USER MOD reduce.3.24.130724 H: found=0, std=0, add=613, rem=0, adj=15 USER MOD reduce.3.24.130724 removed 615 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 36 MET CE :methyl -155:sc=-0.00383 (180deg=-0.176) USER MOD Set 1.2: B 51 SER OG : rot 180:sc= 0 USER MOD Set 2.1: A 60 ASN : amide:sc= -2.88! C(o=-4.9!,f=-17!) USER MOD Set 2.2: A 62 THR OG1 : rot 180:sc= -2.01! USER MOD Single : A 5 THR OG1 : rot 180:sc= -0.398 USER MOD Single : A 8 GLN : amide:sc= -0.212 K(o=-0.21,f=-1.7!) USER MOD Single : A 13 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 17 SER OG : rot 25:sc= 0.0208 USER MOD Single : A 21 LYS NZ :NH3+ -179:sc= -1.05 (180deg=-1.07) USER MOD Single : A 26 THR OG1 : rot 43:sc= -1.94! USER MOD Single : A 28 THR OG1 : rot 54:sc= 0.0447 USER MOD Single : A 29 THR OG1 : rot 180:sc= -0.196 USER MOD Single : A 30 LYS NZ :NH3+ 176:sc= 0 (180deg=-0.0149) USER MOD Single : A 34 THR OG1 : rot 98:sc= 1.24 USER MOD Single : A 38 SER OG : rot 81:sc= 0.287 USER MOD Single : A 41 GLN : amide:sc= -0.194 X(o=-0.19,f=-0.51) USER MOD Single : A 42 ASN : amide:sc= 0 X(o=0,f=-0.34) USER MOD Single : A 44 THR OG1 : rot -78:sc= 0.191 USER MOD Single : A 49 GLN : amide:sc= -0.554 K(o=-0.55,f=-3.5!) USER MOD Single : A 51 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 53 ASN : amide:sc= -2.23! C(o=-2.2!,f=-3.7!) USER MOD Single : A 70 THR OG1 : rot 72:sc= 0.596 USER MOD Single : B 53 GLN : amide:sc= -2.63! C(o=-2.6!,f=-4.2!) USER MOD Single : B 61 GLN : amide:sc=-0.00983 K(o=-0.0098,f=-1.5!) USER MOD Single : B 63 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : B 65 MET CE :methyl -158:sc= -0.0988 (180deg=-1.27) USER MOD ----------------------------------------------------------------- ATOM 61 N THR A 5 -1.530 -16.860 -4.539 1.00 0.00 N ATOM 62 CA THR A 5 -0.383 -17.611 -5.041 1.00 0.00 C ATOM 63 C THR A 5 0.904 -17.147 -4.359 1.00 0.00 C ATOM 64 O THR A 5 0.901 -16.167 -3.615 1.00 0.00 O ATOM 65 CB THR A 5 -0.259 -17.429 -6.557 1.00 0.00 C ATOM 66 OG1 THR A 5 0.910 -18.089 -7.016 1.00 0.00 O ATOM 67 CG2 THR A 5 -0.165 -15.943 -6.895 1.00 0.00 C ATOM 0 HA THR A 5 -0.538 -18.666 -4.816 1.00 0.00 H new ATOM 0 HB THR A 5 -1.137 -17.854 -7.043 1.00 0.00 H new ATOM 0 HG1 THR A 5 0.990 -17.975 -7.986 1.00 0.00 H new ATOM 0 HG21 THR A 5 -0.077 -15.820 -7.974 1.00 0.00 H new ATOM 0 HG22 THR A 5 -1.062 -15.433 -6.544 1.00 0.00 H new ATOM 0 HG23 THR A 5 0.711 -15.514 -6.408 1.00 0.00 H new ATOM 75 N GLU A 6 2.002 -17.857 -4.618 1.00 0.00 N ATOM 76 CA GLU A 6 3.289 -17.506 -4.021 1.00 0.00 C ATOM 77 C GLU A 6 3.624 -16.040 -4.310 1.00 0.00 C ATOM 78 O GLU A 6 3.872 -15.251 -3.410 1.00 0.00 O ATOM 79 CB GLU A 6 4.384 -18.416 -4.596 1.00 0.00 C ATOM 80 CG GLU A 6 5.692 -18.204 -3.829 1.00 0.00 C ATOM 81 CD GLU A 6 6.772 -19.148 -4.346 1.00 0.00 C ATOM 82 OE1 GLU A 6 6.426 -20.102 -5.026 1.00 0.00 O ATOM 83 OE2 GLU A 6 7.932 -18.906 -4.054 1.00 0.00 O ATOM 0 H GLU A 6 2.026 -18.671 -5.232 1.00 0.00 H new ATOM 0 HA GLU A 6 3.232 -17.644 -2.941 1.00 0.00 H new ATOM 0 HB2 GLU A 6 4.076 -19.459 -4.526 1.00 0.00 H new ATOM 0 HB3 GLU A 6 4.533 -18.198 -5.654 1.00 0.00 H new ATOM 0 HG2 GLU A 6 6.021 -17.171 -3.938 1.00 0.00 H new ATOM 0 HG3 GLU A 6 5.529 -18.376 -2.765 1.00 0.00 H new ATOM 90 N GLU A 7 3.623 -15.687 -5.575 1.00 0.00 N ATOM 91 CA GLU A 7 3.921 -14.320 -5.985 1.00 0.00 C ATOM 92 C GLU A 7 3.197 -13.315 -5.077 1.00 0.00 C ATOM 93 O GLU A 7 3.819 -12.461 -4.461 1.00 0.00 O ATOM 94 CB GLU A 7 3.463 -14.117 -7.456 1.00 0.00 C ATOM 95 CG GLU A 7 3.212 -15.475 -8.144 1.00 0.00 C ATOM 96 CD GLU A 7 4.467 -16.351 -8.119 1.00 0.00 C ATOM 97 OE1 GLU A 7 5.357 -16.065 -7.334 1.00 0.00 O ATOM 98 OE2 GLU A 7 4.520 -17.295 -8.896 1.00 0.00 O ATOM 0 H GLU A 7 3.419 -16.324 -6.345 1.00 0.00 H new ATOM 0 HA GLU A 7 4.995 -14.151 -5.903 1.00 0.00 H new ATOM 0 HB2 GLU A 7 2.552 -13.519 -7.479 1.00 0.00 H new ATOM 0 HB3 GLU A 7 4.223 -13.561 -8.005 1.00 0.00 H new ATOM 0 HG2 GLU A 7 2.394 -15.993 -7.643 1.00 0.00 H new ATOM 0 HG3 GLU A 7 2.901 -15.311 -9.176 1.00 0.00 H new ATOM 105 N GLN A 8 1.874 -13.422 -5.021 1.00 0.00 N ATOM 106 CA GLN A 8 1.052 -12.508 -4.232 1.00 0.00 C ATOM 107 C GLN A 8 1.644 -12.233 -2.846 1.00 0.00 C ATOM 108 O GLN A 8 1.961 -11.093 -2.521 1.00 0.00 O ATOM 109 CB GLN A 8 -0.348 -13.120 -4.064 1.00 0.00 C ATOM 110 CG GLN A 8 -1.372 -12.014 -3.762 1.00 0.00 C ATOM 111 CD GLN A 8 -1.587 -11.136 -4.990 1.00 0.00 C ATOM 112 OE1 GLN A 8 -1.324 -11.560 -6.117 1.00 0.00 O ATOM 113 NE2 GLN A 8 -2.053 -9.930 -4.837 1.00 0.00 N ATOM 0 H GLN A 8 1.343 -14.138 -5.517 1.00 0.00 H new ATOM 0 HA GLN A 8 1.009 -11.558 -4.765 1.00 0.00 H new ATOM 0 HB2 GLN A 8 -0.632 -13.653 -4.972 1.00 0.00 H new ATOM 0 HB3 GLN A 8 -0.340 -13.850 -3.255 1.00 0.00 H new ATOM 0 HG2 GLN A 8 -2.318 -12.460 -3.456 1.00 0.00 H new ATOM 0 HG3 GLN A 8 -1.023 -11.405 -2.928 1.00 0.00 H new ATOM 0 HE21 GLN A 8 -2.270 -9.582 -3.903 1.00 0.00 H new ATOM 0 HE22 GLN A 8 -2.201 -9.333 -5.651 1.00 0.00 H new ATOM 122 N ILE A 9 1.781 -13.267 -2.020 1.00 0.00 N ATOM 123 CA ILE A 9 2.306 -13.066 -0.673 1.00 0.00 C ATOM 124 C ILE A 9 3.640 -12.322 -0.710 1.00 0.00 C ATOM 125 O ILE A 9 3.824 -11.330 -0.004 1.00 0.00 O ATOM 126 CB ILE A 9 2.458 -14.412 0.056 1.00 0.00 C ATOM 127 CG1 ILE A 9 3.124 -15.435 -0.856 1.00 0.00 C ATOM 128 CG2 ILE A 9 1.078 -14.933 0.461 1.00 0.00 C ATOM 129 CD1 ILE A 9 3.337 -16.741 -0.104 1.00 0.00 C ATOM 0 H ILE A 9 1.542 -14.231 -2.252 1.00 0.00 H new ATOM 0 HA ILE A 9 1.593 -12.453 -0.122 1.00 0.00 H new ATOM 0 HB ILE A 9 3.076 -14.262 0.941 1.00 0.00 H new ATOM 0 HG12 ILE A 9 2.504 -15.609 -1.735 1.00 0.00 H new ATOM 0 HG13 ILE A 9 4.080 -15.050 -1.211 1.00 0.00 H new ATOM 0 HG21 ILE A 9 1.186 -15.887 0.977 1.00 0.00 H new ATOM 0 HG22 ILE A 9 0.598 -14.214 1.124 1.00 0.00 H new ATOM 0 HG23 ILE A 9 0.465 -15.070 -0.430 1.00 0.00 H new ATOM 0 HD11 ILE A 9 3.813 -17.467 -0.763 1.00 0.00 H new ATOM 0 HD12 ILE A 9 3.975 -16.563 0.761 1.00 0.00 H new ATOM 0 HD13 ILE A 9 2.375 -17.130 0.229 1.00 0.00 H new ATOM 141 N ALA A 10 4.551 -12.790 -1.545 1.00 0.00 N ATOM 142 CA ALA A 10 5.848 -12.150 -1.673 1.00 0.00 C ATOM 143 C ALA A 10 5.672 -10.704 -2.137 1.00 0.00 C ATOM 144 O ALA A 10 6.362 -9.798 -1.671 1.00 0.00 O ATOM 145 CB ALA A 10 6.706 -12.922 -2.680 1.00 0.00 C ATOM 0 H ALA A 10 4.418 -13.607 -2.142 1.00 0.00 H new ATOM 0 HA ALA A 10 6.346 -12.151 -0.703 1.00 0.00 H new ATOM 0 HB1 ALA A 10 7.679 -12.440 -2.774 1.00 0.00 H new ATOM 0 HB2 ALA A 10 6.841 -13.946 -2.333 1.00 0.00 H new ATOM 0 HB3 ALA A 10 6.209 -12.930 -3.650 1.00 0.00 H new ATOM 151 N GLU A 11 4.740 -10.507 -3.065 1.00 0.00 N ATOM 152 CA GLU A 11 4.461 -9.182 -3.620 1.00 0.00 C ATOM 153 C GLU A 11 4.096 -8.189 -2.518 1.00 0.00 C ATOM 154 O GLU A 11 4.626 -7.077 -2.472 1.00 0.00 O ATOM 155 CB GLU A 11 3.305 -9.281 -4.621 1.00 0.00 C ATOM 156 CG GLU A 11 3.149 -7.953 -5.363 1.00 0.00 C ATOM 157 CD GLU A 11 2.015 -8.036 -6.382 1.00 0.00 C ATOM 158 OE1 GLU A 11 1.242 -8.976 -6.316 1.00 0.00 O ATOM 159 OE2 GLU A 11 1.942 -7.152 -7.220 1.00 0.00 O ATOM 0 H GLU A 11 4.161 -11.252 -3.452 1.00 0.00 H new ATOM 0 HA GLU A 11 5.360 -8.824 -4.121 1.00 0.00 H new ATOM 0 HB2 GLU A 11 3.495 -10.085 -5.332 1.00 0.00 H new ATOM 0 HB3 GLU A 11 2.380 -9.528 -4.100 1.00 0.00 H new ATOM 0 HG2 GLU A 11 2.947 -7.154 -4.650 1.00 0.00 H new ATOM 0 HG3 GLU A 11 4.081 -7.701 -5.868 1.00 0.00 H new ATOM 166 N PHE A 12 3.194 -8.589 -1.631 1.00 0.00 N ATOM 167 CA PHE A 12 2.778 -7.721 -0.541 1.00 0.00 C ATOM 168 C PHE A 12 3.955 -7.450 0.405 1.00 0.00 C ATOM 169 O PHE A 12 4.118 -6.337 0.892 1.00 0.00 O ATOM 170 CB PHE A 12 1.571 -8.360 0.195 1.00 0.00 C ATOM 171 CG PHE A 12 1.901 -8.639 1.644 1.00 0.00 C ATOM 172 CD1 PHE A 12 2.025 -7.578 2.546 1.00 0.00 C ATOM 173 CD2 PHE A 12 2.098 -9.950 2.075 1.00 0.00 C ATOM 174 CE1 PHE A 12 2.342 -7.833 3.880 1.00 0.00 C ATOM 175 CE2 PHE A 12 2.416 -10.208 3.407 1.00 0.00 C ATOM 176 CZ PHE A 12 2.536 -9.150 4.311 1.00 0.00 C ATOM 0 H PHE A 12 2.740 -9.502 -1.645 1.00 0.00 H new ATOM 0 HA PHE A 12 2.459 -6.757 -0.937 1.00 0.00 H new ATOM 0 HB2 PHE A 12 0.711 -7.693 0.137 1.00 0.00 H new ATOM 0 HB3 PHE A 12 1.288 -9.288 -0.302 1.00 0.00 H new ATOM 0 HD1 PHE A 12 1.876 -6.562 2.210 1.00 0.00 H new ATOM 0 HD2 PHE A 12 2.004 -10.767 1.375 1.00 0.00 H new ATOM 0 HE1 PHE A 12 2.438 -7.015 4.579 1.00 0.00 H new ATOM 0 HE2 PHE A 12 2.569 -11.224 3.740 1.00 0.00 H new ATOM 0 HZ PHE A 12 2.779 -9.349 5.344 1.00 0.00 H new ATOM 186 N LYS A 13 4.756 -8.480 0.663 1.00 0.00 N ATOM 187 CA LYS A 13 5.897 -8.345 1.550 1.00 0.00 C ATOM 188 C LYS A 13 6.827 -7.244 1.048 1.00 0.00 C ATOM 189 O LYS A 13 7.319 -6.426 1.828 1.00 0.00 O ATOM 190 CB LYS A 13 6.653 -9.677 1.617 1.00 0.00 C ATOM 191 CG LYS A 13 7.858 -9.554 2.579 