USER MOD reduce.3.24.130724 H: found=0, std=0, add=832, rem=0, adj=28 USER MOD reduce.3.24.130724 removed 831 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 82 SER OG : rot 83:sc= 0.615 USER MOD Set 1.2: A 157 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Set 2.1: A 69 GLN : amide:sc= -0.906 K(o=-5.9,f=-12!) USER MOD Set 2.2: A 83 HIS :FLIP no HD1:sc= -3.48! C(o=-6.4!,f=-5.9!) USER MOD Set 2.3: A 86 HIS : no HE2:sc= -0.52 K(o=-5.9,f=-6.9) USER MOD Set 2.4: A 88 HIS : no HD1:sc= -0.963 K(o=-5.9,f=-8.9) USER MOD Set 2.5: A 90 TYR OH : rot 61:sc= 0 USER MOD Set 3.1: A 75 THR OG1 : rot 2:sc= 0.784 USER MOD Set 3.2: A 89 TYR OH : rot 180:sc= 0 USER MOD Single : A 53 ASN : amide:sc= -0.0654 X(o=-0.065,f=-0.12) USER MOD Single : A 55 THR OG1 : rot 180:sc= -1.46! USER MOD Single : A 60 SER OG : rot 180:sc= -1.05 USER MOD Single : A 61 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 66 ASN : amide:sc= -0.343 X(o=-0.34,f=-0.25) USER MOD Single : A 73 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 77 GLN : amide:sc= 0 K(o=0,f=-0.66) USER MOD Single : A 79 TYR OH : rot 30:sc= 0 USER MOD Single : A 81 THR OG1 : rot -96:sc= 0.763 USER MOD Single : A 87 TYR OH : rot 180:sc= 0 USER MOD Single : A 91 ASN : amide:sc= -0.299 X(o=-0.3,f=-0.074) USER MOD Single : A 93 LYS NZ :NH3+ 174:sc= 0 (180deg=-0.0597) USER MOD Single : A 96 TYR OH : rot 180:sc= 0 USER MOD Single : A 101 SER OG : rot 179:sc= 0.164 USER MOD Single : A 106 MET CE :methyl -162:sc= 0 (180deg=-0.651) USER MOD Single : A 111 TYR OH : rot -146:sc= -0.741! USER MOD Single : A 112 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 114 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 116 SER OG : rot 180:sc= 0 USER MOD Single : A 120 ASN : amide:sc= -0.798 X(o=-0.8,f=-0.58) USER MOD Single : A 123 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 126 TYR OH : rot -37:sc= 0.0491 USER MOD Single : A 129 LYS NZ :NH3+ -137:sc= 1.33 (180deg=1.19) USER MOD Single : A 133 LYS NZ :NH3+ 168:sc= 1.29 (180deg=1.05) USER MOD Single : A 134 TYR OH : rot 180:sc= -2.04 USER MOD Single : A 135 TYR OH : rot 180:sc= 0 USER MOD Single : A 137 TYR OH : rot 150:sc= -0.0723 USER MOD Single : A 139 LYS NZ :NH3+ 175:sc= 0 (180deg=-0.0341) USER MOD Single : A 143 HIS : no HD1:sc= 0 X(o=0,f=0) USER MOD Single : A 146 ASN :FLIP amide:sc= -1.05 F(o=-1.6,f=-1.1) USER MOD Single : A 149 THR OG1 : rot 180:sc=-0.00111 USER MOD Single : A 150 LYS NZ :NH3+ 133:sc= 1.25 (180deg=0.756) USER MOD Single : A 154 LYS NZ :NH3+ -114:sc= 0.864 (180deg=-0.213) USER MOD Single : A 156 GLN : amide:sc= -0.447 X(o=-0.45,f=-0.63) USER MOD Single : A 158 GLN : amide:sc= -0.567 K(o=-0.57,f=-2.7!) USER MOD ----------------------------------------------------------------- ATOM 157 N ALA A 51 -9.021 -9.726 0.226 1.00 0.80 N ATOM 158 CA ALA A 51 -7.852 -9.768 -0.644 1.00 0.75 C ATOM 159 C ALA A 51 -8.295 -9.612 -2.093 1.00 0.83 C ATOM 160 O ALA A 51 -8.166 -10.527 -2.908 1.00 1.01 O ATOM 161 CB ALA A 51 -7.049 -11.045 -0.438 1.00 0.84 C ATOM 0 HA ALA A 51 -7.191 -8.940 -0.388 1.00 0.75 H new ATOM 0 HB1 ALA A 51 -6.185 -11.043 -1.103 1.00 0.84 H new ATOM 0 HB2 ALA A 51 -6.711 -11.099 0.597 1.00 0.84 H new ATOM 0 HB3 ALA A 51 -7.676 -11.909 -0.661 1.00 0.84 H new ATOM 167 N GLU A 52 -8.846 -8.437 -2.373 1.00 0.75 N ATOM 168 CA GLU A 52 -9.418 -8.098 -3.675 1.00 0.86 C ATOM 169 C GLU A 52 -8.522 -8.519 -4.828 1.00 0.97 C ATOM 170 O GLU A 52 -7.385 -8.060 -4.942 1.00 1.04 O ATOM 171 CB GLU A 52 -9.644 -6.589 -3.774 1.00 0.83 C ATOM 172 CG GLU A 52 -10.006 -5.931 -2.458 1.00 0.91 C ATOM 173 CD GLU A 52 -11.283 -6.488 -1.850 1.00 1.63 C ATOM 174 OE1 GLU A 52 -12.374 -5.992 -2.195 1.00 2.04 O ATOM 175 OE2 GLU A 52 -11.209 -7.414 -1.018 1.00 1.98 O ATOM 0 H GLU A 52 -8.910 -7.680 -1.693 1.00 0.75 H new ATOM 0 HA GLU A 52 -10.361 -8.639 -3.751 1.00 0.86 H new ATOM 0 HB2 GLU A 52 -8.740 -6.122 -4.165 1.00 0.83 H new ATOM 0 HB3 GLU A 52 -10.439 -6.398 -4.495 1.00 0.83 H new ATOM 0 HG2 GLU A 52 -9.186 -6.065 -1.753 1.00 0.91 H new ATOM 0 HG3 GLU A 52 -10.121 -4.858 -2.613 1.00 0.91 H new ATOM 182 N ASN A 53 -9.043 -9.388 -5.681 1.00 1.07 N ATOM 183 CA ASN A 53 -8.363 -9.729 -6.921 1.00 1.20 C ATOM 184 C ASN A 53 -8.669 -8.668 -7.970 1.00 1.20 C ATOM 185 O ASN A 53 -7.962 -8.535 -8.967 1.00 1.34 O ATOM 186 CB ASN A 53 -8.785 -11.115 -7.433 1.00 1.31 C ATOM 187 CG ASN A 53 -10.268 -11.207 -7.751 1.00 1.88 C ATOM 188 OD1 ASN A 53 -10.708 -10.865 -8.851 1.00 2.59 O ATOM 189 ND2 ASN A 53 -11.049 -11.687 -6.796 1.00 2.43 N ATOM 0 H ASN A 53 -9.931 -9.868 -5.538 1.00 1.07 H new ATOM 0 HA ASN A 53 -7.291 -9.762 -6.728 1.00 1.20 H new ATOM 0 HB2 ASN A 53 -8.212 -11.355 -8.329 1.00 1.31 H new ATOM 0 HB3 ASN A 53 -8.533 -11.865 -6.683 1.00 1.31 H new ATOM 0 HD21 ASN A 53 -12.051 -11.784 -6.958 1.00 2.43 H new ATOM 0 HD22 ASN A 53 -10.648 -11.960 -5.898 1.00 2.43 H new ATOM 196 N LEU A 54 -9.731 -7.908 -7.721 1.00 1.12 N ATOM 197 CA LEU A 54 -10.123 -6.811 -8.579 1.00 1.15 C ATOM 198 C LEU A 54 -9.079 -5.704 -8.521 1.00 1.13 C ATOM 199 O LEU A 54 -8.240 -5.678 -7.615 1.00 1.13 O ATOM 200 CB LEU A 54 -11.463 -6.280 -8.096 1.00 1.18 C ATOM 201 CG LEU A 54 -12.491 -6.008 -9.175 1.00 1.18 C ATOM 202 CD1 LEU A 54 -12.912 -7.288 -9.867 1.00 1.28 C ATOM 203 CD2 LEU A 54 -13.675 -5.315 -8.554 1.00 1.81 C ATOM 0 H LEU A 54 -10.341 -8.041 -6.915 1.00 1.12 H new ATOM 0 HA LEU A 54 -10.205 -7.156 -9.610 1.00 1.15 H new ATOM 0 HB2 LEU A 54 -11.884 -6.997 -7.391 1.00 1.18 H new ATOM 0 HB3 LEU A 54 -11.289 -5.356 -7.545 1.00 1.18 H new ATOM 0 HG LEU A 54 -12.051 -5.364 -9.937 1.00 1.18 H new ATOM 0 HD11 LEU A 54 -13.650 -7.060 -10.636 1.00 1.28 H new ATOM 0 HD12 LEU A 54 -12.042 -7.756 -10.327 1.00 1.28 H new ATOM 0 HD13 LEU A 54 -13.347 -7.970 -9.137 1.00 1.28 H new ATOM 0 HD21 LEU A 54 -14.422 -5.114 -9.321 1.00 1.81 H new ATOM 0 HD22 LEU A 54 -14.108 -5.954 -7.784 1.00 1.81 H new ATOM 0 HD23 LEU A 54 -13.353 -4.375 -8.106 1.00 1.81 H new ATOM 215 N THR A 55 -9.129 -4.789 -9.474 1.00 1.16 N ATOM 216 CA THR A 55 -8.167 -3.703 -9.513 1.00 1.21 C ATOM 217 C THR A 55 -8.572 -2.593 -8.549 1.00 1.14 C ATOM 218 O THR A 55 -9.764 -2.417 -8.289 1.00 1.09 O ATOM 219 CB THR A 55 -8.009 -3.117 -10.930 1.00 1.31 C ATOM 220 OG1 THR A 55 -9.226 -2.491 -11.348 1.00 1.30 O ATOM 221 CG2 THR A 55 -7.640 -4.198 -11.928 1.00 1.40 C ATOM 0 H THR A 55 -9.819 -4.776 -10.225 1.00 1.16 H new ATOM 0 HA THR A 55 -7.207 -4.121 -9.211 1.00 1.21 H new ATOM 0 HB THR A 55 -7.209 -2.378 -10.895 1.00 1.31 H new ATOM 0 HG1 THR A 55 -9.111 -2.122 -12.249 1.00 1.30 H new ATOM 0 HG21 THR A 55 -7.535 -3.757 -12.919 1.00 1.40 H new ATOM 0 HG22 THR A 55 -6.697 -4.658 -11.634 1.00 1.40 H new ATOM 0 HG23 THR A 55 -8.423 -4.956 -11.949 1.00 1.40 H new ATOM 229 N PRO A 56 -7.604 -1.845 -8.002 1.00 1.18 N ATOM 230 CA PRO A 56 -7.853 -0.810 -6.988 1.00 1.10 C ATOM 231 C PRO A 56 -9.045 0.095 -7.319 1.00 1.05 C ATOM 232 O PRO A 56 -9.858 0.419 -6.446 1.00 0.97 O ATOM 233 CB PRO A 56 -6.556 0.010 -6.965 1.00 1.21 C ATOM 234 CG PRO A 56 -5.659 -0.579 -8.008 1.00 1.38 C ATOM 235 CD PRO A 56 -6.179 -1.950 -8.320 1.00 1.34 C ATOM 0 HA PRO A 56 -8.108 -1.263 -6.030 1.00 1.10 H new ATOM 0 HB2 PRO A 56 -6.758 1.060 -7.176 1.00 1.21 H new ATOM 0 HB3 PRO A 56 -6.088 -0.033 -5.982 1.00 1.21 H new ATOM 0 HG2 PRO A 56 -5.651 0.042 -8.904 1.00 1.38 H new ATOM 0 HG3 PRO A 56 -4.632 -0.630 -7.647 1.00 1.38 H new ATOM 0 HD2 PRO A 56 -6.018 -2.214 -9.365 1.00 1.34 H new ATOM 0 HD3 PRO A 56 -5.687 -2.714 -7.718 1.00 1.34 H new ATOM 243 N ASP A 57 -9.166 0.454 -8.591 1.00 1.13 N ATOM 244 CA ASP A 57 -10.209 1.369 -9.047 1.00 1.14 C ATOM 245 C ASP A 57 -11.567 0.723 -8.876 1.00 1.07 C ATOM 246 O ASP A 57 -12.483 1.304 -8.292 1.00 1.05 O ATOM 247 CB ASP A 57 -10.007 1.736 -10.519 1.00 1.30 C ATOM 248 CG ASP A 57 -8.747 2.534 -10.766 1.00 1.61 C ATOM 249 OD1 ASP A 57 -7.690 1.917 -11.020 1.00 2.15 O ATOM 250 OD2 ASP A 57 -8.812 3.777 -10.734 1.00 1.67 O ATOM 0 H ASP A 57 -8.549 0.123 -9.333 1.00 1.13 H new ATOM 0 HA ASP A 57 -10.152 2.278 -8.448 1.00 1.14 H new ATOM 0 HB2 ASP A 57 -9.973 0.823 -11.113 1.00 1.30 H new ATOM 0 HB3 ASP A 57 -10.867 2.310 -10.865 1.00 1.30 H new ATOM 255 N GLU A 58 -11.674 -0.497 -9.383 1.00 1.09 N ATOM 256 CA GLU A 58 -12.887 -1.280 -9.267 1.00 1.05 C ATOM 257 C GLU A 58 -13.278 -1.424 -7.808 1.00 0.93 C ATOM 258 O GLU A 58 -14.452 -1.331 -7.455 1.00 0.93 O ATOM 259 CB GLU A 58 -12.656 -2.660 -9.864 1.00 1.12 C ATOM 260 CG GLU A 58 -12.253 -2.644 -11.318 1.00 1.26 C ATOM 261 CD GLU A 58 -12.035 -4.028 -11.881 1.00 1.83 C ATOM 262 OE1 GLU A 58 -10.995 -4.645 -11.578 1.00 2.17 O ATOM 263 OE2 GLU A 58 -12.922 -4.510 -12.615 1.00 2.54 O ATOM 0 H GLU A 58 -10.921 -0.968 -9.885 1.00 1.09 H new ATOM 0 HA GLU A 58 -13.690 -0.774 -9.803 1.00 1.05 H new ATOM 0 HB2 GLU A 58 -11.881 -3.167 -9.289 1.00 1.12 H new ATOM 0 HB3 GLU A 58 -13.568 -3.247 -9.758 1.00 1.12 H new ATOM 0 HG2 GLU A 58 -13.025 -2.138 -11.898 1.00 1.26 H new ATOM 0 HG3 GLU A 58 -11.338 -2.063 -11.430 1.00 1.26 H new ATOM 270 N VAL A 59 -12.273 -1.628 -6.967 1.00 0.86 N ATOM 271 CA VAL A 59 -12.493 -1.823 -5.538 1.00 0.75 C ATOM 272 C VAL A 59 -13.220 -0.633 -4.930 1.00 0.71 C ATOM 273 O VAL A 59 -14.349 -0.756 -4.455 1.00 0.71 O ATOM 274 CB VAL A 59 -11.162 -2.017 -4.783 1.00 0.72 C ATOM 275 CG1 VAL A 59 -11.395 -2.136 -3.280 1.00 0.63 C ATOM 276 CG2 VAL A 59 -10.419 -3.235 -5.310 1.00 0.82 C ATOM 0 H VAL A 59 -11.294 -1.663 -7.250 1.00 0.86 H new ATOM 0 HA VAL A 59 -13.102 -2.721 -5.435 1.00 0.75 H new ATOM 0 HB VAL A 59 -10.545 -1.136 -4.958 1.00 0.72 H new ATOM 0 HG11 VAL A 59 -10.440 -2.272 -2.773 1.00 0.63 H new ATOM 0 HG12 VAL A 59 -11.874 -1.228 -2.913 1.00 0.63 H new ATOM 0 HG13 VAL A 59 -12.038 -2.993 -3.078 1.00 0.63 H new ATOM 0 HG21 VAL A 59 -9.483 -3.354 -4.764 1.00 0.82 H new ATOM 0 HG22 VAL A 59 -11.035 -4.124 -5.173 1.00 0.82 H new ATOM 0 HG23 VAL A 59 -10.206 -3.101 -6.371 1.00 0.82 H new ATOM 286 N SER A 60 -12.575 0.519 -4.993 1.00 0.70 N ATOM 287 CA SER A 60 -13.042 1.707 -4.306 1.00 0.70 C ATOM 288 C SER A 60 -14.388 2.187 -4.848 1.00 0.74 C ATOM 289 O SER A 60 -15.238 2.666 -4.090 1.00 0.72 O ATOM 290 CB SER A 60 -11.997 2.801 -4.441 1.00 0.76 C ATOM 291 OG SER A 60 -11.660 3.355 -3.182 1.00 0.97 O ATOM 0 H SER A 60 -11.714 0.655 -5.522 1.00 0.70 H new ATOM 0 HA SER A 60 -13.190 1.461 -3.255 1.00 0.70 H new ATOM 0 HB2 SER A 60 -11.102 2.395 -4.912 1.00 0.76 H new ATOM 0 HB3 SER A 60 -12.374 3.586 -5.096 1.00 0.76 H new ATOM 0 HG SER A 60 -10.984 4.055 -3.303 1.00 0.97 H new ATOM 297 N LYS A 61 -14.583 2.047 -6.152 1.00 0.87 N ATOM 298 CA LYS A 61 -15.820 2.474 -6.784 1.00 0.96 C ATOM 299 C LYS A 61 -17.003 1.622 -6.325 1.00 0.94 C ATOM 300 O LYS A 61 -18.087 2.143 -6.051 1.00 1.01 O ATOM 301 CB LYS A 61 -15.707 2.413 -8.307 1.00 1.10 C ATOM 302 CG LYS A 61 -14.720 3.404 -8.904 1.00 1.17 C ATOM 303 CD LYS A 61 -14.764 3.377 -10.426 1.00 1.36 C ATOM 304 CE LYS A 61 -14.358 2.019 -10.982 1.00 2.01 C ATOM 305 NZ LYS A 61 -14.582 1.925 -12.448 1.00 2.54 N ATOM 0 H LYS A 61 -13.900 1.641 -6.791 1.00 0.87 H new ATOM 0 HA LYS A 61 -15.995 3.506 -6.481 1.00 0.96 H new ATOM 0 HB2 LYS A 61 -15.411 1.405 -8.597 1.00 1.10 H new ATOM 0 HB3 LYS A 61 -16.691 2.593 -8.740 1.00 1.10 H new ATOM 0 HG2 LYS A 61 -14.950 4.409 -8.549 1.00 1.17 H new ATOM 0 HG3 LYS A 61 -13.712 3.168 -8.563 1.00 1.17 H new ATOM 0 HD2 LYS A 61 -15.771 3.621 -10.764 1.00 1.36 H new ATOM 0 HD3 LYS A 61 -14.099 4.145 -10.822 1.00 1.36 H new ATOM 0 HE2 LYS A 61 -13.305 1.839 -10.764 1.00 2.01 H new ATOM 0 HE3 LYS A 61 -14.926 1.237 -10.478 1.00 2.01 H new ATOM 0 HZ1 LYS A 61 -14.292 0.984 -12.784 1.00 2.54 H new ATOM 0 HZ2 LYS A 61 -15.591 2.071 -12.655 1.00 2.54 H new ATOM 0 HZ3 LYS A 61 -14.020 2.654 -12.932 1.00 2.54 H new ATOM 319 N ARG A 62 -16.788 0.312 -6.233 1.00 0.88 N ATOM 320 CA ARG A 62 -17.854 -0.612 -5.878 1.00 0.89 C ATOM 321 C ARG A 62 -18.228 -0.507 -4.401 1.00 