USER MOD reduce.3.24.130724 H: found=0, std=0, add=449, rem=0, adj=8 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 Set 1.1: A 120 MET CE :methyl -148:sc= -1.28 (180deg=0) USER MOD Set 1.2: A 157 MET CE :methyl -174:sc= -1.15 (180deg=-0.211) USER MOD Single : A 98 SER OG : rot 180:sc= -0.425 USER MOD Single : A 103 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 106 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 107 ASN : amide:sc= -4.72! C(o=-4.7!,f=-10!) USER MOD Single : A 111 TYR OH : rot 180:sc= 0 USER MOD Single : A 118 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 122 GLN : amide:sc= 0 X(o=0,f=-0.057) USER MOD Single : A 129 THR OG1 : rot -37:sc= -0.379 USER MOD Single : A 137 MET CE :methyl 153:sc= -0.509 (180deg=-1.76!) USER MOD Single : A 138 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 142 LYS NZ :NH3+ -163:sc= 0 (180deg=-0.273) USER MOD Single : A 143 ASN : amide:sc= -2.05 K(o=-2.1,f=-10!) USER MOD Single : A 144 ASN : amide:sc= -0.0114 X(o=-0.011,f=-0.26) USER MOD Single : A 150 TYR OH : rot -86:sc= -1.89! USER MOD Single : A 158 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD ----------------------------------------------------------------- ATOM 155 N GLU A 96 63.676 -11.247 -3.132 1.00 1.38 N ATOM 156 CA GLU A 96 62.343 -10.604 -3.307 1.00 1.34 C ATOM 157 C GLU A 96 62.395 -9.145 -2.843 1.00 1.16 C ATOM 158 O GLU A 96 61.841 -8.265 -3.471 1.00 1.07 O ATOM 159 CB GLU A 96 61.394 -11.414 -2.422 1.00 1.51 C ATOM 160 CG GLU A 96 60.713 -12.498 -3.261 1.00 2.07 C ATOM 161 CD GLU A 96 59.549 -11.883 -4.040 1.00 2.19 C ATOM 162 OE1 GLU A 96 58.904 -10.997 -3.502 1.00 2.60 O ATOM 163 OE2 GLU A 96 59.322 -12.308 -5.160 1.00 2.61 O ATOM 0 HA GLU A 96 62.022 -10.595 -4.349 1.00 1.34 H new ATOM 0 HB2 GLU A 96 61.946 -11.869 -1.600 1.00 1.51 H new ATOM 0 HB3 GLU A 96 60.645 -10.758 -1.979 1.00 1.51 H new ATOM 0 HG2 GLU A 96 61.430 -12.944 -3.950 1.00 2.07 H new ATOM 0 HG3 GLU A 96 60.350 -13.298 -2.616 1.00 2.07 H new ATOM 170 N LEU A 97 63.056 -8.883 -1.749 1.00 1.14 N ATOM 171 CA LEU A 97 63.142 -7.480 -1.247 1.00 0.99 C ATOM 172 C LEU A 97 63.884 -6.601 -2.257 1.00 0.82 C ATOM 173 O LEU A 97 63.426 -5.537 -2.623 1.00 0.70 O ATOM 174 CB LEU A 97 63.927 -7.574 0.062 1.00 1.03 C ATOM 175 CG LEU A 97 62.983 -7.977 1.195 1.00 1.31 C ATOM 176 CD1 LEU A 97 63.516 -9.236 1.881 1.00 1.57 C ATOM 177 CD2 LEU A 97 62.899 -6.841 2.217 1.00 1.71 C ATOM 0 H LEU A 97 63.540 -9.578 -1.181 1.00 1.14 H new ATOM 0 HA LEU A 97 62.159 -7.033 -1.100 1.00 0.99 H new ATOM 0 HB2 LEU A 97 64.729 -8.305 -0.035 1.00 1.03 H new ATOM 0 HB3 LEU A 97 64.395 -6.616 0.288 1.00 1.03 H new ATOM 0 HG LEU A 97 61.992 -8.176 0.787 1.00 1.31 H new ATOM 0 HD11 LEU A 97 62.843 -9.523 2.689 1.00 1.57 H new ATOM 0 HD12 LEU A 97 63.579 -10.047 1.155 1.00 1.57 H new ATOM 0 HD13 LEU A 97 64.507 -9.036 2.288 1.00 1.57 H new ATOM 0 HD21 LEU A 97 62.226 -7.128 3.025 1.00 1.71 H new ATOM 0 HD22 LEU A 97 63.891 -6.643 2.624 1.00 1.71 H new ATOM 0 HD23 LEU A 97 62.520 -5.942 1.731 1.00 1.71 H new ATOM 189 N SER A 98 65.028 -7.038 -2.710 1.00 0.87 N ATOM 190 CA SER A 98 65.798 -6.228 -3.696 1.00 0.78 C ATOM 191 C SER A 98 64.896 -5.814 -4.863 1.00 0.75 C ATOM 192 O SER A 98 64.586 -4.653 -5.040 1.00 0.74 O ATOM 193 CB SER A 98 66.912 -7.154 -4.179 1.00 0.93 C ATOM 194 OG SER A 98 67.955 -7.178 -3.212 1.00 1.41 O ATOM 0 H SER A 98 65.462 -7.921 -2.440 1.00 0.87 H new ATOM 0 HA SER A 98 66.191 -5.309 -3.261 1.00 0.78 H new ATOM 0 HB2 SER A 98 66.522 -8.160 -4.336 1.00 0.93 H new ATOM 0 HB3 SER A 98 67.298 -6.809 -5.138 1.00 0.93 H new ATOM 0 HG SER A 98 68.671 -7.773 -3.518 1.00 1.41 H new ATOM 200 N ASP A 99 64.472 -6.757 -5.660 1.00 0.80 N ATOM 201 CA ASP A 99 63.589 -6.418 -6.814 1.00 0.82 C ATOM 202 C ASP A 99 62.483 -5.459 -6.369 1.00 0.77 C ATOM 203 O ASP A 99 62.010 -4.644 -7.136 1.00 0.77 O ATOM 204 CB ASP A 99 62.993 -7.753 -7.262 1.00 0.93 C ATOM 205 CG ASP A 99 63.832 -8.331 -8.403 1.00 1.45 C ATOM 206 OD1 ASP A 99 63.964 -7.660 -9.413 1.00 2.18 O ATOM 207 OD2 ASP A 99 64.326 -9.435 -8.248 1.00 1.92 O ATOM 0 H ASP A 99 64.698 -7.747 -5.563 1.00 0.80 H new ATOM 0 HA ASP A 99 64.133 -5.924 -7.619 1.00 0.82 H new ATOM 0 HB2 ASP A 99 62.968 -8.451 -6.425 1.00 0.93 H new ATOM 0 HB3 ASP A 99 61.963 -7.612 -7.590 1.00 0.93 H new ATOM 212 N LEU A 100 62.067 -5.549 -5.137 1.00 0.77 N ATOM 213 CA LEU A 100 60.991 -4.641 -4.642 1.00 0.77 C ATOM 214 C LEU A 100 61.431 -3.181 -4.770 1.00 0.64 C ATOM 215 O LEU A 100 60.708 -2.346 -5.277 1.00 0.64 O ATOM 216 CB LEU A 100 60.807 -5.016 -3.172 1.00 0.85 C ATOM 217 CG LEU A 100 59.316 -5.054 -2.834 1.00 1.16 C ATOM 218 CD1 LEU A 100 58.991 -6.362 -2.111 1.00 1.54 C ATOM 219 CD2 LEU A 100 58.970 -3.871 -1.926 1.00 1.57 C ATOM 0 H LEU A 100 62.425 -6.212 -4.450 1.00 0.77 H new ATOM 0 HA LEU A 100 60.067 -4.745 -5.211 1.00 0.77 H new ATOM 0 HB2 LEU A 100 61.260 -5.988 -2.975 1.00 0.85 H new ATOM 0 HB3 LEU A 100 61.316 -4.292 -2.535 1.00 0.85 H new ATOM 0 HG LEU A 100 58.733 -4.991 -3.753 1.00 1.16 H new ATOM 0 HD11 LEU A 100 57.928 -6.390 -1.870 1.00 1.54 H new ATOM 0 HD12 LEU A 100 59.239 -7.205 -2.755 1.00 1.54 H new ATOM 0 HD13 LEU A 100 59.574 -6.424 -1.192 1.00 1.54 H new ATOM 0 HD21 LEU A 100 57.907 -3.897 -1.684 1.00 1.57 H new ATOM 0 HD22 LEU A 100 59.553 -3.935 -1.007 1.00 1.57 H new ATOM 0 HD23 LEU A 100 59.203 -2.938 -2.439 1.00 1.57 H new ATOM 231 N PHE A 101 62.611 -2.866 -4.310 1.00 0.60 N ATOM 232 CA PHE A 101 63.096 -1.460 -4.401 1.00 0.53 C ATOM 233 C PHE A 101 62.945 -0.936 -5.833 1.00 0.49 C ATOM 234 O PHE A 101 62.250 0.029 -6.080 1.00 0.61 O ATOM 235 CB PHE A 101 64.572 -1.525 -4.009 1.00 0.57 C ATOM 236 CG PHE A 101 65.184 -0.150 -4.126 1.00 0.46 C ATOM 237 CD1 PHE A 101 65.622 0.320 -5.369 1.00 1.31 C ATOM 238 CD2 PHE A 101 65.310 0.655 -2.987 1.00 1.23 C ATOM 239 CE1 PHE A 101 66.189 1.596 -5.474 1.00 1.30 C ATOM 240 CE2 PHE A 101 65.877 1.930 -3.093 1.00 1.23 C ATOM 241 CZ PHE A 101 66.315 2.401 -4.336 1.00 0.40 C ATOM 0 H PHE A 101 63.260 -3.522 -3.875 1.00 0.60 H new ATOM 0 HA PHE A 101 62.530 -0.787 -3.757 1.00 0.53 H new ATOM 0 HB2 PHE A 101 64.672 -1.894 -2.988 1.00 0.57 H new ATOM 0 HB3 PHE A 101 65.100 -2.226 -4.655 1.00 0.57 H new ATOM 0 HD1 PHE A 101 65.523 -0.301 -6.247 1.00 1.31 H new ATOM 0 HD2 PHE A 101 64.970 0.292 -2.028 1.00 1.23 H new ATOM 0 HE1 PHE A 101 66.529 1.959 -6.433 1.00 1.30 H new ATOM 0 HE2 PHE A 101 65.977 2.551 -2.215 1.00 1.23 H new ATOM 0 HZ PHE A 101 66.750 3.386 -4.417 1.00 0.40 H new ATOM 251 N ARG A 102 63.594 -1.564 -6.775 1.00 0.53 N ATOM 252 CA ARG A 102 63.486 -1.099 -8.189 