USER MOD reduce.3.24.130724 H: found=0, std=0, add=449, rem=0, adj=10 USER MOD reduce.3.24.130724 removed 451 hydrogens (0 hets) USER MOD ----------------------------------------------------------------- USER MOD scores for adjustable sidechains, with "set" totals for H,N and Q USER MOD "o" means original, "f" means flipped, "180deg" is methyl default USER MOD "!" flags a clash with an overlap of 0.40A or greater USER MOD flip categories: "K"=keep, "C"=clashes, "X"=uncertain, "F"=flip USER MOD Single : A 98 SER OG : rot 180:sc= -0.732 USER MOD Single : A 103 MET CE :methyl -142:sc= -0.233 (180deg=-1.82!) USER MOD Single : A 106 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 107 ASN : amide:sc= -5.19! C(o=-5.2!,f=-7.8!) USER MOD Single : A 111 TYR OH : rot 180:sc= 0 USER MOD Single : A 118 LYS NZ :NH3+ -153:sc= -0.532 (180deg=-1.92!) USER MOD Single : A 120 MET CE :methyl -145:sc= -0.0508 (180deg=-2.59!) USER MOD Single : A 122 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 129 THR OG1 : rot -32:sc= 0.487 USER MOD Single : A 137 MET CE :methyl 141:sc= -0.399 (180deg=-2.37!) USER MOD Single : A 138 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 142 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 143 ASN : amide:sc= -3.36! C(o=-3.4!,f=-9.5!) USER MOD Single : A 144 ASN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 150 TYR OH : rot 180:sc= -0.385 USER MOD Single : A 157 MET CE :methyl 160:sc= -0.477 (180deg=-1.18) USER MOD Single : A 158 LYS NZ :NH3+ -174:sc= -0.225 (180deg=-0.242) USER MOD ----------------------------------------------------------------- ATOM 155 N GLU A 96 64.250 -10.914 -3.268 1.00 1.38 N ATOM 156 CA GLU A 96 62.893 -10.297 -3.242 1.00 1.34 C ATOM 157 C GLU A 96 62.978 -8.842 -2.770 1.00 1.16 C ATOM 158 O GLU A 96 62.156 -8.018 -3.119 1.00 1.07 O ATOM 159 CB GLU A 96 62.095 -11.136 -2.244 1.00 1.51 C ATOM 160 CG GLU A 96 60.965 -11.864 -2.976 1.00 2.07 C ATOM 161 CD GLU A 96 61.546 -12.664 -4.144 1.00 2.19 C ATOM 162 OE1 GLU A 96 62.530 -13.353 -3.932 1.00 2.61 O ATOM 163 OE2 GLU A 96 60.997 -12.574 -5.229 1.00 2.60 O ATOM 0 HA GLU A 96 62.429 -10.283 -4.228 1.00 1.34 H new ATOM 0 HB2 GLU A 96 62.749 -11.857 -1.754 1.00 1.51 H new ATOM 0 HB3 GLU A 96 61.684 -10.497 -1.463 1.00 1.51 H new ATOM 0 HG2 GLU A 96 60.442 -12.530 -2.289 1.00 2.07 H new ATOM 0 HG3 GLU A 96 60.232 -11.145 -3.342 1.00 2.07 H new ATOM 170 N LEU A 97 63.965 -8.521 -1.979 1.00 1.14 N ATOM 171 CA LEU A 97 64.098 -7.119 -1.486 1.00 0.99 C ATOM 172 C LEU A 97 64.609 -6.209 -2.606 1.00 0.82 C ATOM 173 O LEU A 97 64.136 -5.104 -2.786 1.00 0.70 O ATOM 174 CB LEU A 97 65.116 -7.196 -0.349 1.00 1.03 C ATOM 175 CG LEU A 97 64.425 -7.688 0.924 1.00 1.31 C ATOM 176 CD1 LEU A 97 65.461 -8.306 1.864 1.00 1.57 C ATOM 177 CD2 LEU A 97 63.744 -6.508 1.622 1.00 1.71 C ATOM 0 H LEU A 97 64.684 -9.167 -1.653 1.00 1.14 H new ATOM 0 HA LEU A 97 63.146 -6.705 -1.154 1.00 0.99 H new ATOM 0 HB2 LEU A 97 65.928 -7.872 -0.619 1.00 1.03 H new ATOM 0 HB3 LEU A 97 65.561 -6.216 -0.178 1.00 1.03 H new ATOM 0 HG LEU A 97 63.679 -8.439 0.664 1.00 1.31 H new ATOM 0 HD11 LEU A 97 64.967 -8.656 2.770 1.00 1.57 H new ATOM 0 HD12 LEU A 97 65.947 -9.146 1.368 1.00 1.57 H new ATOM 0 HD13 LEU A 97 66.209 -7.557 2.124 1.00 1.57 H new ATOM 0 HD21 LEU A 97 63.251 -6.857 2.529 1.00 1.71 H new ATOM 0 HD22 LEU A 97 64.491 -5.758 1.881 1.00 1.71 H new ATOM 0 HD23 LEU A 97 63.004 -6.068 0.954 1.00 1.71 H new ATOM 189 N SER A 98 65.571 -6.664 -3.360 1.00 0.87 N ATOM 190 CA SER A 98 66.113 -5.823 -4.467 1.00 0.78 C ATOM 191 C SER A 98 65.049 -5.620 -5.549 1.00 0.75 C ATOM 192 O SER A 98 64.791 -4.513 -5.979 1.00 0.74 O ATOM 193 CB SER A 98 67.296 -6.615 -5.021 1.00 0.93 C ATOM 194 OG SER A 98 66.842 -7.469 -6.064 1.00 1.41 O ATOM 0 H SER A 98 66.006 -7.581 -3.259 1.00 0.87 H new ATOM 0 HA SER A 98 66.409 -4.831 -4.125 1.00 0.78 H new ATOM 0 HB2 SER A 98 68.059 -5.935 -5.399 1.00 0.93 H new ATOM 0 HB3 SER A 98 67.758 -7.204 -4.228 1.00 0.93 H new ATOM 0 HG SER A 98 67.599 -7.978 -6.423 1.00 1.41 H new ATOM 200 N ASP A 99 64.430 -6.679 -5.993 1.00 0.80 N ATOM 201 CA ASP A 99 63.385 -6.545 -7.047 1.00 0.82 C ATOM 202 C ASP A 99 62.284 -5.586 -6.587 1.00 0.77 C ATOM 203 O ASP A 99 61.871 -4.708 -7.317 1.00 0.77 O ATOM 204 CB ASP A 99 62.824 -7.956 -7.231 1.00 0.93 C ATOM 205 CG ASP A 99 63.821 -8.802 -8.024 1.00 1.45 C ATOM 206 OD1 ASP A 99 64.314 -8.313 -9.028 1.00 2.18 O ATOM 207 OD2 ASP A 99 64.075 -9.922 -7.617 1.00 1.92 O ATOM 0 H ASP A 99 64.603 -7.632 -5.672 1.00 0.80 H new ATOM 0 HA ASP A 99 63.788 -6.141 -7.976 1.00 0.82 H new ATOM 0 HB2 ASP A 99 62.635 -8.413 -6.260 1.00 0.93 H new ATOM 0 HB3 ASP A 99 61.869 -7.914 -7.755 1.00 0.93 H new ATOM 212 N LEU A 100 61.805 -5.747 -5.384 1.00 0.77 N ATOM 213 CA LEU A 100 60.730 -4.843 -4.884 1.00 0.77 C ATOM 214 C LEU A 100 61.173 -3.380 -4.988 1.00 0.64 C ATOM 215 O LEU A 100 60.374 -2.495 -5.222 1.00 0.64 O ATOM 216 CB LEU A 100 60.527 -5.240 -3.421 1.00 0.85 C ATOM 217 CG LEU A 100 59.630 -6.476 -3.346 1.00 1.16 C ATOM 218 CD1 LEU A 100 59.317 -6.793 -1.883 1.00 1.54 C ATOM 219 CD2 LEU A 100 58.325 -6.205 -4.096 1.00 1.57 C ATOM 0 H LEU A 100 62.111 -6.464 -4.726 1.00 0.77 H new ATOM 0 HA LEU A 100 59.811 -4.936 -5.463 1.00 0.77 H new ATOM 0 HB2 LEU A 100 61.489 -5.447 -2.953 1.00 0.85 H new ATOM 0 HB3 LEU A 100 60.075 -4.416 -2.869 1.00 0.85 H new ATOM 0 HG LEU A 100 60.143 -7.324 -3.800 1.00 1.16 H new ATOM 0 HD11 LEU A 100 58.678 -7.674 -1.830 1.00 1.54 H new ATOM 0 HD12 LEU A 100 60.246 -6.986 -1.346 1.00 1.54 H new ATOM 0 HD13 LEU A 100 58.804 -5.945 -1.429 1.00 1.54 H new ATOM 0 HD21 LEU A 100 57.685 -7.086 -4.043 1.00 1.57 H new ATOM 0 HD22 LEU A 100 57.813 -5.357 -3.641 1.00 1.57 H new ATOM 0 HD23 LEU A 100 58.545 -5.979 -5.139 1.00 1.57 H new ATOM 231 N PHE A 101 62.439 -3.118 -4.812 1.00 0.60 N ATOM 232 CA PHE A 101 62.927 -1.712 -4.899 1.00 0.53 C ATOM 233 C PHE A 101 62.819 -1.196 -6.338 1.00 0.49 C ATOM 234 O PHE A 101 62.188 -0.193 -6.601 1.00 0.61 O ATOM 235 CB PHE A 101 64.391 -1.770 -4.462 1.00 0.57 C ATOM 236 CG PHE A 101 65.011 -0.398 -4.596 1.00 0.46 C ATOM 237 CD1 PHE A 101 65.310 0.113 -5.864 1.00 1.31 C ATOM 238 CD2 PHE A 101 65.284 0.361 -3.452 1.00 1.23 C ATOM 239 CE1 PHE A 101 65.883 1.384 -5.988 1.00 1.30 C ATOM 240 CE2 PHE A 101 65.857 1.631 -3.577 1.00 1.23 C ATOM 241 CZ PHE A 101 66.156 2.143 -4.845 1.00 0.40 C ATOM 0 H PHE A 101 63.156 -3.815 -4.612 1.00 0.60 H new ATOM 0 HA PHE A 101 62.341 -1.037 -4.276 1.00 0.53 H new ATOM 0 HB2 PHE A 101 64.460 -2.113 -3.430 1.00 0.57 H new ATOM 0 HB3 PHE A 101 64.936 -2.489 -5.074 1.00 0.57 H new ATOM 0 HD1 PHE A 101 65.099 -0.473 -6.746 1.00 1.31 H new ATOM 0 HD2 PHE A 101 65.052 -0.034 -2.474 1.00 1.23 H new ATOM 0 HE1 PHE A 101 66.114 1.779 -6.966 1.00 1.30 H new ATOM 0 HE2 PHE A 101 66.069 2.217 -2.695 1.00 1.23 H new ATOM 0 HZ PHE A 101 66.597 3.124 -4.941 1.00 0.40 H new ATOM 251 N ARG A 102 63.432 -1.875 -7.269 1.00 0.53 N ATOM 252 CA ARG A 102 63.369 -1.421 -8.689 1.00 0.70 C ATOM 253 C ARG A 102 61.958 -1.619 -9.251 1.00 0.80 C ATOM 254 O ARG A 102 61.635 -1.140 -10.320 1.00 1.09 O ATOM 255 CB ARG A 102 64.371 -2.305 -9.431 1.00 0.87 C ATOM 256 CG ARG A 102 64.659 -1.707 -10.809 1.00 1.28 C ATOM 257 CD ARG A 102 65.383 -2.742 -11.674 1.00 1.83 C ATOM 258 NE ARG A 102 65.777 -2.005 -12.906 1.00 2.26 N ATOM 259 CZ ARG A 102 65.609 -2.555 -14.077 1.00 2.89 C ATOM 260 NH1 ARG A 102 66.526 -3.346 -14.564 1.00 3.68 N ATOM 261 NH2 ARG A 102 64.524 -2.316 -14.761 1.00 3.22 N ATOM 0 H ARG A 102 63.974 -2.724 -7.109 1.00 0.53 H new ATOM 0 HA ARG A 102 63.603 -0.361 -8.793 1.00 0.70 H new ATOM 0 HB2 ARG A 102 65.295 -2.386 -8.858 1.00 0.87 H new ATOM 0 HB3 ARG A 102 63.973 -3.314 -9.537 1.00 0.87 H new ATOM 0 HG2 ARG A 102 63.728 -1.405 -11.288 1.00 1.28 H new ATOM 0 HG3 ARG A 102 65.271 -0.811 -10.707 1.00 1.28 H new ATOM 0 HD2 ARG A 102 66.255 -3.146 -11.160 1.00 1.83 H new ATOM 0 HD3 ARG A 102 64.733 -3.585 -11.909 1.00 1.83 H new ATOM 0 HE ARG A 102 66.178 -1.070 -12.835 1.00 2.26 H new ATOM 0 HH11 ARG A 102 67.374 -3.534 -14.029 1.00 3.68 H new ATOM 0 HH12 ARG A 102 66.395 -3.776 -15.480 1.00 3.68 H new ATOM 0 HH21 ARG A 102 63.807 -1.699 -14.380 1.00 3.22 H new ATOM 0 HH22 ARG A 102 64.393 -2.746 -15.677 1.00 3.22 H new ATOM 275 N MET A 103 61.118 -2.322 -8.544 1.00 0.68 N ATOM 276 CA MET A 103 59.731 -2.548 -9.045 1.00 0.81 C ATOM 277 C MET A 103 58.770 -1.527 -8.428 1.00 0.79 C ATOM 278 O MET A 103 57.644 -1.381 -8.862 1.00 0.90 O ATOM 279 CB MET A 103 59.368 -3.961 -8.591 1.00 0.91 C ATOM 280 CG MET A 103 59.801 -4.969 -9.657 1.00 1.35 C ATOM 281 SD MET A 103 58.379 -5.980 -10.142 1.00 1.92 S ATOM 282 CE MET A 103 57.938 -6.560 -8.485 1.00 1.63 C ATOM 0 H MET A 103 61.330 -2.750 -7.643 1.00 0.68 H new ATOM 0 HA MET A 103 59.663 -2.436 -10.127 1.00 0.81 H new ATOM 0 HB2 MET A 103 59.857 -4.186 -7.643 1.00 0.91 H new ATOM 0 HB3 MET A 103 58.294 -4.035 -8.421 1.00 0.91 H new ATOM 0 HG2 MET A 103 60.203 -4.447 -10.525 1.00 1.35 H new ATOM 0 HG3 MET A 103 60.598 -5.604 -9.270 1.00 1.35 H new ATOM 0 HE1 MET A 103 57.614 -7.599 -8.538 1.00 1.63 H new ATOM 0 HE2 MET A 103 58.806 -6.483 -7.830 1.00 1.63 H new ATOM 0 HE3 MET A 103 57.128 -5.947 -8.089 1.00 1.63 H new ATOM 292 N PHE A 104 59.202 -0.824 -7.417 1.00 0.71 N ATOM 293 CA PHE A 104 58.308 0.181 -6.773 1.00 0.75 C ATOM 294 C PHE A 104 58.848 1.598 -6.995 1.00 0.68 C ATOM 295 O PHE A 104 58.177 2.575 -6.727 1.00 0.80 O ATOM 296 CB PHE A 104 58.324 -0.173 -5.286 1.00 0.76 C ATOM 297 CG PHE A 104 57.169 -1.093 -4.973 1.00 1.03 C ATOM 298 CD1 PHE A 104 55.852 -0.632 -5.092 1.00 1.67 C ATOM 299 CD2 PHE A 104 57.413 -2.409 -4.561 1.00 1.71 C ATOM 300 CE1 PHE A 104 54.781 -1.484 -4.800 1.00 1.90 C ATOM 301 CE2 PHE A 104 56.342 -3.261 -4.269 1.00 2.03 C ATOM 302 CZ PHE A 104 55.026 -2.800 -4.388 1.00 1.76 C ATOM 0 H PHE A 104 60.134 -0.901 -7.009 1.00 0.71 H new ATOM 0 HA PHE A 104 57.300 0.161 -7.188 1.00 0.75 H new ATOM 0 HB2 PHE A 104 59.267 -0.655 -5.026 1.00 0.76 H new ATOM 0 HB3 PHE A 104 58.253 0.734 -4.685 1.00 0.76 H new ATOM 0 HD1 PHE A 104 55.663 0.383 -5.410 1.00 1.67 H new ATOM 0 HD2 PHE A 104 58.428 -2.766 -4.469 1.00 1.71 H new ATOM 0 HE1 PHE A 104 53.766 -1.127 -4.892 1.00 1.90 H new ATOM 0 HE2 PHE A 104 56.531 -4.276 -3.951 1.00 2.03 H new ATOM 0 HZ PHE A 104 54.200 -3.458 -4.162 1.00 1.76 H new ATOM 312 N ASP A 105 60.053 1.720 -7.482 1.00 0.58 N ATOM 313 CA ASP A 105 60.630 3.076 -7.718 1.00 0.52 C ATOM 314 C ASP A 105 59.717 3.886 -8.644 1.00 0.52 C ATOM 315 O ASP A 105 59.874 3.878 -9.848 1.00 0.60 O ATOM 316 CB ASP A 105 61.982 2.821 -8.386 1.00 0.60 C ATOM 317 CG ASP A 105 62.800 4.115 -8.401 1.00 0.51 C ATOM 318 OD1 ASP A 105 62.329 5.098 -7.852 1.00 0.48 O ATOM 319 OD2 ASP A 105 63.884 4.101 -8.962 1.00 0.54 O ATOM 0 H ASP A 105 60.663 0.940 -7.727 1.00 0.58 H new ATOM 0 HA ASP A 105 60.733 3.647 -6.795 1.00 0.52 H new ATOM 0 HB2 ASP A 105 62.524 2.043 -7.848 1.00 0.60 H new ATOM 0 HB3 ASP A 105 61.834 2.461 -9.404 1.00 0.60 H new ATOM 324 N LYS A 106 58.764 4.586 -8.090 1.00 0.51 N ATOM 325 CA LYS A 106 57.846 5.396 -8.940 1.00 0.60 C ATOM 326 C LYS A 106 58.634 6.470 -9.687 1.00 0.59 C ATOM 327 O LYS A 106 58.425 6.705 -10.860 1.00 0.70 O ATOM 328 CB LYS A 106 56.859 6.032 -7.963 1.00 0.63 C ATOM 329 CG LYS A 106 55.727 5.047 -7.676 1.00 1.39 C ATOM 330 CD LYS A 106 54.659 5.165 -8.764 1.00 1.58 C ATOM 331 CE LYS A 106 54.846 4.043 -9.789 1.00 2.00 C ATOM 332 NZ LYS A 106 53.567 4.000 -10.550 1.00 2.79 N ATOM 0 H LYS A 106 58.582 4.632 -7.087 1.00 0.51 H new ATOM 0 HA LYS A 106 57.338 4.794 -9.693 1.00 0.60 H new ATOM 0 HB2 LYS A 106 57.368 6.299 -7.037 1.00 0.63 H new ATOM 0 HB3 LYS A 106 56.457 6.954 -8.383 1.00 0.63 H new ATOM 0 HG2 LYS A 106 56.116 4.029 -7.643 1.00 1.39 H new ATOM 0 HG3 LYS A 106 55.290 5.253 -6.699 1.00 1.39 H new ATOM 0 HD2 LYS A 106 53.665 5.105 -8.321 1.00 1.58 H new ATOM 0 HD3 LYS A 106 54.731 6.136 -9.255 1.00 1.58 H new ATOM 0 HE2 LYS A 106 55.690 4.247 -10.447 1.00 2.00 H new ATOM 0 HE3 LYS A 106 55.046 3.090 -9.299 1.00 2.00 H new ATOM 0 HZ1 LYS A 106 53.618 3.254 -11.273 1.00 2.79 H new ATOM 0 HZ2 LYS A 106 52.782 3.798 -9.898 1.00 2.79 H new ATOM 0 HZ3 LYS A 106 53.406 4.918 -11.011 1.00 2.79 H new ATOM 346 N ASN A 107 59.545 7.119 -9.018 1.00 0.53 N ATOM 347 CA ASN A 107 60.352 8.173 -9.697 1.00 0.59 C ATOM 348 C ASN A 107 61.373 7.519 -10.629 1.00 0.60 C ATOM 349 O ASN A 107 61.944 8.156 -11.492 1.00 0.71 O ATOM 350 CB ASN A 107 61.054 8.918 -8.564 1.00 0.62 C ATOM 351 CG ASN A 107 62.160 9.804 -9.138 1.00 1.10 C ATOM 352 OD1 ASN A 107 63.235 9.894 -8.578 1.00 1.50 O ATOM 353 ND2 ASN A 107 61.942 10.468 -10.240 1.00 1.67 N ATOM 0 H ASN A 107 59.766 6.967 -8.034 1.00 0.53 H new ATOM 0 HA ASN A 107 59.745 8.843 -10.306 1.00 0.59 H new ATOM 0 HB2 ASN A 107 60.335 9.527 -8.016 1.00 0.62 H new ATOM 0 HB3 ASN A 107 61.476 8.206 -7.854 1.00 0.62 H new ATOM 0 HD21 ASN A 107 62.673 11.062 -10.631 1.00 1.67 H new ATOM 0 HD22 ASN A 107 61.040 10.393 -10.711 1.00 1.67 H new ATOM 360 N ALA A 108 61.603 6.245 -10.459 1.00 0.56 N ATOM 361 CA ALA A 108 62.584 5.536 -11.331 1.00 0.62 C ATOM 362 C ALA A 108 63.859 6.370 -11.489 1.00 0.64 C ATOM 363 O ALA A 108 64.186 6.823 -12.568 1.00 0.78 O ATOM 364 CB ALA A 108 61.878 5.380 -12.678 1.00 0.72 C ATOM 0 H ALA