USER MOD reduce.3.24.130724 H: found=0, std=0, add=557, rem=0, adj=11 USER MOD reduce.3.24.130724 removed 559 hydrogens (23 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 NoAdj-H: A 107 ASNHD21 : A 107 ASN ND2 : A 2 CACA :(H bumps) USER MOD Single : A 92 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 93 SER OG : rot 180:sc= -1.54! USER MOD Single : A 98 SER OG : rot -82:sc= -0.194 USER MOD Single : A 103 MET CE :methyl 143:sc= -0.401 (180deg=-2.09!) USER MOD Single : A 106 LYS NZ :NH3+ 180:sc= 0 (180deg=0) 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 -128:sc= -0.141 (180deg=-1.78!) USER MOD Single : A 122 GLN : amide:sc= -0.382 X(o=-0.38,f=-0.76) USER MOD Single : A 124 THR OG1 : rot -1:sc= 0.392 USER MOD Single : A 127 THR OG1 : rot 180:sc= 0 USER MOD Single : A 129 THR OG1 : rot 180:sc= 0.0922 USER MOD Single : A 137 MET CE :methyl -178:sc= -6.86! (180deg=-7.13!) 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= -0.317 K(o=-0.32,f=-2!) USER MOD Single : A 144 ASN : amide:sc= -0.512 X(o=-0.51,f=-0.71) USER MOD Single : A 150 TYR OH : rot 180:sc= 0 USER MOD Single : A 157 MET CE :methyl 179:sc= -0.354 (180deg=-0.358) USER MOD Single : A 158 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD ----------------------------------------------------------------- ATOM 1 N GLY A 91 52.631 10.462 19.439 1.00 0.00 N ATOM 2 CA GLY A 91 53.449 10.162 18.267 1.00 0.00 C ATOM 3 C GLY A 91 53.161 8.756 17.753 1.00 0.00 C ATOM 4 O GLY A 91 52.156 8.141 18.111 1.00 0.00 O ATOM 0 HA2 GLY A 91 53.248 10.890 17.481 1.00 0.00 H new ATOM 0 HA3 GLY A 91 54.505 10.252 18.522 1.00 0.00 H new ATOM 8 N LYS A 92 54.057 8.254 16.908 1.00 0.00 N ATOM 9 CA LYS A 92 53.896 6.915 16.346 1.00 0.00 C ATOM 10 C LYS A 92 55.181 6.111 16.519 1.00 0.00 C ATOM 11 O LYS A 92 56.278 6.669 16.559 1.00 0.00 O ATOM 12 CB LYS A 92 53.554 6.994 14.856 1.00 0.00 C ATOM 13 CG LYS A 92 52.428 8.008 14.642 1.00 0.00 C ATOM 14 CD LYS A 92 52.222 8.233 13.142 1.00 0.00 C ATOM 15 CE LYS A 92 51.274 7.167 12.590 1.00 0.00 C ATOM 16 NZ LYS A 92 49.919 7.757 12.397 1.00 0.00 N ATOM 0 H LYS A 92 54.894 8.748 16.599 1.00 0.00 H new ATOM 0 HA LYS A 92 53.082 6.422 16.877 1.00 0.00 H new ATOM 0 HB2 LYS A 92 54.435 7.288 14.285 1.00 0.00 H new ATOM 0 HB3 LYS A 92 53.249 6.014 14.490 1.00 0.00 H new ATOM 0 HG2 LYS A 92 51.506 7.645 15.096 1.00 0.00 H new ATOM 0 HG3 LYS A 92 52.675 8.950 15.131 1.00 0.00 H new ATOM 0 HD2 LYS A 92 51.810 9.227 12.966 1.00 0.00 H new ATOM 0 HD3 LYS A 92 53.179 8.188 12.622 1.00 0.00 H new ATOM 0 HE2 LYS A 92 51.653 6.783 11.643 1.00 0.00 H new ATOM 0 HE3 LYS A 92 51.220 6.323 13.277 1.00 0.00 H new ATOM 0 HZ1 LYS A 92 49.275 7.032 12.022 1.00 0.00 H new ATOM 0 HZ2 LYS A 92 49.558 8.103 13.309 1.00 0.00 H new ATOM 0 HZ3 LYS A 92 49.978 8.549 11.725 1.00 0.00 H new ATOM 30 N SER A 93 55.034 4.793 16.623 1.00 0.00 N ATOM 31 CA SER A 93 56.192 3.920 16.795 1.00 0.00 C ATOM 32 C SER A 93 55.783 2.456 16.651 1.00 0.00 C ATOM 33 O SER A 93 54.786 2.137 16.005 1.00 0.00 O ATOM 34 CB SER A 93 56.818 4.131 18.173 1.00 0.00 C ATOM 35 OG SER A 93 56.289 5.317 18.752 1.00 0.00 O ATOM 0 H SER A 93 54.136 4.310 16.592 1.00 0.00 H new ATOM 0 HA SER A 93 56.920 4.169 16.023 1.00 0.00 H new ATOM 0 HB2 SER A 93 56.610 3.275 18.815 1.00 0.00 H new ATOM 0 HB3 SER A 93 57.902 4.207 18.085 1.00 0.00 H new ATOM 0 HG SER A 93 56.687 5.455 19.637 1.00 0.00 H new ATOM 41 N GLU A 94 56.573 1.573 17.262 1.00 0.00 N ATOM 42 CA GLU A 94 56.301 0.136 17.205 1.00 0.00 C ATOM 43 C GLU A 94 54.799 -0.133 17.173 1.00 0.00 C ATOM 44 O GLU A 94 54.339 -1.089 16.550 1.00 0.00 O ATOM 45 CB GLU A 94 56.902 -0.568 18.422 1.00 0.00 C ATOM 46 CG GLU A 94 58.036 -1.492 17.970 1.00 0.00 C ATOM 47 CD GLU A 94 59.072 -0.685 17.196 1.00 0.00 C ATOM 48 OE1 GLU A 94 58.904 0.520 17.100 1.00 0.00 O ATOM 49 OE2 GLU A 94 60.017 -1.283 16.710 1.00 0.00 O ATOM 0 H GLU A 94 57.402 1.825 17.800 1.00 0.00 H new ATOM 0 HA GLU A 94 56.755 -0.251 16.293 1.00 0.00 H new ATOM 0 HB2 GLU A 94 57.280 0.168 19.131 1.00 0.00 H new ATOM 0 HB3 GLU A 94 56.134 -1.144 18.938 1.00 0.00 H new ATOM 0 HG2 GLU A 94 58.500 -1.965 18.835 1.00 0.00 H new ATOM 0 HG3 GLU A 94 57.640 -2.291 17.344 1.00 0.00 H new ATOM 56 N GLU A 95 54.038 0.722 17.851 1.00 0.00 N ATOM 57 CA GLU A 95 52.586 0.564 17.890 1.00 0.00 C ATOM 58 C GLU A 95 52.002 0.662 16.484 1.00 0.00 C ATOM 59 O GLU A 95 51.398 -0.284 15.979 1.00 0.00 O ATOM 60 CB GLU A 95 51.950 1.642 18.770 1.00 0.00 C ATOM 61 CG GLU A 95 50.574 1.166 19.242 1.00 0.00 C ATOM 62 CD GLU A 95 50.745 0.090 20.309 1.00 0.00 C ATOM 63 OE1 GLU A 95 51.789 -0.542 20.325 1.00 0.00 O ATOM 64 OE2 GLU A 95 49.829 -0.087 21.095 1.00 0.00 O ATOM 0 H GLU A 95 54.396 1.521 18.374 1.00 0.00 H new ATOM 0 HA GLU A 95 52.367 -0.419 18.308 1.00 0.00 H new ATOM 0 HB2 GLU A 95 52.589 1.850 19.628 1.00 0.00 H new ATOM 0 HB3 GLU A 95 51.853 2.573 18.211 1.00 0.00 H new ATOM 0 HG2 GLU A 95 50.006 2.005 19.644 1.00 0.00 H new ATOM 0 HG3 GLU A 95 50.006 0.771 18.400 1.00 0.00 H new ATOM 71 N GLU A 96 52.192 1.820 15.857 1.00 0.00 N ATOM 72 CA GLU A 96 51.682 2.036 14.506 1.00 0.00 C ATOM 73 C GLU A 96 52.654 1.467 13.477 1.00 0.00 C ATOM 74 O GLU A 96 52.264 1.098 12.369 1.00 0.00 O ATOM 75 CB GLU A 96 51.491 3.530 14.238 1.00 0.00 C ATOM 76 CG GLU A 96 49.997 3.848 14.158 1.00 0.00 C ATOM 77 CD GLU A 96 49.573 4.620 15.403 1.00 0.00 C ATOM 78 OE1 GLU A 96 49.333 3.984 16.417 1.00 0.00 O ATOM 79 OE2 GLU A 96 49.495 5.835 15.325 1.00 0.00 O ATOM 0 H GLU A 96 52.690 2.615 16.257 1.00 0.00 H new ATOM 0 HA GLU A 96 50.721 1.528 14.422 1.00 0.00 H new ATOM 0 HB2 GLU A 96 51.956 4.115 15.032 1.00 0.00 H new ATOM 0 HB3 GLU A 96 51.983 3.809 13.306 1.00 0.00 H new ATOM 0 HG2 GLU A 96 49.787 4.435 13.264 1.00 0.00 H new ATOM 0 HG3 GLU A 96 49.422 2.926 14.076 1.00 0.00 H new ATOM 86 N LEU A 97 53.925 1.402 13.860 1.00 0.00 N ATOM 87 CA LEU A 97 54.956 0.876 12.970 1.00 0.00 C ATOM 88 C LEU A 97 54.440 -0.348 12.221 1.00 0.00 C ATOM 89 O LEU A 97 54.491 -0.410 10.993 1.00 0.00 O ATOM 90 CB LEU A 97 56.197 0.483 13.776 1.00 0.00 C ATOM 91 CG LEU A 97 57.323 1.493 13.533 1.00 0.00 C ATOM 92 CD1 LEU A 97 57.971 1.217 12.177 1.00 0.00 C ATOM 93 CD2 LEU A 97 56.759 2.917 13.547 1.00 0.00 C ATOM 0 H LEU A 97 54.265 1.704 14.773 1.00 0.00 H new ATOM 0 HA LEU A 97 55.216 1.654 12.252 1.00 0.00 H new ATOM 0 HB2 LEU A 97 55.954 0.446 14.838 1.00 0.00 H new ATOM 0 HB3 LEU A 97 56.525 -0.516 13.489 1.00 0.00 H new ATOM 0 HG LEU A 97 58.068 1.394 14.323 1.00 0.00 H new ATOM 0 HD11 LEU A 97 58.772 1.935 12.004 1.00 0.00 H new ATOM 0 HD12 LEU A 97 58.381 0.207 12.168 1.00 0.00 H new ATOM 0 HD13 LEU A 97 57.223 1.311 11.390 1.00 0.00 H new ATOM 0 HD21 LEU A 97 57.565 3.629 13.374 1.00 0.00 H new ATOM 0 HD22 LEU A 97 56.009 3.019 12.762 1.00 0.00 H new ATOM 0 HD23 LEU A 97 56.300 3.117 14.515 1.00 0.00 H new ATOM 105 N SER A 98 53.942 -1.323 12.977 1.00 0.00 N ATOM 106 CA SER A 98 53.417 -2.546 12.376 1.00 0.00 C ATOM 107 C SER A 98 52.552 -2.214 11.165 1.00 0.00 C ATOM 108 O SER A 98 52.742 -2.761 10.079 1.00 0.00 O ATOM 109 CB SER A 98 52.579 -3.324 13.389 1.00 0.00 C ATOM 110 OG SER A 98 51.477 -2.525 13.798 1.00 0.00 O ATOM 0 H SER A 98 53.891 -1.292 13.995 1.00 0.00 H new ATOM 0 HA SER A 98 54.263 -3.157 12.062 1.00 0.00 H new ATOM 0 HB2 SER A 98 52.224 -4.255 12.946 1.00 0.00 H new ATOM 0 HB3 SER A 98 53.188 -3.593 14.252 1.00 0.00 H new ATOM 0 HG SER A 98 51.767 -1.899 14.494 1.00 0.00 H new ATOM 116 N ASP A 99 51.598 -1.308 11.366 1.00 0.00 N ATOM 117 CA ASP A 99 50.705 -0.906 10.282 1.00 0.00 C ATOM 118 C ASP A 99 51.508 -0.328 9.122 1.00 0.00 C ATOM 119 O ASP A 99 51.246 -0.628 7.957 1.00 0.00 O ATOM 120 CB ASP A 99 49.707 0.147 10.771 1.00 0.00 C ATOM 121 CG ASP A 99 48.838 -0.448 11.873 1.00 0.00 C ATOM 122 OD1 ASP A 99 47.955 -1.226 11.549 1.00 0.00 O ATOM 123 OD2 ASP A 99 49.066 -0.118 13.025 1.00 0.00 O ATOM 0 H ASP A 99 51.424 -0.843 12.257 1.00 0.00 H new ATOM 0 HA ASP A 99 50.162 -1.790 9.946 1.00 0.00 H new ATOM 0 HB2 ASP A 99 50.239 1.021 11.145 1.00 0.00 H new ATOM 0 HB3 ASP A 99 49.083 0.484 9.943 1.00 0.00 H new ATOM 128 N LEU A 100 52.491 0.504 9.454 1.00 0.00 N ATOM 129 CA LEU A 100 53.333 1.119 8.432 1.00 0.00 C ATOM 130 C LEU A 100 53.901 0.051 