USER MOD reduce.3.24.130724 H: found=0, std=0, add=449, rem=0, adj=9 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 98 SER OG : rot -109:sc= 0.893 USER MOD Set 1.2: A 150 TYR OH : rot 180:sc= 0.722 USER MOD Single : A 103 MET CE :methyl -148:sc= -0.691 (180deg=-3.13!) USER MOD Single : A 106 LYS NZ :NH3+ 180:sc= -0.311 (180deg=-0.311) USER MOD Single : A 107 ASN : amide:sc= -7.15! C(o=-7.1!,f=-9.3!) 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 120 MET CE :methyl 153:sc= -0.915 (180deg=-2.4) USER MOD Single : A 122 GLN : amide:sc= -3.07! C(o=-3.1!,f=-4.4!) USER MOD Single : A 129 THR OG1 : rot -36:sc= -0.0279 USER MOD Single : A 137 MET CE :methyl -114:sc= -7.4! (180deg=-10.4!) USER MOD Single : A 138 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 142 LYS NZ :NH3+ 153:sc= -0.318 (180deg=-2.01!) USER MOD Single : A 143 ASN : amide:sc= -4.14! C(o=-4.1!,f=-10!) USER MOD Single : A 144 ASN :FLIP amide:sc= -0.109 F(o=-0.7,f=-0.11) USER MOD Single : A 157 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 158 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD ----------------------------------------------------------------- ATOM 155 N GLU A 96 64.775 -11.440 -2.594 1.00 1.38 N ATOM 156 CA GLU A 96 63.613 -10.939 -3.383 1.00 1.34 C ATOM 157 C GLU A 96 63.383 -9.453 -3.095 1.00 1.16 C ATOM 158 O GLU A 96 62.621 -8.790 -3.772 1.00 1.07 O ATOM 159 CB GLU A 96 62.422 -11.770 -2.906 1.00 1.51 C ATOM 160 CG GLU A 96 61.937 -12.668 -4.045 1.00 2.07 C ATOM 161 CD GLU A 96 62.784 -13.942 -4.089 1.00 2.19 C ATOM 162 OE1 GLU A 96 63.959 -13.837 -4.399 1.00 2.60 O ATOM 163 OE2 GLU A 96 62.243 -14.999 -3.813 1.00 2.61 O ATOM 0 HA GLU A 96 63.770 -11.034 -4.457 1.00 1.34 H new ATOM 0 HB2 GLU A 96 62.709 -12.377 -2.047 1.00 1.51 H new ATOM 0 HB3 GLU A 96 61.616 -11.114 -2.577 1.00 1.51 H new ATOM 0 HG2 GLU A 96 60.887 -12.922 -3.900 1.00 2.07 H new ATOM 0 HG3 GLU A 96 62.008 -12.138 -4.995 1.00 2.07 H new ATOM 170 N LEU A 97 64.036 -8.925 -2.096 1.00 1.14 N ATOM 171 CA LEU A 97 63.855 -7.482 -1.765 1.00 0.99 C ATOM 172 C LEU A 97 64.538 -6.610 -2.821 1.00 0.82 C ATOM 173 O LEU A 97 63.987 -5.631 -3.284 1.00 0.70 O ATOM 174 CB LEU A 97 64.529 -7.300 -0.404 1.00 1.03 C ATOM 175 CG LEU A 97 63.550 -7.685 0.705 1.00 1.31 C ATOM 176 CD1 LEU A 97 64.282 -7.707 2.048 1.00 1.57 C ATOM 177 CD2 LEU A 97 62.415 -6.660 0.760 1.00 1.71 C ATOM 0 H LEU A 97 64.687 -9.430 -1.495 1.00 1.14 H new ATOM 0 HA LEU A 97 62.805 -7.192 -1.742 1.00 0.99 H new ATOM 0 HB2 LEU A 97 65.425 -7.919 -0.344 1.00 1.03 H new ATOM 0 HB3 LEU A 97 64.848 -6.265 -0.279 1.00 1.03 H new ATOM 0 HG LEU A 97 63.139 -8.673 0.500 1.00 1.31 H new ATOM 0 HD11 LEU A 97 63.584 -7.982 2.839 1.00 1.57 H new ATOM 0 HD12 LEU A 97 65.091 -8.436 2.009 1.00 1.57 H new ATOM 0 HD13 LEU A 97 64.693 -6.719 2.254 1.00 1.57 H new ATOM 0 HD21 LEU A 97 61.716 -6.933 1.550 1.00 1.71 H new ATOM 0 HD22 LEU A 97 62.827 -5.672 0.965 1.00 1.71 H new ATOM 0 HD23 LEU A 97 61.893 -6.644 -0.197 1.00 1.71 H new ATOM 189 N SER A 98 65.734 -6.959 -3.205 1.00 0.87 N ATOM 190 CA SER A 98 66.453 -6.152 -4.231 1.00 0.78 C ATOM 191 C SER A 98 65.508 -5.793 -5.381 1.00 0.75 C ATOM 192 O SER A 98 65.410 -4.650 -5.782 1.00 0.74 O ATOM 193 CB SER A 98 67.581 -7.057 -4.724 1.00 0.93 C ATOM 194 OG SER A 98 68.111 -7.786 -3.626 1.00 1.41 O ATOM 0 H SER A 98 66.245 -7.768 -2.853 1.00 0.87 H new ATOM 0 HA SER A 98 66.831 -5.212 -3.828 1.00 0.78 H new ATOM 0 HB2 SER A 98 67.207 -7.743 -5.484 1.00 0.93 H new ATOM 0 HB3 SER A 98 68.364 -6.460 -5.191 1.00 0.93 H new ATOM 0 HG SER A 98 69.006 -7.450 -3.412 1.00 1.41 H new ATOM 200 N ASP A 99 64.811 -6.759 -5.913 1.00 0.80 N ATOM 201 CA ASP A 99 63.873 -6.470 -7.037 1.00 0.82 C ATOM 202 C ASP A 99 62.742 -5.557 -6.559 1.00 0.77 C ATOM 203 O ASP A 99 62.302 -4.675 -7.270 1.00 0.77 O ATOM 204 CB ASP A 99 63.324 -7.835 -7.455 1.00 0.93 C ATOM 205 CG ASP A 99 64.460 -8.693 -8.016 1.00 1.45 C ATOM 206 OD1 ASP A 99 65.558 -8.177 -8.144 1.00 1.92 O ATOM 207 OD2 ASP A 99 64.213 -9.851 -8.307 1.00 2.18 O ATOM 0 H ASP A 99 64.849 -7.735 -5.619 1.00 0.80 H new ATOM 0 HA ASP A 99 64.364 -5.959 -7.865 1.00 0.82 H new ATOM 0 HB2 ASP A 99 62.867 -8.332 -6.599 1.00 0.93 H new ATOM 0 HB3 ASP A 99 62.544 -7.710 -8.206 1.00 0.93 H new ATOM 212 N LEU A 100 62.271 -5.755 -5.358 1.00 0.77 N ATOM 213 CA LEU A 100 61.172 -4.891 -4.840 1.00 0.77 C ATOM 214 C LEU A 100 61.590 -3.420 -4.908 1.00 0.64 C ATOM 215 O LEU A 100 60.773 -2.540 -5.087 1.00 0.64 O ATOM 216 CB LEU A 100 60.971 -5.331 -3.389 1.00 0.85 C ATOM 217 CG LEU A 100 60.274 -6.693 -3.360 1.00 1.16 C ATOM 218 CD1 LEU A 100 59.889 -7.041 -1.921 1.00 1.54 C ATOM 219 CD2 LEU A 100 59.012 -6.637 -4.224 1.00 1.57 C ATOM 0 H LEU A 100 62.598 -6.476 -4.715 1.00 0.77 H new ATOM 0 HA LEU A 100 60.255 -4.989 -5.421 1.00 0.77 H new ATOM 0 HB2 LEU A 100 61.933 -5.392 -2.880 1.00 0.85 H new ATOM 0 HB3 LEU A 100 60.373 -4.593 -2.854 1.00 0.85 H new ATOM 0 HG LEU A 100 60.950 -7.454 -3.749 1.00 1.16 H new ATOM 0 HD11 LEU A 100 59.393 -8.011 -1.902 1.00 1.54 H new ATOM 0 HD12 LEU A 100 60.786 -7.080 -1.304 1.00 1.54 H new ATOM 0 HD13 LEU A 100 59.213 -6.280 -1.531 1.00 1.54 H new ATOM 0 HD21 LEU A 100 58.514 -7.607 -4.204 1.00 1.57 H new ATOM 0 HD22 LEU A 100 58.337 -5.875 -3.834 1.00 1.57 H new ATOM 0 HD23 LEU A 100 59.284 -6.390 -5.250 1.00 1.57 H new ATOM 231 N PHE A 101 62.860 -3.149 -4.773 1.00 0.60 N ATOM 232 CA PHE A 101 63.333 -1.736 -4.837 1.00 0.53 C ATOM 233 C PHE A 101 63.217 -1.214 -6.271 1.00 0.49 C ATOM 234 O PHE A 101 62.555 -0.229 -6.530 1.00 0.61 O ATOM 235 CB PHE A 101 64.799 -1.790 -4.393 1.00 0.57 C ATOM 236 CG PHE A 101 65.446 -0.428 -4.542 1.00 0.46 C ATOM 237 CD1 PHE A 101 64.666 0.706 -4.811 1.00 1.23 C ATOM 238 CD2 PHE A 101 66.835 -0.303 -4.412 1.00 1.31 C ATOM 239 CE1 PHE A 101 65.275 1.958 -4.949 1.00 1.23 C ATOM 240 CE2 PHE A 101 67.442 0.951 -4.550 1.00 1.30 C ATOM 241 CZ PHE A 101 66.662 2.081 -4.818 1.00 0.40 C ATOM 0 H PHE A 101 63.590 -3.845 -4.621 1.00 0.60 H new ATOM 0 HA PHE A 101 62.746 -1.068 -4.207 1.00 0.53 H new ATOM 0 HB2 PHE A 101 64.859 -2.117 -3.355 1.00 0.57 H new ATOM 0 HB3 PHE A 101 65.340 -2.524 -4.990 1.00 0.57 H new ATOM 0 HD1 PHE A 101 63.595 0.613 -4.912 1.00 1.23 H new ATOM 0 HD2 PHE A 101 67.438 -1.175 -4.205 1.00 1.31 H new ATOM 0 HE1 PHE A 101 64.673 2.830 -5.157 1.00 1.23 H new ATOM 0 HE2 PHE A 101 68.513 1.046 -4.449 1.00 1.30 H new ATOM 0 HZ PHE A 101 67.131 3.048 -4.924 1.00 0.40 H new ATOM 251 N ARG A 102 63.851 -1.867 -7.205 1.00 0.53 N ATOM 252 CA ARG A 102 63.768 -1.404 -8.619 1.00 0.70 C ATOM 253 C ARG A 102 62.343 -1.588 -9.147 1.00 0.80 C ATOM 254 O ARG A 102 62.000 -1.120 -10.215 1.00 1.09 O ATOM 255 CB ARG A 102 64.744 -2.296 -9.386 1.00 0.87 C ATOM 256 CG ARG A 102 64.923 -1.755 -10.805 1.00 1.28 C ATOM 257 CD ARG A 102 66.356 -2.013 -11.273 1.00 1.83 C ATOM 258 NE ARG A 102 66.287 -3.295 -12.028 1.00 2.26 N ATOM 259 CZ ARG A 102 66.912 -4.350 -11.582 1.00 2.89 C ATOM 260 NH1 ARG A 102 66.603 -4.847 -10.415 1.00 3.68 N ATOM 261 NH2 ARG A 102 67.846 -4.908 -12.303 1.00 3.22 N ATOM 0 H ARG A 102 64.421 -2.699 -7.051 1.00 0.53 H new ATOM 0 HA ARG A 102 64.014 -0.348 -8.725 1.00 0.70 H new ATOM 0 HB2 ARG A 102 65.705 -2.326 -8.873 1.00 0.87 H new ATOM 0 HB3 ARG A 102 64.369 -3.319 -9.420 1.00 0.87 H new ATOM 0 HG2 ARG A 102 64.216 -2.236 -11.481 1.00 1.28 H new ATOM 0 HG3 ARG A 102 64.709 -0.687 -10.828 1.00 1.28 H new ATOM 0 HD2 ARG A 102 66.718 -1.201 -11.904 1.00 1.83 H new ATOM 0 HD3 ARG A 102 67.040 -2.088 -10.428 1.00 1.83 H new ATOM 0 HE ARG A 102 65.751 -3.348 -12.894 1.00 2.26 H new ATOM 0 HH11 ARG A 102 65.873 -4.411 -9.852 1.00 3.68 H new ATOM 0 HH12 ARG A 102 67.092 -5.672 -10.066 1.00 3.68 H new ATOM 0 HH21 ARG A 102 68.087 -4.519 -13.215 1.00 3.22 H new ATOM 0 HH22 ARG A 102 68.335 -5.733 -11.955 1.00 3.22 H new ATOM 275 N MET A 103 61.511 -2.269 -8.406 1.00 0.68 N ATOM 276 CA MET A 103 60.109 -2.486 -8.866 1.00 0.81 C ATOM 277 C MET A 103 59.166 -1.459 -8.230 1.00 0.79 C ATOM 278 O MET A 103 58.122 -1.148 -8.767 1.00 0.90 O ATOM 279 CB MET A 103 59.754 -3.897 -8.397 1.00 0.91 C ATOM 280 CG MET A 103 60.254 -4.919 -9.419 1.00 1.35 C ATOM 281 SD MET A 103 58.849 -5.852 -10.076 1.00 1.92 S ATOM 282 CE MET A 103 58.105 -6.294 -8.486 1.00 1.63 C ATOM 0 H MET A 103 61.741 -2.684 -7.503 1.00 0.68 H new ATOM 0 HA MET A 103 60.012 -2.373 -9.946 1.00 0.81 H new ATOM 0 HB2 MET A 103 60.204 -4.091 -7.423 1.00 0.91 H new ATOM 0 HB3 MET A 103 58.675 -3.989 -8.274 1.00 0.91 H new ATOM 0 HG2 MET A 103 60.779 -4.412 -10.229 1.00 1.35 H new ATOM 0 HG3 MET A 103 60.968 -5.597 -8.952 1.00 1.35 H new ATOM 0 HE1 MET A 103 57.616 -7.265 -8.570 1.00 1.63 H new ATOM 0 HE2 MET A 103 58.881 -6.343 -7.722 1.00 1.63 H new ATOM 0 HE3 MET A 103 57.369 -5.540 -8.207 1.00 1.63 H new ATOM 292 N PHE A 104 59.519 -0.934 -7.087 1.00 0.71 N ATOM 293 CA PHE A 104 58.631 0.067 -6.425 1.00 0.75 C ATOM 294 C PHE A 104 59.117 1.489 -6.716 1.00 0.68 C ATOM 295 O PHE A 104 58.564 2.454 -6.226 1.00 0.80 O ATOM 296 CB PHE A 104 58.734 -0.234 -4.929 1.00 0.76 C ATOM 297 CG PHE A 104 57.518 -1.014 -4.484 1.00 1.03 C ATOM 298 CD1 PHE A 104 56.251 -0.417 -4.516 1.00 1.71 C ATOM 299 CD2 PHE A 104 57.659 -2.334 -4.040 1.00 1.67 C ATOM 300 CE1 PHE A 104 55.126 -1.142 -4.103 1.00 2.03 C ATOM 301 CE2 PHE A 104 56.534 -3.057 -3.627 1.00 1.90 C ATOM 302 CZ PHE A 104 55.267 -2.462 -3.659 1.00 1.76 C ATOM 0 H PHE A 104 60.379 -1.153 -6.585 1.00 0.71 H new ATOM 0 HA PHE A 104 57.605 0.002 -6.786 1.00 0.75 H new ATOM 0 HB2 PHE A 104 59.640 -0.805 -4.724 1.00 0.76 H new ATOM 0 HB3 PHE A 104 58.809 0.696 -4.365 1.00 0.76 H new ATOM 0 HD1 PHE A 104 56.142 0.601 -4.859 1.00 1.71 H new ATOM 0 HD2 PHE A 104 58.636 -2.794 -4.016 1.00 1.67 H new ATOM 0 HE1 PHE A 104 54.149 -0.682 -4.127 1.00 2.03 H new ATOM 0 HE2 PHE A 104 56.643 -4.075 -3.283 1.00 1.90 H new ATOM 0 HZ PHE A 104 54.399 -3.021 -3.341 1.00 1.76 H new ATOM 312 N ASP A 105 60.146 1.629 -7.506 1.00 0.58 N ATOM 313 CA ASP A 105 60.661 2.993 -7.822 1.00 0.52 C ATOM 314 C ASP A 105 59.654 3.750 -8.692 1.00 0.52 C ATOM 315 O ASP A 105 59.758 3.770 -9.903 1.00 0.60 O ATOM 316 CB ASP A 105 61.963 2.757 -8.590 1.00 0.60 C ATOM 317 CG ASP A 105 62.848 4.001 -8.494 1.00 0.51 C ATOM 318 OD1 ASP A 105 62.437 4.949 -7.845 1.00 0.48 O ATOM 319 OD2 ASP A 105 63.923 3.985 -9.071 1.00 0.54 O ATOM 0 H ASP A 105 60.652 0.860 -7.946 1.00 0.58 H new ATOM 0 HA ASP A 105 60.820 3.593 -6.926 1.00 0.52 H new ATOM 0 HB2 ASP A 105 62.487 1.893 -8.181 1.00 0.60 H new ATOM 0 HB3 ASP A 105 61.746 2.533 -9.634 1.00 0.60 H new ATOM 324 N LYS A 106 58.681 4.376 -8.087 1.00 0.51 N ATOM 325 CA LYS A 106 57.674 5.132 -8.883 1.00 0.60 C ATOM 326 C LYS A 106 58.380 6.131 -9.803 1.00 0.59 C ATOM 327 O LYS A 106 58.056 6.255 -10.967 1.00 0.70 O ATOM 328 CB LYS A 106 56.818 5.866 -7.850 1.00 0.63 C ATOM 329 CG LYS A 106 55.750 6.693 -8.568 1.00 1.39 C ATOM 330 CD LYS A 106 55.026 5.815 -9.591 1.00 1.58 C ATOM 331 CE LYS A 106 54.440 4.589 -8.889 1.00 2.00 C ATOM 332 NZ LYS A 106 53.011 4.552 -9.309 1.00 2.79 N ATOM 0 H LYS A 106 58.541 4.396 -7.077 1.00 0.51 H new ATOM 0 HA LYS A 106 57.072 4.481 -9.517 1.00 0.60 H new ATOM 0 HB2 LYS A 106 56.347 5.149 -7.177 1.00 0.63 H new ATOM 0 HB3 LYS A 106 57.444 6.514 -7.237 1.00 0.63 H new ATOM 0 HG2 LYS A 106 55.037 7.091 -7.846 1.00 1.39 H new ATOM 0 HG3 LYS A 106 56.210 7.546 -9.066 1.00 1.39 H new ATOM 0 HD2 LYS A 106 54.232 6.383 -10.076 1.00 1.58 H new ATOM 0 HD3 LYS A 106 55.718 5.503 -10.373 1.00 1.58 H new ATOM 0 HE2 LYS A 106 54.962 3.678 -9.183 1.00 2.00 H new ATOM 0 HE3 LYS A 106 54.531 4.673 -7.806 1.00 2.00 H new ATOM 0 HZ1 LYS A 106 52.540 3.737 -8.867 1.00 2.79 H new ATOM 0 HZ2 LYS A 106 52.538 5.429 -9.009 1.00 2.79 H new ATOM 0 HZ3 LYS A 106 52.955 4.465 -10.344 1.00 2.79 H new ATOM 346 N ASN A 107 59.345 6.841 -9.287 1.00 0.53 N ATOM 347 CA ASN A 107 60.076 7.829 -10.131 1.00 0.59 C ATOM 348 C ASN A 107 61.043 7.100 -11.071 1.00 0.60 C ATOM 349 O ASN A 107 61.332 7.559 -12.158 1.00 0.71 O ATOM 350 CB ASN A 107 60.837 8.707 -9.132 1.00 0.62 C ATOM 351 CG ASN A 107 62.022 9.385 -9.826 1.00 1.10 C ATOM 352 OD1 ASN A 107 63.062 9.577 -9.226 1.00 1.50 O ATOM 353 ND2 ASN A 107 61.910 9.756 -11.072 1.00 1.67 N ATOM 0 H ASN A 107 59.659 6.780 -8.318 1.00 0.53 H new ATOM 0 HA ASN A 107 59.411 8.419 -10.762 1.00 0.59 H new ATOM 0 HB2 ASN A 107 60.169 9.461 -8.716 1.00 0.62 H new ATOM 0 HB3 ASN A 107 61.192 8.100 -8.299 1.00 0.62 H new ATOM 0 HD21 ASN A 107 62.695 10.207 -11.542 1.00 1.67 H new ATOM 0 HD22 ASN A 107 61.038 9.595 -11.576 1.00 1.67 H new ATOM 360 N ALA A 108 61.542 5.966 -10.660 1.00 0.56 N ATOM 361 CA ALA A 108 62.488 5.209 -11.530 1.00 0.62 C ATOM 362 C ALA A 108 63.757 6.029 -11.776 1.00 0.64 C ATOM 363 O ALA A 108 64.075 6.377 -12.896 1.00 0.78 O ATOM 364 CB ALA A 108 61.732 4.989 -12.840 1.00 0.72 C ATOM 0 H ALA A 108 61.336 5.531 -9.761 1.00 0.56 H new ATOM 0 HA ALA A 108 62.801 4.269 -11.076 1.00 0.62 H new ATOM 0 HB1 ALA A 108 62.363 4.436 -13.536 1.00 0.72 H new ATOM 0 HB2 ALA A 108 60.823 4.420 -12.644 1.00 0.72 H new ATOM 0 HB3 ALA A 108 61.470 5.953 -13.275 1.00 0.72 H new ATOM 370 N ASP A 109 64.485 6.341 -10.739 1.00 0.57 N ATOM 371 CA ASP