357 -1.920 1.00 1.38 H new ATOM 0 HG1 THR A 4 -14.571 3.625 -4.181 1.00 1.45 H new ATOM 0 HG21 THR A 4 -15.879 2.428 -1.323 1.00 1.96 H new ATOM 0 HG22 THR A 4 -14.934 3.628 -0.410 1.00 1.96 H new ATOM 0 HG23 THR A 4 -15.947 4.147 -1.779 1.00 1.96 H new ATOM 64 N ASP A 5 -14.307 6.570 -2.077 1.00 1.00 N ATOM 65 CA ASP A 5 -15.060 7.784 -2.371 1.00 1.08 C ATOM 66 C ASP A 5 -14.343 8.994 -1.757 1.00 1.11 C ATOM 67 O ASP A 5 -14.942 9.835 -1.093 1.00 1.76 O ATOM 68 CB ASP A 5 -16.495 7.601 -1.858 1.00 1.28 C ATOM 69 CG ASP A 5 -17.423 8.732 -2.287 1.00 1.88 C ATOM 70 OD1 ASP A 5 -17.166 9.310 -3.366 1.00 2.86 O ATOM 71 OD2 ASP A 5 -18.406 8.956 -1.549 1.00 2.46 O ATOM 0 H ASP A 5 -14.008 6.506 -1.104 1.00 1.00 H new ATOM 0 HA ASP A 5 -15.116 7.971 -3.443 1.00 1.08 H new ATOM 0 HB2 ASP A 5 -16.890 6.654 -2.226 1.00 1.28 H new ATOM 0 HB3 ASP A 5 -16.482 7.540 -0.770 1.00 1.28 H new ATOM 76 N VAL A 6 -13.019 9.033 -1.938 1.00 0.72 N ATOM 77 CA VAL A 6 -12.143 10.114 -1.484 1.00 0.79 C ATOM 78 C VAL A 6 -11.417 10.717 -2.685 1.00 0.70 C ATOM 79 O VAL A 6 -11.556 11.901 -2.981 1.00 0.73 O ATOM 80 CB VAL A 6 -11.177 9.555 -0.419 1.00 0.87 C ATOM 81 CG1 VAL A 6 -9.947 10.428 -0.150 1.00 1.58 C ATOM 82 CG2 VAL A 6 -11.931 9.386 0.903 1.00 1.30 C ATOM 0 H VAL A 6 -12.513 8.289 -2.420 1.00 0.72 H new ATOM 0 HA VAL A 6 -12.716 10.918 -1.022 1.00 0.79 H new ATOM 0 HB VAL A 6 -10.813 8.609 -0.820 1.00 0.87 H new ATOM 0 HG11 VAL A 6 -9.326 9.957 0.612 1.00 1.58 H new ATOM 0 HG12 VAL A 6 -9.372 10.540 -1.069 1.00 1.58 H new ATOM 0 HG13 VAL A 6 -10.267 11.410 0.199 1.00 1.58 H new ATOM 0 HG21 VAL A 6 -11.254 8.991 1.660 1.00 1.30 H new ATOM 0 HG22 VAL A 6 -12.316 10.353 1.229 1.00 1.30 H new ATOM 0 HG23 VAL A 6 -12.761 8.694 0.762 1.00 1.30 H new ATOM 92 N LEU A 7 -10.618 9.890 -3.356 1.00 0.63 N ATOM 93 CA LEU A 7 -9.751 10.266 -4.463 1.00 0.60 C ATOM 94 C LEU A 7 -9.214 8.950 -5.007 1.00 0.52 C ATOM 95 O LEU A 7 -9.552 8.535 -6.116 1.00 0.43 O ATOM 96 CB LEU A 7 -8.635 11.212 -3.956 1.00 0.73 C ATOM 97 CG LEU A 7 -7.364 11.310 -4.819 1.00 0.84 C ATOM 98 CD1 LEU A 7 -7.652 11.779 -6.248 1.00 1.67 C ATOM 99 CD2 LEU A 7 -6.359 12.266 -4.161 1.00 1.30 C ATOM 0 H LEU A 7 -10.557 8.897 -3.131 1.00 0.63 H new ATOM 0 HA LEU A 7 -10.266 10.817 -5.250 1.00 0.60 H new ATOM 0 HB2 LEU A 7 -9.056 12.212 -3.857 1.00 0.73 H new ATOM 0 HB3 LEU A 7 -8.343 10.889 -2.957 1.00 0.73 H new ATOM 0 HG LEU A 7 -6.947 10.305 -4.884 1.00 0.84 H new ATOM 0 HD11 LEU A 7 -6.719 11.829 -6.809 1.00 1.67 H new ATOM 0 HD12 LEU A 7 -8.330 11.076 -6.732 1.00 1.67 H new ATOM 0 HD13 LEU A 7 -8.113 12.766 -6.221 1.00 1.67 H new ATOM 0 HD21 LEU A 7 -5.462 12.331 -4.777 1.00 1.30 H new ATOM 0 HD22 LEU A 7 -6.806 13.255 -4.066 1.00 1.30 H new ATOM 0 HD23 LEU A 7 -6.094 11.891 -3.172 1.00 1.30 H new ATOM 111 N SER A 8 -8.493 8.258 -4.117 1.00 0.64 N ATOM 112 CA SER A 8 -7.723 7.044 -4.314 1.00 0.58 C ATOM 113 C SER A 8 -8.277 6.067 -5.344 1.00 0.55 C ATOM 114 O SER A 8 -7.499 5.408 -6.017 1.00 0.53 O ATOM 115 CB SER A 8 -7.531 6.355 -2.959 1.00 0.59 C ATOM 116 OG SER A 8 -8.445 6.851 -1.987 1.00 1.20 O ATOM 0 H SER A 8 -8.435 8.573 -3.149 1.00 0.64 H new ATOM 0 HA SER A 8 -6.771 7.359 -4.740 1.00 0.58 H new ATOM 0 HB2 SER A 8 -7.668 5.280 -3.074 1.00 0.59 H new ATOM 0 HB3 SER A 8 -6.509 6.511 -2.612 1.00 0.59 H new ATOM 0 HG SER A 8 -9.335 6.476 -2.153 1.00 1.20 H new ATOM 122 N ALA A 9 -9.596 5.900 -5.430 1.00 0.58 N ATOM 123 CA ALA A 9 -10.223 4.998 -6.387 1.00 0.66 C ATOM 124 C ALA A 9 -9.739 5.223 -7.824 1.00 0.61 C ATOM 125 O ALA A 9 -9.522 4.261 -8.560 1.00 0.68 O ATOM 126 CB ALA A 9 -11.735 5.194 -6.321 1.00 0.80 C ATOM 0 H ALA A 9 -10.261 6.391 -4.833 1.00 0.58 H new ATOM 0 HA ALA A 9 -9.944 3.979 -6.117 1.00 0.66 H new ATOM 0 HB1 ALA A 9 -12.220 4.525 -7.032 1.00 0.80 H new ATOM 0 HB2 ALA A 9 -12.087 4.970 -5.314 1.00 0.80 H new ATOM 0 HB3 ALA A 9 -11.979 6.227 -6.570 1.00 0.80 H new ATOM 132 N ASP A 10 -9.581 6.482 -8.230 1.00 0.58 N ATOM 133 CA ASP A 10 -9.063 6.783 -9.560 1.00 0.66 C ATOM 134 C ASP A 10 -7.589 6.355 -9.619 1.00 0.66 C ATOM 135 O ASP A 10 -7.131 5.658 -10.526 1.00 0.82 O ATOM 136 CB ASP A 10 -9.254 8.284 -9.823 1.00 0.71 C ATOM 137 CG ASP A 10 -9.076 8.644 -11.292 1.00 0.88 C ATOM 138 OD1 ASP A 10 -8.048 8.235 -11.868 1.00 1.90 O ATOM 139 OD2 ASP A 10 -9.982 9.329 -11.816 1.00 1.81 O ATOM 0 H ASP A 10 -9.802 7.301 -7.663 1.00 0.58 H new ATOM 0 HA ASP A 10 -9.596 6.237 -10.339 1.00 0.66 H new ATOM 0 HB2 ASP A 10 -10.250 8.583 -9.497 1.00 0.71 H new ATOM 0 HB3 ASP A 10 -8.539 8.849 -9.224 1.00 0.71 H new ATOM 144 N ASP A 11 -6.858 6.718 -8.568 1.00 0.55 N ATOM 145 CA ASP A 11 -5.417 6.613 -8.479 1.00 0.53 C ATOM 146 C ASP A 11 -5.010 5.143 -8.572 1.00 0.49 C ATOM 147 O ASP A 11 -4.130 4.763 -9.345 1.00 0.49 O ATOM 148 CB ASP A 11 -4.959 7.255 -7.161 1.00 0.59 C ATOM 149 CG ASP A 11 -5.530 8.645 -6.929 1.00 1.30 C ATOM 150 OD1 ASP A 11 -6.767 8.703 -6.767 1.00 2.51 O ATOM 151 OD2 ASP A 11 -4.737 9.610 -6.885 1.00 2.12 O ATOM 0 H ASP A 11 -7.278 7.108 -7.724 1.00 0.55 H new ATOM 0 HA ASP A 11 -4.935 7.140 -9.302 1.00 0.53 H new ATOM 0 HB2 ASP A 11 -5.249 6.609 -6.332 1.00 0.59 H new ATOM 0 HB3 ASP A 11 -3.871 7.313 -7.154 1.00 0.59 H new ATOM 156 N ILE A 12 -5.687 4.292 -7.799 1.00 0.54 N ATOM 157 CA ILE A 12 -5.478 2.866 -7.824 1.00 0.63 C ATOM 158 C ILE A 12 -5.772 2.284 -9.205 1.00 0.71 C ATOM 159 O ILE A 12 -5.065 1.383 -9.641 1.00 0.80 O ATOM 160 CB ILE A 12 -6.259 2.159 -6.715 1.00 0.74 C ATOM 161 CG1 ILE A 12 -7.778 2.228 -6.897 1.00 0.75 C ATOM 162 CG2 ILE A 12 -5.765 2.601 -5.328 1.00 0.77 C ATOM 163 CD1 ILE A 12 -8.556 1.502 -5.804 1.00 0.97 C ATOM 0 H ILE A 12 -6.401 4.590 -7.135 1.00 0.54 H new ATOM 0 HA ILE A 12 -4.422 2.684 -7.622 1.00 0.63 H new ATOM 0 HB ILE A 12 -6.045 1.093 -6.793 1.00 0.74 H new ATOM 0 HG12 ILE A 12 -8.086 3.273 -6.918 1.00 0.75 H new ATOM 0 HG13 ILE A 12 -8.040 1.799 -7.864 1.00 0.75 H new ATOM 0 HG21 ILE A 12 -6.336 2.084 -4.557 1.00 0.77 H new ATOM 0 HG22 ILE A 12 -4.708 2.356 -5.223 1.00 0.77 H new ATOM 0 HG23 ILE A 12 -5.900 3.677 -5.220 1.00 0.77 H new ATOM 0 HD11 ILE A 12 -9.625 1.592 -5.997 1.00 0.97 H new ATOM 0 HD12 ILE A 12 -8.276 0.449 -5.797 1.00 0.97 H new ATOM 0 HD13 ILE A 12 -8.323 1.946 -4.836 1.00 0.97 H new ATOM 175 N ALA A 13 -6.802 2.780 -9.896 1.00 0.75 N ATOM 176 CA ALA A 13 -7.112 2.314 -11.242 1.00 0.94 C ATOM 177 C ALA A 13 -5.923 2.568 -12.172 1.00 0.93 C ATOM 178 O ALA A 13 -5.525 1.675 -12.922 1.00 1.07 O ATOM 179 CB ALA A 13 -8.406 2.951 -11.761 1.00 1.07 C ATOM 0 H ALA A 13 -7.431 3.502 -9.543 1.00 0.75 H new ATOM 0 HA ALA A 13 -7.285 1.238 -11.215 1.00 0.94 H new ATOM 0 HB1 ALA A 13 -8.613 2.586 -12.767 1.00 1.07 H new ATOM 0 HB2 ALA A 13 -9.232 2.686 -11.101 1.00 1.07 H new ATOM 0 HB3 ALA A 13 -8.294 4.035 -11.784 1.00 1.07 H new ATOM 185 N ALA A 14 -5.318 3.760 -12.099 1.00 0.82 N ATOM 186 CA ALA A 14 -4.077 4.020 -12.824 1.00 0.87 C ATOM 187 C ALA A 14 -2.987 3.036 -12.390 1.00 0.76 C ATOM 188 O ALA A 14 -2.426 2.323 -13.226 1.00 0.85 O ATOM 189 CB ALA A 14 -3.620 5.469 -12.636 1.00 0.89 C ATOM 0 H ALA A 14 -5.665 4.548 -11.552 1.00 0.82 H new ATOM 0 HA ALA A 14 -4.266 3.872 -13.887 1.00 0.87 H new ATOM 0 HB1 ALA A 14 -2.694 5.633 -13.187 1.00 0.89 H new ATOM 0 HB2 ALA A 14 -4.389 6.145 -13.010 1.00 0.89 H new ATOM 0 HB3 ALA A 14 -3.451 5.663 -11.577 1.00 0.89 H new ATOM 195 N ALA A 15 -2.719 2.970 -11.079 1.00 0.61 N ATOM 196 CA ALA A 15 -1.689 2.127 -10.488 1.00 0.55 C ATOM 197 C ALA A 15 -1.775 0.694 -11.015 1.00 0.68 C ATOM 198 O ALA A 15 -0.782 0.078 -11.402 1.00 0.72 O ATOM 199 CB ALA A 15 -1.822 2.142 -8.962 1.00 0.48 C ATOM 0 H ALA A 15 -3.230 3.519 -10.388 1.00 0.61 H new ATOM 0 HA ALA A 15 -0.715 2.526 -10.770 1.00 0.55 H new ATOM 0 HB1 ALA A 15 -1.050 1.510 -8.523 1.00 0.48 H new ATOM 0 HB2 ALA A 15 -1.707 3.162 -8.597 1.00 0.48 H new ATOM 0 HB3 ALA A 15 -2.804 1.764 -8.679 1.00 0.48 H new ATOM 205 N LEU A 16 -3.001 0.172 -11.029 1.00 0.78 N ATOM 206 CA LEU A 16 -3.319 -1.169 -11.475 1.00 0.97 C ATOM 207 C LEU A 16 -2.779 -1.382 -12.886 1.00 1.03 C ATOM 208 O LEU A 16 -2.204 -2.429 -13.178 1.00 1.12 O ATOM 209 CB LEU A 16 -4.842 -1.380 -11.391 1.00 1.09 C ATOM 210 CG LEU A 16 -5.376 -2.813 -11.572 1.00 1.74 C ATOM 211 CD1 LEU A 16 -5.315 -3.337 -13.013 1.00 1.97 C ATOM 212 CD2 LEU A 16 -4.705 -3.798 -10.612 1.00 3.75 C ATOM 0 H LEU A 16 -3.821 0.694 -10.719 1.00 0.78 H new ATOM 0 HA LEU A 16 -2.844 -1.911 -10.833 1.00 0.97 H new ATOM 0 HB2 LEU A 16 -5.178 -1.017 -10.420 1.00 1.09 H new ATOM 0 HB3 LEU A 16 -5.310 -0.749 -12.147 1.00 1.09 H new ATOM 0 HG LEU A 16 -6.435 -2.743 -11.323 1.00 1.74 H new ATOM 0 HD11 LEU A 16 -5.711 -4.352 -13.048 1.00 1.97 H new ATOM 0 HD12 LEU A 16 -5.911 -2.693 -13.660 1.00 1.97 H new ATOM 0 HD13 LEU A 16 -4.280 -3.339 -13.356 1.00 1.97 H new ATOM 0 HD21 LEU A 16 -5.111 -4.797 -10.773 1.00 3.75 H new ATOM 0 HD22 LEU A 16 -3.630 -3.809 -10.794 1.00 3.75 H new ATOM 0 HD23 LEU A 16 -4.895 -3.491 -9.584 1.00 3.75 H new ATOM 224 N GLN A 17 -2.959 -0.390 -13.764 1.00 1.02 N ATOM 225 CA GLN A 17 -2.558 -0.526 -15.152 1.00 1.13 C ATOM 226 C GLN A 17 -1.045 -0.340 -15.272 1.00 1.15 C ATOM 227 O GLN A 17 -0.365 -1.160 -15.890 1.00 1.33 O ATOM 228 CB GLN A 17 -3.351 0.440 -16.048 1.00 1.17 C ATOM 229 CG GLN A 17 -3.732 -0.273 -17.355 1.00 1.70 C ATOM 230 CD GLN A 17 -4.427 0.654 -18.347 1.00 1.92 C ATOM 231 OE1 GLN A 17 -3.915 1.716 -18.678 1.00 2.22 O ATOM 232 NE2 GLN A 17 -5.592 0.257 -18.852 1.00 2.97 N ATOM 0 H GLN A 17 -3.379 0.510 -13.531 1.00 1.02 H new ATOM 0 HA GLN A 17 -2.793 -1.531 -15.504 1.00 1.13 H new ATOM 0 HB2 GLN A 17 -4.249 0.779 -15.531 1.00 1.17 H new ATOM 0 HB3 GLN A 17 -2.754 1.326 -16.265 1.00 1.17 H new ATOM 0 HG2 GLN A 17 -2.834 -0.684 -17.816 1.00 1.70 H new ATOM 0 HG3 GLN A 17 -4.388 -1.114 -17.128 1.00 1.70 H new ATOM 0 HE21 GLN A 17 -5.998 -0.632 -18.560 1.00 2.97 H new ATOM 0 HE22 GLN A 17 -6.079 0.842 -19.531 1.00 2.97 H new ATOM 241 N GLU A 18 -0.515 0.732 -14.673 1.00 1.01 N ATOM 242 CA GLU A 18 0.896 1.071 -14.803 1.00 1.04 C ATOM 243 C GLU A 18 1.786 -0.069 -14.274 1.00 1.03 C ATOM 244 O GLU A 18 2.860 -0.322 -14.819 1.00 1.08 O ATOM 245 CB GLU A 18 1.172 2.456 -14.182 1.00 1.00 C ATOM 246 CG GLU A 18 1.496 2.407 -12.688 1.00 1.19 C ATOM 247 CD GLU A 18 1.657 3.793 -12.080 1.00 1.69 C ATOM 248 OE1 GLU A 18 0.624 4.486 -11.938 1.00 3.20 O ATOM 249 OE2 GLU A 18 2.815 4.117 -11.738 1.00 2.08 O ATOM 0 H GLU A 18 -1.049 1.379 -14.092 1.00 1.01 H new ATOM 0 HA GLU A 18 1.163 1.166 -15.856 1.00 1.04 H new ATOM 0 HB2 GLU A 18 2.004 2.922 -14.710 1.00 1.00 H new ATOM 0 HB3 GLU A 18 0.301 3.093 -14.335 1.00 1.00 H new ATOM 0 HG2 GLU A 18 0.702 1.874 -12.165 1.00 1.19 H new ATOM 0 HG3 GLU A 18 2.414 1.839 -12.537 1.00 1.19 H new ATOM 256 N CYS A 19 1.321 -0.787 -13.243 1.00 0.99 N ATOM 257 CA CYS A 19 2.003 -1.934 -12.652 1.00 1.00 C ATOM 258 C CYS A 19 1.278 -3.234 -13.014 1.00 1.07 C