7.501 1.00 0.00 C ATOM 131 O LEU A 100 53.894 0.202 6.280 1.00 0.00 O ATOM 132 CB LEU A 100 54.491 1.884 9.080 1.00 0.00 C ATOM 133 CG LEU A 100 54.413 3.361 8.690 1.00 0.00 C ATOM 134 CD1 LEU A 100 55.346 4.178 9.587 1.00 0.00 C ATOM 135 CD2 LEU A 100 54.841 3.525 7.230 1.00 0.00 C ATOM 0 H LEU A 100 52.723 0.766 10.412 1.00 0.00 H new ATOM 0 HA LEU A 100 52.717 1.813 7.859 1.00 0.00 H new ATOM 0 HB2 LEU A 100 54.446 1.781 10.164 1.00 0.00 H new ATOM 0 HB3 LEU A 100 55.443 1.463 8.759 1.00 0.00 H new ATOM 0 HG LEU A 100 53.389 3.714 8.813 1.00 0.00 H new ATOM 0 HD11 LEU A 100 55.290 5.230 9.308 1.00 0.00 H new ATOM 0 HD12 LEU A 100 55.044 4.062 10.628 1.00 0.00 H new ATOM 0 HD13 LEU A 100 56.370 3.825 9.465 1.00 0.00 H new ATOM 0 HD21 LEU A 100 54.786 4.577 6.951 1.00 0.00 H new ATOM 0 HD22 LEU A 100 55.865 3.171 7.109 1.00 0.00 H new ATOM 0 HD23 LEU A 100 54.178 2.944 6.589 1.00 0.00 H new ATOM 147 N PHE A 101 54.393 -1.031 8.099 1.00 0.00 N ATOM 148 CA PHE A 101 54.966 -2.129 7.326 1.00 0.00 C ATOM 149 C PHE A 101 53.868 -2.910 6.609 1.00 0.00 C ATOM 150 O PHE A 101 54.056 -3.386 5.490 1.00 0.00 O ATOM 151 CB PHE A 101 55.735 -3.079 8.246 1.00 0.00 C ATOM 152 CG PHE A 101 56.514 -4.071 7.416 1.00 0.00 C ATOM 153 CD1 PHE A 101 55.839 -5.036 6.660 1.00 0.00 C ATOM 154 CD2 PHE A 101 57.913 -4.026 7.406 1.00 0.00 C ATOM 155 CE1 PHE A 101 56.563 -5.956 5.893 1.00 0.00 C ATOM 156 CE2 PHE A 101 58.638 -4.946 6.639 1.00 0.00 C ATOM 157 CZ PHE A 101 57.963 -5.911 5.882 1.00 0.00 C ATOM 0 H PHE A 101 54.407 -1.171 9.109 1.00 0.00 H new ATOM 0 HA PHE A 101 55.646 -1.704 6.588 1.00 0.00 H new ATOM 0 HB2 PHE A 101 56.413 -2.513 8.885 1.00 0.00 H new ATOM 0 HB3 PHE A 101 55.042 -3.605 8.903 1.00 0.00 H new ATOM 0 HD1 PHE A 101 54.760 -5.071 6.668 1.00 0.00 H new ATOM 0 HD2 PHE A 101 58.433 -3.281 7.990 1.00 0.00 H new ATOM 0 HE1 PHE A 101 56.042 -6.701 5.310 1.00 0.00 H new ATOM 0 HE2 PHE A 101 59.717 -4.911 6.631 1.00 0.00 H new ATOM 0 HZ PHE A 101 58.522 -6.621 5.290 1.00 0.00 H new ATOM 167 N ARG A 102 52.719 -3.038 7.268 1.00 0.00 N ATOM 168 CA ARG A 102 51.596 -3.767 6.684 1.00 0.00 C ATOM 169 C ARG A 102 51.000 -2.976 5.527 1.00 0.00 C ATOM 170 O ARG A 102 50.986 -3.433 4.385 1.00 0.00 O ATOM 171 CB ARG A 102 50.509 -4.012 7.732 1.00 0.00 C ATOM 172 CG ARG A 102 49.282 -4.632 7.060 1.00 0.00 C ATOM 173 CD ARG A 102 49.070 -6.049 7.593 1.00 0.00 C ATOM 174 NE ARG A 102 47.674 -6.253 7.974 1.00 0.00 N ATOM 175 CZ ARG A 102 46.701 -6.192 7.069 1.00 0.00 C ATOM 176 NH1 ARG A 102 46.987 -5.949 5.819 1.00 0.00 N ATOM 177 NH2 ARG A 102 45.460 -6.375 7.433 1.00 0.00 N ATOM 0 H ARG A 102 52.542 -2.652 8.195 1.00 0.00 H new ATOM 0 HA ARG A 102 51.968 -4.725 6.321 1.00 0.00 H new ATOM 0 HB2 ARG A 102 50.884 -4.675 8.512 1.00 0.00 H new ATOM 0 HB3 ARG A 102 50.237 -3.074 8.215 1.00 0.00 H new ATOM 0 HG2 ARG A 102 48.400 -4.023 7.256 1.00 0.00 H new ATOM 0 HG3 ARG A 102 49.419 -4.655 5.979 1.00 0.00 H new ATOM 0 HD2 ARG A 102 49.355 -6.776 6.832 1.00 0.00 H new ATOM 0 HD3 ARG A 102 49.716 -6.220 8.454 1.00 0.00 H new ATOM 0 HE ARG A 102 47.442 -6.445 8.949 1.00 0.00 H new ATOM 0 HH11 ARG A 102 47.956 -5.806 5.536 1.00 0.00 H new ATOM 0 HH12 ARG A 102 46.241 -5.902 5.125 1.00 0.00 H new ATOM 0 HH21 ARG A 102 45.238 -6.564 8.410 1.00 0.00 H new ATOM 0 HH22 ARG A 102 44.713 -6.328 6.740 1.00 0.00 H new ATOM 191 N MET A 103 50.514 -1.780 5.837 1.00 0.00 N ATOM 192 CA MET A 103 49.923 -0.924 4.816 1.00 0.00 C ATOM 193 C MET A 103 50.774 -0.954 3.551 1.00 0.00 C ATOM 194 O MET A 103 50.264 -0.838 2.436 1.00 0.00 O ATOM 195 CB MET A 103 49.829 0.515 5.323 1.00 0.00 C ATOM 196 CG MET A 103 51.187 0.946 5.881 1.00 0.00 C ATOM 197 SD MET A 103 51.978 2.101 4.733 1.00 0.00 S ATOM 198 CE MET A 103 50.696 3.377 4.770 1.00 0.00 C ATOM 0 H MET A 103 50.517 -1.384 6.777 1.00 0.00 H new ATOM 0 HA MET A 103 48.923 -1.295 4.591 1.00 0.00 H new ATOM 0 HB2 MET A 103 49.529 1.179 4.512 1.00 0.00 H new ATOM 0 HB3 MET A 103 49.065 0.591 6.097 1.00 0.00 H new ATOM 0 HG2 MET A 103 51.058 1.417 6.855 1.00 0.00 H new ATOM 0 HG3 MET A 103 51.823 0.074 6.031 1.00 0.00 H new ATOM 0 HE1 MET A 103 51.161 4.362 4.725 1.00 0.00 H new ATOM 0 HE2 MET A 103 50.031 3.250 3.915 1.00 0.00 H new ATOM 0 HE3 MET A 103 50.122 3.289 5.692 1.00 0.00 H new ATOM 208 N PHE A 104 52.080 -1.114 3.742 1.00 0.00 N ATOM 209 CA PHE A 104 53.009 -1.164 2.616 1.00 0.00 C ATOM 210 C PHE A 104 52.804 -2.447 1.814 1.00 0.00 C ATOM 211 O PHE A 104 52.868 -2.445 0.585 1.00 0.00 O ATOM 212 CB PHE A 104 54.454 -1.108 3.119 1.00 0.00 C ATOM 213 CG PHE A 104 55.280 -0.247 2.193 1.00 0.00 C ATOM 214 CD1 PHE A 104 55.169 -0.401 0.806 1.00 0.00 C ATOM 215 CD2 PHE A 104 56.157 0.707 2.723 1.00 0.00 C ATOM 216 CE1 PHE A 104 55.934 0.398 -0.051 1.00 0.00 C ATOM 217 CE2 PHE A 104 56.922 1.506 1.866 1.00 0.00 C ATOM 218 CZ PHE A 104 56.811 1.352 0.479 1.00 0.00 C ATOM 0 H PHE A 104 52.517 -1.211 4.658 1.00 0.00 H new ATOM 0 HA PHE A 104 52.815 -0.304 1.975 1.00 0.00 H new ATOM 0 HB2 PHE A 104 54.482 -0.703 4.130 1.00 0.00 H new ATOM 0 HB3 PHE A 104 54.872 -2.113 3.167 1.00 0.00 H new ATOM 0 HD1 PHE A 104 54.493 -1.137 0.397 1.00 0.00 H new ATOM 0 HD2 PHE A 104 56.243 0.826 3.793 1.00 0.00 H new ATOM 0 HE1 PHE A 104 55.848 0.279 -1.121 1.00 0.00 H new ATOM 0 HE2 PHE A 104 57.598 2.242 2.275 1.00 0.00 H new ATOM 0 HZ PHE A 104 57.402 1.969 -0.182 1.00 0.00 H new ATOM 228 N ASP A 105 52.551 -3.543 2.525 1.00 0.00 N ATOM 229 CA ASP A 105 52.332 -4.830 1.870 1.00 0.00 C ATOM 230 C ASP A 105 51.059 -4.785 1.030 1.00 0.00 C ATOM 231 O ASP A 105 49.973 -4.504 1.537 1.00 0.00 O ATOM 232 CB ASP A 105 52.205 -5.947 2.909 1.00 0.00 C ATOM 233 CG ASP A 105 53.584 -6.521 3.210 1.00 0.00 C ATOM 234 OD1 ASP A 105 54.532 -6.104 2.564 1.00 0.00 O ATOM 235 OD2 ASP A 105 53.673 -7.370 4.081 1.00 0.00 O ATOM 0 H ASP A 105 52.493 -3.567 3.543 1.00 0.00 H new ATOM 0 HA ASP A 105 53.188 -5.032 1.226 1.00 0.00 H new ATOM 0 HB2 ASP A 105 51.754 -5.559 3.822 1.00 0.00 H new ATOM 0 HB3 ASP A 105 51.546 -6.731 2.536 1.00 0.00 H new ATOM 240 N LYS A 106 51.208 -5.063 -0.262 1.00 0.00 N ATOM 241 CA LYS A 106 50.066 -5.048 -1.172 1.00 0.00 C ATOM 242 C LYS A 106 49.647 -6.470 -1.534 1.00 0.00 C ATOM 243 O LYS A 106 48.637 -6.681 -2.206 1.00 0.00 O ATOM 244 CB LYS A 106 50.417 -4.292 -2.454 1.00 0.00 C ATOM 245 CG LYS A 106 50.604 -2.807 -2.135 1.00 0.00 C ATOM 246 CD LYS A 106 49.380 -2.288 -1.379 1.00 0.00 C ATOM 247 CE LYS A 106 48.106 -2.733 -2.101 1.00 0.00 C ATOM 248 NZ LYS A 106 46.926 -2.056 -1.493 1.00 0.00 N ATOM 0 H LYS A 106 52.099 -5.299 -0.700 1.00 0.00 H new ATOM 0 HA LYS A 106 49.241 -4.547 -0.666 1.00 0.00 H new ATOM 0 HB2 LYS A 106 51.329 -4.699 -2.891 1.00 0.00 H new ATOM 0 HB3 LYS A 106 49.626 -4.420 -3.192 1.00 0.00 H new ATOM 0 HG2 LYS A 106 51.503 -2.664 -1.535 1.00 0.00 H new ATOM 0 HG3 LYS A 106 50.742 -2.241 -3.056 1.00 0.00 H new ATOM 0 HD2 LYS A 106 49.383 -2.668 -0.357 1.00 0.00 H new ATOM 0 HD3 LYS A 106 49.413 -1.200 -1.315 1.00 0.00 H new ATOM 0 HE2 LYS A 106 48.172 -2.489 -3.161 1.00 0.00 H new ATOM 0 HE3 LYS A 106 47.994 -3.815 -2.030 1.00 0.00 H new ATOM 0 HZ1 LYS A 106 46.061 -2.359 -1.984 1.00 0.00 H new ATOM 0 HZ2 LYS A 106 46.860 -2.310 -0.487 1.00 0.00 H new ATOM 0 HZ3 LYS A 106 47.032 -1.025 -1.583 1.00 0.00 H new ATOM 262 N ASN A 107 50.433 -7.445 -1.086 1.00 0.00 N ATOM 263 CA ASN A 107 50.131 -8.843 -1.375 1.00 0.00 C ATOM 264 C ASN A 107 50.101 -9.666 -0.090 1.00 0.00 C ATOM 265 O ASN A 107 49.824 -10.866 -0.113 1.00 0.00 O ATOM 266 CB ASN A 107 51.180 -9.428 -2.321 1.00 0.00 C ATOM 267 CG ASN A 107 52.543 -8.821 -2.007 1.00 0.00 C ATOM 268 OD1 ASN A 107 53.241 -8.348 -2.905 1.00 0.00 O ATOM 269 ND2 ASN A 107 52.969 -8.805 -0.774 1.00 0.00 N ATOM 0 H ASN A 107 51.274 -7.296 -0.528 1.00 0.00 H new ATOM 0 HA ASN A 107 49.150 -8.884 -1.848 1.00 0.00 H new ATOM 0 HB2 ASN A 107 51.219 -10.512 -2.212 1.00 0.00 H new ATOM 0 HB3 ASN A 107 50.908 -9.221 -3.356 1.00 0.00 H new ATOM 0 HD22 ASN A 107 52.392 -9.196 -0.030 1.00 0.00 H new ATOM 276 N ALA A 108 50.387 -9.011 1.033 1.00 0.00 N ATOM 277 CA ALA A 108 50.389 -9.695 2.323 1.00 0.00 C ATOM 278 C ALA A 108 51.379 -10.854 2.309 1.00 0.00 C ATOM 279 O ALA A 108 51.097 -11.925 1.772 1.00 0.00 O ATOM 280 CB ALA A 108 