1.00 0.70 C ATOM 253 C ARG A 102 62.101 -1.425 -8.751 1.00 0.80 C ATOM 254 O ARG A 102 61.728 -0.966 -9.811 1.00 1.09 O ATOM 255 CB ARG A 102 64.568 -1.872 -8.943 1.00 0.87 C ATOM 256 CG ARG A 102 65.231 -0.952 -9.971 1.00 1.28 C ATOM 257 CD ARG A 102 66.332 -1.719 -10.706 1.00 1.83 C ATOM 258 NE ARG A 102 66.068 -1.479 -12.152 1.00 2.26 N ATOM 259 CZ ARG A 102 65.110 -2.127 -12.758 1.00 2.89 C ATOM 260 NH1 ARG A 102 65.200 -3.417 -12.927 1.00 3.68 N ATOM 261 NH2 ARG A 102 64.062 -1.484 -13.193 1.00 3.22 N ATOM 0 H ARG A 102 64.193 -2.377 -6.629 1.00 0.53 H new ATOM 0 HA ARG A 102 63.617 -0.021 -8.280 1.00 0.70 H new ATOM 0 HB2 ARG A 102 65.314 -2.250 -8.244 1.00 0.87 H new ATOM 0 HB3 ARG A 102 64.131 -2.737 -9.442 1.00 0.87 H new ATOM 0 HG2 ARG A 102 64.489 -0.589 -10.682 1.00 1.28 H new ATOM 0 HG3 ARG A 102 65.651 -0.077 -9.475 1.00 1.28 H new ATOM 0 HD2 ARG A 102 67.321 -1.361 -10.420 1.00 1.83 H new ATOM 0 HD3 ARG A 102 66.298 -2.782 -10.470 1.00 1.83 H new ATOM 0 HE ARG A 102 66.636 -0.808 -12.669 1.00 2.26 H new ATOM 0 HH11 ARG A 102 66.019 -3.920 -12.586 1.00 3.68 H new ATOM 0 HH12 ARG A 102 64.451 -3.923 -13.400 1.00 3.68 H new ATOM 0 HH21 ARG A 102 63.991 -0.475 -13.060 1.00 3.22 H new ATOM 0 HH22 ARG A 102 63.313 -1.990 -13.666 1.00 3.22 H new ATOM 275 N MET A 103 61.335 -2.214 -8.048 1.00 0.68 N ATOM 276 CA MET A 103 59.975 -2.567 -8.547 1.00 0.81 C ATOM 277 C MET A 103 58.951 -1.536 -8.067 1.00 0.79 C ATOM 278 O MET A 103 57.850 -1.458 -8.574 1.00 0.90 O ATOM 279 CB MET A 103 59.676 -3.942 -7.947 1.00 0.91 C ATOM 280 CG MET A 103 58.202 -4.283 -8.160 1.00 1.35 C ATOM 281 SD MET A 103 57.309 -4.112 -6.595 1.00 1.92 S ATOM 282 CE MET A 103 57.017 -5.874 -6.306 1.00 1.63 C ATOM 0 H MET A 103 61.591 -2.629 -7.152 1.00 0.68 H new ATOM 0 HA MET A 103 59.925 -2.579 -9.636 1.00 0.81 H new ATOM 0 HB2 MET A 103 60.306 -4.699 -8.414 1.00 0.91 H new ATOM 0 HB3 MET A 103 59.910 -3.945 -6.883 1.00 0.91 H new ATOM 0 HG2 MET A 103 57.770 -3.622 -8.911 1.00 1.35 H new ATOM 0 HG3 MET A 103 58.104 -5.301 -8.537 1.00 1.35 H new ATOM 0 HE1 MET A 103 56.468 -6.004 -5.373 1.00 1.63 H new ATOM 0 HE2 MET A 103 56.434 -6.286 -7.130 1.00 1.63 H new ATOM 0 HE3 MET A 103 57.972 -6.395 -6.241 1.00 1.63 H new ATOM 292 N PHE A 104 59.304 -0.745 -7.091 1.00 0.71 N ATOM 293 CA PHE A 104 58.349 0.281 -6.579 1.00 0.75 C ATOM 294 C PHE A 104 58.871 1.689 -6.884 1.00 0.68 C ATOM 295 O PHE A 104 58.227 2.676 -6.591 1.00 0.80 O ATOM 296 CB PHE A 104 58.289 0.049 -5.069 1.00 0.76 C ATOM 297 CG PHE A 104 57.141 -0.879 -4.745 1.00 1.03 C ATOM 298 CD1 PHE A 104 55.822 -0.464 -4.964 1.00 1.71 C ATOM 299 CD2 PHE A 104 57.398 -2.153 -4.226 1.00 1.67 C ATOM 300 CE1 PHE A 104 54.760 -1.324 -4.663 1.00 2.03 C ATOM 301 CE2 PHE A 104 56.335 -3.013 -3.924 1.00 1.90 C ATOM 302 CZ PHE A 104 55.016 -2.600 -4.144 1.00 1.76 C ATOM 0 H PHE A 104 60.211 -0.764 -6.626 1.00 0.71 H new ATOM 0 HA PHE A 104 57.367 0.198 -7.044 1.00 0.75 H new ATOM 0 HB2 PHE A 104 59.228 -0.381 -4.719 1.00 0.76 H new ATOM 0 HB3 PHE A 104 58.160 0.999 -4.550 1.00 0.76 H new ATOM 0 HD1 PHE A 104 55.624 0.519 -5.365 1.00 1.71 H new ATOM 0 HD2 PHE A 104 58.416 -2.473 -4.058 1.00 1.67 H new ATOM 0 HE1 PHE A 104 53.742 -1.004 -4.831 1.00 2.03 H new ATOM 0 HE2 PHE A 104 56.533 -3.995 -3.521 1.00 1.90 H new ATOM 0 HZ PHE A 104 54.196 -3.264 -3.914 1.00 1.76 H new ATOM 312 N ASP A 105 60.035 1.789 -7.469 1.00 0.58 N ATOM 313 CA ASP A 105 60.594 3.134 -7.789 1.00 0.52 C ATOM 314 C ASP A 105 59.689 3.860 -8.785 1.00 0.52 C ATOM 315 O ASP A 105 59.884 3.789 -9.982 1.00 0.60 O ATOM 316 CB ASP A 105 61.964 2.860 -8.410 1.00 0.60 C ATOM 317 CG ASP A 105 62.886 4.058 -8.165 1.00 0.51 C ATOM 318 OD1 ASP A 105 62.394 5.077 -7.708 1.00 0.48 O ATOM 319 OD2 ASP A 105 64.069 3.935 -8.439 1.00 0.54 O ATOM 0 H ASP A 105 60.621 0.999 -7.738 1.00 0.58 H new ATOM 0 HA ASP A 105 60.668 3.769 -6.906 1.00 0.52 H new ATOM 0 HB2 ASP A 105 62.398 1.959 -7.976 1.00 0.60 H new ATOM 0 HB3 ASP A 105 61.860 2.680 -9.480 1.00 0.60 H new ATOM 324 N LYS A 106 58.703 4.565 -8.300 1.00 0.51 N ATOM 325 CA LYS A 106 57.794 5.299 -9.223 1.00 0.60 C ATOM 326 C LYS A 106 58.590 6.338 -10.014 1.00 0.59 C ATOM 327 O LYS A 106 58.271 6.652 -11.143 1.00 0.70 O ATOM 328 CB LYS A 106 56.769 5.980 -8.316 1.00 0.63 C ATOM 329 CG LYS A 106 55.794 6.797 -9.169 1.00 1.39 C ATOM 330 CD LYS A 106 55.034 5.866 -10.116 1.00 1.58 C ATOM 331 CE LYS A 106 54.120 4.942 -9.307 1.00 2.00 C ATOM 332 NZ LYS A 106 53.680 3.896 -10.272 1.00 2.79 N ATOM 0 H LYS A 106 58.489 4.664 -7.308 1.00 0.51 H new ATOM 0 HA LYS A 106 57.314 4.641 -9.948 1.00 0.60 H new ATOM 0 HB2 LYS A 106 56.225 5.232 -7.739 1.00 0.63 H new ATOM 0 HB3 LYS A 106 57.275 6.629 -7.601 1.00 0.63 H new ATOM 0 HG2 LYS A 106 55.093 7.330 -8.527 1.00 1.39 H new ATOM 0 HG3 LYS A 106 56.338 7.549 -9.741 1.00 1.39 H new ATOM 0 HD2 LYS A 106 54.444 6.451 -10.821 1.00 1.58 H new ATOM 0 HD3 LYS A 106 55.737 5.275 -10.703 1.00 1.58 H new ATOM 0 HE2 LYS A 106 54.651 4.502 -8.463 1.00 2.00 H new ATOM 0 HE3 LYS A 106 53.268 5.487 -8.900 1.00 2.00 H new ATOM 0 HZ1 LYS A 106 53.049 3.224 -9.791 1.00 2.79 H new ATOM 0 HZ2 LYS A 106 53.172 4.344 -11.061 1.00 2.79 H new ATOM 0 HZ3 LYS A 106 54.511 3.390 -10.638 1.00 2.79 H new ATOM 346 N ASN A 107 59.632 6.870 -9.431 1.00 0.53 N ATOM 347 CA ASN A 107 60.450 7.883 -10.156 1.00 0.59 C ATOM 348 C ASN A 107 61.453 7.183 -11.080 1.00 0.60 C ATOM 349 O ASN A 107 61.993 7.777 -11.991 1.00 0.71 O ATOM 350 CB ASN A 107 61.181 8.663 -9.063 1.00 0.62 C ATOM 351 CG ASN A 107 62.154 9.652 -9.705 1.00 1.10 C ATOM 352 OD1 ASN A 107 63.333 9.640 -9.410 1.00 1.50 O ATOM 353 ND2 ASN A 107 61.708 10.514 -10.578 1.00 1.67 N ATOM 0 H ASN A 107 59.950 6.647 -8.488 1.00 0.53 H new ATOM 0 HA ASN A 107 59.841 8.536 -10.781 1.00 0.59 H new ATOM 0 HB2 ASN A 107 60.463 9.196 -8.440 1.00 0.62 H new ATOM 0 HB3 ASN A 107 61.721 7.976 -8.411 1.00 0.62 H new ATOM 0 HD21 ASN A 107 62.349 11.178 -11.013 1.00 1.67 H new ATOM 0 HD22 ASN A 107 60.719 10.524 -10.825 1.00 1.67 H new ATOM 360 N ALA A 108 61.700 5.922 -10.851 1.00 0.56 N ATOM 361 CA ALA A 108 62.664 5.178 -11.715 1.00 0.62 C ATOM 362 C ALA A 108 63.960 5.976 -11.880 1.00 0.64 C ATOM 363 O ALA A 108 64.306 6.397 -12.967 1.00 0.78 O ATOM 364 CB ALA A 108 61.952 5.025 -13.059 1.00 0.72 C ATOM 0 H ALA A 108 61.276 5.373 -10.103 1.00 0.56 H new ATOM 0 HA ALA A 108 62.941 4.215 -11.287 1.00 0.62 H new ATOM 0 HB1 ALA A 108 62.597 4.486 -13.753 1.00 0.72 H new ATOM 0 HB2 ALA A 108 61.025 4.469 -12.919 1.00 0.72 H new ATOM 0 HB3 ALA A 108 61.726 6.011 -13.465 1.00 0.72 H new ATOM 370 N ASP A 109 64.679 