USER MOD reduce.3.24.130724 H: found=0, std=0, add=549, rem=0, adj=15 USER MOD reduce.3.24.130724 removed 550 hydrogens (0 hets) USER MOD ----------------------------------------------------------------- USER MOD scores for adjustable sidechains, with "set" totals for H,N and Q USER MOD "o" means original, "f" means flipped, "180deg" is methyl default USER MOD "!" flags a clash with an overlap of 0.40A or greater USER MOD flip categories: "K"=keep, "C"=clashes, "X"=uncertain, "F"=flip USER MOD Set 1.1: A 141 CYS SG : rot 147:sc= -0.202 USER MOD Set 1.2: A 145 GLN : amide:sc= 0.305 X(o=0.1,f=-0.34) USER MOD Set 2.1: A 114 TYR OH : rot 180:sc= 0 USER MOD Set 2.2: A 118 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 69 CYS SG : rot 180:sc= 0 USER MOD Single : A 70 TYR OH : rot 157:sc= 1.1 USER MOD Single : A 75 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 76 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 80 LYS NZ :NH3+ 174:sc= 0 (180deg=-0.0524) USER MOD Single : A 83 GLN : amide:sc= -0.0877 X(o=-0.088,f=-0.088) USER MOD Single : A 88 ASN : amide:sc= -0.154 K(o=-0.15,f=-0.88) USER MOD Single : A 89 LYS NZ :NH3+ 166:sc=-0.00101 (180deg=-0.0803) USER MOD Single : A 105 LYS NZ :NH3+ -175:sc= 0 (180deg=-0.0158) USER MOD Single : A 106 THR OG1 : rot 160:sc= -0.798 USER MOD Single : A 107 SER OG : rot 180:sc= 0 USER MOD Single : A 109 MET CE :methyl -165:sc= -0.0413 (180deg=-0.309) USER MOD Single : A 113 SER OG : rot 178:sc= 1.17 USER MOD Single : A 119 TYR OH : rot 180:sc= 0 USER MOD Single : A 122 GLN : amide:sc= -0.111 K(o=-0.11,f=-3.1!) USER MOD Single : A 130 HIS : no HD1:sc= -2.36! K(o=-2.4!,f=-1.7) USER MOD Single : A 131 THR OG1 : rot 160:sc= 0.012 USER MOD Single : A 134 GLN : amide:sc= -0.002 X(o=-0.002,f=-0.15) USER MOD Single : A 135 MET CE :methyl -162:sc= -0.834 (180deg=-1.72) USER MOD Single : A 139 SER OG : rot 180:sc= 0 USER MOD Single : A 143 GLN : amide:sc= 0 K(o=0,f=-0.76) USER MOD ----------------------------------------------------------------- ATOM 52 N TRP A 64 1.441 5.530 3.712 1.00 0.00 N ATOM 53 CA TRP A 64 2.366 5.655 2.612 1.00 0.00 C ATOM 54 C TRP A 64 1.870 6.804 1.737 1.00 0.00 C ATOM 55 O TRP A 64 0.784 7.339 1.980 1.00 0.00 O ATOM 56 CB TRP A 64 2.473 4.314 1.864 1.00 0.00 C ATOM 57 CG TRP A 64 1.208 3.519 1.667 1.00 0.00 C ATOM 58 CD1 TRP A 64 0.701 2.630 2.552 1.00 0.00 C ATOM 59 CD2 TRP A 64 0.279 3.512 0.537 1.00 0.00 C ATOM 60 NE1 TRP A 64 -0.457 2.073 2.057 1.00 0.00 N ATOM 61 CE2 TRP A 64 -0.768 2.583 0.819 1.00 0.00 C ATOM 62 CE3 TRP A 64 0.179 4.228 -0.675 1.00 0.00 C ATOM 63 CZ2 TRP A 64 -1.843 2.365 -0.052 1.00 0.00 C ATOM 64 CZ3 TRP A 64 -0.914 4.038 -1.545 1.00 0.00 C ATOM 65 CH2 TRP A 64 -1.924 3.111 -1.236 1.00 0.00 C ATOM 0 HA TRP A 64 3.377 5.887 2.946 1.00 0.00 H new ATOM 0 HB2 TRP A 64 2.902 4.511 0.881 1.00 0.00 H new ATOM 0 HB3 TRP A 64 3.184 3.686 2.401 1.00 0.00 H new ATOM 0 HD1 TRP A 64 1.141 2.392 3.509 1.00 0.00 H new ATOM 0 HE1 TRP A 64 -1.013 1.372 2.546 1.00 0.00 H new ATOM 0 HE3 TRP A 64 0.953 4.933 -0.940 1.00 0.00 H new ATOM 0 HZ2 TRP A 64 -2.600 1.632 0.185 1.00 0.00 H new ATOM 0 HZ3 TRP A 64 -0.976 4.611 -2.458 1.00 0.00 H new ATOM 0 HH2 TRP A 64 -2.759 2.974 -1.908 1.00 0.00 H new ATOM 76 N GLY A 65 2.675 7.209 0.759 1.00 0.00 N ATOM 77 CA GLY A 65 2.405 8.356 -0.087 1.00 0.00 C ATOM 78 C GLY A 65 3.726 9.006 -0.463 1.00 0.00 C ATOM 79 O GLY A 65 4.257 8.740 -1.538 1.00 0.00 O ATOM 0 H GLY A 65 3.550 6.736 0.532 1.00 0.00 H new ATOM 0 HA2 GLY A 65 1.868 8.046 -0.983 1.00 0.00 H new ATOM 0 HA3 GLY A 65 1.768 9.070 0.436 1.00 0.00 H new ATOM 83 N ARG A 66 4.316 9.801 0.440 1.00 0.00 N ATOM 84 CA ARG A 66 5.537 10.561 0.141 1.00 0.00 C ATOM 85 C ARG A 66 6.664 9.657 -0.369 1.00 0.00 C ATOM 86 O ARG A 66 7.205 9.916 -1.448 1.00 0.00 O ATOM 87 CB ARG A 66 5.980 11.395 1.356 1.00 0.00 C ATOM 88 CG ARG A 66 5.451 12.840 1.333 1.00 0.00 C ATOM 89 CD ARG A 66 5.035 13.331 2.728 1.00 0.00 C ATOM 90 NE ARG A 66 3.631 12.971 2.959 1.00 0.00 N ATOM 91 CZ ARG A 66 3.077 12.263 3.940 1.00 0.00 C ATOM 92 NH1 ARG A 66 3.753 11.943 5.038 1.00 0.00 N ATOM 93 NH2 ARG A 66 1.820 11.874 3.774 1.00 0.00 N ATOM 0 H ARG A 66 3.965 9.935 1.388 1.00 0.00 H new ATOM 0 HA ARG A 66 5.302 11.253 -0.667 1.00 0.00 H new ATOM 0 HB2 ARG A 66 5.637 10.905 2.268 1.00 0.00 H new ATOM 0 HB3 ARG A 66 7.069 11.416 1.395 1.00 0.00 H new ATOM 0 HG2 ARG A 66 6.221 13.500 0.933 1.00 0.00 H new ATOM 0 HG3 ARG A 66 4.597 12.901 0.659 1.00 0.00 H new ATOM 0 HD2 ARG A 66 5.670 12.881 3.491 1.00 0.00 H new ATOM 0 HD3 ARG A 66 5.164 14.411 2.802 1.00 0.00 H new ATOM 0 HE ARG A 66 2.977 13.318 2.257 1.00 0.00 H new ATOM 0 HH11 ARG A 66 4.723 12.241 5.145 1.00 0.00 H new ATOM 0 HH12 ARG A 66 3.302 11.399 5.774 1.00 0.00 H new ATOM 0 HH21 ARG A 66 1.319 12.120 2.920 1.00 0.00 H new ATOM 0 HH22 ARG A 66 1.355 11.329 4.500 1.00 0.00 H new ATOM 107 N LEU A 67 6.960 8.578 0.361 1.00 0.00 N ATOM 108 CA LEU A 67 7.929 7.543 0.006 1.00 0.00 C ATOM 109 C LEU A 67 7.728 6.994 -1.406 1.00 0.00 C ATOM 110 O LEU A 67 8.708 6.656 -2.065 1.00 0.00 O ATOM 111 CB LEU A 67 7.942 6.448 1.075 1.00 0.00 C ATOM 112 CG LEU A 67 6.711 5.536 1.203 1.00 0.00 C ATOM 113 CD1 LEU A 67 6.691 4.415 0.149 1.00 0.00 C ATOM 114 CD2 LEU A 67 6.709 4.887 2.586 1.00 0.00 C ATOM 0 H LEU A 67 6.508 8.396 1.257 1.00 0.00 H new ATOM 0 HA LEU A 67 8.917 8.004 -0.016 1.00 0.00 H new ATOM 0 HB2 LEU A 67 8.808 5.813 0.889 1.00 0.00 H new ATOM 0 HB3 LEU A 67 8.101 6.928 2.040 1.00 0.00 H new ATOM 0 HG LEU A 67 5.832 6.162 1.050 1.00 0.00 H new ATOM 0 HD11 LEU A 67 5.800 3.802 0.287 1.00 0.00 H new ATOM 0 HD12 LEU A 67 6.679 4.854 -0.849 1.00 0.00 H new ATOM 0 HD13 LEU A 67 7.580 3.794 0.262 1.00 0.00 H new ATOM 0 HD21 LEU A 67 5.838 4.239 2.683 1.00 0.00 H new ATOM 0 HD22 LEU A 67 7.616 4.296 2.712 1.00 0.00 H new ATOM 0 HD23 LEU A 67 6.671 5.662 3.352 1.00 0.00 H new ATOM 126 N ALA A 68 6.493 6.914 -1.908 1.00 0.00 N ATOM 127 CA ALA A 68 6.235 6.254 -3.178 1.00 0.00 C ATOM 128 C ALA A 68 6.802 7.058 -4.366 1.00 0.00 C ATOM 129 O ALA A 68 7.078 6.463 -5.404 1.00 0.00 O ATOM 130 CB ALA A 68 4.740 6.015 -3.355 1.00 0.00 C ATOM 0 H ALA A 68 5.664 7.297 -1.453 1.00 0.00 H new ATOM 0 HA ALA A 68 6.747 5.292 -3.163 1.00 0.00 H new ATOM 0 HB1 ALA A 68 4.561 5.520 -4.310 1.00 0.00 H new ATOM 0 HB2 ALA A 68 4.374 5.384 -2.545 1.00 0.00 H new ATOM 0 HB3 ALA A 68 4.214 6.970 -3.337 1.00 0.00 H new ATOM 136 N CYS A 69 7.030 8.374 -4.223 1.00 0.00 N ATOM 137 CA CYS A 69 7.668 9.195 -5.259 1.00 0.00 C ATOM 138 C CYS A 69 9.107 8.737 -5.476 1.00 0.00 C ATOM 139 O CYS A 69 9.524 8.461 -6.602 1.00 0.00 O ATOM 140 CB CYS A 69 7.637 10.670 -4.843 1.00 0.00 C ATOM 141 SG CYS A 69 8.346 11.740 -6.124 1.00 0.00 S ATOM 0 H CYS A 69 6.776 8.897 -3.385 1.00 0.00 H new ATOM 0 HA CYS A 69 7.121 9.080 -6.195 1.00 0.00 H new ATOM 0 HB2 CYS A 69 6.608 10.971 -4.645 1.00 0.00 H new ATOM 0 HB3 CYS A 69 8.191 10.798 -3.913 1.00 0.00 H new ATOM 0 HG CYS A 69 8.297 12.978 -5.731 1.00 0.00 H new ATOM 147 N TYR A 70 9.858 8.603 -4.379 1.00 0.00 N ATOM 148 CA TYR A 70 11.205 8.054 -4.403 1.00 0.00 C ATOM 149 C TYR A 70 11.191 6.671 -5.071 1.00 0.00 C ATOM 150 O TYR A 70 12.126 6.314 -5.781 1.00 0.00 O ATOM 151 CB TYR A 70 11.749 7.968 -2.970 1.00 0.00 C ATOM 152 CG TYR A 70 11.843 9.278 -2.204 1.00 0.00 C ATOM 153 CD1 TYR A 70 10.762 9.710 -1.412 1.00 0.00 C ATOM 154 CD2 TYR A 70 13.024 10.044 -2.234 1.00 0.00 C ATOM 155 CE1 TYR A 70 10.867 10.872 -0.628 1.00 0.00 C ATOM 156 CE2 TYR A 70 13.132 11.218 -1.467 1.00 0.00 C ATOM 157 CZ TYR A 70 12.059 11.629 -0.644 1.00 0.00 C ATOM 158 OH TYR A 70 12.144 12.750 0.117 1.00 0.00 O ATOM 0 H TYR A 70 9.542 8.875 -3.448 1.00 0.00 H new ATOM 0 HA TYR A 70 11.859 8.706 -4.983 1.00 0.00 H new ATOM 0 HB2 TYR A 70 11.115 7.286 -2.404 1.00 0.00 H new ATOM 0 HB3 TYR A 