48.995 -10.235 2.645 1.00 0.00 C ATOM 0 H ALA A 108 50.618 -8.018 1.076 1.00 0.00 H new ATOM 0 HA ALA A 108 50.684 -8.974 3.086 1.00 0.00 H new ATOM 0 HB1 ALA A 108 49.015 -10.742 3.610 1.00 0.00 H new ATOM 0 HB2 ALA A 108 48.285 -9.409 2.684 1.00 0.00 H new ATOM 0 HB3 ALA A 108 48.690 -10.940 1.871 1.00 0.00 H new ATOM 286 N ASP A 109 52.543 -10.625 2.906 1.00 0.00 N ATOM 287 CA ASP A 109 53.576 -11.655 2.960 1.00 0.00 C ATOM 288 C ASP A 109 54.528 -11.394 4.122 1.00 0.00 C ATOM 289 O ASP A 109 54.950 -12.317 4.818 1.00 0.00 O ATOM 290 CB ASP A 109 54.378 -11.680 1.657 1.00 0.00 C ATOM 291 CG ASP A 109 54.556 -10.256 1.141 1.00 0.00 C ATOM 292 OD1 ASP A 109 54.353 -9.336 1.916 1.00 0.00 O ATOM 293 OD2 ASP A 109 54.893 -10.106 -0.022 1.00 0.00 O ATOM 0 H ASP A 109 52.795 -9.745 3.356 1.00 0.00 H new ATOM 0 HA ASP A 109 53.083 -12.617 3.101 1.00 0.00 H new ATOM 0 HB2 ASP A 109 55.351 -12.141 1.825 1.00 0.00 H new ATOM 0 HB3 ASP A 109 53.863 -12.286 0.912 1.00 0.00 H new ATOM 298 N GLY A 110 54.860 -10.122 4.321 1.00 0.00 N ATOM 299 CA GLY A 110 55.766 -9.740 5.400 1.00 0.00 C ATOM 300 C GLY A 110 57.025 -9.084 4.843 1.00 0.00 C ATOM 301 O GLY A 110 57.997 -8.860 5.564 1.00 0.00 O ATOM 0 H GLY A 110 54.519 -9.345 3.755 1.00 0.00 H new ATOM 0 HA2 GLY A 110 55.261 -9.052 6.078 1.00 0.00 H new ATOM 0 HA3 GLY A 110 56.037 -10.621 5.983 1.00 0.00 H new ATOM 305 N TYR A 111 56.995 -8.777 3.548 1.00 0.00 N ATOM 306 CA TYR A 111 58.139 -8.146 2.897 1.00 0.00 C ATOM 307 C TYR A 111 57.672 -7.229 1.773 1.00 0.00 C ATOM 308 O TYR A 111 56.683 -7.508 1.095 1.00 0.00 O ATOM 309 CB TYR A 111 59.074 -9.204 2.310 1.00 0.00 C ATOM 310 CG TYR A 111 59.836 -9.880 3.423 1.00 0.00 C ATOM 311 CD1 TYR A 111 59.203 -10.840 4.221 1.00 0.00 C ATOM 312 CD2 TYR A 111 61.177 -9.550 3.655 1.00 0.00 C ATOM 313 CE1 TYR A 111 59.910 -11.469 5.252 1.00 0.00 C ATOM 314 CE2 TYR A 111 61.884 -10.179 4.686 1.00 0.00 C ATOM 315 CZ TYR A 111 61.251 -11.139 5.485 1.00 0.00 C ATOM 316 OH TYR A 111 61.948 -11.759 6.501 1.00 0.00 O ATOM 0 H TYR A 111 56.199 -8.953 2.935 1.00 0.00 H new ATOM 0 HA TYR A 111 58.672 -7.564 3.649 1.00 0.00 H new ATOM 0 HB2 TYR A 111 58.499 -9.941 1.749 1.00 0.00 H new ATOM 0 HB3 TYR A 111 59.769 -8.741 1.609 1.00 0.00 H new ATOM 0 HD1 TYR A 111 58.169 -11.095 4.041 1.00 0.00 H new ATOM 0 HD2 TYR A 111 61.666 -8.810 3.038 1.00 0.00 H new ATOM 0 HE1 TYR A 111 59.421 -12.209 5.868 1.00 0.00 H new ATOM 0 HE2 TYR A 111 62.918 -9.924 4.865 1.00 0.00 H new ATOM 0 HH TYR A 111 62.865 -11.415 6.526 1.00 0.00 H new ATOM 326 N ILE A 112 58.400 -6.135 1.578 1.00 0.00 N ATOM 327 CA ILE A 112 58.058 -5.184 0.527 1.00 0.00 C ATOM 328 C ILE A 112 59.032 -5.317 -0.636 1.00 0.00 C ATOM 329 O ILE A 112 60.249 -5.333 -0.453 1.00 0.00 O ATOM 330 CB ILE A 112 58.092 -3.751 1.068 1.00 0.00 C ATOM 331 CG1 ILE A 112 56.827 -3.499 1.887 1.00 0.00 C ATOM 332 CG2 ILE A 112 58.149 -2.748 -0.087 1.00 0.00 C ATOM 333 CD1 ILE A 112 57.216 -3.202 3.331 1.00 0.00 C ATOM 0 H ILE A 112 59.222 -5.886 2.128 1.00 0.00 H new ATOM 0 HA ILE A 112 57.049 -5.404 0.178 1.00 0.00 H new ATOM 0 HB ILE A 112 58.978 -3.626 1.691 1.00 0.00 H new ATOM 0 HG12 ILE A 112 56.269 -2.661 1.468 1.00 0.00 H new ATOM 0 HG13 ILE A 112 56.173 -4.370 1.846 1.00 0.00 H new ATOM 0 HG21 ILE A 112 58.173 -1.734 0.312 1.00 0.00 H new ATOM 0 HG22 ILE A 112 59.047 -2.926 -0.679 1.00 0.00 H new ATOM 0 HG23 ILE A 112 57.268 -2.869 -0.718 1.00 0.00 H new ATOM 0 HD11 ILE A 112 56.317 -3.021 3.920 1.00 0.00 H new ATOM 0 HD12 ILE A 112 57.756 -4.054 3.745 1.00 0.00 H new ATOM 0 HD13 ILE A 112 57.854 -2.318 3.362 1.00 0.00 H new ATOM 345 N ASP A 113 58.475 -5.412 -1.834 1.00 0.00 N ATOM 346 CA ASP A 113 59.291 -5.544 -3.036 1.00 0.00 C ATOM 347 C ASP A 113 59.049 -4.363 -3.966 1.00 0.00 C ATOM 348 O ASP A 113 58.109 -3.590 -3.780 1.00 0.00 O ATOM 349 CB ASP A 113 58.953 -6.840 -3.775 1.00 0.00 C ATOM 350 CG ASP A 113 57.446 -7.071 -3.736 1.00 0.00 C ATOM 351 OD1 ASP A 113 56.729 -6.270 -4.310 1.00 0.00 O ATOM 352 OD2 ASP A 113 57.032 -8.047 -3.132 1.00 0.00 O ATOM 0 H ASP A 113 57.469 -5.401 -2.002 1.00 0.00 H new ATOM 0 HA ASP A 113 60.338 -5.565 -2.735 1.00 0.00 H new ATOM 0 HB2 ASP A 113 59.296 -6.782 -4.808 1.00 0.00 H new ATOM 0 HB3 ASP A 113 59.472 -7.680 -3.314 1.00 0.00 H new ATOM 357 N LEU A 114 59.908 -4.230 -4.971 1.00 0.00 N ATOM 358 CA LEU A 114 59.775 -3.136 -5.926 1.00 0.00 C ATOM 359 C LEU A 114 58.325 -3.009 -6.378 1.00 0.00 C ATOM 360 O LEU A 114 57.708 -1.952 -6.246 1.00 0.00 O ATOM 361 CB LEU A 114 60.659 -3.381 -7.151 1.00 0.00 C ATOM 362 CG LEU A 114 61.805 -2.368 -7.169 1.00 0.00 C ATOM 363 CD1 LEU A 114 63.092 -3.061 -7.623 1.00 0.00 C ATOM 364 CD2 LEU A 114 61.468 -1.235 -8.141 1.00 0.00 C ATOM 0 H LEU A 114 60.694 -4.857 -5.144 1.00 0.00 H new ATOM 0 HA LEU A 114 60.089 -2.216 -5.434 1.00 0.00 H new ATOM 0 HB2 LEU A 114 61.057 -4.395 -7.127 1.00 0.00 H new ATOM 0 HB3 LEU A 114 60.068 -3.292 -8.062 1.00 0.00 H new ATOM 0 HG LEU A 114 61.945 -1.960 -6.168 1.00 0.00 H new ATOM 0 HD11 LEU A 114 63.909 -2.339 -7.636 1.00 0.00 H new ATOM 0 HD12 LEU A 114 63.333 -3.869 -6.933 1.00 0.00 H new ATOM 0 HD13 LEU A 114 62.952 -3.469 -8.624 1.00 0.00 H new ATOM 0 HD21 LEU A 114 62.284 -0.512 -8.155 1.00 0.00 H new ATOM 0 HD22 LEU A 114 61.328 -1.644 -9.142 1.00 0.00 H new ATOM 0 HD23 LEU A 114 60.551 -0.741 -7.820 1.00 0.00 H new ATOM 376 N GLU A 115 57.788 -4.103 -6.911 1.00 0.00 N ATOM 377 CA GLU A 115 56.406 -4.109 -7.378 1.00 0.00 C ATOM 378 C GLU A 115 55.515 -3.347 -6.402 1.00 0.00 C ATOM 379 O GLU A 115 54.745 -2.471 -6.797 1.00 0.00 O ATOM 380 CB GLU A 115 55.892 -5.543 -7.513 1.00 0.00 C ATOM 381 CG GLU A 115 56.166 -6.052 -8.929 1.00 0.00 C ATOM 382 CD GLU A 115 56.820 -7.427 -8.859 1.00 0.00 C ATOM 383 OE1 GLU A 115 57.835 -7.545 -8.193 1.00 0.00 O ATOM 384 OE2 GLU A 115 56.296 -8.343 -9.472 1.00 0.00 O ATOM 0 H GLU A 115 58.283 -4.987 -7.029 1.00 0.00 H new ATOM 0 HA GLU A 115 56.376 -3.623 -8.353 1.00 0.00 H new ATOM 0 HB2 GLU A 115 56.382 -6.187 -6.783 1.00 0.00 H new ATOM 0 HB3 GLU A 115 54.823 -5.579 -7.303 1.00 0.00 H new ATOM 0 HG2 GLU A 115 55.235 -6.109 -9.493 1.00 0.00 H new ATOM 0 HG3 GLU A 115 56.816 -5.355 -9.458 1.00 0.00 H new ATOM 391 N GLU A 116 55.632 -3.687 -5.121 1.00 0.00 N ATOM 392 CA GLU A 116 54.836 -3.023 -4.093 1.00 0.00 C ATOM 393 C GLU A 116 55.169 -1.535 -4.051 1.00 0.00 C ATOM 394 O GLU A 116 54.281 -0.683 -4.083 1.00 0.00 O ATOM 395 CB GLU A 116 55.112 -3.635 -2.718 1.00 0.00 C ATOM 396 CG GLU A 116 54.380 -4.973 -2.597 1.00 0.00 C ATOM 397 CD GLU A 116 54.740 -5.632 -1.269 1.00 0.00 C ATOM 398 OE1 GLU A 116 54.792 -4.926 -0.276 1.00 0.00 O ATOM 399 OE2 GLU A 116 54.959 -6.832 -1.266 1.00 0.00 O ATOM 0 H GLU A 116 56.262 -4.409 -4.773 1.00 0.00 H new ATOM 0 HA GLU A 116 53.783 -3.158 -4.341 1.00 0.00 H new ATOM 0 HB2 GLU A 116 56.184 -3.781 -2.582 1.00 0.00 H new ATOM 0 HB3 GLU A 116 54.781 -2.955 -1.933 1.00 0.00 H new ATOM 0 HG2 GLU A 116 53.303 -4.817 -2.658 1.00 0.00 H new ATOM 0 HG3 GLU A 116 54.655 -5.626 -3.425 1.00 0.00 H new ATOM 406 N LEU A 117 56.464 -1.233 -3.983 1.00 0.00 N ATOM 407 CA LEU A 117 56.911 0.156 -3.942 1.00 0.00 C ATOM 408 C LEU A 117 56.177 0.981 -4.993 1.00 0.00 C ATOM 409 O LEU A 117 55.559 2.000 -4.686 1.00 0.00 O ATOM 410 CB LEU A 117 58.415 0.244 -4.207 1.00 0.00 C ATOM 411 CG LEU A 117 59.159 0.427 -2.884 1.00 0.00 C ATOM 412 CD1 LEU A 117 60.130 -0.737 -2.680 1.00 0.00 C ATOM 413 CD2 LEU A 117 59.940 1.743 -2.917 1.00 0.00 C ATOM 0 H LEU A 117 57.214 -1.923 -3.955 1.00 0.00 H new ATOM 0 HA LEU A 117 56.693 0.549 -2.949 1.00 0.00 H new ATOM 0 HB2 LEU A 117 58.760 -0.661 -4.708 1.00 0.00 H new ATOM 0 HB3 LEU A 117 58.629 1.079 -4.875 1.00 0.00 H new ATOM 0 HG LEU A 117 58.442 0.450 -2.063 1.00 0.00 H new ATOM 0 HD11 LEU A 117 60.661 -0.607 -1.737 1.00 0.00 H new ATOM 0 HD12 LEU A 117 59.574 -1.675 -2.658 1.00 0.00 H new ATOM 0 HD13 LEU A 117 60.848 -0.760 -3.500 1.00 0.00 H new ATOM 0 HD21 LEU A 117 60.471 1.875 -1.974 1.00 0.00 H new ATOM 0 HD22 LEU A 117 60.657 1.720 -3.737 1.00 0.00 H new ATOM 0 HD23 LEU A 117 59.249 2.573 -3.063 1.00 0.00 H new ATOM 425 N LYS A 118 56.255 0.528 -6.241 1.00 0.00 N ATOM 426 CA LYS A 118 55.595 1.230 -7.338 1.00 0.00 C ATOM 427 C LYS A 118 54.167 1.596 -6.950 