USER MOD reduce.3.24.130724 H: found=0, std=0, add=888, rem=0, adj=33 USER MOD reduce.3.24.130724 removed 890 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 35 HIS :FLIP no HE2:sc= -0.96 F(o=-1.7,f=-0.96) USER MOD Set 1.2: A 124 TYR OH : rot 180:sc= 0 USER MOD Set 2.1: A 117 TYR OH : rot -128:sc= 1.17 USER MOD Set 2.2: A 119 CYS SG : rot -136:sc= -1.9! USER MOD Set 3.1: A 40 ASN : amide:sc= 0.896 K(o=1.9,f=-3.8!) USER MOD Set 3.2: A 51 THR OG1 : rot -92:sc= 1.04 USER MOD Single : A 12 SER OG : rot 180:sc= 0 USER MOD Single : A 18 SER OG : rot 180:sc= 0 USER MOD Single : A 19 GLN : amide:sc= 0 X(o=0,f=-0.063) USER MOD Single : A 21 SER OG : rot 180:sc= 0 USER MOD Single : A 24 TYR OH : rot 180:sc= 0 USER MOD Single : A 29 ASN :FLIP amide:sc= -0.515 F(o=-1.3,f=-0.51) USER MOD Single : A 32 GLN : amide:sc= 0 K(o=0,f=-0.96) USER MOD Single : A 37 CYS SG : rot -105:sc= 0.782 USER MOD Single : A 41 CYS SG : rot 180:sc= 0 USER MOD Single : A 44 LYS NZ :NH3+ -152:sc= -5.16! (180deg=-7.38!) USER MOD Single : A 46 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 53 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 55 GLN : amide:sc= -0.977 K(o=-0.98,f=-4.5!) USER MOD Single : A 56 ASN : amide:sc= 0.115 X(o=0.11,f=0.15) USER MOD Single : A 61 LYS NZ :NH3+ 179:sc= 0 (180deg=-0.003) USER MOD Single : A 62 THR OG1 : rot 180:sc= 0 USER MOD Single : A 64 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 67 MET CE :methyl -127:sc= -0.0946 (180deg=-0.531) USER MOD Single : A 68 THR OG1 : rot 110:sc= -0.242 USER MOD Single : A 71 THR OG1 : rot 180:sc= 0 USER MOD Single : A 73 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 74 SER OG : rot 180:sc= 0 USER MOD Single : A 75 TYR OH : rot 180:sc= 0 USER MOD Single : A 76 THR OG1 : rot 180:sc= 0 USER MOD Single : A 80 CYS SG : rot -144:sc= -3.53! USER MOD Single : A 81 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 82 TYR OH : rot 180:sc= 0 USER MOD Single : A 94 THR OG1 : rot 180:sc= -1.45 USER MOD Single : A 96 SER OG : rot 180:sc= -0.104 USER MOD Single : A 100 SER OG : rot 180:sc= 0 USER MOD Single : A 111 MET CE :methyl -118:sc= -0.234 (180deg=-2.5) USER MOD Single : A 116 TYR OH : rot 180:sc= -0.16 USER MOD Single : A 120 ASN :FLIP amide:sc= -1.98 F(o=-5.4!,f=-2) USER MOD Single : A 122 GLN : amide:sc= -0.13 X(o=-0.13,f=0.17) USER MOD Single : A 123 THR OG1 : rot 180:sc= -0.0139 USER MOD Single : A 127 SER OG : rot 50:sc= 0.662 USER MOD Single : A 128 ASN : amide:sc= -8.25! C(o=-8.2!,f=-7.9!) USER MOD Single : A 131 LYS NZ :NH3+ -173:sc=-0.00193 (180deg=-0.0661) USER MOD Single : A 132 ASN : amide:sc= -8.62! C(o=-8.6!,f=-10!) USER MOD Single : A 133 TYR OH : rot -173:sc= 0.00746 USER MOD ----------------------------------------------------------------- ATOM 117 N SER A 12 -0.014 12.714 -12.588 1.00 0.00 N ATOM 118 CA SER A 12 -0.228 11.506 -11.799 1.00 0.00 C ATOM 119 C SER A 12 0.727 11.459 -10.610 1.00 0.00 C ATOM 120 O SER A 12 1.693 12.220 -10.543 1.00 0.00 O ATOM 121 CB SER A 12 -0.039 10.263 -12.669 1.00 0.00 C ATOM 122 OG SER A 12 -1.187 10.016 -13.462 1.00 0.00 O ATOM 0 HA SER A 12 -1.250 11.524 -11.422 1.00 0.00 H new ATOM 0 HB2 SER A 12 0.830 10.395 -13.313 1.00 0.00 H new ATOM 0 HB3 SER A 12 0.162 9.399 -12.036 1.00 0.00 H new ATOM 0 HG SER A 12 -1.040 9.217 -14.010 1.00 0.00 H new ATOM 128 N PHE A 13 0.450 10.559 -9.672 1.00 0.00 N ATOM 129 CA PHE A 13 1.283 10.411 -8.484 1.00 0.00 C ATOM 130 C PHE A 13 1.990 9.058 -8.480 1.00 0.00 C ATOM 131 O PHE A 13 1.600 8.140 -9.201 1.00 0.00 O ATOM 132 CB PHE A 13 0.435 10.559 -7.219 1.00 0.00 C ATOM 133 CG PHE A 13 -0.153 11.931 -7.049 1.00 0.00 C ATOM 134 CD1 PHE A 13 -1.263 12.319 -7.782 1.00 0.00 C ATOM 135 CD2 PHE A 13 0.405 12.832 -6.157 1.00 0.00 C ATOM 136 CE1 PHE A 13 -1.806 13.581 -7.628 1.00 0.00 C ATOM 137 CE2 PHE A 13 -0.134 14.096 -5.998 1.00 0.00 C ATOM 138 CZ PHE A 13 -1.241 14.470 -6.734 1.00 0.00 C ATOM 0 H PHE A 13 -0.345 9.921 -9.712 1.00 0.00 H new ATOM 0 HA PHE A 13 2.039 11.196 -8.501 1.00 0.00 H new ATOM 0 HB2 PHE A 13 -0.372 9.827 -7.245 1.00 0.00 H new ATOM 0 HB3 PHE A 13 1.050 10.325 -6.350 1.00 0.00 H new ATOM 0 HD1 PHE A 13 -1.709 11.628 -8.482 1.00 0.00 H new ATOM 0 HD2 PHE A 13 1.271 12.544 -5.579 1.00 0.00 H new ATOM 0 HE1 PHE A 13 -2.671 13.872 -8.206 1.00 0.00 H new ATOM 0 HE2 PHE A 13 0.310 14.789 -5.299 1.00 0.00 H new ATOM 0 HZ PHE A 13 -1.664 15.456 -6.611 1.00 0.00 H new ATOM 148 N VAL A 14 3.032 8.945 -7.663 1.00 0.00 N ATOM 149 CA VAL A 14 3.794 7.706 -7.564 1.00 0.00 C ATOM 150 C VAL A 14 4.005 7.305 -6.108 1.00 0.00 C ATOM 151 O VAL A 14 3.537 7.983 -5.192 1.00 0.00 O ATOM 152 CB VAL A 14 5.165 7.833 -8.254 1.00 0.00 C ATOM 153 CG1 VAL A 14 4.997 7.930 -9.763 1.00 0.00 C ATOM 154 CG2 VAL A 14 5.922 9.038 -7.716 1.00 0.00 C ATOM 0 H VAL A 14 3.368 9.696 -7.060 1.00 0.00 H new ATOM 0 HA VAL A 14 3.212 6.936 -8.069 1.00 0.00 H new ATOM 0 HB VAL A 14 5.747 6.938 -8.034 1.00 0.00 H new ATOM 0 HG11 VAL A 14 5.976 8.019 -10.233 1.00 0.00 H new ATOM 0 HG12 VAL A 14 4.498 7.034 -10.132 1.00 0.00 H new ATOM 0 HG13 VAL A 14 4.396 8.806 -10.007 1.00 0.00 H new ATOM 0 HG21 VAL A 14 6.889 9.113 -8.214 1.00 0.00 H new ATOM 0 HG22 VAL A 14 5.346 9.944 -7.905 1.00 0.00 H new ATOM 0 HG23 VAL A 14 6.075 8.922 -6.643 1.00 0.00 H new ATOM 164 N LEU A 15 4.713 6.201 -5.901 1.00 0.00 N ATOM 165 CA LEU A 15 4.988 5.709 -4.555 1.00 0.00 C ATOM 166 C LEU A 15 6.451 5.928 -4.184 1.00 0.00 C ATOM 167 O LEU A 15 7.352 5.638 -4.970 1.00 0.00 O ATOM 168 CB LEU A 15 4.641 4.223 -4.454 1.00 0.00 C ATOM 169 CG LEU A 15 3.232 3.830 -4.897 1.00 0.00 C ATOM 170 CD1 LEU A 15 3.191 2.368 -5.313 1.00 0.00 C ATOM 171 CD2 LEU A 15 2.228 4.099 -3.786 1.00 0.00 C ATOM 0 H LEU A 15 5.107 5.629 -6.648 1.00 0.00 H new ATOM 0 HA LEU A 15 4.367 6.269 -3.856 1.00 0.00 H new ATOM 0 HB2 LEU A 15 5.358 3.662 -5.053 1.00 0.00 H new ATOM 0 HB3 LEU A 15 4.775 3.909 -3.419 1.00 0.00 H new ATOM 0 HG LEU A 15 2.961 4.439 -5.759 1.00 0.00 H new ATOM 0 HD11 LEU A 15 2.180 2.107 -5.625 1.00 0.00 H new ATOM 0 HD12 LEU A 15 3.880 2.206 -6.142 1.00 0.00 H new ATOM 0 HD13 LEU A 15 3.484 1.742 -4.470 1.00 0.00 H new ATOM 0 HD21 LEU A 15 1.231 3.813 -4.120 1.00 0.00 H new ATOM 0 HD22 LEU A 15 2.496 3.517 -2.904 1.00 0.00 H new ATOM 0 HD23 LEU A 15 2.237 5.160 -3.537 1.00 0.00 H new ATOM 183 N ASP A 16 6.680 6.441 -2.980 1.00 0.00 N ATOM 184 CA ASP A 16 8.034 6.696 -2.501 1.00 0.00 C ATOM 185 C ASP A 16 8.627 5.446 -1.859 1.00 0.00 C ATOM 186 O ASP A 16 9.438 5.535 -0.937 1.00 0.00 O ATOM 187 CB ASP A 16 8.034 7.850 -1.498 1.00 0.00 C ATOM 188 CG ASP A 16 9.435 8.314 -1.149 1.00 0.00 C ATOM 189 OD1 ASP A 16 10.186 8.679 -2.077 1.00 0.00 O ATOM 190 OD2 ASP A 16 9.779 8.310 0.051 1.00 0.00 O ATOM 0 H ASP A 16 5.945 6.689 -2.317 1.00 0.00 H new ATOM 0 HA ASP A 16 8.651 6.970 -3.357 1.00 0.00 H new ATOM 0 HB2 ASP A 16 7.470 8.686 -1.911 1.00 0.00 H new ATOM 0 HB3 ASP A 16 7.521 7.537 -0.589 1.00 0.00 H new ATOM 195 N PHE A 17 8.218 4.282 -2.352 1.00 0.00 N ATOM 196 CA PHE A 17 8.707 3.014 -1.824 1.00 0.00 C ATOM 197 C PHE A 17 8.801 1.965 -2.929 1.00 0.00 C ATOM 198 O PHE A 17 7.999 1.959 -3.863 1.00 0.00 O ATOM 199 CB PHE A 17 7.790 2.513 -0.707 1.00 0.00 C ATOM 200 CG PHE A 17 6.348 2.410 -1.116 1.00 0.00 C ATOM 201 CD1 PHE A 17 5.895 1.316 -1.834 1.00 0.00 C ATOM 202 CD2 PHE A 17 5.447 3.408 -0.782 1.00 0.00 C ATOM 203 CE1 PHE A 17 4.569 1.217 -2.212 1.00 0.00 C ATOM 204 CE2 PHE A 17 4.120 3.314 -1.156 1.00 0.00 C ATOM 205 CZ PHE A 17 3.681 2.218 -1.873 1.00 0.00 C ATOM 0 H PHE A 17 7.549 4.191 -3.117 1.00 0.00 H new ATOM 0 HA PHE A 17 9.705 3.180 -1.418 1.00 0.00 H new ATOM 0 HB2 PHE A 17 8.136 1.534 -0.375 1.00 0.00 H new ATOM 0 HB3 PHE A 17 7.870 3.186 0.147 1.00 0.00 H new ATOM 0 HD1 PHE A 17 6.586 0.531 -2.102 1.00 0.00 H new ATOM 0 HD2 PHE A 17 5.785 4.268 -0.224 1.00 0.00 H new ATOM 0 HE1 PHE A 17 4.228 0.358 -2.771 1.00 0.00 H new ATOM 0 HE2 PHE A 17 3.426 4.097 -0.888 1.00 0.00 H new ATOM 0 HZ PHE A 17 2.645 2.144 -2.168 1.00 0.00 H new ATOM 215 N SER A 18 9.786 1.080 -2.815 1.00 0.00 N ATOM 216 CA SER A 18 9.988 0.029 -3.805 1.00 0.00 C ATOM 217 C SER A 18 9.056 -1.150 -3.543 1.00 0.00 C ATOM 218 O SER A 18 8.880 -1.573 -2.401 1.00 0.00 O ATOM 219 CB SER A 18 11.443 -0.442 -3.790 1.00 0.00 C ATOM 220 OG SER A 18 12.317 0.585 -4.224 1.00 0.00 O ATOM 0 H SER A 18 10.457 1.070 -2.047 1.00 0.00 H new ATOM 0 HA SER A 18 9.757 0.440 -4.788 1.00 0.00 H new ATOM 0 HB2 SER A 18 11.717 -0.755 -2.782 1.00 0.00 H new ATOM 0 HB3 SER A 18 11.553 -1.314 -4.435 1.00 0.00 H new ATOM 0 HG SER A 18 13.241 0.259 -4.203 1.00 0.00 H new ATOM 226 N GLN A 19 8.463 -1.676 -4.610 1.00 0.00 N ATOM 227 CA GLN A 19 7.549 -2.806 -4.496 1.00 0.00 C ATOM 228 C GLN A 19 8.062 -3.820 -3.478 1.00 0.00 C ATOM 229 O GLN A 19 9.221 -4.233 -3.507 1.00 0.00 O ATOM 230 CB GLN A 19 7.365 -3.480 -5.857 1.00 0.00 C ATOM 231 CG GLN A 19 6.843 -2.543 -6.934 1.00 0.00 C ATOM 232 CD GLN A 19 5.333 -2.404 -6.904 1.00 0.00 C ATOM 233 OE1 GLN A 19 4.606 -3.337 -7.247 1.00 0.00 O ATOM 234 NE2 GLN A 19 4.854 -1.236 -6.494 1.00 0.00 N ATOM 0 H GLN A 19 8.599 -1.338 -5.563 1.00 0.00 H new ATOM 0 HA GLN A 19 6.586 -2.429 -4.153 1.00 0.00 H new ATOM 0 HB2 GLN A 19 8.320 -3.895 -6.180 1.00 0.00 H new ATOM 0 HB3 GLN A 19 6.674 -4.316 -5.749 1.00 0.00 H new ATOM 0 HG2 GLN A 19 7.297 -1.560 -6.807 1.00 0.00 H new ATOM 0 HG3 GLN A 19 7.151 -2.912 -7.912 1.00 0.00 H new ATOM 0 HE21 GLN A 19 5.494 -0.491 -6.219 1.00 0.00 H new ATOM 0 HE22 GLN A 19 3.846 -1.084 -6.454 1.00 0.00 H new ATOM 243 N PRO A 20 7.179 -4.232 -2.557 1.00 0.00 N ATOM 244 CA PRO A 20 7.519 -5.203 -1.513 1.00 0.00 C ATOM 245 C PRO A 20 7.736 -6.605 -2.073 1.00 0.00 C ATOM 246 O PRO A 20 8.631 -7.327 -1.634 1.00 0.00 O ATOM 247 CB PRO A 20 6.296 -5.179 -0.593 1.00 0.00 C ATOM 248 CG PRO A 20 5.174 -4.731 -1.466 1.00 0.00 C ATOM 249 CD PRO A 20 5.779 -3.782 -2.463 1.00 0.00 C ATOM 0 HA PRO A 20 8.453 -4.950 -1.011 1.00 0.00 H new ATOM 0 HB2 PRO A 20 6.099 -6.164 -0.170 1.00 0.00 H new ATOM 0 HB3 PRO A 20 6.443 -4.496 0.244 1.00 0.00 H new ATOM 0 HG2 PRO A 20 4.707 -5.579 -1.968 1.00 0.00 H new ATOM 0 HG3 PRO A 20 4.397 -4.239 -0.881 1.00 0.00 H new ATOM 0 HD2 PRO A 20 5.274 -3.837 -3.427 1.00 0.00 H new ATOM 0 HD3 PRO A 20 5.711 -2.748 -2.126 1.00 0.00 H new ATOM 257 N SER A 21 6.912 -6.983 -3.045 1.00 0.00 N ATOM 258 CA SER A 21 7.013 -8.300 -3.664 1.00 0.00 C ATOM 259 C SER A 21 8.425 -8.548 -4.186 1.00 0.00 C ATOM 260 O SER A 21 8.925 -9.672 -4.145 1.00 0.00 O ATOM 261 CB SER A 21 6.004 -8.428 -4.806 1.00 0.00 C ATOM 262 OG SER A 21 6.276 -7.492 -5.835 1.00 0.00 O ATOM 0 H SER A 21 6.167 -6.396 -3.421 1.00 0.00 H new ATOM 0 HA SER A 21 6.789 -9.050 -2.905 1.00 0.00 