USER MOD reduce.3.24.130724 H: found=0, std=0, add=609, rem=0, adj=17 USER MOD reduce.3.24.130724 removed 610 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 69 SER OG : rot -124:sc= 1.38 USER MOD Set 1.2: A 71 THR OG1 : rot -65:sc= 0.437 USER MOD Set 2.1: A 45 MET CE :methyl 176:sc= -1.14 (180deg=-0.887) USER MOD Set 2.2: A 50 GLN : amide:sc= -4.27! C(o=-5.4!,f=-6.7!) USER MOD Set 2.3: A 84 SER OG : rot -42:sc= -0.0162 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 131:sc= -1.58! USER MOD Single : A 16 GLN : amide:sc= -0.0233 X(o=-0.023,f=-0.023) USER MOD Single : A 17 LYS NZ :NH3+ 160:sc= 0.577 (180deg=0.405) USER MOD Single : A 18 ASN : amide:sc= -0.315 K(o=-0.31,f=-1.3!) USER MOD Single : A 21 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 35 SER OG : rot -149:sc= 0.982 USER MOD Single : A 37 SER OG : rot 180:sc= 0.00565 USER MOD Single : A 38 THR OG1 : rot 180:sc= 0 USER MOD Single : A 39 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 43 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 47 MET CE :methyl -156:sc= -3.44! (180deg=-5.48!) USER MOD Single : A 51 ASN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 53 THR OG1 : rot 180:sc= -0.109 USER MOD Single : A 58 GLN :FLIP amide:sc= -1.04 F(o=-1.7!,f=-1) USER MOD Single : A 60 MET CE :methyl -156:sc= -0.316 (180deg=-0.985) USER MOD Single : A 80 MET CE :methyl -172:sc= -3.59! (180deg=-3.9!) USER MOD Single : A 81 MET CE :methyl -165:sc= -1.74 (180deg=-2.51!) USER MOD Single : A 85 MET CE :methyl 172:sc= -0.0112 (180deg=-0.151) USER MOD ----------------------------------------------------------------- ATOM 44 N TYR A 5 72.049 12.590 1.378 1.00 0.88 N ATOM 45 CA TYR A 5 72.212 11.290 0.664 1.00 0.86 C ATOM 46 C TYR A 5 71.555 11.364 -0.716 1.00 0.78 C ATOM 47 O TYR A 5 71.926 10.654 -1.630 1.00 0.79 O ATOM 48 CB TYR A 5 71.499 10.256 1.541 1.00 1.02 C ATOM 49 CG TYR A 5 71.843 10.496 2.993 1.00 1.22 C ATOM 50 CD1 TYR A 5 73.068 10.050 3.504 1.00 1.94 C ATOM 51 CD2 TYR A 5 70.939 11.165 3.826 1.00 1.64 C ATOM 52 CE1 TYR A 5 73.388 10.273 4.849 1.00 2.20 C ATOM 53 CE2 TYR A 5 71.258 11.388 5.170 1.00 1.80 C ATOM 54 CZ TYR A 5 72.483 10.941 5.683 1.00 1.77 C ATOM 55 OH TYR A 5 72.799 11.162 7.007 1.00 2.07 O ATOM 0 HA TYR A 5 73.260 11.035 0.508 1.00 0.86 H new ATOM 0 HB2 TYR A 5 70.421 10.324 1.397 1.00 1.02 H new ATOM 0 HB3 TYR A 5 71.797 9.249 1.248 1.00 1.02 H new ATOM 0 HD1 TYR A 5 73.766 9.534 2.861 1.00 1.94 H new ATOM 0 HD2 TYR A 5 69.995 11.509 3.431 1.00 1.64 H new ATOM 0 HE1 TYR A 5 74.333 9.930 5.243 1.00 2.20 H new ATOM 0 HE2 TYR A 5 70.560 11.905 5.812 1.00 1.80 H new ATOM 0 HH TYR A 5 72.063 11.639 7.444 1.00 2.07 H new ATOM 65 N LYS A 6 70.579 12.218 -0.873 1.00 0.89 N ATOM 66 CA LYS A 6 69.898 12.338 -2.194 1.00 1.01 C ATOM 67 C LYS A 6 70.915 12.691 -3.283 1.00 0.98 C ATOM 68 O LYS A 6 70.916 12.119 -4.354 1.00 1.00 O ATOM 69 CB LYS A 6 68.883 13.467 -2.017 1.00 1.28 C ATOM 70 CG LYS A 6 67.495 12.980 -2.437 1.00 1.60 C ATOM 71 CD LYS A 6 67.331 13.146 -3.950 1.00 2.04 C ATOM 72 CE LYS A 6 66.014 12.505 -4.395 1.00 2.60 C ATOM 73 NZ LYS A 6 66.215 12.179 -5.835 1.00 3.24 N ATOM 0 H LYS A 6 70.224 12.837 -0.144 1.00 0.89 H new ATOM 0 HA LYS A 6 69.420 11.407 -2.498 1.00 1.01 H new ATOM 0 HB2 LYS A 6 68.865 13.794 -0.977 1.00 1.28 H new ATOM 0 HB3 LYS A 6 69.174 14.329 -2.617 1.00 1.28 H new ATOM 0 HG2 LYS A 6 67.366 11.934 -2.159 1.00 1.60 H new ATOM 0 HG3 LYS A 6 66.725 13.547 -1.913 1.00 1.60 H new ATOM 0 HD2 LYS A 6 67.340 14.204 -4.213 1.00 2.04 H new ATOM 0 HD3 LYS A 6 68.168 12.681 -4.470 1.00 2.04 H new ATOM 0 HE2 LYS A 6 65.794 11.609 -3.814 1.00 2.60 H new ATOM 0 HE3 LYS A 6 65.176 13.188 -4.258 1.00 2.60 H new ATOM 0 HZ1 LYS A 6 65.354 11.735 -6.214 1.00 3.24 H new ATOM 0 HZ2 LYS A 6 66.416 13.052 -6.364 1.00 3.24 H new ATOM 0 HZ3 LYS A 6 67.015 11.522 -5.934 1.00 3.24 H new ATOM 87 N ALA A 7 71.783 13.628 -3.015 1.00 1.07 N ATOM 88 CA ALA A 7 72.800 14.013 -4.035 1.00 1.20 C ATOM 89 C ALA A 7 73.556 12.772 -4.519 1.00 1.08 C ATOM 90 O ALA A 7 73.974 12.691 -5.656 1.00 1.19 O ATOM 91 CB ALA A 7 73.747 14.970 -3.311 1.00 1.36 C ATOM 0 H ALA A 7 71.832 14.143 -2.136 1.00 1.07 H new ATOM 0 HA ALA A 7 72.350 14.475 -4.914 1.00 1.20 H new ATOM 0 HB1 ALA A 7 74.527 15.299 -3.998 1.00 1.36 H new ATOM 0 HB2 ALA A 7 73.188 15.835 -2.955 1.00 1.36 H new ATOM 0 HB3 ALA A 7 74.203 14.459 -2.463 1.00 1.36 H new ATOM 97 N ALA A 8 73.729 11.802 -3.662 1.00 0.95 N ATOM 98 CA ALA A 8 74.453 10.565 -4.071 1.00 0.96 C ATOM 99 C ALA A 8 73.549 9.691 -4.946 1.00 0.90 C ATOM 100 O ALA A 8 73.941 9.242 -6.005 1.00 1.01 O ATOM 101 CB ALA A 8 74.785 9.850 -2.761 1.00 0.98 C ATOM 0 H ALA A 8 73.400 11.813 -2.697 1.00 0.95 H new ATOM 0 HA ALA A 8 75.348 10.782 -4.655 1.00 0.96 H new ATOM 0 HB1 ALA A 8 75.321 8.926 -2.977 1.00 0.98 H new ATOM 0 HB2 ALA A 8 75.409 10.495 -2.142 1.00 0.98 H new ATOM 0 HB3 ALA A 8 73.862 9.619 -2.229 1.00 0.98 H new ATOM 107 N VAL A 9 72.344 9.448 -4.511 1.00 0.83 N ATOM 108 CA VAL A 9 71.415 8.606 -5.318 1.00 0.82 C ATOM 109 C VAL A 9 71.081 9.310 -6.636 1.00 0.97 C ATOM 110 O VAL A 9 70.729 8.683 -7.615 1.00 1.02 O ATOM 111 CB VAL A 9 70.163 8.459 -4.453 1.00 0.84 C ATOM 112 CG1 VAL A 9 69.068 7.753 -5.254 1.00 1.05 C ATOM 113 CG2 VAL A 9 70.498 7.630 -3.209 1.00 0.70 C ATOM 0 H VAL A 9 71.962 9.796 -3.632 1.00 0.83 H new ATOM 0 HA VAL A 9 71.846 7.638 -5.575 1.00 0.82 H new ATOM 0 HB VAL A 9 69.813 9.446 -4.151 1.00 0.84 H new ATOM 0 HG11 VAL A 9 68.176 7.648 -4.637 1.00 1.05 H new ATOM 0 HG12 VAL A 9 68.829 8.341 -6.140 1.00 1.05 H new ATOM 0 HG13 VAL A 9 69.418 6.766 -5.557 1.00 1.05 H new ATOM 0 HG21 VAL A 9 69.606 7.524 -2.591 1.00 0.70 H new ATOM 0 HG22 VAL A 9 70.848 6.643 -3.513 1.00 0.70 H new ATOM 0 HG23 VAL A 9 71.278 8.132 -2.637 1.00 0.70 H new ATOM 123 N GLU A 10 71.193 10.610 -6.667 1.00 1.12 N ATOM 124 CA GLU A 10 70.886 11.357 -7.921 1.00 1.32 C ATOM 125 C GLU A 10 71.985 11.111 -8.958 1.00 1.37 C ATOM 126 O GLU A 10 71.766 11.225 -10.148 1.00 1.56 O ATOM 127 CB GLU A 10 70.858 12.828 -7.508 1.00 1.51 C ATOM 128 CG GLU A 10 69.532 13.456 -7.942 1.00 1.80 C ATOM 129 CD GLU A 10 69.807 14.654 -8.853 1.00 2.02 C ATOM 130 OE1 GLU A 10 70.265 15.665 -8.346 1.00 2.61 O ATOM 131 OE2 GLU A 10 69.555 14.540 -10.041 1.00 2.28 O ATOM 0 H GLU A 10 71.484 11.188 -5.878 1.00 1.12 H new ATOM 0 HA GLU A 10 69.944 11.044 -8.372 1.00 1.32 H new ATOM 0 HB2 GLU A 10 70.978 12.916 -6.428 1.00 1.51 H new ATOM 0 HB3 GLU A 10 71.692 13.361 -7.965 1.00 1.51 H new ATOM 0 HG2 GLU A 10 68.923 12.719 -8.466 1.00 1.80 H new ATOM 0 HG3 GLU A 10 68.965 13.774 -7.067 1.00 1.80 H new ATOM 138 N GLN A 11 73.166 10.775 -8.514 1.00 1.29 N ATOM 139 CA GLN A 11 74.279 10.522 -9.472 1.00 1.45 C ATOM 140 C GLN A 11 74.285 9.051 -9.896 1.00 1.35 C ATOM 141 O GLN A 11 75.055 8.642 -10.742 1.00 1.53 O ATOM 142 CB GLN A 11 75.554 10.860 -8.697 1.00 1.61 C ATOM 143 CG GLN A 11 75.946 12.313 -8.971 1.00 2.13 C ATOM 144 CD GLN A 11 77.214 12.657 -8.185 1.00 2.44 C ATOM 145 OE1 GLN A 11 78.254 12.898 -8.764 1.00 2.96 O ATOM 146 NE2 GLN A 11 77.170 12.689 -6.881 1.00 2.71 N ATOM 0 H GLN A 11 73.408 10.665 -7.529 1.00 1.29 H new ATOM 0 HA GLN A 11 74.185 11.116 -10.381 1.00 1.45 H new ATOM 0 HB2 GLN A 11 75.394 10.710 -7.629 1.00 1.61 H new ATOM 0 HB3 GLN A 11 76.362 10.192 -8.995 1.00 1.61 H new ATOM 0 HG2 GLN A 11 76.115 12.460 -10.038 1.00 2.13 H new ATOM 0 HG3 GLN A 11 75.134 12.980 -8.682 1.00 2.13 H new ATOM 0 HE21 GLN A 11 76.296 12.487 -6.395 1.00 2.71 H new ATOM 0 HE22 GLN A 11 78.009 12.917 -6.348 1.00 2.71 H new ATOM 155 N LEU A 12 73.431 8.254 -9.316 1.00 1.18 N ATOM 156 CA LEU A 12 73.388 6.811 -9.689 1.00 1.21 C ATOM 157 C LEU A 12 73.309 6.665 -11.210 1.00 1.11 C ATOM 158 O LEU A 12 72.852 7.550 -11.905 1.00 1.25 O ATOM 159 CB LEU A 12 72.118 6.265 -9.034 1.00 1.32 C ATOM 160 CG LEU A 12 72.457 5.641 -7.678 1.00 1.38 C ATOM 161 CD1 LEU A 12 71.221 4.931 -7.123 1.00 1.49 C ATOM 162 CD2 LEU A 12 73.590 4.624 -7.847 1.00 1.68 C ATOM 0 H LEU A 12 72.762 8.538 -8.601 1.00 1.18 H new ATOM 0 HA LEU A 12 74.277 6.274 -9.360 1.00 1.21 H new ATOM 0 HB2 LEU A 12 71.392 7.068 -8.903 1.00 1.32 H new ATOM 0 HB3 LEU A 12 71.656 5.520 -9.682 1.00 1.32 H new ATOM 0 HG LEU A 12 72.772 6.425 -6.989 1.00 1.38 H new ATOM 0 HD11 LEU A 12 71.460 4.486 -6.157 1.00 1.49 H new ATOM 0 HD12 LEU A 12 70.412 5.651 -7.000 1.00 1.49 H new ATOM 0 HD13 LEU A 12 70.909 4.149 -7.816 1.00 1.49 H new ATOM 0 HD21 LEU A 12 73.829 4.182 -6.880 1.00 1.68 H new ATOM 0 HD22 LEU A 12 73.276 3.841 -8.537 1.00 1.68 H new ATOM 0 HD23 LEU A 12 74.472 5.125 -8.245 1.00 1.68 H new ATOM 174 N THR A 13 73.749 5.554 -11.733 1.00 1.05 N ATOM 175 CA THR A 13 73.697 5.354 -13.209 1.00 1.13 