USER MOD reduce.3.24.130724 H: found=0, std=0, add=606, rem=0, adj=17 USER MOD reduce.3.24.130724 removed 608 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 50 GLN : amide:sc= -0.385 X(o=-0.37,f=-0.78) USER MOD Set 1.2: A 84 CYS SG : rot -122:sc= 0.0121 USER MOD Single : A 5 TYR OH : rot 180:sc= 0 USER MOD Single : A 6 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 11 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 13 THR OG1 : rot 180:sc= 0.00428 USER MOD Single : A 16 GLN :FLIP amide:sc= -4.81! C(o=-5.5!,f=-4.8!) USER MOD Single : A 17 LYS NZ :NH3+ 144:sc= -0.0503 (180deg=-0.604) USER MOD Single : A 18 ASN : amide:sc= -8.48! C(o=-8.5!,f=-13!) USER MOD Single : A 21 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 35 CYS SG : rot -18:sc= -5.25! USER MOD Single : A 37 SER OG : rot 180:sc= 0 USER MOD Single : A 38 THR OG1 : rot -89:sc= 0.99 USER MOD Single : A 39 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 43 LYS NZ :NH3+ -152:sc= -0.0201 (180deg=-0.458) USER MOD Single : A 45 MET CE :methyl -144:sc= -1.07 (180deg=-3.75!) USER MOD Single : A 47 MET CE :methyl 164:sc= -0.149 (180deg=-0.76) USER MOD Single : A 51 ASN : amide:sc= -0.207 X(o=-0.21,f=0) USER MOD Single : A 53 THR OG1 : rot 180:sc= 0 USER MOD Single : A 58 GLN : amide:sc= -0.143 K(o=-0.14,f=-2.2!) USER MOD Single : A 60 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 69 SER OG : rot 180:sc= 0 USER MOD Single : A 71 THR OG1 : rot 180:sc= 0 USER MOD Single : A 80 MET CE :methyl 128:sc= -4.65! (180deg=-6.67!) USER MOD Single : A 81 MET CE :methyl -126:sc= -0.295 (180deg=-1.51) USER MOD Single : A 85 MET CE :methyl -177:sc= 0 (180deg=-0.00188) USER MOD ----------------------------------------------------------------- ATOM 44 N ILE A 4 83.657 2.671 3.254 1.00 0.90 N ATOM 45 CA ILE A 4 83.463 1.357 3.933 1.00 0.89 C ATOM 46 C ILE A 4 82.107 0.758 3.547 1.00 0.82 C ATOM 47 O ILE A 4 81.905 -0.439 3.612 1.00 0.85 O ATOM 48 CB ILE A 4 83.502 1.675 5.428 1.00 0.85 C ATOM 49 CG1 ILE A 4 82.209 2.388 5.830 1.00 1.02 C ATOM 50 CG2 ILE A 4 84.696 2.583 5.726 1.00 0.75 C ATOM 51 CD1 ILE A 4 81.236 1.378 6.441 1.00 1.74 C ATOM 0 HA ILE A 4 84.224 0.629 3.651 1.00 0.89 H new ATOM 0 HB ILE A 4 83.600 0.749 5.994 1.00 0.85 H new ATOM 0 HG12 ILE A 4 82.426 3.179 6.547 1.00 1.02 H new ATOM 0 HG13 ILE A 4 81.757 2.863 4.959 1.00 1.02 H new ATOM 0 HG21 ILE A 4 84.724 2.810 6.792 1.00 0.75 H new ATOM 0 HG22 ILE A 4 85.618 2.078 5.438 1.00 0.75 H new ATOM 0 HG23 ILE A 4 84.598 3.510 5.160 1.00 0.75 H new ATOM 0 HD11 ILE A 4 80.315 1.887 6.727 1.00 1.74 H new ATOM 0 HD12 ILE A 4 81.010 0.602 5.709 1.00 1.74 H new ATOM 0 HD13 ILE A 4 81.689 0.924 7.323 1.00 1.74 H new ATOM 63 N TYR A 5 81.178 1.580 3.145 1.00 0.78 N ATOM 64 CA TYR A 5 79.836 1.058 2.756 1.00 0.78 C ATOM 65 C TYR A 5 79.930 0.283 1.439 1.00 0.92 C ATOM 66 O TYR A 5 79.091 -0.540 1.130 1.00 0.99 O ATOM 67 CB TYR A 5 78.962 2.300 2.585 1.00 0.78 C ATOM 68 CG TYR A 5 78.924 3.073 3.881 1.00 0.92 C ATOM 69 CD1 TYR A 5 77.971 2.757 4.857 1.00 1.77 C ATOM 70 CD2 TYR A 5 79.841 4.106 4.107 1.00 1.31 C ATOM 71 CE1 TYR A 5 77.935 3.475 6.059 1.00 2.00 C ATOM 72 CE2 TYR A 5 79.806 4.824 5.310 1.00 1.36 C ATOM 73 CZ TYR A 5 78.852 4.508 6.285 1.00 1.35 C ATOM 74 OH TYR A 5 78.817 5.214 7.470 1.00 1.60 O ATOM 0 H TYR A 5 81.289 2.591 3.069 1.00 0.78 H new ATOM 0 HA TYR A 5 79.429 0.372 3.499 1.00 0.78 H new ATOM 0 HB2 TYR A 5 79.357 2.928 1.786 1.00 0.78 H new ATOM 0 HB3 TYR A 5 77.953 2.010 2.293 1.00 0.78 H new ATOM 0 HD1 TYR A 5 77.264 1.960 4.683 1.00 1.77 H new ATOM 0 HD2 TYR A 5 80.576 4.350 3.354 1.00 1.31 H new ATOM 0 HE1 TYR A 5 77.200 3.232 6.812 1.00 2.00 H new ATOM 0 HE2 TYR A 5 80.514 5.620 5.485 1.00 1.36 H new ATOM 0 HH TYR A 5 79.522 5.895 7.466 1.00 1.60 H new ATOM 84 N LYS A 6 80.945 0.540 0.661 1.00 1.02 N ATOM 85 CA LYS A 6 81.090 -0.182 -0.636 1.00 1.19 C ATOM 86 C LYS A 6 81.217 -1.688 -0.392 1.00 1.15 C ATOM 87 O LYS A 6 80.800 -2.494 -1.202 1.00 1.19 O ATOM 88 CB LYS A 6 82.374 0.372 -1.256 1.00 1.38 C ATOM 89 CG LYS A 6 82.817 -0.534 -2.407 1.00 1.86 C ATOM 90 CD LYS A 6 83.522 0.303 -3.477 1.00 1.94 C ATOM 91 CE LYS A 6 84.062 -0.619 -4.572 1.00 2.16 C ATOM 92 NZ LYS A 6 84.498 0.296 -5.664 1.00 2.91 N ATOM 0 H LYS A 6 81.680 1.217 0.866 1.00 1.02 H new ATOM 0 HA LYS A 6 80.228 -0.038 -1.288 1.00 1.19 H new ATOM 0 HB2 LYS A 6 82.207 1.385 -1.621 1.00 1.38 H new ATOM 0 HB3 LYS A 6 83.159 0.430 -0.502 1.00 1.38 H new ATOM 0 HG2 LYS A 6 83.488 -1.308 -2.036 1.00 1.86 H new ATOM 0 HG3 LYS A 6 81.953 -1.040 -2.838 1.00 1.86 H new ATOM 0 HD2 LYS A 6 82.827 1.025 -3.905 1.00 1.94 H new ATOM 0 HD3 LYS A 6 84.338 0.871 -3.030 1.00 1.94 H new ATOM 0 HE2 LYS A 6 84.893 -1.222 -4.206 1.00 2.16 H new ATOM 0 HE3 LYS A 6 83.295 -1.311 -4.919 1.00 2.16 H new ATOM 0 HZ1 LYS A 6 84.881 -0.263 -6.453 1.00 2.91 H new ATOM 0 HZ2 LYS A 6 83.684 0.852 -5.997 1.00 2.91 H new ATOM 0 HZ3 LYS A 6 85.233 0.938 -5.306 1.00 2.91 H new ATOM 106 N ALA A 7 81.790 -2.075 0.715 1.00 1.13 N ATOM 107 CA ALA A 7 81.941 -3.530 1.006 1.00 1.14 C ATOM 108 C ALA A 7 80.596 -4.131 1.420 1.00 1.06 C ATOM 109 O ALA A 7 80.352 -5.309 1.245 1.00 1.10 O ATOM 110 CB ALA A 7 82.939 -3.600 2.163 1.00 1.20 C ATOM 0 H ALA A 7 82.160 -1.448 1.430 1.00 1.13 H new ATOM 0 HA ALA A 7 82.283 -4.091 0.137 1.00 1.14 H new ATOM 0 HB1 ALA A 7 83.105 -4.642 2.438 1.00 1.20 H new ATOM 0 HB2 ALA A 7 83.884 -3.151 1.856 1.00 1.20 H new ATOM 0 HB3 ALA A 7 82.541 -3.057 3.020 1.00 1.20 H new ATOM 116 N ALA A 8 79.721 -3.333 1.969 1.00 0.99 N ATOM 117 CA ALA A 8 78.394 -3.863 2.394 1.00 0.95 C ATOM 118 C ALA A 8 77.730 -4.617 1.238 1.00 0.95 C ATOM 119 O ALA A 8 77.133 -5.658 1.425 1.00 1.02 O ATOM 120 CB ALA A 8 77.574 -2.627 2.768 1.00 0.91 C ATOM 0 H ALA A 8 79.867 -2.338 2.141 1.00 0.99 H new ATOM 0 HA ALA A 8 78.477 -4.564 3.225 1.00 0.95 H new ATOM 0 HB1 ALA A 8 76.580 -2.934 3.093 1.00 0.91 H new ATOM 0 HB2 ALA A 8 78.071 -2.092 3.577 1.00 0.91 H new ATOM 0 HB3 ALA A 8 77.486 -1.973 1.901 1.00 0.91 H new ATOM 126 N VAL A 9 77.828 -4.098 0.045 1.00 0.97 N ATOM 127 CA VAL A 9 77.200 -4.787 -1.121 1.00 1.07 C ATOM 128 C VAL A 9 78.133 -5.876 -1.657 1.00 1.16 C ATOM 129 O VAL A 9 77.692 -6.883 -2.176 1.00 1.18 O ATOM 130 CB VAL A 9 77.000 -3.690 -2.167 1.00 1.21 C ATOM 131 CG1 VAL A 9 76.550 -4.321 -3.487 1.00 1.89 C ATOM 132 CG2 VAL A 9 75.930 -2.711 -1.681 1.00 1.49 C ATOM 0 H VAL A 9 78.314 -3.229 -0.174 1.00 0.97 H new ATOM 0 HA VAL A 9 76.262 -5.275 -0.857 1.00 1.07 H new ATOM 0 HB VAL A 9 77.939 -3.157 -2.319 1.00 1.21 H new ATOM 0 HG11 VAL A 9 76.407 -3.540 -4.234 1.00 1.89 H new ATOM 0 HG12 VAL A 9 77.311 -5.020 -3.834 1.00 1.89 H new ATOM 0 HG13 VAL A 9 75.611 -4.853 -3.334 1.00 1.89 H new ATOM 0 HG21 VAL A 9 75.787 -1.929 -2.426 1.00 1.49 H new ATOM 0 HG22 VAL A 9 74.991 -3.244 -1.530 1.00 1.49 H new ATOM 0 HG23 VAL A 9 76.248 -2.262 -0.740 1.00 1.49 H new ATOM 142 N GLU A 10 79.418 -5.683 -1.538 1.00 1.28 N ATOM 143 CA GLU A 10 80.376 -6.707 -2.043 1.00 1.44 C ATOM 144 C GLU A 10 80.153 -8.043 -1.327 1.00 1.41 C ATOM 145 O GLU A 10 80.608 -9.078 -1.770 1.00 1.54 O ATOM 146 CB GLU A 10 81.761 -6.148 -1.717 1.00 1.68 C ATOM 147 CG GLU A 10 82.812 -7.243 -1.907 1.00 2.16 C ATOM 148 CD GLU A 10 82.980 -7.538 -3.398 1.00 2.64 C ATOM 149 OE1 GLU A 10 82.019 -7.979 -4.007 1.00 3.13 O ATOM 150 OE2 GLU A 10 84.067 -7.318 -3.907 1.00 3.13 O ATOM 0 H GLU A 10 79.846 -4.860 -1.113 1.00 1.28 H new ATOM 0 HA GLU A 10 80.253 -6.896 -3.109 1.00 1.44 H new ATOM 0 HB2 GLU A 10 81.984 -5.300 -2.364 1.00 1.68 H new ATOM 0 HB3 GLU A 10 81.784 -5.781 -0.691 1.00 1.68 H new ATOM 0 HG2 GLU A 10 83.763 -6.927 -1.479 1.00 2.16 H new ATOM 0 HG3 GLU A 10 82.510 -8.147 -1.379 1.00 2.16 H new ATOM 157 N GLN A 11 79.457 -8.027 -0.224 1.00 1.37 N ATOM 158 CA GLN A 11 79.206 -9.295 0.518 1.00 1.43 C ATOM 159 C GLN A 11 77.913 -9.950 0.025 1.00 1.24 C ATOM 160 O GLN A 11 77.717 -11.141 0.158 1.00 1.31 O ATOM 161 CB GLN A 11 79.070 -8.879 1.983 1.00 1.58 C ATOM 162 CG GLN A 11 80.429 -8.412 2.511 1.00 1.88 C ATOM 163 CD GLN A 11 80.381 -8.324 4.037 1.00 2.09 C ATOM 164 OE1 GLN A 11 80.424 -9.331 4.717 1.00 2.64 O ATOM 165 NE2 GLN A 11 80.294 -7.154 4.609 1.00 2.48 N ATOM 0 H GLN A 11 79.051 -7.191 0.196 1.00 1.37 H new ATOM 0 HA GLN A 11 80.006 -10.021 0.373 1.00 1.43 H new ATOM 0 HB2 GLN A 11 78.337 -8.078 2.078 1.00 1.58 H new ATOM 0 HB3 GLN A 11 78.706 -9.717 2.577 1.00 1.58 H new ATOM 0 HG2 GLN A 11 81.210 -9.106 2.201 1.00 1.88 H new ATOM 0 HG3 GLN A 11 80.681 -7.440 2.088 1.00 1.88 H new ATOM 0 HE21 GLN A 11 80.258 -6.309 4.039 1.00 2.48 H new ATOM 0 HE22 GLN