6.186 -10.811 1.00 0.57 N ATOM 371 CA ASP A 109 65.953 6.957 -10.909 1.00 0.63 C ATOM 372 C ASP A 109 67.054 6.275 -10.090 1.00 0.63 C ATOM 373 O ASP A 109 68.159 6.769 -9.988 1.00 0.76 O ATOM 374 CB ASP A 109 65.630 8.332 -10.325 1.00 0.62 C ATOM 375 CG ASP A 109 65.382 8.199 -8.823 1.00 0.70 C ATOM 376 OD1 ASP A 109 65.087 7.098 -8.389 1.00 1.20 O ATOM 377 OD2 ASP A 109 65.491 9.198 -8.131 1.00 0.75 O ATOM 0 H ASP A 109 64.441 5.858 -9.875 1.00 0.57 H new ATOM 0 HA ASP A 109 66.315 7.022 -11.935 1.00 0.63 H new ATOM 0 HB2 ASP A 109 66.455 9.021 -10.509 1.00 0.62 H new ATOM 0 HB3 ASP A 109 64.750 8.750 -10.815 1.00 0.62 H new ATOM 382 N GLY A 110 66.763 5.144 -9.506 1.00 0.58 N ATOM 383 CA GLY A 110 67.797 4.435 -8.697 1.00 0.62 C ATOM 384 C GLY A 110 67.500 4.621 -7.207 1.00 0.54 C ATOM 385 O GLY A 110 67.686 3.722 -6.410 1.00 0.57 O ATOM 0 H GLY A 110 65.856 4.681 -9.554 1.00 0.58 H new ATOM 0 HA2 GLY A 110 67.804 3.374 -8.947 1.00 0.62 H new ATOM 0 HA3 GLY A 110 68.787 4.825 -8.932 1.00 0.62 H new ATOM 389 N TYR A 111 67.038 5.780 -6.824 1.00 0.50 N ATOM 390 CA TYR A 111 66.727 6.025 -5.387 1.00 0.48 C ATOM 391 C TYR A 111 65.237 6.336 -5.222 1.00 0.42 C ATOM 392 O TYR A 111 64.546 6.617 -6.180 1.00 0.52 O ATOM 393 CB TYR A 111 67.578 7.232 -4.996 1.00 0.52 C ATOM 394 CG TYR A 111 69.033 6.928 -5.262 1.00 0.60 C ATOM 395 CD1 TYR A 111 69.510 6.888 -6.579 1.00 1.38 C ATOM 396 CD2 TYR A 111 69.905 6.684 -4.195 1.00 1.36 C ATOM 397 CE1 TYR A 111 70.858 6.605 -6.826 1.00 1.46 C ATOM 398 CE2 TYR A 111 71.254 6.400 -4.443 1.00 1.40 C ATOM 399 CZ TYR A 111 71.731 6.361 -5.758 1.00 0.83 C ATOM 400 OH TYR A 111 73.060 6.082 -6.003 1.00 0.97 O ATOM 0 H TYR A 111 66.862 6.569 -7.446 1.00 0.50 H new ATOM 0 HA TYR A 111 66.944 5.160 -4.760 1.00 0.48 H new ATOM 0 HB2 TYR A 111 67.268 8.109 -5.565 1.00 0.52 H new ATOM 0 HB3 TYR A 111 67.431 7.468 -3.942 1.00 0.52 H new ATOM 0 HD1 TYR A 111 68.838 7.076 -7.403 1.00 1.38 H new ATOM 0 HD2 TYR A 111 69.538 6.715 -3.180 1.00 1.36 H new ATOM 0 HE1 TYR A 111 71.226 6.575 -7.841 1.00 1.46 H new ATOM 0 HE2 TYR A 111 71.926 6.211 -3.619 1.00 1.40 H new ATOM 0 HH TYR A 111 73.526 5.939 -5.153 1.00 0.97 H new ATOM 410 N ILE A 112 64.733 6.290 -4.021 1.00 0.36 N ATOM 411 CA ILE A 112 63.287 6.585 -3.818 1.00 0.32 C ATOM 412 C ILE A 112 63.094 7.589 -2.687 1.00 0.35 C ATOM 413 O ILE A 112 63.749 7.531 -1.667 1.00 0.43 O ATOM 414 CB ILE A 112 62.649 5.253 -3.468 1.00 0.32 C ATOM 415 CG1 ILE A 112 63.129 4.220 -4.493 1.00 0.40 C ATOM 416 CG2 ILE A 112 61.123 5.409 -3.522 1.00 0.35 C ATOM 417 CD1 ILE A 112 62.036 3.193 -4.775 1.00 0.46 C ATOM 0 H ILE A 112 65.256 6.062 -3.175 1.00 0.36 H new ATOM 0 HA ILE A 112 62.837 7.028 -4.706 1.00 0.32 H new ATOM 0 HB ILE A 112 62.928 4.926 -2.466 1.00 0.32 H new ATOM 0 HG12 ILE A 112 63.411 4.722 -5.418 1.00 0.40 H new ATOM 0 HG13 ILE A 112 64.021 3.716 -4.119 1.00 0.40 H new ATOM 0 HG21 ILE A 112 60.651 4.459 -3.272 1.00 0.35 H new ATOM 0 HG22 ILE A 112 60.809 6.169 -2.806 1.00 0.35 H new ATOM 0 HG23 ILE A 112 60.823 5.710 -4.526 1.00 0.35 H new ATOM 0 HD11 ILE A 112 62.397 2.469 -5.505 1.00 0.46 H new ATOM 0 HD12 ILE A 112 61.774 2.677 -3.851 1.00 0.46 H new ATOM 0 HD13 ILE A 112 61.155 3.699 -5.170 1.00 0.46 H new ATOM 429 N ASP A 113 62.193 8.509 -2.862 1.00 0.36 N ATOM 430 CA ASP A 113 61.948 9.524 -1.797 1.00 0.44 C ATOM 431 C ASP A 113 60.743 9.114 -0.947 1.00 0.44 C ATOM 432 O ASP A 113 60.155 8.070 -1.146 1.00 0.60 O ATOM 433 CB ASP A 113 61.674 10.831 -2.544 1.00 0.56 C ATOM 434 CG ASP A 113 60.272 10.793 -3.151 1.00 0.94 C ATOM 435 OD1 ASP A 113 59.921 9.772 -3.718 1.00 1.58 O ATOM 436 OD2 ASP A 113 59.574 11.787 -3.038 1.00 1.53 O ATOM 0 H ASP A 113 61.613 8.605 -3.696 1.00 0.36 H new ATOM 0 HA ASP A 113 62.793 9.623 -1.116 1.00 0.44 H new ATOM 0 HB2 ASP A 113 61.763 11.676 -1.862 1.00 0.56 H new ATOM 0 HB3 ASP A 113 62.417 10.975 -3.329 1.00 0.56 H new ATOM 441 N LEU A 114 60.376 9.924 0.009 1.00 0.47 N ATOM 442 CA LEU A 114 59.216 9.573 0.879 1.00 0.47 C ATOM 443 C LEU A 114 57.910 9.591 0.077 1.00 0.50 C ATOM 444 O LEU A 114 56.986 8.857 0.366 1.00 0.52 O ATOM 445 CB LEU A 114 59.199 10.650 1.965 1.00 0.57 C ATOM 446 CG LEU A 114 58.263 10.227 3.100 1.00 0.68 C ATOM 447 CD1 LEU A 114 56.811 10.338 2.633 1.00 1.36 C ATOM 448 CD2 LEU A 114 58.557 8.779 3.498 1.00 1.57 C ATOM 0 H LEU A 114 60.828 10.812 0.225 1.00 0.47 H new ATOM 0 HA LEU A 114 59.306 8.570 1.297 1.00 0.47 H new ATOM 0 HB2 LEU A 114 60.206 10.806 2.351 1.00 0.57 H new ATOM 0 HB3 LEU A 114 58.869 11.599 1.543 1.00 0.57 H new ATOM 0 HG LEU A 114 58.422 10.879 3.959 1.00 0.68 H new ATOM 0 HD11 LEU A 114 56.145 10.037 3.441 1.00 1.36 H new ATOM 0 HD12 LEU A 114 56.597 11.369 2.352 1.00 1.36 H new ATOM 0 HD13 LEU A 114 56.655 9.687 1.773 1.00 1.36 H new ATOM 0 HD21 LEU A 114 57.889 8.481 4.306 1.00 1.57 H new ATOM 0 HD22 LEU A 114 58.401 8.127 2.639 1.00 1.57 H new ATOM 0 HD23 LEU A 114 59.591 8.696 3.833 1.00 1.57 H new ATOM 460 N GLU A 115 57.822 10.422 -0.925 1.00 0.56 N ATOM 461 CA GLU A 115 56.569 10.476 -1.735 1.00 0.64 C ATOM 462 C GLU A 115 56.446 9.220 -2.601 1.00 0.56 C ATOM 463 O GLU A 115 55.367 8.836 -3.006 1.00 0.61 O ATOM 464 CB GLU A 115 56.713 11.720 -2.613 1.00 0.77 C ATOM 465 CG GLU A 115 55.410 11.958 -3.379 1.00 1.54 C ATOM 466 CD GLU A 115 54.759 13.253 -2.890 1.00 2.04 C ATOM 467 OE1 GLU A 115 55.480 14.215 -2.685 1.00 2.45 O ATOM 468 OE2 GLU A 115 53.550 13.261 -2.729 1.00 2.67 O ATOM 0 H GLU A 115 58.559 11.064 -1.218 1.00 0.56 H new ATOM 0 HA GLU A 115 55.677 10.521 -1.110 1.00 0.64 H new ATOM 0 HB2 GLU A 115 56.949 12.588 -1.997 1.00 0.77 H new ATOM 0 HB3 GLU A 115 57.540 11.591 -3.312 1.00 0.77 H new ATOM 0 HG2 GLU A 115 55.611 12.021 -4.448 1.00 1.54 H new ATOM 0 HG3 GLU A 115 54.730 11.119 -3.231 1.00 1.54 H new ATOM 475 N GLU A 116 57.544 8.577 -2.888 1.00 0.49 N ATOM 476 CA GLU A 116 57.490 7.347 -3.728 1.00 0.45 C ATOM 477 C GLU A 116 57.223 6.119 -2.852 1.00 0.43 C ATOM 478 O GLU A 116 56.522 5.206 -3.242 1.00 0.51 O ATOM 479 CB GLU A 116 58.869 7.249 -4.381 1.00 0.42 C ATOM 480 CG GLU A 116 58.913 8.146 -5.621 1.00 0.94 C ATOM 481 CD GLU A 116 60.297 8.052 -6.267 1.00 0.85 C ATOM 482 OE1 GLU A 116 60.695 6.952 -6.616 1.00 1.43 O ATOM 483 OE2 GLU A 116 60.937 9.082 -6.404 1.00 1.28 O ATOM 0 H GLU A 116 58.476 8.850 -2.577 1.00 0.49 H new ATOM 0 HA GLU A 116 56.691 7.389 -4.469 1.00 0.45 H new ATOM 0 HB2 GLU A 116 59.640 7.552 -3.673 1.00 0.42 H new ATOM 0 HB3 GLU A 116 59.079 6.216 -4.659 1.00 0.42 H new ATOM 0 HG2 GLU A 116 58.146 7.840 -6.332 1.00 0.94 H new ATOM 0 HG3 GLU A 116 58.698 9.178 -5.345 