ATOM 259 O CYS A 19 1.201 -4.153 -12.197 1.00 1.28 O ATOM 260 CB CYS A 19 2.081 -1.771 -11.127 1.00 1.03 C ATOM 261 SG CYS A 19 3.023 -0.297 -10.675 1.00 1.34 S ATOM 0 H CYS A 19 0.433 -0.575 -12.788 1.00 0.99 H new ATOM 0 HA CYS A 19 3.016 -1.983 -13.052 1.00 1.00 H new ATOM 0 HB2 CYS A 19 1.075 -1.703 -10.714 1.00 1.03 H new ATOM 0 HB3 CYS A 19 2.547 -2.653 -10.688 1.00 1.03 H new ATOM 0 HG CYS A 19 4.241 -0.408 -11.116 1.00 1.34 H new ATOM 267 N ARG A 20 0.741 -3.341 -14.236 1.00 0.98 N ATOM 268 CA ARG A 20 0.051 -4.554 -14.661 1.00 1.07 C ATOM 269 C ARG A 20 1.070 -5.623 -15.056 1.00 0.91 C ATOM 270 O ARG A 20 0.828 -6.822 -14.896 1.00 1.07 O ATOM 271 CB ARG A 20 -0.927 -4.238 -15.797 1.00 1.20 C ATOM 272 CG ARG A 20 -1.832 -5.436 -16.111 1.00 2.04 C ATOM 273 CD ARG A 20 -3.113 -4.969 -16.815 1.00 2.41 C ATOM 274 NE ARG A 20 -4.055 -6.084 -17.010 1.00 3.62 N ATOM 275 CZ ARG A 20 -4.010 -6.980 -18.009 1.00 4.25 C ATOM 276 NH1 ARG A 20 -3.048 -6.901 -18.934 1.00 4.56 N ATOM 277 NH2 ARG A 20 -4.928 -7.953 -18.072 1.00 5.36 N ATOM 0 H ARG A 20 0.773 -2.604 -14.940 1.00 0.98 H new ATOM 0 HA ARG A 20 -0.535 -4.950 -13.832 1.00 1.07 H new ATOM 0 HB2 ARG A 20 -1.540 -3.380 -15.522 1.00 1.20 H new ATOM 0 HB3 ARG A 20 -0.370 -3.958 -16.691 1.00 1.20 H new ATOM 0 HG2 ARG A 20 -1.300 -6.146 -16.744 1.00 2.04 H new ATOM 0 HG3 ARG A 20 -2.086 -5.959 -15.189 1.00 2.04 H new ATOM 0 HD2 ARG A 20 -3.590 -4.187 -16.225 1.00 2.41 H new ATOM 0 HD3 ARG A 20 -2.860 -4.531 -17.781 1.00 2.41 H new ATOM 0 HE ARG A 20 -4.806 -6.184 -16.327 1.00 3.62 H new ATOM 0 HH11 ARG A 20 -2.349 -6.160 -18.881 1.00 4.56 H new ATOM 0 HH12 ARG A 20 -3.013 -7.581 -19.693 1.00 4.56 H new ATOM 0 HH21 ARG A 20 -5.658 -8.012 -17.362 1.00 5.36 H new ATOM 0 HH22 ARG A 20 -4.897 -8.635 -18.830 1.00 5.36 H new ATOM 291 N ASP A 21 2.216 -5.182 -15.562 1.00 0.77 N ATOM 292 CA ASP A 21 3.317 -6.046 -15.936 1.00 0.76 C ATOM 293 C ASP A 21 4.027 -6.556 -14.669 1.00 0.74 C ATOM 294 O ASP A 21 4.065 -5.846 -13.662 1.00 0.63 O ATOM 295 CB ASP A 21 4.237 -5.246 -16.868 1.00 0.73 C ATOM 296 CG ASP A 21 3.744 -5.180 -18.311 1.00 1.04 C ATOM 297 OD1 ASP A 21 2.663 -5.741 -18.594 1.00 1.92 O ATOM 298 OD2 ASP A 21 4.467 -4.549 -19.111 1.00 2.05 O ATOM 0 H ASP A 21 2.404 -4.193 -15.725 1.00 0.77 H new ATOM 0 HA ASP A 21 2.978 -6.933 -16.471 1.00 0.76 H new ATOM 0 HB2 ASP A 21 4.338 -4.232 -16.481 1.00 0.73 H new ATOM 0 HB3 ASP A 21 5.231 -5.693 -16.853 1.00 0.73 H new ATOM 303 N PRO A 22 4.528 -7.803 -14.671 1.00 0.94 N ATOM 304 CA PRO A 22 5.146 -8.423 -13.507 1.00 1.07 C ATOM 305 C PRO A 22 6.417 -7.684 -13.104 1.00 1.01 C ATOM 306 O PRO A 22 7.155 -7.213 -13.966 1.00 1.31 O ATOM 307 CB PRO A 22 5.412 -9.877 -13.900 1.00 1.33 C ATOM 308 CG PRO A 22 5.573 -9.801 -15.417 1.00 1.32 C ATOM 309 CD PRO A 22 4.586 -8.701 -15.813 1.00 1.11 C ATOM 0 HA PRO A 22 4.500 -8.378 -12.630 1.00 1.07 H new ATOM 0 HB2 PRO A 22 6.309 -10.267 -13.418 1.00 1.33 H new ATOM 0 HB3 PRO A 22 4.587 -10.529 -13.614 1.00 1.33 H new ATOM 0 HG2 PRO A 22 6.594 -9.549 -15.702 1.00 1.32 H new ATOM 0 HG3 PRO A 22 5.333 -10.750 -15.896 1.00 1.32 H new ATOM 0 HD2 PRO A 22 4.921 -8.177 -16.708 1.00 1.11 H new ATOM 0 HD3 PRO A 22 3.603 -9.117 -16.036 1.00 1.11 H new ATOM 317 N ASP A 23 6.629 -7.544 -11.790 1.00 0.84 N ATOM 318 CA ASP A 23 7.799 -6.924 -11.195 1.00 0.83 C ATOM 319 C ASP A 23 7.951 -5.431 -11.565 1.00 0.69 C ATOM 320 O ASP A 23 8.969 -4.826 -11.236 1.00 0.97 O ATOM 321 CB ASP A 23 9.073 -7.746 -11.494 1.00 1.07 C ATOM 322 CG ASP A 23 8.966 -9.233 -11.150 1.00 1.33 C ATOM 323 OD1 ASP A 23 8.424 -9.983 -11.991 1.00 2.41 O ATOM 324 OD2 ASP A 23 9.455 -9.616 -10.062 1.00 2.39 O ATOM 0 H ASP A 23 5.961 -7.874 -11.094 1.00 0.84 H new ATOM 0 HA ASP A 23 7.649 -6.933 -10.115 1.00 0.83 H new ATOM 0 HB2 ASP A 23 9.313 -7.648 -12.553 1.00 1.07 H new ATOM 0 HB3 ASP A 23 9.906 -7.317 -10.937 1.00 1.07 H new ATOM 329 N THR A 24 6.938 -4.796 -12.177 1.00 0.58 N ATOM 330 CA THR A 24 6.959 -3.394 -12.623 1.00 0.55 C ATOM 331 C THR A 24 6.393 -2.464 -11.539 1.00 0.60 C ATOM 332 O THR A 24 5.992 -1.325 -11.805 1.00 1.12 O ATOM 333 CB THR A 24 6.160 -3.289 -13.931 1.00 0.62 C ATOM 334 OG1 THR A 24 6.677 -4.250 -14.813 1.00 0.80 O ATOM 335 CG2 THR A 24 6.250 -1.937 -14.651 1.00 0.75 C ATOM 0 H THR A 24 6.053 -5.260 -12.381 1.00 0.58 H new ATOM 0 HA THR A 24 7.986 -3.076 -12.802 1.00 0.55 H new ATOM 0 HB THR A 24 5.114 -3.430 -13.659 1.00 0.62 H new ATOM 0 HG1 THR A 24 6.431 -4.016 -15.732 1.00 0.80 H new ATOM 0 HG21 THR A 24 5.651 -1.969 -15.561 1.00 0.75 H new ATOM 0 HG22 THR A 24 5.874 -1.151 -13.997 1.00 0.75 H new ATOM 0 HG23 THR A 24 7.289 -1.730 -14.907 1.00 0.75 H new ATOM 343 N PHE A 25 6.300 -2.971 -10.310 1.00 0.56 N ATOM 344 CA PHE A 25 5.799 -2.242 -9.169 1.00 0.59 C ATOM 345 C PHE A 25 7.011 -1.762 -8.389 1.00 0.68 C ATOM 346 O PHE A 25 7.715 -2.583 -7.810 1.00 1.09 O ATOM 347 CB PHE A 25 4.905 -3.182 -8.356 1.00 0.78 C ATOM 348 CG PHE A 25 4.000 -2.547 -7.319 1.00 1.07 C ATOM 349 CD1 PHE A 25 4.548 -1.963 -6.160 1.00 2.14 C ATOM 350 CD2 PHE A 25 2.607 -2.734 -7.409 1.00 1.69 C ATOM 351 CE1 PHE A 25 3.710 -1.594 -5.095 1.00 2.68 C ATOM 352 CE2 PHE A 25 1.777 -2.408 -6.324 1.00 2.21 C ATOM 353 CZ PHE A 25 2.332 -1.854 -5.160 1.00 2.40 C ATOM 0 H PHE A 25 6.581 -3.926 -10.086 1.00 0.56 H new ATOM 0 HA PHE A 25 5.195 -1.377 -9.443 1.00 0.59 H new ATOM 0 HB2 PHE A 25 4.281 -3.742 -9.052 1.00 0.78 H new ATOM 0 HB3 PHE A 25 5.545 -3.904 -7.850 1.00 0.78 H new ATOM 0 HD1 PHE A 25 5.613 -1.799 -6.090 1.00 2.14 H new ATOM 0 HD2 PHE A 25 2.175 -3.130 -8.316 1.00 1.69 H new ATOM 0 HE1 PHE A 25 4.127 -1.109 -4.224 1.00 2.68 H new ATOM 0 HE2 PHE A 25 0.713 -2.583 -6.385 1.00 2.21 H new ATOM 0 HZ PHE A 25 1.699 -1.628 -4.315 1.00 2.40 H new ATOM 363 N GLU A 26 7.234 -0.450 -8.359 1.00 0.55 N ATOM 364 CA GLU A 26 8.180 0.194 -7.461 1.00 0.53 C ATOM 365 C GLU A 26 7.389 0.880 -6.342 1.00 0.49 C ATOM 366 O GLU A 26 6.271 1.348 -6.578 1.00 0.51 O ATOM 367 CB GLU A 26 9.071 1.200 -8.207 1.00 0.64 C ATOM 368 CG GLU A 26 9.871 0.563 -9.347 1.00 1.07 C ATOM 369 CD GLU A 26 9.104 0.675 -10.650 1.00 3.05 C ATOM 370 OE1 GLU A 26 9.029 1.803 -11.184 1.00 3.36 O ATOM 371 OE2 GLU A 26 8.461 -0.306 -11.071 1.00 4.86 O ATOM 0 H GLU A 26 6.750 0.206 -8.973 1.00 0.55 H new ATOM 0 HA GLU A 26 8.848 -0.556 -7.037 1.00 0.53 H new ATOM 0 HB2 GLU A 26 8.448 1.999 -8.610 1.00 0.64 H new ATOM 0 HB3 GLU A 26 9.761 1.660 -7.499 1.00 0.64 H new ATOM 0 HG2 GLU A 26 10.838 1.056 -9.442 1.00 1.07 H new ATOM 0 HG3 GLU A 26 10.068 -0.485 -9.121 1.00 1.07 H new ATOM 378 N PRO A 27 7.952 0.950 -5.127 1.00 0.48 N ATOM 379 CA PRO A 27 7.267 1.499 -3.972 1.00 0.48 C ATOM 380 C PRO A 27 6.921 2.969 -4.184 1.00 0.44 C ATOM 381 O PRO A 27 5.748 3.329 -4.185 1.00 0.39 O ATOM 382 CB PRO A 27 8.218 1.308 -2.791 1.00 0.53 C ATOM 383 CG PRO A 27 9.593 1.062 -3.417 1.00 0.57 C ATOM 384 CD PRO A 27 9.272 0.461 -4.776 1.00 0.52 C ATOM 0 HA PRO A 27 6.317 0.995 -3.794 1.00 0.48 H new ATOM 0 HB2 PRO A 27 8.230 2.189 -2.149 1.00 0.53 H new ATOM 0 HB3 PRO A 27 7.911 0.466 -2.171 1.00 0.53 H new ATOM 0 HG2 PRO A 27 10.160 1.988 -3.513 1.00 0.57 H new ATOM 0 HG3 PRO A 27 10.192 0.383 -2.811 1.00 0.57 H new ATOM 0 HD2 PRO A 27 10.010 0.761 -5.520 1.00 0.52 H new ATOM 0 HD3 PRO A 27 9.286 -0.628 -4.734 1.00 0.52 H new ATOM 392 N GLN A 28 7.938 3.819 -4.346 1.00 0.51 N ATOM 393 CA GLN A 28 7.765 5.264 -4.424 1.00 0.49 C ATOM 394 C GLN A 28 6.844 5.644 -5.592 1.00 0.44 C ATOM 395 O GLN A 28 5.970 6.499 -5.447 1.00 0.47 O ATOM 396 CB GLN A 28 9.136 5.948 -4.497 1.00 0.54 C ATOM 397 CG GLN A 28 9.882 5.783 -3.164 1.00 0.83 C ATOM 398 CD GLN A 28 11.300 6.335 -3.238 1.00 1.01 C ATOM 399 OE1 GLN A 28 12.248 5.588 -3.449 1.00 2.20 O ATOM 400 NE2 GLN A 28 11.462 7.643 -3.061 1.00 1.13 N ATOM 0 H GLN A 28 8.909 3.518 -4.427 1.00 0.51 H new ATOM 0 HA GLN A 28 7.271 5.621 -3.520 1.00 0.49 H new ATOM 0 HB2 GLN A 28 9.724 5.516 -5.307 1.00 0.54 H new ATOM 0 HB3 GLN A 28 9.011 7.007 -4.724 1.00 0.54 H new ATOM 0 HG2 GLN A 28 9.333 6.296 -2.374 1.00 0.83 H new ATOM 0 HG3 GLN A 28 9.916 4.727 -2.895 1.00 0.83 H new ATOM 0 HE21 GLN A 28 10.652 8.238 -2.887 1.00 1.13 H new ATOM 0 HE22 GLN A 28 12.396 8.051 -3.099 1.00 1.13 H new ATOM 409 N LYS A 29 7.020 4.956 -6.725 1.00 0.42 N ATOM 410 CA LYS A 29 6.123 5.009 -7.871 1.00 0.39 C ATOM 411 C LYS A 29 4.686 4.778 -7.390 1.00 0.36 C ATOM 412 O LYS A 29 3.883 5.709 -7.371 1.00 0.37 O ATOM 413 CB LYS A 29 6.596 3.947 -8.882 1.00 0.42 C ATOM 414 CG LYS A 29 5.893 3.900 -10.254 1.00 0.56 C ATOM 415 CD LYS A 29 5.390 2.482 -10.613 1.00 2.84 C ATOM 416 CE LYS A 29 5.557 2.113 -12.099 1.00 3.50 C ATOM 417 NZ LYS A 29 6.740 1.254 -12.354 1.00 4.96 N ATOM 0 H LYS A 29 7.814 4.332 -6.868 1.00 0.42 H new ATOM 0 HA LYS A 29 6.139 5.981 -8.364 1.00 0.39 H new ATOM 0 HB2 LYS A 29 7.661 4.100 -9.056 1.00 0.42 H new ATOM 0 HB3 LYS A 29 6.487 2.968 -8.416 1.00 0.42 H new ATOM 0 HG2 LYS A 29 5.050 4.591 -10.251 1.00 0.56 H new ATOM 0 HG3 LYS A 29 6.583 4.243 -11.024 1.00 0.56 H new ATOM 0 HD2 LYS A 29 5.927 1.753 -10.006 1.00 2.84 H new ATOM 0 HD3 LYS A 29 4.336 2.404 -10.346 1.00 2.84 H new ATOM 0 HE2 LYS A 29 4.660 1.598 -12.443 1.00 3.50 H new ATOM 0 HE3 LYS A 29 5.645 3.027 -12.687 1.00 3.50 H new ATOM 0 HZ1 LYS A 29 6.726 0.928 -13.341 1.00 4.96 H new ATOM 0 HZ2 LYS A 29 7.609 1.799 -12.182 1.00 4.96 H new ATOM 0 HZ3 LYS A 29 6.716 0.432 -11.717 1.00 4.96 H new ATOM 431 N PHE A 30 4.374 3.553 -6.954 1.00 0.42 N ATOM 432 CA PHE A 30 3.026 3.155 -6.561 1.00 0.48 C ATOM 433 C PHE A 30 2.427 4.098 -5.509 1.00 0.52 C ATOM 434 O PHE A 30 1.262 4.477 -5.582 1.00 0.62 O ATOM 435 CB PHE A 30 3.060 1.715 -6.039 1.00 0.54 C ATOM 436 CG PHE A 30 1.694 1.211 -5.634 1.00 0.72 C ATOM 437 CD1 PHE A 30 0.831 0.684 -6.611 1.00 2.31 C ATOM 438 CD2 PHE A 30 1.247 1.360 -4.307 1.00 1.71 C ATOM 439 CE1 PHE A 30 -0.480 0.315 -6.265 1.00 2.46 C ATOM 440 CE2 PHE A 30 -0.077 1.029 -3.972 1.00 1.75 C ATOM 441 CZ PHE A 30 -0.945 0.533 -4.959 1.00 1.16 C ATOM 0 H PHE A 30 5.061 2.804 -6.865 1.00 0.42 H new ATOM 0 HA PHE A 30 2.382 3.216 -7.438 1.00 0.48 H new ATOM 0 HB2 PHE A 30 3.470 1.063 -6.810 1.00 0.54 H new ATOM 0 HB3 PHE A 30 3.732 1.659 -5.183 1.00 0.54 H new ATOM 0 HD1 PHE A 30 1.176 0.563 -7.627 1.00 2.31 H new ATOM 0 HD2 PHE A 30 1.921 1.728 -3.548 1.00 1.71 H new ATOM 0 HE1 PHE A 30 -1.128 -0.135 -7.002 1.00 2.46 H new ATOM 0 HE2 PHE A 30 -0.426 1.156 -2.958 1.00 1.75 H new ATOM 0 HZ PHE A 30 -1.974 0.319 -4.712 1.00 1.16 H new ATOM 451 N PHE A 31 3.239 4.462 -4.521 1.00 0.53 N ATOM 452 CA PHE A 31 2.949 5.383 -3.438 1.00 0.58 C ATOM 453 C PHE A 31 2.379 6.684 -3.998 1.00 0.56 C ATOM 454 O PHE A 31 1.261 7.084 -3.655 1.00 0.70 O ATOM 455 CB PHE A 31 4.258 5.610 -2.657 1.00 0.77 C ATOM 456 CG PHE A 31 4.392 6.930 -1.929 1.00 1.45 C ATOM 457 CD1 PHE A 31 3.322 7.384 -1.152 1.00 2.97 C ATOM 458 CD2 PHE A 31 5.523 7.755 -2.110 1.00 2.82 C