0.77 C ATOM 322 O ARG A 62 -19.366 -0.785 -4.024 1.00 0.82 O ATOM 323 CB ARG A 62 -17.462 -2.053 -6.220 1.00 0.93 C ATOM 324 CG ARG A 62 -17.315 -2.309 -7.709 1.00 1.21 C ATOM 325 CD ARG A 62 -17.045 -3.772 -7.999 1.00 1.21 C ATOM 326 NE ARG A 62 -16.838 -4.033 -9.423 1.00 1.85 N ATOM 327 CZ ARG A 62 -16.775 -5.257 -9.947 1.00 2.40 C ATOM 328 NH1 ARG A 62 -16.949 -6.322 -9.169 1.00 2.53 N ATOM 329 NH2 ARG A 62 -16.528 -5.417 -11.241 1.00 3.33 N ATOM 0 H ARG A 62 -15.884 -0.130 -6.400 1.00 0.88 H new ATOM 0 HA ARG A 62 -18.729 -0.334 -6.466 1.00 0.89 H new ATOM 0 HB2 ARG A 62 -16.521 -2.291 -5.725 1.00 0.93 H new ATOM 0 HB3 ARG A 62 -18.215 -2.730 -5.817 1.00 0.93 H new ATOM 0 HG2 ARG A 62 -18.224 -1.997 -8.224 1.00 1.21 H new ATOM 0 HG3 ARG A 62 -16.500 -1.703 -8.104 1.00 1.21 H new ATOM 0 HD2 ARG A 62 -16.164 -4.093 -7.443 1.00 1.21 H new ATOM 0 HD3 ARG A 62 -17.883 -4.370 -7.642 1.00 1.21 H new ATOM 0 HE ARG A 62 -16.736 -3.235 -10.050 1.00 1.85 H new ATOM 0 HH11 ARG A 62 -17.130 -6.201 -8.173 1.00 2.53 H new ATOM 0 HH12 ARG A 62 -16.901 -7.259 -9.569 1.00 2.53 H new ATOM 0 HH21 ARG A 62 -16.386 -4.602 -11.838 1.00 3.33 H new ATOM 0 HH22 ARG A 62 -16.480 -6.355 -11.639 1.00 3.33 H new ATOM 343 N GLU A 63 -17.275 -0.115 -3.564 1.00 0.68 N ATOM 344 CA GLU A 63 -17.543 0.033 -2.136 1.00 0.63 C ATOM 345 C GLU A 63 -18.153 1.393 -1.816 1.00 0.66 C ATOM 346 O GLU A 63 -19.008 1.497 -0.942 1.00 0.73 O ATOM 347 CB GLU A 63 -16.280 -0.198 -1.314 1.00 0.59 C ATOM 348 CG GLU A 63 -15.055 0.490 -1.874 1.00 0.58 C ATOM 349 CD GLU A 63 -13.826 0.230 -1.047 1.00 0.65 C ATOM 350 OE1 GLU A 63 -13.935 0.107 0.165 1.00 1.21 O ATOM 351 OE2 GLU A 63 -12.736 0.127 -1.646 1.00 1.25 O ATOM 0 H GLU A 63 -16.319 0.104 -3.844 1.00 0.68 H new ATOM 0 HA GLU A 63 -18.273 -0.729 -1.863 1.00 0.63 H new ATOM 0 HB2 GLU A 63 -16.450 0.154 -0.297 1.00 0.59 H new ATOM 0 HB3 GLU A 63 -16.088 -1.269 -1.253 1.00 0.59 H new ATOM 0 HG2 GLU A 63 -14.883 0.147 -2.894 1.00 0.58 H new ATOM 0 HG3 GLU A 63 -15.235 1.564 -1.925 1.00 0.58 H new ATOM 358 N GLY A 64 -17.707 2.434 -2.504 1.00 0.69 N ATOM 359 CA GLY A 64 -18.344 3.726 -2.348 1.00 0.74 C ATOM 360 C GLY A 64 -17.415 4.819 -1.858 1.00 0.72 C ATOM 361 O GLY A 64 -17.396 5.910 -2.432 1.00 0.86 O ATOM 0 H GLY A 64 -16.926 2.409 -3.159 1.00 0.69 H new ATOM 0 HA2 GLY A 64 -18.769 4.027 -3.305 1.00 0.74 H new ATOM 0 HA3 GLY A 64 -19.173 3.628 -1.648 1.00 0.74 H new ATOM 365 N ILE A 65 -16.649 4.543 -0.800 1.00 0.62 N ATOM 366 CA ILE A 65 -15.791 5.563 -0.192 1.00 0.67 C ATOM 367 C ILE A 65 -14.873 6.223 -1.212 1.00 0.81 C ATOM 368 O ILE A 65 -14.767 7.449 -1.258 1.00 1.76 O ATOM 369 CB ILE A 65 -14.948 5.022 0.987 1.00 0.61 C ATOM 370 CG1 ILE A 65 -14.289 3.681 0.655 1.00 0.53 C ATOM 371 CG2 ILE A 65 -15.801 4.893 2.231 1.00 0.89 C ATOM 372 CD1 ILE A 65 -13.482 3.116 1.806 1.00 0.49 C ATOM 0 H ILE A 65 -16.605 3.629 -0.349 1.00 0.62 H new ATOM 0 HA ILE A 65 -16.478 6.312 0.203 1.00 0.67 H new ATOM 0 HB ILE A 65 -14.151 5.742 1.172 1.00 0.61 H new ATOM 0 HG12 ILE A 65 -15.060 2.964 0.373 1.00 0.53 H new ATOM 0 HG13 ILE A 65 -13.638 3.807 -0.210 1.00 0.53 H new ATOM 0 HG21 ILE A 65 -15.193 4.511 3.051 1.00 0.89 H new ATOM 0 HG22 ILE A 65 -16.201 5.870 2.501 1.00 0.89 H new ATOM 0 HG23 ILE A 65 -16.624 4.204 2.038 1.00 0.89 H new ATOM 0 HD11 ILE A 65 -13.040 2.165 1.508 1.00 0.49 H new ATOM 0 HD12 ILE A 65 -12.690 3.816 2.074 1.00 0.49 H new ATOM 0 HD13 ILE A 65 -14.134 2.960 2.665 1.00 0.49 H new ATOM 384 N ASN A 66 -14.212 5.398 -2.025 1.00 0.75 N ATOM 385 CA ASN A 66 -13.382 5.869 -3.139 1.00 0.69 C ATOM 386 C ASN A 66 -12.143 6.627 -2.647 1.00 0.61 C ATOM 387 O ASN A 66 -11.322 7.075 -3.447 1.00 0.64 O ATOM 388 CB ASN A 66 -14.219 6.733 -4.096 1.00 0.83 C ATOM 389 CG ASN A 66 -13.474 7.136 -5.358 1.00 1.38 C ATOM 390 OD1 ASN A 66 -13.389 6.367 -6.315 1.00 2.09 O ATOM 391 ND2 ASN A 66 -12.962 8.355 -5.385 1.00 2.10 N ATOM 0 H ASN A 66 -14.236 4.383 -1.931 1.00 0.75 H new ATOM 0 HA ASN A 66 -13.023 4.995 -3.683 1.00 0.69 H new ATOM 0 HB2 ASN A 66 -15.119 6.185 -4.374 1.00 0.83 H new ATOM 0 HB3 ASN A 66 -14.543 7.632 -3.572 1.00 0.83 H new ATOM 0 HD21 ASN A 66 -12.477 8.686 -6.219 1.00 2.10 H new ATOM 0 HD22 ASN A 66 -13.052 8.964 -4.572 1.00 2.10 H new ATOM 398 N ALA A 67 -11.998 6.745 -1.327 1.00 0.54 N ATOM 399 CA ALA A 67 -10.855 7.442 -0.740 1.00 0.49 C ATOM 400 C ALA A 67 -9.542 6.765 -1.123 1.00 0.44 C ATOM 401 O ALA A 67 -9.528 5.594 -1.516 1.00 0.45 O ATOM 402 CB ALA A 67 -10.998 7.503 0.770 1.00 0.47 C ATOM 0 H ALA A 67 -12.657 6.368 -0.646 1.00 0.54 H new ATOM 0 HA ALA A 67 -10.837 8.458 -1.135 1.00 0.49 H new ATOM 0 HB1 ALA A 67 -10.141 8.024 1.196 1.00 0.47 H new ATOM 0 HB2 ALA A 67 -11.912 8.037 1.028 1.00 0.47 H new ATOM 0 HB3 ALA A 67 -11.044 6.491 1.172 1.00 0.47 H new ATOM 408 N GLU A 68 -8.440 7.497 -0.990 1.00 0.44 N ATOM 409 CA GLU A 68 -7.142 7.004 -1.430 1.00 0.42 C ATOM 410 C GLU A 68 -6.689 5.824 -0.595 1.00 0.34 C ATOM 411 O GLU A 68 -6.769 5.844 0.632 1.00 0.35 O ATOM 412 CB GLU A 68 -6.090 8.106 -1.381 1.00 0.50 C ATOM 413 CG GLU A 68 -6.369 9.230 -2.357 1.00 0.78 C ATOM 414 CD GLU A 68 -6.727 8.720 -3.737 1.00 1.79 C ATOM 415 OE1 GLU A 68 -5.895 8.021 -4.355 1.00 2.28 O ATOM 416 OE2 GLU A 68 -7.845 9.015 -4.210 1.00 2.59 O ATOM 0 H GLU A 68 -8.421 8.432 -0.582 1.00 0.44 H new ATOM 0 HA GLU A 68 -7.256 6.675 -2.463 1.00 0.42 H new ATOM 0 HB2 GLU A 68 -6.043 8.512 -0.371 1.00 0.50 H new ATOM 0 HB3 GLU A 68 -5.112 7.677 -1.598 1.00 0.50 H new ATOM 0 HG2 GLU A 68 -7.185 9.844 -1.976 1.00 0.78 H new ATOM 0 HG3 GLU A 68 -5.492 9.873 -2.427 1.00 0.78 H new ATOM 423 N GLN A 69 -6.198 4.809 -1.281 1.00 0.31 N ATOM 424 CA GLN A 69 -5.834 3.555 -0.651 1.00 0.24 C ATOM 425 C GLN A 69 -4.443 3.644 -0.050 1.00 0.21 C ATOM 426 O GLN A 69 -3.441 3.600 -0.760 1.00 0.27 O ATOM 427 CB GLN A 69 -5.917 2.429 -1.676 1.00 0.29 C ATOM 428 CG GLN A 69 -7.316 2.258 -2.239 1.00 0.43 C ATOM 429 CD GLN A 69 -7.344 1.451 -3.517 1.00 0.80 C ATOM 430 OE1 GLN A 69 -6.391 1.461 -4.293 1.00 1.64 O ATOM 431 NE2 GLN A 69 -8.440 0.751 -3.745 1.00 0.76 N ATOM 0 H GLN A 69 -6.041 4.831 -2.289 1.00 0.31 H new ATOM 0 HA GLN A 69 -6.531 3.344 0.160 1.00 0.24 H new ATOM 0 HB2 GLN A 69 -5.223 2.632 -2.491 1.00 0.29 H new ATOM 0 HB3 GLN A 69 -5.599 1.495 -1.212 1.00 0.29 H new ATOM 0 HG2 GLN A 69 -7.944 1.770 -1.494 1.00 0.43 H new ATOM 0 HG3 GLN A 69 -7.749 3.241 -2.427 1.00 0.43 H new ATOM 0 HE21 GLN A 69 -9.207 0.772 -3.073 1.00 0.76 H new ATOM 0 HE22 GLN A 69 -8.519 0.189 -4.593 1.00 0.76 H new ATOM 440 N ILE A 70 -4.399 3.784 1.264 1.00 0.19 N ATOM 441 CA ILE A 70 -3.149 3.950 1.982 1.00 0.17 C ATOM 442 C ILE A 70 -2.670 2.614 2.538 1.00 0.14 C ATOM 443 O ILE A 70 -3.147 2.158 3.577 1.00 0.14 O ATOM 444 CB ILE A 70 -3.322 4.959 3.131 1.00 0.21 C ATOM 445 CG1 ILE A 70 -3.957 6.240 2.586 1.00 0.27 C ATOM 446 CG2 ILE A 70 -1.982 5.257 3.788 1.00 0.21 C ATOM 447 CD1 ILE A 70 -4.406 7.203 3.656 1.00 0.36 C ATOM 0 H ILE A 70 -5.226 3.786 1.861 1.00 0.19 H new ATOM 0 HA ILE A 70 -2.403 4.329 1.284 1.00 0.17 H new ATOM 0 HB ILE A 70 -3.976 4.532 3.891 1.00 0.21 H new ATOM 0 HG12 ILE A 70 -3.239 6.742 1.937 1.00 0.27 H new ATOM 0 HG13 ILE A 70 -4.814 5.974 1.967 1.00 0.27 H new ATOM 0 HG21 ILE A 70 -2.125 5.972 4.598 1.00 0.21 H new ATOM 0 HG22 ILE A 70 -1.560 4.335 4.188 1.00 0.21 H new ATOM 0 HG23 ILE A 70 -1.300 5.677 3.049 1.00 0.21 H new ATOM 0 HD11 ILE A 70 -4.845 8.085 3.190 1.00 0.36 H new ATOM 0 HD12 ILE A 70 -5.149 6.720 4.291 1.00 0.36 H new ATOM 0 HD13 ILE A 70 -3.549 7.500 4.261 1.00 0.36 H new ATOM 459 N VAL A 71 -1.746 1.984 1.828 1.00 0.15 N ATOM 460 CA VAL A 71 -1.222 0.684 2.216 1.00 0.15 C ATOM 461 C VAL A 71 -0.487 0.776 3.554 1.00 0.14 C ATOM 462 O VAL A 71 0.595 1.356 3.645 1.00 0.17 O ATOM 463 CB VAL A 71 -0.273 0.108 1.136 1.00 0.18 C ATOM 464 CG1 VAL A 71 0.248 -1.254 1.547 1.00 0.19 C ATOM 465 CG2 VAL A 71 -0.964 0.016 -0.218 1.00 0.20 C ATOM 0 H VAL A 71 -1.340 2.358 0.970 1.00 0.15 H new ATOM 0 HA VAL A 71 -2.072 0.009 2.319 1.00 0.15 H new ATOM 0 HB VAL A 71 0.570 0.793 1.043 1.00 0.18 H new ATOM 0 HG11 VAL A 71 0.912 -1.638 0.773 1.00 0.19 H new ATOM 0 HG12 VAL A 71 0.796 -1.166 2.485 1.00 0.19 H new ATOM 0 HG13 VAL A 71 -0.589 -1.939 1.679 1.00 0.19 H new ATOM 0 HG21 VAL A 71 -0.271 -0.392 -0.953 1.00 0.20 H new ATOM 0 HG22 VAL A 71 -1.834 -0.636 -0.139 1.00 0.20 H new ATOM 0 HG23 VAL A 71 -1.283 1.010 -0.532 1.00 0.20 H new ATOM 475 N ILE A 72 -1.101 0.223 4.591 1.00 0.14 N ATOM 476 CA ILE A 72 -0.517 0.215 5.925 1.00 0.17 C ATOM 477 C ILE A 72 0.192 -1.103 6.185 1.00 0.22 C ATOM 478 O ILE A 72 1.078 -1.195 7.037 1.00 0.29 O ATOM 479 CB ILE A 72 -1.591 0.420 7.008 1.00 0.18 C ATOM 480 CG1 ILE A 72 -2.714 -0.606 6.823 1.00 0.19 C ATOM 481 CG2 ILE A 72 -2.132 1.840 6.953 1.00 0.19 C ATOM 482 CD1 ILE A 72 -3.709 -0.646 7.956 1.00 0.21 C ATOM 0 H ILE A 72 -2.013 -0.230 4.532 1.00 0.14 H new ATOM 0 HA ILE A 72 0.196 1.038 5.971 1.00 0.17 H new ATOM 0 HB ILE A 72 -1.145 0.270 7.991 1.00 0.18 H new ATOM 0 HG12 ILE A 72 -3.244 -0.384 5.897 1.00 0.19 H new ATOM 0 HG13 ILE A 72 -2.271 -1.595 6.708 1.00 0.19 H new ATOM 0 HG21 ILE A 72 -2.891 1.970 7.725 1.00 0.19 H new ATOM 0 HG22 ILE A 72 -1.319 2.546 7.121 1.00 0.19 H new ATOM 0 HG23 ILE A 72 -2.575 2.023 5.974 1.00 0.19 H new ATOM 0 HD11 ILE A 72 -4.470 -1.398 7.746 1.00 0.21 H new ATOM 0 HD12 ILE A 72 -3.195 -0.899 8.883 1.00 0.21 H new ATOM 0 HD13 ILE A 72 -4.183 0.330 8.059 1.00 0.21 H new ATOM 494 N LYS A 73 -0.216 -2.123 5.451 1.00 0.21 N ATOM 495 CA LYS A 73 0.403 -3.429 5.542 1.00 0.26 C ATOM 496 C LYS A 73 0.714 -3.951 4.159 1.00 0.24 C ATOM 497 O LYS A 73 -0.088 -3.789 3.246 1.00 0.25 O ATOM 498 CB LYS A 73 -0.516 -4.422 6.238 1.00 0.35 C ATOM 499 CG LYS A 73 0.098 -5.803 6.356 1.00 0.41 C ATOM 500 CD LYS A 73 -0.847 -6.803 6.984 1.00 0.59 C ATOM 501 CE LYS A 73 -1.180 -6.444 8.423 1.00 1.22 C ATOM 502 NZ LYS A 73 -2.094 -7.439 9.040 1.00 1.94 N ATOM 0 H LYS A 73 -0.982 -2.068 4.779 1.00 0.21 H new ATOM 0 HA LYS A 73 1.320 -3.322 6.121 1.00 0.26 H new ATOM 0 HB2 LYS A 73 -0.759 -4.050 7.234 1.00 0.35 H new ATOM 0 HB3 LYS A 73 -1.454 -4.491 5.686 1.00 0.35 H new ATOM 0 HG2 LYS A 73 0.389 -6.154 5.366 1.00 0.41 H new ATOM 0 HG3 LYS A 73 1.008 -5.743 6.953 1.00 0.41 H new ATOM 0 HD2 LYS A 73 -1.766 -6.850 6.400 1.00 0.59 H new ATOM 0 HD3 LYS A 73 -0.398 -7.796 6.952 1.00 0.59 H new ATOM 0 HE2 LYS A 73 -0.261 -6.384 9.005 1.00 1.22 H new ATOM 0 HE3 LYS A 73 -1.642 -5.457 8.454 1.00 1.22 H new ATOM 0 HZ1 LYS A 73 -2.299 -7.161 10.021 1.00 1.94 H new ATOM 0 HZ2 LYS A 73 -2.981 -7.478 8.499 1.00 1.94 H new ATOM 0 HZ3 LYS A 73 -1.643 -8.376 9.033 1.00 1.94 H new ATOM 516 N ILE A 74 1.858 -4.586 4.004 1.00 0.28 N ATOM 517 CA ILE A 74 2.187 -5.211 2.739 1.00 0.31 C ATOM 518 C ILE A 74 2.587 -6.659 2.959 1.00 0.38 C ATOM 519 O ILE A 74 3.266 -6.985 3.936 1.00 0.41 O ATOM 520 CB ILE A 74 3.344 -4.526 1.994 1.00 0.35 C ATOM 521 CG1 ILE A 74 3.381 -3.015 2.223 1.00 0.38 C ATOM 522 CG2 ILE A 74 3.218 -4.819 0.507 1.00 0.40 C ATOM 523 CD1 ILE A 74 4.651 -2.379 1.701 1.00 0.44 C ATOM 0 H ILE A 74 2.569 -4.683 4.729 1.00 0.28 H new ATOM 0 HA ILE A 74 1.287 -5.123 2.131 1.00 0.31 H new ATOM 0 HB ILE A 74 4.277 -4.929 2.389 1.00 0.35 H new ATOM 0 HG12 ILE A 74 2.522 -2.556 1.734 1.00 0.38 H new ATOM 0 HG13 ILE A 74 3.288 -2.810 3.290 1.00 0.38 H new ATOM 0 HG21 ILE A 74 4.035 -4.337 -0.029 1.00 0.40 H new ATOM 0 HG22 ILE A 74 3.262 -5.896 0.343 1.00 0.40 H new ATOM 0 HG23 ILE A 74 2.266 -4.435 0.140 1.00 0.40 H new ATOM 0 HD11 ILE A 74 4.625 -1.306 1.890 1.00 0.44 H new ATOM 0 HD12 ILE A 74 5.512 -2.815 2.208 1.00 0.44 H new ATOM 0 HD13 ILE A 74 4.733 -2.557 0.629 1.00 0.44 H new ATOM 535 N THR A 75 2.170 -7.514 2.048 1.00 0.45 N ATOM 536 CA THR A 75 2.534 -8.913 2.079 1.00 0.54 C ATOM 537 C THR A 75 2.976 -9.357 0.690 1.00 0.60 C ATOM 538 O THR A 75 2.908 -8.573 -0.257 1.00 0.71 O ATOM 539 CB THR A 75 1.361 -9.786 