USER MOD reduce.3.24.130724 H: found=0, std=0, add=449, rem=0, adj=10 USER MOD reduce.3.24.130724 removed 451 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 Single : A 98 SER OG : rot 180:sc= 0 USER MOD Single : A 103 MET CE :methyl 155:sc= -0.41 (180deg=-1.46!) USER MOD Single : A 106 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 107 ASN : amide:sc= -4.84! C(o=-4.8!,f=-6.2!) USER MOD Single : A 111 TYR OH : rot 180:sc= 0 USER MOD Single : A 118 LYS NZ :NH3+ -161:sc= -0.038 (180deg=-0.712) USER MOD Single : A 120 MET CE :methyl -162:sc= -0.789 (180deg=-1.27) USER MOD Single : A 122 GLN : amide:sc=-0.000752 X(o=-0.00075,f=0) USER MOD Single : A 129 THR OG1 : rot -41:sc= 0.119 USER MOD Single : A 137 MET CE :methyl 142:sc= -8.21! (180deg=-11!) USER MOD Single : A 138 LYS NZ :NH3+ -134:sc= -0.0201 (180deg=-0.331) USER MOD Single : A 142 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 143 ASN : amide:sc= -5.77! C(o=-5.8!,f=-11!) USER MOD Single : A 144 ASN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 150 TYR OH : rot 180:sc= -0.35 USER MOD Single : A 157 MET CE :methyl -172:sc= -3.07! (180deg=-3.25!) USER MOD Single : A 158 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD ----------------------------------------------------------------- ATOM 155 N GLU A 96 65.726 -11.251 -3.654 1.00 1.38 N ATOM 156 CA GLU A 96 64.315 -10.884 -3.965 1.00 1.34 C ATOM 157 C GLU A 96 64.018 -9.463 -3.481 1.00 1.16 C ATOM 158 O GLU A 96 63.270 -8.729 -4.097 1.00 1.07 O ATOM 159 CB GLU A 96 63.464 -11.900 -3.202 1.00 1.51 C ATOM 160 CG GLU A 96 63.694 -13.297 -3.781 1.00 2.07 C ATOM 161 CD GLU A 96 63.469 -13.266 -5.293 1.00 2.19 C ATOM 162 OE1 GLU A 96 62.322 -13.185 -5.702 1.00 2.61 O ATOM 163 OE2 GLU A 96 64.449 -13.325 -6.019 1.00 2.60 O ATOM 0 HA GLU A 96 64.110 -10.903 -5.035 1.00 1.34 H new ATOM 0 HB2 GLU A 96 63.724 -11.886 -2.144 1.00 1.51 H new ATOM 0 HB3 GLU A 96 62.409 -11.634 -3.274 1.00 1.51 H new ATOM 0 HG2 GLU A 96 64.708 -13.631 -3.560 1.00 2.07 H new ATOM 0 HG3 GLU A 96 63.014 -14.011 -3.316 1.00 2.07 H new ATOM 170 N LEU A 97 64.597 -9.067 -2.381 1.00 1.14 N ATOM 171 CA LEU A 97 64.347 -7.692 -1.858 1.00 0.99 C ATOM 172 C LEU A 97 64.677 -6.650 -2.931 1.00 0.82 C ATOM 173 O LEU A 97 63.945 -5.703 -3.138 1.00 0.70 O ATOM 174 CB LEU A 97 65.288 -7.546 -0.662 1.00 1.03 C ATOM 175 CG LEU A 97 64.495 -7.707 0.635 1.00 1.31 C ATOM 176 CD1 LEU A 97 65.342 -8.461 1.662 1.00 1.57 C ATOM 177 CD2 LEU A 97 64.138 -6.326 1.187 1.00 1.71 C ATOM 0 H LEU A 97 65.233 -9.635 -1.821 1.00 1.14 H new ATOM 0 HA LEU A 97 63.305 -7.540 -1.578 1.00 0.99 H new ATOM 0 HB2 LEU A 97 66.077 -8.296 -0.713 1.00 1.03 H new ATOM 0 HB3 LEU A 97 65.773 -6.570 -0.685 1.00 1.03 H new ATOM 0 HG LEU A 97 63.582 -8.268 0.435 1.00 1.31 H new ATOM 0 HD11 LEU A 97 64.776 -8.576 2.587 1.00 1.57 H new ATOM 0 HD12 LEU A 97 65.599 -9.445 1.270 1.00 1.57 H new ATOM 0 HD13 LEU A 97 66.255 -7.900 1.862 1.00 1.57 H new ATOM 0 HD21 LEU A 97 63.572 -6.439 2.112 1.00 1.71 H new ATOM 0 HD22 LEU A 97 65.052 -5.767 1.387 1.00 1.71 H new ATOM 0 HD23 LEU A 97 63.535 -5.787 0.456 1.00 1.71 H new ATOM 189 N SER A 98 65.777 -6.818 -3.614 1.00 0.87 N ATOM 190 CA SER A 98 66.155 -5.837 -4.671 1.00 0.78 C ATOM 191 C SER A 98 65.044 -5.728 -5.719 1.00 0.75 C ATOM 192 O SER A 98 64.521 -4.661 -5.972 1.00 0.74 O ATOM 193 CB SER A 98 67.429 -6.404 -5.295 1.00 0.93 C ATOM 194 OG SER A 98 67.991 -5.437 -6.173 1.00 1.41 O ATOM 0 H SER A 98 66.430 -7.591 -3.486 1.00 0.87 H new ATOM 0 HA SER A 98 66.307 -4.835 -4.270 1.00 0.78 H new ATOM 0 HB2 SER A 98 68.145 -6.664 -4.516 1.00 0.93 H new ATOM 0 HB3 SER A 98 67.204 -7.321 -5.840 1.00 0.93 H new ATOM 0 HG SER A 98 68.810 -5.796 -6.574 1.00 1.41 H new ATOM 200 N ASP A 99 64.681 -6.823 -6.331 1.00 0.80 N ATOM 201 CA ASP A 99 63.605 -6.780 -7.363 1.00 0.82 C ATOM 202 C ASP A 99 62.455 -5.887 -6.891 1.00 0.77 C ATOM 203 O ASP A 99 61.780 -5.259 -7.681 1.00 0.77 O ATOM 204 CB ASP A 99 63.137 -8.228 -7.508 1.00 0.93 C ATOM 205 CG ASP A 99 64.327 -9.116 -7.876 1.00 1.45 C ATOM 206 OD1 ASP A 99 65.290 -8.590 -8.411 1.00 2.18 O ATOM 207 OD2 ASP A 99 64.256 -10.305 -7.616 1.00 1.92 O ATOM 0 H ASP A 99 65.083 -7.745 -6.161 1.00 0.80 H new ATOM 0 HA ASP A 99 63.956 -6.369 -8.310 1.00 0.82 H new ATOM 0 HB2 ASP A 99 62.688 -8.571 -6.576 1.00 0.93 H new ATOM 0 HB3 ASP A 99 62.367 -8.297 -8.276 1.00 0.93 H new ATOM 212 N LEU A 100 62.225 -5.828 -5.607 1.00 0.77 N ATOM 213 CA LEU A 100 61.118 -4.976 -5.088 1.00 0.77 C ATOM 214 C LEU A 100 61.529 -3.502 -5.114 1.00 0.64 C ATOM 215 O LEU A 100 60.777 -2.646 -5.539 1.00 0.64 O ATOM 216 CB LEU A 100 60.898 -5.447 -3.650 1.00 0.85 C ATOM 217 CG LEU A 100 59.920 -6.622 -3.644 1.00 1.16 C ATOM 218 CD1 LEU A 100 59.767 -7.153 -2.219 1.00 1.54 C ATOM 219 CD2 LEU A 100 58.557 -6.153 -4.161 1.00 1.57 C ATOM 0 H LEU A 100 62.755 -6.332 -4.896 1.00 0.77 H new ATOM 0 HA LEU A 100 60.212 -5.063 -5.688 1.00 0.77 H new ATOM 0 HB2 LEU A 100 61.847 -5.747 -3.205 1.00 0.85 H new ATOM 0 HB3 LEU A 100 60.506 -4.630 -3.044 1.00 0.85 H new ATOM 0 HG LEU A 100 60.302 -7.414 -4.288 1.00 1.16 H new ATOM 0 HD11 LEU A 100 59.070 -7.991 -2.216 1.00 1.54 H new ATOM 0 HD12 LEU A 100 60.736 -7.487 -1.849 1.00 1.54 H new ATOM 0 HD13 LEU A 100 59.386 -6.361 -1.575 1.00 1.54 H new ATOM 0 HD21 LEU A 100 57.859 -6.990 -4.157 1.00 1.57 H new ATOM 0 HD22 LEU A 100 58.177 -5.360 -3.517 1.00 1.57 H new ATOM 0 HD23 LEU A 100 58.664 -5.774 -5.178 1.00 1.57 H new ATOM 231 N PHE A 101 62.717 -3.198 -4.665 1.00 0.60 N ATOM 232 CA PHE A 101 63.175 -1.778 -4.667 1.00 0.53 C ATOM 233 C PHE A 101 63.073 -1.194 -6.078 1.00 0.49 C ATOM 234 O PHE A 101 62.750 -0.037 -6.260 1.00 0.61 O ATOM 235 CB PHE A 101 64.633 -1.830 -4.211 1.00 0.57 C ATOM 236 CG PHE A 101 65.255 -0.462 -4.353 1.00 0.46 C ATOM 237 CD1 PHE A 101 65.646 0.002 -5.615 1.00 1.23 C ATOM 238 CD2 PHE A 101 65.443 0.344 -3.223 1.00 1.31 C ATOM 239 CE1 PHE A 101 66.223 1.271 -5.747 1.00 1.23 C ATOM 240 CE2 PHE A 101 66.020 1.612 -3.355 1.00 1.30 C ATOM 241 CZ PHE A 101 66.410 2.076 -4.618 1.00 0.40 C ATOM 0 H PHE A 101 63.390 -3.871 -4.297 1.00 0.60 H new ATOM 0 HA PHE A 101 62.569 -1.147 -4.017 1.00 0.53 H new ATOM 0 HB2 PHE A 101 64.689 -2.161 -3.174 1.00 0.57 H new ATOM 0 HB3 PHE A 101 65.186 -2.556 -4.807 1.00 0.57 H new ATOM 0 HD1 PHE A 101 65.502 -0.619 -6.487 1.00 1.23 H new ATOM 0 HD2 PHE A 101 65.142 -0.013 -2.249 1.00 1.31 H new ATOM 0 HE1 PHE A 101 66.524 1.629 -6.721 1.00 1.23 H new ATOM 0 HE2 PHE A 101 66.165 2.233 -2.483 1.00 1.30 H new ATOM 0 HZ PHE A 101 66.855 3.055 -4.720 1.00 0.40 H new ATOM 251 N ARG A 102 63.349 -1.986 -7.078 1.00 0.53 N ATOM 252 CA ARG A 102 63.269 -1.476 -8.476 1.00 0.70 C ATOM 253 C ARG A 102 61.822 -1.518 -8.974 1.00 0.80 C ATOM 254 O ARG A 102 61.411 -0.712 -9.785 1.00 1.09 O ATOM 255 CB ARG A 102 64.146 -2.426 -9.292 1.00 0.87 C ATOM 256 CG ARG A 102 64.043 -2.070 -10.777 1.00 1.28 C ATOM 257 CD ARG A 102 64.384 -3.299 -11.620 1.00 1.83 C ATOM 258 NE ARG A 102 65.867 -3.415 -11.546 1.00 2.26 N ATOM 259 CZ ARG A 102 66.444 -4.561 -11.781 1.00 2.89 C ATOM 260 NH1 ARG A 102 66.591 -5.427 -10.816 1.00 3.68 N ATOM 261 NH2 ARG A 102 66.876 -4.841 -12.980 1.00 3.22 N ATOM 0 H ARG A 102 63.626 -2.963 -6.987 1.00 0.53 H new ATOM 0 HA ARG A 102 63.601 -0.441 -8.559 1.00 0.70 H new ATOM 0 HB2 ARG A 102 65.182 -2.355 -8.961 1.00 0.87 H new ATOM 0 HB3 ARG A 102 63.830 -3.457 -9.132 1.00 0.87 H new ATOM 0 HG2 ARG A 102 63.036 -1.724 -11.010 1.00 1.28 H new ATOM 0 HG3 ARG A 102 64.724 -1.253 -11.014 1.00 1.28 H new ATOM 0 HD2 ARG A 102 63.898 -4.193 -11.230 1.00 1.83 H new ATOM 0 HD3 ARG A 102 64.048 -3.177 -12.650 1.00 1.83 H new ATOM 0 HE ARG A 102 66.431 -2.598 -11.312 1.00 2.26 H new ATOM 0 HH11 ARG A 102 66.255 -5.208 -9.878 1.00 3.68 H new ATOM 0 HH12 ARG A 102 67.042 -6.323 -10.999 1.00 3.68 H new ATOM 0 HH21 ARG A 102 66.763 -4.164 -13.734 1.00 3.22 H new ATOM 0 HH22 ARG A 102 67.327 -5.737 -13.163 1.00 3.22 H new ATOM 275 N MET A 103 61.046 -2.452 -8.495 1.00 0.68 N ATOM 276 CA MET A 103 59.626 -2.544 -8.941 1.00 0.81 C ATOM 277 C MET A 103 58.776 -1.488 -8.228 1.00 0.79 C ATOM 278 O MET A 103 57.659 -1.210 -8.617 1.00 0.90 O ATOM 279 CB MET A 103 59.177 -3.953 -8.549 1.00 0.91 C ATOM 280 CG MET A 103 57.883 -4.303 -9.284 1.00 1.35 C ATOM 281 SD MET A 103 56.546 -4.523 -8.084 1.00 1.92 S ATOM 282 CE MET A 103 57.093 -6.116 -7.425 1.00 1.63 C ATOM 0 H MET A 103 61.334 -3.155 -7.814 1.00 0.68 H new ATOM 0 HA MET A 103 59.517 -2.366 -10.011 1.00 0.81 H new ATOM 0 HB2 MET A 103 59.955 -4.675 -8.797 1.00 0.91 H new ATOM 0 HB3 MET A 103 59.022 -4.009 -7.472 1.00 0.91 H new ATOM 0 HG2 MET A 103 57.627 -3.511 -9.988 1.00 1.35 H new ATOM 0 HG3 MET A 103 58.018 -5.215 -9.865 1.00 1.35 H new ATOM 0 HE1 MET A 103 56.710 -6.241 -6.412 1.00 1.63 H new ATOM 0 HE2 MET A 103 56.716 -6.920 -8.057 1.00 1.63 H new ATOM 0 HE3 MET A 103 58.182 -6.148 -7.408 1.00 1.63 H new ATOM 292 N PHE A 104 59.296 -0.896 -7.186 1.00 0.71 N ATOM 293 CA PHE A 104 58.515 0.140 -6.450 1.00 0.75 C ATOM 294 C PHE A 104 59.116 1.527 -6.690 1.00 0.68 C ATOM 295 O PHE A 104 58.760 2.489 -6.038 1.00 0.80 O ATOM 296 CB PHE A 104 58.633 -0.242 -4.974 1.00 0.76 C ATOM 297 CG PHE A 104 57.464 -1.115 -4.583 1.00 1.03 C ATOM 298 CD1 PHE A 104 56.154 -0.638 -4.719 1.00 1.67 C ATOM 299 CD2 PHE A 104 57.690 -2.403 -4.083 1.00 1.71 C ATOM 300 CE1 PHE A 104 55.072 -1.449 -4.356 1.00 1.90 C ATOM 301 CE2 PHE A 104 56.608 -3.214 -3.720 1.00 2.03 C ATOM 302 CZ PHE A 104 55.299 -2.736 -3.856 1.00 1.76 C ATOM 0 H PHE A 104 60.226 -1.085 -6.813 1.00 0.71 H new ATOM 0 HA PHE A 104 57.477 0.180 -6.779 1.00 0.75 H new ATOM 0 HB2 PHE A 104 59.570 -0.771 -4.798 1.00 0.76 H new ATOM 0 HB3 PHE A 104 58.653 0.656 -4.356 1.00 0.76 H new ATOM 0 HD1 PHE A 104 55.979 0.356 -5.104 1.00 1.67 H new ATOM 0 HD2 PHE A 104 58.700 -2.771 -3.977 1.00 1.71 H new ATOM 0 HE1 PHE A 104 54.062 -1.081 -4.462 1.00 1.90 H new ATOM 0 HE2 PHE A 104 56.783 -4.208 -3.335 1.00 2.03 H new ATOM 0 HZ PHE A 104 54.464 -3.361 -3.575 1.00 1.76 H new ATOM 312 N ASP A 105 60.027 1.639 -7.616 1.00 0.58 N ATOM 313 CA ASP A 105 60.650 2.965 -7.891 1.00 0.52 C ATOM 314 C ASP A 105 59.726 3.815 -8.765 1.00 0.52 C ATOM 315 O ASP A 105 59.907 3.913 -9.962 1.00 0.60 O ATOM 316 CB ASP A 105 61.950 2.648 -8.631 1.00 0.60 C ATOM 317 CG ASP A 105 62.951 3.785 -8.411 1.00 0.51 C ATOM 318 OD1 ASP A 105 62.550 4.808 -7.878 1.00 0.48 O ATOM 319 OD2 ASP A 105 64.101 3.615 -8.780 1.00 0.54 O ATOM 0 H ASP A 105 60.367 0.871 -8.194 1.00 0.58 H new ATOM 0 HA ASP A 105 60.830 3.532 -6.978 1.00 0.52 H new ATOM 0 HB2 ASP A 105 62.366 1.707 -8.270 1.00 0.60 H new ATOM 0 HB3 ASP A 105 61.754 2.522 -9.696 1.00 0.60 H new ATOM 324 N LYS A 106 58.739 4.434 -8.177 1.00 0.51 N ATOM 325 CA LYS A 106 57.812 5.281 -8.980 1.00 0.60 C ATOM 326 C LYS A 106 58.619 6.244 -9.852 1.00 0.59 C ATOM 327 O LYS A 106 58.348 6.412 -11.025 1.00 0.70 O ATOM 328 CB LYS A 106 56.981 6.051 -7.953 1.00 0.63 C ATOM 329 CG LYS A 106 55.972 6.946 -8.677 1.00 1.39 C ATOM 330 CD LYS A 106 55.250 6.134 -9.755 1.00 1.58 C ATOM 331 CE LYS A 106 54.588 4.911 -9.118 1.00 2.00 C ATOM 332 NZ LYS A 106 53.456 4.570 -10.024 1.00 2.79 N ATOM 0 H LYS A 106 58.535 4.390 -7.179 1.00 0.51 H new ATOM 0 HA LYS A 106 57.181 4.693 -9.646 1.00 0.60 H new ATOM 0 HB2 LYS A 106 56.459 5.355 -7.296 1.00 0.63 H new ATOM 0 HB3 LYS A 106 57.633 6.656 -7.323 1.00 0.63 H new ATOM 0 HG2 LYS A 106 55.251 7.348 -7.966 1.00 1.39 H new ATOM 0 HG3 LYS A 106 56.483 7.797 -9.128 1.00 1.39 H new ATOM 0 HD2 LYS A 106 54.499 6.751 -10.248 1.00 1.58 H new ATOM 0 HD3 LYS A 106 55.957 5.819 -10.522 1.00 1.58 H new ATOM 0 HE2 LYS A 106 55.290 4.081 -9.034 1.00 2.00 H new ATOM 0 HE3 LYS A 106 54.235 5.133 -8.111 1.00 2.00 H new ATOM 0 HZ1 LYS A 106 52.952 3.739 -9.653 1.00 2.79 H new ATOM 0 HZ2 LYS A 106 52.801 5.376 -10.079 1.00 2.79 H new ATOM 0 HZ3 LYS A 106 53.823 4.357 -10.973 1.00 2.79 H new ATOM 346 N ASN A 107 59.615 6.871 -9.288 1.00 0.53 N ATOM 347 CA ASN A 107 60.446 7.816 -10.086 1.00 0.59 C ATOM 348 C ASN A 107 61.451 7.033 -10.935 1.00 0.60 C ATOM 349 O ASN A 107 61.951 7.519 -11.931 1.00 0.71 O ATOM 350 CB ASN A 107 61.168 8.681 -9.049 1.00 0.62 C ATOM 351 CG ASN A 107 62.364 9.376 -9.700 1.00 1.10 C ATOM 352 OD1 ASN A 107 63.382 9.576 -9.068 1.00 1.50 O ATOM 353 ND2 ASN A 107 62.284 9.752 -10.947 1.00 1.67 N ATOM 0 H ASN A 107 59.889 6.770 -8.311 1.00 0.53 H new ATOM 0 HA ASN A 107 59.852 8.421 -10.771 1.00 0.59 H new ATOM 0 HB2 ASN A 107 60.483 9.423 -8.640 1.00 0.62 H new ATOM 0 HB3 ASN A 107 61.503 8.063 -8.216 1.00 0.62 H new ATOM 0 HD21 ASN A 107 63.077 10.214 -11.392 1.00 1.67 H new ATOM 0 HD22 ASN A 107 61.429 9.583 -11.477 1.00 1.67 H new ATOM 360 N ALA A 108 61.747 5.821 -10.549 1.00 0.56 N ATOM 361 CA ALA A 108 62.716 5.002 -11.333 1.00 0.62 C ATOM 362 C ALA A 108 63.995 5.801 -11.596 1.00 0.64 C ATOM 363 O ALA A 108 64.264 6.211 -12.708 1.00 0.78 O ATOM 364 CB ALA A 108 61.998 4.688 -12.646 1.00 0.72 C ATOM 0 H ALA A 108 61.360 5.363 -9.724 1.00 0.56 H new ATOM 0 HA ALA A 108 63.013 4.096 -10.805 1.00 0.62 H new ATOM 0 HB1 ALA A 108 62.648 4.086 -13.281 1.00 0.72 H new ATOM 0 HB2 ALA A 108 61.082 4.136 -12.437 1.00 0.72 H new ATOM 0 HB3 ALA A 108 61.752 5.618 -13.158 1.00 0.72 H new ATOM 370 N ASP A 109 64.785 6.026 -10.582 1.00 0.57 N ATOM 371 CA ASP A 109 66.047 6.798 -10.777 1.00 0.63 C ATOM 372 C ASP A 109 67.185 6.166 -9.970 1.00 0.63 C ATOM 373 O ASP A 109 68.268 6.708 -9.877 1.00 0.76 O ATOM 374 CB ASP A 109 65.735 8.203 -10.259 1.00 0.62 C ATOM 375 CG ASP A 109 65.638 8.176 -8.732 1.00 0.70 C ATOM 376 OD1 ASP A 109 64.828 7.418 -8.223 1.00 0.75 O ATOM 377 OD2 ASP A 109 66.375 8.912 -8.098 1.00 1.20 O ATOM 0 H ASP A 109 64.612 5.710 -9.628 1.00 0.57 H new ATOM 0 HA ASP A 109 66.368 6.810 -11.819 1.00 0.63 H new ATOM 0 HB2 ASP A 109 66.514 8.898 -10.572 1.00 0.62 H new ATOM 0 HB3 ASP A 109 64.798 8.560 -10.687 1.00 0.62 H new ATOM 382 N GLY A 110 66.947 5.023 -9.385 1.00 0.58 N ATOM 383 CA GLY A 110 68.016 4.358 -8.585 1.00 0.62 C ATOM 384 C GLY A 110 67.721 4.528 -7.094 1.00 0.54 C ATOM 385 O GLY A 110 68.106 3.714 -6.277 1.00 0.57 O ATOM 0 H GLY A 110 66.060 4.521 -9.426 1.00 0.58 H new ATOM 0 HA2 GLY A 110 68.068 3.299 -8.837 1.00 0.62 H new ATOM 0 HA3 GLY A 110 68.987 4.791 -8.826 1.00 0.62 H new ATOM 389 N TYR A 111 67.041 5.581 -6.732 1.00 0.50 N ATOM 390 CA TYR A 111 66.720 5.804 -5.293 1.00 0.48 C ATOM 391 C TYR A 111 65.242 6.174 -5.138 1.00 0.42 C ATOM 392 O TYR A 111 64.561 6.461 -6.103 1.00 0.52 O ATOM 393 CB TYR A 111 67.617 6.967 -4.866 1.00 0.52 C ATOM 394 CG TYR A 111 69.045 6.664 -5.251 1.00 0.60 C ATOM 395 CD1 TYR A 111 69.878 5.972 -4.365 1.00 1.38 C ATOM 396 CD2 TYR A 111 69.535 7.073 -6.497 1.00 1.36 C ATOM 397 CE1 TYR A 111 71.201 5.689 -4.724 1.00 1.46 C ATOM 398 CE2 TYR A 111 70.858 6.791 -6.857 1.00 1.40 C ATOM 399 CZ TYR A 111 71.691 6.098 -5.969 1.00 0.83 C ATOM 400 OH TYR A 111 72.996 5.819 -6.324 1.00 0.97 O ATOM 0 H TYR A 111 66.694 6.297 -7.370 1.00 0.50 H new ATOM 0 HA TYR A 111 66.890 4.916 -4.684 1.00 0.48 H new ATOM 0 HB2 TYR A 111 67.288 7.890 -5.344 1.00 0.52 H new ATOM 0 HB3 TYR A 111 67.544 7.122 -3.790 1.00 0.52 H new ATOM 0 HD1 TYR A 111 69.500 5.656 -3.404 1.00 1.38 H new ATOM 0 HD2 TYR A 111 68.892 7.607 -7.181 1.00 1.36 H new ATOM 0 HE1 TYR A 111 71.844 5.155 -4.040 1.00 1.46 H new ATOM 0 HE2 TYR A 111 71.236 7.107 -7.818 1.00 1.40 H new ATOM 0 HH TYR A 111 73.174 6.172 -7.221 1.00 0.97 H new ATOM 410 N ILE A 112 64.738 6.166 -3.935 1.00 0.36 N ATOM 411 CA ILE A 112 63.302 6.513 -3.730 1.00 0.32 C ATOM 412 C ILE A 112 63.139 7.467 -2.549 1.00 0.35 C ATOM 413 O ILE A 112 63.776 7.324 -1.525 1.00 0.43 O ATOM 414 CB ILE A 112 62.613 5.190 -3.442 1.00 0.32 C ATOM 415 CG1 ILE A 112 63.006 4.208 -4.553 1.00 0.40 C ATOM 416 CG2 ILE A 112 61.094 5.417 -3.420 1.00 0.35 C ATOM 417 CD1 ILE A 112 61.850 3.264 -4.864 1.00 0.46 C ATOM 0 H ILE A 112 65.256 5.935 -3.087 1.00 0.36 H new ATOM 0 HA ILE A 112 62.878 7.017 -4.599 1.00 0.32 H new ATOM 0 HB ILE A 112 62.913 4.784 -2.476 1.00 0.32 H new ATOM 0 HG12 ILE A 112 63.285 4.759 -5.451 1.00 0.40 H new ATOM 0 HG13 ILE A 112 63.880 3.634 -4.246 1.00 0.40 H new ATOM 0 HG21 ILE A 112 60.588 4.474 -3.214 1.00 0.35 H new ATOM 0 HG22 ILE A 112 60.845 6.139 -2.643 1.00 0.35 H new ATOM 0 HG23 ILE A 112 60.769 5.799 -4.388 1.00 0.35 H new ATOM 0 HD11 ILE A 112 62.146 2.574 -5.654 1.00 0.46 H new ATOM 0 HD12 ILE A 112 61.590 2.700 -3.968 1.00 0.46 H new ATOM 0 HD13 ILE A 112 60.986 3.842 -5.192 1.00 0.46 H new ATOM 429 N ASP A 113 62.282 8.436 -2.685 1.00 0.36 N ATOM 430 CA ASP A 113 62.065 9.400 -1.568 1.00 0.44 C ATOM 431 C ASP A 113 60.798 9.024 -0.797 1.00 0.44 C ATOM 432 O ASP A 113 60.091 8.107 -1.162 1.00 0.60 O ATOM 433 CB ASP A 113 61.907 10.766 -2.238 1.00 0.56 C ATOM 434 CG ASP A 113 60.545 10.846 -2.928 1.00 0.94 C ATOM 435 OD1 ASP A 113 59.548 10.843 -2.227 1.00 1.53 O ATOM 436 OD2 ASP A 113 60.524 10.913 -4.146 1.00 1.58 O ATOM 0 H ASP A 113 61.721 8.605 -3.520 1.00 0.36 H new ATOM 0 HA ASP A 113 62.888 9.399 -0.853 1.00 0.44 H new ATOM 0 HB2 ASP A 113 61.997 11.559 -1.495 1.00 0.56 H new ATOM 0 HB3 ASP A 113 62.704 10.919 -2.966 1.00 0.56 H new ATOM 441 N LEU A 114 60.505 9.718 0.269 1.00 0.47 N ATOM 442 CA LEU A 114 59.281 9.386 1.054 1.00 0.47 C ATOM 443 C LEU A 114 58.059 9.331 0.134 1.00 0.50 C ATOM 444 O LEU A 114 57.360 8.340 0.074 1.00 0.52 O ATOM 445 CB LEU A 114 59.137 10.517 2.073 1.00 0.57 C ATOM 446 CG LEU A 114 58.289 10.033 3.252 1.00 0.68 C ATOM 447 CD1 LEU A 114 58.479 10.976 4.443 1.00 1.36 C ATOM 448 CD2 LEU A 114 56.813 10.020 2.846 1.00 1.57 C ATOM 0 H LEU A 114 61.057 10.497 0.629 1.00 0.47 H new ATOM 0 HA LEU A 114 59.357 8.413 1.538 1.00 0.47 H new ATOM 0 HB2 LEU A 114 60.120 10.833 2.423 1.00 0.57 H new ATOM 0 HB3 LEU A 114 58.670 11.385 1.607 1.00 0.57 H new ATOM 0 HG LEU A 114 58.601 9.027 3.532 1.00 0.68 H new ATOM 0 HD11 LEU A 114 57.874 10.630 5.281 1.00 1.36 H new ATOM 0 HD12 LEU A 114 59.529 10.988 4.734 1.00 1.36 H new ATOM 0 HD13 LEU A 114 58.169 11.983 4.163 1.00 1.36 H new ATOM 0 HD21 LEU A 114 56.208 9.675 3.685 1.00 1.57 H new ATOM 0 HD22 LEU A 114 56.504 11.027 2.565 1.00 1.57 H new ATOM 0 HD23 LEU A 114 56.675 9.348 1.999 1.00 1.57 H new ATOM 460 N GLU A 115 57.795 10.389 -0.584 1.00 0.56 N ATOM 461 CA GLU A 115 56.617 10.397 -1.500 1.00 0.64 C ATOM 462 C GLU A 115 56.541 9.088 -2.293 1.00 0.56 C ATOM 463 O GLU A 115 55.567 8.364 -2.223 1.00 0.61 O ATOM 464 CB GLU A 115 56.859 11.576 -2.443 1.00 0.77 C ATOM 465 CG GLU A 115 55.551 11.948 -3.145 1.00 1.54 C ATOM 466 CD GLU A 115 55.861 12.624 -4.482 1.00 2.04 C ATOM 467 OE1 GLU A 115 56.337 13.748 -4.458 1.00 2.45 O ATOM 468 OE2 GLU A 115 55.619 12.007 -5.505 1.00 2.67 O ATOM 0 H GLU A 115 58.344 11.249 -0.576 1.00 0.56 H new ATOM 0 HA GLU A 115 55.677 10.490 -0.955 1.00 0.64 H new ATOM 0 HB2 GLU A 115 57.239 12.431 -1.883 1.00 0.77 H new ATOM 0 HB3 GLU A 115 57.618 11.315 -3.181 1.00 0.77 H new ATOM 0 HG2 GLU A 115 54.948 11.055 -3.309 1.00 1.54 H new ATOM 0 HG3 GLU A 115 54.966 12.617 -2.515 1.00 1.54 H new ATOM 475 N GLU A 116 57.558 8.781 -3.050 1.00 0.49 N ATOM 476 CA GLU A 116 57.543 7.525 -3.852 1.00 0.45 C ATOM 477 C GLU A 116 57.185 6.326 -2.971 1.00 0.43 C ATOM 478 O GLU A 116 56.393 5.484 -3.346 1.00 0.51 O ATOM 479 CB GLU A 116 58.966 7.383 -4.396 1.00 0.42 C ATOM 480 CG GLU A 116 59.273 8.547 -5.340 1.00 0.94 C ATOM 481 CD GLU A 116 60.714 8.432 -5.839 1.00 0.85 C ATOM 482 OE1 GLU A 116 61.163 7.316 -6.041 1.00 1.28 O ATOM 483 OE2 GLU A 116 61.345 9.462 -6.010 1.00 1.43 O ATOM 0 H GLU A 116 58.401 9.347 -3.148 1.00 0.49 H new ATOM 0 HA GLU A 116 56.801 7.560 -4.649 1.00 0.45 H new ATOM 0 HB2 GLU A 116 59.681 7.370 -3.573 1.00 0.42 H new ATOM 0 HB3 GLU A 116 59.071 6.435 -4.924 1.00 0.42 H new ATOM 0 HG2 GLU A 116 58.583 8.537 -6.184 1.00 0.94 H new