ATOM 459 CE1 PHE A 31 3.345 8.682 -0.630 1.00 4.47 C ATOM 460 CE2 PHE A 31 5.609 8.988 -1.440 1.00 4.21 C ATOM 461 CZ PHE A 31 4.522 9.444 -0.681 1.00 4.78 C ATOM 0 H PHE A 31 4.187 4.090 -4.456 1.00 0.53 H new ATOM 0 HA PHE A 31 2.196 4.977 -2.763 1.00 0.58 H new ATOM 0 HB2 PHE A 31 4.364 4.807 -1.928 1.00 0.77 H new ATOM 0 HB3 PHE A 31 5.091 5.519 -3.354 1.00 0.77 H new ATOM 0 HD1 PHE A 31 2.481 6.735 -0.955 1.00 2.97 H new ATOM 0 HD2 PHE A 31 6.323 7.439 -2.763 1.00 2.82 H new ATOM 0 HE1 PHE A 31 2.453 9.099 -0.186 1.00 4.47 H new ATOM 0 HE2 PHE A 31 6.509 9.581 -1.510 1.00 4.21 H new ATOM 0 HZ PHE A 31 4.590 10.376 -0.139 1.00 4.78 H new ATOM 471 N GLN A 32 3.156 7.346 -4.858 1.00 0.47 N ATOM 472 CA GLN A 32 2.764 8.621 -5.414 1.00 0.52 C ATOM 473 C GLN A 32 1.529 8.399 -6.271 1.00 0.53 C ATOM 474 O GLN A 32 0.551 9.133 -6.165 1.00 0.64 O ATOM 475 CB GLN A 32 3.925 9.216 -6.222 1.00 0.57 C ATOM 476 CG GLN A 32 3.575 10.599 -6.802 1.00 1.42 C ATOM 477 CD GLN A 32 3.736 10.666 -8.319 1.00 2.47 C ATOM 478 OE1 GLN A 32 4.491 11.488 -8.828 1.00 2.98 O ATOM 479 NE2 GLN A 32 3.022 9.822 -9.059 1.00 3.79 N ATOM 0 H GLN A 32 4.063 7.009 -5.179 1.00 0.47 H new ATOM 0 HA GLN A 32 2.524 9.336 -4.627 1.00 0.52 H new ATOM 0 HB2 GLN A 32 4.804 9.303 -5.584 1.00 0.57 H new ATOM 0 HB3 GLN A 32 4.186 8.538 -7.034 1.00 0.57 H new ATOM 0 HG2 GLN A 32 2.547 10.848 -6.540 1.00 1.42 H new ATOM 0 HG3 GLN A 32 4.213 11.353 -6.340 1.00 1.42 H new ATOM 0 HE21 GLN A 32 2.402 9.149 -8.609 1.00 3.79 H new ATOM 0 HE22 GLN A 32 3.095 9.848 -10.076 1.00 3.79 H new ATOM 488 N THR A 33 1.581 7.386 -7.133 1.00 0.44 N ATOM 489 CA THR A 33 0.583 7.144 -8.128 1.00 0.47 C ATOM 490 C THR A 33 -0.774 6.829 -7.537 1.00 0.52 C ATOM 491 O THR A 33 -1.782 7.236 -8.097 1.00 0.69 O ATOM 492 CB THR A 33 1.091 6.028 -9.028 1.00 0.41 C ATOM 493 OG1 THR A 33 0.927 6.550 -10.292 1.00 0.52 O ATOM 494 CG2 THR A 33 0.358 4.683 -8.916 1.00 0.39 C ATOM 0 H THR A 33 2.341 6.706 -7.145 1.00 0.44 H new ATOM 0 HA THR A 33 0.424 8.052 -8.709 1.00 0.47 H new ATOM 0 HB THR A 33 2.112 5.768 -8.750 1.00 0.41 H new ATOM 0 HG1 THR A 33 0.812 5.820 -10.935 1.00 0.52 H new ATOM 0 HG21 THR A 33 0.807 3.966 -9.603 1.00 0.39 H new ATOM 0 HG22 THR A 33 0.440 4.308 -7.896 1.00 0.39 H new ATOM 0 HG23 THR A 33 -0.693 4.819 -9.169 1.00 0.39 H new ATOM 502 N SER A 34 -0.790 6.119 -6.407 1.00 0.51 N ATOM 503 CA SER A 34 -2.010 5.800 -5.694 1.00 0.63 C ATOM 504 C SER A 34 -2.521 7.018 -4.918 1.00 0.77 C ATOM 505 O SER A 34 -3.506 6.919 -4.188 1.00 1.15 O ATOM 506 CB SER A 34 -1.776 4.586 -4.796 1.00 0.72 C ATOM 507 OG SER A 34 -1.335 3.503 -5.585 1.00 2.06 O ATOM 0 H SER A 34 0.053 5.751 -5.965 1.00 0.51 H new ATOM 0 HA SER A 34 -2.793 5.539 -6.406 1.00 0.63 H new ATOM 0 HB2 SER A 34 -1.034 4.821 -4.033 1.00 0.72 H new ATOM 0 HB3 SER A 34 -2.696 4.321 -4.275 1.00 0.72 H new ATOM 0 HG SER A 34 -1.196 2.718 -5.015 1.00 2.06 H new ATOM 513 N GLY A 35 -1.834 8.160 -5.049 1.00 0.60 N ATOM 514 CA GLY A 35 -2.318 9.447 -4.562 1.00 0.70 C ATOM 515 C GLY A 35 -2.091 9.582 -3.064 1.00 0.56 C ATOM 516 O GLY A 35 -2.546 10.527 -2.418 1.00 0.68 O ATOM 0 H GLY A 35 -0.921 8.211 -5.500 1.00 0.60 H new ATOM 0 HA2 GLY A 35 -1.806 10.254 -5.085 1.00 0.70 H new ATOM 0 HA3 GLY A 35 -3.381 9.548 -4.783 1.00 0.70 H new ATOM 520 N LEU A 36 -1.344 8.646 -2.488 1.00 0.54 N ATOM 521 CA LEU A 36 -1.177 8.576 -1.058 1.00 0.50 C ATOM 522 C LEU A 36 -0.246 9.699 -0.588 1.00 0.52 C ATOM 523 O LEU A 36 -0.353 10.162 0.544 1.00 0.50 O ATOM 524 CB LEU A 36 -0.686 7.178 -0.700 1.00 0.53 C ATOM 525 CG LEU A 36 -1.516 6.015 -1.266 1.00 0.92 C ATOM 526 CD1 LEU A 36 -0.910 4.689 -0.792 1.00 1.29 C ATOM 527 CD2 LEU A 36 -2.989 6.075 -0.850 1.00 1.42 C ATOM 0 H LEU A 36 -0.844 7.922 -3.004 1.00 0.54 H new ATOM 0 HA LEU A 36 -2.121 8.733 -0.536 1.00 0.50 H new ATOM 0 HB2 LEU A 36 0.340 7.072 -1.051 1.00 0.53 H new ATOM 0 HB3 LEU A 36 -0.662 7.088 0.386 1.00 0.53 H new ATOM 0 HG LEU A 36 -1.486 6.094 -2.353 1.00 0.92 H new ATOM 0 HD11 LEU A 36 -1.494 3.859 -1.190 1.00 1.29 H new ATOM 0 HD12 LEU A 36 0.118 4.612 -1.146 1.00 1.29 H new ATOM 0 HD13 LEU A 36 -0.923 4.652 0.297 1.00 1.29 H new ATOM 0 HD21 LEU A 36 -3.523 5.228 -1.280 1.00 1.42 H new ATOM 0 HD22 LEU A 36 -3.062 6.036 0.237 1.00 1.42 H new ATOM 0 HD23 LEU A 36 -3.431 7.004 -1.210 1.00 1.42 H new ATOM 539 N SER A 37 0.613 10.199 -1.484 1.00 0.64 N ATOM 540 CA SER A 37 1.388 11.413 -1.260 1.00 0.84 C ATOM 541 C SER A 37 0.477 12.641 -1.183 1.00 0.89 C ATOM 542 O SER A 37 0.849 13.654 -0.597 1.00 1.06 O ATOM 543 CB SER A 37 2.358 11.582 -2.432 1.00 1.13 C ATOM 544 OG SER A 37 1.639 11.491 -3.649 1.00 2.57 O ATOM 0 H SER A 37 0.787 9.765 -2.390 1.00 0.64 H new ATOM 0 HA SER A 37 1.924 11.326 -0.315 1.00 0.84 H new ATOM 0 HB2 SER A 37 2.863 12.546 -2.365 1.00 1.13 H new ATOM 0 HB3 SER A 37 3.130 10.814 -2.394 1.00 1.13 H new ATOM 0 HG SER A 37 2.256 11.600 -4.402 1.00 2.57 H new ATOM 550 N LYS A 38 -0.697 12.571 -1.817 1.00 0.84 N ATOM 551 CA LYS A 38 -1.648 13.662 -1.879 1.00 1.02 C ATOM 552 C LYS A 38 -2.526 13.597 -0.639 1.00 0.93 C ATOM 553 O LYS A 38 -2.933 14.643 -0.139 1.00 1.09 O ATOM 554 CB LYS A 38 -2.479 13.570 -3.174 1.00 1.15 C ATOM 555 CG LYS A 38 -2.330 14.810 -4.061 1.00 1.42 C ATOM 556 CD LYS A 38 -0.920 14.910 -4.662 1.00 1.91 C ATOM 557 CE LYS A 38 -0.845 16.097 -5.632 1.00 2.63 C ATOM 558 NZ LYS A 38 0.504 16.253 -6.214 1.00 3.81 N ATOM 0 H LYS A 38 -1.010 11.734 -2.308 1.00 0.84 H new ATOM 0 HA LYS A 38 -1.132 14.622 -1.899 1.00 1.02 H new ATOM 0 HB2 LYS A 38 -2.173 12.688 -3.736 1.00 1.15 H new ATOM 0 HB3 LYS A 38 -3.530 13.436 -2.918 1.00 1.15 H new ATOM 0 HG2 LYS A 38 -3.066 14.774 -4.864 1.00 1.42 H new ATOM 0 HG3 LYS A 38 -2.540 15.705 -3.475 1.00 1.42 H new ATOM 0 HD2 LYS A 38 -0.185 15.033 -3.867 1.00 1.91 H new ATOM 0 HD3 LYS A 38 -0.672 13.986 -5.185 1.00 1.91 H new ATOM 0 HE2 LYS A 38 -1.571 15.957 -6.433 1.00 2.63 H new ATOM 0 HE3 LYS A 38 -1.121 17.012 -5.107 1.00 2.63 H new ATOM 0 HZ1 LYS A 38 0.510 17.066 -6.863 1.00 3.81 H new ATOM 0 HZ2 LYS A 38 1.194 16.412 -5.453 1.00 3.81 H new ATOM 0 HZ3 LYS A 38 0.758 15.391 -6.737 1.00 3.81 H new ATOM 572 N MET A 39 -2.817 12.382 -0.154 1.00 0.70 N ATOM 573 CA MET A 39 -3.703 12.218 0.993 1.00 0.76 C ATOM 574 C MET A 39 -3.388 13.141 2.188 1.00 1.17 C ATOM 575 O MET A 39 -4.219 13.983 2.520 1.00 3.23 O ATOM 576 CB MET A 39 -3.725 10.751 1.410 1.00 0.50 C ATOM 577 CG MET A 39 -4.726 9.953 0.579 1.00 0.88 C ATOM 578 SD MET A 39 -4.915 8.245 1.128 1.00 2.70 S ATOM 579 CE MET A 39 -6.296 7.777 0.070 1.00 3.70 C ATOM 0 H MET A 39 -2.453 11.510 -0.538 1.00 0.70 H new ATOM 0 HA MET A 39 -4.695 12.530 0.667 1.00 0.76 H new ATOM 0 HB2 MET A 39 -2.729 10.323 1.294 1.00 0.50 H new ATOM 0 HB3 MET A 39 -3.983 10.675 2.466 1.00 0.50 H new ATOM 0 HG2 MET A 39 -5.696 10.449 0.618 1.00 0.88 H new ATOM 0 HG3 MET A 39 -4.407 9.958 -0.463 1.00 0.88 H new ATOM 0 HE1 MET A 39 -6.429 6.696 0.103 1.00 3.70 H new ATOM 0 HE2 MET A 39 -7.205 8.265 0.421 1.00 3.70 H new ATOM 0 HE3 MET A 39 -6.090 8.086 -0.955 1.00 3.70 H new ATOM 589 N SER A 40 -2.236 12.952 2.853 1.00 0.98 N ATOM 590 CA SER A 40 -1.776 13.590 4.094 1.00 0.79 C ATOM 591 C SER A 40 -1.695 12.517 5.174 1.00 0.62 C ATOM 592 O SER A 40 -2.606 11.699 5.273 1.00 0.45 O ATOM 593 CB SER A 40 -2.677 14.734 4.601 1.00 0.88 C ATOM 594 OG SER A 40 -2.206 15.269 5.828 1.00 1.94 O ATOM 0 H SER A 40 -1.543 12.290 2.503 1.00 0.98 H new ATOM 0 HA SER A 40 -0.810 14.043 3.874 1.00 0.79 H new ATOM 0 HB2 SER A 40 -2.718 15.524 3.851 1.00 0.88 H new ATOM 0 HB3 SER A 40 -3.694 14.365 4.732 1.00 0.88 H new ATOM 0 HG SER A 40 -2.406 16.228 5.865 1.00 1.94 H new ATOM 600 N ALA A 41 -0.653 12.560 6.017 1.00 0.74 N ATOM 601 CA ALA A 41 -0.479 11.700 7.187 1.00 0.62 C ATOM 602 C ALA A 41 -1.796 11.414 7.910 1.00 0.54 C ATOM 603 O ALA A 41 -2.034 10.290 8.347 1.00 0.51 O ATOM 604 CB ALA A 41 0.494 12.359 8.165 1.00 0.74 C ATOM 0 H ALA A 41 0.116 13.219 5.895 1.00 0.74 H new ATOM 0 HA ALA A 41 -0.086 10.748 6.830 1.00 0.62 H new ATOM 0 HB1 ALA A 41 0.624 11.718 9.037 1.00 0.74 H new ATOM 0 HB2 ALA A 41 1.457 12.506 7.676 1.00 0.74 H new ATOM 0 HB3 ALA A 41 0.096 13.324 8.480 1.00 0.74 H new ATOM 610 N ASN A 42 -2.648 12.439 8.025 1.00 0.66 N ATOM 611 CA ASN A 42 -3.934 12.337 8.703 1.00 0.77 C ATOM 612 C ASN A 42 -4.766 11.229 8.064 1.00 0.65 C ATOM 613 O ASN A 42 -5.138 10.242 8.700 1.00 0.75 O ATOM 614 CB ASN A 42 -4.708 13.662 8.607 1.00 0.93 C ATOM 615 CG ASN A 42 -3.956 14.843 9.205 1.00 1.34 C ATOM 616 OD1 ASN A 42 -3.877 14.985 10.419 1.00 1.67 O ATOM 617 ND2 ASN A 42 -3.403 15.706 8.356 1.00 2.11 N ATOM 0 H ASN A 42 -2.458 13.367 7.646 1.00 0.66 H new ATOM 0 HA ASN A 42 -3.750 12.109 9.753 1.00 0.77 H new ATOM 0 HB2 ASN A 42 -4.927 13.872 7.560 1.00 0.93 H new ATOM 0 HB3 ASN A 42 -5.665 13.554 9.117 1.00 0.93 H new ATOM 0 HD21 ASN A 42 -2.894 16.516 8.711 1.00 2.11 H new ATOM 0 HD22 ASN A 42 -3.488 15.558 7.350 1.00 2.11 H new ATOM 624 N GLN A 43 -5.059 11.411 6.777 1.00 0.54 N ATOM 625 CA GLN A 43 -5.899 10.511 6.032 1.00 0.59 C ATOM 626 C GLN A 43 -5.165 9.194 5.810 1.00 0.49 C ATOM 627 O GLN A 43 -5.790 8.147 5.850 1.00 0.55 O ATOM 628 CB GLN A 43 -6.340 11.194 4.736 1.00 0.69 C ATOM 629 CG GLN A 43 -7.173 10.210 3.917 1.00 1.44 C ATOM 630 CD GLN A 43 -8.095 10.918 2.936 1.00 1.48 C ATOM 631 OE1 GLN A 43 -7.639 11.551 1.991 1.00 3.24 O ATOM 632 NE2 GLN A 43 -9.405 10.814 3.149 1.00 1.36 N ATOM 0 H GLN A 43 -4.711 12.198 6.229 1.00 0.54 H new ATOM 0 HA GLN A 43 -6.806 10.269 6.586 1.00 0.59 H new ATOM 0 HB2 GLN A 43 -6.924 12.087 4.960 1.00 0.69 H new ATOM 0 HB3 GLN A 43 -5.470 11.517 4.165 1.00 0.69 H new ATOM 0 HG2 GLN A 43 -6.509 9.540 3.371 1.00 1.44 H new ATOM 0 HG3 GLN A 43 -7.767 9.591 4.590 1.00 1.44 H new ATOM 0 HE21 GLN A 43 -9.751 10.279 3.946 1.00 1.36 H new ATOM 0 HE22 GLN A 43 -10.062 11.269 2.516 1.00 1.36 H new ATOM 641 N VAL A 44 -3.848 9.213 5.608 1.00 0.39 N ATOM 642 CA VAL A 44 -3.056 8.019 5.416 1.00 0.38 C ATOM 643 C VAL A 44 -3.203 7.117 6.652 1.00 0.39 C ATOM 644 O VAL A 44 -3.536 5.939 6.535 1.00 0.56 O ATOM 645 CB VAL A 44 -1.624 8.507 5.143 1.00 0.40 C ATOM 646 CG1 VAL A 44 -0.587 7.402 5.178 1.00 0.46 C ATOM 647 CG2 VAL A 44 -1.522 9.183 3.770 1.00 0.44 C ATOM 0 H VAL A 44 -3.303 10.074 5.574 1.00 0.39 H new ATOM 0 HA VAL A 44 -3.375 7.403 4.575 1.00 0.38 H new ATOM 0 HB VAL A 44 -1.414 9.210 5.949 1.00 0.40 H new ATOM 0 HG11 VAL A 44 0.399 7.822 4.977 1.00 0.46 H new ATOM 0 HG12 VAL A 44 -0.588 6.933 6.162 1.00 0.46 H new ATOM 0 HG13 VAL A 44 -0.825 6.655 4.420 1.00 0.46 H new ATOM 0 HG21 VAL A 44 -0.498 9.518 3.605 1.00 0.44 H new ATOM 0 HG22 VAL A 44 -1.801 8.472 2.993 1.00 0.44 H new ATOM 0 HG23 VAL A 44 -2.194 10.040 3.736 1.00 0.44 H new ATOM 657 N LYS A 45 -3.031 7.675 7.854 1.00 0.40 N ATOM 658 CA LYS A 45 -3.291 6.935 9.079 1.00 0.47 C ATOM 659 C LYS A 45 -4.715 6.375 9.078 1.00 0.51 C ATOM 660 O LYS A 45 -4.904 5.208 9.416 1.00 0.54 O ATOM 661 CB LYS A 45 -3.039 7.840 10.293 1.00 0.57 C ATOM 662 CG LYS A 45 -3.205 7.096 11.625 1.00 0.69 C ATOM 663 CD LYS A 45 -3.029 8.078 12.790 1.00 1.38 C ATOM 664 CE LYS A 45 -3.165 7.351 14.136 1.00 1.80 C ATOM 665 NZ LYS A 45 -3.016 8.272 15.282 1.00 2.82 N ATOM 0 H LYS A 45 -2.714 8.634 7.998 1.00 0.40 H new ATOM 0 HA LYS A 45 -2.610 6.086 9.139 1.00 0.47 H new ATOM 0 HB2 LYS A 45 -2.031 8.251 10.233 1.00 0.57 H new ATOM 0 HB3 LYS A 45 -3.729 8.683 10.263 1.00 0.57 H new ATOM 0 HG2 LYS A 45 -4.190 6.632 11.673 1.00 0.69 H new ATOM 0 HG3 LYS A 45 -2.471 6.294 11.699 1.00 0.69 H new ATOM 0 HD2 LYS A 45 -2.051 8.555 12.726 1.00 1.38 H new ATOM 0 HD3 LYS A 45 -3.775 8.870 12.721 1.00 1.38 H new ATOM 0 HE2 LYS A 45 -4.138 6.863 14.187 1.00 1.80 H new ATOM 0 HE3 LYS A 45 -2.411 6.566 14.202 1.00 1.80 H new ATOM 0 HZ1 LYS A 45 -3.115 7.740 16.170 1.00 2.82 H new ATOM 0 HZ2 LYS A 45 -2.077 8.719 15.249 1.00 2.82 H new ATOM 0 HZ3 LYS A 45 -3.751 9.006 15.235 1.00 2.82 H new ATOM 679 N ASP A 46 -5.713 7.193 8.725 1.00 0.57 N ATOM 680 CA ASP A 46 -7.092 6.723 8.671 1.00 0.68 C ATOM 681 C ASP A 46 -7.218 5.512 7.738 1.00 0.66 C ATOM 682 O ASP A 46 -7.644 4.441 8.171 1.00 0.73 O ATOM 683 CB ASP A 46 -8.047 7.856 8.277 1.00 0.77 C ATOM 684 CG ASP A 46 -9.504 7.424 8.371 1.00 1.31 C ATOM 685 OD1 ASP A 46 -9.798 6.567 9.232 1.00 2.47 O ATOM 686 OD2 ASP A 46 -10.303 7.977 7.586 1.00 2.41 O ATOM 0 H ASP A 46 -5.588 8.174 8.475 1.00 0.57 H new ATOM 0 HA ASP A 46 -7.382 6.395 9.669 1.00 0.68 H new ATOM 0 HB2 ASP A 46 -7.880 8.715 8.927 1.00 0.77 H new ATOM 0 HB3 ASP A 46 -7.828 8.179 7.259 1.00 0.77 H new ATOM 691 N VAL A 47 -6.783 5.643 6.475 1.00 0.60 N ATOM 692 CA VAL A 47 -6.848 4.550 5.516 1.00 0.65 C ATOM 693 C VAL A 47 -6.191 3.303 6.091 1.00 0.69 C ATOM 694 O VAL A 47 -6.779 2.229 6.008 1.00 0.79 O ATOM 695 CB VAL A 47 -6.352 4.891 4.089 1.00 0.60 C ATOM 696 CG1 VAL A 47 -6.872 6.230 3.560 1.00 0.61 C ATOM 697 CG2 VAL A 47 -4.857 4.744 3.792 1.00 0.59 C ATOM 0 H VAL A 47 -6.382 6.503 6.101 1.00 0.60 H new ATOM 0 HA VAL A 47 -7.908 4.348 5.363 1.00 0.65 H new ATOM 0 HB VAL A 47 -6.814 4.076 3.532 1.00 0.60 H new ATOM 0 HG11 VAL A 47 -6.483 6.401 2.556 1.00 0.61 H new ATOM 0 HG12 VAL A 47 -7.961 6.210 3.528 1.00 0.61 H new ATOM 0 HG13 VAL A 47 -6.543 7.034 4.218 1.00 0.61 H new ATOM 0 HG21 VAL A 47 -4.663 5.018 2.755 1.00 0.59 H new ATOM 0 HG22 VAL A 47 -4.289 5.399 4.452 1.00 0.59 H new ATOM 0 HG23 VAL A 47 -4.553 3.710 3.957 1.00 0.59 H new ATOM 707 N PHE A 48 -5.018 3.432 6.724 1.00 0.64 N ATOM 708 CA PHE A 48 -4.363 2.290 7.353 1.00 0.71 C ATOM 709 C PHE A 48 -5.315 1.511 8.264 1.00 0.74 C ATOM 710 O PHE A 48 -5.305 0.285 8.245 1.00 0.80 O ATOM 711 CB PHE A 48 -3.095 2.696 8.109 1.00 0.76 C ATOM 712 CG PHE A 48 -1.991 3.364 7.308 1.00 1.88 C ATOM 713 CD1 PHE A 48 -1.956 3.329 5.897 1.00 3.59 C ATOM 714 CD2 PHE A 48 -0.948 3.995 8.008 1.00 2.77 C ATOM 715 CE1 PHE A 48 -0.897 3.935 5.201 1.00 5.33 C ATOM 716 CE2 PHE A 48 0.123 4.570 7.311 1.00 4.55 C ATOM 717 CZ PHE A 48 0.177 4.495 5.909 1.00 5.65 C ATOM 0 H PHE A 48 -4.510 4.312 6.811 1.00 0.64 H new ATOM 0 HA PHE A 48 -4.064 1.626 6.542 1.00 0.71 H new ATOM 0 HB2 PHE A 48 -3.384 3.372 8.914 1.00 0.76 H new ATOM 0 HB3 PHE A 48 -2.680 1.803 8.576 1.00 0.76 H new ATOM 0 HD1 PHE A 48 -2.746 2.835 5.351 1.00 3.59 H new ATOM 0 HD2 PHE A 48 -0.972 4.037 9.087 1.00 2.77 H new ATOM 0 HE1 PHE A 48 -0.910 3.970 4.122 1.00 5.33 H new ATOM 0 HE2 PHE A 48 0.910 5.073 7.854 1.00 4.55 H new ATOM 0 HZ PHE A 48 1.041 4.867 5.379 1.00 5.65 H new ATOM 727 N ARG A 49 -6.182 2.184 9.025 1.00 0.75 N ATOM 728 CA ARG A 49 -7.121 1.479 9.895 1.00 0.79 C ATOM 729 C ARG A 49 -8.031 0.531 9.108 1.00 0.71 C ATOM 730 O ARG A 49 -8.470 -0.491 9.638 1.00 0.87 O ATOM 731 CB ARG A 49 -7.978 2.456 10.712 1.00 0.92 C ATOM 732 CG ARG A 49 -7.149 3.511 11.456 1.00 1.28 C ATOM 733 CD ARG A 49 -8.042 4.335 12.388 1.00 1.53 C ATOM 734 NE ARG A 49 -8.460 3.545 13.557 1.00 1.93 N ATOM 735 CZ ARG A 49 -9.357 3.939 14.475 1.00 2.52 C ATOM 736 NH1 ARG A 49 -10.003 5.100 14.318 1.00 3.06 N ATOM 737 NH2 ARG A 49 -9.595 3.173 15.546 1.00 3.22 N ATOM 0 H ARG A 49 -6.252 3.201 9.056 1.00 0.75 H new ATOM 0 HA ARG A 49 -6.516 0.885 10.580 1.00 0.79 H new ATOM 0 HB2 ARG A 49 -8.680 2.958 10.046 1.00 0.92 H new ATOM 0 HB3 ARG A 49 -8.570 1.894 11.434 1.00 0.92 H new ATOM 0 HG2 ARG A 49 -6.363 3.024 12.033 1.00 1.28 H new ATOM 0 HG3 ARG A 49 -6.658 4.168 10.739 1.00 1.28 H new ATOM 0 HD2 ARG A 49 -7.505 5.224 12.719 1.00 1.53 H new ATOM 0 HD3 ARG A 49 -8.922 4.678 11.844 1.00 1.53 H new ATOM 0 HE ARG A 49 -8.035 2.626 13.679 1.00 1.93 H new ATOM 0 HH11 ARG A 49 -9.813 5.683 13.503 1.00 3.06 H new ATOM 0 HH12 ARG A 49 -10.685 5.402 15.014 1.00 3.06 H new ATOM 0 HH21 ARG A 49 -9.095 2.292 15.664 1.00 3.22 H new ATOM 0 HH22 ARG A 49 -10.276 3.471 16.245 1.00 3.22 H new ATOM 751 N PHE A 50 -8.328 0.867 7.850 1.00 0.55 N ATOM 752 CA PHE A 50 -9.144 0.046 6.972 1.00 0.57 C ATOM 753 C PHE A 50 -8.396 -1.235 6.566 1.00 0.65 C ATOM 754 O PHE A 50 -9.035 -2.242 6.241 1.00 0.74 O ATOM 755 CB PHE A 50 -9.588 0.888 5.762 1.00 0.56 C ATOM 756 CG PHE A 50 -10.799 0.357 5.016 1.00 1.40 C ATOM 757 CD1 PHE A 50 -12.073 0.434 5.611 1.00 2.34 C ATOM 758 CD2 PHE A 50 -10.669 -0.184 3.723 1.00 3.03 C ATOM 759 CE1 PHE A 50 -13.190 -0.121 4.964 1.00 3.13 C ATOM 760 CE2 PHE A 50 -11.788 -0.735 3.072 1.00 4.01 C ATOM 761 CZ PHE A 50 -13.039 -0.744 3.713 1.00 3.63 C ATOM 0 H PHE A 50 -8.001 1.729 7.414 1.00 0.55 H new ATOM 0 HA PHE A 50 -10.040 -0.283 7.498 1.00 0.57 H new ATOM 0 HB2 PHE A 50 -9.806 1.900 6.104 1.00 0.56 H new ATOM 0 HB3 PHE A 50 -8.754 0.960 5.064 1.00 0.56 H new ATOM 0 HD1 PHE A 50 -12.192 0.921 6.568 1.00 2.34 H new ATOM 0 HD2 PHE A 50 -9.708 -0.176 3.230 1.00 3.03 H new ATOM 0 HE1 PHE A 50 -14.164 -0.069 5.428 1.00 3.13 H new ATOM 0 HE2 PHE A 50 -11.686 -1.151 2.080 1.00 4.01 H new ATOM 0 HZ PHE A 50 -13.883 -1.229 3.245 1.00 3.63 H new ATOM 771 N ILE A 51 -7.054 -1.227 6.581 1.00 0.85 N ATOM 772 CA ILE A 51 -6.225 -2.352 6.160 1.00 0.99 C ATOM 773 C ILE A 51 -5.236 -2.751 7.256 1.00 0.84 C ATOM 774 O ILE A 51 -4.159 -2.180 7.379 1.00 2.66 O ATOM 775 CB ILE A 51 -5.491 -2.067 4.839 1.00 1.37 C ATOM 776 CG1 ILE A 51 -6.433 -1.594 3.720 1.00 2.19 C ATOM 777 CG2 ILE A 51 -4.847 -3.377 4.370 1.00 1.68 C ATOM 778 CD1 ILE A 51 -6.444 -0.075 3.613 1.00 1.35 C ATOM 0 H ILE A 51 -6.511 -0.421 6.893 1.00 0.85 H new ATOM 0 HA ILE A 51 -6.897 -3.192 5.983 1.00 0.99 H new ATOM 0 HB ILE A 51 -4.766 -1.275 5.028 1.00 1.37 H new ATOM 0 HG12 ILE A 51 -6.118 -2.026 2.770 1.00 2.19 H new ATOM 0 HG13 ILE A 51 -7.443 -1.955 3.915 1.00 2.19 H new ATOM 0 HG21 ILE A 51 -4.317 -3.207 3.433 1.00 1.68 H new ATOM 0 HG22 ILE A 51 -4.144 -3.728 5.126 1.00 1.68 H new ATOM 0 HG23 ILE A 51 -5.621 -4.129 4.218 1.00 1.68 H new ATOM 0 HD11 ILE A 51 -7.119 0.229 2.813 1.00 1.35 H new ATOM 0 HD12 ILE A 51 -6.783 0.354 4.556 1.00 1.35 H new ATOM 0 HD13 ILE A 51 -5.438 0.282 3.393 1.00 1.35 H new ATOM 790 N ASP A 52 -5.596 -3.802 7.992 1.00 1.47 N ATOM 791 CA ASP A 52 -4.732 -4.549 8.900 1.00 1.23 C ATOM 792 C ASP A 52 -5.346 -5.942 9.031 1.00 2.07 C ATOM 793 O ASP A 52 -4.688 -6.952 8.827 1.00 3.90 O ATOM 794 CB ASP A 52 -4.655 -3.824 10.249 1.00 1.45 C ATOM 795 CG ASP A 52 -3.696 -4.461 11.248 1.00 1.19 C ATOM 796 OD1 ASP A 52 -3.327 -5.648 11.115 1.00 1.58 O ATOM 797 OD2 ASP A 52 -3.365 -3.760 12.225 1.00 1.71 O ATOM 0 H ASP A 52 -6.546 -4.172 7.969 1.00 1.47 H new ATOM 0 HA ASP A 52 -3.710 -4.628 8.529 1.00 1.23 H new ATOM 0 HB2 ASP A 52 -4.350 -2.792 10.077 1.00 1.45 H new ATOM 0 HB3 ASP A 52 -5.652 -3.792 10.689 1.00 1.45 H new ATOM 802 N ASN A 53 -6.660 -5.951 9.296 1.00 1.30 N ATOM 803 CA ASN A 53 -7.532 -7.103 9.516 1.00 1.77 C ATOM 804 C ASN A 53 -7.676 -7.298 11.018 1.00 1.47 C ATOM 805 O ASN A 53 -8.789 -7.264 11.533 1.00 1.93 O ATOM 806 CB ASN A 53 -7.097 -8.390 8.799 1.00 2.37 C ATOM 807 CG ASN A 53 -8.204 -9.437 8.873 1.00 2.92 C ATOM 808 OD1 ASN A 53 -8.255 -10.239 9.796 1.00 4.87 O ATOM 809 ND2 ASN A 53 -9.117 -9.438 7.903 1.00 1.69 N ATOM 0 H ASN A 53 -7.180 -5.076 9.367 1.00 1.30 H new ATOM 0 HA ASN A 53 -8.498 -6.884 9.061 1.00 1.77 H new ATOM 0 HB2 ASN A 53 -6.862 -8.172 7.757 1.00 2.37 H new ATOM 0 HB3 ASN A 53 -6.187 -8.780 9.256 1.00 2.37 H new ATOM 0 HD21 ASN A 53 -9.878 -10.117 7.920 1.00 1.69 H new ATOM 0 HD22 ASN A 53 -9.055 -8.760 7.143 1.00 1.69 H new ATOM 816 N ASP A 54 -6.540 -7.382 11.717 1.00 1.30 N ATOM 817 CA ASP A 54 -6.500 -7.339 13.174 1.00 1.20 C ATOM 818 C ASP A 54 -7.153 -6.055 13.683 1.00 0.82 C ATOM 819 O ASP A 54 -7.886 -6.056 14.667 1.00 1.20 O ATOM 820 CB ASP A 54 -5.052 -7.323 13.692 1.00 1.98 C ATOM 821 CG ASP A 54 -4.149 -8.431 13.191 1.00 1.89 C ATOM 822 OD1 ASP A 54 -4.638 -9.564 13.033 1.00 2.99 O ATOM 823 OD2 ASP A 54 -2.961 -8.096 12.965 1.00 2.33 O ATOM 0 H ASP A 54 -5.622 -7.482 11.283 1.00 1.30 H new ATOM 0 HA ASP A 54 -7.025 -8.226 13.529 1.00 1.20 H new ATOM 0 HB2 ASP A 54 -4.603 -6.367 13.423 1.00 1.98 H new ATOM 0 HB3 ASP A 54 -5.077 -7.368 14.781 1.00 1.98 H new ATOM 828 N GLN A 55 -6.770 -4.947 13.041 1.00 0.71 N ATOM 829 CA GLN A 55 -6.758 -3.614 13.624 1.00 1.05 C ATOM 830 C GLN A 55 -5.841 -3.601 14.851 1.00 1.34 C ATOM 831 O GLN A 55 -6.267 -3.355 15.976 1.00 1.69 O ATOM 832 CB GLN A 55 -8.168 -3.054 13.868 1.00 1.29 C ATOM 833 CG GLN A 55 -8.956 -2.962 12.552 1.00 2.69 C ATOM 834 CD GLN A 55 -10.135 -2.000 12.669 1.00 3.01 C ATOM 835 OE1 GLN A 55 -10.938 -2.093 13.591 1.00 3.34 O ATOM 836 NE2 GLN A 55 -10.248 -1.045 11.748 1.00 3.99 N ATOM 0 H GLN A 55 -6.451 -4.960 12.072 1.00 0.71 H new ATOM 0 HA GLN A 55 -6.336 -2.914 12.903 1.00 1.05 H new ATOM 0 HB2 GLN A 55 -8.701 -3.693 14.572 1.00 1.29 H new ATOM 0 HB3 GLN A 55 -8.098 -2.067 14.324 1.00 1.29 H new ATOM 0 HG2 GLN A 55 -8.293 -2.630 11.753 1.00 2.69 H new ATOM 0 HG3 GLN A 55 -9.319 -3.952 12.275 1.00 2.69 H new ATOM 0 HE21 GLN A 55 -9.569 -0.985 10.989 1.00 3.99 H new ATOM 0 HE22 GLN A 55 -11.013 -0.373 11.801 1.00 3.99 H new ATOM 845 N SER A 56 -4.556 -3.856 14.590 1.00 1.48 N ATOM 846 CA SER A 56 -3.456 -3.888 15.540 1.00 1.78 C ATOM 847 C SER A 56 -2.618 -2.612 15.430 1.00 1.91 C ATOM 848 O SER A 56 -2.205 -2.055 16.445 1.00 2.47 O ATOM 849 CB SER A 56 -2.584 -5.127 15.269 1.00 1.76 C ATOM 850 OG SER A 56 -1.954 -5.089 13.993 1.00 1.56 O ATOM 0 H SER A 56 -4.242 -4.059 13.641 1.00 1.48 H new ATOM 0 HA SER A 56 -3.857 -3.945 16.552 1.00 1.78 H new ATOM 0 HB2 SER A 56 -1.821 -5.205 16.044 1.00 1.76 H new ATOM 0 HB3 SER A 56 -3.202 -6.023 15.338 1.00 1.76 H new ATOM 0 HG SER A 56 -2.507 -4.572 13.371 1.00 1.56 H new ATOM 856 N GLY A 57 -2.329 -2.181 14.197 1.00 1.53 N ATOM 857 CA GLY A 57 -1.327 -1.169 13.888 1.00 1.66 C ATOM 858 C GLY A 57 -0.100 -1.780 13.200 1.00 1.36 C ATOM 859 O GLY A 57 0.739 -1.040 12.677 1.00 1.81 O ATOM 0 H GLY A 57 -2.802 -2.540 13.368 1.00 1.53 