A 109 65.732 7.138 -10.918 1.00 0.63 C ATOM 372 C ASP A 109 66.896 6.477 -10.174 1.00 0.63 C ATOM 373 O ASP A 109 67.926 7.081 -9.953 1.00 0.76 O ATOM 374 CB ASP A 109 65.418 8.509 -10.316 1.00 0.62 C ATOM 375 CG ASP A 109 65.417 8.412 -8.788 1.00 0.70 C ATOM 376 OD1 ASP A 109 64.447 7.906 -8.247 1.00 0.75 O ATOM 377 OD2 ASP A 109 66.386 8.844 -8.187 1.00 1.20 O ATOM 0 H ASP A 109 64.271 6.079 -9.777 1.00 0.57 H new ATOM 0 HA ASP A 109 66.027 7.211 -11.965 1.00 0.63 H new ATOM 0 HB2 ASP A 109 66.158 9.239 -10.643 1.00 0.62 H new ATOM 0 HB3 ASP A 109 64.448 8.859 -10.669 1.00 0.62 H new ATOM 382 N GLY A 110 66.739 5.241 -9.784 1.00 0.58 N ATOM 383 CA GLY A 110 67.836 4.545 -9.054 1.00 0.62 C ATOM 384 C GLY A 110 67.583 4.640 -7.548 1.00 0.54 C ATOM 385 O GLY A 110 68.070 3.840 -6.775 1.00 0.57 O ATOM 0 H GLY A 110 65.899 4.684 -9.939 1.00 0.58 H new ATOM 0 HA2 GLY A 110 67.886 3.500 -9.360 1.00 0.62 H new ATOM 0 HA3 GLY A 110 68.797 4.996 -9.302 1.00 0.62 H new ATOM 389 N TYR A 111 66.823 5.613 -7.128 1.00 0.50 N ATOM 390 CA TYR A 111 66.533 5.762 -5.672 1.00 0.48 C ATOM 391 C TYR A 111 65.069 6.156 -5.465 1.00 0.42 C ATOM 392 O TYR A 111 64.344 6.402 -6.409 1.00 0.52 O ATOM 393 CB TYR A 111 67.460 6.881 -5.194 1.00 0.52 C ATOM 394 CG TYR A 111 68.885 6.552 -5.572 1.00 0.60 C ATOM 395 CD1 TYR A 111 69.330 6.771 -6.881 1.00 1.36 C ATOM 396 CD2 TYR A 111 69.760 6.028 -4.613 1.00 1.38 C ATOM 397 CE1 TYR A 111 70.650 6.465 -7.231 1.00 1.40 C ATOM 398 CE2 TYR A 111 71.081 5.723 -4.963 1.00 1.46 C ATOM 399 CZ TYR A 111 71.526 5.941 -6.272 1.00 0.83 C ATOM 400 OH TYR A 111 72.827 5.640 -6.617 1.00 0.97 O ATOM 0 H TYR A 111 66.389 6.313 -7.730 1.00 0.50 H new ATOM 0 HA TYR A 111 66.696 4.835 -5.122 1.00 0.48 H new ATOM 0 HB2 TYR A 111 67.164 7.829 -5.642 1.00 0.52 H new ATOM 0 HB3 TYR A 111 67.377 6.999 -4.114 1.00 0.52 H new ATOM 0 HD1 TYR A 111 68.655 7.176 -7.620 1.00 1.36 H new ATOM 0 HD2 TYR A 111 69.416 5.859 -3.603 1.00 1.38 H new ATOM 0 HE1 TYR A 111 70.993 6.633 -8.241 1.00 1.40 H new ATOM 0 HE2 TYR A 111 71.756 5.320 -4.223 1.00 1.46 H new ATOM 0 HH TYR A 111 73.300 5.287 -5.834 1.00 0.97 H new ATOM 410 N ILE A 112 64.627 6.218 -4.239 1.00 0.36 N ATOM 411 CA ILE A 112 63.208 6.599 -3.981 1.00 0.32 C ATOM 412 C ILE A 112 63.136 7.725 -2.953 1.00 0.35 C ATOM 413 O ILE A 112 64.103 8.045 -2.292 1.00 0.43 O ATOM 414 CB ILE A 112 62.539 5.342 -3.434 1.00 0.32 C ATOM 415 CG1 ILE A 112 62.945 4.150 -4.318 1.00 0.40 C ATOM 416 CG2 ILE A 112 61.017 5.544 -3.435 1.00 0.35 C ATOM 417 CD1 ILE A 112 61.740 3.262 -4.649 1.00 0.46 C ATOM 0 H ILE A 112 65.184 6.022 -3.407 1.00 0.36 H new ATOM 0 HA ILE A 112 62.718 6.959 -4.886 1.00 0.32 H new ATOM 0 HB ILE A 112 62.856 5.144 -2.410 1.00 0.32 H new ATOM 0 HG12 ILE A 112 63.393 4.516 -5.242 1.00 0.40 H new ATOM 0 HG13 ILE A 112 63.705 3.559 -3.807 1.00 0.40 H new ATOM 0 HG21 ILE A 112 60.531 4.650 -3.045 1.00 0.35 H new ATOM 0 HG22 ILE A 112 60.763 6.398 -2.807 1.00 0.35 H new ATOM 0 HG23 ILE A 112 60.675 5.728 -4.453 1.00 0.35 H new ATOM 0 HD11 ILE A 112 62.062 2.430 -5.275 1.00 0.46 H new ATOM 0 HD12 ILE A 112 61.308 2.876 -3.726 1.00 0.46 H new ATOM 0 HD13 ILE A 112 60.992 3.848 -5.182 1.00 0.46 H new ATOM 429 N ASP A 113 61.990 8.319 -2.816 1.00 0.36 N ATOM 430 CA ASP A 113 61.827 9.426 -1.828 1.00 0.44 C ATOM 431 C ASP A 113 60.487 9.277 -1.103 1.00 0.44 C ATOM 432 O ASP A 113 59.562 8.686 -1.615 1.00 0.60 O ATOM 433 CB ASP A 113 61.863 10.723 -2.646 1.00 0.56 C ATOM 434 CG ASP A 113 61.162 10.520 -3.993 1.00 0.94 C ATOM 435 OD1 ASP A 113 60.101 9.923 -4.001 1.00 1.53 O ATOM 436 OD2 ASP A 113 61.702 10.966 -4.992 1.00 1.58 O ATOM 0 H ASP A 113 61.150 8.088 -3.347 1.00 0.36 H new ATOM 0 HA ASP A 113 62.609 9.419 -1.068 1.00 0.44 H new ATOM 0 HB2 ASP A 113 61.375 11.525 -2.091 1.00 0.56 H new ATOM 0 HB3 ASP A 113 62.896 11.030 -2.808 1.00 0.56 H new ATOM 441 N LEU A 114 60.379 9.799 0.087 1.00 0.47 N ATOM 442 CA LEU A 114 59.100 9.676 0.850 1.00 0.47 C ATOM 443 C LEU A 114 57.887 9.863 -0.071 1.00 0.50 C ATOM 444 O LEU A 114 56.812 9.365 0.201 1.00 0.52 O ATOM 445 CB LEU A 114 59.156 10.789 1.895 1.00 0.57 C ATOM 446 CG LEU A 114 58.365 10.362 3.132 1.00 0.68 C ATOM 447 CD1 LEU A 114 58.269 11.534 4.111 1.00 1.36 C ATOM 448 CD2 LEU A 114 56.958 9.934 2.710 1.00 1.57 C ATOM 0 H LEU A 114 61.122 10.307 0.567 1.00 0.47 H new ATOM 0 HA LEU A 114 58.992 8.690 1.301 1.00 0.47 H new ATOM 0 HB2 LEU A 114 60.191 10.998 2.165 1.00 0.57 H new ATOM 0 HB3 LEU A 114 58.742 11.710 1.485 1.00 0.57 H new ATOM 0 HG LEU A 114 58.872 9.528 3.617 1.00 0.68 H new ATOM 0 HD11 LEU A 114 57.705 11.227 4.992 1.00 1.36 H new ATOM 0 HD12 LEU A 114 59.271 11.841 4.411 1.00 1.36 H new ATOM 0 HD13 LEU A 114 57.763 12.370 3.629 1.00 1.36 H new ATOM 0 HD21 LEU A 114 56.391 9.629 3.590 1.00 1.57 H new ATOM 0 HD22 LEU A 114 56.453 10.770 2.225 1.00 1.57 H new ATOM 0 HD23 LEU A 114 57.025 9.098 2.014 1.00 1.57 H new ATOM 460 N GLU A 115 58.043 10.578 -1.151 1.00 0.56 N ATOM 461 CA GLU A 115 56.891 10.794 -2.075 1.00 0.64 C ATOM 462 C GLU A 115 56.479 9.478 -2.744 1.00 0.56 C ATOM 463 O GLU A 115 55.318 9.118 -2.764 1.00 0.61 O ATOM 464 CB GLU A 115 57.403 11.790 -3.116 1.00 0.77 C ATOM 465 CG GLU A 115 56.808 13.171 -2.835 1.00 1.54 C ATOM 466 CD GLU A 115 57.870 14.245 -3.077 1.00 2.04 C ATOM 467 OE1 GLU A 115 58.693 14.445 -2.199 1.00 2.67 O ATOM 468 OE2 GLU A 115 57.841 14.851 -4.136 1.00 2.45 O ATOM 0 H GLU A 115 58.916 11.022 -1.434 1.00 0.56 H new ATOM 0 HA GLU A 115 56.010 11.164 -1.551 1.00 0.64 H new ATOM 0 HB2 GLU A 115 58.492 11.838 -3.085 1.00 0.77 H new ATOM 0 HB3 GLU A 115 57.127 11.460 -4.118 1.00 0.77 H new ATOM 0 HG2 GLU A 115 55.946 13.345 -3.480 1.00 1.54 H new ATOM 0 HG3 GLU A 115 56.452 13.222 -1.806 1.00 1.54 H new ATOM 475 N GLU A 116 57.418 8.760 -3.296 1.00 0.49 N ATOM 476 CA GLU A 116 57.079 7.472 -3.969 1.00 0.45 C ATOM 477 C GLU A 116 56.854 6.369 -2.930 1.00 0.43 C ATOM 478 O GLU A 116 56.039 5.487 -3.115 1.00 0.51 O ATOM 479 CB GLU A 116 58.293 7.152 -4.842 1.00 0.42 C ATOM 480 CG GLU A 116 58.577 8.335 -5.772 1.00 0.94 C ATOM 481 CD GLU A 116 60.073 8.397 -6.082 1.00 0.85 C ATOM 482 OE1 GLU A 116 60.768 7.452 -5.750 1.00 1.43 O ATOM 483 OE2 GLU A 116 60.500 9.391 -6.648 1.00 1.28 O ATOM 0 H GLU A 116 58.407 9.009 -3.311 1.00 0.49 H new ATOM 0 HA GLU A 116 56.162 7.541 -4.555 1.00 0.45 H new ATOM 0 HB2 GLU A 116 59.162 6.951 -4.216 1.00 0.42 H new ATOM 0 HB3 GLU A 116 58.107 6.252 -5.427 1.00 0.42 H new ATOM 0 HG2 GLU A 116 58.008 8.229 -6.696 1.00 0.94 H new ATOM 0 HG3 GLU A 116 58.254 9.265 -5.303 1.00 0.94 H new ATOM 490 N LEU A 117 