A 108 61.153 5.663 -9.752 1.00 0.56 H new ATOM 0 HA ALA A 108 62.884 4.575 -10.913 1.00 0.62 H new ATOM 0 HB1 ALA A 108 62.537 4.865 -13.377 1.00 0.72 H new ATOM 0 HB2 ALA A 108 60.965 4.799 -12.545 1.00 0.72 H new ATOM 0 HB3 ALA A 108 61.627 6.364 -13.073 1.00 0.72 H new ATOM 370 N ASP A 109 64.581 6.576 -10.422 1.00 0.57 N ATOM 371 CA ASP A 109 65.834 7.379 -10.516 1.00 0.63 C ATOM 372 C ASP A 109 66.968 6.682 -9.758 1.00 0.63 C ATOM 373 O ASP A 109 68.014 7.253 -9.521 1.00 0.76 O ATOM 374 CB ASP A 109 65.494 8.723 -9.866 1.00 0.62 C ATOM 375 CG ASP A 109 65.424 8.554 -8.347 1.00 0.70 C ATOM 376 OD1 ASP A 109 64.840 7.578 -7.907 1.00 0.75 O ATOM 377 OD2 ASP A 109 65.955 9.403 -7.652 1.00 1.20 O ATOM 0 H ASP A 109 64.359 6.224 -9.491 1.00 0.57 H new ATOM 0 HA ASP A 109 66.171 7.500 -11.545 1.00 0.63 H new ATOM 0 HB2 ASP A 109 66.249 9.465 -10.125 1.00 0.62 H new ATOM 0 HB3 ASP A 109 64.541 9.092 -10.246 1.00 0.62 H new ATOM 382 N GLY A 110 66.769 5.448 -9.377 1.00 0.58 N ATOM 383 CA GLY A 110 67.836 4.714 -8.635 1.00 0.62 C ATOM 384 C GLY A 110 67.532 4.749 -7.136 1.00 0.54 C ATOM 385 O GLY A 110 67.925 3.873 -6.392 1.00 0.57 O ATOM 0 H GLY A 110 65.915 4.917 -9.547 1.00 0.58 H new ATOM 0 HA2 GLY A 110 67.891 3.682 -8.982 1.00 0.62 H new ATOM 0 HA3 GLY A 110 68.808 5.168 -8.830 1.00 0.62 H new ATOM 389 N TYR A 111 66.835 5.756 -6.690 1.00 0.50 N ATOM 390 CA TYR A 111 66.499 5.854 -5.240 1.00 0.48 C ATOM 391 C TYR A 111 65.002 6.115 -5.069 1.00 0.42 C ATOM 392 O TYR A 111 64.289 6.321 -6.030 1.00 0.52 O ATOM 393 CB TYR A 111 67.310 7.044 -4.725 1.00 0.52 C ATOM 394 CG TYR A 111 68.779 6.800 -4.969 1.00 0.60 C ATOM 395 CD1 TYR A 111 69.282 6.798 -6.276 1.00 1.36 C ATOM 396 CD2 TYR A 111 69.638 6.575 -3.888 1.00 1.38 C ATOM 397 CE1 TYR A 111 70.645 6.571 -6.501 1.00 1.40 C ATOM 398 CE2 TYR A 111 71.002 6.349 -4.113 1.00 1.46 C ATOM 399 CZ TYR A 111 71.506 6.346 -5.420 1.00 0.83 C ATOM 400 OH TYR A 111 72.849 6.121 -5.641 1.00 0.97 O ATOM 0 H TYR A 111 66.482 6.519 -7.268 1.00 0.50 H new ATOM 0 HA TYR A 111 66.731 4.938 -4.697 1.00 0.48 H new ATOM 0 HB2 TYR A 111 66.994 7.957 -5.229 1.00 0.52 H new ATOM 0 HB3 TYR A 111 67.127 7.188 -3.660 1.00 0.52 H new ATOM 0 HD1 TYR A 111 68.618 6.972 -7.110 1.00 1.36 H new ATOM 0 HD2 TYR A 111 69.250 6.576 -2.880 1.00 1.38 H new ATOM 0 HE1 TYR A 111 71.033 6.569 -7.509 1.00 1.40 H new ATOM 0 HE2 TYR A 111 71.665 6.177 -3.278 1.00 1.46 H new ATOM 0 HH TYR A 111 73.303 5.984 -4.783 1.00 0.97 H new ATOM 410 N ILE A 112 64.518 6.115 -3.859 1.00 0.36 N ATOM 411 CA ILE A 112 63.066 6.373 -3.646 1.00 0.32 C ATOM 412 C ILE A 112 62.857 7.355 -2.495 1.00 0.35 C ATOM 413 O ILE A 112 63.505 7.280 -1.472 1.00 0.43 O ATOM 414 CB ILE A 112 62.460 5.023 -3.308 1.00 0.32 C ATOM 415 CG1 ILE A 112 62.880 4.032 -4.401 1.00 0.40 C ATOM 416 CG2 ILE A 112 60.933 5.170 -3.257 1.00 0.35 C ATOM 417 CD1 ILE A 112 61.766 3.022 -4.670 1.00 0.46 C ATOM 0 H ILE A 112 65.061 5.949 -3.012 1.00 0.36 H new ATOM 0 HA ILE A 112 62.602 6.817 -4.527 1.00 0.32 H new ATOM 0 HB ILE A 112 62.805 4.659 -2.340 1.00 0.32 H new ATOM 0 HG12 ILE A 112 63.117 4.572 -5.317 1.00 0.40 H new ATOM 0 HG13 ILE A 112 63.786 3.509 -4.096 1.00 0.40 H new ATOM 0 HG21 ILE A 112 60.483 4.207 -3.015 1.00 0.35 H new ATOM 0 HG22 ILE A 112 60.663 5.899 -2.493 1.00 0.35 H new ATOM 0 HG23 ILE A 112 60.567 5.508 -4.227 1.00 0.35 H new ATOM 0 HD11 ILE A 112 62.084 2.328 -5.448 1.00 0.46 H new ATOM 0 HD12 ILE A 112 61.549 2.468 -3.757 1.00 0.46 H new ATOM 0 HD13 ILE A 112 60.869 3.548 -4.997 1.00 0.46 H new ATOM 429 N ASP A 113 61.948 8.271 -2.656 1.00 0.36 N ATOM 430 CA ASP A 113 61.686 9.258 -1.567 1.00 0.44 C ATOM 431 C ASP A 113 60.388 8.899 -0.838 1.00 0.44 C ATOM 432 O ASP A 113 59.804 7.860 -1.073 1.00 0.60 O ATOM 433 CB ASP A 113 61.567 10.620 -2.260 1.00 0.56 C ATOM 434 CG ASP A 113 60.684 10.499 -3.503 1.00 0.94 C ATOM 435 OD1 ASP A 113 59.700 9.784 -3.439 1.00 1.58 O ATOM 436 OD2 ASP A 113 61.009 11.125 -4.498 1.00 1.53 O ATOM 0 H ASP A 113 61.374 8.382 -3.492 1.00 0.36 H new ATOM 0 HA ASP A 113 62.480 9.265 -0.820 1.00 0.44 H new ATOM 0 HB2 ASP A 113 61.143 11.351 -1.572 1.00 0.56 H new ATOM 0 HB3 ASP A 113 62.556 10.982 -2.540 1.00 0.56 H new ATOM 441 N LEU A 114 59.939 9.739 0.052 1.00 0.47 N ATOM 442 CA LEU A 114 58.685 9.432 0.801 1.00 0.47 C ATOM 443 C LEU A 114 57.480 9.409 -0.145 1.00 0.50 C ATOM 444 O LEU A 114 56.620 8.557 -0.046 1.00 0.52 O ATOM 445 CB LEU A 114 58.545 10.563 1.821 1.00 0.57 C ATOM 446 CG LEU A 114 58.100 9.984 3.165 1.00 0.68 C ATOM 447 CD1 LEU A 114 58.427 10.974 4.284 1.00 1.36 C ATOM 448 CD2 LEU A 114 56.591 9.730 3.133 1.00 1.57 C ATOM 0 H LEU A 114 60.384 10.624 0.294 1.00 0.47 H new ATOM 0 HA LEU A 114 58.725 8.452 1.277 1.00 0.47 H new ATOM 0 HB2 LEU A 114 59.495 11.085 1.934 1.00 0.57 H new ATOM 0 HB3 LEU A 114 57.819 11.296 1.470 1.00 0.57 H new ATOM 0 HG LEU A 114 58.625 9.046 3.348 1.00 0.68 H new ATOM 0 HD11 LEU A 114 58.109 10.560 5.241 1.00 1.36 H new ATOM 0 HD12 LEU A 114 59.501 11.156 4.306 1.00 1.36 H new ATOM 0 HD13 LEU A 114 57.904 11.913 4.103 1.00 1.36 H new ATOM 0 HD21 LEU A 114 56.271 9.317 4.090 1.00 1.57 H new ATOM 0 HD22 LEU A 114 56.068 10.669 2.950 1.00 1.57 H new ATOM 0 HD23 LEU A 114 56.358 9.023 2.337 1.00 1.57 H new ATOM 460 N GLU A 115 57.407 10.339 -1.057 1.00 0.56 N ATOM 461 CA GLU A 115 56.251 10.366 -2.001 1.00 0.64 C ATOM 462 C GLU A 115 56.162 9.048 -2.777 1.00 0.56 C ATOM 463 O GLU A 115 55.101 8.643 -3.209 1.00 0.61 O ATOM 464 CB GLU A 115 56.544 11.526 -2.954 1.00 0.77 C ATOM 465 CG GLU A 115 55.920 12.809 -2.404 1.00 1.54 C ATOM 466 CD GLU A 115 56.872 13.983 -2.640 1.00 2.04 C ATOM 467 OE1 GLU A 115 57.982 13.740 -3.081 1.00 2.45 O ATOM 468 OE2 GLU A 115 56.473 15.106 -2.377 1.00 2.67 O ATOM 0 H GLU A 115 58.095 11.080 -1.190 1.00 0.56 H new ATOM 0 HA GLU A 115 55.301 10.492 -1.481 1.00 0.64 H new ATOM 0 HB2 GLU A 115 57.620 11.653 -3.069 1.00 0.77 H new ATOM 0 HB3 GLU A 115 56.141 11.308 -3.943 1.00 0.77 H new ATOM 0 HG2 GLU A 115 54.964 12.999 -2.892 1.00 1.54 H new ATOM 0 HG3 GLU A 115 55.718 12.700 -1.338 1.00 1.54 H new ATOM 475 N GLU A 116 57.267 8.381 -2.961 1.00 0.49 N ATOM 476 CA GLU A 116 57.246 7.094 -3.715 1.00 0.45 C ATOM 477 C GLU A 116 56.924 5.926 -2.777 1.00 0.43 C ATOM 478 O GLU A 116 56.126 5.067 -3.095 1.00 0.51 O ATOM 479 CB GLU A 116 58.655 6.951 -4.292 1.00 0.42 C ATOM 480 CG GLU A 116 58.856 7.982 -5.404 1.00 0.94 C ATOM 481 CD GLU A 116 60.316 7.968 -5.860 1.00 0.85 C ATOM 482 OE1 GLU A 116 60.794 6.906 -6.221 1.00 1.28 O ATOM 483 OE2 GLU A 116 60.932 9.022 -5.841 1.00 1.43 O ATOM 0 H GLU A 116 58.185 8.670 -2.622 1.00 0.49 H new ATOM 0 HA GLU A 116 