1.00 0.00 C ATOM 428 O LYS A 118 53.790 2.768 -6.950 1.00 0.00 O ATOM 429 CB LYS A 118 55.566 0.357 -8.594 1.00 0.00 C ATOM 430 CG LYS A 118 56.784 0.674 -9.463 1.00 0.00 C ATOM 431 CD LYS A 118 57.089 -0.517 -10.374 1.00 0.00 C ATOM 432 CE LYS A 118 58.014 -1.497 -9.648 1.00 0.00 C ATOM 433 NZ LYS A 118 58.598 -2.451 -10.633 1.00 0.00 N ATOM 0 H LYS A 118 56.763 -0.313 -6.517 1.00 0.00 H new ATOM 0 HA LYS A 118 56.159 2.139 -7.545 1.00 0.00 H new ATOM 0 HB2 LYS A 118 55.568 -0.697 -8.317 1.00 0.00 H new ATOM 0 HB3 LYS A 118 54.649 0.538 -9.155 1.00 0.00 H new ATOM 0 HG2 LYS A 118 56.594 1.564 -10.063 1.00 0.00 H new ATOM 0 HG3 LYS A 118 57.646 0.893 -8.833 1.00 0.00 H new ATOM 0 HD2 LYS A 118 56.163 -1.017 -10.657 1.00 0.00 H new ATOM 0 HD3 LYS A 118 57.559 -0.172 -11.295 1.00 0.00 H new ATOM 0 HE2 LYS A 118 58.809 -0.953 -9.137 1.00 0.00 H new ATOM 0 HE3 LYS A 118 57.458 -2.041 -8.884 1.00 0.00 H new ATOM 0 HZ1 LYS A 118 59.227 -3.117 -10.140 1.00 0.00 H new ATOM 0 HZ2 LYS A 118 57.833 -2.978 -11.101 1.00 0.00 H new ATOM 0 HZ3 LYS A 118 59.142 -1.924 -11.346 1.00 0.00 H new ATOM 447 N ILE A 119 53.376 0.580 -6.618 1.00 0.00 N ATOM 448 CA ILE A 119 51.989 0.808 -6.228 1.00 0.00 C ATOM 449 C ILE A 119 51.904 1.935 -5.204 1.00 0.00 C ATOM 450 O ILE A 119 51.009 2.778 -5.261 1.00 0.00 O ATOM 451 CB ILE A 119 51.382 -0.462 -5.630 1.00 0.00 C ATOM 452 CG1 ILE A 119 51.310 -1.545 -6.709 1.00 0.00 C ATOM 453 CG2 ILE A 119 49.974 -0.161 -5.115 1.00 0.00 C ATOM 454 CD1 ILE A 119 51.151 -2.916 -6.049 1.00 0.00 C ATOM 0 H ILE A 119 53.667 -0.398 -6.611 1.00 0.00 H new ATOM 0 HA ILE A 119 51.429 1.086 -7.121 1.00 0.00 H new ATOM 0 HB ILE A 119 52.003 -0.810 -4.804 1.00 0.00 H new ATOM 0 HG12 ILE A 119 50.471 -1.352 -7.377 1.00 0.00 H new ATOM 0 HG13 ILE A 119 52.213 -1.526 -7.319 1.00 0.00 H new ATOM 0 HG21 ILE A 119 49.541 -1.066 -4.689 1.00 0.00 H new ATOM 0 HG22 ILE A 119 50.024 0.613 -4.349 1.00 0.00 H new ATOM 0 HG23 ILE A 119 49.351 0.185 -5.940 1.00 0.00 H new ATOM 0 HD11 ILE A 119 51.100 -3.686 -6.818 1.00 0.00 H new ATOM 0 HD12 ILE A 119 52.005 -3.108 -5.399 1.00 0.00 H new ATOM 0 HD13 ILE A 119 50.235 -2.932 -5.459 1.00 0.00 H new ATOM 466 N MET A 120 52.851 1.944 -4.269 1.00 0.00 N ATOM 467 CA MET A 120 52.874 2.979 -3.239 1.00 0.00 C ATOM 468 C MET A 120 53.050 4.351 -3.879 1.00 0.00 C ATOM 469 O MET A 120 52.751 5.380 -3.273 1.00 0.00 O ATOM 470 CB MET A 120 54.021 2.736 -2.255 1.00 0.00 C ATOM 471 CG MET A 120 53.586 3.162 -0.852 1.00 0.00 C ATOM 472 SD MET A 120 54.917 4.102 -0.065 1.00 0.00 S ATOM 473 CE MET A 120 53.995 4.607 1.408 1.00 0.00 C ATOM 0 H MET A 120 53.602 1.257 -4.203 1.00 0.00 H new ATOM 0 HA MET A 120 51.927 2.943 -2.701 1.00 0.00 H new ATOM 0 HB2 MET A 120 54.299 1.682 -2.257 1.00 0.00 H new ATOM 0 HB3 MET A 120 54.903 3.299 -2.561 1.00 0.00 H new ATOM 0 HG2 MET A 120 52.682 3.769 -0.909 1.00 0.00 H new ATOM 0 HG3 MET A 120 53.343 2.284 -0.253 1.00 0.00 H new ATOM 0 HE1 MET A 120 54.073 5.687 1.533 1.00 0.00 H new ATOM 0 HE2 MET A 120 52.947 4.329 1.294 1.00 0.00 H new ATOM 0 HE3 MET A 120 54.409 4.109 2.285 1.00 0.00 H new ATOM 483 N LEU A 121 53.539 4.350 -5.116 1.00 0.00 N ATOM 484 CA LEU A 121 53.752 5.598 -5.843 1.00 0.00 C ATOM 485 C LEU A 121 52.619 5.829 -6.837 1.00 0.00 C ATOM 486 O LEU A 121 52.015 6.901 -6.877 1.00 0.00 O ATOM 487 CB LEU A 121 55.078 5.555 -6.604 1.00 0.00 C ATOM 488 CG LEU A 121 56.214 5.204 -5.641 1.00 0.00 C ATOM 489 CD1 LEU A 121 57.540 5.182 -6.403 1.00 0.00 C ATOM 490 CD2 LEU A 121 56.283 6.254 -4.530 1.00 0.00 C ATOM 0 H LEU A 121 53.793 3.508 -5.632 1.00 0.00 H new ATOM 0 HA LEU A 121 53.776 6.412 -5.118 1.00 0.00 H new ATOM 0 HB2 LEU A 121 55.025 4.817 -7.404 1.00 0.00 H new ATOM 0 HB3 LEU A 121 55.271 6.520 -7.073 1.00 0.00 H new ATOM 0 HG LEU A 121 56.029 4.223 -5.204 1.00 0.00 H new ATOM 0 HD11 LEU A 121 58.350 4.932 -5.717 1.00 0.00 H new ATOM 0 HD12 LEU A 121 57.492 4.435 -7.195 1.00 0.00 H new ATOM 0 HD13 LEU A 121 57.725 6.163 -6.840 1.00 0.00 H new ATOM 0 HD21 LEU A 121 57.092 6.005 -3.843 1.00 0.00 H new ATOM 0 HD22 LEU A 121 56.468 7.235 -4.968 1.00 0.00 H new ATOM 0 HD23 LEU A 121 55.338 6.271 -3.986 1.00 0.00 H new ATOM 502 N GLN A 122 52.342 4.808 -7.643 1.00 0.00 N ATOM 503 CA GLN A 122 51.283 4.903 -8.643 1.00 0.00 C ATOM 504 C GLN A 122 49.926 5.096 -7.974 1.00 0.00 C ATOM 505 O GLN A 122 48.940 5.441 -8.626 1.00 0.00 O ATOM 506 CB GLN A 122 51.236 3.634 -9.498 1.00 0.00 C ATOM 507 CG GLN A 122 52.660 3.156 -9.786 1.00 0.00 C ATOM 508 CD GLN A 122 52.791 2.818 -11.267 1.00 0.00 C ATOM 509 OE1 GLN A 122 52.287 3.544 -12.123 1.00 0.00 O ATOM 510 NE2 GLN A 122 53.445 1.747 -11.624 1.00 0.00 N ATOM 0 H GLN A 122 52.831 3.913 -7.624 1.00 0.00 H new ATOM 0 HA GLN A 122 51.501 5.763 -9.276 1.00 0.00 H new ATOM 0 HB2 GLN A 122 50.678 2.854 -8.979 1.00 0.00 H new ATOM 0 HB3 GLN A 122 50.712 3.833 -10.433 1.00 0.00 H new ATOM 0 HG2 GLN A 122 53.377 3.930 -9.514 1.00 0.00 H new ATOM 0 HG3 GLN A 122 52.891 2.280 -9.180 1.00 0.00 H new ATOM 0 HE21 GLN A 122 53.863 1.145 -10.915 1.00 0.00 H new ATOM 0 HE22 GLN A 122 53.538 1.512 -12.612 1.00 0.00 H new ATOM 519 N ALA A 123 49.884 4.866 -6.666 1.00 0.00 N ATOM 520 CA ALA A 123 48.639 5.013 -5.917 1.00 0.00 C ATOM 521 C ALA A 123 48.558 6.392 -5.272 1.00 0.00 C ATOM 522 O ALA A 123 47.471 6.914 -5.023 1.00 0.00 O ATOM 523 CB ALA A 123 48.543 3.947 -4.825 1.00 0.00 C ATOM 0 H ALA A 123 50.688 4.580 -6.107 1.00 0.00 H new ATOM 0 HA ALA A 123 47.813 4.893 -6.618 1.00 0.00 H new ATOM 0 HB1 ALA A 123 47.609 4.071 -4.276 1.00 0.00 H new ATOM 0 HB2 ALA A 123 48.568 2.957 -5.280 1.00 0.00 H new ATOM 0 HB3 ALA A 123 49.383 4.052 -4.139 1.00 0.00 H new ATOM 529 N THR A 124 49.721 6.976 -5.001 1.00 0.00 N ATOM 530 CA THR A 124 49.771 8.297 -4.379 1.00 0.00 C ATOM 531 C THR A 124 49.732 9.392 -5.441 1.00 0.00 C ATOM 532 O THR A 124 50.511 10.344 -5.400 1.00 0.00 O ATOM 533 CB THR A 124 51.047 8.451 -3.549 1.00 0.00 C ATOM 534 OG1 THR A 124 52.171 8.120 -4.351 1.00 0.00 O ATOM 535 CG2 THR A 124 50.989 7.517 -2.339 1.00 0.00 C ATOM 0 H THR A 124 50.632 6.562 -5.199 1.00 0.00 H new ATOM 0 HA THR A 124 48.902 8.393 -3.729 1.00 0.00 H new ATOM 0 HB THR A 124 51.135 9.481 -3.204 1.00 0.00 H new ATOM 0 HG1 THR A 124 51.868 7.854 -5.244 1.00 0.00 H new ATOM 0 HG21 THR A 124 51.899 7.628 -1.749 1.00 0.00 H new ATOM 0 HG22 THR A 124 50.125 7.771 -1.725 1.00 0.00 H new ATOM 0 HG23 THR A 124 50.902 6.485 -2.680 1.00 0.00 H new ATOM 543 N GLY A 125 48.811 9.248 -6.391 1.00 0.00 N ATOM 544 CA GLY A 125 48.672 10.234 -7.460 1.00 0.00 C ATOM 545 C GLY A 125 49.501 9.846 -8.681 1.00 0.00 C ATOM 546 O GLY A 125 49.505 10.549 -9.691 1.00 0.00 O ATOM 0 H GLY A 125 48.157 8.467 -6.443 1.00 0.00 H new ATOM 0 HA2 GLY A 125 47.623 10.322 -7.743 1.00 0.00 H new ATOM 0 HA3 GLY A 125 48.988 11.213 -7.099 1.00 0.00 H new ATOM 550 N GLU A 126 50.205 8.721 -8.578 1.00 0.00 N ATOM 551 CA GLU A 126 51.038 8.250 -9.685 1.00 0.00 C ATOM 552 C GLU A 126 51.710 9.431 -10.378 1.00 0.00 C ATOM 553 O GLU A 126 51.271 9.879 -11.437 1.00 0.00 O ATOM 554 CB GLU A 126 50.215 7.468 -10.725 1.00 0.00 C ATOM 555 CG GLU A 126 48.713 7.585 -10.435 1.00 0.00 C ATOM 556 CD GLU A 126 48.167 8.856 -11.076 1.00 0.00 C ATOM 557 OE1 GLU A 126 48.894 9.470 -11.841 1.00 0.00 O ATOM 558 OE2 GLU A 126 47.031 9.198 -10.794 1.00 0.00 O ATOM 0 H GLU A 126 50.217 8.124 -7.751 1.00 0.00 H new ATOM 0 HA GLU A 126 51.790 7.583 -9.262 1.00 0.00 H new ATOM 0 HB2 GLU A 126 50.427 7.849 -11.724 1.00 0.00 H new ATOM 0 HB3 GLU A 126 50.511 6.419 -10.715 1.00 0.00 H new ATOM 0 HG2 GLU A 126 48.188 6.714 -10.826 1.00 0.00 H new ATOM 0 HG3 GLU A 126 48.540 7.605 -9.359 1.00 0.00 H new ATOM 565 N THR A 127 52.780 9.930 -9.766 1.00 0.00 N ATOM 566 CA THR A 127 53.508 11.062 -10.331 1.00 0.00 C ATOM 567 C THR A 127 55.014 10.835 -10.227 1.00 0.00 C ATOM 568 O THR A 127 55.793 11.780 -10.103 1.00 0.00 O ATOM 569 CB THR A 127 53.143 12.353 -9.594 1.00 0.00 C ATOM 570 OG1 THR A 127 52.036 12.107 -8.738 1.00 0.00 O ATOM 571 CG2 THR A 127 52.773 13.435 -10.609 1.00 0.00 C ATOM 0 H THR A 127 53.159 9.573 -8.889 1.00 0.00 H new ATOM 0 HA THR A 127 53.229 11.153 -11.381 1.00 0.00 H new ATOM 0 HB THR A 127 53.995 12.689 -9.003 1.00 0.00 H new ATOM 0 HG1 THR A 127 51.800 