2.578 1.00 0.69 C ATOM 540 OG1 THR A 75 0.155 -9.439 1.882 1.00 0.79 O ATOM 541 CG2 THR A 75 1.149 -9.609 4.075 1.00 0.72 C ATOM 0 H THR A 75 1.569 -7.257 1.265 1.00 0.45 H new ATOM 0 HA THR A 75 3.360 -9.040 2.778 1.00 0.54 H new ATOM 0 HB THR A 75 1.610 -10.829 2.380 1.00 0.69 H new ATOM 0 HG1 THR A 75 0.348 -8.742 1.221 1.00 0.79 H new ATOM 0 HG21 THR A 75 0.318 -10.234 4.401 1.00 0.72 H new ATOM 0 HG22 THR A 75 2.054 -9.901 4.608 1.00 0.72 H new ATOM 0 HG23 THR A 75 0.923 -8.564 4.290 1.00 0.72 H new ATOM 549 N ASP A 76 3.439 -10.585 0.562 1.00 0.70 N ATOM 550 CA ASP A 76 3.950 -11.069 -0.715 1.00 0.82 C ATOM 551 C ASP A 76 2.850 -11.090 -1.774 1.00 0.90 C ATOM 552 O ASP A 76 3.050 -10.644 -2.908 1.00 1.08 O ATOM 553 CB ASP A 76 4.539 -12.469 -0.550 1.00 1.00 C ATOM 554 CG ASP A 76 5.396 -12.877 -1.729 1.00 1.46 C ATOM 555 OD1 ASP A 76 6.578 -12.478 -1.767 1.00 2.15 O ATOM 556 OD2 ASP A 76 4.903 -13.603 -2.619 1.00 2.01 O ATOM 0 H ASP A 76 3.474 -11.267 1.320 1.00 0.70 H new ATOM 0 HA ASP A 76 4.732 -10.386 -1.046 1.00 0.82 H new ATOM 0 HB2 ASP A 76 5.138 -12.503 0.360 1.00 1.00 H new ATOM 0 HB3 ASP A 76 3.730 -13.189 -0.426 1.00 1.00 H new ATOM 561 N GLN A 77 1.681 -11.578 -1.382 1.00 0.94 N ATOM 562 CA GLN A 77 0.581 -11.778 -2.315 1.00 1.14 C ATOM 563 C GLN A 77 -0.345 -10.565 -2.414 1.00 1.11 C ATOM 564 O GLN A 77 -1.210 -10.523 -3.289 1.00 1.49 O ATOM 565 CB GLN A 77 -0.224 -13.010 -1.906 1.00 1.36 C ATOM 566 CG GLN A 77 0.541 -14.313 -2.070 1.00 1.89 C ATOM 567 CD GLN A 77 -0.241 -15.513 -1.576 1.00 2.52 C ATOM 568 OE1 GLN A 77 -1.012 -15.418 -0.621 1.00 2.98 O ATOM 569 NE2 GLN A 77 -0.076 -16.640 -2.244 1.00 3.19 N ATOM 0 H GLN A 77 1.470 -11.844 -0.420 1.00 0.94 H new ATOM 0 HA GLN A 77 1.022 -11.923 -3.301 1.00 1.14 H new ATOM 0 HB2 GLN A 77 -0.530 -12.906 -0.865 1.00 1.36 H new ATOM 0 HB3 GLN A 77 -1.135 -13.054 -2.503 1.00 1.36 H new ATOM 0 HG2 GLN A 77 0.790 -14.454 -3.122 1.00 1.89 H new ATOM 0 HG3 GLN A 77 1.483 -14.248 -1.525 1.00 1.89 H new ATOM 0 HE21 GLN A 77 0.573 -16.677 -3.030 1.00 3.19 H new ATOM 0 HE22 GLN A 77 -0.598 -17.474 -1.974 1.00 3.19 H new ATOM 578 N GLY A 78 -0.171 -9.581 -1.540 1.00 0.78 N ATOM 579 CA GLY A 78 -1.039 -8.413 -1.574 1.00 0.78 C ATOM 580 C GLY A 78 -0.714 -7.415 -0.481 1.00 0.72 C ATOM 581 O GLY A 78 0.386 -7.421 0.060 1.00 0.99 O ATOM 0 H GLY A 78 0.546 -9.567 -0.815 1.00 0.78 H new ATOM 0 HA2 GLY A 78 -0.949 -7.926 -2.545 1.00 0.78 H new ATOM 0 HA3 GLY A 78 -2.076 -8.732 -1.473 1.00 0.78 H new ATOM 585 N TYR A 79 -1.672 -6.564 -0.141 1.00 0.43 N ATOM 586 CA TYR A 79 -1.463 -5.562 0.898 1.00 0.36 C ATOM 587 C TYR A 79 -2.749 -5.265 1.636 1.00 0.28 C ATOM 588 O TYR A 79 -3.816 -5.753 1.270 1.00 0.28 O ATOM 589 CB TYR A 79 -0.920 -4.255 0.318 1.00 0.40 C ATOM 590 CG TYR A 79 -1.759 -3.657 -0.790 1.00 1.14 C ATOM 591 CD1 TYR A 79 -3.041 -3.167 -0.577 1.00 2.36 C ATOM 592 CD2 TYR A 79 -1.247 -3.594 -2.056 1.00 1.23 C ATOM 593 CE1 TYR A 79 -3.778 -2.630 -1.615 1.00 3.09 C ATOM 594 CE2 TYR A 79 -1.968 -3.062 -3.106 1.00 1.86 C ATOM 595 CZ TYR A 79 -3.237 -2.581 -2.880 1.00 2.67 C ATOM 596 OH TYR A 79 -3.968 -2.048 -3.916 1.00 3.47 O ATOM 0 H TYR A 79 -2.599 -6.546 -0.567 1.00 0.43 H new ATOM 0 HA TYR A 79 -0.731 -5.979 1.590 1.00 0.36 H new ATOM 0 HB2 TYR A 79 -0.832 -3.525 1.123 1.00 0.40 H new ATOM 0 HB3 TYR A 79 0.086 -4.433 -0.062 1.00 0.40 H new ATOM 0 HD1 TYR A 79 -3.468 -3.206 0.414 1.00 2.36 H new ATOM 0 HD2 TYR A 79 -0.252 -3.971 -2.240 1.00 1.23 H new ATOM 0 HE1 TYR A 79 -4.773 -2.251 -1.435 1.00 3.09 H new ATOM 0 HE2 TYR A 79 -1.540 -3.024 -4.097 1.00 1.86 H new ATOM 0 HH TYR A 79 -4.573 -1.360 -3.569 1.00 3.47 H new ATOM 606 N VAL A 80 -2.642 -4.443 2.666 1.00 0.29 N ATOM 607 CA VAL A 80 -3.804 -3.969 3.376 1.00 0.27 C ATOM 608 C VAL A 80 -3.740 -2.454 3.489 1.00 0.21 C ATOM 609 O VAL A 80 -2.760 -1.906 3.993 1.00 0.19 O ATOM 610 CB VAL A 80 -3.912 -4.580 4.792 1.00 0.28 C ATOM 611 CG1 VAL A 80 -5.319 -4.429 5.348 1.00 0.28 C ATOM 612 CG2 VAL A 80 -3.479 -6.038 4.790 1.00 0.40 C ATOM 0 H VAL A 80 -1.755 -4.092 3.026 1.00 0.29 H new ATOM 0 HA VAL A 80 -4.685 -4.277 2.813 1.00 0.27 H new ATOM 0 HB VAL A 80 -3.235 -4.030 5.446 1.00 0.28 H new ATOM 0 HG11 VAL A 80 -5.365 -4.868 6.345 1.00 0.28 H new ATOM 0 HG12 VAL A 80 -5.576 -3.371 5.405 1.00 0.28 H new ATOM 0 HG13 VAL A 80 -6.026 -4.940 4.694 1.00 0.28 H new ATOM 0 HG21 VAL A 80 -3.564 -6.444 5.798 1.00 0.40 H new ATOM 0 HG22 VAL A 80 -4.118 -6.606 4.114 1.00 0.40 H new ATOM 0 HG23 VAL A 80 -2.444 -6.110 4.456 1.00 0.40 H new ATOM 622 N THR A 81 -4.766 -1.781 3.005 1.00 0.22 N ATOM 623 CA THR A 81 -4.800 -0.329 3.024 1.00 0.22 C ATOM 624 C THR A 81 -5.761 0.178 4.087 1.00 0.22 C ATOM 625 O THR A 81 -6.829 -0.393 4.277 1.00 0.35 O ATOM 626 CB THR A 81 -5.247 0.244 1.664 1.00 0.32 C ATOM 627 OG1 THR A 81 -6.543 -0.260 1.322 1.00 0.36 O ATOM 628 CG2 THR A 81 -4.265 -0.111 0.566 1.00 0.40 C ATOM 0 H THR A 81 -5.590 -2.217 2.592 1.00 0.22 H new ATOM 0 HA THR A 81 -3.786 0.003 3.245 1.00 0.22 H new ATOM 0 HB THR A 81 -5.284 1.329 1.756 1.00 0.32 H new ATOM 0 HG1 THR A 81 -6.447 -1.033 0.727 1.00 0.36 H new ATOM 0 HG21 THR A 81 -4.609 0.308 -0.380 1.00 0.40 H new ATOM 0 HG22 THR A 81 -3.284 0.298 0.809 1.00 0.40 H new ATOM 0 HG23 THR A 81 -4.194 -1.195 0.478 1.00 0.40 H new ATOM 636 N SER A 82 -5.388 1.243 4.772 1.00 0.19 N ATOM 637 CA SER A 82 -6.323 1.940 5.628 1.00 0.20 C ATOM 638 C SER A 82 -6.890 3.098 4.833 1.00 0.24 C ATOM 639 O SER A 82 -6.335 4.196 4.830 1.00 0.29 O ATOM 640 CB SER A 82 -5.648 2.450 6.906 1.00 0.25 C ATOM 641 OG SER A 82 -6.604 2.983 7.811 1.00 1.19 O ATOM 0 H SER A 82 -4.449 1.641 4.751 1.00 0.19 H new ATOM 0 HA SER A 82 -7.113 1.258 5.941 1.00 0.20 H new ATOM 0 HB2 SER A 82 -5.105 1.635 7.384 1.00 0.25 H new ATOM 0 HB3 SER A 82 -4.915 3.216 6.653 1.00 0.25 H new ATOM 0 HG SER A 82 -7.013 2.254 8.322 1.00 1.19 H new ATOM 647 N HIS A 83 -7.981 2.844 4.137 1.00 0.24 N ATOM 648 CA HIS A 83 -8.523 3.830 3.234 1.00 0.30 C ATOM 649 C HIS A 83 -9.983 4.092 3.554 1.00 0.29 C ATOM 650 O HIS A 83 -10.658 3.252 4.154 1.00 0.27 O ATOM 651 CB HIS A 83 -8.318 3.397 1.769 1.00 0.33 C ATOM 652 CG HIS A 83 -9.332 2.433 1.232 1.00 0.32 C ATOM 653 ND1 HIS A 83 -10.076 1.492 1.868 1.00 0.39 N flip ATOM 654 CD2 HIS A 83 -9.728 2.397 -0.100 1.00 0.28 C flip ATOM 655 CE1 HIS A 83 -10.914 0.923 0.945 1.00 0.39 C flip ATOM 656 NE2 HIS A 83 -10.684 1.464 -0.214 1.00 0.33 N flip ATOM 0 H HIS A 83 -8.503 1.969 4.181 1.00 0.24 H new ATOM 0 HA HIS A 83 -7.985 4.769 3.369 1.00 0.30 H new ATOM 0 HB2 HIS A 83 -8.322 4.288 1.141 1.00 0.33 H new ATOM 0 HB3 HIS A 83 -7.330 2.946 1.677 1.00 0.33 H new ATOM 0 HD2 HIS A 83 -9.336 3.010 -0.899 1.00 0.28 H new ATOM 0 HE1 HIS A 83 -11.644 0.153 1.147 1.00 0.39 H new ATOM 0 HE2 HIS A 83 -11.160 1.216 -1.081 1.00 0.33 H new ATOM 664 N GLY A 84 -10.460 5.262 3.171 1.00 0.35 N ATOM 665 CA GLY A 84 -11.815 5.637 3.487 1.00 0.36 C ATOM 666 C GLY A 84 -12.009 5.781 4.975 1.00 0.36 C ATOM 667 O GLY A 84 -11.735 6.834 5.543 1.00 0.42 O ATOM 0 H GLY A 84 -9.931 5.959 2.646 1.00 0.35 H new ATOM 0 HA2 GLY A 84 -12.059 6.578 2.993 1.00 0.36 H new ATOM 0 HA3 GLY A 84 -12.503 4.886 3.099 1.00 0.36 H new ATOM 671 N ASP A 85 -12.482 4.720 5.602 1.00 0.33 N ATOM 672 CA ASP A 85 -12.694 4.711 7.038 1.00 0.36 C ATOM 673 C ASP A 85 -12.161 3.424 7.667 1.00 0.33 C ATOM 674 O ASP A 85 -12.096 3.296 8.890 1.00 0.38 O ATOM 675 CB ASP A 85 -14.189 4.863 7.321 1.00 0.42 C ATOM 676 CG ASP A 85 -14.513 4.919 8.802 1.00 0.89 C ATOM 677 OD1 ASP A 85 -14.264 5.966 9.440 1.00 0.85 O ATOM 678 OD2 ASP A 85 -15.001 3.907 9.345 1.00 1.59 O ATOM 0 H ASP A 85 -12.728 3.847 5.135 1.00 0.33 H new ATOM 0 HA ASP A 85 -12.148 5.544 7.482 1.00 0.36 H new ATOM 0 HB2 ASP A 85 -14.553 5.772 6.841 1.00 0.42 H new ATOM 0 HB3 ASP A 85 -14.725 4.028 6.870 1.00 0.42 H new ATOM 683 N HIS A 86 -11.752 2.475 6.834 1.00 0.29 N ATOM 684 CA HIS A 86 -11.469 1.126 7.313 1.00 0.27 C ATOM 685 C HIS A 86 -10.168 0.565 6.769 1.00 0.23 C ATOM 686 O HIS A 86 -9.450 1.220 6.013 1.00 0.21 O ATOM 687 CB HIS A 86 -12.622 0.186 6.938 1.00 0.29 C ATOM 688 CG HIS A 86 -12.960 0.169 5.472 1.00 0.27 C ATOM 689 ND1 HIS A 86 -14.242 0.380 4.975 1.00 0.30 N ATOM 690 CD2 HIS A 86 -12.170 -0.078 4.385 1.00 0.26 C ATOM 691 CE1 HIS A 86 -14.194 0.248 3.639 1.00 0.30 C ATOM 692 NE2 HIS A 86 -12.977 -0.033 3.261 1.00 0.28 N ATOM 0 H HIS A 86 -11.610 2.611 5.833 1.00 0.29 H new ATOM 0 HA HIS A 86 -11.366 1.193 8.396 1.00 0.27 H new ATOM 0 HB2 HIS A 86 -12.365 -0.826 7.251 1.00 0.29 H new ATOM 0 HB3 HIS A 86 -13.510 0.478 7.499 1.00 0.29 H new ATOM 0 HD1 HIS A 86 -15.072 0.597 5.527 1.00 0.30 H new ATOM 0 HD2 HIS A 86 -11.108 -0.273 4.400 1.00 0.26 H new ATOM 0 HE1 HIS A 86 -15.039 0.358 2.975 1.00 0.30 H new ATOM 700 N TYR A 87 -9.875 -0.660 7.183 1.00 0.24 N ATOM 701 CA TYR A 87 -8.764 -1.411 6.638 1.00 0.22 C ATOM 702 C TYR A 87 -9.293 -2.331 5.554 1.00 0.22 C ATOM 703 O TYR A 87 -10.267 -3.054 5.766 1.00 0.26 O ATOM 704 CB TYR A 87 -8.070 -2.244 7.722 1.00 0.25 C ATOM 705 CG TYR A 87 -7.624 -1.445 8.922 1.00 0.29 C ATOM 706 CD1 TYR A 87 -7.134 -0.164 8.769 1.00 0.27 C ATOM 707 CD2 TYR A 87 -7.692 -1.975 10.203 1.00 0.38 C ATOM 708 CE1 TYR A 87 -6.728 0.577 9.850 1.00 0.32 C ATOM 709 CE2 TYR A 87 -7.285 -1.239 11.299 1.00 0.43 C ATOM 710 CZ TYR A 87 -6.804 0.039 11.116 1.00 0.40 C ATOM 711 OH TYR A 87 -6.392 0.776 12.203 1.00 0.46 O ATOM 0 H TYR A 87 -10.401 -1.155 7.903 1.00 0.24 H new ATOM 0 HA TYR A 87 -8.031 -0.714 6.231 1.00 0.22 H new ATOM 0 HB2 TYR A 87 -8.750 -3.028 8.054 1.00 0.25 H new ATOM 0 HB3 TYR A 87 -7.202 -2.738 7.285 1.00 0.25 H new ATOM 0 HD1 TYR A 87 -7.069 0.263 7.779 1.00 0.27 H new ATOM 0 HD2 TYR A 87 -8.069 -2.977 10.345 1.00 0.38 H new ATOM 0 HE1 TYR A 87 -6.350 1.579 9.709 1.00 0.32 H new ATOM 0 HE2 TYR A 87 -7.343 -1.662 12.291 1.00 0.43 H new ATOM 0 HH TYR A 87 -6.514 0.249 13.020 1.00 0.46 H new ATOM 721 N HIS A 88 -8.662 -2.305 4.405 1.00 0.21 N ATOM 722 CA HIS A 88 -9.110 -3.104 3.286 1.00 0.25 C ATOM 723 C HIS A 88 -7.947 -3.937 2.753 1.00 0.26 C ATOM 724 O HIS A 88 -6.880 -3.404 2.448 1.00 0.28 O ATOM 725 CB HIS A 88 -9.693 -2.194 2.197 1.00 0.29 C ATOM 726 CG HIS A 88 -10.752 -2.855 1.373 1.00 0.35 C ATOM 727 ND1 HIS A 88 -11.914 -2.228 1.021 1.00 0.38 N ATOM 728 CD2 HIS A 88 -10.790 -4.109 0.850 1.00 0.43 C ATOM 729 CE1 HIS A 88 -12.635 -3.063 0.320 1.00 0.47 C ATOM 730 NE2 HIS A 88 -11.996 -4.235 0.181 1.00 0.51 N ATOM 0 H HIS A 88 -7.835 -1.738 4.218 1.00 0.21 H new ATOM 0 HA HIS A 88 -9.896 -3.786 3.610 1.00 0.25 H new ATOM 0 HB2 HIS A 88 -10.111 -1.302 2.665 1.00 0.29 H new ATOM 0 HB3 HIS A 88 -8.888 -1.862 1.542 1.00 0.29 H new ATOM 0 HD2 HIS A 88 -10.024 -4.865 0.939 1.00 0.43 H new ATOM 0 HE1 HIS A 88 -13.609 -2.841 -0.090 1.00 0.47 H new ATOM 0 HE2 HIS A 88 -12.333 -5.058 -0.319 1.00 0.51 H new ATOM 738 N TYR A 89 -8.154 -5.244 2.679 1.00 0.28 N ATOM 739 CA TYR A 89 -7.109 -6.176 2.270 1.00 0.31 C ATOM 740 C TYR A 89 -7.256 -6.499 0.780 1.00 0.36 C ATOM 741 O TYR A 89 -8.338 -6.863 0.325 1.00 0.44 O ATOM 742 CB TYR A 89 -7.235 -7.456 3.112 1.00 0.45 C ATOM 743 CG TYR A 89 -5.961 -8.264 3.271 1.00 0.45 C ATOM 744 CD1 TYR A 89 -5.045 -8.388 2.239 1.00 0.45 C ATOM 745 CD2 TYR A 89 -5.694 -8.927 4.461 1.00 0.59 C ATOM 746 CE1 TYR A 89 -3.903 -9.142 2.382 1.00 0.50 C ATOM 747 CE2 TYR A 89 -4.548 -9.681 4.618 1.00 0.62 C ATOM 748 CZ TYR A 89 -3.653 -9.788 3.573 1.00 0.53 C ATOM 749 OH TYR A 89 -2.511 -10.544 3.719 1.00 0.60 O ATOM 0 H TYR A 89 -9.046 -5.688 2.899 1.00 0.28 H new ATOM 0 HA TYR A 89 -6.127 -5.731 2.429 1.00 0.31 H new ATOM 0 HB2 TYR A 89 -7.597 -7.183 4.103 1.00 0.45 H new ATOM 0 HB3 TYR A 89 -7.994 -8.094 2.660 1.00 0.45 H new ATOM 0 HD1 TYR A 89 -5.231 -7.882 1.303 1.00 0.45 H new ATOM 0 HD2 TYR A 89 -6.395 -8.852 5.279 1.00 0.59 H new ATOM 0 HE1 TYR A 89 -3.204 -9.227 1.563 1.00 0.50 H new ATOM 0 HE2 TYR A 89 -4.353 -10.184 5.553 1.00 0.62 H new ATOM 0 HH