1.00 0.00 C ATOM 192 CD LYS A 13 9.147 -9.369 1.766 1.00 0.00 C ATOM 193 CE LYS A 13 9.672 -10.721 1.275 1.00 0.00 C ATOM 194 NZ LYS A 13 10.988 -10.500 0.620 1.00 0.00 N ATOM 0 H LYS A 13 4.633 -9.413 0.270 1.00 0.00 H new ATOM 0 HA LYS A 13 5.545 -8.078 2.546 1.00 0.00 H new ATOM 0 HB2 LYS A 13 5.984 -10.467 1.958 1.00 0.00 H new ATOM 0 HB3 LYS A 13 6.999 -9.959 0.622 1.00 0.00 H new ATOM 0 HG2 LYS A 13 7.715 -8.708 3.251 1.00 0.00 H new ATOM 0 HG3 LYS A 13 7.933 -10.446 3.201 1.00 0.00 H new ATOM 0 HD2 LYS A 13 8.956 -8.716 0.915 1.00 0.00 H new ATOM 0 HD3 LYS A 13 9.904 -8.880 2.380 1.00 0.00 H new ATOM 0 HE2 LYS A 13 9.775 -11.414 2.110 1.00 0.00 H new ATOM 0 HE3 LYS A 13 8.969 -11.169 0.573 1.00 0.00 H new ATOM 0 HZ1 LYS A 13 11.363 -11.408 0.279 1.00 0.00 H new ATOM 0 HZ2 LYS A 13 10.871 -9.850 -0.183 1.00 0.00 H new ATOM 0 HZ3 LYS A 13 11.652 -10.087 1.306 1.00 0.00 H new ATOM 208 N GLU A 14 7.060 -7.223 -0.261 1.00 0.00 N ATOM 209 CA GLU A 14 7.927 -6.212 -0.857 1.00 0.00 C ATOM 210 C GLU A 14 7.308 -4.825 -0.678 1.00 0.00 C ATOM 211 O GLU A 14 7.915 -3.927 -0.085 1.00 0.00 O ATOM 212 CB GLU A 14 8.105 -6.508 -2.355 1.00 0.00 C ATOM 213 CG GLU A 14 8.903 -7.810 -2.551 1.00 0.00 C ATOM 214 CD GLU A 14 9.007 -8.174 -4.035 1.00 0.00 C ATOM 215 OE1 GLU A 14 8.505 -7.421 -4.854 1.00 0.00 O ATOM 216 OE2 GLU A 14 9.593 -9.207 -4.329 1.00 0.00 O ATOM 0 H GLU A 14 6.664 -7.889 -0.925 1.00 0.00 H new ATOM 0 HA GLU A 14 8.898 -6.236 -0.363 1.00 0.00 H new ATOM 0 HB2 GLU A 14 7.130 -6.596 -2.834 1.00 0.00 H new ATOM 0 HB3 GLU A 14 8.624 -5.679 -2.837 1.00 0.00 H new ATOM 0 HG2 GLU A 14 9.902 -7.695 -2.131 1.00 0.00 H new ATOM 0 HG3 GLU A 14 8.420 -8.622 -2.007 1.00 0.00 H new ATOM 223 N ALA A 15 6.084 -4.660 -1.170 1.00 0.00 N ATOM 224 CA ALA A 15 5.389 -3.385 -1.052 1.00 0.00 C ATOM 225 C ALA A 15 5.337 -2.950 0.415 1.00 0.00 C ATOM 226 O ALA A 15 5.481 -1.767 0.729 1.00 0.00 O ATOM 227 CB ALA A 15 3.973 -3.521 -1.627 1.00 0.00 C ATOM 0 H ALA A 15 5.557 -5.389 -1.651 1.00 0.00 H new ATOM 0 HA ALA A 15 5.927 -2.623 -1.615 1.00 0.00 H new ATOM 0 HB1 ALA A 15 3.452 -2.568 -1.539 1.00 0.00 H new ATOM 0 HB2 ALA A 15 4.033 -3.807 -2.677 1.00 0.00 H new ATOM 0 HB3 ALA A 15 3.427 -4.285 -1.073 1.00 0.00 H new ATOM 233 N PHE A 16 5.149 -3.917 1.306 1.00 0.00 N ATOM 234 CA PHE A 16 5.104 -3.618 2.732 1.00 0.00 C ATOM 235 C PHE A 16 6.414 -2.958 3.180 1.00 0.00 C ATOM 236 O PHE A 16 6.402 -1.905 3.813 1.00 0.00 O ATOM 237 CB PHE A 16 4.848 -4.926 3.522 1.00 0.00 C ATOM 238 CG PHE A 16 5.668 -4.959 4.799 1.00 0.00 C ATOM 239 CD1 PHE A 16 5.409 -4.048 5.827 1.00 0.00 C ATOM 240 CD2 PHE A 16 6.701 -5.898 4.938 1.00 0.00 C ATOM 241 CE1 PHE A 16 6.177 -4.077 6.996 1.00 0.00 C ATOM 242 CE2 PHE A 16 7.468 -5.926 6.103 1.00 0.00 C ATOM 243 CZ PHE A 16 7.206 -5.019 7.131 1.00 0.00 C ATOM 0 H PHE A 16 5.027 -4.902 1.071 1.00 0.00 H new ATOM 0 HA PHE A 16 4.291 -2.919 2.931 1.00 0.00 H new ATOM 0 HB2 PHE A 16 3.788 -5.008 3.764 1.00 0.00 H new ATOM 0 HB3 PHE A 16 5.100 -5.786 2.901 1.00 0.00 H new ATOM 0 HD1 PHE A 16 4.617 -3.322 5.719 1.00 0.00 H new ATOM 0 HD2 PHE A 16 6.903 -6.600 4.142 1.00 0.00 H new ATOM 0 HE1 PHE A 16 5.977 -3.375 7.792 1.00 0.00 H new ATOM 0 HE2 PHE A 16 8.264 -6.649 6.209 1.00 0.00 H new ATOM 0 HZ PHE A 16 7.798 -5.043 8.034 1.00 0.00 H new ATOM 253 N SER A 17 7.534 -3.597 2.856 1.00 0.00 N ATOM 254 CA SER A 17 8.851 -3.083 3.239 1.00 0.00 C ATOM 255 C SER A 17 9.077 -1.667 2.714 1.00 0.00 C ATOM 256 O SER A 17 9.806 -0.883 3.325 1.00 0.00 O ATOM 257 CB SER A 17 9.956 -4.003 2.705 1.00 0.00 C ATOM 258 OG SER A 17 9.974 -5.205 3.466 1.00 0.00 O ATOM 0 H SER A 17 7.559 -4.471 2.330 1.00 0.00 H new ATOM 0 HA SER A 17 8.886 -3.056 4.328 1.00 0.00 H new ATOM 0 HB2 SER A 17 9.782 -4.228 1.653 1.00 0.00 H new ATOM 0 HB3 SER A 17 10.923 -3.504 2.768 1.00 0.00 H new ATOM 0 HG SER A 17 9.090 -5.355 3.862 1.00 0.00 H new ATOM 264 N LEU A 18 8.466 -1.348 1.578 1.00 0.00 N ATOM 265 CA LEU A 18 8.624 -0.014 0.986 1.00 0.00 C ATOM 266 C LEU A 18 7.871 1.053 1.781 1.00 0.00 C ATOM 267 O LEU A 18 8.394 2.142 2.027 1.00 0.00 O ATOM 268 CB LEU A 18 8.102 -0.028 -0.456 1.00 0.00 C ATOM 269 CG LEU A 18 8.938 -0.993 -1.306 1.00 0.00 C ATOM 270 CD1 LEU A 18 8.364 -1.055 -2.723 1.00 0.00 C ATOM 271 CD2 LEU A 18 10.397 -0.512 -1.370 1.00 0.00 C ATOM 0 H LEU A 18 7.864 -1.981 1.051 1.00 0.00 H new ATOM 0 HA LEU A 18 9.685 0.234 1.005 1.00 0.00 H new ATOM 0 HB2 LEU A 18 7.055 -0.331 -0.470 1.00 0.00 H new ATOM 0 HB3 LEU A 18 8.149 0.976 -0.878 1.00 0.00 H new ATOM 0 HG LEU A 18 8.906 -1.983 -0.852 1.00 0.00 H new ATOM 0 HD11 LEU A 18 8.958 -1.741 -3.327 1.00 0.00 H new ATOM 0 HD12 LEU A 18 7.333 -1.407 -2.683 1.00 0.00 H new ATOM 0 HD13 LEU A 18 8.391 -0.061 -3.170 1.00 0.00 H new ATOM 0 HD21 LEU A 18 10.982 -1.204 -1.976 1.00 0.00 H new ATOM 0 HD22 LEU A 18 10.433 0.481 -1.817 1.00 0.00 H new ATOM 0 HD23 LEU A 18 10.811 -0.472 -0.363 1.00 0.00 H new ATOM 283 N PHE A 19 6.634 0.744 2.162 1.00 0.00 N ATOM 284 CA PHE A 19 5.815 1.697 2.907 1.00 0.00 C ATOM 285 C PHE A 19 6.352 1.919 4.317 1.00 0.00 C ATOM 286 O PHE A 19 6.611 3.049 4.714 1.00 0.00 O ATOM 287 CB PHE A 19 4.371 1.202 2.980 1.00 0.00 C ATOM 288 CG PHE A 19 3.815 1.026 1.582 1.00 0.00 C ATOM 289 CD1 PHE A 19 3.720 2.124 0.718 1.00 0.00 C ATOM 290 CD2 PHE A 19 3.395 -0.239 1.150 1.00 0.00 C ATOM 291 CE1 PHE A 19 3.207 1.956 -0.573 1.00 0.00 C ATOM 292 CE2 PHE A 19 2.885 -0.404 -0.137 1.00 0.00 C ATOM 293 CZ PHE A 19 2.791 0.692 -1.003 1.00 0.00 C ATOM 0 H PHE A 19 6.180 -0.149 1.970 1.00 0.00 H new ATOM 0 HA PHE A 19 5.852 2.649 2.377 1.00 0.00 H new ATOM 0 HB2 PHE A 19 4.329 0.256 3.519 1.00 0.00 H new ATOM 0 HB3 PHE A 19 3.761 1.914 3.536 1.00 0.00 H new ATOM 0 HD1 PHE A 19 4.043 3.100 1.048 1.00 0.00 H new ATOM 0 HD2 PHE A 19 3.466 -1.087 1.815 1.00 0.00 H new ATOM 0 HE1 PHE A 19 3.132 2.804 -1.238 1.00 0.00 H new ATOM 0 HE2 PHE A 19 2.561 -1.380 -0.467 1.00 0.00 H new ATOM 0 HZ PHE A 19 2.398 0.562 -2.001 1.00 0.00 H new ATOM 303 N ASP A 20 6.515 0.844 5.076 1.00 0.00 N ATOM 304 CA ASP A 20 7.016 0.969 6.443 1.00 0.00 C ATOM 305 C ASP A 20 8.357 1.705 6.457 1.00 0.00 C ATOM 306 O ASP A 20 9.419 1.083 6.434 1.00 0.00 O ATOM 307 CB ASP A 20 7.173 -0.424 7.069 1.00 0.00 C ATOM 308 CG ASP A 20 7.307 -0.301 8.582 1.00 0.00 C ATOM 309 OD1 ASP A 20 7.771 0.735 9.033 1.00 0.00 O ATOM 310 OD2 ASP A 20 6.934 -1.240 9.271 1.00 0.00 O ATOM 0 H ASP A 20 6.312 -0.110 4.778 1.00 0.00 H new ATOM 0 HA ASP A 20 6.299 1.546 7.027 1.00 0.00 H new ATOM 0 HB2 ASP A 20 6.311 -1.043 6.821 1.00 0.00 H new ATOM 0 HB3 ASP A 20 8.051 -0.921 6.657 1.00 0.00 H new ATOM 315 N LYS A 21 8.307 3.035 6.485 1.00 0.00 N ATOM 316 CA LYS A 21 9.536 3.815 6.491 1.00 0.00 C ATOM 317 C LYS A 21 10.336 3.552 7.762 1.00 0.00 C ATOM 318 O LYS A 21 11.486 3.116 7.701 1.00 0.00 O ATOM 319 CB LYS A 21 9.227 5.316 6.384 1.00 0.00 C ATOM 320 CG LYS A 21 8.579 5.645 5.028 1.00 0.00 C ATOM 321 CD LYS A 21 9.524 5.270 3.864 1.00 0.00 C ATOM 322 CE LYS A 21 9.255 6.160 2.642 1.00 0.00 C ATOM 323 NZ LYS A 21 9.625 5.423 1.397 1.00 0.00 N ATOM 0 H LYS A 21 7.447 3.583 6.503 1.00 0.00 H new ATOM 0 HA LYS A 21 10.128 3.510 5.628 1.00 0.00 H new ATOM 0 HB2 LYS A 21 8.559 5.613 7.193 1.00 0.00 H new ATOM 0 HB3 LYS A 21 10.146 5.890 6.502 1.00 0.00 H new ATOM 0 HG2 LYS A 21 7.639 5.103 4.928 1.00 0.00 H new ATOM 0 HG3 LYS A 21 8.341 6.708 4.982 1.00 0.00 H new ATOM 0 HD2 LYS A 21 10.561 5.381 4.180 1.00 0.00 H new ATOM 0 HD3 LYS A 21 9.383 4.223 3.596 1.00 0.00 H new ATOM 0 HE2 LYS A 21 8.203 6.444 2.610 1.00 0.00 H new ATOM 0 HE3 LYS A 21 9.832 7.082 2.716 1.00 0.00 H new ATOM 0 HZ1 LYS A 21 9.459 6.032 0.571 1.00 0.00 H new ATOM 0 HZ2 LYS A 21 10.630 5.159 1.436 1.00 0.00 H new ATOM 0 HZ3 LYS A 21 9.044 4.564 1.316 1.00 0.00 H new ATOM 337 N ASP A 22 9.714 3.801 8.910 1.00 0.00 N ATOM 338 CA ASP A 22 10.383 3.598 10.193 1.00 0.00 C ATOM 339 C ASP A 22 10.776 2.129 10.350 1.00 0.00 C ATOM 340 O ASP A 22 11.648 1.793 11.152 1.00 0.00 O ATOM 341 CB ASP A 22 9.428 4.005 11.323 1.00 0.00 C ATOM 342 CG ASP A 22 8.143 3.192 11.235 1.00 0.00 C ATOM 343 OD1 ASP A 22 8.236 2.000 10.986 1.00 0.00 O ATOM 344 OD2 ASP A 22 7.081 3.773 11.418 1.00 0.00 O ATOM 0 H ASP A 22 8.755 4.141 8.980 1.00 0.00 H new ATOM 0 HA ASP A 22 11.285 4.208 10.236 1.00 0.00 H new ATOM 0 HB2 ASP A 22 9.905 3.844 12.290 1.00 0.00 H new ATOM 0 HB3 ASP A 22 9.201 5.069 11.253 1.00 0.00 H new ATOM 349 N GLY A 23 10.152 1.268 9.549 1.00 0.00 N ATOM 350 CA GLY A 23 10.457 -0.160 9.576 1.00 0.00 C ATOM 351 C GLY A 23 10.094 -0.791 10.913 1.00 0.00 C ATOM 352 O GLY A 23 10.872 -1.570 11.468 1.00 0.00 O ATOM 0 H GLY A 23 9.434 1.534 8.875 1.00 0.00 H new ATOM 0 HA2 GLY A 23 9.912 -0.663 8.777 1.00 0.00 H new ATOM 0 HA3 GLY