12.931 -8.263 1.00 0.00 H new ATOM 0 HG21 THR A 127 52.513 14.354 -10.083 1.00 0.00 H new ATOM 0 HG22 THR A 127 53.621 13.621 -11.268 1.00 0.00 H new ATOM 0 HG23 THR A 127 51.920 13.102 -11.201 1.00 0.00 H new ATOM 579 N ILE A 128 55.413 9.567 -10.284 1.00 0.00 N ATOM 580 CA ILE A 128 56.830 9.217 -10.200 1.00 0.00 C ATOM 581 C ILE A 128 57.182 8.187 -11.269 1.00 0.00 C ATOM 582 O ILE A 128 56.369 7.331 -11.618 1.00 0.00 O ATOM 583 CB ILE A 128 57.161 8.642 -8.822 1.00 0.00 C ATOM 584 CG1 ILE A 128 57.036 9.745 -7.769 1.00 0.00 C ATOM 585 CG2 ILE A 128 58.592 8.101 -8.824 1.00 0.00 C ATOM 586 CD1 ILE A 128 56.354 9.185 -6.519 1.00 0.00 C ATOM 0 H ILE A 128 54.783 8.771 -10.387 1.00 0.00 H new ATOM 0 HA ILE A 128 57.413 10.124 -10.360 1.00 0.00 H new ATOM 0 HB ILE A 128 56.468 7.834 -8.589 1.00 0.00 H new ATOM 0 HG12 ILE A 128 58.022 10.133 -7.515 1.00 0.00 H new ATOM 0 HG13 ILE A 128 56.459 10.579 -8.168 1.00 0.00 H new ATOM 0 HG21 ILE A 128 58.827 7.691 -7.842 1.00 0.00 H new ATOM 0 HG22 ILE A 128 58.684 7.317 -9.576 1.00 0.00 H new ATOM 0 HG23 ILE A 128 59.286 8.909 -9.056 1.00 0.00 H new ATOM 0 HD11 ILE A 128 56.265 9.972 -5.770 1.00 0.00 H new ATOM 0 HD12 ILE A 128 55.361 8.819 -6.780 1.00 0.00 H new ATOM 0 HD13 ILE A 128 56.949 8.365 -6.116 1.00 0.00 H new ATOM 598 N THR A 129 58.403 8.281 -11.789 1.00 0.00 N ATOM 599 CA THR A 129 58.850 7.352 -12.824 1.00 0.00 C ATOM 600 C THR A 129 59.889 6.384 -12.268 1.00 0.00 C ATOM 601 O THR A 129 60.181 6.379 -11.072 1.00 0.00 O ATOM 602 CB THR A 129 59.460 8.115 -14.001 1.00 0.00 C ATOM 603 OG1 THR A 129 59.713 7.212 -15.069 1.00 0.00 O ATOM 604 CG2 THR A 129 60.771 8.770 -13.563 1.00 0.00 C ATOM 0 H THR A 129 59.093 8.981 -11.516 1.00 0.00 H new ATOM 0 HA THR A 129 57.980 6.790 -13.165 1.00 0.00 H new ATOM 0 HB THR A 129 58.765 8.886 -14.333 1.00 0.00 H new ATOM 0 HG1 THR A 129 60.102 7.700 -15.825 1.00 0.00 H new ATOM 0 HG21 THR A 129 61.205 9.313 -14.403 1.00 0.00 H new ATOM 0 HG22 THR A 129 60.576 9.463 -12.744 1.00 0.00 H new ATOM 0 HG23 THR A 129 61.468 8.001 -13.229 1.00 0.00 H new ATOM 612 N GLU A 130 60.442 5.561 -13.156 1.00 0.00 N ATOM 613 CA GLU A 130 61.448 4.583 -12.755 1.00 0.00 C ATOM 614 C GLU A 130 62.721 5.281 -12.285 1.00 0.00 C ATOM 615 O GLU A 130 63.758 5.228 -12.948 1.00 0.00 O ATOM 616 CB GLU A 130 61.789 3.658 -13.926 1.00 0.00 C ATOM 617 CG GLU A 130 60.922 2.400 -13.851 1.00 0.00 C ATOM 618 CD GLU A 130 61.712 1.207 -14.377 1.00 0.00 C ATOM 619 OE1 GLU A 130 62.881 1.102 -14.044 1.00 0.00 O ATOM 620 OE2 GLU A 130 61.136 0.414 -15.104 1.00 0.00 O ATOM 0 H GLU A 130 60.212 5.552 -14.150 1.00 0.00 H new ATOM 0 HA GLU A 130 61.036 3.996 -11.934 1.00 0.00 H new ATOM 0 HB2 GLU A 130 61.620 4.173 -14.872 1.00 0.00 H new ATOM 0 HB3 GLU A 130 62.844 3.388 -13.894 1.00 0.00 H new ATOM 0 HG2 GLU A 130 60.612 2.220 -12.822 1.00 0.00 H new ATOM 0 HG3 GLU A 130 60.014 2.536 -14.438 1.00 0.00 H new ATOM 627 N ASP A 131 62.630 5.932 -11.130 1.00 0.00 N ATOM 628 CA ASP A 131 63.780 6.637 -10.569 1.00 0.00 C ATOM 629 C ASP A 131 63.700 6.648 -9.047 1.00 0.00 C ATOM 630 O ASP A 131 64.600 6.166 -8.359 1.00 0.00 O ATOM 631 CB ASP A 131 63.827 8.079 -11.077 1.00 0.00 C ATOM 632 CG ASP A 131 64.763 8.165 -12.277 1.00 0.00 C ATOM 633 OD1 ASP A 131 65.307 7.140 -12.653 1.00 0.00 O ATOM 634 OD2 ASP A 131 64.923 9.254 -12.803 1.00 0.00 O ATOM 0 H ASP A 131 61.781 5.987 -10.568 1.00 0.00 H new ATOM 0 HA ASP A 131 64.683 6.115 -10.884 1.00 0.00 H new ATOM 0 HB2 ASP A 131 62.827 8.410 -11.358 1.00 0.00 H new ATOM 0 HB3 ASP A 131 64.172 8.744 -10.285 1.00 0.00 H new ATOM 639 N ASP A 132 62.607 7.201 -8.530 1.00 0.00 N ATOM 640 CA ASP A 132 62.409 7.271 -7.085 1.00 0.00 C ATOM 641 C ASP A 132 62.078 5.892 -6.523 1.00 0.00 C ATOM 642 O ASP A 132 62.063 5.689 -5.309 1.00 0.00 O ATOM 643 CB ASP A 132 61.266 8.230 -6.748 1.00 0.00 C ATOM 644 CG ASP A 132 61.799 9.378 -5.900 1.00 0.00 C ATOM 645 OD1 ASP A 132 61.873 9.212 -4.694 1.00 0.00 O ATOM 646 OD2 ASP A 132 62.124 10.407 -6.469 1.00 0.00 O ATOM 0 H ASP A 132 61.851 7.604 -9.084 1.00 0.00 H new ATOM 0 HA ASP A 132 63.334 7.634 -6.637 1.00 0.00 H new ATOM 0 HB2 ASP A 132 60.820 8.617 -7.664 1.00 0.00 H new ATOM 0 HB3 ASP A 132 60.480 7.701 -6.210 1.00 0.00 H new ATOM 651 N ILE A 133 61.811 4.945 -7.419 1.00 0.00 N ATOM 652 CA ILE A 133 61.479 3.587 -7.002 1.00 0.00 C ATOM 653 C ILE A 133 62.748 2.780 -6.750 1.00 0.00 C ATOM 654 O ILE A 133 63.067 2.434 -5.613 1.00 0.00 O ATOM 655 CB ILE A 133 60.651 2.884 -8.078 1.00 0.00 C ATOM 656 CG1 ILE A 133 59.578 3.843 -8.600 1.00 0.00 C ATOM 657 CG2 ILE A 133 59.982 1.647 -7.480 1.00 0.00 C ATOM 658 CD1 ILE A 133 59.156 3.418 -10.008 1.00 0.00 C ATOM 0 H ILE A 133 61.818 5.091 -8.428 1.00 0.00 H new ATOM 0 HA ILE A 133 60.900 3.652 -6.081 1.00 0.00 H new ATOM 0 HB ILE A 133 61.301 2.583 -8.899 1.00 0.00 H new ATOM 0 HG12 ILE A 133 58.716 3.839 -7.933 1.00 0.00 H new ATOM 0 HG13 ILE A 133 59.963 4.863 -8.616 1.00 0.00 H new ATOM 0 HG21 ILE A 133 59.392 1.146 -8.247 1.00 0.00 H new ATOM 0 HG22 ILE A 133 60.746 0.965 -7.107 1.00 0.00 H new ATOM 0 HG23 ILE A 133 59.331 1.947 -6.659 1.00 0.00 H new ATOM 0 HD11 ILE A 133 58.392 4.100 -10.380 1.00 0.00 H new ATOM 0 HD12 ILE A 133 60.021 3.445 -10.671 1.00 0.00 H new ATOM 0 HD13 ILE A 133 58.754 2.405 -9.977 1.00 0.00 H new ATOM 670 N GLU A 134 63.466 2.484 -7.829 1.00 0.00 N ATOM 671 CA GLU A 134 64.701 1.714 -7.723 1.00 0.00 C ATOM 672 C GLU A 134 65.707 2.435 -6.830 1.00 0.00 C ATOM 673 O GLU A 134 66.323 1.831 -5.952 1.00 0.00 O ATOM 674 CB GLU A 134 65.321 1.508 -9.106 1.00 0.00 C ATOM 675 CG GLU A 134 65.845 0.075 -9.223 1.00 0.00 C ATOM 676 CD GLU A 134 67.368 0.085 -9.163 1.00 0.00 C ATOM 677 OE1 GLU A 134 67.906 0.858 -8.387 1.00 0.00 O ATOM 678 OE2 GLU A 134 67.975 -0.681 -9.894 1.00 0.00 O ATOM 0 H GLU A 134 63.217 2.762 -8.778 1.00 0.00 H new ATOM 0 HA GLU A 134 64.457 0.746 -7.285 1.00 0.00 H new ATOM 0 HB2 GLU A 134 64.579 1.699 -9.881 1.00 0.00 H new ATOM 0 HB3 GLU A 134 66.134 2.217 -9.261 1.00 0.00 H new ATOM 0 HG2 GLU A 134 65.443 -0.538 -8.416 1.00 0.00 H new ATOM 0 HG3 GLU A 134 65.510 -0.371 -10.160 1.00 0.00 H new ATOM 685 N GLU A 135 65.869 3.733 -7.068 1.00 0.00 N ATOM 686 CA GLU A 135 66.808 4.531 -6.282 1.00 0.00 C ATOM 687 C GLU A 135 66.422 4.518 -4.806 1.00 0.00 C ATOM 688 O GLU A 135 67.107 3.921 -3.976 1.00 0.00 O ATOM 689 CB GLU A 135 66.830 5.979 -6.778 1.00 0.00 C ATOM 690 CG GLU A 135 67.974 6.734 -6.098 1.00 0.00 C ATOM 691 CD GLU A 135 69.233 6.627 -6.952 1.00 0.00 C ATOM 692 OE1 GLU A 135 69.154 6.037 -8.017 1.00 0.00 O ATOM 693 OE2 GLU A 135 70.258 7.135 -6.528 1.00 0.00 O ATOM 0 H GLU A 135 65.369 4.251 -7.790 1.00 0.00 H new ATOM 0 HA GLU A 135 67.798 4.091 -6.401 1.00 0.00 H new ATOM 0 HB2 GLU A 135 66.958 6.002 -7.860 1.00 0.00 H new ATOM 0 HB3 GLU A 135 65.879 6.464 -6.559 1.00 0.00 H new ATOM 0 HG2 GLU A 135 67.702 7.781 -5.961 1.00 0.00 H new ATOM 0 HG3 GLU A 135 68.158 6.320 -5.106 1.00 0.00 H new ATOM 700 N LEU A 136 65.319 5.189 -4.489 1.00 0.00 N ATOM 701 CA LEU A 136 64.848 5.255 -3.108 1.00 0.00 C ATOM 702 C LEU A 136 64.874 3.872 -2.464 1.00 0.00 C ATOM 703 O LEU A 136 65.383 3.696 -1.358 1.00 0.00 O ATOM 704 CB LEU A 136 63.421 5.804 -3.056 1.00 0.00 C ATOM 705 CG LEU A 136 63.169 6.449 -1.693 1.00 0.00 C ATOM 706 CD1 LEU A 136 61.914 7.320 -1.765 1.00 0.00 C ATOM 707 CD2 LEU A 136 62.970 5.356 -0.640 1.00 0.00 C ATOM 0 H LEU A 136 64.739 5.691 -5.162 1.00 0.00 H new ATOM 0 HA LEU A 136 65.514 5.920 -2.559 1.00 0.00 H new ATOM 0 HB2 LEU A 136 63.273 6.537 -3.849 1.00 0.00 H new ATOM 0 HB3 LEU A 136 62.705 5.000 -3.227 1.00 0.00 H new ATOM 0 HG LEU A 136 64.025 7.066 -1.420 1.00 0.00 H new ATOM 0 HD11 LEU A 136 61.734 7.780 -0.793 1.00 0.00 H new ATOM 0 HD12 LEU A 136 62.054 8.099 -2.515 1.00 0.00 H new ATOM 0 HD13 LEU A 136 61.058 6.703 -2.038 1.00 0.00 H new ATOM 0 HD21 LEU A 136 62.790 5.816 0.332 1.00 0.00 H new ATOM 0 HD22 LEU A 136 62.114 4.739 -0.913 1.00 0.00 H new ATOM 0 HD23 LEU A 136 63.864 4.734 -0.588 1.00 0.00 H new ATOM 719 N MET A 137 64.314 2.893 -3.169 1.00 0.00 N ATOM 720 CA MET A 137 64.274 1.525 -2.658 1.00 0.00 C ATOM 721 C MET A 137 65.668 1.065 -2.241 1.00 0.00 C ATOM 722 O MET A 137 65.823 0.268 -1.316 1.00 0.00 O ATOM 723 CB MET