56.483 7.087 -4.494 1.00 0.45 H new ATOM 0 HB2 GLU A 116 59.398 7.097 -3.507 1.00 0.42 H new ATOM 0 HB3 GLU A 116 58.799 5.944 -4.684 1.00 0.42 H new ATOM 0 HG2 GLU A 116 58.200 7.757 -6.245 1.00 0.94 H new ATOM 0 HG3 GLU A 116 58.586 8.975 -5.046 1.00 0.94 H new ATOM 490 N LEU A 117 57.537 5.887 -1.627 1.00 0.37 N ATOM 491 CA LEU A 117 57.263 4.772 -0.677 1.00 0.42 C ATOM 492 C LEU A 117 55.772 4.731 -0.334 1.00 0.50 C ATOM 493 O LEU A 117 55.198 3.678 -0.137 1.00 0.58 O ATOM 494 CB LEU A 117 58.089 5.094 0.569 1.00 0.43 C ATOM 495 CG LEU A 117 57.951 3.955 1.578 1.00 0.61 C ATOM 496 CD1 LEU A 117 58.965 2.857 1.253 1.00 0.90 C ATOM 497 CD2 LEU A 117 58.215 4.488 2.988 1.00 1.53 C ATOM 0 H LEU A 117 58.215 6.577 -1.304 1.00 0.37 H new ATOM 0 HA LEU A 117 57.524 3.800 -1.096 1.00 0.42 H new ATOM 0 HB2 LEU A 117 59.136 5.231 0.299 1.00 0.43 H new ATOM 0 HB3 LEU A 117 57.749 6.030 1.012 1.00 0.43 H new ATOM 0 HG LEU A 117 56.942 3.545 1.525 1.00 0.61 H new ATOM 0 HD11 LEU A 117 58.866 2.045 1.973 1.00 0.90 H new ATOM 0 HD12 LEU A 117 58.779 2.476 0.249 1.00 0.90 H new ATOM 0 HD13 LEU A 117 59.974 3.266 1.305 1.00 0.90 H new ATOM 0 HD21 LEU A 117 58.117 3.676 3.708 1.00 1.53 H new ATOM 0 HD22 LEU A 117 59.224 4.898 3.039 1.00 1.53 H new ATOM 0 HD23 LEU A 117 57.493 5.270 3.222 1.00 1.53 H new ATOM 509 N LYS A 118 55.141 5.870 -0.263 1.00 0.52 N ATOM 510 CA LYS A 118 53.688 5.896 0.065 1.00 0.63 C ATOM 511 C LYS A 118 52.900 5.094 -0.974 1.00 0.71 C ATOM 512 O LYS A 118 51.886 4.495 -0.672 1.00 0.83 O ATOM 513 CB LYS A 118 53.296 7.373 0.016 1.00 0.68 C ATOM 514 CG LYS A 118 53.801 8.077 1.276 1.00 1.05 C ATOM 515 CD LYS A 118 53.539 9.580 1.163 1.00 1.33 C ATOM 516 CE LYS A 118 53.272 10.158 2.555 1.00 1.49 C ATOM 517 NZ LYS A 118 53.763 11.563 2.488 1.00 1.82 N ATOM 0 H LYS A 118 55.568 6.783 -0.418 1.00 0.52 H new ATOM 0 HA LYS A 118 53.475 5.452 1.037 1.00 0.63 H new ATOM 0 HB2 LYS A 118 53.720 7.844 -0.871 1.00 0.68 H new ATOM 0 HB3 LYS A 118 52.213 7.470 -0.059 1.00 0.68 H new ATOM 0 HG2 LYS A 118 53.298 7.675 2.156 1.00 1.05 H new ATOM 0 HG3 LYS A 118 54.867 7.892 1.406 1.00 1.05 H new ATOM 0 HD2 LYS A 118 54.397 10.076 0.710 1.00 1.33 H new ATOM 0 HD3 LYS A 118 52.684 9.763 0.512 1.00 1.33 H new ATOM 0 HE2 LYS A 118 52.211 10.122 2.801 1.00 1.49 H new ATOM 0 HE3 LYS A 118 53.797 9.592 3.325 1.00 1.49 H new ATOM 0 HZ1 LYS A 118 54.046 11.878 3.438 1.00 1.82 H new ATOM 0 HZ2 LYS A 118 54.581 11.615 1.848 1.00 1.82 H new ATOM 0 HZ3 LYS A 118 53.005 12.179 2.131 1.00 1.82 H new ATOM 531 N ILE A 119 53.362 5.075 -2.194 1.00 0.72 N ATOM 532 CA ILE A 119 52.643 4.310 -3.252 1.00 0.84 C ATOM 533 C ILE A 119 52.969 2.818 -3.136 1.00 0.86 C ATOM 534 O ILE A 119 52.125 1.970 -3.345 1.00 0.96 O ATOM 535 CB ILE A 119 53.167 4.873 -4.570 1.00 0.93 C ATOM 536 CG1 ILE A 119 52.872 6.372 -4.631 1.00 1.00 C ATOM 537 CG2 ILE A 119 52.476 4.169 -5.739 1.00 1.06 C ATOM 538 CD1 ILE A 119 53.251 6.908 -6.011 1.00 1.08 C ATOM 0 H ILE A 119 54.206 5.556 -2.504 1.00 0.72 H new ATOM 0 HA ILE A 119 51.560 4.406 -3.171 1.00 0.84 H new ATOM 0 HB ILE A 119 54.243 4.708 -4.635 1.00 0.93 H new ATOM 0 HG12 ILE A 119 51.815 6.554 -4.436 1.00 1.00 H new ATOM 0 HG13 ILE A 119 53.434 6.896 -3.858 1.00 1.00 H new ATOM 0 HG21 ILE A 119 52.851 4.572 -6.680 1.00 1.06 H new ATOM 0 HG22 ILE A 119 52.684 3.100 -5.694 1.00 1.06 H new ATOM 0 HG23 ILE A 119 51.400 4.333 -5.678 1.00 1.06 H new ATOM 0 HD11 ILE A 119 53.041 7.977 -6.056 1.00 1.08 H new ATOM 0 HD12 ILE A 119 54.313 6.739 -6.188 1.00 1.08 H new ATOM 0 HD13 ILE A 119 52.669 6.391 -6.774 1.00 1.08 H new ATOM 550 N MET A 120 54.188 2.494 -2.802 1.00 0.82 N ATOM 551 CA MET A 120 54.567 1.058 -2.671 1.00 0.92 C ATOM 552 C MET A 120 53.686 0.374 -1.623 1.00 0.92 C ATOM 553 O MET A 120 53.272 -0.756 -1.788 1.00 1.01 O ATOM 554 CB MET A 120 56.027 1.075 -2.217 1.00 0.96 C ATOM 555 CG MET A 120 56.411 -0.303 -1.672 1.00 1.50 C ATOM 556 SD MET A 120 58.068 -0.225 -0.948 1.00 2.13 S ATOM 557 CE MET A 120 58.594 -1.896 -1.401 1.00 2.73 C ATOM 0 H MET A 120 54.937 3.160 -2.614 1.00 0.82 H new ATOM 0 HA MET A 120 54.437 0.508 -3.603 1.00 0.92 H new ATOM 0 HB2 MET A 120 56.675 1.340 -3.052 1.00 0.96 H new ATOM 0 HB3 MET A 120 56.171 1.834 -1.448 1.00 0.96 H new ATOM 0 HG2 MET A 120 55.689 -0.623 -0.921 1.00 1.50 H new ATOM 0 HG3 MET A 120 56.387 -1.042 -2.473 1.00 1.50 H new ATOM 0 HE1 MET A 120 59.232 -2.302 -0.616 1.00 2.73 H new ATOM 0 HE2 MET A 120 57.718 -2.533 -1.522 1.00 2.73 H new ATOM 0 HE3 MET A 120 59.149 -1.861 -2.338 1.00 2.73 H new ATOM 567 N LEU A 121 53.391 1.053 -0.548 1.00 0.88 N ATOM 568 CA LEU A 121 52.532 0.442 0.506 1.00 0.96 C ATOM 569 C LEU A 121 51.082 0.402 0.032 1.00 0.99 C ATOM 570 O LEU A 121 50.325 -0.472 0.398 1.00 1.12 O ATOM 571 CB LEU A 121 52.651 1.365 1.708 1.00 0.98 C ATOM 572 CG LEU A 121 54.126 1.592 2.048 1.00 1.19 C ATOM 573 CD1 LEU A 121 54.236 2.601 3.193 1.00 1.51 C ATOM 574 CD2 LEU A 121 54.757 0.267 2.479 1.00 1.81 C ATOM 0 H LEU A 121 53.707 2.003 -0.354 1.00 0.88 H new ATOM 0 HA LEU A 121 52.836 -0.578 0.740 1.00 0.96 H new ATOM 0 HB2 LEU A 121 52.167 2.318 1.495 1.00 0.98 H new ATOM 0 HB3 LEU A 121 52.135 0.930 2.564 1.00 0.98 H new ATOM 0 HG LEU A 121 54.646 1.977 1.171 1.00 1.19 H new ATOM 0 HD11 LEU A 121 55.286 2.763 3.436 1.00 1.51 H new ATOM 0 HD12 LEU A 121 53.784 3.545 2.890 1.00 1.51 H new ATOM 0 HD13 LEU A 121 53.717 2.214 4.070 1.00 1.51 H new ATOM 0 HD21 LEU A 121 55.808 0.426 2.722 1.00 1.81 H new ATOM 0 HD22 LEU A 121 54.236 -0.116 3.357 1.00 1.81 H new ATOM 0 HD23 LEU A 121 54.678 -0.455 1.666 1.00 1.81 H new ATOM 586 N GLN A 122 50.688 1.346 -0.775 1.00 0.95 N ATOM 587 CA GLN A 122 49.286 1.353 -1.269 1.00 1.05 C ATOM 588 C GLN A 122 49.064 0.140 -2.165 1.00 1.12 C ATOM 589 O GLN A 122 47.970 -0.374 -2.280 1.00 1.24 O ATOM 590 CB GLN A 122 49.146 2.648 -2.064 1.00 1.07 C ATOM 591 CG GLN A 122 48.098 3.533 -1.392 1.00 1.49 C ATOM 592 CD GLN A 122 47.952 4.839 -2.174 1.00 1.51 C ATOM 593 OE1 GLN A 122 46.885 5.152 -2.665 1.00 2.24 O ATOM 594 NE2 GLN A 122 48.988 5.621 -2.312 1.00 1.52 N ATOM 0 H GLN A 122 51.274 2.110 -1.112 1.00 0.95 H new ATOM 0 HA GLN A 122 48.554 1.303 -0.463 1.00 1.05 H new ATOM 0 HB2 GLN A 122 50.103 3.167 -2.110 1.00 1.07 H new ATOM 0 HB3 GLN A 122 48.852 2.430 -3.091 1.00 1.07 H new ATOM 0 HG2 GLN A 122 47.141 3.013 -1.351 1.00 1.49 H new ATOM 0 HG3 GLN A 122 48.391 3.744 -0.363 1.00 1.49 H new ATOM 0 HE21 GLN A 122 49.883 5.359 -1.900 1.00 1.52 H new ATOM 0 HE22 GLN A 122 48.902 6.494 -2.832 1.00 1.52 H new ATOM 603 N ALA A 123 50.106 -0.328 -2.790 1.00 1.11 N ATOM 604 CA ALA A 123 49.969 -1.520 -3.668 1.00 1.26 C ATOM 605 C ALA A 