1.00 0.94 H new ATOM 490 N LEU A 117 57.783 6.088 -1.673 1.00 0.37 N ATOM 491 CA LEU A 117 57.566 4.917 -0.775 1.00 0.42 C ATOM 492 C LEU A 117 56.096 4.832 -0.353 1.00 0.50 C ATOM 493 O LEU A 117 55.560 3.760 -0.152 1.00 0.58 O ATOM 494 CB LEU A 117 58.459 5.175 0.439 1.00 0.43 C ATOM 495 CG LEU A 117 58.579 3.893 1.264 1.00 0.61 C ATOM 496 CD1 LEU A 117 60.023 3.391 1.221 1.00 0.90 C ATOM 497 CD2 LEU A 117 58.184 4.184 2.715 1.00 1.53 C ATOM 0 H LEU A 117 58.381 6.822 -1.293 1.00 0.37 H new ATOM 0 HA LEU A 117 57.808 3.974 -1.266 1.00 0.42 H new ATOM 0 HB2 LEU A 117 59.446 5.505 0.115 1.00 0.43 H new ATOM 0 HB3 LEU A 117 58.040 5.975 1.049 1.00 0.43 H new ATOM 0 HG LEU A 117 57.918 3.131 0.851 1.00 0.61 H new ATOM 0 HD11 LEU A 117 60.108 2.477 1.809 1.00 0.90 H new ATOM 0 HD12 LEU A 117 60.306 3.186 0.189 1.00 0.90 H new ATOM 0 HD13 LEU A 117 60.685 4.152 1.635 1.00 0.90 H new ATOM 0 HD21 LEU A 117 58.269 3.272 3.305 1.00 1.53 H new ATOM 0 HD22 LEU A 117 58.847 4.945 3.127 1.00 1.53 H new ATOM 0 HD23 LEU A 117 57.155 4.543 2.747 1.00 1.53 H new ATOM 509 N LYS A 118 55.438 5.952 -0.216 1.00 0.52 N ATOM 510 CA LYS A 118 54.005 5.924 0.193 1.00 0.63 C ATOM 511 C LYS A 118 53.164 5.230 -0.881 1.00 0.71 C ATOM 512 O LYS A 118 52.136 4.648 -0.598 1.00 0.83 O ATOM 513 CB LYS A 118 53.600 7.393 0.329 1.00 0.68 C ATOM 514 CG LYS A 118 54.007 8.154 -0.934 1.00 1.05 C ATOM 515 CD LYS A 118 53.130 9.398 -1.085 1.00 1.33 C ATOM 516 CE LYS A 118 53.253 10.267 0.169 1.00 1.49 C ATOM 517 NZ LYS A 118 51.851 10.549 0.581 1.00 1.82 N ATOM 0 H LYS A 118 55.829 6.881 -0.369 1.00 0.52 H new ATOM 0 HA LYS A 118 53.851 5.374 1.121 1.00 0.63 H new ATOM 0 HB2 LYS A 118 52.524 7.472 0.483 1.00 0.68 H new ATOM 0 HB3 LYS A 118 54.080 7.834 1.203 1.00 0.68 H new ATOM 0 HG2 LYS A 118 55.057 8.441 -0.876 1.00 1.05 H new ATOM 0 HG3 LYS A 118 53.900 7.512 -1.808 1.00 1.05 H new ATOM 0 HD2 LYS A 118 53.434 9.965 -1.964 1.00 1.33 H new ATOM 0 HD3 LYS A 118 52.091 9.107 -1.238 1.00 1.33 H new ATOM 0 HE2 LYS A 118 53.799 9.748 0.957 1.00 1.49 H new ATOM 0 HE3 LYS A 118 53.796 11.189 -0.041 1.00 1.49 H new ATOM 0 HZ1 LYS A 118 51.853 11.141 1.436 1.00 1.82 H new ATOM 0 HZ2 LYS A 118 51.358 11.049 -0.186 1.00 1.82 H new ATOM 0 HZ3 LYS A 118 51.361 9.654 0.781 1.00 1.82 H new ATOM 531 N ILE A 119 53.594 5.286 -2.112 1.00 0.72 N ATOM 532 CA ILE A 119 52.822 4.625 -3.202 1.00 0.84 C ATOM 533 C ILE A 119 53.025 3.108 -3.145 1.00 0.86 C ATOM 534 O ILE A 119 52.150 2.341 -3.491 1.00 0.96 O ATOM 535 CB ILE A 119 53.392 5.206 -4.497 1.00 0.93 C ATOM 536 CG1 ILE A 119 52.781 6.588 -4.738 1.00 1.00 C ATOM 537 CG2 ILE A 119 53.047 4.288 -5.673 1.00 1.06 C ATOM 538 CD1 ILE A 119 53.719 7.411 -5.618 1.00 1.08 C ATOM 0 H ILE A 119 54.446 5.761 -2.410 1.00 0.72 H new ATOM 0 HA ILE A 119 51.749 4.800 -3.120 1.00 0.84 H new ATOM 0 HB ILE A 119 54.475 5.289 -4.411 1.00 0.93 H new ATOM 0 HG12 ILE A 119 51.808 6.489 -5.218 1.00 1.00 H new ATOM 0 HG13 ILE A 119 52.617 7.096 -3.788 1.00 1.00 H new ATOM 0 HG21 ILE A 119 53.455 4.706 -6.593 1.00 1.06 H new ATOM 0 HG22 ILE A 119 53.476 3.301 -5.502 1.00 1.06 H new ATOM 0 HG23 ILE A 119 51.964 4.203 -5.762 1.00 1.06 H new ATOM 0 HD11 ILE A 119 53.285 8.396 -5.791 1.00 1.08 H new ATOM 0 HD12 ILE A 119 54.682 7.521 -5.120 1.00 1.08 H new ATOM 0 HD13 ILE A 119 53.860 6.904 -6.573 1.00 1.08 H new ATOM 550 N MET A 120 54.176 2.671 -2.708 1.00 0.82 N ATOM 551 CA MET A 120 54.433 1.203 -2.625 1.00 0.92 C ATOM 552 C MET A 120 53.476 0.563 -1.617 1.00 0.92 C ATOM 553 O MET A 120 52.996 -0.536 -1.811 1.00 1.01 O ATOM 554 CB MET A 120 55.881 1.083 -2.145 1.00 0.96 C ATOM 555 CG MET A 120 56.132 -0.335 -1.628 1.00 1.50 C ATOM 556 SD MET A 120 57.910 -0.679 -1.650 1.00 2.13 S ATOM 557 CE MET A 120 58.054 -1.231 0.067 1.00 2.73 C ATOM 0 H MET A 120 54.948 3.265 -2.405 1.00 0.82 H new ATOM 0 HA MET A 120 54.278 0.697 -3.578 1.00 0.92 H new ATOM 0 HB2 MET A 120 56.566 1.310 -2.962 1.00 0.96 H new ATOM 0 HB3 MET A 120 56.075 1.809 -1.355 1.00 0.96 H new ATOM 0 HG2 MET A 120 55.743 -0.438 -0.615 1.00 1.50 H new ATOM 0 HG3 MET A 120 55.603 -1.059 -2.248 1.00 1.50 H new ATOM 0 HE1 MET A 120 59.037 -0.964 0.454 1.00 2.73 H new ATOM 0 HE2 MET A 120 57.284 -0.750 0.670 1.00 2.73 H new ATOM 0 HE3 MET A 120 57.928 -2.313 0.113 1.00 2.73 H new ATOM 567 N LEU A 121 53.194 1.245 -0.543 1.00 0.88 N ATOM 568 CA LEU A 121 52.263 0.683 0.477 1.00 0.96 C ATOM 569 C LEU A 121 50.833 0.700 -0.060 1.00 0.99 C ATOM 570 O LEU A 121 50.066 -0.215 0.162 1.00 1.12 O ATOM 571 CB LEU A 121 52.380 1.617 1.676 1.00 0.98 C ATOM 572 CG LEU A 121 53.855 1.865 2.002 1.00 1.19 C ATOM 573 CD1 LEU A 121 53.971 2.513 3.384 1.00 1.51 C ATOM 574 CD2 LEU A 121 54.610 0.533 2.005 1.00 1.81 C ATOM 0 H LEU A 121 53.568 2.169 -0.326 1.00 0.88 H new ATOM 0 HA LEU A 121 52.505 -0.348 0.734 1.00 0.96 H new ATOM 0 HB2 LEU A 121 51.882 2.563 1.461 1.00 0.98 H new ATOM 0 HB3 LEU A 121 51.876 1.180 2.539 1.00 0.98 H new ATOM 0 HG LEU A 121 54.284 2.527 1.250 1.00 1.19 H new ATOM 0 HD11 LEU A 121 55.021 2.690 3.616 1.00 1.51 H new ATOM 0 HD12 LEU A 121 53.434 3.462 3.387 1.00 1.51 H new ATOM 0 HD13 LEU A 121 53.540 1.850 4.134 1.00 1.51 H new ATOM 0 HD21 LEU A 121 55.660 0.711 2.237 1.00 1.81 H new ATOM 0 HD22 LEU A 121 54.179 -0.128 2.757 1.00 1.81 H new ATOM 0 HD23 LEU A 121 54.529 0.067 1.023 1.00 1.81 H new ATOM 586 N GLN A 122 50.472 1.735 -0.769 1.00 0.95 N ATOM 587 CA GLN A 122 49.095 1.806 -1.327 1.00 1.05 C ATOM 588 C GLN A 122 48.907 0.683 -2.341 1.00 1.12 C ATOM 589 O GLN A 122 47.846 0.100 -2.451 1.00 1.24 O ATOM 590 CB GLN A 122 49.008 3.171 -2.008 1.00 1.07 C ATOM 591 CG GLN A 122 48.465 4.193 -1.012 1.00 1.49 C ATOM 592 CD GLN A 122 48.858 5.602 -1.456 1.00 1.51 C ATOM 593 OE1 GLN A 122 48.728 5.946 -2.614 1.00 2.24 O ATOM 594 NE2 GLN A 122 49.337 6.440 -0.577 1.00 1.52 N ATOM 0 H GLN A 122 51.071 2.532 -0.985 1.00 0.95 H new ATOM 0 HA GLN A 122 48.323 1.693 -0.566 1.00 1.05 H new ATOM 0 HB2 GLN A 122 49.992 3.478 -2.362 1.00 1.07 H new ATOM 0 HB3 GLN A 122 48.358 3.115 -2.881 1.00 1.07 H new ATOM 0 HG2 GLN A 122 47.380 4.111 -0.947 1.00 1.49 H new ATOM 0 HG3 GLN A 122 48.860 3.991 -0.017 1.00 1.49 H new ATOM 0 HE21 GLN A 122 49.446 6.152 0.395 1.00 1.52 H new ATOM 0 HE22 GLN A 122 49.602 7.383 -0.863 1.00 1.52 H new ATOM 603 N ALA A 123 49.939 0.361 -3.068 1.00 1.11 N ATOM 604 CA ALA A 123 49.830 -0.740 -4.059 1.00 1.26 C ATOM 605 C ALA A 123 49.604 -2.053 -3.314 1.00 1.39 C ATOM 606 O ALA A 123 49.156 -3.033 -3.875 1.00 1.55 O ATOM 607 CB ALA A 123 51.173 -0.756 -4.789 1.00 1.31 C ATOM 0 H ALA A 123 50.852 0.813 -3.018 1.00 1.11 H new