70 12.743 7.522 -3.008 1.00 0.00 H new ATOM 0 HD1 TYR A 70 9.843 9.143 -1.407 1.00 0.00 H new ATOM 0 HD2 TYR A 70 13.853 9.728 -2.850 1.00 0.00 H new ATOM 0 HE1 TYR A 70 10.036 11.186 -0.013 1.00 0.00 H new ATOM 0 HE2 TYR A 70 14.037 11.807 -1.507 1.00 0.00 H new ATOM 0 HH TYR A 70 13.086 12.951 0.300 1.00 0.00 H new ATOM 168 N LEU A 71 10.108 5.915 -4.887 1.00 0.00 N ATOM 169 CA LEU A 71 9.902 4.579 -5.428 1.00 0.00 C ATOM 170 C LEU A 71 9.380 4.567 -6.871 1.00 0.00 C ATOM 171 O LEU A 71 9.175 3.476 -7.406 1.00 0.00 O ATOM 172 CB LEU A 71 8.939 3.825 -4.496 1.00 0.00 C ATOM 173 CG LEU A 71 9.635 3.024 -3.397 1.00 0.00 C ATOM 174 CD1 LEU A 71 10.527 3.817 -2.463 1.00 0.00 C ATOM 175 CD2 LEU A 71 8.627 2.190 -2.595 1.00 0.00 C ATOM 0 H LEU A 71 9.316 6.236 -4.330 1.00 0.00 H new ATOM 0 HA LEU A 71 10.873 4.085 -5.472 1.00 0.00 H new ATOM 0 HB2 LEU A 71 8.261 4.543 -4.034 1.00 0.00 H new ATOM 0 HB3 LEU A 71 8.328 3.148 -5.093 1.00 0.00 H new ATOM 0 HG LEU A 71 10.315 2.369 -3.942 1.00 0.00 H new ATOM 0 HD11 LEU A 71 10.968 3.147 -1.725 1.00 0.00 H new ATOM 0 HD12 LEU A 71 11.320 4.296 -3.037 1.00 0.00 H new ATOM 0 HD13 LEU A 71 9.936 4.579 -1.955 1.00 0.00 H new ATOM 0 HD21 LEU A 71 9.152 1.631 -1.820 1.00 0.00 H new ATOM 0 HD22 LEU A 71 7.894 2.851 -2.132 1.00 0.00 H new ATOM 0 HD23 LEU A 71 8.118 1.495 -3.262 1.00 0.00 H new ATOM 187 N GLU A 72 9.162 5.713 -7.525 1.00 0.00 N ATOM 188 CA GLU A 72 8.745 5.766 -8.930 1.00 0.00 C ATOM 189 C GLU A 72 9.778 6.474 -9.813 1.00 0.00 C ATOM 190 O GLU A 72 9.637 6.445 -11.039 1.00 0.00 O ATOM 191 CB GLU A 72 7.286 6.265 -9.064 1.00 0.00 C ATOM 192 CG GLU A 72 7.052 7.780 -9.229 1.00 0.00 C ATOM 193 CD GLU A 72 7.189 8.272 -10.679 1.00 0.00 C ATOM 194 OE1 GLU A 72 6.520 7.726 -11.593 1.00 0.00 O ATOM 195 OE2 GLU A 72 7.975 9.204 -10.946 1.00 0.00 O ATOM 0 H GLU A 72 9.270 6.631 -7.094 1.00 0.00 H new ATOM 0 HA GLU A 72 8.724 4.752 -9.330 1.00 0.00 H new ATOM 0 HB2 GLU A 72 6.839 5.763 -9.922 1.00 0.00 H new ATOM 0 HB3 GLU A 72 6.738 5.937 -8.181 1.00 0.00 H new ATOM 0 HG2 GLU A 72 6.055 8.027 -8.864 1.00 0.00 H new ATOM 0 HG3 GLU A 72 7.763 8.319 -8.603 1.00 0.00 H new ATOM 202 N PHE A 73 10.841 7.048 -9.225 1.00 0.00 N ATOM 203 CA PHE A 73 12.025 7.485 -9.968 1.00 0.00 C ATOM 204 C PHE A 73 12.614 6.279 -10.709 1.00 0.00 C ATOM 205 O PHE A 73 12.760 6.334 -11.931 1.00 0.00 O ATOM 206 CB PHE A 73 13.052 8.211 -9.059 1.00 0.00 C ATOM 207 CG PHE A 73 14.440 7.581 -8.980 1.00 0.00 C ATOM 208 CD1 PHE A 73 15.363 7.714 -10.037 1.00 0.00 C ATOM 209 CD2 PHE A 73 14.755 6.732 -7.906 1.00 0.00 C ATOM 210 CE1 PHE A 73 16.552 6.956 -10.043 1.00 0.00 C ATOM 211 CE2 PHE A 73 15.928 5.961 -7.922 1.00 0.00 C ATOM 212 CZ PHE A 73 16.823 6.056 -8.995 1.00 0.00 C ATOM 0 H PHE A 73 10.899 7.220 -8.221 1.00 0.00 H new ATOM 0 HA PHE A 73 11.737 8.233 -10.707 1.00 0.00 H new ATOM 0 HB2 PHE A 73 13.160 9.236 -9.413 1.00 0.00 H new ATOM 0 HB3 PHE A 73 12.641 8.264 -8.051 1.00 0.00 H new ATOM 0 HD1 PHE A 73 15.159 8.400 -10.846 1.00 0.00 H new ATOM 0 HD2 PHE A 73 14.088 6.672 -7.059 1.00 0.00 H new ATOM 0 HE1 PHE A 73 17.257 7.066 -10.854 1.00 0.00 H new ATOM 0 HE2 PHE A 73 16.141 5.291 -7.102 1.00 0.00 H new ATOM 0 HZ PHE A 73 17.713 5.444 -9.018 1.00 0.00 H new ATOM 222 N LEU A 74 12.932 5.215 -9.963 1.00 0.00 N ATOM 223 CA LEU A 74 13.463 3.965 -10.486 1.00 0.00 C ATOM 224 C LEU A 74 12.341 3.135 -11.093 1.00 0.00 C ATOM 225 O LEU A 74 11.150 3.340 -10.832 1.00 0.00 O ATOM 226 CB LEU A 74 14.301 3.193 -9.440 1.00 0.00 C ATOM 227 CG LEU A 74 13.873 3.217 -7.958 1.00 0.00 C ATOM 228 CD1 LEU A 74 12.465 2.709 -7.698 1.00 0.00 C ATOM 229 CD2 LEU A 74 14.850 2.354 -7.154 1.00 0.00 C ATOM 0 H LEU A 74 12.821 5.206 -8.949 1.00 0.00 H new ATOM 0 HA LEU A 74 14.166 4.198 -11.285 1.00 0.00 H new ATOM 0 HB2 LEU A 74 14.335 2.150 -9.754 1.00 0.00 H new ATOM 0 HB3 LEU A 74 15.321 3.575 -9.492 1.00 0.00 H new ATOM 0 HG LEU A 74 13.886 4.264 -7.655 1.00 0.00 H new ATOM 0 HD11 LEU A 74 12.250 2.762 -6.631 1.00 0.00 H new ATOM 0 HD12 LEU A 74 11.750 3.325 -8.243 1.00 0.00 H new ATOM 0 HD13 LEU A 74 12.384 1.675 -8.033 1.00 0.00 H new ATOM 0 HD21 LEU A 74 14.561 2.360 -6.103 1.00 0.00 H new ATOM 0 HD22 LEU A 74 14.827 1.331 -7.530 1.00 0.00 H new ATOM 0 HD23 LEU A 74 15.858 2.755 -7.256 1.00 0.00 H new ATOM 241 N LYS A 75 12.741 2.176 -11.919 1.00 0.00 N ATOM 242 CA LYS A 75 11.872 1.291 -12.685 1.00 0.00 C ATOM 243 C LYS A 75 12.256 -0.152 -12.356 1.00 0.00 C ATOM 244 O LYS A 75 13.113 -0.370 -11.499 1.00 0.00 O ATOM 245 CB LYS A 75 11.957 1.680 -14.174 1.00 0.00 C ATOM 246 CG LYS A 75 11.305 3.053 -14.437 1.00 0.00 C ATOM 247 CD LYS A 75 11.684 3.696 -15.775 1.00 0.00 C ATOM 248 CE LYS A 75 11.211 2.902 -16.998 1.00 0.00 C ATOM 249 NZ LYS A 75 11.026 3.783 -18.171 1.00 0.00 N ATOM 0 H LYS A 75 13.730 1.985 -12.081 1.00 0.00 H new ATOM 0 HA LYS A 75 10.819 1.389 -12.422 1.00 0.00 H new ATOM 0 HB2 LYS A 75 13.001 1.706 -14.485 1.00 0.00 H new ATOM 0 HB3 LYS A 75 11.463 0.919 -14.779 1.00 0.00 H new ATOM 0 HG2 LYS A 75 10.222 2.939 -14.398 1.00 0.00 H new ATOM 0 HG3 LYS A 75 11.583 3.732 -13.631 1.00 0.00 H new ATOM 0 HD2 LYS A 75 11.260 4.699 -15.818 1.00 0.00 H new ATOM 0 HD3 LYS A 75 12.768 3.805 -15.821 1.00 0.00 H new ATOM 0 HE2 LYS A 75 11.939 2.126 -17.234 1.00 0.00 H new ATOM 0 HE3 LYS A 75 10.272 2.399 -16.767 1.00 0.00 H new ATOM 0 HZ1 LYS A 75 10.706 3.217 -18.983 1.00 0.00 H new ATOM 0 HZ2 LYS A 75 10.314 4.508 -17.952 1.00 0.00 H new ATOM 0 HZ3 LYS A 75 11.928 4.244 -18.405 1.00 0.00 H new ATOM 263 N LYS A 76 11.550 -1.149 -12.904 1.00 0.00 N ATOM 264 CA LYS A 76 11.632 -2.528 -12.404 1.00 0.00 C ATOM 265 C LYS A 76 13.010 -3.184 -12.528 1.00 0.00 C ATOM 266 O LYS A 76 13.214 -4.191 -11.856 1.00 0.00 O ATOM 267 CB LYS A 76 10.511 -3.421 -12.960 1.00 0.00 C ATOM 268 CG LYS A 76 9.158 -3.224 -12.248 1.00 0.00 C ATOM 269 CD LYS A 76 8.106 -2.616 -13.178 1.00 0.00 C ATOM 270 CE LYS A 76 7.595 -3.605 -14.230 1.00 0.00 C ATOM 271 NZ LYS A 76 6.697 -2.956 -15.205 1.00 0.00 N ATOM 0 H LYS A 76 10.916 -1.027 -13.693 1.00 0.00 H new ATOM 0 HA LYS A 76 11.474 -2.431 -11.330 1.00 0.00 H new ATOM 0 HB2 LYS A 76 10.387 -3.215 -14.023 1.00 0.00 H new ATOM 0 HB3 LYS A 76 10.811 -4.465 -12.871 1.00 0.00 H new ATOM 0 HG2 LYS A 76 8.801 -4.184 -11.875 1.00 0.00 H new ATOM 0 HG3 LYS A 76 9.295 -2.576 -11.382 1.00 0.00 H new ATOM 0 HD2 LYS A 76 7.265 -2.260 -12.583 1.00 0.00 H new ATOM 0 HD3 LYS A 76 8.531 -1.747 -13.680 1.00 0.00 H new ATOM 0 HE2 LYS A 76 8.442 -4.047 -14.755 1.00 0.00 H new ATOM 0 HE3 LYS A 76 7.066 -4.420 -13.736 1.00 0.00 H new ATOM 0 HZ1 LYS A 76 6.373 -3.659 -15.900 1.00 0.00 H new ATOM 0 HZ2 LYS A 76 5.876 -2.556 -14.708 1.00 0.00 H new ATOM 0 HZ3 LYS A 76 7.209 -2.195 -15.695 1.00 0.00 H new ATOM 285 N GLU A 77 13.965 -2.598 -13.247 1.00 0.00 N ATOM 286 CA GLU A 77 15.389 -2.864 -13.061 1.00 0.00 C ATOM 287 C GLU A 77 15.733 -2.876 -11.565 1.00 0.00 C ATOM 288 O GLU A 77 16.097 -3.922 -11.028 1.00 0.00 O ATOM 289 CB GLU A 77 16.216 -1.802 -13.802 1.00 0.00 C ATOM 290 CG GLU A 77 16.368 -2.089 -15.299 1.00 0.00 C ATOM 291 CD GLU A 77 16.692 -0.812 -16.080 1.00 0.00 C ATOM 292 OE1 GLU A 77 17.854 -0.342 -16.060 1.00 0.00 O ATOM 293 OE2 GLU A 77 15.779 -0.274 -16.751 1.00 0.00 O ATOM 0 H GLU A 77 13.770 -1.919 -13.982 1.00 0.00 H new ATOM 0 HA GLU A 77 15.630 -3.844 -13.474 1.00 0.00 H new ATOM 0 HB2 GLU A 77 15.744 -0.828 -13.672 1.00 0.00 H new ATOM 0 HB3 GLU A 77 17.205 -1.740 -13.349 1.00 0.00 H new ATOM 0 HG2 GLU A 77 17.160 -2.822 -15.452 1.00 0.00 H new ATOM 0 HG3 GLU A 77 15.447 -2.529 -15.683 1.00 0.00 H new ATOM 300 N GLU A 78 15.573 -1.746 -10.877 1.00 0.00 N ATOM 301 CA GLU A 78 16.112 -1.560 -9.538 1.00 0.00 C ATOM 302 C GLU A 78 14.978 -1.631 -8.516 1.00 0.00 C ATOM 303 O GLU A 78 15.185 -2.106 -7.408 1.00 0.00 O ATOM 304 CB