A 11 80.262 -7.085 5.626 1.00 2.48 H new ATOM 174 N LEU A 12 77.027 -9.179 -0.546 1.00 1.24 N ATOM 175 CA LEU A 12 75.747 -9.757 -1.047 1.00 1.13 C ATOM 176 C LEU A 12 75.996 -10.562 -2.325 1.00 1.02 C ATOM 177 O LEU A 12 76.840 -10.223 -3.130 1.00 1.28 O ATOM 178 CB LEU A 12 74.855 -8.550 -1.338 1.00 1.12 C ATOM 179 CG LEU A 12 74.723 -7.696 -0.075 1.00 1.28 C ATOM 180 CD1 LEU A 12 73.992 -6.395 -0.410 1.00 2.02 C ATOM 181 CD2 LEU A 12 73.929 -8.469 0.980 1.00 1.49 C ATOM 0 H LEU A 12 77.134 -8.175 -0.687 1.00 1.24 H new ATOM 0 HA LEU A 12 75.290 -10.437 -0.328 1.00 1.13 H new ATOM 0 HB2 LEU A 12 75.280 -7.957 -2.148 1.00 1.12 H new ATOM 0 HB3 LEU A 12 73.871 -8.883 -1.669 1.00 1.12 H new ATOM 0 HG LEU A 12 75.715 -7.464 0.312 1.00 1.28 H new ATOM 0 HD11 LEU A 12 73.899 -5.788 0.490 1.00 2.02 H new ATOM 0 HD12 LEU A 12 74.556 -5.844 -1.162 1.00 2.02 H new ATOM 0 HD13 LEU A 12 72.999 -6.625 -0.797 1.00 2.02 H new ATOM 0 HD21 LEU A 12 73.834 -7.862 1.881 1.00 1.49 H new ATOM 0 HD22 LEU A 12 72.937 -8.700 0.592 1.00 1.49 H new ATOM 0 HD23 LEU A 12 74.450 -9.396 1.220 1.00 1.49 H new ATOM 193 N THR A 13 75.265 -11.626 -2.518 1.00 0.93 N ATOM 194 CA THR A 13 75.460 -12.452 -3.743 1.00 0.93 C ATOM 195 C THR A 13 74.190 -12.438 -4.599 1.00 0.88 C ATOM 196 O THR A 13 73.115 -12.130 -4.124 1.00 0.86 O ATOM 197 CB THR A 13 75.743 -13.863 -3.228 1.00 1.03 C ATOM 198 OG1 THR A 13 74.730 -14.240 -2.305 1.00 1.13 O ATOM 199 CG2 THR A 13 77.106 -13.891 -2.534 1.00 1.20 C ATOM 0 H THR A 13 74.542 -11.959 -1.881 1.00 0.93 H new ATOM 0 HA THR A 13 76.269 -12.076 -4.369 1.00 0.93 H new ATOM 0 HB THR A 13 75.751 -14.562 -4.065 1.00 1.03 H new ATOM 0 HG1 THR A 13 74.909 -15.145 -1.975 1.00 1.13 H new ATOM 0 HG21 THR A 13 77.307 -14.898 -2.167 1.00 1.20 H new ATOM 0 HG22 THR A 13 77.881 -13.602 -3.243 1.00 1.20 H new ATOM 0 HG23 THR A 13 77.102 -13.194 -1.696 1.00 1.20 H new ATOM 207 N GLU A 14 74.305 -12.770 -5.856 1.00 0.88 N ATOM 208 CA GLU A 14 73.101 -12.775 -6.736 1.00 0.87 C ATOM 209 C GLU A 14 71.923 -13.430 -6.011 1.00 0.82 C ATOM 210 O GLU A 14 70.835 -12.891 -5.960 1.00 0.79 O ATOM 211 CB GLU A 14 73.506 -13.601 -7.958 1.00 0.99 C ATOM 212 CG GLU A 14 73.293 -12.774 -9.227 1.00 1.98 C ATOM 213 CD GLU A 14 74.504 -12.931 -10.150 1.00 2.36 C ATOM 214 OE1 GLU A 14 75.289 -13.834 -9.913 1.00 3.17 O ATOM 215 OE2 GLU A 14 74.625 -12.146 -11.074 1.00 2.36 O ATOM 0 H GLU A 14 75.178 -13.037 -6.311 1.00 0.88 H new ATOM 0 HA GLU A 14 72.786 -11.769 -7.012 1.00 0.87 H new ATOM 0 HB2 GLU A 14 74.551 -13.900 -7.878 1.00 0.99 H new ATOM 0 HB3 GLU A 14 72.915 -14.516 -8.004 1.00 0.99 H new ATOM 0 HG2 GLU A 14 72.388 -13.101 -9.739 1.00 1.98 H new ATOM 0 HG3 GLU A 14 73.152 -11.724 -8.970 1.00 1.98 H new ATOM 222 N GLU A 15 72.132 -14.588 -5.447 1.00 0.85 N ATOM 223 CA GLU A 15 71.024 -15.275 -4.723 1.00 0.84 C ATOM 224 C GLU A 15 70.375 -14.314 -3.724 1.00 0.76 C ATOM 225 O GLU A 15 69.167 -14.226 -3.628 1.00 0.70 O ATOM 226 CB GLU A 15 71.692 -16.441 -3.993 1.00 0.92 C ATOM 227 CG GLU A 15 70.654 -17.165 -3.133 1.00 1.49 C ATOM 228 CD GLU A 15 69.913 -18.195 -3.987 1.00 1.88 C ATOM 229 OE1 GLU A 15 70.494 -18.663 -4.954 1.00 2.07 O ATOM 230 OE2 GLU A 15 68.778 -18.500 -3.661 1.00 2.62 O ATOM 0 H GLU A 15 73.021 -15.088 -5.456 1.00 0.85 H new ATOM 0 HA GLU A 15 70.236 -15.615 -5.395 1.00 0.84 H new ATOM 0 HB2 GLU A 15 72.130 -17.132 -4.713 1.00 0.92 H new ATOM 0 HB3 GLU A 15 72.506 -16.074 -3.368 1.00 0.92 H new ATOM 0 HG2 GLU A 15 71.142 -17.658 -2.292 1.00 1.49 H new ATOM 0 HG3 GLU A 15 69.948 -16.447 -2.715 1.00 1.49 H new ATOM 237 N GLN A 16 71.168 -13.593 -2.980 1.00 0.79 N ATOM 238 CA GLN A 16 70.602 -12.636 -1.992 1.00 0.74 C ATOM 239 C GLN A 16 70.278 -11.307 -2.689 1.00 0.68 C ATOM 240 O GLN A 16 69.554 -10.482 -2.169 1.00 0.67 O ATOM 241 CB GLN A 16 71.709 -12.480 -0.934 1.00 0.79 C ATOM 242 CG GLN A 16 71.830 -11.022 -0.480 1.00 0.88 C ATOM 243 CD GLN A 16 72.385 -10.971 0.945 1.00 1.70 C ATOM 244 OE1 GLN A 16 71.841 -10.168 1.817 1.00 2.53 O flip ATOM 245 NE2 GLN A 16 73.324 -11.671 1.268 1.00 2.20 N flip ATOM 0 H GLN A 16 72.187 -13.627 -3.015 1.00 0.79 H new ATOM 0 HA GLN A 16 69.670 -12.975 -1.540 1.00 0.74 H new ATOM 0 HB2 GLN A 16 71.489 -13.115 -0.076 1.00 0.79 H new ATOM 0 HB3 GLN A 16 72.661 -12.817 -1.345 1.00 0.79 H new ATOM 0 HG2 GLN A 16 72.486 -10.474 -1.156 1.00 0.88 H new ATOM 0 HG3 GLN A 16 70.855 -10.537 -0.519 1.00 0.88 H new ATOM 0 HE21 GLN A 16 73.750 -12.299 0.587 1.00 2.20 H new ATOM 0 HE22 GLN A 16 73.686 -11.630 2.221 1.00 2.20 H new ATOM 254 N LYS A 17 70.810 -11.098 -3.862 1.00 0.69 N ATOM 255 CA LYS A 17 70.534 -9.828 -4.591 1.00 0.68 C ATOM 256 C LYS A 17 69.213 -9.934 -5.357 1.00 0.62 C ATOM 257 O LYS A 17 68.400 -9.031 -5.338 1.00 0.57 O ATOM 258 CB LYS A 17 71.705 -9.664 -5.560 1.00 0.79 C ATOM 259 CG LYS A 17 71.764 -8.217 -6.052 1.00 1.01 C ATOM 260 CD LYS A 17 72.793 -7.438 -5.231 1.00 1.53 C ATOM 261 CE LYS A 17 74.131 -7.416 -5.974 1.00 1.70 C ATOM 262 NZ LYS A 17 74.724 -6.086 -5.661 1.00 2.33 N ATOM 0 H LYS A 17 71.424 -11.752 -4.347 1.00 0.69 H new ATOM 0 HA LYS A 17 70.442 -8.977 -3.917 1.00 0.68 H new ATOM 0 HB2 LYS A 17 72.639 -9.929 -5.065 1.00 0.79 H new ATOM 0 HB3 LYS A 17 71.588 -10.342 -6.406 1.00 0.79 H new ATOM 0 HG2 LYS A 17 72.032 -8.192 -7.108 1.00 1.01 H new ATOM 0 HG3 LYS A 17 70.783 -7.751 -5.961 1.00 1.01 H new ATOM 0 HD2 LYS A 17 72.443 -6.420 -5.061 1.00 1.53 H new ATOM 0 HD3 LYS A 17 72.917 -7.900 -4.251 1.00 1.53 H new ATOM 0 HE2 LYS A 17 74.780 -8.226 -5.641 1.00 1.70 H new ATOM 0 HE3 LYS A 17 73.989 -7.542 -7.047 1.00 1.70 H new ATOM 0 HZ1 LYS A 17 75.756 -6.179 -5.569 1.00 2.33 H new ATOM 0 HZ2 LYS A 17 74.503 -5.418 -6.427 1.00 2.33 H new ATOM 0 HZ3 LYS A 17 74.327 -5.731 -4.768 1.00 2.33 H new ATOM 276 N ASN A 18 68.991 -11.031 -6.028 1.00 0.65 N ATOM 277 CA ASN A 18 67.720 -11.192 -6.791 1.00 0.64 C ATOM 278 C ASN A 18 66.521 -10.911 -5.881 1.00 0.58 C ATOM 279 O ASN A 18 65.433 -10.629 -6.341 1.00 0.56 O ATOM 280 CB ASN A 18 67.713 -12.649 -7.255 1.00 0.73 C ATOM 281 CG ASN A 18 67.652 -13.575 -6.040 1.00 0.91 C ATOM 282 OD1 ASN A 18 66.887 -13.347 -5.124 1.00 1.55 O ATOM 283 ND2 ASN A 18 68.432 -14.621 -5.992 1.00 1.35 N ATOM 0 H ASN A 18 69.633 -11.822 -6.081 1.00 0.65 H new ATOM 0 HA ASN A 18 67.652 -10.500 -7.631 1.00 0.64 H new ATOM 0 HB2 ASN A 18 66.857 -12.830 -7.906 1.00 0.73 H new ATOM 0 HB3 ASN A 18 68.608 -12.859 -7.840 1.00 0.73 H new ATOM 0 HD21 ASN A 18 68.399 -15.246 -5.186 1.00 1.35 H new ATOM 0 HD22 ASN A 18 69.075 -14.814 -6.760 1.00 1.35 H new ATOM 290 N GLU A 19 66.713 -10.982 -4.592 1.00 0.62 N ATOM 291 CA GLU A 19 65.586 -10.714 -3.655 1.00 0.64 C ATOM 292 C GLU A 19 65.292 -9.213 -3.606 1.00 0.58 C ATOM 293 O GLU A 19 64.158 -8.795 -3.485 1.00 0.61 O ATOM 294 CB GLU A 19 66.074 -11.211 -2.294 1.00 0.75 C ATOM 295 CG GLU A 19 65.222 -12.402 -1.851 1.00 1.47 C ATOM 296 CD GLU A 19 65.440 -12.659 -0.359 1.00 2.01 C ATOM 297 OE1 GLU A 19 64.962 -11.865 0.435 1.00 2.50 O ATOM 298 OE2 GLU A 19 66.080 -13.645 -0.035 1.00 2.64 O ATOM 0 H GLU A 19 67.601 -11.214 -4.148 1.00 0.62 H new ATOM 0 HA GLU A 19 64.665 -11.210 -3.961 1.00 0.64 H new ATOM 0 HB2 GLU A 19 67.122 -11.503 -2.356 1.00 0.75 H new ATOM 0 HB3 GLU A 19 66.009 -10.410 -1.558 1.00 0.75 H new ATOM 0 HG2 GLU A 19 64.169 -12.202 -2.046 1.00 1.47 H new ATOM 0 HG3 GLU A 19 65.490 -13.288 -2.426 1.00 1.47 H new ATOM 305 N PHE A 20 66.308 -8.400 -3.701 1.00 0.58 N ATOM 306 CA PHE A 20 66.091 -6.926 -3.662 1.00 0.59 C ATOM 307 C PHE A 20 65.546 -6.439 -5.007 1.00 0.53 C ATOM 308 O PHE A 20 64.684 -5.584 -5.065 1.00 0.54 O ATOM 309 CB PHE A 20 67.473 -6.329 -3.394 1.00 0.67 C ATOM 310 CG PHE A 20 67.627 -6.057 -1.917 1.00 1.04 C ATOM 311 CD1 PHE A 20 66.607 -5.402 -1.216 1.00 1.85 C ATOM 312 CD2 PHE A 20 68.788 -6.460 -1.248 1.00 1.87 C ATOM 313 CE1 PHE A 20 66.749 -5.151 0.154 1.00 2.52 C ATOM 314 CE2 PHE A 20 68.930 -6.209 0.123 1.00 2.57 C ATOM 315 CZ PHE A 20 67.911 -5.555 0.823 1.00 2.67 C ATOM 0 H PHE A 20 67.280 -8.693 -3.804 1.00 0.58 H new ATOM 0 HA PHE A 20 65.368 -6.633 -2.901 1.00 0.59 H new ATOM 0 HB2 PHE A 20 68.249 -7.016 -3.731 1.00 0.67 H new ATOM 0 HB3 PHE A 20 67.598 -5.406 -3.959 1.00 0.67 H new ATOM 0 HD1 PHE A 20 65.711 -5.090 -1.732 1.00 1.85 H new ATOM 0 HD2 PHE A 20 69.575 -6.965 -1.789 1.00 1.87 H new ATOM 0 HE1 PHE A 20 65.962 -4.646 0.695 1.00 2.52 H new ATOM 0 HE2 PHE A 20 69.826 -6.520 0.639 1.00 2.57 H new ATOM 0 HZ PHE A 20 68.020 -5.361 1.880 1.00 2.67 H new ATOM 325 N LYS A 21 66.037 -6.980 -6.088 1.00 0.53 N ATOM 326 CA LYS A 21 65.543 -6.550 -7.427 1.00 0.53 C ATOM 327 C