ATOM 0 HA ALA A 123 49.003 -0.607 -4.756 1.00 1.26 H new ATOM 0 HB1 ALA A 123 51.170 -1.546 -5.540 1.00 1.31 H new ATOM 0 HB2 ALA A 123 51.334 0.206 -5.275 1.00 1.31 H new ATOM 0 HB3 ALA A 123 51.974 -0.939 -4.073 1.00 1.31 H new ATOM 682 N THR A 129 47.797 6.534 6.377 1.00 1.18 N ATOM 683 CA THR A 129 47.891 7.786 5.573 1.00 1.21 C ATOM 684 C THR A 129 49.330 8.309 5.575 1.00 1.10 C ATOM 685 O THR A 129 50.256 7.606 5.927 1.00 1.04 O ATOM 686 CB THR A 129 46.961 8.777 6.275 1.00 1.37 C ATOM 687 OG1 THR A 129 47.572 9.227 7.475 1.00 1.63 O ATOM 688 CG2 THR A 129 45.634 8.090 6.601 1.00 1.63 C ATOM 0 HA THR A 129 47.611 7.630 4.531 1.00 1.21 H new ATOM 0 HB THR A 129 46.775 9.629 5.621 1.00 1.37 H new ATOM 0 HG1 THR A 129 48.067 8.488 7.887 1.00 1.63 H new ATOM 0 HG21 THR A 129 44.972 8.797 7.101 1.00 1.63 H new ATOM 0 HG22 THR A 129 45.167 7.745 5.679 1.00 1.63 H new ATOM 0 HG23 THR A 129 45.817 7.238 7.256 1.00 1.63 H new ATOM 696 N GLU A 130 49.524 9.539 5.183 1.00 1.13 N ATOM 697 CA GLU A 130 50.902 10.105 5.164 1.00 1.09 C ATOM 698 C GLU A 130 51.429 10.257 6.593 1.00 1.03 C ATOM 699 O GLU A 130 52.601 10.492 6.812 1.00 0.98 O ATOM 700 CB GLU A 130 50.759 11.472 4.494 1.00 1.23 C ATOM 701 CG GLU A 130 49.798 12.340 5.308 1.00 1.68 C ATOM 702 CD GLU A 130 49.846 13.779 4.789 1.00 2.20 C ATOM 703 OE1 GLU A 130 50.821 14.121 4.138 1.00 2.66 O ATOM 704 OE2 GLU A 130 48.909 14.513 5.050 1.00 2.77 O ATOM 0 H GLU A 130 48.788 10.175 4.876 1.00 1.13 H new ATOM 0 HA GLU A 130 51.606 9.464 4.633 1.00 1.09 H new ATOM 0 HB2 GLU A 130 51.732 11.957 4.422 1.00 1.23 H new ATOM 0 HB3 GLU A 130 50.386 11.353 3.477 1.00 1.23 H new ATOM 0 HG2 GLU A 130 48.784 11.948 5.232 1.00 1.68 H new ATOM 0 HG3 GLU A 130 50.071 12.313 6.363 1.00 1.68 H new ATOM 711 N ASP A 131 50.571 10.126 7.567 1.00 1.08 N ATOM 712 CA ASP A 131 51.022 10.262 8.982 1.00 1.10 C ATOM 713 C ASP A 131 51.852 9.043 9.391 1.00 0.95 C ATOM 714 O ASP A 131 52.868 9.163 10.047 1.00 0.88 O ATOM 715 CB ASP A 131 49.734 10.332 9.802 1.00 1.27 C ATOM 716 CG ASP A 131 49.482 11.776 10.239 1.00 1.65 C ATOM 717 OD1 ASP A 131 49.309 12.615 9.371 1.00 2.28 O ATOM 718 OD2 ASP A 131 49.467 12.018 11.435 1.00 2.09 O ATOM 0 H ASP A 131 49.577 9.931 7.445 1.00 1.08 H new ATOM 0 HA ASP A 131 51.650 11.140 9.133 1.00 1.10 H new ATOM 0 HB2 ASP A 131 48.894 9.969 9.210 1.00 1.27 H new ATOM 0 HB3 ASP A 131 49.812 9.685 10.676 1.00 1.27 H new ATOM 723 N ASP A 132 51.427 7.871 9.009 1.00 0.96 N ATOM 724 CA ASP A 132 52.192 6.644 9.377 1.00 0.88 C ATOM 725 C ASP A 132 53.354 6.432 8.404 1.00 0.76 C ATOM 726 O ASP A 132 54.411 5.964 8.778 1.00 0.72 O ATOM 727 CB ASP A 132 51.183 5.501 9.264 1.00 0.99 C ATOM 728 CG ASP A 132 50.666 5.138 10.658 1.00 1.31 C ATOM 729 OD1 ASP A 132 50.984 5.857 11.591 1.00 1.70 O ATOM 730 OD2 ASP A 132 49.961 4.149 10.768 1.00 1.95 O ATOM 0 H ASP A 132 50.584 7.708 8.458 1.00 0.96 H new ATOM 0 HA ASP A 132 52.624 6.711 10.376 1.00 0.88 H new ATOM 0 HB2 ASP A 132 50.353 5.796 8.622 1.00 0.99 H new ATOM 0 HB3 ASP A 132 51.651 4.633 8.800 1.00 0.99 H new ATOM 735 N ILE A 133 53.167 6.773 7.158 1.00 0.78 N ATOM 736 CA ILE A 133 54.264 6.590 6.164 1.00 0.73 C ATOM 737 C ILE A 133 55.452 7.489 6.516 1.00 0.66 C ATOM 738 O ILE A 133 56.587 7.056 6.526 1.00 0.63 O ATOM 739 CB ILE A 133 53.658 7.002 4.824 1.00 0.84 C ATOM 740 CG1 ILE A 133 52.511 6.051 4.469 1.00 0.91 C ATOM 741 CG2 ILE A 133 54.730 6.934 3.736 1.00 1.14 C ATOM 742 CD1 ILE A 133 51.899 6.466 3.130 1.00 0.96 C ATOM 0 H ILE A 133 52.304 7.170 6.785 1.00 0.78 H new ATOM 0 HA ILE A 133 54.636 5.566 6.144 1.00 0.73 H new ATOM 0 HB ILE A 133 53.278 8.021 4.896 1.00 0.84 H new ATOM 0 HG12 ILE A 133 52.879 5.027 4.411 1.00 0.91 H new ATOM 0 HG13 ILE A 133 51.751 6.073 5.250 1.00 0.91 H new ATOM 0 HG21 ILE A 133 54.297 7.228 2.780 1.00 1.14 H new ATOM 0 HG22 ILE A 133 55.547 7.610 3.988 1.00 1.14 H new ATOM 0 HG23 ILE A 133 55.111 5.915 3.664 1.00 1.14 H new ATOM 0 HD11 ILE A 133 51.083 5.789 2.878 1.00 0.96 H new ATOM 0 HD12 ILE A 133 51.516 7.484 3.205 1.00 0.96 H new ATOM 0 HD13 ILE A 133 52.661 6.421 2.352 1.00 0.96 H new ATOM 754 N GLU A 134 55.202 8.736 6.804 1.00 0.73 N ATOM 755 CA GLU A 134 56.319 9.660 7.154 1.00 0.77 C ATOM 756 C GLU A 134 57.198 9.037 8.241 1.00 0.70 C ATOM 757 O GLU A 134 58.402 8.946 8.104 1.00 0.68 O ATOM 758 CB GLU A 134 55.639 10.926 7.676 1.00 0.96 C ATOM 759 CG GLU A 134 54.926 11.635 6.523 1.00 0.95 C ATOM 760 CD GLU A 134 55.860 12.681 5.910 1.00 1.60 C ATOM 761 OE1 GLU A 134 56.803 13.069 6.580 1.00 2.27 O ATOM 762 OE2 GLU A 134 55.615 13.076 4.782 1.00 2.07 O ATOM 0 H GLU A 134 54.273 9.156 6.812 1.00 0.73 H new ATOM 0 HA GLU A 134 56.966 9.867 6.301 1.00 0.77 H new ATOM 0 HB2 GLU A 134 54.924 10.671 8.458 1.00 0.96 H new ATOM 0 HB3 GLU A 134 56.378 11.590 8.124 1.00 0.96 H new ATOM 0 HG2 GLU A 134 54.628 10.910 5.766 1.00 0.95 H new ATOM 0 HG3 GLU A 134 54.015 12.113 6.884 1.00 0.95 H new ATOM 769 N GLU A 135 56.606 8.605 9.321 1.00 0.74 N ATOM 770 CA GLU A 135 57.409 7.987 10.416 1.00 0.76 C ATOM 771 C GLU A 135 58.087 6.708 9.918 1.00 0.66 C ATOM 772 O GLU A 135 59.178 6.371 10.332 1.00 0.74 O ATOM 773 CB GLU A 135 56.396 7.667 11.515 1.00 0.88 C ATOM 774 CG GLU A 135 57.115 7.011 12.696 1.00 1.20 C ATOM 775 CD GLU A 135 57.776 8.089 13.555 1.00 1.48 C ATOM 776 OE1 GLU A 135 57.501 9.255 13.323 1.00 2.16 O ATOM 777 OE2 GLU A 135 58.546 7.731 14.432 1.00 1.95 O ATOM 0 H GLU A 135 55.602 8.653 9.493 1.00 0.74 H new ATOM 0 HA GLU A 135 58.201 8.646 10.772 1.00 0.76 H new ATOM 0 HB2 GLU A 135 55.896 8.579 11.841 1.00 0.88 H new ATOM 0 HB3 GLU A 135 55.624 7.001 11.130 1.00 0.88 H new ATOM 0 HG2 GLU A 135 56.406 6.439 13.294 1.00 1.20 H new ATOM 0 HG3 GLU A 135 57.866 6.309 12.334 1.00 1.20 H new ATOM 784 N LEU A 136 57.447 5.993 9.033 1.00 0.62 N ATOM 785 CA LEU A 136 58.055 4.734 8.511 1.00 0.66 C ATOM 786 C LEU A 136 59.392 5.035 7.828 1.00 0.61 C ATOM 787 O LEU A 136 60.390 4.392 8.085 1.00 0.70 O ATOM 788 CB LEU A 136 57.045 4.195 7.498 1.00 0.77 C ATOM 789 CG LEU A 136 56.610 2.788 7.909 1.00 0.86 C ATOM 790 CD1 LEU A 136 57.780 1.819 7.732 1.00 1.63 C ATOM 791 CD2 LEU A 136 56.174 2.799 9.375 1.00 1.38 C ATOM 0 H LEU A 136 56.531 6.225 8.649 1.00 0.62 H new ATOM 0 HA LEU A 136 58.259 4.015 9.305 1.00 0.66 H new ATOM 0 HB2 LEU A 136 56.179 4.854 7.447 1.00 0.77 H new ATOM 0 HB3 LEU A 136 57.489 4.174 6.503 1.00 0.77 H new ATOM 0 HG LEU A 136 55.777 2.468 7.283 1.00 0.86 H new ATOM 0 HD11 LEU A 136 57.469 0.816 8.025 1.00 1.63 H new ATOM 0 HD12 LEU A 136 58.091 1.812 6.687 1.00 1.63 H new ATOM 0 HD13 LEU A 136 58.614 2.138 8.357 