ATOM 0 HG3 GLU A 116 59.130 9.496 -4.823 1.00 0.94 H new ATOM 490 N LEU A 117 57.762 6.235 -1.803 1.00 0.37 N ATOM 491 CA LEU A 117 57.451 5.084 -0.909 1.00 0.42 C ATOM 492 C LEU A 117 55.962 5.075 -0.559 1.00 0.50 C ATOM 493 O LEU A 117 55.364 4.034 -0.390 1.00 0.58 O ATOM 494 CB LEU A 117 58.298 5.309 0.344 1.00 0.43 C ATOM 495 CG LEU A 117 58.806 3.962 0.861 1.00 0.61 C ATOM 496 CD1 LEU A 117 60.314 4.044 1.104 1.00 0.90 C ATOM 497 CD2 LEU A 117 58.098 3.618 2.175 1.00 1.53 C ATOM 0 H LEU A 117 58.434 6.906 -1.430 1.00 0.37 H new ATOM 0 HA LEU A 117 57.672 4.126 -1.379 1.00 0.42 H new ATOM 0 HB2 LEU A 117 59.139 5.964 0.116 1.00 0.43 H new ATOM 0 HB3 LEU A 117 57.706 5.806 1.112 1.00 0.43 H new ATOM 0 HG LEU A 117 58.597 3.189 0.122 1.00 0.61 H new ATOM 0 HD11 LEU A 117 60.676 3.084 1.472 1.00 0.90 H new ATOM 0 HD12 LEU A 117 60.820 4.289 0.170 1.00 0.90 H new ATOM 0 HD13 LEU A 117 60.522 4.818 1.843 1.00 0.90 H new ATOM 0 HD21 LEU A 117 58.460 2.658 2.543 1.00 1.53 H new ATOM 0 HD22 LEU A 117 58.306 4.392 2.914 1.00 1.53 H new ATOM 0 HD23 LEU A 117 57.023 3.559 2.004 1.00 1.53 H new ATOM 509 N LYS A 118 55.357 6.226 -0.454 1.00 0.52 N ATOM 510 CA LYS A 118 53.905 6.273 -0.121 1.00 0.63 C ATOM 511 C LYS A 118 53.114 5.442 -1.134 1.00 0.71 C ATOM 512 O LYS A 118 52.131 4.810 -0.803 1.00 0.83 O ATOM 513 CB LYS A 118 53.521 7.751 -0.220 1.00 0.68 C ATOM 514 CG LYS A 118 52.478 8.080 0.850 1.00 1.05 C ATOM 515 CD LYS A 118 51.929 9.488 0.611 1.00 1.33 C ATOM 516 CE LYS A 118 52.737 10.498 1.430 1.00 1.49 C ATOM 517 NZ LYS A 118 51.719 11.281 2.185 1.00 1.82 N ATOM 0 H LYS A 118 55.804 7.134 -0.584 1.00 0.52 H new ATOM 0 HA LYS A 118 53.690 5.866 0.867 1.00 0.63 H new ATOM 0 HB2 LYS A 118 54.404 8.377 -0.087 1.00 0.68 H new ATOM 0 HB3 LYS A 118 53.122 7.969 -1.211 1.00 0.68 H new ATOM 0 HG2 LYS A 118 51.667 7.352 0.819 1.00 1.05 H new ATOM 0 HG3 LYS A 118 52.926 8.016 1.842 1.00 1.05 H new ATOM 0 HD2 LYS A 118 51.984 9.736 -0.449 1.00 1.33 H new ATOM 0 HD3 LYS A 118 50.877 9.533 0.894 1.00 1.33 H new ATOM 0 HE2 LYS A 118 53.429 9.995 2.105 1.00 1.49 H new ATOM 0 HE3 LYS A 118 53.333 11.143 0.785 1.00 1.49 H new ATOM 0 HZ1 LYS A 118 52.139 12.176 2.508 1.00 1.82 H new ATOM 0 HZ2 LYS A 118 50.908 11.483 1.567 1.00 1.82 H new ATOM 0 HZ3 LYS A 118 51.399 10.732 3.008 1.00 1.82 H new ATOM 531 N ILE A 119 53.541 5.437 -2.367 1.00 0.72 N ATOM 532 CA ILE A 119 52.822 4.642 -3.403 1.00 0.84 C ATOM 533 C ILE A 119 53.217 3.166 -3.291 1.00 0.86 C ATOM 534 O ILE A 119 52.452 2.281 -3.621 1.00 0.96 O ATOM 535 CB ILE A 119 53.279 5.232 -4.737 1.00 0.93 C ATOM 536 CG1 ILE A 119 52.495 6.517 -5.009 1.00 1.00 C ATOM 537 CG2 ILE A 119 53.020 4.231 -5.865 1.00 1.06 C ATOM 538 CD1 ILE A 119 53.165 7.290 -6.142 1.00 1.08 C ATOM 0 H ILE A 119 54.357 5.949 -2.702 1.00 0.72 H new ATOM 0 HA ILE A 119 51.738 4.688 -3.294 1.00 0.84 H new ATOM 0 HB ILE A 119 54.346 5.450 -4.691 1.00 0.93 H new ATOM 0 HG12 ILE A 119 51.466 6.278 -5.276 1.00 1.00 H new ATOM 0 HG13 ILE A 119 52.457 7.130 -4.109 1.00 1.00 H new ATOM 0 HG21 ILE A 119 53.348 4.658 -6.813 1.00 1.06 H new ATOM 0 HG22 ILE A 119 53.573 3.312 -5.670 1.00 1.06 H new ATOM 0 HG23 ILE A 119 51.954 4.009 -5.917 1.00 1.06 H new ATOM 0 HD11 ILE A 119 52.607 8.206 -6.337 1.00 1.08 H new ATOM 0 HD12 ILE A 119 54.187 7.541 -5.857 1.00 1.08 H new ATOM 0 HD13 ILE A 119 53.180 6.676 -7.042 1.00 1.08 H new ATOM 550 N MET A 120 54.405 2.896 -2.822 1.00 0.82 N ATOM 551 CA MET A 120 54.848 1.478 -2.684 1.00 0.92 C ATOM 552 C MET A 120 54.024 0.777 -1.602 1.00 0.92 C ATOM 553 O MET A 120 53.589 -0.345 -1.768 1.00 1.01 O ATOM 554 CB MET A 120 56.319 1.561 -2.270 1.00 0.96 C ATOM 555 CG MET A 120 56.768 0.214 -1.700 1.00 1.50 C ATOM 556 SD MET A 120 58.576 0.140 -1.672 1.00 2.13 S ATOM 557 CE MET A 120 58.766 -0.069 0.115 1.00 2.73 C ATOM 0 H MET A 120 55.088 3.595 -2.529 1.00 0.82 H new ATOM 0 HA MET A 120 54.717 0.910 -3.605 1.00 0.92 H new ATOM 0 HB2 MET A 120 56.935 1.827 -3.129 1.00 0.96 H new ATOM 0 HB3 MET A 120 56.454 2.346 -1.526 1.00 0.96 H new ATOM 0 HG2 MET A 120 56.373 0.084 -0.692 1.00 1.50 H new ATOM 0 HG3 MET A 120 56.370 -0.600 -2.306 1.00 1.50 H new ATOM 0 HE1 MET A 120 59.788 0.178 0.404 1.00 2.73 H new ATOM 0 HE2 MET A 120 58.072 0.592 0.634 1.00 2.73 H new ATOM 0 HE3 MET A 120 58.553 -1.103 0.385 1.00 2.73 H new ATOM 567 N LEU A 121 53.803 1.433 -0.496 1.00 0.88 N ATOM 568 CA LEU A 121 53.002 0.809 0.595 1.00 0.96 C ATOM 569 C LEU A 121 51.531 0.765 0.199 1.00 0.99 C ATOM 570 O LEU A 121 50.778 -0.058 0.672 1.00 1.12 O ATOM 571 CB LEU A 121 53.174 1.723 1.800 1.00 0.98 C ATOM 572 CG LEU A 121 54.652 2.068 1.993 1.00 1.19 C ATOM 573 CD1 LEU A 121 54.847 2.711 3.366 1.00 1.51 C ATOM 574 CD2 LEU A 121 55.489 0.790 1.906 1.00 1.81 C ATOM 0 H LEU A 121 54.143 2.375 -0.301 1.00 0.88 H new ATOM 0 HA LEU A 121 53.326 -0.211 0.801 1.00 0.96 H new ATOM 0 HB2 LEU A 121 52.595 2.636 1.659 1.00 0.98 H new ATOM 0 HB3 LEU A 121 52.787 1.235 2.694 1.00 0.98 H new ATOM 0 HG LEU A 121 54.969 2.764 1.216 1.00 1.19 H new ATOM 0 HD11 LEU A 121 55.899 2.958 3.506 1.00 1.51 H new ATOM 0 HD12 LEU A 121 54.249 3.620 3.430 1.00 1.51 H new ATOM 0 HD13 LEU A 121 54.531 2.014 4.142 1.00 1.51 H new ATOM 0 HD21 LEU A 121 56.542 1.035 2.043 1.00 1.81 H new ATOM 0 HD22 LEU A 121 55.174 0.095 2.684 1.00 1.81 H new ATOM 0 HD23 LEU A 121 55.348 0.329 0.928 1.00 1.81 H new ATOM 586 N GLN A 122 51.111 1.652 -0.659 1.00 0.95 N ATOM 587 CA GLN A 122 49.684 1.651 -1.075 1.00 1.05 C ATOM 588 C GLN A 122 49.389 0.383 -1.865 1.00 1.12 C ATOM 589 O GLN A 122 48.263 -0.061 -1.956 1.00 1.24 O ATOM 590 CB GLN A 122 49.519 2.891 -1.950 1.00 1.07 C ATOM 591 CG GLN A 122 48.635 3.898 -1.218 1.00 1.49 C ATOM 592 CD GLN A 122 49.066 5.320 -1.584 1.00 1.51 C ATOM 593 OE1 GLN A 122 49.277 6.145 -0.718 1.00 2.24 O ATOM 594 NE2 GLN A 122 49.207 5.641 -2.840 1.00 1.52 N ATOM 0 H GLN A 122 51.691 2.373 -1.087 1.00 0.95 H new ATOM 0 HA GLN A 122 48.998 1.672 -0.228 1.00 1.05 H new ATOM 0 HB2 GLN A 122 50.492 3.331 -2.167 1.00 1.07 H new ATOM 0 HB3 GLN A 122 49.071 2.621 -2.906 1.00 1.07 H new ATOM 0 HG2 GLN A 122 47.590 3.743 -1.487 1.00 1.49 H new ATOM 0 HG3 GLN A 122 48.712 3.750 -0.141 1.00 1.49 H new ATOM 0 HE21 GLN A 122 49.030 4.948 -3.567 1.00 1.52 H new ATOM 0 HE22 GLN A 122 49.495 6.586 -3.096 1.00 1.52 H new ATOM 603 N ALA A 123 50.404 -0.215 -2.425 1.00 1.11 N ATOM 604 CA ALA A 123 50.190 -1.469 -3.193 1.00 1.26 C ATOM 605 C ALA A 123 49.903 -2.610 -2.218 1.00 1.39 C ATOM 606 O ALA A 123 49.376 -3.641 -2.585 1.00 1.55 O ATOM 607 CB ALA A 123 51.502 -1.710 -3.939 1.00 1.31 C ATOM 0 H ALA A 123 51.370 0.111 -2.383 1.00 1.11 H new ATOM 0 HA ALA A 123 49.348 -1.406 -3.882 1.00 1.26 H new ATOM 0 HB1 ALA A 123 51.422 -2.622 -4.531 1.00 1.31 H new ATOM 0 HB2 ALA A 123 51.706 -0.866 -4.598 1.00 1.31 H new ATOM 0 HB3 ALA A 123 52.315 -1.814 -3.221 1.00 1.31 H new ATOM 682 N THR A 129 47.146 7.587 6.539 1.00 1.18 N ATOM 683 CA THR A 129 47.443 9.017 6.238 1.00 1.21 C ATOM 684 C THR A 129 48.957 9.254 6.229 1.00 1.10 C ATOM 685 O THR A 129 49.739 8.341 6.410 1.00 1.04 O ATOM 686 CB THR A 129 46.783 9.804 7.371 1.00 1.37 C ATOM 687 OG1 THR A 129 47.508 9.595 8.575 1.00 1.63 O ATOM 688 CG2 THR A 129 45.341 9.330 7.551 1.00 1.63 C ATOM 0 HA THR A 129 47.070 9.320 5.260 1.00 1.21 H new ATOM 0 HB THR A 129 46.785 10.866 7.126 1.00 1.37 H new ATOM 0 HG1 THR A 129 47.770 8.653 8.640 1.00 1.63 H new ATOM 0 HG21 THR A 129 44.872 9.892 8.359 1.00 1.63 H new ATOM 0 HG22 THR A 129 44.787 9.492 6.627 1.00 1.63 H new ATOM 0 HG23 THR A 129 45.335 8.268 7.796 1.00 1.63 H new ATOM 696 N GLU A 130 49.373 10.473 6.021 1.00 1.13 N ATOM 697 CA GLU A 130 50.835 10.768 6.001 1.00 1.09 C ATOM 698 C GLU A 130 51.420 10.642 7.411 1.00 1.03 C ATOM 699 O GLU A 130 52.620 10.687 7.601 1.00 0.98 O ATOM 700 CB GLU A 130 50.941 12.209 5.501 1.00 1.23 C ATOM 701 CG GLU A 130 52.415 12.590 5.350 1.00 1.68 C ATOM 702 CD GLU A 130 52.533 14.097 5.121 1.00 2.20 C ATOM 703 OE1 GLU A 130 51.739 14.627 4.362 1.00 2.66 O ATOM 704 OE2 GLU A 130 53.418 14.698 5.709 1.00 2.77 O ATOM 0 H GLU A 130 48.765 11.277 5.864 1.00 1.13 H new ATOM 0 HA GLU A 130 51.388 10.075 5.366 1.00 1.09 H new ATOM 0 HB2 GLU A 130 50.428 12.312 4.545 1.00 1.23 H new ATOM 0 HB3 GLU A 130 50.450 12.885 6.201 1.00 1.23 H new ATOM 0 HG2 GLU A 130 52.969 12.303 6.244 1.00 1.68 H new ATOM 0 HG3 GLU A 130 52.857 12.049 4.514 1.00 1.68 H new ATOM 711 N ASP A 131 50.583 10.484 8.399 1.00 1.08 N ATOM 712 CA ASP A 131 51.090 10.355 9.795 1.00 1.10 C ATOM 713 C ASP A 131 51.665 8.953 10.021 1.00 0.95 C ATOM 714 O ASP A 131 52.573 8.764 10.805 1.00 0.88 O ATOM 715 CB ASP A 131 49.866 10.583 10.683 1.00 1.27 C ATOM 716 CG ASP A 131 50.301 11.232 11.998 1.00 1.65 C ATOM 717 OD1 ASP A 131 50.706 10.504 12.890 1.00 2.28 O ATOM 718 OD2 ASP A 131 50.222 12.445 12.092 1.00 2.09 O ATOM 0 H ASP A 131 49.569 10.439 8.300 1.00 1.08 H new ATOM 0 HA ASP A 131 51.889 11.064 10.012 1.00 1.10 H new ATOM 0 HB2 ASP A 131 49.146 11.222 10.171 1.00 1.27 H new ATOM 0 HB3 ASP A 131 49.366 9.635 10.881 1.00 1.27 H new ATOM 723 N ASP A 132 51.144 7.970 9.338 1.00 0.96 N ATOM 724 CA ASP A 132 51.663 6.583 9.514 1.00 0.88 C ATOM 725 C ASP A 132 52.895 6.362 8.633 1.00 0.76 C ATOM 726 O ASP A 132 53.822 5.673 9.008 1.00 0.72 O ATOM 727 CB ASP A 132 50.517 5.671 9.072 1.00 0.99 C ATOM 728 CG ASP A 132 49.587 5.406 10.256 1.00 1.31 C ATOM 729 OD1 ASP A 132 50.087 5.289 11.362 1.00 1.95 O ATOM 730 OD2 ASP A 132 48.389 5.325 10.037 1.00 1.70 O ATOM 0 H ASP A 132 50.382 8.067 8.667 1.00 0.96 H new ATOM 0 HA ASP A 132 51.969 6.385 10.541 1.00 0.88 H new ATOM 0 HB2 ASP A 132 49.962 6.136 8.258 1.00 0.99 H new ATOM 0 HB3 ASP A 132 50.914 4.730 8.691 1.00 0.99 H new ATOM 735 N ILE A 133 52.912 6.943 7.464 1.00 0.78 N ATOM 736 CA ILE A 133 54.085 6.764 6.560 1.00 0.73 C ATOM 737 C ILE A 133 55.185 7.770 6.914 1.00 0.66 C ATOM 738 O ILE A 133 56.339 7.584 6.582 1.00 0.63 O ATOM 739 CB ILE A 133 53.548 7.031 5.154 1.00 0.84 C ATOM 740 CG1 ILE A 133 52.520 5.957 4.790 1.00 0.91 C ATOM 741 CG2 ILE A 133 54.701 6.993 4.149 1.00 1.14 C ATOM 742 CD1 ILE A 133 51.721 6.407 3.565 1.00 0.96 C ATOM 0 H ILE A 133 52.166 7.533 7.096 1.00 0.78 H new ATOM 0 HA ILE A 133 54.524 5.770 6.646 1.00 0.73 H new ATOM 0 HB ILE A 133 53.076 8.013 5.127 1.00 0.84 H new ATOM 0 HG12 ILE A 133 53.023 5.013 4.582 1.00 0.91 H new ATOM 0 HG13 ILE A 133 51.849 5.782 5.631 1.00 0.91 H new ATOM 0 HG21 ILE A 133 54.317 7.184 3.147 1.00 1.14 H new ATOM 0 HG22 ILE A 133 55.434 7.757 4.408 1.00 1.14 H new ATOM 0 HG23 ILE A 133 55.175 6.012 4.175 1.00 1.14 H new ATOM 0 HD11 ILE A 133 50.989 5.642 3.307 1.00 0.96 H new ATOM 0 HD12 ILE A 133 51.205 7.341 3.790 1.00 0.96 H new ATOM 0 HD13 ILE A 133 52.398 6.560 2.725 1.00 0.96 H new ATOM 754 N GLU A 134 54.837 8.833 7.585 1.00 0.73 N ATOM 755 CA GLU A 134 55.864 9.848 7.958 1.00 0.77 C ATOM 756 C GLU A 134 56.950 9.206 8.825 1.00 0.70 C ATOM 757 O GLU A 134 58.111 9.557 8.744 1.00 0.68 O ATOM 758 CB GLU A 134 55.101 10.910 8.751 1.00 0.96 C ATOM 759 CG GLU A 134 54.841 12.124 7.857 1.00 0.95 C ATOM 760 CD GLU A 134 55.786 13.261 8.249 1.00 1.60 C ATOM 761 OE1 GLU A 134 56.828 12.971 8.814 1.00 2.27 O ATOM 762 OE2 GLU A 134 55.453 14.403 7.978 1.00 2.07 O ATOM 0 H GLU A 134 53.887 9.043 7.891 1.00 0.73 H new ATOM 0 HA GLU A 134 56.363 10.271 7.086 1.00 0.77 H new ATOM 0 HB2 GLU A 134 54.157 10.502 9.112 1.00 0.96 H new ATOM 0 HB3 GLU A 134 55.676 11.207 9.628 1.00 0.96 H new ATOM 0 HG2 GLU A 134 54.991 11.857 6.811 1.00 0.95 H new ATOM 0 HG3 GLU A 134 53.805 12.447 7.958 1.00 0.95 H new ATOM 769 N GLU A 135 56.583 8.267 9.653 1.00 0.74 N ATOM 770 CA GLU A 135 57.596 7.602 10.523 1.00 0.76 C ATOM 771 C GLU A 135 58.236 6.424 9.784 1.00 0.66 C ATOM 772 O GLU A 135 59.227 5.871 10.220 1.00 0.74 O ATOM 773 CB GLU A 135 56.810 7.110 11.740 1.00 0.88 C ATOM 774 CG GLU A 135 57.027 8.072 12.911 1.00 1.20 C ATOM 775 CD GLU A 135 56.522 9.465 12.526 1.00 1.48 C ATOM 776 OE1 GLU A 135 57.246 10.167 11.840 1.00 2.16 O ATOM 777 OE2 GLU A 135 55.420 9.805 12.924 1.00 1.95 O ATOM 0 H GLU A 135 55.626 7.931 9.765 1.00 0.74 H new ATOM 0 HA GLU A 135 58.405 8.276 10.805 1.00 0.76 H new ATOM 0 HB2 GLU A 135 55.749 7.047 11.499 1.00 0.88 H new ATOM 0 HB3 GLU A 135 57.135 6.107 12.015 1.00 0.88 H new ATOM 0 HG2 GLU A 135 56.498 7.713 13.794 1.00 1.20 H new ATOM 0 HG3 GLU A 135 58.085 8.115 13.169 1.00 1.20 H new ATOM 784 N LEU A 136 57.678 6.035 8.671 1.00 0.62 N ATOM 785 CA LEU A 136 58.256 4.893 7.907 1.00 0.66 C ATOM 786 C LEU A 136 59.578 5.308 7.254 1.00 0.61 C ATOM 787 O LEU A 136 60.618 4.735 7.518 1.00 0.70 O ATOM 788 CB LEU A 136 57.212 4.561 6.840 1.00 0.77 C ATOM 789 CG LEU A 136 56.342 3.398 7.320 1.00 0.86 C ATOM 790 CD1 LEU A 136 57.159 2.106 7.298 1.00 1.63 C ATOM 791 CD2 LEU A 136 55.867 3.675 8.749 1.00 1.38 C ATOM 0 H LEU A 136 56.847 6.458 8.257 1.00 0.62 H new ATOM 0 HA LEU A 136 58.473 4.037 8.546 1.00 0.66 H new ATOM 0 HB2 LEU A 136 56.591 5.434 6.639 1.00 0.77 H new ATOM 0 HB3 LEU A 136 57.705 4.298 5.904 1.00 0.77 H new ATOM 0 HG LEU A 136 55.479 3.293 6.662 1.00 0.86 H new ATOM 0 HD11 LEU A 136 56.539 1.277 7.640 1.00 1.63 H new ATOM 0 HD12 LEU A 136 57.500 1.908 6.282 1.00 1.63 H new ATOM 0 HD13 