LYS A 21 64.040 -6.814 -7.541 1.00 0.50 C ATOM 328 O LYS A 21 63.301 -6.027 -8.098 1.00 0.63 O ATOM 329 CB LYS A 21 66.318 -7.405 -8.430 1.00 0.61 C ATOM 330 CG LYS A 21 65.852 -7.074 -9.850 1.00 0.68 C ATOM 331 CD LYS A 21 65.793 -8.357 -10.681 1.00 1.26 C ATOM 332 CE LYS A 21 64.709 -8.224 -11.752 1.00 1.85 C ATOM 333 NZ LYS A 21 65.393 -7.595 -12.914 1.00 1.94 N ATOM 0 H LYS A 21 66.759 -7.701 -6.102 1.00 0.53 H new ATOM 0 HA LYS A 21 65.693 -5.485 -7.602 1.00 0.53 H new ATOM 0 HB2 LYS A 21 67.387 -7.218 -8.334 1.00 0.61 H new ATOM 0 HB3 LYS A 21 66.160 -8.463 -8.221 1.00 0.61 H new ATOM 0 HG2 LYS A 21 64.870 -6.602 -9.821 1.00 0.68 H new ATOM 0 HG3 LYS A 21 66.535 -6.361 -10.311 1.00 0.68 H new ATOM 0 HD2 LYS A 21 66.760 -8.544 -11.149 1.00 1.26 H new ATOM 0 HD3 LYS A 21 65.580 -9.210 -10.037 1.00 1.26 H new ATOM 0 HE2 LYS A 21 64.294 -9.197 -12.017 1.00 1.85 H new ATOM 0 HE3 LYS A 21 63.880 -7.609 -11.401 1.00 1.85 H new ATOM 0 HZ1 LYS A 21 64.713 -7.471 -13.691 1.00 1.94 H new ATOM 0 HZ2 LYS A 21 65.772 -6.668 -12.634 1.00 1.94 H new ATOM 0 HZ3 LYS A 21 66.173 -8.206 -13.230 1.00 1.94 H new ATOM 347 N ALA A 22 63.582 -7.916 -7.013 1.00 0.51 N ATOM 348 CA ALA A 22 62.126 -8.229 -7.087 1.00 0.60 C ATOM 349 C ALA A 22 61.339 -7.283 -6.179 1.00 0.51 C ATOM 350 O ALA A 22 60.124 -7.272 -6.182 1.00 0.50 O ATOM 351 CB ALA A 22 62.005 -9.672 -6.595 1.00 0.76 C ATOM 0 H ALA A 22 64.152 -8.613 -6.534 1.00 0.51 H new ATOM 0 HA ALA A 22 61.727 -8.109 -8.094 1.00 0.60 H new ATOM 0 HB1 ALA A 22 60.959 -9.978 -6.619 1.00 0.76 H new ATOM 0 HB2 ALA A 22 62.590 -10.327 -7.241 1.00 0.76 H new ATOM 0 HB3 ALA A 22 62.379 -9.741 -5.574 1.00 0.76 H new ATOM 357 N ALA A 23 62.022 -6.488 -5.401 1.00 0.51 N ATOM 358 CA ALA A 23 61.313 -5.542 -4.494 1.00 0.47 C ATOM 359 C ALA A 23 61.679 -4.097 -4.845 1.00 0.43 C ATOM 360 O ALA A 23 60.922 -3.179 -4.601 1.00 0.46 O ATOM 361 CB ALA A 23 61.807 -5.896 -3.090 1.00 0.58 C ATOM 0 H ALA A 23 63.040 -6.453 -5.355 1.00 0.51 H new ATOM 0 HA ALA A 23 60.229 -5.623 -4.577 1.00 0.47 H new ATOM 0 HB1 ALA A 23 61.330 -5.241 -2.361 1.00 0.58 H new ATOM 0 HB2 ALA A 23 61.556 -6.933 -2.866 1.00 0.58 H new ATOM 0 HB3 ALA A 23 62.888 -5.766 -3.041 1.00 0.58 H new ATOM 367 N PHE A 24 62.834 -3.889 -5.416 1.00 0.54 N ATOM 368 CA PHE A 24 63.245 -2.505 -5.782 1.00 0.56 C ATOM 369 C PHE A 24 62.604 -2.099 -7.112 1.00 0.56 C ATOM 370 O PHE A 24 62.024 -1.038 -7.233 1.00 0.60 O ATOM 371 CB PHE A 24 64.766 -2.568 -5.915 1.00 0.66 C ATOM 372 CG PHE A 24 65.295 -1.203 -6.280 1.00 0.60 C ATOM 373 CD1 PHE A 24 65.134 -0.717 -7.581 1.00 1.45 C ATOM 374 CD2 PHE A 24 65.946 -0.424 -5.316 1.00 1.24 C ATOM 375 CE1 PHE A 24 65.623 0.551 -7.921 1.00 1.61 C ATOM 376 CE2 PHE A 24 66.436 0.843 -5.655 1.00 1.24 C ATOM 377 CZ PHE A 24 66.274 1.330 -6.958 1.00 0.94 C ATOM 0 H PHE A 24 63.510 -4.618 -5.645 1.00 0.54 H new ATOM 0 HA PHE A 24 62.931 -1.769 -5.041 1.00 0.56 H new ATOM 0 HB2 PHE A 24 65.210 -2.903 -4.978 1.00 0.66 H new ATOM 0 HB3 PHE A 24 65.045 -3.294 -6.678 1.00 0.66 H new ATOM 0 HD1 PHE A 24 64.633 -1.319 -8.324 1.00 1.45 H new ATOM 0 HD2 PHE A 24 66.070 -0.800 -4.311 1.00 1.24 H new ATOM 0 HE1 PHE A 24 65.498 0.927 -8.926 1.00 1.61 H new ATOM 0 HE2 PHE A 24 66.939 1.444 -4.912 1.00 1.24 H new ATOM 0 HZ PHE A 24 66.652 2.307 -7.220 1.00 0.94 H new ATOM 387 N ASP A 25 62.702 -2.935 -8.108 1.00 0.58 N ATOM 388 CA ASP A 25 62.094 -2.597 -9.428 1.00 0.64 C ATOM 389 C ASP A 25 60.583 -2.405 -9.279 1.00 0.66 C ATOM 390 O ASP A 25 59.933 -1.827 -10.128 1.00 0.76 O ATOM 391 CB ASP A 25 62.396 -3.798 -10.324 1.00 0.68 C ATOM 392 CG ASP A 25 63.535 -3.446 -11.283 1.00 1.05 C ATOM 393 OD1 ASP A 25 63.250 -2.886 -12.330 1.00 1.78 O ATOM 394 OD2 ASP A 25 64.672 -3.743 -10.956 1.00 1.58 O ATOM 0 H ASP A 25 63.176 -3.837 -8.066 1.00 0.58 H new ATOM 0 HA ASP A 25 62.493 -1.671 -9.841 1.00 0.64 H new ATOM 0 HB2 ASP A 25 62.672 -4.659 -9.715 1.00 0.68 H new ATOM 0 HB3 ASP A 25 61.506 -4.078 -10.887 1.00 0.68 H new ATOM 399 N ILE A 26 60.019 -2.889 -8.207 1.00 0.61 N ATOM 400 CA ILE A 26 58.551 -2.738 -8.001 1.00 0.67 C ATOM 401 C ILE A 26 58.209 -1.283 -7.669 1.00 0.73 C ATOM 402 O ILE A 26 57.069 -0.869 -7.748 1.00 0.99 O ATOM 403 CB ILE A 26 58.225 -3.649 -6.821 1.00 0.70 C ATOM 404 CG1 ILE A 26 58.478 -5.104 -7.228 1.00 0.66 C ATOM 405 CG2 ILE A 26 56.756 -3.472 -6.430 1.00 0.83 C ATOM 406 CD1 ILE A 26 57.829 -6.043 -6.211 1.00 0.84 C ATOM 0 H ILE A 26 60.512 -3.383 -7.464 1.00 0.61 H new ATOM 0 HA ILE A 26 57.979 -3.001 -8.891 1.00 0.67 H new ATOM 0 HB ILE A 26 58.856 -3.391 -5.970 1.00 0.70 H new ATOM 0 HG12 ILE A 26 58.070 -5.290 -8.222 1.00 0.66 H new ATOM 0 HG13 ILE A 26 59.550 -5.296 -7.282 1.00 0.66 H new ATOM 0 HG21 ILE A 26 56.523 -4.123 -5.587 1.00 0.83 H new ATOM 0 HG22 ILE A 26 56.577 -2.434 -6.148 1.00 0.83 H new ATOM 0 HG23 ILE A 26 56.120 -3.733 -7.276 1.00 0.83 H new ATOM 0 HD11 ILE A 26 58.011 -7.077 -6.503 1.00 0.84 H new ATOM 0 HD12 ILE A 26 58.258 -5.864 -5.225 1.00 0.84 H new ATOM 0 HD13 ILE A 26 56.755 -5.858 -6.179 1.00 0.84 H new ATOM 418 N PHE A 27 59.188 -0.504 -7.297 1.00 0.57 N ATOM 419 CA PHE A 27 58.918 0.923 -6.960 1.00 0.63 C ATOM 420 C PHE A 27 59.822 1.843 -7.785 1.00 0.59 C ATOM 421 O PHE A 27 60.241 2.890 -7.331 1.00 0.67 O ATOM 422 CB PHE A 27 59.239 1.044 -5.470 1.00 0.70 C ATOM 423 CG PHE A 27 58.230 0.251 -4.672 1.00 0.67 C ATOM 424 CD1 PHE A 27 58.426 -1.119 -4.460 1.00 1.44 C ATOM 425 CD2 PHE A 27 57.098 0.886 -4.146 1.00 1.17 C ATOM 426 CE1 PHE A 27 57.490 -1.854 -3.721 1.00 1.65 C ATOM 427 CE2 PHE A 27 56.163 0.151 -3.408 1.00 1.20 C ATOM 428 CZ PHE A 27 56.358 -1.218 -3.195 1.00 1.09 C ATOM 0 H PHE A 27 60.162 -0.794 -7.212 1.00 0.57 H new ATOM 0 HA PHE A 27 57.890 1.213 -7.179 1.00 0.63 H new ATOM 0 HB2 PHE A 27 60.246 0.675 -5.273 1.00 0.70 H new ATOM 0 HB3 PHE A 27 59.218 2.091 -5.166 1.00 0.70 H new ATOM 0 HD1 PHE A 27 59.299 -1.609 -4.866 1.00 1.44 H new ATOM 0 HD2 PHE A 27 56.947 1.943 -4.310 1.00 1.17 H new ATOM 0 HE1 PHE A 27 57.641 -2.911 -3.557 1.00 1.65 H new ATOM 0 HE2 PHE A 27 55.290 0.641 -3.003 1.00 1.20 H new ATOM 0 HZ PHE A 27 55.636 -1.784 -2.625 1.00 1.09 H new ATOM 438 N VAL A 28 60.125 1.460 -8.997 1.00 0.58 N ATOM 439 CA VAL A 28 60.999 2.313 -9.854 1.00 0.59 C ATOM 440 C VAL A 28 60.140 3.153 -10.805 1.00 0.64 C ATOM 441 O VAL A 28 60.612 3.657 -11.806 1.00 0.73 O ATOM 442 CB VAL A 28 61.873 1.323 -10.634 1.00 0.60 C ATOM 443 CG1 VAL A 28 62.601 2.051 -11.764 1.00 1.41 C ATOM 444 CG2 VAL A 28 62.902 0.702 -9.687 1.00 1.37 C ATOM 0 H VAL A 28 59.805 0.594 -9.430 1.00 0.58 H new ATOM 0 HA VAL A 28 61.602 3.012 -9.274 1.00 0.59 H new ATOM 0 HB VAL A 28 61.241 0.542 -11.058 1.00 0.60 H new ATOM 0 HG11 VAL A 28 63.220 1.342 -12.314 1.00 1.41 H new ATOM 0 HG12 VAL A 28 61.871 2.496 -12.440 1.00 1.41 H new ATOM 0 HG13 VAL A 28 63.232 2.835 -11.345 1.00 1.41 H new ATOM 0 HG21 VAL A 28 63.525 -0.002 -10.238 1.00 1.37 H new ATOM 0 HG22 VAL A 28 63.529 1.488 -9.265 1.00 1.37 H new ATOM 0 HG23 VAL A 28 62.386 0.178 -8.882 1.00 1.37 H new ATOM 454 N LEU A 29 58.880 3.309 -10.497 1.00 0.75 N ATOM 455 CA LEU A 29 57.984 4.117 -11.377 1.00 0.91 C ATOM 456 C LEU A 29 58.716 5.362 -11.885 1.00 1.10 C ATOM 457 O LEU A 29 58.771 6.378 -11.219 1.00 1.54 O ATOM 458 CB LEU A 29 56.810 4.516 -10.484 1.00 1.17 C ATOM 459 CG LEU A 29 57.339 5.208 -9.227 1.00 1.49 C ATOM 460 CD1 LEU A 29 57.068 6.711 -9.319 1.00 2.09 C ATOM 461 CD2 LEU A 29 56.631 4.638 -7.995 1.00 1.73 C ATOM 0 H LEU A 29 58.431 2.911 -9.672 1.00 0.75 H new ATOM 0 HA LEU A 29 57.660 3.560 -12.256 1.00 0.91 H new ATOM 0 HB2 LEU A 29 56.138 5.183 -11.024 1.00 1.17 H new ATOM 0 HB3 LEU A 29 56.231 3.634 -10.210 1.00 1.17 H new ATOM 0 HG LEU A 29 58.412 5.036 -9.143 1.00 1.49 H new ATOM 0 HD11 LEU A 29 57.445 7.204 -8.423 1.00 2.09 H new ATOM 0 HD12 LEU A 29 57.571 7.118 -10.196 1.00 2.09 H new ATOM 0 HD13 LEU A 29 55.995 6.883 -9.403 1.00 2.09 H new ATOM 0 HD21 LEU A 29 57.007 5.131 -7.099 1.00 1.73 H new ATOM 0 HD22 LEU A 29 55.558 4.810 -8.080 1.00 1.73 H new ATOM 0 HD23 LEU A 29 56.823 3.567 -7.928 1.00 1.73 H new ATOM 473 N GLY A 30 59.282 5.291 -13.057 1.00 1.47 N ATOM 474 CA GLY A 30 60.013 6.468 -13.606 1.00 1.89 C ATOM 475 C GLY A 30 61.300 6.684 -12.807 1.00 1.94 C ATOM 476 O GLY A 30 62.188 5.854 -12.807 1.00 2.46 O ATOM 0 H GLY A 30 59.270 4.468 -13.660 1.00 1.47 H new ATOM 0 HA2 GLY A 30 60.248 6.306 -14.658 1.00 1.89 H new ATOM 0 HA3 GLY A 30 59.385 7.357 -13.553 1.00 1.89 H new ATOM 480 N ALA A 31 61.407 7.790 -12.124 1.00 1.89 N ATOM 481 CA ALA A 31 62.637 8.054 -11.323 1.00 2.14 C ATOM 482 C ALA A 31 63.888 7.741 -12.149 