TYR A 89 -2.487 -10.930 4.619 1.00 0.60 H new ATOM 759 N TYR A 90 -6.177 -6.353 0.018 1.00 0.45 N ATOM 760 CA TYR A 90 -6.219 -6.624 -1.418 1.00 0.69 C ATOM 761 C TYR A 90 -5.203 -7.700 -1.785 1.00 0.55 C ATOM 762 O TYR A 90 -4.328 -8.038 -0.987 1.00 0.47 O ATOM 763 CB TYR A 90 -5.906 -5.383 -2.262 1.00 1.04 C ATOM 764 CG TYR A 90 -6.720 -4.136 -1.981 1.00 0.95 C ATOM 765 CD1 TYR A 90 -6.926 -3.723 -0.672 1.00 1.32 C ATOM 766 CD2 TYR A 90 -7.314 -3.403 -2.995 1.00 1.70 C ATOM 767 CE1 TYR A 90 -7.688 -2.611 -0.389 1.00 2.07 C ATOM 768 CE2 TYR A 90 -8.079 -2.294 -2.719 1.00 2.40 C ATOM 769 CZ TYR A 90 -8.157 -1.809 -1.514 1.00 2.47 C ATOM 770 OH TYR A 90 -9.027 -0.794 -1.145 1.00 3.42 O ATOM 0 H TYR A 90 -5.267 -6.051 0.366 1.00 0.45 H new ATOM 0 HA TYR A 90 -7.236 -6.951 -1.634 1.00 0.69 H new ATOM 0 HB2 TYR A 90 -4.853 -5.138 -2.126 1.00 1.04 H new ATOM 0 HB3 TYR A 90 -6.039 -5.645 -3.312 1.00 1.04 H new ATOM 0 HD1 TYR A 90 -6.482 -4.283 0.138 1.00 1.32 H new ATOM 0 HD2 TYR A 90 -7.174 -3.708 -4.022 1.00 1.70 H new ATOM 0 HE1 TYR A 90 -7.930 -2.342 0.629 1.00 2.07 H new ATOM 0 HE2 TYR A 90 -8.626 -1.816 -3.518 1.00 2.40 H new ATOM 0 HH TYR A 90 -8.572 -0.180 -0.532 1.00 3.42 H new ATOM 780 N ASN A 91 -5.320 -8.217 -3.000 1.00 0.67 N ATOM 781 CA ASN A 91 -4.388 -9.205 -3.522 1.00 0.59 C ATOM 782 C ASN A 91 -3.819 -8.724 -4.852 1.00 0.49 C ATOM 783 O ASN A 91 -4.446 -7.924 -5.548 1.00 0.69 O ATOM 784 CB ASN A 91 -5.105 -10.540 -3.714 1.00 0.85 C ATOM 785 CG ASN A 91 -4.170 -11.694 -4.030 1.00 1.27 C ATOM 786 OD1 ASN A 91 -3.908 -11.998 -5.194 1.00 1.58 O ATOM 787 ND2 ASN A 91 -3.662 -12.344 -2.997 1.00 2.04 N ATOM 0 H ASN A 91 -6.063 -7.963 -3.651 1.00 0.67 H new ATOM 0 HA ASN A 91 -3.571 -9.339 -2.813 1.00 0.59 H new ATOM 0 HB2 ASN A 91 -5.665 -10.775 -2.809 1.00 0.85 H new ATOM 0 HB3 ASN A 91 -5.831 -10.440 -4.521 1.00 0.85 H new ATOM 0 HD21 ASN A 91 -3.028 -13.128 -3.150 1.00 2.04 H new ATOM 0 HD22 ASN A 91 -3.904 -12.061 -2.047 1.00 2.04 H new ATOM 794 N GLY A 92 -2.637 -9.201 -5.194 1.00 0.40 N ATOM 795 CA GLY A 92 -2.009 -8.814 -6.440 1.00 0.41 C ATOM 796 C GLY A 92 -0.833 -7.885 -6.221 1.00 0.33 C ATOM 797 O GLY A 92 -0.157 -7.962 -5.192 1.00 0.47 O ATOM 0 H GLY A 92 -2.095 -9.854 -4.628 1.00 0.40 H new ATOM 0 HA2 GLY A 92 -1.672 -9.706 -6.968 1.00 0.41 H new ATOM 0 HA3 GLY A 92 -2.744 -8.324 -7.079 1.00 0.41 H new ATOM 801 N LYS A 93 -0.584 -7.012 -7.184 1.00 0.40 N ATOM 802 CA LYS A 93 0.496 -6.043 -7.078 1.00 0.35 C ATOM 803 C LYS A 93 -0.040 -4.709 -6.581 1.00 0.35 C ATOM 804 O LYS A 93 -1.248 -4.469 -6.590 1.00 0.47 O ATOM 805 CB LYS A 93 1.185 -5.855 -8.433 1.00 0.36 C ATOM 806 CG LYS A 93 1.998 -7.047 -8.878 1.00 0.39 C ATOM 807 CD LYS A 93 3.473 -6.814 -8.608 1.00 0.63 C ATOM 808 CE LYS A 93 4.257 -8.093 -8.713 1.00 1.42 C ATOM 809 NZ LYS A 93 4.147 -8.721 -10.057 1.00 2.03 N ATOM 0 H LYS A 93 -1.117 -6.954 -8.051 1.00 0.40 H new ATOM 0 HA LYS A 93 1.227 -6.421 -6.363 1.00 0.35 H new ATOM 0 HB2 LYS A 93 0.428 -5.642 -9.188 1.00 0.36 H new ATOM 0 HB3 LYS A 93 1.837 -4.983 -8.380 1.00 0.36 H new ATOM 0 HG2 LYS A 93 1.662 -7.941 -8.352 1.00 0.39 H new ATOM 0 HG3 LYS A 93 1.841 -7.226 -9.942 1.00 0.39 H new ATOM 0 HD2 LYS A 93 3.864 -6.086 -9.319 1.00 0.63 H new ATOM 0 HD3 LYS A 93 3.600 -6.388 -7.613 1.00 0.63 H new ATOM 0 HE2 LYS A 93 5.306 -7.891 -8.495 1.00 1.42 H new ATOM 0 HE3 LYS A 93 3.904 -8.795 -7.958 1.00 1.42 H new ATOM 0 HZ1 LYS A 93 4.784 -9.542 -10.110 1.00 2.03 H new ATOM 0 HZ2 LYS A 93 3.167 -9.032 -10.216 1.00 2.03 H new ATOM 0 HZ3 LYS A 93 4.413 -8.029 -10.786 1.00 2.03 H new ATOM 823 N VAL A 94 0.863 -3.853 -6.132 1.00 0.31 N ATOM 824 CA VAL A 94 0.502 -2.524 -5.672 1.00 0.29 C ATOM 825 C VAL A 94 0.393 -1.589 -6.867 1.00 0.28 C ATOM 826 O VAL A 94 1.278 -1.578 -7.721 1.00 0.30 O ATOM 827 CB VAL A 94 1.566 -1.972 -4.698 1.00 0.29 C ATOM 828 CG1 VAL A 94 1.052 -0.733 -3.981 1.00 0.32 C ATOM 829 CG2 VAL A 94 1.986 -3.037 -3.699 1.00 0.41 C ATOM 0 H VAL A 94 1.861 -4.059 -6.077 1.00 0.31 H new ATOM 0 HA VAL A 94 -0.454 -2.587 -5.151 1.00 0.29 H new ATOM 0 HB VAL A 94 2.443 -1.687 -5.280 1.00 0.29 H new ATOM 0 HG11 VAL A 94 1.818 -0.362 -3.300 1.00 0.32 H new ATOM 0 HG12 VAL A 94 0.813 0.038 -4.713 1.00 0.32 H new ATOM 0 HG13 VAL A 94 0.156 -0.986 -3.415 1.00 0.32 H new ATOM 0 HG21 VAL A 94 2.736 -2.626 -3.023 1.00 0.41 H new ATOM 0 HG22 VAL A 94 1.118 -3.360 -3.125 1.00 0.41 H new ATOM 0 HG23 VAL A 94 2.406 -3.890 -4.232 1.00 0.41 H new ATOM 839 N PRO A 95 -0.693 -0.807 -6.960 1.00 0.27 N ATOM 840 CA PRO A 95 -0.871 0.140 -8.053 1.00 0.28 C ATOM 841 C PRO A 95 0.187 1.233 -8.013 1.00 0.25 C ATOM 842 O PRO A 95 0.747 1.543 -6.964 1.00 0.27 O ATOM 843 CB PRO A 95 -2.264 0.722 -7.833 1.00 0.33 C ATOM 844 CG PRO A 95 -2.612 0.429 -6.421 1.00 0.33 C ATOM 845 CD PRO A 95 -1.817 -0.783 -6.012 1.00 0.30 C ATOM 0 HA PRO A 95 -0.770 -0.336 -9.028 1.00 0.28 H new ATOM 0 HB2 PRO A 95 -2.273 1.795 -8.022 1.00 0.33 H new ATOM 0 HB3 PRO A 95 -2.987 0.273 -8.514 1.00 0.33 H new ATOM 0 HG2 PRO A 95 -2.375 1.279 -5.781 1.00 0.33 H new ATOM 0 HG3 PRO A 95 -3.681 0.241 -6.319 1.00 0.33 H new ATOM 0 HD2 PRO A 95 -1.469 -0.703 -4.982 1.00 0.30 H new ATOM 0 HD3 PRO A 95 -2.414 -1.693 -6.077 1.00 0.30 H new ATOM 853 N TYR A 96 0.446 1.806 -9.172 1.00 0.26 N ATOM 854 CA TYR A 96 1.512 2.781 -9.344 1.00 0.27 C ATOM 855 C TYR A 96 1.223 4.048 -8.541 1.00 0.26 C ATOM 856 O TYR A 96 2.132 4.661 -7.989 1.00 0.30 O ATOM 857 CB TYR A 96 1.656 3.102 -10.839 1.00 0.33 C ATOM 858 CG TYR A 96 3.000 3.667 -11.246 1.00 0.38 C ATOM 859 CD1 TYR A 96 3.515 4.798 -10.638 1.00 0.30 C ATOM 860 CD2 TYR A 96 3.743 3.074 -12.258 1.00 0.61 C ATOM 861 CE1 TYR A 96 4.726 5.328 -11.017 1.00 0.35 C ATOM 862 CE2 TYR A 96 4.963 3.595 -12.644 1.00 0.68 C ATOM 863 CZ TYR A 96 5.450 4.723 -12.020 1.00 0.51 C ATOM 864 OH TYR A 96 6.660 5.252 -12.402 1.00 0.59 O ATOM 0 H TYR A 96 -0.077 1.610 -10.025 1.00 0.26 H new ATOM 0 HA TYR A 96 2.448 2.365 -8.972 1.00 0.27 H new ATOM 0 HB2 TYR A 96 1.474 2.191 -11.410 1.00 0.33 H new ATOM 0 HB3 TYR A 96 0.880 3.814 -11.119 1.00 0.33 H new ATOM 0 HD1 TYR A 96 2.954 5.275 -9.848 1.00 0.30 H new ATOM 0 HD2 TYR A 96 3.361 2.192 -12.751 1.00 0.61 H new ATOM 0 HE1 TYR A 96 5.107 6.214 -10.531 1.00 0.35 H new ATOM 0 HE2 TYR A 96 5.532 3.121 -13.430 1.00 0.68 H new ATOM 0 HH TYR A 96 7.043 4.707 -13.120 1.00 0.59 H new ATOM 874 N ASP A 97 -0.040 4.429 -8.459 1.00 0.28 N ATOM 875 CA ASP A 97 -0.409 5.646 -7.743 1.00 0.33 C ATOM 876 C ASP A 97 -0.844 5.337 -6.312 1.00 0.32 C ATOM 877 O ASP A 97 -1.365 6.212 -5.613 1.00 0.38 O ATOM 878 CB ASP A 97 -1.530 6.393 -8.475 1.00 0.43 C ATOM 879 CG ASP A 97 -2.887 5.734 -8.317 1.00 1.07 C ATOM 880 OD1 ASP A 97 -3.117 4.681 -8.946 1.00 1.82 O ATOM 881 OD2 ASP A 97 -3.727 6.261 -7.556 1.00 1.07 O ATOM 0 H ASP A 97 -0.822 3.922 -8.873 1.00 0.28 H new ATOM 0 HA ASP A 97 0.475 6.282 -7.707 1.00 0.33 H new ATOM 0 HB2 ASP A 97 -1.583 7.415 -8.099 1.00 0.43 H new ATOM 0 HB3 ASP A 97 -1.285 6.456 -9.535 1.00 0.43 H new ATOM 886 N ALA A 98 -0.622 4.098 -5.877 1.00 0.27 N ATOM 887 CA ALA A 98 -0.985 3.677 -4.526 1.00 0.27 C ATOM 888 C ALA A 98 -0.314 4.533 -3.470 1.00 0.26 C ATOM 889 O ALA A 98 0.833 4.958 -3.625 1.00 0.40 O ATOM 890 CB ALA A 98 -0.623 2.223 -4.293 1.00 0.30 C ATOM 0 H ALA A 98 -0.191 3.367 -6.443 1.00 0.27 H new ATOM 0 HA ALA A 98 -2.065 3.800 -4.439 1.00 0.27 H new ATOM 0 HB1 ALA A 98 -0.904 1.936 -3.280 1.00 0.30 H new ATOM 0 HB2 ALA A 98 -1.155 1.596 -5.009 1.00 0.30 H new ATOM 0 HB3 ALA A 98 0.451 2.090 -4.423 1.00 0.30 H new ATOM 896 N ILE A 99 -1.038 4.774 -2.395 1.00 0.18 N ATOM 897 CA ILE A 99 -0.526 5.550 -1.288 1.00 0.17 C ATOM 898 C ILE A 99 -0.066 4.610 -0.188 1.00 0.16 C ATOM 899 O ILE A 99 -0.679 3.572 0.037 1.00 0.16 O ATOM 900 CB ILE A 99 -1.600 6.506 -0.746 1.00 0.21 C ATOM 901 CG1 ILE A 99 -2.241 7.274 -1.901 1.00 0.21 C ATOM 902 CG2 ILE A 99 -0.995 7.469 0.263 1.00 0.26 C ATOM 903 CD1 ILE A 99 -1.290 8.196 -2.632 1.00 0.29 C ATOM 0 H ILE A 99 -1.993 4.439 -2.266 1.00 0.18 H new ATOM 0 HA ILE A 99 0.315 6.149 -1.637 1.00 0.17 H new ATOM 0 HB ILE A 99 -2.369 5.922 -0.241 1.00 0.21 H new ATOM 0 HG12 ILE A 99 -2.656 6.560 -2.612 1.00 0.21 H new ATOM 0 HG13 ILE A 99 -3.074 7.861 -1.515 1.00 0.21 H new ATOM 0 HG21 ILE A 99 -1.770 8.139 0.637 1.00 0.26 H new ATOM 0 HG22 ILE A 99 -0.570 6.906 1.094 1.00 0.26 H new ATOM 0 HG23 ILE A 99 -0.211 8.054 -0.217 1.00 0.26 H new ATOM 0 HD11 ILE A 99 -1.822 8.704 -3.437 1.00 0.29 H new ATOM 0 HD12 ILE A 99 -0.893 8.935 -1.936 1.00 0.29 H new ATOM 0 HD13 ILE A 99 -0.469 7.614 -3.050 1.00 0.29 H new ATOM 915 N ILE A 100 1.018 4.952 0.478 1.00 0.17 N ATOM 916 CA ILE A 100 1.585 4.093 1.496 1.00 0.18 C ATOM 917 C ILE A 100 1.604 4.790 2.850 1.00 0.18 C ATOM 918 O ILE A 100 1.671 6.018 2.935 1.00 0.20 O ATOM 919 CB ILE A 100 3.029 3.694 1.128 1.00 0.20 C ATOM 920 CG1 ILE A 100 3.098 3.190 -0.319 1.00 0.21 C ATOM 921 CG2 ILE A 100 3.546 2.636 2.091 1.00 0.22 C ATOM 922 CD1 ILE A 100 2.346 1.898 -0.563 1.00 0.23 C ATOM 0 H ILE A 100 1.526 5.824 0.331 1.00 0.17 H new ATOM 0 HA ILE A 100 0.959 3.203 1.555 1.00 0.18 H new ATOM 0 HB ILE A 100 3.664 4.576 1.211 1.00 0.20 H new ATOM 0 HG12 ILE A 100 2.699 3.960 -0.979 1.00 0.21 H new ATOM 0 HG13 ILE A 100 4.143 3.046 -0.592 1.00 0.21 H new ATOM 0 HG21 ILE A 100 4.566 2.364 1.819 1.00 0.22 H new ATOM 0 HG22 ILE A 100 3.534 3.032 3.107 1.00 0.22 H new ATOM 0 HG23 ILE A 100 2.909 1.753 2.038 1.00 0.22 H new ATOM 0 HD11 ILE A 100 2.445 1.611 -1.610 1.00 0.23 H new ATOM 0 HD12 ILE A 100 2.759 1.112 0.069 1.00 0.23 H new ATOM 0 HD13 ILE A 100 1.292 2.040 -0.324 1.00 0.23 H new ATOM 934 N SER A 101 1.516 3.993 3.901 1.00 0.20 N ATOM 935 CA SER A 101 1.708 4.477 5.252 1.00 0.20 C ATOM 936 C SER A 101 3.187 4.728 5.499 1.00 0.20 C ATOM 937 O SER A 101 4.044 3.955 5.059 1.00 0.23 O ATOM 938 CB SER A 101 1.185 3.447 6.252 1.00 0.22 C ATOM 939 OG SER A 101 1.549 3.792 7.577 1.00 0.89 O ATOM 0 H SER A 101 1.310 2.996 3.840 1.00 0.20 H new ATOM 0 HA SER A 101 1.158 5.409 5.380 1.00 0.20 H new ATOM 0 HB2 SER A 101 0.100 3.380 6.176 1.00 0.22 H new ATOM 0 HB3 SER A 101 1.583 2.463 6.007 1.00 0.22 H new ATOM 0 HG SER A 101 1.190 3.125 8.199 1.00 0.89 H new ATOM 945 N GLU A 102 3.479 5.806 6.216 1.00 0.20 N ATOM 946 CA GLU A 102 4.852 6.176 6.522 1.00 0.21 C ATOM 947 C GLU A 102 5.512 5.122 7.404 1.00 0.24 C ATOM 948 O GLU A 102 6.736 5.071 7.518 1.00 0.29 O ATOM 949 CB GLU A 102 4.889 7.558 7.182 1.00 0.25 C ATOM 950 CG GLU A 102 4.382 7.599 8.620 1.00 0.31 C ATOM 951 CD GLU A 102 5.410 7.165 9.647 1.00 0.94 C ATOM 952 OE1 GLU A 102 6.561 7.640 9.585 1.00 1.22 O ATOM 953 OE2 GLU A 102 5.063 6.362 10.535 1.00 1.71 O ATOM 0 H GLU A 102 2.778 6.441 6.597 1.00 0.20 H new ATOM 0 HA GLU A 102 5.419 6.227 5.592 1.00 0.21 H new ATOM 0 HB2 GLU A 102 5.915 7.925 7.164 1.00 0.25 H new ATOM 0 HB3 GLU A 102 4.293 8.246 6.583 1.00 0.25 H new ATOM 0 HG2 GLU A 102 4.057 8.613 8.852 1.00 0.31 H new ATOM 0 HG3 GLU A 102 3.505 6.957 8.704 1.00 0.31 H new ATOM 960 N GLU A 103 4.689 4.278 8.019 1.00 0.27 N ATOM 961 CA GLU A 103 5.176 3.197 8.866 1.00 0.34 C ATOM 962 C GLU A 103 6.017 2.218 8.055 1.00 0.31 C ATOM 963 O GLU A 103 6.894 1.542 8.591 1.00 0.41 O ATOM 964 CB GLU A 103 4.008 2.443 9.490 1.00 0.43 C ATOM 965 CG GLU A 103 3.008 3.321 10.209 1.00 0.67 C ATOM 966 CD GLU A 103 1.794 2.549 10.673 1.00 1.15 C ATOM 967 OE1 GLU A 103 0.873 2.340 9.852 1.00 1.42 O ATOM 968 OE2 GLU A 103 1.747 2.149 11.855 1.00 1.48 O ATOM 0 H GLU A 103 3.673 4.324 7.945 1.00 0.27 H new ATOM 0 HA GLU A 103 5.789 3.638 9.652 1.00 0.34 H new ATOM 0 HB2 GLU A 103 3.490 1.889 8.707 1.00 0.43 H new ATOM 0 HB3 GLU A 103 4.400 1.709 10.194 1.00 0.43 H new ATOM 0 HG2 GLU A 103 3.490 3.787 11.069 1.00 0.67 H new ATOM 0 HG3 GLU A 103 2.692 4.126 9.546 1.00 0.67 H new ATOM 975 N LEU A 104 5.754 2.170 6.755 1.00 0.23 N ATOM 976 CA LEU A 104 6.392 1.198 5.879 1.00 0.25 C ATOM 977 C LEU A 104 7.528 