1.00 1.63 H new ATOM 0 HD21 LEU A 136 55.863 1.797 9.670 1.00 1.38 H new ATOM 0 HD22 LEU A 136 57.008 3.119 10.000 1.00 1.38 H new ATOM 0 HD23 LEU A 136 55.340 3.489 9.501 1.00 1.38 H new ATOM 803 N MET A 137 59.418 6.008 6.958 1.00 0.55 N ATOM 804 CA MET A 137 60.690 6.349 6.258 1.00 0.59 C ATOM 805 C MET A 137 61.721 6.877 7.260 1.00 0.65 C ATOM 806 O MET A 137 62.903 6.922 6.982 1.00 0.81 O ATOM 807 CB MET A 137 60.305 7.439 5.259 1.00 0.60 C ATOM 808 CG MET A 137 61.568 8.131 4.746 1.00 0.96 C ATOM 809 SD MET A 137 62.646 6.910 3.956 1.00 1.23 S ATOM 810 CE MET A 137 61.855 6.924 2.329 1.00 1.35 C ATOM 0 H MET A 137 58.614 6.581 6.702 1.00 0.55 H new ATOM 0 HA MET A 137 61.140 5.485 5.769 1.00 0.59 H new ATOM 0 HB2 MET A 137 59.752 7.005 4.426 1.00 0.60 H new ATOM 0 HB3 MET A 137 59.647 8.166 5.734 1.00 0.60 H new ATOM 0 HG2 MET A 137 61.304 8.913 4.034 1.00 0.96 H new ATOM 0 HG3 MET A 137 62.091 8.614 5.571 1.00 0.96 H new ATOM 0 HE1 MET A 137 62.584 6.645 1.568 1.00 1.35 H new ATOM 0 HE2 MET A 137 61.030 6.212 2.320 1.00 1.35 H new ATOM 0 HE3 MET A 137 61.475 7.923 2.118 1.00 1.35 H new ATOM 820 N LYS A 138 61.283 7.277 8.423 1.00 0.62 N ATOM 821 CA LYS A 138 62.241 7.801 9.439 1.00 0.79 C ATOM 822 C LYS A 138 63.184 6.687 9.901 1.00 0.86 C ATOM 823 O LYS A 138 64.379 6.877 10.006 1.00 1.16 O ATOM 824 CB LYS A 138 61.367 8.280 10.599 1.00 0.87 C ATOM 825 CG LYS A 138 62.207 9.132 11.553 1.00 1.55 C ATOM 826 CD LYS A 138 61.297 9.779 12.598 1.00 2.07 C ATOM 827 CE LYS A 138 61.706 9.306 13.994 1.00 2.85 C ATOM 828 NZ LYS A 138 62.835 10.195 14.386 1.00 3.36 N ATOM 0 H LYS A 138 60.305 7.264 8.713 1.00 0.62 H new ATOM 0 HA LYS A 138 62.866 8.601 9.043 1.00 0.79 H new ATOM 0 HB2 LYS A 138 60.527 8.861 10.219 1.00 0.87 H new ATOM 0 HB3 LYS A 138 60.949 7.425 11.130 1.00 0.87 H new ATOM 0 HG2 LYS A 138 62.959 8.513 12.043 1.00 1.55 H new ATOM 0 HG3 LYS A 138 62.742 9.901 10.995 1.00 1.55 H new ATOM 0 HD2 LYS A 138 61.368 10.865 12.535 1.00 2.07 H new ATOM 0 HD3 LYS A 138 60.257 9.516 12.403 1.00 2.07 H new ATOM 0 HE2 LYS A 138 60.877 9.387 14.697 1.00 2.85 H new ATOM 0 HE3 LYS A 138 62.013 8.260 13.982 1.00 2.85 H new ATOM 0 HZ1 LYS A 138 63.171 9.932 15.335 1.00 3.36 H new ATOM 0 HZ2 LYS A 138 63.612 10.091 13.703 1.00 3.36 H new ATOM 0 HZ3 LYS A 138 62.512 11.183 14.395 1.00 3.36 H new ATOM 842 N ASP A 139 62.656 5.526 10.179 1.00 0.71 N ATOM 843 CA ASP A 139 63.524 4.403 10.635 1.00 0.85 C ATOM 844 C ASP A 139 64.061 3.623 9.432 1.00 0.85 C ATOM 845 O ASP A 139 64.360 2.449 9.524 1.00 1.02 O ATOM 846 CB ASP A 139 62.613 3.518 11.485 1.00 0.97 C ATOM 847 CG ASP A 139 62.604 4.027 12.927 1.00 1.50 C ATOM 848 OD1 ASP A 139 61.907 4.994 13.189 1.00 2.33 O ATOM 849 OD2 ASP A 139 63.295 3.442 13.746 1.00 1.80 O ATOM 0 H ASP A 139 61.662 5.307 10.110 1.00 0.71 H new ATOM 0 HA ASP A 139 64.390 4.754 11.196 1.00 0.85 H new ATOM 0 HB2 ASP A 139 61.601 3.525 11.080 1.00 0.97 H new ATOM 0 HB3 ASP A 139 62.961 2.486 11.455 1.00 0.97 H new ATOM 854 N GLY A 140 64.186 4.266 8.303 1.00 0.81 N ATOM 855 CA GLY A 140 64.704 3.559 7.097 1.00 0.86 C ATOM 856 C GLY A 140 65.927 4.303 6.556 1.00 0.77 C ATOM 857 O GLY A 140 66.906 3.702 6.160 1.00 0.86 O ATOM 0 H GLY A 140 63.952 5.249 8.164 1.00 0.81 H new ATOM 0 HA2 GLY A 140 64.972 2.533 7.351 1.00 0.86 H new ATOM 0 HA3 GLY A 140 63.929 3.506 6.332 1.00 0.86 H new ATOM 861 N ASP A 141 65.879 5.605 6.536 1.00 0.70 N ATOM 862 CA ASP A 141 67.039 6.387 6.019 1.00 0.66 C ATOM 863 C ASP A 141 68.324 5.963 6.735 1.00 0.74 C ATOM 864 O ASP A 141 68.625 6.427 7.817 1.00 0.87 O ATOM 865 CB ASP A 141 66.706 7.845 6.334 1.00 0.66 C ATOM 866 CG ASP A 141 66.879 8.693 5.072 1.00 0.76 C ATOM 867 OD1 ASP A 141 67.666 8.305 4.226 1.00 0.92 O ATOM 868 OD2 ASP A 141 66.220 9.715 4.974 1.00 0.83 O ATOM 0 H ASP A 141 65.087 6.163 6.855 1.00 0.70 H new ATOM 0 HA ASP A 141 67.202 6.228 4.953 1.00 0.66 H new ATOM 0 HB2 ASP A 141 65.683 7.924 6.701 1.00 0.66 H new ATOM 0 HB3 ASP A 141 67.358 8.215 7.126 1.00 0.66 H new ATOM 873 N LYS A 142 69.087 5.086 6.139 1.00 0.75 N ATOM 874 CA LYS A 142 70.352 4.638 6.788 1.00 0.87 C ATOM 875 C LYS A 142 71.279 5.835 7.009 1.00 0.89 C ATOM 876 O LYS A 142 72.178 5.795 7.826 1.00 1.05 O ATOM 877 CB LYS A 142 70.977 3.653 5.800 1.00 0.89 C ATOM 878 CG LYS A 142 72.407 3.332 6.235 1.00 1.24 C ATOM 879 CD LYS A 142 72.912 2.107 5.470 1.00 1.26 C ATOM 880 CE LYS A 142 73.615 1.154 6.440 1.00 1.55 C ATOM 881 NZ LYS A 142 74.829 1.890 6.888 1.00 1.99 N ATOM 0 H LYS A 142 68.889 4.662 5.233 1.00 0.75 H new ATOM 0 HA LYS A 142 70.179 4.182 7.763 1.00 0.87 H new ATOM 0 HB2 LYS A 142 70.385 2.739 5.758 1.00 0.89 H new ATOM 0 HB3 LYS A 142 70.978 4.079 4.797 1.00 0.89 H new ATOM 0 HG2 LYS A 142 73.057 4.186 6.044 1.00 1.24 H new ATOM 0 HG3 LYS A 142 72.438 3.142 7.308 1.00 1.24 H new ATOM 0 HD2 LYS A 142 72.079 1.599 4.984 1.00 1.26 H new ATOM 0 HD3 LYS A 142 73.600 2.415 4.683 1.00 1.26 H new ATOM 0 HE2 LYS A 142 72.972 0.903 7.283 1.00 1.55 H new ATOM 0 HE3 LYS A 142 73.879 0.217 5.951 1.00 1.55 H new ATOM 0 HZ1 LYS A 142 75.503 1.222 7.314 1.00 1.99 H new ATOM 0 HZ2 LYS A 142 75.273 2.356 6.071 1.00 1.99 H new ATOM 0 HZ3 LYS A 142 74.560 2.607 7.592 1.00 1.99 H new ATOM 895 N ASN A 143 71.066 6.900 6.288 1.00 0.85 N ATOM 896 CA ASN A 143 71.932 8.102 6.455 1.00 1.05 C ATOM 897 C ASN A 143 71.067 9.361 6.557 1.00 1.07 C ATOM 898 O ASN A 143 71.560 10.470 6.519 1.00 1.56 O ATOM 899 CB ASN A 143 72.796 8.147 5.194 1.00 1.08 C ATOM 900 CG ASN A 143 71.901 8.358 3.971 1.00 1.05 C ATOM 901 OD1 ASN A 143 70.692 8.401 4.089 1.00 0.98 O ATOM 902 ND2 ASN A 143 72.445 8.494 2.793 1.00 1.48 N ATOM 0 H ASN A 143 70.329 6.991 5.589 1.00 0.85 H new ATOM 0 HA ASN A 143 72.537 8.055 7.361 1.00 1.05 H new ATOM 0 HB2 ASN A 143 73.525 8.954 5.268 1.00 1.08 H new ATOM 0 HB3 ASN A 143 73.358 7.218 5.091 1.00 1.08 H new ATOM 0 HD21 ASN A 143 71.856 8.636 1.973 1.00 1.48 H new ATOM 0 HD22 ASN A 143 73.459 8.458 2.692 1.00 1.48 H new ATOM 909 N ASN A 144 69.778 9.195 6.687 1.00 0.78 N ATOM 910 CA ASN A 144 68.881 10.380 6.790 1.00 0.82 C ATOM 911 C ASN A 144 69.233 11.402 5.705 1.00 0.82 C ATOM 912 O ASN A 144 69.730 12.474 5.986 1.00 0.92 O ATOM 913 CB ASN A 144 69.146 10.959 8.181 1.00 0.95 C ATOM 914 CG ASN A 144 68.327 10.189 9.218 1.00 1.47 C ATOM 915 OD1 ASN A 144 67.131 10.029 9.070 1.00 2.28 O ATOM 916 ND2 ASN A 144 68.923 9.700 10.270 1.00 1.93 N ATOM 0 H ASN A 144 69.309 8.290 6.726 1.00 0.78 H new ATOM 0 HA ASN A 144 67.832 10.119 6.653 1.00 0.82 H new ATOM 0 HB2 ASN A 144 70.208 10.892 8.418 1.00 0.95 H new ATOM 0 HB3 ASN A 144 68.880 12.016 8.204 