H new ATOM 0 HB2 SER A 21 6.036 -9.439 -5.212 1.00 0.00 H new ATOM 0 HB3 SER A 21 4.996 -8.270 -4.424 1.00 0.00 H new ATOM 0 HG SER A 21 5.618 -7.596 -6.554 1.00 0.00 H new ATOM 268 N ALA A 22 9.061 -7.490 -4.678 1.00 0.00 N ATOM 269 CA ALA A 22 10.415 -7.592 -5.208 1.00 0.00 C ATOM 270 C ALA A 22 11.229 -8.628 -4.439 1.00 0.00 C ATOM 271 O ALA A 22 11.978 -9.406 -5.030 1.00 0.00 O ATOM 272 CB ALA A 22 11.104 -6.236 -5.160 1.00 0.00 C ATOM 0 H ALA A 22 8.661 -6.553 -4.721 1.00 0.00 H new ATOM 0 HA ALA A 22 10.349 -7.917 -6.246 1.00 0.00 H new ATOM 0 HB1 ALA A 22 12.114 -6.327 -5.559 1.00 0.00 H new ATOM 0 HB2 ALA A 22 10.541 -5.520 -5.759 1.00 0.00 H new ATOM 0 HB3 ALA A 22 11.151 -5.888 -4.128 1.00 0.00 H new ATOM 278 N ASP A 23 11.077 -8.632 -3.120 1.00 0.00 N ATOM 279 CA ASP A 23 11.798 -9.573 -2.270 1.00 0.00 C ATOM 280 C ASP A 23 10.856 -10.641 -1.722 1.00 0.00 C ATOM 281 O ASP A 23 10.101 -10.393 -0.781 1.00 0.00 O ATOM 282 CB ASP A 23 12.478 -8.834 -1.117 1.00 0.00 C ATOM 283 CG ASP A 23 13.562 -7.888 -1.595 1.00 0.00 C ATOM 284 OD1 ASP A 23 14.698 -8.353 -1.822 1.00 0.00 O ATOM 285 OD2 ASP A 23 13.273 -6.682 -1.742 1.00 0.00 O ATOM 0 H ASP A 23 10.461 -7.994 -2.615 1.00 0.00 H new ATOM 0 HA ASP A 23 12.560 -10.063 -2.876 1.00 0.00 H new ATOM 0 HB2 ASP A 23 11.730 -8.272 -0.558 1.00 0.00 H new ATOM 0 HB3 ASP A 23 12.911 -9.560 -0.429 1.00 0.00 H new ATOM 290 N TYR A 24 10.906 -11.828 -2.316 1.00 0.00 N ATOM 291 CA TYR A 24 10.055 -12.933 -1.889 1.00 0.00 C ATOM 292 C TYR A 24 10.321 -13.293 -0.431 1.00 0.00 C ATOM 293 O TYR A 24 9.396 -13.590 0.327 1.00 0.00 O ATOM 294 CB TYR A 24 10.287 -14.155 -2.778 1.00 0.00 C ATOM 295 CG TYR A 24 9.431 -15.345 -2.407 1.00 0.00 C ATOM 296 CD1 TYR A 24 9.616 -16.010 -1.202 1.00 0.00 C ATOM 297 CD2 TYR A 24 8.436 -15.803 -3.263 1.00 0.00 C ATOM 298 CE1 TYR A 24 8.836 -17.098 -0.859 1.00 0.00 C ATOM 299 CE2 TYR A 24 7.651 -16.889 -2.928 1.00 0.00 C ATOM 300 CZ TYR A 24 7.855 -17.533 -1.725 1.00 0.00 C ATOM 301 OH TYR A 24 7.075 -18.616 -1.387 1.00 0.00 O ATOM 0 H TYR A 24 11.527 -12.050 -3.094 1.00 0.00 H new ATOM 0 HA TYR A 24 9.016 -12.616 -1.982 1.00 0.00 H new ATOM 0 HB2 TYR A 24 10.087 -13.883 -3.814 1.00 0.00 H new ATOM 0 HB3 TYR A 24 11.337 -14.441 -2.721 1.00 0.00 H new ATOM 0 HD1 TYR A 24 10.383 -15.671 -0.521 1.00 0.00 H new ATOM 0 HD2 TYR A 24 8.274 -15.301 -4.206 1.00 0.00 H new ATOM 0 HE1 TYR A 24 8.994 -17.605 0.082 1.00 0.00 H new ATOM 0 HE2 TYR A 24 6.882 -17.232 -3.604 1.00 0.00 H new ATOM 0 HH TYR A 24 6.431 -18.792 -2.105 1.00 0.00 H new ATOM 311 N LEU A 25 11.591 -13.265 -0.043 1.00 0.00 N ATOM 312 CA LEU A 25 11.981 -13.587 1.325 1.00 0.00 C ATOM 313 C LEU A 25 11.592 -12.465 2.282 1.00 0.00 C ATOM 314 O LEU A 25 10.774 -12.659 3.182 1.00 0.00 O ATOM 315 CB LEU A 25 13.489 -13.837 1.401 1.00 0.00 C ATOM 316 CG LEU A 25 13.942 -15.280 1.177 1.00 0.00 C ATOM 317 CD1 LEU A 25 13.232 -16.218 2.141 1.00 0.00 C ATOM 318 CD2 LEU A 25 13.689 -15.702 -0.263 1.00 0.00 C ATOM 0 H LEU A 25 12.369 -13.022 -0.657 1.00 0.00 H new ATOM 0 HA LEU A 25 11.452 -14.493 1.623 1.00 0.00 H new ATOM 0 HB2 LEU A 25 13.980 -13.204 0.661 1.00 0.00 H new ATOM 0 HB3 LEU A 25 13.842 -13.514 2.381 1.00 0.00 H new ATOM 0 HG LEU A 25 15.014 -15.337 1.368 1.00 0.00 H new ATOM 0 HD11 LEU A 25 13.567 -17.241 1.967 1.00 0.00 H new ATOM 0 HD12 LEU A 25 13.464 -15.930 3.166 1.00 0.00 H new ATOM 0 HD13 LEU A 25 12.155 -16.157 1.982 1.00 0.00 H new ATOM 0 HD21 LEU A 25 14.018 -16.732 -0.403 1.00 0.00 H new ATOM 0 HD22 LEU A 25 12.624 -15.628 -0.482 1.00 0.00 H new ATOM 0 HD23 LEU A 25 14.244 -15.049 -0.936 1.00 0.00 H new ATOM 330 N ASP A 26 12.180 -11.291 2.079 1.00 0.00 N ATOM 331 CA ASP A 26 11.892 -10.136 2.921 1.00 0.00 C ATOM 332 C ASP A 26 10.389 -9.894 3.016 1.00 0.00 C ATOM 333 O ASP A 26 9.908 -9.273 3.964 1.00 0.00 O ATOM 334 CB ASP A 26 12.589 -8.891 2.371 1.00 0.00 C ATOM 335 CG ASP A 26 12.432 -7.689 3.283 1.00 0.00 C ATOM 336 OD1 ASP A 26 11.445 -6.943 3.116 1.00 0.00 O ATOM 337 OD2 ASP A 26 13.298 -7.495 4.162 1.00 0.00 O ATOM 0 H ASP A 26 12.859 -11.114 1.339 1.00 0.00 H new ATOM 0 HA ASP A 26 12.272 -10.343 3.922 1.00 0.00 H new ATOM 0 HB2 ASP A 26 13.649 -9.103 2.233 1.00 0.00 H new ATOM 0 HB3 ASP A 26 12.181 -8.654 1.389 1.00 0.00 H new ATOM 342 N PHE A 27 9.652 -10.387 2.026 1.00 0.00 N ATOM 343 CA PHE A 27 8.203 -10.222 1.996 1.00 0.00 C ATOM 344 C PHE A 27 7.517 -11.292 2.840 1.00 0.00 C ATOM 345 O PHE A 27 6.867 -10.986 3.841 1.00 0.00 O ATOM 346 CB PHE A 27 7.691 -10.286 0.556 1.00 0.00 C ATOM 347 CG PHE A 27 6.195 -10.380 0.455 1.00 0.00 C ATOM 348 CD1 PHE A 27 5.556 -11.605 0.554 1.00 0.00 C ATOM 349 CD2 PHE A 27 5.428 -9.242 0.262 1.00 0.00 C ATOM 350 CE1 PHE A 27 4.180 -11.695 0.462 1.00 0.00 C ATOM 351 CE2 PHE A 27 4.052 -9.326 0.170 1.00 0.00 C ATOM 352 CZ PHE A 27 3.427 -10.553 0.269 1.00 0.00 C ATOM 0 H PHE A 27 10.034 -10.904 1.234 1.00 0.00 H new ATOM 0 HA PHE A 27 7.964 -9.245 2.416 1.00 0.00 H new ATOM 0 HB2 PHE A 27 8.028 -9.399 0.019 1.00 0.00 H new ATOM 0 HB3 PHE A 27 8.136 -11.148 0.059 1.00 0.00 H new ATOM 0 HD1 PHE A 27 6.140 -12.501 0.705 1.00 0.00 H new ATOM 0 HD2 PHE A 27 5.911 -8.279 0.183 1.00 0.00 H new ATOM 0 HE1 PHE A 27 3.694 -12.656 0.541 1.00 0.00 H new ATOM 0 HE2 PHE A 27 3.465 -8.432 0.021 1.00 0.00 H new ATOM 0 HZ PHE A 27 2.352 -10.620 0.196 1.00 0.00 H new ATOM 362 N ARG A 28 7.665 -12.547 2.429 1.00 0.00 N ATOM 363 CA ARG A 28 7.059 -13.662 3.146 1.00 0.00 C ATOM 364 C ARG A 28 7.294 -13.537 4.648 1.00 0.00 C ATOM 365 O ARG A 28 6.434 -13.889 5.453 1.00 0.00 O ATOM 366 CB ARG A 28 7.625 -14.990 2.639 1.00 0.00 C ATOM 367 CG ARG A 28 8.888 -15.429 3.363 1.00 0.00 C ATOM 368 CD ARG A 28 9.280 -16.849 2.986 1.00 0.00 C ATOM 369 NE ARG A 28 10.308 -17.386 3.873 1.00 0.00 N ATOM 370 CZ ARG A 28 10.496 -18.685 4.079 1.00 0.00 C ATOM 371 NH1 ARG A 28 9.729 -19.575 3.464 1.00 0.00 N ATOM 372 NH2 ARG A 28 11.453 -19.097 4.901 1.00 0.00 N ATOM 0 H ARG A 28 8.199 -12.817 1.603 1.00 0.00 H new ATOM 0 HA ARG A 28 5.985 -13.638 2.962 1.00 0.00 H new ATOM 0 HB2 ARG A 28 6.866 -15.764 2.748 1.00 0.00 H new ATOM 0 HB3 ARG A 28 7.839 -14.901 1.574 1.00 0.00 H new ATOM 0 HG2 ARG A 28 9.704 -14.748 3.120 1.00 0.00 H new ATOM 0 HG3 ARG A 28 8.732 -15.367 4.440 1.00 0.00 H new ATOM 0 HD2 ARG A 28 8.399 -17.490 3.022 1.00 0.00 H new ATOM 0 HD3 ARG A 28 9.644 -16.864 1.959 1.00 0.00 H new ATOM 0 HE ARG A 28 10.915 -16.728 4.361 1.00 0.00 H new ATOM 0 HH11 ARG A 28 8.993 -19.263 2.831 1.00 0.00 H new ATOM 0 HH12 ARG A 28 9.876 -20.572 3.624 1.00 0.00 H new ATOM 0 HH21 ARG A 28 12.046 -18.416 5.376 1.00 0.00 H new ATOM 0 HH22 ARG A 28 11.596 -20.095 5.058 1.00 0.00 H new ATOM 386 N ASN A 29 8.467 -13.032 5.017 1.00 0.00 N ATOM 387 CA ASN A 29 8.817 -12.861 6.423 1.00 0.00 C ATOM 388 C ASN A 29 7.788 -11.990 7.137 1.00 0.00 C ATOM 389 O ASN A 29 7.469 -12.219 8.304 1.00 0.00 O ATOM 390 CB ASN A 29 10.208 -12.235 6.551 1.00 0.00 C ATOM 391 CG ASN A 29 11.318 -13.248 6.349 1.00 0.00 C ATOM 392 OD1 ASN A 29 12.144 -13.026 5.334 1.00 0.00 O flip ATOM 393 ND2 ASN A 29 11.431 -14.219 7.098 1.00 0.00 N flip ATOM 0 H ASN A 29 9.191 -12.734 4.363 1.00 0.00 H new ATOM 0 HA ASN A 29 8.823 -13.845 6.893 1.00 0.00 H new ATOM 0 HB2 ASN A 29 10.312 -11.435 5.818 1.00 0.00 H new ATOM 0 HB3 ASN A 29 10.310 -11.780 7.536 1.00 0.00 H new ATOM 0 HD21 ASN A 29 10.773 -14.350 7.866 1.00 0.00 H new ATOM 0 HD22 ASN A 29 12.183 -14.892 6.950 1.00 0.00 H new ATOM 400 N ARG A 30 7.272 -10.992 6.428 1.00 0.00 N ATOM 401 CA ARG A 30 6.279 -10.086 6.995 1.00 0.00 C ATOM 402 C ARG A 30 4.908 -10.754 7.059 1.00 0.00 C ATOM 403 O ARG A 30 4.113 -10.479 7.959 1.00 0.00 O ATOM 404 CB ARG A 30 6.195 -8.804 6.165 1.00 0.00 C ATOM 405 CG ARG A 30 7.547 -8.289 5.701 1.00 0.00 C ATOM 406 CD ARG A 30 8.397 -7.822 6.872 1.00 0.00 C ATOM 407 NE ARG A 30 8.906 -8.943 7.659 1.00 0.00 N ATOM 408 CZ ARG A 30 9.895 -8.833 8.539 1.00 0.00 C ATOM 409 NH1 ARG A 30 10.478 -7.660 8.744 1.00 0.00 N ATOM 410 NH2 ARG A 30 10.303 -9.898 9.217 1.00 0.00 N ATOM 0 H ARG A 30 7.524 -10.790 5.461 1.00 0.00 H new ATOM 0 HA ARG A 30 6.590 -9.835 8.009 1.00 0.00 H new ATOM 0 HB2 ARG A 30 5.567 -8.986 5.293 1.00 0.00 H new ATOM 0 HB3 ARG A 30 5.704 -8.030 6.756 1.00 0.00 H new ATOM 0 HG2 ARG A 30 8.072 -9.077 5.161 1.00 0.00 H new ATOM 0 HG3 ARG A 30 7.403 -7.465 5.003 1.00 0.00 H new ATOM 0 HD2 ARG A 30 9.234 -7.231 6.500 1.00 0.00 H new ATOM 0 HD3 ARG A 30 7.805 -7.169 7.512 1.00 0.00 H new ATOM 0 HE ARG A 30 8.479 -9.860 7.525 1.00 0.00 H new ATOM 0 HH11 ARG A 30 10.167 -6.839 8.225 1.00 0.00 H new ATOM 0 HH12 ARG A 30 11.237 -7.579 9.420 1.00 0.00 H new ATOM 0 HH21 ARG A 30 9.857 -10.802 9.063 1.00 0.00 H new ATOM 0 HH22 ARG A 30 11.063 -9.812 9.892 1.00 0.00 H new ATOM 424 N LEU A 31 4.638 -11.632 6.100 1.00 0.00 N ATOM 425 CA LEU A 31 3.363 -12.339 6.047 1.00 0.00 C ATOM 426 C LEU A 31 3.334 -13.486 7.053 1.00 0.00 C ATOM 427 O LEU A 31 2.290 -14.095 7.283 1.00 0.00 O ATOM 428 CB LEU A 31 3.114 -12.877 4.637 1.00 0.00 C ATOM 429 CG LEU A 31 1.752 -13.531 4.398 1.00 0.00 C ATOM 430 CD1 LEU A 31 0.662 -12.475 4.305 1.00 0.00 C ATOM 431 CD2 LEU A 31 1.783 -14.382 3.137 1.00 0.00 C ATOM 0 H LEU A 31 5.285 -11.872 5.348 1.00 0.00 H new ATOM 0 HA LEU A 31 2.573 -11.633 6.305 1.00 0.00 H new ATOM 0 HB2 LEU A 31 3.229 -12.055 3.931 1.00 0.00 H new ATOM 0 HB3 LEU A 31 3.890 -13.606 4.406 1.00 0.00 H new ATOM 0 HG LEU A 31 1.528 -14.180 5.244 1.00 0.00 H new ATOM 0 HD11 LEU A 31 -0.300 -12.959 4.135 1.00 0.00 H new ATOM 0 HD12 LEU A 31 0.624 -11.909 5.236 1.00 0.00 H new ATOM 0 HD13 LEU A 31 0.880 -11.799 3.478 1.00 0.00 H new ATOM 0 HD21 LEU A 31 0.806 -14.840 2.983 1.00 0.00 H new ATOM 0 HD22 LEU A 31 2.029 -13.754 2.280 1.00 0.00 H new ATOM 0 HD23 LEU A 31 2.536 -15.163 3.243 1.00 0.00 H new ATOM 443 N GLN A 32 4.487 -13.771 7.650 1.00 0.00 N ATOM 444 CA GLN A 32 4.592 -14.843 8.633 1.00 0.00 C ATOM 445 C GLN A 32 4.745 -14.278 10.041 1.00 0.00 C ATOM 446 O GLN A 32 4.350 -14.910 11.020 1.00 0.00 O ATOM 447 CB GLN A 32 5.779 -15.751 8.303 1.00 0.00 C ATOM 448 CG GLN A 32 6.125 -16.728 9.415 1.00 0.00 C ATOM 449 CD GLN A 32 7.217 -17.701 9.018 1.00 0.00 C ATOM 450 OE1 GLN A 32 7.725 -17.659 7.897 1.00 0.00 O ATOM 451 NE2 GLN A 32 7.586 -18.585 9.938 1.00 0.00 N ATOM 0 H GLN A 32 5.360 -13.275 7.471 1.00 0.00 H new ATOM 0 HA GLN A 32 3.673 -15.428 8.595 1.00 0.00 H new ATOM 0 HB2 GLN A 32 5.556 -16.311 7.395 1.00 0.00 H new ATOM 0 HB3 GLN A 32 6.651 -15.132 8.090 1.00 0.00 H new ATOM 0 HG2 GLN A 32 6.443 -16.171 10.297 1.00 0.00 H new ATOM 0 HG3 GLN A 32 5.231 -17.285 9.695 1.00 0.00 H new ATOM 0 HE21 GLN A 32 7.138 -18.584 10.854 1.00 0.00 H new ATOM 0 HE22 GLN A 32 8.317 -19.265 9.728 