1.825 5.079 1.00 0.27 C ATOM 978 O LEU A 104 8.100 1.179 4.200 1.00 0.29 O ATOM 979 CB LEU A 104 5.361 0.592 4.926 1.00 0.27 C ATOM 980 CG LEU A 104 4.253 -0.220 5.592 1.00 0.28 C ATOM 981 CD1 LEU A 104 3.159 -0.540 4.589 1.00 0.33 C ATOM 982 CD2 LEU A 104 4.817 -1.503 6.176 1.00 0.30 C ATOM 0 H LEU A 104 5.101 2.796 6.284 1.00 0.23 H new ATOM 0 HA LEU A 104 6.814 0.413 6.507 1.00 0.25 H new ATOM 0 HB2 LEU A 104 4.903 1.398 4.353 1.00 0.27 H new ATOM 0 HB3 LEU A 104 5.881 -0.050 4.215 1.00 0.27 H new ATOM 0 HG LEU A 104 3.826 0.374 6.400 1.00 0.28 H new ATOM 0 HD11 LEU A 104 2.376 -1.119 5.078 1.00 0.33 H new ATOM 0 HD12 LEU A 104 2.737 0.388 4.203 1.00 0.33 H new ATOM 0 HD13 LEU A 104 3.578 -1.118 3.766 1.00 0.33 H new ATOM 0 HD21 LEU A 104 4.015 -2.071 6.648 1.00 0.30 H new ATOM 0 HD22 LEU A 104 5.265 -2.099 5.381 1.00 0.30 H new ATOM 0 HD23 LEU A 104 5.576 -1.261 6.920 1.00 0.30 H new ATOM 994 N LEU A 105 7.848 3.082 5.373 1.00 0.43 N ATOM 995 CA LEU A 105 8.937 3.762 4.709 1.00 0.54 C ATOM 996 C LEU A 105 10.246 3.027 4.893 1.00 0.46 C ATOM 997 O LEU A 105 10.544 2.506 5.968 1.00 0.53 O ATOM 998 CB LEU A 105 9.080 5.179 5.241 1.00 0.88 C ATOM 999 CG LEU A 105 8.131 6.215 4.661 1.00 0.30 C ATOM 1000 CD1 LEU A 105 8.930 7.215 3.866 1.00 1.01 C ATOM 1001 CD2 LEU A 105 7.109 5.568 3.768 1.00 1.09 C ATOM 0 H LEU A 105 7.362 3.645 6.071 1.00 0.43 H new ATOM 0 HA LEU A 105 8.701 3.790 3.645 1.00 0.54 H new ATOM 0 HB2 LEU A 105 8.941 5.154 6.322 1.00 0.88 H new ATOM 0 HB3 LEU A 105 10.102 5.511 5.059 1.00 0.88 H new ATOM 0 HG LEU A 105 7.607 6.710 5.478 1.00 0.30 H new ATOM 0 HD11 LEU A 105 8.259 7.964 3.445 1.00 1.01 H new ATOM 0 HD12 LEU A 105 9.655 7.703 4.518 1.00 1.01 H new ATOM 0 HD13 LEU A 105 9.455 6.703 3.059 1.00 1.01 H new ATOM 0 HD21 LEU A 105 6.442 6.331 3.366 1.00 1.09 H new ATOM 0 HD22 LEU A 105 7.614 5.058 2.947 1.00 1.09 H new ATOM 0 HD23 LEU A 105 6.529 4.846 4.342 1.00 1.09 H new ATOM 1013 N MET A 106 11.017 2.993 3.832 1.00 0.41 N ATOM 1014 CA MET A 106 12.314 2.360 3.859 1.00 0.45 C ATOM 1015 C MET A 106 13.416 3.403 3.939 1.00 0.92 C ATOM 1016 O MET A 106 13.711 4.087 2.955 1.00 1.28 O ATOM 1017 CB MET A 106 12.525 1.500 2.616 1.00 0.27 C ATOM 1018 CG MET A 106 13.948 0.992 2.492 1.00 0.30 C ATOM 1019 SD MET A 106 14.441 -0.052 3.872 1.00 1.05 S ATOM 1020 CE MET A 106 14.489 -1.647 3.071 1.00 0.50 C ATOM 0 H MET A 106 10.765 3.400 2.931 1.00 0.41 H new ATOM 0 HA MET A 106 12.354 1.724 4.743 1.00 0.45 H new ATOM 0 HB2 MET A 106 11.842 0.651 2.646 1.00 0.27 H new ATOM 0 HB3 MET A 106 12.272 2.082 1.729 1.00 0.27 H new ATOM 0 HG2 MET A 106 14.048 0.430 1.564 1.00 0.30 H new ATOM 0 HG3 MET A 106 14.627 1.842 2.425 1.00 0.30 H new ATOM 0 HE1 MET A 106 14.461 -2.434 3.825 1.00 0.50 H new ATOM 0 HE2 MET A 106 13.629 -1.748 2.409 1.00 0.50 H new ATOM 0 HE3 MET A 106 15.407 -1.735 2.489 1.00 0.50 H new ATOM 1092 N TYR A 111 20.774 0.472 3.357 1.00 0.95 N ATOM 1093 CA TYR A 111 19.810 0.186 2.298 1.00 0.70 C ATOM 1094 C TYR A 111 20.176 0.823 0.982 1.00 0.60 C ATOM 1095 O TYR A 111 20.536 2.000 0.913 1.00 0.80 O ATOM 1096 CB TYR A 111 18.410 0.654 2.688 1.00 0.70 C ATOM 1097 CG TYR A 111 17.447 0.781 1.529 1.00 0.76 C ATOM 1098 CD1 TYR A 111 17.189 -0.287 0.682 1.00 0.94 C ATOM 1099 CD2 TYR A 111 16.823 1.980 1.268 1.00 0.89 C ATOM 1100 CE1 TYR A 111 16.321 -0.151 -0.386 1.00 1.18 C ATOM 1101 CE2 TYR A 111 15.965 2.128 0.203 1.00 1.12 C ATOM 1102 CZ TYR A 111 15.651 0.960 -0.573 1.00 1.23 C ATOM 1103 OH TYR A 111 14.865 1.238 -1.673 1.00 1.57 O ATOM 0 HA TYR A 111 19.826 -0.897 2.172 1.00 0.70 H new ATOM 0 HB2 TYR A 111 17.995 -0.046 3.414 1.00 0.70 H new ATOM 0 HB3 TYR A 111 18.489 1.620 3.186 1.00 0.70 H new ATOM 0 HD1 TYR A 111 17.672 -1.237 0.859 1.00 0.94 H new ATOM 0 HD2 TYR A 111 17.012 2.824 1.915 1.00 0.89 H new ATOM 0 HE1 TYR A 111 16.193 -0.972 -1.076 1.00 1.18 H new ATOM 0 HE2 TYR A 111 15.541 3.091 -0.042 1.00 1.12 H new ATOM 0 HH TYR A 111 14.915 2.195 -1.877 1.00 1.57 H new ATOM 1113 N GLN A 112 20.074 0.017 -0.056 1.00 0.53 N ATOM 1114 CA GLN A 112 20.043 0.508 -1.401 1.00 0.55 C ATOM 1115 C GLN A 112 19.046 -0.282 -2.231 1.00 0.45 C ATOM 1116 O GLN A 112 18.978 -1.509 -2.130 1.00 0.47 O ATOM 1117 CB GLN A 112 21.427 0.456 -2.017 1.00 0.70 C ATOM 1118 CG GLN A 112 22.340 1.559 -1.535 1.00 1.30 C ATOM 1119 CD GLN A 112 23.600 1.683 -2.365 1.00 1.42 C ATOM 1120 OE1 GLN A 112 23.636 2.415 -3.354 1.00 1.64 O ATOM 1121 NE2 GLN A 112 24.643 0.978 -1.964 1.00 2.05 N ATOM 0 H GLN A 112 20.011 -0.998 0.020 1.00 0.53 H new ATOM 0 HA GLN A 112 19.720 1.549 -1.385 1.00 0.55 H new ATOM 0 HB2 GLN A 112 21.882 -0.508 -1.789 1.00 0.70 H new ATOM 0 HB3 GLN A 112 21.336 0.517 -3.102 1.00 0.70 H new ATOM 0 HG2 GLN A 112 21.801 2.506 -1.557 1.00 1.30 H new ATOM 0 HG3 GLN A 112 22.612 1.371 -0.496 1.00 1.30 H new ATOM 0 HE21 GLN A 112 24.570 0.384 -1.138 1.00 2.05 H new ATOM 0 HE22 GLN A 112 25.521 1.028 -2.480 1.00 2.05 H new ATOM 1130 N LEU A 113 18.252 0.441 -3.016 1.00 0.40 N ATOM 1131 CA LEU A 113 17.211 -0.150 -3.839 1.00 0.33 C ATOM 1132 C LEU A 113 17.779 -1.254 -4.724 1.00 0.36 C ATOM 1133 O LEU A 113 18.570 -0.997 -5.634 1.00 0.43 O ATOM 1134 CB LEU A 113 16.555 0.935 -4.697 1.00 0.32 C ATOM 1135 CG LEU A 113 15.350 0.480 -5.519 1.00 0.30 C ATOM 1136 CD1 LEU A 113 14.201 0.080 -4.609 1.00 0.25 C ATOM 1137 CD2 LEU A 113 14.917 1.582 -6.462 1.00 0.35 C ATOM 0 H LEU A 113 18.316 1.456 -3.097 1.00 0.40 H new ATOM 0 HA LEU A 113 16.460 -0.595 -3.186 1.00 0.33 H new ATOM 0 HB2 LEU A 113 16.242 1.750 -4.045 1.00 0.32 H new ATOM 0 HB3 LEU A 113 17.305 1.340 -5.376 1.00 0.32 H new ATOM 0 HG LEU A 113 15.640 -0.391 -6.106 1.00 0.30 H new ATOM 0 HD11 LEU A 113 13.353 -0.241 -5.214 1.00 0.25 H new ATOM 0 HD12 LEU A 113 14.517 -0.739 -3.963 1.00 0.25 H new ATOM 0 HD13 LEU A 113 13.908 0.933 -3.997 1.00 0.25 H new ATOM 0 HD21 LEU A 113 14.058 1.247 -7.043 1.00 0.35 H new ATOM 0 HD22 LEU A 113 14.644 2.467 -5.887 1.00 0.35 H new ATOM 0 HD23 LEU A 113 15.738 1.827 -7.136 1.00 0.35 H new ATOM 1149 N LYS A 114 17.390 -2.483 -4.436 1.00 0.40 N ATOM 1150 CA LYS A 114 17.879 -3.631 -5.178 1.00 0.47 C ATOM 1151 C LYS A 114 16.812 -4.118 -6.132 1.00 0.37 C ATOM 1152 O LYS A 114 15.675 -4.372 -5.734 1.00 0.33 O ATOM 1153 CB LYS A 114 18.271 -4.753 -4.232 1.00 0.63 C ATOM 1154 CG LYS A 114 19.104 -5.851 -4.856 1.00 0.90 C ATOM 1155 CD LYS A 114 20.440 -5.324 -5.348 1.00 1.14 C ATOM 1156 CE LYS A 114 21.352 -6.453 -5.798 1.00 1.51 C ATOM 1157 NZ LYS A 114 22.671 -5.951 -6.266 1.00 2.09 N ATOM 0 H LYS A 114 16.734 -2.712 -3.690 1.00 0.40 H new ATOM 0 HA LYS A 114 18.760 -3.328 -5.743 1.00 0.47 H new ATOM 0 HB2 LYS A 114 18.826 -4.327 -3.396 1.00 0.63 H new ATOM 0 HB3 LYS A 114 17.364 -5.195 -3.820 1.00 0.63 H new ATOM 0 HG2 LYS A 114 19.271 -6.643 -4.125 1.00 0.90 H new ATOM 0 HG3 LYS A 114 18.558 -6.295 -5.688 1.00 0.90 H new ATOM 0 HD2 LYS A 114 20.278 -4.634 -6.176 1.00 1.14 H new ATOM 0 HD3 LYS A 114 20.925 -4.758 -4.552 1.00 1.14 H new ATOM 0 HE2 LYS A 114 21.501 -7.149 -4.973 1.00 1.51 H new ATOM 0 HE3 LYS A 114 20.870 -7.010 -6.602 1.00 1.51 H new ATOM 0 HZ1 LYS A 114 23.262 -6.753 -6.564 1.00 2.09 H new ATOM 0 HZ2 LYS A 114 22.532 -5.306 -7.070 1.00 2.09 H new ATOM 0 HZ3 LYS A 114 23.143 -5.442 -5.492 1.00 2.09 H new ATOM 1171 N ASP A 115 17.198 -4.256 -7.385 1.00 0.40 N ATOM 1172 CA ASP A 115 16.289 -4.691 -8.444 1.00 0.41 C ATOM 1173 C ASP A 115 15.722 -6.077 -8.142 1.00 0.38 C ATOM 1174 O ASP A 115 14.660 -6.451 -8.635 1.00 0.42 O ATOM 1175 CB ASP A 115 17.024 -4.698 -9.790 1.00 0.53 C ATOM 1176 CG ASP A 115 16.157 -5.173 -10.941 1.00 1.12 C ATOM 1177 OD1 ASP A 115 15.341 -4.374 -11.446 1.00 1.11 O ATOM 1178 OD2 ASP A 115 16.310 -6.340 -11.362 1.00 1.88 O ATOM 0 H ASP A 115 18.149 -4.071 -7.705 1.00 0.40 H new ATOM 0 HA ASP A 115 15.456 -3.990 -8.495 1.00 0.41 H new ATOM 0 HB2 ASP A 115 17.384 -3.692 -10.006 1.00 0.53 H new ATOM 0 HB3 ASP A 115 17.901 -5.341 -9.715 1.00 0.53 H new ATOM 1183 N SER A 116 16.424 -6.817 -7.296 1.00 0.38 N ATOM 1184 CA SER A 116 16.017 -8.165 -6.935 1.00 0.44 C ATOM 1185 C SER A 116 15.016 -8.134 -5.781 1.00 0.40 C ATOM 1186 O SER A 116 14.294 -9.103 -5.543 1.00 0.51 O ATOM 1187 CB SER A 116 17.247 -8.999 -6.561 1.00 0.54 C ATOM 1188 OG SER A 116 16.901 -10.337 -6.235 1.00 0.92 O ATOM 0 H SER A 116 17.283 -6.503 -6.845 1.00 0.38 H new ATOM 0 HA SER A 116 15.528 -8.626 -7.793 1.00 0.44 H new ATOM 0 HB2 SER A 116 17.952 -8.999 -7.392 1.00 0.54 H new ATOM 0 HB3 SER A 116 17.754 -8.538 -5.713 1.00 0.54 H new ATOM 0 HG SER A 116 17.711 -10.837 -6.004 1.00 0.92 H new ATOM 1194 N ASP A 117 14.964 -7.013 -5.073 1.00 0.28 N ATOM 1195 CA ASP A 117 14.040 -6.864 -3.954 1.00 0.28 C ATOM 1196 C ASP A 117 12.765 -6.199 -4.432 1.00 0.22 C ATOM 1197 O ASP A 117 11.691 -6.381 -3.857 1.00 0.24 O ATOM 1198 CB ASP A 117 14.665 -6.040 -2.825 1.00 0.34 C ATOM 1199 CG ASP A 117 15.840 -6.737 -2.169 1.00 1.08 C ATOM 1200 OD1 ASP A 117 15.816 -7.982 -2.059 1.00 1.90 O ATOM 1201 OD2 ASP A 117 16.797 -6.044 -1.758 1.00 1.04 O ATOM 0 H ASP A 117 15.548 -6.196 -5.252 1.00 0.28 H new ATOM 0 HA ASP A 117 13.813 -7.856 -3.563 1.00 0.28 H new ATOM 0 HB2 ASP A 117 14.994 -5.079 -3.222 1.00 0.34 H new ATOM 0 HB3 ASP A 117 13.906 -5.831 -2.071 1.00 0.34 H new ATOM 1206 N ILE A 118 12.905 -5.424 -5.494 1.00 0.23 N ATOM 1207 CA ILE A 118 11.785 -4.747 -6.117 1.00 0.22 C ATOM 1208 C ILE A 118 10.766 -5.744 -6.637 1.00 0.26 C ATOM 1209 O ILE A 118 11.058 -6.542 -7.530 1.00 0.34 O ATOM 1210 CB ILE A 118 12.261 -3.864 -7.284 1.00 0.26 C ATOM 1211 CG1 ILE A 118 13.209 -2.786 -6.765 1.00 0.26 C ATOM 1212 CG2 ILE A 118 11.073 -3.240 -8.004 1.00 0.31 C ATOM 1213 CD1 ILE A 118 14.002 -2.096 -7.852 1.00 0.32 C ATOM 0 H ILE A 118 13.801 -5.247 -5.948 1.00 0.23 H new ATOM 0 HA ILE A 118 11.319 -4.122 -5.355 1.00 0.22 H new ATOM 0 HB ILE A 118 12.798 -4.485 -8.001 1.00 0.26 H new ATOM 0 HG12 ILE A 118 12.632 -2.039 -6.220 1.00 0.26 H new ATOM 0 HG13 ILE A 118 13.901 -3.236 -6.053 1.00 0.26 H new ATOM 0 HG21 ILE A 118 11.431 -2.619 -8.826 1.00 0.31 H new ATOM 0 HG22 ILE A 118 10.431 -4.028 -8.397 1.00 0.31 H new ATOM 0 HG23 ILE A 118 10.506 -2.625 -7.305 1.00 0.31 H new ATOM 0 HD11 ILE A 118 14.653 -1.344 -7.406 1.00 0.32 H new ATOM 0 HD12 ILE A 118 14.607 -2.831 -8.383 1.00 0.32 H new ATOM 0 HD13 ILE A 118 13.318 -1.616 -8.552 1.00 0.32 H new ATOM 1225 N VAL A 119 9.582 -5.710 -6.059 1.00 0.24 N ATOM 1226 CA VAL A 119 8.482 -6.505 -6.551 1.00 0.31 C ATOM 1227 C VAL A 119 7.655 -5.667 -7.519 1.00 0.27 C ATOM 1228 O VAL A 119 7.076 -6.181 -8.477 1.00 0.31 O ATOM 1229 CB VAL A 119 7.581 -7.003 -5.405 1.00 0.36 C ATOM 1230 CG1 VAL A 119 6.575 -8.011 -5.927 1.00 0.47 C ATOM 1231 CG2 VAL A 119 8.407 -7.600 -4.274 1.00 0.38 C ATOM 0 H VAL A 119 9.360 -5.137 -5.245 1.00 0.24 H new ATOM 0 HA VAL A 119 8.893 -7.379 -7.057 1.00 0.31 H new ATOM 0 HB VAL A 119 7.039 -6.147 -5.002 1.00 0.36 H new ATOM 0 HG11 VAL A 119 5.945 -8.355 -5.107 1.00 0.47 H new ATOM 0 HG12 VAL A 119 5.954 -7.543 -6.690 1.00 0.47 H new ATOM 0 HG13 VAL A 119 7.103 -8.861 -6.360 1.00 0.47 H new ATOM 0 HG21 VAL A 119 7.743 -7.942 -3.480 1.00 0.38 H new ATOM 0 HG22 VAL A 119 8.986 -8.443 -4.652 1.00 0.38 H new ATOM 0 HG23 VAL A 119 9.084 -6.843 -3.879 1.00 0.38 H new ATOM 1241 N ASN A 120 7.621 -4.364 -7.257 1.00 0.25 N ATOM 1242 CA ASN A 120 6.872 -3.424 -8.082 1.00 0.24 C ATOM 1243 C ASN A 120 7.334 -1.995 -7.803 1.00 0.23 C ATOM 1244 O ASN A 120 8.009 -1.734 -6.807 1.00 0.26 O ATOM 1245 CB ASN A 120 5.372 -3.578 -7.795 1.00 0.31 C ATOM 1246 CG ASN A 120 4.483 -2.721 -8.674 1.00 0.54 C ATOM 1247 OD1 ASN A 120 4.129 -3.112 -9.786 1.00 1.17 O ATOM 1248 ND2 ASN A 120 4.093 -1.565 -8.167 1.00 0.36 N ATOM 0 H ASN A 120 8.109 -3.933 -6.472 1.00 0.25 H new ATOM 0 HA ASN A 120 7.053 -3.638 -9.135 1.00 0.24 H new ATOM 0 HB2 ASN A 120 5.094 -4.624 -7.925 1.00 0.31 H new ATOM 0 HB3 ASN A 120 5.185 -3.326 -6.751 1.00 0.31 H new ATOM 0 