A 137 63.735 0.569 -3.725 1.00 0.00 C ATOM 724 CG MET A 137 63.698 -0.854 -3.164 1.00 0.00 C ATOM 725 SD MET A 137 63.908 -2.042 -4.514 1.00 0.00 S ATOM 726 CE MET A 137 62.496 -3.099 -4.109 1.00 0.00 C ATOM 0 H MET A 137 63.886 3.018 -4.086 1.00 0.00 H new ATOM 0 HA MET A 137 63.614 1.513 -1.791 1.00 0.00 H new ATOM 0 HB2 MET A 137 62.735 0.876 -4.032 1.00 0.00 H new ATOM 0 HB3 MET A 137 64.366 0.605 -4.613 1.00 0.00 H new ATOM 0 HG2 MET A 137 64.488 -0.985 -2.424 1.00 0.00 H new ATOM 0 HG3 MET A 137 62.751 -1.031 -2.654 1.00 0.00 H new ATOM 0 HE1 MET A 137 62.455 -3.935 -4.808 1.00 0.00 H new ATOM 0 HE2 MET A 137 62.606 -3.480 -3.094 1.00 0.00 H new ATOM 0 HE3 MET A 137 61.575 -2.520 -4.182 1.00 0.00 H new ATOM 736 N LYS A 138 66.680 1.571 -2.939 1.00 0.00 N ATOM 737 CA LYS A 138 68.061 1.199 -2.639 1.00 0.00 C ATOM 738 C LYS A 138 68.585 1.966 -1.427 1.00 0.00 C ATOM 739 O LYS A 138 69.757 1.856 -1.069 1.00 0.00 O ATOM 740 CB LYS A 138 68.963 1.491 -3.839 1.00 0.00 C ATOM 741 CG LYS A 138 68.650 0.504 -4.964 1.00 0.00 C ATOM 742 CD LYS A 138 69.703 -0.606 -4.977 1.00 0.00 C ATOM 743 CE LYS A 138 69.084 -1.891 -5.530 1.00 0.00 C ATOM 744 NZ LYS A 138 70.040 -2.536 -6.473 1.00 0.00 N ATOM 0 H LYS A 138 66.574 2.232 -3.708 1.00 0.00 H new ATOM 0 HA LYS A 138 68.075 0.132 -2.418 1.00 0.00 H new ATOM 0 HB2 LYS A 138 68.808 2.513 -4.184 1.00 0.00 H new ATOM 0 HB3 LYS A 138 70.010 1.408 -3.549 1.00 0.00 H new ATOM 0 HG2 LYS A 138 67.657 0.077 -4.821 1.00 0.00 H new ATOM 0 HG3 LYS A 138 68.640 1.021 -5.923 1.00 0.00 H new ATOM 0 HD2 LYS A 138 70.554 -0.307 -5.589 1.00 0.00 H new ATOM 0 HD3 LYS A 138 70.080 -0.776 -3.968 1.00 0.00 H new ATOM 0 HE2 LYS A 138 68.845 -2.573 -4.714 1.00 0.00 H new ATOM 0 HE3 LYS A 138 68.148 -1.666 -6.041 1.00 0.00 H new ATOM 0 HZ1 LYS A 138 69.620 -3.410 -6.850 1.00 0.00 H new ATOM 0 HZ2 LYS A 138 70.246 -1.885 -7.257 1.00 0.00 H new ATOM 0 HZ3 LYS A 138 70.922 -2.764 -5.971 1.00 0.00 H new ATOM 758 N ASP A 139 67.707 2.743 -0.797 1.00 0.00 N ATOM 759 CA ASP A 139 68.105 3.519 0.375 1.00 0.00 C ATOM 760 C ASP A 139 67.982 2.674 1.639 1.00 0.00 C ATOM 761 O ASP A 139 68.879 2.660 2.482 1.00 0.00 O ATOM 762 CB ASP A 139 67.229 4.764 0.523 1.00 0.00 C ATOM 763 CG ASP A 139 67.724 5.595 1.702 1.00 0.00 C ATOM 764 OD1 ASP A 139 67.710 5.084 2.810 1.00 0.00 O ATOM 765 OD2 ASP A 139 68.111 6.731 1.480 1.00 0.00 O ATOM 0 H ASP A 139 66.731 2.852 -1.072 1.00 0.00 H new ATOM 0 HA ASP A 139 69.143 3.823 0.237 1.00 0.00 H new ATOM 0 HB2 ASP A 139 67.261 5.356 -0.392 1.00 0.00 H new ATOM 0 HB3 ASP A 139 66.190 4.474 0.679 1.00 0.00 H new ATOM 770 N GLY A 140 66.861 1.969 1.761 1.00 0.00 N ATOM 771 CA GLY A 140 66.630 1.122 2.928 1.00 0.00 C ATOM 772 C GLY A 140 66.563 -0.347 2.526 1.00 0.00 C ATOM 773 O GLY A 140 65.640 -1.068 2.903 1.00 0.00 O ATOM 0 H GLY A 140 66.106 1.966 1.075 1.00 0.00 H new ATOM 0 HA2 GLY A 140 67.430 1.269 3.654 1.00 0.00 H new ATOM 0 HA3 GLY A 140 65.700 1.413 3.416 1.00 0.00 H new ATOM 777 N ASP A 141 67.555 -0.783 1.753 1.00 0.00 N ATOM 778 CA ASP A 141 67.601 -2.172 1.302 1.00 0.00 C ATOM 779 C ASP A 141 68.976 -2.775 1.566 1.00 0.00 C ATOM 780 O ASP A 141 69.548 -3.451 0.710 1.00 0.00 O ATOM 781 CB ASP A 141 67.300 -2.258 -0.195 1.00 0.00 C ATOM 782 CG ASP A 141 67.057 -3.713 -0.581 1.00 0.00 C ATOM 783 OD1 ASP A 141 66.860 -4.517 0.314 1.00 0.00 O ATOM 784 OD2 ASP A 141 67.071 -4.000 -1.767 1.00 0.00 O ATOM 0 H ASP A 141 68.329 -0.203 1.429 1.00 0.00 H new ATOM 0 HA ASP A 141 66.847 -2.730 1.858 1.00 0.00 H new ATOM 0 HB2 ASP A 141 66.424 -1.655 -0.436 1.00 0.00 H new ATOM 0 HB3 ASP A 141 68.134 -1.853 -0.768 1.00 0.00 H new ATOM 789 N LYS A 142 69.500 -2.525 2.762 1.00 0.00 N ATOM 790 CA LYS A 142 70.811 -3.050 3.132 1.00 0.00 C ATOM 791 C LYS A 142 70.980 -4.473 2.609 1.00 0.00 C ATOM 792 O LYS A 142 72.053 -4.856 2.143 1.00 0.00 O ATOM 793 CB LYS A 142 70.978 -3.055 4.653 1.00 0.00 C ATOM 794 CG LYS A 142 71.638 -1.748 5.101 1.00 0.00 C ATOM 795 CD LYS A 142 73.000 -1.602 4.417 1.00 0.00 C ATOM 796 CE LYS A 142 73.939 -0.794 5.314 1.00 0.00 C ATOM 797 NZ LYS A 142 73.517 0.635 5.313 1.00 0.00 N ATOM 0 H LYS A 142 69.043 -1.969 3.485 1.00 0.00 H new ATOM 0 HA LYS A 142 71.569 -2.405 2.687 1.00 0.00 H new ATOM 0 HB2 LYS A 142 70.007 -3.168 5.135 1.00 0.00 H new ATOM 0 HB3 LYS A 142 71.587 -3.906 4.959 1.00 0.00 H new ATOM 0 HG2 LYS A 142 71.000 -0.901 4.849 1.00 0.00 H new ATOM 0 HG3 LYS A 142 71.761 -1.743 6.184 1.00 0.00 H new ATOM 0 HD2 LYS A 142 73.426 -2.585 4.219 1.00 0.00 H new ATOM 0 HD3 LYS A 142 72.883 -1.105 3.454 1.00 0.00 H new ATOM 0 HE2 LYS A 142 73.919 -1.190 6.329 1.00 0.00 H new ATOM 0 HE3 LYS A 142 74.965 -0.882 4.957 1.00 0.00 H new ATOM 0 HZ1 LYS A 142 74.155 1.186 5.923 1.00 0.00 H new ATOM 0 HZ2 LYS A 142 73.557 1.008 4.343 1.00 0.00 H new ATOM 0 HZ3 LYS A 142 72.544 0.710 5.673 1.00 0.00 H new ATOM 811 N ASN A 143 69.905 -5.252 2.694 1.00 0.00 N ATOM 812 CA ASN A 143 69.940 -6.636 2.228 1.00 0.00 C ATOM 813 C ASN A 143 70.504 -6.707 0.812 1.00 0.00 C ATOM 814 O ASN A 143 71.201 -7.656 0.453 1.00 0.00 O ATOM 815 CB ASN A 143 68.535 -7.241 2.237 1.00 0.00 C ATOM 816 CG ASN A 143 68.524 -8.488 3.113 1.00 0.00 C ATOM 817 OD1 ASN A 143 69.565 -9.109 3.333 1.00 0.00 O ATOM 818 ND2 ASN A 143 67.399 -8.897 3.632 1.00 0.00 N ATOM 0 H ASN A 143 69.008 -4.953 3.077 1.00 0.00 H new ATOM 0 HA ASN A 143 70.581 -7.202 2.903 1.00 0.00 H new ATOM 0 HB2 ASN A 143 67.816 -6.513 2.613 1.00 0.00 H new ATOM 0 HB3 ASN A 143 68.230 -7.494 1.222 1.00 0.00 H new ATOM 0 HD21 ASN A 143 67.382 -9.731 4.220 1.00 0.00 H new ATOM 0 HD22 ASN A 143 66.537 -8.383 3.450 1.00 0.00 H new ATOM 825 N ASN A 144 70.193 -5.690 0.011 1.00 0.00 N ATOM 826 CA ASN A 144 70.673 -5.644 -1.368 1.00 0.00 C ATOM 827 C ASN A 144 69.970 -6.703 -2.212 1.00 0.00 C ATOM 828 O ASN A 144 70.614 -7.502 -2.892 1.00 0.00 O ATOM 829 CB ASN A 144 72.183 -5.888 -1.418 1.00 0.00 C ATOM 830 CG ASN A 144 72.685 -5.692 -2.844 1.00 0.00 C ATOM 831 OD1 ASN A 144 72.392 -4.679 -3.480 1.00 0.00 O ATOM 832 ND2 ASN A 144 73.432 -6.612 -3.391 1.00 0.00 N ATOM 0 H ASN A 144 69.617 -4.895 0.289 1.00 0.00 H new ATOM 0 HA ASN A 144 70.452 -4.655 -1.768 1.00 0.00 H new ATOM 0 HB2 ASN A 144 72.695 -5.202 -0.744 1.00 0.00 H new ATOM 0 HB3 ASN A 144 72.410 -6.898 -1.077 1.00 0.00 H new ATOM 0 HD21 ASN A 144 73.773 -6.492 -4.345 1.00 0.00 H new ATOM 0 HD22 ASN A 144 73.675 -7.451 -2.865 1.00 0.00 H new ATOM 839 N ASP A 145 68.641 -6.700 -2.160 1.00 0.00 N ATOM 840 CA ASP A 145 67.859 -7.667 -2.925 1.00 0.00 C ATOM 841 C ASP A 145 66.505 -7.077 -3.309 1.00 0.00 C ATOM 842 O ASP A 145 65.522 -7.799 -3.475 1.00 0.00 O ATOM 843 CB ASP A 145 67.632 -8.939 -2.106 1.00 0.00 C ATOM 844 CG ASP A 145 67.640 -10.148 -3.033 1.00 0.00 C ATOM 845 OD1 ASP A 145 67.902 -9.966 -4.211 1.00 0.00 O ATOM 846 OD2 ASP A 145 67.383 -11.240 -2.553 1.00 0.00 O ATOM 0 H ASP A 145 68.088 -6.048 -1.604 1.00 0.00 H new ATOM 0 HA ASP A 145 68.418 -7.910 -3.828 1.00 0.00 H new ATOM 0 HB2 ASP A 145 68.411 -9.042 -1.350 1.00 0.00 H new ATOM 0 HB3 ASP A 145 66.681 -8.879 -1.577 1.00 0.00 H new ATOM 851 N GLY A 146 66.467 -5.755 -3.448 1.00 0.00 N ATOM 852 CA GLY A 146 65.229 -5.072 -3.815 1.00 0.00 C ATOM 853 C GLY A 146 64.074 -5.534 -2.933 1.00 0.00 C ATOM 854 O GLY A 146 63.039 -5.985 -3.425 1.00 0.00 O ATOM 0 H GLY A 146 67.270 -5.140 -3.314 1.00 0.00 H new ATOM 0 HA2 GLY A 146 65.360 -3.994 -3.716 1.00 0.00 H new ATOM 0 HA3 GLY A 146 64.995 -5.270 -4.861 1.00 0.00 H new ATOM 858 N ARG A 147 64.262 -5.416 -1.622 1.00 0.00 N ATOM 859 CA ARG A 147 63.228 -5.825 -0.676 1.00 0.00 C ATOM 860 C ARG A 147 63.502 -5.236 0.704 1.00 0.00 C ATOM 861 O ARG A 147 64.634 -4.881 1.032 1.00 0.00 O ATOM 862 CB ARG A 147 63.176 -7.349 -0.564 1.00 0.00 C ATOM 863 CG ARG A 147 62.120 -7.748 0.469 1.00 0.00 C ATOM 864 CD ARG A 147 61.794 -9.234 0.318 1.00 0.00 C ATOM 865 NE ARG A 147 60.656 -9.423 -0.578 1.00 0.00 N ATOM 866 CZ ARG A 147 60.294 -10.639 -0.977 1.00 0.00 C ATOM 867 NH1 ARG A 147 60.961 -11.684 -0.572 1.00 0.00 N ATOM 868 NH2 ARG A 147 59.272 -10.786 -1.776 1.00 0.00 N ATOM 0 H ARG A 147 65.110 -5.045 -1.194 1.00 0.00 H new ATOM 0 HA ARG A 147 62.272 -5.455 -1.046 1.00 0.00 H new ATOM 0 HB2 ARG A 147 62.937 -7.788 -1.533 1.00 0.00 H