1.00 0.00 H new ATOM 460 N ALA A 33 5.321 -13.084 10.135 1.00 0.00 N ATOM 461 CA ALA A 33 5.524 -12.433 11.423 1.00 0.00 C ATOM 462 C ALA A 33 4.379 -11.478 11.742 1.00 0.00 C ATOM 463 O ALA A 33 4.072 -11.229 12.908 1.00 0.00 O ATOM 464 CB ALA A 33 6.852 -11.691 11.436 1.00 0.00 C ATOM 0 H ALA A 33 5.655 -12.548 9.334 1.00 0.00 H new ATOM 0 HA ALA A 33 5.544 -13.204 12.193 1.00 0.00 H new ATOM 0 HB1 ALA A 33 6.990 -11.210 12.404 1.00 0.00 H new ATOM 0 HB2 ALA A 33 7.665 -12.396 11.262 1.00 0.00 H new ATOM 0 HB3 ALA A 33 6.854 -10.935 10.651 1.00 0.00 H new ATOM 470 N ASP A 34 3.751 -10.945 10.699 1.00 0.00 N ATOM 471 CA ASP A 34 2.639 -10.017 10.869 1.00 0.00 C ATOM 472 C ASP A 34 1.345 -10.615 10.327 1.00 0.00 C ATOM 473 O ASP A 34 0.255 -10.109 10.596 1.00 0.00 O ATOM 474 CB ASP A 34 2.939 -8.694 10.162 1.00 0.00 C ATOM 475 CG ASP A 34 2.280 -7.511 10.843 1.00 0.00 C ATOM 476 OD1 ASP A 34 1.034 -7.491 10.922 1.00 0.00 O ATOM 477 OD2 ASP A 34 3.010 -6.604 11.296 1.00 0.00 O ATOM 0 H ASP A 34 3.993 -11.140 9.727 1.00 0.00 H new ATOM 0 HA ASP A 34 2.513 -9.830 11.935 1.00 0.00 H new ATOM 0 HB2 ASP A 34 4.017 -8.538 10.132 1.00 0.00 H new ATOM 0 HB3 ASP A 34 2.597 -8.752 9.129 1.00 0.00 H new ATOM 482 N HIS A 35 1.472 -11.694 9.562 1.00 0.00 N ATOM 483 CA HIS A 35 0.312 -12.362 8.982 1.00 0.00 C ATOM 484 C HIS A 35 -0.373 -11.465 7.955 1.00 0.00 C ATOM 485 O HIS A 35 -1.580 -11.565 7.736 1.00 0.00 O ATOM 486 CB HIS A 35 -0.680 -12.751 10.079 1.00 0.00 C ATOM 487 CG HIS A 35 -0.044 -13.449 11.241 1.00 0.00 C ATOM 488 ND1 HIS A 35 0.422 -12.965 12.417 1.00 0.00 N flip ATOM 489 CD2 HIS A 35 0.177 -14.809 11.274 1.00 0.00 C flip ATOM 490 CE1 HIS A 35 0.909 -14.032 13.131 1.00 0.00 C flip ATOM 491 NE2 HIS A 35 0.749 -15.133 12.420 1.00 0.00 N flip ATOM 0 H HIS A 35 2.367 -12.125 9.329 1.00 0.00 H new ATOM 0 HA HIS A 35 0.657 -13.265 8.478 1.00 0.00 H new ATOM 0 HB2 HIS A 35 -1.184 -11.853 10.437 1.00 0.00 H new ATOM 0 HB3 HIS A 35 -1.446 -13.398 9.652 1.00 0.00 H new ATOM 0 HD1 HIS A 35 0.413 -11.990 12.716 1.00 0.00 H new ATOM 0 HD2 HIS A 35 -0.078 -15.502 10.486 1.00 0.00 H new ATOM 0 HE1 HIS A 35 1.351 -13.979 14.115 1.00 0.00 H new ATOM 499 N VAL A 36 0.405 -10.589 7.328 1.00 0.00 N ATOM 500 CA VAL A 36 -0.126 -9.675 6.324 1.00 0.00 C ATOM 501 C VAL A 36 0.989 -8.860 5.678 1.00 0.00 C ATOM 502 O VAL A 36 1.925 -8.427 6.351 1.00 0.00 O ATOM 503 CB VAL A 36 -1.163 -8.713 6.934 1.00 0.00 C ATOM 504 CG1 VAL A 36 -0.516 -7.827 7.987 1.00 0.00 C ATOM 505 CG2 VAL A 36 -1.815 -7.873 5.845 1.00 0.00 C ATOM 0 H VAL A 36 1.406 -10.493 7.498 1.00 0.00 H new ATOM 0 HA VAL A 36 -0.612 -10.287 5.564 1.00 0.00 H new ATOM 0 HB VAL A 36 -1.940 -9.304 7.419 1.00 0.00 H new ATOM 0 HG11 VAL A 36 -1.264 -7.154 8.406 1.00 0.00 H new ATOM 0 HG12 VAL A 36 -0.101 -8.449 8.781 1.00 0.00 H new ATOM 0 HG13 VAL A 36 0.282 -7.242 7.530 1.00 0.00 H new ATOM 0 HG21 VAL A 36 -2.545 -7.199 6.293 1.00 0.00 H new ATOM 0 HG22 VAL A 36 -1.052 -7.290 5.329 1.00 0.00 H new ATOM 0 HG23 VAL A 36 -2.316 -8.527 5.132 1.00 0.00 H new ATOM 515 N CYS A 37 0.881 -8.653 4.371 1.00 0.00 N ATOM 516 CA CYS A 37 1.881 -7.889 3.632 1.00 0.00 C ATOM 517 C CYS A 37 1.380 -7.549 2.232 1.00 0.00 C ATOM 518 O CYS A 37 0.827 -8.401 1.535 1.00 0.00 O ATOM 519 CB CYS A 37 3.189 -8.676 3.542 1.00 0.00 C ATOM 520 SG CYS A 37 4.626 -7.670 3.100 1.00 0.00 S ATOM 0 H CYS A 37 0.111 -9.003 3.800 1.00 0.00 H new ATOM 0 HA CYS A 37 2.062 -6.958 4.169 1.00 0.00 H new ATOM 0 HB2 CYS A 37 3.377 -9.158 4.501 1.00 0.00 H new ATOM 0 HB3 CYS A 37 3.073 -9.470 2.804 1.00 0.00 H new ATOM 0 HG CYS A 37 4.954 -7.901 1.863 1.00 0.00 H new ATOM 526 N LEU A 38 1.576 -6.300 1.827 1.00 0.00 N ATOM 527 CA LEU A 38 1.144 -5.846 0.510 1.00 0.00 C ATOM 528 C LEU A 38 2.036 -6.421 -0.585 1.00 0.00 C ATOM 529 O LEU A 38 3.260 -6.311 -0.523 1.00 0.00 O ATOM 530 CB LEU A 38 1.159 -4.317 0.445 1.00 0.00 C ATOM 531 CG LEU A 38 1.030 -3.703 -0.949 1.00 0.00 C ATOM 532 CD1 LEU A 38 -0.417 -3.735 -1.415 1.00 0.00 C ATOM 533 CD2 LEU A 38 1.564 -2.278 -0.956 1.00 0.00 C ATOM 0 H LEU A 38 2.031 -5.583 2.392 1.00 0.00 H new ATOM 0 HA LEU A 38 0.126 -6.201 0.347 1.00 0.00 H new ATOM 0 HB2 LEU A 38 0.345 -3.939 1.063 1.00 0.00 H new ATOM 0 HB3 LEU A 38 2.089 -3.963 0.891 1.00 0.00 H new ATOM 0 HG LEU A 38 1.626 -4.296 -1.643 1.00 0.00 H new ATOM 0 HD11 LEU A 38 -0.489 -3.294 -2.409 1.00 0.00 H new ATOM 0 HD12 LEU A 38 -0.765 -4.767 -1.450 1.00 0.00 H new ATOM 0 HD13 LEU A 38 -1.036 -3.167 -0.720 1.00 0.00 H new ATOM 0 HD21 LEU A 38 1.464 -1.857 -1.956 1.00 0.00 H new ATOM 0 HD22 LEU A 38 0.996 -1.673 -0.249 1.00 0.00 H new ATOM 0 HD23 LEU A 38 2.615 -2.282 -0.667 1.00 0.00 H new ATOM 545 N GLU A 39 1.414 -7.034 -1.588 1.00 0.00 N ATOM 546 CA GLU A 39 2.153 -7.625 -2.697 1.00 0.00 C ATOM 547 C GLU A 39 2.582 -6.555 -3.697 1.00 0.00 C ATOM 548 O GLU A 39 3.767 -6.248 -3.823 1.00 0.00 O ATOM 549 CB GLU A 39 1.300 -8.683 -3.400 1.00 0.00 C ATOM 550 CG GLU A 39 1.980 -9.308 -4.607 1.00 0.00 C ATOM 551 CD GLU A 39 1.244 -10.530 -5.123 1.00 0.00 C ATOM 552 OE1 GLU A 39 0.205 -10.357 -5.794 1.00 0.00 O ATOM 553 OE2 GLU A 39 1.706 -11.658 -4.855 1.00 0.00 O ATOM 0 H GLU A 39 0.401 -7.134 -1.655 1.00 0.00 H new ATOM 0 HA GLU A 39 3.047 -8.099 -2.293 1.00 0.00 H new ATOM 0 HB2 GLU A 39 1.050 -9.469 -2.687 1.00 0.00 H new ATOM 0 HB3 GLU A 39 0.361 -8.229 -3.717 1.00 0.00 H new ATOM 0 HG2 GLU A 39 2.050 -8.567 -5.404 1.00 0.00 H new ATOM 0 HG3 GLU A 39 2.999 -9.588 -4.341 1.00 0.00 H new ATOM 560 N ASN A 40 1.609 -5.991 -4.405 1.00 0.00 N ATOM 561 CA ASN A 40 1.885 -4.956 -5.395 1.00 0.00 C ATOM 562 C ASN A 40 0.860 -3.829 -5.304 1.00 0.00 C ATOM 563 O ASN A 40 -0.327 -4.072 -5.087 1.00 0.00 O ATOM 564 CB ASN A 40 1.880 -5.553 -6.803 1.00 0.00 C ATOM 565 CG ASN A 40 0.492 -5.973 -7.247 1.00 0.00 C ATOM 566 OD1 ASN A 40 -0.107 -6.883 -6.674 1.00 0.00 O ATOM 567 ND2 ASN A 40 -0.026 -5.310 -8.275 1.00 0.00 N ATOM 0 H ASN A 40 0.623 -6.233 -4.312 1.00 0.00 H new ATOM 0 HA ASN A 40 2.872 -4.543 -5.187 1.00 0.00 H new ATOM 0 HB2 ASN A 40 2.278 -4.822 -7.506 1.00 0.00 H new ATOM 0 HB3 ASN A 40 2.545 -6.417 -6.831 1.00 0.00 H new ATOM 0 HD21 ASN A 40 -0.956 -5.549 -8.619 1.00 0.00 H new ATOM 0 HD22 ASN A 40 0.506 -4.562 -8.720 1.00 0.00 H new ATOM 574 N CYS A 41 1.328 -2.597 -5.472 1.00 0.00 N ATOM 575 CA CYS A 41 0.452 -1.432 -5.409 1.00 0.00 C ATOM 576 C CYS A 41 0.746 -0.469 -6.555 1.00 0.00 C ATOM 577 O CYS A 41 1.787 0.187 -6.577 1.00 0.00 O ATOM 578 CB CYS A 41 0.619 -0.715 -4.068 1.00 0.00 C ATOM 579 SG CYS A 41 -0.447 0.732 -3.868 1.00 0.00 S ATOM 0 H CYS A 41 2.308 -2.379 -5.653 1.00 0.00 H new ATOM 0 HA CYS A 41 -0.578 -1.776 -5.503 1.00 0.00 H new ATOM 0 HB2 CYS A 41 0.412 -1.420 -3.263 1.00 0.00 H new ATOM 0 HB3 CYS A 41 1.658 -0.405 -3.961 1.00 0.00 H new ATOM 0 HG CYS A 41 -0.235 1.269 -2.703 1.00 0.00 H new ATOM 585 N VAL A 42 -0.179 -0.390 -7.506 1.00 0.00 N ATOM 586 CA VAL A 42 -0.020 0.492 -8.656 1.00 0.00 C ATOM 587 C VAL A 42 -0.815 1.780 -8.475 1.00 0.00 C ATOM 588 O VAL A 42 -1.654 1.884 -7.579 1.00 0.00 O ATOM 589 CB VAL A 42 -0.469 -0.197 -9.958 1.00 0.00 C ATOM 590 CG1 VAL A 42 0.258 -1.520 -10.141 1.00 0.00 C ATOM 591 CG2 VAL A 42 -1.976 -0.402 -9.960 1.00 0.00 C ATOM 0 H VAL A 42 -1.047 -0.926 -7.503 1.00 0.00 H new ATOM 0 HA VAL A 42 1.041 0.731 -8.727 1.00 0.00 H new ATOM 0 HB VAL A 42 -0.212 0.449 -10.797 1.00 0.00 H new ATOM 0 HG11 VAL A 42 -0.073 -1.992 -11.066 1.00 0.00 H new ATOM 0 HG12 VAL A 42 1.332 -1.341 -10.188 1.00 0.00 H new ATOM 0 HG13 VAL A 42 0.036 -2.176 -9.300 1.00 0.00 H new ATOM 0 HG21 VAL A 42 -2.276 -0.890 -10.887 1.00 0.00 H new ATOM 0 HG22 VAL A 42 -2.259 -1.027 -9.113 1.00 0.00 H new ATOM 0 HG23 VAL A 42 -2.475 0.564 -9.881 1.00 0.00 H new ATOM 601 N LEU A 43 -0.547 2.760 -9.331 1.00 0.00 N ATOM 602 CA LEU A 43 -1.238 4.043 -9.267 1.00 0.00 C ATOM 603 C LEU A 43 -1.721 4.471 -10.649 1.00 0.00 C ATOM 604 O LEU A 43 -1.002 4.335 -11.639 1.00 0.00 O ATOM 605 CB LEU A 43 -0.316 5.113 -8.681 1.00 0.00 C ATOM 606 CG LEU A 43 -1.000 6.237 -7.903 1.00 0.00 C ATOM 607 CD1 LEU A 43 -0.050 6.831 -6.875 1.00 0.00 C ATOM 608 CD2 LEU A 43 -1.501 7.315 -8.854 1.00 0.00 C ATOM 0 H LEU A 43 0.144 2.691 -10.078 1.00 0.00 H new ATOM 0 HA LEU A 43 -2.107 3.928 -8.619 1.00 0.00 H new ATOM 0 HB2 LEU A 43 0.400 4.624 -8.020 1.00 0.00 H new ATOM 0 HB3 LEU A 43 0.255 5.558 -9.496 1.00 0.00 H new ATOM 0 HG LEU A 43 -1.857 5.818 -7.375 1.00 0.00 H new ATOM 0 HD11 LEU A 43 -0.555 7.629 -6.331 1.00 0.00 H new ATOM 0 HD12 LEU A 43 0.260 6.055 -6.175 1.00 0.00 H new ATOM 0 HD13 LEU A 43 0.827 7.235 -7.381 1.00 0.00 H new ATOM 0 HD21 LEU A 43 -1.985 8.107 -8.283 1.00 0.00 H new ATOM 0 HD22 LEU A 43 -0.660 7.730 -9.409 1.00 0.00 H new ATOM 0 HD23 LEU A 43 -2.217 6.881 -9.551 1.00 0.00 H new ATOM 620 N LYS A 44 -2.942 4.992 -10.709 1.00 0.00 N ATOM 621 CA LYS A 44 -3.520 5.445 -11.968 1.00 0.00 C ATOM 622 C LYS A 44 -4.054 6.868 -11.841 1.00 0.00 C ATOM 623 O LYS A 44 -3.884 7.515 -10.808 1.00 0.00 O ATOM 624 CB LYS A 44 -4.645 4.504 -12.404 1.00 0.00 C ATOM 625 CG LYS A 44 -4.211 3.054 -12.530 1.00 0.00 C ATOM 626 CD LYS A 44 -4.457 2.284 -11.243 1.00 0.00 C ATOM 627 CE LYS A 44 -5.899 1.808 -11.146 1.00 0.00 C ATOM 628 NZ LYS A 44 -6.308 1.562 -9.735 1.00 0.00 N ATOM 0 H LYS A 44 -3.551 5.111 -9.899 1.00 0.00 H new ATOM 0 HA LYS A 44 -2.734 5.437 -12.723 1.00 0.00 H new ATOM 0 HB2 LYS A 44 -5.461 4.569 -11.684 1.00 0.00 H new ATOM 0 HB3 LYS A 44 -5.038 4.841 -13.363 1.00 0.00 H new ATOM 0 HG2 LYS A 44 -4.754 2.580 -13.348 1.00 0.00 H new ATOM 0 HG3 LYS A 44 -3.152 3.011 -12.784 1.00 0.00 H new ATOM 0 HD2 LYS A 44 -3.786 1.427 -11.197 1.00 0.00 H new ATOM 0 HD3 LYS A 44 -4.224 2.918 -10.388 1.00 0.00 H new ATOM 0 HE2 LYS A 44 -6.558 2.554 -11.591 1.00 0.00 H new ATOM 0 HE3 LYS A 44 -6.019 0.892 -11.724 1.00 0.00 H new ATOM 0 HZ1 LYS A 44 -7.050 0.834 -9.711 1.00 0.00 H new ATOM 0 HZ2 LYS A 44 -5.486 1.237 -9.187 1.00 0.00 H new ATOM 0 HZ3 LYS A 44 -6.674 2.443 -9.321 1.00 0.00 H new ATOM 642 N ASP A 45 -4.701 7.349 -12.897 1.00 0.00 N ATOM 643 CA ASP A 45 -5.263 8.694 -12.902 1.00 0.00 C ATOM 644 C ASP A 45 -6.280 8.863 -11.778 1.00 0.00 C ATOM 645 O ASP A 45 -7.371 8.295 -11.823 1.00 0.00 O ATOM 646 CB ASP A 45 -5.921 8.990 -14.251 1.00 0.00 C ATOM 647 CG ASP A 45 -5.172 8.364 -15.411 1.00 0.00 C ATOM 648 OD1 ASP A 45 -4.129 8.920 -15.813 1.00 0.00 O ATOM 649 OD2 ASP A 45 -5.629 7.317 -15.917 1.00 0.00 O ATOM 0 H ASP A 45 -4.849 6.827 -13.761 1.00 0.00 H new ATOM 0 HA ASP A 45 -4.449 9.401 -12.740 1.00 0.00 H new ATOM 0 HB2 ASP A 45 -6.946 8.619 -14.241 1.00 0.00 H new ATOM 0 HB3 ASP A 45 -5.974 10.069 -14.397 1.00 0.00 H new ATOM 654 N LYS A 46 -5.914 9.648 -10.770 1.00 0.00 N