1.00 2.28 C ATOM 483 O ALA A 31 64.553 6.750 -11.928 1.00 2.46 O ATOM 484 CB ALA A 31 62.536 7.110 -10.124 1.00 1.97 C ATOM 0 H ALA A 31 60.698 8.522 -12.085 1.00 1.89 H new ATOM 0 HA ALA A 31 62.714 9.097 -11.017 1.00 2.14 H new ATOM 0 HB1 ALA A 31 63.407 7.243 -9.482 1.00 1.97 H new ATOM 0 HB2 ALA A 31 61.631 7.335 -9.559 1.00 1.97 H new ATOM 0 HB3 ALA A 31 62.498 6.079 -10.475 1.00 1.97 H new ATOM 490 N GLU A 32 64.206 8.583 -13.098 1.00 2.73 N ATOM 491 CA GLU A 32 65.410 8.352 -13.951 1.00 2.98 C ATOM 492 C GLU A 32 65.297 7.013 -14.684 1.00 2.33 C ATOM 493 O GLU A 32 65.038 6.965 -15.870 1.00 2.34 O ATOM 494 CB GLU A 32 66.595 8.342 -12.983 1.00 3.71 C ATOM 495 CG GLU A 32 67.026 9.779 -12.688 1.00 4.48 C ATOM 496 CD GLU A 32 68.196 10.160 -13.598 1.00 5.14 C ATOM 497 OE1 GLU A 32 69.193 9.457 -13.574 1.00 5.71 O ATOM 498 OE2 GLU A 32 68.075 11.149 -14.303 1.00 5.38 O ATOM 0 H GLU A 32 63.679 9.427 -13.320 1.00 2.73 H new ATOM 0 HA GLU A 32 65.521 9.120 -14.717 1.00 2.98 H new ATOM 0 HB2 GLU A 32 66.318 7.837 -12.058 1.00 3.71 H new ATOM 0 HB3 GLU A 32 67.426 7.783 -13.414 1.00 3.71 H new ATOM 0 HG2 GLU A 32 66.190 10.460 -12.848 1.00 4.48 H new ATOM 0 HG3 GLU A 32 67.319 9.874 -11.642 1.00 4.48 H new ATOM 505 N ASP A 33 65.487 5.930 -13.986 1.00 2.13 N ATOM 506 CA ASP A 33 65.391 4.587 -14.637 1.00 2.25 C ATOM 507 C ASP A 33 65.904 3.499 -13.688 1.00 1.67 C ATOM 508 O ASP A 33 66.725 2.681 -14.054 1.00 2.00 O ATOM 509 CB ASP A 33 66.280 4.670 -15.882 1.00 3.20 C ATOM 510 CG ASP A 33 67.562 5.441 -15.556 1.00 3.87 C ATOM 511 OD1 ASP A 33 68.383 4.907 -14.829 1.00 4.49 O ATOM 512 OD2 ASP A 33 67.700 6.553 -16.040 1.00 4.16 O ATOM 0 H ASP A 33 65.705 5.913 -12.990 1.00 2.13 H new ATOM 0 HA ASP A 33 64.362 4.333 -14.891 1.00 2.25 H new ATOM 0 HB2 ASP A 33 66.527 3.667 -16.231 1.00 3.20 H new ATOM 0 HB3 ASP A 33 65.743 5.165 -16.691 1.00 3.20 H new ATOM 517 N GLY A 34 65.427 3.482 -12.473 1.00 1.10 N ATOM 518 CA GLY A 34 65.889 2.444 -11.506 1.00 1.18 C ATOM 519 C GLY A 34 66.081 3.077 -10.128 1.00 0.92 C ATOM 520 O GLY A 34 67.074 2.852 -9.462 1.00 1.03 O ATOM 0 H GLY A 34 64.739 4.140 -12.108 1.00 1.10 H new ATOM 0 HA2 GLY A 34 65.160 1.636 -11.448 1.00 1.18 H new ATOM 0 HA3 GLY A 34 66.825 2.004 -11.849 1.00 1.18 H new ATOM 524 N CYS A 35 65.138 3.865 -9.691 1.00 0.78 N ATOM 525 CA CYS A 35 65.264 4.512 -8.353 1.00 0.68 C ATOM 526 C CYS A 35 63.893 4.583 -7.678 1.00 0.69 C ATOM 527 O CYS A 35 62.889 4.829 -8.317 1.00 0.89 O ATOM 528 CB CYS A 35 65.794 5.917 -8.640 1.00 0.78 C ATOM 529 SG CYS A 35 67.251 5.806 -9.708 1.00 1.27 S ATOM 0 H CYS A 35 64.285 4.090 -10.202 1.00 0.78 H new ATOM 0 HA CYS A 35 65.923 3.959 -7.684 1.00 0.68 H new ATOM 0 HB2 CYS A 35 65.022 6.517 -9.121 1.00 0.78 H new ATOM 0 HB3 CYS A 35 66.051 6.418 -7.707 1.00 0.78 H new ATOM 0 HG CYS A 35 67.727 4.597 -9.668 1.00 1.27 H new ATOM 535 N ILE A 36 63.836 4.369 -6.391 1.00 0.57 N ATOM 536 CA ILE A 36 62.522 4.425 -5.690 1.00 0.57 C ATOM 537 C ILE A 36 62.395 5.733 -4.906 1.00 0.50 C ATOM 538 O ILE A 36 63.369 6.413 -4.650 1.00 0.60 O ATOM 539 CB ILE A 36 62.522 3.227 -4.743 1.00 0.63 C ATOM 540 CG1 ILE A 36 63.615 3.409 -3.688 1.00 0.60 C ATOM 541 CG2 ILE A 36 62.793 1.950 -5.540 1.00 0.72 C ATOM 542 CD1 ILE A 36 63.468 2.334 -2.610 1.00 0.75 C ATOM 0 H ILE A 36 64.639 4.159 -5.798 1.00 0.57 H new ATOM 0 HA ILE A 36 61.683 4.391 -6.385 1.00 0.57 H new ATOM 0 HB ILE A 36 61.552 3.152 -4.252 1.00 0.63 H new ATOM 0 HG12 ILE A 36 64.599 3.341 -4.153 1.00 0.60 H new ATOM 0 HG13 ILE A 36 63.542 4.400 -3.240 1.00 0.60 H new ATOM 0 HG21 ILE A 36 62.793 1.094 -4.866 1.00 0.72 H new ATOM 0 HG22 ILE A 36 62.016 1.819 -6.293 1.00 0.72 H new ATOM 0 HG23 ILE A 36 63.763 2.026 -6.030 1.00 0.72 H new ATOM 0 HD11 ILE A 36 64.247 2.464 -1.858 1.00 0.75 H new ATOM 0 HD12 ILE A 36 62.490 2.423 -2.138 1.00 0.75 H new ATOM 0 HD13 ILE A 36 63.563 1.348 -3.064 1.00 0.75 H new ATOM 554 N SER A 37 61.199 6.090 -4.525 1.00 0.54 N ATOM 555 CA SER A 37 61.008 7.355 -3.759 1.00 0.50 C ATOM 556 C SER A 37 61.329 7.132 -2.279 1.00 0.48 C ATOM 557 O SER A 37 60.987 6.117 -1.705 1.00 0.60 O ATOM 558 CB SER A 37 59.534 7.710 -3.942 1.00 0.55 C ATOM 559 OG SER A 37 59.408 9.112 -4.132 1.00 1.02 O ATOM 0 H SER A 37 60.347 5.561 -4.711 1.00 0.54 H new ATOM 0 HA SER A 37 61.665 8.152 -4.108 1.00 0.50 H new ATOM 0 HB2 SER A 37 59.124 7.177 -4.800 1.00 0.55 H new ATOM 0 HB3 SER A 37 58.962 7.397 -3.069 1.00 0.55 H new ATOM 0 HG SER A 37 58.463 9.342 -4.251 1.00 1.02 H new ATOM 565 N THR A 38 61.984 8.073 -1.657 1.00 0.48 N ATOM 566 CA THR A 38 62.328 7.915 -0.215 1.00 0.53 C ATOM 567 C THR A 38 61.093 7.480 0.580 1.00 0.53 C ATOM 568 O THR A 38 61.181 6.688 1.496 1.00 0.59 O ATOM 569 CB THR A 38 62.795 9.301 0.235 1.00 0.64 C ATOM 570 OG1 THR A 38 62.099 10.295 -0.504 1.00 0.62 O ATOM 571 CG2 THR A 38 64.298 9.440 -0.007 1.00 0.85 C ATOM 0 H THR A 38 62.296 8.945 -2.085 1.00 0.48 H new ATOM 0 HA THR A 38 63.092 7.155 -0.054 1.00 0.53 H new ATOM 0 HB THR A 38 62.589 9.427 1.298 1.00 0.64 H new ATOM 0 HG1 THR A 38 62.594 10.498 -1.325 1.00 0.62 H new ATOM 0 HG21 THR A 38 64.628 10.428 0.314 1.00 0.85 H new ATOM 0 HG22 THR A 38 64.830 8.677 0.561 1.00 0.85 H new ATOM 0 HG23 THR A 38 64.509 9.315 -1.069 1.00 0.85 H new ATOM 579 N LYS A 39 59.943 7.992 0.235 1.00 0.60 N ATOM 580 CA LYS A 39 58.707 7.605 0.973 1.00 0.73 C ATOM 581 C LYS A 39 58.256 6.205 0.549 1.00 0.66 C ATOM 582 O LYS A 39 57.483 5.559 1.229 1.00 0.87 O ATOM 583 CB LYS A 39 57.664 8.650 0.573 1.00 0.90 C ATOM 584 CG LYS A 39 57.208 8.395 -0.865 1.00 1.78 C ATOM 585 CD LYS A 39 56.401 9.593 -1.367 1.00 2.12 C ATOM 586 CE LYS A 39 55.013 9.583 -0.721 1.00 2.70 C ATOM 587 NZ LYS A 39 54.100 10.131 -1.763 1.00 2.96 N ATOM 0 H LYS A 39 59.806 8.660 -0.524 1.00 0.60 H new ATOM 0 HA LYS A 39 58.861 7.576 2.052 1.00 0.73 H new ATOM 0 HB2 LYS A 39 56.811 8.604 1.249 1.00 0.90 H new ATOM 0 HB3 LYS A 39 58.086 9.651 0.659 1.00 0.90 H new ATOM 0 HG2 LYS A 39 58.073 8.231 -1.508 1.00 1.78 H new ATOM 0 HG3 LYS A 39 56.601 7.490 -0.910 1.00 1.78 H new ATOM 0 HD2 LYS A 39 56.919 10.521 -1.125 1.00 2.12 H new ATOM 0 HD3 LYS A 39 56.309 9.553 -2.452 1.00 2.12 H new ATOM 0 HE2 LYS A 39 54.720 8.574 -0.430 1.00 2.70 H new ATOM 0 HE3 LYS A 39 54.993 10.193 0.182 1.00 2.70 H new ATOM 0 HZ1 LYS A 39 53.128 10.156 -1.394 1.00 2.96 H new ATOM 0 HZ2 LYS A 39 54.399 11.095 -2.015 1.00 2.96 H new ATOM 0 HZ3 LYS A 39 54.135 9.526 -2.608 1.00 2.96 H new ATOM 601 N GLU A 40 58.735 5.730 -0.568 1.00 0.52 N ATOM 602 CA GLU A 40 58.335 4.370 -1.032 1.00 0.56 C ATOM 603 C GLU A 40 59.221 3.307 -0.379 1.00 0.52 C ATOM 604 O GLU A 40 58.764 2.241 -0.015 1.00 0.59 O ATOM 605 CB GLU A 40 58.546 4.390 -2.546 1.00 0.71 C ATOM 606 CG GLU A 40 57.653 5.463 -3.172 1.00 1.06 C ATOM 607 CD GLU A 40 56.276 4.869 -3.474 1.00 1.41 C ATOM 608 OE1 GLU A 40 55.812 4.066 -2.682 1.00 2.23 O ATOM 609 OE2 GLU A 40 55.709 5.227 -4.493 1.00 1.60 O ATOM 0 H GLU A 40 59.385 6.224 -1.179 1.00 0.52 H new ATOM 0 HA GLU A 40 57.305 4.129 -0.768 1.00 0.56 H new ATOM 0 HB2 GLU A 40 59.592 4.593 -2.775 1.00 0.71 H new ATOM 0 HB3 GLU A 40 58.311 3.414 -2.970 1.00 0.71 H new ATOM 0 HG2 GLU A 40 57.554 6.310 -2.493 1.00 1.06 H new ATOM 0 HG3 GLU A 40 58.107 5.840 -4.088 1.00 1.06 H new ATOM 616 N LEU A 41 60.487 3.588 -0.225 1.00 0.51 N ATOM 617 CA LEU A 41 61.400 2.592 0.407 1.00 0.54 C ATOM 618 C LEU A 41 60.740 1.987 1.649 1.00 0.56 C ATOM 619 O LEU A 41 60.820 0.798 1.889 1.00 0.70 O ATOM 620 CB LEU A 41 62.646 3.389 0.795 1.00 0.62 C ATOM 621 CG LEU A 41 63.655 2.461 1.474 1.00 0.64 C ATOM 622 CD1 LEU A 41 65.075 2.892 1.102 1.00 1.18 C ATOM 623 CD2 LEU A 41 63.482 2.544 2.992 1.00 1.40 C ATOM 0 H LEU A 41 60.928 4.463 -0.509 1.00 0.51 H new ATOM 0 HA LEU A 41 61.638 1.765 -0.261 1.00 0.54 H new ATOM 0 HB2 LEU A 41 63.091 3.842 -0.091 1.00 0.62 H new ATOM 0 HB3 LEU A 41 62.375 4.203 1.467 1.00 0.62 H new ATOM 0 HG LEU A 41 63.486 1.437 1.142 1.00 0.64 H new ATOM 0 HD11 LEU A 41 65.794 2.231 1.586 1.00 1.18 H new ATOM 0 HD12 LEU A 41 65.201 2.836 0.021 1.00 1.18 H new ATOM 0 HD13 LEU A 41 65.243 3.916 1.434 1.00 1.18 H new ATOM 0 HD21 LEU A 41 64.201 1.883 3.477 1.00 1.40 H new ATOM 0 HD22 LEU A 41 63.652 3.569 3.322 1.00 1.40 H new ATOM 0 HD23 LEU A 41 62.470 2.239 3.260 1.00 1.40 H new ATOM 635 N GLY A 42 60.087 2.796 2.438 1.00 0.57 N ATOM 636 CA GLY A 42 59.422 2.265 3.662 1.00 0.60 C ATOM 637 C GLY A 42 58.644 0.996 3.310 1.00 0.55 C ATOM 638 O GLY A 42 58.952 -0.082 3.778 1.00 0.57 O ATOM 0 H GLY A 42 59.985 3.800 2.289 1.00 0.57 H new ATOM 0 HA2 GLY A 42 60.166 2.047 4.428 1.00 0.60 H