57.565 6.414 -1.836 1.00 0.37 N ATOM 491 CA LEU A 117 57.384 5.372 -0.787 1.00 0.42 C ATOM 492 C LEU A 117 55.912 5.302 -0.384 1.00 0.50 C ATOM 493 O LEU A 117 55.408 4.264 -0.004 1.00 0.58 O ATOM 494 CB LEU A 117 58.245 5.837 0.389 1.00 0.43 C ATOM 495 CG LEU A 117 58.871 4.624 1.077 1.00 0.61 C ATOM 496 CD1 LEU A 117 60.254 4.355 0.482 1.00 0.90 C ATOM 497 CD2 LEU A 117 59.008 4.904 2.576 1.00 1.53 C ATOM 0 H LEU A 117 58.263 7.127 -1.624 1.00 0.37 H new ATOM 0 HA LEU A 117 57.674 4.378 -1.128 1.00 0.42 H new ATOM 0 HB2 LEU A 117 59.026 6.511 0.037 1.00 0.43 H new ATOM 0 HB3 LEU A 117 57.637 6.397 1.099 1.00 0.43 H new ATOM 0 HG LEU A 117 58.235 3.752 0.925 1.00 0.61 H new ATOM 0 HD11 LEU A 117 60.699 3.490 0.973 1.00 0.90 H new ATOM 0 HD12 LEU A 117 60.159 4.157 -0.586 1.00 0.90 H new ATOM 0 HD13 LEU A 117 60.891 5.226 0.634 1.00 0.90 H new ATOM 0 HD21 LEU A 117 59.454 4.040 3.068 1.00 1.53 H new ATOM 0 HD22 LEU A 117 59.644 5.776 2.727 1.00 1.53 H new ATOM 0 HD23 LEU A 117 58.023 5.096 3.002 1.00 1.53 H new ATOM 509 N LYS A 118 55.217 6.403 -0.471 1.00 0.52 N ATOM 510 CA LYS A 118 53.775 6.403 -0.102 1.00 0.63 C ATOM 511 C LYS A 118 52.987 5.544 -1.093 1.00 0.71 C ATOM 512 O LYS A 118 52.111 4.791 -0.719 1.00 0.83 O ATOM 513 CB LYS A 118 53.342 7.867 -0.195 1.00 0.68 C ATOM 514 CG LYS A 118 53.796 8.616 1.059 1.00 1.05 C ATOM 515 CD LYS A 118 53.708 10.123 0.813 1.00 1.33 C ATOM 516 CE LYS A 118 52.497 10.692 1.555 1.00 1.49 C ATOM 517 NZ LYS A 118 51.870 11.642 0.595 1.00 1.82 N ATOM 0 H LYS A 118 55.586 7.302 -0.782 1.00 0.52 H new ATOM 0 HA LYS A 118 53.598 5.992 0.892 1.00 0.63 H new ATOM 0 HB2 LYS A 118 53.773 8.329 -1.083 1.00 0.68 H new ATOM 0 HB3 LYS A 118 52.259 7.931 -0.297 1.00 0.68 H new ATOM 0 HG2 LYS A 118 53.171 8.338 1.908 1.00 1.05 H new ATOM 0 HG3 LYS A 118 54.819 8.337 1.312 1.00 1.05 H new ATOM 0 HD2 LYS A 118 54.620 10.612 1.155 1.00 1.33 H new ATOM 0 HD3 LYS A 118 53.621 10.323 -0.255 1.00 1.33 H new ATOM 0 HE2 LYS A 118 51.802 9.902 1.840 1.00 1.49 H new ATOM 0 HE3 LYS A 118 52.798 11.198 2.472 1.00 1.49 H new ATOM 0 HZ1 LYS A 118 51.031 12.074 1.032 1.00 1.82 H new ATOM 0 HZ2 LYS A 118 52.553 12.386 0.347 1.00 1.82 H new ATOM 0 HZ3 LYS A 118 51.588 11.130 -0.265 1.00 1.82 H new ATOM 531 N ILE A 119 53.299 5.650 -2.355 1.00 0.72 N ATOM 532 CA ILE A 119 52.577 4.839 -3.376 1.00 0.84 C ATOM 533 C ILE A 119 52.917 3.357 -3.205 1.00 0.86 C ATOM 534 O ILE A 119 52.090 2.491 -3.410 1.00 0.96 O ATOM 535 CB ILE A 119 53.085 5.356 -4.719 1.00 0.93 C ATOM 536 CG1 ILE A 119 52.535 6.763 -4.955 1.00 1.00 C ATOM 537 CG2 ILE A 119 52.608 4.428 -5.838 1.00 1.06 C ATOM 538 CD1 ILE A 119 53.088 7.310 -6.269 1.00 1.08 C ATOM 0 H ILE A 119 54.024 6.265 -2.724 1.00 0.72 H new ATOM 0 HA ILE A 119 51.494 4.928 -3.289 1.00 0.84 H new ATOM 0 HB ILE A 119 54.175 5.383 -4.713 1.00 0.93 H new ATOM 0 HG12 ILE A 119 51.446 6.739 -4.988 1.00 1.00 H new ATOM 0 HG13 ILE A 119 52.814 7.418 -4.130 1.00 1.00 H new ATOM 0 HG21 ILE A 119 52.971 4.798 -6.797 1.00 1.06 H new ATOM 0 HG22 ILE A 119 52.994 3.423 -5.667 1.00 1.06 H new ATOM 0 HG23 ILE A 119 51.518 4.401 -5.849 1.00 1.06 H new ATOM 0 HD11 ILE A 119 52.697 8.313 -6.439 1.00 1.08 H new ATOM 0 HD12 ILE A 119 54.176 7.349 -6.218 1.00 1.08 H new ATOM 0 HD13 ILE A 119 52.786 6.659 -7.090 1.00 1.08 H new ATOM 550 N MET A 120 54.131 3.060 -2.827 1.00 0.82 N ATOM 551 CA MET A 120 54.528 1.636 -2.638 1.00 0.92 C ATOM 552 C MET A 120 53.589 0.960 -1.633 1.00 0.92 C ATOM 553 O MET A 120 53.288 -0.213 -1.741 1.00 1.01 O ATOM 554 CB MET A 120 55.961 1.701 -2.096 1.00 0.96 C ATOM 555 CG MET A 120 56.295 0.408 -1.346 1.00 1.50 C ATOM 556 SD MET A 120 58.071 0.078 -1.472 1.00 2.13 S ATOM 557 CE MET A 120 58.643 1.699 -0.910 1.00 2.73 C ATOM 0 H MET A 120 54.865 3.743 -2.641 1.00 0.82 H new ATOM 0 HA MET A 120 54.470 1.055 -3.559 1.00 0.92 H new ATOM 0 HB2 MET A 120 56.663 1.847 -2.917 1.00 0.96 H new ATOM 0 HB3 MET A 120 56.068 2.556 -1.429 1.00 0.96 H new ATOM 0 HG2 MET A 120 56.004 0.497 -0.299 1.00 1.50 H new ATOM 0 HG3 MET A 120 55.729 -0.424 -1.765 1.00 1.50 H new ATOM 0 HE1 MET A 120 59.629 1.600 -0.457 1.00 2.73 H new ATOM 0 HE2 MET A 120 58.701 2.379 -1.760 1.00 2.73 H new ATOM 0 HE3 MET A 120 57.944 2.097 -0.174 1.00 2.73 H new ATOM 567 N LEU A 121 53.124 1.692 -0.659 1.00 0.88 N ATOM 568 CA LEU A 121 52.202 1.091 0.352 1.00 0.96 C ATOM 569 C LEU A 121 50.831 0.851 -0.276 1.00 0.99 C ATOM 570 O LEU A 121 50.147 -0.099 0.046 1.00 1.12 O ATOM 571 CB LEU A 121 52.078 2.120 1.476 1.00 0.98 C ATOM 572 CG LEU A 121 53.417 2.831 1.715 1.00 1.19 C ATOM 573 CD1 LEU A 121 53.407 3.481 3.100 1.00 1.51 C ATOM 574 CD2 LEU A 121 54.564 1.819 1.640 1.00 1.81 C ATOM 0 H LEU A 121 53.341 2.679 -0.517 1.00 0.88 H new ATOM 0 HA LEU A 121 52.579 0.136 0.719 1.00 0.96 H new ATOM 0 HB2 LEU A 121 51.312 2.853 1.221 1.00 0.98 H new ATOM 0 HB3 LEU A 121 51.754 1.627 2.393 1.00 0.98 H new ATOM 0 HG LEU A 121 53.559 3.594 0.950 1.00 1.19 H new ATOM 0 HD11 LEU A 121 54.357 3.986 3.272 1.00 1.51 H new ATOM 0 HD12 LEU A 121 52.595 4.206 3.156 1.00 1.51 H new ATOM 0 HD13 LEU A 121 53.261 2.714 3.861 1.00 1.51 H new ATOM 0 HD21 LEU A 121 55.512 2.330 1.810 1.00 1.81 H new ATOM 0 HD22 LEU A 121 54.423 1.052 2.402 1.00 1.81 H new ATOM 0 HD23 LEU A 121 54.575 1.354 0.654 1.00 1.81 H new ATOM 586 N GLN A 122 50.423 1.709 -1.170 1.00 0.95 N ATOM 587 CA GLN A 122 49.097 1.527 -1.820 1.00 1.05 C ATOM 588 C GLN A 122 49.115 0.243 -2.646 1.00 1.12 C ATOM 589 O GLN A 122 48.102 -0.397 -2.846 1.00 1.24 O ATOM 590 CB GLN A 122 48.920 2.750 -2.720 1.00 1.07 C ATOM 591 CG GLN A 122 48.323 3.897 -1.903 1.00 1.49 C ATOM 592 CD GLN A 122 49.206 5.138 -2.043 1.00 1.51 C ATOM 593 OE1 GLN A 122 49.922 5.494 -1.129 1.00 2.24 O ATOM 594 NE2 GLN A 122 49.185 5.817 -3.157 1.00 1.52 N ATOM 0 H GLN A 122 50.950 2.526 -1.477 1.00 0.95 H new ATOM 0 HA GLN A 122 48.281 1.443 -1.102 1.00 1.05 H new ATOM 0 HB2 GLN A 122 49.880 3.049 -3.140 1.00 1.07 H new ATOM 0 HB3 GLN A 122 48.267 2.507 -3.558 1.00 1.07 H new ATOM 0 HG2 GLN A 122 47.313 4.116 -2.248 1.00 1.49 H new ATOM 0 HG3 GLN A 122 48.246 3.609 -0.855 1.00 1.49 H new ATOM 0 HE21 GLN A 122 48.584 5.518 -3.925 1.00 1.52 H new ATOM 0 HE22 GLN A 122 49.770 6.646 -3.260 1.00 1.52 H new ATOM 603 N ALA A 123 50.270 -0.145 -3.114 1.00 1.11 N ATOM 604 CA ALA A 123 50.366 -1.395 -3.912 1.00 1.26 C ATOM 605 C ALA A 123 50.060 -2.594 -3.014 1.00 1.39 C ATOM 606 O ALA A 123 49.697 -3.656 -3.478 1.00 1.55 O ATOM 607 CB ALA A 123 51.813 -1.445 -4.405 1.00 1.31 C ATOM 0 H ALA A 123 51.150 0.352 -2.977 1.00 1.11 H new ATOM 0 HA ALA A 123 49.660 -1.420 -4.742 1.00 1.26 H new ATOM 0 HB1 ALA A 123 51.962 -2.343 -5.004 1.00 1.31 H new ATOM 0 HB2 ALA A 123 52.021 -0.565 -5.013 1.00 1.31 H new ATOM 0 HB3 ALA A 123 52.488 -1.463 -3.550 1.00 1.31 H new ATOM 682 N THR A 129 47.617 7.621 6.701 1.00 1.18 N ATOM 683 CA THR A 129 47.845 9.037 6.295 1.00 1.21 C ATOM 684 C THR A 129 49.336 9.374 6.368 1.00 1.10 C ATOM 685 O THR A 129 50.173 8.505 6.506 1.00 1.04 O ATOM 686 CB THR A 129 47.056 9.870 7.305 1.00 1.37 C ATOM 687 OG1 THR A 129 47.694 9.801 8.573 1.00 1.63 O ATOM 688 CG2 THR A 129 45.632 9.324 7.418 1.00 1.63 C ATOM 0 HA THR A 129 47.526 9.230 5.271 1.00 1.21 H new ATOM 0 HB THR A 129 47.019 10.907 6.972 1.00 1.37 H new ATOM 0 HG1 THR A 129 48.074 8.906 8.700 1.00 1.63 H new ATOM 0 HG21 THR A 129 45.070 9.919 8.138 1.00 1.63 H new ATOM 0 HG22 THR A 129 45.144 9.377 6.445 1.00 1.63 H new ATOM 0 HG23 THR A 129 45.665 8.287 7.751 1.00 1.63 H new ATOM 696 N GLU A 130 49.673 10.631 6.277 1.00 1.13 N ATOM 697 CA GLU A 130 51.110 11.025 6.342 1.00 1.09 C ATOM 698 C GLU A 130 51.639 10.860 7.769 1.00 1.03 C ATOM 699 O GLU A 130 52.805 11.074 8.038 1.00 0.98 O ATOM 700 CB GLU A 130 51.135 12.496 5.928 1.00 1.23 C ATOM 701 CG GLU A 130 52.478 12.819 5.272 1.00 1.68 C ATOM 702 CD GLU A 130 52.238 13.533 3.940 1.00 2.20 C ATOM 703 OE1 GLU A 130 51.102 13.897 3.683 1.00 2.77 O ATOM 704 OE2 GLU A 130 53.193 13.702 3.200 1.00 2.66 O ATOM 0 H GLU A 130 49.016 11.403 6.160 1.00 1.13 H new ATOM 0 HA GLU A 130 51.737 10.409 5.698 1.00 1.09 H new ATOM 0 HB2 GLU A 130 50.320 12.703 5.234 1.00 1.23 H new ATOM 0 HB3 GLU A 130 50.981 13.133 6.799 1.00 1.23 H new ATOM 0 HG2 GLU A 130 53.075 13.449 5.932 1.00 1.68 H new ATOM 0 HG3 GLU A 130 53.044 11.902 5.108 1.00 1.68 H new ATOM 711 N ASP A 131 50.790 10.484 8.686 1.00 1.08 N ATOM 712 CA ASP A 131 51.243 10.308 10.096 1.00 1.10 C ATOM 713 C ASP A 131 52.031 9.003 10.240 1.00 0.95 C ATOM 714 O ASP A 131 52.994 8.927 10.977 1.00 0.88 O ATOM 715 CB ASP A 131 49.956 10.253 10.920 1.00 1.27 C ATOM 716 CG ASP A 131 50.265 9.711 12.316 1.00 1.65 C ATOM 717 OD1 ASP A 131 50.420 8.507 12.442 1.00 2.09 O ATOM 718 OD2 ASP A 131 50.342 10.508 13.236 1.00 2.28 O ATOM 0 H ASP A 131 49.802 10.291 8.520 1.00 1.08 H new ATOM 0 HA ASP A 131 51.902 11.113 10.422 1.00 1.10 H new ATOM 0 HB2 ASP A 131 49.517 11.248 10.994 1.00 1.27 H new ATOM 0 HB3 ASP A 131 49.222 9.616 10.426 1.00 1.27 H new ATOM 723 N ASP A 132 51.628 7.974 9.546 1.00 0.96 N ATOM 724 CA ASP A 132 52.354 6.676 9.646 1.00 0.88 C ATOM 725 C ASP A 132 53.445 6.593 8.574 1.00 0.76 C ATOM 726 O ASP A 132 54.538 6.126 8.823 1.00 0.72 O ATOM 727 CB ASP A 132 51.287 5.607 9.410 1.00 0.99 C ATOM 728 CG ASP A 132 51.175 4.713 10.646 1.00 1.31 C ATOM 729 OD1 ASP A 132 51.342 5.226 11.741 1.00 1.70 O ATOM 730 OD2 ASP A 132 50.924 3.531 10.478 1.00 1.95 O ATOM 0 H ASP A 132 50.827 7.976 8.914 1.00 0.96 H new ATOM 0 HA ASP A 132 52.848 6.553 10.610 1.00 0.88 H new ATOM 0 HB2 ASP A 132 50.326 6.078 9.201 1.00 0.99 H new ATOM 0 HB3 ASP A 132 51.545 5.007 8.537 1.00 0.99 H new ATOM 735 N ILE A 133 53.155 7.041 7.383 1.00 0.78 N ATOM 736 CA ILE A 133 54.175 6.988 6.296 1.00 0.73 C ATOM 737 C ILE A 133 55.364 7.889 6.640 1.00 0.66 C ATOM 738 O ILE A 133 56.506 7.541 6.412 1.00 0.63 O ATOM 739 CB ILE A 133 53.456 7.505 5.051 1.00 0.84 C ATOM 740 CG1 ILE A 133 52.275 6.587 4.726 1.00 0.91 C ATOM 741 CG2 ILE A 133 54.428 7.522 3.870 1.00 1.14 C ATOM 742 CD1 ILE A 133 51.559 7.100 3.475 1.00 0.96 C ATOM 0 H ILE A 133 52.256 7.442 7.115 1.00 0.78 H new ATOM 0 HA ILE A 133 54.570 5.982 6.151 1.00 0.73 H new ATOM 0 HB ILE A 133 53.091 8.515 5.236 1.00 0.84 H new ATOM 0 HG12 ILE A 133 52.626 5.568 4.565 1.00 0.91 H new ATOM 0 HG13 ILE A 133 51.583 6.556 5.567 1.00 0.91 H new ATOM 0 HG21 ILE A 133 53.915 7.891 2.982 1.00 1.14 H new ATOM 0 HG22 ILE A 133 55.269 8.175 4.101 1.00 1.14 H new ATOM 0 HG23 ILE A 133 54.793 6.512 3.685 1.00 1.14 H new ATOM 0 HD11 ILE A 133 50.718 6.446 3.243 1.00 0.96 H new ATOM 0 HD12 ILE A 133 51.194 8.111 3.654 1.00 0.96 H new ATOM 0 HD13 ILE A 133 52.254 7.108 2.635 1.00 0.96 H new ATOM 754 N GLU A 134 55.106 9.046 7.187 1.00 0.73 N ATOM 755 CA GLU A 134 56.222 9.968 7.544 1.00 0.77 C ATOM 756 C GLU A 134 57.276 9.225 8.368 1.00 0.70 C ATOM 757 O GLU A 134 58.460 9.317 8.109 1.00 0.68 O ATOM 758 CB GLU A 134 55.570 11.073 8.376 1.00 0.96 C ATOM 759 CG GLU A 134 55.149 12.224 7.459 1.00 0.95 C ATOM 760 CD GLU A 134 54.613 13.382 8.303 1.00 1.60 C ATOM 761 OE1 GLU A 134 53.507 13.262 8.804 1.00 2.07 O ATOM 762 OE2 GLU A 134 55.318 14.369 8.435 1.00 2.27 O ATOM 0 H GLU A 134 54.171 9.393 7.402 1.00 0.73 H new ATOM 0 HA GLU A 134 56.729 10.366 6.665 1.00 0.77 H new ATOM 0 HB2 GLU A 134 54.702 10.680 8.905 1.00 0.96 H new ATOM 0 HB3 GLU A 134 56.268 11.433 9.132 1.00 0.96 H new ATOM 0 HG2 GLU A 134 55.999 12.558 6.863 1.00 0.95 H new ATOM 0 HG3 GLU A 134 54.384 11.885 6.761 1.00 0.95 H new ATOM 769 N GLU A 135 56.856 8.489 9.359 1.00 0.74 N ATOM 770 CA GLU A 135 57.834 7.741 10.199 1.00 0.76 C ATOM 771 C GLU A 135 58.367 6.524 9.437 1.00 0.66 C ATOM 772 O GLU A 135 59.479 6.084 9.650 1.00 0.74 O ATOM 773 CB GLU A 135 57.042 7.300 11.430 1.00 0.88 C ATOM 774 CG GLU A 135 57.205 8.339 12.541 1.00 1.20 C ATOM 775 CD GLU A 135 55.900 9.121 12.704 1.00 1.48 C ATOM 776 OE1 GLU A 135 55.253 9.370 11.700 1.00 1.95 O ATOM 777 OE2 GLU A 135 55.569 9.456 13.829 1.00 2.16 O ATOM 0 H GLU A 135 55.878 8.373 9.624 1.00 0.74 H new ATOM 0 HA GLU A 135 58.698 8.349 10.467 1.00 0.76 H new ATOM 0 HB2 GLU A 135 55.988 7.186 11.176 1.00 0.88 H new ATOM 0 HB3 GLU A 135 57.394 6.327 11.773 1.00 0.88 H new ATOM 0 HG2 GLU A 135 57.466 7.847 13.478 1.00 1.20 H new ATOM 0 HG3 GLU A 135 58.022 9.020 12.300 1.00 1.20 H new ATOM 784 N LEU A 136 57.581 5.977 8.549 1.00 0.62 N ATOM 785 CA LEU A 136 58.044 4.790 7.774 1.00 0.66 C ATOM 786 C LEU A 136 59.371 5.098 7.077 1.00 0.61 C ATOM 787 O LEU A 136 60.300 4.315 7.113 1.00 0.70 O ATOM 788 CB LEU A 136 56.945 4.536 6.742 1.00 0.77 C ATOM 789 CG LEU A 136 57.269 3.266 5.955 1.00 0.86 C ATOM 790 CD1 LEU A 136 57.361 2.080 6.917 1.00 1.63 C ATOM 791 CD2 LEU A 136 56.163 3.005 4.931 1.00 1.38 C ATOM 0 H LEU A 136 56.639 6.300 8.327 1.00 0.62 H new ATOM 0 HA LEU A 136 58.213 3.922 8.412 1.00 0.66 H new ATOM 0 HB2 LEU A 136 55.981 4.432 7.240 1.00 0.77 H new ATOM 0 HB3 LEU A 136 56.864 5.386 6.064 1.00 0.77 H new ATOM 0 HG LEU A 136 58.221 3.391 5.439 1.00 0.86 H new ATOM 0 HD11 LEU A 136 57.592 1.174 6.357 1.00 1.63 H new ATOM 0 HD12 LEU A 136 58.148 2.265 7.648 1.00 1.63 H new ATOM 0 HD13 LEU A 136 56.409 1.955 7.432 1.00 1.63 H new