H new ATOM 0 HA2 GLY A 57 -1.765 -0.408 13.243 1.00 1.66 H new ATOM 0 HA3 GLY A 57 -1.019 -0.669 14.806 1.00 1.66 H new ATOM 863 N TYR A 58 0.009 -3.116 13.195 1.00 0.91 N ATOM 864 CA TYR A 58 1.054 -3.859 12.508 1.00 0.77 C ATOM 865 C TYR A 58 0.503 -4.401 11.197 1.00 0.69 C ATOM 866 O TYR A 58 -0.395 -5.242 11.208 1.00 0.65 O ATOM 867 CB TYR A 58 1.582 -4.979 13.410 1.00 1.11 C ATOM 868 CG TYR A 58 2.351 -4.464 14.612 1.00 1.40 C ATOM 869 CD1 TYR A 58 3.644 -3.938 14.437 1.00 1.58 C ATOM 870 CD2 TYR A 58 1.760 -4.459 15.889 1.00 3.02 C ATOM 871 CE1 TYR A 58 4.349 -3.416 15.536 1.00 1.75 C ATOM 872 CE2 TYR A 58 2.469 -3.945 16.989 1.00 3.34 C ATOM 873 CZ TYR A 58 3.761 -3.424 16.813 1.00 2.13 C ATOM 874 OH TYR A 58 4.441 -2.926 17.884 1.00 2.54 O ATOM 0 H TYR A 58 -0.651 -3.719 13.686 1.00 0.91 H new ATOM 0 HA TYR A 58 1.893 -3.202 12.280 1.00 0.77 H new ATOM 0 HB2 TYR A 58 0.744 -5.585 13.755 1.00 1.11 H new ATOM 0 HB3 TYR A 58 2.229 -5.633 12.826 1.00 1.11 H new ATOM 0 HD1 TYR A 58 4.096 -3.935 13.456 1.00 1.58 H new ATOM 0 HD2 TYR A 58 0.762 -4.850 16.024 1.00 3.02 H new ATOM 0 HE1 TYR A 58 5.340 -3.010 15.399 1.00 1.75 H new ATOM 0 HE2 TYR A 58 2.019 -3.951 17.971 1.00 3.34 H new ATOM 0 HH TYR A 58 3.888 -3.008 18.689 1.00 2.54 H new ATOM 884 N LEU A 59 1.059 -3.919 10.086 1.00 0.73 N ATOM 885 CA LEU A 59 0.897 -4.460 8.751 1.00 0.62 C ATOM 886 C LEU A 59 1.968 -5.531 8.575 1.00 0.59 C ATOM 887 O LEU A 59 3.048 -5.309 8.024 1.00 0.67 O ATOM 888 CB LEU A 59 1.006 -3.335 7.711 1.00 0.64 C ATOM 889 CG LEU A 59 -0.337 -2.643 7.428 1.00 0.79 C ATOM 890 CD1 LEU A 59 -1.232 -3.536 6.559 1.00 1.68 C ATOM 891 CD2 LEU A 59 -1.068 -2.215 8.709 1.00 1.87 C ATOM 0 H LEU A 59 1.664 -3.098 10.101 1.00 0.73 H new ATOM 0 HA LEU A 59 -0.086 -4.908 8.608 1.00 0.62 H new ATOM 0 HB2 LEU A 59 1.724 -2.593 8.061 1.00 0.64 H new ATOM 0 HB3 LEU A 59 1.400 -3.745 6.781 1.00 0.64 H new ATOM 0 HG LEU A 59 -0.112 -1.728 6.880 1.00 0.79 H new ATOM 0 HD11 LEU A 59 -2.178 -3.029 6.370 1.00 1.68 H new ATOM 0 HD12 LEU A 59 -0.733 -3.739 5.611 1.00 1.68 H new ATOM 0 HD13 LEU A 59 -1.422 -4.476 7.078 1.00 1.68 H new ATOM 0 HD21 LEU A 59 -2.009 -1.732 8.447 1.00 1.87 H new ATOM 0 HD22 LEU A 59 -1.269 -3.092 9.324 1.00 1.87 H new ATOM 0 HD23 LEU A 59 -0.445 -1.516 9.267 1.00 1.87 H new ATOM 903 N ASP A 60 1.656 -6.707 9.103 1.00 0.61 N ATOM 904 CA ASP A 60 2.469 -7.900 8.962 1.00 0.63 C ATOM 905 C ASP A 60 2.531 -8.298 7.474 1.00 0.60 C ATOM 906 O ASP A 60 1.554 -8.126 6.747 1.00 0.54 O ATOM 907 CB ASP A 60 1.878 -9.011 9.845 1.00 0.71 C ATOM 908 CG ASP A 60 1.519 -8.527 11.252 1.00 0.91 C ATOM 909 OD1 ASP A 60 0.397 -7.977 11.411 1.00 1.38 O ATOM 910 OD2 ASP A 60 2.377 -8.686 12.143 1.00 1.36 O ATOM 0 H ASP A 60 0.810 -6.858 9.653 1.00 0.61 H new ATOM 0 HA ASP A 60 3.492 -7.721 9.294 1.00 0.63 H new ATOM 0 HB2 ASP A 60 0.985 -9.413 9.366 1.00 0.71 H new ATOM 0 HB3 ASP A 60 2.595 -9.829 9.920 1.00 0.71 H new ATOM 915 N GLU A 61 3.676 -8.816 7.005 1.00 0.80 N ATOM 916 CA GLU A 61 3.971 -9.073 5.597 1.00 0.95 C ATOM 917 C GLU A 61 2.784 -9.645 4.805 1.00 0.93 C ATOM 918 O GLU A 61 2.421 -9.147 3.740 1.00 1.01 O ATOM 919 CB GLU A 61 5.193 -10.009 5.495 1.00 1.16 C ATOM 920 CG GLU A 61 6.162 -9.500 4.426 1.00 1.64 C ATOM 921 CD GLU A 61 7.038 -10.612 3.855 1.00 2.45 C ATOM 922 OE1 GLU A 61 6.457 -11.499 3.195 1.00 2.95 O ATOM 923 OE2 GLU A 61 8.266 -10.560 4.080 1.00 3.48 O ATOM 0 H GLU A 61 4.446 -9.075 7.622 1.00 0.80 H new ATOM 0 HA GLU A 61 4.189 -8.109 5.138 1.00 0.95 H new ATOM 0 HB2 GLU A 61 5.699 -10.064 6.459 1.00 1.16 H new ATOM 0 HB3 GLU A 61 4.867 -11.019 5.249 1.00 1.16 H new ATOM 0 HG2 GLU A 61 5.596 -9.037 3.618 1.00 1.64 H new ATOM 0 HG3 GLU A 61 6.797 -8.725 4.855 1.00 1.64 H new ATOM 930 N GLU A 62 2.168 -10.710 5.316 1.00 0.94 N ATOM 931 CA GLU A 62 1.123 -11.401 4.581 1.00 1.14 C ATOM 932 C GLU A 62 -0.171 -10.582 4.509 1.00 0.93 C ATOM 933 O GLU A 62 -0.965 -10.764 3.592 1.00 1.00 O ATOM 934 CB GLU A 62 0.920 -12.801 5.183 1.00 1.50 C ATOM 935 CG GLU A 62 0.239 -13.714 4.160 1.00 2.01 C ATOM 936 CD GLU A 62 0.161 -15.172 4.583 1.00 2.35 C ATOM 937 OE1 GLU A 62 0.327 -15.448 5.788 1.00 2.39 O ATOM 938 OE2 GLU A 62 -0.045 -15.985 3.653 1.00 3.54 O ATOM 0 H GLU A 62 2.377 -11.108 6.232 1.00 0.94 H new ATOM 0 HA GLU A 62 1.436 -11.522 3.544 1.00 1.14 H new ATOM 0 HB2 GLU A 62 1.881 -13.223 5.477 1.00 1.50 H new ATOM 0 HB3 GLU A 62 0.312 -12.734 6.085 1.00 1.50 H new ATOM 0 HG2 GLU A 62 -0.770 -13.346 3.976 1.00 2.01 H new ATOM 0 HG3 GLU A 62 0.779 -13.649 3.215 1.00 2.01 H new ATOM 945 N GLU A 63 -0.390 -9.635 5.422 1.00 0.79 N ATOM 946 CA GLU A 63 -1.481 -8.685 5.261 1.00 0.78 C ATOM 947 C GLU A 63 -1.168 -7.778 4.078 1.00 0.67 C ATOM 948 O GLU A 63 -2.058 -7.463 3.289 1.00 0.71 O ATOM 949 CB GLU A 63 -1.675 -7.884 6.542 1.00 0.92 C ATOM 950 CG GLU A 63 -2.076 -8.838 7.669 1.00 1.54 C ATOM 951 CD GLU A 63 -1.902 -8.209 9.028 1.00 1.08 C ATOM 952 OE1 GLU A 63 -1.307 -7.119 9.173 1.00 1.86 O ATOM 953 OE2 GLU A 63 -2.330 -8.802 10.036 1.00 2.09 O ATOM 0 H GLU A 63 0.167 -9.509 6.267 1.00 0.79 H new ATOM 0 HA GLU A 63 -2.414 -9.213 5.064 1.00 0.78 H new ATOM 0 HB2 GLU A 63 -0.755 -7.360 6.802 1.00 0.92 H new ATOM 0 HB3 GLU A 63 -2.445 -7.125 6.399 1.00 0.92 H new ATOM 0 HG2 GLU A 63 -3.116 -9.137 7.538 1.00 1.54 H new ATOM 0 HG3 GLU A 63 -1.473 -9.744 7.609 1.00 1.54 H new ATOM 960 N LEU A 64 0.108 -7.401 3.928 1.00 0.66 N ATOM 961 CA LEU A 64 0.575 -6.685 2.749 1.00 0.78 C ATOM 962 C LEU A 64 0.124 -7.438 1.488 1.00 0.85 C ATOM 963 O LEU A 64 -0.503 -6.846 0.616 1.00 1.16 O ATOM 964 CB LEU A 64 2.093 -6.441 2.803 1.00 0.85 C ATOM 965 CG LEU A 64 2.531 -5.014 2.428 1.00 1.19 C ATOM 966 CD1 LEU A 64 1.944 -4.532 1.097 1.00 2.62 C ATOM 967 CD2 LEU A 64 2.208 -4.014 3.545 1.00 2.25 C ATOM 0 H LEU A 64 0.836 -7.585 4.619 1.00 0.66 H new ATOM 0 HA LEU A 64 0.126 -5.692 2.720 1.00 0.78 H new ATOM 0 HB2 LEU A 64 2.447 -6.662 3.810 1.00 0.85 H new ATOM 0 HB3 LEU A 64 2.584 -7.145 2.131 1.00 0.85 H new ATOM 0 HG LEU A 64 3.612 -5.063 2.301 1.00 1.19 H new ATOM 0 HD11 LEU A 64 2.292 -3.520 0.891 1.00 2.62 H new ATOM 0 HD12 LEU A 64 2.267 -5.196 0.295 1.00 2.62 H new ATOM 0 HD13 LEU A 64 0.856 -4.537 1.156 1.00 2.62 H new ATOM 0 HD21 LEU A 64 2.531 -3.017 3.245 1.00 2.25 H new ATOM 0 HD22 LEU A 64 1.133 -4.007 3.728 1.00 2.25 H new ATOM 0 HD23 LEU A 64 2.729 -4.306 4.457 1.00 2.25 H new ATOM 979 N LYS A 65 0.328 -8.763 1.453 1.00 0.98 N ATOM 980 CA LYS A 65 -0.111 -9.647 0.364 1.00 1.13 C ATOM 981 C LYS A 65 -1.620 -9.567 0.044 1.00 1.03 C ATOM 982 O LYS A 65 -2.038 -10.056 -1.005 1.00 1.34 O ATOM 983 CB LYS A 65 0.317 -11.094 0.668 1.00 1.40 C ATOM 984 CG LYS A 65 0.280 -12.025 -0.557 1.00 1.63 C ATOM 985 CD LYS A 65 0.847 -13.416 -0.232 1.00 1.90 C ATOM 986 CE LYS A 65 -0.110 -14.257 0.634 1.00 2.00 C ATOM 987 NZ LYS A 65 0.573 -15.416 1.245 1.00 2.32 N ATOM 0 H LYS A 65 0.814 -9.261 2.199 1.00 0.98 H new ATOM 0 HA LYS A 65 0.384 -9.292 -0.540 1.00 1.13 H new ATOM 0 HB2 LYS A 65 1.328 -11.086 1.075 1.00 1.40 H new ATOM 0 HB3 LYS A 65 -0.335 -11.501 1.441 1.00 1.40 H new ATOM 0 HG2 LYS A 65 -0.747 -12.124 -0.908 1.00 1.63 H new ATOM 0 HG3 LYS A 65 0.853 -11.579 -1.370 1.00 1.63 H new ATOM 0 HD2 LYS A 65 1.052 -13.947 -1.161 1.00 1.90 H new ATOM 0 HD3 LYS A 65 1.799 -13.304 0.288 1.00 1.90 H new ATOM 0 HE2 LYS A 65 -0.534 -13.631 1.419 1.00 2.00 H new ATOM 0 HE3 LYS A 65 -0.941 -14.607 0.021 1.00 2.00 H new ATOM 0 HZ1 LYS A 65 0.023 -15.753 2.061 1.00 2.32 H new ATOM 0 HZ2 LYS A 65 0.655 -16.180 0.544 1.00 2.32 H new ATOM 0 HZ3 LYS A 65 1.522 -15.132 1.561 1.00 2.32 H new ATOM 1001 N PHE A 66 -2.452 -8.958 0.899 1.00 0.75 N ATOM 1002 CA PHE A 66 -3.866 -8.722 0.606 1.00 0.75 C ATOM 1003 C PHE A 66 -4.245 -7.239 0.722 1.00 0.75 C ATOM 1004 O PHE A 66 -5.430 -6.914 0.673 1.00 1.30 O ATOM 1005 CB PHE A 66 -4.730 -9.591 1.528 1.00 0.93 C ATOM 1006 CG PHE A 66 -4.471 -11.083 1.406 1.00 2.22 C ATOM 1007 CD1 PHE A 66 -4.919 -11.789 0.274 1.00 3.37 C ATOM 1008 CD2 PHE A 66 -3.767 -11.765 2.416 1.00 3.71 C ATOM 1009 CE1 PHE A 66 -4.682 -13.171 0.162 1.00 4.76 C ATOM 1010 CE2 PHE A 66 -3.523 -13.144 2.302 1.00 5.11 C ATOM 1011 CZ PHE A 66 -3.987 -13.850 1.178 1.00 5.35 C ATOM 0 H PHE A 66 -2.160 -8.616 1.814 1.00 0.75 H new ATOM 0 HA PHE A 66 -4.050 -9.003 -0.431 1.00 0.75 H new ATOM 0 HB2 PHE A 66 -4.557 -9.288 2.561 1.00 0.93 H new ATOM 0 HB3 PHE A 66 -5.780 -9.398 1.310 1.00 0.93 H new ATOM 0 HD1 PHE A 66 -5.447 -11.268 -0.511 1.00 3.37 H new ATOM 0 HD2 PHE A 66 -3.413 -11.226 3.282 1.00 3.71 H new ATOM 0 HE1 PHE A 66 -5.034 -13.711 -0.705 1.00 4.76 H new ATOM 0 HE2 PHE A 66 -2.979 -13.662 3.078 1.00 5.11 H new ATOM 0 HZ PHE A 66 -3.810 -14.912 1.095 1.00 5.35 H new ATOM 1021 N PHE A 67 -3.267 -6.339 0.855 1.00 0.49 N ATOM 1022 CA PHE A 67 -3.466 -4.935 1.196 1.00 0.59 C ATOM 1023 C PHE A 67 -4.533 -4.287 0.310 1.00 0.63 C ATOM 1024 O PHE A 67 -5.615 -3.917 0.770 1.00 0.79 O ATOM 1025 CB PHE A 67 -2.108 -4.211 1.134 1.00 0.72 C ATOM 1026 CG PHE A 67 -2.117 -2.706 1.320 1.00 1.04 C ATOM 1027 CD1 PHE A 67 -2.233 -2.147 2.604 1.00 2.42 C ATOM 1028 CD2 PHE A 67 -1.881 -1.858 0.223 1.00 1.86 C ATOM 1029 CE1 PHE A 67 -2.393 -0.759 2.754 1.00 2.77 C ATOM 1030 CE2 PHE A 67 -1.968 -0.464 0.378 1.00 2.12 C ATOM 1031 CZ PHE A 67 -2.279 0.084 1.634 1.00 1.99 C ATOM 0 H PHE A 67 -2.284 -6.579 0.723 1.00 0.49 H new ATOM 0 HA PHE A 67 -3.849 -4.852 2.213 1.00 0.59 H new ATOM 0 HB2 PHE A 67 -1.460 -4.642 1.897 1.00 0.72 H new ATOM 0 HB3 PHE A 67 -1.652 -4.430 0.168 1.00 0.72 H new ATOM 0 HD1 PHE A 67 -2.199 -2.784 3.475 1.00 2.42 H new ATOM 0 HD2 PHE A 67 -1.633 -2.279 -0.740 1.00 1.86 H new ATOM 0 HE1 PHE A 67 -2.603 -0.340 3.727 1.00 2.77 H new ATOM 0 HE2 PHE A 67 -1.796 0.186 -0.467 1.00 2.12 H new ATOM 0 HZ PHE A 67 -2.430 1.148 1.739 1.00 1.99 H new ATOM 1041 N LEU A 68 -4.246 -4.205 -0.987 1.00 0.55 N ATOM 1042 CA LEU A 68 -5.106 -3.563 -1.966 1.00 0.56 C ATOM 1043 C LEU A 68 -6.453 -4.273 -2.154 1.00 0.57 C ATOM 1044 O LEU A 68 -7.342 -3.686 -2.766 1.00 0.55 O ATOM 1045 CB LEU A 68 -4.382 -3.477 -3.315 1.00 0.65 C ATOM 1046 CG LEU A 68 -3.015 -2.780 -3.306 1.00 1.51 C ATOM 1047 CD1 LEU A 68 -2.379 -2.859 -4.699 1.00 2.39 C ATOM 1048 CD2 LEU A 68 -3.116 -1.315 -2.885 1.00 2.42 C ATOM 0 H LEU A 68 -3.392 -4.591 -1.390 1.00 0.55 H new ATOM 0 HA LEU A 68 -5.325 -2.567 -1.581 1.00 0.56 H new ATOM 0 HB2 LEU A 68 -4.248 -4.489 -3.697 1.00 0.65 H new ATOM 0 HB3 LEU A 68 -5.029 -2.953 -4.019 1.00 0.65 H new ATOM 0 HG LEU A 68 -2.395 -3.299 -2.575 1.00 1.51 H new ATOM 0 HD11 LEU A 68 -1.409 -2.362 -4.685 1.00 2.39 H new ATOM 0 HD12 LEU A 68 -2.247 -3.904 -4.980 1.00 2.39 H new ATOM 0 HD13 LEU A 68 -3.028 -2.367 -5.424 1.00 2.39 H new ATOM 0 HD21 LEU A 68 -2.123 -0.865 -2.894 1.00 2.42 H new ATOM 0 HD22 LEU A 68 -3.763 -0.780 -3.580 1.00 2.42 H new ATOM 0 HD23 LEU A 68 -3.533 -1.253 -1.880 1.00 2.42 H new ATOM 1060 N GLN A 69 -6.649 -5.502 -1.655 1.00 0.67 N ATOM 1061 CA GLN A 69 -7.927 -6.194 -1.830 1.00 0.68 C ATOM 1062 C GLN A 69 -9.061 -5.403 -1.168 1.00 0.73 C ATOM 1063 O GLN A 69 -10.194 -5.427 -1.644 1.00 1.06 O ATOM 1064 CB GLN A 69 -7.874 -7.625 -1.283 1.00 0.80 C ATOM 1065 CG GLN A 69 -6.726 -8.469 -1.854 1.00 1.03 C ATOM 1066 CD GLN A 69 -6.862 -8.839 -3.323 1.00 1.01 C ATOM 1067 OE1 GLN A 69 -7.293 -9.939 -3.652 1.00 1.62 O ATOM 1068 NE2 GLN A 69 -6.423 -7.951 -4.207 1.00 1.67 N ATOM 0 H GLN A 69 -5.947 -6.029 -1.134 1.00 0.67 H new ATOM 0 HA GLN A 69 -8.125 -6.259 -2.900 1.00 0.68 H new ATOM 0 HB2 GLN A 69 -7.777 -7.585 -0.198 1.00 0.80 H new ATOM 0 HB3 GLN A 69 -8.820 -8.122 -1.501 1.00 0.80 H new ATOM 0 HG2 GLN A 69 -5.793 -7.923 -1.718 1.00 1.03 H new ATOM 0 HG3 GLN A 69 -6.646 -9.386 -1.271 1.00 1.03 H new ATOM 0 HE21 GLN A 69 -6.072 -7.047 -3.891 1.00 1.67 H new ATOM 0 HE22 GLN A 69 -6.436 -8.173 -5.202 1.00 1.67 H new ATOM 1077 N LYS A 70 -8.757 -4.672 -0.088 1.00 0.68 N ATOM 1078 CA LYS A 70 -9.714 -3.755 0.523 1.00 0.74 C ATOM 1079 C LYS A 70 -10.172 -2.671 -0.457 1.00 0.68 C ATOM 1080 O LYS A 70 -11.275 -2.146 -0.315 1.00 0.97 O ATOM 1081 CB LYS A 70 -9.104 -3.095 1.771 1.00 0.98 C ATOM 1082 CG LYS A 70 -9.681 -3.664 3.070 1.00 1.60 C ATOM 1083 CD LYS A 70 -9.152 -5.076 3.347 1.00 1.36 C ATOM 1084 CE LYS A 70 -9.687 -5.613 4.682 1.00 1.60 C ATOM 1085 NZ LYS A 70 -9.155 -4.872 5.846 1.00 2.84 N ATOM 0 H LYS A 70 -7.851 -4.702 0.379 1.00 0.68 H new ATOM 0 HA LYS A 70 -10.586 -4.344 0.809 1.00 0.74 H new ATOM 0 HB2 LYS A 70 -8.023 -3.237 1.763 1.00 0.98 H new ATOM 0 HB3 LYS A 70 -9.284 -2.021 1.736 1.00 0.98 H new ATOM 0 HG2 LYS A 70 -9.424 -3.008 3.902 1.00 1.60 H new ATOM 0 HG3 LYS A 70 -10.769 -3.687 3.007 1.00 1.60 H new ATOM 0 HD2 LYS A 70 -9.447 -5.744 2.538 1.00 1.36 H new ATOM 0 HD3 LYS A 70 -8.062 -5.062 3.367 1.00 1.36 H new ATOM 0 HE2 LYS A 70 -10.775 -5.553 4.684 1.00 1.60 H new ATOM 0 HE3 LYS A 70 -9.426 -6.667 4.776 1.00 1.60 H new ATOM 0 HZ1 LYS A 70 -9.533 -5.284 6.723 1.00 2.84 H new ATOM 0 HZ2 LYS A 70 -8.117 -4.936 5.853 1.00 2.84 H new ATOM 0 HZ3 LYS A 70 -9.440 -3.874 5.782 1.00 2.84 H new ATOM 1099 N PHE A 71 -9.308 -2.290 -1.401 1.00 0.61 N ATOM 1100 CA PHE A 71 -9.604 -1.268 -2.385 1.00 0.69 C ATOM 1101 C PHE A 71 -10.307 -1.899 -3.586 1.00 0.76 C ATOM 1102 O PHE A 71 -11.365 -1.425 -3.992 1.00 1.00 O ATOM 1103 CB PHE A 71 -8.316 -0.573 -2.842 1.00 0.78 C ATOM 1104 CG PHE A 71 -7.378 -0.012 -1.787 1.00 1.23 C ATOM 1105 CD1 PHE A 71 -7.836 0.367 -0.511 1.00 2.49 C ATOM 1106 CD2 PHE A 71 -6.065 0.310 -2.173 1.00 2.33 C ATOM 1107 CE1 PHE A 71 -6.993 1.091 0.350 1.00 3.10 C ATOM 1108 CE2 PHE A 71 -5.209 0.994 -1.292 1.00 2.92 C ATOM 1109 CZ PHE A 71 -5.672 1.385 -0.027 1.00 2.84 C ATOM 0 H PHE A 71 -8.376 -2.692 -1.497 1.00 0.61 H new ATOM 0 HA PHE A 71 -10.258 -0.523 -1.931 1.00 0.69 H new ATOM 0 HB2 PHE A 71 -7.750 -1.286 -3.442 1.00 0.78 H new ATOM 0 HB3 PHE A 71 -8.599 0.246 -3.503 1.00 0.78 H new ATOM 0 HD1 PHE A 71 -8.834 0.102 -0.194 1.00 2.49 H new ATOM 0 HD2 PHE A 71 -5.711 0.030 -3.154 1.00 2.33 H new ATOM 0 HE1 PHE A 71 -7.364 1.424 1.308 1.00 3.10 H new ATOM 0 HE2 PHE A 71 -4.195 1.218 -1.589 1.00 2.92 H new ATOM 0 HZ PHE A 71 -5.017 1.909 0.653 1.00 2.84 H new ATOM 1119 N GLU A 72 -9.694 -2.936 -4.167 1.00 0.67 N ATOM 1120 CA GLU A 72 -10.162 -3.590 -5.378 1.00 0.85 C ATOM 1121 C GLU A 72 -9.892 -5.093 -5.254 1.00 1.11 C ATOM 1122 O GLU A 72 -8.749 -5.514 -5.071 1.00 2.47 O ATOM 1123 CB GLU A 72 -9.470 -2.964 -6.605 1.00 0.99 C ATOM 1124 CG GLU A 72 -10.371 -2.926 -7.849 1.00 1.39 C ATOM 1125 CD GLU A 72 -10.582 -4.306 -8.451 1.00 2.28 C ATOM 1126 OE1 GLU A 72 -11.357 -5.085 -7.850 1.00 3.70 O ATOM 1127 OE2 GLU A 72 -9.905 -4.608 -9.451 1.00 2.95 O ATOM 0 H GLU A 72 -8.839 -3.348 -3.794 1.00 0.67 H new ATOM 0 HA GLU A 72 -11.234 -3.448 -5.512 1.00 0.85 H new ATOM 0 HB2 GLU A 72 -9.156 -1.949 -6.360 1.00 0.99 H new ATOM 0 HB3 GLU A 72 -8.567 -3.530 -6.834 1.00 0.99 H new ATOM 0 HG2 GLU A 72 -11.337 -2.497 -7.582 1.00 1.39 H new ATOM 0 HG3 GLU A 72 -9.926 -2.270 -8.597 1.00 1.39 H new ATOM 1134 N SER A 73 -10.953 -5.890 -5.385 1.00 1.08 N ATOM 1135 CA SER A 73 -10.942 -7.345 -5.418 1.00 0.99 C ATOM 1136 C SER A 73 -9.830 -7.897 -6.317 1.00 0.99 C ATOM 1137 O SER A 73 -9.227 -8.923 -6.015 1.00 1.93 O ATOM 1138 CB SER A 73 -12.319 -7.815 -5.912 1.00 1.26 C ATOM 1139 OG SER A 73 -12.636 -7.332 -7.211 1.00 2.40 O ATOM 0 H SER A 73 -11.896 -5.511 -5.476 1.00 1.08 H new ATOM 0 HA SER A 73 -10.740 -7.723 -4.416 1.00 0.99 H new ATOM 0 HB2 SER A 73 -12.344 -8.905 -5.919 1.00 1.26 H new ATOM 0 HB3 SER A 73 -13.084 -7.483 -5.210 1.00 1.26 H new ATOM 0 HG SER A 73 -12.056 -6.572 -7.428 1.00 2.40 H new ATOM 1145 N GLY A 74 -9.584 -7.207 -7.427 1.00 1.28 N ATOM 1146 CA GLY A 74 -8.691 -7.610 -8.500 1.00 1.48 C ATOM 1147 C GLY A 74 -7.398 -6.802 -8.499 1.00 1.26 C ATOM 1148 O GLY A 74 -6.780 -6.636 -9.551 1.00 1.38 O ATOM 0 H GLY A 74 -10.027 -6.306 -7.608 1.00 1.28 H new ATOM 0 HA2 GLY A 74 -8.457 -8.670 -8.398 1.00 1.48 H new ATOM 0 HA3 GLY A 74 -9.196 -7.486 -9.458 1.00 1.48 H new ATOM 1152 N ALA A 75 -6.962 -6.317 -7.330 1.00 1.09 N ATOM 1153 CA ALA A 75 -5.680 -5.635 -7.212 1.00 0.97 C ATOM 1154 C ALA A 75 -4.501 -6.614 -7.346 1.00 1.00 C ATOM 1155 O ALA A 75 -4.679 -7.737 -7.806 1.00 1.42 O ATOM 1156 CB ALA A 75 -5.640 -4.848 -5.909 1.00 0.90 C ATOM 0 H ALA A 75 -7.483 -6.387 -6.456 1.00 1.09 H new ATOM 0 HA ALA A 75 -5.575 -4.930 -8.037 1.00 0.97 H new ATOM 0 HB1 ALA A 75 -4.681 -4.338 -5.821 1.00 0.90 H new ATOM 0 HB2 ALA A 75 -6.444 -4.112 -5.904 1.00 0.90 H new ATOM 0 HB3 ALA A 75 -5.767 -5.530 -5.068 1.00 0.90 H new ATOM 1162 N ARG A 76 -3.284 -6.187 -6.974 1.00 0.87 N ATOM 1163 CA ARG A 76 -2.050 -6.804 -7.457 1.00 0.94 C ATOM 1164 C ARG A 76 -1.211 -7.532 -6.395 1.00 0.85 C ATOM 1165 O ARG A 76 -0.290 -8.274 -6.737 1.00 1.01 O ATOM 1166 CB ARG A 76 -1.233 -5.726 -8.182 1.00 1.24 C ATOM 1167 CG ARG A 76 0.003 -6.280 -8.895 1.00 1.15 C ATOM 1168 CD ARG A 76 -0.364 -7.501 -9.749 1.00 0.92 C ATOM 1169 NE ARG A 76 0.761 -7.879 -10.592 1.00 1.56 N ATOM 1170 CZ ARG A 76 0.806 -7.927 -11.923 1.00 2.28 C ATOM 1171 NH1 ARG A 76 -0.262 -7.643 -12.671 1.00 2.92 N ATOM 1172 NH2 ARG A 76 1.955 -8.269 -12.492 1.00 3.11 N ATOM 0 H ARG A 76 -3.134 -5.408 -6.333 1.00 0.87 H new ATOM 0 HA ARG A 76 -2.339 -7.607 -8.135 1.00 0.94 H new ATOM 0 HB2 ARG A 76 -1.871 -5.226 -8.911 1.00 1.24 H new ATOM 0 HB3 ARG A 76 -0.920 -4.971 -7.461 1.00 1.24 H new ATOM 0 HG2 ARG A 76 0.441 -5.507 -9.526 1.00 1.15 H new ATOM 0 HG3 ARG A 76 0.759 -6.558 -8.160 1.00 1.15 H new ATOM 0 HD2 ARG A 76 -0.642 -8.335 -9.104 1.00 0.92 H new ATOM 0 HD3 ARG A 76 -1.232 -7.274 -10.368 1.00 0.92 H new ATOM 0 HE ARG A 76 1.619 -8.139 -10.105 1.00 1.56 H new ATOM 0 HH11 ARG A 76 -1.141 -7.381 -12.226 1.00 2.92 H new ATOM 0 HH12 ARG A 76 -0.199 -7.688 -13.688 1.00 2.92 H new ATOM 0 HH21 ARG A 76 2.767 -8.485 -11.913 1.00 3.11 H new ATOM 0 HH22 ARG A 76 2.027 -8.316 -13.508 1.00 3.11 H new ATOM 1186 N GLU A 77 -1.540 -7.390 -5.112 1.00 0.94 N ATOM 1187 CA GLU A 77 -0.755 -7.967 -4.019 1.00 1.00 C ATOM 1188 C GLU A 77 -0.620 -9.500 -4.084 1.00 0.77 C ATOM 1189 O GLU A 77 0.111 -10.105 -3.306 1.00 0.58 O ATOM 1190 CB GLU A 77 -1.398 -7.561 -2.696 1.00 1.45 C ATOM 1191 CG GLU A 77 -1.474 -6.050 -2.467 1.00 2.44 C ATOM 1192 CD GLU A 77 -0.136 -5.401 -2.100 1.00 3.65 C ATOM 1193 OE1 GLU A 77 0.878 -6.128 -2.010 1.00 4.57 O ATOM 1194 OE2 GLU A 77 -0.167 -4.167 -1.906 1.00 4.42 O ATOM 0 H GLU A 77 -2.360 -6.871 -4.799 1.00 0.94 H new ATOM 0 HA GLU A 77 0.259 -7.577 -4.110 1.00 1.00 H new ATOM 0 HB2 GLU A 77 -2.406 -7.974 -2.654 1.00 1.45 H new ATOM 0 HB3 GLU A 77 -0.835 -8.012 -1.879 1.00 1.45 H new ATOM 0 HG2 GLU A 77 -1.859 -5.576 -3.370 1.00 2.44 H new ATOM 0 HG3 GLU A 77 -2.192 -5.850 -1.671 1.00 2.44 H new ATOM 1201 N LEU A 78 -1.325 -10.148 -5.012 1.00 0.96 N ATOM 1202 CA LEU A 78 -1.164 -11.557 -5.292 1.00 0.96 C ATOM 1203 C LEU A 78 0.289 -11.868 -5.673 1.00 0.82 C ATOM 1204 O LEU A 78 0.800 -12.908 -5.261 1.00 0.88 O ATOM 1205 CB LEU A 78 -2.126 -12.017 -6.399 1.00 1.15 C ATOM 1206 CG LEU A 78 -3.626 -11.707 -6.200 1.00 1.23 C ATOM 1207 CD1 LEU A 78 -4.103 -11.840 -4.749 1.00 1.12 C ATOM 1208 CD2 LEU A 78 -4.032 -10.338 -6.755 1.00 1.34 C ATOM 0 H LEU A 78 -2.030 -9.694 -5.592 1.00 0.96 H new ATOM 0 HA LEU A 78 -1.410 -12.110 -4.385 1.00 0.96 H new ATOM 0 HB2 LEU A 78 -1.807 -11.560 -7.336 1.00 1.15 H new ATOM 0 HB3 LEU A 78 -2.016 -13.095 -6.517 1.00 1.15 H new ATOM 0 HG LEU A 78 -4.130 -12.480 -6.781 1.00 1.23 H new ATOM 0 HD11 LEU A 78 -5.166 -11.606 -4.693 1.00 1.12 H new ATOM 0 HD12 LEU A 78 -3.937 -12.860 -4.404 1.00 1.12 H new ATOM 0 HD13 LEU A 78 -3.545 -11.148 -4.118 1.00 1.12 H new ATOM 0 HD21 LEU A 78 -5.097 -10.178 -6.585 1.00 1.34 H new ATOM 0 HD22 LEU A 78 -3.463 -9.557 -6.250 1.00 1.34 H new ATOM 0 HD23 LEU A 78 -3.826 -10.303 -7.825 1.00 1.34 H new ATOM 1220 N THR A 79 0.962 -11.009 -6.459 1.00 0.74 N ATOM 1221 CA THR A 79 2.362 -11.286 -6.775 1.00 0.58 C ATOM 1222 C THR A 79 3.240 -10.937 -5.583 1.00 0.48 C ATOM 1223 O THR A 79 3.218 -9.812 -5.078 1.00 0.40 O ATOM 1224 CB THR A 79 2.914 -10.521 -7.978 1.00 0.66 C ATOM 1225 OG1 THR A 79 2.043 -10.446 -9.068 1.00 0.96 O ATOM 1226 CG2 THR A 79 4.197 -11.197 -8.481 1.00 0.87 C ATOM 0 H THR A 79 0.577 -10.157 -6.868 1.00 0.74 H new ATOM 0 HA THR A 79 2.384 -12.348 -7.021 1.00 0.58 H new ATOM 0 HB THR A 79 3.084 -9.508 -7.612 1.00 0.66 H new ATOM 0 HG1 THR A 79 2.437 -9.878 -9.763 1.00 0.96 H new ATOM 0 HG21 THR A 79 4.586 -10.647 -9.338 1.00 0.87 H new ATOM 0 HG22 THR A 79 4.942 -11.202 -7.685 1.00 0.87 H new ATOM 0 HG23 THR A 79 3.976 -12.222 -8.777 1.00 0.87 H new ATOM 1234 N GLU A 80 4.095 -11.883 -5.212 1.00 0.60 N ATOM 1235 CA GLU A 80 5.031 -11.673 -4.128 1.00 0.61 C ATOM 1236 C GLU A 80 6.042 -10.586 -4.491 1.00 0.61 C ATOM 1237 O GLU A 80 6.276 -9.711 -3.671 1.00 0.63 O ATOM 1238 CB GLU A 80 5.648 -12.986 -3.643 1.00 0.66 C ATOM 1239 CG GLU A 80 6.384 -13.795 -4.717 1.00 2.00 C ATOM 1240 CD GLU A 80 6.916 -15.085 -4.111 1.00 2.01 C ATOM 1241 OE1 GLU A 80 6.129 -16.053 -4.067 1.00 2.28 O ATOM 1242 OE2 GLU A 80 8.086 -15.065 -3.672 1.00 3.25 O ATOM 0 H GLU A 80 4.155 -12.802 -5.650 1.00 0.60 H new ATOM 0 HA GLU A 80 4.489 -11.295 -3.261 1.00 0.61 H new ATOM 0 HB2 GLU A 80 6.346 -12.765 -2.835 1.00 0.66 H new ATOM 0 HB3 GLU A 80 4.858 -13.607 -3.221 1.00 0.66 H new ATOM 0 HG2 GLU A 80 5.709 -14.021 -5.543 1.00 2.00 H new ATOM 0 HG3 GLU A 80 7.206 -13.209 -5.128 1.00 2.00 H new ATOM 1249 N SER A 81 6.595 -10.583 -5.711 1.00 0.63 N ATOM 1250 CA SER A 81 7.431 -9.485 -6.194 1.00 0.72 C ATOM 1251 C SER A 81 6.757 -8.125 -5.988 1.00 0.68 C ATOM 1252 O SER A 81 7.280 -7.293 -5.248 1.00 0.71 O ATOM 1253 CB SER A 81 7.794 -9.663 -7.669 1.00 0.82 C ATOM 1254 OG SER A 81 8.598 -10.801 -7.881 1.00 1.18 O ATOM 0 H SER A 81 6.474 -11.339 -6.385 1.00 0.63 H