C ATOM 176 C THR A 13 72.530 4.433 -13.574 1.00 0.94 C ATOM 177 O THR A 13 72.101 3.615 -12.785 1.00 0.87 O ATOM 178 CB THR A 13 75.031 4.699 -13.567 1.00 1.38 C ATOM 179 OG1 THR A 13 75.389 3.772 -12.551 1.00 1.89 O ATOM 180 CG2 THR A 13 76.112 5.774 -13.685 1.00 1.68 C ATOM 0 H THR A 13 74.142 4.776 -11.203 1.00 1.05 H new ATOM 0 HA THR A 13 73.546 6.289 -13.749 1.00 1.13 H new ATOM 0 HB THR A 13 74.937 4.176 -14.519 1.00 1.38 H new ATOM 0 HG1 THR A 13 75.637 2.917 -12.961 1.00 1.89 H new ATOM 0 HG21 THR A 13 77.063 5.307 -13.940 1.00 1.68 H new ATOM 0 HG22 THR A 13 75.836 6.484 -14.465 1.00 1.68 H new ATOM 0 HG23 THR A 13 76.209 6.298 -12.734 1.00 1.68 H new ATOM 188 N GLU A 14 72.011 4.560 -14.764 1.00 0.94 N ATOM 189 CA GLU A 14 70.872 3.692 -15.178 1.00 0.90 C ATOM 190 C GLU A 14 71.140 2.240 -14.771 1.00 0.82 C ATOM 191 O GLU A 14 70.228 1.460 -14.582 1.00 0.82 O ATOM 192 CB GLU A 14 70.806 3.821 -16.699 1.00 1.05 C ATOM 193 CG GLU A 14 72.091 3.266 -17.316 1.00 2.10 C ATOM 194 CD GLU A 14 72.061 3.470 -18.832 1.00 2.64 C ATOM 195 OE1 GLU A 14 71.163 4.151 -19.301 1.00 2.91 O ATOM 196 OE2 GLU A 14 72.937 2.942 -19.499 1.00 3.31 O ATOM 0 H GLU A 14 72.326 5.227 -15.468 1.00 0.94 H new ATOM 0 HA GLU A 14 69.935 3.986 -14.705 1.00 0.90 H new ATOM 0 HB2 GLU A 14 69.942 3.279 -17.083 1.00 1.05 H new ATOM 0 HB3 GLU A 14 70.677 4.866 -16.980 1.00 1.05 H new ATOM 0 HG2 GLU A 14 72.959 3.769 -16.888 1.00 2.10 H new ATOM 0 HG3 GLU A 14 72.190 2.206 -17.083 1.00 2.10 H new ATOM 203 N GLU A 15 72.385 1.872 -14.636 1.00 0.92 N ATOM 204 CA GLU A 15 72.708 0.470 -14.243 1.00 1.01 C ATOM 205 C GLU A 15 72.426 0.261 -12.753 1.00 0.90 C ATOM 206 O GLU A 15 72.054 -0.814 -12.327 1.00 0.89 O ATOM 207 CB GLU A 15 74.201 0.312 -14.533 1.00 1.23 C ATOM 208 CG GLU A 15 74.391 -0.202 -15.962 1.00 1.92 C ATOM 209 CD GLU A 15 74.775 -1.684 -15.924 1.00 2.37 C ATOM 210 OE1 GLU A 15 75.873 -1.978 -15.484 1.00 2.90 O ATOM 211 OE2 GLU A 15 73.964 -2.496 -16.337 1.00 2.80 O ATOM 0 H GLU A 15 73.191 2.480 -14.780 1.00 0.92 H new ATOM 0 HA GLU A 15 72.108 -0.260 -14.786 1.00 1.01 H new ATOM 0 HB2 GLU A 15 74.710 1.268 -14.408 1.00 1.23 H new ATOM 0 HB3 GLU A 15 74.649 -0.383 -13.823 1.00 1.23 H new ATOM 0 HG2 GLU A 15 73.473 -0.068 -16.533 1.00 1.92 H new ATOM 0 HG3 GLU A 15 75.167 0.373 -16.467 1.00 1.92 H new ATOM 218 N GLN A 16 72.600 1.280 -11.955 1.00 0.89 N ATOM 219 CA GLN A 16 72.338 1.136 -10.495 1.00 0.87 C ATOM 220 C GLN A 16 70.832 1.147 -10.227 1.00 0.68 C ATOM 221 O GLN A 16 70.325 0.365 -9.448 1.00 0.67 O ATOM 222 CB GLN A 16 73.007 2.351 -9.849 1.00 0.97 C ATOM 223 CG GLN A 16 74.499 2.353 -10.184 1.00 1.77 C ATOM 224 CD GLN A 16 75.192 1.211 -9.437 1.00 2.15 C ATOM 225 OE1 GLN A 16 75.496 0.188 -10.017 1.00 2.42 O ATOM 226 NE2 GLN A 16 75.456 1.345 -8.166 1.00 2.61 N ATOM 0 H GLN A 16 72.912 2.205 -12.251 1.00 0.89 H new ATOM 0 HA GLN A 16 72.726 0.199 -10.096 1.00 0.87 H new ATOM 0 HB2 GLN A 16 72.542 3.269 -10.209 1.00 0.97 H new ATOM 0 HB3 GLN A 16 72.867 2.325 -8.768 1.00 0.97 H new ATOM 0 HG2 GLN A 16 74.641 2.238 -11.259 1.00 1.77 H new ATOM 0 HG3 GLN A 16 74.944 3.308 -9.904 1.00 1.77 H new ATOM 0 HE21 GLN A 16 75.200 2.204 -7.680 1.00 2.61 H new ATOM 0 HE22 GLN A 16 75.918 0.590 -7.659 1.00 2.61 H new ATOM 235 N LYS A 17 70.113 2.025 -10.871 1.00 0.63 N ATOM 236 CA LYS A 17 68.639 2.085 -10.654 1.00 0.62 C ATOM 237 C LYS A 17 67.965 0.852 -11.262 1.00 0.60 C ATOM 238 O LYS A 17 67.250 0.132 -10.595 1.00 0.66 O ATOM 239 CB LYS A 17 68.184 3.355 -11.373 1.00 0.74 C ATOM 240 CG LYS A 17 69.012 4.544 -10.881 1.00 1.21 C ATOM 241 CD LYS A 17 68.089 5.734 -10.618 1.00 1.31 C ATOM 242 CE LYS A 17 68.906 6.902 -10.060 1.00 1.43 C ATOM 243 NZ LYS A 17 68.441 7.059 -8.654 1.00 2.06 N ATOM 0 H LYS A 17 70.482 2.703 -11.538 1.00 0.63 H new ATOM 0 HA LYS A 17 68.377 2.100 -9.596 1.00 0.62 H new ATOM 0 HB2 LYS A 17 68.301 3.238 -12.450 1.00 0.74 H new ATOM 0 HB3 LYS A 17 67.125 3.533 -11.185 1.00 0.74 H new ATOM 0 HG2 LYS A 17 69.546 4.276 -9.970 1.00 1.21 H new ATOM 0 HG3 LYS A 17 69.763 4.810 -11.625 1.00 1.21 H new ATOM 0 HD2 LYS A 17 67.592 6.033 -11.541 1.00 1.31 H new ATOM 0 HD3 LYS A 17 67.308 5.453 -9.912 1.00 1.31 H new ATOM 0 HE2 LYS A 17 69.975 6.692 -10.101 1.00 1.43 H new ATOM 0 HE3 LYS A 17 68.738 7.812 -10.636 1.00 1.43 H new ATOM 0 HZ1 LYS A 17 69.155 7.583 -8.109 1.00 2.06 H new ATOM 0 HZ2 LYS A 17 67.543 7.583 -8.642 1.00 2.06 H new ATOM 0 HZ3 LYS A 17 68.300 6.121 -8.228 1.00 2.06 H new ATOM 257 N ASN A 18 68.189 0.602 -12.523 1.00 0.70 N ATOM 258 CA ASN A 18 67.561 -0.585 -13.170 1.00 0.85 C ATOM 259 C ASN A 18 67.675 -1.805 -12.252 1.00 0.70 C ATOM 260 O ASN A 18 66.778 -2.622 -12.174 1.00 0.66 O ATOM 261 CB ASN A 18 68.357 -0.805 -14.457 1.00 1.11 C ATOM 262 CG ASN A 18 67.690 -0.046 -15.605 1.00 1.68 C ATOM 263 OD1 ASN A 18 66.480 0.012 -15.689 1.00 2.15 O ATOM 264 ND2 ASN A 18 68.434 0.544 -16.501 1.00 2.13 N ATOM 0 H ASN A 18 68.779 1.168 -13.133 1.00 0.70 H new ATOM 0 HA ASN A 18 66.500 -0.434 -13.370 1.00 0.85 H new ATOM 0 HB2 ASN A 18 69.383 -0.460 -14.326 1.00 1.11 H new ATOM 0 HB3 ASN A 18 68.406 -1.869 -14.690 1.00 1.11 H new ATOM 0 HD21 ASN A 18 67.999 1.053 -17.270 1.00 2.13 H new ATOM 0 HD22 ASN A 18 69.451 0.496 -16.432 1.00 2.13 H new ATOM 271 N GLU A 19 68.771 -1.933 -11.556 1.00 0.76 N ATOM 272 CA GLU A 19 68.943 -3.098 -10.642 1.00 0.79 C ATOM 273 C GLU A 19 68.101 -2.905 -9.379 1.00 0.65 C ATOM 274 O GLU A 19 67.383 -3.791 -8.958 1.00 0.66 O ATOM 275 CB GLU A 19 70.432 -3.112 -10.295 1.00 0.98 C ATOM 276 CG GLU A 19 71.066 -4.404 -10.813 1.00 1.21 C ATOM 277 CD GLU A 19 72.586 -4.328 -10.645 1.00 1.82 C ATOM 278 OE1 GLU A 19 73.074 -3.255 -10.331 1.00 2.53 O ATOM 279 OE2 GLU A 19 73.234 -5.344 -10.831 1.00 2.44 O ATOM 0 H GLU A 19 69.555 -1.281 -11.581 1.00 0.76 H new ATOM 0 HA GLU A 19 68.622 -4.034 -11.099 1.00 0.79 H new ATOM 0 HB2 GLU A 19 70.927 -2.248 -10.739 1.00 0.98 H new ATOM 0 HB3 GLU A 19 70.565 -3.037 -9.216 1.00 0.98 H new ATOM 0 HG2 GLU A 19 70.671 -5.260 -10.266 1.00 1.21 H new ATOM 0 HG3 GLU A 19 70.812 -4.551 -11.863 1.00 1.21 H new ATOM 286 N PHE A 20 68.182 -1.753 -8.771 1.00 0.67 N ATOM 287 CA PHE A 20 67.385 -1.502 -7.536 1.00 0.75 C ATOM 288 C PHE A 20 65.890 -1.611 -7.844 1.00 0.66 C ATOM 289 O PHE A 20 65.190 -2.429 -7.284 1.00 0.79 O ATOM 290 CB PHE A 20 67.745 -0.077 -7.110 1.00 0.97 C ATOM 291 CG PHE A 20 69.249 0.089 -7.084 1.00 1.44 C ATOM 292 CD1 PHE A 20 70.081 -1.037 -7.007 1.00 2.24 C ATOM 293 CD2 PHE A 20 69.811 1.370 -7.138 1.00 2.35 C ATOM 294 CE1 PHE A 20 71.472 -0.879 -6.982 1.00 3.29 C ATOM 295 CE2 PHE A 20 71.202 1.527 -7.114 1.00 3.36 C ATOM 296 CZ PHE A 20 72.032 0.402 -7.036 1.00 3.69 C ATOM 0 H PHE A 20 68.766 -0.974 -9.076 1.00 0.67 H new ATOM 0 HA PHE A 20 67.602 -2.226 -6.750 1.00 0.75 H new ATOM 0 HB2 PHE A 20 67.303 0.641 -7.801 1.00 0.97 H new ATOM 0 HB3 PHE A 20 67.330 0.133 -6.124 1.00 0.97 H new ATOM 0 HD1 PHE A 20 69.649 -2.026 -6.967 1.00 2.24 H new ATOM 0 HD2 PHE A 20 69.171 2.238 -7.198 1.00 2.35 H new ATOM 0 HE1 PHE A 20 72.113 -1.746 -6.921 1.00 3.29 H new ATOM 0 HE2 PHE A 20 71.635 2.516 -7.156 1.00 3.36 H new ATOM 0 HZ PHE A 20 73.105 0.523 -7.018 1.00 3.69 H new ATOM 306 N LYS A 21 65.396 -0.793 -8.733 1.00 0.60 N ATOM 307 CA LYS A 21 63.947 -0.855 -9.075 1.00 0.65 C ATOM 308 C LYS A 21 63.525 -2.308 -9.302 1.00 0.57 C ATOM 309 O LYS A 21 62.478 -2.738 -8.858 1.00 0.57 O ATOM 310 CB LYS A 21 63.807 -0.043 -10.363 1.00 0.78 C ATOM 311 CG LYS A 21 63.429 1.399 -10.019 1.00 1.27 C ATOM 312 CD LYS A 21 64.630 2.315 -10.267 1.00 1.58 C ATOM 313 CE LYS A 21 64.245 3.762 -9.952 1.00 2.42 C ATOM 314 NZ LYS A 21 63.638 4.282 -11.209 1.00 2.88 N ATOM 0 H LYS A 21 65.932 -0.086 -9.236 1.00 0.60 H new ATOM 0 HA LYS A 21 63.315 -0.461 -8.279 1.00 0.65 H new ATOM 0 HB2 LYS A 21 64.743 -0.061 -10.921 1.00 0.78 H new ATOM 0 HB3 LYS A 21 63.045 -0.487 -11.004 1.00 0.78 H new ATOM 0 HG2 LYS A 21 62.583 1.719 -10.627 1.00 1.27 H new ATOM 0 HG3 LYS A 21 63.117 1.466 -8.977 1.00 1.27 H new ATOM 0 HD2 LYS A 21 65.470 2.007 -9.644 1.00 1.58 H new ATOM 0 HD3 LYS A 21 64.956 2.232 -11.304 1.00 1.58 H new ATOM 0 HE2 LYS A 21 63.539 3.811 -9.123 1.00 2.42 H new ATOM 0 HE3 LYS A 21 65.117 4.348 -9.663 1.00 2.42 H new ATOM 0 HZ1 LYS A 21 63.348 5.271 -11.071 1.00 2.88 H new ATOM 0 HZ2 LYS A 21 64.335 4.229 -11.979 1.00 2.88 H new ATOM 0 HZ3 LYS A 21 62.806 3.709 -11.456 1.00 2.88 H new ATOM 328 N ALA A 22 64.334 -3.071 -9.986 1.00 0.59 N ATOM 329 CA ALA A 22 63.980 -4.498 -10.236 1.00 0.62 C ATOM 330 C ALA A 22 64.140 -5.310 -8.948 1.00 0.50 C ATOM 331 O ALA A 22 63.203 -5.912 -8.463 1.00 0.50 O ATOM 332 CB ALA A 22 64.975 -4.974 -11.295 1.00 0.76 C ATOM 0 H ALA A 22 65.224 -2.768 -10.382 1.00 0.59 H new ATOM 0 HA ALA A 22 62.948 -4.618 -10.565 1.00 0.62 H new ATOM 0 HB1 ALA A 22 64.780 -6.019 -11.534 1.00 0.76 H new ATOM 0 HB2 ALA A 22 64.865 -4.369 -12.195 1.00 0.76 H new ATOM 0 HB3 ALA A 22 65.990 -4.873 -10.912 1.00 0.76 H new ATOM 338 N ALA A 23 65.319 -5.328 -8.391 1.00 0.50 N ATOM 339 CA ALA A 23 65.536 -6.097 -7.131 1.00 0.53 C ATOM 340 C ALA A 23 64.439 -5.760 -6.118 1.00 0.46 C ATOM 341 O ALA A 23 63.800 -6.634 -5.567 1.00 0.52 O ATOM 342 CB ALA A 23 66.900 -5.640 -6.619 1.00 0.64 C ATOM 0 H ALA A 23 66.141 -4.845 -8.752 1.00 0.50 H new ATOM 0 HA ALA A 23 65.503 -7.175 -7.290 1.00 0.53 H new ATOM 0 HB1 ALA A 23 67.134 -6.162 -5.691 1.00 0.64 H new ATOM 0 HB2 ALA A 23 67.663 -5.866 -7.364 1.00 0.64 H new ATOM 0 HB3 ALA A 23 66.879 -4.566 -6.436 1.00 0.64 H new ATOM 348 N PHE A 24 64.215 -4.497 -5.871 1.00 0.47 N ATOM 349 CA PHE A 24 63.156 -4.107 -4.897 1.00 0.57 C ATOM 350 C PHE A 24 61.868 -4.878 -5.193 1.00 0.48 C ATOM 351 O PHE A 24 61.296 -5.508 -4.326 1.00 0.51 O ATOM 352 CB PHE A 24 62.948 -2.608 -5.115 1.00 0.77 C ATOM 353 CG PHE A 24 61.816 -2.126 -4.241 1.00 0.90 C ATOM 354 CD1 PHE A 24 60.488 -2.351 -4.625 1.00 1.54 C ATOM 355 CD2 PHE A 24 62.093 -1.453 -3.045 1.00 1.58 C ATOM 356 CE1 PHE A 24 59.439 -1.903 -3.815 1.00 1.62 C ATOM 357 CE2 PHE A 24 61.044 -1.004 -2.234 1.00 1.72 C ATOM 358 CZ PHE A 24 59.716 -1.230 -2.618 1.00 1.25 C ATOM 0 H PHE A 24 64.718 -3.721 -6.301 1.00 0.47 H new ATOM 0 HA PHE A 24 63.434 -4.331 -3.867 1.00 0.57 H new ATOM 0 HB2 PHE A 24 63.862 -2.065 -4.877 1.00 0.77 H new ATOM 0 HB3 PHE A 24 62.723 -2.410 -6.163 1.00 0.77 H new ATOM 0 HD1 PHE A 24 60.274 -2.871 -5.547 1.00 1.54 H new ATOM 0 HD2 PHE A 24 63.117 -1.280 -2.748 1.00 1.58 H new ATOM 0 HE1 PHE A 24 58.415 -2.076 -4.113 1.00 1.62 H new ATOM 0 HE2 PHE A 24 61.259 -0.483 -1.312 1.00 1.72 H new ATOM 0 HZ PHE A 24 58.906 -0.886 -1.992 1.00 1.25 H new ATOM 368 N ASP A 25 61.411 -4.835 -6.414 1.00 0.45 N ATOM 369 CA ASP A 25 60.163 -5.569 -6.768 1.00 0.53 C ATOM 370 C ASP A 25 60.358 -7.070 -6.541 1.00 0.52 C ATOM 371 O ASP A 25 59.528 -7.731 -5.946 1.00 0.60 O ATOM 372 CB ASP A 25 59.937 -5.274 -8.252 1.00 0.66 C ATOM 373 CG ASP A 25 59.319 -3.883 -8.409 1.00 0.98 C ATOM 374 OD1 ASP A 25 59.102 -3.235 -7.398 1.00 1.52 O ATOM 375 OD2 ASP A 25 59.073 -3.490 -9.537 1.00 1.55 O ATOM 0 H ASP A 25 61.847 -4.324 -7.181 1.00 0.45 H new ATOM 0 HA ASP A 25 59.312 -5.261 -6.160 1.00 0.53 H new ATOM 0 HB2 ASP A 25 60.882 -5.326 -8.792 1.00 0.66 H new ATOM 0 HB3 ASP A 25 59.279 -6.027 -8.687 1.00 0.66 H new ATOM 380 N ILE A 26 61.449 -7.614 -7.004 1.00 0.50 N ATOM 381 CA ILE A 26 61.697 -9.072 -6.810 1.00 0.63 C ATOM 382 C ILE A 26 61.734 -9.406 -5.317 1.00 0.70 C ATOM 383 O ILE A 26 61.429 -10.509 -4.910 1.00 0.94 O ATOM 384 CB ILE A 26 63.062 -9.331 -7.447 1.00 0.68 C ATOM 385 CG1 ILE A 26 63.015 -8.951 -8.928 1.00 0.72 C ATOM 386 CG2 ILE A 26 63.416 -10.814 -7.313 1.00 0.94 C ATOM 387 CD1 ILE A 26 64.441 -8.755 -9.449 1.00 0.69 C ATOM 0 H ILE A 26 62.180 -7.113 -7.508 1.00 0.50 H new ATOM 0 HA ILE A 26 60.915 -9.686 -7.256 1.00 0.63 H new ATOM 0 HB ILE A 26 63.817 -8.730 -6.941 1.00 0.68 H new ATOM 0 HG12 ILE A 26 62.512 -9.731 -9.499 1.00 0.72 H new ATOM 0 HG13 ILE A 26 62.438 -8.036 -9.062 1.00 0.72 H new ATOM 0 HG21 ILE A 26 64.389 -10.998 -7.767 1.00 0.94 H new ATOM 0 HG22 ILE A 26 63.451 -11.086 -6.258 1.00 0.94 H new ATOM 0 HG23 ILE A 26 62.660 -11.416 -7.818 1.00 0.94 H new ATOM 0 HD11 ILE A 26 64.409 -8.484 -10.504 1.00 0.69 H new ATOM 0 HD12 ILE A 26 64.928 -7.960 -8.885 1.00 0.69 H new ATOM 0 HD13 ILE A 26 65.003 -9.681 -9.329 1.00 0.69 H new ATOM 399 N PHE A 27 62.107 -8.460 -4.499 1.00 0.61 N ATOM 400 CA PHE A 27 62.166 -8.722 -3.032 1.00 0.79 C ATOM 401 C PHE A 27 60.848 -8.317 -2.368 1.00 0.76 C ATOM 402 O PHE A 27 60.418 -8.919 -1.405 1.00 1.03 O ATOM 403 CB PHE A 27 63.315 -7.853 -2.523 1.00 0.91 C ATOM 404 CG PHE A 27 64.630 -8.497 -2.888 1.00 1.45 C ATOM 405 CD1 PHE A 27 64.940 -9.773 -2.405 1.00 2.23 C ATOM 406 CD2 PHE A 27 65.537 -7.820 -3.712 1.00 2.07 C ATOM 407 CE1 PHE A 27 66.159 -10.373 -2.743 1.00 3.07 C ATOM 408 CE2 PHE A 27 66.756 -8.420 -4.051 1.00 2.83 C ATOM 409 CZ PHE A 27 67.067 -9.697 -3.567 1.00 3.21 C ATOM 0 H PHE A 27 62.373 -7.517 -4.783 1.00 0.61 H new ATOM 0 HA PHE A 27 62.322 -9.777 -2.806 1.00 0.79 H new ATOM 0 HB2 PHE A 27 63.252 -6.856 -2.959 1.00 0.91 H new ATOM 0 HB3 PHE A 27 63.244 -7.733 -1.442 1.00 0.91 H new ATOM 0 HD1 PHE A 27 64.239 -10.295 -1.771 1.00 2.23 H new ATOM 0 HD2 PHE A 27 65.297 -6.836 -4.086 1.00 2.07 H new ATOM 0 HE1 PHE A 27 66.399 -11.357 -2.368 1.00 3.07 H new ATOM 0 HE2 PHE A 27 67.457 -7.898 -4.686 1.00 2.83 H new ATOM 0 HZ PHE A 27 68.007 -10.160 -3.829 1.00 3.21 H new ATOM 419 N VAL A 28 60.204 -7.302 -2.875 1.00 0.63 N ATOM 420 CA VAL A 28 58.915 -6.864 -2.271 1.00 0.65 C ATOM 421 C VAL A 28 57.793 -7.813 -2.705 1.00 0.65 C ATOM 422 O VAL A 28 56.694 -7.770 -2.187 1.00 0.74 O ATOM 423 CB VAL A 28 58.700 -5.439 -2.805 1.00 0.68 C ATOM 424 CG1 VAL A 28 57.215 -5.177 -3.081 1.00 1.10 C ATOM 425 CG2 VAL A 28 59.199 -4.445 -1.759 1.00 1.47 C ATOM 0 H VAL A 28 60.514 -6.758 -3.680 1.00 0.63 H new ATOM 0 HA VAL A 28 58.922 -6.878 -1.181 1.00 0.65 H new ATOM 0 HB VAL A 28 59.250 -5.324 -3.739 1.00 0.68 H new ATOM 0 HG11 VAL A 28 57.089 -4.162 -3.458 1.00 1.10 H new ATOM 0 HG12 VAL A 28 56.852 -5.888 -3.823 1.00 1.10 H new ATOM 0 HG13 VAL A 28 56.647 -5.295 -2.158 1.00 1.10 H new ATOM 0 HG21 VAL A 28 59.053 -3.428 -2.124 1.00 1.47 H new ATOM 0 HG22 VAL A 28 58.641 -4.581 -0.832 1.00 1.47 H new ATOM 0 HG23 VAL A 28 60.259 -4.615 -1.573 1.00 1.47 H new ATOM 435 N LEU A 29 58.065 -8.672 -3.644 1.00 0.92 N ATOM 436 CA LEU A 29 57.019 -9.628 -4.104 1.00 0.99 C ATOM 437 C LEU A 29 56.390 -10.332 -2.902 1.00 0.99 C ATOM 438 O LEU A 29 55.233 -10.701 -2.918 1.00 1.10 O ATOM 439 CB LEU A 29 57.767 -10.634 -4.973 1.00 1.43 C ATOM 440 CG LEU A 29 57.029 -10.818 -6.300 1.00 1.74 C ATOM 441 CD1 LEU A 29 56.795 -9.452 -6.947 1.00 2.11 C ATOM 442 CD2 LEU A 29 57.873 -11.687 -7.236 1.00 2.45 C ATOM 0 H LEU A 29 58.966 -8.755 -4.114 1.00 0.92 H new ATOM 0 HA LEU A 29 56.213 -9.134 -4.646 1.00 0.99 H new ATOM 0 HB2 LEU A 29 58.783 -10.286 -5.156 1.00 1.43 H new ATOM 0 HB3 LEU A 29 57.846 -11.589 -4.454 1.00 1.43 H new ATOM 0 HG LEU A 29 56.070 -11.303 -6.118 1.00 1.74 H new ATOM 0 HD11 LEU A 29 56.269 -9.583 -7.893 1.00 2.11 H new ATOM 0 HD12 LEU A 29 56.195 -8.832 -6.281 1.00 2.11 H new ATOM 0 HD13 LEU A 29 57.754 -8.967 -7.129 1.00 2.11 H new ATOM 0 HD21 LEU A 29 57.348 -11.819 -8.182 1.00 2.45 H new ATOM 0 HD22 LEU A 29 58.832 -11.201 -7.418 1.00 2.45 H new ATOM 0 HD23 LEU A 29 58.041 -12.661 -6.776 1.00 2.45 H new ATOM 454 N GLY A 30 57.150 -10.521 -1.857 1.00 1.16 N ATOM 455 CA GLY A 30 56.604 -11.200 -0.649 1.00 1.58 C ATOM 456 C GLY A 30 56.418 -10.171 0.467 1.00 1.39 C ATOM 457 O GLY A 30 55.977 -10.490 1.552 1.00 1.89 O ATOM 0 H GLY A 30 58.126 -10.234 -1.789 1.00 1.16 H new ATOM 0 HA2 GLY A 30 55.652 -11.675 -0.884 1.00 1.58 H new ATOM 0 HA3 GLY A 30 57.282 -11.989 -0.323 1.00 1.58 H new ATOM 461 N ALA A 31 56.755 -8.938 0.205 1.00 0.90 N ATOM 462 CA ALA A 31 56.602 -7.884 1.249 1.00 0.95 C ATOM 463 C ALA A 31 55.184 -7.911 1.824 1.00 1.15 C ATOM 464 O ALA A 31 54.393 -8.780 1.512 1.00 1.41 O ATOM 465 CB ALA A 31 56.860 -6.564 0.521 1.00 0.97 C ATOM 0 H ALA A 31 57.130 -8.614 -0.687 1.00 0.90 H new ATOM 0 HA ALA A 31 57.286 -8.029 2.085 1.00 0.95 H new ATOM 0 HB1 ALA A 31 56.766 -5.736 1.224 1.00 0.97 H new ATOM 0 HB2 ALA A 31 57.866 -6.571 0.101 1.00 0.97 H new ATOM 0 HB3 ALA A 31 56.133 -6.443 -0.282 1.00 0.97 H new ATOM 471 N GLU A 32 54.856 -6.967 2.663 1.00 1.35 N ATOM 472 CA GLU A 32 53.488 -6.942 3.259 1.00 1.90 C ATOM 473 C GLU A 32 52.684 -5.765 2.702 1.00 2.05 C ATOM 474 O GLU A 32 51.492 -5.860 2.489 1.00 2.79 O ATOM 475 CB GLU A 32 53.715 -6.775 4.762 1.00 2.37 C ATOM 476 CG GLU A 32 53.886 -8.151 5.407 1.00 2.44 C ATOM 477 CD GLU A 32 53.634 -8.045 6.912 1.00 2.83 C ATOM 478 OE1 GLU A 32 53.875 -6.982 7.459 1.00 3.24 O ATOM 479 OE2 GLU A 32 53.205 -9.029 7.491 1.00 3.29 O ATOM 0 H GLU A 32 55.474 -6.213 2.962 1.00 1.35 H new ATOM 0 HA GLU A 32 52.922 -7.845 3.029 1.00 1.90 H new ATOM 0 HB2 GLU A 32 54.600 -6.165 4.941 1.00 2.37 H new ATOM 0 HB3 GLU A 32 52.871 -6.253 5.212 1.00 2.37 H new ATOM 0 HG2 GLU A 32 53.191 -8.862 4.961 1.00 2.44 H new ATOM 0 HG3 GLU A 32 54.892 -8.529 5.222 1.00 2.44 H new ATOM 486 N ASP A 33 53.327 -4.655 2.465 1.00 1.80 N ATOM 487 CA ASP A 33 52.600 -3.473 1.921 1.00 2.11 C ATOM 488 C ASP A 33 53.404 -2.839 0.784 1.00 1.47 C ATOM 489 O ASP A 33 53.314 -1.654 0.530 1.00 1.80 O ATOM 490 CB ASP A 33 52.481 -2.505 3.099 