new ATOM 0 HB3 ARG A 147 64.152 -7.736 -0.271 1.00 0.00 H new ATOM 0 HG2 ARG A 147 62.486 -7.546 1.476 1.00 0.00 H new ATOM 0 HG3 ARG A 147 61.218 -7.151 0.332 1.00 0.00 H new ATOM 0 HD2 ARG A 147 62.663 -9.764 -0.072 1.00 0.00 H new ATOM 0 HD3 ARG A 147 61.570 -9.664 1.294 1.00 0.00 H new ATOM 0 HE ARG A 147 60.131 -8.611 -0.902 1.00 0.00 H new ATOM 0 HH11 ARG A 147 61.760 -11.569 0.051 1.00 0.00 H new ATOM 0 HH12 ARG A 147 60.683 -12.616 -0.878 1.00 0.00 H new ATOM 0 HH21 ARG A 147 58.752 -9.968 -2.094 1.00 0.00 H new ATOM 0 HH22 ARG A 147 58.994 -11.718 -2.082 1.00 0.00 H new ATOM 882 N ILE A 148 62.449 -5.141 1.510 1.00 0.00 N ATOM 883 CA ILE A 148 62.580 -4.596 2.859 1.00 0.00 C ATOM 884 C ILE A 148 61.992 -5.564 3.879 1.00 0.00 C ATOM 885 O ILE A 148 61.001 -6.244 3.612 1.00 0.00 O ATOM 886 CB ILE A 148 61.853 -3.253 2.979 1.00 0.00 C ATOM 887 CG1 ILE A 148 61.792 -2.570 1.608 1.00 0.00 C ATOM 888 CG2 ILE A 148 62.600 -2.355 3.966 1.00 0.00 C ATOM 889 CD1 ILE A 148 63.183 -2.071 1.213 1.00 0.00 C ATOM 0 H ILE A 148 61.504 -5.431 1.257 1.00 0.00 H new ATOM 0 HA ILE A 148 63.642 -4.449 3.056 1.00 0.00 H new ATOM 0 HB ILE A 148 60.838 -3.424 3.339 1.00 0.00 H new ATOM 0 HG12 ILE A 148 61.421 -3.270 0.859 1.00 0.00 H new ATOM 0 HG13 ILE A 148 61.092 -1.735 1.639 1.00 0.00 H new ATOM 0 HG21 ILE A 148 62.083 -1.399 4.052 1.00 0.00 H new ATOM 0 HG22 ILE A 148 62.635 -2.838 4.943 1.00 0.00 H new ATOM 0 HG23 ILE A 148 63.616 -2.187 3.608 1.00 0.00 H new ATOM 0 HD11 ILE A 148 63.132 -1.587 0.238 1.00 0.00 H new ATOM 0 HD12 ILE A 148 63.537 -1.356 1.955 1.00 0.00 H new ATOM 0 HD13 ILE A 148 63.872 -2.914 1.164 1.00 0.00 H new ATOM 901 N ASP A 149 62.613 -5.618 5.054 1.00 0.00 N ATOM 902 CA ASP A 149 62.140 -6.506 6.112 1.00 0.00 C ATOM 903 C ASP A 149 61.866 -5.714 7.386 1.00 0.00 C ATOM 904 O ASP A 149 62.303 -4.572 7.532 1.00 0.00 O ATOM 905 CB ASP A 149 63.178 -7.589 6.412 1.00 0.00 C ATOM 906 CG ASP A 149 62.559 -8.651 7.314 1.00 0.00 C ATOM 907 OD1 ASP A 149 61.377 -8.914 7.161 1.00 0.00 O ATOM 908 OD2 ASP A 149 63.275 -9.187 8.144 1.00 0.00 O ATOM 0 H ASP A 149 63.435 -5.065 5.296 1.00 0.00 H new ATOM 0 HA ASP A 149 61.219 -6.976 5.768 1.00 0.00 H new ATOM 0 HB2 ASP A 149 63.525 -8.043 5.483 1.00 0.00 H new ATOM 0 HB3 ASP A 149 64.049 -7.148 6.896 1.00 0.00 H new ATOM 913 N TYR A 150 61.133 -6.334 8.306 1.00 0.00 N ATOM 914 CA TYR A 150 60.799 -5.681 9.569 1.00 0.00 C ATOM 915 C TYR A 150 62.011 -4.942 10.129 1.00 0.00 C ATOM 916 O TYR A 150 61.884 -3.867 10.715 1.00 0.00 O ATOM 917 CB TYR A 150 60.330 -6.713 10.597 1.00 0.00 C ATOM 918 CG TYR A 150 59.262 -6.102 11.472 1.00 0.00 C ATOM 919 CD1 TYR A 150 58.198 -5.402 10.892 1.00 0.00 C ATOM 920 CD2 TYR A 150 59.336 -6.236 12.864 1.00 0.00 C ATOM 921 CE1 TYR A 150 57.208 -4.835 11.703 1.00 0.00 C ATOM 922 CE2 TYR A 150 58.345 -5.670 13.675 1.00 0.00 C ATOM 923 CZ TYR A 150 57.282 -4.969 13.095 1.00 0.00 C ATOM 924 OH TYR A 150 56.306 -4.410 13.894 1.00 0.00 O ATOM 0 H TYR A 150 60.762 -7.278 8.203 1.00 0.00 H new ATOM 0 HA TYR A 150 59.998 -4.968 9.374 1.00 0.00 H new ATOM 0 HB2 TYR A 150 59.939 -7.595 10.090 1.00 0.00 H new ATOM 0 HB3 TYR A 150 61.171 -7.042 11.207 1.00 0.00 H new ATOM 0 HD1 TYR A 150 58.141 -5.299 9.818 1.00 0.00 H new ATOM 0 HD2 TYR A 150 60.157 -6.776 13.312 1.00 0.00 H new ATOM 0 HE1 TYR A 150 56.387 -4.294 11.255 1.00 0.00 H new ATOM 0 HE2 TYR A 150 58.401 -5.774 14.748 1.00 0.00 H new ATOM 0 HH TYR A 150 56.507 -4.596 14.835 1.00 0.00 H new ATOM 934 N ASP A 151 63.187 -5.534 9.946 1.00 0.00 N ATOM 935 CA ASP A 151 64.419 -4.926 10.442 1.00 0.00 C ATOM 936 C ASP A 151 64.748 -3.660 9.657 1.00 0.00 C ATOM 937 O ASP A 151 64.770 -2.559 10.207 1.00 0.00 O ATOM 938 CB ASP A 151 65.589 -5.904 10.320 1.00 0.00 C ATOM 939 CG ASP A 151 65.939 -6.455 11.698 1.00 0.00 C ATOM 940 OD1 ASP A 151 65.115 -6.335 12.589 1.00 0.00 O ATOM 941 OD2 ASP A 151 67.026 -6.990 11.841 1.00 0.00 O ATOM 0 H ASP A 151 63.314 -6.424 9.464 1.00 0.00 H new ATOM 0 HA ASP A 151 64.265 -4.673 11.491 1.00 0.00 H new ATOM 0 HB2 ASP A 151 65.326 -6.720 9.647 1.00 0.00 H new ATOM 0 HB3 ASP A 151 66.454 -5.401 9.888 1.00 0.00 H new ATOM 946 N GLU A 152 65.007 -3.830 8.363 1.00 0.00 N ATOM 947 CA GLU A 152 65.339 -2.697 7.507 1.00 0.00 C ATOM 948 C GLU A 152 64.213 -1.669 7.520 1.00 0.00 C ATOM 949 O GLU A 152 64.453 -0.462 7.489 1.00 0.00 O ATOM 950 CB GLU A 152 65.567 -3.169 6.071 1.00 0.00 C ATOM 951 CG GLU A 152 66.806 -4.066 6.018 1.00 0.00 C ATOM 952 CD GLU A 152 66.893 -4.732 4.649 1.00 0.00 C ATOM 953 OE1 GLU A 152 65.924 -4.655 3.912 1.00 0.00 O ATOM 954 OE2 GLU A 152 67.927 -5.310 4.358 1.00 0.00 O ATOM 0 H GLU A 152 64.994 -4.733 7.889 1.00 0.00 H new ATOM 0 HA GLU A 152 66.250 -2.238 7.891 1.00 0.00 H new ATOM 0 HB2 GLU A 152 64.694 -3.715 5.714 1.00 0.00 H new ATOM 0 HB3 GLU A 152 65.698 -2.311 5.412 1.00 0.00 H new ATOM 0 HG2 GLU A 152 67.703 -3.476 6.205 1.00 0.00 H new ATOM 0 HG3 GLU A 152 66.754 -4.823 6.800 1.00 0.00 H new ATOM 961 N PHE A 153 62.980 -2.163 7.566 1.00 0.00 N ATOM 962 CA PHE A 153 61.816 -1.282 7.582 1.00 0.00 C ATOM 963 C PHE A 153 61.700 -0.574 8.929 1.00 0.00 C ATOM 964 O PHE A 153 61.313 0.592 9.003 1.00 0.00 O ATOM 965 CB PHE A 153 60.539 -2.084 7.326 1.00 0.00 C ATOM 966 CG PHE A 153 59.446 -1.154 6.853 1.00 0.00 C ATOM 967 CD1 PHE A 153 58.704 -0.417 7.783 1.00 0.00 C ATOM 968 CD2 PHE A 153 59.177 -1.029 5.485 1.00 0.00 C ATOM 969 CE1 PHE A 153 57.691 0.445 7.345 1.00 0.00 C ATOM 970 CE2 PHE A 153 58.164 -0.168 5.047 1.00 0.00 C ATOM 971 CZ PHE A 153 57.421 0.570 5.977 1.00 0.00 C ATOM 0 H PHE A 153 62.761 -3.159 7.593 1.00 0.00 H new ATOM 0 HA PHE A 153 61.943 -0.539 6.794 1.00 0.00 H new ATOM 0 HB2 PHE A 153 60.725 -2.854 6.578 1.00 0.00 H new ATOM 0 HB3 PHE A 153 60.228 -2.594 8.238 1.00 0.00 H new ATOM 0 HD1 PHE A 153 58.913 -0.513 8.838 1.00 0.00 H new ATOM 0 HD2 PHE A 153 59.751 -1.597 4.768 1.00 0.00 H new ATOM 0 HE1 PHE A 153 57.118 1.013 8.063 1.00 0.00 H new ATOM 0 HE2 PHE A 153 57.955 -0.073 3.992 1.00 0.00 H new ATOM 0 HZ PHE A 153 56.640 1.235 5.639 1.00 0.00 H new ATOM 981 N LEU A 154 62.040 -1.296 9.993 1.00 0.00 N ATOM 982 CA LEU A 154 61.972 -0.732 11.339 1.00 0.00 C ATOM 983 C LEU A 154 63.016 0.367 11.513 1.00 0.00 C ATOM 984 O LEU A 154 62.936 1.178 12.436 1.00 0.00 O ATOM 985 CB LEU A 154 62.218 -1.819 12.386 1.00 0.00 C ATOM 986 CG LEU A 154 60.897 -2.513 12.721 1.00 0.00 C ATOM 987 CD1 LEU A 154 61.181 -3.828 13.447 1.00 0.00 C ATOM 988 CD2 LEU A 154 60.060 -1.603 13.622 1.00 0.00 C ATOM 0 H LEU A 154 62.362 -2.263 9.952 1.00 0.00 H new ATOM 0 HA LEU A 154 60.976 -0.311 11.476 1.00 0.00 H new ATOM 0 HB2 LEU A 154 62.937 -2.546 12.009 1.00 0.00 H new ATOM 0 HB3 LEU A 154 62.649 -1.381 13.286 1.00 0.00 H new ATOM 0 HG LEU A 154 60.350 -2.718 11.801 1.00 0.00 H new ATOM 0 HD11 LEU A 154 60.239 -4.323 13.686 1.00 0.00 H new ATOM 0 HD12 LEU A 154 61.779 -4.476 12.806 1.00 0.00 H new ATOM 0 HD13 LEU A 154 61.728 -3.625 14.368 1.00 0.00 H new ATOM 0 HD21 LEU A 154 59.118 -2.096 13.862 1.00 0.00 H new ATOM 0 HD22 LEU A 154 60.607 -1.399 14.542 1.00 0.00 H new ATOM 0 HD23 LEU A 154 59.858 -0.665 13.105 1.00 0.00 H new ATOM 1000 N GLU A 155 63.998 0.384 10.615 1.00 0.00 N ATOM 1001 CA GLU A 155 65.058 1.388 10.679 1.00 0.00 C ATOM 1002 C GLU A 155 64.680 2.617 9.858 1.00 0.00 C ATOM 1003 O GLU A 155 64.256 3.639 10.400 1.00 0.00 O ATOM 1004 CB GLU A 155 66.371 0.818 10.139 1.00 0.00 C ATOM 1005 CG GLU A 155 67.083 0.037 11.245 1.00 0.00 C ATOM 1006 CD GLU A 155 68.573 0.362 11.221 1.00 0.00 C ATOM 1007 OE1 GLU A 155 68.917 1.495 11.514 1.00 0.00 O ATOM 1008 OE2 GLU A 155 69.347 -0.527 10.909 1.00 0.00 O ATOM 0 H GLU A 155 64.082 -0.277 9.843 1.00 0.00 H new ATOM 0 HA GLU A 155 65.186 1.672 11.724 1.00 0.00 H new ATOM 0 HB2 GLU A 155 66.174 0.166 9.288 1.00 0.00 H new ATOM 0 HB3 GLU A 155 67.010 1.625 9.781 1.00 0.00 H new ATOM 0 HG2 GLU A 155 66.660 0.294 12.216 1.00 0.00 H new ATOM 0 HG3 GLU A 155 66.931 -1.033 11.104 1.00 0.00 H new ATOM 1015 N PHE A 156 64.843 2.506 8.544 1.00 0.00 N ATOM 1016 CA PHE A 156 64.522 3.613 7.649 1.00 0.00 C ATOM 1017 C PHE A 156 63.122 4.146 7.934 1.00 0.00 C ATOM 1018 O PHE A 156 62.865 5.345 7.821 1.00 0.00 O ATOM 1019 CB PHE A 156 64.594 3.160 6.191 1.00 0.00 C