ATOM 655 CA LYS A 46 -6.794 9.893 -9.633 1.00 0.00 C ATOM 656 C LYS A 46 -7.372 8.585 -9.100 1.00 0.00 C ATOM 657 O LYS A 46 -8.538 8.524 -8.712 1.00 0.00 O ATOM 658 CB LYS A 46 -7.929 10.838 -10.034 1.00 0.00 C ATOM 659 CG LYS A 46 -7.454 12.228 -10.419 1.00 0.00 C ATOM 660 CD LYS A 46 -7.081 12.303 -11.890 1.00 0.00 C ATOM 661 CE LYS A 46 -6.034 13.375 -12.146 1.00 0.00 C ATOM 662 NZ LYS A 46 -4.653 12.871 -11.908 1.00 0.00 N ATOM 0 H LYS A 46 -5.014 10.125 -10.717 1.00 0.00 H new ATOM 0 HA LYS A 46 -6.204 10.358 -8.843 1.00 0.00 H new ATOM 0 HB2 LYS A 46 -8.473 10.404 -10.873 1.00 0.00 H new ATOM 0 HB3 LYS A 46 -8.633 10.920 -9.205 1.00 0.00 H new ATOM 0 HG2 LYS A 46 -8.238 12.954 -10.204 1.00 0.00 H new ATOM 0 HG3 LYS A 46 -6.592 12.501 -9.810 1.00 0.00 H new ATOM 0 HD2 LYS A 46 -6.701 11.336 -12.220 1.00 0.00 H new ATOM 0 HD3 LYS A 46 -7.972 12.514 -12.482 1.00 0.00 H new ATOM 0 HE2 LYS A 46 -6.120 13.728 -13.174 1.00 0.00 H new ATOM 0 HE3 LYS A 46 -6.225 14.231 -11.498 1.00 0.00 H new ATOM 0 HZ1 LYS A 46 -3.969 13.632 -12.093 1.00 0.00 H new ATOM 0 HZ2 LYS A 46 -4.563 12.558 -10.920 1.00 0.00 H new ATOM 0 HZ3 LYS A 46 -4.461 12.071 -12.544 1.00 0.00 H new ATOM 676 N ALA A 47 -6.547 7.543 -9.084 1.00 0.00 N ATOM 677 CA ALA A 47 -6.976 6.238 -8.595 1.00 0.00 C ATOM 678 C ALA A 47 -5.777 5.361 -8.247 1.00 0.00 C ATOM 679 O ALA A 47 -4.651 5.641 -8.660 1.00 0.00 O ATOM 680 CB ALA A 47 -7.853 5.549 -9.630 1.00 0.00 C ATOM 0 H ALA A 47 -5.579 7.577 -9.404 1.00 0.00 H new ATOM 0 HA ALA A 47 -7.557 6.391 -7.686 1.00 0.00 H new ATOM 0 HB1 ALA A 47 -8.166 4.576 -9.252 1.00 0.00 H new ATOM 0 HB2 ALA A 47 -8.733 6.162 -9.827 1.00 0.00 H new ATOM 0 HB3 ALA A 47 -7.289 5.415 -10.553 1.00 0.00 H new ATOM 686 N ILE A 48 -6.027 4.301 -7.486 1.00 0.00 N ATOM 687 CA ILE A 48 -4.968 3.384 -7.083 1.00 0.00 C ATOM 688 C ILE A 48 -5.489 1.955 -6.977 1.00 0.00 C ATOM 689 O ILE A 48 -6.694 1.730 -6.867 1.00 0.00 O ATOM 690 CB ILE A 48 -4.350 3.796 -5.734 1.00 0.00 C ATOM 691 CG1 ILE A 48 -5.201 3.268 -4.577 1.00 0.00 C ATOM 692 CG2 ILE A 48 -4.214 5.309 -5.652 1.00 0.00 C ATOM 693 CD1 ILE A 48 -4.645 3.611 -3.212 1.00 0.00 C ATOM 0 H ILE A 48 -6.953 4.056 -7.136 1.00 0.00 H new ATOM 0 HA ILE A 48 -4.199 3.431 -7.854 1.00 0.00 H new ATOM 0 HB ILE A 48 -3.355 3.358 -5.658 1.00 0.00 H new ATOM 0 HG12 ILE A 48 -6.209 3.675 -4.663 1.00 0.00 H new ATOM 0 HG13 ILE A 48 -5.286 2.185 -4.664 1.00 0.00 H new ATOM 0 HG21 ILE A 48 -3.776 5.583 -4.692 1.00 0.00 H new ATOM 0 HG22 ILE A 48 -3.571 5.661 -6.459 1.00 0.00 H new ATOM 0 HG23 ILE A 48 -5.198 5.768 -5.746 1.00 0.00 H new ATOM 0 HD11 ILE A 48 -5.299 3.205 -2.440 1.00 0.00 H new ATOM 0 HD12 ILE A 48 -3.649 3.181 -3.106 1.00 0.00 H new ATOM 0 HD13 ILE A 48 -4.586 4.694 -3.105 1.00 0.00 H new ATOM 705 N ALA A 49 -4.573 0.993 -7.009 1.00 0.00 N ATOM 706 CA ALA A 49 -4.939 -0.414 -6.912 1.00 0.00 C ATOM 707 C ALA A 49 -3.784 -1.246 -6.365 1.00 0.00 C ATOM 708 O ALA A 49 -2.622 -0.994 -6.679 1.00 0.00 O ATOM 709 CB ALA A 49 -5.373 -0.941 -8.272 1.00 0.00 C ATOM 0 H ALA A 49 -3.571 1.163 -7.101 1.00 0.00 H new ATOM 0 HA ALA A 49 -5.775 -0.499 -6.217 1.00 0.00 H new ATOM 0 HB1 ALA A 49 -5.644 -1.993 -8.185 1.00 0.00 H new ATOM 0 HB2 ALA A 49 -6.234 -0.373 -8.625 1.00 0.00 H new ATOM 0 HB3 ALA A 49 -4.553 -0.835 -8.982 1.00 0.00 H new ATOM 715 N GLY A 50 -4.113 -2.238 -5.542 1.00 0.00 N ATOM 716 CA GLY A 50 -3.091 -3.091 -4.963 1.00 0.00 C ATOM 717 C GLY A 50 -3.669 -4.347 -4.343 1.00 0.00 C ATOM 718 O GLY A 50 -4.811 -4.354 -3.882 1.00 0.00 O ATOM 0 H GLY A 50 -5.068 -2.466 -5.266 1.00 0.00 H new ATOM 0 HA2 GLY A 50 -2.373 -3.368 -5.735 1.00 0.00 H new ATOM 0 HA3 GLY A 50 -2.544 -2.533 -4.203 1.00 0.00 H new ATOM 722 N THR A 51 -2.879 -5.417 -4.331 1.00 0.00 N ATOM 723 CA THR A 51 -3.318 -6.686 -3.765 1.00 0.00 C ATOM 724 C THR A 51 -2.601 -6.981 -2.453 1.00 0.00 C ATOM 725 O THR A 51 -1.372 -6.945 -2.384 1.00 0.00 O ATOM 726 CB THR A 51 -3.076 -7.851 -4.743 1.00 0.00 C ATOM 727 OG1 THR A 51 -1.677 -7.975 -5.020 1.00 0.00 O ATOM 728 CG2 THR A 51 -3.838 -7.635 -6.042 1.00 0.00 C ATOM 0 H THR A 51 -1.931 -5.429 -4.707 1.00 0.00 H new ATOM 0 HA THR A 51 -4.388 -6.595 -3.578 1.00 0.00 H new ATOM 0 HB THR A 51 -3.437 -8.768 -4.277 1.00 0.00 H new ATOM 0 HG1 THR A 51 -1.452 -7.444 -5.813 1.00 0.00 H new ATOM 0 HG21 THR A 51 -3.651 -8.471 -6.717 1.00 0.00 H new ATOM 0 HG22 THR A 51 -4.905 -7.570 -5.831 1.00 0.00 H new ATOM 0 HG23 THR A 51 -3.504 -6.709 -6.510 1.00 0.00 H new ATOM 736 N VAL A 52 -3.375 -7.273 -1.413 1.00 0.00 N ATOM 737 CA VAL A 52 -2.813 -7.576 -0.102 1.00 0.00 C ATOM 738 C VAL A 52 -2.853 -9.074 0.180 1.00 0.00 C ATOM 739 O VAL A 52 -3.820 -9.756 -0.161 1.00 0.00 O ATOM 740 CB VAL A 52 -3.566 -6.834 1.017 1.00 0.00 C ATOM 741 CG1 VAL A 52 -3.029 -7.238 2.382 1.00 0.00 C ATOM 742 CG2 VAL A 52 -3.466 -5.329 0.820 1.00 0.00 C ATOM 0 H VAL A 52 -4.394 -7.306 -1.453 1.00 0.00 H new ATOM 0 HA VAL A 52 -1.776 -7.239 -0.117 1.00 0.00 H new ATOM 0 HB VAL A 52 -4.618 -7.114 0.970 1.00 0.00 H new ATOM 0 HG11 VAL A 52 -3.574 -6.703 3.160 1.00 0.00 H new ATOM 0 HG12 VAL A 52 -3.159 -8.311 2.521 1.00 0.00 H new ATOM 0 HG13 VAL A 52 -1.970 -6.989 2.444 1.00 0.00 H new ATOM 0 HG21 VAL A 52 -4.004 -4.821 1.620 1.00 0.00 H new ATOM 0 HG22 VAL A 52 -2.418 -5.028 0.839 1.00 0.00 H new ATOM 0 HG23 VAL A 52 -3.904 -5.058 -0.141 1.00 0.00 H new ATOM 752 N LYS A 53 -1.796 -9.581 0.805 1.00 0.00 N ATOM 753 CA LYS A 53 -1.709 -10.998 1.135 1.00 0.00 C ATOM 754 C LYS A 53 -1.882 -11.219 2.635 1.00 0.00 C ATOM 755 O LYS A 53 -1.489 -10.380 3.445 1.00 0.00 O ATOM 756 CB LYS A 53 -0.365 -11.569 0.677 1.00 0.00 C ATOM 757 CG LYS A 53 -0.426 -13.037 0.294 1.00 0.00 C ATOM 758 CD LYS A 53 -0.991 -13.226 -1.104 1.00 0.00 C ATOM 759 CE LYS A 53 -0.410 -14.459 -1.778 1.00 0.00 C ATOM 760 NZ LYS A 53 0.954 -14.206 -2.317 1.00 0.00 N ATOM 0 H LYS A 53 -0.987 -9.031 1.093 1.00 0.00 H new ATOM 0 HA LYS A 53 -2.514 -11.516 0.613 1.00 0.00 H new ATOM 0 HB2 LYS A 53 -0.008 -10.994 -0.177 1.00 0.00 H new ATOM 0 HB3 LYS A 53 0.366 -11.441 1.476 1.00 0.00 H new ATOM 0 HG2 LYS A 53 0.573 -13.469 0.345 1.00 0.00 H new ATOM 0 HG3 LYS A 53 -1.043 -13.576 1.013 1.00 0.00 H new ATOM 0 HD2 LYS A 53 -2.076 -13.317 -1.050 1.00 0.00 H new ATOM 0 HD3 LYS A 53 -0.775 -12.344 -1.707 1.00 0.00 H new ATOM 0 HE2 LYS A 53 -0.371 -15.280 -1.062 1.00 0.00 H new ATOM 0 HE3 LYS A 53 -1.068 -14.774 -2.588 1.00 0.00 H new ATOM 0 HZ1 LYS A 53 1.315 -15.071 -2.768 1.00 0.00 H new ATOM 0 HZ2 LYS A 53 0.913 -13.440 -3.019 1.00 0.00 H new ATOM 0 HZ3 LYS A 53 1.588 -13.930 -1.540 1.00 0.00 H new ATOM 774 N VAL A 54 -2.472 -12.354 2.997 1.00 0.00 N ATOM 775 CA VAL A 54 -2.695 -12.686 4.399 1.00 0.00 C ATOM 776 C VAL A 54 -2.449 -14.168 4.659 1.00 0.00 C ATOM 777 O VAL A 54 -2.202 -14.937 3.730 1.00 0.00 O ATOM 778 CB VAL A 54 -4.127 -12.330 4.839 1.00 0.00 C ATOM 779 CG1 VAL A 54 -4.382 -10.840 4.673 1.00 0.00 C ATOM 780 CG2 VAL A 54 -5.144 -13.144 4.053 1.00 0.00 C ATOM 0 H VAL A 54 -2.804 -13.059 2.339 1.00 0.00 H new ATOM 0 HA VAL A 54 -1.987 -12.096 4.980 1.00 0.00 H new ATOM 0 HB VAL A 54 -4.236 -12.577 5.895 1.00 0.00 H new ATOM 0 HG11 VAL A 54 -5.399 -10.607 4.989 1.00 0.00 H new ATOM 0 HG12 VAL A 54 -3.675 -10.280 5.285 1.00 0.00 H new ATOM 0 HG13 VAL A 54 -4.255 -10.564 3.626 1.00 0.00 H new ATOM 0 HG21 VAL A 54 -6.151 -12.879 4.377 1.00 0.00 H new ATOM 0 HG22 VAL A 54 -5.037 -12.930 2.989 1.00 0.00 H new ATOM 0 HG23 VAL A 54 -4.974 -14.206 4.229 1.00 0.00 H new ATOM 790 N GLN A 55 -2.517 -14.560 5.927 1.00 0.00 N ATOM 791 CA GLN A 55 -2.301 -15.951 6.308 1.00 0.00 C ATOM 792 C GLN A 55 -3.621 -16.630 6.660 1.00 0.00 C ATOM 793 O GLN A 55 -4.456 -16.059 7.360 1.00 0.00 O ATOM 794 CB GLN A 55 -1.339 -16.033 7.495 1.00 0.00 C ATOM 795 CG GLN A 55 0.102 -15.715 7.132 1.00 0.00 C ATOM 796 CD GLN A 55 0.785 -16.856 6.403 1.00 0.00 C ATOM 797 OE1 GLN A 55 0.171 -17.542 5.586 1.00 0.00 O ATOM 798 NE2 GLN A 55 2.064 -17.064 6.696 1.00 0.00 N ATOM 0 H GLN A 55 -2.720 -13.935 6.707 1.00 0.00 H new ATOM 0 HA GLN A 55 -1.862 -16.471 5.457 1.00 0.00 H new ATOM 0 HB2 GLN A 55 -1.671 -15.342 8.270 1.00 0.00 H new ATOM 0 HB3 GLN A 55 -1.385 -17.035 7.921 1.00 0.00 H new ATOM 0 HG2 GLN A 55 0.127 -14.823 6.507 1.00 0.00 H new ATOM 0 HG3 GLN A 55 0.659 -15.484 8.040 1.00 0.00 H new ATOM 0 HE21 GLN A 55 2.534 -16.471 7.380 1.00 0.00 H new ATOM 0 HE22 GLN A 55 2.576 -17.817 6.237 1.00 0.00 H new ATOM 807 N ASN A 56 -3.801 -17.852 6.170 1.00 0.00 N ATOM 808 CA ASN A 56 -5.020 -18.609 6.433 1.00 0.00 C ATOM 809 C ASN A 56 -5.048 -19.112 7.873 1.00 0.00 C ATOM 810 O ASN A 56 -4.820 -20.294 8.133 1.00 0.00 O ATOM 811 CB ASN A 56 -5.130 -19.789 5.466 1.00 0.00 C ATOM 812 CG ASN A 56 -6.533 -20.362 5.410 1.00 0.00 C ATOM 813 OD1 ASN A 56 -6.923 -21.163 6.260 1.00 0.00 O ATOM 814 ND2 ASN A 56 -7.300 -19.953 4.406 1.00 0.00 N ATOM 0 H ASN A 56 -3.119 -18.339 5.589 1.00 0.00 H new ATOM 0 HA ASN A 56 -5.871 -17.944 6.283 1.00 0.00 H new ATOM 0 HB2 ASN A 56 -4.832 -19.467 4.468 1.00 0.00 H new ATOM 0 HB3 ASN A 56 -4.433 -20.570 5.770 1.00 0.00 H new ATOM 0 HD21 ASN A 56 -8.254 -20.304 4.317 1.00 0.00 H new ATOM 0 HD22 ASN A 56 -6.936 -19.288 3.724 1.00 0.00 H new ATOM 821 N LEU A 57 -5.331 -18.208 8.804 1.00 0.00 N ATOM 822 CA LEU A 57 -5.390 -18.560 10.218 1.00 0.00 C ATOM 823 C LEU A 57 -6.813 -18.922 10.630 1.00 0.00 C ATOM 824 O LEU A 57 -7.055 -19.990 11.193 1.00 0.00 O ATOM 825 CB LEU A 57 -4.879 -17.399 11.074 1.00 0.00 C ATOM 826 CG LEU A 57 -3.584 -16.737 10.603 1.00 0.00 C ATOM 827 CD1 LEU A 57 -3.288 -15.495 11.430 1.00 0.00 C ATOM 828 CD2 LEU A 57 -2.424 -17.719 10.679 1.00 0.00 C ATOM 0 H LEU A 57 -5.523 -17.226 8.605 1.00 0.00 H new ATOM 0 HA LEU A 57 -4.753 -19.430 10.378 1.00 0.00 H new ATOM 0 HB2 LEU A 57 -5.657 -16.637 11.119 1.00 0.00 H new ATOM 0 HB3 LEU A 57 -4.729 -17.762 12.091 1.00 0.00 H new ATOM 0 HG LEU A 57 -3.711 -16.435 9.563 1.00 0.00 H new ATOM 0 HD11 LEU A 57 -2.363 -15.037 11.080 1.00 0.00 H new ATOM 0 HD12 LEU A 57 -4.107 -14.784 11.324 1.00 0.00 H new ATOM 0 HD13 LEU A 57 -3.182 -15.773 12.479 1.00 0.00 H new ATOM 0 HD21 LEU A 57 -1.511 -17.230 10.340 1.00 0.00 H new ATOM 0 HD22 LEU A 57 -2.296 -18.052 11.709 1.00 0.00 H new ATOM 0 HD23 LEU A 57 -2.633 -18.579 10.043 1.00 0.00 H new ATOM 840 N ALA A 58 -7.753 -18.026 10.344 1.00 0.00 N ATOM 841 CA ALA A 58 -9.153 -18.254 10.681 1.00 0.00 C ATOM 842 C ALA A 58 -9.987 -18.495 9.427 1.00 0.00 C ATOM 843 O ALA A 58 -9.617 -18.070 8.333 1.00 0.00 O ATOM 844 CB ALA A 58 -9.705 -17.073 11.466 1.00 0.00 C ATOM 0 H ALA A 58 -7.570 -17.136 9.880 1.00 0.00 H new ATOM 0 HA ALA A 58 -9.212 -19.148 11.302 1.00 0.00 H new ATOM 0 HB1 ALA A 58 -10.751 -17.256 11.711 1.00 0.00 