A 23 11.519 -0.309 9.380 1.00 0.00 H new ATOM 356 N ASP A 24 8.912 -0.458 11.437 1.00 0.00 N ATOM 357 CA ASP A 24 8.471 -1.012 12.722 1.00 0.00 C ATOM 358 C ASP A 24 7.636 -2.280 12.519 1.00 0.00 C ATOM 359 O ASP A 24 7.257 -2.944 13.483 1.00 0.00 O ATOM 360 CB ASP A 24 7.661 0.036 13.499 1.00 0.00 C ATOM 361 CG ASP A 24 6.278 0.229 12.883 1.00 0.00 C ATOM 362 OD1 ASP A 24 6.077 -0.221 11.764 1.00 0.00 O ATOM 363 OD2 ASP A 24 5.438 0.829 13.538 1.00 0.00 O ATOM 0 H ASP A 24 8.250 0.183 11.000 1.00 0.00 H new ATOM 0 HA ASP A 24 9.357 -1.278 13.298 1.00 0.00 H new ATOM 0 HB2 ASP A 24 7.559 -0.276 14.538 1.00 0.00 H new ATOM 0 HB3 ASP A 24 8.197 0.985 13.502 1.00 0.00 H new ATOM 368 N GLY A 25 7.358 -2.612 11.259 1.00 0.00 N ATOM 369 CA GLY A 25 6.570 -3.807 10.942 1.00 0.00 C ATOM 370 C GLY A 25 5.123 -3.441 10.642 1.00 0.00 C ATOM 371 O GLY A 25 4.277 -4.316 10.452 1.00 0.00 O ATOM 0 H GLY A 25 7.663 -2.077 10.446 1.00 0.00 H new ATOM 0 HA2 GLY A 25 7.006 -4.317 10.083 1.00 0.00 H new ATOM 0 HA3 GLY A 25 6.607 -4.504 11.779 1.00 0.00 H new ATOM 375 N THR A 26 4.843 -2.143 10.598 1.00 0.00 N ATOM 376 CA THR A 26 3.493 -1.658 10.316 1.00 0.00 C ATOM 377 C THR A 26 3.549 -0.465 9.374 1.00 0.00 C ATOM 378 O THR A 26 4.625 0.056 9.078 1.00 0.00 O ATOM 379 CB THR A 26 2.798 -1.262 11.627 1.00 0.00 C ATOM 380 OG1 THR A 26 3.751 -0.671 12.500 1.00 0.00 O ATOM 381 CG2 THR A 26 2.194 -2.499 12.294 1.00 0.00 C ATOM 0 H THR A 26 5.531 -1.406 10.754 1.00 0.00 H new ATOM 0 HA THR A 26 2.924 -2.455 9.837 1.00 0.00 H new ATOM 0 HB THR A 26 2.001 -0.550 11.412 1.00 0.00 H new ATOM 0 HG1 THR A 26 4.320 -0.054 11.994 1.00 0.00 H new ATOM 0 HG21 THR A 26 1.703 -2.208 13.223 1.00 0.00 H new ATOM 0 HG22 THR A 26 1.464 -2.953 11.624 1.00 0.00 H new ATOM 0 HG23 THR A 26 2.984 -3.218 12.511 1.00 0.00 H new ATOM 389 N ILE A 27 2.380 -0.030 8.911 1.00 0.00 N ATOM 390 CA ILE A 27 2.304 1.119 8.010 1.00 0.00 C ATOM 391 C ILE A 27 1.315 2.135 8.559 1.00 0.00 C ATOM 392 O ILE A 27 0.360 1.772 9.242 1.00 0.00 O ATOM 393 CB ILE A 27 1.882 0.672 6.612 1.00 0.00 C ATOM 394 CG1 ILE A 27 2.953 -0.245 6.021 1.00 0.00 C ATOM 395 CG2 ILE A 27 1.711 1.898 5.712 1.00 0.00 C ATOM 396 CD1 ILE A 27 2.398 -0.932 4.770 1.00 0.00 C ATOM 0 H ILE A 27 1.480 -0.450 9.141 1.00 0.00 H new ATOM 0 HA ILE A 27 3.289 1.581 7.940 1.00 0.00 H new ATOM 0 HB ILE A 27 0.937 0.133 6.677 1.00 0.00 H new ATOM 0 HG12 ILE A 27 3.843 0.332 5.768 1.00 0.00 H new ATOM 0 HG13 ILE A 27 3.255 -0.991 6.756 1.00 0.00 H new ATOM 0 HG21 ILE A 27 1.410 1.578 4.715 1.00 0.00 H new ATOM 0 HG22 ILE A 27 0.946 2.552 6.130 1.00 0.00 H new ATOM 0 HG23 ILE A 27 2.656 2.438 5.650 1.00 0.00 H new ATOM 0 HD11 ILE A 27 3.160 -1.587 4.346 1.00 0.00 H new ATOM 0 HD12 ILE A 27 1.521 -1.521 5.037 1.00 0.00 H new ATOM 0 HD13 ILE A 27 2.118 -0.178 4.035 1.00 0.00 H new ATOM 408 N THR A 28 1.545 3.412 8.266 1.00 0.00 N ATOM 409 CA THR A 28 0.657 4.472 8.750 1.00 0.00 C ATOM 410 C THR A 28 0.502 5.581 7.705 1.00 0.00 C ATOM 411 O THR A 28 1.093 5.524 6.629 1.00 0.00 O ATOM 412 CB THR A 28 1.211 5.060 10.053 1.00 0.00 C ATOM 413 OG1 THR A 28 0.189 5.807 10.696 1.00 0.00 O ATOM 414 CG2 THR A 28 2.390 5.986 9.752 1.00 0.00 C ATOM 0 H THR A 28 2.330 3.739 7.702 1.00 0.00 H new ATOM 0 HA THR A 28 -0.325 4.037 8.934 1.00 0.00 H new ATOM 0 HB THR A 28 1.548 4.248 10.698 1.00 0.00 H new ATOM 0 HG1 THR A 28 -0.606 5.245 10.808 1.00 0.00 H new ATOM 0 HG21 THR A 28 2.776 6.398 10.684 1.00 0.00 H new ATOM 0 HG22 THR A 28 3.177 5.422 9.251 1.00 0.00 H new ATOM 0 HG23 THR A 28 2.059 6.799 9.106 1.00 0.00 H new ATOM 422 N THR A 29 -0.314 6.579 8.035 1.00 0.00 N ATOM 423 CA THR A 29 -0.567 7.696 7.126 1.00 0.00 C ATOM 424 C THR A 29 0.732 8.406 6.759 1.00 0.00 C ATOM 425 O THR A 29 0.958 8.750 5.603 1.00 0.00 O ATOM 426 CB THR A 29 -1.506 8.709 7.791 1.00 0.00 C ATOM 427 OG1 THR A 29 -0.853 9.295 8.907 1.00 0.00 O ATOM 428 CG2 THR A 29 -2.776 8.004 8.265 1.00 0.00 C ATOM 0 H THR A 29 -0.811 6.638 8.924 1.00 0.00 H new ATOM 0 HA THR A 29 -1.024 7.294 6.222 1.00 0.00 H new ATOM 0 HB THR A 29 -1.769 9.482 7.069 1.00 0.00 H new ATOM 0 HG1 THR A 29 -1.451 9.944 9.332 1.00 0.00 H new ATOM 0 HG21 THR A 29 -3.440 8.728 8.737 1.00 0.00 H new ATOM 0 HG22 THR A 29 -3.281 7.551 7.412 1.00 0.00 H new ATOM 0 HG23 THR A 29 -2.515 7.229 8.985 1.00 0.00 H new ATOM 436 N LYS A 30 1.568 8.634 7.763 1.00 0.00 N ATOM 437 CA LYS A 30 2.840 9.319 7.561 1.00 0.00 C ATOM 438 C LYS A 30 3.775 8.491 6.677 1.00 0.00 C ATOM 439 O LYS A 30 4.406 9.021 5.762 1.00 0.00 O ATOM 440 CB LYS A 30 3.499 9.575 8.921 1.00 0.00 C ATOM 441 CG LYS A 30 2.647 10.567 9.722 1.00 0.00 C ATOM 442 CD LYS A 30 3.276 10.791 11.104 1.00 0.00 C ATOM 443 CE LYS A 30 2.458 11.827 11.882 1.00 0.00 C ATOM 444 NZ LYS A 30 1.215 11.186 12.400 1.00 0.00 N ATOM 0 H LYS A 30 1.389 8.355 8.727 1.00 0.00 H new ATOM 0 HA LYS A 30 2.650 10.267 7.058 1.00 0.00 H new ATOM 0 HB2 LYS A 30 3.600 8.639 9.470 1.00 0.00 H new ATOM 0 HB3 LYS A 30 4.504 9.972 8.781 1.00 0.00 H new ATOM 0 HG2 LYS A 30 2.575 11.514 9.187 1.00 0.00 H new ATOM 0 HG3 LYS A 30 1.632 10.184 9.831 1.00 0.00 H new ATOM 0 HD2 LYS A 30 3.310 9.851 11.655 1.00 0.00 H new ATOM 0 HD3 LYS A 30 4.305 11.134 10.995 1.00 0.00 H new ATOM 0 HE2 LYS A 30 3.047 12.226 12.708 1.00 0.00 H new ATOM 0 HE3 LYS A 30 2.205 12.668 11.236 1.00 0.00 H new ATOM 0 HZ1 LYS A 30 0.691 11.868 12.985 1.00 0.00 H new ATOM 0 HZ2 LYS A 30 0.620 10.886 11.601 1.00 0.00 H new ATOM 0 HZ3 LYS A 30 1.466 10.357 12.975 1.00 0.00 H new ATOM 458 N GLU A 31 3.856 7.190 6.954 1.00 0.00 N ATOM 459 CA GLU A 31 4.715 6.304 6.172 1.00 0.00 C ATOM 460 C GLU A 31 4.276 6.308 4.708 1.00 0.00 C ATOM 461 O GLU A 31 5.028 6.723 3.820 1.00 0.00 O ATOM 462 CB GLU A 31 4.637 4.875 6.739 1.00 0.00 C ATOM 463 CG GLU A 31 5.451 4.777 8.038 1.00 0.00 C ATOM 464 CD GLU A 31 5.058 3.527 8.829 1.00 0.00 C ATOM 465 OE1 GLU A 31 3.899 3.430 9.204 1.00 0.00 O ATOM 466 OE2 GLU A 31 5.926 2.700 9.076 1.00 0.00 O ATOM 0 H GLU A 31 3.343 6.730 7.706 1.00 0.00 H new ATOM 0 HA GLU A 31 5.744 6.659 6.232 1.00 0.00 H new ATOM 0 HB2 GLU A 31 3.598 4.608 6.931 1.00 0.00 H new ATOM 0 HB3 GLU A 31 5.019 4.164 6.007 1.00 0.00 H new ATOM 0 HG2 GLU A 31 6.515 4.746 7.805 1.00 0.00 H new ATOM 0 HG3 GLU A 31 5.283 5.666 8.646 1.00 0.00 H new ATOM 473 N LEU A 32 3.047 5.861 4.473 1.00 0.00 N ATOM 474 CA LEU A 32 2.495 5.823 3.123 1.00 0.00 C ATOM 475 C LEU A 32 2.431 7.226 2.523 1.00 0.00 C ATOM 476 O LEU A 32 2.856 7.441 1.388 1.00 0.00 O ATOM 477 CB LEU A 32 1.092 5.207 3.178 1.00 0.00 C ATOM 478 CG LEU A 32 0.345 5.388 1.849 1.00 0.00 C ATOM 479 CD1 LEU A 32 1.046 4.590 0.753 1.00 0.00 C ATOM 480 CD2 LEU A 32 -1.093 4.891 1.995 1.00 0.00 C ATOM 0 H LEU A 32 2.415 5.521 5.198 1.00 0.00 H new ATOM 0 HA LEU A 32 3.141 5.217 2.488 1.00 0.00 H new ATOM 0 HB2 LEU A 32 1.169 4.145 3.412 1.00 0.00 H new ATOM 0 HB3 LEU A 32 0.522 5.670 3.983 1.00 0.00 H new ATOM 0 HG LEU A 32 0.339 6.445 1.583 1.00 0.00 H new ATOM 0 HD11 LEU A 32 0.514 4.720 -0.189 1.00 0.00 H new ATOM 0 HD12 LEU A 32 2.071 4.945 0.643 1.00 0.00 H new ATOM 0 HD13 LEU A 32 1.055 3.534 1.021 1.00 0.00 H new ATOM 0 HD21 LEU A 32 -1.621 5.021 1.050 1.00 0.00 H new ATOM 0 HD22 LEU A 32 -1.087 3.835 2.265 1.00 0.00 H new ATOM 0 HD23 LEU A 32 -1.598 5.462 2.774 1.00 0.00 H new ATOM 492 N GLY A 33 1.893 8.169 3.289 1.00 0.00 N ATOM 493 CA GLY A 33 1.770 9.549 2.822 1.00 0.00 C ATOM 494 C GLY A 33 3.092 10.028 2.242 1.00 0.00 C ATOM 495 O GLY A 33 3.124 10.661 1.185 1.00 0.00 O ATOM 0 H GLY A 33 1.536 8.007 4.231 1.00 0.00 H new ATOM 0 HA2 GLY A 33 0.987 9.616 2.066 1.00 0.00 H new ATOM 0 HA3 GLY A 33 1.472 10.195 3.648 1.00 0.00 H new ATOM 499 N THR A 34 4.182 9.722 2.936 1.00 0.00 N ATOM 500 CA THR A 34 5.505 10.121 2.472 1.00 0.00 C ATOM 501 C THR A 34 5.770 9.511 1.102 1.00 0.00 C ATOM 502 O THR A 34 6.157 10.213 0.167 1.00 0.00 O ATOM 503 CB THR A 34 6.574 9.652 3.467 1.00 0.00 C ATOM 504 OG1 THR A 34 6.352 10.275 4.724 1.00 0.00 O ATOM 505 CG2 THR A 34 7.965 10.026 2.953 1.00 0.00 C ATOM 0 H THR A 34 4.177 9.203 3.814 1.00 0.00 H new ATOM 0 HA THR A 34 5.546 11.208 2.397 1.00 0.00 H new ATOM 0 HB THR A 34 6.512 8.569 3.576 1.00 0.00 H new ATOM 0 HG1 THR A 34 5.862 9.662 5.311 1.00 0.00 H new ATOM 0 HG21 THR A 34 8.719 9.690 3.665 1.00 0.00 H new ATOM 0 HG22 THR A 34 8.137 9.547 1.989 1.00 0.00 H new ATOM 0 HG23 THR A 34 8.032 11.108 2.838 1.00 0.00 H new ATOM 513 N VAL A 35 5.557 8.202 0.977 1.00 0.00 N ATOM 514 CA VAL A 35 5.783 7.514 -0.295 1.00 0.00 C ATOM 515 C VAL A 35 4.912 8.107 -1.401 1.00 0.00 C ATOM 516 O VAL A 35 5.379 8.323 -2.516 1.00 0.00 O ATOM 517 CB VAL A 35 5.442 6.025 -0.146 1.00 0.00 C ATOM 518 CG1 VAL A 35 5.641 5.303 -1.489 1.00 0.00 C ATOM 519 CG2 VAL A 35 6.353 5.391 0.901 