LEU A 136 58.021 2.210 7.956 1.00 1.63 H new ATOM 0 HD21 LEU A 136 55.247 2.847 9.093 1.00 1.38 H new ATOM 0 HD22 LEU A 136 56.731 3.779 9.406 1.00 1.38 H new ATOM 0 HD23 LEU A 136 55.285 4.596 8.767 1.00 1.38 H new ATOM 803 N MET A 137 59.548 6.298 6.405 1.00 0.55 N ATOM 804 CA MET A 137 60.804 6.746 5.740 1.00 0.59 C ATOM 805 C MET A 137 61.754 7.367 6.768 1.00 0.65 C ATOM 806 O MET A 137 62.904 7.637 6.481 1.00 0.81 O ATOM 807 CB MET A 137 60.358 7.793 4.717 1.00 0.60 C ATOM 808 CG MET A 137 61.573 8.593 4.243 1.00 0.96 C ATOM 809 SD MET A 137 62.841 7.460 3.626 1.00 1.23 S ATOM 810 CE MET A 137 61.894 6.792 2.237 1.00 1.35 C ATOM 0 H MET A 137 58.709 6.816 6.143 1.00 0.55 H new ATOM 0 HA MET A 137 61.341 5.922 5.271 1.00 0.59 H new ATOM 0 HB2 MET A 137 59.876 7.306 3.869 1.00 0.60 H new ATOM 0 HB3 MET A 137 59.621 8.461 5.162 1.00 0.60 H new ATOM 0 HG2 MET A 137 61.279 9.289 3.457 1.00 0.96 H new ATOM 0 HG3 MET A 137 61.972 9.189 5.064 1.00 0.96 H new ATOM 0 HE1 MET A 137 62.556 6.642 1.384 1.00 1.35 H new ATOM 0 HE2 MET A 137 61.450 5.839 2.524 1.00 1.35 H new ATOM 0 HE3 MET A 137 61.105 7.493 1.964 1.00 1.35 H new ATOM 820 N LYS A 138 61.285 7.594 7.964 1.00 0.62 N ATOM 821 CA LYS A 138 62.163 8.196 9.008 1.00 0.79 C ATOM 822 C LYS A 138 63.308 7.239 9.350 1.00 0.86 C ATOM 823 O LYS A 138 64.445 7.461 8.984 1.00 1.16 O ATOM 824 CB LYS A 138 61.257 8.403 10.222 1.00 0.87 C ATOM 825 CG LYS A 138 62.054 9.072 11.344 1.00 1.55 C ATOM 826 CD LYS A 138 61.184 9.170 12.600 1.00 2.07 C ATOM 827 CE LYS A 138 61.770 10.221 13.545 1.00 2.85 C ATOM 828 NZ LYS A 138 61.338 11.529 12.979 1.00 3.36 N ATOM 0 H LYS A 138 60.332 7.389 8.264 1.00 0.62 H new ATOM 0 HA LYS A 138 62.616 9.130 8.676 1.00 0.79 H new ATOM 0 HB2 LYS A 138 60.402 9.022 9.950 1.00 0.87 H new ATOM 0 HB3 LYS A 138 60.862 7.446 10.562 1.00 0.87 H new ATOM 0 HG2 LYS A 138 62.955 8.497 11.557 1.00 1.55 H new ATOM 0 HG3 LYS A 138 62.376 10.066 11.033 1.00 1.55 H new ATOM 0 HD2 LYS A 138 60.163 9.438 12.328 1.00 2.07 H new ATOM 0 HD3 LYS A 138 61.137 8.202 13.099 1.00 2.07 H new ATOM 0 HE2 LYS A 138 61.399 10.089 14.561 1.00 2.85 H new ATOM 0 HE3 LYS A 138 62.857 10.150 13.590 1.00 2.85 H new ATOM 0 HZ1 LYS A 138 62.146 12.183 12.960 1.00 3.36 H new ATOM 0 HZ2 LYS A 138 60.984 11.389 12.011 1.00 3.36 H new ATOM 0 HZ3 LYS A 138 60.582 11.930 13.570 1.00 3.36 H new ATOM 842 N ASP A 139 63.016 6.177 10.049 1.00 0.71 N ATOM 843 CA ASP A 139 64.087 5.206 10.413 1.00 0.85 C ATOM 844 C ASP A 139 64.538 4.428 9.174 1.00 0.85 C ATOM 845 O ASP A 139 65.628 3.890 9.129 1.00 1.02 O ATOM 846 CB ASP A 139 63.440 4.267 11.432 1.00 0.97 C ATOM 847 CG ASP A 139 64.516 3.706 12.364 1.00 1.50 C ATOM 848 OD1 ASP A 139 65.219 4.500 12.970 1.00 2.33 O ATOM 849 OD2 ASP A 139 64.619 2.495 12.457 1.00 1.80 O ATOM 0 H ASP A 139 62.082 5.939 10.384 1.00 0.71 H new ATOM 0 HA ASP A 139 64.972 5.698 10.817 1.00 0.85 H new ATOM 0 HB2 ASP A 139 62.687 4.803 12.010 1.00 0.97 H new ATOM 0 HB3 ASP A 139 62.928 3.453 10.919 1.00 0.97 H new ATOM 854 N GLY A 140 63.709 4.362 8.168 1.00 0.81 N ATOM 855 CA GLY A 140 64.092 3.619 6.934 1.00 0.86 C ATOM 856 C GLY A 140 65.362 4.231 6.342 1.00 0.77 C ATOM 857 O GLY A 140 66.213 3.536 5.821 1.00 0.86 O ATOM 0 H GLY A 140 62.784 4.790 8.147 1.00 0.81 H new ATOM 0 HA2 GLY A 140 64.257 2.567 7.167 1.00 0.86 H new ATOM 0 HA3 GLY A 140 63.282 3.661 6.206 1.00 0.86 H new ATOM 861 N ASP A 141 65.497 5.526 6.416 1.00 0.70 N ATOM 862 CA ASP A 141 66.712 6.183 5.856 1.00 0.66 C ATOM 863 C ASP A 141 67.937 5.852 6.713 1.00 0.74 C ATOM 864 O ASP A 141 68.124 6.399 7.783 1.00 0.87 O ATOM 865 CB ASP A 141 66.407 7.681 5.906 1.00 0.66 C ATOM 866 CG ASP A 141 66.567 8.288 4.511 1.00 0.76 C ATOM 867 OD1 ASP A 141 66.760 7.532 3.573 1.00 0.92 O ATOM 868 OD2 ASP A 141 66.495 9.502 4.402 1.00 0.83 O ATOM 0 H ASP A 141 64.818 6.158 6.840 1.00 0.70 H new ATOM 0 HA ASP A 141 66.936 5.846 4.844 1.00 0.66 H new ATOM 0 HB2 ASP A 141 65.392 7.843 6.269 1.00 0.66 H new ATOM 0 HB3 ASP A 141 67.079 8.175 6.607 1.00 0.66 H new ATOM 873 N LYS A 142 68.773 4.962 6.252 1.00 0.75 N ATOM 874 CA LYS A 142 69.985 4.597 7.039 1.00 0.87 C ATOM 875 C LYS A 142 70.958 5.778 7.085 1.00 0.89 C ATOM 876 O LYS A 142 71.884 5.802 7.872 1.00 1.05 O ATOM 877 CB LYS A 142 70.604 3.419 6.286 1.00 0.89 C ATOM 878 CG LYS A 142 71.693 2.777 7.148 1.00 1.24 C ATOM 879 CD LYS A 142 72.364 1.648 6.365 1.00 1.26 C ATOM 880 CE LYS A 142 72.715 0.502 7.319 1.00 1.55 C ATOM 881 NZ LYS A 142 74.192 0.347 7.206 1.00 1.99 N ATOM 0 H LYS A 142 68.669 4.472 5.364 1.00 0.75 H new ATOM 0 HA LYS A 142 69.748 4.341 8.072 1.00 0.87 H new ATOM 0 HB2 LYS A 142 69.836 2.684 6.045 1.00 0.89 H new ATOM 0 HB3 LYS A 142 71.027 3.760 5.341 1.00 0.89 H new ATOM 0 HG2 LYS A 142 72.433 3.525 7.435 1.00 1.24 H new ATOM 0 HG3 LYS A 142 71.260 2.387 8.069 1.00 1.24 H new ATOM 0 HD2 LYS A 142 71.698 1.290 5.580 1.00 1.26 H new ATOM 0 HD3 LYS A 142 73.265 2.017 5.875 1.00 1.26 H new ATOM 0 HE2 LYS A 142 72.419 0.735 8.342 1.00 1.55 H new ATOM 0 HE3 LYS A 142 72.199 -0.417 7.040 1.00 1.55 H new ATOM 0 HZ1 LYS A 142 74.509 -0.421 7.831 1.00 1.99 H new ATOM 0 HZ2 LYS A 142 74.443 0.119 6.223 1.00 1.99 H new ATOM 0 HZ3 LYS A 142 74.657 1.235 7.485 1.00 1.99 H new ATOM 895 N ASN A 143 70.757 6.757 6.246 1.00 0.85 N ATOM 896 CA ASN A 143 71.671 7.936 6.242 1.00 1.05 C ATOM 897 C ASN A 143 70.861 9.233 6.311 1.00 1.07 C ATOM 898 O ASN A 143 71.403 10.319 6.247 1.00 1.56 O ATOM 899 CB ASN A 143 72.429 7.846 4.917 1.00 1.08 C ATOM 900 CG ASN A 143 71.468 8.125 3.759 1.00 1.05 C ATOM 901 OD1 ASN A 143 70.280 8.273 3.963 1.00 0.98 O ATOM 902 ND2 ASN A 143 71.937 8.201 2.543 1.00 1.48 N ATOM 0 H ASN A 143 70.000 6.792 5.563 1.00 0.85 H new ATOM 0 HA ASN A 143 72.346 7.938 7.098 1.00 1.05 H new ATOM 0 HB2 ASN A 143 73.248 8.565 4.905 1.00 1.08 H new ATOM 0 HB3 ASN A 143 72.872 6.856 4.806 1.00 1.08 H new ATOM 0 HD21 ASN A 143 71.305 8.385 1.763 1.00 1.48 H new ATOM 0 HD22 ASN A 143 72.935 8.077 2.373 1.00 1.48 H new ATOM 909 N ASN A 144 69.567 9.128 6.441 1.00 0.78 N ATOM 910 CA ASN A 144 68.721 10.353 6.516 1.00 0.82 C ATOM 911 C ASN A 144 69.188 11.384 5.483 1.00 0.82 C ATOM 912 O ASN A 144 69.620 12.467 5.823 1.00 0.92 O ATOM 913 CB ASN A 144 68.922 10.887 7.935 1.00 0.95 C ATOM 914 CG ASN A 144 67.973 10.161 8.890 1.00 1.47 C ATOM 915 OD1 ASN A 144 66.827 10.540 9.031 1.00 2.28 O ATOM 916 ND2 ASN A 144 68.404 9.126 9.559 1.00 1.93 N ATOM 0 H ASN A 144 69.058 8.246 6.499 1.00 0.78 H new ATOM 0 HA ASN A 144 67.673 10.144 6.304 1.00 0.82 H new ATOM 0 HB2 ASN A 144 69.955 10.738 8.248 1.00 0.95 H new ATOM 0 HB3 ASN A 