123 49.857 -2.774 -2.801 1.00 1.39 C ATOM 606 O ALA A 123 49.489 -3.834 -3.266 1.00 1.55 O ATOM 607 CB ALA A 123 51.250 -1.552 -4.502 1.00 1.31 C ATOM 0 H ALA A 123 51.046 0.063 -2.731 1.00 1.11 H new ATOM 0 HA ALA A 123 49.083 -1.479 -4.301 1.00 1.26 H new ATOM 0 HB1 ALA A 123 51.223 -2.407 -5.177 1.00 1.31 H new ATOM 0 HB2 ALA A 123 51.329 -0.633 -5.083 1.00 1.31 H new ATOM 0 HB3 ALA A 123 52.112 -1.638 -3.841 1.00 1.31 H new ATOM 682 N THR A 129 47.741 7.513 6.050 1.00 1.18 N ATOM 683 CA THR A 129 48.010 8.965 5.842 1.00 1.21 C ATOM 684 C THR A 129 49.514 9.239 5.919 1.00 1.10 C ATOM 685 O THR A 129 50.276 8.439 6.428 1.00 1.04 O ATOM 686 CB THR A 129 47.277 9.670 6.984 1.00 1.37 C ATOM 687 OG1 THR A 129 47.568 9.012 8.209 1.00 1.63 O ATOM 688 CG2 THR A 129 45.770 9.630 6.727 1.00 1.63 C ATOM 0 HA THR A 129 47.673 9.313 4.865 1.00 1.21 H new ATOM 0 HB THR A 129 47.606 10.708 7.041 1.00 1.37 H new ATOM 0 HG1 THR A 129 47.697 8.055 8.043 1.00 1.63 H new ATOM 0 HG21 THR A 129 45.249 10.133 7.542 1.00 1.63 H new ATOM 0 HG22 THR A 129 45.548 10.135 5.787 1.00 1.63 H new ATOM 0 HG23 THR A 129 45.438 8.593 6.669 1.00 1.63 H new ATOM 696 N GLU A 130 49.948 10.363 5.419 1.00 1.13 N ATOM 697 CA GLU A 130 51.403 10.687 5.462 1.00 1.09 C ATOM 698 C GLU A 130 51.905 10.680 6.908 1.00 1.03 C ATOM 699 O GLU A 130 53.089 10.587 7.164 1.00 0.98 O ATOM 700 CB GLU A 130 51.514 12.090 4.864 1.00 1.23 C ATOM 701 CG GLU A 130 50.489 13.011 5.531 1.00 1.68 C ATOM 702 CD GLU A 130 49.554 13.588 4.467 1.00 2.20 C ATOM 703 OE1 GLU A 130 48.874 12.809 3.820 1.00 2.66 O ATOM 704 OE2 GLU A 130 49.532 14.798 4.319 1.00 2.77 O ATOM 0 H GLU A 130 49.358 11.072 4.982 1.00 1.13 H new ATOM 0 HA GLU A 130 52.003 9.961 4.914 1.00 1.09 H new ATOM 0 HB2 GLU A 130 52.521 12.481 5.011 1.00 1.23 H new ATOM 0 HB3 GLU A 130 51.341 12.053 3.789 1.00 1.23 H new ATOM 0 HG2 GLU A 130 49.915 12.457 6.273 1.00 1.68 H new ATOM 0 HG3 GLU A 130 50.998 13.817 6.059 1.00 1.68 H new ATOM 711 N ASP A 131 51.013 10.777 7.856 1.00 1.08 N ATOM 712 CA ASP A 131 51.440 10.777 9.285 1.00 1.10 C ATOM 713 C ASP A 131 52.059 9.426 9.654 1.00 0.95 C ATOM 714 O ASP A 131 53.098 9.360 10.281 1.00 0.88 O ATOM 715 CB ASP A 131 50.157 11.015 10.081 1.00 1.27 C ATOM 716 CG ASP A 131 49.904 12.518 10.204 1.00 1.65 C ATOM 717 OD1 ASP A 131 50.662 13.172 10.901 1.00 2.09 O ATOM 718 OD2 ASP A 131 48.956 12.991 9.599 1.00 2.28 O ATOM 0 H ASP A 131 50.008 10.856 7.703 1.00 1.08 H new ATOM 0 HA ASP A 131 52.194 11.537 9.490 1.00 1.10 H new ATOM 0 HB2 ASP A 131 49.314 10.533 9.585 1.00 1.27 H new ATOM 0 HB3 ASP A 131 50.243 10.568 11.071 1.00 1.27 H new ATOM 723 N ASP A 132 51.429 8.349 9.272 1.00 0.96 N ATOM 724 CA ASP A 132 51.984 7.005 9.604 1.00 0.88 C ATOM 725 C ASP A 132 53.173 6.683 8.694 1.00 0.76 C ATOM 726 O ASP A 132 54.174 6.149 9.131 1.00 0.72 O ATOM 727 CB ASP A 132 50.836 6.027 9.351 1.00 0.99 C ATOM 728 CG ASP A 132 50.044 5.824 10.644 1.00 1.31 C ATOM 729 OD1 ASP A 132 50.409 6.427 11.641 1.00 1.95 O ATOM 730 OD2 ASP A 132 49.085 5.071 10.616 1.00 1.70 O ATOM 0 H ASP A 132 50.556 8.341 8.745 1.00 0.96 H new ATOM 0 HA ASP A 132 52.346 6.951 10.631 1.00 0.88 H new ATOM 0 HB2 ASP A 132 50.182 6.412 8.568 1.00 0.99 H new ATOM 0 HB3 ASP A 132 51.228 5.073 8.999 1.00 0.99 H new ATOM 735 N ILE A 133 53.070 7.002 7.434 1.00 0.78 N ATOM 736 CA ILE A 133 54.194 6.712 6.498 1.00 0.73 C ATOM 737 C ILE A 133 55.320 7.730 6.690 1.00 0.66 C ATOM 738 O ILE A 133 56.352 7.657 6.051 1.00 0.63 O ATOM 739 CB ILE A 133 53.587 6.841 5.101 1.00 0.84 C ATOM 740 CG1 ILE A 133 52.350 5.945 5.001 1.00 0.91 C ATOM 741 CG2 ILE A 133 54.615 6.408 4.055 1.00 1.14 C ATOM 742 CD1 ILE A 133 51.628 6.216 3.680 1.00 0.96 C ATOM 0 H ILE A 133 52.257 7.451 7.011 1.00 0.78 H new ATOM 0 HA ILE A 133 54.627 5.726 6.666 1.00 0.73 H new ATOM 0 HB ILE A 133 53.303 7.878 4.922 1.00 0.84 H new ATOM 0 HG12 ILE A 133 52.642 4.896 5.059 1.00 0.91 H new ATOM 0 HG13 ILE A 133 51.680 6.137 5.839 1.00 0.91 H new ATOM 0 HG21 ILE A 133 54.182 6.500 3.059 1.00 1.14 H new ATOM 0 HG22 ILE A 133 55.497 7.044 4.127 1.00 1.14 H new ATOM 0 HG23 ILE A 133 54.900 5.371 4.232 1.00 1.14 H new ATOM 0 HD11 ILE A 133 50.747 5.578 3.609 1.00 0.96 H new ATOM 0 HD12 ILE A 133 51.323 7.262 3.640 1.00 0.96 H new ATOM 0 HD13 ILE A 133 52.299 6.002 2.848 1.00 0.96 H new ATOM 754 N GLU A 134 55.134 8.679 7.566 1.00 0.73 N ATOM 755 CA GLU A 134 56.196 9.700 7.798 1.00 0.77 C ATOM 756 C GLU A 134 57.320 9.107 8.651 1.00 0.70 C ATOM 757 O GLU A 134 58.485 9.376 8.433 1.00 0.68 O ATOM 758 CB GLU A 134 55.497 10.836 8.545 1.00 0.96 C ATOM 759 CG GLU A 134 55.208 11.983 7.575 1.00 0.95 C ATOM 760 CD GLU A 134 56.147 13.153 7.873 1.00 1.60 C ATOM 761 OE1 GLU A 134 57.349 12.947 7.837 1.00 2.27 O ATOM 762 OE2 GLU A 134 55.648 14.236 8.135 1.00 2.07 O ATOM 0 H GLU A 134 54.293 8.792 8.131 1.00 0.73 H new ATOM 0 HA GLU A 134 56.650 10.043 6.869 1.00 0.77 H new ATOM 0 HB2 GLU A 134 54.568 10.477 8.987 1.00 0.96 H new ATOM 0 HB3 GLU A 134 56.125 11.188 9.364 1.00 0.96 H new ATOM 0 HG2 GLU A 134 55.344 11.647 6.547 1.00 0.95 H new ATOM 0 HG3 GLU A 134 54.170 12.302 7.672 1.00 0.95 H new ATOM 769 N GLU A 135 56.980 8.305 9.621 1.00 0.74 N ATOM 770 CA GLU A 135 58.029 7.696 10.489 1.00 0.76 C ATOM 771 C GLU A 135 58.641 6.473 9.801 1.00 0.66 C ATOM 772 O GLU A 135 59.736 6.053 10.118 1.00 0.74 O ATOM 773 CB GLU A 135 57.295 7.285 11.764 1.00 0.88 C ATOM 774 CG GLU A 135 56.497 8.475 12.299 1.00 1.20 C ATOM 775 CD GLU A 135 57.053 8.893 13.661 1.00 1.48 C ATOM 776 OE1 GLU A 135 58.147 9.431 13.693 1.00 2.16 O ATOM 777 OE2 GLU A 135 56.374 8.669 14.649 1.00 1.95 O ATOM 0 H GLU A 135 56.021 8.044 9.851 1.00 0.74 H new ATOM 0 HA GLU A 135 58.848 8.385 10.694 1.00 0.76 H new ATOM 0 HB2 GLU A 135 56.627 6.449 11.558 1.00 0.88 H new ATOM 0 HB3 GLU A 135 58.009 6.946 12.514 1.00 0.88 H new ATOM 0 HG2 GLU A 135 56.555 9.309 11.600 1.00 1.20 H new ATOM 0 HG3 GLU A 135 55.444 8.208 12.391 1.00 1.20 H new ATOM 784 N LEU A 136 57.942 5.898 8.861 1.00 0.62 N ATOM 785 CA LEU A 136 58.485 4.704 8.153 1.00 0.66 C ATOM 786 C LEU A 136 59.715 5.094 7.328 1.00 0.61 C ATOM 787 O LEU A 136 60.725 4.418 7.343 1.00 0.70 O ATOM 788 CB LEU A 136 57.351 4.237 7.241 1.00 0.77 C ATOM 789 CG LEU A 136 56.709 2.981 7.828 1.00 0.86 C ATOM 790 CD1 LEU A 136 57.693 1.813 7.731 1.00 1.63 C ATOM 791 CD2 LEU A 136 56.356 3.229 9.297 1.00 1.38 C ATOM 0 H LEU A 136 57.019 6.203 8.553 1.00 0.62 H new ATOM 0 HA LEU A 136 58.801 3.921 8.842 1.00 0.66 H new ATOM 0 HB2 LEU A 136 56.605 5.025 7.138 1.00 0.77 H new ATOM 0 HB3 LEU A 136 57.735 4.029 6.242 1.00 0.77 H new ATOM 0 HG LEU A 136 55.803 2.741 7.271 1.00 0.86 