HD21 ASN A 120 3.473 -0.957 -8.702 1.00 0.36 H new ATOM 0 HD22 ASN A 120 4.411 -1.281 -7.241 1.00 0.36 H new ATOM 1255 N GLU A 121 6.970 -1.079 -8.680 1.00 0.24 N ATOM 1256 CA GLU A 121 7.337 0.321 -8.534 1.00 0.25 C ATOM 1257 C GLU A 121 6.093 1.189 -8.464 1.00 0.25 C ATOM 1258 O GLU A 121 5.150 1.008 -9.235 1.00 0.32 O ATOM 1259 CB GLU A 121 8.224 0.776 -9.699 1.00 0.31 C ATOM 1260 CG GLU A 121 8.376 2.294 -9.800 1.00 0.35 C ATOM 1261 CD GLU A 121 9.202 2.740 -10.986 1.00 0.71 C ATOM 1262 OE1 GLU A 121 9.108 2.095 -12.052 1.00 1.17 O ATOM 1263 OE2 GLU A 121 9.964 3.719 -10.855 1.00 1.24 O ATOM 0 H GLU A 121 6.414 -1.281 -9.511 1.00 0.24 H new ATOM 0 HA GLU A 121 7.899 0.428 -7.606 1.00 0.25 H new ATOM 0 HB2 GLU A 121 9.211 0.328 -9.589 1.00 0.31 H new ATOM 0 HB3 GLU A 121 7.805 0.399 -10.632 1.00 0.31 H new ATOM 0 HG2 GLU A 121 7.387 2.747 -9.866 1.00 0.35 H new ATOM 0 HG3 GLU A 121 8.837 2.667 -8.885 1.00 0.35 H new ATOM 1270 N ILE A 122 6.090 2.121 -7.532 1.00 0.21 N ATOM 1271 CA ILE A 122 5.010 3.077 -7.430 1.00 0.23 C ATOM 1272 C ILE A 122 5.526 4.455 -7.811 1.00 0.26 C ATOM 1273 O ILE A 122 6.683 4.598 -8.199 1.00 0.25 O ATOM 1274 CB ILE A 122 4.373 3.093 -6.026 1.00 0.26 C ATOM 1275 CG1 ILE A 122 5.419 3.411 -4.955 1.00 0.27 C ATOM 1276 CG2 ILE A 122 3.699 1.757 -5.747 1.00 0.27 C ATOM 1277 CD1 ILE A 122 4.909 3.258 -3.538 1.00 0.31 C ATOM 0 H ILE A 122 6.825 2.235 -6.834 1.00 0.21 H new ATOM 0 HA ILE A 122 4.221 2.777 -8.120 1.00 0.23 H new ATOM 0 HB ILE A 122 3.618 3.879 -5.994 1.00 0.26 H new ATOM 0 HG12 ILE A 122 6.279 2.756 -5.094 1.00 0.27 H new ATOM 0 HG13 ILE A 122 5.771 4.433 -5.096 1.00 0.27 H new ATOM 0 HG21 ILE A 122 3.251 1.776 -4.753 1.00 0.27 H new ATOM 0 HG22 ILE A 122 2.923 1.578 -6.491 1.00 0.27 H new ATOM 0 HG23 ILE A 122 4.439 0.959 -5.796 1.00 0.27 H new ATOM 0 HD11 ILE A 122 5.707 3.500 -2.836 1.00 0.31 H new ATOM 0 HD12 ILE A 122 4.068 3.933 -3.379 1.00 0.31 H new ATOM 0 HD13 ILE A 122 4.584 2.230 -3.377 1.00 0.31 H new ATOM 1289 N LYS A 123 4.681 5.457 -7.739 1.00 0.30 N ATOM 1290 CA LYS A 123 5.062 6.778 -8.196 1.00 0.34 C ATOM 1291 C LYS A 123 6.044 7.422 -7.240 1.00 0.36 C ATOM 1292 O LYS A 123 5.712 7.729 -6.104 1.00 0.42 O ATOM 1293 CB LYS A 123 3.831 7.657 -8.373 1.00 0.39 C ATOM 1294 CG LYS A 123 4.116 8.886 -9.195 1.00 0.48 C ATOM 1295 CD LYS A 123 2.876 9.729 -9.407 1.00 0.75 C ATOM 1296 CE LYS A 123 1.861 9.042 -10.307 1.00 1.35 C ATOM 1297 NZ LYS A 123 0.664 9.895 -10.530 1.00 2.15 N ATOM 0 H LYS A 123 3.732 5.387 -7.372 1.00 0.30 H new ATOM 0 HA LYS A 123 5.554 6.672 -9.163 1.00 0.34 H new ATOM 0 HB2 LYS A 123 3.041 7.079 -8.851 1.00 0.39 H new ATOM 0 HB3 LYS A 123 3.458 7.957 -7.394 1.00 0.39 H new ATOM 0 HG2 LYS A 123 4.880 9.484 -8.699 1.00 0.48 H new ATOM 0 HG3 LYS A 123 4.522 8.589 -10.162 1.00 0.48 H new ATOM 0 HD2 LYS A 123 2.416 9.945 -8.443 1.00 0.75 H new ATOM 0 HD3 LYS A 123 3.160 10.685 -9.846 1.00 0.75 H new ATOM 0 HE2 LYS A 123 2.324 8.806 -11.265 1.00 1.35 H new ATOM 0 HE3 LYS A 123 1.557 8.096 -9.858 1.00 1.35 H new ATOM 0 HZ1 LYS A 123 -0.008 9.396 -11.148 1.00 2.15 H new ATOM 0 HZ2 LYS A 123 0.209 10.100 -9.618 1.00 2.15 H new ATOM 0 HZ3 LYS A 123 0.952 10.787 -10.981 1.00 2.15 H new ATOM 1311 N GLY A 124 7.259 7.608 -7.712 1.00 0.37 N ATOM 1312 CA GLY A 124 8.293 8.188 -6.891 1.00 0.42 C ATOM 1313 C GLY A 124 8.934 7.176 -5.966 1.00 0.38 C ATOM 1314 O GLY A 124 10.104 7.303 -5.604 1.00 0.42 O ATOM 0 H GLY A 124 7.551 7.365 -8.659 1.00 0.37 H new ATOM 0 HA2 GLY A 124 9.058 8.626 -7.532 1.00 0.42 H new ATOM 0 HA3 GLY A 124 7.870 9.000 -6.299 1.00 0.42 H new ATOM 1318 N GLY A 125 8.166 6.179 -5.559 1.00 0.34 N ATOM 1319 CA GLY A 125 8.700 5.163 -4.680 1.00 0.31 C ATOM 1320 C GLY A 125 8.751 3.776 -5.292 1.00 0.25 C ATOM 1321 O GLY A 125 8.402 3.577 -6.452 1.00 0.29 O ATOM 0 H GLY A 125 7.188 6.055 -5.820 1.00 0.34 H new ATOM 0 HA2 GLY A 125 9.707 5.452 -4.378 1.00 0.31 H new ATOM 0 HA3 GLY A 125 8.094 5.126 -3.775 1.00 0.31 H new ATOM 1325 N TYR A 126 9.203 2.816 -4.498 1.00 0.19 N ATOM 1326 CA TYR A 126 9.226 1.422 -4.893 1.00 0.16 C ATOM 1327 C TYR A 126 8.655 0.574 -3.782 1.00 0.16 C ATOM 1328 O TYR A 126 9.146 0.611 -2.657 1.00 0.17 O ATOM 1329 CB TYR A 126 10.655 0.957 -5.181 1.00 0.15 C ATOM 1330 CG TYR A 126 11.088 1.143 -6.610 1.00 0.18 C ATOM 1331 CD1 TYR A 126 11.319 2.402 -7.126 1.00 0.24 C ATOM 1332 CD2 TYR A 126 11.245 0.054 -7.447 1.00 0.21 C ATOM 1333 CE1 TYR A 126 11.700 2.574 -8.439 1.00 0.29 C ATOM 1334 CE2 TYR A 126 11.632 0.213 -8.761 1.00 0.27 C ATOM 1335 CZ TYR A 126 11.860 1.475 -9.252 1.00 0.30 C ATOM 1336 OH TYR A 126 12.255 1.638 -10.560 1.00 0.38 O ATOM 0 H TYR A 126 9.564 2.986 -3.560 1.00 0.19 H new ATOM 0 HA TYR A 126 8.630 1.315 -5.799 1.00 0.16 H new ATOM 0 HB2 TYR A 126 11.340 1.502 -4.532 1.00 0.15 H new ATOM 0 HB3 TYR A 126 10.741 -0.098 -4.921 1.00 0.15 H new ATOM 0 HD1 TYR A 126 11.199 3.267 -6.490 1.00 0.24 H new ATOM 0 HD2 TYR A 126 11.061 -0.939 -7.065 1.00 0.21 H new ATOM 0 HE1 TYR A 126 11.872 3.567 -8.828 1.00 0.29 H new ATOM 0 HE2 TYR A 126 11.755 -0.649 -9.400 1.00 0.27 H new ATOM 0 HH TYR A 126 11.839 2.445 -10.929 1.00 0.38 H new ATOM 1346 N VAL A 127 7.619 -0.180 -4.081 1.00 0.18 N ATOM 1347 CA VAL A 127 7.131 -1.144 -3.125 1.00 0.20 C ATOM 1348 C VAL A 127 8.000 -2.391 -3.232 1.00 0.17 C ATOM 1349 O VAL A 127 7.983 -3.110 -4.235 1.00 0.20 O ATOM 1350 CB VAL A 127 5.630 -1.460 -3.327 1.00 0.29 C ATOM 1351 CG1 VAL A 127 5.325 -1.870 -4.763 1.00 0.55 C ATOM 1352 CG2 VAL A 127 5.178 -2.527 -2.347 1.00 0.60 C ATOM 0 H VAL A 127 7.108 -0.145 -4.963 1.00 0.18 H new ATOM 0 HA VAL A 127 7.203 -0.731 -2.119 1.00 0.20 H new ATOM 0 HB VAL A 127 5.068 -0.547 -3.130 1.00 0.29 H new ATOM 0 HG11 VAL A 127 4.261 -2.083 -4.862 1.00 0.55 H new ATOM 0 HG12 VAL A 127 5.597 -1.059 -5.439 1.00 0.55 H new ATOM 0 HG13 VAL A 127 5.899 -2.761 -5.017 1.00 0.55 H new ATOM 0 HG21 VAL A 127 4.120 -2.738 -2.502 1.00 0.60 H new ATOM 0 HG22 VAL A 127 5.757 -3.437 -2.507 1.00 0.60 H new ATOM 0 HG23 VAL A 127 5.332 -2.173 -1.328 1.00 0.60 H new ATOM 1362 N ILE A 128 8.785 -2.626 -2.201 1.00 0.14 N ATOM 1363 CA ILE A 128 9.869 -3.581 -2.289 1.00 0.12 C ATOM 1364 C ILE A 128 9.797 -4.619 -1.194 1.00 0.13 C ATOM 1365 O ILE A 128 9.298 -4.361 -0.104 1.00 0.16 O ATOM 1366 CB ILE A 128 11.239 -2.872 -2.221 1.00 0.13 C ATOM 1367 CG1 ILE A 128 11.362 -2.045 -0.931 1.00 0.16 C ATOM 1368 CG2 ILE A 128 11.425 -1.986 -3.444 1.00 0.16 C ATOM 1369 CD1 ILE A 128 12.682 -1.325 -0.788 1.00 0.19 C ATOM 0 H ILE A 128 8.693 -2.169 -1.294 1.00 0.14 H new ATOM 0 HA ILE A 128 9.764 -4.082 -3.251 1.00 0.12 H new ATOM 0 HB ILE A 128 12.023 -3.629 -2.211 1.00 0.13 H new ATOM 0 HG12 ILE A 128 10.555 -1.313 -0.902 1.00 0.16 H new ATOM 0 HG13 ILE A 128 11.224 -2.704 -0.074 1.00 0.16 H new ATOM 0 HG21 ILE A 128 12.394 -1.489 -3.389 1.00 0.16 H new ATOM 0 HG22 ILE A 128 11.381 -2.597 -4.346 1.00 0.16 H new ATOM 0 HG23 ILE A 128 10.634 -1.237 -3.474 1.00 0.16 H new ATOM 0 HD11 ILE A 128 12.691 -0.764 0.147 1.00 0.19 H new ATOM 0 HD12 ILE A 128 13.494 -2.052 -0.783 1.00 0.19 H new ATOM 0 HD13 ILE A 128 12.814 -0.639 -1.624 1.00 0.19 H new ATOM 1381 N LYS A 129 10.303 -5.793 -1.497 1.00 0.15 N ATOM 1382 CA LYS A 129 10.419 -6.843 -0.512 1.00 0.18 C ATOM 1383 C LYS A 129 11.885 -7.185 -0.334 1.00 0.19 C ATOM 1384 O LYS A 129 12.487 -7.848 -1.179 1.00 0.20 O ATOM 1385 CB LYS A 129 9.639 -8.085 -0.947 1.00 0.22 C ATOM 1386 CG LYS A 129 9.681 -9.219 0.064 1.00 0.28 C ATOM 1387 CD LYS A 129 9.046 -10.478 -0.495 1.00 0.40 C ATOM 1388 CE LYS A 129 9.094 -11.620 0.505 1.00 0.51 C ATOM 1389 NZ LYS A 129 8.626 -12.897 -0.093 1.00 0.76 N ATOM 0 H LYS A 129 10.643 -6.045 -2.425 1.00 0.15 H new ATOM 0 HA LYS A 129 9.999 -6.497 0.433 1.00 0.18 H new ATOM 0 HB2 LYS A 129 8.600 -7.807 -1.125 1.00 0.22 H new ATOM 0 HB3 LYS A 129 10.040 -8.441 -1.896 1.00 0.22 H new ATOM 0 HG2 LYS A 129 10.715 -9.423 0.342 1.00 0.28 H new ATOM 0 HG3 LYS A 129 9.160 -8.919 0.973 1.00 0.28 H new ATOM 0 HD2 LYS A 129 8.010 -10.274 -0.766 1.00 0.40 H new ATOM 0 HD3 LYS A 129 9.563 -10.772 -1.409 1.00 0.40 H new ATOM 0 HE2 LYS A 129 10.114 -11.742 0.869 1.00 0.51 H new ATOM 0 HE3 LYS A 129 8.475 -11.374 1.368 1.00 0.51 H new ATOM 0 HZ1 LYS A 129 8.006 -13.389 0.581 1.00 0.76 H new ATOM 0 HZ2 LYS A 129 8.099 -12.698 -0.967 1.00 0.76 H new ATOM 0 HZ3 LYS A 129 9.446 -13.499 -0.312 1.00 0.76 H new ATOM 1403 N VAL A 130 12.459 -6.728 0.762 1.00 0.21 N ATOM 1404 CA VAL A 130 13.854 -6.967 1.036 1.00 0.24 C ATOM 1405 C VAL A 130 13.982 -7.803 2.302 1.00 0.29 C ATOM 1406 O VAL A 130 13.303 -7.547 3.302 1.00 0.29 O ATOM 1407 CB VAL A 130 14.656 -5.640 1.163 1.00 0.24 C ATOM 1408 CG1 VAL A 130 13.945 -4.510 0.443 1.00 0.26 C ATOM 1409 CG2 VAL A 130 14.914 -5.246 2.607 1.00 0.26 C ATOM 0 H VAL A 130 11.974 -6.187 1.478 1.00 0.21 H new ATOM 0 HA VAL A 130 14.282 -7.513 0.195 1.00 0.24 H new ATOM 0 HB VAL A 130 15.624 -5.820 0.694 1.00 0.24 H new ATOM 0 HG11 VAL A 130 14.524 -3.592 0.545 1.00 0.26 H new ATOM 0 HG12 VAL A 130 13.843 -4.759 -0.613 1.00 0.26 H new ATOM 0 HG13 VAL A 130 12.956 -4.366 0.879 1.00 0.26 H new ATOM 0 HG21 VAL A 130 15.477 -4.313 2.635 1.00 0.26 H new ATOM 0 HG22 VAL A 130 13.963 -5.111 3.123 1.00 0.26 H new ATOM 0 HG23 VAL A 130 15.487 -6.030 3.101 1.00 0.26 H new ATOM 1419 N ASP A 131 14.801 -8.840 2.227 1.00 0.36 N ATOM 1420 CA ASP A 131 15.078 -9.698 3.371 1.00 0.44 C ATOM 1421 C ASP A 131 13.789 -10.356 3.887 1.00 0.43 C ATOM 1422 O ASP A 131 13.638 -10.643 5.075 1.00 0.50 O ATOM 1423 CB ASP A 131 15.780 -8.881 4.462 1.00 0.48 C ATOM 1424 CG ASP A 131 16.271 -9.722 5.625 1.00 0.59 C ATOM 1425 OD1 ASP A 131 16.845 -10.806 5.385 1.00 0.74 O ATOM 1426 OD2 ASP A 131 16.107 -9.289 6.786 1.00 0.59 O ATOM 0 H ASP A 131 15.292 -9.111 1.375 1.00 0.36 H new ATOM 0 HA ASP A 131 15.743 -10.506 3.066 1.00 0.44 H new ATOM 0 HB2 ASP A 131 16.627 -8.354 4.022 1.00 0.48 H new ATOM 0 HB3 ASP A 131 15.092 -8.123 4.837 1.00 0.48 H new ATOM 1431 N GLY A 132 12.850 -10.576 2.972 1.00 0.39 N ATOM 1432 CA GLY A 132 11.608 -11.247 3.315 1.00 0.40 C ATOM 1433 C GLY A 132 10.554 -10.302 3.862 1.00 0.40 C ATOM 1434 O GLY A 132 9.460 -10.731 4.236 1.00 0.59 O ATOM 0 H GLY A 132 12.928 -10.300 1.993 1.00 0.39 H new ATOM 0 HA2 GLY A 132 11.215 -11.747 2.430 1.00 0.40 H new ATOM 0 HA3 GLY A 132 11.812 -12.022 4.054 1.00 0.40 H new ATOM 1438 N LYS A 133 10.875 -9.019 3.905 1.00 0.30 N ATOM 1439 CA LYS A 133 9.964 -8.019 4.440 1.00 0.29 C ATOM 1440 C LYS A 133 9.663 -6.956 3.407 1.00 0.26 C ATOM 1441 O LYS A 133 10.499 -6.633 2.570 1.00 0.33 O ATOM 1442 CB LYS A 133 10.570 -7.370 5.681 1.00 0.33 C ATOM 1443 CG LYS A 133 10.620 -8.294 6.879 1.00 0.40 C ATOM 1444 CD LYS A 133 11.761 -7.937 7.817 1.00 0.80 C ATOM 1445 CE LYS A 133 13.109 -8.178 7.157 1.00 0.62 C ATOM 1446 NZ LYS A 133 14.247 -7.730 8.004 1.00 1.15 N ATOM 0 H LYS A 133 11.764 -8.644 3.574 1.00 0.30 H new ATOM 0 HA LYS A 133 9.032 -8.517 4.708 1.00 0.29 H new ATOM 0 HB2 LYS A 133 11.580 -7.033 5.449 1.00 0.33 H new ATOM 0 HB3 LYS A 133 9.990 -6.484 5.939 1.00 0.33 H new ATOM 0 HG2 LYS A 133 9.675 -8.241 7.419 1.00 0.40 H new ATOM 0 HG3 LYS A 133 10.736 -9.323 6.540 1.00 0.40 H new ATOM 0 HD2 LYS A 133 11.679 -6.891 8.112 1.00 0.80 H new ATOM 0 HD3 LYS A 133 11.687 -8.532 8.727 1.00 0.80 H new ATOM 0 HE2 LYS A 133 13.219 -9.240 6.940 1.00 0.62 H new ATOM 0 HE3 LYS A 133 13.142 -7.652 6.203 1.00 0.62 H new ATOM 0 HZ1 LYS A 133 15.138 -8.095 7.610 1.00 1.15 H new ATOM 0 HZ2 LYS A 133 14.277 -6.691 8.024 1.00 1.15 H new ATOM 0 HZ3 LYS A 133 14.123 -8.091 8.971 1.00 1.15 H new ATOM 1460 N TYR A 134 8.470 -6.410 3.475 1.00 0.25 N ATOM 1461 CA TYR A 134 8.047 -5.396 2.526 1.00 0.23 C ATOM 1462 C TYR A 134 8.254 -3.998 3.072 1.00 0.22 C ATOM 1463 O TYR A 134 7.984 -3.722 4.242 1.00 0.26 O ATOM 1464 CB TYR A 134 6.585 -5.582 2.163 1.00 0.28 C ATOM 1465 CG TYR A 134 6.362 -6.092 0.766 1.00 0.46 C ATOM 1466 CD1 TYR A 134 6.271 -5.221 -0.311 1.00 0.64 C ATOM 1467 CD2 TYR A 134 6.219 -7.440 0.530 1.00 0.63 C ATOM 1468 CE1 TYR A 134 6.040 -5.692 -1.587 1.00 0.88 C ATOM 1469 CE2 TYR A 134 5.980 -7.919 -0.744 1.00 0.86 C ATOM 1470 CZ TYR A 134 5.890 -7.043 -1.793 1.00 0.91 C ATOM 1471 OH TYR A 134 5.627 -7.522 -3.050 1.00 1.22 O ATOM 0 H TYR A 134 7.771 -6.650 4.178 1.00 0.25 H new ATOM 0 HA TYR A 134 8.663 -5.513 1.634 1.00 0.23 H new ATOM 0 HB2 TYR A 134 6.131 -6.277 2.869 1.00 0.28 H new ATOM 0 HB3 TYR A 134 6.069 -4.629 2.278 1.00 0.28 H new ATOM 0 HD1 TYR A 134 6.383 -4.159 -0.148 1.00 0.64 H new ATOM 0 HD2 TYR A 134 6.295 -8.135 1.353 1.00 0.63 H new ATOM 0 HE1 TYR A 134 5.977 -5.005 -2.418 1.00 0.88 H new ATOM 0 HE2 TYR A 134 5.865 -8.980 -0.912 1.00 0.86 H new ATOM 0 HH TYR A 134 5.552 -8.499 -3.019 1.00 1.22 H new ATOM 1481 N TYR A 135 8.738 -3.128 2.209 1.00 0.19 N ATOM 1482 CA TYR A 135 8.950 -1.733 2.539 1.00 0.20 C ATOM 1483 C TYR A 135 8.588 -0.889 1.345 1.00 0.19 C ATOM 1484 O TYR A 135 8.370 -1.409 0.249 1.00 0.21 O ATOM 1485 CB TYR A 135 10.416 -1.460 2.897 1.00 0.19 C ATOM 1486 CG TYR A 135 10.995 -2.380 3.922 1.00 0.21 C ATOM 1487 CD1 TYR A 135 11.599 -3.559 3.539 1.00 0.22 C ATOM 1488 CD2 TYR A 135 10.954 -2.064 5.266 1.00 0.28 C ATOM 1489 CE1 TYR A 135 12.145 -4.405 4.456 1.00 0.26 C ATOM 1490 CE2 TYR A 135 11.499 -2.909 6.204 1.00 0.32 C ATOM 1491 CZ TYR A 135 12.096 -4.082 5.797 1.00 0.31 C ATOM 1492 OH TYR A 135 12.643 -4.932 6.729 1.00 0.37 O ATOM 0 H TYR A 135 8.997 -3.370 1.253 1.00 0.19 H new ATOM 0 HA TYR A 135 8.327 -1.488 3.399 1.00 0.20 H new ATOM 0 HB2 TYR A 135 11.015 -1.528 1.989 1.00 0.19 H new ATOM 0 HB3 TYR A 135 10.502 -0.436 3.260 1.00 0.19 H new ATOM 0 HD1 TYR A 135 11.640 -3.817 2.491 1.00 0.22 H new ATOM 0 HD2 TYR A 135 10.489 -1.143 5.584 1.00 0.28 H new ATOM 0 HE1 TYR A 135 12.614 -5.324 4.136 1.00 0.26 H new ATOM 0 HE2 TYR A 135 11.459 -2.655 7.253 1.00 0.32 H new ATOM 0 HH TYR A 135 12.524 -4.555 7.626 1.00 0.37 H new ATOM 1502 N VAL A 136 8.524 0.404 1.549 1.00 0.21 N ATOM 1503 CA VAL A 136 8.320 1.312 0.454 1.00 0.22 C ATOM 1504 C VAL A 136 9.464 2.298 0.364 1.00 0.23 C ATOM 1505 O VAL A 136 9.727 3.082 1.279 1.00 0.31 O ATOM 1506 CB VAL A 136 6.962 2.030 0.544 1.00 0.25 C ATOM 1507 CG1 VAL A 136 6.878 3.176 -0.458 1.00 0.26 C ATOM 1508 CG2 VAL A 136 5.857 1.021 0.290 1.00 0.26 C ATOM 0 H VAL A 136 8.610 0.848 2.463 1.00 0.21 H new ATOM 0 HA VAL A 136 8.301 0.725 -0.464 1.00 0.22 H new ATOM 0 HB VAL A 136 6.850 2.458 1.540 1.00 0.25 H new ATOM 0 HG11 VAL A 136 5.908 3.665 -0.371 1.00 0.26 H new ATOM 0 HG12 VAL A 136 7.668 3.898 -0.252 1.00 0.26 H new ATOM 0 HG13 VAL A 136 6.999 2.785 -1.468 1.00 0.26 H new ATOM 0 HG21 VAL A 136 4.889 1.518 0.351 1.00 0.26 H new ATOM 0 HG22 VAL A 136 5.981 0.588 -0.703 1.00 0.26 H new ATOM 0 HG23 VAL A 136 5.907 0.231 1.039 1.00 0.26 H new ATOM 1518 N TYR A 137 10.146 2.211 -0.752 1.00 0.20 N ATOM 1519 CA TYR A 137 11.246 3.081 -1.077 1.00 0.24 C ATOM 1520 C TYR A 137 10.703 4.387 -1.547 1.00 0.27 C ATOM 1521 O TYR A 137 9.778 4.413 -2.334 1.00 0.46 O ATOM 1522 CB TYR A 137 12.068 2.435 -2.190 1.00 0.35 C ATOM 1523 CG TYR A 137 13.101 3.342 -2.794 1.00 0.50 C ATOM 1524 CD1 TYR A 137 14.194 3.720 -2.058 1.00 0.59 C ATOM 1525 CD2 TYR A 137 12.987 3.814 -4.092 1.00 0.63 C ATOM 1526 CE1 TYR A 137 15.159 4.537 -2.577 1.00 0.76 C ATOM 1527 CE2 TYR A 137 13.953 4.639 -4.628 1.00 0.78 C ATOM 1528 CZ TYR A 137 15.041 5.000 -3.864 1.00 0.77 C ATOM 1529 OH TYR A 137 16.016 5.818 -4.395 1.00 1.01 O ATOM 0 H TYR A 137 9.946 1.518 -1.474 1.00 0.20 H new ATOM 0 HA TYR A 137 11.876 3.242 -0.203 1.00 0.24 H new ATOM 0 HB2 TYR A 137 12.565 1.550 -1.793 1.00 0.35 H new ATOM 0 HB3 TYR A 137 11.393 2.096 -2.976 1.00 0.35 H new ATOM 0 HD1 TYR A 137 14.295 3.364 -1.044 1.00 0.59 H new ATOM 0 HD2 TYR A 137 12.133 3.533 -4.690 1.00 0.63 H new ATOM 0 HE1 TYR A 137 16.012 4.817 -1.976 1.00 0.76 H new ATOM 0 HE2 TYR A 137 13.857 5.000 -5.641 1.00 0.78 H new ATOM 0 HH TYR A 137 16.069 5.677 -5.363 1.00 1.01 H new ATOM 1539 N LEU A 138 11.225 5.465 -1.025 1.00 0.29 N ATOM 1540 CA LEU A 138 10.836 6.751 -1.515 1.00 0.38 C ATOM 1541 C LEU A 138 12.030 7.530 -2.020 1.00 0.44 C ATOM 1542 O LEU A 138 13.022 7.708 -1.313 1.00 0.50 O ATOM 1543 CB LEU A 138 10.115 7.512 -0.429 1.00 0.48 C ATOM 1544 CG LEU A 138 9.003 8.409 -0.945 1.00 0.64 C ATOM 1545 CD1 LEU A 138 8.005 7.597 -1.759 1.00 0.72 C ATOM 1546 CD2 LEU A 138 8.312 9.110 0.205 1.00 0.72 C ATOM 0 H LEU A 138 11.911 5.475 -0.271 1.00 0.29 H new ATOM 0 HA LEU A 138 10.160 6.612 -2.359 1.00 0.38 H new ATOM 0 HB2 LEU A 138 9.695 6.801 0.283 1.00 0.48 H new ATOM 0 HB3 LEU A 138 10.837 8.120 0.116 1.00 0.48 H new ATOM 0 HG LEU A 138 9.440 9.168 -1.594 1.00 0.64 H new ATOM 0 HD11 LEU A 138 7.213 8.252 -2.123 1.00 0.72 H new ATOM 0 HD12 LEU A 138 8.514 7.138 -2.606 1.00 0.72 H new ATOM 0 HD13 LEU A 138 7.572 6.818 -1.131 1.00 0.72 H new ATOM 0 HD21 LEU A 138 7.518 9.749 -0.182 1.00 0.72 H new ATOM 0 HD22 LEU A 138 7.884 8.368 0.879 1.00 0.72 H new ATOM 0 HD23 LEU A 138 9.035 9.719 0.747 1.00 0.72 H new ATOM 1558 N LYS A 139 11.930 7.976 -3.257 1.00 0.46 N ATOM 1559 CA LYS A 139 12.964 8.801 -3.854 1.00 0.54 C ATOM 1560 C LYS A 139 12.825 10.238 -3.383 1.00 0.64 C ATOM 1561 O LYS A 139 13.750 11.037 -3.508 1.00 0.74 O ATOM 1562 CB LYS A 139 12.895 8.744 -5.374 1.00 0.56 C ATOM 1563 CG LYS A 139 13.271 7.393 -5.952 1.00 0.50 C ATOM 1564 CD LYS A 139 13.295 7.422 -7.473 1.00 0.59 C ATOM 1565 CE LYS A 139 14.175 8.542 -8.014 1.00 1.51 C ATOM 1566 NZ LYS A 139 15.585 8.431 -7.550 1.00 2.31 N ATOM 0 H LYS A 139 11.140 7.780 -3.871 1.00 0.46 H new ATOM 0 HA LYS A 139 13.932 8.413 -3.538 1.00 0.54 H new ATOM 0 HB2 LYS A 139 11.884 8.997 -5.693 1.00 0.56 H new ATOM 0 HB3 LYS A 139 13.559 9.503 -5.788 1.00 0.56 H new ATOM 0 HG2 LYS A 139 14.251 7.096 -5.578 1.00 0.50 H new ATOM 0 HG3 LYS A 139 12.559 6.641 -5.613 1.00 0.50 H new ATOM 0 HD2 LYS A 139 13.658 6.465 -7.847 1.00 0.59 H new ATOM 0 HD3 LYS A 139 12.279 7.547 -7.848 1.00 0.59 H new ATOM 0 HE2 LYS A 139 14.152 8.524 -9.104 1.00 1.51 H new ATOM 0 HE3 LYS A 139 13.767 9.504 -7.702 1.00 1.51 H new ATOM 0 HZ1 LYS A 139 16.161 9.164 -8.011 1.00 2.31 H new ATOM 0 HZ2 LYS A 139 15.622 8.559 -6.519 1.00 2.31 H new ATOM 0 HZ3 LYS A 139 15.958 7.492 -7.796 1.00 2.31 H new ATOM 1580 N ASP A 140 11.661 10.553 -2.832 1.00 0.66 N ATOM 1581 CA ASP A 140 11.382 11.891 -2.350 1.00 0.78 C ATOM 1582 C ASP A 140 10.569 11.817 -1.065 1.00 0.77 C ATOM 1583 O ASP A 140 9.342 11.931 -1.079 1.00 0.88 O ATOM 1584 CB ASP A 140 10.621 12.686 -3.411 1.00 1.00 C ATOM 1585 CG ASP A 140 10.541 14.168 -3.100 1.00 1.24 C ATOM 1586 OD1 ASP A 140 10.764 14.539 -1.926 1.00 1.58 O ATOM 1587 OD2 ASP A 140 10.246 14.970 -4.015 1.00 1.57 O ATOM 0 H ASP A 140 10.893 9.893 -2.709 1.00 0.66 H new ATOM 0 HA ASP A 140 12.325 12.398 -2.145 1.00 0.78 H new ATOM 0 HB2 ASP A 140 11.107 12.549 -4.377 1.00 1.00 H new ATOM 0 HB3 ASP A 140 9.612 12.285 -3.502 1.00 1.00 H new ATOM 1592 N ALA A 141 11.259 11.613 0.046 1.00 0.73 N ATOM 1593 CA ALA A 141 10.602 11.508 1.339 1.00 0.79 C ATOM 1594 C ALA A 141 10.169 12.879 1.846 1.00 0.97 C ATOM 1595 O ALA A 141 9.346 12.983 2.756 1.00 1.12 O ATOM 1596 CB ALA A 141 11.526 10.845 2.349 1.00 0.86 C ATOM 0 H ALA A 141 12.274 11.517 0.078 1.00 0.73 H new ATOM 0 HA ALA A 141 9.711 10.892 1.216 1.00 0.79 H new ATOM 0 HB1 ALA A 141 11.021 10.773 3.312 1.00 0.86 H new ATOM 0 HB2 ALA A 141 11.788 9.846 2.001 1.00 0.86 H new ATOM 0 HB3 ALA A 141 12.433 11.440 2.458 1.00 0.86 H new ATOM 1602 N ALA A 142 10.714 13.926 1.243 1.00 1.02 N ATOM 1603 CA ALA A 142 10.471 15.286 1.706 1.00 1.26 C ATOM 1604 C ALA A 142 9.173 15.854 1.151 1.00 1.37 C ATOM 1605 O ALA A 142 8.383 16.450 1.883 1.00 1.60 O ATOM 1606 CB ALA A 142 11.627 16.194 1.321 1.00 1.38 C ATOM 0 H ALA A 142 11.328 13.860 0.431 1.00 1.02 H new ATOM 0 HA ALA A 142 10.385 15.243 2.792 1.00 1.26 H new ATOM 0 HB1 ALA A 142 11.428 17.206 1.675 1.00 1.38 H new ATOM 0 HB2 ALA A 142 12.547 15.825 1.775 1.00 1.38 H new ATOM 0 HB3 ALA A 142 11.736 16.204 0.237 1.00 1.38 H new ATOM 1612 N HIS A 143 8.947 15.661 -0.139 1.00 1.30 N ATOM 1613 CA HIS A 143 7.819 16.296 -0.808 1.00 1.50 C ATOM 1614 C HIS A 143 6.608 15.377 -0.844 1.00 1.25 C ATOM 1615 O HIS A 143 5.596 15.689 -1.475 1.00 1.33 O ATOM 1616 CB HIS A 143 8.208 16.695 -2.226 1.00 1.74 C ATOM 1617 CG HIS A 143 7.756 18.065 -2.603 1.00 2.20 C ATOM 1618 ND1 HIS A 143 6.677 18.312 -3.420 1.00 2.83 N ATOM 1619 CD2 HIS A 143 8.265 19.272 -2.276 1.00 2.47 C ATOM 1620 CE1 HIS A 143 6.541 19.613 -3.581 1.00 3.41 C ATOM 1621 NE2 HIS A 143 7.492 20.222 -2.897 1.00 3.11 N ATOM 0 H HIS A 143 9.524 15.074 -0.741 1.00 1.30 H new ATOM 0 HA HIS A 143 7.552 17.188 -0.241 1.00 1.50 H new ATOM 0 HB2 HIS A 143 9.292 16.638 -2.327 1.00 1.74 H new ATOM 0 HB3 HIS A 143 7.784 15.975 -2.927 1.00 1.74 H new ATOM 0 HD2 HIS A 143 9.121 19.456 -1.644 1.00 2.47 H new ATOM 0 HE1 HIS A 143 5.780 20.099 -4.173 1.00 3.41 H new ATOM 0 HE2 HIS A 143 7.630 21.231 -2.839 1.00 3.11 H new ATOM 1630 N ALA A 144 6.734 14.248 -0.149 1.00 0.99 N ATOM 1631 CA ALA A 144 5.701 13.223 -0.086 1.00 0.77 C ATOM 1632 C ALA A 144 5.405 12.622 -1.449 1.00 0.76 C ATOM 1633 O ALA A 144 4.799 13.245 -2.320 1.00 1.13 O ATOM 1634 CB ALA A 144 4.431 13.758 0.539 1.00 0.88 C ATOM 0 H ALA A 144 7.568 14.019 0.392 1.00 0.99 H new ATOM 0 HA ALA A 144 6.092 12.428 0.549 1.00 0.77 H new ATOM 0 HB1 ALA A 144 3.680 12.968 0.571 1.00 0.88 H new ATOM 0 HB2 ALA A 144 4.641 14.101 1.552 1.00 0.88 H new ATOM 0 HB3 ALA A 144 4.056 14.591 -0.055 1.00 0.88 H new ATOM 1640 N ASP A 145 5.836 11.397 -1.611 1.00 0.59 N ATOM 1641 CA ASP A 145 5.558 10.632 -2.801 1.00 0.87 C ATOM 1642 C ASP A 145 4.690 9.460 -2.447 1.00 0.66 C ATOM 1643 O ASP A 145 5.143 8.319 -2.430 1.00 0.75 O ATOM 1644 CB ASP A 145 6.829 10.210 -3.539 1.00 1.23 C ATOM 1645 CG ASP A 145 7.098 11.100 -4.739 1.00 1.79 C ATOM 1646 OD1 ASP A 145 7.718 12.172 -4.566 1.00 2.20 O ATOM 1647 OD2 ASP A 145 6.708 10.729 -5.863 1.00 1.99 O ATOM 0 H ASP A 145 6.393 10.899 -0.917 1.00 0.59 H new ATOM 0 HA ASP A 145 5.018 11.269 -3.502 1.00 0.87 H new ATOM 0 HB2 ASP A 145 7.678 10.252 -2.857 1.00 1.23 H new ATOM 0 HB3 ASP A 145 6.734 9.175 -3.867 1.00 1.23 H new ATOM 1652 N ASN A 146 3.451 9.802 -2.071 1.00 0.48 N ATOM 1653 CA ASN A 146 2.390 8.846 -1.787 1.00 0.32 C ATOM 1654 C ASN A 146 2.483 8.368 -0.355 1.00 0.25 C ATOM 1655 O ASN A 146 2.261 7.196 -0.076 1.00 0.37 O ATOM 1656 CB ASN A 146 2.511 7.618 -2.673 1.00 0.38 C ATOM 1657 CG ASN A 146 2.701 7.872 -4.143 1.00 0.76 C ATOM 1658 OD1 ASN A 146 3.603 7.091 -4.710 1.00 1.69 O flip ATOM 1659 ND2 ASN A 146 2.098 8.763 -4.745 1.00 0.65 N flip ATOM 0 H ASN A 146 3.159 10.773 -1.955 1.00 0.48 H new ATOM 0 HA ASN A 146 1.444 9.355 -1.970 1.00 0.32 H new ATOM 0 HB2 ASN A 146 3.351 7.021 -2.318 1.00 0.38 H new ATOM 0 HB3 ASN A 146 1.613 7.013 -2.544 1.00 0.38 H new ATOM 0 HD21 ASN A 146 1.411 9.335 -4.254 1.00 0.65 H new ATOM 0 HD22 ASN A 146 2.286 8.928 -5.734 1.00 0.65 H new ATOM 1666 N ILE A 147 2.805 9.261 0.562 1.00 0.30 N ATOM 1667 CA ILE A 147 3.003 8.849 1.939 1.00 0.34 C ATOM 1668 C ILE A 147 2.095 9.608 2.887 1.00 0.38 C ATOM 1669 O ILE A 147 2.135 10.835 2.967 1.00 0.46 O ATOM 1670 CB ILE A 147 4.467 9.017 2.394 1.00 0.42 C ATOM 1671 CG1 ILE A 147 5.414 8.291 1.433 1.00 0.46 C ATOM 1672 CG2 ILE A 147 4.642 8.492 3.809 1.00 0.49 C ATOM 1673 CD1 ILE A 147 5.138 6.808 1.292 1.00 0.50 C ATOM 0 H ILE A 147 2.933 10.257 0.384 1.00 0.30 H new ATOM 0 HA ILE A 147 2.749 7.789 1.973 1.00 0.34 H new ATOM 0 HB ILE A 147 4.714 10.079 2.384 1.00 0.42 H new ATOM 0 HG12 ILE A 147 5.344 8.757 0.450 1.00 0.46 H new ATOM 0 HG13 ILE A 147 6.439 8.427 1.778 1.00 0.46 H new ATOM 0 HG21 ILE A 147 5.680 8.617 4.118 1.00 0.49 H new ATOM 0 HG22 ILE A 147 3.993 9.047 4.486 1.00 0.49 H new ATOM 0 HG23 ILE A 147 4.379 7.435 3.840 1.00 0.49 H new ATOM 0 HD11 ILE A 