144 68.732 11.960 7.962 1.00 0.95 H new ATOM 0 HD21 ASN A 144 67.779 8.636 10.199 1.00 1.93 H new ATOM 0 HD22 ASN A 144 69.366 8.807 9.441 1.00 1.93 H new ATOM 923 N ASP A 145 69.101 11.055 4.223 1.00 0.75 N ATOM 924 CA ASP A 145 69.538 12.015 3.169 1.00 0.78 C ATOM 925 C ASP A 145 68.346 12.422 2.298 1.00 0.74 C ATOM 926 O ASP A 145 68.438 13.317 1.482 1.00 0.81 O ATOM 927 CB ASP A 145 70.572 11.252 2.341 1.00 0.76 C ATOM 928 CG ASP A 145 69.865 10.212 1.469 1.00 1.12 C ATOM 929 OD1 ASP A 145 68.987 9.537 1.980 1.00 1.72 O ATOM 930 OD2 ASP A 145 70.214 10.109 0.304 1.00 1.85 O ATOM 0 H ASP A 145 68.746 10.163 3.878 1.00 0.75 H new ATOM 0 HA ASP A 145 69.951 12.931 3.591 1.00 0.78 H new ATOM 0 HB2 ASP A 145 71.134 11.945 1.715 1.00 0.76 H new ATOM 0 HB3 ASP A 145 71.290 10.762 2.999 1.00 0.76 H new ATOM 935 N GLY A 146 67.229 11.768 2.464 1.00 0.69 N ATOM 936 CA GLY A 146 66.034 12.115 1.645 1.00 0.70 C ATOM 937 C GLY A 146 65.712 10.958 0.699 1.00 0.58 C ATOM 938 O GLY A 146 64.590 10.495 0.628 1.00 0.62 O ATOM 0 H GLY A 146 67.093 11.009 3.131 1.00 0.69 H new ATOM 0 HA2 GLY A 146 65.181 12.317 2.293 1.00 0.70 H new ATOM 0 HA3 GLY A 146 66.223 13.024 1.074 1.00 0.70 H new ATOM 942 N ARG A 147 66.686 10.485 -0.028 1.00 0.54 N ATOM 943 CA ARG A 147 66.435 9.356 -0.970 1.00 0.49 C ATOM 944 C ARG A 147 66.845 8.029 -0.327 1.00 0.44 C ATOM 945 O ARG A 147 67.551 7.998 0.663 1.00 0.56 O ATOM 946 CB ARG A 147 67.308 9.656 -2.189 1.00 0.57 C ATOM 947 CG ARG A 147 66.729 10.853 -2.946 1.00 0.78 C ATOM 948 CD ARG A 147 67.869 11.734 -3.462 1.00 0.73 C ATOM 949 NE ARG A 147 68.325 12.506 -2.273 1.00 1.07 N ATOM 950 CZ ARG A 147 69.407 13.231 -2.342 1.00 1.60 C ATOM 951 NH1 ARG A 147 69.586 14.043 -3.349 1.00 2.32 N ATOM 952 NH2 ARG A 147 70.310 13.147 -1.403 1.00 2.22 N ATOM 0 H ARG A 147 67.645 10.831 -0.011 1.00 0.54 H new ATOM 0 HA ARG A 147 65.382 9.266 -1.236 1.00 0.49 H new ATOM 0 HB2 ARG A 147 68.330 9.870 -1.875 1.00 0.57 H new ATOM 0 HB3 ARG A 147 67.351 8.785 -2.842 1.00 0.57 H new ATOM 0 HG2 ARG A 147 66.117 10.508 -3.779 1.00 0.78 H new ATOM 0 HG3 ARG A 147 66.078 11.431 -2.290 1.00 0.78 H new ATOM 0 HD2 ARG A 147 68.678 11.132 -3.876 1.00 0.73 H new ATOM 0 HD3 ARG A 147 67.527 12.397 -4.256 1.00 0.73 H new ATOM 0 HE ARG A 147 67.791 12.468 -1.405 1.00 1.07 H new ATOM 0 HH11 ARG A 147 68.880 14.110 -4.082 1.00 2.32 H new ATOM 0 HH12 ARG A 147 70.432 14.610 -3.403 1.00 2.32 H new ATOM 0 HH21 ARG A 147 70.169 12.514 -0.615 1.00 2.22 H new ATOM 0 HH22 ARG A 147 71.156 13.714 -1.457 1.00 2.22 H new ATOM 966 N ILE A 148 66.409 6.930 -0.882 1.00 0.35 N ATOM 967 CA ILE A 148 66.772 5.605 -0.302 1.00 0.36 C ATOM 968 C ILE A 148 67.378 4.708 -1.391 1.00 0.40 C ATOM 969 O ILE A 148 66.931 4.694 -2.520 1.00 0.41 O ATOM 970 CB ILE A 148 65.445 5.036 0.227 1.00 0.35 C ATOM 971 CG1 ILE A 148 65.270 5.456 1.692 1.00 0.40 C ATOM 972 CG2 ILE A 148 65.441 3.505 0.134 1.00 0.43 C ATOM 973 CD1 ILE A 148 64.141 4.643 2.331 1.00 0.40 C ATOM 0 H ILE A 148 65.817 6.893 -1.712 1.00 0.35 H new ATOM 0 HA ILE A 148 67.519 5.674 0.489 1.00 0.36 H new ATOM 0 HB ILE A 148 64.626 5.425 -0.377 1.00 0.35 H new ATOM 0 HG12 ILE A 148 66.199 5.298 2.239 1.00 0.40 H new ATOM 0 HG13 ILE A 148 65.043 6.520 1.750 1.00 0.40 H new ATOM 0 HG21 ILE A 148 64.494 3.120 0.513 1.00 0.43 H new ATOM 0 HG22 ILE A 148 65.565 3.203 -0.906 1.00 0.43 H new ATOM 0 HG23 ILE A 148 66.261 3.102 0.729 1.00 0.43 H new ATOM 0 HD11 ILE A 148 64.020 4.944 3.372 1.00 0.40 H new ATOM 0 HD12 ILE A 148 63.212 4.823 1.790 1.00 0.40 H new ATOM 0 HD13 ILE A 148 64.387 3.582 2.287 1.00 0.40 H new ATOM 985 N ASP A 149 68.392 3.957 -1.052 1.00 0.47 N ATOM 986 CA ASP A 149 69.029 3.060 -2.062 1.00 0.55 C ATOM 987 C ASP A 149 68.787 1.593 -1.693 1.00 0.58 C ATOM 988 O ASP A 149 68.030 1.287 -0.793 1.00 0.54 O ATOM 989 CB ASP A 149 70.525 3.387 -2.017 1.00 0.65 C ATOM 990 CG ASP A 149 70.976 3.564 -0.565 1.00 1.32 C ATOM 991 OD1 ASP A 149 71.075 2.566 0.130 1.00 2.16 O ATOM 992 OD2 ASP A 149 71.215 4.695 -0.174 1.00 2.00 O ATOM 0 H ASP A 149 68.807 3.925 -0.121 1.00 0.47 H new ATOM 0 HA ASP A 149 68.616 3.211 -3.059 1.00 0.55 H new ATOM 0 HB2 ASP A 149 71.095 2.587 -2.489 1.00 0.65 H new ATOM 0 HB3 ASP A 149 70.724 4.297 -2.582 1.00 0.65 H new ATOM 997 N TYR A 150 69.420 0.685 -2.383 1.00 0.67 N ATOM 998 CA TYR A 150 69.220 -0.762 -2.073 1.00 0.73 C ATOM 999 C TYR A 150 69.781 -1.100 -0.689 1.00 0.75 C ATOM 1000 O TYR A 150 69.500 -2.145 -0.136 1.00 0.76 O ATOM 1001 CB TYR A 150 69.994 -1.510 -3.160 1.00 0.84 C ATOM 1002 CG TYR A 150 69.776 -2.995 -2.999 1.00 0.97 C ATOM 1003 CD1 TYR A 150 68.505 -3.482 -2.673 1.00 1.63 C ATOM 1004 CD2 TYR A 150 70.843 -3.884 -3.175 1.00 1.74 C ATOM 1005 CE1 TYR A 150 68.300 -4.859 -2.523 1.00 2.06 C ATOM 1006 CE2 TYR A 150 70.639 -5.261 -3.025 1.00 2.14 C ATOM 1007 CZ TYR A 150 69.367 -5.748 -2.699 1.00 2.02 C ATOM 1008 OH TYR A 150 69.165 -7.105 -2.548 1.00 2.63 O ATOM 0 H TYR A 150 70.067 0.880 -3.147 1.00 0.67 H new ATOM 0 HA TYR A 150 68.165 -1.034 -2.058 1.00 0.73 H new ATOM 0 HB2 TYR A 150 69.661 -1.187 -4.146 1.00 0.84 H new ATOM 0 HB3 TYR A 150 71.057 -1.278 -3.090 1.00 0.84 H new ATOM 0 HD1 TYR A 150 67.682 -2.796 -2.537 1.00 1.63 H new ATOM 0 HD2 TYR A 150 71.824 -3.508 -3.426 1.00 1.74 H new ATOM 0 HE1 TYR A 150 67.319 -5.235 -2.272 1.00 2.06 H new ATOM 0 HE2 TYR A 150 71.462 -5.947 -3.161 1.00 2.14 H new ATOM 0 HH TYR A 150 70.007 -7.581 -2.705 1.00 2.63 H new ATOM 1018 N ASP A 151 70.573 -0.229 -0.125 1.00 0.78 N ATOM 1019 CA ASP A 151 71.150 -0.512 1.222 1.00 0.82 C ATOM 1020 C ASP A 151 70.162 -0.114 2.323 1.00 0.74 C ATOM 1021 O ASP A 151 69.955 -0.841 3.274 1.00 0.76 O ATOM 1022 CB ASP A 151 72.413 0.346 1.299 1.00 0.87 C ATOM 1023 CG ASP A 151 73.647 -0.561 1.288 1.00 1.31 C ATOM 1024 OD1 ASP A 151 73.698 -1.446 0.452 1.00 1.67 O ATOM 1025 OD2 ASP A 151 74.518 -0.352 2.116 1.00 2.08 O ATOM 0 H ASP A 151 70.845 0.664 -0.536 1.00 0.78 H new ATOM 0 HA ASP A 151 71.365 -1.571 1.362 1.00 0.82 H new ATOM 0 HB2 ASP A 151 72.448 1.037 0.456 1.00 0.87 H new ATOM 0 HB3 ASP A 151 72.400 0.950 2.206 1.00 0.87 H new ATOM 1030 N GLU A 152 69.552 1.034 2.202 1.00 0.67 N ATOM 1031 CA GLU A 152 68.579 1.474 3.245 1.00 0.61 C ATOM 1032 C GLU A 152 67.248 0.740 3.067 1.00 0.58 C ATOM 1033 O GLU A 152 66.689 0.208 4.007 1.00 0.58 O ATOM 1034 CB GLU A 152 68.401 2.976 3.017 1.00 0.59 C ATOM 1035 CG GLU A 152 69.764 3.625 2.762 1.00 0.76 C ATOM 1036 CD GLU A 152 69.723 5.089 3.199 1.00 0.75 C ATOM 1037 OE1 GLU A 152 68.634 5.635 3.272 1.00 1.39 O ATOM 1038 OE2 GLU A 152 70.781 5.641 3.454 1.00 1.20 O ATOM 0 H GLU A 152 69.684 