ATOM 0 HD21 LEU A 136 56.393 2.100 4.369 1.00 1.38 H new ATOM 0 HD22 LEU A 136 55.211 2.879 5.447 1.00 1.38 H new ATOM 0 HD23 LEU A 136 56.095 3.850 4.245 1.00 1.38 H new ATOM 803 N MET A 137 59.467 6.234 6.442 1.00 0.55 N ATOM 804 CA MET A 137 60.734 6.592 5.742 1.00 0.59 C ATOM 805 C MET A 137 61.802 7.001 6.761 1.00 0.65 C ATOM 806 O MET A 137 62.979 6.763 6.571 1.00 0.81 O ATOM 807 CB MET A 137 60.366 7.775 4.845 1.00 0.60 C ATOM 808 CG MET A 137 61.640 8.486 4.384 1.00 0.96 C ATOM 809 SD MET A 137 62.686 7.322 3.475 1.00 1.23 S ATOM 810 CE MET A 137 61.587 7.092 2.056 1.00 1.35 C ATOM 0 H MET A 137 58.724 6.929 6.377 1.00 0.55 H new ATOM 0 HA MET A 137 61.143 5.759 5.171 1.00 0.59 H new ATOM 0 HB2 MET A 137 59.799 7.427 3.982 1.00 0.60 H new ATOM 0 HB3 MET A 137 59.726 8.470 5.388 1.00 0.60 H new ATOM 0 HG2 MET A 137 61.386 9.335 3.749 1.00 0.96 H new ATOM 0 HG3 MET A 137 62.180 8.881 5.244 1.00 0.96 H new ATOM 0 HE1 MET A 137 61.225 6.064 2.039 1.00 1.35 H new ATOM 0 HE2 MET A 137 60.741 7.774 2.137 1.00 1.35 H new ATOM 0 HE3 MET A 137 62.133 7.299 1.136 1.00 1.35 H new ATOM 820 N LYS A 138 61.400 7.615 7.839 1.00 0.62 N ATOM 821 CA LYS A 138 62.392 8.040 8.869 1.00 0.79 C ATOM 822 C LYS A 138 63.302 6.868 9.248 1.00 0.86 C ATOM 823 O LYS A 138 64.448 6.806 8.848 1.00 1.16 O ATOM 824 CB LYS A 138 61.551 8.477 10.069 1.00 0.87 C ATOM 825 CG LYS A 138 61.090 9.923 9.871 1.00 1.55 C ATOM 826 CD LYS A 138 62.060 10.869 10.582 1.00 2.07 C ATOM 827 CE LYS A 138 62.012 12.246 9.917 1.00 2.85 C ATOM 828 NZ LYS A 138 62.294 13.212 11.014 1.00 3.36 N ATOM 0 H LYS A 138 60.429 7.841 8.052 1.00 0.62 H new ATOM 0 HA LYS A 138 63.041 8.839 8.512 1.00 0.79 H new ATOM 0 HB2 LYS A 138 60.688 7.821 10.180 1.00 0.87 H new ATOM 0 HB3 LYS A 138 62.135 8.393 10.986 1.00 0.87 H new ATOM 0 HG2 LYS A 138 61.047 10.160 8.808 1.00 1.55 H new ATOM 0 HG3 LYS A 138 60.083 10.052 10.267 1.00 1.55 H new ATOM 0 HD2 LYS A 138 61.795 10.953 11.636 1.00 2.07 H new ATOM 0 HD3 LYS A 138 63.073 10.468 10.539 1.00 2.07 H new ATOM 0 HE2 LYS A 138 62.752 12.326 9.121 1.00 2.85 H new ATOM 0 HE3 LYS A 138 61.037 12.433 9.467 1.00 2.85 H new ATOM 0 HZ1 LYS A 138 62.278 14.181 10.636 1.00 3.36 H new ATOM 0 HZ2 LYS A 138 61.570 13.118 11.754 1.00 3.36 H new ATOM 0 HZ3 LYS A 138 63.231 13.014 11.419 1.00 3.36 H new ATOM 842 N ASP A 139 62.804 5.940 10.019 1.00 0.71 N ATOM 843 CA ASP A 139 63.646 4.776 10.423 1.00 0.85 C ATOM 844 C ASP A 139 63.980 3.915 9.201 1.00 0.85 C ATOM 845 O ASP A 139 64.810 3.030 9.263 1.00 1.02 O ATOM 846 CB ASP A 139 62.790 3.992 11.421 1.00 0.97 C ATOM 847 CG ASP A 139 61.699 3.223 10.673 1.00 1.50 C ATOM 848 OD1 ASP A 139 60.809 3.864 10.139 1.00 2.33 O ATOM 849 OD2 ASP A 139 61.773 2.005 10.646 1.00 1.80 O ATOM 0 H ASP A 139 61.852 5.937 10.386 1.00 0.71 H new ATOM 0 HA ASP A 139 64.596 5.085 10.860 1.00 0.85 H new ATOM 0 HB2 ASP A 139 63.415 3.299 11.985 1.00 0.97 H new ATOM 0 HB3 ASP A 139 62.339 4.674 12.142 1.00 0.97 H new ATOM 854 N GLY A 140 63.341 4.167 8.091 1.00 0.81 N ATOM 855 CA GLY A 140 63.624 3.362 6.869 1.00 0.86 C ATOM 856 C GLY A 140 64.935 3.833 6.236 1.00 0.77 C ATOM 857 O GLY A 140 65.606 3.090 5.548 1.00 0.86 O ATOM 0 H GLY A 140 62.636 4.895 7.978 1.00 0.81 H new ATOM 0 HA2 GLY A 140 63.692 2.305 7.125 1.00 0.86 H new ATOM 0 HA3 GLY A 140 62.806 3.465 6.156 1.00 0.86 H new ATOM 861 N ASP A 141 65.305 5.064 6.463 1.00 0.70 N ATOM 862 CA ASP A 141 66.573 5.582 5.873 1.00 0.66 C ATOM 863 C ASP A 141 67.760 5.214 6.767 1.00 0.74 C ATOM 864 O ASP A 141 67.836 5.617 7.910 1.00 0.87 O ATOM 865 CB ASP A 141 66.393 7.099 5.819 1.00 0.66 C ATOM 866 CG ASP A 141 67.011 7.640 4.528 1.00 0.76 C ATOM 867 OD1 ASP A 141 67.968 7.047 4.059 1.00 0.92 O ATOM 868 OD2 ASP A 141 66.516 8.638 4.030 1.00 0.83 O ATOM 0 H ASP A 141 64.785 5.733 7.031 1.00 0.70 H new ATOM 0 HA ASP A 141 66.774 5.160 4.888 1.00 0.66 H new ATOM 0 HB2 ASP A 141 65.334 7.352 5.862 1.00 0.66 H new ATOM 0 HB3 ASP A 141 66.867 7.563 6.684 1.00 0.66 H new ATOM 873 N LYS A 142 68.687 4.452 6.255 1.00 0.75 N ATOM 874 CA LYS A 142 69.866 4.061 7.073 1.00 0.87 C ATOM 875 C LYS A 142 70.643 5.305 7.507 1.00 0.89 C ATOM 876 O LYS A 142 71.330 5.302 8.509 1.00 1.05 O ATOM 877 CB LYS A 142 70.712 3.193 6.144 1.00 0.89 C ATOM 878 CG LYS A 142 71.854 2.565 6.938 1.00 1.24 C ATOM 879 CD LYS A 142 71.508 1.113 7.270 1.00 1.26 C ATOM 880 CE LYS A 142 72.611 0.511 8.143 1.00 1.55 C ATOM 881 NZ LYS A 142 72.775 1.471 9.270 1.00 1.99 N ATOM 0 H LYS A 142 68.677 4.084 5.304 1.00 0.75 H new ATOM 0 HA LYS A 142 69.586 3.532 7.984 1.00 0.87 H new ATOM 0 HB2 LYS A 142 70.096 2.414 5.694 1.00 0.89 H new ATOM 0 HB3 LYS A 142 71.110 3.796 5.328 1.00 0.89 H new ATOM 0 HG2 LYS A 142 72.778 2.607 6.361 1.00 1.24 H new ATOM 0 HG3 LYS A 142 72.025 3.128 7.856 1.00 1.24 H new ATOM 0 HD2 LYS A 142 70.552 1.066 7.791 1.00 1.26 H new ATOM 0 HD3 LYS A 142 71.400 0.535 6.352 1.00 1.26 H new ATOM 0 HE2 LYS A 142 72.333 -0.479 8.505 1.00 1.55 H new ATOM 0 HE3 LYS A 142 73.539 0.396 7.583 1.00 1.55 H new ATOM 0 HZ1 LYS A 142 73.133 0.967 10.106 1.00 1.99 H new ATOM 0 HZ2 LYS A 142 73.451 2.213 8.998 1.00 1.99 H new ATOM 0 HZ3 LYS A 142 71.856 1.904 9.494 1.00 1.99 H new ATOM 895 N ASN A 143 70.539 6.370 6.761 1.00 0.85 N ATOM 896 CA ASN A 143 71.271 7.615 7.133 1.00 1.05 C ATOM 897 C ASN A 143 70.350 8.831 7.000 1.00 1.07 C ATOM 898 O ASN A 143 70.789 9.963 7.052 1.00 1.56 O ATOM 899 CB ASN A 143 72.434 7.707 6.142 1.00 1.08 C ATOM 900 CG ASN A 143 71.938 7.373 4.734 1.00 1.05 C ATOM 901 OD1 ASN A 143 70.833 7.720 4.368 1.00 0.98 O ATOM 902 ND2 ASN A 143 72.715 6.709 3.923 1.00 1.48 N ATOM 0 H ASN A 143 69.979 6.433 5.910 1.00 0.85 H new ATOM 0 HA ASN A 143 71.620 7.595 8.165 1.00 1.05 H new ATOM 0 HB2 ASN A 143 72.861 8.710 6.159 1.00 1.08 H new ATOM 0 HB3 ASN A 143 73.227 7.018 6.432 1.00 1.08 H new ATOM 0 HD21 ASN A 143 72.394 6.481 2.982 1.00 1.48 H new ATOM 0 HD22 ASN A 143 73.643 6.418 4.230 1.00 1.48 H new ATOM 909 N ASN A 144 69.076 8.606 6.831 1.00 0.78 N ATOM 910 CA ASN A 144 68.127 9.749 6.698 1.00 0.82 C ATOM 911 C ASN A 144 68.719 10.826 5.784 1.00 0.82 C ATOM 912 O ASN A 144 69.212 11.838 6.241 1.00 0.92 O ATOM 913 CB ASN A 144 67.956 10.289 8.119 1.00 0.95 C ATOM 914 CG ASN A 144 66.872 9.490 8.844 1.00 1.47 C ATOM 915 OD1 ASN A 144 67.046 8.212 9.047 1.00 2.28 O flip ATOM 916 ND2 ASN A 144 65.858 10.034 9.233 1.00 1.93 N flip ATOM 0 H ASN A 144 68.650 7.680 6.779 1.00 0.78 H new ATOM 0 HA ASN A 144 67.177 9.447 6.258 1.00 0.82 H new ATOM 0 HB2 ASN A 144 68.899 10.218 8.662 1.00 0.95 H new ATOM 0 HB3 ASN A 144 67.685 11.344 8.088 1.00 