H new ATOM 0 HB2 ALA A 58 -9.133 -16.948 12.386 1.00 0.00 H new ATOM 0 HB3 ALA A 58 -9.627 -16.168 10.864 1.00 0.00 H new ATOM 850 N PHE A 59 -11.113 -19.181 9.594 1.00 0.00 N ATOM 851 CA PHE A 59 -11.998 -19.480 8.475 1.00 0.00 C ATOM 852 C PHE A 59 -12.185 -18.254 7.586 1.00 0.00 C ATOM 853 O PHE A 59 -11.904 -18.295 6.389 1.00 0.00 O ATOM 854 CB PHE A 59 -13.356 -19.964 8.987 1.00 0.00 C ATOM 855 CG PHE A 59 -14.082 -20.851 8.016 1.00 0.00 C ATOM 856 CD1 PHE A 59 -13.701 -22.172 7.845 1.00 0.00 C ATOM 857 CD2 PHE A 59 -15.145 -20.362 7.273 1.00 0.00 C ATOM 858 CE1 PHE A 59 -14.368 -22.990 6.952 1.00 0.00 C ATOM 859 CE2 PHE A 59 -15.815 -21.176 6.379 1.00 0.00 C ATOM 860 CZ PHE A 59 -15.425 -22.491 6.218 1.00 0.00 C ATOM 0 H PHE A 59 -11.434 -19.540 10.493 1.00 0.00 H new ATOM 0 HA PHE A 59 -11.538 -20.270 7.882 1.00 0.00 H new ATOM 0 HB2 PHE A 59 -13.211 -20.505 9.922 1.00 0.00 H new ATOM 0 HB3 PHE A 59 -13.980 -19.099 9.213 1.00 0.00 H new ATOM 0 HD1 PHE A 59 -12.874 -22.567 8.416 1.00 0.00 H new ATOM 0 HD2 PHE A 59 -15.453 -19.334 7.394 1.00 0.00 H new ATOM 0 HE1 PHE A 59 -14.062 -24.018 6.829 1.00 0.00 H new ATOM 0 HE2 PHE A 59 -16.643 -20.784 5.807 1.00 0.00 H new ATOM 0 HZ PHE A 59 -15.946 -23.128 5.519 1.00 0.00 H new ATOM 870 N GLU A 60 -12.663 -17.166 8.182 1.00 0.00 N ATOM 871 CA GLU A 60 -12.889 -15.929 7.444 1.00 0.00 C ATOM 872 C GLU A 60 -12.010 -14.804 7.985 1.00 0.00 C ATOM 873 O GLU A 60 -11.438 -14.915 9.070 1.00 0.00 O ATOM 874 CB GLU A 60 -14.362 -15.523 7.524 1.00 0.00 C ATOM 875 CG GLU A 60 -15.277 -16.383 6.669 1.00 0.00 C ATOM 876 CD GLU A 60 -15.029 -16.202 5.184 1.00 0.00 C ATOM 877 OE1 GLU A 60 -15.252 -15.082 4.679 1.00 0.00 O ATOM 878 OE2 GLU A 60 -14.612 -17.179 4.528 1.00 0.00 O ATOM 0 H GLU A 60 -12.901 -17.116 9.173 1.00 0.00 H new ATOM 0 HA GLU A 60 -12.624 -16.105 6.401 1.00 0.00 H new ATOM 0 HB2 GLU A 60 -14.690 -15.579 8.562 1.00 0.00 H new ATOM 0 HB3 GLU A 60 -14.461 -14.483 7.214 1.00 0.00 H new ATOM 0 HG2 GLU A 60 -15.135 -17.431 6.932 1.00 0.00 H new ATOM 0 HG3 GLU A 60 -16.315 -16.136 6.893 1.00 0.00 H new ATOM 885 N LYS A 61 -11.908 -13.722 7.221 1.00 0.00 N ATOM 886 CA LYS A 61 -11.100 -12.576 7.622 1.00 0.00 C ATOM 887 C LYS A 61 -11.717 -11.274 7.120 1.00 0.00 C ATOM 888 O LYS A 61 -12.707 -11.285 6.388 1.00 0.00 O ATOM 889 CB LYS A 61 -9.675 -12.717 7.084 1.00 0.00 C ATOM 890 CG LYS A 61 -9.611 -12.974 5.589 1.00 0.00 C ATOM 891 CD LYS A 61 -8.391 -13.800 5.216 1.00 0.00 C ATOM 892 CE LYS A 61 -8.623 -15.282 5.468 1.00 0.00 C ATOM 893 NZ LYS A 61 -7.846 -16.133 4.525 1.00 0.00 N ATOM 0 H LYS A 61 -12.375 -13.614 6.320 1.00 0.00 H new ATOM 0 HA LYS A 61 -11.069 -12.548 8.711 1.00 0.00 H new ATOM 0 HB2 LYS A 61 -9.118 -11.808 7.312 1.00 0.00 H new ATOM 0 HB3 LYS A 61 -9.178 -13.535 7.606 1.00 0.00 H new ATOM 0 HG2 LYS A 61 -10.514 -13.493 5.269 1.00 0.00 H new ATOM 0 HG3 LYS A 61 -9.584 -12.023 5.056 1.00 0.00 H new ATOM 0 HD2 LYS A 61 -8.151 -13.642 4.165 1.00 0.00 H new ATOM 0 HD3 LYS A 61 -7.531 -13.462 5.794 1.00 0.00 H new ATOM 0 HE2 LYS A 61 -8.341 -15.525 6.493 1.00 0.00 H new ATOM 0 HE3 LYS A 61 -9.685 -15.506 5.368 1.00 0.00 H new ATOM 0 HZ1 LYS A 61 -8.018 -17.136 4.740 1.00 0.00 H new ATOM 0 HZ2 LYS A 61 -8.145 -15.932 3.549 1.00 0.00 H new ATOM 0 HZ3 LYS A 61 -6.832 -15.926 4.626 1.00 0.00 H new ATOM 907 N THR A 62 -11.125 -10.152 7.518 1.00 0.00 N ATOM 908 CA THR A 62 -11.616 -8.842 7.109 1.00 0.00 C ATOM 909 C THR A 62 -10.470 -7.939 6.667 1.00 0.00 C ATOM 910 O THR A 62 -9.786 -7.337 7.494 1.00 0.00 O ATOM 911 CB THR A 62 -12.389 -8.151 8.248 1.00 0.00 C ATOM 912 OG1 THR A 62 -13.530 -8.936 8.613 1.00 0.00 O ATOM 913 CG2 THR A 62 -12.838 -6.759 7.830 1.00 0.00 C ATOM 0 H THR A 62 -10.305 -10.125 8.123 1.00 0.00 H new ATOM 0 HA THR A 62 -12.291 -9.006 6.269 1.00 0.00 H new ATOM 0 HB THR A 62 -11.723 -8.059 9.106 1.00 0.00 H new ATOM 0 HG1 THR A 62 -14.015 -8.490 9.339 1.00 0.00 H new ATOM 0 HG21 THR A 62 -13.382 -6.290 8.650 1.00 0.00 H new ATOM 0 HG22 THR A 62 -11.966 -6.155 7.581 1.00 0.00 H new ATOM 0 HG23 THR A 62 -13.489 -6.833 6.959 1.00 0.00 H new ATOM 921 N VAL A 63 -10.267 -7.848 5.356 1.00 0.00 N ATOM 922 CA VAL A 63 -9.205 -7.016 4.803 1.00 0.00 C ATOM 923 C VAL A 63 -9.755 -5.690 4.290 1.00 0.00 C ATOM 924 O VAL A 63 -10.605 -5.661 3.400 1.00 0.00 O ATOM 925 CB VAL A 63 -8.470 -7.733 3.655 1.00 0.00 C ATOM 926 CG1 VAL A 63 -7.377 -6.844 3.082 1.00 0.00 C ATOM 927 CG2 VAL A 63 -7.894 -9.057 4.136 1.00 0.00 C ATOM 0 H VAL A 63 -10.824 -8.340 4.658 1.00 0.00 H new ATOM 0 HA VAL A 63 -8.500 -6.824 5.612 1.00 0.00 H new ATOM 0 HB VAL A 63 -9.188 -7.942 2.862 1.00 0.00 H new ATOM 0 HG11 VAL A 63 -6.869 -7.368 2.272 1.00 0.00 H new ATOM 0 HG12 VAL A 63 -7.820 -5.925 2.698 1.00 0.00 H new ATOM 0 HG13 VAL A 63 -6.658 -6.601 3.864 1.00 0.00 H new ATOM 0 HG21 VAL A 63 -7.378 -9.550 3.312 1.00 0.00 H new ATOM 0 HG22 VAL A 63 -7.190 -8.874 4.947 1.00 0.00 H new ATOM 0 HG23 VAL A 63 -8.701 -9.696 4.493 1.00 0.00 H new ATOM 937 N LYS A 64 -9.266 -4.593 4.857 1.00 0.00 N ATOM 938 CA LYS A 64 -9.706 -3.262 4.457 1.00 0.00 C ATOM 939 C LYS A 64 -8.545 -2.273 4.485 1.00 0.00 C ATOM 940 O LYS A 64 -7.722 -2.294 5.401 1.00 0.00 O ATOM 941 CB LYS A 64 -10.827 -2.775 5.378 1.00 0.00 C ATOM 942 CG LYS A 64 -12.140 -3.514 5.182 1.00 0.00 C ATOM 943 CD LYS A 64 -13.063 -3.338 6.376 1.00 0.00 C ATOM 944 CE LYS A 64 -14.382 -4.068 6.174 1.00 0.00 C ATOM 945 NZ LYS A 64 -15.463 -3.508 7.031 1.00 0.00 N ATOM 0 H LYS A 64 -8.563 -4.599 5.596 1.00 0.00 H new ATOM 0 HA LYS A 64 -10.083 -3.323 3.436 1.00 0.00 H new ATOM 0 HB2 LYS A 64 -10.508 -2.886 6.414 1.00 0.00 H new ATOM 0 HB3 LYS A 64 -10.990 -1.711 5.207 1.00 0.00 H new ATOM 0 HG2 LYS A 64 -12.634 -3.147 4.282 1.00 0.00 H new ATOM 0 HG3 LYS A 64 -11.942 -4.575 5.027 1.00 0.00 H new ATOM 0 HD2 LYS A 64 -12.573 -3.713 7.274 1.00 0.00 H new ATOM 0 HD3 LYS A 64 -13.254 -2.277 6.536 1.00 0.00 H new ATOM 0 HE2 LYS A 64 -14.677 -4.001 5.127 1.00 0.00 H new ATOM 0 HE3 LYS A 64 -14.250 -5.126 6.401 1.00 0.00 H new ATOM 0 HZ1 LYS A 64 -16.345 -4.033 6.864 1.00 0.00 H new ATOM 0 HZ2 LYS A 64 -15.193 -3.595 8.032 1.00 0.00 H new ATOM 0 HZ3 LYS A 64 -15.607 -2.505 6.797 1.00 0.00 H new ATOM 959 N ILE A 65 -8.487 -1.408 3.478 1.00 0.00 N ATOM 960 CA ILE A 65 -7.428 -0.410 3.390 1.00 0.00 C ATOM 961 C ILE A 65 -7.811 0.865 4.133 1.00 0.00 C ATOM 962 O ILE A 65 -8.907 1.397 3.950 1.00 0.00 O ATOM 963 CB ILE A 65 -7.104 -0.061 1.925 1.00 0.00 C ATOM 964 CG1 ILE A 65 -6.470 -1.261 1.220 1.00 0.00 C ATOM 965 CG2 ILE A 65 -6.182 1.147 1.861 1.00 0.00 C ATOM 966 CD1 ILE A 65 -5.288 -1.843 1.963 1.00 0.00 C ATOM 0 H ILE A 65 -9.160 -1.378 2.712 1.00 0.00 H new ATOM 0 HA ILE A 65 -6.544 -0.846 3.855 1.00 0.00 H new ATOM 0 HB ILE A 65 -8.033 0.188 1.412 1.00 0.00 H new ATOM 0 HG12 ILE A 65 -7.225 -2.036 1.090 1.00 0.00 H new ATOM 0 HG13 ILE A 65 -6.149 -0.959 0.223 1.00 0.00 H new ATOM 0 HG21 ILE A 65 -5.962 1.382 0.820 1.00 0.00 H new ATOM 0 HG22 ILE A 65 -6.669 2.002 2.331 1.00 0.00 H new ATOM 0 HG23 ILE A 65 -5.254 0.924 2.387 1.00 0.00 H new ATOM 0 HD11 ILE A 65 -4.889 -2.690 1.405 1.00 0.00 H new ATOM 0 HD12 ILE A 65 -4.515 -1.082 2.070 1.00 0.00 H new ATOM 0 HD13 ILE A 65 -5.607 -2.177 2.950 1.00 0.00 H new ATOM 978 N ARG A 66 -6.901 1.352 4.970 1.00 0.00 N ATOM 979 CA ARG A 66 -7.144 2.566 5.740 1.00 0.00 C ATOM 980 C ARG A 66 -6.244 3.702 5.262 1.00 0.00 C ATOM 981 O ARG A 66 -5.093 3.814 5.684 1.00 0.00 O ATOM 982 CB ARG A 66 -6.909 2.307 7.229 1.00 0.00 C ATOM 983 CG ARG A 66 -8.067 1.601 7.915 1.00 0.00 C ATOM 984 CD ARG A 66 -9.072 2.595 8.475 1.00 0.00 C ATOM 985 NE ARG A 66 -9.745 2.082 9.666 1.00 0.00 N ATOM 986 CZ ARG A 66 -9.223 2.139 10.886 1.00 0.00 C ATOM 987 NH1 ARG A 66 -8.030 2.684 11.076 1.00 0.00 N ATOM 988 NH2 ARG A 66 -9.897 1.650 11.920 1.00 0.00 N ATOM 0 H ARG A 66 -5.989 0.925 5.132 1.00 0.00 H new ATOM 0 HA ARG A 66 -8.183 2.860 5.589 1.00 0.00 H new ATOM 0 HB2 ARG A 66 -6.007 1.706 7.347 1.00 0.00 H new ATOM 0 HB3 ARG A 66 -6.726 3.258 7.730 1.00 0.00 H new ATOM 0 HG2 ARG A 66 -8.564 0.940 7.205 1.00 0.00 H new ATOM 0 HG3 ARG A 66 -7.686 0.974 8.721 1.00 0.00 H new ATOM 0 HD2 ARG A 66 -8.562 3.527 8.720 1.00 0.00 H new ATOM 0 HD3 ARG A 66 -9.814 2.829 7.712 1.00 0.00 H new ATOM 0 HE ARG A 66 -10.666 1.657 9.555 1.00 0.00 H new ATOM 0 HH11 ARG A 66 -7.510 3.061 10.284 1.00 0.00 H new ATOM 0 HH12 ARG A 66 -7.632 2.726 12.014 1.00 0.00 H new ATOM 0 HH21 ARG A 66 -10.816 1.230 11.778 1.00 0.00 H new ATOM 0 HH22 ARG A 66 -9.496 1.694 12.857 1.00 0.00 H new ATOM 1002 N MET A 67 -6.777 4.542 4.380 1.00 0.00 N ATOM 1003 CA MET A 67 -6.021 5.669 3.846 1.00 0.00 C ATOM 1004 C MET A 67 -6.582 6.991 4.360 1.00 0.00 C ATOM 1005 O MET A 67 -7.778 7.108 4.629 1.00 0.00 O ATOM 1006 CB MET A 67 -6.048 5.650 2.317 1.00 0.00 C ATOM 1007 CG MET A 67 -5.086 6.638 1.679 1.00 0.00 C ATOM 1008 SD MET A 67 -4.390 6.031 0.131 1.00 0.00 S ATOM 1009 CE MET A 67 -5.535 6.734 -1.054 1.00 0.00 C ATOM 0 H MET A 67 -7.728 4.464 4.021 1.00 0.00 H new ATOM 0 HA MET A 67 -4.989 5.576 4.185 1.00 0.00 H new ATOM 0 HB2 MET A 67 -5.807 4.645 1.970 1.00 0.00 H new ATOM 0 HB3 MET A 67 -7.060 5.870 1.977 1.00 0.00 H new ATOM 0 HG2 MET A 67 -5.606 7.578 1.495 1.00 0.00 H new ATOM 0 HG3 MET A 67 -4.277 6.853 2.377 1.00 0.00 H new ATOM 0 HE1 MET A 67 -5.916 5.946 -1.703 1.00 0.00 H new ATOM 0 HE2 MET A 67 -6.365 7.201 -0.525 1.00 0.00 H new ATOM 0 HE3 MET A 67 -5.021 7.483 -1.656 1.00 0.00 H new ATOM 1019 N THR A 68 -5.711 7.986 4.494 1.00 0.00 N ATOM 1020 CA THR A 68 -6.119 9.300 4.976 1.00 0.00 C ATOM 1021 C THR A 68 -5.370 10.410 4.248 1.00 0.00 C ATOM 1022 O THR A 68 -4.238 10.221 3.803 1.00 0.00 O ATOM 1023 CB THR A 68 -5.879 9.441 6.491 1.00 0.00 C ATOM 1024 OG1 THR A 68 -6.606 10.566 6.999 1.00 0.00 O ATOM 1025 CG2 THR A 68 -4.397 9.611 6.790 1.00 0.00 C ATOM 0 H THR A 68 -4.718 7.907 4.275 1.00 0.00 H new ATOM 0 HA THR A 68 -7.186 9.394 4.774 1.00 0.00 H new ATOM 0 HB THR A 68 -6.230 8.532 6.979 1.00 0.00 H new ATOM 0 HG1 THR A 68 -7.346 10.251 7.559 1.00 0.00 H new ATOM 0 HG21 THR A 68 -4.252 9.709 7.866 1.00 0.00 H new ATOM 0 HG22 THR A 68 -3.850 8.740 6.428 1.00 0.00 H new ATOM 0 HG23 THR A 68 -4.025 10.506 6.291 1.00 0.00 H new ATOM 1033 N PHE A 69 -6.008 11.570 4.131 1.00 0.00 N ATOM 1034 CA PHE A 69 -5.402 12.711 3.456 1.00 0.00 C ATOM 1035 C PHE A 69 -5.407 13.942 4.358 1.00 0.00 C ATOM 1036 O PHE A 69 -5.154 15.058 3.905 1.00 0.00 O ATOM 1037 CB PHE A 69 -6.146 13.016 2.154 1.00 0.00 C ATOM 1038 CG PHE A 69 -6.740 11.799 1.505 1.00 0.00 C ATOM 1039 CD1 PHE A 69 -7.801 11.131 2.094 1.00 0.00 C ATOM 1040 CD2 PHE A 69 -6.238 11.324 0.304 1.00 0.00 C ATOM 1041 CE1 PHE A 69 -8.348 10.010 1.499 1.00 0.00 