1.685 1.428 1.00 0.67 H new ATOM 0 HA GLU A 152 68.929 1.257 4.254 1.00 0.61 H new ATOM 0 HB2 GLU A 152 67.741 3.149 2.167 1.00 0.59 H new ATOM 0 HB3 GLU A 152 67.927 3.432 3.886 1.00 0.59 H new ATOM 0 HG2 GLU A 152 70.540 3.092 3.311 1.00 0.76 H new ATOM 0 HG3 GLU A 152 70.018 3.557 1.704 1.00 0.76 H new ATOM 1045 N PHE A 153 66.736 0.704 1.867 1.00 0.60 N ATOM 1046 CA PHE A 153 65.443 0.002 1.626 1.00 0.61 C ATOM 1047 C PHE A 153 65.554 -1.469 2.037 1.00 0.66 C ATOM 1048 O PHE A 153 64.608 -2.061 2.517 1.00 0.71 O ATOM 1049 CB PHE A 153 65.199 0.125 0.120 1.00 0.64 C ATOM 1050 CG PHE A 153 64.126 -0.850 -0.301 1.00 0.68 C ATOM 1051 CD1 PHE A 153 64.442 -2.200 -0.496 1.00 1.18 C ATOM 1052 CD2 PHE A 153 62.813 -0.404 -0.496 1.00 1.47 C ATOM 1053 CE1 PHE A 153 63.446 -3.104 -0.885 1.00 1.24 C ATOM 1054 CE2 PHE A 153 61.817 -1.308 -0.885 1.00 1.55 C ATOM 1055 CZ PHE A 153 62.134 -2.657 -1.079 1.00 0.93 C ATOM 0 H PHE A 153 67.158 1.131 1.042 1.00 0.60 H new ATOM 0 HA PHE A 153 64.626 0.431 2.206 1.00 0.61 H new ATOM 0 HB2 PHE A 153 64.897 1.143 -0.128 1.00 0.64 H new ATOM 0 HB3 PHE A 153 66.121 -0.076 -0.426 1.00 0.64 H new ATOM 0 HD1 PHE A 153 65.455 -2.544 -0.346 1.00 1.18 H new ATOM 0 HD2 PHE A 153 62.569 0.637 -0.346 1.00 1.47 H new ATOM 0 HE1 PHE A 153 63.690 -4.145 -1.035 1.00 1.24 H new ATOM 0 HE2 PHE A 153 60.804 -0.964 -1.035 1.00 1.55 H new ATOM 0 HZ PHE A 153 61.365 -3.354 -1.379 1.00 0.93 H new ATOM 1065 N LEU A 154 66.701 -2.063 1.855 1.00 0.72 N ATOM 1066 CA LEU A 154 66.865 -3.493 2.239 1.00 0.80 C ATOM 1067 C LEU A 154 66.470 -3.689 3.705 1.00 0.79 C ATOM 1068 O LEU A 154 65.845 -4.667 4.064 1.00 0.82 O ATOM 1069 CB LEU A 154 68.350 -3.794 2.036 1.00 0.92 C ATOM 1070 CG LEU A 154 68.525 -4.724 0.834 1.00 0.85 C ATOM 1071 CD1 LEU A 154 70.015 -4.922 0.552 1.00 1.74 C ATOM 1072 CD2 LEU A 154 67.882 -6.079 1.140 1.00 1.54 C ATOM 0 H LEU A 154 67.530 -1.621 1.458 1.00 0.72 H new ATOM 0 HA LEU A 154 66.235 -4.156 1.647 1.00 0.80 H new ATOM 0 HB2 LEU A 154 68.901 -2.867 1.875 1.00 0.92 H new ATOM 0 HB3 LEU A 154 68.763 -4.259 2.931 1.00 0.92 H new ATOM 0 HG LEU A 154 68.046 -4.281 -0.039 1.00 0.85 H new ATOM 0 HD11 LEU A 154 70.138 -5.585 -0.305 1.00 1.74 H new ATOM 0 HD12 LEU A 154 70.475 -3.958 0.334 1.00 1.74 H new ATOM 0 HD13 LEU A 154 70.495 -5.364 1.425 1.00 1.74 H new ATOM 0 HD21 LEU A 154 68.006 -6.742 0.284 1.00 1.54 H new ATOM 0 HD22 LEU A 154 68.362 -6.520 2.014 1.00 1.54 H new ATOM 0 HD23 LEU A 154 66.820 -5.941 1.341 1.00 1.54 H new ATOM 1084 N GLU A 155 66.825 -2.762 4.553 1.00 0.79 N ATOM 1085 CA GLU A 155 66.464 -2.893 5.994 1.00 0.82 C ATOM 1086 C GLU A 155 65.086 -2.275 6.244 1.00 0.81 C ATOM 1087 O GLU A 155 64.443 -2.548 7.238 1.00 0.90 O ATOM 1088 CB GLU A 155 67.545 -2.119 6.747 1.00 0.85 C ATOM 1089 CG GLU A 155 68.562 -3.101 7.334 1.00 0.95 C ATOM 1090 CD GLU A 155 69.633 -3.412 6.287 1.00 1.67 C ATOM 1091 OE1 GLU A 155 69.353 -3.241 5.112 1.00 2.27 O ATOM 1092 OE2 GLU A 155 70.715 -3.817 6.679 1.00 2.47 O ATOM 0 H GLU A 155 67.349 -1.921 4.311 1.00 0.79 H new ATOM 0 HA GLU A 155 66.413 -3.933 6.317 1.00 0.82 H new ATOM 0 HB2 GLU A 155 68.044 -1.422 6.074 1.00 0.85 H new ATOM 0 HB3 GLU A 155 67.095 -1.526 7.543 1.00 0.85 H new ATOM 0 HG2 GLU A 155 69.022 -2.675 8.225 1.00 0.95 H new ATOM 0 HG3 GLU A 155 68.061 -4.019 7.642 1.00 0.95 H new ATOM 1099 N PHE A 156 64.629 -1.446 5.346 1.00 0.75 N ATOM 1100 CA PHE A 156 63.292 -0.812 5.527 1.00 0.78 C ATOM 1101 C PHE A 156 62.206 -1.887 5.614 1.00 0.84 C ATOM 1102 O PHE A 156 61.379 -1.877 6.503 1.00 0.90 O ATOM 1103 CB PHE A 156 63.093 0.053 4.281 1.00 0.78 C ATOM 1104 CG PHE A 156 61.708 0.652 4.295 1.00 0.85 C ATOM 1105 CD1 PHE A 156 61.451 1.805 5.046 1.00 1.27 C ATOM 1106 CD2 PHE A 156 60.679 0.055 3.556 1.00 1.66 C ATOM 1107 CE1 PHE A 156 60.166 2.362 5.058 1.00 1.31 C ATOM 1108 CE2 PHE A 156 59.395 0.613 3.568 1.00 1.77 C ATOM 1109 CZ PHE A 156 59.138 1.766 4.319 1.00 1.10 C ATOM 0 H PHE A 156 65.124 -1.180 4.494 1.00 0.75 H new ATOM 0 HA PHE A 156 63.232 -0.226 6.444 1.00 0.78 H new ATOM 0 HB2 PHE A 156 63.842 0.844 4.252 1.00 0.78 H new ATOM 0 HB3 PHE A 156 63.231 -0.549 3.383 1.00 0.78 H new ATOM 0 HD1 PHE A 156 62.244 2.265 5.617 1.00 1.27 H new ATOM 0 HD2 PHE A 156 60.876 -0.835 2.977 1.00 1.66 H new ATOM 0 HE1 PHE A 156 59.969 3.252 5.638 1.00 1.31 H new ATOM 0 HE2 PHE A 156 58.602 0.153 2.997 1.00 1.77 H new ATOM 0 HZ PHE A 156 58.147 2.195 4.328 1.00 1.10 H new ATOM 1119 N MET A 157 62.207 -2.817 4.698 1.00 0.86 N ATOM 1120 CA MET A 157 61.177 -3.895 4.729 1.00 0.95 C ATOM 1121 C MET A 157 61.425 -4.826 5.920 1.00 0.99 C ATOM 1122 O MET A 157 60.503 -5.260 6.583 1.00 1.12 O ATOM 1123 CB MET A 157 61.351 -4.651 3.413 1.00 0.99 C ATOM 1124 CG MET A 157 60.114 -5.514 3.154 1.00 1.28 C ATOM 1125 SD MET A 157 60.169 -6.153 1.461 1.00 1.48 S ATOM 1126 CE MET A 157 59.994 -4.565 0.613 1.00 1.12 C ATOM 0 H MET A 157 62.876 -2.877 3.930 1.00 0.86 H new ATOM 0 HA MET A 157 60.168 -3.498 4.838 1.00 0.95 H new ATOM 0 HB2 MET A 157 61.495 -3.947 2.593 1.00 0.99 H new ATOM 0 HB3 MET A 157 62.242 -5.277 3.456 1.00 0.99 H new ATOM 0 HG2 MET A 157 60.078 -6.340 3.865 1.00 1.28 H new ATOM 0 HG3 MET A 157 59.209 -4.925 3.303 1.00 1.28 H new ATOM 0 HE1 MET A 157 59.860 -4.736 -0.455 1.00 1.12 H new ATOM 0 HE2 MET A 157 59.127 -4.036 1.007 1.00 1.12 H new ATOM 0 HE3 MET A 157 60.890 -3.965 0.775 1.00 1.12 H new ATOM 1136 N LYS A 158 62.662 -5.136 6.197 1.00 0.94 N ATOM 1137 CA LYS A 158 62.965 -6.037 7.346 1.00 1.02 C ATOM 1138 C LYS A 158 62.426 -5.434 8.645 1.00 1.05 C ATOM 1139 O LYS A 158 61.443 -5.893 9.194 1.00 1.20 O ATOM 1140 CB LYS A 158 64.491 -6.123 7.390 1.00 1.07 C ATOM 1141 CG LYS A 158 64.989 -6.971 6.218 1.00 1.26 C ATOM 1142 CD LYS A 158 66.212 -7.779 6.657 1.00 1.53 C ATOM 1143 CE LYS A 158 67.382 -6.831 6.927 1.00 1.45 C ATOM 1144 NZ LYS A 158 67.914 -7.242 8.256 1.00 2.07 N ATOM 0 H LYS A 158 63.475 -4.805 5.678 1.00 0.94 H new ATOM 0 HA LYS A 158 62.504 -7.018 7.234 1.00 1.02 H new ATOM 0 HB2 LYS A 158 64.924 -5.124 7.339 1.00 1.07 H new ATOM 0 HB3 LYS A 158 64.814 -6.563 8.334 1.00 1.07 H new ATOM 0 HG2 LYS A 158 64.199 -7.642 5.879 1.00 1.26 H new ATOM 0 HG3 LYS A 158 65.247 -6.330 5.375 1.00 1.26 H new ATOM 0 HD2 LYS A 158 65.979 -8.351 7.555 1.00 1.53 H new ATOM 0 HD3 LYS A 158 66.483 -8.497 5.883 1.00 1.53 H new ATOM 0 HE2 LYS A 158 68.145 -6.916 6.153 1.00 1.45 H new ATOM 0 HE3 LYS A 158 67.053 -5.792 6.938 1.00 1.45 H new ATOM 0 HZ1 LYS A 158 68.720 -6.636 8.510 1.00 2.07 H new ATOM 0 HZ2 LYS A 158 67.168 -7.144 8.974 1.00 2.07 H new ATOM 0 HZ3 LYS A 158 68.226 -8.233 8.214 1.00 2.07 H new