0.95 H new ATOM 0 HD21 ASN A 144 65.722 11.032 9.075 1.00 1.93 H new ATOM 0 HD22 ASN A 144 65.143 9.492 9.718 1.00 1.93 H new ATOM 923 N ASP A 145 68.674 10.618 4.497 1.00 0.75 N ATOM 924 CA ASP A 145 69.234 11.633 3.559 1.00 0.78 C ATOM 925 C ASP A 145 68.121 12.218 2.686 1.00 0.74 C ATOM 926 O ASP A 145 68.285 13.246 2.060 1.00 0.81 O ATOM 927 CB ASP A 145 70.239 10.867 2.699 1.00 0.76 C ATOM 928 CG ASP A 145 71.365 10.331 3.584 1.00 1.12 C ATOM 929 OD1 ASP A 145 71.545 10.863 4.667 1.00 1.85 O ATOM 930 OD2 ASP A 145 72.028 9.398 3.162 1.00 1.72 O ATOM 0 H ASP A 145 68.274 9.791 4.054 1.00 0.75 H new ATOM 0 HA ASP A 145 69.698 12.467 4.085 1.00 0.78 H new ATOM 0 HB2 ASP A 145 69.742 10.043 2.187 1.00 0.76 H new ATOM 0 HB3 ASP A 145 70.648 11.521 1.929 1.00 0.76 H new ATOM 935 N GLY A 146 66.990 11.569 2.640 1.00 0.69 N ATOM 936 CA GLY A 146 65.868 12.085 1.806 1.00 0.70 C ATOM 937 C GLY A 146 65.401 10.989 0.849 1.00 0.58 C ATOM 938 O GLY A 146 64.252 10.943 0.455 1.00 0.62 O ATOM 0 H GLY A 146 66.794 10.704 3.144 1.00 0.69 H new ATOM 0 HA2 GLY A 146 65.043 12.402 2.443 1.00 0.70 H new ATOM 0 HA3 GLY A 146 66.191 12.961 1.243 1.00 0.70 H new ATOM 942 N ARG A 147 66.282 10.104 0.471 1.00 0.54 N ATOM 943 CA ARG A 147 65.886 9.008 -0.462 1.00 0.49 C ATOM 944 C ARG A 147 66.428 7.666 0.032 1.00 0.44 C ATOM 945 O ARG A 147 67.343 7.608 0.830 1.00 0.56 O ATOM 946 CB ARG A 147 66.510 9.366 -1.817 1.00 0.57 C ATOM 947 CG ARG A 147 67.876 10.028 -1.610 1.00 0.78 C ATOM 948 CD ARG A 147 68.597 10.146 -2.955 1.00 0.73 C ATOM 949 NE ARG A 147 69.356 11.424 -2.875 1.00 1.07 N ATOM 950 CZ ARG A 147 70.634 11.410 -2.610 1.00 1.60 C ATOM 951 NH1 ARG A 147 71.043 11.318 -1.375 1.00 2.22 N ATOM 952 NH2 ARG A 147 71.502 11.487 -3.581 1.00 2.32 N ATOM 0 H ARG A 147 67.258 10.091 0.767 1.00 0.54 H new ATOM 0 HA ARG A 147 64.802 8.913 -0.530 1.00 0.49 H new ATOM 0 HB2 ARG A 147 66.621 8.467 -2.424 1.00 0.57 H new ATOM 0 HB3 ARG A 147 65.850 10.040 -2.363 1.00 0.57 H new ATOM 0 HG2 ARG A 147 67.750 11.015 -1.166 1.00 0.78 H new ATOM 0 HG3 ARG A 147 68.475 9.440 -0.915 1.00 0.78 H new ATOM 0 HD2 ARG A 147 69.265 9.300 -3.120 1.00 0.73 H new ATOM 0 HD3 ARG A 147 67.888 10.159 -3.783 1.00 0.73 H new ATOM 0 HE ARG A 147 68.877 12.312 -3.027 1.00 1.07 H new ATOM 0 HH11 ARG A 147 70.364 11.257 -0.616 1.00 2.22 H new ATOM 0 HH12 ARG A 147 72.042 11.307 -1.168 1.00 2.22 H new ATOM 0 HH21 ARG A 147 71.182 11.558 -4.547 1.00 2.32 H new ATOM 0 HH22 ARG A 147 72.501 11.476 -3.374 1.00 2.32 H new ATOM 966 N ILE A 148 65.868 6.586 -0.438 1.00 0.35 N ATOM 967 CA ILE A 148 66.348 5.245 -0.001 1.00 0.36 C ATOM 968 C ILE A 148 67.000 4.514 -1.179 1.00 0.40 C ATOM 969 O ILE A 148 66.396 4.321 -2.215 1.00 0.41 O ATOM 970 CB ILE A 148 65.087 4.515 0.472 1.00 0.35 C ATOM 971 CG1 ILE A 148 64.772 4.936 1.909 1.00 0.40 C ATOM 972 CG2 ILE A 148 65.308 2.999 0.423 1.00 0.43 C ATOM 973 CD1 ILE A 148 63.619 4.090 2.448 1.00 0.40 C ATOM 0 H ILE A 148 65.098 6.574 -1.107 1.00 0.35 H new ATOM 0 HA ILE A 148 67.100 5.301 0.786 1.00 0.36 H new ATOM 0 HB ILE A 148 64.255 4.774 -0.182 1.00 0.35 H new ATOM 0 HG12 ILE A 148 65.654 4.810 2.537 1.00 0.40 H new ATOM 0 HG13 ILE A 148 64.507 5.993 1.940 1.00 0.40 H new ATOM 0 HG21 ILE A 148 64.406 2.489 0.761 1.00 0.43 H new ATOM 0 HG22 ILE A 148 65.534 2.697 -0.600 1.00 0.43 H new ATOM 0 HG23 ILE A 148 66.141 2.732 1.073 1.00 0.43 H new ATOM 0 HD11 ILE A 148 63.395 4.390 3.472 1.00 0.40 H new ATOM 0 HD12 ILE A 148 62.737 4.238 1.825 1.00 0.40 H new ATOM 0 HD13 ILE A 148 63.902 3.037 2.432 1.00 0.40 H new ATOM 985 N ASP A 149 68.228 4.103 -1.023 1.00 0.47 N ATOM 986 CA ASP A 149 68.920 3.382 -2.130 1.00 0.55 C ATOM 987 C ASP A 149 68.906 1.874 -1.862 1.00 0.58 C ATOM 988 O ASP A 149 68.142 1.388 -1.054 1.00 0.54 O ATOM 989 CB ASP A 149 70.353 3.918 -2.121 1.00 0.65 C ATOM 990 CG ASP A 149 71.100 3.363 -0.907 1.00 1.32 C ATOM 991 OD1 ASP A 149 70.656 3.612 0.202 1.00 2.16 O ATOM 992 OD2 ASP A 149 72.104 2.699 -1.107 1.00 2.00 O ATOM 0 H ASP A 149 68.783 4.235 -0.177 1.00 0.47 H new ATOM 0 HA ASP A 149 68.436 3.539 -3.094 1.00 0.55 H new ATOM 0 HB2 ASP A 149 70.866 3.630 -3.039 1.00 0.65 H new ATOM 0 HB3 ASP A 149 70.344 5.007 -2.089 1.00 0.65 H new ATOM 997 N TYR A 150 69.740 1.131 -2.535 1.00 0.67 N ATOM 998 CA TYR A 150 69.766 -0.344 -2.315 1.00 0.73 C ATOM 999 C TYR A 150 70.099 -0.660 -0.854 1.00 0.75 C ATOM 1000 O TYR A 150 69.492 -1.516 -0.241 1.00 0.76 O ATOM 1001 CB TYR A 150 70.867 -0.865 -3.238 1.00 0.84 C ATOM 1002 CG TYR A 150 70.820 -2.373 -3.272 1.00 0.97 C ATOM 1003 CD1 TYR A 150 69.679 -3.027 -3.753 1.00 1.63 C ATOM 1004 CD2 TYR A 150 71.916 -3.119 -2.821 1.00 1.74 C ATOM 1005 CE1 TYR A 150 69.634 -4.425 -3.785 1.00 2.06 C ATOM 1006 CE2 TYR A 150 71.871 -4.518 -2.852 1.00 2.14 C ATOM 1007 CZ TYR A 150 70.730 -5.171 -3.334 1.00 2.02 C ATOM 1008 OH TYR A 150 70.685 -6.550 -3.365 1.00 2.63 O ATOM 0 H TYR A 150 70.404 1.479 -3.227 1.00 0.67 H new ATOM 0 HA TYR A 150 68.802 -0.807 -2.527 1.00 0.73 H new ATOM 0 HB2 TYR A 150 70.735 -0.463 -4.243 1.00 0.84 H new ATOM 0 HB3 TYR A 150 71.842 -0.528 -2.886 1.00 0.84 H new ATOM 0 HD1 TYR A 150 68.833 -2.452 -4.100 1.00 1.63 H new ATOM 0 HD2 TYR A 150 72.796 -2.615 -2.449 1.00 1.74 H new ATOM 0 HE1 TYR A 150 68.754 -4.929 -4.157 1.00 2.06 H new ATOM 0 HE2 TYR A 150 72.716 -5.093 -2.504 1.00 2.14 H new ATOM 0 HH TYR A 150 71.527 -6.913 -3.018 1.00 2.63 H new ATOM 1018 N ASP A 151 71.060 0.020 -0.293 1.00 0.78 N ATOM 1019 CA ASP A 151 71.433 -0.246 1.127 1.00 0.82 C ATOM 1020 C ASP A 151 70.291 0.160 2.064 1.00 0.74 C ATOM 1021 O ASP A 151 69.664 -0.672 2.688 1.00 0.76 O ATOM 1022 CB ASP A 151 72.668 0.620 1.380 1.00 0.87 C ATOM 1023 CG ASP A 151 73.765 0.251 0.379 1.00 1.31 C ATOM 1024 OD1 ASP A 151 74.369 -0.795 0.550 1.00 1.67 O ATOM 1025 OD2 ASP A 151 73.981 1.021 -0.543 1.00 2.08 O ATOM 0 H ASP A 151 71.604 0.749 -0.755 1.00 0.78 H new ATOM 0 HA ASP A 151 71.630 -1.302 1.310 1.00 0.82 H new ATOM 0 HB2 ASP A 151 72.412 1.675 1.282 1.00 0.87 H new ATOM 0 HB3 ASP A 151 73.026 0.472 2.399 1.00 0.87 H new ATOM 1030 N GLU A 152 70.018 1.433 2.169 1.00 0.67 N ATOM 1031 CA GLU A 152 68.918 1.889 3.069 1.00 0.61 C ATOM 1032 C GLU A 152 67.647 1.075 2.811 1.00 0.58 C ATOM 1033 O GLU A 152 66.820 0.904 3.685 1.00 0.58 O ATOM 1034 CB GLU A 152 68.693 3.358 2.709 1.00 0.59 C ATOM 1035 CG GLU A 152 69.972 4.154 2.978 1.00 0.76 C ATOM 1036 CD GLU A 152 70.043 5.344 2.020 1.00 0.75 C ATOM 1037 OE1 GLU A 152 69.004 5.925 1.751 1.00 1.39 O ATOM 1038 OE2 GLU A 152 71.134 5.655 1.572 1.00 1.20 O ATOM 0 H GLU A 152 70.508 2.176 1.671 1.00 0.67 H