C ATOM 1042 CE2 PHE A 69 -6.782 10.204 -0.297 1.00 0.00 C ATOM 1043 CZ PHE A 69 -7.840 9.547 0.301 1.00 0.00 C ATOM 0 H PHE A 69 -6.945 11.744 4.495 1.00 0.00 H new ATOM 0 HA PHE A 69 -4.368 12.456 3.224 1.00 0.00 H new ATOM 0 HB2 PHE A 69 -6.941 13.734 2.358 1.00 0.00 H new ATOM 0 HB3 PHE A 69 -5.459 13.492 1.455 1.00 0.00 H new ATOM 0 HD1 PHE A 69 -8.205 11.490 3.029 1.00 0.00 H new ATOM 0 HD2 PHE A 69 -5.412 11.835 -0.168 1.00 0.00 H new ATOM 0 HE1 PHE A 69 -9.173 9.496 1.971 1.00 0.00 H new ATOM 0 HE2 PHE A 69 -6.380 9.843 -1.232 1.00 0.00 H new ATOM 0 HZ PHE A 69 -8.269 8.673 -0.167 1.00 0.00 H new ATOM 1053 N ASP A 70 -5.698 13.729 5.637 1.00 0.00 N ATOM 1054 CA ASP A 70 -5.736 14.820 6.604 1.00 0.00 C ATOM 1055 C ASP A 70 -5.015 14.431 7.891 1.00 0.00 C ATOM 1056 O ASP A 70 -5.570 14.541 8.985 1.00 0.00 O ATOM 1057 CB ASP A 70 -7.184 15.206 6.912 1.00 0.00 C ATOM 1058 CG ASP A 70 -7.898 15.783 5.706 1.00 0.00 C ATOM 1059 OD1 ASP A 70 -8.230 15.007 4.786 1.00 0.00 O ATOM 1060 OD2 ASP A 70 -8.126 17.011 5.683 1.00 0.00 O ATOM 0 H ASP A 70 -5.911 12.811 6.028 1.00 0.00 H new ATOM 0 HA ASP A 70 -5.224 15.678 6.168 1.00 0.00 H new ATOM 0 HB2 ASP A 70 -7.724 14.327 7.264 1.00 0.00 H new ATOM 0 HB3 ASP A 70 -7.198 15.935 7.722 1.00 0.00 H new ATOM 1065 N THR A 71 -3.775 13.973 7.753 1.00 0.00 N ATOM 1066 CA THR A 71 -2.978 13.565 8.904 1.00 0.00 C ATOM 1067 C THR A 71 -3.748 12.590 9.787 1.00 0.00 C ATOM 1068 O THR A 71 -3.667 12.653 11.013 1.00 0.00 O ATOM 1069 CB THR A 71 -2.551 14.779 9.750 1.00 0.00 C ATOM 1070 OG1 THR A 71 -2.395 15.930 8.913 1.00 0.00 O ATOM 1071 CG2 THR A 71 -1.248 14.497 10.482 1.00 0.00 C ATOM 0 H THR A 71 -3.300 13.875 6.855 1.00 0.00 H new ATOM 0 HA THR A 71 -2.087 13.072 8.514 1.00 0.00 H new ATOM 0 HB THR A 71 -3.330 14.971 10.488 1.00 0.00 H new ATOM 0 HG1 THR A 71 -2.125 16.698 9.459 1.00 0.00 H new ATOM 0 HG21 THR A 71 -0.967 15.369 11.073 1.00 0.00 H new ATOM 0 HG22 THR A 71 -1.379 13.639 11.141 1.00 0.00 H new ATOM 0 HG23 THR A 71 -0.463 14.281 9.757 1.00 0.00 H new ATOM 1079 N TRP A 72 -4.492 11.689 9.156 1.00 0.00 N ATOM 1080 CA TRP A 72 -5.276 10.699 9.885 1.00 0.00 C ATOM 1081 C TRP A 72 -6.410 11.363 10.657 1.00 0.00 C ATOM 1082 O TRP A 72 -6.617 11.086 11.839 1.00 0.00 O ATOM 1083 CB TRP A 72 -4.379 9.916 10.846 1.00 0.00 C ATOM 1084 CG TRP A 72 -3.162 9.341 10.187 1.00 0.00 C ATOM 1085 CD1 TRP A 72 -1.953 9.954 10.022 1.00 0.00 C ATOM 1086 CD2 TRP A 72 -3.037 8.039 9.605 1.00 0.00 C ATOM 1087 NE1 TRP A 72 -1.084 9.112 9.371 1.00 0.00 N ATOM 1088 CE2 TRP A 72 -1.724 7.930 9.105 1.00 0.00 C ATOM 1089 CE3 TRP A 72 -3.905 6.954 9.458 1.00 0.00 C ATOM 1090 CZ2 TRP A 72 -1.263 6.781 8.470 1.00 0.00 C ATOM 1091 CZ3 TRP A 72 -3.446 5.814 8.827 1.00 0.00 C ATOM 1092 CH2 TRP A 72 -2.134 5.734 8.340 1.00 0.00 C ATOM 0 H TRP A 72 -4.569 11.624 8.141 1.00 0.00 H new ATOM 0 HA TRP A 72 -5.710 10.010 9.160 1.00 0.00 H new ATOM 0 HB2 TRP A 72 -4.068 10.573 11.658 1.00 0.00 H new ATOM 0 HB3 TRP A 72 -4.957 9.108 11.294 1.00 0.00 H new ATOM 0 HD1 TRP A 72 -1.715 10.954 10.354 1.00 0.00 H new ATOM 0 HE1 TRP A 72 -0.119 9.331 9.125 1.00 0.00 H new ATOM 0 HE3 TRP A 72 -4.917 7.006 9.831 1.00 0.00 H new ATOM 0 HZ2 TRP A 72 -0.253 6.718 8.093 1.00 0.00 H new ATOM 0 HZ3 TRP A 72 -4.109 4.970 8.707 1.00 0.00 H new ATOM 0 HH2 TRP A 72 -1.804 4.828 7.853 1.00 0.00 H new ATOM 1103 N LYS A 73 -7.143 12.243 9.982 1.00 0.00 N ATOM 1104 CA LYS A 73 -8.258 12.947 10.604 1.00 0.00 C ATOM 1105 C LYS A 73 -9.571 12.616 9.900 1.00 0.00 C ATOM 1106 O LYS A 73 -10.621 12.528 10.535 1.00 0.00 O ATOM 1107 CB LYS A 73 -8.016 14.458 10.571 1.00 0.00 C ATOM 1108 CG LYS A 73 -6.978 14.929 11.575 1.00 0.00 C ATOM 1109 CD LYS A 73 -7.279 16.334 12.070 1.00 0.00 C ATOM 1110 CE LYS A 73 -6.801 17.387 11.083 1.00 0.00 C ATOM 1111 NZ LYS A 73 -7.432 18.712 11.337 1.00 0.00 N ATOM 0 H LYS A 73 -6.984 12.485 9.004 1.00 0.00 H new ATOM 0 HA LYS A 73 -8.329 12.619 11.641 1.00 0.00 H new ATOM 0 HB2 LYS A 73 -7.697 14.745 9.569 1.00 0.00 H new ATOM 0 HB3 LYS A 73 -8.957 14.973 10.765 1.00 0.00 H new ATOM 0 HG2 LYS A 73 -6.951 14.242 12.421 1.00 0.00 H new ATOM 0 HG3 LYS A 73 -5.990 14.908 11.115 1.00 0.00 H new ATOM 0 HD2 LYS A 73 -8.352 16.443 12.229 1.00 0.00 H new ATOM 0 HD3 LYS A 73 -6.797 16.492 13.035 1.00 0.00 H new ATOM 0 HE2 LYS A 73 -5.717 17.482 11.150 1.00 0.00 H new ATOM 0 HE3 LYS A 73 -7.031 17.064 10.068 1.00 0.00 H new ATOM 0 HZ1 LYS A 73 -7.080 19.403 10.643 1.00 0.00 H new ATOM 0 HZ2 LYS A 73 -8.465 18.627 11.248 1.00 0.00 H new ATOM 0 HZ3 LYS A 73 -7.192 19.033 12.297 1.00 0.00 H new ATOM 1125 N SER A 74 -9.502 12.433 8.585 1.00 0.00 N ATOM 1126 CA SER A 74 -10.685 12.114 7.795 1.00 0.00 C ATOM 1127 C SER A 74 -10.397 10.976 6.821 1.00 0.00 C ATOM 1128 O SER A 74 -10.207 11.201 5.625 1.00 0.00 O ATOM 1129 CB SER A 74 -11.160 13.350 7.028 1.00 0.00 C ATOM 1130 OG SER A 74 -12.545 13.269 6.738 1.00 0.00 O ATOM 0 H SER A 74 -8.639 12.500 8.045 1.00 0.00 H new ATOM 0 HA SER A 74 -11.472 11.794 8.477 1.00 0.00 H new ATOM 0 HB2 SER A 74 -10.960 14.246 7.616 1.00 0.00 H new ATOM 0 HB3 SER A 74 -10.596 13.445 6.100 1.00 0.00 H new ATOM 0 HG SER A 74 -12.824 14.071 6.249 1.00 0.00 H new ATOM 1136 N TYR A 75 -10.367 9.754 7.340 1.00 0.00 N ATOM 1137 CA TYR A 75 -10.100 8.580 6.518 1.00 0.00 C ATOM 1138 C TYR A 75 -11.382 7.796 6.255 1.00 0.00 C ATOM 1139 O TYR A 75 -12.343 7.877 7.021 1.00 0.00 O ATOM 1140 CB TYR A 75 -9.069 7.679 7.199 1.00 0.00 C ATOM 1141 CG TYR A 75 -9.545 7.098 8.511 1.00 0.00 C ATOM 1142 CD1 TYR A 75 -10.486 6.076 8.540 1.00 0.00 C ATOM 1143 CD2 TYR A 75 -9.054 7.571 9.722 1.00 0.00 C ATOM 1144 CE1 TYR A 75 -10.924 5.543 9.737 1.00 0.00 C ATOM 1145 CE2 TYR A 75 -9.486 7.043 10.923 1.00 0.00 C ATOM 1146 CZ TYR A 75 -10.421 6.029 10.925 1.00 0.00 C ATOM 1147 OH TYR A 75 -10.854 5.501 12.120 1.00 0.00 O ATOM 0 H TYR A 75 -10.524 9.550 8.327 1.00 0.00 H new ATOM 0 HA TYR A 75 -9.701 8.920 5.562 1.00 0.00 H new ATOM 0 HB2 TYR A 75 -8.809 6.864 6.524 1.00 0.00 H new ATOM 0 HB3 TYR A 75 -8.158 8.251 7.374 1.00 0.00 H new ATOM 0 HD1 TYR A 75 -10.882 5.692 7.611 1.00 0.00 H new ATOM 0 HD2 TYR A 75 -8.322 8.365 9.724 1.00 0.00 H new ATOM 0 HE1 TYR A 75 -11.657 4.750 9.742 1.00 0.00 H new ATOM 0 HE2 TYR A 75 -9.094 7.422 11.855 1.00 0.00 H new ATOM 0 HH TYR A 75 -10.400 5.954 12.861 1.00 0.00 H new ATOM 1157 N THR A 76 -11.390 7.037 5.163 1.00 0.00 N ATOM 1158 CA THR A 76 -12.553 6.238 4.797 1.00 0.00 C ATOM 1159 C THR A 76 -12.188 4.764 4.665 1.00 0.00 C ATOM 1160 O THR A 76 -11.143 4.421 4.112 1.00 0.00 O ATOM 1161 CB THR A 76 -13.172 6.723 3.472 1.00 0.00 C ATOM 1162 OG1 THR A 76 -13.450 8.125 3.545 1.00 0.00 O ATOM 1163 CG2 THR A 76 -14.452 5.962 3.163 1.00 0.00 C ATOM 0 H THR A 76 -10.604 6.959 4.517 1.00 0.00 H new ATOM 0 HA THR A 76 -13.284 6.358 5.597 1.00 0.00 H new ATOM 0 HB THR A 76 -12.455 6.537 2.672 1.00 0.00 H new ATOM 0 HG1 THR A 76 -13.842 8.425 2.698 1.00 0.00 H new ATOM 0 HG21 THR A 76 -14.871 6.321 2.223 1.00 0.00 H new ATOM 0 HG22 THR A 76 -14.231 4.898 3.079 1.00 0.00 H new ATOM 0 HG23 THR A 76 -15.172 6.121 3.966 1.00 0.00 H new ATOM 1171 N ASP A 77 -13.055 3.897 5.176 1.00 0.00 N ATOM 1172 CA ASP A 77 -12.824 2.458 5.113 1.00 0.00 C ATOM 1173 C ASP A 77 -13.223 1.903 3.750 1.00 0.00 C ATOM 1174 O ASP A 77 -14.391 1.957 3.363 1.00 0.00 O ATOM 1175 CB ASP A 77 -13.608 1.747 6.217 1.00 0.00 C ATOM 1176 CG ASP A 77 -12.894 1.791 7.554 1.00 0.00 C ATOM 1177 OD1 ASP A 77 -12.062 0.896 7.813 1.00 0.00 O ATOM 1178 OD2 ASP A 77 -13.168 2.720 8.342 1.00 0.00 O ATOM 0 H ASP A 77 -13.924 4.165 5.638 1.00 0.00 H new ATOM 0 HA ASP A 77 -11.759 2.278 5.260 1.00 0.00 H new ATOM 0 HB2 ASP A 77 -14.590 2.210 6.317 1.00 0.00 H new ATOM 0 HB3 ASP A 77 -13.773 0.708 5.930 1.00 0.00 H new ATOM 1183 N PHE A 78 -12.246 1.369 3.025 1.00 0.00 N ATOM 1184 CA PHE A 78 -12.495 0.805 1.703 1.00 0.00 C ATOM 1185 C PHE A 78 -12.439 -0.719 1.743 1.00 0.00 C ATOM 1186 O PHE A 78 -11.442 -1.319 2.146 1.00 0.00 O ATOM 1187 CB PHE A 78 -11.472 1.338 0.697 1.00 0.00 C ATOM 1188 CG PHE A 78 -11.235 2.817 0.810 1.00 0.00 C ATOM 1189 CD1 PHE A 78 -12.152 3.720 0.297 1.00 0.00 C ATOM 1190 CD2 PHE A 78 -10.095 3.304 1.429 1.00 0.00 C ATOM 1191 CE1 PHE A 78 -11.938 5.081 0.399 1.00 0.00 C ATOM 1192 CE2 PHE A 78 -9.875 4.665 1.534 1.00 0.00 C ATOM 1193 CZ PHE A 78 -10.797 5.554 1.018 1.00 0.00 C ATOM 0 H PHE A 78 -11.274 1.315 3.330 1.00 0.00 H new ATOM 0 HA PHE A 78 -13.494 1.106 1.389 1.00 0.00 H new ATOM 0 HB2 PHE A 78 -10.527 0.815 0.840 1.00 0.00 H new ATOM 0 HB3 PHE A 78 -11.813 1.109 -0.312 1.00 0.00 H new ATOM 0 HD1 PHE A 78 -13.045 3.355 -0.189 1.00 0.00 H new ATOM 0 HD2 PHE A 78 -9.370 2.613 1.834 1.00 0.00 H new ATOM 0 HE1 PHE A 78 -12.661 5.774 -0.004 1.00 0.00 H new ATOM 0 HE2 PHE A 78 -8.983 5.032 2.019 1.00 0.00 H new ATOM 0 HZ PHE A 78 -10.626 6.617 1.098 1.00 0.00 H new ATOM 1203 N PRO A 79 -13.535 -1.363 1.316 1.00 0.00 N ATOM 1204 CA PRO A 79 -13.637 -2.825 1.293 1.00 0.00 C ATOM 1205 C PRO A 79 -12.737 -3.452 0.233 1.00 0.00 C ATOM 1206 O PRO A 79 -12.746 -3.036 -0.926 1.00 0.00 O ATOM 1207 CB PRO A 79 -15.110 -3.073 0.959 1.00 0.00 C ATOM 1208 CG PRO A 79 -15.544 -1.849 0.227 1.00 0.00 C ATOM 1209 CD PRO A 79 -14.761 -0.712 0.822 1.00 0.00 C ATOM 0 HA PRO A 79 -13.319 -3.271 2.236 1.00 0.00 H new ATOM 0 HB2 PRO A 79 -15.232 -3.965 0.345 1.00 0.00 H new ATOM 0 HB3 PRO A 79 -15.701 -3.224 1.862 1.00 0.00 H new ATOM 0 HG2 PRO A 79 -15.347 -1.942 -0.841 1.00 0.00 H new ATOM 0 HG3 PRO A 79 -16.616 -1.686 0.340 1.00 0.00 H new ATOM 0 HD2 PRO A 79 -14.538 0.054 0.079 1.00 0.00 H new ATOM 0 HD3 PRO A 79 -15.310 -0.225 1.628 1.00 0.00 H new ATOM 1217 N CYS A 80 -11.964 -4.453 0.638 1.00 0.00 N ATOM 1218 CA CYS A 80 -11.058 -5.137 -0.278 1.00 0.00 C ATOM 1219 C CYS A 80 -11.767 -6.285 -0.989 1.00 0.00 C ATOM 1220 O CYS A 80 -12.610 -6.964 -0.402 1.00 0.00 O ATOM 1221 CB CYS A 80 -9.838 -5.666 0.479 1.00 0.00 C ATOM 1222 SG CYS A 80 -8.738 -4.373 1.101 1.00 0.00 S ATOM 0 H CYS A 80 -11.946 -4.809 1.594 1.00 0.00 H new ATOM 0 HA CYS A 80 -10.728 -4.418 -1.028 1.00 0.00 H new ATOM 0 HB2 CYS A 80 -10.179 -6.272 1.318 1.00 0.00 H new ATOM 0 HB3 CYS A 80 -9.272 -6.324 -0.180 1.00 0.00 H new ATOM 0 HG CYS A 80 -7.505 -4.777 1.021 1.00 0.00 H new ATOM 1228 N GLN A 81 -11.422 -6.494 -2.255 1.00 0.00 N ATOM 1229 CA GLN A 81 -12.028 -7.558 -3.046 1.00 0.00 C ATOM 1230 C GLN A 81 -11.196 -8.833 -2.972 1.00 0.00 C ATOM 1231 O GLN A 81 -10.208 -8.900 -2.239 1.00 0.00 O ATOM 1232 CB GLN A 81 -12.178 -7.117 -4.503 1.00 0.00 C ATOM 1233 CG GLN A 81 -13.131 -5.947 -4.690 1.00 0.00 C ATOM 1234 CD GLN A 81 -13.792 -5.945 -6.054 1.00 0.00 C ATOM 1235 OE1 GLN A 81 -14.646 -6.784 -6.344 1.00 0.00 O