new ATOM 0 HA SER A 81 8.347 -9.509 -5.603 1.00 0.72 H new ATOM 0 HB2 SER A 81 6.882 -9.749 -8.259 1.00 0.82 H new ATOM 0 HB3 SER A 81 8.320 -8.776 -8.022 1.00 0.82 H new ATOM 0 HG SER A 81 9.217 -10.631 -8.622 1.00 1.18 H new ATOM 1260 N GLU A 82 5.607 -7.885 -6.630 1.00 0.70 N ATOM 1261 CA GLU A 82 4.927 -6.606 -6.535 1.00 0.69 C ATOM 1262 C GLU A 82 4.680 -6.220 -5.071 1.00 0.64 C ATOM 1263 O GLU A 82 4.930 -5.073 -4.699 1.00 0.78 O ATOM 1264 CB GLU A 82 3.641 -6.573 -7.384 1.00 0.70 C ATOM 1265 CG GLU A 82 3.877 -6.541 -8.912 1.00 1.11 C ATOM 1266 CD GLU A 82 4.193 -7.877 -9.562 1.00 1.76 C ATOM 1267 OE1 GLU A 82 5.345 -8.322 -9.417 1.00 2.94 O ATOM 1268 OE2 GLU A 82 3.295 -8.439 -10.233 1.00 2.50 O ATOM 0 H GLU A 82 5.134 -8.569 -7.221 1.00 0.70 H new ATOM 0 HA GLU A 82 5.585 -5.847 -6.957 1.00 0.69 H new ATOM 0 HB2 GLU A 82 3.039 -7.449 -7.141 1.00 0.70 H new ATOM 0 HB3 GLU A 82 3.058 -5.697 -7.102 1.00 0.70 H new ATOM 0 HG2 GLU A 82 2.988 -6.128 -9.389 1.00 1.11 H new ATOM 0 HG3 GLU A 82 4.698 -5.855 -9.119 1.00 1.11 H new ATOM 1275 N THR A 83 4.256 -7.168 -4.224 1.00 0.49 N ATOM 1276 CA THR A 83 4.134 -6.890 -2.797 1.00 0.54 C ATOM 1277 C THR A 83 5.484 -6.435 -2.241 1.00 0.70 C ATOM 1278 O THR A 83 5.602 -5.400 -1.583 1.00 0.84 O ATOM 1279 CB THR A 83 3.647 -8.134 -2.026 1.00 0.56 C ATOM 1280 OG1 THR A 83 2.280 -8.335 -2.256 1.00 0.78 O ATOM 1281 CG2 THR A 83 3.823 -8.015 -0.508 1.00 0.89 C ATOM 0 H THR A 83 3.997 -8.115 -4.500 1.00 0.49 H new ATOM 0 HA THR A 83 3.397 -6.098 -2.667 1.00 0.54 H new ATOM 0 HB THR A 83 4.256 -8.961 -2.390 1.00 0.56 H new ATOM 0 HG1 THR A 83 1.778 -7.549 -1.954 1.00 0.78 H new ATOM 0 HG21 THR A 83 3.461 -8.924 -0.027 1.00 0.89 H new ATOM 0 HG22 THR A 83 4.879 -7.877 -0.274 1.00 0.89 H new ATOM 0 HG23 THR A 83 3.255 -7.160 -0.142 1.00 0.89 H new ATOM 1289 N LYS A 84 6.502 -7.257 -2.486 1.00 0.66 N ATOM 1290 CA LYS A 84 7.828 -7.155 -1.922 1.00 0.72 C ATOM 1291 C LYS A 84 8.455 -5.812 -2.268 1.00 0.67 C ATOM 1292 O LYS A 84 9.117 -5.227 -1.424 1.00 0.64 O ATOM 1293 CB LYS A 84 8.673 -8.344 -2.388 1.00 0.98 C ATOM 1294 CG LYS A 84 10.069 -8.367 -1.760 1.00 2.15 C ATOM 1295 CD LYS A 84 10.265 -9.658 -0.958 1.00 2.01 C ATOM 1296 CE LYS A 84 11.689 -9.736 -0.394 1.00 3.40 C ATOM 1297 NZ LYS A 84 11.848 -10.896 0.506 1.00 3.97 N ATOM 0 H LYS A 84 6.409 -8.052 -3.119 1.00 0.66 H new ATOM 0 HA LYS A 84 7.774 -7.197 -0.834 1.00 0.72 H new ATOM 0 HB2 LYS A 84 8.154 -9.270 -2.142 1.00 0.98 H new ATOM 0 HB3 LYS A 84 8.769 -8.312 -3.473 1.00 0.98 H new ATOM 0 HG2 LYS A 84 10.828 -8.295 -2.539 1.00 2.15 H new ATOM 0 HG3 LYS A 84 10.198 -7.502 -1.109 1.00 2.15 H new ATOM 0 HD2 LYS A 84 9.543 -9.698 -0.142 1.00 2.01 H new ATOM 0 HD3 LYS A 84 10.074 -10.521 -1.596 1.00 2.01 H new ATOM 0 HE2 LYS A 84 12.403 -9.809 -1.214 1.00 3.40 H new ATOM 0 HE3 LYS A 84 11.918 -8.819 0.148 1.00 3.40 H new ATOM 0 HZ1 LYS A 84 12.821 -10.921 0.871 1.00 3.97 H new ATOM 0 HZ2 LYS A 84 11.182 -10.813 1.301 1.00 3.97 H new ATOM 0 HZ3 LYS A 84 11.652 -11.772 -0.019 1.00 3.97 H new ATOM 1311 N SER A 85 8.249 -5.297 -3.476 1.00 0.69 N ATOM 1312 CA SER A 85 8.641 -3.944 -3.827 1.00 0.67 C ATOM 1313 C SER A 85 8.102 -2.921 -2.825 1.00 0.58 C ATOM 1314 O SER A 85 8.839 -2.042 -2.383 1.00 0.63 O ATOM 1315 CB SER A 85 8.121 -3.622 -5.220 1.00 0.73 C ATOM 1316 OG SER A 85 8.685 -4.492 -6.177 1.00 1.25 O ATOM 0 H SER A 85 7.805 -5.810 -4.237 1.00 0.69 H new ATOM 0 HA SER A 85 9.729 -3.886 -3.806 1.00 0.67 H new ATOM 0 HB2 SER A 85 7.035 -3.710 -5.237 1.00 0.73 H new ATOM 0 HB3 SER A 85 8.361 -2.590 -5.474 1.00 0.73 H new ATOM 0 HG SER A 85 8.541 -4.128 -7.075 1.00 1.25 H new ATOM 1322 N LEU A 86 6.816 -3.017 -2.473 1.00 0.52 N ATOM 1323 CA LEU A 86 6.221 -2.127 -1.489 1.00 0.51 C ATOM 1324 C LEU A 86 6.877 -2.401 -0.135 1.00 0.47 C ATOM 1325 O LEU A 86 7.468 -1.498 0.466 1.00 0.47 O ATOM 1326 CB LEU A 86 4.690 -2.296 -1.463 1.00 0.56 C ATOM 1327 CG LEU A 86 3.954 -0.961 -1.252 1.00 1.03 C ATOM 1328 CD1 LEU A 86 2.437 -1.189 -1.246 1.00 1.89 C ATOM 1329 CD2 LEU A 86 4.365 -0.288 0.058 1.00 2.22 C ATOM 0 H LEU A 86 6.171 -3.706 -2.860 1.00 0.52 H new ATOM 0 HA LEU A 86 6.401 -1.084 -1.750 1.00 0.51 H new ATOM 0 HB2 LEU A 86 4.361 -2.744 -2.400 1.00 0.56 H new ATOM 0 HB3 LEU A 86 4.417 -2.988 -0.666 1.00 0.56 H new ATOM 0 HG LEU A 86 4.230 -0.304 -2.077 1.00 1.03 H new ATOM 0 HD11 LEU A 86 1.927 -0.238 -1.096 1.00 1.89 H new ATOM 0 HD12 LEU A 86 2.130 -1.619 -2.199 1.00 1.89 H new ATOM 0 HD13 LEU A 86 2.175 -1.873 -0.438 1.00 1.89 H new ATOM 0 HD21 LEU A 86 3.823 0.651 0.170 1.00 2.22 H new ATOM 0 HD22 LEU A 86 4.128 -0.945 0.895 1.00 2.22 H new ATOM 0 HD23 LEU A 86 5.437 -0.090 0.044 1.00 2.22 H new ATOM 1341 N MET A 87 6.813 -3.663 0.309 1.00 0.47 N ATOM 1342 CA MET A 87 7.410 -4.105 1.564 1.00 0.47 C ATOM 1343 C MET A 87 8.836 -3.563 1.745 1.00 0.47 C ATOM 1344 O MET A 87 9.199 -3.103 2.820 1.00 0.50 O ATOM 1345 CB MET A 87 7.414 -5.636 1.630 1.00 0.60 C ATOM 1346 CG MET A 87 7.729 -6.162 3.040 1.00 0.79 C ATOM 1347 SD MET A 87 8.910 -7.536 3.119 1.00 1.92 S ATOM 1348 CE MET A 87 10.441 -6.694 2.658 1.00 3.43 C ATOM 0 H MET A 87 6.340 -4.408 -0.202 1.00 0.47 H new ATOM 0 HA MET A 87 6.804 -3.706 2.377 1.00 0.47 H new ATOM 0 HB2 MET A 87 6.441 -6.013 1.314 1.00 0.60 H new ATOM 0 HB3 MET A 87 8.151 -6.025 0.927 1.00 0.60 H new ATOM 0 HG2 MET A 87 8.118 -5.337 3.637 1.00 0.79 H new ATOM 0 HG3 MET A 87 6.797 -6.481 3.506 1.00 0.79 H new ATOM 0 HE1 MET A 87 11.264 -7.408 2.661 1.00 3.43 H new ATOM 0 HE2 MET A 87 10.335 -6.266 1.661 1.00 3.43 H new ATOM 0 HE3 MET A 87 10.649 -5.899 3.374 1.00 3.43 H new ATOM 1358 N ALA A 88 9.650 -3.640 0.694 1.00 0.57 N ATOM 1359 CA ALA A 88 11.073 -3.345 0.690 1.00 0.59 C ATOM 1360 C ALA A 88 11.367 -1.912 1.131 1.00 0.53 C ATOM 1361 O ALA A 88 12.306 -1.685 1.885 1.00 0.59 O ATOM 1362 CB ALA A 88 11.630 -3.621 -0.713 1.00 0.67 C ATOM 0 H ALA A 88 9.312 -3.926 -0.225 1.00 0.57 H new ATOM 0 HA ALA A 88 11.567 -3.992 1.416 1.00 0.59 H new ATOM 0 HB1 ALA A 88 12.698 -3.403 -0.730 1.00 0.67 H new ATOM 0 HB2 ALA A 88 11.469 -4.668 -0.969 1.00 0.67 H new ATOM 0 HB3 ALA A 88 11.119 -2.988 -1.438 1.00 0.67 H new ATOM 1368 N ALA A 89 10.591 -0.943 0.637 1.00 0.48 N ATOM 1369 CA ALA A 89 10.778 0.465 0.979 1.00 0.48 C ATOM 1370 C ALA A 89 9.958 0.855 2.205 1.00 0.44 C ATOM 1371 O ALA A 89 10.340 1.756 2.949 1.00 0.64 O ATOM 1372 CB ALA A 89 10.370 1.330 -0.205 1.00 0.59 C ATOM 0 H ALA A 89 9.820 -1.114 -0.008 1.00 0.48 H new ATOM 0 HA ALA A 89 11.831 0.623 1.214 1.00 0.48 H new ATOM 0 HB1 ALA A 89 10.509 2.381 0.048 1.00 0.59 H new ATOM 0 HB2 ALA A 89 10.987 1.080 -1.068 1.00 0.59 H new ATOM 0 HB3 ALA A 89 9.322 1.149 -0.444 1.00 0.59 H new ATOM 1378 N ALA A 90 8.802 0.216 2.385 1.00 0.28 N ATOM 1379 CA ALA A 90 7.962 0.413 3.554 1.00 0.28 C ATOM 1380 C ALA A 90 8.698 -0.004 4.822 1.00 0.28 C ATOM 1381 O ALA A 90 8.707 0.735 5.803 1.00 0.34 O ATOM 1382 CB ALA A 90 6.694 -0.413 3.367 1.00 0.33 C ATOM 0 H ALA A 90 8.425 -0.456 1.717 1.00 0.28 H new ATOM 0 HA ALA A 90 7.708 1.468 3.660 1.00 0.28 H new ATOM 0 HB1 ALA A 90 6.044 -0.283 4.232 1.00 0.33 H new ATOM 0 HB2 ALA A 90 6.173 -0.081 2.469 1.00 0.33 H new ATOM 0 HB3 ALA A 90 6.957 -1.466 3.266 1.00 0.33 H new ATOM 1388 N ASP A 91 9.305 -1.190 4.817 1.00 0.27 N ATOM 1389 CA ASP A 91 10.049 -1.672 5.960 1.00 0.30 C ATOM 1390 C ASP A 91 11.335 -0.864 6.087 1.00 0.36 C ATOM 1391 O ASP A 91 12.192 -0.939 5.211 1.00 1.01 O ATOM 1392 CB ASP A 91 10.358 -3.162 5.829 1.00 0.35 C ATOM 1393 CG ASP A 91 10.977 -3.633 7.126 1.00 0.49 C ATOM 1394 OD1 ASP A 91 10.197 -3.880 8.071 1.00 0.90 O ATOM 1395 OD2 ASP A 91 12.216 -3.723 7.219 1.00 0.54 O ATOM 0 H ASP A 91 9.291 -1.832 4.024 1.00 0.27 H new ATOM 0 HA ASP A 91 9.446 -1.545 6.859 1.00 0.30 H new ATOM 0 HB2 ASP A 91 9.447 -3.722 5.617 1.00 0.35 H new ATOM 0 HB3 ASP A 91 11.040 -3.337 4.997 1.00 0.35 H new ATOM 1400 N ASN A 92 11.473 -0.087 7.163 1.00 0.91 N ATOM 1401 CA ASN A 92 12.656 0.746 7.380 1.00 1.02 C ATOM 1402 C ASN A 92 13.472 0.186 8.540 1.00 0.97 C ATOM 1403 O ASN A 92 14.079 0.933 9.304 1.00 1.20 O ATOM 1404 CB ASN A 92 12.265 2.225 7.523 1.00 1.24 C ATOM 1405 CG ASN A 92 11.969 2.815 6.147 1.00 1.78 C ATOM 1406 OD1 ASN A 92 12.778 3.550 5.589 1.00 3.10 O ATOM 1407 ND2 ASN A 92 10.836 2.452 5.559 1.00 2.78 N ATOM 0 H ASN A 92 10.774 -0.018 7.903 1.00 0.91 H new ATOM 0 HA ASN A 92 13.309 0.714 6.508 1.00 1.02 H new ATOM 0 HB2 ASN A 92 11.390 2.319 8.165 1.00 1.24 H new ATOM 0 HB3 ASN A 92 13.072 2.780 8.001 1.00 1.24 H new ATOM 0 HD21 ASN A 92 10.619 2.785 4.620 1.00 2.78 H new ATOM 0 HD22 ASN A 92 10.182 1.840 6.047 1.00 2.78 H new ATOM 1414 N ASP A 93 13.515 -1.148 8.622 1.00 0.83 N ATOM 1415 CA ASP A 93 14.339 -1.904 9.557 1.00 0.83 C ATOM 1416 C ASP A 93 15.321 -2.796 8.794 1.00 0.74 C ATOM 1417 O ASP A 93 16.498 -2.878 9.140 1.00 0.88 O ATOM 1418 CB ASP A 93 13.457 -2.800 10.437 1.00 0.88 C ATOM 1419 CG ASP A 93 12.600 -2.034 11.428 1.00 0.95 C ATOM 1420 OD1 ASP A 93 13.175 -1.461 12.374 1.00 1.43 O ATOM 1421 OD2 ASP A 93 11.361 -2.082 11.237 1.00 0.76 O ATOM 0 H ASP A 93 12.955 -1.747 8.016 1.00 0.83 H new ATOM 0 HA ASP A 93 14.885 -1.194 10.178 1.00 0.83 H new ATOM 0 HB2 ASP A 93 12.809 -3.397 9.796 1.00 0.88 H new ATOM 0 HB3 ASP A 93 14.094 -3.496 10.983 1.00 0.88 H new ATOM 1426 N GLY A 94 14.809 -3.519 7.796 1.00 0.63 N ATOM 1427 CA GLY A 94 15.388 -4.745 7.285 1.00 0.68 C ATOM 1428 C GLY A 94 14.810 -5.924 8.070 1.00 0.70 C ATOM 1429 O GLY A 94 15.553 -6.842 8.418 1.00 0.87 O ATOM 0 H GLY A 94 13.952 -3.251 7.311 1.00 0.63 H new ATOM 0 HA2 GLY A 94 15.167 -4.853 6.223 1.00 0.68 H new ATOM 0 HA3 GLY A 94 16.473 -4.721 7.384 1.00 0.68 H new ATOM 1433 N ASP A 95 13.497 -5.898 8.351 1.00 0.59 N ATOM 1434 CA ASP A 95 12.790 -6.943 9.094 1.00 0.59 C ATOM 1435 C ASP A 95 11.649 -7.515 8.244 1.00 0.60 C ATOM 1436 O ASP A 95 11.616 -8.719 8.000 1.00 0.69 O ATOM 1437 CB ASP A 95 12.365 -6.453 10.497 1.00 0.57 C ATOM 1438 CG ASP A 95 10.885 -6.141 10.641 1.00 1.04 C ATOM 1439 OD1 ASP A 95 10.106 -7.116 10.679 1.00 2.69 O ATOM 1440 OD2 ASP A 95 10.534 -4.937 10.682 1.00 1.21 O ATOM 0 H ASP A 95 12.889 -5.133 8.060 1.00 0.59 H new ATOM 0 HA ASP A 95 13.468 -7.774 9.289 1.00 0.59 H new ATOM 0 HB2 ASP A 95 12.635 -7.214 11.229 1.00 0.57 H new ATOM 0 HB3 ASP A 95 12.936 -5.558 10.742 1.00 0.57 H new ATOM 1445 N GLY A 96 10.745 -6.655 7.757 1.00 0.56 N ATOM 1446 CA GLY A 96 9.645 -7.033 6.880 1.00 0.58 C ATOM 1447 C GLY A 96 8.296 -6.663 7.493 1.00 0.60 C ATOM 1448 O GLY A 96 7.388 -6.241 6.779 1.00 0.70 O ATOM 0 H GLY A 96 10.764 -5.658 7.970 1.00 0.56 H new ATOM 0 HA2 GLY A 96 9.758 -6.536 5.916 1.00 0.58 H new ATOM 0 HA3 GLY A 96 9.679 -8.106 6.691 1.00 0.58 H new ATOM 1452 N LYS A 97 8.148 -6.820 8.811 1.00 0.61 N ATOM 1453 CA LYS A 97 6.939 -6.446 9.527 1.00 0.68 C ATOM 1454 C LYS A 97 6.859 -4.920 9.522 1.00 0.61 C ATOM 1455 O LYS A 97 7.793 -4.247 9.973 1.00 