1.00 0.00 C ATOM 0 H VAL A 35 5.231 7.600 1.733 1.00 0.00 H new ATOM 0 HA VAL A 35 6.832 7.638 -0.563 1.00 0.00 H new ATOM 0 HB VAL A 35 4.402 5.932 0.166 1.00 0.00 H new ATOM 0 HG11 VAL A 35 5.397 4.247 -1.374 1.00 0.00 H new ATOM 0 HG12 VAL A 35 4.988 5.747 -2.241 1.00 0.00 H new ATOM 0 HG13 VAL A 35 6.679 5.403 -1.805 1.00 0.00 H new ATOM 0 HG21 VAL A 35 6.108 4.334 1.004 1.00 0.00 H new ATOM 0 HG22 VAL A 35 7.392 5.494 0.589 1.00 0.00 H new ATOM 0 HG23 VAL A 35 6.210 5.892 1.859 1.00 0.00 H new ATOM 529 N MET A 36 3.654 8.381 -1.079 1.00 0.00 N ATOM 530 CA MET A 36 2.735 8.955 -2.062 1.00 0.00 C ATOM 531 C MET A 36 3.144 10.376 -2.462 1.00 0.00 C ATOM 532 O MET A 36 3.077 10.744 -3.636 1.00 0.00 O ATOM 533 CB MET A 36 1.306 8.951 -1.511 1.00 0.00 C ATOM 534 CG MET A 36 0.852 7.506 -1.283 1.00 0.00 C ATOM 535 SD MET A 36 -0.932 7.469 -0.996 1.00 0.00 S ATOM 536 CE MET A 36 -1.429 7.099 -2.693 1.00 0.00 C ATOM 0 H MET A 36 3.247 8.219 -0.158 1.00 0.00 H new ATOM 0 HA MET A 36 2.779 8.336 -2.958 1.00 0.00 H new ATOM 0 HB2 MET A 36 1.264 9.509 -0.576 1.00 0.00 H new ATOM 0 HB3 MET A 36 0.634 9.449 -2.210 1.00 0.00 H new ATOM 0 HG2 MET A 36 1.104 6.894 -2.149 1.00 0.00 H new ATOM 0 HG3 MET A 36 1.377 7.080 -0.428 1.00 0.00 H new ATOM 0 HE1 MET A 36 -2.446 7.455 -2.860 1.00 0.00 H new ATOM 0 HE2 MET A 36 -0.752 7.597 -3.387 1.00 0.00 H new ATOM 0 HE3 MET A 36 -1.390 6.022 -2.857 1.00 0.00 H new ATOM 546 N ARG A 37 3.565 11.167 -1.484 1.00 0.00 N ATOM 547 CA ARG A 37 3.983 12.543 -1.754 1.00 0.00 C ATOM 548 C ARG A 37 5.286 12.561 -2.557 1.00 0.00 C ATOM 549 O ARG A 37 5.367 13.195 -3.608 1.00 0.00 O ATOM 550 CB ARG A 37 4.149 13.305 -0.443 1.00 0.00 C ATOM 551 CG ARG A 37 4.492 14.765 -0.749 1.00 0.00 C ATOM 552 CD ARG A 37 4.399 15.596 0.525 1.00 0.00 C ATOM 553 NE ARG A 37 4.980 16.915 0.298 1.00 0.00 N ATOM 554 CZ ARG A 37 4.267 17.905 -0.216 1.00 0.00 C ATOM 555 NH1 ARG A 37 3.018 17.716 -0.529 1.00 0.00 N ATOM 556 NH2 ARG A 37 4.825 19.059 -0.425 1.00 0.00 N ATOM 0 H ARG A 37 3.627 10.887 -0.505 1.00 0.00 H new ATOM 0 HA ARG A 37 3.212 13.034 -2.348 1.00 0.00 H new ATOM 0 HB2 ARG A 37 3.231 13.250 0.142 1.00 0.00 H new ATOM 0 HB3 ARG A 37 4.938 12.852 0.157 1.00 0.00 H new ATOM 0 HG2 ARG A 37 5.497 14.832 -1.165 1.00 0.00 H new ATOM 0 HG3 ARG A 37 3.808 15.159 -1.501 1.00 0.00 H new ATOM 0 HD2 ARG A 37 3.357 15.695 0.830 1.00 0.00 H new ATOM 0 HD3 ARG A 37 4.923 15.093 1.338 1.00 0.00 H new ATOM 0 HE ARG A 37 5.957 17.078 0.541 1.00 0.00 H new ATOM 0 HH11 ARG A 37 2.587 16.804 -0.378 1.00 0.00 H new ATOM 0 HH12 ARG A 37 2.470 18.480 -0.925 1.00 0.00 H new ATOM 0 HH21 ARG A 37 5.808 19.199 -0.193 1.00 0.00 H new ATOM 0 HH22 ARG A 37 4.280 19.825 -0.821 1.00 0.00 H new ATOM 570 N SER A 38 6.301 11.858 -2.057 1.00 0.00 N ATOM 571 CA SER A 38 7.599 11.802 -2.735 1.00 0.00 C ATOM 572 C SER A 38 7.422 11.474 -4.216 1.00 0.00 C ATOM 573 O SER A 38 8.205 11.918 -5.056 1.00 0.00 O ATOM 574 CB SER A 38 8.486 10.741 -2.081 1.00 0.00 C ATOM 575 OG SER A 38 8.838 11.161 -0.769 1.00 0.00 O ATOM 0 H SER A 38 6.253 11.322 -1.191 1.00 0.00 H new ATOM 0 HA SER A 38 8.073 12.780 -2.646 1.00 0.00 H new ATOM 0 HB2 SER A 38 7.960 9.787 -2.040 1.00 0.00 H new ATOM 0 HB3 SER A 38 9.385 10.585 -2.678 1.00 0.00 H new ATOM 0 HG SER A 38 8.103 10.959 -0.153 1.00 0.00 H new ATOM 581 N LEU A 39 6.390 10.695 -4.526 1.00 0.00 N ATOM 582 CA LEU A 39 6.118 10.315 -5.911 1.00 0.00 C ATOM 583 C LEU A 39 5.523 11.482 -6.696 1.00 0.00 C ATOM 584 O LEU A 39 5.519 11.475 -7.928 1.00 0.00 O ATOM 585 CB LEU A 39 5.160 9.122 -5.934 1.00 0.00 C ATOM 586 CG LEU A 39 5.883 7.877 -5.402 1.00 0.00 C ATOM 587 CD1 LEU A 39 4.857 6.798 -5.062 1.00 0.00 C ATOM 588 CD2 LEU A 39 6.853 7.335 -6.465 1.00 0.00 C ATOM 0 H LEU A 39 5.732 10.316 -3.844 1.00 0.00 H new ATOM 0 HA LEU A 39 7.059 10.038 -6.386 1.00 0.00 H new ATOM 0 HB2 LEU A 39 4.282 9.335 -5.324 1.00 0.00 H new ATOM 0 HB3 LEU A 39 4.807 8.945 -6.950 1.00 0.00 H new ATOM 0 HG LEU A 39 6.444 8.149 -4.508 1.00 0.00 H new ATOM 0 HD11 LEU A 39 5.370 5.914 -4.684 1.00 0.00 H new ATOM 0 HD12 LEU A 39 4.173 7.173 -4.301 1.00 0.00 H new ATOM 0 HD13 LEU A 39 4.294 6.536 -5.958 1.00 0.00 H new ATOM 0 HD21 LEU A 39 7.361 6.452 -6.078 1.00 0.00 H new ATOM 0 HD22 LEU A 39 6.296 7.069 -7.363 1.00 0.00 H new ATOM 0 HD23 LEU A 39 7.590 8.100 -6.708 1.00 0.00 H new ATOM 600 N GLY A 40 5.030 12.491 -5.977 1.00 0.00 N ATOM 601 CA GLY A 40 4.446 13.678 -6.617 1.00 0.00 C ATOM 602 C GLY A 40 2.917 13.659 -6.581 1.00 0.00 C ATOM 603 O GLY A 40 2.266 14.339 -7.374 1.00 0.00 O ATOM 0 H GLY A 40 5.022 12.514 -4.957 1.00 0.00 H new ATOM 0 HA2 GLY A 40 4.809 14.575 -6.115 1.00 0.00 H new ATOM 0 HA3 GLY A 40 4.783 13.734 -7.652 1.00 0.00 H new ATOM 607 N GLN A 41 2.348 12.887 -5.660 1.00 0.00 N ATOM 608 CA GLN A 41 0.892 12.803 -5.543 1.00 0.00 C ATOM 609 C GLN A 41 0.335 14.007 -4.775 1.00 0.00 C ATOM 610 O GLN A 41 0.654 14.217 -3.604 1.00 0.00 O ATOM 611 CB GLN A 41 0.504 11.499 -4.837 1.00 0.00 C ATOM 612 CG GLN A 41 -1.024 11.331 -4.827 1.00 0.00 C ATOM 613 CD GLN A 41 -1.573 11.215 -6.253 1.00 0.00 C ATOM 614 OE1 GLN A 41 -0.995 10.519 -7.086 1.00 0.00 O ATOM 615 NE2 GLN A 41 -2.662 11.860 -6.588 1.00 0.00 N ATOM 0 H GLN A 41 2.864 12.316 -4.990 1.00 0.00 H new ATOM 0 HA GLN A 41 0.462 12.812 -6.545 1.00 0.00 H new ATOM 0 HB2 GLN A 41 0.966 10.652 -5.344 1.00 0.00 H new ATOM 0 HB3 GLN A 41 0.883 11.504 -3.815 1.00 0.00 H new ATOM 0 HG2 GLN A 41 -1.292 10.441 -4.257 1.00 0.00 H new ATOM 0 HG3 GLN A 41 -1.484 12.182 -4.325 1.00 0.00 H new ATOM 0 HE21 GLN A 41 -3.144 12.438 -5.900 1.00 0.00 H new ATOM 0 HE22 GLN A 41 -3.028 11.784 -7.537 1.00 0.00 H new ATOM 624 N ASN A 42 -0.497 14.794 -5.456 1.00 0.00 N ATOM 625 CA ASN A 42 -1.102 15.984 -4.862 1.00 0.00 C ATOM 626 C ASN A 42 -1.478 15.751 -3.390 1.00 0.00 C ATOM 627 O ASN A 42 -1.749 14.620 -2.989 1.00 0.00 O ATOM 628 CB ASN A 42 -2.358 16.370 -5.658 1.00 0.00 C ATOM 629 CG ASN A 42 -1.967 17.157 -6.903 1.00 0.00 C ATOM 630 OD1 ASN A 42 -1.450 16.587 -7.863 1.00 0.00 O ATOM 631 ND2 ASN A 42 -2.178 18.442 -6.943 1.00 0.00 N ATOM 0 H ASN A 42 -0.768 14.627 -6.425 1.00 0.00 H new ATOM 0 HA ASN A 42 -0.370 16.791 -4.899 1.00 0.00 H new ATOM 0 HB2 ASN A 42 -2.907 15.473 -5.943 1.00 0.00 H new ATOM 0 HB3 ASN A 42 -3.024 16.967 -5.035 1.00 0.00 H new ATOM 0 HD21 ASN A 42 -1.915 18.977 -7.771 1.00 0.00 H new ATOM 0 HD22 ASN A 42 -2.607 18.913 -6.147 1.00 0.00 H new ATOM 638 N PRO A 43 -1.508 16.797 -2.589 1.00 0.00 N ATOM 639 CA PRO A 43 -1.867 16.685 -1.150 1.00 0.00 C ATOM 640 C PRO A 43 -3.045 15.737 -0.935 1.00 0.00 C ATOM 641 O PRO A 43 -4.196 16.088 -1.197 1.00 0.00 O ATOM 642 CB PRO A 43 -2.228 18.125 -0.755 1.00 0.00 C ATOM 643 CG PRO A 43 -1.463 19.006 -1.698 1.00 0.00 C ATOM 644 CD PRO A 43 -1.197 18.188 -2.972 1.00 0.00 C ATOM 0 HA PRO A 43 -1.058 16.271 -0.548 1.00 0.00 H new ATOM 0 HB2 PRO A 43 -3.301 18.298 -0.841 1.00 0.00 H new ATOM 0 HB3 PRO A 43 -1.954 18.328 0.280 1.00 0.00 H new ATOM 0 HG2 PRO A 43 -2.032 19.906 -1.931 1.00 0.00 H new ATOM 0 HG3 PRO A 43 -0.525 19.330 -1.246 1.00 0.00 H new ATOM 0 HD2 PRO A 43 -1.826 18.523 -3.797 1.00 0.00 H new ATOM 0 HD3 PRO A 43 -0.162 18.288 -3.299 1.00 0.00 H new ATOM 652 N THR A 44 -2.744 14.537 -0.454 1.00 0.00 N ATOM 653 CA THR A 44 -3.776 13.528 -0.198 1.00 0.00 C ATOM 654 C THR A 44 -3.611 12.929 1.195 1.00 0.00 C ATOM 655 O THR A 44 -4.335 12.010 1.572 1.00 0.00 O ATOM 656 CB THR A 44 -3.694 12.427 -1.265 1.00 0.00 C ATOM 657 OG1 THR A 44 -2.340 12.038 -1.449 1.00 0.00 O ATOM 658 CG2 THR A 44 -4.260 12.939 -2.597 1.00 0.00 C ATOM 0 H THR A 44 -1.796 14.235 -0.232 1.00 0.00 H new ATOM 0 HA THR A 44 -4.755 14.005 -0.247 1.00 0.00 H new ATOM 0 HB THR A 44 -4.280 11.570 -0.932 1.00 0.00 H new ATOM 0 HG1 THR A 44 -1.879 12.708 -1.996 1.00 0.00 H new ATOM 0 HG21 THR A 44 -4.197 12.150 -3.346 1.00 0.00 H new ATOM 0 HG22 THR A 44 -5.302 13.229 -2.462 1.00 0.00 H new ATOM 0 HG23 THR A 44 -3.683 13.802 -2.930 1.00 0.00 H new ATOM 666 N GLU A 45 -2.671 13.475 1.960 1.00 0.00 N ATOM 667 CA GLU A 45 -2.417 13.001 3.318 1.00 0.00 C ATOM 668 C GLU A 45 -3.734 12.842 4.083 1.00 0.00 C ATOM 669 O GLU A 45 -3.833 12.042 5.020 1.00 0.00 O ATOM 670 CB GLU A 45 -1.501 13.996 4.043 1.00 0.00 C ATOM 671 CG GLU A 45 -1.205 13.502 5.464 1.00 0.00 C ATOM 672 CD GLU A 45 -0.229 14.445 6.162 1.00 0.00 C ATOM 673 OE1 GLU A 45 0.389 15.244 5.477 1.00 0.00 O ATOM 674 OE2 GLU A 45 -0.111 14.350 7.373 1.00 0.00 O ATOM 0 H GLU A 45 -2.072 14.246 1.664 1.00 0.00 H new ATOM 0 HA GLU A 45 -1.928 12.028 3.271 1.00 0.00 H new ATOM 0 HB2 GLU A 45 -0.569 14.114 3.490 1.00 0.00 H new ATOM 0 HB3 GLU A 45 -1.975 14.977 4.082 1.00 0.00 H new ATOM 0 HG2 GLU A 45 -2.132 13.440 6.035 1.00 0.00 H new ATOM 0 HG3 GLU A 45 -0.786 12.497 5.426 1.00 0.00 H new ATOM 681 N ALA A 46 -4.750 13.589 3.658 1.00 0.00 N ATOM 682 CA ALA A 46 -6.061 13.511 4.292 1.00 0.00 C ATOM 683 C ALA A 46 -6.790 12.249 3.835 1.00 0.00 C ATOM 684 O ALA A 46 -7.406 11.545 4.638 1.00 0.00 O ATOM 685 CB ALA A 46 -6.880 14.754 3.938 1.00 0.00 C ATOM 0 H ALA A 46 -4.691 14.250 2.883 1.00 0.00 H new ATOM 0 HA ALA A 46 -5.934 13.467 5.374 1.00 0.00 H new ATOM 0 HB1 ALA A 46 -7.859 14.692 4.413 1.00 0.00 H new ATOM 0 HB2 ALA A 46 -6.361 15.645 4.291 1.00 0.00 H new ATOM 0 HB3 ALA A 46 -7.005 14.812 2.857 1.00 0.00 H new ATOM 691 N GLU A 47 -6.699 11.970 2.538 1.00 0.00 N ATOM 692 CA GLU A 47 -7.332 10.792 1.953 1.00 0.00 C ATOM 693 C GLU A 47 -6.870 9.542 2.699 1.00 0.00 C ATOM 694 O GLU A 47 -7.678 8.689 3.067 1.00 0.00 O ATOM 695 CB GLU A 47 -6.949 10.700 0.465 1.00 0.00 C ATOM 696 CG GLU A 47 -7.689 9.538 -0.209 1.00 0.00 C ATOM 697 CD GLU A 47 -7.334 9.469 -1.699 1.00 0.00 C ATOM 698 OE1 GLU A 47 -6.155 9.517 -2.015 1.00 0.00 O ATOM 699 OE2 GLU A 47 -8.248 9.354 -2.501 1.00 0.00 O ATOM 0 H GLU A 47 -6.190 12.547 1.869 1.00 0.00 H new ATOM 0 HA GLU A 47 -8.416 10.870 2.038 1.00 0.00 H new ATOM 0 HB2 GLU A 47 -7.194 11.635 -0.038 1.00 0.00 H new ATOM 0 HB3 GLU A 47 -5.873 10.558 0.369 1.00 0.00 H new ATOM 0 HG2 GLU A 47 -7.425 8.599 0.278 1.00 0.00 H new ATOM 0 HG3 GLU A 47 -8.765 9.667 -0.091 1.00 0.00 H new ATOM 706 N LEU A 48 -5.558 9.451 2.931 1.00 0.00 N ATOM 707 CA LEU A 48 -4.990 8.311 3.645 1.00 0.00 C ATOM 708 C LEU A 48 -5.596 8.218 5.045 1.00 0.00 C ATOM 709 O LEU A 48 -6.147 7.190 5.426 1.00 0.00 O ATOM 710 CB LEU A 48 -3.467 8.492 3.752 1.00 0.00 C ATOM 711 CG LEU A 48 -2.795 8.088 2.434 1.00 0.00 C ATOM 712 CD1 LEU A 48 -3.470 8.802 1.265 1.00 0.00 C ATOM 713 CD2 LEU A 48 -1.315 8.480 2.476 1.00 0.00 C ATOM 0 H LEU A 48 -4.875 10.149 2.636 1.00 0.00 H new ATOM 0 HA LEU A 48 -5.215 7.394 3.101 1.00 0.00 H new ATOM 0 HB2 LEU A 48 -3.232 9.530 3.986 1.00 0.00 H new ATOM 0 HB3 LEU A 48 -3.077 7.885 4.569 1.00 0.00 H new ATOM 0 HG LEU A 48 -2.889 7.010 2.301 1.00 0.00 H new ATOM 0 HD11 LEU A 48 -2.987 8.510 0.332 1.00 0.00 H new ATOM 0 HD12 LEU A 48 -4.524 8.526 1.230 1.00 0.00 H new ATOM 0 HD13 LEU A 48 -3.381 9.880 1.397 1.00 0.00 H new ATOM 0 HD21 LEU A 48 -0.836 8.193 1.540 1.00 0.00 H new ATOM 0 HD22 LEU A 48 -1.228 9.558 2.613 1.00 0.00 H new ATOM 0 HD23 LEU A 48 -0.826 7.968 3.305 1.00 0.00 H new ATOM 725 N GLN A 49 -5.490 9.308 5.803 1.00 0.00 N ATOM 726 CA GLN A 49 -6.033 9.337 7.164 1.00 0.00 C ATOM 727 C GLN A 49 -7.440 8.747 7.199 1.00 0.00 C ATOM 728 O GLN A 49 -7.786 7.990 8.104 1.00 0.00 O ATOM 729 CB GLN A 49 -6.076 10.781 7.666 1.00 0.00 C ATOM 730 CG GLN A 49 -4.655 11.278 7.951 1.00 0.00 C ATOM 731 CD GLN A 49 -4.668 12.779 8.218 1.00 0.00 C ATOM 732 OE1 GLN A 49 -5.487 13.505 7.659 1.00 0.00 O ATOM 733 NE2 GLN A 49 -3.797 13.291 9.041 1.00 0.00 N ATOM 0 H GLN A 49 -5.040 10.173 5.505 1.00 0.00 H new ATOM 0 HA GLN A 49 -5.388 8.738 7.807 1.00 0.00 H new ATOM 0 HB2 GLN A 49 -6.551 11.420 6.922 1.00 0.00 H new ATOM 0 HB3 GLN A 49 -6.680 10.842 8.571 1.00 0.00 H new ATOM 0 HG2 GLN A 49 -4.243 10.751 8.812 1.00 0.00 H new ATOM 0 HG3 GLN A 49 -4.007 11.057 7.103 1.00 0.00 H new ATOM 0 HE21 GLN A 49 -3.118 12.688 9.505 1.00 0.00 H new ATOM 0 HE22 GLN A 49 -3.795 14.295 9.222 1.00 0.00 H new ATOM 742 N ASP A 50 -8.248 9.102 6.208 1.00 0.00 N ATOM 743 CA ASP A 50 -9.615 8.608 6.129 1.00 0.00 C ATOM 744 C ASP A 50 -9.658 7.163 5.631 1.00 0.00 C ATOM 745 O ASP A 50 -10.405 6.336 6.158 1.00 0.00 O ATOM 746 CB ASP A 50 -10.428 9.509 5.192 1.00 0.00 C ATOM 747 CG ASP A 50 -11.915 9.195 5.311 1.00 0.00 C ATOM 748 OD1 ASP A 50 -12.285 8.517 6.253 1.00 0.00 O ATOM 749 OD2 ASP A 50 -12.665 9.647 4.458 1.00 0.00 O ATOM 0 H ASP A 50 -7.980 9.729 5.449 1.00 0.00 H new ATOM 0 HA ASP A 50 -10.047 8.628 7.130 1.00 0.00 H new ATOM 0 HB2 ASP A 50 -10.250 10.556 5.439 1.00 0.00 H new ATOM 0 HB3 ASP A 50 -10.100 9.364 4.163 1.00 0.00 H new ATOM 754 N MET A 51 -8.857 6.865 4.611 1.00 0.00 N ATOM 755 CA MET A 51 -8.828 5.517 4.044 1.00 0.00 C ATOM 756 C MET A 51 -8.332 4.502 5.067 1.00 0.00 C ATOM 757 O MET A 51 -8.954 3.462 5.268 1.00 0.00 O ATOM 758 CB MET A 51 -7.911 5.493 2.812 1.00 0.00 C ATOM 759 CG MET A 51 -8.621 6.144 1.620 1.00 0.00 C ATOM 760 SD MET A 51 -9.997 5.093 1.086 1.00 0.00 S ATOM 761 CE MET A 51 -10.940 6.363 0.208 1.00 0.00 C ATOM 0 H MET A 51 -8.226 7.529 4.163 1.00 0.00 H new ATOM 0 HA MET A 51 -9.844 5.247 3.755 1.00 0.00 H new ATOM 0 HB2 MET A 51 -6.984 6.023 3.028 1.00 0.00 H new ATOM 0 HB3 MET A 51 -7.641 4.465 2.569 1.00 0.00 H new ATOM 0 HG2 MET A 51 -8.990 7.131 1.898 1.00 0.00 H new ATOM 0 HG3 MET A 51 -7.919 6.286 0.799 1.00 0.00 H new ATOM 0 HE1 MET A 51 -11.846 5.921 -0.208 1.00 0.00 H new ATOM 0 HE2 MET A 51 -11.210 7.160 0.901 1.00 0.00 H new ATOM 0 HE3 MET A 51 -10.333 6.774 -0.599 1.00 0.00 H new ATOM 771 N ILE A 52 -7.226 4.815 5.724 1.00 0.00 N ATOM 772 CA ILE A 52 -6.673 3.923 6.728 1.00 0.00 C ATOM 773 C ILE A 52 -7.657 3.775 7.888 1.00 0.00 C ATOM 774 O ILE A 52 -7.871 2.675 8.390 1.00 0.00 O ATOM 775 CB ILE A 52 -5.319 4.457 7.223 1.00 0.00 C ATOM 776 CG1 ILE A 52 -4.234 4.111 6.192 1.00 0.00 C ATOM 777 CG2 ILE A 52 -4.964 3.818 8.571 1.00 0.00 C ATOM 778 CD1 ILE A 52 -2.919 4.804 6.561 1.00 0.00 C ATOM 0 H ILE A 52 -6.697 5.675 5.581 1.00 0.00 H new ATOM 0 HA ILE A 52 -6.510 2.941 6.285 1.00 0.00 H new ATOM 0 HB ILE A 52 -5.381 5.538 7.348 1.00 0.00 H new ATOM 0 HG12 ILE A 52 -4.087 3.032 6.155 1.00 0.00 H new ATOM 0 HG13 ILE A 52 -4.553 4.424 5.198 1.00 0.00 H new ATOM 0 HG21 ILE A 52 -4.003 4.202 8.914 1.00 0.00 H new ATOM 0 HG22 ILE A 52 -5.734 4.061 9.303 1.00 0.00 H new ATOM 0 HG23 ILE A 52 -4.902 2.736 8.456 1.00 0.00 H new ATOM 0 HD11 ILE A 52 -2.156 4.553 5.824 1.00 0.00 H new ATOM 0 HD12 ILE A 52 -3.068 5.884 6.575 1.00 0.00 H new ATOM 0 HD13 ILE A 52 -2.596 4.470 7.547 1.00 0.00 H new ATOM 790 N ASN A 53 -8.240 4.892 8.302 1.00 0.00 N ATOM 791 CA ASN A 53 -9.196 4.892 9.406 1.00 0.00 C ATOM 792 C ASN A 53 -10.279 3.832 9.191 1.00 0.00 C ATOM 793 O ASN A 53 -10.704 3.168 10.136 1.00 0.00 O ATOM 794 CB ASN A 53 -9.844 6.277 9.517 1.00 0.00 C ATOM 795 CG ASN A 53 -10.914 6.276 10.601 1.00 0.00 C ATOM 796 OD1 ASN A 53 -11.184 5.241 11.209 1.00 0.00 O ATOM 797 ND2 ASN A 53 -11.548 7.381 10.880 1.00 0.00 N ATOM 0 H ASN A 53 -8.069 5.810 7.892 1.00 0.00 H new ATOM 0 HA ASN A 53 -8.664 4.656 10.328 1.00 0.00 H new ATOM 0 HB2 ASN A 53 -9.084 7.024 9.747 1.00 0.00 H new ATOM 0 HB3 ASN A 53 -10.286 6.557 8.561 1.00 0.00 H new ATOM 0 HD21 ASN A 53 -12.268 7.387 11.602 1.00 0.00 H new ATOM 0 HD22 ASN A 53 -11.324 8.239 10.376 1.00 0.00 H new ATOM 804 N GLU A 54 -10.728 3.682 7.946 1.00 0.00 N ATOM 805 CA GLU A 54 -11.767 2.703 7.627 1.00 0.00 C ATOM 806 C GLU A 54 -11.221 1.275 7.672 1.00 0.00 C ATOM 807 O GLU A 54 -11.797 0.402 8.322 1.00 0.00 O ATOM 808 CB GLU A 54 -12.341 2.992 6.233 1.00 0.00 C ATOM 809 CG GLU A 54 -13.516 2.046 5.950 1.00 0.00 C ATOM 810 CD GLU A 54 -14.131 2.343 4.582 1.00 0.00 C ATOM 811 OE1 GLU A 54 -13.564 3.146 3.857 1.00 0.00 O ATOM 812 OE2 GLU A 54 -15.164 1.766 4.281 1.00 0.00 O ATOM 0 H GLU A 54 -10.392 4.221 7.147 1.00 0.00 H new ATOM 0 HA GLU A 54 -12.554 2.789 8.377 1.00 0.00 H new ATOM 0 HB2 GLU A 54 -12.674 4.028 6.174 1.00 0.00 H new ATOM 0 HB3 GLU A 54 -11.567 2.862 5.477 1.00 0.00 H new ATOM 0 HG2 GLU A 54 -13.173 1.012 5.983 1.00 0.00 H new ATOM 0 HG3 GLU A 54 -14.273 2.156 6.726 1.00 0.00 H new ATOM 819 N VAL A 55 -10.117 1.030 6.963 1.00 0.00 N ATOM 820 CA VAL A 55 -9.526 -0.313 6.918 1.00 0.00 C ATOM 821 C VAL A 55 -8.451 -0.501 7.994 1.00 0.00 C ATOM 822 O VAL A 55 -7.569 -1.343 7.848 1.00 0.00 O ATOM 823 CB VAL A 55 -8.918 -0.572 5.532 1.00 0.00 C ATOM 824 CG1 VAL A 55 -9.958 -0.270 4.455 1.00 0.00 C ATOM 825 CG2 VAL A 55 -7.701 0.330 5.313 1.00 0.00 C ATOM 0 H VAL A 55 -9.618 1.733 6.418 1.00 0.00 H new ATOM 0 HA VAL A 55 -10.324 -1.029 7.113 1.00 0.00 H new ATOM 0 HB VAL A 55 -8.610 -1.616 5.473 1.00 0.00 H new ATOM 0 HG11 VAL A 55 -9.527 -0.454 3.471 1.00 0.00 H new ATOM 0 HG12 VAL A 55 -10.826 -0.914 4.597 1.00 0.00 H new ATOM 0 HG13 VAL A 55 -10.265 0.773 4.528 1.00 0.00 H new ATOM 0 HG21 VAL A 55 -7.278 0.138 4.327 1.00 0.00 H new ATOM 0 HG22 VAL A 55 -8.006 1.374 5.380 1.00 0.00 H new ATOM 0 HG23 VAL A 55 -6.951 0.121 6.076 1.00 0.00 H new ATOM 835 N ASP A 56 -8.526 0.272 9.072 1.00 0.00 N ATOM 836 CA ASP A 56 -7.545 0.156 10.152 1.00 0.00 C ATOM 837 C ASP A 56 -7.653 -1.210 10.846 1.00 0.00 C ATOM 838 O ASP A 56 -6.661 -1.763 11.317 1.00 0.00 O ATOM 839 CB ASP A 56 -7.754 1.277 11.174 1.00 0.00 C ATOM 840 CG ASP A 56 -6.495 1.459 12.017 1.00 0.00 C ATOM 841 OD1 ASP A 56 -5.491 1.881 11.463 1.00 0.00 O ATOM 842 OD2 ASP