1.00 3.12 C ATOM 491 CG ASP A 33 53.830 -2.403 3.813 1.00 3.68 C ATOM 492 OD1 ASP A 33 54.219 -3.370 4.445 1.00 4.12 O ATOM 493 OD2 ASP A 33 54.452 -1.357 3.715 1.00 4.09 O ATOM 0 H ASP A 33 54.325 -4.515 2.624 1.00 1.80 H new ATOM 0 HA ASP A 33 51.625 -3.738 1.512 1.00 2.11 H new ATOM 0 HB2 ASP A 33 52.169 -1.522 2.746 1.00 3.12 H new ATOM 0 HB3 ASP A 33 51.715 -2.852 3.793 1.00 3.12 H new ATOM 498 N GLY A 34 54.194 -3.621 0.099 1.00 1.10 N ATOM 499 CA GLY A 34 55.008 -3.065 -1.019 1.00 1.40 C ATOM 500 C GLY A 34 56.244 -2.367 -0.450 1.00 1.17 C ATOM 501 O GLY A 34 56.505 -1.215 -0.737 1.00 1.39 O ATOM 0 H GLY A 34 54.311 -4.621 0.265 1.00 1.10 H new ATOM 0 HA2 GLY A 34 55.308 -3.864 -1.697 1.00 1.40 H new ATOM 0 HA3 GLY A 34 54.414 -2.360 -1.600 1.00 1.40 H new ATOM 505 N SER A 35 57.007 -3.055 0.354 1.00 0.84 N ATOM 506 CA SER A 35 58.226 -2.432 0.940 1.00 0.70 C ATOM 507 C SER A 35 59.230 -3.517 1.333 1.00 0.67 C ATOM 508 O SER A 35 58.999 -4.693 1.129 1.00 0.80 O ATOM 509 CB SER A 35 57.735 -1.681 2.177 1.00 0.75 C ATOM 510 OG SER A 35 56.488 -2.223 2.591 1.00 1.04 O ATOM 0 H SER A 35 56.838 -4.022 0.630 1.00 0.84 H new ATOM 0 HA SER A 35 58.730 -1.768 0.238 1.00 0.70 H new ATOM 0 HB2 SER A 35 58.466 -1.765 2.981 1.00 0.75 H new ATOM 0 HB3 SER A 35 57.627 -0.620 1.953 1.00 0.75 H new ATOM 0 HG SER A 35 55.949 -1.520 3.011 1.00 1.04 H new ATOM 516 N ILE A 36 60.342 -3.135 1.891 1.00 0.69 N ATOM 517 CA ILE A 36 61.360 -4.152 2.290 1.00 0.78 C ATOM 518 C ILE A 36 61.898 -3.827 3.687 1.00 0.71 C ATOM 519 O ILE A 36 62.611 -2.862 3.879 1.00 0.98 O ATOM 520 CB ILE A 36 62.487 -4.068 1.243 1.00 1.00 C ATOM 521 CG1 ILE A 36 61.989 -3.397 -0.045 1.00 1.09 C ATOM 522 CG2 ILE A 36 62.965 -5.481 0.910 1.00 1.36 C ATOM 523 CD1 ILE A 36 63.055 -3.517 -1.136 1.00 1.22 C ATOM 0 H ILE A 36 60.593 -2.166 2.089 1.00 0.69 H new ATOM 0 HA ILE A 36 60.935 -5.155 2.327 1.00 0.78 H new ATOM 0 HB ILE A 36 63.302 -3.474 1.657 1.00 1.00 H new ATOM 0 HG12 ILE A 36 61.062 -3.866 -0.376 1.00 1.09 H new ATOM 0 HG13 ILE A 36 61.765 -2.347 0.144 1.00 1.09 H new ATOM 0 HG21 ILE A 36 63.763 -5.430 0.169 1.00 1.36 H new ATOM 0 HG22 ILE A 36 63.339 -5.961 1.814 1.00 1.36 H new ATOM 0 HG23 ILE A 36 62.134 -6.061 0.509 1.00 1.36 H new ATOM 0 HD11 ILE A 36 62.697 -3.040 -2.048 1.00 1.22 H new ATOM 0 HD12 ILE A 36 63.971 -3.027 -0.805 1.00 1.22 H new ATOM 0 HD13 ILE A 36 63.257 -4.570 -1.333 1.00 1.22 H new ATOM 535 N SER A 37 61.554 -4.621 4.665 1.00 0.87 N ATOM 536 CA SER A 37 62.038 -4.354 6.051 1.00 0.87 C ATOM 537 C SER A 37 63.450 -4.909 6.247 1.00 0.76 C ATOM 538 O SER A 37 63.846 -5.865 5.613 1.00 0.87 O ATOM 539 CB SER A 37 61.051 -5.078 6.965 1.00 1.12 C ATOM 540 OG SER A 37 59.732 -4.917 6.458 1.00 1.52 O ATOM 0 H SER A 37 60.959 -5.443 4.565 1.00 0.87 H new ATOM 0 HA SER A 37 62.088 -3.286 6.264 1.00 0.87 H new ATOM 0 HB2 SER A 37 61.303 -6.137 7.024 1.00 1.12 H new ATOM 0 HB3 SER A 37 61.115 -4.678 7.977 1.00 1.12 H new ATOM 0 HG SER A 37 59.098 -5.382 7.042 1.00 1.52 H new ATOM 546 N THR A 38 64.209 -4.316 7.127 1.00 0.71 N ATOM 547 CA THR A 38 65.599 -4.808 7.373 1.00 0.65 C ATOM 548 C THR A 38 65.625 -6.338 7.449 1.00 0.70 C ATOM 549 O THR A 38 66.638 -6.962 7.202 1.00 1.37 O ATOM 550 CB THR A 38 66.022 -4.198 8.714 1.00 0.76 C ATOM 551 OG1 THR A 38 67.060 -4.982 9.281 1.00 1.55 O ATOM 552 CG2 THR A 38 64.829 -4.165 9.669 1.00 1.00 C ATOM 0 H THR A 38 63.929 -3.511 7.688 1.00 0.71 H new ATOM 0 HA THR A 38 66.274 -4.520 6.567 1.00 0.65 H new ATOM 0 HB THR A 38 66.378 -3.181 8.550 1.00 0.76 H new ATOM 0 HG1 THR A 38 67.333 -4.593 10.138 1.00 1.55 H new ATOM 0 HG21 THR A 38 65.136 -3.730 10.620 1.00 1.00 H new ATOM 0 HG22 THR A 38 64.032 -3.561 9.235 1.00 1.00 H new ATOM 0 HG23 THR A 38 64.467 -5.180 9.834 1.00 1.00 H new ATOM 560 N LYS A 39 64.521 -6.952 7.782 1.00 0.60 N ATOM 561 CA LYS A 39 64.494 -8.441 7.865 1.00 0.66 C ATOM 562 C LYS A 39 64.284 -9.033 6.470 1.00 0.64 C ATOM 563 O LYS A 39 64.706 -10.135 6.179 1.00 0.87 O ATOM 564 CB LYS A 39 63.308 -8.768 8.773 1.00 0.81 C ATOM 565 CG LYS A 39 63.705 -9.870 9.757 1.00 1.42 C ATOM 566 CD LYS A 39 64.221 -11.086 8.985 1.00 1.58 C ATOM 567 CE LYS A 39 63.908 -12.360 9.772 1.00 2.15 C ATOM 568 NZ LYS A 39 64.747 -13.416 9.140 1.00 2.80 N ATOM 0 H LYS A 39 63.639 -6.488 8.000 1.00 0.60 H new ATOM 0 HA LYS A 39 65.425 -8.854 8.254 1.00 0.66 H new ATOM 0 HB2 LYS A 39 62.996 -7.876 9.316 1.00 0.81 H new ATOM 0 HB3 LYS A 39 62.456 -9.091 8.174 1.00 0.81 H new ATOM 0 HG2 LYS A 39 64.475 -9.505 10.437 1.00 1.42 H new ATOM 0 HG3 LYS A 39 62.848 -10.152 10.368 1.00 1.42 H new ATOM 0 HD2 LYS A 39 63.755 -11.130 8.001 1.00 1.58 H new ATOM 0 HD3 LYS A 39 65.296 -10.999 8.825 1.00 1.58 H new ATOM 0 HE2 LYS A 39 64.151 -12.242 10.828 1.00 2.15 H new ATOM 0 HE3 LYS A 39 62.849 -12.610 9.714 1.00 2.15 H new ATOM 0 HZ1 LYS A 39 64.588 -14.322 9.625 1.00 2.80 H new ATOM 0 HZ2 LYS A 39 64.489 -13.510 8.137 1.00 2.80 H new ATOM 0 HZ3 LYS A 39 65.751 -13.154 9.216 1.00 2.80 H new ATOM 582 N GLU A 40 63.634 -8.303 5.606 1.00 0.63 N ATOM 583 CA GLU A 40 63.391 -8.808 4.226 1.00 0.68 C ATOM 584 C GLU A 40 64.285 -8.045 3.235 1.00 0.66 C ATOM 585 O GLU A 40 64.571 -8.514 2.151 1.00 0.83 O ATOM 586 CB GLU A 40 61.889 -8.551 3.989 1.00 0.86 C ATOM 587 CG GLU A 40 61.636 -7.976 2.591 1.00 1.05 C ATOM 588 CD GLU A 40 62.116 -8.971 1.533 1.00 1.54 C ATOM 589 OE1 GLU A 40 62.106 -10.157 1.816 1.00 2.32 O ATOM 590 OE2 GLU A 40 62.484 -8.529 0.457 1.00 1.92 O ATOM 0 H GLU A 40 63.259 -7.374 5.798 1.00 0.63 H new ATOM 0 HA GLU A 40 63.632 -9.862 4.091 1.00 0.68 H new ATOM 0 HB2 GLU A 40 61.335 -9.483 4.107 1.00 0.86 H new ATOM 0 HB3 GLU A 40 61.513 -7.859 4.743 1.00 0.86 H new ATOM 0 HG2 GLU A 40 60.574 -7.772 2.457 1.00 1.05 H new ATOM 0 HG3 GLU A 40 62.160 -7.027 2.477 1.00 1.05 H new ATOM 597 N LEU A 41 64.732 -6.877 3.610 1.00 0.73 N ATOM 598 CA LEU A 41 65.613 -6.077 2.708 1.00 0.80 C ATOM 599 C LEU A 41 67.055 -6.587 2.787 1.00 0.72 C ATOM 600 O LEU A 41 67.800 -6.525 1.829 1.00 0.81 O ATOM 601 CB LEU A 41 65.518 -4.645 3.241 1.00 1.10 C ATOM 602 CG LEU A 41 66.317 -3.697 2.343 1.00 1.23 C ATOM 603 CD1 LEU A 41 67.814 -3.896 2.583 1.00 1.94 C ATOM 604 CD2 LEU A 41 65.993 -3.990 0.877 1.00 1.83 C ATOM 0 H LEU A 41 64.524 -6.439 4.508 1.00 0.73 H new ATOM 0 HA LEU A 41 65.312 -6.146 1.663 1.00 0.80 H new ATOM 0 HB2 LEU A 41 64.475 -4.331 3.278 1.00 1.10 H new ATOM 0 HB3 LEU A 41 65.901 -4.602 4.261 1.00 1.10 H new ATOM 0 HG LEU A 41 66.049 -2.667 2.578 1.00 1.23 H new ATOM 0 HD11 LEU A 41 68.378 -3.219 1.942 1.00 1.94 H new ATOM 0 HD12 LEU A 41 68.046 -3.685 3.627 1.00 1.94 H new ATOM 0 HD13 LEU A 41 68.086 -4.926 2.352 1.00 1.94 H new ATOM 0 HD21 LEU A 41 66.562 -3.315 0.237 1.00 1.83 H new ATOM 0 HD22 LEU A 41 66.259 -5.021 0.645 1.00 1.83 H new ATOM 0 HD23 LEU A 41 64.927 -3.843 0.703 1.00 1.83 H new ATOM 616 N GLY A 42 67.455 -7.083 3.925 1.00 0.72 N ATOM 617 CA GLY A 42 68.849 -7.590 4.072 1.00 0.91 C ATOM 618 C GLY A 42 69.201 -8.499 2.892 1.00 0.78 C ATOM 619 O GLY A 42 70.356 -8.690 2.569 1.00 0.84 O ATOM 0 H GLY A 42 66.876 -7.159 4.761 1.00 0.72 H new ATOM 0 HA2 GLY A 42 69.546 -6.753 4.118 1.00 0.91 H new ATOM 0 HA3 GLY A 42 68.948 -8.140 5.008 1.00 0.91 H new ATOM 623 N LYS A 43 68.216 -9.064 2.247 1.00 0.77 N ATOM 624 CA LYS A 43 68.502 -9.965 1.093 1.00 0.86 C ATOM 625 C LYS A 43 68.793 -9.148 -0.172 1.00 0.79 C ATOM 626 O LYS A 43 69.419 -9.625 -1.097 1.00 0.99 O ATOM 627 CB LYS A 43 67.229 -10.792 0.913 1.00 0.95 C ATOM 628 CG LYS A 43 67.596 -12.268 0.748 1.00 1.34 C ATOM 629 CD LYS A 43 66.652 -13.126 1.593 1.00 2.13 C ATOM 630 CE LYS A 43 67.392 -13.625 2.836 1.00 2.65 C ATOM 631 NZ LYS A 43 66.355 -14.319 3.648 1.00 2.98 N ATOM 0 H LYS A 43 67.228 -8.941 2.468 1.00 0.77 H new ATOM 0 HA LYS A 43 69.377 -10.590 1.270 1.00 0.86 H new ATOM 0 HB2 LYS A 43 66.575 -10.664 1.775 1.00 0.95 H new ATOM 0 HB3 LYS A 43 66.677 -10.444 0.040 1.00 0.95 H new ATOM 0 HG2 LYS A 43 67.526 -12.556 -0.301 1.00 1.34 H new ATOM 0 HG3 LYS A 43 68.629 -12.434 1.056 1.00 1.34 H new ATOM 0 HD2 LYS A 43 65.778 -12.544 1.886 1.00 2.13 H new ATOM 0 HD3 LYS A 43 66.290 -13.972 1.008 1.00 2.13 H new ATOM 0 HE2 LYS A 43 68.202 -14.303 2.568 1.00 2.65 H new ATOM 0 HE3 LYS A 43 67.838 -12.798 3.389 1.00 2.65 H new ATOM 0 HZ1 LYS A 43 66.786 -14.690 4.519 1.00 2.98 H new ATOM 0 HZ2 LYS A 43 65.600 -13.647 3.894 1.00 2.98 H new ATOM 0 HZ3 LYS A 43 65.953 -15.106 3.099 1.00 2.98 H new ATOM 645 N VAL A 44 68.341 -7.925 -0.222 1.00 0.72 N ATOM 646 CA VAL A 44 68.591 -7.089 -1.432 1.00 0.93 C ATOM 647 C VAL A 44 69.947 -6.387 -1.332 1.00 0.89 C ATOM 648 O VAL A 44 70.529 -5.998 -2.325 1.00 1.06 O ATOM 649 CB VAL A 44 67.460 -6.063 -1.443 1.00 1.18 