ATOM 1020 CG PHE A 156 64.776 4.365 5.300 1.00 0.00 C ATOM 1021 CD1 PHE A 156 65.904 5.180 5.447 1.00 0.00 C ATOM 1022 CD2 PHE A 156 63.815 4.668 4.328 1.00 0.00 C ATOM 1023 CE1 PHE A 156 66.073 6.298 4.621 1.00 0.00 C ATOM 1024 CE2 PHE A 156 63.983 5.786 3.502 1.00 0.00 C ATOM 1025 CZ PHE A 156 65.112 6.601 3.649 1.00 0.00 C ATOM 0 H PHE A 156 65.192 1.669 8.078 1.00 0.00 H new ATOM 0 HA PHE A 156 65.252 4.404 7.821 1.00 0.00 H new ATOM 0 HB2 PHE A 156 65.423 2.465 6.055 1.00 0.00 H new ATOM 0 HB3 PHE A 156 63.683 2.627 5.919 1.00 0.00 H new ATOM 0 HD1 PHE A 156 66.644 4.947 6.198 1.00 0.00 H new ATOM 0 HD2 PHE A 156 62.944 4.039 4.215 1.00 0.00 H new ATOM 0 HE1 PHE A 156 66.944 6.926 4.734 1.00 0.00 H new ATOM 0 HE2 PHE A 156 63.242 6.020 2.752 1.00 0.00 H new ATOM 0 HZ PHE A 156 65.242 7.464 3.012 1.00 0.00 H new ATOM 1035 N MET A 157 62.219 3.244 8.301 1.00 0.00 N ATOM 1036 CA MET A 157 60.844 3.638 8.596 1.00 0.00 C ATOM 1037 C MET A 157 60.621 3.717 10.103 1.00 0.00 C ATOM 1038 O MET A 157 59.799 2.992 10.663 1.00 0.00 O ATOM 1039 CB MET A 157 59.858 2.635 7.994 1.00 0.00 C ATOM 1040 CG MET A 157 58.905 3.366 7.045 1.00 0.00 C ATOM 1041 SD MET A 157 59.475 3.158 5.339 1.00 0.00 S ATOM 1042 CE MET A 157 60.195 4.806 5.135 1.00 0.00 C ATOM 0 H MET A 157 62.409 2.247 8.401 1.00 0.00 H new ATOM 0 HA MET A 157 60.674 4.620 8.155 1.00 0.00 H new ATOM 0 HB2 MET A 157 60.398 1.856 7.456 1.00 0.00 H new ATOM 0 HB3 MET A 157 59.294 2.143 8.786 1.00 0.00 H new ATOM 0 HG2 MET A 157 57.894 2.972 7.153 1.00 0.00 H new ATOM 0 HG3 MET A 157 58.863 4.425 7.299 1.00 0.00 H new ATOM 0 HE1 MET A 157 60.629 4.893 4.139 1.00 0.00 H new ATOM 0 HE2 MET A 157 59.418 5.560 5.259 1.00 0.00 H new ATOM 0 HE3 MET A 157 60.972 4.959 5.884 1.00 0.00 H new ATOM 1052 N LYS A 158 61.362 4.612 10.753 1.00 0.00 N ATOM 1053 CA LYS A 158 61.237 4.785 12.198 1.00 0.00 C ATOM 1054 C LYS A 158 59.955 5.541 12.531 1.00 0.00 C ATOM 1055 O LYS A 158 59.988 6.605 13.150 1.00 0.00 O ATOM 1056 CB LYS A 158 62.433 5.563 12.751 1.00 0.00 C ATOM 1057 CG LYS A 158 62.562 5.302 14.254 1.00 0.00 C ATOM 1058 CD LYS A 158 63.933 5.777 14.741 1.00 0.00 C ATOM 1059 CE LYS A 158 64.203 7.187 14.213 1.00 0.00 C ATOM 1060 NZ LYS A 158 64.817 8.013 15.292 1.00 0.00 N ATOM 0 H LYS A 158 62.048 5.222 10.308 1.00 0.00 H new ATOM 0 HA LYS A 158 61.207 3.796 12.655 1.00 0.00 H new ATOM 0 HB2 LYS A 158 63.346 5.259 12.239 1.00 0.00 H new ATOM 0 HB3 LYS A 158 62.303 6.629 12.566 1.00 0.00 H new ATOM 0 HG2 LYS A 158 61.772 5.825 14.793 1.00 0.00 H new ATOM 0 HG3 LYS A 158 62.440 4.239 14.461 1.00 0.00 H new ATOM 0 HD2 LYS A 158 63.965 5.773 15.831 1.00 0.00 H new ATOM 0 HD3 LYS A 158 64.709 5.094 14.397 1.00 0.00 H new ATOM 0 HE2 LYS A 158 64.869 7.143 13.351 1.00 0.00 H new ATOM 0 HE3 LYS A 158 63.273 7.644 13.875 1.00 0.00 H new ATOM 0 HZ1 LYS A 158 65.001 8.972 14.933 1.00 0.00 H new ATOM 0 HZ2 LYS A 158 64.167 8.065 16.102 1.00 0.00 H new ATOM 0 HZ3 LYS A 158 65.712 7.579 15.594 1.00 0.00 H new ATOM 1074 N GLY A 159 58.825 4.979 12.113 1.00 0.00 N ATOM 1075 CA GLY A 159 57.533 5.606 12.371 1.00 0.00 C ATOM 1076 C GLY A 159 57.401 6.914 11.600 1.00 0.00 C ATOM 1077 O GLY A 159 57.340 7.995 12.187 1.00 0.00 O ATOM 0 H GLY A 159 58.777 4.099 11.599 1.00 0.00 H new ATOM 0 HA2 GLY A 159 56.730 4.927 12.083 1.00 0.00 H new ATOM 0 HA3 GLY A 159 57.423 5.796 13.439 1.00 0.00 H new ATOM 1081 N VAL A 160 57.356 6.805 10.275 1.00 0.00 N ATOM 1082 CA VAL A 160 57.229 7.987 9.428 1.00 0.00 C ATOM 1083 C VAL A 160 55.779 8.460 9.391 1.00 0.00 C ATOM 1084 O VAL A 160 55.453 9.546 9.870 1.00 0.00 O ATOM 1085 CB VAL A 160 57.690 7.679 8.002 1.00 0.00 C ATOM 1086 CG1 VAL A 160 57.721 8.972 7.186 1.00 0.00 C ATOM 1087 CG2 VAL A 160 59.093 7.068 8.039 1.00 0.00 C ATOM 0 H VAL A 160 57.405 5.921 9.769 1.00 0.00 H new ATOM 0 HA VAL A 160 57.858 8.771 9.849 1.00 0.00 H new ATOM 0 HB VAL A 160 56.998 6.974 7.542 1.00 0.00 H new ATOM 0 HG11 VAL A 160 58.049 8.753 6.170 1.00 0.00 H new ATOM 0 HG12 VAL A 160 56.723 9.409 7.159 1.00 0.00 H new ATOM 0 HG13 VAL A 160 58.413 9.677 7.647 1.00 0.00 H new ATOM 0 HG21 VAL A 160 59.421 6.849 7.023 1.00 0.00 H new ATOM 0 HG22 VAL A 160 59.785 7.773 8.500 1.00 0.00 H new ATOM 0 HG23 VAL A 160 59.073 6.146 8.621 1.00 0.00 H new ATOM 1097 N GLU A 161 54.913 7.629 8.817 1.00 0.00 N ATOM 1098 CA GLU A 161 53.494 7.967 8.721 1.00 0.00 C ATOM 1099 C GLU A 161 52.660 6.705 8.523 1.00 0.00 C ATOM 1100 O GLU A 161 51.934 6.349 9.436 1.00 0.00 O ATOM 1101 CB GLU A 161 53.243 8.917 7.548 1.00 0.00 C ATOM 1102 CG GLU A 161 51.868 9.569 7.704 1.00 0.00 C ATOM 1103 CD GLU A 161 50.859 8.853 6.812 1.00 0.00 C ATOM 1104 OE1 GLU A 161 51.214 7.827 6.254 1.00 0.00 O ATOM 1105 OE2 GLU A 161 49.746 9.341 6.700 1.00 0.00 O ATOM 1106 OXT GLU A 161 52.758 6.115 7.460 1.00 0.00 O ATOM 0 H GLU A 161 55.164 6.726 8.415 1.00 0.00 H new ATOM 0 HA GLU A 161 53.203 8.457 9.650 1.00 0.00 H new ATOM 0 HB2 GLU A 161 54.018 9.682 7.514 1.00 0.00 H new ATOM 0 HB3 GLU A 161 53.293 8.370 6.606 1.00 0.00 H new ATOM 0 HG2 GLU A 161 51.547 9.521 8.745 1.00 0.00 H new ATOM 0 HG3 GLU A 161 51.922 10.624 7.436 1.00 0.00 H new TER 1113 GLU A 161 HETATM 1114 CA CA A 2 54.051 -7.150 0.799 1.00 0.00 CA HETATM 1115 CA CA A 3 66.075 -5.935 2.357 1.00 0.00 CA HETATM 1116 S1 EMD A 1 61.841 0.661 2.276 1.00 0.00 S HETATM 1117 C2 EMD A 1 63.330 1.349 1.584 1.00 0.00 C HETATM 1118 O2 EMD A 1 64.393 0.734 1.669 1.00 0.00 O HETATM 1119 N3 EMD A 1 63.254 2.458 0.857 1.00 0.00 N HETATM 1120 N4 EMD A 1 62.084 3.124 0.562 1.00 0.00 N HETATM 1121 C5 EMD A 1 60.841 2.864 0.787 1.00 0.00 C HETATM 1122 C6 EMD A 1 60.489 1.499 1.416 1.00 0.00 C HETATM 1123 C7 EMD A 1 59.969 0.549 0.336 1.00 0.00 C HETATM 1124 C8 EMD A 1 59.772 4.007 0.652 1.00 0.00 C HETATM 1125 C9 EMD A 1 59.011 4.387 1.766 1.00 0.00 C HETATM 1126 C10 EMD A 1 58.054 5.411 1.653 1.00 0.00 C HETATM 1127 C11 EMD A 1 57.867 6.045 0.400 1.00 0.00 C HETATM 1128 C12 EMD A 1 58.631 5.661 -0.709 1.00 0.00 C HETATM 1129 C13 EMD A 1 59.584 4.643 -0.582 1.00 0.00 C HETATM 1130 N14 EMD A 1 56.819 7.145 0.288 1.00 0.00 N HETATM 1131 C15 EMD A 1 56.299 7.787 1.568 1.00 0.00 C HETATM 1132 C16 EMD A 1 56.926 7.325 2.867 1.00 0.00 C HETATM 1133 C17 EMD A 1 57.226 5.808 2.885 1.00 0.00 C HETATM 1134 C18 EMD A 1 56.310 7.593 -0.928 1.00 0.00 C HETATM 1135 O18 EMD A 1 56.687 7.116 -1.997 1.00 0.00 O HETATM 1136 C19 EMD A 1 55.256 8.701 -0.991 1.00 0.00 C HETATM 1137 C20 EMD A 1 55.659 10.030 -1.189 1.00 0.00 C HETATM 1138 C21 EMD A 1 54.747 11.078 -0.991 1.00 0.00 C HETATM 1139 O21 EMD A 1 55.201 12.386 -1.201 1.00 0.00 O HETATM 1140 C22 EMD A 1 53.449 10.804 -0.600 1.00 0.00 C HETATM 1141 O22 EMD A 1 52.504 11.813 -0.389 1.00 0.00 O HETATM 1142 C23 EMD A 1 53.039 9.478 -0.400 1.00 0.00 C HETATM 1143 C24 EMD A 1 53.941 8.427 -0.595 1.00 0.00 C HETATM 1144 C25 EMD A 1 56.033 12.799 -2.315 1.00 0.00 C HETATM 1145 C26 EMD A 1 51.181 11.589 0.157 1.00 0.00 C HETATM 0 H263 EMD A 1 50.632 10.905 -0.489 1.00 0.00 H new HETATM 0 H262 EMD A 1 51.267 11.156 1.154 1.00 0.00 H new HETATM 0 H261 EMD A 1 50.647 12.537 0.218 1.00 0.00 H new HETATM 0 H253 EMD A 1 56.971 12.245 -2.294 1.00 0.00 H new HETATM 0 H252 EMD A 1 55.514 12.597 -3.252 1.00 0.00 H new HETATM 0 H251 EMD A 1 56.240 13.866 -2.238 1.00 0.00 H new HETATM 0 H172 EMD A 1 56.292 5.246 2.900 1.00 0.00 H new HETATM 0 H171 EMD A 1 57.768 5.549 3.794 1.00 0.00 H new HETATM 0 H162 EMD A 1 57.852 7.875 3.033 1.00 0.00 H new HETATM 0 H161 EMD A 1 56.258 7.568 3.693 1.00 0.00 H new HETATM 0 H152 EMD A 1 56.438 8.865 1.488 1.00 0.00 H new HETATM 0 H151 EMD A 1 55.225 7.608 1.626 1.00 0.00 H new HETATM 0 H9 EMD A 1 59.162 3.887 2.723 1.00 0.00 H new HETATM 0 H73 EMD A 1 60.774 0.314 -0.360 1.00 0.00 H new HETATM 0 H72 EMD A 1 59.612 -0.370 0.801 1.00 0.00 H new HETATM 0 H71 EMD A 1 59.150 1.025 -0.204 1.00 0.00 H new HETATM 0 H6 EMD A 1 59.738 1.736 2.170 1.00 0.00 H new HETATM 0 H3 EMD A 1 64.124 2.844 0.491 1.00 0.00 H new HETATM 0 H24 EMD A 1 53.621 7.397 -0.439 1.00 0.00 H new HETATM 0 H23 EMD A 1 52.015 9.266 -0.092 1.00 0.00 H new HETATM 0 H20 EMD A 1 56.681 10.249 -1.497 1.00 0.00 H new HETATM 0 H13 EMD A 1 60.180 4.345 -1.444 1.00 0.00 H new HETATM 0 H12 EMD A 1 58.484 6.154 -1.670 1.00 0.00 H new