new ATOM 0 HA GLU A 152 69.169 1.760 4.122 1.00 0.61 H new ATOM 0 HB2 GLU A 152 68.411 3.447 1.660 1.00 0.59 H new ATOM 0 HB3 GLU A 152 67.869 3.765 3.296 1.00 0.59 H new ATOM 0 HG2 GLU A 152 69.985 4.503 4.010 1.00 0.76 H new ATOM 0 HG3 GLU A 152 70.845 3.515 2.846 1.00 0.76 H new ATOM 1045 N PHE A 153 67.484 0.572 1.619 1.00 0.60 N ATOM 1046 CA PHE A 153 66.266 -0.230 1.307 1.00 0.61 C ATOM 1047 C PHE A 153 66.372 -1.618 1.942 1.00 0.66 C ATOM 1048 O PHE A 153 65.413 -2.144 2.471 1.00 0.71 O ATOM 1049 CB PHE A 153 66.243 -0.336 -0.219 1.00 0.64 C ATOM 1050 CG PHE A 153 65.011 -1.092 -0.656 1.00 0.68 C ATOM 1051 CD1 PHE A 153 64.974 -2.488 -0.559 1.00 1.18 C ATOM 1052 CD2 PHE A 153 63.908 -0.395 -1.163 1.00 1.47 C ATOM 1053 CE1 PHE A 153 63.832 -3.187 -0.968 1.00 1.24 C ATOM 1054 CE2 PHE A 153 62.766 -1.095 -1.572 1.00 1.55 C ATOM 1055 CZ PHE A 153 62.728 -2.491 -1.475 1.00 0.93 C ATOM 0 H PHE A 153 68.141 0.681 0.847 1.00 0.60 H new ATOM 0 HA PHE A 153 65.357 0.228 1.697 1.00 0.61 H new ATOM 0 HB2 PHE A 153 66.248 0.660 -0.663 1.00 0.64 H new ATOM 0 HB3 PHE A 153 67.139 -0.846 -0.572 1.00 0.64 H new ATOM 0 HD1 PHE A 153 65.826 -3.025 -0.169 1.00 1.18 H new ATOM 0 HD2 PHE A 153 63.938 0.682 -1.239 1.00 1.47 H new ATOM 0 HE1 PHE A 153 63.803 -4.264 -0.892 1.00 1.24 H new ATOM 0 HE2 PHE A 153 61.914 -0.558 -1.962 1.00 1.55 H new ATOM 0 HZ PHE A 153 61.848 -3.031 -1.791 1.00 0.93 H new ATOM 1065 N LEU A 154 67.532 -2.215 1.898 1.00 0.72 N ATOM 1066 CA LEU A 154 67.695 -3.567 2.504 1.00 0.80 C ATOM 1067 C LEU A 154 67.250 -3.540 3.968 1.00 0.79 C ATOM 1068 O LEU A 154 66.620 -4.459 4.453 1.00 0.82 O ATOM 1069 CB LEU A 154 69.190 -3.870 2.399 1.00 0.92 C ATOM 1070 CG LEU A 154 69.414 -4.976 1.366 1.00 0.85 C ATOM 1071 CD1 LEU A 154 68.534 -6.180 1.708 1.00 1.74 C ATOM 1072 CD2 LEU A 154 69.045 -4.457 -0.025 1.00 1.54 C ATOM 0 H LEU A 154 68.372 -1.826 1.470 1.00 0.72 H new ATOM 0 HA LEU A 154 67.093 -4.324 2.002 1.00 0.80 H new ATOM 0 HB2 LEU A 154 69.735 -2.971 2.110 1.00 0.92 H new ATOM 0 HB3 LEU A 154 69.578 -4.180 3.369 1.00 0.92 H new ATOM 0 HG LEU A 154 70.462 -5.276 1.377 1.00 0.85 H new ATOM 0 HD11 LEU A 154 68.694 -6.968 0.972 1.00 1.74 H new ATOM 0 HD12 LEU A 154 68.794 -6.551 2.699 1.00 1.74 H new ATOM 0 HD13 LEU A 154 67.486 -5.880 1.697 1.00 1.74 H new ATOM 0 HD21 LEU A 154 69.204 -5.245 -0.761 1.00 1.54 H new ATOM 0 HD22 LEU A 154 67.997 -4.157 -0.035 1.00 1.54 H new ATOM 0 HD23 LEU A 154 69.670 -3.599 -0.271 1.00 1.54 H new ATOM 1084 N GLU A 155 67.568 -2.490 4.675 1.00 0.79 N ATOM 1085 CA GLU A 155 67.158 -2.402 6.106 1.00 0.82 C ATOM 1086 C GLU A 155 65.699 -1.949 6.204 1.00 0.81 C ATOM 1087 O GLU A 155 64.993 -2.288 7.133 1.00 0.90 O ATOM 1088 CB GLU A 155 68.086 -1.354 6.721 1.00 0.85 C ATOM 1089 CG GLU A 155 67.727 -1.156 8.195 1.00 0.95 C ATOM 1090 CD GLU A 155 68.576 -2.092 9.057 1.00 1.67 C ATOM 1091 OE1 GLU A 155 69.375 -2.822 8.494 1.00 2.27 O ATOM 1092 OE2 GLU A 155 68.413 -2.062 10.266 1.00 2.47 O ATOM 0 H GLU A 155 68.094 -1.689 4.324 1.00 0.79 H new ATOM 0 HA GLU A 155 67.232 -3.361 6.619 1.00 0.82 H new ATOM 0 HB2 GLU A 155 69.124 -1.673 6.628 1.00 0.85 H new ATOM 0 HB3 GLU A 155 67.993 -0.410 6.183 1.00 0.85 H new ATOM 0 HG2 GLU A 155 67.899 -0.120 8.486 1.00 0.95 H new ATOM 0 HG3 GLU A 155 66.668 -1.360 8.353 1.00 0.95 H new ATOM 1099 N PHE A 156 65.243 -1.187 5.247 1.00 0.75 N ATOM 1100 CA PHE A 156 63.830 -0.712 5.278 1.00 0.78 C ATOM 1101 C PHE A 156 62.881 -1.901 5.451 1.00 0.84 C ATOM 1102 O PHE A 156 62.119 -1.968 6.395 1.00 0.90 O ATOM 1103 CB PHE A 156 63.612 -0.043 3.920 1.00 0.78 C ATOM 1104 CG PHE A 156 62.290 0.685 3.918 1.00 0.85 C ATOM 1105 CD1 PHE A 156 61.116 0.005 3.569 1.00 1.66 C ATOM 1106 CD2 PHE A 156 62.238 2.041 4.262 1.00 1.27 C ATOM 1107 CE1 PHE A 156 59.890 0.682 3.564 1.00 1.77 C ATOM 1108 CE2 PHE A 156 61.012 2.718 4.257 1.00 1.31 C ATOM 1109 CZ PHE A 156 59.839 2.039 3.908 1.00 1.10 C ATOM 0 H PHE A 156 65.788 -0.873 4.444 1.00 0.75 H new ATOM 0 HA PHE A 156 63.637 -0.028 6.105 1.00 0.78 H new ATOM 0 HB2 PHE A 156 64.423 0.655 3.713 1.00 0.78 H new ATOM 0 HB3 PHE A 156 63.627 -0.792 3.128 1.00 0.78 H new ATOM 0 HD1 PHE A 156 61.156 -1.041 3.304 1.00 1.66 H new ATOM 0 HD2 PHE A 156 63.143 2.565 4.531 1.00 1.27 H new ATOM 0 HE1 PHE A 156 58.985 0.158 3.295 1.00 1.77 H new ATOM 0 HE2 PHE A 156 60.972 3.764 4.522 1.00 1.31 H new ATOM 0 HZ PHE A 156 58.894 2.562 3.904 1.00 1.10 H new ATOM 1119 N MET A 157 62.924 -2.839 4.547 1.00 0.86 N ATOM 1120 CA MET A 157 62.027 -4.024 4.658 1.00 0.95 C ATOM 1121 C MET A 157 62.438 -4.890 5.854 1.00 0.99 C ATOM 1122 O MET A 157 61.641 -5.626 6.401 1.00 1.12 O ATOM 1123 CB MET A 157 62.220 -4.791 3.350 1.00 0.99 C ATOM 1124 CG MET A 157 61.597 -4.002 2.197 1.00 1.28 C ATOM 1125 SD MET A 157 59.908 -4.588 1.907 1.00 1.48 S ATOM 1126 CE MET A 157 59.342 -3.178 0.924 1.00 1.12 C ATOM 0 H MET A 157 63.542 -2.837 3.735 1.00 0.86 H new ATOM 0 HA MET A 157 60.986 -3.740 4.815 1.00 0.95 H new ATOM 0 HB2 MET A 157 63.282 -4.950 3.163 1.00 0.99 H new ATOM 0 HB3 MET A 157 61.758 -5.776 3.422 1.00 0.99 H new ATOM 0 HG2 MET A 157 61.589 -2.938 2.433 1.00 1.28 H new ATOM 0 HG3 MET A 157 62.195 -4.123 1.294 1.00 1.28 H new ATOM 0 HE1 MET A 157 58.303 -3.332 0.632 1.00 1.12 H new ATOM 0 HE2 MET A 157 59.421 -2.266 1.516 1.00 1.12 H new ATOM 0 HE3 MET A 157 59.960 -3.085 0.031 1.00 1.12 H new ATOM 1136 N LYS A 158 63.675 -4.807 6.263 1.00 0.94 N ATOM 1137 CA LYS A 158 64.132 -5.627 7.424 1.00 1.02 C ATOM 1138 C LYS A 158 63.223 -5.383 8.632 1.00 1.05 C ATOM 1139 O LYS A 158 62.920 -6.286 9.386 1.00 1.20 O ATOM 1140 CB LYS A 158 65.554 -5.146 7.715 1.00 1.07 C ATOM 1141 CG LYS A 158 66.554 -6.233 7.317 1.00 1.26 C ATOM 1142 CD LYS A 158 67.968 -5.788 7.693 1.00 1.53 C ATOM 1143 CE LYS A 158 68.808 -5.630 6.423 1.00 1.45 C ATOM 1144 NZ LYS A 158 69.688 -6.831 6.392 1.00 2.07 N ATOM 0 H LYS A 158 64.388 -4.209 5.845 1.00 0.94 H new ATOM 0 HA LYS A 158 64.100 -6.696 7.213 1.00 1.02 H new ATOM 0 HB2 LYS A 158 65.759 -4.229 7.162 1.00 1.07 H new ATOM 0 HB3 LYS A 158 65.660 -4.910 8.774 1.00 1.07 H new ATOM 0 HG2 LYS A 158 66.310 -7.168 7.820 1.00 1.26 H new ATOM 0 HG3 LYS A 158 66.494 -6.423 6.245 1.00 1.26 H new ATOM 0 HD2 LYS A 158 67.931 -4.844 8.237 1.00 1.53 H new ATOM 0 HD3 LYS A 158 68.427 -6.521 8.357 1.00 1.53 H new ATOM 0 HE2 LYS A 158 68.177 -5.580 5.536 1.00 1.45 H new ATOM 0 HE3 LYS A 158 69.394 -4.711 6.449 1.00 1.45 H new ATOM 0 HZ1 LYS A 158 70.295 -6.795 5.548 1.00 2.07 H new ATOM 0 HZ2 LYS A 158 70.282 -6.848 7.246 1.00 2.07 H new ATOM 0 HZ3 LYS A 158 69.102 -7.690 6.360 1.00 2.07 H new