C ATOM 650 CG1 VAL A 44 67.406 -5.379 -2.809 1.00 1.72 C ATOM 651 CG2 VAL A 44 66.129 -6.770 -1.173 1.00 1.80 C ATOM 0 H VAL A 44 67.811 -7.469 0.520 1.00 0.72 H new ATOM 0 HA VAL A 44 68.614 -7.687 -2.343 1.00 0.93 H new ATOM 0 HB VAL A 44 67.639 -5.316 -0.670 1.00 1.18 H new ATOM 0 HG11 VAL A 44 66.599 -4.647 -2.817 1.00 1.72 H new ATOM 0 HG12 VAL A 44 68.354 -4.877 -3.002 1.00 1.72 H new ATOM 0 HG13 VAL A 44 67.227 -6.125 -3.583 1.00 1.72 H new ATOM 0 HG21 VAL A 44 65.321 -6.039 -1.181 1.00 1.80 H new ATOM 0 HG22 VAL A 44 65.950 -7.517 -1.947 1.00 1.80 H new ATOM 0 HG23 VAL A 44 66.167 -7.258 -0.199 1.00 1.80 H new ATOM 661 N MET A 45 70.453 -6.219 -0.143 1.00 0.86 N ATOM 662 CA MET A 45 71.770 -5.535 0.016 1.00 1.06 C ATOM 663 C MET A 45 72.912 -6.483 -0.356 1.00 1.08 C ATOM 664 O MET A 45 73.862 -6.101 -1.011 1.00 1.14 O ATOM 665 CB MET A 45 71.843 -5.165 1.497 1.00 1.34 C ATOM 666 CG MET A 45 71.180 -3.805 1.719 1.00 1.88 C ATOM 667 SD MET A 45 72.358 -2.679 2.507 1.00 2.45 S ATOM 668 CE MET A 45 73.374 -2.355 1.045 1.00 3.35 C ATOM 0 H MET A 45 70.014 -6.524 0.726 1.00 0.86 H new ATOM 0 HA MET A 45 71.862 -4.662 -0.631 1.00 1.06 H new ATOM 0 HB2 MET A 45 71.345 -5.926 2.097 1.00 1.34 H new ATOM 0 HB3 MET A 45 72.883 -5.132 1.823 1.00 1.34 H new ATOM 0 HG2 MET A 45 70.847 -3.392 0.767 1.00 1.88 H new ATOM 0 HG3 MET A 45 70.295 -3.918 2.345 1.00 1.88 H new ATOM 0 HE1 MET A 45 74.136 -1.615 1.288 1.00 3.35 H new ATOM 0 HE2 MET A 45 73.855 -3.279 0.724 1.00 3.35 H new ATOM 0 HE3 MET A 45 72.744 -1.976 0.241 1.00 3.35 H new ATOM 678 N ARG A 46 72.830 -7.715 0.062 1.00 1.20 N ATOM 679 CA ARG A 46 73.914 -8.687 -0.261 1.00 1.46 C ATOM 680 C ARG A 46 73.793 -9.165 -1.712 1.00 1.52 C ATOM 681 O ARG A 46 74.726 -9.697 -2.280 1.00 1.73 O ATOM 682 CB ARG A 46 73.695 -9.848 0.710 1.00 1.74 C ATOM 683 CG ARG A 46 74.704 -10.961 0.423 1.00 1.93 C ATOM 684 CD ARG A 46 74.005 -12.318 0.522 1.00 2.48 C ATOM 685 NE ARG A 46 75.092 -13.323 0.374 1.00 2.64 N ATOM 686 CZ ARG A 46 74.996 -14.481 0.970 1.00 3.08 C ATOM 687 NH1 ARG A 46 74.184 -15.390 0.503 1.00 3.64 N ATOM 688 NH2 ARG A 46 75.709 -14.728 2.034 1.00 3.41 N ATOM 0 H ARG A 46 72.059 -8.092 0.614 1.00 1.20 H new ATOM 0 HA ARG A 46 74.907 -8.248 -0.161 1.00 1.46 H new ATOM 0 HB2 ARG A 46 73.805 -9.501 1.737 1.00 1.74 H new ATOM 0 HB3 ARG A 46 72.679 -10.231 0.610 1.00 1.74 H new ATOM 0 HG2 ARG A 46 75.132 -10.832 -0.571 1.00 1.93 H new ATOM 0 HG3 ARG A 46 75.529 -10.912 1.134 1.00 1.93 H new ATOM 0 HD2 ARG A 46 73.492 -12.429 1.477 1.00 2.48 H new ATOM 0 HD3 ARG A 46 73.253 -12.432 -0.259 1.00 2.48 H new ATOM 0 HE ARG A 46 75.912 -13.108 -0.193 1.00 2.64 H new ATOM 0 HH11 ARG A 46 73.624 -15.196 -0.327 1.00 3.64 H new ATOM 0 HH12 ARG A 46 74.109 -16.294 0.968 1.00 3.64 H new ATOM 0 HH21 ARG A 46 76.342 -14.017 2.401 1.00 3.41 H new ATOM 0 HH22 ARG A 46 75.634 -15.632 2.500 1.00 3.41 H new ATOM 702 N MET A 47 72.653 -8.977 -2.319 1.00 1.46 N ATOM 703 CA MET A 47 72.487 -9.426 -3.733 1.00 1.73 C ATOM 704 C MET A 47 73.179 -8.445 -4.687 1.00 1.75 C ATOM 705 O MET A 47 73.613 -8.811 -5.761 1.00 2.01 O ATOM 706 CB MET A 47 70.971 -9.447 -3.970 1.00 1.70 C ATOM 707 CG MET A 47 70.471 -8.038 -4.305 1.00 1.96 C ATOM 708 SD MET A 47 70.455 -7.815 -6.101 1.00 1.94 S ATOM 709 CE MET A 47 68.883 -8.654 -6.419 1.00 1.52 C ATOM 0 H MET A 47 71.834 -8.535 -1.902 1.00 1.46 H new ATOM 0 HA MET A 47 72.935 -10.403 -3.913 1.00 1.73 H new ATOM 0 HB2 MET A 47 70.732 -10.130 -4.786 1.00 1.70 H new ATOM 0 HB3 MET A 47 70.461 -9.821 -3.082 1.00 1.70 H new ATOM 0 HG2 MET A 47 69.470 -7.890 -3.900 1.00 1.96 H new ATOM 0 HG3 MET A 47 71.116 -7.292 -3.841 1.00 1.96 H new ATOM 0 HE1 MET A 47 68.864 -9.014 -7.448 1.00 1.52 H new ATOM 0 HE2 MET A 47 68.777 -9.498 -5.737 1.00 1.52 H new ATOM 0 HE3 MET A 47 68.060 -7.956 -6.264 1.00 1.52 H new ATOM 719 N LEU A 48 73.281 -7.202 -4.304 1.00 1.60 N ATOM 720 CA LEU A 48 73.941 -6.199 -5.190 1.00 1.69 C ATOM 721 C LEU A 48 75.465 -6.325 -5.095 1.00 1.68 C ATOM 722 O LEU A 48 76.080 -7.087 -5.816 1.00 1.99 O ATOM 723 CB LEU A 48 73.479 -4.841 -4.664 1.00 1.73 C ATOM 724 CG LEU A 48 71.973 -4.691 -4.887 1.00 1.75 C ATOM 725 CD1 LEU A 48 71.483 -3.403 -4.226 1.00 1.86 C ATOM 726 CD2 LEU A 48 71.684 -4.635 -6.388 1.00 2.15 C ATOM 0 H LEU A 48 72.936 -6.837 -3.416 1.00 1.60 H new ATOM 0 HA LEU A 48 73.679 -6.340 -6.239 1.00 1.69 H new ATOM 0 HB2 LEU A 48 73.710 -4.753 -3.603 1.00 1.73 H new ATOM 0 HB3 LEU A 48 74.014 -4.040 -5.175 1.00 1.73 H new ATOM 0 HG LEU A 48 71.455 -5.543 -4.447 1.00 1.75 H new ATOM 0 HD11 LEU A 48 70.410 -3.298 -4.386 1.00 1.86 H new ATOM 0 HD12 LEU A 48 71.689 -3.442 -3.156 1.00 1.86 H new ATOM 0 HD13 LEU A 48 72.001 -2.550 -4.664 1.00 1.86 H new ATOM 0 HD21 LEU A 48 70.611 -4.528 -6.548 1.00 2.15 H new ATOM 0 HD22 LEU A 48 72.203 -3.783 -6.827 1.00 2.15 H new ATOM 0 HD23 LEU A 48 72.032 -5.554 -6.860 1.00 2.15 H new ATOM 738 N GLY A 49 76.081 -5.585 -4.212 1.00 1.63 N ATOM 739 CA GLY A 49 77.563 -5.666 -4.080 1.00 1.87 C ATOM 740 C GLY A 49 77.975 -5.281 -2.657 1.00 1.54 C ATOM 741 O GLY A 49 79.068 -4.802 -2.425 1.00 1.53 O ATOM 0 H GLY A 49 75.623 -4.930 -3.578 1.00 1.63 H new ATOM 0 HA2 GLY A 49 77.903 -6.676 -4.307 1.00 1.87 H new ATOM 0 HA3 GLY A 49 78.039 -5.000 -4.800 1.00 1.87 H new ATOM 745 N GLN A 50 77.112 -5.487 -1.701 1.00 1.37 N ATOM 746 CA GLN A 50 77.458 -5.133 -0.293 1.00 1.17 C ATOM 747 C GLN A 50 77.536 -6.400 0.563 1.00 1.24 C ATOM 748 O GLN A 50 76.916 -7.400 0.263 1.00 1.75 O ATOM 749 CB GLN A 50 76.317 -4.234 0.183 1.00 1.29 C ATOM 750 CG GLN A 50 76.449 -2.851 -0.460 1.00 1.28 C ATOM 751 CD GLN A 50 75.946 -2.908 -1.903 1.00 1.41 C ATOM 752 OE1 GLN A 50 76.729 -2.948 -2.831 1.00 1.89 O ATOM 753 NE2 GLN A 50 74.661 -2.910 -2.134 1.00 1.85 N ATOM 0 H GLN A 50 76.182 -5.885 -1.832 1.00 1.37 H new ATOM 0 HA GLN A 50 78.425 -4.636 -0.217 1.00 1.17 H new ATOM 0 HB2 GLN A 50 75.357 -4.678 -0.080 1.00 1.29 H new ATOM 0 HB3 GLN A 50 76.340 -4.145 1.269 1.00 1.29 H new ATOM 0 HG2 GLN A 50 75.875 -2.118 0.107 1.00 1.28 H new ATOM 0 HG3 GLN A 50 77.489 -2.527 -0.439 1.00 1.28 H new ATOM 0 HE21 GLN A 50 74.003 -2.876 -1.355 1.00 1.85 H new ATOM 0 HE22 GLN A 50 74.315 -2.945 -3.093 1.00 1.85 H new ATOM 762 N ASN A 51 78.291 -6.366 1.627 1.00 1.18 N ATOM 763 CA ASN A 51 78.400 -7.574 2.496 1.00 1.29 C ATOM 764 C ASN A 51 78.491 -7.166 3.970 1.00 1.07 C ATOM 765 O ASN A 51 79.325 -7.665 4.700 1.00 1.45 O ATOM 766 CB ASN A 51 79.688 -8.266 2.052 1.00 1.96 C ATOM 767 CG ASN A 51 79.558 -9.775 2.269 1.00 2.61 C ATOM 768 OD1 ASN A 51 79.051 -10.481 1.419 1.00 3.07 O ATOM 769 ND2 ASN A 51 79.999 -10.304 3.379 1.00 3.29 N ATOM 0 H ASN A 51 78.835 -5.559 1.932 1.00 1.18 H new ATOM 0 HA ASN A 51 77.532 -8.226 2.403 1.00 1.29 H new ATOM 0 HB2 ASN A 51 79.883 -8.055 1.001 1.00 1.96 H new ATOM 0 HB3 ASN A 51 80.535 -7.878 2.618 1.00 1.96 H new ATOM 0 HD21 ASN A 51 79.918 -11.309 3.532 1.00 3.29 H new ATOM 0 HD22 ASN A 51 80.424 -9.712 4.092 1.00 3.29 H new ATOM 776 N PRO A 52 77.625 -6.270 4.360 1.00 1.47 N ATOM 777 CA PRO A 52 77.605 -5.791 5.765 1.00 2.11 C ATOM 778 C PRO A 52 77.062 -6.880 6.693 1.00 1.79 C ATOM 779 O PRO A 52 76.967 -8.033 6.323 1.00 2.07 O ATOM 780 CB PRO A 52 76.661 -4.592 5.721 1.00 2.97 C ATOM 781 CG PRO A 52 75.779 -4.839 4.538 1.00 2.97 C ATOM 782 CD PRO A 52 76.593 -5.624 3.541 1.00 2.03 C ATOM 0 HA PRO A 52 78.594 -5.535 6.145 1.00 2.11 H new ATOM 0 HB2 PRO A 52 76.078 -4.514 6.639 1.00 2.97 H new ATOM 0 HB3 PRO A 52 77.213 -3.658 5.614 1.00 2.97 H new ATOM 0 HG2 PRO A 52 74.887 -5.393 4.830 1.00 2.97 H new ATOM 0 HG3 PRO A 52 75.441 -3.897 4.105 1.00 2.97 H new ATOM 0 HD2 PRO A 52 75.982 -6.358 3.016 1.00 2.03 H new ATOM 0 HD3 PRO A 52 77.032 -4.975 2.784 1.00 2.03 H new ATOM 790 N THR A 53 76.704 -6.524 7.897 1.00 1.42 N ATOM 791 CA THR A 53 76.167 -7.542 8.846 1.00 1.16 C ATOM 792 C THR A 53 74.655 -7.360 9.016 1.00 0.98 C ATOM 793 O THR A 53 74.097 -6.371 8.584 1.00 0.92 O ATOM 794 CB THR A 53 76.891 -7.278 10.167 1.00 1.19 C ATOM 795 OG1 THR A 53 77.411 -5.957 10.166 1.00 1.40 O ATOM 796 CG2 THR A 53 78.037 -8.279 10.331 1.00 1.36 C ATOM 0 H THR A 53 76.760 -5.574 8.264 1.00 1.42 H new ATOM 0 HA THR A 53 76.327 -8.560 8.492 1.00 1.16 H new ATOM 0 HB THR A 53 76.190 -7.391 10.994 1.00 1.19 H new ATOM 0 HG1 THR A 53 77.874 -5.787 11.013 1.00 1.40 H new ATOM 0 HG21 THR A 53 78.553 -8.091 11.273 1.00 1.36 H new ATOM 0 HG22 THR A 53 77.637 -9.293 10.333 1.00 1.36 H new ATOM 0 HG23 THR A 53 78.739 -8.167 9.504 1.00 1.36 H new ATOM 804 N PRO A 54 74.045 -8.326 9.644 1.00 0.99 N ATOM 805 CA PRO A 54 72.581 -8.280 9.877 1.00 1.04 C ATOM 806 C PRO A 54 72.247 -7.269 10.978 1.00 0.93 C ATOM 807 O PRO A 54 71.195 -6.661 10.978 1.00 