new ATOM 0 HA3 GLY A 42 58.748 3.014 4.077 1.00 0.60 H new ATOM 642 N LYS A 43 57.639 1.115 2.485 1.00 0.57 N ATOM 643 CA LYS A 43 56.846 -0.087 2.101 1.00 0.58 C ATOM 644 C LYS A 43 57.770 -1.171 1.540 1.00 0.56 C ATOM 645 O LYS A 43 57.544 -2.351 1.723 1.00 0.60 O ATOM 646 CB LYS A 43 55.879 0.405 1.024 1.00 0.65 C ATOM 647 CG LYS A 43 54.954 1.469 1.616 1.00 0.99 C ATOM 648 CD LYS A 43 53.977 0.810 2.592 1.00 1.28 C ATOM 649 CE LYS A 43 52.542 1.157 2.191 1.00 1.53 C ATOM 650 NZ LYS A 43 52.428 2.626 2.405 1.00 1.86 N ATOM 0 H LYS A 43 57.334 1.991 2.061 1.00 0.57 H new ATOM 0 HA LYS A 43 56.321 -0.526 2.950 1.00 0.58 H new ATOM 0 HB2 LYS A 43 56.435 0.819 0.183 1.00 0.65 H new ATOM 0 HB3 LYS A 43 55.292 -0.429 0.639 1.00 0.65 H new ATOM 0 HG2 LYS A 43 55.540 2.230 2.130 1.00 0.99 H new ATOM 0 HG3 LYS A 43 54.405 1.973 0.820 1.00 0.99 H new ATOM 0 HD2 LYS A 43 54.116 -0.271 2.587 1.00 1.28 H new ATOM 0 HD3 LYS A 43 54.175 1.152 3.608 1.00 1.28 H new ATOM 0 HE2 LYS A 43 52.348 0.893 1.151 1.00 1.53 H new ATOM 0 HE3 LYS A 43 51.819 0.612 2.799 1.00 1.53 H new ATOM 0 HZ1 LYS A 43 51.440 2.870 2.620 1.00 1.86 H new ATOM 0 HZ2 LYS A 43 53.035 2.909 3.201 1.00 1.86 H new ATOM 0 HZ3 LYS A 43 52.729 3.127 1.545 1.00 1.86 H new ATOM 664 N VAL A 44 58.812 -0.779 0.859 1.00 0.54 N ATOM 665 CA VAL A 44 59.752 -1.783 0.287 1.00 0.56 C ATOM 666 C VAL A 44 60.542 -2.462 1.411 1.00 0.59 C ATOM 667 O VAL A 44 60.813 -3.645 1.364 1.00 0.57 O ATOM 668 CB VAL A 44 60.684 -0.976 -0.617 1.00 0.59 C ATOM 669 CG1 VAL A 44 61.940 -1.793 -0.923 1.00 1.36 C ATOM 670 CG2 VAL A 44 59.963 -0.645 -1.926 1.00 1.36 C ATOM 0 H VAL A 44 59.053 0.195 0.674 1.00 0.54 H new ATOM 0 HA VAL A 44 59.238 -2.573 -0.261 1.00 0.56 H new ATOM 0 HB VAL A 44 60.967 -0.053 -0.111 1.00 0.59 H new ATOM 0 HG11 VAL A 44 62.602 -1.215 -1.568 1.00 1.36 H new ATOM 0 HG12 VAL A 44 62.456 -2.030 0.008 1.00 1.36 H new ATOM 0 HG13 VAL A 44 61.659 -2.717 -1.428 1.00 1.36 H new ATOM 0 HG21 VAL A 44 60.627 -0.070 -2.571 1.00 1.36 H new ATOM 0 HG22 VAL A 44 59.679 -1.569 -2.429 1.00 1.36 H new ATOM 0 HG23 VAL A 44 59.069 -0.060 -1.711 1.00 1.36 H new ATOM 680 N MET A 45 60.911 -1.722 2.421 1.00 0.74 N ATOM 681 CA MET A 45 61.681 -2.327 3.546 1.00 0.84 C ATOM 682 C MET A 45 60.834 -3.389 4.250 1.00 0.86 C ATOM 683 O MET A 45 61.341 -4.379 4.740 1.00 0.89 O ATOM 684 CB MET A 45 61.978 -1.164 4.493 1.00 0.96 C ATOM 685 CG MET A 45 63.221 -0.416 4.007 1.00 1.12 C ATOM 686 SD MET A 45 64.699 -1.390 4.385 1.00 1.48 S ATOM 687 CE MET A 45 65.359 -0.310 5.677 1.00 0.73 C ATOM 0 H MET A 45 60.713 -0.726 2.516 1.00 0.74 H new ATOM 0 HA MET A 45 62.593 -2.819 3.207 1.00 0.84 H new ATOM 0 HB2 MET A 45 61.125 -0.486 4.533 1.00 0.96 H new ATOM 0 HB3 MET A 45 62.137 -1.536 5.505 1.00 0.96 H new ATOM 0 HG2 MET A 45 63.155 -0.238 2.934 1.00 1.12 H new ATOM 0 HG3 MET A 45 63.283 0.560 4.489 1.00 1.12 H new ATOM 0 HE1 MET A 45 66.447 -0.298 5.620 1.00 0.73 H new ATOM 0 HE2 MET A 45 64.977 0.701 5.536 1.00 0.73 H new ATOM 0 HE3 MET A 45 65.051 -0.682 6.654 1.00 0.73 H new ATOM 697 N ARG A 46 59.545 -3.192 4.303 1.00 0.94 N ATOM 698 CA ARG A 46 58.664 -4.191 4.974 1.00 1.04 C ATOM 699 C ARG A 46 58.522 -5.439 4.099 1.00 1.00 C ATOM 700 O ARG A 46 58.363 -6.539 4.590 1.00 1.04 O ATOM 701 CB ARG A 46 57.315 -3.488 5.129 1.00 1.21 C ATOM 702 CG ARG A 46 57.535 -2.065 5.647 1.00 1.04 C ATOM 703 CD ARG A 46 56.502 -1.751 6.732 1.00 1.77 C ATOM 704 NE ARG A 46 56.797 -0.353 7.150 1.00 2.29 N ATOM 705 CZ ARG A 46 55.966 0.282 7.932 1.00 2.76 C ATOM 706 NH1 ARG A 46 56.105 0.211 9.227 1.00 3.45 N ATOM 707 NH2 ARG A 46 54.997 0.988 7.417 1.00 3.10 N ATOM 0 H ARG A 46 59.063 -2.383 3.911 1.00 0.94 H new ATOM 0 HA ARG A 46 59.065 -4.519 5.933 1.00 1.04 H new ATOM 0 HB2 ARG A 46 56.795 -3.461 4.171 1.00 1.21 H new ATOM 0 HB3 ARG A 46 56.681 -4.044 5.820 1.00 1.21 H new ATOM 0 HG2 ARG A 46 58.543 -1.965 6.050 1.00 1.04 H new ATOM 0 HG3 ARG A 46 57.447 -1.351 4.828 1.00 1.04 H new ATOM 0 HD2 ARG A 46 55.486 -1.842 6.348 1.00 1.77 H new ATOM 0 HD3 ARG A 46 56.589 -2.441 7.571 1.00 1.77 H new ATOM 0 HE ARG A 46 57.647 0.108 6.826 1.00 2.29 H new ATOM 0 HH11 ARG A 46 56.863 -0.341 9.629 1.00 3.45 H new ATOM 0 HH12 ARG A 46 55.456 0.707 9.838 1.00 3.45 H new ATOM 0 HH21 ARG A 46 54.889 1.044 6.404 1.00 3.10 H new ATOM 0 HH22 ARG A 46 54.348 1.484 8.027 1.00 3.10 H new ATOM 721 N MET A 47 58.579 -5.276 2.806 1.00 0.98 N ATOM 722 CA MET A 47 58.447 -6.453 1.898 1.00 1.04 C ATOM 723 C MET A 47 59.693 -7.336 1.987 1.00 0.99 C ATOM 724 O MET A 47 59.756 -8.399 1.401 1.00 1.07 O ATOM 725 CB MET A 47 58.312 -5.857 0.496 1.00 1.19 C ATOM 726 CG MET A 47 56.836 -5.594 0.191 1.00 1.37 C ATOM 727 SD MET A 47 56.689 -4.125 -0.854 1.00 1.89 S ATOM 728 CE MET A 47 56.452 -4.987 -2.428 1.00 1.30 C ATOM 0 H MET A 47 58.711 -4.379 2.338 1.00 0.98 H new ATOM 0 HA MET A 47 57.596 -7.081 2.159 1.00 1.04 H new ATOM 0 HB2 MET A 47 58.879 -4.929 0.428 1.00 1.19 H new ATOM 0 HB3 MET A 47 58.730 -6.541 -0.243 1.00 1.19 H new ATOM 0 HG2 MET A 47 56.398 -6.456 -0.312 1.00 1.37 H new ATOM 0 HG3 MET A 47 56.282 -5.451 1.119 1.00 1.37 H new ATOM 0 HE1 MET A 47 56.060 -4.290 -3.169 1.00 1.30 H new ATOM 0 HE2 MET A 47 57.407 -5.384 -2.773 1.00 1.30 H new ATOM 0 HE3 MET A 47 55.746 -5.807 -2.291 1.00 1.30 H new ATOM 738 N LEU A 48 60.687 -6.907 2.717 1.00 0.93 N ATOM 739 CA LEU A 48 61.928 -7.725 2.842 1.00 0.98 C ATOM 740 C LEU A 48 62.133 -8.158 4.295 1.00 1.32 C ATOM 741 O LEU A 48 62.969 -8.988 4.593 1.00 1.80 O ATOM 742 CB LEU A 48 63.060 -6.801 2.392 1.00 1.21 C ATOM 743 CG LEU A 48 62.922 -6.511 0.897 1.00 1.28 C ATOM 744 CD1 LEU A 48 63.560 -5.158 0.576 1.00 2.11 C ATOM 745 CD2 LEU A 48 63.628 -7.609 0.099 1.00 1.86 C ATOM 0 H LEU A 48 60.694 -6.026 3.232 1.00 0.93 H new ATOM 0 HA LEU A 48 61.884 -8.635 2.244 1.00 0.98 H new ATOM 0 HB2 LEU A 48 63.029 -5.870 2.958 1.00 1.21 H new ATOM 0 HB3 LEU A 48 64.025 -7.266 2.595 1.00 1.21 H new ATOM 0 HG LEU A 48 61.866 -6.486 0.628 1.00 1.28 H new ATOM 0 HD11 LEU A 48 63.461 -4.953 -0.490 1.00 2.11 H new ATOM 0 HD12 LEU A 48 63.058 -4.375 1.145 1.00 2.11 H new ATOM 0 HD13 LEU A 48 64.616 -5.181 0.844 1.00 2.11 H new ATOM 0 HD21 LEU A 48 63.531 -7.404 -0.967 1.00 1.86 H new ATOM 0 HD22 LEU A 48 64.684 -7.633 0.369 1.00 1.86 H new ATOM 0 HD23 LEU A 48 63.173 -8.573 0.326 1.00 1.86 H new ATOM 757 N GLY A 49 61.376 -7.602 5.203 1.00 1.36 N ATOM 758 CA GLY A 49 61.529 -7.984 6.635 1.00 1.95 C ATOM 759 C GLY A 49 62.312 -6.897 7.374 1.00 1.43 C ATOM 760 O GLY A 49 63.399 -7.125 7.865 1.00 1.92 O ATOM 0 H GLY A 49 60.660 -6.901 5.014 1.00 1.36 H new ATOM 0 HA2 GLY A 49 60.549 -8.116 7.094 1.00 1.95 H new ATOM 0 HA3 GLY A 49 62.049 -8.939 6.714 1.00 1.95 H new ATOM 764 N GLN A 50 61.767 -5.714 7.457 1.00 1.21 N ATOM 765 CA GLN A 50 62.480 -4.612 8.165 1.00 1.01 C ATOM 766 C GLN A 50 61.484 -3.536 8.603 1.00 1.02 C ATOM 767 O GLN A 50 60.686 -3.059 7.820 1.00 1.23 O ATOM 768 CB GLN A 50 63.459 -4.048 7.134 1.00 1.43 C ATOM 769 CG GLN A 50 64.863 -4.587 7.418 1.00 1.58 C ATOM 770 CD GLN A 50 65.315 -4.128 8.806 1.00 2.45 C ATOM 771 OE1 GLN A 50 65.125 -2.985 9.172 1.00 3.08 O ATOM 772 NE2 GLN A 50 65.909 -4.976 9.598 1.00 3.14 N ATOM 0 H GLN A 50 60.859 -5.463 7.065 1.00 1.21 H new ATOM 0 HA GLN A 50 62.990 -4.959 9.064 1.00 1.01 H new ATOM 0 HB2 GLN A 50 63.146 -4.328 6.128 1.00 1.43 H new ATOM 0 HB3 GLN A 50 63.460 -2.959 7.175 1.00 1.43 H new ATOM 0 HG2 GLN A 50 64.864 -5.676 7.365 1.00 1.58 H new ATOM 0 HG3 GLN A 50 65.561 -4.231 6.660 1.00 1.58 H new ATOM 0 HE21 GLN A 50 66.068 -5.935 9.291 1.00 3.14 H new ATOM 0 HE22 GLN A 50 66.214 -4.680 10.525 1.00 3.14 H new ATOM 781 N ASN A 51 61.522 -3.150 9.849 1.00 0.98 N ATOM 782 CA ASN A 51 60.576 -2.105 10.334 1.00 1.08 C ATOM 783 C ASN A 51 61.346 -0.874 10.820 1.00 0.93 C ATOM 784 O ASN A 51 61.400 -0.601 12.002 1.00 1.15 O ATOM 785 CB ASN A 51 59.825 -2.760 11.494 1.00 1.52 C ATOM 786 CG ASN A 51 58.587 -3.483 10.960 1.00 1.82 C ATOM 787 OD1 ASN A 51 58.528 -4.697 10.965 1.00 2.25 O ATOM 788 ND2 ASN A 51 57.588 -2.783 10.494 1.00 2.47 N ATOM 0 H ASN A 51 62.166 -3.513 10.552 1.00 0.98 H new ATOM 0 HA ASN A 51 59.900 -1.765 9.549 1.00 1.08 H new ATOM 0 HB2 ASN A 51 60.476 -3.465 12.010 1.00 1.52 H new ATOM 0 HB3 ASN A 51 59.531 -2.005 12.223 1.00 1.52 H new ATOM 0 HD21 ASN A 51 56.758 -3.255 10.134 1.00 2.47 H new ATOM 0 HD22 ASN A 51 57.637 -1.764 10.490 1.00 2.47 H new ATOM 795 N PRO A 52 61.917 -0.170 9.880 1.00 0.72 N ATOM 796 CA PRO A 52 62.695 1.049 10.207 1.00 0.80 C ATOM 797 C PRO A 52 61.751 2.195 10.584 1.00 0.80 C ATOM 798 O PRO A 52 60.644 2.286 10.092 1.00 