GLU A 78 16.828 -0.198 -9.414 1.00 0.00 C ATOM 305 CG GLU A 78 17.528 0.380 -10.651 1.00 0.00 C ATOM 306 CD GLU A 78 18.784 -0.373 -11.092 1.00 0.00 C ATOM 307 OE1 GLU A 78 18.779 -1.617 -11.158 1.00 0.00 O ATOM 308 OE2 GLU A 78 19.795 0.300 -11.409 1.00 0.00 O ATOM 0 H GLU A 78 15.066 -0.937 -11.235 1.00 0.00 H new ATOM 0 HA GLU A 78 16.837 -2.351 -9.347 1.00 0.00 H new ATOM 0 HB2 GLU A 78 16.093 0.533 -9.078 1.00 0.00 H new ATOM 0 HB3 GLU A 78 17.573 -0.287 -8.623 1.00 0.00 H new ATOM 0 HG2 GLU A 78 16.819 0.391 -11.479 1.00 0.00 H new ATOM 0 HG3 GLU A 78 17.796 1.417 -10.447 1.00 0.00 H new ATOM 315 N LEU A 79 13.754 -1.212 -8.874 1.00 0.00 N ATOM 316 CA LEU A 79 12.572 -1.311 -8.017 1.00 0.00 C ATOM 317 C LEU A 79 12.380 -2.761 -7.541 1.00 0.00 C ATOM 318 O LEU A 79 12.051 -3.001 -6.379 1.00 0.00 O ATOM 319 CB LEU A 79 11.359 -0.767 -8.809 1.00 0.00 C ATOM 320 CG LEU A 79 10.018 -0.539 -8.080 1.00 0.00 C ATOM 321 CD1 LEU A 79 9.223 -1.839 -7.986 1.00 0.00 C ATOM 322 CD2 LEU A 79 10.133 0.154 -6.718 1.00 0.00 C ATOM 0 H LEU A 79 13.560 -0.789 -9.782 1.00 0.00 H new ATOM 0 HA LEU A 79 12.688 -0.711 -7.114 1.00 0.00 H new ATOM 0 HB2 LEU A 79 11.657 0.184 -9.251 1.00 0.00 H new ATOM 0 HB3 LEU A 79 11.171 -1.456 -9.632 1.00 0.00 H new ATOM 0 HG LEU A 79 9.469 0.170 -8.700 1.00 0.00 H new ATOM 0 HD11 LEU A 79 8.282 -1.653 -7.468 1.00 0.00 H new ATOM 0 HD12 LEU A 79 9.018 -2.213 -8.989 1.00 0.00 H new ATOM 0 HD13 LEU A 79 9.801 -2.580 -7.434 1.00 0.00 H new ATOM 0 HD21 LEU A 79 9.140 0.270 -6.284 1.00 0.00 H new ATOM 0 HD22 LEU A 79 10.751 -0.450 -6.054 1.00 0.00 H new ATOM 0 HD23 LEU A 79 10.590 1.135 -6.846 1.00 0.00 H new ATOM 334 N LYS A 80 12.621 -3.732 -8.428 1.00 0.00 N ATOM 335 CA LYS A 80 12.647 -5.163 -8.111 1.00 0.00 C ATOM 336 C LYS A 80 13.735 -5.486 -7.106 1.00 0.00 C ATOM 337 O LYS A 80 13.420 -6.066 -6.069 1.00 0.00 O ATOM 338 CB LYS A 80 12.769 -5.989 -9.376 1.00 0.00 C ATOM 339 CG LYS A 80 12.362 -7.436 -9.060 1.00 0.00 C ATOM 340 CD LYS A 80 13.369 -8.400 -9.645 1.00 0.00 C ATOM 341 CE LYS A 80 14.568 -8.666 -8.724 1.00 0.00 C ATOM 342 NZ LYS A 80 15.876 -8.554 -9.408 1.00 0.00 N ATOM 0 H LYS A 80 12.808 -3.539 -9.412 1.00 0.00 H new ATOM 0 HA LYS A 80 11.700 -5.428 -7.640 1.00 0.00 H new ATOM 0 HB2 LYS A 80 12.130 -5.579 -10.158 1.00 0.00 H new ATOM 0 HB3 LYS A 80 13.792 -5.957 -9.751 1.00 0.00 H new ATOM 0 HG2 LYS A 80 12.297 -7.576 -7.981 1.00 0.00 H new ATOM 0 HG3 LYS A 80 11.372 -7.641 -9.468 1.00 0.00 H new ATOM 0 HD2 LYS A 80 12.871 -9.345 -9.863 1.00 0.00 H new ATOM 0 HD3 LYS A 80 13.731 -8.004 -10.594 1.00 0.00 H new ATOM 0 HE2 LYS A 80 14.540 -7.962 -7.893 1.00 0.00 H new ATOM 0 HE3 LYS A 80 14.474 -9.665 -8.298 1.00 0.00 H new ATOM 0 HZ1 LYS A 80 16.642 -8.645 -8.710 1.00 0.00 H new ATOM 0 HZ2 LYS A 80 15.963 -9.310 -10.117 1.00 0.00 H new ATOM 0 HZ3 LYS A 80 15.944 -7.629 -9.878 1.00 0.00 H new ATOM 356 N GLU A 81 14.988 -5.156 -7.412 1.00 0.00 N ATOM 357 CA GLU A 81 16.102 -5.426 -6.513 1.00 0.00 C ATOM 358 C GLU A 81 15.809 -4.845 -5.138 1.00 0.00 C ATOM 359 O GLU A 81 15.956 -5.555 -4.157 1.00 0.00 O ATOM 360 CB GLU A 81 17.428 -4.910 -7.101 1.00 0.00 C ATOM 361 CG GLU A 81 17.899 -5.947 -8.117 1.00 0.00 C ATOM 362 CD GLU A 81 19.185 -5.606 -8.873 1.00 0.00 C ATOM 363 OE1 GLU A 81 20.288 -5.632 -8.286 1.00 0.00 O ATOM 364 OE2 GLU A 81 19.088 -5.430 -10.108 1.00 0.00 O ATOM 0 H GLU A 81 15.256 -4.698 -8.283 1.00 0.00 H new ATOM 0 HA GLU A 81 16.217 -6.504 -6.399 1.00 0.00 H new ATOM 0 HB2 GLU A 81 17.287 -3.940 -7.577 1.00 0.00 H new ATOM 0 HB3 GLU A 81 18.171 -4.774 -6.315 1.00 0.00 H new ATOM 0 HG2 GLU A 81 18.046 -6.895 -7.599 1.00 0.00 H new ATOM 0 HG3 GLU A 81 17.103 -6.102 -8.845 1.00 0.00 H new ATOM 371 N PHE A 82 15.273 -3.632 -5.043 1.00 0.00 N ATOM 372 CA PHE A 82 14.992 -2.998 -3.770 1.00 0.00 C ATOM 373 C PHE A 82 14.095 -3.861 -2.880 1.00 0.00 C ATOM 374 O PHE A 82 14.453 -4.100 -1.730 1.00 0.00 O ATOM 375 CB PHE A 82 14.396 -1.613 -4.014 1.00 0.00 C ATOM 376 CG PHE A 82 14.350 -0.734 -2.784 1.00 0.00 C ATOM 377 CD1 PHE A 82 13.276 -0.842 -1.882 1.00 0.00 C ATOM 378 CD2 PHE A 82 15.328 0.258 -2.590 1.00 0.00 C ATOM 379 CE1 PHE A 82 13.133 0.091 -0.845 1.00 0.00 C ATOM 380 CE2 PHE A 82 15.192 1.186 -1.544 1.00 0.00 C ATOM 381 CZ PHE A 82 14.080 1.117 -0.688 1.00 0.00 C ATOM 0 H PHE A 82 15.022 -3.064 -5.852 1.00 0.00 H new ATOM 0 HA PHE A 82 15.929 -2.885 -3.224 1.00 0.00 H new ATOM 0 HB2 PHE A 82 14.979 -1.109 -4.785 1.00 0.00 H new ATOM 0 HB3 PHE A 82 13.384 -1.728 -4.403 1.00 0.00 H new ATOM 0 HD1 PHE A 82 12.561 -1.644 -1.988 1.00 0.00 H new ATOM 0 HD2 PHE A 82 16.185 0.306 -3.246 1.00 0.00 H new ATOM 0 HE1 PHE A 82 12.295 0.021 -0.167 1.00 0.00 H new ATOM 0 HE2 PHE A 82 15.941 1.951 -1.398 1.00 0.00 H new ATOM 0 HZ PHE A 82 13.953 1.854 0.092 1.00 0.00 H new ATOM 391 N GLN A 83 12.949 -4.344 -3.382 1.00 0.00 N ATOM 392 CA GLN A 83 12.079 -5.235 -2.615 1.00 0.00 C ATOM 393 C GLN A 83 12.837 -6.497 -2.219 1.00 0.00 C ATOM 394 O GLN A 83 12.766 -6.936 -1.071 1.00 0.00 O ATOM 395 CB GLN A 83 10.812 -5.566 -3.430 1.00 0.00 C ATOM 396 CG GLN A 83 9.830 -6.534 -2.742 1.00 0.00 C ATOM 397 CD GLN A 83 10.038 -8.014 -3.084 1.00 0.00 C ATOM 398 OE1 GLN A 83 10.344 -8.836 -2.222 1.00 0.00 O ATOM 399 NE2 GLN A 83 9.837 -8.420 -4.327 1.00 0.00 N ATOM 0 H GLN A 83 12.606 -4.129 -4.318 1.00 0.00 H new ATOM 0 HA GLN A 83 11.766 -4.734 -1.699 1.00 0.00 H new ATOM 0 HB2 GLN A 83 10.287 -4.637 -3.651 1.00 0.00 H new ATOM 0 HB3 GLN A 83 11.114 -5.997 -4.385 1.00 0.00 H new ATOM 0 HG2 GLN A 83 9.916 -6.410 -1.663 1.00 0.00 H new ATOM 0 HG3 GLN A 83 8.813 -6.252 -3.015 1.00 0.00 H new ATOM 0 HE21 GLN A 83 9.583 -7.746 -5.049 1.00 0.00 H new ATOM 0 HE22 GLN A 83 9.936 -9.407 -4.563 1.00 0.00 H new ATOM 408 N LEU A 84 13.546 -7.081 -3.179 1.00 0.00 N ATOM 409 CA LEU A 84 14.181 -8.367 -3.087 1.00 0.00 C ATOM 410 C LEU A 84 15.274 -8.350 -2.016 1.00 0.00 C ATOM 411 O LEU A 84 15.258 -9.168 -1.090 1.00 0.00 O ATOM 412 CB LEU A 84 14.688 -8.667 -4.507 1.00 0.00 C ATOM 413 CG LEU A 84 14.962 -10.158 -4.661 1.00 0.00 C ATOM 414 CD1 LEU A 84 14.985 -10.465 -6.144 1.00 0.00 C ATOM 415 CD2 LEU A 84 16.291 -10.578 -4.050 1.00 0.00 C ATOM 0 H LEU A 84 13.694 -6.637 -4.085 1.00 0.00 H new ATOM 0 HA LEU A 84 13.508 -9.162 -2.765 1.00 0.00 H new ATOM 0 HB2 LEU A 84 13.948 -8.348 -5.241 1.00 0.00 H new ATOM 0 HB3 LEU A 84 15.598 -8.100 -4.704 1.00 0.00 H new ATOM 0 HG LEU A 84 14.181 -10.709 -4.136 1.00 0.00 H new ATOM 0 HD11 LEU A 84 15.179 -11.527 -6.293 1.00 0.00 H new ATOM 0 HD12 LEU A 84 14.022 -10.207 -6.584 1.00 0.00 H new ATOM 0 HD13 LEU A 84 15.771 -9.882 -6.624 1.00 0.00 H new ATOM 0 HD21 LEU A 84 16.433 -11.650 -4.189 1.00 0.00 H new ATOM 0 HD22 LEU A 84 17.103 -10.038 -4.538 1.00 0.00 H new ATOM 0 HD23 LEU A 84 16.291 -10.348 -2.985 1.00 0.00 H new ATOM 427 N LEU A 85 16.201 -7.402 -2.147 1.00 0.00 N ATOM 428 CA LEU A 85 17.320 -7.139 -1.263 1.00 0.00 C ATOM 429 C LEU A 85 16.804 -6.843 0.138 1.00 0.00 C ATOM 430 O LEU A 85 17.314 -7.422 1.095 1.00 0.00 O ATOM 431 CB LEU A 85 18.138 -5.941 -1.782 1.00 0.00 C ATOM 432 CG LEU A 85 18.843 -6.172 -3.132 1.00 0.00 C ATOM 433 CD1 LEU A 85 19.262 -4.829 -3.723 1.00 0.00 C ATOM 434 CD2 LEU A 85 20.073 -7.063 -3.009 1.00 0.00 C ATOM 0 H LEU A 85 16.182 -6.754 -2.934 1.00 0.00 H new ATOM 0 HA LEU A 85 17.964 -8.018 -1.234 1.00 0.00 H new ATOM 0 HB2 LEU A 85 17.475 -5.081 -1.878 1.00 0.00 H new ATOM 0 HB3 LEU A 85 18.889 -5.683 -1.036 1.00 0.00 H new ATOM 0 HG LEU A 85 18.131 -6.680 -3.782 1.00 0.00 H new ATOM 0 HD11 LEU A 85 19.761 -4.992 -4.678 1.00 0.00 H new ATOM 0 HD12 LEU A 85 18.380 -4.207 -3.876 1.00 0.00 H new ATOM 0 HD13 LEU A 85 19.945 -4.327 -3.038 1.00 0.00 H new ATOM 0 HD21 LEU A 85 20.529 -7.191 -3.991 1.00 0.00 H new ATOM 0 HD22 LEU A 85 20.792 -6.600 -2.333 1.00 0.00 H new