0.94 O ATOM 808 CB PRO A 54 72.246 -9.700 10.324 1.00 1.19 C ATOM 809 CG PRO A 54 73.519 -10.240 10.894 1.00 1.18 C ATOM 810 CD PRO A 54 74.656 -9.544 10.190 1.00 1.10 C ATOM 0 HA PRO A 54 72.016 -7.970 8.998 1.00 1.04 H new ATOM 0 HB2 PRO A 54 71.449 -9.701 11.068 1.00 1.19 H new ATOM 0 HB3 PRO A 54 71.901 -10.306 9.486 1.00 1.19 H new ATOM 0 HG2 PRO A 54 73.565 -10.061 11.968 1.00 1.18 H new ATOM 0 HG3 PRO A 54 73.579 -11.318 10.747 1.00 1.18 H new ATOM 0 HD2 PRO A 54 75.467 -9.309 10.879 1.00 1.10 H new ATOM 0 HD3 PRO A 54 75.078 -10.167 9.401 1.00 1.10 H new ATOM 818 N GLU A 55 73.136 -7.084 11.916 1.00 0.98 N ATOM 819 CA GLU A 55 72.870 -6.112 13.014 1.00 1.08 C ATOM 820 C GLU A 55 73.009 -4.678 12.496 1.00 0.97 C ATOM 821 O GLU A 55 72.211 -3.816 12.805 1.00 1.01 O ATOM 822 CB GLU A 55 73.935 -6.407 14.071 1.00 1.28 C ATOM 823 CG GLU A 55 73.943 -5.290 15.116 1.00 2.15 C ATOM 824 CD GLU A 55 75.191 -5.420 15.991 1.00 2.57 C ATOM 825 OE1 GLU A 55 75.604 -6.542 16.236 1.00 3.14 O ATOM 826 OE2 GLU A 55 75.712 -4.396 16.400 1.00 2.81 O ATOM 0 H GLU A 55 74.035 -7.564 11.969 1.00 0.98 H new ATOM 0 HA GLU A 55 71.861 -6.208 13.415 1.00 1.08 H new ATOM 0 HB2 GLU A 55 73.732 -7.365 14.549 1.00 1.28 H new ATOM 0 HB3 GLU A 55 74.916 -6.487 13.602 1.00 1.28 H new ATOM 0 HG2 GLU A 55 73.930 -4.317 14.624 1.00 2.15 H new ATOM 0 HG3 GLU A 55 73.046 -5.348 15.732 1.00 2.15 H new ATOM 833 N GLU A 56 74.018 -4.417 11.709 1.00 0.92 N ATOM 834 CA GLU A 56 74.205 -3.038 11.172 1.00 0.94 C ATOM 835 C GLU A 56 72.917 -2.558 10.497 1.00 0.84 C ATOM 836 O GLU A 56 72.547 -1.404 10.594 1.00 0.94 O ATOM 837 CB GLU A 56 75.333 -3.162 10.147 1.00 1.06 C ATOM 838 CG GLU A 56 76.346 -2.035 10.365 1.00 1.60 C ATOM 839 CD GLU A 56 77.595 -2.298 9.522 1.00 1.83 C ATOM 840 OE1 GLU A 56 77.679 -3.368 8.941 1.00 2.50 O ATOM 841 OE2 GLU A 56 78.446 -1.426 9.472 1.00 2.08 O ATOM 0 H GLU A 56 74.719 -5.097 11.415 1.00 0.92 H new ATOM 0 HA GLU A 56 74.443 -2.317 11.954 1.00 0.94 H new ATOM 0 HB2 GLU A 56 75.823 -4.130 10.245 1.00 1.06 H new ATOM 0 HB3 GLU A 56 74.928 -3.111 9.136 1.00 1.06 H new ATOM 0 HG2 GLU A 56 75.904 -1.077 10.090 1.00 1.60 H new ATOM 0 HG3 GLU A 56 76.613 -1.972 11.420 1.00 1.60 H new ATOM 848 N LEU A 57 72.231 -3.435 9.816 1.00 0.73 N ATOM 849 CA LEU A 57 70.967 -3.030 9.135 1.00 0.78 C ATOM 850 C LEU A 57 69.999 -2.403 10.144 1.00 0.80 C ATOM 851 O LEU A 57 69.668 -1.237 10.057 1.00 0.89 O ATOM 852 CB LEU A 57 70.388 -4.329 8.573 1.00 0.85 C ATOM 853 CG LEU A 57 71.186 -4.751 7.337 1.00 0.84 C ATOM 854 CD1 LEU A 57 71.236 -6.277 7.260 1.00 1.30 C ATOM 855 CD2 LEU A 57 70.507 -4.202 6.080 1.00 1.10 C ATOM 0 H LEU A 57 72.491 -4.415 9.701 1.00 0.73 H new ATOM 0 HA LEU A 57 71.137 -2.288 8.355 1.00 0.78 H new ATOM 0 HB2 LEU A 57 70.426 -5.113 9.329 1.00 0.85 H new ATOM 0 HB3 LEU A 57 69.339 -4.189 8.311 1.00 0.85 H new ATOM 0 HG LEU A 57 72.199 -4.356 7.407 1.00 0.84 H new ATOM 0 HD11 LEU A 57 71.804 -6.578 6.380 1.00 1.30 H new ATOM 0 HD12 LEU A 57 71.717 -6.671 8.155 1.00 1.30 H new ATOM 0 HD13 LEU A 57 70.222 -6.671 7.190 1.00 1.30 H new ATOM 0 HD21 LEU A 57 71.075 -4.502 5.199 1.00 1.10 H new ATOM 0 HD22 LEU A 57 69.494 -4.598 6.011 1.00 1.10 H new ATOM 0 HD23 LEU A 57 70.468 -3.114 6.133 1.00 1.10 H new ATOM 867 N GLN A 58 69.543 -3.167 11.098 1.00 0.81 N ATOM 868 CA GLN A 58 68.597 -2.615 12.111 1.00 0.95 C ATOM 869 C GLN A 58 69.044 -1.218 12.550 1.00 0.99 C ATOM 870 O GLN A 58 68.241 -0.320 12.714 1.00 1.13 O ATOM 871 CB GLN A 58 68.662 -3.592 13.286 1.00 1.09 C ATOM 872 CG GLN A 58 67.806 -3.066 14.439 1.00 1.25 C ATOM 873 CD GLN A 58 66.356 -2.918 13.974 1.00 1.41 C ATOM 874 OE1 GLN A 58 66.027 -1.914 13.208 1.00 1.97 O flip ATOM 875 NE2 GLN A 58 65.513 -3.726 14.312 1.00 1.74 N flip ATOM 0 H GLN A 58 69.784 -4.150 11.221 1.00 0.81 H new ATOM 0 HA GLN A 58 67.585 -2.514 11.718 1.00 0.95 H new ATOM 0 HB2 GLN A 58 68.307 -4.575 12.975 1.00 1.09 H new ATOM 0 HB3 GLN A 58 69.694 -3.715 13.613 1.00 1.09 H new ATOM 0 HG2 GLN A 58 67.859 -3.750 15.286 1.00 1.25 H new ATOM 0 HG3 GLN A 58 68.189 -2.104 14.781 1.00 1.25 H new ATOM 0 HE21 GLN A 58 65.770 -4.511 14.911 1.00 1.74 H new ATOM 0 HE22 GLN A 58 64.549 -3.619 13.997 1.00 1.74 H new ATOM 884 N GLU A 59 70.320 -1.028 12.743 1.00 0.97 N ATOM 885 CA GLU A 59 70.819 0.310 13.172 1.00 1.14 C ATOM 886 C GLU A 59 70.907 1.253 11.970 1.00 1.11 C ATOM 887 O GLU A 59 70.811 2.457 12.104 1.00 1.18 O ATOM 888 CB GLU A 59 72.211 0.047 13.747 1.00 1.23 C ATOM 889 CG GLU A 59 72.095 -0.291 15.234 1.00 1.60 C ATOM 890 CD GLU A 59 73.492 -0.504 15.819 1.00 2.19 C ATOM 891 OE1 GLU A 59 74.283 0.423 15.766 1.00 2.75 O ATOM 892 OE2 GLU A 59 73.749 -1.592 16.310 1.00 2.77 O ATOM 0 H GLU A 59 71.039 -1.741 12.622 1.00 0.97 H new ATOM 0 HA GLU A 59 70.159 0.783 13.899 1.00 1.14 H new ATOM 0 HB2 GLU A 59 72.687 -0.775 13.213 1.00 1.23 H new ATOM 0 HB3 GLU A 59 72.844 0.924 13.611 1.00 1.23 H new ATOM 0 HG2 GLU A 59 71.587 0.516 15.763 1.00 1.60 H new ATOM 0 HG3 GLU A 59 71.492 -1.189 15.368 1.00 1.60 H new ATOM 899 N MET A 60 71.089 0.716 10.795 1.00 1.11 N ATOM 900 CA MET A 60 71.185 1.581 9.585 1.00 1.18 C ATOM 901 C MET A 60 69.841 2.261 9.310 1.00 1.13 C ATOM 902 O MET A 60 69.755 3.469 9.211 1.00 1.25 O ATOM 903 CB MET A 60 71.550 0.629 8.444 1.00 1.22 C ATOM 904 CG MET A 60 73.068 0.456 8.391 1.00 1.62 C ATOM 905 SD MET A 60 73.824 1.962 7.728 1.00 1.82 S ATOM 906 CE MET A 60 73.371 1.700 5.996 1.00 2.02 C ATOM 0 H MET A 60 71.175 -0.285 10.620 1.00 1.11 H new ATOM 0 HA MET A 60 71.922 2.375 9.704 1.00 1.18 H new ATOM 0 HB2 MET A 60 71.068 -0.337 8.594 1.00 1.22 H new ATOM 0 HB3 MET A 60 71.185 1.024 7.496 1.00 1.22 H new ATOM 0 HG2 MET A 60 73.456 0.250 9.388 1.00 1.62 H new ATOM 0 HG3 MET A 60 73.326 -0.399 7.766 1.00 1.62 H new ATOM 0 HE1 MET A 60 74.062 2.244 5.353 1.00 2.02 H new ATOM 0 HE2 MET A 60 73.421 0.636 5.764 1.00 2.02 H new ATOM 0 HE3 MET A 60 72.357 2.061 5.827 1.00 2.02 H new ATOM 916 N ILE A 61 68.790 1.496 9.182 1.00 1.04 N ATOM 917 CA ILE A 61 67.456 2.105 8.912 1.00 1.11 C ATOM 918 C ILE A 61 67.007 2.949 10.111 1.00 1.23 C ATOM 919 O ILE A 61 66.487 4.035 9.955 1.00 1.40 O ATOM 920 CB ILE A 61 66.516 0.917 8.689 1.00 1.13 C ATOM 921 CG1 ILE A 61 66.663 0.423 7.248 1.00 1.17 C ATOM 922 CG2 ILE A 61 65.065 1.345 8.928 1.00 1.36 C ATOM 923 CD1 ILE A 61 67.162 -1.020 7.251 1.00 1.14 C ATOM 0 H ILE A 61 68.798 0.478 9.253 1.00 1.04 H new ATOM 0 HA ILE A 61 67.469 2.773 8.051 1.00 1.11 H new ATOM 0 HB ILE A 61 66.775 0.120 9.386 1.00 1.13 H new ATOM 0 HG12 ILE A 61 65.705 0.486 6.731 1.00 1.17 H new ATOM 0 HG13 ILE A 61 67.361 1.059 6.704 1.00 1.17 H new ATOM 0 HG21 ILE A 61 64.403 0.494 8.767 1.00 1.36 H new ATOM 0 HG22 ILE A 61 64.955 1.702 9.952 1.00 1.36 H new ATOM 0 HG23 ILE A 61 64.803 2.144 8.235 1.00 1.36 H new ATOM 0 HD11 ILE A 61 67.266 -1.371 6.224 1.00 1.14 H new ATOM 0 HD12 ILE A 61 68.129 -1.070 7.752 1.00 1.14 H new ATOM 0 HD13 ILE A 61 66.447 -1.651 7.779 1.00 1.14 H new ATOM 935 N ASP A 62 67.204 2.457 11.304 1.00 1.23 N ATOM 936 CA ASP A 62 66.785 3.233 12.508 1.00 1.43 C ATOM 937 C ASP A 62 67.432 4.620 12.501 1.00 1.48 C ATOM 938 O ASP A 62 66.978 5.529 13.168 1.00 1.67 O ATOM 939 CB ASP A 62 67.285 2.417 13.700 1.00 1.51 C ATOM 940 CG ASP A 62 66.754 3.031 14.997 1.00 1.54 C ATOM 941 OD1 ASP A 62 67.140 4.149 15.300 1.00 2.13 O ATOM 942 OD2 ASP A 62 65.971 2.376 15.663 1.00 1.79 O ATOM 0 H ASP A 62 67.636 1.553 11.498 1.00 1.23 H new ATOM 0 HA ASP A 62 65.706 3.387 12.541 1.00 1.43 H new ATOM 0 HB2 ASP A 62 66.952 1.383 13.612 1.00 1.51 H new ATOM 0 HB3 ASP A 62 68.375 2.401 13.712 1.00 1.51 H new ATOM 947 N GLU A 63 68.490 4.791 11.758 1.00 1.41 N ATOM 948 CA GLU A 63 69.162 6.123 11.719 1.00 1.52 C ATOM 949 C GLU A 63 68.699 6.917 10.495 1.00 1.47 C ATOM 950 O GLU A 63 68.264 8.047 10.605 1.00 1.80 O ATOM 951 CB GLU A 63 70.656 5.809 11.623 1.00 1.55 C ATOM 952 CG GLU A 63 71.405 6.554 12.729 1.00 2.11 C ATOM 953 CD GLU A 63 71.904 7.898 12.194 1.00 2.26 C ATOM 954 OE1 GLU A 63 71.091 8.798 12.060 1.00 2.32 O ATOM 955 OE2 GLU A 63 73.090 8.003 11.927 1.00 2.93 O ATOM 0 H GLU A 63 68.918 4.070 11.178 1.00 1.41 H new ATOM 0 HA GLU A 63 68.928 6.729 12.594 1.00 1.52 H new ATOM 0 HB2 GLU A 63 70.820 4.736 11.717 1.00 1.55 H new ATOM 0 HB3 GLU A 63 71.039 6.105 10.646 1.00 1.55 H new ATOM 0 HG2 GLU A 63 70.748 6.713 13.584 1.00 2.11 H new ATOM 0 HG3 GLU A 63 72.246 5.956 13.080 1.00 2.11 H new ATOM 962 N VAL A 64 68.791 6.339 9.330 1.00 1.33 N ATOM 963 CA VAL A 64 68.359 7.066 8.101 1.00 1.29 C ATOM 964 C VAL A 64 66.832 7.163 8.051 1.00 1.21 C ATOM 965 O VAL A 64 66.278 8.157 7.626 1.00 1.50 O ATOM 966 CB VAL A 64 68.883 6.224 6.938 1.00 1.40 C ATOM 967 CG1 VAL A 64 