0.80 O ATOM 799 CB PRO A 52 63.436 1.359 8.910 1.00 0.85 C ATOM 800 CG PRO A 52 62.609 0.736 7.831 1.00 0.79 C ATOM 801 CD PRO A 52 61.893 -0.443 8.440 1.00 0.71 C ATOM 0 HA PRO A 52 63.368 0.916 11.054 1.00 0.80 H new ATOM 0 HB2 PRO A 52 63.535 2.434 8.760 1.00 0.85 H new ATOM 0 HB3 PRO A 52 64.444 0.945 8.923 1.00 0.85 H new ATOM 0 HG2 PRO A 52 61.894 1.455 7.431 1.00 0.79 H new ATOM 0 HG3 PRO A 52 63.238 0.416 7.000 1.00 0.79 H new ATOM 0 HD2 PRO A 52 60.872 -0.526 8.067 1.00 0.71 H new ATOM 0 HD3 PRO A 52 62.396 -1.381 8.203 1.00 0.71 H new ATOM 809 N THR A 53 62.177 3.068 11.454 1.00 0.87 N ATOM 810 CA THR A 53 61.308 4.202 11.861 1.00 0.92 C ATOM 811 C THR A 53 61.193 5.215 10.718 1.00 0.82 C ATOM 812 O THR A 53 62.153 5.478 10.023 1.00 0.76 O ATOM 813 CB THR A 53 62.024 4.818 13.060 1.00 1.08 C ATOM 814 OG1 THR A 53 61.923 3.942 14.173 1.00 1.26 O ATOM 815 CG2 THR A 53 61.380 6.157 13.403 1.00 1.54 C ATOM 0 H THR A 53 63.093 3.043 11.901 1.00 0.87 H new ATOM 0 HA THR A 53 60.293 3.889 12.104 1.00 0.92 H new ATOM 0 HB THR A 53 63.075 4.973 12.816 1.00 1.08 H new ATOM 0 HG1 THR A 53 62.384 4.336 14.943 1.00 1.26 H new ATOM 0 HG21 THR A 53 61.891 6.598 14.259 1.00 1.54 H new ATOM 0 HG22 THR A 53 61.459 6.829 12.548 1.00 1.54 H new ATOM 0 HG23 THR A 53 60.329 6.003 13.647 1.00 1.54 H new ATOM 823 N PRO A 54 60.012 5.748 10.566 1.00 0.82 N ATOM 824 CA PRO A 54 59.758 6.745 9.497 1.00 0.75 C ATOM 825 C PRO A 54 60.429 8.078 9.841 1.00 0.73 C ATOM 826 O PRO A 54 60.975 8.748 8.988 1.00 0.69 O ATOM 827 CB PRO A 54 58.239 6.884 9.490 1.00 0.83 C ATOM 828 CG PRO A 54 57.807 6.482 10.865 1.00 0.94 C ATOM 829 CD PRO A 54 58.814 5.480 11.368 1.00 0.93 C ATOM 0 HA PRO A 54 60.156 6.446 8.527 1.00 0.75 H new ATOM 0 HB2 PRO A 54 57.937 7.907 9.265 1.00 0.83 H new ATOM 0 HB3 PRO A 54 57.788 6.244 8.732 1.00 0.83 H new ATOM 0 HG2 PRO A 54 57.763 7.349 11.524 1.00 0.94 H new ATOM 0 HG3 PRO A 54 56.808 6.047 10.844 1.00 0.94 H new ATOM 0 HD2 PRO A 54 59.009 5.610 12.433 1.00 0.93 H new ATOM 0 HD3 PRO A 54 58.462 4.457 11.231 1.00 0.93 H new ATOM 837 N GLU A 55 60.392 8.467 11.087 1.00 0.85 N ATOM 838 CA GLU A 55 61.029 9.755 11.485 1.00 0.87 C ATOM 839 C GLU A 55 62.548 9.665 11.316 1.00 0.84 C ATOM 840 O GLU A 55 63.221 10.657 11.121 1.00 0.82 O ATOM 841 CB GLU A 55 60.662 9.939 12.958 1.00 1.02 C ATOM 842 CG GLU A 55 60.186 11.375 13.190 1.00 1.48 C ATOM 843 CD GLU A 55 60.782 11.906 14.495 1.00 2.02 C ATOM 844 OE1 GLU A 55 60.156 11.728 15.526 1.00 2.53 O ATOM 845 OE2 GLU A 55 61.857 12.482 14.441 1.00 2.57 O ATOM 0 H GLU A 55 59.949 7.949 11.846 1.00 0.85 H new ATOM 0 HA GLU A 55 60.690 10.592 10.874 1.00 0.87 H new ATOM 0 HB2 GLU A 55 59.879 9.235 13.239 1.00 1.02 H new ATOM 0 HB3 GLU A 55 61.525 9.724 13.588 1.00 1.02 H new ATOM 0 HG2 GLU A 55 60.488 12.009 12.356 1.00 1.48 H new ATOM 0 HG3 GLU A 55 59.097 11.406 13.236 1.00 1.48 H new ATOM 852 N GLU A 56 63.091 8.480 11.388 1.00 0.88 N ATOM 853 CA GLU A 56 64.565 8.324 11.230 1.00 0.91 C ATOM 854 C GLU A 56 64.916 8.109 9.755 1.00 0.80 C ATOM 855 O GLU A 56 65.961 8.516 9.290 1.00 0.81 O ATOM 856 CB GLU A 56 64.921 7.086 12.053 1.00 1.00 C ATOM 857 CG GLU A 56 65.295 7.508 13.475 1.00 1.44 C ATOM 858 CD GLU A 56 66.801 7.331 13.680 1.00 1.39 C ATOM 859 OE1 GLU A 56 67.506 7.229 12.690 1.00 1.79 O ATOM 860 OE2 GLU A 56 67.223 7.300 14.824 1.00 2.00 O ATOM 0 H GLU A 56 62.578 7.613 11.549 1.00 0.88 H new ATOM 0 HA GLU A 56 65.114 9.205 11.562 1.00 0.91 H new ATOM 0 HB2 GLU A 56 64.077 6.397 12.077 1.00 1.00 H new ATOM 0 HB3 GLU A 56 65.752 6.555 11.589 1.00 1.00 H new ATOM 0 HG2 GLU A 56 65.014 8.548 13.643 1.00 1.44 H new ATOM 0 HG3 GLU A 56 64.745 6.908 14.200 1.00 1.44 H new ATOM 867 N LEU A 57 64.049 7.473 9.018 1.00 0.75 N ATOM 868 CA LEU A 57 64.332 7.233 7.574 1.00 0.70 C ATOM 869 C LEU A 57 64.783 8.532 6.901 1.00 0.67 C ATOM 870 O LEU A 57 65.886 8.634 6.402 1.00 0.71 O ATOM 871 CB LEU A 57 63.002 6.758 6.984 1.00 0.69 C ATOM 872 CG LEU A 57 63.204 5.407 6.293 1.00 1.00 C ATOM 873 CD1 LEU A 57 63.005 4.280 7.309 1.00 1.51 C ATOM 874 CD2 LEU A 57 62.185 5.259 5.162 1.00 1.41 C ATOM 0 H LEU A 57 63.157 7.109 9.352 1.00 0.75 H new ATOM 0 HA LEU A 57 65.129 6.504 7.424 1.00 0.70 H new ATOM 0 HB2 LEU A 57 62.254 6.667 7.772 1.00 0.69 H new ATOM 0 HB3 LEU A 57 62.626 7.491 6.270 1.00 0.69 H new ATOM 0 HG LEU A 57 64.213 5.353 5.884 1.00 1.00 H new ATOM 0 HD11 LEU A 57 63.149 3.318 6.818 1.00 1.51 H new ATOM 0 HD12 LEU A 57 63.729 4.387 8.117 1.00 1.51 H new ATOM 0 HD13 LEU A 57 61.996 4.332 7.717 1.00 1.51 H new ATOM 0 HD21 LEU A 57 62.327 4.298 4.668 1.00 1.41 H new ATOM 0 HD22 LEU A 57 61.176 5.311 5.572 1.00 1.41 H new ATOM 0 HD23 LEU A 57 62.325 6.062 4.439 1.00 1.41 H new ATOM 886 N GLN A 58 63.939 9.527 6.885 1.00 0.68 N ATOM 887 CA GLN A 58 64.320 10.820 6.245 1.00 0.72 C ATOM 888 C GLN A 58 65.702 11.261 6.735 1.00 0.71 C ATOM 889 O GLN A 58 66.568 11.605 5.953 1.00 0.79 O ATOM 890 CB GLN A 58 63.249 11.816 6.691 1.00 0.79 C ATOM 891 CG GLN A 58 62.411 12.239 5.484 1.00 1.09 C ATOM 892 CD GLN A 58 63.151 13.329 4.705 1.00 1.67 C ATOM 893 OE1 GLN A 58 63.950 14.054 5.264 1.00 2.37 O ATOM 894 NE2 GLN A 58 62.917 13.477 3.430 1.00 2.20 N ATOM 0 H GLN A 58 63.002 9.501 7.287 1.00 0.68 H new ATOM 0 HA GLN A 58 64.376 10.744 5.159 1.00 0.72 H new ATOM 0 HB2 GLN A 58 62.610 11.364 7.450 1.00 0.79 H new ATOM 0 HB3 GLN A 58 63.716 12.689 7.147 1.00 0.79 H new ATOM 0 HG2 GLN A 58 62.223 11.380 4.839 1.00 1.09 H new ATOM 0 HG3 GLN A 58 61.440 12.608 5.814 1.00 1.09 H new ATOM 0 HE21 GLN A 58 62.246 12.869 2.961 1.00 2.20 H new ATOM 0 HE22 GLN A 58 63.405 14.201 2.903 1.00 2.20 H new ATOM 903 N GLU A 59 65.917 11.256 8.022 1.00 0.70 N ATOM 904 CA GLU A 59 67.243 11.676 8.558 1.00 0.72 C ATOM 905 C GLU A 59 68.362 10.871 7.891 1.00 0.73 C ATOM 906 O GLU A 59 69.373 11.410 7.490 1.00 0.75 O ATOM 907 CB GLU A 59 67.180 11.369 10.055 1.00 0.75 C ATOM 908 CG GLU A 59 68.061 12.360 10.818 1.00 1.37 C ATOM 909 CD GLU A 59 67.984 12.064 12.317 1.00 1.66 C ATOM 910 OE1 GLU A 59 67.060 12.547 12.949 1.00 2.42 O ATOM 911 OE2 GLU A 59 68.851 11.359 12.806 1.00 2.02 O ATOM 0 H GLU A 59 65.232 10.979 8.725 1.00 0.70 H new ATOM 0 HA GLU A 59 67.452 12.728 8.366 1.00 0.72 H new ATOM 0 HB2 GLU A 59 66.151 11.435 10.407 1.00 0.75 H new ATOM 0 HB3 GLU A 59 67.516 10.349 10.242 1.00 0.75 H new ATOM 0 HG2 GLU A 59 69.093 12.285 10.474 1.00 1.37 H new ATOM 0 HG3 GLU A 59 67.733 13.381 10.621 1.00 1.37 H new ATOM 918 N MET A 60 68.186 9.583 7.770 1.00 0.79 N ATOM 919 CA MET A 60 69.240 8.746 7.127 1.00 0.84 C ATOM 920 C MET A 60 69.391 9.128 5.653 1.00 0.82 C ATOM 921 O MET A 60 70.471 9.435 5.188 1.00 0.96 O ATOM 922 CB MET A 60 68.740 7.307 7.260 1.00 0.93 C ATOM 923 CG MET A 60 68.534 6.973 8.739 1.00 1.27 C ATOM 924 SD MET A 60 67.144 5.826 8.911 1.00 1.65 S ATOM 925 CE MET A 60 68.109 4.295 8.880 1.00 0.97 C ATOM 0 H MET A 60 67.360 9.075 8.088 1.00 0.79 H new ATOM 0 HA MET A 60 70.216 8.882 7.592 1.00 0.84 H new ATOM 0 HB2 MET A 60 67.804 7.184 6.715 1.00 0.93 H new ATOM 0 HB3 MET A 60 69.460 6.618 6.817 1.00 0.93 H new ATOM 0 HG2 MET A 60 69.439 6.528 9.152 1.00 1.27 H new ATOM 0 HG3 MET A 60 68.340 7.884 9.305 1.00 1.27 H new ATOM 0 HE1 MET A 60 67.439 3.441 8.974 1.00 0.97 H new ATOM 0 HE2 MET A 60 68.653 4.227 7.938 1.00 0.97 H new ATOM 0 HE3 MET A 60 68.817 4.294 9.709 1.00 0.97 H new ATOM 935 N ILE A 61 68.315 9.112 4.913 1.00 0.76 N ATOM 936 CA ILE A 61 68.398 9.475 3.469 1.00 0.78 C ATOM 937 C ILE A 61 69.156 10.794 3.300 1.00 0.77 C ATOM 938 O ILE A 61 69.697 11.080 2.251 1.00 0.82 O ATOM 939 CB ILE A 61 66.946 9.629 3.015 1.00 0.81 C ATOM 940 CG1 ILE A 61 66.235 8.279 3.119 1.00 0.90 C ATOM 941 CG2 ILE A 61 66.912 10.113 1.564 1.00 0.89 C ATOM 942 CD1 ILE A 61 64.729 8.504 3.262 1.00 0.98 C ATOM 0 H ILE A 61 67.383 8.864 5.246 1.00 0.76 H new ATOM 0 HA ILE A 61 68.930 8.725 2.884 1.00 0.78 H new ATOM 0 HB ILE A 61 66.442 10.356 3.651 1.00 0.81 H new ATOM 0 HG12 ILE A 61 66.441 7.679 2.233 1.00 0.90 H new ATOM 0 HG13 ILE A 61 66.613 7.722 3.976 1.00 0.90 H new ATOM 0 HG21 ILE A 61 65.877 10.222 1.241 1.00 0.89 H new ATOM 0 HG22 ILE A 61 67.419 11.075 1.489 1.00 0.89 H new ATOM 0 HG23 ILE A 61 67.416 9.387 0.926 1.00 0.89 H new ATOM 0 HD11 ILE A 61 64.223 7.542 3.336 1.00 0.98 H new ATOM 0 HD12 ILE A 61 64.532 9.088 4.161 1.00 0.98 H new ATOM 0 HD13 ILE A 61 64.357 9.043 2.391 1.00 0.98 H new ATOM 954 N ASP A 62 69.198 11.601 4.326 1.00 0.82 N ATOM 955 CA ASP A 62 69.922 12.900 4.224 1.00 0.90 C ATOM 956 C ASP A 62 71.421 12.656 4.043 1.00 0.85 C ATOM 957 O ASP A 62 72.080 13.318 3.265 1.00 0.91 