H new ATOM 0 HD11 LEU A 136 57.236 0.916 8.150 1.00 1.63 H new ATOM 0 HD12 LEU A 136 57.947 1.637 6.686 1.00 1.63 H new ATOM 0 HD13 LEU A 136 58.598 2.053 8.289 1.00 1.63 H new ATOM 0 HD21 LEU A 136 55.898 2.334 9.717 1.00 1.38 H new ATOM 0 HD22 LEU A 136 57.262 3.468 9.854 1.00 1.38 H new ATOM 0 HD23 LEU A 136 55.656 4.062 9.367 1.00 1.38 H new ATOM 803 N MET A 137 59.638 6.180 6.611 1.00 0.55 N ATOM 804 CA MET A 137 60.803 6.614 5.788 1.00 0.59 C ATOM 805 C MET A 137 61.922 7.133 6.694 1.00 0.65 C ATOM 806 O MET A 137 63.091 7.005 6.390 1.00 0.81 O ATOM 807 CB MET A 137 60.264 7.737 4.901 1.00 0.60 C ATOM 808 CG MET A 137 61.431 8.533 4.313 1.00 0.96 C ATOM 809 SD MET A 137 62.615 7.394 3.552 1.00 1.23 S ATOM 810 CE MET A 137 61.621 6.964 2.103 1.00 1.35 C ATOM 0 H MET A 137 58.819 6.786 6.559 1.00 0.55 H new ATOM 0 HA MET A 137 61.223 5.798 5.200 1.00 0.59 H new ATOM 0 HB2 MET A 137 59.655 7.320 4.099 1.00 0.60 H new ATOM 0 HB3 MET A 137 59.618 8.395 5.483 1.00 0.60 H new ATOM 0 HG2 MET A 137 61.064 9.242 3.571 1.00 0.96 H new ATOM 0 HG3 MET A 137 61.920 9.114 5.095 1.00 0.96 H new ATOM 0 HE1 MET A 137 62.267 6.887 1.228 1.00 1.35 H new ATOM 0 HE2 MET A 137 61.125 6.008 2.273 1.00 1.35 H new ATOM 0 HE3 MET A 137 60.871 7.737 1.934 1.00 1.35 H new ATOM 820 N LYS A 138 61.572 7.719 7.807 1.00 0.62 N ATOM 821 CA LYS A 138 62.615 8.246 8.733 1.00 0.79 C ATOM 822 C LYS A 138 63.486 7.100 9.257 1.00 0.86 C ATOM 823 O LYS A 138 64.692 7.107 9.109 1.00 1.16 O ATOM 824 CB LYS A 138 61.836 8.895 9.877 1.00 0.87 C ATOM 825 CG LYS A 138 62.806 9.630 10.804 1.00 1.55 C ATOM 826 CD LYS A 138 62.687 11.138 10.577 1.00 2.07 C ATOM 827 CE LYS A 138 62.994 11.877 11.881 1.00 2.85 C ATOM 828 NZ LYS A 138 63.935 12.966 11.494 1.00 3.36 N ATOM 0 H LYS A 138 60.609 7.856 8.115 1.00 0.62 H new ATOM 0 HA LYS A 138 63.284 8.953 8.243 1.00 0.79 H new ATOM 0 HB2 LYS A 138 61.098 9.592 9.479 1.00 0.87 H new ATOM 0 HB3 LYS A 138 61.288 8.135 10.435 1.00 0.87 H new ATOM 0 HG2 LYS A 138 62.584 9.390 11.844 1.00 1.55 H new ATOM 0 HG3 LYS A 138 63.828 9.302 10.612 1.00 1.55 H new ATOM 0 HD2 LYS A 138 63.378 11.454 9.796 1.00 2.07 H new ATOM 0 HD3 LYS A 138 61.683 11.387 10.234 1.00 2.07 H new ATOM 0 HE2 LYS A 138 62.086 12.281 12.329 1.00 2.85 H new ATOM 0 HE3 LYS A 138 63.443 11.210 12.617 1.00 2.85 H new ATOM 0 HZ1 LYS A 138 64.192 13.518 12.337 1.00 3.36 H new ATOM 0 HZ2 LYS A 138 64.793 12.552 11.076 1.00 3.36 H new ATOM 0 HZ3 LYS A 138 63.478 13.589 10.798 1.00 3.36 H new ATOM 842 N ASP A 139 62.883 6.116 9.867 1.00 0.71 N ATOM 843 CA ASP A 139 63.678 4.972 10.401 1.00 0.85 C ATOM 844 C ASP A 139 64.171 4.088 9.252 1.00 0.85 C ATOM 845 O ASP A 139 65.110 3.331 9.399 1.00 1.02 O ATOM 846 CB ASP A 139 62.709 4.201 11.296 1.00 0.97 C ATOM 847 CG ASP A 139 63.465 3.095 12.035 1.00 1.50 C ATOM 848 OD1 ASP A 139 64.684 3.102 11.982 1.00 2.33 O ATOM 849 OD2 ASP A 139 62.813 2.260 12.640 1.00 1.80 O ATOM 0 H ASP A 139 61.876 6.054 10.019 1.00 0.71 H new ATOM 0 HA ASP A 139 64.562 5.302 10.947 1.00 0.85 H new ATOM 0 HB2 ASP A 139 62.242 4.878 12.012 1.00 0.97 H new ATOM 0 HB3 ASP A 139 61.908 3.770 10.696 1.00 0.97 H new ATOM 854 N GLY A 140 63.546 4.178 8.110 1.00 0.81 N ATOM 855 CA GLY A 140 63.982 3.342 6.956 1.00 0.86 C ATOM 856 C GLY A 140 65.224 3.966 6.316 1.00 0.77 C ATOM 857 O GLY A 140 65.887 3.357 5.501 1.00 0.86 O ATOM 0 H GLY A 140 62.753 4.793 7.926 1.00 0.81 H new ATOM 0 HA2 GLY A 140 64.202 2.328 7.290 1.00 0.86 H new ATOM 0 HA3 GLY A 140 63.179 3.269 6.222 1.00 0.86 H new ATOM 861 N ASP A 141 65.544 5.179 6.679 1.00 0.70 N ATOM 862 CA ASP A 141 66.743 5.841 6.091 1.00 0.66 C ATOM 863 C ASP A 141 67.990 5.507 6.915 1.00 0.74 C ATOM 864 O ASP A 141 68.118 5.907 8.055 1.00 0.87 O ATOM 865 CB ASP A 141 66.441 7.339 6.159 1.00 0.66 C ATOM 866 CG ASP A 141 66.877 8.009 4.855 1.00 0.76 C ATOM 867 OD1 ASP A 141 67.983 7.741 4.416 1.00 0.92 O ATOM 868 OD2 ASP A 141 66.098 8.780 4.318 1.00 0.83 O ATOM 0 H ASP A 141 65.027 5.739 7.357 1.00 0.70 H new ATOM 0 HA ASP A 141 66.939 5.510 5.071 1.00 0.66 H new ATOM 0 HB2 ASP A 141 65.375 7.498 6.323 1.00 0.66 H new ATOM 0 HB3 ASP A 141 66.964 7.788 7.003 1.00 0.66 H new ATOM 873 N LYS A 142 68.909 4.776 6.347 1.00 0.75 N ATOM 874 CA LYS A 142 70.147 4.418 7.098 1.00 0.87 C ATOM 875 C LYS A 142 70.989 5.669 7.359 1.00 0.89 C ATOM 876 O LYS A 142 71.836 5.688 8.230 1.00 1.05 O ATOM 877 CB LYS A 142 70.896 3.445 6.186 1.00 0.89 C ATOM 878 CG LYS A 142 71.905 2.644 7.011 1.00 1.24 C ATOM 879 CD LYS A 142 72.720 1.740 6.085 1.00 1.26 C ATOM 880 CE LYS A 142 73.965 1.240 6.822 1.00 1.55 C ATOM 881 NZ LYS A 142 75.052 1.272 5.805 1.00 1.99 N ATOM 0 H LYS A 142 68.857 4.411 5.396 1.00 0.75 H new ATOM 0 HA LYS A 142 69.927 3.977 8.070 1.00 0.87 H new ATOM 0 HB2 LYS A 142 70.191 2.771 5.700 1.00 0.89 H new ATOM 0 HB3 LYS A 142 71.410 3.993 5.396 1.00 0.89 H new ATOM 0 HG2 LYS A 142 72.567 3.320 7.551 1.00 1.24 H new ATOM 0 HG3 LYS A 142 71.385 2.043 7.757 1.00 1.24 H new ATOM 0 HD2 LYS A 142 72.114 0.895 5.759 1.00 1.26 H new ATOM 0 HD3 LYS A 142 73.011 2.288 5.189 1.00 1.26 H new ATOM 0 HE2 LYS A 142 74.202 1.877 7.674 1.00 1.55 H new ATOM 0 HE3 LYS A 142 73.816 0.232 7.210 1.00 1.55 H new ATOM 0 HZ1 LYS A 142 75.940 0.942 6.235 1.00 1.99 H new ATOM 0 HZ2 LYS A 142 74.801 0.651 5.009 1.00 1.99 H new ATOM 0 HZ3 LYS A 142 75.175 2.245 5.459 1.00 1.99 H new ATOM 895 N ASN A 143 70.764 6.715 6.612 1.00 0.85 N ATOM 896 CA ASN A 143 71.553 7.964 6.819 1.00 1.05 C ATOM 897 C ASN A 143 70.620 9.176 6.869 1.00 1.07 C ATOM 898 O ASN A 143 71.059 10.309 6.902 1.00 1.56 O ATOM 899 CB ASN A 143 72.487 8.049 5.611 1.00 1.08 C ATOM 900 CG ASN A 143 71.682 8.433 4.368 1.00 1.05 C ATOM 901 OD1 ASN A 143 70.529 8.071 4.241 1.00 0.98 O ATOM 902 ND2 ASN A 143 72.245 9.154 3.439 1.00 1.48 N ATOM 0 H ASN A 143 70.068 6.759 5.867 1.00 0.85 H new ATOM 0 HA ASN A 143 72.106 7.953 7.758 1.00 1.05 H new ATOM 0 HB2 ASN A 143 73.268 8.787 5.793 1.00 1.08 H new ATOM 0 HB3 ASN A 143 72.984 7.091 5.454 1.00 1.08 H new ATOM 0 HD21 ASN A 143 71.718 9.414 2.606 1.00 1.48 H new ATOM 0 HD22 ASN A 143 73.213 9.458 3.546 1.00 1.48 H new ATOM 909 N ASN A 144 69.335 8.947 6.876 1.00 0.78 N ATOM 910 CA ASN A 144 68.373 10.085 6.927 1.00 0.82 C ATOM 911 C ASN A 144 68.748 11.149 5.892 1.00 0.82 C ATOM 912 O ASN A 144 69.221 12.215 6.230 1.00 0.92 O ATOM 913 CB ASN A 144 68.499 10.649 8.343 1.00 0.95 C ATOM 914 CG ASN A 144 67.729 9.758 9.320 1.00 1.47 C ATOM 915 OD1 ASN A 144 66.601 10.048 9.665 1.00 2.28 O ATOM 916 ND2 ASN A 144 68.296 8.679 9.785 1.00 1.93 N ATOM 0 H ASN A 144 68.909 8.020 6.849 1.00 0.78 H new ATOM 0 HA ASN A 144 67.354 9.770 6.701 1.00 