ATOM 0 HD23 LEU A 85 19.779 -8.036 -2.616 1.00 0.00 H new ATOM 446 N LEU A 86 15.805 -5.965 0.277 1.00 0.00 N ATOM 447 CA LEU A 86 15.206 -5.570 1.548 1.00 0.00 C ATOM 448 C LEU A 86 14.626 -6.801 2.244 1.00 0.00 C ATOM 449 O LEU A 86 14.915 -7.040 3.416 1.00 0.00 O ATOM 450 CB LEU A 86 14.157 -4.484 1.251 1.00 0.00 C ATOM 451 CG LEU A 86 13.469 -3.788 2.435 1.00 0.00 C ATOM 452 CD1 LEU A 86 12.702 -2.580 1.880 1.00 0.00 C ATOM 453 CD2 LEU A 86 12.458 -4.682 3.156 1.00 0.00 C ATOM 0 H LEU A 86 15.379 -5.496 -0.522 1.00 0.00 H new ATOM 0 HA LEU A 86 15.941 -5.152 2.235 1.00 0.00 H new ATOM 0 HB2 LEU A 86 14.638 -3.714 0.648 1.00 0.00 H new ATOM 0 HB3 LEU A 86 13.380 -4.934 0.633 1.00 0.00 H new ATOM 0 HG LEU A 86 14.243 -3.516 3.153 1.00 0.00 H new ATOM 0 HD11 LEU A 86 12.200 -2.061 2.697 1.00 0.00 H new ATOM 0 HD12 LEU A 86 13.399 -1.899 1.392 1.00 0.00 H new ATOM 0 HD13 LEU A 86 11.961 -2.920 1.157 1.00 0.00 H new ATOM 0 HD21 LEU A 86 12.008 -4.130 3.981 1.00 0.00 H new ATOM 0 HD22 LEU A 86 11.679 -4.988 2.457 1.00 0.00 H new ATOM 0 HD23 LEU A 86 12.965 -5.566 3.544 1.00 0.00 H new ATOM 465 N ALA A 87 13.848 -7.610 1.518 1.00 0.00 N ATOM 466 CA ALA A 87 13.264 -8.847 2.020 1.00 0.00 C ATOM 467 C ALA A 87 14.311 -9.922 2.342 1.00 0.00 C ATOM 468 O ALA A 87 13.957 -10.924 2.964 1.00 0.00 O ATOM 469 CB ALA A 87 12.262 -9.393 0.993 1.00 0.00 C ATOM 0 H ALA A 87 13.605 -7.415 0.547 1.00 0.00 H new ATOM 0 HA ALA A 87 12.762 -8.605 2.957 1.00 0.00 H new ATOM 0 HB1 ALA A 87 11.825 -10.318 1.368 1.00 0.00 H new ATOM 0 HB2 ALA A 87 11.473 -8.659 0.829 1.00 0.00 H new ATOM 0 HB3 ALA A 87 12.776 -9.590 0.052 1.00 0.00 H new ATOM 475 N ASN A 88 15.565 -9.769 1.902 1.00 0.00 N ATOM 476 CA ASN A 88 16.683 -10.580 2.378 1.00 0.00 C ATOM 477 C ASN A 88 17.258 -9.976 3.652 1.00 0.00 C ATOM 478 O ASN A 88 17.543 -10.707 4.597 1.00 0.00 O ATOM 479 CB ASN A 88 17.805 -10.694 1.327 1.00 0.00 C ATOM 480 CG ASN A 88 17.883 -12.081 0.716 1.00 0.00 C ATOM 481 OD1 ASN A 88 17.662 -13.096 1.374 1.00 0.00 O ATOM 482 ND2 ASN A 88 18.211 -12.165 -0.555 1.00 0.00 N ATOM 0 H ASN A 88 15.830 -9.075 1.203 1.00 0.00 H new ATOM 0 HA ASN A 88 16.295 -11.580 2.573 1.00 0.00 H new ATOM 0 HB2 ASN A 88 17.637 -9.961 0.538 1.00 0.00 H new ATOM 0 HB3 ASN A 88 18.761 -10.449 1.791 1.00 0.00 H new ATOM 0 HD21 ASN A 88 18.284 -13.078 -1.004 1.00 0.00 H new ATOM 0 HD22 ASN A 88 18.392 -11.317 -1.092 1.00 0.00 H new ATOM 489 N LYS A 89 17.467 -8.656 3.669 1.00 0.00 N ATOM 490 CA LYS A 89 18.075 -7.905 4.742 1.00 0.00 C ATOM 491 C LYS A 89 17.361 -8.171 6.050 1.00 0.00 C ATOM 492 O LYS A 89 17.960 -8.658 7.007 1.00 0.00 O ATOM 493 CB LYS A 89 18.013 -6.428 4.334 1.00 0.00 C ATOM 494 CG LYS A 89 19.288 -5.698 4.678 1.00 0.00 C ATOM 495 CD LYS A 89 19.487 -5.457 6.185 1.00 0.00 C ATOM 496 CE LYS A 89 20.379 -6.513 6.850 1.00 0.00 C ATOM 497 NZ LYS A 89 21.793 -6.395 6.434 1.00 0.00 N ATOM 0 H LYS A 89 17.197 -8.061 2.885 1.00 0.00 H new ATOM 0 HA LYS A 89 19.111 -8.202 4.903 1.00 0.00 H new ATOM 0 HB2 LYS A 89 17.830 -6.354 3.262 1.00 0.00 H new ATOM 0 HB3 LYS A 89 17.173 -5.947 4.835 1.00 0.00 H new ATOM 0 HG2 LYS A 89 20.135 -6.269 4.297 1.00 0.00 H new ATOM 0 HG3 LYS A 89 19.294 -4.737 4.163 1.00 0.00 H new ATOM 0 HD2 LYS A 89 19.928 -4.471 6.334 1.00 0.00 H new ATOM 0 HD3 LYS A 89 18.515 -5.449 6.677 1.00 0.00 H new ATOM 0 HE2 LYS A 89 20.312 -6.412 7.933 1.00 0.00 H new ATOM 0 HE3 LYS A 89 20.010 -7.507 6.599 1.00 0.00 H new ATOM 0 HZ1 LYS A 89 22.391 -6.958 7.072 1.00 0.00 H new ATOM 0 HZ2 LYS A 89 21.899 -6.746 5.461 1.00 0.00 H new ATOM 0 HZ3 LYS A 89 22.085 -5.398 6.476 1.00 0.00 H new ATOM 511 N ALA A 90 16.077 -7.850 6.070 1.00 0.00 N ATOM 512 CA ALA A 90 15.192 -8.219 7.149 1.00 0.00 C ATOM 513 C ALA A 90 15.082 -9.744 7.179 1.00 0.00 C ATOM 514 O ALA A 90 14.496 -10.337 6.273 1.00 0.00 O ATOM 515 CB ALA A 90 13.833 -7.556 6.944 1.00 0.00 C ATOM 0 H ALA A 90 15.621 -7.320 5.327 1.00 0.00 H new ATOM 0 HA ALA A 90 15.581 -7.877 8.108 1.00 0.00 H new ATOM 0 HB1 ALA A 90 13.165 -7.835 7.759 1.00 0.00 H new ATOM 0 HB2 ALA A 90 13.955 -6.473 6.930 1.00 0.00 H new ATOM 0 HB3 ALA A 90 13.407 -7.886 5.997 1.00 0.00 H new ATOM 712 N LYS A 105 2.688 -7.234 -7.217 1.00 0.00 N ATOM 713 CA LYS A 105 2.735 -5.811 -6.917 1.00 0.00 C ATOM 714 C LYS A 105 3.981 -5.198 -7.551 1.00 0.00 C ATOM 715 O LYS A 105 5.025 -5.019 -6.914 1.00 0.00 O ATOM 716 CB LYS A 105 2.518 -5.549 -5.420 1.00 0.00 C ATOM 717 CG LYS A 105 3.630 -6.093 -4.518 1.00 0.00 C ATOM 718 CD LYS A 105 3.090 -6.822 -3.290 1.00 0.00 C ATOM 719 CE LYS A 105 4.133 -6.883 -2.175 1.00 0.00 C ATOM 720 NZ LYS A 105 5.467 -7.388 -2.570 1.00 0.00 N ATOM 0 HA LYS A 105 1.899 -5.283 -7.377 1.00 0.00 H new ATOM 0 HB2 LYS A 105 2.429 -4.474 -5.260 1.00 0.00 H new ATOM 0 HB3 LYS A 105 1.570 -5.995 -5.118 1.00 0.00 H new ATOM 0 HG2 LYS A 105 4.258 -6.774 -5.093 1.00 0.00 H new ATOM 0 HG3 LYS A 105 4.266 -5.269 -4.195 1.00 0.00 H new ATOM 0 HD2 LYS A 105 2.196 -6.314 -2.927 1.00 0.00 H new ATOM 0 HD3 LYS A 105 2.792 -7.833 -3.567 1.00 0.00 H new ATOM 0 HE2 LYS A 105 4.252 -5.882 -1.759 1.00 0.00 H new ATOM 0 HE3 LYS A 105 3.747 -7.516 -1.376 1.00 0.00 H new ATOM 0 HZ1 LYS A 105 6.071 -7.469 -1.727 1.00 0.00 H new ATOM 0 HZ2 LYS A 105 5.367 -8.323 -3.015 1.00 0.00 H new ATOM 0 HZ3 LYS A 105 5.902 -6.728 -3.246 1.00 0.00 H new ATOM 734 N THR A 106 3.889 -4.955 -8.854 1.00 0.00 N ATOM 735 CA THR A 106 4.971 -4.491 -9.713 1.00 0.00 C ATOM 736 C THR A 106 5.161 -2.975 -9.639 1.00 0.00 C ATOM 737 O THR A 106 5.995 -2.426 -10.362 1.00 0.00 O ATOM 738 CB THR A 106 4.721 -5.070 -11.125 1.00 0.00 C ATOM 739 OG1 THR A 106 5.884 -5.089 -11.920 1.00 0.00 O ATOM 740 CG2 THR A 106 3.606 -4.348 -11.893 1.00 0.00 C ATOM 0 H THR A 106 3.015 -5.083 -9.364 1.00 0.00 H new ATOM 0 HA THR A 106 5.938 -4.861 -9.372 1.00 0.00 H new ATOM 0 HB THR A 106 4.400 -6.095 -10.938 1.00 0.00 H new ATOM 0 HG1 THR A 106 5.770 -5.732 -12.651 1.00 0.00 H new ATOM 0 HG21 THR A 106 3.485 -4.806 -12.875 1.00 0.00 H new ATOM 0 HG22 THR A 106 2.671 -4.427 -11.338 1.00 0.00 H new ATOM 0 HG23 THR A 106 3.869 -3.297 -12.013 1.00 0.00 H new ATOM 748 N SER A 107 4.437 -2.279 -8.758 1.00 0.00 N ATOM 749 CA SER A 107 4.521 -0.837 -8.659 1.00 0.00 C ATOM 750 C SER A 107 4.887 -0.417 -7.236 1.00 0.00 C ATOM 751 O SER A 107 4.431 -1.024 -6.267 1.00 0.00 O ATOM 752 CB SER A 107 3.199 -0.233 -9.151 1.00 0.00 C ATOM 753 OG SER A 107 2.794 -0.799 -10.393 1.00 0.00 O ATOM 0 H SER A 107 3.783 -2.705 -8.101 1.00 0.00 H new ATOM 0 HA SER A 107 5.319 -0.453 -9.295 1.00 0.00 H new ATOM 0 HB2 SER A 107 2.422 -0.399 -8.404 1.00 0.00 H new ATOM 0 HB3 SER A 107 3.310 0.846 -9.261 1.00 0.00 H new ATOM 0 HG SER A 107 1.948 -0.394 -10.677 1.00 0.00 H new ATOM 759 N GLY A 108 5.727 0.608 -7.093 1.00 0.00 N ATOM 760 CA GLY A 108 6.373 0.956 -5.834 1.00 0.00 C ATOM 761 C GLY A 108 5.400 1.446 -4.763 1.00 0.00 C ATOM 762 O GLY A 108 5.541 1.091 -3.596 1.00 0.00 O ATOM 0 H GLY A 108 5.980 1.228 -7.863 1.00 0.00 H new ATOM 0 HA2 GLY A 108 6.907 0.084 -5.456 1.00 0.00 H new ATOM 0 HA3 GLY A 108 7.117 1.731 -6.019 1.00 0.00 H new ATOM 766 N MET A 109 4.369 2.194 -5.146 1.00 0.00 N ATOM 767 CA MET A 109 3.259 2.578 -4.272 1.00 0.00 C ATOM 768 C MET A 109 2.471 1.370 -3.747 1.00 0.00 C ATOM 769 O MET A 109 1.733 1.515 -2.779 1.00 0.00 O ATOM 770 CB MET A 109 2.317 3.561 -4.989 1.00 0.00 C ATOM 771 CG MET A 109 1.860 3.101 -6.378 1.00 0.00 C ATOM 772 SD MET A 109 3.073 3.225 -7.735 1.00 0.00 S ATOM 773 CE MET A 109 3.360 5.016 -7.797 1.00 0.00 C ATOM 0 H MET A 109 4.278 2.560 -6.094 1.00 0.00 H new ATOM 0 HA MET A 109 3.700 3.071 -3.406 1.00 0.00 H new ATOM 0 HB2 MET A 109 1.438 3.723 -4.366 1.00 0.00 H new ATOM 0 HB3 MET A 109 2.821 4.523 -5.086 1.00 0.00 H new ATOM 0 HG2 MET A 109 1.542 2.061 -6.302 1.00 0.00 H new ATOM 0 HG3 MET A 109 0.981 