O ATOM 958 CB ASP A 62 69.649 13.611 5.549 1.00 1.03 C ATOM 959 CG ASP A 62 69.123 15.020 5.274 1.00 1.58 C ATOM 960 OD1 ASP A 62 68.155 15.137 4.538 1.00 2.24 O ATOM 961 OD2 ASP A 62 69.695 15.960 5.801 1.00 2.06 O ATOM 0 H ASP A 62 68.762 11.417 5.230 1.00 0.82 H new ATOM 0 HA ASP A 62 69.592 13.491 3.370 1.00 0.90 H new ATOM 0 HB2 ASP A 62 68.921 13.047 6.133 1.00 1.03 H new ATOM 0 HB3 ASP A 62 70.563 13.662 6.141 1.00 1.03 H new ATOM 966 N GLU A 63 71.967 11.708 4.755 1.00 0.84 N ATOM 967 CA GLU A 63 73.419 11.417 4.624 1.00 0.91 C ATOM 968 C GLU A 63 73.646 10.421 3.477 1.00 1.01 C ATOM 969 O GLU A 63 74.761 10.033 3.191 1.00 1.32 O ATOM 970 CB GLU A 63 73.813 10.825 5.987 1.00 0.99 C ATOM 971 CG GLU A 63 74.865 9.726 5.816 1.00 1.35 C ATOM 972 CD GLU A 63 75.352 9.266 7.191 1.00 1.55 C ATOM 973 OE1 GLU A 63 74.591 8.602 7.876 1.00 2.00 O ATOM 974 OE2 GLU A 63 76.479 9.584 7.536 1.00 2.14 O ATOM 0 H GLU A 63 71.467 11.122 5.423 1.00 0.84 H new ATOM 0 HA GLU A 63 74.019 12.295 4.385 1.00 0.91 H new ATOM 0 HB2 GLU A 63 74.204 11.612 6.632 1.00 0.99 H new ATOM 0 HB3 GLU A 63 72.931 10.417 6.481 1.00 0.99 H new ATOM 0 HG2 GLU A 63 74.441 8.884 5.269 1.00 1.35 H new ATOM 0 HG3 GLU A 63 75.703 10.099 5.228 1.00 1.35 H new ATOM 981 N VAL A 64 72.595 10.010 2.819 1.00 0.92 N ATOM 982 CA VAL A 64 72.751 9.045 1.693 1.00 1.07 C ATOM 983 C VAL A 64 72.449 9.737 0.362 1.00 1.13 C ATOM 984 O VAL A 64 73.160 9.576 -0.610 1.00 1.54 O ATOM 985 CB VAL A 64 71.724 7.946 1.968 1.00 1.23 C ATOM 986 CG1 VAL A 64 71.780 6.903 0.851 1.00 2.24 C ATOM 987 CG2 VAL A 64 72.042 7.277 3.307 1.00 1.42 C ATOM 0 H VAL A 64 71.637 10.301 3.012 1.00 0.92 H new ATOM 0 HA VAL A 64 73.764 8.649 1.625 1.00 1.07 H new ATOM 0 HB VAL A 64 70.726 8.382 2.006 1.00 1.23 H new ATOM 0 HG11 VAL A 64 71.048 6.120 1.047 1.00 2.24 H new ATOM 0 HG12 VAL A 64 71.555 7.379 -0.103 1.00 2.24 H new ATOM 0 HG13 VAL A 64 72.778 6.465 0.811 1.00 2.24 H new ATOM 0 HG21 VAL A 64 71.311 6.493 3.505 1.00 1.42 H new ATOM 0 HG22 VAL A 64 73.040 6.841 3.268 1.00 1.42 H new ATOM 0 HG23 VAL A 64 72.002 8.020 4.104 1.00 1.42 H new ATOM 997 N ASP A 65 71.397 10.509 0.312 1.00 1.00 N ATOM 998 CA ASP A 65 71.047 11.213 -0.955 1.00 1.14 C ATOM 999 C ASP A 65 71.898 12.476 -1.109 1.00 1.45 C ATOM 1000 O ASP A 65 71.489 13.560 -0.740 1.00 1.74 O ATOM 1001 CB ASP A 65 69.569 11.574 -0.810 1.00 1.21 C ATOM 1002 CG ASP A 65 68.710 10.474 -1.435 1.00 2.09 C ATOM 1003 OD1 ASP A 65 69.263 9.445 -1.787 1.00 2.63 O ATOM 1004 OD2 ASP A 65 67.513 10.678 -1.552 1.00 2.83 O ATOM 0 H ASP A 65 70.765 10.683 1.094 1.00 1.00 H new ATOM 0 HA ASP A 65 71.231 10.598 -1.836 1.00 1.14 H new ATOM 0 HB2 ASP A 65 69.315 11.694 0.243 1.00 1.21 H new ATOM 0 HB3 ASP A 65 69.368 12.528 -1.297 1.00 1.21 H new ATOM 1043 N SER A 69 68.002 14.530 -3.941 1.00 1.42 N ATOM 1044 CA SER A 69 66.846 14.349 -4.865 1.00 1.79 C ATOM 1045 C SER A 69 65.669 13.710 -4.123 1.00 1.42 C ATOM 1046 O SER A 69 64.521 13.981 -4.409 1.00 1.97 O ATOM 1047 CB SER A 69 67.357 13.416 -5.962 1.00 2.79 C ATOM 1048 OG SER A 69 66.861 13.854 -7.219 1.00 3.72 O ATOM 0 HA SER A 69 66.490 15.297 -5.269 1.00 1.79 H new ATOM 0 HB2 SER A 69 68.447 13.409 -5.971 1.00 2.79 H new ATOM 0 HB3 SER A 69 67.033 12.394 -5.766 1.00 2.79 H new ATOM 0 HG SER A 69 67.188 13.259 -7.925 1.00 3.72 H new ATOM 1054 N GLY A 70 65.947 12.860 -3.172 1.00 1.01 N ATOM 1055 CA GLY A 70 64.845 12.204 -2.414 1.00 1.07 C ATOM 1056 C GLY A 70 64.575 10.819 -3.004 1.00 0.84 C ATOM 1057 O GLY A 70 63.530 10.236 -2.793 1.00 0.87 O ATOM 0 H GLY A 70 66.889 12.592 -2.888 1.00 1.01 H new ATOM 0 HA2 GLY A 70 65.115 12.116 -1.362 1.00 1.07 H new ATOM 0 HA3 GLY A 70 63.943 12.814 -2.462 1.00 1.07 H new ATOM 1061 N THR A 71 65.511 10.287 -3.742 1.00 0.70 N ATOM 1062 CA THR A 71 65.311 8.939 -4.345 1.00 0.55 C ATOM 1063 C THR A 71 66.580 8.098 -4.186 1.00 0.54 C ATOM 1064 O THR A 71 67.682 8.590 -4.319 1.00 0.72 O ATOM 1065 CB THR A 71 65.021 9.204 -5.823 1.00 0.60 C ATOM 1066 OG1 THR A 71 66.199 9.684 -6.455 1.00 0.83 O ATOM 1067 CG2 THR A 71 63.910 10.247 -5.947 1.00 0.81 C ATOM 0 H THR A 71 66.406 10.728 -3.953 1.00 0.70 H new ATOM 0 HA THR A 71 64.502 8.387 -3.866 1.00 0.55 H new ATOM 0 HB THR A 71 64.702 8.279 -6.304 1.00 0.60 H new ATOM 0 HG1 THR A 71 66.016 9.853 -7.403 1.00 0.83 H new ATOM 0 HG21 THR A 71 63.704 10.435 -7.001 1.00 0.81 H new ATOM 0 HG22 THR A 71 63.007 9.877 -5.461 1.00 0.81 H new ATOM 0 HG23 THR A 71 64.226 11.174 -5.468 1.00 0.81 H new ATOM 1075 N VAL A 72 66.432 6.835 -3.898 1.00 0.52 N ATOM 1076 CA VAL A 72 67.632 5.964 -3.725 1.00 0.65 C ATOM 1077 C VAL A 72 67.759 4.961 -4.869 1.00 0.56 C ATOM 1078 O VAL A 72 66.781 4.523 -5.444 1.00 0.57 O ATOM 1079 CB VAL A 72 67.426 5.213 -2.406 1.00 0.92 C ATOM 1080 CG1 VAL A 72 67.865 6.099 -1.249 1.00 1.52 C ATOM 1081 CG2 VAL A 72 65.951 4.835 -2.232 1.00 1.23 C ATOM 0 H VAL A 72 65.534 6.367 -3.775 1.00 0.52 H new ATOM 0 HA VAL A 72 68.542 6.564 -3.721 1.00 0.65 H new ATOM 0 HB VAL A 72 68.022 4.301 -2.420 1.00 0.92 H new ATOM 0 HG11 VAL A 72 67.720 5.568 -0.308 1.00 1.52 H new ATOM 0 HG12 VAL A 72 68.919 6.352 -1.364 1.00 1.52 H new ATOM 0 HG13 VAL A 72 67.271 7.013 -1.245 1.00 1.52 H new ATOM 0 HG21 VAL A 72 65.821 4.302 -1.290 1.00 1.23 H new ATOM 0 HG22 VAL A 72 65.342 5.739 -2.225 1.00 1.23 H new ATOM 0 HG23 VAL A 72 65.640 4.195 -3.057 1.00 1.23 H new ATOM 1091 N ASP A 73 68.964 4.577 -5.180 1.00 0.64 N ATOM 1092 CA ASP A 73 69.180 3.581 -6.263 1.00 0.70 C ATOM 1093 C ASP A 73 69.700 2.283 -5.644 1.00 0.70 C ATOM 1094 O ASP A 73 70.025 2.234 -4.474 1.00 0.71 O ATOM 1095 CB ASP A 73 70.234 4.206 -7.178 1.00 0.85 C ATOM 1096 CG ASP A 73 69.627 5.402 -7.913 1.00 1.25 C ATOM 1097 OD1 ASP A 73 68.767 6.050 -7.339 1.00 1.72 O ATOM 1098 OD2 ASP A 73 70.032 5.649 -9.037 1.00 1.91 O ATOM 0 H ASP A 73 69.814 4.913 -4.727 1.00 0.64 H new ATOM 0 HA ASP A 73 68.270 3.345 -6.814 1.00 0.70 H new ATOM 0 HB2 ASP A 73 71.096 4.525 -6.592 1.00 0.85 H new ATOM 0 HB3 ASP A 73 70.592 3.468 -7.896 1.00 0.85 H new ATOM 1103 N PHE A 74 69.780 1.233 -6.405 1.00 0.81 N ATOM 1104 CA PHE A 74 70.277 -0.052 -5.836 1.00 0.87 C ATOM 1105 C PHE A 74 71.526 0.194 -4.985 1.00 0.76 C ATOM 1106 O PHE A 74 71.809 -0.534 -4.055 1.00 0.74 O ATOM 1107 CB PHE A 74 70.617 -0.918 -7.048 1.00 1.04 C ATOM 1108 CG PHE A 74 70.242 -2.350 -6.764 1.00 1.34 C ATOM 1109 CD1 PHE A 74 68.941 -2.664 -6.354 1.00 2.16 C ATOM 1110 CD2 PHE A 74 71.194 -3.365 -6.911 1.00 2.11 C ATOM 1111 CE1 PHE A 74 68.592 -3.994 -6.092 1.00 3.14 C ATOM 1112 CE2 PHE A 74 70.846 -4.696 -6.649 1.00 3.02 C ATOM 1113 CZ PHE A 74 69.544 -5.010 -6.239 1.00 3.42 C ATOM 0 H PHE A 74 69.525 1.205 -7.392 1.00 0.81 H new ATOM 0 HA PHE A 74 69.541 -0.528 -5.189 1.00 0.87 H new ATOM 0 HB2 PHE A 74 70.082 -0.558 -7.927 1.00 1.04 H new ATOM 0 HB3 PHE A 74 71.681 -0.847 -7.272 1.00 1.04 H new ATOM 0 HD1 PHE A 74 68.207 -1.880 -6.240 1.00 2.16 H new ATOM 0 HD2 PHE A 74 72.198 -3.122 -7.227 1.00 2.11 H new ATOM 0 HE1 PHE A 74 67.588 -4.237 -5.776 1.00 3.14 H new ATOM 0 HE2 PHE A 74 71.581 -5.479 -6.763 1.00 3.02 H new ATOM 0 HZ PHE A 74 69.274 -6.036 -6.036 1.00 3.42 H new ATOM 1123 N ASP A 75 72.275 1.213 -5.300 1.00 0.79 N ATOM 1124 CA ASP A 75 73.508 1.505 -4.512 1.00 0.78 C ATOM 1125 C ASP A 75 73.154 2.220 -3.204 1.00 0.71 C ATOM 1126 O ASP A 75 73.653 1.882 -2.149 1.00 0.67 O ATOM 1127 CB ASP A 75 74.345 2.415 -5.411 1.00 0.96 C ATOM 1128 CG ASP A 75 75.603 2.856 -4.659 1.00 1.50 C ATOM 1129 OD1 ASP A 75 75.517 3.817 -3.913 1.00 2.18 O ATOM 1130 OD2 ASP A 75 76.630 2.223 -4.843 1.00 1.99 O ATOM 0 H ASP A 75 72.088 1.857 -6.069 1.00 0.79 H new ATOM 0 HA ASP A 75 74.043 0.596 -4.237 1.00 0.78 H new ATOM 0 HB2 ASP A 75 74.620 1.888 -6.325 1.00 0.96 H new ATOM 0 HB3 ASP A 75 73.762 3.286 -5.709 1.00 0.96 H new ATOM 1135 N GLU A 76 72.302 3.208 -3.260 1.00 0.74 N ATOM 1136 CA GLU A 76 71.929 3.941 -2.016 1.00 0.72 C ATOM 1137 C GLU A 76 71.119 3.036 -1.083 1.00 0.61 C ATOM 1138 O GLU A 76 71.422 2.908 0.087 1.00 0.60 O ATOM 1139 CB GLU A 76 71.081 5.122 -2.488 1.00 0.82 C ATOM 1140 CG GLU A 76 71.828 5.880 -3.589 1.00 0.96 C ATOM 1141 CD GLU A 76 71.518 7.374 -3.481 1.00 1.36 C ATOM 1142 OE1 GLU A 76 70.524 7.795 -4.048 1.00 2.01 O ATOM 1143 OE2 GLU A 76 72.283 8.071 -2.834 1.00 2.14 O ATOM 0 H GLU A 76 71.849 3.539 -4.112 1.00 0.74 H new ATOM 0 HA GLU A 76 72.805 4.267 -1.455 1.00 0.72 H new ATOM 0 HB2 GLU A 76 70.121 4.767 -2.863 1.00 0.82 H new ATOM 0 HB3 GLU A 76 70.870 5.789 -1.652 1.00 0.82 H new ATOM 0 HG2 GLU A 76 72.901 5.713 -3.496 1.00 0.96 H new ATOM 0 HG3 GLU A 76 71.531 5.506 -4.569 1.00 0.96 H new ATOM 