0.82 H new ATOM 0 HB2 ASN A 144 69.549 10.701 8.632 1.00 0.95 H new ATOM 0 HB3 ASN A 144 68.108 11.666 8.377 1.00 0.95 H new ATOM 0 HD21 ASN A 144 67.792 8.079 10.438 1.00 1.93 H new ATOM 0 HD22 ASN A 144 69.243 8.435 9.495 1.00 1.93 H new ATOM 923 N ASP A 145 68.539 10.870 4.634 1.00 0.75 N ATOM 924 CA ASP A 145 68.884 11.870 3.583 1.00 0.78 C ATOM 925 C ASP A 145 67.653 12.190 2.730 1.00 0.74 C ATOM 926 O ASP A 145 67.610 13.186 2.036 1.00 0.81 O ATOM 927 CB ASP A 145 69.966 11.200 2.737 1.00 0.76 C ATOM 928 CG ASP A 145 69.340 10.088 1.893 1.00 1.12 C ATOM 929 OD1 ASP A 145 68.367 9.506 2.344 1.00 1.72 O ATOM 930 OD2 ASP A 145 69.844 9.838 0.810 1.00 1.85 O ATOM 0 H ASP A 145 68.145 9.995 4.289 1.00 0.75 H new ATOM 0 HA ASP A 145 69.227 12.813 4.008 1.00 0.78 H new ATOM 0 HB2 ASP A 145 70.444 11.936 2.091 1.00 0.76 H new ATOM 0 HB3 ASP A 145 70.743 10.788 3.381 1.00 0.76 H new ATOM 935 N GLY A 146 66.652 11.354 2.776 1.00 0.69 N ATOM 936 CA GLY A 146 65.427 11.612 1.968 1.00 0.70 C ATOM 937 C GLY A 146 65.262 10.509 0.922 1.00 0.58 C ATOM 938 O GLY A 146 64.178 10.004 0.703 1.00 0.62 O ATOM 0 H GLY A 146 66.630 10.503 3.338 1.00 0.69 H new ATOM 0 HA2 GLY A 146 64.552 11.646 2.617 1.00 0.70 H new ATOM 0 HA3 GLY A 146 65.499 12.583 1.479 1.00 0.70 H new ATOM 942 N ARG A 147 66.328 10.130 0.271 1.00 0.54 N ATOM 943 CA ARG A 147 66.228 9.059 -0.762 1.00 0.49 C ATOM 944 C ARG A 147 66.675 7.717 -0.180 1.00 0.44 C ATOM 945 O ARG A 147 67.478 7.659 0.730 1.00 0.56 O ATOM 946 CB ARG A 147 67.175 9.491 -1.882 1.00 0.57 C ATOM 947 CG ARG A 147 66.793 10.892 -2.362 1.00 0.78 C ATOM 948 CD ARG A 147 66.897 10.956 -3.887 1.00 0.73 C ATOM 949 NE ARG A 147 68.276 11.447 -4.157 1.00 1.07 N ATOM 950 CZ ARG A 147 68.500 12.727 -4.286 1.00 1.60 C ATOM 951 NH1 ARG A 147 67.595 13.588 -3.910 1.00 2.32 N ATOM 952 NH2 ARG A 147 69.630 13.145 -4.788 1.00 2.22 N ATOM 0 H ARG A 147 67.262 10.515 0.409 1.00 0.54 H new ATOM 0 HA ARG A 147 65.206 8.930 -1.118 1.00 0.49 H new ATOM 0 HB2 ARG A 147 68.205 9.486 -1.524 1.00 0.57 H new ATOM 0 HB3 ARG A 147 67.122 8.784 -2.710 1.00 0.57 H new ATOM 0 HG2 ARG A 147 65.778 11.132 -2.046 1.00 0.78 H new ATOM 0 HG3 ARG A 147 67.451 11.634 -1.911 1.00 0.78 H new ATOM 0 HD2 ARG A 147 66.732 9.976 -4.336 1.00 0.73 H new ATOM 0 HD3 ARG A 147 66.149 11.629 -4.306 1.00 0.73 H new ATOM 0 HE ARG A 147 69.046 10.784 -4.241 1.00 1.07 H new ATOM 0 HH11 ARG A 147 66.713 13.261 -3.515 1.00 2.32 H new ATOM 0 HH12 ARG A 147 67.769 14.588 -4.011 1.00 2.32 H new ATOM 0 HH21 ARG A 147 70.339 12.472 -5.080 1.00 2.22 H new ATOM 0 HH22 ARG A 147 69.805 14.145 -4.889 1.00 2.22 H new ATOM 966 N ILE A 148 66.164 6.640 -0.704 1.00 0.35 N ATOM 967 CA ILE A 148 66.560 5.298 -0.193 1.00 0.36 C ATOM 968 C ILE A 148 67.073 4.440 -1.353 1.00 0.40 C ATOM 969 O ILE A 148 66.403 4.265 -2.353 1.00 0.41 O ATOM 970 CB ILE A 148 65.279 4.711 0.412 1.00 0.35 C ATOM 971 CG1 ILE A 148 65.129 5.218 1.851 1.00 0.40 C ATOM 972 CG2 ILE A 148 65.353 3.180 0.416 1.00 0.43 C ATOM 973 CD1 ILE A 148 63.962 4.501 2.532 1.00 0.40 C ATOM 0 H ILE A 148 65.487 6.630 -1.467 1.00 0.35 H new ATOM 0 HA ILE A 148 67.361 5.342 0.545 1.00 0.36 H new ATOM 0 HB ILE A 148 64.422 5.022 -0.185 1.00 0.35 H new ATOM 0 HG12 ILE A 148 66.050 5.042 2.406 1.00 0.40 H new ATOM 0 HG13 ILE A 148 64.957 6.294 1.851 1.00 0.40 H new ATOM 0 HG21 ILE A 148 64.439 2.773 0.848 1.00 0.43 H new ATOM 0 HG22 ILE A 148 65.464 2.818 -0.606 1.00 0.43 H new ATOM 0 HG23 ILE A 148 66.209 2.859 1.010 1.00 0.43 H new ATOM 0 HD11 ILE A 148 63.859 4.864 3.555 1.00 0.40 H new ATOM 0 HD12 ILE A 148 63.042 4.699 1.982 1.00 0.40 H new ATOM 0 HD13 ILE A 148 64.152 3.428 2.546 1.00 0.40 H new ATOM 985 N ASP A 149 68.259 3.911 -1.233 1.00 0.47 N ATOM 986 CA ASP A 149 68.813 3.072 -2.334 1.00 0.55 C ATOM 987 C ASP A 149 68.684 1.586 -1.991 1.00 0.58 C ATOM 988 O ASP A 149 68.036 1.212 -1.034 1.00 0.54 O ATOM 989 CB ASP A 149 70.285 3.476 -2.453 1.00 0.65 C ATOM 990 CG ASP A 149 70.934 3.492 -1.068 1.00 1.32 C ATOM 991 OD1 ASP A 149 70.837 4.509 -0.402 1.00 2.00 O ATOM 992 OD2 ASP A 149 71.520 2.489 -0.698 1.00 2.16 O ATOM 0 H ASP A 149 68.868 4.023 -0.422 1.00 0.47 H new ATOM 0 HA ASP A 149 68.278 3.225 -3.271 1.00 0.55 H new ATOM 0 HB2 ASP A 149 70.812 2.777 -3.103 1.00 0.65 H new ATOM 0 HB3 ASP A 149 70.365 4.461 -2.913 1.00 0.65 H new ATOM 997 N TYR A 150 69.292 0.737 -2.772 1.00 0.67 N ATOM 998 CA TYR A 150 69.202 -0.729 -2.503 1.00 0.73 C ATOM 999 C TYR A 150 69.902 -1.081 -1.186 1.00 0.75 C ATOM 1000 O TYR A 150 69.604 -2.080 -0.564 1.00 0.76 O ATOM 1001 CB TYR A 150 69.918 -1.390 -3.682 1.00 0.84 C ATOM 1002 CG TYR A 150 69.886 -2.890 -3.516 1.00 0.97 C ATOM 1003 CD1 TYR A 150 68.712 -3.525 -3.094 1.00 1.74 C ATOM 1004 CD2 TYR A 150 71.034 -3.648 -3.785 1.00 1.63 C ATOM 1005 CE1 TYR A 150 68.685 -4.917 -2.941 1.00 2.14 C ATOM 1006 CE2 TYR A 150 71.006 -5.039 -3.632 1.00 2.06 C ATOM 1007 CZ TYR A 150 69.831 -5.673 -3.209 1.00 2.02 C ATOM 1008 OH TYR A 150 69.803 -7.044 -3.058 1.00 2.63 O ATOM 0 H TYR A 150 69.849 0.994 -3.587 1.00 0.67 H new ATOM 0 HA TYR A 150 68.169 -1.064 -2.407 1.00 0.73 H new ATOM 0 HB2 TYR A 150 69.437 -1.107 -4.618 1.00 0.84 H new ATOM 0 HB3 TYR A 150 70.949 -1.042 -3.736 1.00 0.84 H new ATOM 0 HD1 TYR A 150 67.827 -2.942 -2.886 1.00 1.74 H new ATOM 0 HD2 TYR A 150 71.940 -3.159 -4.110 1.00 1.63 H new ATOM 0 HE1 TYR A 150 67.779 -5.407 -2.616 1.00 2.14 H new ATOM 0 HE2 TYR A 150 71.890 -5.623 -3.840 1.00 2.06 H new ATOM 0 HH TYR A 150 70.680 -7.416 -3.286 1.00 2.63 H new ATOM 1018 N ASP A 151 70.834 -0.273 -0.759 1.00 0.78 N ATOM 1019 CA ASP A 151 71.550 -0.571 0.515 1.00 0.82 C ATOM 1020 C ASP A 151 70.686 -0.178 1.717 1.00 0.74 C ATOM 1021 O ASP A 151 70.315 -1.006 2.524 1.00 0.76 O ATOM 1022 CB ASP A 151 72.822 0.280 0.467 1.00 0.87 C ATOM 1023 CG ASP A 151 73.452 0.183 -0.924 1.00 1.31 C ATOM 1024 OD1 ASP A 151 73.398 -0.890 -1.504 1.00 2.08 O ATOM 1025 OD2 ASP A 151 73.978 1.182 -1.385 1.00 1.67 O ATOM 0 H ASP A 151 71.130 0.579 -1.236 1.00 0.78 H new ATOM 0 HA ASP A 151 71.774 -1.633 0.621 1.00 0.82 H new ATOM 0 HB2 ASP A 151 72.586 1.319 0.699 1.00 0.87 H new ATOM 0 HB3 ASP A 151 73.529 -0.062 1.222 1.00 0.87 H new ATOM 1030 N GLU A 152 70.367 1.082 1.844 1.00 0.67 N ATOM 1031 CA GLU A 152 69.529 1.528 2.996 1.00 0.61 C ATOM 1032 C GLU A 152 68.197 0.773 3.011 1.00 0.58 C ATOM 1033 O GLU A 152 67.693 0.405 4.055 1.00 0.58 O ATOM 1034 CB GLU A 152 69.292 3.020 2.758 1.00 0.59 C ATOM 1035 CG GLU A 152 70.636 3.744 2.660 1.00 0.76 C ATOM 1036 CD GLU A 152 70.432 5.235 2.927 1.00 0.75 C ATOM 1037 OE1 GLU A 152 69.627 5.559 3.785 1.00 1.39 O ATOM 1038 OE2 GLU A 152 71.085 6.030 