1.00 0.95 H new ATOM 0 HD21 ASN A 144 68.386 9.184 10.967 1.00 1.93 H new ATOM 0 HD22 ASN A 144 69.926 9.833 10.396 1.00 1.93 H new ATOM 923 N ASP A 145 68.979 11.076 4.467 1.00 0.75 N ATOM 924 CA ASP A 145 69.300 12.028 3.364 1.00 0.78 C ATOM 925 C ASP A 145 68.025 12.410 2.607 1.00 0.74 C ATOM 926 O ASP A 145 67.962 13.435 1.958 1.00 0.81 O ATOM 927 CB ASP A 145 70.258 11.264 2.449 1.00 0.76 C ATOM 928 CG ASP A 145 69.484 10.199 1.669 1.00 1.12 C ATOM 929 OD1 ASP A 145 68.553 9.644 2.228 1.00 1.72 O ATOM 930 OD2 ASP A 145 69.836 9.957 0.526 1.00 1.85 O ATOM 0 H ASP A 145 68.564 10.193 4.171 1.00 0.75 H new ATOM 0 HA ASP A 145 69.740 12.955 3.733 1.00 0.78 H new ATOM 0 HB2 ASP A 145 70.744 11.953 1.759 1.00 0.76 H new ATOM 0 HB3 ASP A 145 71.045 10.796 3.040 1.00 0.76 H new ATOM 935 N GLY A 146 67.009 11.595 2.687 1.00 0.69 N ATOM 936 CA GLY A 146 65.741 11.913 1.973 1.00 0.70 C ATOM 937 C GLY A 146 65.391 10.778 1.010 1.00 0.58 C ATOM 938 O GLY A 146 64.262 10.334 0.943 1.00 0.62 O ATOM 0 H GLY A 146 67.003 10.723 3.216 1.00 0.69 H new ATOM 0 HA2 GLY A 146 64.934 12.055 2.692 1.00 0.70 H new ATOM 0 HA3 GLY A 146 65.847 12.849 1.424 1.00 0.70 H new ATOM 942 N ARG A 147 66.349 10.303 0.260 1.00 0.54 N ATOM 943 CA ARG A 147 66.061 9.197 -0.699 1.00 0.49 C ATOM 944 C ARG A 147 66.612 7.871 -0.168 1.00 0.44 C ATOM 945 O ARG A 147 67.314 7.829 0.822 1.00 0.56 O ATOM 946 CB ARG A 147 66.775 9.596 -1.992 1.00 0.57 C ATOM 947 CG ARG A 147 65.872 10.522 -2.808 1.00 0.78 C ATOM 948 CD ARG A 147 66.719 11.615 -3.462 1.00 0.73 C ATOM 949 NE ARG A 147 66.274 12.882 -2.818 1.00 1.07 N ATOM 950 CZ ARG A 147 66.819 14.016 -3.165 1.00 1.60 C ATOM 951 NH1 ARG A 147 67.007 14.291 -4.427 1.00 2.22 N ATOM 952 NH2 ARG A 147 67.177 14.875 -2.250 1.00 2.32 N ATOM 0 H ARG A 147 67.315 10.631 0.269 1.00 0.54 H new ATOM 0 HA ARG A 147 64.991 9.054 -0.851 1.00 0.49 H new ATOM 0 HB2 ARG A 147 67.715 10.098 -1.761 1.00 0.57 H new ATOM 0 HB3 ARG A 147 67.022 8.707 -2.573 1.00 0.57 H new ATOM 0 HG2 ARG A 147 65.343 9.951 -3.571 1.00 0.78 H new ATOM 0 HG3 ARG A 147 65.116 10.970 -2.164 1.00 0.78 H new ATOM 0 HD2 ARG A 147 67.783 11.441 -3.299 1.00 0.73 H new ATOM 0 HD3 ARG A 147 66.563 11.644 -4.540 1.00 0.73 H new ATOM 0 HE ARG A 147 65.544 12.864 -2.106 1.00 1.07 H new ATOM 0 HH11 ARG A 147 66.728 13.620 -5.142 1.00 2.22 H new ATOM 0 HH12 ARG A 147 67.433 15.177 -4.698 1.00 2.22 H new ATOM 0 HH21 ARG A 147 67.031 14.660 -1.264 1.00 2.32 H new ATOM 0 HH22 ARG A 147 67.603 15.761 -2.521 1.00 2.32 H new ATOM 966 N ILE A 148 66.296 6.788 -0.824 1.00 0.35 N ATOM 967 CA ILE A 148 66.796 5.460 -0.365 1.00 0.36 C ATOM 968 C ILE A 148 67.351 4.673 -1.558 1.00 0.40 C ATOM 969 O ILE A 148 66.825 4.733 -2.652 1.00 0.41 O ATOM 970 CB ILE A 148 65.565 4.763 0.230 1.00 0.35 C ATOM 971 CG1 ILE A 148 65.353 5.248 1.666 1.00 0.40 C ATOM 972 CG2 ILE A 148 65.774 3.246 0.234 1.00 0.43 C ATOM 973 CD1 ILE A 148 64.221 4.448 2.315 1.00 0.40 C ATOM 0 H ILE A 148 65.712 6.765 -1.660 1.00 0.35 H new ATOM 0 HA ILE A 148 67.604 5.540 0.362 1.00 0.36 H new ATOM 0 HB ILE A 148 64.690 5.003 -0.375 1.00 0.35 H new ATOM 0 HG12 ILE A 148 66.272 5.129 2.240 1.00 0.40 H new ATOM 0 HG13 ILE A 148 65.110 6.311 1.670 1.00 0.40 H new ATOM 0 HG21 ILE A 148 64.896 2.759 0.658 1.00 0.43 H new ATOM 0 HG22 ILE A 148 65.925 2.897 -0.787 1.00 0.43 H new ATOM 0 HG23 ILE A 148 66.650 3.001 0.834 1.00 0.43 H new ATOM 0 HD11 ILE A 148 64.071 4.794 3.338 1.00 0.40 H new ATOM 0 HD12 ILE A 148 63.303 4.589 1.745 1.00 0.40 H new ATOM 0 HD13 ILE A 148 64.482 3.390 2.325 1.00 0.40 H new ATOM 985 N ASP A 149 68.411 3.938 -1.358 1.00 0.47 N ATOM 986 CA ASP A 149 68.997 3.152 -2.484 1.00 0.55 C ATOM 987 C ASP A 149 68.971 1.655 -2.161 1.00 0.58 C ATOM 988 O ASP A 149 68.270 1.212 -1.273 1.00 0.54 O ATOM 989 CB ASP A 149 70.440 3.651 -2.629 1.00 0.65 C ATOM 990 CG ASP A 149 71.042 3.934 -1.249 1.00 1.32 C ATOM 991 OD1 ASP A 149 71.373 2.984 -0.562 1.00 2.16 O ATOM 992 OD2 ASP A 149 71.160 5.099 -0.905 1.00 2.00 O ATOM 0 H ASP A 149 68.897 3.847 -0.466 1.00 0.47 H new ATOM 0 HA ASP A 149 68.433 3.285 -3.407 1.00 0.55 H new ATOM 0 HB2 ASP A 149 71.040 2.905 -3.150 1.00 0.65 H new ATOM 0 HB3 ASP A 149 70.460 4.556 -3.236 1.00 0.65 H new ATOM 997 N TYR A 150 69.726 0.871 -2.882 1.00 0.67 N ATOM 998 CA TYR A 150 69.742 -0.600 -2.628 1.00 0.73 C ATOM 999 C TYR A 150 70.405 -0.909 -1.283 1.00 0.75 C ATOM 1000 O TYR A 150 70.453 -2.046 -0.854 1.00 0.76 O ATOM 1001 CB TYR A 150 70.564 -1.188 -3.775 1.00 0.84 C ATOM 1002 CG TYR A 150 69.757 -2.249 -4.483 1.00 0.97 C ATOM 1003 CD1 TYR A 150 69.263 -3.346 -3.768 1.00 1.74 C ATOM 1004 CD2 TYR A 150 69.504 -2.136 -5.855 1.00 1.63 C ATOM 1005 CE1 TYR A 150 68.515 -4.330 -4.425 1.00 2.14 C ATOM 1006 CE2 TYR A 150 68.756 -3.120 -6.512 1.00 2.06 C ATOM 1007 CZ TYR A 150 68.262 -4.217 -5.798 1.00 2.02 C ATOM 1008 OH TYR A 150 67.524 -5.187 -6.446 1.00 2.63 O ATOM 0 H TYR A 150 70.334 1.186 -3.638 1.00 0.67 H new ATOM 0 HA TYR A 150 68.736 -1.018 -2.584 1.00 0.73 H new ATOM 0 HB2 TYR A 150 70.844 -0.402 -4.476 1.00 0.84 H new ATOM 0 HB3 TYR A 150 71.489 -1.617 -3.390 1.00 0.84 H new ATOM 0 HD1 TYR A 150 69.459 -3.433 -2.710 1.00 1.74 H new ATOM 0 HD2 TYR A 150 69.886 -1.290 -6.407 1.00 1.63 H new ATOM 0 HE1 TYR A 150 68.133 -5.176 -3.873 1.00 2.14 H new ATOM 0 HE2 TYR A 150 68.560 -3.032 -7.570 1.00 2.06 H new ATOM 0 HH TYR A 150 68.116 -5.916 -6.726 1.00 2.63 H new ATOM 1018 N ASP A 151 70.918 0.085 -0.613 1.00 0.78 N ATOM 1019 CA ASP A 151 71.576 -0.165 0.701 1.00 0.82 C ATOM 1020 C ASP A 151 70.682 0.320 1.846 1.00 0.74 C ATOM 1021 O ASP A 151 70.548 -0.335 2.860 1.00 0.76 O ATOM 1022 CB ASP A 151 72.876 0.640 0.655 1.00 0.87 C ATOM 1023 CG ASP A 151 73.766 0.108 -0.472 1.00 1.31 C ATOM 1024 OD1 ASP A 151 73.255 -0.077 -1.565 1.00 2.08 O ATOM 1025 OD2 ASP A 151 74.940 -0.105 -0.223 1.00 1.67 O ATOM 0 H ASP A 151 70.910 1.058 -0.917 1.00 0.78 H new ATOM 0 HA ASP A 151 71.760 -1.225 0.873 1.00 0.82 H new ATOM 0 HB2 ASP A 151 72.657 1.695 0.493 1.00 0.87 H new ATOM 0 HB3 ASP A 151 73.396 0.566 1.610 1.00 0.87 H new ATOM 1030 N GLU A 152 70.067 1.461 1.692 1.00 0.67 N ATOM 1031 CA GLU A 152 69.181 1.980 2.774 1.00 0.61 C ATOM 1032 C GLU A 152 67.861 1.204 2.794 1.00 0.58 C ATOM 1033 O GLU A 152 67.248 1.030 3.829 1.00 0.58 O ATOM 1034 CB GLU A 152 68.934 3.448 2.420 1.00 0.59 C ATOM 1035 CG GLU A 152 70.261 4.120 2.065 1.00 0.76 C ATOM 1036 CD GLU A 152 70.221 5.587 2.498 1.00 0.75 C ATOM 1037 OE1 GLU A 152 69.353 5.929 3.283 1.00 1.20 O ATOM 1038 OE2 GLU A 152 71.061 6.343 2.036 1.00 1.39 O ATOM 0 H GLU A 152 70.139 2.055 0.866 