0.65 O ATOM 1456 CB LYS A 97 6.992 -6.992 10.961 1.00 0.76 C ATOM 1457 CG LYS A 97 7.213 -8.513 10.991 1.00 2.05 C ATOM 1458 CD LYS A 97 7.730 -8.945 12.365 1.00 2.00 C ATOM 1459 CE LYS A 97 8.112 -10.431 12.333 1.00 3.60 C ATOM 1460 NZ LYS A 97 8.737 -10.864 13.597 1.00 4.16 N ATOM 0 H LYS A 97 8.873 -7.214 9.410 1.00 0.61 H new ATOM 0 HA LYS A 97 6.053 -6.866 9.050 1.00 0.68 H new ATOM 0 HB2 LYS A 97 7.796 -6.498 11.507 1.00 0.76 H new ATOM 0 HB3 LYS A 97 6.062 -6.751 11.475 1.00 0.76 H new ATOM 0 HG2 LYS A 97 6.279 -9.028 10.768 1.00 2.05 H new ATOM 0 HG3 LYS A 97 7.927 -8.799 10.219 1.00 2.05 H new ATOM 0 HD2 LYS A 97 8.595 -8.344 12.644 1.00 2.00 H new ATOM 0 HD3 LYS A 97 6.965 -8.773 13.122 1.00 2.00 H new ATOM 0 HE2 LYS A 97 7.222 -11.031 12.144 1.00 3.60 H new ATOM 0 HE3 LYS A 97 8.800 -10.612 11.507 1.00 3.60 H new ATOM 0 HZ1 LYS A 97 8.981 -11.873 13.536 1.00 4.16 H new ATOM 0 HZ2 LYS A 97 9.600 -10.309 13.765 1.00 4.16 H new ATOM 0 HZ3 LYS A 97 8.071 -10.715 14.382 1.00 4.16 H new ATOM 1474 N ILE A 98 5.778 -4.360 8.985 1.00 0.57 N ATOM 1475 CA ILE A 98 5.647 -2.925 8.802 1.00 0.49 C ATOM 1476 C ILE A 98 4.679 -2.389 9.846 1.00 0.50 C ATOM 1477 O ILE A 98 3.571 -2.897 9.980 1.00 0.71 O ATOM 1478 CB ILE A 98 5.210 -2.664 7.355 1.00 0.45 C ATOM 1479 CG1 ILE A 98 6.446 -2.844 6.459 1.00 0.43 C ATOM 1480 CG2 ILE A 98 4.622 -1.265 7.147 1.00 0.51 C ATOM 1481 CD1 ILE A 98 6.075 -3.382 5.083 1.00 0.47 C ATOM 0 H ILE A 98 4.969 -4.893 8.665 1.00 0.57 H new ATOM 0 HA ILE A 98 6.589 -2.397 8.951 1.00 0.49 H new ATOM 0 HB ILE A 98 4.417 -3.368 7.102 1.00 0.45 H new ATOM 0 HG12 ILE A 98 6.958 -1.888 6.349 1.00 0.43 H new ATOM 0 HG13 ILE A 98 7.147 -3.527 6.939 1.00 0.43 H new ATOM 0 HG21 ILE A 98 4.333 -1.143 6.103 1.00 0.51 H new ATOM 0 HG22 ILE A 98 3.746 -1.140 7.783 1.00 0.51 H new ATOM 0 HG23 ILE A 98 5.369 -0.514 7.406 1.00 0.51 H new ATOM 0 HD11 ILE A 98 6.977 -3.495 4.481 1.00 0.47 H new ATOM 0 HD12 ILE A 98 5.587 -4.351 5.191 1.00 0.47 H new ATOM 0 HD13 ILE A 98 5.395 -2.686 4.591 1.00 0.47 H new ATOM 1493 N GLY A 99 5.083 -1.365 10.597 1.00 0.54 N ATOM 1494 CA GLY A 99 4.153 -0.651 11.458 1.00 0.55 C ATOM 1495 C GLY A 99 3.425 0.437 10.669 1.00 0.52 C ATOM 1496 O GLY A 99 3.930 0.929 9.658 1.00 0.42 O ATOM 0 H GLY A 99 6.041 -1.017 10.624 1.00 0.54 H new ATOM 0 HA2 GLY A 99 3.430 -1.349 11.880 1.00 0.55 H new ATOM 0 HA3 GLY A 99 4.691 -0.204 12.294 1.00 0.55 H new ATOM 1500 N ALA A 100 2.263 0.878 11.170 1.00 0.69 N ATOM 1501 CA ALA A 100 1.592 2.072 10.676 1.00 0.65 C ATOM 1502 C ALA A 100 2.570 3.244 10.649 1.00 0.58 C ATOM 1503 O ALA A 100 2.497 4.085 9.759 1.00 0.52 O ATOM 1504 CB ALA A 100 0.395 2.403 11.572 1.00 0.80 C ATOM 0 H ALA A 100 1.767 0.411 11.930 1.00 0.69 H new ATOM 0 HA ALA A 100 1.235 1.889 9.663 1.00 0.65 H new ATOM 0 HB1 ALA A 100 -0.103 3.297 11.198 1.00 0.80 H new ATOM 0 HB2 ALA A 100 -0.306 1.568 11.566 1.00 0.80 H new ATOM 0 HB3 ALA A 100 0.741 2.580 12.590 1.00 0.80 H new ATOM 1510 N GLU A 101 3.483 3.284 11.624 1.00 0.69 N ATOM 1511 CA GLU A 101 4.495 4.315 11.732 1.00 0.69 C ATOM 1512 C GLU A 101 5.416 4.302 10.502 1.00 0.49 C ATOM 1513 O GLU A 101 5.406 5.259 9.727 1.00 0.52 O ATOM 1514 CB GLU A 101 5.228 4.158 13.071 1.00 0.88 C ATOM 1515 CG GLU A 101 6.058 5.393 13.431 1.00 1.53 C ATOM 1516 CD GLU A 101 6.457 5.347 14.900 1.00 1.62 C ATOM 1517 OE1 GLU A 101 7.287 4.476 15.235 1.00 2.48 O ATOM 1518 OE2 GLU A 101 5.879 6.145 15.669 1.00 2.03 O ATOM 0 H GLU A 101 3.532 2.587 12.367 1.00 0.69 H new ATOM 0 HA GLU A 101 4.039 5.305 11.735 1.00 0.69 H new ATOM 0 HB2 GLU A 101 4.500 3.970 13.860 1.00 0.88 H new ATOM 0 HB3 GLU A 101 5.880 3.286 13.025 1.00 0.88 H new ATOM 0 HG2 GLU A 101 6.950 5.436 12.805 1.00 1.53 H new ATOM 0 HG3 GLU A 101 5.484 6.298 13.231 1.00 1.53 H new ATOM 1525 N GLU A 102 6.140 3.193 10.282 1.00 0.37 N ATOM 1526 CA GLU A 102 6.942 2.960 9.080 1.00 0.26 C ATOM 1527 C GLU A 102 6.148 3.358 7.829 1.00 0.28 C ATOM 1528 O GLU A 102 6.633 4.070 6.947 1.00 0.34 O ATOM 1529 CB GLU A 102 7.340 1.473 8.987 1.00 0.27 C ATOM 1530 CG GLU A 102 8.371 1.021 10.032 1.00 0.50 C ATOM 1531 CD GLU A 102 8.744 -0.448 9.866 1.00 0.52 C ATOM 1532 OE1 GLU A 102 9.695 -0.800 9.136 1.00 2.19 O ATOM 1533 OE2 GLU A 102 8.115 -1.332 10.488 1.00 1.73 O ATOM 0 H GLU A 102 6.182 2.422 10.949 1.00 0.37 H new ATOM 0 HA GLU A 102 7.844 3.569 9.141 1.00 0.26 H new ATOM 0 HB2 GLU A 102 6.443 0.863 9.093 1.00 0.27 H new ATOM 0 HB3 GLU A 102 7.741 1.279 7.992 1.00 0.27 H new ATOM 0 HG2 GLU A 102 9.268 1.635 9.946 1.00 0.50 H new ATOM 0 HG3 GLU A 102 7.969 1.182 11.032 1.00 0.50 H new ATOM 1540 N PHE A 103 4.904 2.884 7.752 1.00 0.29 N ATOM 1541 CA PHE A 103 4.078 3.108 6.580 1.00 0.36 C ATOM 1542 C PHE A 103 3.743 4.596 6.403 1.00 0.43 C ATOM 1543 O PHE A 103 3.819 5.110 5.291 1.00 0.53 O ATOM 1544 CB PHE A 103 2.856 2.172 6.621 1.00 0.48 C ATOM 1545 CG PHE A 103 2.476 1.536 5.297 1.00 1.03 C ATOM 1546 CD1 PHE A 103 3.456 0.870 4.540 1.00 2.24 C ATOM 1547 CD2 PHE A 103 1.125 1.382 4.945 1.00 2.03 C ATOM 1548 CE1 PHE A 103 3.093 0.088 3.432 1.00 2.76 C ATOM 1549 CE2 PHE A 103 0.774 0.713 3.759 1.00 2.52 C ATOM 1550 CZ PHE A 103 1.757 0.050 3.008 1.00 2.41 C ATOM 0 H PHE A 103 4.453 2.344 8.490 1.00 0.29 H new ATOM 0 HA PHE A 103 4.633 2.849 5.678 1.00 0.36 H new ATOM 0 HB2 PHE A 103 3.052 1.379 7.342 1.00 0.48 H new ATOM 0 HB3 PHE A 103 2.000 2.736 6.992 1.00 0.48 H new ATOM 0 HD1 PHE A 103 4.497 0.961 4.813 1.00 2.24 H new ATOM 0 HD2 PHE A 103 0.353 1.779 5.588 1.00 2.03 H new ATOM 0 HE1 PHE A 103 3.843 -0.484 2.906 1.00 2.76 H new ATOM 0 HE2 PHE A 103 -0.253 0.709 3.426 1.00 2.52 H new ATOM 0 HZ PHE A 103 1.486 -0.486 2.110 1.00 2.41 H new ATOM 1560 N GLN A 104 3.415 5.314 7.482 1.00 0.48 N ATOM 1561 CA GLN A 104 3.210 6.760 7.444 1.00 0.55 C ATOM 1562 C GLN A 104 4.508 7.434 7.002 1.00 0.52 C ATOM 1563 O GLN A 104 4.440 8.328 6.172 1.00 0.62 O ATOM 1564 CB GLN A 104 2.762 7.283 8.815 1.00 0.67 C ATOM 1565 CG GLN A 104 2.166 8.694 8.681 1.00 0.82 C ATOM 1566 CD GLN A 104 1.928 9.343 10.039 1.00 1.40 C ATOM 1567 OE1 GLN A 104 2.440 10.420 10.322 1.00 2.40 O ATOM 1568 NE2 GLN A 104 1.139 8.701 10.896 1.00 2.72 N ATOM 0 H GLN A 104 3.285 4.905 8.407 1.00 0.48 H new ATOM 0 HA GLN A 104 2.420 6.995 6.731 1.00 0.55 H new ATOM 0 HB2 GLN A 104 2.022 6.608 9.245 1.00 0.67 H new ATOM 0 HB3 GLN A 104 3.611 7.303 9.499 1.00 0.67 H new ATOM 0 HG2 GLN A 104 2.840 9.318 8.094 1.00 0.82 H new ATOM 0 HG3 GLN A 104 1.224 8.640 8.135 1.00 0.82 H new ATOM 0 HE21 GLN A 104 0.725 7.806 10.636 1.00 2.72 H new ATOM 0 HE22 GLN A 104 0.948 9.104 11.813 1.00 2.72 H new ATOM 1577 N GLU A 105 5.679 7.034 7.514 1.00 0.47 N ATOM 1578 CA GLU A 105 6.935 7.618 7.046 1.00 0.44 C ATOM 1579 C GLU A 105 7.056 7.506 5.528 1.00 0.41 C ATOM 1580 O GLU A 105 7.283 8.507 4.853 1.00 0.47 O ATOM 1581 CB GLU A 105 8.163 6.981 7.709 1.00 0.43 C ATOM 1582 CG GLU A 105 8.368 7.485 9.142 1.00 0.73 C ATOM 1583 CD GLU A 105 9.802 7.248 9.599 1.00 2.01 C ATOM 1584 OE1 GLU A 105 10.693 7.890 9.001 1.00 2.98 O ATOM 1585 OE2 GLU A 105 9.983 6.433 10.527 1.00 3.12 O ATOM 0 H GLU A 105 5.780 6.323 8.238 1.00 0.47 H new ATOM 0 HA GLU A 105 6.911 8.669 7.332 1.00 0.44 H new ATOM 0 HB2 GLU A 105 8.048 5.897 7.719 1.00 0.43 H new ATOM 0 HB3 GLU A 105 9.051 7.202 7.116 1.00 0.43 H new ATOM 0 HG2 GLU A 105 8.136 8.549 9.195 1.00 0.73 H new ATOM 0 HG3 GLU A 105 7.678 6.974 9.814 1.00 0.73 H new ATOM 1592 N MET A 106 6.899 6.293 4.989 1.00 0.38 N ATOM 1593 CA MET A 106 7.018 6.087 3.553 1.00 0.48 C ATOM 1594 C MET A 106 5.995 6.984 2.848 1.00 0.62 C ATOM 1595 O MET A 106 6.326 7.799 1.989 1.00 0.79 O ATOM 1596 CB MET A 106 6.816 4.597 3.206 1.00 0.66 C ATOM 1597 CG MET A 106 7.892 4.060 2.250 1.00 1.06 C ATOM 1598 SD MET A 106 8.102 4.930 0.674 1.00 2.68 S ATOM 1599 CE MET A 106 9.789 5.547 0.885 1.00 2.70 C ATOM 0 H MET A 106 6.691 5.450 5.524 1.00 0.38 H new ATOM 0 HA MET A 106 8.017 6.358 3.211 1.00 0.48 H new ATOM 0 HB2 MET A 106 6.826 4.010 4.124 1.00 0.66 H new ATOM 0 HB3 MET A 106 5.834 4.464 2.753 1.00 0.66 H new ATOM 0 HG2 MET A 106 8.848 4.073 2.774 1.00 1.06 H new ATOM 0 HG3 MET A 106 7.662 3.017 2.033 1.00 1.06 H new ATOM 0 HE1 MET A 106 10.083 6.111 -0.000 1.00 2.70 H new ATOM 0 HE2 MET A 106 9.832 6.196 1.760 1.00 2.70 H new ATOM 0 HE3 MET A 106 10.469 4.707 1.023 1.00 2.70 H new ATOM 1609 N VAL A 107 4.736 6.840 3.255 1.00 0.64 N ATOM 1610 CA VAL A 107 3.604 7.434 2.574 1.00 0.73 C ATOM 1611 C VAL A 107 3.487 8.949 2.818 1.00 1.04 C ATOM 1612 O VAL A 107 2.775 9.637 2.094 1.00 1.56 O ATOM 1613 CB VAL A 107 2.340 6.636 2.932 1.00 0.62 C ATOM 1614 CG1 VAL A 107 1.108 7.238 2.265 1.00 0.80 C ATOM 1615 CG2 VAL A 107 2.447 5.185 2.435 1.00 0.51 C ATOM 0 H VAL A 107 4.477 6.298 4.080 1.00 0.64 H new ATOM 0 HA VAL A 107 3.750 7.365 1.496 1.00 0.73 H new ATOM 0 HB VAL A 107 2.248 6.669 4.018 1.00 0.62 H new ATOM 0 HG11 VAL A 107 0.227 6.655 2.534 1.00 0.80 H new ATOM 0 HG12 VAL A 107 0.979 8.267 2.601 1.00 0.80 H new ATOM 0 HG13 VAL A 107 1.236 7.223 1.183 1.00 0.80 H new ATOM 0 HG21 VAL A 107 1.540 4.642 2.701 1.00 0.51 H new ATOM 0 HG22 VAL A 107 2.569 5.179 1.352 1.00 0.51 H new ATOM 0 HG23 VAL A 107 3.308 4.704 2.900 1.00 0.51 H new ATOM 1625 N HIS A 108 4.169 9.505 3.819 1.00 0.83 N ATOM 1626 CA HIS A 108 4.184 10.943 4.053 1.00 0.95 C ATOM 1627 C HIS A 108 5.444 11.588 3.461 1.00 1.10 C ATOM 1628 O HIS A 108 5.655 12.784 3.662 1.00 1.44 O ATOM 1629 CB HIS A 108 4.040 11.236 5.554 1.00 1.23 C ATOM 1630 CG HIS A 108 3.676 12.666 5.883 1.00 1.68 C ATOM 1631 ND1 HIS A 108 2.991 13.541 5.068 1.00 2.29 N ATOM 1632 CD2 HIS A 108 3.898 13.302 7.075 1.00 2.47 C ATOM 1633 CE1 HIS A 108 2.803 14.676 5.761 1.00 2.55 C ATOM 1634 NE2 HIS A 108 3.323 14.575 6.994 1.00 2.62 N ATOM 0 H HIS A 108 4.724 8.970 4.487 1.00 0.83 H new ATOM 0 HA HIS A 108 3.332 11.390 3.541 1.00 0.95 H new ATOM 0 HB2 HIS A 108 3.278 10.576 5.968 1.00 1.23 H new ATOM 0 HB3 HIS A 108 4.979 10.990 6.051 1.00 1.23 H new ATOM 0 HD2 HIS A 108 4.423 12.894 7.926 1.00 2.47 H new ATOM 0 HE1 HIS A 108 2.301 15.552 5.378 1.00 2.55 H new ATOM 0 HE2 HIS A 108 3.303 15.285 7.726 1.00 2.62 H new ATOM 1642 N SER A 109 6.285 10.809 2.770 1.00 1.06 N ATOM 1643 CA SER A 109 7.500 11.324 2.160 1.00 1.27 C ATOM 1644 C SER A 109 7.200 12.045 0.837 1.00 1.73 C ATOM 1645 O SER A 109 8.197 12.370 0.150 1.00 2.05 O ATOM 1646 CB SER A 109 8.489 10.171 1.941 1.00 1.21 C ATOM 1647 OG SER A 109 9.713 10.680 1.447 1.00 1.53 O ATOM 1648 OXT SER A 109 6.007 12.228 0.504 1.00 2.40 O ATOM 0 H SER A 109 6.137 9.811 2.623 1.00 1.06 H new ATOM 0 HA SER A 109 7.945 12.057 2.833 1.00 1.27 H new ATOM 0 HB2 SER A 109 8.657 9.640 2.878 1.00 1.21 H new ATOM 0 HB3 SER A 109 8.073 9.451 1.237 1.00 1.21 H new ATOM 0 HG SER A 109 9.533 11.386 0.792 1.00 1.53 H new TER 1654 SER A 109 HETATM 1655 CA CA A 110 9.736 -2.954 10.039 1.00 0.49 CA HETATM 1656 CA CA A 111 -1.687 -7.155 11.431 1.00 1.05 CA