A 56 -6.553 1.183 13.202 1.00 0.00 O ATOM 0 H ASP A 56 -9.246 0.979 9.224 1.00 0.00 H new ATOM 0 HA ASP A 56 -6.549 0.245 9.719 1.00 0.00 H new ATOM 0 HB2 ASP A 56 -7.995 2.208 10.660 1.00 0.00 H new ATOM 0 HB3 ASP A 56 -8.601 1.040 11.818 1.00 0.00 H new ATOM 847 N ALA A 57 -8.869 -1.743 10.907 1.00 0.00 N ATOM 848 CA ALA A 57 -9.121 -3.040 11.533 1.00 0.00 C ATOM 849 C ALA A 57 -8.849 -2.991 13.038 1.00 0.00 C ATOM 850 O ALA A 57 -9.764 -3.140 13.847 1.00 0.00 O ATOM 851 CB ALA A 57 -8.244 -4.112 10.877 1.00 0.00 C ATOM 0 H ALA A 57 -9.703 -1.294 10.528 1.00 0.00 H new ATOM 0 HA ALA A 57 -10.172 -3.290 11.388 1.00 0.00 H new ATOM 0 HB1 ALA A 57 -8.436 -5.077 11.347 1.00 0.00 H new ATOM 0 HB2 ALA A 57 -8.478 -4.173 9.814 1.00 0.00 H new ATOM 0 HB3 ALA A 57 -7.194 -3.850 11.002 1.00 0.00 H new ATOM 857 N ASP A 58 -7.588 -2.787 13.415 1.00 0.00 N ATOM 858 CA ASP A 58 -7.219 -2.726 14.831 1.00 0.00 C ATOM 859 C ASP A 58 -7.690 -1.424 15.480 1.00 0.00 C ATOM 860 O ASP A 58 -7.934 -1.375 16.685 1.00 0.00 O ATOM 861 CB ASP A 58 -5.699 -2.839 14.969 1.00 0.00 C ATOM 862 CG ASP A 58 -5.318 -3.192 16.407 1.00 0.00 C ATOM 863 OD1 ASP A 58 -5.701 -2.453 17.301 1.00 0.00 O ATOM 864 OD2 ASP A 58 -4.644 -4.195 16.592 1.00 0.00 O ATOM 0 H ASP A 58 -6.810 -2.662 12.768 1.00 0.00 H new ATOM 0 HA ASP A 58 -7.708 -3.556 15.341 1.00 0.00 H new ATOM 0 HB2 ASP A 58 -5.322 -3.602 14.288 1.00 0.00 H new ATOM 0 HB3 ASP A 58 -5.231 -1.897 14.683 1.00 0.00 H new ATOM 869 N GLY A 59 -7.777 -0.362 14.685 1.00 0.00 N ATOM 870 CA GLY A 59 -8.178 0.946 15.207 1.00 0.00 C ATOM 871 C GLY A 59 -6.975 1.659 15.814 1.00 0.00 C ATOM 872 O GLY A 59 -7.114 2.665 16.515 1.00 0.00 O ATOM 0 H GLY A 59 -7.578 -0.377 13.685 1.00 0.00 H new ATOM 0 HA2 GLY A 59 -8.603 1.551 14.406 1.00 0.00 H new ATOM 0 HA3 GLY A 59 -8.956 0.823 15.961 1.00 0.00 H new ATOM 876 N ASN A 60 -5.788 1.125 15.531 1.00 0.00 N ATOM 877 CA ASN A 60 -4.541 1.691 16.031 1.00 0.00 C ATOM 878 C ASN A 60 -4.071 2.839 15.135 1.00 0.00 C ATOM 879 O ASN A 60 -3.227 3.646 15.531 1.00 0.00 O ATOM 880 CB ASN A 60 -3.473 0.592 16.079 1.00 0.00 C ATOM 881 CG ASN A 60 -3.303 -0.044 14.702 1.00 0.00 C ATOM 882 OD1 ASN A 60 -3.901 0.407 13.726 1.00 0.00 O ATOM 883 ND2 ASN A 60 -2.517 -1.075 14.566 1.00 0.00 N ATOM 0 H ASN A 60 -5.666 0.294 14.953 1.00 0.00 H new ATOM 0 HA ASN A 60 -4.707 2.087 17.033 1.00 0.00 H new ATOM 0 HB2 ASN A 60 -2.524 1.012 16.412 1.00 0.00 H new ATOM 0 HB3 ASN A 60 -3.757 -0.169 16.806 1.00 0.00 H new ATOM 0 HD21 ASN A 60 -2.398 -1.508 13.650 1.00 0.00 H new ATOM 0 HD22 ASN A 60 -2.021 -1.449 15.375 1.00 0.00 H new ATOM 890 N GLY A 61 -4.625 2.905 13.927 1.00 0.00 N ATOM 891 CA GLY A 61 -4.260 3.951 12.975 1.00 0.00 C ATOM 892 C GLY A 61 -3.167 3.467 12.030 1.00 0.00 C ATOM 893 O GLY A 61 -2.579 4.255 11.288 1.00 0.00 O ATOM 0 H GLY A 61 -5.327 2.248 13.585 1.00 0.00 H new ATOM 0 HA2 GLY A 61 -5.138 4.248 12.401 1.00 0.00 H new ATOM 0 HA3 GLY A 61 -3.917 4.835 13.513 1.00 0.00 H new ATOM 897 N THR A 62 -2.899 2.159 12.060 1.00 0.00 N ATOM 898 CA THR A 62 -1.871 1.567 11.203 1.00 0.00 C ATOM 899 C THR A 62 -2.395 0.319 10.494 1.00 0.00 C ATOM 900 O THR A 62 -3.336 -0.329 10.956 1.00 0.00 O ATOM 901 CB THR A 62 -0.647 1.193 12.045 1.00 0.00 C ATOM 902 OG1 THR A 62 -0.999 0.169 12.962 1.00 0.00 O ATOM 903 CG2 THR A 62 -0.163 2.419 12.818 1.00 0.00 C ATOM 0 H THR A 62 -3.378 1.493 12.666 1.00 0.00 H new ATOM 0 HA THR A 62 -1.594 2.304 10.449 1.00 0.00 H new ATOM 0 HB THR A 62 0.148 0.839 11.389 1.00 0.00 H new ATOM 0 HG1 THR A 62 -0.216 -0.071 13.500 1.00 0.00 H new ATOM 0 HG21 THR A 62 0.708 2.151 13.417 1.00 0.00 H new ATOM 0 HG22 THR A 62 0.108 3.208 12.116 1.00 0.00 H new ATOM 0 HG23 THR A 62 -0.959 2.773 13.473 1.00 0.00 H new ATOM 911 N ILE A 63 -1.765 -0.016 9.364 1.00 0.00 N ATOM 912 CA ILE A 63 -2.159 -1.194 8.585 1.00 0.00 C ATOM 913 C ILE A 63 -1.192 -2.346 8.845 1.00 0.00 C ATOM 914 O ILE A 63 0.002 -2.252 8.546 1.00 0.00 O ATOM 915 CB ILE A 63 -2.160 -0.864 7.089 1.00 0.00 C ATOM 916 CG1 ILE A 63 -2.955 0.424 6.842 1.00 0.00 C ATOM 917 CG2 ILE A 63 -2.807 -2.008 6.308 1.00 0.00 C ATOM 918 CD1 ILE A 63 -4.339 0.325 7.490 1.00 0.00 C ATOM 0 H ILE A 63 -0.984 0.509 8.970 1.00 0.00 H new ATOM 0 HA ILE A 63 -3.163 -1.488 8.891 1.00 0.00 H new ATOM 0 HB ILE A 63 -1.131 -0.729 6.756 1.00 0.00 H new ATOM 0 HG12 ILE A 63 -2.414 1.278 7.251 1.00 0.00 H new ATOM 0 HG13 ILE A 63 -3.059 0.596 5.771 1.00 0.00 H new ATOM 0 HG21 ILE A 63 -2.806 -1.769 5.245 1.00 0.00 H new ATOM 0 HG22 ILE A 63 -2.244 -2.926 6.474 1.00 0.00 H new ATOM 0 HG23 ILE A 63 -3.834 -2.145 6.648 1.00 0.00 H new ATOM 0 HD11 ILE A 63 -4.893 1.246 7.307 1.00 0.00 H new ATOM 0 HD12 ILE A 63 -4.882 -0.517 7.061 1.00 0.00 H new ATOM 0 HD13 ILE A 63 -4.228 0.175 8.564 1.00 0.00 H new ATOM 930 N ASP A 64 -1.719 -3.421 9.424 1.00 0.00 N ATOM 931 CA ASP A 64 -0.906 -4.588 9.749 1.00 0.00 C ATOM 932 C ASP A 64 -0.579 -5.408 8.498 1.00 0.00 C ATOM 933 O ASP A 64 -1.033 -5.103 7.395 1.00 0.00 O ATOM 934 CB ASP A 64 -1.646 -5.461 10.766 1.00 0.00 C ATOM 935 CG ASP A 64 -1.729 -4.742 12.107 1.00 0.00 C ATOM 936 OD1 ASP A 64 -1.010 -3.769 12.279 1.00 0.00 O ATOM 937 OD2 ASP A 64 -2.512 -5.170 12.941 1.00 0.00 O ATOM 0 H ASP A 64 -2.703 -3.508 9.677 1.00 0.00 H new ATOM 0 HA ASP A 64 0.035 -4.240 10.176 1.00 0.00 H new ATOM 0 HB2 ASP A 64 -2.648 -5.687 10.402 1.00 0.00 H new ATOM 0 HB3 ASP A 64 -1.128 -6.413 10.886 1.00 0.00 H new ATOM 942 N PHE A 65 0.228 -6.444 8.692 1.00 0.00 N ATOM 943 CA PHE A 65 0.648 -7.321 7.598 1.00 0.00 C ATOM 944 C PHE A 65 -0.544 -7.837 6.773 1.00 0.00 C ATOM 945 O PHE A 65 -0.655 -7.535 5.576 1.00 0.00 O ATOM 946 CB PHE A 65 1.435 -8.520 8.183 1.00 0.00 C ATOM 947 CG PHE A 65 2.917 -8.258 8.123 1.00 0.00 C ATOM 948 CD1 PHE A 65 3.409 -7.000 8.477 1.00 0.00 C ATOM 949 CD2 PHE A 65 3.791 -9.266 7.712 1.00 0.00 C ATOM 950 CE1 PHE A 65 4.781 -6.748 8.421 1.00 0.00 C ATOM 951 CE2 PHE A 65 5.164 -9.016 7.653 1.00 0.00 C ATOM 952 CZ PHE A 65 5.660 -7.757 8.007 1.00 0.00 C ATOM 0 H PHE A 65 0.609 -6.701 9.603 1.00 0.00 H new ATOM 0 HA PHE A 65 1.279 -6.739 6.926 1.00 0.00 H new ATOM 0 HB2 PHE A 65 1.132 -8.693 9.216 1.00 0.00 H new ATOM 0 HB3 PHE A 65 1.197 -9.426 7.625 1.00 0.00 H new ATOM 0 HD1 PHE A 65 2.729 -6.223 8.794 1.00 0.00 H new ATOM 0 HD2 PHE A 65 3.406 -10.238 7.440 1.00 0.00 H new ATOM 0 HE1 PHE A 65 5.164 -5.777 8.696 1.00 0.00 H new ATOM 0 HE2 PHE A 65 5.842 -9.794 7.334 1.00 0.00 H new ATOM 0 HZ PHE A 65 6.721 -7.563 7.961 1.00 0.00 H new ATOM 962 N PRO A 66 -1.400 -8.638 7.366 1.00 0.00 N ATOM 963 CA PRO A 66 -2.567 -9.240 6.651 1.00 0.00 C ATOM 964 C PRO A 66 -3.487 -8.197 6.027 1.00 0.00 C ATOM 965 O PRO A 66 -3.890 -8.322 4.872 1.00 0.00 O ATOM 966 CB PRO A 66 -3.305 -10.044 7.746 1.00 0.00 C ATOM 967 CG PRO A 66 -2.793 -9.512 9.047 1.00 0.00 C ATOM 968 CD PRO A 66 -1.367 -9.051 8.779 1.00 0.00 C ATOM 0 HA PRO A 66 -2.242 -9.853 5.810 1.00 0.00 H new ATOM 0 HB2 PRO A 66 -4.384 -9.915 7.667 1.00 0.00 H new ATOM 0 HB3 PRO A 66 -3.104 -11.111 7.652 1.00 0.00 H new ATOM 0 HG2 PRO A 66 -3.410 -8.686 9.401 1.00 0.00 H new ATOM 0 HG3 PRO A 66 -2.816 -10.281 9.819 1.00 0.00 H new ATOM 0 HD2 PRO A 66 -1.082 -8.226 9.432 1.00 0.00 H new ATOM 0 HD3 PRO A 66 -0.648 -9.853 8.946 1.00 0.00 H new ATOM 976 N GLU A 67 -3.828 -7.179 6.804 1.00 0.00 N ATOM 977 CA GLU A 67 -4.723 -6.132 6.329 1.00 0.00 C ATOM 978 C GLU A 67 -4.317 -5.663 4.938 1.00 0.00 C ATOM 979 O GLU A 67 -5.134 -5.628 4.019 1.00 0.00 O ATOM 980 CB GLU A 67 -4.677 -4.952 7.293 1.00 0.00 C ATOM 981 CG GLU A 67 -5.099 -5.425 8.681 1.00 0.00 C ATOM 982 CD GLU A 67 -4.956 -4.283 9.674 1.00 0.00 C ATOM 983 OE1 GLU A 67 -4.786 -3.160 9.229 1.00 0.00 O ATOM 984 OE2 GLU A 67 -5.000 -4.548 10.863 1.00 0.00 O ATOM 0 H GLU A 67 -3.501 -7.055 7.762 1.00 0.00 H new ATOM 0 HA GLU A 67 -5.734 -6.535 6.279 1.00 0.00 H new ATOM 0 HB2 GLU A 67 -3.671 -4.534 7.328 1.00 0.00 H new ATOM 0 HB3 GLU A 67 -5.340 -4.159 6.948 1.00 0.00 H new ATOM 0 HG2 GLU A 67 -6.131 -5.774 8.659 1.00 0.00 H new ATOM 0 HG3 GLU A 67 -4.483 -6.269 8.991 1.00 0.00 H new ATOM 991 N PHE A 68 -3.047 -5.307 4.790 1.00 0.00 N ATOM 992 CA PHE A 68 -2.537 -4.843 3.508 1.00 0.00 C ATOM 993 C PHE A 68 -2.665 -5.940 2.457 1.00 0.00 C ATOM 994 O PHE A 68 -3.166 -5.714 1.358 1.00 0.00 O ATOM 995 CB PHE A 68 -1.072 -4.434 3.652 1.00 0.00 C ATOM 996 CG PHE A 68 -0.543 -3.980 2.313 1.00 0.00 C ATOM 997 CD1 PHE A 68 -0.142 -4.924 1.363 1.00 0.00 C ATOM 998 CD2 PHE A 68 -0.440 -2.613 2.028 1.00 0.00 C ATOM 999 CE1 PHE A 68 0.359 -4.505 0.126 1.00 0.00 C ATOM 1000 CE2 PHE A 68 0.059 -2.194 0.790 1.00 0.00 C ATOM 1001 CZ PHE A 68 0.460 -3.140 -0.161 1.00 0.00 C ATOM 0 H PHE A 68 -2.355 -5.331 5.539 1.00 0.00 H new ATOM 0 HA PHE A 68 -3.123 -3.981 