147 5.852 6.370 0.595 1.00 0.50 H new ATOM 0 HD12 ILE A 147 5.237 6.325 2.264 1.00 0.50 H new ATOM 0 HD13 ILE A 147 4.126 6.660 0.916 1.00 0.50 H new ATOM 1685 N ARG A 148 1.274 8.858 3.592 1.00 0.36 N ATOM 1686 CA ARG A 148 0.447 9.399 4.650 1.00 0.38 C ATOM 1687 C ARG A 148 1.032 8.960 5.976 1.00 0.36 C ATOM 1688 O ARG A 148 1.213 7.764 6.216 1.00 0.39 O ATOM 1689 CB ARG A 148 -0.989 8.901 4.504 1.00 0.45 C ATOM 1690 CG ARG A 148 -1.610 9.255 3.163 1.00 0.62 C ATOM 1691 CD ARG A 148 -1.586 10.753 2.921 1.00 0.83 C ATOM 1692 NE ARG A 148 -2.082 11.110 1.595 1.00 0.98 N ATOM 1693 CZ ARG A 148 -1.939 12.317 1.049 1.00 1.03 C ATOM 1694 NH1 ARG A 148 -1.331 13.286 1.723 1.00 1.40 N ATOM 1695 NH2 ARG A 148 -2.403 12.556 -0.170 1.00 1.78 N ATOM 0 H ARG A 148 1.161 7.855 3.447 1.00 0.36 H new ATOM 0 HA ARG A 148 0.428 10.487 4.596 1.00 0.38 H new ATOM 0 HB2 ARG A 148 -1.006 7.819 4.631 1.00 0.45 H new ATOM 0 HB3 ARG A 148 -1.597 9.326 5.303 1.00 0.45 H new ATOM 0 HG2 ARG A 148 -1.069 8.747 2.364 1.00 0.62 H new ATOM 0 HG3 ARG A 148 -2.639 8.896 3.130 1.00 0.62 H new ATOM 0 HD2 ARG A 148 -2.191 11.251 3.679 1.00 0.83 H new ATOM 0 HD3 ARG A 148 -0.566 11.121 3.036 1.00 0.83 H new ATOM 0 HE ARG A 148 -2.567 10.393 1.055 1.00 0.98 H new ATOM 0 HH11 ARG A 148 -0.972 13.107 2.661 1.00 1.40 H new ATOM 0 HH12 ARG A 148 -1.223 14.209 1.303 1.00 1.40 H new ATOM 0 HH21 ARG A 148 -2.871 11.815 -0.692 1.00 1.78 H new ATOM 0 HH22 ARG A 148 -2.292 13.481 -0.586 1.00 1.78 H new ATOM 1709 N THR A 149 1.372 9.920 6.813 1.00 0.33 N ATOM 1710 CA THR A 149 1.910 9.622 8.123 1.00 0.31 C ATOM 1711 C THR A 149 0.866 8.933 8.977 1.00 0.28 C ATOM 1712 O THR A 149 -0.308 8.992 8.654 1.00 0.29 O ATOM 1713 CB THR A 149 2.382 10.898 8.831 1.00 0.34 C ATOM 1714 OG1 THR A 149 1.401 11.928 8.671 1.00 0.37 O ATOM 1715 CG2 THR A 149 3.711 11.359 8.260 1.00 0.40 C ATOM 0 H THR A 149 1.284 10.915 6.607 1.00 0.33 H new ATOM 0 HA THR A 149 2.765 8.960 7.986 1.00 0.31 H new ATOM 0 HB THR A 149 2.513 10.684 9.892 1.00 0.34 H new ATOM 0 HG1 THR A 149 1.704 12.742 9.126 1.00 0.37 H new ATOM 0 HG21 THR A 149 4.033 12.266 8.773 1.00 0.40 H new ATOM 0 HG22 THR A 149 4.458 10.578 8.401 1.00 0.40 H new ATOM 0 HG23 THR A 149 3.598 11.565 7.196 1.00 0.40 H new ATOM 1723 N LYS A 150 1.271 8.296 10.061 1.00 0.31 N ATOM 1724 CA LYS A 150 0.306 7.666 10.955 1.00 0.34 C ATOM 1725 C LYS A 150 -0.699 8.703 11.437 1.00 0.31 C ATOM 1726 O LYS A 150 -1.862 8.392 11.704 1.00 0.39 O ATOM 1727 CB LYS A 150 1.017 7.010 12.131 1.00 0.41 C ATOM 1728 CG LYS A 150 1.981 5.924 11.719 1.00 0.63 C ATOM 1729 CD LYS A 150 2.567 5.225 12.928 1.00 1.48 C ATOM 1730 CE LYS A 150 3.398 6.171 13.775 1.00 2.24 C ATOM 1731 NZ LYS A 150 4.726 6.447 13.167 1.00 3.02 N ATOM 0 H LYS A 150 2.246 8.200 10.344 1.00 0.31 H new ATOM 0 HA LYS A 150 -0.229 6.887 10.412 1.00 0.34 H new ATOM 0 HB2 LYS A 150 1.558 7.773 12.690 1.00 0.41 H new ATOM 0 HB3 LYS A 150 0.273 6.588 12.806 1.00 0.41 H new ATOM 0 HG2 LYS A 150 1.467 5.198 11.089 1.00 0.63 H new ATOM 0 HG3 LYS A 150 2.783 6.354 11.120 1.00 0.63 H new ATOM 0 HD2 LYS A 150 1.762 4.807 13.532 1.00 1.48 H new ATOM 0 HD3 LYS A 150 3.186 4.390 12.601 1.00 1.48 H new ATOM 0 HE2 LYS A 150 2.858 7.109 13.906 1.00 2.24 H new ATOM 0 HE3 LYS A 150 3.536 5.742 14.767 1.00 2.24 H new ATOM 0 HZ1 LYS A 150 4.911 7.470 13.187 1.00 3.02 H new ATOM 0 HZ2 LYS A 150 5.464 5.951 13.706 1.00 3.02 H new ATOM 0 HZ3 LYS A 150 4.733 6.113 12.182 1.00 3.02 H new ATOM 1745 N GLU A 151 -0.241 9.945 11.513 1.00 0.29 N ATOM 1746 CA GLU A 151 -1.110 11.058 11.826 1.00 0.34 C ATOM 1747 C GLU A 151 -2.022 11.382 10.647 1.00 0.36 C ATOM 1748 O GLU A 151 -3.239 11.500 10.804 1.00 0.48 O ATOM 1749 CB GLU A 151 -0.284 12.286 12.202 1.00 0.44 C ATOM 1750 CG GLU A 151 0.552 12.097 13.451 1.00 0.56 C ATOM 1751 CD GLU A 151 1.480 13.261 13.709 1.00 1.01 C ATOM 1752 OE1 GLU A 151 0.995 14.324 14.144 1.00 1.19 O ATOM 1753 OE2 GLU A 151 2.700 13.122 13.488 1.00 1.36 O ATOM 0 H GLU A 151 0.734 10.202 11.360 1.00 0.29 H new ATOM 0 HA GLU A 151 -1.732 10.776 12.676 1.00 0.34 H new ATOM 0 HB2 GLU A 151 0.373 12.540 11.370 1.00 0.44 H new ATOM 0 HB3 GLU A 151 -0.954 13.133 12.349 1.00 0.44 H new ATOM 0 HG2 GLU A 151 -0.107 11.965 14.309 1.00 0.56 H new ATOM 0 HG3 GLU A 151 1.139 11.183 13.357 1.00 0.56 H new ATOM 1760 N GLU A 152 -1.432 11.494 9.460 1.00 0.34 N ATOM 1761 CA GLU A 152 -2.178 11.882 8.272 1.00 0.40 C ATOM 1762 C GLU A 152 -3.115 10.784 7.827 1.00 0.40 C ATOM 1763 O GLU A 152 -4.132 11.056 7.222 1.00 0.50 O ATOM 1764 CB GLU A 152 -1.246 12.227 7.122 1.00 0.44 C ATOM 1765 CG GLU A 152 -1.942 12.964 5.993 1.00 0.54 C ATOM 1766 CD GLU A 152 -0.985 13.763 5.131 1.00 0.67 C ATOM 1767 OE1 GLU A 152 -0.329 13.170 4.250 1.00 0.83 O ATOM 1768 OE2 GLU A 152 -0.872 14.988 5.338 1.00 0.76 O ATOM 0 H GLU A 152 -0.440 11.321 9.298 1.00 0.34 H new ATOM 0 HA GLU A 152 -2.759 12.764 8.542 1.00 0.40 H new ATOM 0 HB2 GLU A 152 -0.427 12.840 7.497 1.00 0.44 H new ATOM 0 HB3 GLU A 152 -0.805 11.310 6.732 1.00 0.44 H new ATOM 0 HG2 GLU A 152 -2.471 12.244 5.368 1.00 0.54 H new ATOM 0 HG3 GLU A 152 -2.692 13.635 6.412 1.00 0.54 H new ATOM 1775 N ILE A 153 -2.757 9.549 8.097 1.00 0.34 N ATOM 1776 CA ILE A 153 -3.622 8.434 7.767 1.00 0.35 C ATOM 1777 C ILE A 153 -4.972 8.607 8.442 1.00 0.39 C ATOM 1778 O ILE A 153 -6.021 8.496 7.808 1.00 0.43 O ATOM 1779 CB ILE A 153 -3.025 7.074 8.189 1.00 0.35 C ATOM 1780 CG1 ILE A 153 -1.759 6.774 7.398 1.00 0.39 C ATOM 1781 CG2 ILE A 153 -4.045 5.956 7.998 1.00 0.43 C ATOM 1782 CD1 ILE A 153 -1.096 5.478 7.799 1.00 0.47 C ATOM 0 H ILE A 153 -1.877 9.290 8.542 1.00 0.34 H new ATOM 0 HA ILE A 153 -3.731 8.431 6.682 1.00 0.35 H new ATOM 0 HB ILE A 153 -2.767 7.131 9.247 1.00 0.35 H new ATOM 0 HG12 ILE A 153 -2.003 6.736 6.336 1.00 0.39 H new ATOM 0 HG13 ILE A 153 -1.052 7.593 7.533 1.00 0.39 H new ATOM 0 HG21 ILE A 153 -3.605 5.006 8.301 1.00 0.43 H new ATOM 0 HG22 ILE A 153 -4.926 6.159 8.608 1.00 0.43 H new ATOM 0 HG23 ILE A 153 -4.335 5.903 6.949 1.00 0.43 H new ATOM 0 HD11 ILE A 153 -0.200 5.326 7.197 1.00 0.47 H new ATOM 0 HD12 ILE A 153 -0.821 5.521 8.853 1.00 0.47 H new ATOM 0 HD13 ILE A 153 -1.787 4.651 7.637 1.00 0.47 H new ATOM 1794 N LYS A 154 -4.933 8.902 9.732 1.00 0.42 N ATOM 1795 CA LYS A 154 -6.152 9.142 10.491 1.00 0.50 C ATOM 1796 C LYS A 154 -6.835 10.422 10.012 1.00 0.56 C ATOM 1797 O LYS A 154 -8.049 10.564 10.113 1.00 0.64 O ATOM 1798 CB LYS A 154 -5.831 9.226 11.985 1.00 0.57 C ATOM 1799 CG LYS A 154 -5.136 7.986 12.527 1.00 1.42 C ATOM 1800 CD LYS A 154 -4.749 8.156 13.986 1.00 1.77 C ATOM 1801 CE LYS A 154 -4.034 6.926 14.529 1.00 2.57 C ATOM 1802 NZ LYS A 154 -2.743 6.668 13.833 1.00 3.43 N ATOM 0 H LYS A 154 -4.073 8.981 10.275 1.00 0.42 H new ATOM 0 HA LYS A 154 -6.838 8.310 10.329 1.00 0.50 H new ATOM 0 HB2 LYS A 154 -5.198 10.095 12.164 1.00 0.57 H new ATOM 0 HB3 LYS A 154 -6.756 9.386 12.539 1.00 0.57 H new ATOM 0 HG2 LYS A 154 -5.795 7.124 12.423 1.00 1.42 H new ATOM 0 HG3 LYS A 154 -4.244 7.780 11.935 1.00 1.42 H new ATOM 0 HD2 LYS A 154 -4.103 9.028 14.091 1.00 1.77 H new ATOM 0 HD3 LYS A 154 -5.643 8.348 14.579 1.00 1.77 H new ATOM 0 HE2 LYS A 154 -3.849 7.057 15.595 1.00 2.57 H new ATOM 0 HE3 LYS A 154 -4.682 6.056 14.423 1.00 2.57 H new ATOM 0 HZ1 LYS A 154 -2.807 5.776 13.302 1.00 3.43 H new ATOM 0 HZ2 LYS A 154 -2.541 7.449 13.176 1.00 3.43 H new ATOM 0 HZ3 LYS A 154 -1.978 6.599 14.534 1.00 3.43 H new ATOM 1816 N ARG A 155 -6.040 11.345 9.482 1.00 0.54 N ATOM 1817 CA ARG A 155 -6.561 12.567 8.880 1.00 0.63 C ATOM 1818 C ARG A 155 -7.235 12.258 7.540 1.00 0.66 C ATOM 1819 O ARG A 155 -8.304 12.781 7.229 1.00 0.80 O ATOM 1820 CB ARG A 155 -5.428 13.565 8.678 1.00 0.65 C ATOM 1821 CG ARG A 155 -5.852 14.859 8.010 1.00 1.21 C ATOM 1822 CD ARG A 155 -4.641 15.661 7.580 1.00 1.31 C ATOM 1823 NE ARG A 155 -5.013 16.909 6.916 1.00 2.28 N ATOM 1824 CZ ARG A 155 -4.165 17.676 6.231 1.00 2.71 C ATOM 1825 NH1 ARG A 155 -2.901 17.301 6.065 1.00 2.34 N ATOM 1826 NH2 ARG A 155 -4.590 18.814 5.696 1.00 3.70 N ATOM 0 H ARG A 155 -5.023 11.269 9.457 1.00 0.54 H new ATOM 0 HA ARG A 155 -7.305 13.000 9.549 1.00 0.63 H new ATOM 0 HB2 ARG A 155 -4.986 13.797 9.647 1.00 0.65 H new ATOM 0 HB3 ARG A 155 -4.649 13.097 8.076 1.00 0.65 H new ATOM 0 HG2 ARG A 155 -6.475 14.639 7.143 1.00 1.21 H new ATOM 0 HG3 ARG A 155 -6.459 15.448 8.698 1.00 1.21 H new ATOM 0 HD2 ARG A 155 -4.027 15.885 8.452 1.00 1.31 H new ATOM 0 HD3 ARG A 155 -4.030 15.061 6.906 1.00 1.31 H new ATOM 0 HE ARG A 155 -5.985 17.213 6.981 1.00 2.28 H new ATOM 0 HH11 ARG A 155 -2.574 16.421 6.463 1.00 2.34 H new ATOM 0 HH12 ARG A 155 -2.258 17.893 5.540 1.00 2.34 H new ATOM 0 HH21 ARG A 155 -5.563 19.099 5.810 1.00 3.70 H new ATOM 0 HH22 ARG A 155 -3.944 19.403 5.171 1.00 3.70 H new ATOM 1840 N GLN A 156 -6.593 11.404 6.755 1.00 0.58 N ATOM 1841 CA GLN A 156 -7.100 10.999 5.456 1.00 0.70 C ATOM 1842 C GLN A 156 -8.368 10.163 5.592 1.00 0.67 C ATOM 1843 O GLN A 156 -9.249 10.212 4.734 1.00 0.80 O ATOM 1844 CB GLN A 156 -6.042 10.207 4.694 1.00 0.77 C ATOM 1845 CG GLN A 156 -4.876 11.051 4.202 1.00 0.85 C ATOM 1846 CD GLN A 156 -5.322 12.384 3.638 1.00 1.05 C ATOM 1847 OE1 GLN A 156 -5.414 13.383 4.353 1.00 1.88 O ATOM 1848 NE2 GLN A 156 -5.605 12.404 2.348 1.00 0.92 N ATOM 0 H GLN A 156 -5.703 10.972 7.004 1.00 0.58 H new ATOM 0 HA GLN A 156 -7.342 11.905 4.900 1.00 0.70 H new ATOM 0 HB2 GLN A 156 -5.659 9.417 5.340 1.00 0.77 H new ATOM 0 HB3 GLN A 156 -6.512 9.721 3.839 1.00 0.77 H new ATOM 0 HG2 GLN A 156 -4.183 11.222 5.026 1.00 0.85 H new ATOM 0 HG3 GLN A 156 -4.331 10.500 3.436 1.00 0.85 H new ATOM 0 HE21 GLN A 156 -5.515 11.553 1.793 1.00 0.92 H new ATOM 0 HE22 GLN A 156 -5.914 13.270 1.907 1.00 0.92 H new ATOM 1857 N LYS A 157 -8.459 9.406 6.682 1.00 0.55 N ATOM 1858 CA LYS A 157 -9.586 8.505 6.893 1.00 0.54 C ATOM 1859 C LYS A 157 -10.818 9.255 7.399 1.00 0.62 C ATOM 1860 O LYS A 157 -11.857 8.650 7.667 1.00 0.67 O ATOM 1861 CB LYS A 157 -9.216 7.367 7.848 1.00 0.50 C ATOM 1862 CG LYS A 157 -9.195 7.758 9.308 1.00 0.81 C ATOM 1863 CD LYS A 157 -9.088 6.532 10.201 1.00 1.02 C ATOM 1864 CE LYS A 157 -7.913 5.651 9.801 1.00 0.68 C ATOM 1865 NZ LYS A 157 -7.790 4.453 10.672 1.00 0.90 N ATOM 0 H LYS A 157 -7.767 9.399 7.431 1.00 0.55 H new ATOM 0 HA LYS A 157 -9.835 8.069 5.926 1.00 0.54 H new ATOM 0 HB2 LYS A 157 -9.926 6.551 7.713 1.00 0.50 H new ATOM 0 HB3 LYS A 157 -8.233 6.983 7.573 1.00 0.50 H new ATOM 0 HG2 LYS A 157 -8.353 8.424 9.497 1.00 0.81 H new ATOM 0 HG3 LYS A 157 -10.101 8.312 9.552 1.00 0.81 H new ATOM 0 HD2 LYS A 157 -8.972 6.845 11.239 1.00 1.02 H new ATOM 0 HD3 LYS A 157 -10.012 5.957 10.143 1.00 1.02 H new ATOM 0 HE2 LYS A 157 -8.034 5.334 8.765 1.00 0.68 H new ATOM 0 HE3 LYS A 157 -6.992 6.231 9.851 1.00 0.68 H new ATOM 0 HZ1 LYS A 157 -6.977 3.882 10.364 1.00 0.90 H new ATOM 0 HZ2 LYS A 157 -7.648 4.753 11.658 1.00 0.90 H new ATOM 0 HZ3 LYS A 157 -8.658 3.884 10.605 1.00 0.90 H new ATOM 1879 N GLN A 158 -10.698 10.565 7.558 1.00 0.74 N ATOM 1880 CA GLN A 158 -11.832 11.389 7.929 1.00 0.91 C ATOM 1881 C GLN A 158 -12.691 11.670 6.702 1.00 1.15 C ATOM 1882 O GLN A 158 -13.686 10.947 6.487 1.00 1.78 O ATOM 1883 CB GLN A 158 -11.355 12.699 8.544 1.00 1.18 C ATOM 1884 CG GLN A 158 -10.448 12.518 9.746 1.00 1.48 C ATOM 1885 CD GLN A 158 -10.054 13.836 10.377 1.00 1.88 C ATOM 1886 OE1 GLN A 158 -9.056 14.451 10.000 1.00 2.12 O ATOM 1887 NE2 GLN A 158 -10.834 14.276 11.348 1.00 2.52 N ATOM 0 H GLN A 158 -9.825 11.078 7.435 1.00 0.74 H new ATOM 0 HA GLN A 158 -12.429 10.854 8.668 1.00 0.91 H new ATOM 0 HB2 GLN A 158 -10.825 13.274 7.785 1.00 1.18 H new ATOM 0 HB3 GLN A 158 -12.223 13.287 8.841 1.00 1.18 H new ATOM 0 HG2 GLN A 158 -10.953 11.900 10.488 1.00 1.48 H new ATOM 0 HG3 GLN A 158 -9.549 11.981 9.442 1.00 1.48 H new ATOM 0 HE21 GLN A 158 -11.652 13.735 11.630 1.00 2.52 H new ATOM 0 HE22 GLN A 158 -10.619 15.156 11.816 1.00 2.52 H new