3.684 -6.655 1.00 0.00 H new ATOM 0 HE1 MET A 109 3.860 5.272 -8.731 1.00 0.00 H new ATOM 0 HE2 MET A 109 2.406 5.540 -7.741 1.00 0.00 H new ATOM 0 HE3 MET A 109 3.987 5.313 -6.956 1.00 0.00 H new ATOM 783 N GLU A 110 2.648 0.187 -4.339 1.00 0.00 N ATOM 784 CA GLU A 110 1.981 -1.051 -3.945 1.00 0.00 C ATOM 785 C GLU A 110 2.946 -2.029 -3.262 1.00 0.00 C ATOM 786 O GLU A 110 2.555 -2.986 -2.600 1.00 0.00 O ATOM 787 CB GLU A 110 1.318 -1.647 -5.197 1.00 0.00 C ATOM 788 CG GLU A 110 -0.007 -2.334 -4.868 1.00 0.00 C ATOM 789 CD GLU A 110 -0.978 -1.352 -4.200 1.00 0.00 C ATOM 790 OE1 GLU A 110 -1.370 -0.351 -4.848 1.00 0.00 O ATOM 791 OE2 GLU A 110 -1.295 -1.524 -3.005 1.00 0.00 O ATOM 0 H GLU A 110 3.280 0.063 -5.130 1.00 0.00 H new ATOM 0 HA GLU A 110 1.216 -0.843 -3.197 1.00 0.00 H new ATOM 0 HB2 GLU A 110 1.146 -0.857 -5.928 1.00 0.00 H new ATOM 0 HB3 GLU A 110 1.995 -2.366 -5.659 1.00 0.00 H new ATOM 0 HG2 GLU A 110 -0.453 -2.730 -5.780 1.00 0.00 H new ATOM 0 HG3 GLU A 110 0.172 -3.182 -4.207 1.00 0.00 H new ATOM 798 N VAL A 111 4.243 -1.750 -3.350 1.00 0.00 N ATOM 799 CA VAL A 111 5.224 -2.219 -2.387 1.00 0.00 C ATOM 800 C VAL A 111 5.075 -1.392 -1.097 1.00 0.00 C ATOM 801 O VAL A 111 5.427 -1.875 -0.022 1.00 0.00 O ATOM 802 CB VAL A 111 6.609 -2.133 -3.054 1.00 0.00 C ATOM 803 CG1 VAL A 111 7.757 -2.380 -2.069 1.00 0.00 C ATOM 804 CG2 VAL A 111 6.670 -3.159 -4.204 1.00 0.00 C ATOM 0 H VAL A 111 4.643 -1.186 -4.100 1.00 0.00 H new ATOM 0 HA VAL A 111 5.079 -3.259 -2.094 1.00 0.00 H new ATOM 0 HB VAL A 111 6.737 -1.119 -3.434 1.00 0.00 H new ATOM 0 HG11 VAL A 111 8.709 -2.307 -2.594 1.00 0.00 H new ATOM 0 HG12 VAL A 111 7.722 -1.634 -1.275 1.00 0.00 H new ATOM 0 HG13 VAL A 111 7.657 -3.375 -1.636 1.00 0.00 H new ATOM 0 HG21 VAL A 111 7.647 -3.108 -4.685 1.00 0.00 H new ATOM 0 HG22 VAL A 111 6.513 -4.162 -3.806 1.00 0.00 H new ATOM 0 HG23 VAL A 111 5.893 -2.933 -4.935 1.00 0.00 H new ATOM 814 N ALA A 112 4.533 -0.170 -1.163 1.00 0.00 N ATOM 815 CA ALA A 112 4.421 0.700 -0.008 1.00 0.00 C ATOM 816 C ALA A 112 3.400 0.178 1.005 1.00 0.00 C ATOM 817 O ALA A 112 3.759 -0.011 2.173 1.00 0.00 O ATOM 818 CB ALA A 112 4.125 2.138 -0.448 1.00 0.00 C ATOM 0 H ALA A 112 4.163 0.235 -2.023 1.00 0.00 H new ATOM 0 HA ALA A 112 5.381 0.703 0.508 1.00 0.00 H new ATOM 0 HB1 ALA A 112 4.044 2.778 0.431 1.00 0.00 H new ATOM 0 HB2 ALA A 112 4.933 2.497 -1.085 1.00 0.00 H new ATOM 0 HB3 ALA A 112 3.187 2.163 -1.003 1.00 0.00 H new ATOM 824 N SER A 113 2.174 -0.102 0.563 1.00 0.00 N ATOM 825 CA SER A 113 1.129 -0.781 1.327 1.00 0.00 C ATOM 826 C SER A 113 1.659 -2.067 1.960 1.00 0.00 C ATOM 827 O SER A 113 1.401 -2.349 3.134 1.00 0.00 O ATOM 828 CB SER A 113 -0.061 -1.062 0.383 1.00 0.00 C ATOM 829 OG SER A 113 0.394 -1.268 -0.946 1.00 0.00 O ATOM 0 H SER A 113 1.870 0.149 -0.378 1.00 0.00 H new ATOM 0 HA SER A 113 0.797 -0.144 2.147 1.00 0.00 H new ATOM 0 HB2 SER A 113 -0.606 -1.941 0.727 1.00 0.00 H new ATOM 0 HB3 SER A 113 -0.758 -0.225 0.409 1.00 0.00 H new ATOM 0 HG SER A 113 -0.369 -1.480 -1.524 1.00 0.00 H new ATOM 835 N TYR A 114 2.457 -2.809 1.196 1.00 0.00 N ATOM 836 CA TYR A 114 3.000 -4.094 1.598 1.00 0.00 C ATOM 837 C TYR A 114 4.016 -3.924 2.723 1.00 0.00 C ATOM 838 O TYR A 114 3.988 -4.667 3.699 1.00 0.00 O ATOM 839 CB TYR A 114 3.607 -4.766 0.366 1.00 0.00 C ATOM 840 CG TYR A 114 4.747 -5.727 0.637 1.00 0.00 C ATOM 841 CD1 TYR A 114 4.476 -7.080 0.900 1.00 0.00 C ATOM 842 CD2 TYR A 114 6.079 -5.272 0.580 1.00 0.00 C ATOM 843 CE1 TYR A 114 5.533 -7.990 1.054 1.00 0.00 C ATOM 844 CE2 TYR A 114 7.142 -6.174 0.753 1.00 0.00 C ATOM 845 CZ TYR A 114 6.873 -7.542 0.997 1.00 0.00 C ATOM 846 OH TYR A 114 7.888 -8.427 1.203 1.00 0.00 O ATOM 0 H TYR A 114 2.747 -2.523 0.261 1.00 0.00 H new ATOM 0 HA TYR A 114 2.210 -4.733 1.994 1.00 0.00 H new ATOM 0 HB2 TYR A 114 2.817 -5.306 -0.157 1.00 0.00 H new ATOM 0 HB3 TYR A 114 3.964 -3.989 -0.310 1.00 0.00 H new ATOM 0 HD1 TYR A 114 3.454 -7.420 0.984 1.00 0.00 H new ATOM 0 HD2 TYR A 114 6.284 -4.226 0.403 1.00 0.00 H new ATOM 0 HE1 TYR A 114 5.322 -9.037 1.217 1.00 0.00 H new ATOM 0 HE2 TYR A 114 8.162 -5.824 0.700 1.00 0.00 H new ATOM 0 HH TYR A 114 8.747 -7.962 1.129 1.00 0.00 H new ATOM 856 N LEU A 115 4.922 -2.954 2.610 1.00 0.00 N ATOM 857 CA LEU A 115 5.942 -2.720 3.623 1.00 0.00 C ATOM 858 C LEU A 115 5.303 -2.293 4.945 1.00 0.00 C ATOM 859 O LEU A 115 5.758 -2.726 6.007 1.00 0.00 O ATOM 860 CB LEU A 115 6.925 -1.651 3.134 1.00 0.00 C ATOM 861 CG LEU A 115 8.035 -2.124 2.192 1.00 0.00 C ATOM 862 CD1 LEU A 115 8.841 -0.903 1.725 1.00 0.00 C ATOM 863 CD2 LEU A 115 8.965 -3.136 2.873 1.00 0.00 C ATOM 0 H LEU A 115 4.967 -2.313 1.818 1.00 0.00 H new ATOM 0 HA LEU A 115 6.485 -3.650 3.794 1.00 0.00 H new ATOM 0 HB2 LEU A 115 6.357 -0.871 2.627 1.00 0.00 H new ATOM 0 HB3 LEU A 115 7.390 -1.191 4.006 1.00 0.00 H new ATOM 0 HG LEU A 115 7.577 -2.625 1.340 1.00 0.00 H new ATOM 0 HD11 LEU A 115 9.636 -1.227 1.053 1.00 0.00 H new ATOM 0 HD12 LEU A 115 8.182 -0.211 1.201 1.00 0.00 H new ATOM 0 HD13 LEU A 115 9.278 -0.403 2.589 1.00 0.00 H new ATOM 0 HD21 LEU A 115 9.739 -3.448 2.172 1.00 0.00 H new ATOM 0 HD22 LEU A 115 9.429 -2.674 3.745 1.00 0.00 H new ATOM 0 HD23 LEU A 115 8.388 -4.006 3.187 1.00 0.00 H new ATOM 875 N VAL A 116 4.256 -1.465 4.890 1.00 0.00 N ATOM 876 CA VAL A 116 3.486 -1.113 6.083 1.00 0.00 C ATOM 877 C VAL A 116 2.880 -2.379 6.691 1.00 0.00 C ATOM 878 O VAL A 116 2.929 -2.538 7.907 1.00 0.00 O ATOM 879 CB VAL A 116 2.425 -0.034 5.773 1.00 0.00 C ATOM 880 CG1 VAL A 116 1.493 0.265 6.959 1.00 0.00 C ATOM 881 CG2 VAL A 116 3.128 1.272 5.396 1.00 0.00 C ATOM 0 H VAL A 116 3.923 -1.027 4.031 1.00 0.00 H new ATOM 0 HA VAL A 116 4.152 -0.670 6.823 1.00 0.00 H new ATOM 0 HB VAL A 116 1.818 -0.427 4.957 1.00 0.00 H new ATOM 0 HG11 VAL A 116 0.773 1.031 6.672 1.00 0.00 H new ATOM 0 HG12 VAL A 116 0.962 -0.644 7.243 1.00 0.00 H new ATOM 0 HG13 VAL A 116 2.082 0.620 7.805 1.00 0.00 H new ATOM 0 HG21 VAL A 116 2.382 2.036 5.176 1.00 0.00 H new ATOM 0 HG22 VAL A 116 3.752 1.602 6.226 1.00 0.00 H new ATOM 0 HG23 VAL A 116 3.751 1.109 4.516 1.00 0.00 H new ATOM 891 N ALA A 117 2.333 -3.287 5.883 1.00 0.00 N ATOM 892 CA ALA A 117 1.748 -4.519 6.399 1.00 0.00 C ATOM 893 C ALA A 117 2.828 -5.382 7.067 1.00 0.00 C ATOM 894 O ALA A 117 2.644 -5.863 8.186 1.00 0.00 O ATOM 895 CB ALA A 117 1.032 -5.274 5.271 1.00 0.00 C ATOM 0 H ALA A 117 2.284 -3.190 4.869 1.00 0.00 H new ATOM 0 HA ALA A 117 1.006 -4.276 7.159 1.00 0.00 H new ATOM 0 HB1 ALA A 117 0.598 -6.193 5.666 1.00 0.00 H new ATOM 0 HB2 ALA A 117 0.241 -4.647 4.859 1.00 0.00 H new ATOM 0 HB3 ALA A 117 1.747 -5.519 4.486 1.00 0.00 H new ATOM 901 N GLN A 118 3.948 -5.596 6.379 1.00 0.00 N ATOM 902 CA GLN A 118 4.971 -6.554 6.775 1.00 0.00 C ATOM 903 C GLN A 118 5.781 -6.088 7.980 1.00 0.00 C ATOM 904 O GLN A 118 6.250 -6.942 8.732 1.00 0.00 O ATOM 905 CB GLN A 118 5.923 -6.771 5.599 1.00 0.00 C ATOM 906 CG GLN A 118 5.269 -7.532 4.446 1.00 0.00 C ATOM 907 CD GLN A 118 5.394 -9.048 4.589 1.00 0.00 C ATOM 908 OE1 GLN A 118 6.430 -9.624 4.266 1.00 0.00 O ATOM 909 NE2 GLN A 118 4.361 -9.741 5.035 1.00 0.00 N ATOM 0 H GLN A 118 4.171 -5.099 5.517 1.00 0.00 H new ATOM 0 HA GLN A 118 4.464 -7.477 7.057 1.00 0.00 H new ATOM 0 HB2 GLN A 118 6.275 -5.805 5.238 1.00 0.00 H new ATOM 0 HB3 GLN A 118 6.799 -7.321 5.942 1.00 0.00 H new ATOM 0 HG2 GLN A 118 4.214 -7.263 4.391 1.00 0.00 H new ATOM 0 HG3 GLN A 118 5.726 -7.222 3.506 1.00 0.00 H new ATOM 0 HE21 GLN A 118 3.502 -9.261 5.303 1.00 0.00 H new ATOM 0 HE22 GLN A 118 4.423 -10.756 5.112 1.00 0.00 H new ATOM 918 N TYR A 119 5.996 -4.780 8.137 1.00 0.00 N ATOM 919 CA TYR A 119 6.851 -4.240 9.196 1.00 0.00 C ATOM 920 C TYR A 119 6.158 -3.142 9.990 1.00 0.00 C ATOM 921 O TYR A 119 6.228 -3.136 11.222 1.00 0.00 O ATOM 922 CB TYR A 119 