70.351 5.872 7.184 1.00 1.69 C ATOM 968 CG2 VAL A 64 68.061 4.938 6.835 1.00 1.31 C ATOM 0 H VAL A 64 69.146 5.396 9.174 1.00 1.33 H new ATOM 0 HA VAL A 64 68.741 8.086 8.069 1.00 1.29 H new ATOM 0 HB VAL A 64 68.797 6.789 6.010 1.00 1.40 H new ATOM 0 HG11 VAL A 64 70.725 5.271 6.355 1.00 1.69 H new ATOM 0 HG12 VAL A 64 70.937 6.788 7.262 1.00 1.69 H new ATOM 0 HG13 VAL A 64 70.439 5.305 8.111 1.00 1.69 H new ATOM 0 HG21 VAL A 64 68.432 4.335 6.006 1.00 1.31 H new ATOM 0 HG22 VAL A 64 68.150 4.374 7.763 1.00 1.31 H new ATOM 0 HG23 VAL A 64 67.014 5.188 6.662 1.00 1.31 H new ATOM 978 N ASP A 65 66.147 6.139 8.481 1.00 1.27 N ATOM 979 CA ASP A 65 64.656 6.177 8.456 1.00 1.38 C ATOM 980 C ASP A 65 64.141 7.353 9.290 1.00 2.07 C ATOM 981 O ASP A 65 64.315 7.396 10.491 1.00 2.61 O ATOM 982 CB ASP A 65 64.214 4.849 9.072 1.00 1.38 C ATOM 983 CG ASP A 65 62.733 4.613 8.772 1.00 1.66 C ATOM 984 OD1 ASP A 65 62.102 5.520 8.257 1.00 1.47 O ATOM 985 OD2 ASP A 65 62.255 3.528 9.065 1.00 2.59 O ATOM 0 H ASP A 65 66.554 5.279 8.848 1.00 1.27 H new ATOM 0 HA ASP A 65 64.265 6.309 7.447 1.00 1.38 H new ATOM 0 HB2 ASP A 65 64.812 4.032 8.668 1.00 1.38 H new ATOM 0 HB3 ASP A 65 64.380 4.863 10.149 1.00 1.38 H new ATOM 990 N GLU A 66 63.511 8.307 8.662 1.00 2.65 N ATOM 991 CA GLU A 66 62.987 9.479 9.418 1.00 3.74 C ATOM 992 C GLU A 66 61.835 9.048 10.332 1.00 4.00 C ATOM 993 O GLU A 66 61.407 9.786 11.197 1.00 4.93 O ATOM 994 CB GLU A 66 62.489 10.451 8.347 1.00 4.58 C ATOM 995 CG GLU A 66 61.177 9.933 7.751 1.00 5.25 C ATOM 996 CD GLU A 66 60.680 10.910 6.684 1.00 6.17 C ATOM 997 OE1 GLU A 66 61.380 11.092 5.703 1.00 6.61 O ATOM 998 OE2 GLU A 66 59.607 11.461 6.868 1.00 6.67 O ATOM 0 H GLU A 66 63.336 8.326 7.657 1.00 2.65 H new ATOM 0 HA GLU A 66 63.746 9.931 10.057 1.00 3.74 H new ATOM 0 HB2 GLU A 66 62.337 11.439 8.781 1.00 4.58 H new ATOM 0 HB3 GLU A 66 63.238 10.559 7.563 1.00 4.58 H new ATOM 0 HG2 GLU A 66 61.329 8.946 7.313 1.00 5.25 H new ATOM 0 HG3 GLU A 66 60.428 9.822 8.535 1.00 5.25 H new ATOM 1005 N ASP A 67 61.332 7.858 10.146 1.00 3.32 N ATOM 1006 CA ASP A 67 60.208 7.380 11.002 1.00 3.69 C ATOM 1007 C ASP A 67 60.632 6.130 11.780 1.00 3.25 C ATOM 1008 O ASP A 67 59.857 5.555 12.519 1.00 3.49 O ATOM 1009 CB ASP A 67 59.076 7.047 10.028 1.00 3.68 C ATOM 1010 CG ASP A 67 59.640 6.282 8.828 1.00 3.08 C ATOM 1011 OD1 ASP A 67 60.140 6.926 7.921 1.00 3.83 O ATOM 1012 OD2 ASP A 67 59.562 5.065 8.838 1.00 2.33 O ATOM 0 H ASP A 67 61.650 7.196 9.438 1.00 3.32 H new ATOM 0 HA ASP A 67 59.904 8.126 11.737 1.00 3.69 H new ATOM 0 HB2 ASP A 67 58.316 6.448 10.529 1.00 3.68 H new ATOM 0 HB3 ASP A 67 58.590 7.963 9.692 1.00 3.68 H new ATOM 1017 N GLY A 68 61.856 5.706 11.622 1.00 2.98 N ATOM 1018 CA GLY A 68 62.329 4.496 12.351 1.00 3.17 C ATOM 1019 C GLY A 68 61.256 3.408 12.286 1.00 2.42 C ATOM 1020 O GLY A 68 60.942 2.773 13.273 1.00 3.05 O ATOM 0 H GLY A 68 62.550 6.147 11.018 1.00 2.98 H new ATOM 0 HA2 GLY A 68 63.257 4.133 11.910 1.00 3.17 H new ATOM 0 HA3 GLY A 68 62.546 4.746 13.390 1.00 3.17 H new ATOM 1024 N SER A 69 60.692 3.188 11.131 1.00 1.46 N ATOM 1025 CA SER A 69 59.639 2.140 11.003 1.00 1.52 C ATOM 1026 C SER A 69 60.278 0.769 10.771 1.00 1.64 C ATOM 1027 O SER A 69 59.643 -0.256 10.920 1.00 2.49 O ATOM 1028 CB SER A 69 58.812 2.559 9.787 1.00 2.44 C ATOM 1029 OG SER A 69 59.675 2.738 8.672 1.00 2.71 O ATOM 0 H SER A 69 60.914 3.688 10.270 1.00 1.46 H new ATOM 0 HA SER A 69 59.030 2.055 11.903 1.00 1.52 H new ATOM 0 HB2 SER A 69 58.062 1.800 9.563 1.00 2.44 H new ATOM 0 HB3 SER A 69 58.276 3.484 9.999 1.00 2.44 H new ATOM 0 HG SER A 69 59.560 3.642 8.311 1.00 2.71 H new ATOM 1035 N GLY A 70 61.531 0.741 10.406 1.00 1.28 N ATOM 1036 CA GLY A 70 62.205 -0.566 10.163 1.00 1.43 C ATOM 1037 C GLY A 70 61.871 -1.058 8.754 1.00 1.29 C ATOM 1038 O GLY A 70 62.217 -2.159 8.373 1.00 1.59 O ATOM 0 H GLY A 70 62.116 1.565 10.266 1.00 1.28 H new ATOM 0 HA2 GLY A 70 63.284 -0.457 10.276 1.00 1.43 H new ATOM 0 HA3 GLY A 70 61.879 -1.298 10.902 1.00 1.43 H new ATOM 1042 N THR A 71 61.201 -0.252 7.976 1.00 0.89 N ATOM 1043 CA THR A 71 60.847 -0.677 6.591 1.00 0.79 C ATOM 1044 C THR A 71 61.551 0.216 5.566 1.00 0.76 C ATOM 1045 O THR A 71 61.807 1.378 5.813 1.00 0.83 O ATOM 1046 CB THR A 71 59.329 -0.510 6.499 1.00 0.84 C ATOM 1047 OG1 THR A 71 59.001 0.868 6.593 1.00 1.45 O ATOM 1048 CG2 THR A 71 58.659 -1.277 7.641 1.00 1.08 C ATOM 0 H THR A 71 60.884 0.681 8.239 1.00 0.89 H new ATOM 0 HA THR A 71 61.156 -1.701 6.382 1.00 0.79 H new ATOM 0 HB THR A 71 58.976 -0.904 5.546 1.00 0.84 H new ATOM 0 HG1 THR A 71 59.245 1.202 7.481 1.00 1.45 H new ATOM 0 HG21 THR A 71 57.578 -1.157 7.574 1.00 1.08 H new ATOM 0 HG22 THR A 71 58.912 -2.335 7.567 1.00 1.08 H new ATOM 0 HG23 THR A 71 59.009 -0.886 8.596 1.00 1.08 H new ATOM 1056 N VAL A 72 61.868 -0.319 4.419 1.00 0.73 N ATOM 1057 CA VAL A 72 62.557 0.500 3.381 1.00 0.77 C ATOM 1058 C VAL A 72 61.821 0.393 2.043 1.00 0.80 C ATOM 1059 O VAL A 72 61.619 -0.685 1.519 1.00 1.00 O ATOM 1060 CB VAL A 72 63.959 -0.100 3.270 1.00 0.85 C ATOM 1061 CG1 VAL A 72 64.620 0.377 1.976 1.00 1.13 C ATOM 1062 CG2 VAL A 72 64.802 0.349 4.466 1.00 1.13 C ATOM 0 H VAL A 72 61.680 -1.286 4.156 1.00 0.73 H new ATOM 0 HA VAL A 72 62.584 1.558 3.643 1.00 0.77 H new ATOM 0 HB VAL A 72 63.887 -1.188 3.261 1.00 0.85 H new ATOM 0 HG11 VAL A 72 65.619 -0.052 1.898 1.00 1.13 H new ATOM 0 HG12 VAL A 72 64.021 0.058 1.123 1.00 1.13 H new ATOM 0 HG13 VAL A 72 64.691 1.465 1.983 1.00 1.13 H new ATOM 0 HG21 VAL A 72 65.802 -0.078 4.388 1.00 1.13 H new ATOM 0 HG22 VAL A 72 64.872 1.437 4.474 1.00 1.13 H new ATOM 0 HG23 VAL A 72 64.333 0.009 5.390 1.00 1.13 H new ATOM 1072 N ASP A 73 61.422 1.503 1.487 1.00 0.77 N ATOM 1073 CA ASP A 73 60.704 1.469 0.182 1.00 0.83 C ATOM 1074 C ASP A 73 61.643 1.917 -0.942 1.00 0.87 C ATOM 1075 O ASP A 73 62.845 1.968 -0.774 1.00 0.87 O ATOM 1076 CB ASP A 73 59.548 2.455 0.340 1.00 0.85 C ATOM 1077 CG ASP A 73 60.092 3.804 0.817 1.00 1.80 C ATOM 1078 OD1 ASP A 73 61.282 4.025 0.670 1.00 2.57 O ATOM 1079 OD2 ASP A 73 59.308 4.593 1.318 1.00 2.47 O ATOM 0 H ASP A 73 61.562 2.434 1.880 1.00 0.77 H new ATOM 0 HA ASP A 73 60.352 0.469 -0.073 1.00 0.83 H new ATOM 0 HB2 ASP A 73 59.026 2.576 -0.609 1.00 0.85 H new ATOM 0 HB3 ASP A 73 58.822 2.070 1.056 1.00 0.85 H new ATOM 1084 N PHE A 74 61.105 2.246 -2.084 1.00 0.94 N ATOM 1085 CA PHE A 74 61.973 2.695 -3.211 1.00 0.98 C ATOM 1086 C PHE A 74 62.824 3.891 -2.771 1.00 0.86 C ATOM 1087 O PHE A 74 63.854 4.180 -3.348 1.00 0.83 O ATOM 1088 CB PHE A 74 61.002 3.101 -4.323 1.00 1.12 C ATOM 1089 CG PHE A 74 61.718 3.966 -5.334 1.00 1.33 C ATOM 1090 CD1 PHE A 74 62.910 3.520 -5.916 1.00 1.97 C ATOM 1091 CD2 PHE A 74 61.191 5.215 -5.686 1.00 2.22 C ATOM 1092 CE1 PHE A 74 63.576 4.323 -6.851 1.00 2.84 C ATOM 1093 CE2 PHE A 74 61.857 6.017 -6.619 1.00 3.01 C ATOM 1094 CZ PHE A 74 63.049 5.572 -7.202 1.00 3.18 C ATOM 0 H PHE A 74 60.105 2.224 -2.286 1.00 0.94 H new ATOM 0 HA PHE A 74 62.662 1.918 -3.541 1.00 0.98 H new ATOM 0 HB2 PHE A 74 60.600 2.213 -4.810 1.00 1.12 H new ATOM 0 HB3 PHE A 74 60.156 3.643 -3.900 1.00 1.12 H new ATOM 0 HD1 PHE A 74 63.316 2.557 -5.644 1.00 1.97 H new ATOM 0 HD2 PHE A 74 60.271 5.559 -5.237 1.00 2.22 H new ATOM 0 HE1 PHE A 74 64.496 3.979 -7.301 1.00 2.84 H new ATOM 0 HE2 PHE A 74 61.451 6.980 -6.890 1.00 3.01 H new ATOM 0 HZ PHE A 74 63.562 6.192 -7.922 1.00 3.18 H new ATOM 1104 N ASP A 75 62.399 4.588 -1.753 1.00 0.83 N ATOM 1105 CA ASP A 75 63.178 5.766 -1.276 1.00 0.76 C ATOM 1106 C ASP A 75 64.211 5.333 -0.233 1.00 0.69 C ATOM 1107 O ASP A 75 65.402 5.389 -0.462 1.00 0.65 O ATOM 1108 CB ASP A 75 62.140 6.694 -0.646 1.00 0.81 C ATOM 1109 CG ASP A 75 60.999 6.933 -1.639 1.00 0.99 C ATOM 1110 OD1 ASP A 75 61.170 7.758 -2.521 1.00 1.49 O ATOM 1111 OD2 ASP A 75 59.974 6.285 -1.499 1.00 1.57 O ATOM 0 H ASP A 75 61.545 4.393 -1.230 1.00 0.83 H new ATOM 0 HA ASP A 75 63.727 6.252 -2.083 1.00 0.76 H new ATOM 0 HB2 ASP A 75 61.751 6.252 0.272 1.00 0.81 H new ATOM 0 HB3 ASP A 75 62.603 7.642 -0.372 1.00 0.81 H new ATOM 1116 N GLU A 76 63.762 4.902 0.914 1.00 0.77 N ATOM 1117 CA GLU A 76 64.715 4.465 1.974 1.00 0.78 C ATOM 1118 C GLU A 76 65.761 3.513 1.388 1.00 0.70 C ATOM 1119 O GLU A 76 66.859 3.395 1.893 1.00 0.70 O ATOM 1120 CB GLU A 76 63.850 3.743 3.007 1.00 0.95 C ATOM 1121 CG GLU A 76 62.677 4.640 3.408 1.00 1.51 C ATOM 1122 CD GLU A 76 62.447 4.536 4.917 1.00 1.45 C ATOM 1123 OE1 GLU A 76 62.773 3.503 5.476 1.00 1.94 O ATOM 1124 OE2 GLU A 76 61.946 5.492 5.486 1.00 1.72 O ATOM 0 H GLU A 76 62.775 4.833 1.163 1.00 0.77 H new ATOM 0 HA GLU A 76 65.260 5.302 2.411 1.00 0.78 H new ATOM 0 HB2 GLU A 76 63.479 2.805 2.594 1.00 0.95 H new ATOM 0 HB3 GLU