1.00 0.67 H new ATOM 0 HA GLU A 152 69.630 1.870 3.761 1.00 0.61 H new ATOM 0 HB2 GLU A 152 68.243 3.519 1.580 1.00 0.59 H new ATOM 0 HB3 GLU A 152 68.468 3.962 3.261 1.00 0.59 H new ATOM 0 HG2 GLU A 152 71.085 3.606 2.560 1.00 0.76 H new ATOM 0 HG3 GLU A 152 70.440 4.051 0.992 1.00 0.76 H new ATOM 1045 N PHE A 153 67.419 0.739 1.659 1.00 0.60 N ATOM 1046 CA PHE A 153 66.137 -0.025 1.613 1.00 0.61 C ATOM 1047 C PHE A 153 66.332 -1.421 2.208 1.00 0.66 C ATOM 1048 O PHE A 153 65.434 -1.982 2.805 1.00 0.71 O ATOM 1049 CB PHE A 153 65.785 -0.117 0.129 1.00 0.64 C ATOM 1050 CG PHE A 153 64.463 -0.831 -0.033 1.00 0.68 C ATOM 1051 CD1 PHE A 153 64.410 -2.228 0.037 1.00 1.18 C ATOM 1052 CD2 PHE A 153 63.292 -0.096 -0.250 1.00 1.47 C ATOM 1053 CE1 PHE A 153 63.185 -2.890 -0.113 1.00 1.24 C ATOM 1054 CE2 PHE A 153 62.068 -0.758 -0.398 1.00 1.55 C ATOM 1055 CZ PHE A 153 62.014 -2.154 -0.330 1.00 0.93 C ATOM 0 H PHE A 153 67.888 0.854 0.761 1.00 0.60 H new ATOM 0 HA PHE A 153 65.347 0.457 2.189 1.00 0.61 H new ATOM 0 HB2 PHE A 153 65.726 0.882 -0.304 1.00 0.64 H new ATOM 0 HB3 PHE A 153 66.568 -0.652 -0.409 1.00 0.64 H new ATOM 0 HD1 PHE A 153 65.313 -2.795 0.207 1.00 1.18 H new ATOM 0 HD2 PHE A 153 63.333 0.982 -0.303 1.00 1.47 H new ATOM 0 HE1 PHE A 153 63.144 -3.968 -0.061 1.00 1.24 H new ATOM 0 HE2 PHE A 153 61.164 -0.191 -0.565 1.00 1.55 H new ATOM 0 HZ PHE A 153 61.069 -2.664 -0.445 1.00 0.93 H new ATOM 1065 N LEU A 154 67.497 -1.988 2.054 1.00 0.72 N ATOM 1066 CA LEU A 154 67.740 -3.347 2.617 1.00 0.80 C ATOM 1067 C LEU A 154 67.503 -3.333 4.129 1.00 0.79 C ATOM 1068 O LEU A 154 66.756 -4.133 4.656 1.00 0.82 O ATOM 1069 CB LEU A 154 69.203 -3.654 2.301 1.00 0.92 C ATOM 1070 CG LEU A 154 69.273 -4.743 1.230 1.00 0.85 C ATOM 1071 CD1 LEU A 154 68.507 -5.978 1.708 1.00 1.74 C ATOM 1072 CD2 LEU A 154 68.644 -4.224 -0.065 1.00 1.54 C ATOM 0 H LEU A 154 68.289 -1.571 1.565 1.00 0.72 H new ATOM 0 HA LEU A 154 67.072 -4.098 2.196 1.00 0.80 H new ATOM 0 HB2 LEU A 154 69.708 -2.753 1.953 1.00 0.92 H new ATOM 0 HB3 LEU A 154 69.720 -3.981 3.203 1.00 0.92 H new ATOM 0 HG LEU A 154 70.315 -5.009 1.049 1.00 0.85 H new ATOM 0 HD11 LEU A 154 68.556 -6.755 0.945 1.00 1.74 H new ATOM 0 HD12 LEU A 154 68.953 -6.348 2.632 1.00 1.74 H new ATOM 0 HD13 LEU A 154 67.465 -5.713 1.889 1.00 1.74 H new ATOM 0 HD21 LEU A 154 68.693 -4.999 -0.830 1.00 1.54 H new ATOM 0 HD22 LEU A 154 67.602 -3.959 0.117 1.00 1.54 H new ATOM 0 HD23 LEU A 154 69.188 -3.343 -0.406 1.00 1.54 H new ATOM 1084 N GLU A 155 68.127 -2.425 4.829 1.00 0.79 N ATOM 1085 CA GLU A 155 67.927 -2.358 6.305 1.00 0.82 C ATOM 1086 C GLU A 155 66.488 -1.934 6.614 1.00 0.81 C ATOM 1087 O GLU A 155 65.932 -2.286 7.635 1.00 0.90 O ATOM 1088 CB GLU A 155 68.917 -1.299 6.792 1.00 0.85 C ATOM 1089 CG GLU A 155 69.845 -1.912 7.843 1.00 0.95 C ATOM 1090 CD GLU A 155 70.423 -0.801 8.722 1.00 1.67 C ATOM 1091 OE1 GLU A 155 71.393 -0.188 8.306 1.00 2.27 O ATOM 1092 OE2 GLU A 155 69.886 -0.581 9.795 1.00 2.47 O ATOM 0 H GLU A 155 68.765 -1.728 4.444 1.00 0.79 H new ATOM 0 HA GLU A 155 68.091 -3.319 6.793 1.00 0.82 H new ATOM 0 HB2 GLU A 155 69.501 -0.919 5.954 1.00 0.85 H new ATOM 0 HB3 GLU A 155 68.379 -0.451 7.217 1.00 0.85 H new ATOM 0 HG2 GLU A 155 69.296 -2.627 8.456 1.00 0.95 H new ATOM 0 HG3 GLU A 155 70.651 -2.462 7.356 1.00 0.95 H new ATOM 1099 N PHE A 156 65.883 -1.183 5.734 1.00 0.75 N ATOM 1100 CA PHE A 156 64.478 -0.740 5.970 1.00 0.78 C ATOM 1101 C PHE A 156 63.586 -1.953 6.244 1.00 0.84 C ATOM 1102 O PHE A 156 63.057 -2.117 7.325 1.00 0.90 O ATOM 1103 CB PHE A 156 64.061 -0.051 4.670 1.00 0.78 C ATOM 1104 CG PHE A 156 62.874 0.847 4.930 1.00 0.85 C ATOM 1105 CD1 PHE A 156 61.711 0.324 5.508 1.00 1.27 C ATOM 1106 CD2 PHE A 156 62.937 2.203 4.590 1.00 1.66 C ATOM 1107 CE1 PHE A 156 60.611 1.158 5.747 1.00 1.31 C ATOM 1108 CE2 PHE A 156 61.839 3.037 4.828 1.00 1.77 C ATOM 1109 CZ PHE A 156 60.676 2.514 5.406 1.00 1.10 C ATOM 0 H PHE A 156 66.300 -0.857 4.862 1.00 0.75 H new ATOM 0 HA PHE A 156 64.389 -0.077 6.830 1.00 0.78 H new ATOM 0 HB2 PHE A 156 64.892 0.533 4.274 1.00 0.78 H new ATOM 0 HB3 PHE A 156 63.807 -0.797 3.917 1.00 0.78 H new ATOM 0 HD1 PHE A 156 61.662 -0.723 5.770 1.00 1.27 H new ATOM 0 HD2 PHE A 156 63.834 2.606 4.143 1.00 1.66 H new ATOM 0 HE1 PHE A 156 59.714 0.755 6.194 1.00 1.31 H new ATOM 0 HE2 PHE A 156 61.889 4.084 4.566 1.00 1.77 H new ATOM 0 HZ PHE A 156 59.828 3.157 5.589 1.00 1.10 H new ATOM 1119 N MET A 157 63.417 -2.803 5.268 1.00 0.86 N ATOM 1120 CA MET A 157 62.561 -4.007 5.466 1.00 0.95 C ATOM 1121 C MET A 157 63.121 -4.877 6.595 1.00 0.99 C ATOM 1122 O MET A 157 62.400 -5.604 7.249 1.00 1.12 O ATOM 1123 CB MET A 157 62.615 -4.754 4.134 1.00 0.99 C ATOM 1124 CG MET A 157 61.925 -3.920 3.053 1.00 1.28 C ATOM 1125 SD MET A 157 60.352 -4.695 2.606 1.00 1.48 S ATOM 1126 CE MET A 157 59.439 -3.172 2.252 1.00 1.12 C ATOM 0 H MET A 157 63.835 -2.716 4.342 1.00 0.86 H new ATOM 0 HA MET A 157 61.540 -3.746 5.746 1.00 0.95 H new ATOM 0 HB2 MET A 157 63.651 -4.946 3.854 1.00 0.99 H new ATOM 0 HB3 MET A 157 62.125 -5.723 4.228 1.00 0.99 H new ATOM 0 HG2 MET A 157 61.753 -2.906 3.415 1.00 1.28 H new ATOM 0 HG3 MET A 157 62.566 -3.841 2.175 1.00 1.28 H new ATOM 0 HE1 MET A 157 58.394 -3.412 2.055 1.00 1.12 H new ATOM 0 HE2 MET A 157 59.502 -2.502 3.110 1.00 1.12 H new ATOM 0 HE3 MET A 157 59.871 -2.684 1.378 1.00 1.12 H new ATOM 1136 N LYS A 158 64.404 -4.809 6.830 1.00 0.94 N ATOM 1137 CA LYS A 158 65.005 -5.631 7.919 1.00 1.02 C ATOM 1138 C LYS A 158 64.317 -5.322 9.250 1.00 1.05 C ATOM 1139 O LYS A 158 63.859 -6.207 9.945 1.00 1.20 O ATOM 1140 CB LYS A 158 66.477 -5.218 7.964 1.00 1.07 C ATOM 1141 CG LYS A 158 67.335 -6.322 7.341 1.00 1.26 C ATOM 1142 CD LYS A 158 68.664 -6.423 8.090 1.00 1.53 C ATOM 1143 CE LYS A 158 69.800 -6.652 7.089 1.00 1.45 C ATOM 1144 NZ LYS A 158 70.822 -7.434 7.837 1.00 2.07 N ATOM 0 H LYS A 158 65.060 -4.221 6.316 1.00 0.94 H new ATOM 0 HA LYS A 158 64.890 -6.700 7.742 1.00 1.02 H new ATOM 0 HB2 LYS A 158 66.620 -4.282 7.423 1.00 1.07 H new ATOM 0 HB3 LYS A 158 66.785 -5.041 8.994 1.00 1.07 H new ATOM 0 HG2 LYS A 158 66.808 -7.275 7.385 1.00 1.26 H new ATOM 0 HG3 LYS A 158 67.515 -6.106 6.288 1.00 1.26 H new ATOM 0 HD2 LYS A 158 68.844 -5.510 8.657 1.00 1.53 H new ATOM 0 HD3 LYS A 158 68.627 -7.242 8.808 1.00 1.53 H new ATOM 0 HE2 LYS A 158 69.450 -7.197 6.213 1.00 1.45 H new ATOM 0 HE3 LYS A 158 70.209 -5.706 6.733 1.00 1.45 H new ATOM 0 HZ1 LYS A 158 71.633 -7.630 7.216 1.00 2.07 H new ATOM 0 HZ2 LYS A 158 71.142 -6.887 8.662 1.00 2.07 H new ATOM 0 HZ3 LYS A 158 70.406 -8.332 8.157 1.00 2.07 H new