2.270 1.00 1.20 O ATOM 0 H GLU A 152 70.650 1.822 1.201 1.00 0.67 H new ATOM 0 HA GLU A 152 70.013 1.336 3.954 1.00 0.61 H new ATOM 0 HB2 GLU A 152 68.721 3.166 1.841 1.00 0.59 H new ATOM 0 HB3 GLU A 152 68.700 3.439 3.572 1.00 0.59 H new ATOM 0 HG2 GLU A 152 71.339 3.327 3.381 1.00 0.76 H new ATOM 0 HG3 GLU A 152 71.069 3.597 1.671 1.00 0.76 H new ATOM 1045 N PHE A 153 67.620 0.542 1.864 1.00 0.60 N ATOM 1046 CA PHE A 153 66.317 -0.185 1.815 1.00 0.61 C ATOM 1047 C PHE A 153 66.463 -1.580 2.428 1.00 0.66 C ATOM 1048 O PHE A 153 65.561 -2.083 3.070 1.00 0.71 O ATOM 1049 CB PHE A 153 65.976 -0.285 0.330 1.00 0.64 C ATOM 1050 CG PHE A 153 64.749 -1.148 0.151 1.00 0.68 C ATOM 1051 CD1 PHE A 153 64.857 -2.542 0.230 1.00 1.47 C ATOM 1052 CD2 PHE A 153 63.506 -0.554 -0.093 1.00 1.18 C ATOM 1053 CE1 PHE A 153 63.720 -3.341 0.065 1.00 1.55 C ATOM 1054 CE2 PHE A 153 62.369 -1.354 -0.258 1.00 1.24 C ATOM 1055 CZ PHE A 153 62.476 -2.748 -0.179 1.00 0.93 C ATOM 0 H PHE A 153 67.993 0.825 0.958 1.00 0.60 H new ATOM 0 HA PHE A 153 65.538 0.327 2.379 1.00 0.61 H new ATOM 0 HB2 PHE A 153 65.798 0.709 -0.081 1.00 0.64 H new ATOM 0 HB3 PHE A 153 66.816 -0.711 -0.219 1.00 0.64 H new ATOM 0 HD1 PHE A 153 65.817 -3.000 0.418 1.00 1.47 H new ATOM 0 HD2 PHE A 153 63.424 0.521 -0.154 1.00 1.18 H new ATOM 0 HE1 PHE A 153 63.803 -4.416 0.126 1.00 1.55 H new ATOM 0 HE2 PHE A 153 61.409 -0.896 -0.446 1.00 1.24 H new ATOM 0 HZ PHE A 153 61.599 -3.365 -0.306 1.00 0.93 H new ATOM 1065 N LEU A 154 67.588 -2.210 2.236 1.00 0.72 N ATOM 1066 CA LEU A 154 67.786 -3.573 2.808 1.00 0.80 C ATOM 1067 C LEU A 154 67.475 -3.569 4.306 1.00 0.79 C ATOM 1068 O LEU A 154 66.805 -4.447 4.813 1.00 0.82 O ATOM 1069 CB LEU A 154 69.262 -3.891 2.568 1.00 0.92 C ATOM 1070 CG LEU A 154 69.380 -5.040 1.566 1.00 0.85 C ATOM 1071 CD1 LEU A 154 68.488 -6.200 2.012 1.00 1.74 C ATOM 1072 CD2 LEU A 154 68.935 -4.557 0.184 1.00 1.54 C ATOM 0 H LEU A 154 68.379 -1.841 1.708 1.00 0.72 H new ATOM 0 HA LEU A 154 67.129 -4.313 2.350 1.00 0.80 H new ATOM 0 HB2 LEU A 154 69.778 -3.009 2.188 1.00 0.92 H new ATOM 0 HB3 LEU A 154 69.744 -4.163 3.507 1.00 0.92 H new ATOM 0 HG LEU A 154 70.416 -5.376 1.518 1.00 0.85 H new ATOM 0 HD11 LEU A 154 68.572 -7.019 1.298 1.00 1.74 H new ATOM 0 HD12 LEU A 154 68.804 -6.544 2.997 1.00 1.74 H new ATOM 0 HD13 LEU A 154 67.452 -5.865 2.059 1.00 1.74 H new ATOM 0 HD21 LEU A 154 69.019 -5.375 -0.532 1.00 1.54 H new ATOM 0 HD22 LEU A 154 67.899 -4.221 0.232 1.00 1.54 H new ATOM 0 HD23 LEU A 154 69.570 -3.730 -0.134 1.00 1.54 H new ATOM 1084 N GLU A 155 67.958 -2.588 5.019 1.00 0.79 N ATOM 1085 CA GLU A 155 67.691 -2.531 6.486 1.00 0.82 C ATOM 1086 C GLU A 155 66.259 -2.058 6.747 1.00 0.81 C ATOM 1087 O GLU A 155 65.529 -2.650 7.516 1.00 0.90 O ATOM 1088 CB GLU A 155 68.696 -1.516 7.031 1.00 0.85 C ATOM 1089 CG GLU A 155 69.937 -2.249 7.541 1.00 0.95 C ATOM 1090 CD GLU A 155 70.741 -1.319 8.453 1.00 1.67 C ATOM 1091 OE1 GLU A 155 70.158 -0.785 9.382 1.00 2.27 O ATOM 1092 OE2 GLU A 155 71.924 -1.156 8.205 1.00 2.47 O ATOM 0 H GLU A 155 68.525 -1.824 4.651 1.00 0.79 H new ATOM 0 HA GLU A 155 67.795 -3.506 6.962 1.00 0.82 H new ATOM 0 HB2 GLU A 155 68.974 -0.809 6.250 1.00 0.85 H new ATOM 0 HB3 GLU A 155 68.245 -0.939 7.838 1.00 0.85 H new ATOM 0 HG2 GLU A 155 69.644 -3.146 8.086 1.00 0.95 H new ATOM 0 HG3 GLU A 155 70.552 -2.573 6.701 1.00 0.95 H new ATOM 1099 N PHE A 156 65.850 -0.992 6.113 1.00 0.75 N ATOM 1100 CA PHE A 156 64.467 -0.480 6.328 1.00 0.78 C ATOM 1101 C PHE A 156 63.460 -1.636 6.309 1.00 0.84 C ATOM 1102 O PHE A 156 62.470 -1.619 7.013 1.00 0.90 O ATOM 1103 CB PHE A 156 64.212 0.475 5.160 1.00 0.78 C ATOM 1104 CG PHE A 156 62.799 1.011 5.233 1.00 0.85 C ATOM 1105 CD1 PHE A 156 62.099 0.993 6.447 1.00 1.66 C ATOM 1106 CD2 PHE A 156 62.189 1.527 4.083 1.00 1.27 C ATOM 1107 CE1 PHE A 156 60.792 1.491 6.510 1.00 1.77 C ATOM 1108 CE2 PHE A 156 60.882 2.024 4.146 1.00 1.31 C ATOM 1109 CZ PHE A 156 60.183 2.006 5.359 1.00 1.10 C ATOM 0 H PHE A 156 66.414 -0.454 5.455 1.00 0.75 H new ATOM 0 HA PHE A 156 64.357 0.016 7.292 1.00 0.78 H new ATOM 0 HB2 PHE A 156 64.925 1.299 5.190 1.00 0.78 H new ATOM 0 HB3 PHE A 156 64.365 -0.044 4.214 1.00 0.78 H new ATOM 0 HD1 PHE A 156 62.568 0.595 7.335 1.00 1.66 H new ATOM 0 HD2 PHE A 156 62.727 1.542 3.147 1.00 1.27 H new ATOM 0 HE1 PHE A 156 60.254 1.478 7.446 1.00 1.77 H new ATOM 0 HE2 PHE A 156 60.412 2.422 3.258 1.00 1.31 H new ATOM 0 HZ PHE A 156 59.174 2.389 5.407 1.00 1.10 H new ATOM 1119 N MET A 157 63.703 -2.638 5.508 1.00 0.86 N ATOM 1120 CA MET A 157 62.755 -3.788 5.447 1.00 0.95 C ATOM 1121 C MET A 157 63.176 -4.886 6.429 1.00 0.99 C ATOM 1122 O MET A 157 62.352 -5.598 6.966 1.00 1.12 O ATOM 1123 CB MET A 157 62.842 -4.298 4.007 1.00 0.99 C ATOM 1124 CG MET A 157 61.576 -5.087 3.667 1.00 1.28 C ATOM 1125 SD MET A 157 60.131 -4.006 3.819 1.00 1.48 S ATOM 1126 CE MET A 157 60.225 -3.270 2.170 1.00 1.12 C ATOM 0 H MET A 157 64.515 -2.710 4.895 1.00 0.86 H new ATOM 0 HA MET A 157 61.741 -3.495 5.719 1.00 0.95 H new ATOM 0 HB2 MET A 157 62.956 -3.460 3.320 1.00 0.99 H new ATOM 0 HB3 MET A 157 63.721 -4.931 3.887 1.00 0.99 H new ATOM 0 HG2 MET A 157 61.642 -5.482 2.653 1.00 1.28 H new ATOM 0 HG3 MET A 157 61.476 -5.941 4.337 1.00 1.28 H new ATOM 0 HE1 MET A 157 59.256 -2.847 1.905 1.00 1.12 H new ATOM 0 HE2 MET A 157 60.979 -2.483 2.165 1.00 1.12 H new ATOM 0 HE3 MET A 157 60.497 -4.037 1.444 1.00 1.12 H new ATOM 1136 N LYS A 158 64.451 -5.035 6.663 1.00 0.94 N ATOM 1137 CA LYS A 158 64.917 -6.093 7.606 1.00 1.02 C ATOM 1138 C LYS A 158 64.365 -5.841 9.012 1.00 1.05 C ATOM 1139 O LYS A 158 64.136 -6.760 9.772 1.00 1.20 O ATOM 1140 CB LYS A 158 66.442 -5.987 7.601 1.00 1.07 C ATOM 1141 CG LYS A 158 67.047 -7.322 8.040 1.00 1.26 C ATOM 1142 CD LYS A 158 68.509 -7.394 7.594 1.00 1.53 C ATOM 1143 CE LYS A 158 68.637 -8.361 6.414 1.00 1.45 C ATOM 1144 NZ LYS A 158 69.236 -7.553 5.317 1.00 2.07 N ATOM 0 H LYS A 158 65.190 -4.471 6.243 1.00 0.94 H new ATOM 0 HA LYS A 158 64.576 -7.085 7.309 1.00 1.02 H new ATOM 0 HB2 LYS A 158 66.796 -5.726 6.604 1.00 1.07 H new ATOM 0 HB3 LYS A 158 66.764 -5.191 8.272 1.00 1.07 H new ATOM 0 HG2 LYS A 158 66.981 -7.424 9.123 1.00 1.26 H new ATOM 0 HG3 LYS A 158 66.483 -8.148 7.607 1.00 1.26 H new ATOM 0 HD2 LYS A 158 68.861 -6.404 7.306 1.00 1.53 H new ATOM 0 HD3 LYS A 158 69.136 -7.728 8.421 1.00 1.53 H new ATOM 0 HE2 LYS A 158 69.269 -9.212 6.668 1.00 1.45 H new ATOM 0 HE3 LYS A 158 67.665 -8.761 6.124 1.00 1.45 H new ATOM 0 HZ1 LYS A 158 69.261 -8.118 4.444 1.00 2.07 H new ATOM 0 HZ2 LYS A 158 68.662 -6.700 5.161 1.00 2.07 H new ATOM 0 HZ3 LYS A 158 70.204 -7.276 5.578 1.00 2.07 H new