A 76 64.446 3.492 3.884 1.00 0.95 H new ATOM 0 HG2 GLU A 76 62.885 5.674 3.132 1.00 1.51 H new ATOM 0 HG3 GLU A 76 61.777 4.341 2.871 1.00 1.51 H new ATOM 1131 N PHE A 77 65.427 2.830 0.328 1.00 0.72 N ATOM 1132 CA PHE A 77 66.399 1.883 -0.289 1.00 0.73 C ATOM 1133 C PHE A 77 67.560 2.649 -0.931 1.00 0.67 C ATOM 1134 O PHE A 77 68.715 2.350 -0.701 1.00 0.69 O ATOM 1135 CB PHE A 77 65.600 1.134 -1.355 1.00 0.84 C ATOM 1136 CG PHE A 77 66.459 0.049 -1.957 1.00 0.97 C ATOM 1137 CD1 PHE A 77 67.313 -0.703 -1.141 1.00 1.32 C ATOM 1138 CD2 PHE A 77 66.402 -0.207 -3.333 1.00 1.83 C ATOM 1139 CE1 PHE A 77 68.110 -1.709 -1.700 1.00 1.48 C ATOM 1140 CE2 PHE A 77 67.199 -1.213 -3.892 1.00 2.03 C ATOM 1141 CZ PHE A 77 68.052 -1.964 -3.075 1.00 1.46 C ATOM 0 H PHE A 77 64.522 2.887 -0.138 1.00 0.72 H new ATOM 0 HA PHE A 77 66.836 1.208 0.447 1.00 0.73 H new ATOM 0 HB2 PHE A 77 64.703 0.700 -0.914 1.00 0.84 H new ATOM 0 HB3 PHE A 77 65.271 1.825 -2.131 1.00 0.84 H new ATOM 0 HD1 PHE A 77 67.357 -0.507 -0.080 1.00 1.32 H new ATOM 0 HD2 PHE A 77 65.743 0.372 -3.963 1.00 1.83 H new ATOM 0 HE1 PHE A 77 68.769 -2.288 -1.071 1.00 1.48 H new ATOM 0 HE2 PHE A 77 67.156 -1.410 -4.953 1.00 2.03 H new ATOM 0 HZ PHE A 77 68.666 -2.741 -3.506 1.00 1.46 H new ATOM 1151 N LEU A 78 67.264 3.629 -1.738 1.00 0.66 N ATOM 1152 CA LEU A 78 68.353 4.407 -2.397 1.00 0.68 C ATOM 1153 C LEU A 78 69.090 5.269 -1.368 1.00 0.62 C ATOM 1154 O LEU A 78 70.273 5.515 -1.484 1.00 0.64 O ATOM 1155 CB LEU A 78 67.644 5.286 -3.428 1.00 0.77 C ATOM 1156 CG LEU A 78 66.916 4.401 -4.441 1.00 0.96 C ATOM 1157 CD1 LEU A 78 66.464 5.252 -5.629 1.00 1.55 C ATOM 1158 CD2 LEU A 78 67.863 3.304 -4.932 1.00 1.41 C ATOM 0 H LEU A 78 66.316 3.926 -1.971 1.00 0.66 H new ATOM 0 HA LEU A 78 69.100 3.761 -2.858 1.00 0.68 H new ATOM 0 HB2 LEU A 78 66.934 5.947 -2.931 1.00 0.77 H new ATOM 0 HB3 LEU A 78 68.368 5.921 -3.939 1.00 0.77 H new ATOM 0 HG LEU A 78 66.046 3.946 -3.967 1.00 0.96 H new ATOM 0 HD11 LEU A 78 65.945 4.622 -6.351 1.00 1.55 H new ATOM 0 HD12 LEU A 78 65.790 6.035 -5.280 1.00 1.55 H new ATOM 0 HD13 LEU A 78 67.334 5.706 -6.103 1.00 1.55 H new ATOM 0 HD21 LEU A 78 67.345 2.673 -5.654 1.00 1.41 H new ATOM 0 HD22 LEU A 78 68.733 3.759 -5.406 1.00 1.41 H new ATOM 0 HD23 LEU A 78 68.187 2.697 -4.086 1.00 1.41 H new ATOM 1170 N VAL A 79 68.399 5.727 -0.361 1.00 0.59 N ATOM 1171 CA VAL A 79 69.061 6.572 0.674 1.00 0.61 C ATOM 1172 C VAL A 79 69.792 5.687 1.686 1.00 0.63 C ATOM 1173 O VAL A 79 70.866 6.014 2.151 1.00 0.68 O ATOM 1174 CB VAL A 79 67.919 7.331 1.349 1.00 0.63 C ATOM 1175 CG1 VAL A 79 68.444 8.053 2.591 1.00 0.73 C ATOM 1176 CG2 VAL A 79 67.342 8.355 0.370 1.00 0.70 C ATOM 0 H VAL A 79 67.405 5.553 -0.210 1.00 0.59 H new ATOM 0 HA VAL A 79 69.804 7.247 0.248 1.00 0.61 H new ATOM 0 HB VAL A 79 67.140 6.627 1.643 1.00 0.63 H new ATOM 0 HG11 VAL A 79 67.628 8.593 3.070 1.00 0.73 H new ATOM 0 HG12 VAL A 79 68.856 7.324 3.289 1.00 0.73 H new ATOM 0 HG13 VAL A 79 69.224 8.757 2.300 1.00 0.73 H new ATOM 0 HG21 VAL A 79 66.527 8.898 0.849 1.00 0.70 H new ATOM 0 HG22 VAL A 79 68.122 9.057 0.076 1.00 0.70 H new ATOM 0 HG23 VAL A 79 66.965 7.841 -0.514 1.00 0.70 H new ATOM 1186 N MET A 80 69.218 4.568 2.030 1.00 0.65 N ATOM 1187 CA MET A 80 69.877 3.660 3.012 1.00 0.72 C ATOM 1188 C MET A 80 71.165 3.077 2.423 1.00 0.71 C ATOM 1189 O MET A 80 72.148 2.899 3.114 1.00 0.76 O ATOM 1190 CB MET A 80 68.859 2.549 3.271 1.00 0.80 C ATOM 1191 CG MET A 80 69.440 1.545 4.267 1.00 1.12 C ATOM 1192 SD MET A 80 68.736 -0.093 3.956 1.00 2.17 S ATOM 1193 CE MET A 80 70.294 -1.015 3.953 1.00 2.77 C ATOM 0 H MET A 80 68.320 4.242 1.673 1.00 0.65 H new ATOM 0 HA MET A 80 70.156 4.182 3.927 1.00 0.72 H new ATOM 0 HB2 MET A 80 67.935 2.973 3.663 1.00 0.80 H new ATOM 0 HB3 MET A 80 68.608 2.047 2.337 1.00 0.80 H new ATOM 0 HG2 MET A 80 70.525 1.510 4.172 1.00 1.12 H new ATOM 0 HG3 MET A 80 69.219 1.860 5.287 1.00 1.12 H new ATOM 0 HE1 MET A 80 70.109 -2.041 3.635 1.00 2.77 H new ATOM 0 HE2 MET A 80 70.995 -0.543 3.265 1.00 2.77 H new ATOM 0 HE3 MET A 80 70.718 -1.017 4.957 1.00 2.77 H new ATOM 1203 N MET A 81 71.170 2.775 1.153 1.00 0.69 N ATOM 1204 CA MET A 81 72.399 2.200 0.535 1.00 0.74 C ATOM 1205 C MET A 81 73.489 3.272 0.431 1.00 0.75 C ATOM 1206 O MET A 81 74.657 3.005 0.637 1.00 0.82 O ATOM 1207 CB MET A 81 71.962 1.704 -0.849 1.00 0.73 C ATOM 1208 CG MET A 81 72.019 2.846 -1.870 1.00 0.89 C ATOM 1209 SD MET A 81 71.394 2.265 -3.469 1.00 1.41 S ATOM 1210 CE MET A 81 72.102 0.599 -3.413 1.00 1.21 C ATOM 0 H MET A 81 70.381 2.901 0.519 1.00 0.69 H new ATOM 0 HA MET A 81 72.823 1.389 1.127 1.00 0.74 H new ATOM 0 HB2 MET A 81 72.609 0.888 -1.171 1.00 0.73 H new ATOM 0 HB3 MET A 81 70.949 1.306 -0.796 1.00 0.73 H new ATOM 0 HG2 MET A 81 71.424 3.690 -1.520 1.00 0.89 H new ATOM 0 HG3 MET A 81 73.044 3.201 -1.976 1.00 0.89 H new ATOM 0 HE1 MET A 81 72.067 0.155 -4.408 1.00 1.21 H new ATOM 0 HE2 MET A 81 73.137 0.655 -3.076 1.00 1.21 H new ATOM 0 HE3 MET A 81 71.528 -0.017 -2.721 1.00 1.21 H new ATOM 1220 N VAL A 82 73.118 4.485 0.122 1.00 0.72 N ATOM 1221 CA VAL A 82 74.138 5.567 0.019 1.00 0.78 C ATOM 1222 C VAL A 82 75.087 5.489 1.218 1.00 0.81 C ATOM 1223 O VAL A 82 76.292 5.450 1.067 1.00 0.93 O ATOM 1224 CB VAL A 82 73.337 6.870 0.041 1.00 0.80 C ATOM 1225 CG1 VAL A 82 74.251 8.034 0.434 1.00 1.08 C ATOM 1226 CG2 VAL A 82 72.757 7.131 -1.351 1.00 1.36 C ATOM 0 H VAL A 82 72.157 4.773 -0.063 1.00 0.72 H new ATOM 0 HA VAL A 82 74.749 5.489 -0.881 1.00 0.78 H new ATOM 0 HB VAL A 82 72.529 6.784 0.768 1.00 0.80 H new ATOM 0 HG11 VAL A 82 73.676 8.960 0.448 1.00 1.08 H new ATOM 0 HG12 VAL A 82 74.668 7.851 1.424 1.00 1.08 H new ATOM 0 HG13 VAL A 82 75.061 8.121 -0.290 1.00 1.08 H new ATOM 0 HG21 VAL A 82 72.185 8.059 -1.339 1.00 1.36 H new ATOM 0 HG22 VAL A 82 73.569 7.214 -2.074 1.00 1.36 H new ATOM 0 HG23 VAL A 82 72.103 6.306 -1.633 1.00 1.36 H new ATOM 1236 N ARG A 83 74.550 5.458 2.408 1.00 0.79 N ATOM 1237 CA ARG A 83 75.420 5.373 3.616 1.00 0.85 C ATOM 1238 C ARG A 83 76.072 3.991 3.692 1.00 0.90 C ATOM 1239 O ARG A 83 77.110 3.814 4.298 1.00 1.00 O ATOM 1240 CB ARG A 83 74.476 5.587 4.800 1.00 0.87 C ATOM 1241 CG ARG A 83 73.909 7.008 4.751 1.00 1.07 C ATOM 1242 CD ARG A 83 73.641 7.501 6.174 1.00 0.92 C ATOM 1243 NE ARG A 83 74.963 7.973 6.673 1.00 1.62 N ATOM 1244 CZ ARG A 83 75.307 7.756 7.912 1.00 1.83 C ATOM 1245 NH1 ARG A 83 75.931 6.656 8.231 1.00 2.14 N ATOM 1246 NH2 ARG A 83 75.024 8.637 8.832 1.00 2.49 N ATOM 0 H ARG A 83 73.548 5.488 2.596 1.00 0.79 H new ATOM 0 HA ARG A 83 76.225 6.107 3.602 1.00 0.85 H new ATOM 0 HB2 ARG A 83 73.665 4.859 4.768 1.00 0.87 H new ATOM 0 HB3 ARG A 83 75.010 5.429 5.737 1.00 0.87 H new ATOM 0 HG2 ARG A 83 74.612 7.674 4.251 1.00 1.07 H new ATOM 0 HG3 ARG A 83 72.987 7.023 4.170 1.00 1.07 H new ATOM 0 HD2 ARG A 83 72.906 8.306 6.181 1.00 0.92 H new ATOM 0 HD3 ARG A 83 73.245 6.702 6.801 1.00 0.92 H new ATOM 0 HE ARG A 83 75.599 8.466 6.046 1.00 1.62 H new ATOM 0 HH11 ARG A 83 76.149 5.967 7.512 1.00 2.14 H new ATOM 0 HH12 ARG A 83 76.201 6.485 9.200 1.00 2.14 H new ATOM 0 HH21 ARG A 83 74.534 9.496 8.582 1.00 2.49 H new ATOM 0 HH22 ARG A 83 75.293 8.467 9.801 1.00 2.49 H new ATOM 1260 N SER A 84 75.470 3.009 3.075 1.00 0.92 N ATOM 1261 CA SER A 84 76.053 1.637 3.106 1.00 1.01 C ATOM 1262 C SER A 84 77.084 1.479 1.985 1.00 1.06 C ATOM 1263 O SER A 84 77.693 0.438 1.831 1.00 1.38 O ATOM 1264 CB SER A 84 74.871 0.698 2.878 1.00 1.04 C ATOM 1265 OG SER A 84 75.212 -0.604 3.335 1.00 1.52 O ATOM 0 H SER A 84 74.600 3.098 2.551 1.00 0.92 H new ATOM 0 HA SER A 84 76.565 1.427 4.045 1.00 1.01 H new ATOM 0 HB2 SER A 84 73.993 1.064 3.410 1.00 1.04 H new ATOM 0 HB3 SER A 84 74.614 0.669 1.819 1.00 1.04 H new ATOM 0 HG SER A 84 76.131 -0.814 3.069 1.00 1.52 H new ATOM 1271 N MET A 85 77.281 2.502 1.199 1.00 0.00 N ATOM 1272 CA MET A 85 78.269 2.407 0.088 1.00 0.00 C ATOM 1273 C MET A 85 79.662 2.802 0.581 1.00 0.00 C ATOM 1274 O MET A 85 80.536 1.971 0.733 1.00 0.00 O ATOM 1275 CB MET A 85 77.772 3.397 -0.967 1.00 0.00 C ATOM 1276 CG MET A 85 76.586 2.791 -1.720 1.00 0.00 C ATOM 1277 SD MET A 85 76.826 3.010 -3.500 1.00 0.00 S ATOM 1278 CE MET A 85 75.134 3.515 -3.896 1.00 0.00 C ATOM 0 H MET A 85 76.801 3.398 1.278 1.00 0.00 H new ATOM 0 HA MET A 85 78.350 1.394 -0.307 1.00 0.00 H new ATOM 0 HB2 MET A 85 77.475 4.332 -0.492 1.00 0.00 H new ATOM 0 HB3 MET A 85 78.575 3.635 -1.664 1.00 0.00 H new ATOM 0 HG2 MET A 85 76.494 1.731 -1.482 1.00 0.00 H new ATOM 0 HG3 MET A 85 75.659 3.270 -1.406 1.00 0.00 H new ATOM 0 HE1 MET A 85 75.085 3.842 -4.935 1.00 0.00 H new ATOM 0 HE2 MET A 85 74.459 2.672 -3.749 1.00 0.00 H new ATOM 0 HE3 MET A 85 74.837 4.336 -3.243 1.00 0.00 H new