3.189 1.00 0.00 H new ATOM 0 HB2 PHE A 68 -0.977 -3.632 4.384 1.00 0.00 H new ATOM 0 HB3 PHE A 68 -0.483 -5.274 4.022 1.00 0.00 H new ATOM 0 HD1 PHE A 68 -0.219 -5.978 1.584 1.00 0.00 H new ATOM 0 HD2 PHE A 68 -0.745 -1.883 2.763 1.00 0.00 H new ATOM 0 HE1 PHE A 68 0.668 -5.235 -0.607 1.00 0.00 H new ATOM 0 HE2 PHE A 68 0.135 -1.140 0.568 1.00 0.00 H new ATOM 0 HZ PHE A 68 0.847 -2.816 -1.116 1.00 0.00 H new ATOM 1011 N LEU A 69 -2.216 -7.134 2.814 1.00 0.00 N ATOM 1012 CA LEU A 69 -2.278 -8.266 1.903 1.00 0.00 C ATOM 1013 C LEU A 69 -3.705 -8.465 1.394 1.00 0.00 C ATOM 1014 O LEU A 69 -3.922 -9.012 0.309 1.00 0.00 O ATOM 1015 CB LEU A 69 -1.782 -9.528 2.630 1.00 0.00 C ATOM 1016 CG LEU A 69 -2.144 -10.801 1.828 1.00 0.00 C ATOM 1017 CD1 LEU A 69 -1.019 -11.827 1.953 1.00 0.00 C ATOM 1018 CD2 LEU A 69 -3.440 -11.412 2.386 1.00 0.00 C ATOM 0 H LEU A 69 -1.806 -7.343 3.724 1.00 0.00 H new ATOM 0 HA LEU A 69 -1.638 -8.072 1.042 1.00 0.00 H new ATOM 0 HB2 LEU A 69 -0.702 -9.474 2.767 1.00 0.00 H new ATOM 0 HB3 LEU A 69 -2.227 -9.580 3.624 1.00 0.00 H new ATOM 0 HG LEU A 69 -2.283 -10.533 0.781 1.00 0.00 H new ATOM 0 HD11 LEU A 69 -1.278 -12.722 1.387 1.00 0.00 H new ATOM 0 HD12 LEU A 69 -0.095 -11.403 1.560 1.00 0.00 H new ATOM 0 HD13 LEU A 69 -0.880 -12.089 3.002 1.00 0.00 H new ATOM 0 HD21 LEU A 69 -3.693 -12.308 1.820 1.00 0.00 H new ATOM 0 HD22 LEU A 69 -3.297 -11.674 3.434 1.00 0.00 H new ATOM 0 HD23 LEU A 69 -4.250 -10.688 2.300 1.00 0.00 H new ATOM 1030 N THR A 70 -4.675 -8.043 2.193 1.00 0.00 N ATOM 1031 CA THR A 70 -6.083 -8.201 1.828 1.00 0.00 C ATOM 1032 C THR A 70 -6.578 -7.053 0.951 1.00 0.00 C ATOM 1033 O THR A 70 -6.840 -7.238 -0.236 1.00 0.00 O ATOM 1034 CB THR A 70 -6.936 -8.286 3.096 1.00 0.00 C ATOM 1035 OG1 THR A 70 -6.473 -9.355 3.907 1.00 0.00 O ATOM 1036 CG2 THR A 70 -8.398 -8.534 2.722 1.00 0.00 C ATOM 0 H THR A 70 -4.518 -7.591 3.094 1.00 0.00 H new ATOM 0 HA THR A 70 -6.176 -9.121 1.252 1.00 0.00 H new ATOM 0 HB THR A 70 -6.857 -7.347 3.644 1.00 0.00 H new ATOM 0 HG1 THR A 70 -5.609 -9.115 4.302 1.00 0.00 H new ATOM 0 HG21 THR A 70 -9.000 -8.594 3.628 1.00 0.00 H new ATOM 0 HG22 THR A 70 -8.758 -7.715 2.100 1.00 0.00 H new ATOM 0 HG23 THR A 70 -8.479 -9.471 2.171 1.00 0.00 H new ATOM 1205 N ALA B 48 -8.912 4.736 -2.324 1.00 0.00 N ATOM 1206 CA ALA B 48 -9.031 3.350 -1.865 1.00 0.00 C ATOM 1207 C ALA B 48 -8.207 2.383 -2.728 1.00 0.00 C ATOM 1208 O ALA B 48 -6.992 2.275 -2.564 1.00 0.00 O ATOM 1209 CB ALA B 48 -10.506 2.934 -1.863 1.00 0.00 C ATOM 0 HA ALA B 48 -8.632 3.298 -0.852 1.00 0.00 H new ATOM 0 HB1 ALA B 48 -10.593 1.903 -1.521 1.00 0.00 H new ATOM 0 HB2 ALA B 48 -11.067 3.586 -1.194 1.00 0.00 H new ATOM 0 HB3 ALA B 48 -10.909 3.017 -2.872 1.00 0.00 H new ATOM 1215 N ALA B 49 -8.880 1.664 -3.626 1.00 0.00 N ATOM 1216 CA ALA B 49 -8.204 0.693 -4.494 1.00 0.00 C ATOM 1217 C ALA B 49 -7.166 1.376 -5.383 1.00 0.00 C ATOM 1218 O ALA B 49 -6.049 0.888 -5.540 1.00 0.00 O ATOM 1219 CB ALA B 49 -9.243 -0.014 -5.366 1.00 0.00 C ATOM 0 H ALA B 49 -9.887 1.733 -3.773 1.00 0.00 H new ATOM 0 HA ALA B 49 -7.687 -0.032 -3.865 1.00 0.00 H new ATOM 0 HB1 ALA B 49 -8.745 -0.736 -6.012 1.00 0.00 H new ATOM 0 HB2 ALA B 49 -9.961 -0.531 -4.729 1.00 0.00 H new ATOM 0 HB3 ALA B 49 -9.765 0.721 -5.978 1.00 0.00 H new ATOM 1225 N LEU B 50 -7.546 2.512 -5.958 1.00 0.00 N ATOM 1226 CA LEU B 50 -6.648 3.270 -6.825 1.00 0.00 C ATOM 1227 C LEU B 50 -5.449 3.770 -6.033 1.00 0.00 C ATOM 1228 O LEU B 50 -4.320 3.768 -6.519 1.00 0.00 O ATOM 1229 CB LEU B 50 -7.411 4.461 -7.430 1.00 0.00 C ATOM 1230 CG LEU B 50 -8.237 3.994 -8.642 1.00 0.00 C ATOM 1231 CD1 LEU B 50 -9.449 4.910 -8.826 1.00 0.00 C ATOM 1232 CD2 LEU B 50 -7.375 4.056 -9.905 1.00 0.00 C ATOM 0 H LEU B 50 -8.469 2.929 -5.840 1.00 0.00 H new ATOM 0 HA LEU B 50 -6.290 2.622 -7.625 1.00 0.00 H new ATOM 0 HB2 LEU B 50 -8.067 4.902 -6.680 1.00 0.00 H new ATOM 0 HB3 LEU B 50 -6.709 5.237 -7.735 1.00 0.00 H new ATOM 0 HG LEU B 50 -8.571 2.971 -8.470 1.00 0.00 H new ATOM 0 HD11 LEU B 50 -10.031 4.576 -9.685 1.00 0.00 H new ATOM 0 HD12 LEU B 50 -10.070 4.875 -7.931 1.00 0.00 H new ATOM 0 HD13 LEU B 50 -9.110 5.932 -8.993 1.00 0.00 H new ATOM 0 HD21 LEU B 50 -7.961 3.725 -10.762 1.00 0.00 H new ATOM 0 HD22 LEU B 50 -7.041 5.081 -10.068 1.00 0.00 H new ATOM 0 HD23 LEU B 50 -6.508 3.406 -9.786 1.00 0.00 H new ATOM 1244 N SER B 51 -5.711 4.208 -4.811 1.00 0.00 N ATOM 1245 CA SER B 51 -4.654 4.720 -3.947 1.00 0.00 C ATOM 1246 C SER B 51 -3.600 3.650 -3.704 1.00 0.00 C ATOM 1247 O SER B 51 -2.399 3.895 -3.844 1.00 0.00 O ATOM 1248 CB SER B 51 -5.257 5.145 -2.613 1.00 0.00 C ATOM 1249 OG SER B 51 -4.219 5.274 -1.651 1.00 0.00 O ATOM 0 H SER B 51 -6.642 4.220 -4.395 1.00 0.00 H new ATOM 0 HA SER B 51 -4.183 5.574 -4.434 1.00 0.00 H new ATOM 0 HB2 SER B 51 -5.786 6.092 -2.724 1.00 0.00 H new ATOM 0 HB3 SER B 51 -5.988 4.409 -2.280 1.00 0.00 H new ATOM 0 HG SER B 51 -4.602 5.549 -0.792 1.00 0.00 H new ATOM 1255 N TRP B 52 -4.063 2.459 -3.355 1.00 0.00 N ATOM 1256 CA TRP B 52 -3.172 1.343 -3.101 1.00 0.00 C ATOM 1257 C TRP B 52 -2.571 0.829 -4.413 1.00 0.00 C ATOM 1258 O TRP B 52 -1.365 0.597 -4.509 1.00 0.00 O ATOM 1259 CB TRP B 52 -3.953 0.227 -2.394 1.00 0.00 C ATOM 1260 CG TRP B 52 -4.151 0.565 -0.947 1.00 0.00 C ATOM 1261 CD1 TRP B 52 -5.354 0.705 -0.340 1.00 0.00 C ATOM 1262 CD2 TRP B 52 -3.147 0.805 0.084 1.00 0.00 C ATOM 1263 NE1 TRP B 52 -5.151 1.011 0.995 1.00 0.00 N ATOM 1264 CE2 TRP B 52 -3.810 1.085 1.303 1.00 0.00 C ATOM 1265 CE3 TRP B 52 -1.739 0.808 0.083 1.00 0.00 C ATOM 1266 CZ2 TRP B 52 -3.106 1.356 2.476 1.00 0.00 C ATOM 1267 CZ3 TRP B 52 -1.028 1.080 1.262 1.00 0.00 C ATOM 1268 CH2 TRP B 52 -1.707 1.353 2.455 1.00 0.00 C ATOM 0 H TRP B 52 -5.053 2.243 -3.242 1.00 0.00 H new ATOM 0 HA TRP B 52 -2.353 1.672 -2.461 1.00 0.00 H new ATOM 0 HB2 TRP B 52 -4.920 0.088 -2.877 1.00 0.00 H new ATOM 0 HB3 TRP B 52 -3.414 -0.716 -2.483 1.00 0.00 H new ATOM 0 HD1 TRP B 52 -6.315 0.596 -0.820 1.00 0.00 H new ATOM 0 HE1 TRP B 52 -5.902 1.163 1.668 1.00 0.00 H new ATOM 0 HE3 TRP B 52 -1.203 0.600 -0.831 1.00 0.00 H new ATOM 0 HZ2 TRP B 52 -3.636 1.566 3.393 1.00 0.00 H new ATOM 0 HZ3 TRP B 52 0.052 1.079 1.249 1.00 0.00 H new ATOM 0 HH2 TRP B 52 -1.152 1.561 3.358 1.00 0.00 H new ATOM 1279 N GLN B 53 -3.421 0.655 -5.420 1.00 0.00 N ATOM 1280 CA GLN B 53 -2.966 0.164 -6.720 1.00 0.00 C ATOM 1281 C GLN B 53 -1.932 1.105 -7.342 1.00 0.00 C ATOM 1282 O GLN B 53 -0.875 0.660 -7.792 1.00 0.00 O ATOM 1283 CB GLN B 53 -4.164 0.019 -7.668 1.00 0.00 C ATOM 1284 CG GLN B 53 -3.696 -0.560 -9.011 1.00 0.00 C ATOM 1285 CD GLN B 53 -3.107 0.542 -9.888 1.00 0.00 C ATOM 1286 OE1 GLN B 53 -3.590 1.674 -9.875 1.00 0.00 O ATOM 1287 NE2 GLN B 53 -2.081 0.278 -10.647 1.00 0.00 N ATOM 0 H GLN B 53 -4.422 0.844 -5.364 1.00 0.00 H new ATOM 0 HA GLN B 53 -2.494 -0.807 -6.567 1.00 0.00 H new ATOM 0 HB2 GLN B 53 -4.915 -0.633 -7.222 1.00 0.00 H new ATOM 0 HB3 GLN B 53 -4.636 0.989 -7.824 1.00 0.00 H new ATOM 0 HG2 GLN B 53 -2.949 -1.336 -8.840 1.00 0.00 H new ATOM 0 HG3 GLN B 53 -4.535 -1.032 -9.523 1.00 0.00 H new ATOM 0 HE21 GLN B 53 -1.682 -0.661 -10.657 1.00 0.00 H new ATOM 0 HE22 GLN B 53 -1.677 1.010 -11.231 1.00 0.00 H new ATOM 1296 N ALA B 54 -2.240 2.400 -7.373 1.00 0.00 N ATOM 1297 CA ALA B 54 -1.322 3.385 -7.953 1.00 0.00 C ATOM 1298 C ALA B 54 -0.012 3.450 -7.166 1.00 0.00 C ATOM 1299 O ALA B 54 1.065 3.598 -7.746 1.00 0.00 O ATOM 1300 CB ALA B 54 -1.984 4.766 -7.966 1.00 0.00 C ATOM 0 H ALA B 54 -3.108 2.791 -7.008 1.00 0.00 H new ATOM 0 HA ALA B 54 -1.093 3.077 -8.973 1.00 0.00 H new ATOM 0 HB1 ALA B 54 -1.298 5.494 -8.398 1.00 0.00 H new ATOM 0 HB2 ALA B 54 -2.895 4.727 -8.563 1.00 0.00 H new ATOM 0 HB3 ALA B 54 -2.231 5.061 -6.946 1.00 0.00 H new ATOM 1306 N ALA B 55 -0.110 3.345 -5.843 1.00 0.00 N ATOM 1307 CA ALA B 55 1.075 3.397 -4.988 1.00 0.00 C ATOM 1308 C ALA B 55 2.008 2.223 -5.282 1.00 0.00 C ATOM 1309 O ALA B 55 3.225 2.390 -5.382 1.00 0.00 O ATOM 1310 CB ALA B 55 0.646 3.361 -3.518 1.00 0.00 C ATOM 0 H ALA B 55 -0.990 3.224 -5.342 1.00 0.00 H new ATOM 0 HA ALA B 55 1.612 4.323 -5.192 1.00 0.00 H new ATOM 0 HB1 ALA B 55 1.529 3.400 -2.880 1.00 0.00 H new ATOM 0 HB2 ALA B 55 0.006 4.217 -3.305 1.00 0.00 H new ATOM 0 HB3 ALA B 55 0.097 2.440 -3.322 1.00 0.00 H new ATOM 1316 N ILE B 56 1.427 1.035 -5.425 1.00 0.00 N ATOM 1317 CA ILE B 56 2.207 -0.168 -5.712 1.00 0.00 C ATOM 1318 C ILE B 56 2.891 -0.052 -7.073 1.00 0.00 C ATOM 1319 O ILE B 56 4.065 -0.396 -7.223 1.00 0.00 O ATOM 1320 CB ILE B 56 1.281 -1.393 -5.694 1.00 0.00 C ATOM 1321 CG1 ILE B 56 0.799 -1.645 -4.259 1.00 0.00 C ATOM 1322 CG2 ILE B 56 2.034 -2.625 -6.202 1.00 0.00 C ATOM 1323 CD1 ILE B 56 -0.354 -2.652 -4.271 1.00 0.00 C ATOM 0 H ILE B 56 0.422 0.878 -5.347 