8.169 -3.705 8.630 1.00 0.00 C ATOM 923 CG TYR A 119 8.925 -4.670 7.749 1.00 0.00 C ATOM 924 CD1 TYR A 119 8.658 -4.709 6.370 1.00 0.00 C ATOM 925 CD2 TYR A 119 9.854 -5.558 8.318 1.00 0.00 C ATOM 926 CE1 TYR A 119 9.267 -5.681 5.564 1.00 0.00 C ATOM 927 CE2 TYR A 119 10.445 -6.556 7.516 1.00 0.00 C ATOM 928 CZ TYR A 119 10.149 -6.627 6.131 1.00 0.00 C ATOM 929 OH TYR A 119 10.676 -7.587 5.314 1.00 0.00 O ATOM 0 H TYR A 119 5.583 -4.067 7.535 1.00 0.00 H new ATOM 0 HA TYR A 119 7.062 -5.070 9.871 1.00 0.00 H new ATOM 0 HB2 TYR A 119 7.961 -2.801 8.058 1.00 0.00 H new ATOM 0 HB3 TYR A 119 8.812 -3.415 9.461 1.00 0.00 H new ATOM 0 HD1 TYR A 119 7.983 -3.989 5.931 1.00 0.00 H new ATOM 0 HD2 TYR A 119 10.114 -5.477 9.363 1.00 0.00 H new ATOM 0 HE1 TYR A 119 9.061 -5.706 4.504 1.00 0.00 H new ATOM 0 HE2 TYR A 119 11.125 -7.269 7.958 1.00 0.00 H new ATOM 0 HH TYR A 119 11.267 -8.171 5.834 1.00 0.00 H new ATOM 939 N GLY A 120 5.498 -2.220 9.303 1.00 0.00 N ATOM 940 CA GLY A 120 4.905 -1.024 9.877 1.00 0.00 C ATOM 941 C GLY A 120 5.641 0.202 9.362 1.00 0.00 C ATOM 942 O GLY A 120 6.762 0.095 8.867 1.00 0.00 O ATOM 0 H GLY A 120 5.357 -2.288 8.295 1.00 0.00 H new ATOM 0 HA2 GLY A 120 3.849 -0.966 9.613 1.00 0.00 H new ATOM 0 HA3 GLY A 120 4.959 -1.064 10.965 1.00 0.00 H new ATOM 946 N GLU A 121 5.002 1.365 9.446 1.00 0.00 N ATOM 947 CA GLU A 121 5.431 2.560 8.719 1.00 0.00 C ATOM 948 C GLU A 121 6.753 3.179 9.191 1.00 0.00 C ATOM 949 O GLU A 121 7.375 3.961 8.466 1.00 0.00 O ATOM 950 CB GLU A 121 4.279 3.547 8.594 1.00 0.00 C ATOM 951 CG GLU A 121 3.531 3.957 9.864 1.00 0.00 C ATOM 952 CD GLU A 121 4.086 5.241 10.454 1.00 0.00 C ATOM 953 OE1 GLU A 121 5.098 5.164 11.182 1.00 0.00 O ATOM 954 OE2 GLU A 121 3.536 6.320 10.130 1.00 0.00 O ATOM 0 H GLU A 121 4.171 1.508 10.020 1.00 0.00 H new ATOM 0 HA GLU A 121 5.693 2.233 7.713 1.00 0.00 H new ATOM 0 HB2 GLU A 121 4.668 4.454 8.130 1.00 0.00 H new ATOM 0 HB3 GLU A 121 3.551 3.122 7.903 1.00 0.00 H new ATOM 0 HG2 GLU A 121 2.473 4.089 9.637 1.00 0.00 H new ATOM 0 HG3 GLU A 121 3.601 3.158 10.602 1.00 0.00 H new ATOM 961 N GLN A 122 7.227 2.760 10.362 1.00 0.00 N ATOM 962 CA GLN A 122 8.604 2.877 10.801 1.00 0.00 C ATOM 963 C GLN A 122 9.538 2.162 9.826 1.00 0.00 C ATOM 964 O GLN A 122 10.112 2.819 8.962 1.00 0.00 O ATOM 965 CB GLN A 122 8.708 2.413 12.258 1.00 0.00 C ATOM 966 CG GLN A 122 9.701 3.242 13.077 1.00 0.00 C ATOM 967 CD GLN A 122 11.027 2.535 13.340 1.00 0.00 C ATOM 968 OE1 GLN A 122 11.054 1.391 13.782 1.00 0.00 O ATOM 969 NE2 GLN A 122 12.148 3.184 13.077 1.00 0.00 N ATOM 0 H GLN A 122 6.631 2.311 11.057 1.00 0.00 H new ATOM 0 HA GLN A 122 8.934 3.916 10.789 1.00 0.00 H new ATOM 0 HB2 GLN A 122 7.724 2.470 12.723 1.00 0.00 H new ATOM 0 HB3 GLN A 122 9.011 1.366 12.280 1.00 0.00 H new ATOM 0 HG2 GLN A 122 9.897 4.178 12.553 1.00 0.00 H new ATOM 0 HG3 GLN A 122 9.243 3.501 14.032 1.00 0.00 H new ATOM 0 HE21 GLN A 122 12.113 4.135 12.710 1.00 0.00 H new ATOM 0 HE22 GLN A 122 13.048 2.734 13.241 1.00 0.00 H new ATOM 978 N ARG A 123 9.699 0.836 9.913 1.00 0.00 N ATOM 979 CA ARG A 123 10.653 0.090 9.076 1.00 0.00 C ATOM 980 C ARG A 123 10.314 0.192 7.599 1.00 0.00 C ATOM 981 O ARG A 123 11.220 0.119 6.768 1.00 0.00 O ATOM 982 CB ARG A 123 10.682 -1.390 9.472 1.00 0.00 C ATOM 983 CG ARG A 123 11.704 -1.726 10.557 1.00 0.00 C ATOM 984 CD ARG A 123 11.201 -1.227 11.906 1.00 0.00 C ATOM 985 NE ARG A 123 12.155 -1.520 12.986 1.00 0.00 N ATOM 986 CZ ARG A 123 13.212 -0.782 13.352 1.00 0.00 C ATOM 987 NH1 ARG A 123 13.676 0.224 12.613 1.00 0.00 N ATOM 988 NH2 ARG A 123 13.829 -1.063 14.488 1.00 0.00 N ATOM 0 H ARG A 123 9.175 0.250 10.562 1.00 0.00 H new ATOM 0 HA ARG A 123 11.632 0.540 9.243 1.00 0.00 H new ATOM 0 HB2 ARG A 123 9.691 -1.682 9.819 1.00 0.00 H new ATOM 0 HB3 ARG A 123 10.898 -1.988 8.587 1.00 0.00 H new ATOM 0 HG2 ARG A 123 11.868 -2.803 10.595 1.00 0.00 H new ATOM 0 HG3 ARG A 123 12.663 -1.265 10.322 1.00 0.00 H new ATOM 0 HD2 ARG A 123 11.029 -0.152 11.855 1.00 0.00 H new ATOM 0 HD3 ARG A 123 10.242 -1.693 12.132 1.00 0.00 H new ATOM 0 HE ARG A 123 11.995 -2.378 13.514 1.00 0.00 H new ATOM 0 HH11 ARG A 123 13.223 0.459 11.730 1.00 0.00 H new ATOM 0 HH12 ARG A 123 14.484 0.760 12.930 1.00 0.00 H new ATOM 0 HH21 ARG A 123 13.499 -1.832 15.071 1.00 0.00 H new ATOM 0 HH22 ARG A 123 14.635 -0.511 14.781 1.00 0.00 H new ATOM 1002 N ALA A 124 9.046 0.402 7.263 1.00 0.00 N ATOM 1003 CA ALA A 124 8.636 0.572 5.880 1.00 0.00 C ATOM 1004 C ALA A 124 9.322 1.770 5.215 1.00 0.00 C ATOM 1005 O ALA A 124 9.302 1.843 3.987 1.00 0.00 O ATOM 1006 CB ALA A 124 7.119 0.709 5.796 1.00 0.00 C ATOM 0 H ALA A 124 8.282 0.458 7.937 1.00 0.00 H new ATOM 0 HA ALA A 124 8.948 -0.318 5.334 1.00 0.00 H new ATOM 0 HB1 ALA A 124 6.822 0.836 4.755 1.00 0.00 H new ATOM 0 HB2 ALA A 124 6.650 -0.188 6.200 1.00 0.00 H new ATOM 0 HB3 ALA A 124 6.800 1.577 6.373 1.00 0.00 H new ATOM 1012 N TRP A 125 9.967 2.650 5.991 1.00 0.00 N ATOM 1013 CA TRP A 125 10.977 3.564 5.494 1.00 0.00 C ATOM 1014 C TRP A 125 12.316 3.304 6.186 1.00 0.00 C ATOM 1015 O TRP A 125 13.289 3.033 5.507 1.00 0.00 O ATOM 1016 CB TRP A 125 10.455 5.006 5.576 1.00 0.00 C ATOM 1017 CG TRP A 125 10.895 5.936 4.482 1.00 0.00 C ATOM 1018 CD1 TRP A 125 11.321 7.204 4.661 1.00 0.00 C ATOM 1019 CD2 TRP A 125 11.002 5.687 3.046 1.00 0.00 C ATOM 1020 NE1 TRP A 125 11.682 7.752 3.442 1.00 0.00 N ATOM 1021 CE2 TRP A 125 11.553 6.842 2.411 1.00 0.00 C ATOM 1022 CE3 TRP A 125 10.692 4.597 2.210 1.00 0.00 C ATOM 1023 CZ2 TRP A 125 11.830 6.886 1.029 1.00 0.00 C ATOM 1024 CZ3 TRP A 125 10.950 4.640 0.833 1.00 0.00 C ATOM 1025 CH2 TRP A 125 11.532 5.763 0.231 1.00 0.00 C ATOM 0 H TRP A 125 9.793 2.740 6.992 1.00 0.00 H new ATOM 0 HA TRP A 125 11.178 3.391 4.437 1.00 0.00 H new ATOM 0 HB2 TRP A 125 9.365 4.976 5.582 1.00 0.00 H new ATOM 0 HB3 TRP A 125 10.767 5.429 6.531 1.00 0.00 H new ATOM 0 HD1 TRP A 125 11.373 7.714 5.612 1.00 0.00 H new ATOM 0 HE1 TRP A 125 12.004 8.712 3.320 1.00 0.00 H new ATOM 0 HE3 TRP A 125 10.247 3.711 2.638 1.00 0.00 H new ATOM 0 HZ2 TRP A 125 12.265 7.770 0.587 1.00 0.00 H new ATOM 0 HZ3 TRP A 125 10.694 3.787 0.222 1.00 0.00 H new ATOM 0 HH2 TRP A 125 11.749 5.768 -0.827 1.00 0.00 H new ATOM 1036 N ASP A 126 12.384 3.297 7.513 1.00 0.00 N ATOM 1037 CA ASP A 126 13.601 3.163 8.321 1.00 0.00 C ATOM 1038 C ASP A 126 14.503 1.975 7.939 1.00 0.00 C ATOM 1039 O ASP A 126 15.727 2.109 7.985 1.00 0.00 O ATOM 1040 CB ASP A 126 13.210 3.087 9.806 1.00 0.00 C ATOM 1041 CG ASP A 126 14.321 3.562 10.731 1.00 0.00 C ATOM 1042 OD1 ASP A 126 14.363 4.781 10.999 1.00 0.00 O ATOM 1043 OD2 ASP A 126 15.082 2.731 11.280 1.00 0.00 O ATOM 0 H ASP A 126 11.548 3.389 8.090 1.00 0.00 H new ATOM 0 HA ASP A 126 14.205 4.048 8.119 1.00 0.00 H new ATOM 0 HB2 ASP A 126 12.319 3.692 9.974 1.00 0.00 H new ATOM 0 HB3 ASP A 126 12.949 2.059 10.057 1.00 0.00 H new ATOM 1048 N LEU A 127 13.936 0.831 7.524 1.00 0.00 N ATOM 1049 CA LEU A 127 14.676 -0.314 7.005 1.00 0.00 C ATOM 1050 C LEU A 127 14.921 -0.055 5.525 1.00 0.00 C ATOM 1051 O LEU A 127 16.059 -0.120 5.069 1.00 0.00 O ATOM 1052 CB LEU A 127 13.898 -1.621 7.309 1.00 0.00 C ATOM 1053 CG LEU A 127 13.793 -2.705 6.217 1.00 0.00 C ATOM 1054 CD1 LEU A 127 15.166 -3.260 5.854 1.00 0.00 C ATOM 1055 CD2 LEU A 127 12.876 -3.831 6.710 1.00 0.00 C ATOM 0 H LEU A 127 12.927 0.680 7.543 1.00 0.00 H new ATOM 0 HA LEU A 127 15.646 -0.443 7.486 1.00 0.00 H new ATOM 0 HB2 LEU A 127 14.357 -2.080 8.184 1.00 0.00 H new ATOM 0 HB3 LEU A 127 12.883 -1.341 7.592 1.00 0.00 H new ATOM 0 HG LEU A 127 13.372 -2.256 5.318 1.00 0.00 H new ATOM 0 HD11 LEU A 127 15.058 -4.022 5.082 1.00 0.00 H new ATOM 0 HD12 LEU A 127 15.798 -2.453 5.482 1.00 0.00 H new ATOM 0 HD13 LEU A 127 15.625 -3.702 6.738 1.00 0.00 H new ATOM 0 HD21 LEU A 127 12.799 -4.600 5.941 1.00 0.00 