1150 N PHE A 77 70.090 2.408 -1.585 1.00 0.60 N ATOM 1151 CA PHE A 77 69.267 1.517 -0.716 1.00 0.54 C ATOM 1152 C PHE A 77 70.137 0.411 -0.109 1.00 0.48 C ATOM 1153 O PHE A 77 70.074 0.138 1.073 1.00 0.55 O ATOM 1154 CB PHE A 77 68.213 0.916 -1.647 1.00 0.61 C ATOM 1155 CG PHE A 77 67.334 -0.030 -0.865 1.00 0.67 C ATOM 1156 CD1 PHE A 77 67.070 0.217 0.488 1.00 1.52 C ATOM 1157 CD2 PHE A 77 66.785 -1.154 -1.492 1.00 1.30 C ATOM 1158 CE1 PHE A 77 66.255 -0.661 1.213 1.00 1.78 C ATOM 1159 CE2 PHE A 77 65.971 -2.033 -0.766 1.00 1.38 C ATOM 1160 CZ PHE A 77 65.705 -1.785 0.586 1.00 1.25 C ATOM 0 H PHE A 77 69.784 2.473 -2.556 1.00 0.60 H new ATOM 0 HA PHE A 77 68.817 2.059 0.116 1.00 0.54 H new ATOM 0 HB2 PHE A 77 67.610 1.708 -2.090 1.00 0.61 H new ATOM 0 HB3 PHE A 77 68.696 0.386 -2.468 1.00 0.61 H new ATOM 0 HD1 PHE A 77 67.495 1.084 0.972 1.00 1.52 H new ATOM 0 HD2 PHE A 77 66.989 -1.344 -2.535 1.00 1.30 H new ATOM 0 HE1 PHE A 77 66.051 -0.471 2.256 1.00 1.78 H new ATOM 0 HE2 PHE A 77 65.549 -2.902 -1.249 1.00 1.38 H new ATOM 0 HZ PHE A 77 65.075 -2.461 1.145 1.00 1.25 H new ATOM 1170 N LEU A 78 70.944 -0.229 -0.910 1.00 0.46 N ATOM 1171 CA LEU A 78 71.812 -1.321 -0.381 1.00 0.49 C ATOM 1172 C LEU A 78 72.565 -0.849 0.868 1.00 0.48 C ATOM 1173 O LEU A 78 72.614 -1.535 1.870 1.00 0.54 O ATOM 1174 CB LEU A 78 72.791 -1.629 -1.514 1.00 0.56 C ATOM 1175 CG LEU A 78 72.198 -2.707 -2.424 1.00 0.78 C ATOM 1176 CD1 LEU A 78 73.091 -2.883 -3.655 1.00 1.70 C ATOM 1177 CD2 LEU A 78 72.118 -4.031 -1.661 1.00 0.70 C ATOM 0 H LEU A 78 71.040 -0.044 -1.908 1.00 0.46 H new ATOM 0 HA LEU A 78 71.236 -2.199 -0.087 1.00 0.49 H new ATOM 0 HB2 LEU A 78 72.995 -0.725 -2.088 1.00 0.56 H new ATOM 0 HB3 LEU A 78 73.743 -1.967 -1.104 1.00 0.56 H new ATOM 0 HG LEU A 78 71.198 -2.407 -2.739 1.00 0.78 H new ATOM 0 HD11 LEU A 78 72.669 -3.651 -4.304 1.00 1.70 H new ATOM 0 HD12 LEU A 78 73.150 -1.940 -4.199 1.00 1.70 H new ATOM 0 HD13 LEU A 78 74.090 -3.183 -3.340 1.00 1.70 H new ATOM 0 HD21 LEU A 78 71.696 -4.799 -2.309 1.00 0.70 H new ATOM 0 HD22 LEU A 78 73.118 -4.331 -1.347 1.00 0.70 H new ATOM 0 HD23 LEU A 78 71.484 -3.907 -0.783 1.00 0.70 H new ATOM 1189 N VAL A 79 73.157 0.312 0.815 1.00 0.46 N ATOM 1190 CA VAL A 79 73.911 0.821 1.999 1.00 0.51 C ATOM 1191 C VAL A 79 72.962 1.056 3.179 1.00 0.53 C ATOM 1192 O VAL A 79 73.198 0.593 4.277 1.00 0.64 O ATOM 1193 CB VAL A 79 74.528 2.142 1.537 1.00 0.54 C ATOM 1194 CG1 VAL A 79 75.256 2.804 2.709 1.00 0.67 C ATOM 1195 CG2 VAL A 79 75.525 1.870 0.408 1.00 0.62 C ATOM 0 H VAL A 79 73.152 0.931 0.004 1.00 0.46 H new ATOM 0 HA VAL A 79 74.666 0.113 2.339 1.00 0.51 H new ATOM 0 HB VAL A 79 73.741 2.804 1.178 1.00 0.54 H new ATOM 0 HG11 VAL A 79 75.696 3.745 2.379 1.00 0.67 H new ATOM 0 HG12 VAL A 79 74.548 2.997 3.515 1.00 0.67 H new ATOM 0 HG13 VAL A 79 76.044 2.142 3.069 1.00 0.67 H new ATOM 0 HG21 VAL A 79 75.966 2.810 0.077 1.00 0.62 H new ATOM 0 HG22 VAL A 79 76.312 1.208 0.769 1.00 0.62 H new ATOM 0 HG23 VAL A 79 75.008 1.398 -0.428 1.00 0.62 H new ATOM 1205 N MET A 80 71.896 1.776 2.962 1.00 0.52 N ATOM 1206 CA MET A 80 70.938 2.044 4.074 1.00 0.60 C ATOM 1207 C MET A 80 70.438 0.731 4.684 1.00 0.62 C ATOM 1208 O MET A 80 70.009 0.687 5.819 1.00 0.71 O ATOM 1209 CB MET A 80 69.783 2.805 3.424 1.00 0.66 C ATOM 1210 CG MET A 80 70.177 4.270 3.235 1.00 1.11 C ATOM 1211 SD MET A 80 68.725 5.322 3.487 1.00 1.23 S ATOM 1212 CE MET A 80 68.224 5.434 1.752 1.00 0.86 C ATOM 0 H MET A 80 71.646 2.190 2.064 1.00 0.52 H new ATOM 0 HA MET A 80 71.399 2.609 4.884 1.00 0.60 H new ATOM 0 HB2 MET A 80 69.535 2.357 2.462 1.00 0.66 H new ATOM 0 HB3 MET A 80 68.891 2.735 4.047 1.00 0.66 H new ATOM 0 HG2 MET A 80 70.962 4.541 3.941 1.00 1.11 H new ATOM 0 HG3 MET A 80 70.581 4.423 2.234 1.00 1.11 H new ATOM 0 HE1 MET A 80 67.172 5.163 1.659 1.00 0.86 H new ATOM 0 HE2 MET A 80 68.369 6.454 1.397 1.00 0.86 H new ATOM 0 HE3 MET A 80 68.829 4.752 1.154 1.00 0.86 H new ATOM 1222 N MET A 81 70.487 -0.340 3.939 1.00 0.61 N ATOM 1223 CA MET A 81 70.010 -1.645 4.481 1.00 0.72 C ATOM 1224 C MET A 81 71.075 -2.264 5.390 1.00 0.79 C ATOM 1225 O MET A 81 70.799 -2.649 6.510 1.00 0.91 O ATOM 1226 CB MET A 81 69.779 -2.524 3.251 1.00 0.75 C ATOM 1227 CG MET A 81 68.291 -2.855 3.132 1.00 1.01 C ATOM 1228 SD MET A 81 67.717 -3.609 4.675 1.00 1.71 S ATOM 1229 CE MET A 81 66.391 -4.610 3.958 1.00 1.66 C ATOM 0 H MET A 81 70.836 -0.368 2.981 1.00 0.61 H new ATOM 0 HA MET A 81 69.106 -1.536 5.081 1.00 0.72 H new ATOM 0 HB2 MET A 81 70.121 -2.009 2.353 1.00 0.75 H new ATOM 0 HB3 MET A 81 70.361 -3.442 3.332 1.00 0.75 H new ATOM 0 HG2 MET A 81 67.721 -1.949 2.923 1.00 1.01 H new ATOM 0 HG3 MET A 81 68.124 -3.536 2.298 1.00 1.01 H new ATOM 0 HE1 MET A 81 65.454 -4.394 4.471 1.00 1.66 H new ATOM 0 HE2 MET A 81 66.288 -4.373 2.899 1.00 1.66 H new ATOM 0 HE3 MET A 81 66.631 -5.667 4.071 1.00 1.66 H new ATOM 1239 N VAL A 82 72.287 -2.367 4.920 1.00 0.78 N ATOM 1240 CA VAL A 82 73.364 -2.964 5.760 1.00 0.90 C ATOM 1241 C VAL A 82 73.702 -2.037 6.931 1.00 0.94 C ATOM 1242 O VAL A 82 74.396 -2.415 7.853 1.00 1.13 O ATOM 1243 CB VAL A 82 74.564 -3.108 4.825 1.00 0.98 C ATOM 1244 CG1 VAL A 82 74.196 -4.022 3.655 1.00 1.83 C ATOM 1245 CG2 VAL A 82 74.958 -1.729 4.289 1.00 1.38 C ATOM 0 H VAL A 82 72.579 -2.064 3.991 1.00 0.78 H new ATOM 0 HA VAL A 82 73.067 -3.920 6.191 1.00 0.90 H new ATOM 0 HB VAL A 82 75.401 -3.541 5.373 1.00 0.98 H new ATOM 0 HG11 VAL A 82 75.053 -4.124 2.989 1.00 1.83 H new ATOM 0 HG12 VAL A 82 73.913 -5.004 4.035 1.00 1.83 H new ATOM 0 HG13 VAL A 82 73.359 -3.591 3.106 1.00 1.83 H new ATOM 0 HG21 VAL A 82 75.814 -1.829 3.622 1.00 1.38 H new ATOM 0 HG22 VAL A 82 74.120 -1.298 3.742 1.00 1.38 H new ATOM 0 HG23 VAL A 82 75.221 -1.077 5.122 1.00 1.38 H new ATOM 1255 N ARG A 83 73.220 -0.825 6.900 1.00 0.84 N ATOM 1256 CA ARG A 83 73.518 0.123 8.013 1.00 0.93 C ATOM 1257 C ARG A 83 72.416 0.061 9.074 1.00 0.93 C ATOM 1258 O ARG A 83 72.606 0.466 10.203 1.00 1.23 O ATOM 1259 CB ARG A 83 73.553 1.505 7.358 1.00 0.95 C ATOM 1260 CG ARG A 83 74.543 2.399 8.106 1.00 1.53 C ATOM 1261 CD ARG A 83 73.824 3.657 8.601 1.00 1.50 C ATOM 1262 NE ARG A 83 73.077 3.220 9.814 1.00 1.75 N ATOM 1263 CZ ARG A 83 73.623 3.339 10.995 1.00 2.02 C ATOM 1264 NH1 ARG A 83 74.922 3.335 11.116 1.00 2.44 N ATOM 1265 NH2 ARG A 83 72.869 3.462 12.052 1.00 2.58 N ATOM 0 H ARG A 83 72.634 -0.450 6.154 1.00 0.84 H new ATOM 0 HA ARG A 83 74.455 -0.115 8.516 1.00 0.93 H new ATOM 0 HB2 ARG A 83 73.846 1.416 6.312 1.00 0.95 H new ATOM 0 HB3 ARG A 83 72.559 1.952 7.374 1.00 0.95 H new ATOM 0 HG2 ARG A 83 74.973 1.858 8.949 1.00 1.53 H new ATOM 0 HG3 ARG A 83 75.369 2.674 7.449 1.00 1.53 H new ATOM 0 HD2 ARG A 83 74.533 4.450 8.838 1.00 1.50 H new ATOM 0 HD3 ARG A 83 73.148 4.051 7.841 1.00 1.50 H new ATOM 0 HE ARG A 83 72.140 2.828 9.722 1.00 1.75 H new ATOM 0 HH11 ARG A 83 75.511 3.239 10.289 1.00 2.44 H new ATOM 0 HH12 ARG A 83 75.349 3.428 12.038 1.00 2.44 H new ATOM 0 HH21 ARG A 83 71.853 3.465 11.956 1.00 2.58 H new ATOM 0 HH22 ARG A 83 73.295 3.555 12.974 1.00 2.58 H new ATOM 1279 N CYS A 84 71.266 -0.443 8.720 1.00 0.81 N ATOM 1280 CA CYS A 84 70.155 -0.530 9.712 1.00 0.94 C ATOM 1281 C CYS A 84 70.178 -1.889 10.416 1.00 1.01 C ATOM 1282 O CYS A 84 69.723 -2.028 11.533 1.00 1.67 O ATOM 1283 CB CYS A 84 68.876 -0.373 8.888 1.00 1.20 C ATOM 1284 SG CYS A 84 67.448 -0.303 9.999 1.00 1.56 S ATOM 0 H CYS A 84 71.047 -0.798 7.789 1.00 0.81 H new ATOM 0 HA CYS A 84 70.235 0.230 10.489 1.00 0.94 H new ATOM 0 HB2 CYS A 84 68.927 0.535 8.286 1.00 1.20 H new ATOM 0 HB3 CYS A 84 68.771 -1.209 8.196 1.00 1.20 H new ATOM 0 HG CYS A 84 66.619 -1.260 9.701 1.00 1.56 H new ATOM 1290 N MET A 85 70.706 -2.894 9.770 1.00 1.25 N ATOM 1291 CA MET A 85 70.758 -4.243 10.403 1.00 1.43 C ATOM 1292 C MET A 85 72.012 -4.372 11.272 1.00 1.78 C ATOM 1293 O MET A 85 72.674 -5.391 11.274 1.00 2.66 O ATOM 1294 CB MET A 85 70.813 -5.226 9.234 1.00 1.49 C ATOM 1295 CG MET A 85 72.035 -4.919 8.365 1.00 1.71 C ATOM 1296 SD MET A 85 72.733 -6.466 7.737 1.00 1.93 S ATOM 1297 CE MET A 85 71.647 -6.639 6.299 1.00 1.59 C ATOM 0 H MET A 85 71.103 -2.839 8.832 1.00 1.25 H new ATOM 0 HA MET A 85 69.902 -4.428 11.052 1.00 1.43 H new ATOM 0 HB2 MET A 85 70.867 -6.249 9.607 1.00 1.49 H new ATOM 0 HB3 MET A 85 69.903 -5.151 8.639 1.00 1.49 H new ATOM 0 HG2 MET A 85 71.751 -4.272 7.535 1.00 1.71 H new ATOM 0 HG3 MET A 85 72.783 -4.380 8.947 1.00 1.71 H new ATOM 0 HE1 MET A 85 71.871 -7.573 5.784 1.00 1.59 H new ATOM 0 HE2 MET A 85 70.607 -6.645 6.627 1.00 1.59 H new ATOM 0 HE3 MET A 85 71.808 -5.803 5.619 1.00 1.59 H new