1.00 0.00 H new ATOM 0 HA ILE B 56 2.977 -0.281 -4.949 1.00 0.00 H new ATOM 0 HB ILE B 56 0.425 -1.205 -6.342 1.00 0.00 H new ATOM 0 HG12 ILE B 56 1.620 -2.025 -3.651 1.00 0.00 H new ATOM 0 HG13 ILE B 56 0.473 -0.709 -3.805 1.00 0.00 H new ATOM 0 HG21 ILE B 56 1.370 -3.489 -6.186 1.00 0.00 H new ATOM 0 HG22 ILE B 56 2.375 -2.448 -7.222 1.00 0.00 H new ATOM 0 HG23 ILE B 56 2.894 -2.816 -5.560 1.00 0.00 H new ATOM 0 HD11 ILE B 56 -0.694 -2.828 -3.250 1.00 0.00 H new ATOM 0 HD12 ILE B 56 -1.178 -2.255 -4.864 1.00 0.00 H new ATOM 0 HD13 ILE B 56 -0.013 -3.591 -4.707 1.00 0.00 H new ATOM 1335 N ASP B 57 2.145 0.431 -8.060 1.00 0.00 N ATOM 1336 CA ASP B 57 2.675 0.591 -9.409 1.00 0.00 C ATOM 1337 C ASP B 57 3.856 1.560 -9.415 1.00 0.00 C ATOM 1338 O ASP B 57 4.914 1.265 -9.971 1.00 0.00 O ATOM 1339 CB ASP B 57 1.566 1.112 -10.330 1.00 0.00 C ATOM 1340 CG ASP B 57 2.128 1.385 -11.718 1.00 0.00 C ATOM 1341 OD1 ASP B 57 3.239 0.960 -11.978 1.00 0.00 O ATOM 1342 OD2 ASP B 57 1.434 2.014 -12.499 1.00 0.00 O ATOM 0 H ASP B 57 1.172 0.718 -7.952 1.00 0.00 H new ATOM 0 HA ASP B 57 3.026 -0.377 -9.768 1.00 0.00 H new ATOM 0 HB2 ASP B 57 0.760 0.381 -10.392 1.00 0.00 H new ATOM 0 HB3 ASP B 57 1.137 2.025 -9.916 1.00 0.00 H new ATOM 1347 N ALA B 58 3.671 2.717 -8.789 1.00 0.00 N ATOM 1348 CA ALA B 58 4.729 3.717 -8.724 1.00 0.00 C ATOM 1349 C ALA B 58 5.891 3.214 -7.866 1.00 0.00 C ATOM 1350 O ALA B 58 7.057 3.431 -8.195 1.00 0.00 O ATOM 1351 CB ALA B 58 4.171 5.023 -8.151 1.00 0.00 C ATOM 0 H ALA B 58 2.804 2.984 -8.322 1.00 0.00 H new ATOM 0 HA ALA B 58 5.103 3.901 -9.731 1.00 0.00 H new ATOM 0 HB1 ALA B 58 4.965 5.768 -8.104 1.00 0.00 H new ATOM 0 HB2 ALA B 58 3.368 5.388 -8.792 1.00 0.00 H new ATOM 0 HB3 ALA B 58 3.782 4.844 -7.149 1.00 0.00 H new ATOM 1357 N ALA B 59 5.565 2.533 -6.769 1.00 0.00 N ATOM 1358 CA ALA B 59 6.588 1.995 -5.876 1.00 0.00 C ATOM 1359 C ALA B 59 7.436 0.961 -6.616 1.00 0.00 C ATOM 1360 O ALA B 59 8.661 0.931 -6.486 1.00 0.00 O ATOM 1361 CB ALA B 59 5.918 1.356 -4.654 1.00 0.00 C ATOM 0 H ALA B 59 4.606 2.342 -6.479 1.00 0.00 H new ATOM 0 HA ALA B 59 7.238 2.804 -5.543 1.00 0.00 H new ATOM 0 HB1 ALA B 59 6.682 0.955 -3.988 1.00 0.00 H new ATOM 0 HB2 ALA B 59 5.334 2.109 -4.124 1.00 0.00 H new ATOM 0 HB3 ALA B 59 5.261 0.550 -4.980 1.00 0.00 H new ATOM 1367 N ARG B 60 6.775 0.123 -7.402 1.00 0.00 N ATOM 1368 CA ARG B 60 7.463 -0.903 -8.174 1.00 0.00 C ATOM 1369 C ARG B 60 8.349 -0.281 -9.246 1.00 0.00 C ATOM 1370 O ARG B 60 9.457 -0.755 -9.498 1.00 0.00 O ATOM 1371 CB ARG B 60 6.427 -1.811 -8.828 1.00 0.00 C ATOM 1372 CG ARG B 60 5.745 -2.666 -7.747 1.00 0.00 C ATOM 1373 CD ARG B 60 6.551 -3.948 -7.528 1.00 0.00 C ATOM 1374 NE ARG B 60 6.537 -4.727 -8.760 1.00 0.00 N ATOM 1375 CZ ARG B 60 7.152 -5.893 -8.867 1.00 0.00 C ATOM 1376 NH1 ARG B 60 7.871 -6.357 -7.889 1.00 0.00 N ATOM 1377 NH2 ARG B 60 7.045 -6.566 -9.973 1.00 0.00 N ATOM 0 H ARG B 60 5.762 0.133 -7.522 1.00 0.00 H new ATOM 0 HA ARG B 60 8.099 -1.480 -7.502 1.00 0.00 H new ATOM 0 HB2 ARG B 60 5.685 -1.213 -9.357 1.00 0.00 H new ATOM 0 HB3 ARG B 60 6.905 -2.453 -9.568 1.00 0.00 H new ATOM 0 HG2 ARG B 60 5.674 -2.105 -6.815 1.00 0.00 H new ATOM 0 HG3 ARG B 60 4.727 -2.911 -8.050 1.00 0.00 H new ATOM 0 HD2 ARG B 60 7.576 -3.706 -7.246 1.00 0.00 H new ATOM 0 HD3 ARG B 60 6.123 -4.528 -6.710 1.00 0.00 H new ATOM 0 HE ARG B 60 6.035 -4.360 -9.568 1.00 0.00 H new ATOM 0 HH11 ARG B 60 7.966 -5.821 -7.027 1.00 0.00 H new ATOM 0 HH12 ARG B 60 8.340 -7.258 -7.984 1.00 0.00 H new ATOM 0 HH21 ARG B 60 6.492 -6.194 -10.745 1.00 0.00 H new ATOM 0 HH22 ARG B 60 7.514 -7.467 -10.069 1.00 0.00 H new ATOM 1391 N GLN B 61 7.855 0.783 -9.871 1.00 0.00 N ATOM 1392 CA GLN B 61 8.617 1.467 -10.912 1.00 0.00 C ATOM 1393 C GLN B 61 9.904 2.032 -10.319 1.00 0.00 C ATOM 1394 O GLN B 61 10.972 1.942 -10.924 1.00 0.00 O ATOM 1395 CB GLN B 61 7.782 2.602 -11.518 1.00 0.00 C ATOM 1396 CG GLN B 61 8.587 3.303 -12.621 1.00 0.00 C ATOM 1397 CD GLN B 61 7.712 4.313 -13.357 1.00 0.00 C ATOM 1398 OE1 GLN B 61 6.484 4.247 -13.282 1.00 0.00 O ATOM 1399 NE2 GLN B 61 8.272 5.249 -14.072 1.00 0.00 N ATOM 0 H GLN B 61 6.939 1.188 -9.678 1.00 0.00 H new ATOM 0 HA GLN B 61 8.865 0.753 -11.698 1.00 0.00 H new ATOM 0 HB2 GLN B 61 6.854 2.205 -11.928 1.00 0.00 H new ATOM 0 HB3 GLN B 61 7.507 3.318 -10.744 1.00 0.00 H new ATOM 0 HG2 GLN B 61 9.449 3.808 -12.186 1.00 0.00 H new ATOM 0 HG3 GLN B 61 8.972 2.565 -13.324 1.00 0.00 H new ATOM 0 HE21 GLN B 61 9.289 5.304 -14.134 1.00 0.00 H new ATOM 0 HE22 GLN B 61 7.693 5.926 -14.569 1.00 0.00 H new ATOM 1408 N ALA B 62 9.794 2.601 -9.121 1.00 0.00 N ATOM 1409 CA ALA B 62 10.954 3.169 -8.442 1.00 0.00 C ATOM 1410 C ALA B 62 11.990 2.081 -8.161 1.00 0.00 C ATOM 1411 O ALA B 62 13.178 2.254 -8.437 1.00 0.00 O ATOM 1412 CB ALA B 62 10.513 3.817 -7.127 1.00 0.00 C ATOM 0 H ALA B 62 8.919 2.681 -8.604 1.00 0.00 H new ATOM 0 HA ALA B 62 11.405 3.924 -9.085 1.00 0.00 H new ATOM 0 HB1 ALA B 62 11.381 4.241 -6.621 1.00 0.00 H new ATOM 0 HB2 ALA B 62 9.792 4.608 -7.335 1.00 0.00 H new ATOM 0 HB3 ALA B 62 10.052 3.065 -6.487 1.00 0.00 H new ATOM 1418 N LYS B 63 11.529 0.960 -7.615 1.00 0.00 N ATOM 1419 CA LYS B 63 12.421 -0.154 -7.305 1.00 0.00 C ATOM 1420 C LYS B 63 13.001 -0.749 -8.587 1.00 0.00 C ATOM 1421 O LYS B 63 14.151 -1.191 -8.615 1.00 0.00 O ATOM 1422 CB LYS B 63 11.655 -1.233 -6.534 1.00 0.00 C ATOM 1423 CG LYS B 63 12.623 -2.337 -6.092 1.00 0.00 C ATOM 1424 CD LYS B 63 11.861 -3.400 -5.295 1.00 0.00 C ATOM 1425 CE LYS B 63 12.830 -4.490 -4.837 1.00 0.00 C ATOM 1426 NZ LYS B 63 12.080 -5.513 -4.057 1.00 0.00 N ATOM 0 H LYS B 63 10.550 0.798 -7.379 1.00 0.00 H new ATOM 0 HA LYS B 63 13.241 0.217 -6.690 1.00 0.00 H new ATOM 0 HB2 LYS B 63 11.166 -0.794 -5.664 1.00 0.00 H new ATOM 0 HB3 LYS B 63 10.870 -1.654 -7.162 1.00 0.00 H new ATOM 0 HG2 LYS B 63 13.095 -2.791 -6.963 1.00 0.00 H new ATOM 0 HG3 LYS B 63 13.420 -1.913 -5.482 1.00 0.00 H new ATOM 0 HD2 LYS B 63 11.376 -2.944 -4.432 1.00 0.00 H new ATOM 0 HD3 LYS B 63 11.073 -3.835 -5.910 1.00 0.00 H new ATOM 0 HE2 LYS B 63 13.310 -4.952 -5.699 1.00 0.00 H new ATOM 0 HE3 LYS B 63 13.621 -4.057 -4.225 1.00 0.00 H new ATOM 0 HZ1 LYS B 63 12.734 -6.258 -3.742 1.00 0.00 H new ATOM 0 HZ2 LYS B 63 11.641 -5.064 -3.228 1.00 0.00 H new ATOM 0 HZ3 LYS B 63 11.340 -5.932 -4.656 1.00 0.00 H new ATOM 1440 N LEU B 64 12.191 -0.770 -9.642 1.00 0.00 N ATOM 1441 CA LEU B 64 12.625 -1.326 -10.919 1.00 0.00 C ATOM 1442 C LEU B 64 13.826 -0.563 -11.476 1.00 0.00 C ATOM 1443 O LEU B 64 14.789 -1.165 -11.950 1.00 0.00 O ATOM 1444 CB LEU B 64 11.463 -1.276 -11.923 1.00 0.00 C ATOM 1445 CG LEU B 64 11.940 -1.736 -13.308 1.00 0.00 C ATOM 1446 CD1 LEU B 64 12.565 -3.132 -13.205 1.00 0.00 C ATOM 1447 CD2 LEU B 64 10.751 -1.786 -14.267 1.00 0.00 C ATOM 0 H LEU B 64 11.236 -0.411 -9.638 1.00 0.00 H new ATOM 0 HA LEU B 64 12.928 -2.360 -10.757 1.00 0.00 H new ATOM 0 HB2 LEU B 64 10.649 -1.914 -11.580 1.00 0.00 H new ATOM 0 HB3 LEU B 64 11.069 -0.262 -11.984 1.00 0.00 H new ATOM 0 HG LEU B 64 12.684 -1.033 -13.682 1.00 0.00 H new ATOM 0 HD11 LEU B 64 12.902 -3.454 -14.191 1.00 0.00 H new ATOM 0 HD12 LEU B 64 13.415 -3.101 -12.523 1.00 0.00 H new ATOM 0 HD13 LEU B 64 11.823 -3.836 -12.828 1.00 0.00 H new ATOM 0 HD21 LEU B 64 11.090 -2.113 -15.250 1.00 0.00 H new ATOM 0 HD22 LEU B 64 10.007 -2.487 -13.888 1.00 0.00 H new ATOM 0 HD23 LEU B 64 10.307 -0.794 -14.348 1.00 0.00 H new ATOM 1459 N MET B 65 13.758 0.762 -11.423 1.00 0.00 N ATOM 1460 CA MET B 65 14.845 1.597 -11.930 1.00 0.00 C ATOM 1461 C MET B 65 16.105 1.430 -11.081 1.00 0.00 C ATOM 1462 O MET B 65 17.221 1.442 -11.603 1.00 0.00 O ATOM 1463 CB MET B 65 14.415 3.062 -11.941 1.00 0.00 C ATOM 1464 CG MET B 65 13.341 3.272 -13.011 1.00 0.00 C ATOM 1465 SD MET B 65 12.972 5.038 -13.160 1.00 0.00 S ATOM 1466 CE MET B 65 12.149 5.239 -11.563 1.00 0.00 C ATOM 0 H MET B 65 12.969 1.280 -11.037 1.00 0.00 H new ATOM 0 HA MET B 65 15.074 1.280 -12.948 1.00 0.00 H new ATOM 0 HB2 MET B 65 14.028 3.346 -10.962 1.00 0.00 H new ATOM 0 HB3 MET B 65 15.274 3.702 -12.142 1.00 0.00 H new ATOM 0 HG2 MET B 65 13.685 2.880 -13.968 1.00 0.00 H new ATOM 0 HG3 MET B 65 12.438 2.722 -12.747 1.00 0.00 H new ATOM 0 HE1 MET B 65 11.506 6.118 -11.593 1.00 0.00 H new ATOM 0 HE2 MET B 65 11.547 4.356 -11.350 1.00 0.00 H new ATOM 0 HE3 MET B 65 12.898 5.364 -10.781 1.00 0.00 H new ATOM 1476 N GLY B 66 15.923 1.271 -9.771 1.00 0.00 N ATOM 1477 CA GLY B 66 17.059 1.096 -8.859 1.00 0.00 C ATOM 1478 C GLY B 66 17.501 2.422 -8.238 1.00 0.00 C ATOM 1479 O GLY B 66 18.503 2.472 -7.522 1.00 0.00 O ATOM 0 H GLY B 66 15.009 1.259 -9.318 1.00 0.00 H new ATOM 0 HA2 GLY B 66 16.785 0.398 -8.068 1.00 0.00 H new ATOM 0 HA3 GLY B 66 17.894 0.652 -9.401 1.00 0.00 H new