H new ATOM 0 HD22 LEU A 127 13.291 -4.267 7.619 1.00 0.00 H new ATOM 0 HD23 LEU A 127 11.886 -3.428 6.921 1.00 0.00 H new ATOM 1067 N ALA A 128 13.864 0.273 4.781 1.00 0.00 N ATOM 1068 CA ALA A 128 13.910 0.486 3.343 1.00 0.00 C ATOM 1069 C ALA A 128 15.026 1.444 2.913 1.00 0.00 C ATOM 1070 O ALA A 128 15.700 1.183 1.921 1.00 0.00 O ATOM 1071 CB ALA A 128 12.542 0.987 2.878 1.00 0.00 C ATOM 0 H ALA A 128 12.932 0.400 5.176 1.00 0.00 H new ATOM 0 HA ALA A 128 14.144 -0.466 2.866 1.00 0.00 H new ATOM 0 HB1 ALA A 128 12.562 1.151 1.801 1.00 0.00 H new ATOM 0 HB2 ALA A 128 11.782 0.244 3.118 1.00 0.00 H new ATOM 0 HB3 ALA A 128 12.306 1.924 3.384 1.00 0.00 H new ATOM 1077 N LEU A 129 15.247 2.524 3.663 1.00 0.00 N ATOM 1078 CA LEU A 129 16.307 3.490 3.443 1.00 0.00 C ATOM 1079 C LEU A 129 17.651 2.791 3.349 1.00 0.00 C ATOM 1080 O LEU A 129 18.369 3.046 2.392 1.00 0.00 O ATOM 1081 CB LEU A 129 16.337 4.542 4.567 1.00 0.00 C ATOM 1082 CG LEU A 129 15.569 5.832 4.213 1.00 0.00 C ATOM 1083 CD1 LEU A 129 14.255 5.929 4.971 1.00 0.00 C ATOM 1084 CD2 LEU A 129 16.391 7.066 4.551 1.00 0.00 C ATOM 0 H LEU A 129 14.666 2.753 4.470 1.00 0.00 H new ATOM 0 HA LEU A 129 16.106 4.000 2.501 1.00 0.00 H new ATOM 0 HB2 LEU A 129 15.910 4.110 5.472 1.00 0.00 H new ATOM 0 HB3 LEU A 129 17.373 4.794 4.792 1.00 0.00 H new ATOM 0 HG LEU A 129 15.373 5.788 3.142 1.00 0.00 H new ATOM 0 HD11 LEU A 129 13.743 6.851 4.695 1.00 0.00 H new ATOM 0 HD12 LEU A 129 13.626 5.075 4.719 1.00 0.00 H new ATOM 0 HD13 LEU A 129 14.453 5.931 6.043 1.00 0.00 H new ATOM 0 HD21 LEU A 129 15.826 7.962 4.292 1.00 0.00 H new ATOM 0 HD22 LEU A 129 16.614 7.074 5.618 1.00 0.00 H new ATOM 0 HD23 LEU A 129 17.323 7.048 3.986 1.00 0.00 H new ATOM 1096 N HIS A 130 17.989 1.912 4.299 1.00 0.00 N ATOM 1097 CA HIS A 130 19.283 1.233 4.341 1.00 0.00 C ATOM 1098 C HIS A 130 19.562 0.478 3.037 1.00 0.00 C ATOM 1099 O HIS A 130 20.718 0.401 2.634 1.00 0.00 O ATOM 1100 CB HIS A 130 19.364 0.315 5.577 1.00 0.00 C ATOM 1101 CG HIS A 130 20.269 -0.885 5.429 1.00 0.00 C ATOM 1102 ND1 HIS A 130 21.484 -1.075 6.047 1.00 0.00 N ATOM 1103 CD2 HIS A 130 20.038 -1.964 4.614 1.00 0.00 C ATOM 1104 CE1 HIS A 130 21.976 -2.246 5.610 1.00 0.00 C ATOM 1105 NE2 HIS A 130 21.124 -2.831 4.754 1.00 0.00 N ATOM 0 H HIS A 130 17.366 1.652 5.064 1.00 0.00 H new ATOM 0 HA HIS A 130 20.067 1.985 4.435 1.00 0.00 H new ATOM 0 HB2 HIS A 130 19.707 0.906 6.427 1.00 0.00 H new ATOM 0 HB3 HIS A 130 18.360 -0.035 5.816 1.00 0.00 H new ATOM 0 HD2 HIS A 130 19.176 -2.115 3.981 1.00 0.00 H new ATOM 0 HE1 HIS A 130 22.928 -2.660 5.907 1.00 0.00 H new ATOM 0 HE2 HIS A 130 21.246 -3.734 4.295 1.00 0.00 H new ATOM 1113 N THR A 131 18.544 -0.048 2.350 1.00 0.00 N ATOM 1114 CA THR A 131 18.698 -0.774 1.089 1.00 0.00 C ATOM 1115 C THR A 131 19.320 0.115 -0.010 1.00 0.00 C ATOM 1116 O THR A 131 19.741 -0.390 -1.053 1.00 0.00 O ATOM 1117 CB THR A 131 17.320 -1.342 0.694 1.00 0.00 C ATOM 1118 OG1 THR A 131 16.706 -1.947 1.821 1.00 0.00 O ATOM 1119 CG2 THR A 131 17.370 -2.402 -0.411 1.00 0.00 C ATOM 0 H THR A 131 17.575 0.020 2.660 1.00 0.00 H new ATOM 0 HA THR A 131 19.398 -1.600 1.213 1.00 0.00 H new ATOM 0 HB THR A 131 16.757 -0.487 0.319 1.00 0.00 H new ATOM 0 HG1 THR A 131 15.740 -2.015 1.670 1.00 0.00 H new ATOM 0 HG21 THR A 131 16.360 -2.749 -0.628 1.00 0.00 H new ATOM 0 HG22 THR A 131 17.807 -1.969 -1.311 1.00 0.00 H new ATOM 0 HG23 THR A 131 17.979 -3.243 -0.081 1.00 0.00 H new ATOM 1127 N TRP A 132 19.461 1.425 0.229 1.00 0.00 N ATOM 1128 CA TRP A 132 20.296 2.281 -0.603 1.00 0.00 C ATOM 1129 C TRP A 132 21.719 1.733 -0.672 1.00 0.00 C ATOM 1130 O TRP A 132 22.300 1.744 -1.749 1.00 0.00 O ATOM 1131 CB TRP A 132 20.315 3.739 -0.111 1.00 0.00 C ATOM 1132 CG TRP A 132 21.397 4.105 0.871 1.00 0.00 C ATOM 1133 CD1 TRP A 132 21.309 4.093 2.218 1.00 0.00 C ATOM 1134 CD2 TRP A 132 22.794 4.429 0.587 1.00 0.00 C ATOM 1135 NE1 TRP A 132 22.523 4.413 2.775 1.00 0.00 N ATOM 1136 CE2 TRP A 132 23.493 4.578 1.820 1.00 0.00 C ATOM 1137 CE3 TRP A 132 23.561 4.510 -0.590 1.00 0.00 C ATOM 1138 CZ2 TRP A 132 24.874 4.798 1.889 1.00 0.00 C ATOM 1139 CZ3 TRP A 132 24.952 4.695 -0.530 1.00 0.00 C ATOM 1140 CH2 TRP A 132 25.614 4.848 0.699 1.00 0.00 C ATOM 0 H TRP A 132 19.002 1.912 0.999 1.00 0.00 H new ATOM 0 HA TRP A 132 19.858 2.280 -1.601 1.00 0.00 H new ATOM 0 HB2 TRP A 132 20.409 4.391 -0.980 1.00 0.00 H new ATOM 0 HB3 TRP A 132 19.351 3.956 0.348 1.00 0.00 H new ATOM 0 HD1 TRP A 132 20.413 3.865 2.777 1.00 0.00 H new ATOM 0 HE1 TRP A 132 22.683 4.515 3.777 1.00 0.00 H new ATOM 0 HE3 TRP A 132 23.074 4.429 -1.551 1.00 0.00 H new ATOM 0 HZ2 TRP A 132 25.362 4.927 2.844 1.00 0.00 H new ATOM 0 HZ3 TRP A 132 25.523 4.720 -1.446 1.00 0.00 H new ATOM 0 HH2 TRP A 132 26.682 5.003 0.727 1.00 0.00 H new ATOM 1151 N GLU A 133 22.278 1.277 0.454 1.00 0.00 N ATOM 1152 CA GLU A 133 23.674 0.896 0.580 1.00 0.00 C ATOM 1153 C GLU A 133 23.951 -0.337 -0.274 1.00 0.00 C ATOM 1154 O GLU A 133 25.038 -0.455 -0.843 1.00 0.00 O ATOM 1155 CB GLU A 133 24.045 0.733 2.067 1.00 0.00 C ATOM 1156 CG GLU A 133 23.994 -0.696 2.641 1.00 0.00 C ATOM 1157 CD GLU A 133 24.399 -0.771 4.123 1.00 0.00 C ATOM 1158 OE1 GLU A 133 24.206 0.198 4.894 1.00 0.00 O ATOM 1159 OE2 GLU A 133 24.951 -1.812 4.556 1.00 0.00 O ATOM 0 H GLU A 133 21.752 1.163 1.320 1.00 0.00 H new ATOM 0 HA GLU A 133 24.324 1.682 0.196 1.00 0.00 H new ATOM 0 HB2 GLU A 133 25.053 1.121 2.211 1.00 0.00 H new ATOM 0 HB3 GLU A 133 23.375 1.360 2.655 1.00 0.00 H new ATOM 0 HG2 GLU A 133 22.984 -1.090 2.527 1.00 0.00 H new ATOM 0 HG3 GLU A 133 24.654 -1.338 2.058 1.00 0.00 H new ATOM 1166 N GLN A 134 22.944 -1.207 -0.399 1.00 0.00 N ATOM 1167 CA GLN A 134 22.936 -2.344 -1.305 1.00 0.00 C ATOM 1168 C GLN A 134 22.955 -1.839 -2.752 1.00 0.00 C ATOM 1169 O GLN A 134 23.905 -2.128 -3.478 1.00 0.00 O ATOM 1170 CB GLN A 134 21.721 -3.262 -1.060 1.00 0.00 C ATOM 1171 CG GLN A 134 21.637 -3.900 0.335 1.00 0.00 C ATOM 1172 CD GLN A 134 22.703 -4.972 0.550 1.00 0.00 C ATOM 1173 OE1 GLN A 134 23.857 -4.663 0.830 1.00 0.00 O ATOM 1174 NE2 GLN A 134 22.351 -6.244 0.460 1.00 0.00 N ATOM 0 H GLN A 134 22.087 -1.131 0.149 1.00 0.00 H new ATOM 0 HA GLN A 134 23.828 -2.942 -1.117 1.00 0.00 H new ATOM 0 HB2 GLN A 134 20.813 -2.684 -1.230 1.00 0.00 H new ATOM 0 HB3 GLN A 134 21.736 -4.059 -1.803 1.00 0.00 H new ATOM 0 HG2 GLN A 134 21.747 -3.125 1.093 1.00 0.00 H new ATOM 0 HG3 GLN A 134 20.650 -4.341 0.471 1.00 0.00 H new ATOM 0 HE21 GLN A 134 21.389 -6.492 0.227 1.00 0.00 H new ATOM 0 HE22 GLN A 134 23.041 -6.977 0.624 1.00 0.00 H new ATOM 1183 N MET A 135 21.923 -1.109 -3.193 1.00 0.00 N ATOM 1184 CA MET A 135 21.775 -0.746 -4.606 1.00 0.00 C ATOM 1185 C MET A 135 22.725 0.375 -5.060 1.00 0.00 C ATOM 1186 O MET A 135 22.833 0.646 -6.254 1.00 0.00 O ATOM 1187 CB MET A 135 20.328 -0.335 -4.893 1.00 0.00 C ATOM 1188 CG MET A 135 19.295 -1.393 -4.496 1.00 0.00 C ATOM 1189 SD MET A 135 17.801 -1.506 -5.520 1.00 0.00 S ATOM 1190 CE MET A 135 17.445 0.214 -5.942 1.00 0.00 C ATOM 0 H MET A 135 21.178 -0.758 -2.591 1.00 0.00 H new ATOM 0 HA MET A 135 22.043 -1.635 -5.176 1.00 0.00 H new ATOM 0 HB2 MET A 135 20.110 0.590 -4.359 1.00 0.00 H new ATOM 0 HB3 MET A 135 20.225 -0.121 -5.957 1.00 0.00 H new ATOM 0 HG2 MET A 135 19.786 -2.366 -4.504 1.00 0.00 H new ATOM 0 HG3 MET A 135 18.988 -1.199 -3.468 1.00 0.00 H new ATOM 0 HE1 MET A 135 16.412 0.300 -6.279 1.00 0.00 H new ATOM 0 HE2 MET A 135 17.594 0.842 -5.064 1.00 0.00 H new ATOM 0 HE3 MET A 135 18.114 0.539 -6.738 1.00 0.00 H new ATOM 1200 N GLY A 136 23.381 1.071 -4.134 1.00 0.00 N ATOM 1201 CA GLY A 136 24.320 2.153 -4.381 1.00 0.00 C ATOM 1202 C GLY A 136 23.686 3.547 -4.494 1.00 0.00 C ATOM 1203 O GLY A 136 24.432 4.506 -4.715 1.00 0.00 O ATOM 0 H GLY A 136 23.262 0.882 -3.139 1.00 0.00 H new ATOM 0 HA2 GLY A 136 25.054 2.168 -3.576 1.00 0.00 H new ATOM 0 HA3 GLY A 136 24.862 1.941 -5.303 1.00 0.00 H new ATOM 1207 N LEU A 137 22.361 3.708 -4.335 1.00 0.00 N ATOM 1208 CA LEU A 137 21.644 4.951 -4.670 1.00 0.00 C ATOM 1209 C LEU A 137 21.826 5.998 -3.566 1.00 0.00 C ATOM 1210 O LEU A 137 20.977 6.156 -2.685 1.00 0.00 O ATOM 1211 CB LEU A 137 20.127 4.726 -4.911 1.00 0.00 C ATOM 1212 CG LEU A 137 19.661 4.193 -6.279 1.00 0.00 C ATOM 1213 CD1 LEU A 137 20.247 4.953 -7.466 1.00 0.00 C ATOM 1214 CD2 LEU A 137 19.924 2.704 -6.424 1.00 0.00 C ATOM 0 H LEU A 137 21.754 2.975 -3.968 1.00 0.00 H new ATOM 0 HA LEU A 137 22.081 5.310 -5.602 1.00 0.00 H new ATOM 0 HB2 LEU A 137 19.772 4.032 -4.149 1.00 0.00 H new ATOM 0 HB3 LEU A 137 19.621 5.676 -4.738 1.00 0.00 H new ATOM 0 HG LEU A 137 18.585 4.364 -6.298 1.00 0.00 H new ATOM 0 HD11 LEU A 137 19.874 4.521 -8.395 1.00 0.00 H new ATOM 0 HD12 LEU A 137 19.952 6.001 -7.409 1.00 0.00 H new ATOM 0 HD13 LEU A 137 21.334 4.881 -7.443 1.00 0.00 H new ATOM 0 HD21 LEU A 137 19.581 2.368 -7.402 1.00 0.00 H new ATOM 0 HD22 LEU A 137 20.993 2.512 -6.329 1.00 0.00 H new ATOM 0 HD23 LEU A 137 19.387 2.162 -5.645 1.00 0.00 H new ATOM 1226 N ARG A 138 22.911 6.769 -3.645 1.00 0.00 N ATOM 1227 CA ARG A 138 23.247 7.808 -2.678 1.00 0.00 C ATOM 1228 C ARG A 138 22.089 8.787 -2.497 1.00 0.00 C ATOM 1229 O ARG A 138 21.653 9.032 -1.369 1.00 0.00 O ATOM 1230 CB ARG A 138 24.511 8.562 -3.137 1.00 0.00 C ATOM 1231 CG ARG A 138 25.470 8.879 -1.989 1.00 0.00 C ATOM 1232 CD ARG A 138 26.571 7.824 -1.870 1.00 0.00 C ATOM 1233 NE ARG A 138 27.607 8.266 -0.935 1.00 0.00 N ATOM 1234 CZ ARG A 138 28.657 7.557 -0.519 1.00 0.00 C ATOM 1235 NH1 ARG A 138 28.920 6.363 -1.041 1.00 0.00 N ATOM 1236 NH2 ARG A 138 29.424 8.093 0.422 1.00 0.00 N ATOM 0 H ARG A 138 23.593 6.685 -4.399 1.00 0.00 H new ATOM 0 HA ARG A 138 23.440 7.331 -1.717 1.00 0.00 H new ATOM 0 HB2 ARG A 138 25.033 7.963 -3.884 1.00 0.00 H new ATOM 0 HB3 ARG A 138 24.216 9.492 -3.623 1.00 0.00 H new ATOM 0 HG2 ARG A 138 25.920 9.859 -2.149 1.00 0.00 H new ATOM 0 HG3 ARG A 138 24.914 8.933 -1.053 1.00 0.00 H new ATOM 0 HD2 ARG A 138 26.144 6.881 -1.529 1.00 0.00 H new ATOM 0 HD3 ARG A 138 27.012 7.638 -2.849 1.00 0.00 H new ATOM 0 HE ARG A 138 27.517 9.212 -0.564 1.00 0.00 H new ATOM 0 HH11 ARG A 138 28.316 5.980 -1.768 1.00 0.00 H new ATOM 0 HH12 ARG A 138 29.726 5.830 -0.715 1.00 0.00 H new ATOM 0 HH21 ARG A 138 29.200 9.014 0.799 1.00 0.00 H new ATOM 0 HH22 ARG A 138 30.237 7.584 0.768 1.00 0.00 H new ATOM 1250 N SER A 139 21.604 9.355 -3.607 1.00 0.00 N ATOM 1251 CA SER A 139 20.683 10.480 -3.590 1.00 0.00 C ATOM 1252 C SER A 139 19.358 10.121 -2.927 1.00 0.00 C ATOM 1253 O SER A 139 18.680 11.014 -2.430 1.00 0.00 O ATOM 1254 CB SER A 139 20.468 11.015 -5.016 1.00 0.00 C ATOM 1255 OG SER A 139 19.742 10.107 -5.831 1.00 0.00 O ATOM 0 H SER A 139 21.846 9.039 -4.546 1.00 0.00 H new ATOM 0 HA SER A 139 21.132 11.270 -2.988 1.00 0.00 H new ATOM 0 HB2 SER A 139 19.933 11.964 -4.968 1.00 0.00 H new ATOM 0 HB3 SER A 139 21.436 11.217 -5.475 1.00 0.00 H new ATOM 0 HG SER A 139 19.628 10.490 -6.726 1.00 0.00 H new ATOM 1261 N LEU A 140 18.981 8.840 -2.929 1.00 0.00 N ATOM 1262 CA LEU A 140 17.700 8.369 -2.427 1.00 0.00 C ATOM 1263 C LEU A 140 17.690 8.530 -0.915 1.00 0.00 C ATOM 1264 O LEU A 140 16.879 9.282 -0.379 1.00 0.00 O ATOM 1265 CB LEU A 140 17.466 6.900 -2.842 1.00 0.00 C ATOM 1266 CG LEU A 140 16.684 6.706 -4.158 1.00 0.00 C ATOM 1267 CD1 LEU A 140 15.253 7.231 -4.013 1.00 0.00 C ATOM 1268 CD2 LEU A 140 17.341 7.313 -5.410 1.00 0.00 C ATOM 0 H LEU A 140 19.573 8.091 -3.288 1.00 0.00 H new ATOM 0 HA LEU A 140 16.887 8.956 -2.855 1.00 0.00 H new ATOM 0 HB2 LEU A 140 18.434 6.407 -2.937 1.00 0.00 H new ATOM 0 HB3 LEU A 140 16.928 6.394 -2.040 1.00 0.00 H new ATOM 0 HG LEU A 140 16.685 5.629 -4.325 1.00 0.00 H new ATOM 0 HD11 LEU A 140 14.716 7.086 -4.950 1.00 0.00 H new ATOM 0 HD12 LEU A 140 14.745 6.688 -3.216 1.00 0.00 H new ATOM 0 HD13 LEU A 140 15.278 8.293 -3.769 1.00 0.00 H new ATOM 0 HD21 LEU A 140 16.712 7.122 -6.280 1.00 0.00 H new ATOM 0 HD22 LEU A 140 17.456 8.388 -5.275 1.00 0.00 H new ATOM 0 HD23 LEU A 140 18.320 6.859 -5.563 1.00 0.00 H new ATOM 1280 N CYS A 141 18.631 7.867 -0.239 1.00 0.00 N ATOM 1281 CA CYS A 141 18.780 7.938 1.209 1.00 0.00 C ATOM 1282 C CYS A 141 18.985 9.378 1.670 1.00 0.00 C ATOM 1283 O CYS A 141 18.442 9.793 2.695 1.00 0.00 O ATOM 1284 CB CYS A 141 19.970 7.067 1.604 1.00 0.00 C ATOM 1285 SG CYS A 141 20.064 6.895 3.405 1.00 0.00 S ATOM 0 H CYS A 141 19.316 7.261 -0.690 1.00 0.00 H new ATOM 0 HA CYS A 141 17.873 7.575 1.693 1.00 0.00 H new ATOM 0 HB2 CYS A 141 19.876 6.083 1.144 1.00 0.00 H new ATOM 0 HB3 CYS A 141 20.892 7.509 1.227 1.00 0.00 H new ATOM 0 HG CYS A 141 20.536 5.721 3.705 1.00 0.00 H new ATOM 1291 N ALA A 142 19.763 10.136 0.893 1.00 0.00 N ATOM 1292 CA ALA A 142 20.028 11.533 1.144 1.00 0.00 C ATOM 1293 C ALA A 142 18.721 12.333 1.107 1.00 0.00 C ATOM 1294 O ALA A 142 18.300 12.877 2.124 1.00 0.00 O ATOM 1295 CB ALA A 142 21.059 12.032 0.127 1.00 0.00 C ATOM 0 H ALA A 142 20.229 9.778 0.059 1.00 0.00 H new ATOM 0 HA ALA A 142 20.448 11.672 2.140 1.00 0.00 H new ATOM 0 HB1 ALA A 142 21.267 13.087 0.307 1.00 0.00 H new ATOM 0 HB2 ALA A 142 21.980 11.458 0.231 1.00 0.00 H new ATOM 0 HB3 ALA A 142 20.665 11.907 -0.882 1.00 0.00 H new ATOM 1301 N GLN A 143 18.062 12.414 -0.051 1.00 0.00 N ATOM 1302 CA GLN A 143 16.879 13.247 -0.262 1.00 0.00 C ATOM 1303 C GLN A 143 15.671 12.761 0.550 1.00 0.00 C ATOM 1304 O GLN A 143 14.743 13.534 0.773 1.00 0.00 O ATOM 1305 CB GLN A 143 16.544 13.314 -1.760 1.00 0.00 C ATOM 1306 CG GLN A 143 17.621 14.070 -2.565 1.00 0.00 C ATOM 1307 CD GLN A 143 17.478 13.895 -4.077 1.00 0.00 C ATOM 1308 OE1 GLN A 143 16.652 13.131 -4.575 1.00 0.00 O ATOM 1309 NE2 GLN A 143 18.322 14.551 -4.857 1.00 0.00 N ATOM 0 H GLN A 143 18.342 11.893 -0.882 1.00 0.00 H new ATOM 0 HA GLN A 143 17.112 14.250 0.097 1.00 0.00 H new ATOM 0 HB2 GLN A 143 16.442 12.303 -2.153 1.00 0.00 H new ATOM 0 HB3 GLN A 143 15.581 13.806 -1.893 1.00 0.00 H new ATOM 0 HG2 GLN A 143 17.568 15.131 -2.322 1.00 0.00 H new ATOM 0 HG3 GLN A 143 18.607 13.721 -2.257 1.00 0.00 H new ATOM 0 HE21 GLN A 143 19.008 15.185 -4.447 1.00 0.00 H new ATOM 0 HE22 GLN A 143 18.287 14.423 -5.868 1.00 0.00 H new ATOM 1318 N ALA A 144 15.664 11.512 1.021 1.00 0.00 N ATOM 1319 CA ALA A 144 14.677 11.013 1.970 1.00 0.00 C ATOM 1320 C ALA A 144 14.833 11.634 3.369 1.00 0.00 C ATOM 1321 O ALA A 144 13.913 11.511 4.182 1.00 0.00 O ATOM 1322 CB ALA A 144 14.778 9.485 2.033 1.00 0.00 C ATOM 0 H ALA A 144 16.355 10.813 0.748 1.00 0.00 H new ATOM 0 HA ALA A 144 13.688 11.307 1.620 1.00 0.00 H new ATOM 0 HB1 ALA A 144 14.043 9.101 2.741 1.00 0.00 H new ATOM 0 HB2 ALA A 144 14.584 9.067 1.045 1.00 0.00 H new ATOM 0 HB3 ALA A 144 15.779 9.200 2.358 1.00 0.00 H new ATOM 1328 N GLN A 145 15.956 12.298 3.671 1.00 0.00 N ATOM 1329 CA GLN A 145 16.332 12.724 5.021 1.00 0.00 C ATOM 1330 C GLN A 145 16.847 14.168 5.060 1.00 0.00 C ATOM 1331 O GLN A 145 16.964 14.740 6.136 1.00 0.00 O ATOM 1332 CB GLN A 145 17.391 11.760 5.577 1.00 0.00 C ATOM 1333 CG GLN A 145 16.786 10.391 5.931 1.00 0.00 C ATOM 1334 CD GLN A 145 17.833 9.417 6.464 1.00 0.00 C ATOM 1335 OE1 GLN A 145 17.810 9.022 7.633 1.00 0.00 O ATOM 1336 NE2 GLN A 145 18.778 9.023 5.628 1.00 0.00 N ATOM 0 H GLN A 145 16.644 12.559 2.964 1.00 0.00 H new ATOM 0 HA GLN A 145 15.437 12.697 5.643 1.00 0.00 H new ATOM 0 HB2 GLN A 145 18.184 11.628 4.841 1.00 0.00 H new ATOM 0 HB3 GLN A 145 17.849 12.196 6.465 1.00 0.00 H new ATOM 0 HG2 GLN A 145 16.003 10.524 6.678 1.00 0.00 H new ATOM 0 HG3 GLN A 145 16.313 9.965 5.046 1.00 0.00 H new ATOM 0 HE21 GLN A 145 18.780 9.360 4.665 1.00 0.00 H new ATOM 0 HE22 GLN A 145 19.505 8.382 5.945 1.00 0.00 H new