ATOM 1236 NE2 GLN A 81 -13.401 -5.000 -6.901 1.00 0.00 N ATOM 0 H GLN A 81 -10.726 -5.941 -2.755 1.00 0.00 H new ATOM 0 HA GLN A 81 -13.015 -7.766 -2.633 1.00 0.00 H new ATOM 0 HB2 GLN A 81 -11.198 -6.843 -4.893 1.00 0.00 H new ATOM 0 HB3 GLN A 81 -12.532 -7.961 -5.095 1.00 0.00 H new ATOM 0 HG2 GLN A 81 -13.900 -5.983 -3.918 1.00 0.00 H new ATOM 0 HG3 GLN A 81 -12.585 -5.013 -4.554 1.00 0.00 H new ATOM 0 HE21 GLN A 81 -12.690 -4.325 -6.619 1.00 0.00 H new ATOM 0 HE22 GLN A 81 -13.811 -4.949 -7.833 1.00 0.00 H new ATOM 1245 N TYR A 82 -11.601 -9.844 -3.733 1.00 0.00 N ATOM 1246 CA TYR A 82 -10.894 -11.119 -3.751 1.00 0.00 C ATOM 1247 C TYR A 82 -10.285 -11.385 -5.125 1.00 0.00 C ATOM 1248 O TYR A 82 -10.940 -11.208 -6.152 1.00 0.00 O ATOM 1249 CB TYR A 82 -11.842 -12.257 -3.372 1.00 0.00 C ATOM 1250 CG TYR A 82 -11.156 -13.598 -3.238 1.00 0.00 C ATOM 1251 CD1 TYR A 82 -10.583 -14.220 -4.340 1.00 0.00 C ATOM 1252 CD2 TYR A 82 -11.080 -14.242 -2.009 1.00 0.00 C ATOM 1253 CE1 TYR A 82 -9.956 -15.445 -4.223 1.00 0.00 C ATOM 1254 CE2 TYR A 82 -10.453 -15.466 -1.882 1.00 0.00 C ATOM 1255 CZ TYR A 82 -9.893 -16.064 -2.992 1.00 0.00 C ATOM 1256 OH TYR A 82 -9.268 -17.284 -2.870 1.00 0.00 O ATOM 0 H TYR A 82 -12.416 -9.805 -4.346 1.00 0.00 H new ATOM 0 HA TYR A 82 -10.087 -11.069 -3.020 1.00 0.00 H new ATOM 0 HB2 TYR A 82 -12.331 -12.013 -2.429 1.00 0.00 H new ATOM 0 HB3 TYR A 82 -12.625 -12.333 -4.126 1.00 0.00 H new ATOM 0 HD1 TYR A 82 -10.629 -13.737 -5.305 1.00 0.00 H new ATOM 0 HD2 TYR A 82 -11.519 -13.777 -1.138 1.00 0.00 H new ATOM 0 HE1 TYR A 82 -9.517 -15.916 -5.091 1.00 0.00 H new ATOM 0 HE2 TYR A 82 -10.401 -15.952 -0.919 1.00 0.00 H new ATOM 0 HH TYR A 82 -9.310 -17.581 -1.937 1.00 0.00 H new ATOM 1266 N VAL A 83 -9.027 -11.813 -5.134 1.00 0.00 N ATOM 1267 CA VAL A 83 -8.329 -12.106 -6.380 1.00 0.00 C ATOM 1268 C VAL A 83 -8.446 -13.582 -6.742 1.00 0.00 C ATOM 1269 O VAL A 83 -8.045 -14.455 -5.973 1.00 0.00 O ATOM 1270 CB VAL A 83 -6.838 -11.728 -6.291 1.00 0.00 C ATOM 1271 CG1 VAL A 83 -6.127 -12.046 -7.597 1.00 0.00 C ATOM 1272 CG2 VAL A 83 -6.682 -10.257 -5.934 1.00 0.00 C ATOM 0 H VAL A 83 -8.470 -11.965 -4.293 1.00 0.00 H new ATOM 0 HA VAL A 83 -8.803 -11.505 -7.156 1.00 0.00 H new ATOM 0 HB VAL A 83 -6.377 -12.321 -5.501 1.00 0.00 H new ATOM 0 HG11 VAL A 83 -5.075 -11.772 -7.515 1.00 0.00 H new ATOM 0 HG12 VAL A 83 -6.209 -13.113 -7.806 1.00 0.00 H new ATOM 0 HG13 VAL A 83 -6.587 -11.481 -8.408 1.00 0.00 H new ATOM 0 HG21 VAL A 83 -5.623 -10.007 -5.875 1.00 0.00 H new ATOM 0 HG22 VAL A 83 -7.157 -9.644 -6.700 1.00 0.00 H new ATOM 0 HG23 VAL A 83 -7.154 -10.064 -4.971 1.00 0.00 H new ATOM 1415 N ASP A 93 -4.928 -16.858 0.367 1.00 0.00 N ATOM 1416 CA ASP A 93 -6.028 -15.999 -0.058 1.00 0.00 C ATOM 1417 C ASP A 93 -5.534 -14.584 -0.343 1.00 0.00 C ATOM 1418 O ASP A 93 -5.216 -13.828 0.576 1.00 0.00 O ATOM 1419 CB ASP A 93 -7.120 -15.965 1.013 1.00 0.00 C ATOM 1420 CG ASP A 93 -7.859 -17.284 1.129 1.00 0.00 C ATOM 1421 OD1 ASP A 93 -7.379 -18.170 1.866 1.00 0.00 O ATOM 1422 OD2 ASP A 93 -8.916 -17.430 0.481 1.00 0.00 O ATOM 0 HA ASP A 93 -6.444 -16.411 -0.977 1.00 0.00 H new ATOM 0 HB2 ASP A 93 -6.673 -15.716 1.976 1.00 0.00 H new ATOM 0 HB3 ASP A 93 -7.831 -15.173 0.778 1.00 0.00 H new ATOM 1427 N THR A 94 -5.471 -14.232 -1.623 1.00 0.00 N ATOM 1428 CA THR A 94 -5.014 -12.909 -2.030 1.00 0.00 C ATOM 1429 C THR A 94 -6.190 -11.969 -2.266 1.00 0.00 C ATOM 1430 O THR A 94 -7.063 -12.245 -3.089 1.00 0.00 O ATOM 1431 CB THR A 94 -4.162 -12.979 -3.312 1.00 0.00 C ATOM 1432 OG1 THR A 94 -3.060 -13.872 -3.120 1.00 0.00 O ATOM 1433 CG2 THR A 94 -3.644 -11.600 -3.694 1.00 0.00 C ATOM 0 H THR A 94 -5.731 -14.845 -2.396 1.00 0.00 H new ATOM 0 HA THR A 94 -4.401 -12.522 -1.216 1.00 0.00 H new ATOM 0 HB THR A 94 -4.792 -13.350 -4.121 1.00 0.00 H new ATOM 0 HG1 THR A 94 -2.525 -13.912 -3.940 1.00 0.00 H new ATOM 0 HG21 THR A 94 -3.045 -11.675 -4.602 1.00 0.00 H new ATOM 0 HG22 THR A 94 -4.486 -10.931 -3.869 1.00 0.00 H new ATOM 0 HG23 THR A 94 -3.029 -11.206 -2.885 1.00 0.00 H new ATOM 1441 N PHE A 95 -6.207 -10.857 -1.539 1.00 0.00 N ATOM 1442 CA PHE A 95 -7.278 -9.875 -1.669 1.00 0.00 C ATOM 1443 C PHE A 95 -6.804 -8.654 -2.452 1.00 0.00 C ATOM 1444 O PHE A 95 -5.605 -8.395 -2.553 1.00 0.00 O ATOM 1445 CB PHE A 95 -7.776 -9.446 -0.287 1.00 0.00 C ATOM 1446 CG PHE A 95 -8.277 -10.588 0.551 1.00 0.00 C ATOM 1447 CD1 PHE A 95 -7.389 -11.471 1.143 1.00 0.00 C ATOM 1448 CD2 PHE A 95 -9.635 -10.778 0.745 1.00 0.00 C ATOM 1449 CE1 PHE A 95 -7.846 -12.523 1.915 1.00 0.00 C ATOM 1450 CE2 PHE A 95 -10.099 -11.827 1.516 1.00 0.00 C ATOM 1451 CZ PHE A 95 -9.203 -12.701 2.101 1.00 0.00 C ATOM 0 H PHE A 95 -5.492 -10.613 -0.854 1.00 0.00 H new ATOM 0 HA PHE A 95 -8.099 -10.340 -2.216 1.00 0.00 H new ATOM 0 HB2 PHE A 95 -6.966 -8.945 0.243 1.00 0.00 H new ATOM 0 HB3 PHE A 95 -8.577 -8.716 -0.408 1.00 0.00 H new ATOM 0 HD1 PHE A 95 -6.327 -11.336 1.000 1.00 0.00 H new ATOM 0 HD2 PHE A 95 -10.340 -10.099 0.289 1.00 0.00 H new ATOM 0 HE1 PHE A 95 -7.143 -13.204 2.372 1.00 0.00 H new ATOM 0 HE2 PHE A 95 -11.161 -11.963 1.661 1.00 0.00 H new ATOM 0 HZ PHE A 95 -9.563 -13.522 2.703 1.00 0.00 H new ATOM 1461 N SER A 96 -7.755 -7.909 -3.007 1.00 0.00 N ATOM 1462 CA SER A 96 -7.436 -6.718 -3.785 1.00 0.00 C ATOM 1463 C SER A 96 -8.140 -5.491 -3.214 1.00 0.00 C ATOM 1464 O SER A 96 -8.999 -5.604 -2.340 1.00 0.00 O ATOM 1465 CB SER A 96 -7.838 -6.916 -5.248 1.00 0.00 C ATOM 1466 OG SER A 96 -7.364 -5.853 -6.056 1.00 0.00 O ATOM 0 H SER A 96 -8.752 -8.109 -2.932 1.00 0.00 H new ATOM 0 HA SER A 96 -6.360 -6.556 -3.730 1.00 0.00 H new ATOM 0 HB2 SER A 96 -7.437 -7.861 -5.614 1.00 0.00 H new ATOM 0 HB3 SER A 96 -8.923 -6.979 -5.325 1.00 0.00 H new ATOM 0 HG SER A 96 -7.633 -6.004 -6.986 1.00 0.00 H new ATOM 1472 N PHE A 97 -7.769 -4.317 -3.715 1.00 0.00 N ATOM 1473 CA PHE A 97 -8.363 -3.067 -3.255 1.00 0.00 C ATOM 1474 C PHE A 97 -8.276 -1.993 -4.336 1.00 0.00 C ATOM 1475 O PHE A 97 -7.220 -1.784 -4.934 1.00 0.00 O ATOM 1476 CB PHE A 97 -7.665 -2.584 -1.982 1.00 0.00 C ATOM 1477 CG PHE A 97 -6.280 -2.053 -2.223 1.00 0.00 C ATOM 1478 CD1 PHE A 97 -6.092 -0.804 -2.791 1.00 0.00 C ATOM 1479 CD2 PHE A 97 -5.167 -2.804 -1.880 1.00 0.00 C ATOM 1480 CE1 PHE A 97 -4.819 -0.313 -3.014 1.00 0.00 C ATOM 1481 CE2 PHE A 97 -3.892 -2.319 -2.100 1.00 0.00 C ATOM 1482 CZ PHE A 97 -3.718 -1.071 -2.667 1.00 0.00 C ATOM 0 H PHE A 97 -7.060 -4.205 -4.440 1.00 0.00 H new ATOM 0 HA PHE A 97 -9.415 -3.252 -3.036 1.00 0.00 H new ATOM 0 HB2 PHE A 97 -8.269 -1.804 -1.519 1.00 0.00 H new ATOM 0 HB3 PHE A 97 -7.611 -3.409 -1.271 1.00 0.00 H new ATOM 0 HD1 PHE A 97 -6.950 -0.207 -3.063 1.00 0.00 H new ATOM 0 HD2 PHE A 97 -5.298 -3.780 -1.436 1.00 0.00 H new ATOM 0 HE1 PHE A 97 -4.686 0.662 -3.459 1.00 0.00 H new ATOM 0 HE2 PHE A 97 -3.033 -2.915 -1.829 1.00 0.00 H new ATOM 0 HZ PHE A 97 -2.723 -0.689 -2.839 1.00 0.00 H new ATOM 1492 N ASP A 98 -9.392 -1.317 -4.581 1.00 0.00 N ATOM 1493 CA ASP A 98 -9.443 -0.264 -5.589 1.00 0.00 C ATOM 1494 C ASP A 98 -10.039 1.015 -5.009 1.00 0.00 C ATOM 1495 O ASP A 98 -11.247 1.103 -4.786 1.00 0.00 O ATOM 1496 CB ASP A 98 -10.264 -0.723 -6.795 1.00 0.00 C ATOM 1497 CG ASP A 98 -11.750 -0.778 -6.497 1.00 0.00 C ATOM 1498 OD1 ASP A 98 -12.179 -1.716 -5.793 1.00 0.00 O ATOM 1499 OD2 ASP A 98 -12.482 0.117 -6.967 1.00 0.00 O ATOM 0 H ASP A 98 -10.274 -1.479 -4.096 1.00 0.00 H new ATOM 0 HA ASP A 98 -8.423 -0.054 -5.912 1.00 0.00 H new ATOM 0 HB2 ASP A 98 -10.089 -0.044 -7.630 1.00 0.00 H new ATOM 0 HB3 ASP A 98 -9.923 -1.709 -7.109 1.00 0.00 H new ATOM 1504 N ILE A 99 -9.184 2.003 -4.766 1.00 0.00 N ATOM 1505 CA ILE A 99 -9.626 3.276 -4.212 1.00 0.00 C ATOM 1506 C ILE A 99 -9.610 4.372 -5.273 1.00 0.00 C ATOM 1507 O ILE A 99 -8.698 4.439 -6.097 1.00 0.00 O ATOM 1508 CB ILE A 99 -8.744 3.711 -3.027 1.00 0.00 C ATOM 1509 CG1 ILE A 99 -8.914 2.744 -1.854 1.00 0.00 C ATOM 1510 CG2 ILE A 99 -9.089 5.131 -2.604 1.00 0.00 C ATOM 1511 CD1 ILE A 99 -7.767 2.782 -0.868 1.00 0.00 C ATOM 0 H ILE A 99 -8.181 1.946 -4.944 1.00 0.00 H new ATOM 0 HA ILE A 99 -10.647 3.130 -3.859 1.00 0.00 H new ATOM 0 HB ILE A 99 -7.701 3.689 -3.342 1.00 0.00 H new ATOM 0 HG12 ILE A 99 -9.840 2.980 -1.330 1.00 0.00 H new ATOM 0 HG13 ILE A 99 -9.016 1.730 -2.241 1.00 0.00 H new ATOM 0 HG21 ILE A 99 -8.457 5.424 -1.765 1.00 0.00 H new ATOM 0 HG22 ILE A 99 -8.921 5.810 -3.440 1.00 0.00 H new ATOM 0 HG23 ILE A 99 -10.136 5.177 -2.303 1.00 0.00 H new ATOM 0 HD11 ILE A 99 -7.955 2.071 -0.063 1.00 0.00 H new ATOM 0 HD12 ILE A 99 -6.841 2.517 -1.377 1.00 0.00 H new ATOM 0 HD13 ILE A 99 -7.678 3.786 -0.452 1.00 0.00 H new ATOM 1523 N SER A 100 -10.625 5.230 -5.244 1.00 0.00 N ATOM 1524 CA SER A 100 -10.729 6.323 -6.204 1.00 0.00 C ATOM 1525 C SER A 100 -10.288 7.641 -5.577 1.00 0.00 C ATOM 1526 O SER A 100 -11.084 8.341 -4.949 1.00 0.00 O ATOM 1527 CB SER A 100 -12.165 6.444 -6.718 1.00 0.00 C ATOM 1528 OG SER A 100 -12.648 5.195 -7.180 1.00 0.00 O ATOM 0 H SER A 100 -11.387 5.189 -4.567 1.00 0.00 H new ATOM 0 HA SER A 100 -10.068 6.101 -7.042 1.00 0.00 H new ATOM 0 HB2 SER A 100 -12.810 6.815 -5.921 1.00 0.00 H new ATOM 0 HB3 SER A 100 -12.205 7.174 -7.526 1.00 0.00 H new ATOM 0 HG SER A 100 -13.568 5.299 -7.502 1.00 0.00 H new ATOM 1534 N LEU A 101 -9.014 7.976 -5.750 1.00 0.00 N ATOM 1535 CA LEU A 101 -8.465 9.211 -5.201 1.00 0.00 C ATOM 1536 C LEU A 101 -9.492 10.337 -5.262 1.00 0.00 C ATOM 1537 O LEU A 101 -10.390 10.347 -6.105 1.00 0.00 O ATOM 1538 CB LEU A 101 -7.202 9.614 -5.965 1.00 0.00 C ATOM 1539 CG LEU A 101 -6.024 8.644 -5.874 1.00 0.00 C ATOM 1540 CD1 LEU A 101 -4.857 9.141 -6.712 1.00 0.00 C ATOM 1541 CD2 LEU A 101 -5.599 8.455 -4.424 1.00 0.00 C ATOM 0 H LEU A 101 -8.341 7.409 -6.267 1.00 0.00 H new ATOM 0 HA LEU A 101 -8.209 9.034 -4.156 1.00 0.00 H new ATOM 0 HB2 LEU A 101 -7.462 9.740 -7.016 1.00 0.00 H new ATOM 0 HB3 LEU A 101 -6.875 10.587 -5.598 1.00 0.00 H new ATOM 0 HG LEU A 101 -6.342 7.679 -6.268 1.00 0.00 H new ATOM 0 HD11 LEU A 101 -4.028 8.438 -6.635 1.00 0.00 H new ATOM 0 HD12 LEU A 101 -5.167 9.224 -7.754 1.00 0.00 H new ATOM 0 HD13 LEU A 101 -4.539 10.118 -6.349 1.00 0.00 H new ATOM 0 HD21 LEU A 101 -4.759 7.761 -4.378 1.00 0.00 H new ATOM 0 HD22 LEU A 101 -5.299 9.415 -4.004 1.00 0.00 H new ATOM 0 HD23 LEU A 101 -6.434 8.053 -3.850 1.00 0.00 H new ATOM 1553 N PRO A 102 -9.357 11.311 -4.350 1.00 0.00 N ATOM 1554 CA PRO A 102 -10.262 12.462 -4.281 1.00 0.00 C ATOM 1555 C PRO A 102 -10.086 13.410 -5.462 1.00 0.00 C ATOM 1556 O PRO A 102 -9.143 13.275 -6.242 1.00 0.00 O ATOM 1557 CB PRO A 102 -9.858 13.153 -2.976 1.00 0.00 C ATOM 1558 CG PRO A 102 -8.439 12.755 -2.760 1.00 0.00 C ATOM 1559 CD PRO A 102 -8.310 11.364 -3.316 1.00 0.00 C ATOM 0 HA PRO A 102 -11.309 12.160 -4.313 1.00 0.00 H new ATOM 0 HB2 PRO A 102 -9.958 14.236 -3.054 1.00 0.00 H new ATOM 0 HB3 PRO A 102 -10.489 12.833 -2.147 1.00 0.00 H new ATOM 0 HG2 PRO A 102 -7.760 13.442 -3.265 1.00 0.00 H new ATOM 0 HG3 PRO A 102 -8.184 12.777 -1.700 1.00 0.00 H new ATOM 0 HD2 PRO A 102 -7.320 11.190 -3.737 1.00 0.00 H new ATOM 0 HD3 PRO A 102 -8.466 10.608 -2.547 1.00 0.00 H new ATOM 1687 N ARG A 110 -0.748 15.815 5.442 1.00 0.00 N ATOM 1688 CA ARG A 110 -0.162 14.480 5.403 1.00 0.00 C ATOM 1689 C ARG A 110 -1.052 13.518 4.621 1.00 0.00 C ATOM 1690 O ARG A 110 -2.278 13.624 4.656 1.00 0.00 O ATOM 1691 CB ARG A 110 0.053 13.953 6.823 1.00 0.00 C ATOM 1692 CG ARG A 110 0.376 12.469 6.879 1.00 0.00 C ATOM 1693 CD ARG A 110 1.876 12.223 6.819 1.00 0.00 C ATOM 1694 NE ARG A 110 2.564 12.745 7.997 1.00 0.00 N ATOM 1695 CZ ARG A 110 3.885 12.837 8.095 1.00 0.00 C ATOM 1696 NH1 ARG A 110 4.657 12.445 7.091 1.00 0.00 N ATOM 1697 NH2 ARG A 110 4.437 13.323 9.200 1.00 0.00 N ATOM 0 HA ARG A 110 0.802 14.548 4.898 1.00 0.00 H new ATOM 0 HB2 ARG A 110 0.865 14.511 7.290 1.00 0.00 H new ATOM 0 HB3 ARG A 110 -0.844 14.143 7.412 1.00 0.00 H new ATOM 0 HG2 ARG A 110 -0.027 12.042 7.797 1.00 0.00 H new ATOM 0 HG3 ARG A 110 -0.111 11.958 6.049 1.00 0.00 H new ATOM 0 HD2 ARG A 110 2.065 11.153 6.734 1.00 0.00 H new ATOM 0 HD3 ARG A 110 2.285 12.691 5.923 1.00 0.00 H new ATOM 0 HE ARG A 110 1.999 13.056 8.787 1.00 0.00 H new ATOM 0 HH11 ARG A 110 4.237 12.071 6.240 1.00 0.00 H new ATOM 0 HH12 ARG A 110 5.671 12.517 7.169 1.00 0.00 H new ATOM 0 HH21 ARG A 110 3.846 13.626 9.974 1.00 0.00 H new ATOM 0 HH22 ARG A 110 5.452 13.393 9.275 1.00 0.00 H new ATOM 1711 N MET A 111 -0.426 12.581 3.917 1.00 0.00 N ATOM 1712 CA MET A 111 -1.162 11.600 3.127 1.00 0.00 C ATOM 1713 C MET A 111 -0.501 10.228 3.213 1.00 0.00 C ATOM 1714 O MET A 111 0.624 10.042 2.750 1.00 0.00 O ATOM 1715 CB MET A 111 -1.245 12.049 1.667 1.00 0.00 C ATOM 1716 CG MET A 111 -1.923 11.037 0.758 1.00 0.00 C ATOM 1717 SD MET A 111 -2.401 11.741 -0.832 1.00 0.00 S ATOM 1718 CE MET A 111 -0.797 11.983 -1.591 1.00 0.00 C ATOM 0 H MET A 111 0.588 12.480 3.877 1.00 0.00 H new ATOM 0 HA MET A 111 -2.170 11.524 3.534 1.00 0.00 H new ATOM 0 HB2 MET A 111 -1.788 12.992 1.616 1.00 0.00 H new ATOM 0 HB3 MET A 111 -0.238 12.241 1.296 1.00 0.00 H new ATOM 0 HG2 MET A 111 -1.250 10.196 0.591 1.00 0.00 H new ATOM 0 HG3 MET A 111 -2.808 10.642 1.257 1.00 0.00 H new ATOM 0 HE1 MET A 111 -0.642 13.045 -1.783 1.00 0.00 H new ATOM 0 HE2 MET A 111 -0.019 11.618 -0.921 1.00 0.00 H new ATOM 0 HE3 MET A 111 -0.753 11.434 -2.532 1.00 0.00 H new ATOM 1728 N GLU A 112 -1.208 9.272 3.807 1.00 0.00 N ATOM 1729 CA GLU A 112 -0.688 7.917 3.953 1.00 0.00 C ATOM 1730 C GLU A 112 -1.823 6.917 4.152 1.00 0.00 C ATOM 1731 O GLU A 112 -2.974 7.301 4.359 1.00 0.00 O ATOM 1732 CB GLU A 112 0.283 7.845 5.134 1.00 0.00 C ATOM 1733 CG GLU A 112 1.305 8.969 5.152 1.00 0.00 C ATOM 1734 CD GLU A 112 2.273 8.859 6.313 1.00 0.00 C ATOM 1735 OE1 GLU A 112 1.810 8.665 7.456 1.00 0.00 O ATOM 1736 OE2 GLU A 112 3.495 8.968 6.079 1.00 0.00 O ATOM 0 H GLU A 112 -2.141 9.410 4.195 1.00 0.00 H new ATOM 0 HA GLU A 112 -0.156 7.658 3.037 1.00 0.00 H new ATOM 0 HB2 GLU A 112 -0.286 7.868 6.063 1.00 0.00 H new ATOM 0 HB3 GLU A 112 0.807 6.890 5.105 1.00 0.00 H new ATOM 0 HG2 GLU A 112 1.864 8.962 4.216 1.00 0.00 H new ATOM 0 HG3 GLU A 112 0.786 9.926 5.206 1.00 0.00 H new ATOM 1743 N PHE A 113 -1.490 5.632 4.088 1.00 0.00 N ATOM 1744 CA PHE A 113 -2.480 4.576 4.259 1.00 0.00 C ATOM 1745 C PHE A 113 -1.850 3.335 4.884 1.00 0.00 C ATOM 1746 O PHE A 113 -0.699 3.002 4.603 1.00 0.00 O ATOM 1747 CB PHE A 113 -3.113 4.218 2.913 1.00 0.00 C ATOM 1748 CG PHE A 113 -2.287 3.264 2.097 1.00 0.00 C ATOM 1749 CD1 PHE A 113 -2.174 1.934 2.468 1.00 0.00 C ATOM 1750 CD2 PHE A 113 -1.623 3.698 0.961 1.00 0.00 C ATOM 1751 CE1 PHE A 113 -1.415 1.053 1.720 1.00 0.00 C ATOM 1752 CE2 PHE A 113 -0.864 2.822 0.209 1.00 0.00 C ATOM 1753 CZ PHE A 113 -0.758 1.499 0.589 1.00 0.00 C ATOM 0 H PHE A 113 -0.541 5.297 3.919 1.00 0.00 H new ATOM 0 HA PHE A 113 -3.255 4.945 4.930 1.00 0.00 H new ATOM 0 HB2 PHE A 113 -4.095 3.778 3.088 1.00 0.00 H new ATOM 0 HB3 PHE A 113 -3.270 5.132 2.340 1.00 0.00 H new ATOM 0 HD1 PHE A 113 -2.685 1.581 3.352 1.00 0.00 H new ATOM 0 HD2 PHE A 113 -1.700 4.732 0.660 1.00 0.00 H new ATOM 0 HE1 PHE A 113 -1.336 0.018 2.019 1.00 0.00 H new ATOM 0 HE2 PHE A 113 -0.354 3.172 -0.676 1.00 0.00 H new ATOM 0 HZ PHE A 113 -0.163 0.814 0.004 1.00 0.00 H new ATOM 1763 N ALA A 114 -2.613 2.655 5.734 1.00 0.00 N ATOM 1764 CA ALA A 114 -2.130 1.451 6.398 1.00 0.00 C ATOM 1765 C ALA A 114 -3.113 0.298 6.225 1.00 0.00 C ATOM 1766 O ALA A 114 -4.327 0.489 6.291 1.00 0.00 O ATOM 1767 CB ALA A 114 -1.888 1.724 7.875 1.00 0.00 C ATOM 0 H ALA A 114 -3.568 2.918 5.979 1.00 0.00 H new ATOM 0 HA ALA A 114 -1.187 1.163 5.934 1.00 0.00 H new ATOM 0 HB1 ALA A 114 -1.528 0.816 8.359 1.00 0.00 H new ATOM 0 HB2 ALA A 114 -1.143 2.512 7.982 1.00 0.00 H new ATOM 0 HB3 ALA A 114 -2.820 2.039 8.344 1.00 0.00 H new ATOM 1773 N VAL A 115 -2.580 -0.899 6.003 1.00 0.00 N ATOM 1774 CA VAL A 115 -3.411 -2.084 5.820 1.00 0.00 C ATOM 1775 C VAL A 115 -3.951 -2.587 7.154 1.00 0.00 C ATOM 1776 O VAL A 115 -3.259 -2.544 8.172 1.00 0.00 O ATOM 1777 CB VAL A 115 -2.627 -3.219 5.136 1.00 0.00 C ATOM 1778 CG1 VAL A 115 -3.535 -4.409 4.867 1.00 0.00 C ATOM 1779 CG2 VAL A 115 -1.988 -2.724 3.848 1.00 0.00 C ATOM 0 H VAL A 115 -1.577 -1.074 5.945 1.00 0.00 H new ATOM 0 HA VAL A 115 -4.244 -1.791 5.181 1.00 0.00 H new ATOM 0 HB VAL A 115 -1.832 -3.544 5.808 1.00 0.00 H new ATOM 0 HG11 VAL A 115 -2.963 -5.201 4.383 1.00 0.00 H new ATOM 0 HG12 VAL A 115 -3.940 -4.778 5.809 1.00 0.00 H new ATOM 0 HG13 VAL A 115 -4.353 -4.102 4.215 1.00 0.00 H new ATOM 0 HG21 VAL A 115 -1.438 -3.539 3.378 1.00 0.00 H new ATOM 0 HG22 VAL A 115 -2.764 -2.371 3.169 1.00 0.00 H new ATOM 0 HG23 VAL A 115 -1.303 -1.906 4.072 1.00 0.00 H new ATOM 1789 N TYR A 116 -5.191 -3.063 7.142 1.00 0.00 N ATOM 1790 CA TYR A 116 -5.826 -3.572 8.352 1.00 0.00 C ATOM 1791 C TYR A 116 -6.380 -4.976 8.127 1.00 0.00 C ATOM 1792 O TYR A 116 -7.494 -5.144 7.630 1.00 0.00 O ATOM 1793 CB TYR A 116 -6.949 -2.634 8.798 1.00 0.00 C ATOM 1794 CG TYR A 116 -8.094 -3.344 9.485 1.00 0.00 C ATOM 1795 CD1 TYR A 116 -7.874 -4.137 10.604 1.00 0.00 C ATOM 1796 CD2 TYR A 116 -9.395 -3.221 9.015 1.00 0.00 C ATOM 1797 CE1 TYR A 116 -8.917 -4.787 11.235 1.00 0.00 C ATOM 1798 CE2 TYR A 116 -10.445 -3.866 9.639 1.00 0.00 C ATOM 1799 CZ TYR A 116 -10.200 -4.649 10.749 1.00 0.00 C ATOM 1800 OH TYR A 116 -11.242 -5.294 11.375 1.00 0.00 O ATOM 0 H TYR A 116 -5.776 -3.107 6.308 1.00 0.00 H new ATOM 0 HA TYR A 116 -5.070 -3.620 9.136 1.00 0.00 H new ATOM 0 HB2 TYR A 116 -6.538 -1.885 9.475 1.00 0.00 H new ATOM 0 HB3 TYR A 116 -7.333 -2.101 7.928 1.00 0.00 H new ATOM 0 HD1 TYR A 116 -6.870 -4.247 10.987 1.00 0.00 H new ATOM 0 HD2 TYR A 116 -9.589 -2.610 8.146 1.00 0.00 H new ATOM 0 HE1 TYR A 116 -8.729 -5.400 12.104 1.00 0.00 H new ATOM 0 HE2 TYR A 116 -11.451 -3.758 9.261 1.00 0.00 H new ATOM 0 HH TYR A 116 -12.080 -5.092 10.908 1.00 0.00 H new ATOM 1810 N TYR A 117 -5.594 -5.981 8.496 1.00 0.00 N ATOM 1811 CA TYR A 117 -6.003 -7.371 8.333 1.00 0.00 C ATOM 1812 C TYR A 117 -6.511 -7.947 9.651 1.00 0.00 C ATOM 1813 O TYR A 117 -5.736 -8.186 10.576 1.00 0.00 O ATOM 1814 CB TYR A 117 -4.836 -8.211 7.813 1.00 0.00 C ATOM 1815 CG TYR A 117 -5.015 -9.697 8.028 1.00 0.00 C ATOM 1816 CD1 TYR A 117 -6.131 -10.360 7.534 1.00 0.00 C ATOM 1817 CD2 TYR A 117 -4.068 -10.437 8.725 1.00 0.00 C ATOM 1818 CE1 TYR A 117 -6.300 -11.718 7.729 1.00 0.00 C ATOM 1819 CE2 TYR A 117 -4.228 -11.795 8.924 1.00 0.00 C ATOM 1820 CZ TYR A 117 -5.345 -12.430 8.424 1.00 0.00 C ATOM 1821 OH TYR A 117 -5.509 -13.783 8.619 1.00 0.00 O ATOM 0 H TYR A 117 -4.670 -5.859 8.910 1.00 0.00 H new ATOM 0 HA TYR A 117 -6.815 -7.401 7.607 1.00 0.00 H new ATOM 0 HB2 TYR A 117 -4.708 -8.020 6.748 1.00 0.00 H new ATOM 0 HB3 TYR A 117 -3.919 -7.889 8.307 1.00 0.00 H new ATOM 0 HD1 TYR A 117 -6.880 -9.805 6.988 1.00 0.00 H new ATOM 0 HD2 TYR A 117 -3.192 -9.942 9.118 1.00 0.00 H new ATOM 0 HE1 TYR A 117 -7.174 -12.218 7.340 1.00 0.00 H new ATOM 0 HE2 TYR A 117 -3.482 -12.356 9.468 1.00 0.00 H new ATOM 0 HH TYR A 117 -5.414 -13.990 9.572 1.00 0.00 H new ATOM 1831 N GLU A 118 -7.820 -8.168 9.727 1.00 0.00 N ATOM 1832 CA GLU A 118 -8.433 -8.716 10.932 1.00 0.00 C ATOM 1833 C GLU A 118 -8.605 -10.228 10.815 1.00 0.00 C ATOM 1834 O GLU A 118 -9.011 -10.738 9.770 1.00 0.00 O ATOM 1835 CB GLU A 118 -9.789 -8.055 11.187 1.00 0.00 C ATOM 1836 CG GLU A 118 -10.202 -8.058 12.649 1.00 0.00 C ATOM 1837 CD GLU A 118 -10.526 -9.448 13.161 1.00 0.00 C ATOM 1838 OE1 GLU A 118 -11.354 -10.136 12.527 1.00 0.00 O ATOM 1839 OE2 GLU A 118 -9.952 -9.849 14.195 1.00 0.00 O ATOM 0 H GLU A 118 -8.476 -7.976 8.970 1.00 0.00 H new ATOM 0 HA GLU A 118 -7.772 -8.507 11.773 1.00 0.00 H new ATOM 0 HB2 GLU A 118 -9.755 -7.026 10.830 1.00 0.00 H new ATOM 0 HB3 GLU A 118 -10.551 -8.570 10.602 1.00 0.00 H new ATOM 0 HG2 GLU A 118 -9.399 -7.631 13.250 1.00 0.00 H new ATOM 0 HG3 GLU A 118 -11.073 -7.415 12.778 1.00 0.00 H new ATOM 1846 N CYS A 119 -8.292 -10.938 11.893 1.00 0.00 N ATOM 1847 CA CYS A 119 -8.411 -12.391 11.912 1.00 0.00 C ATOM 1848 C CYS A 119 -8.164 -12.939 13.315 1.00 0.00 C ATOM 1849 O CYS A 119 -7.451 -12.331 14.112 1.00 0.00 O ATOM 1850 CB CYS A 119 -7.423 -13.017 10.927 1.00 0.00 C ATOM 1851 SG CYS A 119 -5.699 -12.951 11.467 1.00 0.00 S ATOM 0 H CYS A 119 -7.954 -10.531 12.765 1.00 0.00 H new ATOM 0 HA CYS A 119 -9.426 -12.651 11.613 1.00 0.00 H new ATOM 0 HB2 CYS A 119 -7.701 -14.058 10.762 1.00 0.00 H new ATOM 0 HB3 CYS A 119 -7.512 -12.508 9.967 1.00 0.00 H new ATOM 0 HG CYS A 119 -4.945 -12.595 10.470 1.00 0.00 H new ATOM 1857 N ASN A 120 -8.762 -14.089 13.609 1.00 0.00 N ATOM 1858 CA ASN A 120 -8.609 -14.717 14.916 1.00 0.00 C ATOM 1859 C ASN A 120 -8.782 -13.694 16.035 1.00 0.00 C ATOM 1860 O ASN A 120 -8.007 -13.666 16.990 1.00 0.00 O ATOM 1861 CB ASN A 120 -7.236 -15.384 15.027 1.00 0.00 C ATOM 1862 CG ASN A 120 -7.198 -16.743 14.357 1.00 0.00 C ATOM 1863 OD1 ASN A 120 -6.568 -16.809 13.189 1.00 0.00 O flip ATOM 1864 ND2 ASN A 120 -7.728 -17.722 14.882 1.00 0.00 N flip ATOM 0 H ASN A 120 -9.357 -14.605 12.960 1.00 0.00 H new ATOM 0 HA ASN A 120 -9.384 -15.477 15.019 1.00 0.00 H new ATOM 0 HB2 ASN A 120 -6.484 -14.738 14.575 1.00 0.00 H new ATOM 0 HB3 ASN A 120 -6.972 -15.493 16.079 1.00 0.00 H new ATOM 0 HD21 ASN A 120 -8.201 -17.625 15.780 1.00 0.00 H new ATOM 0 HD22 ASN A 120 -7.694 -18.630 14.419 1.00 0.00 H new ATOM 1871 N GLY A 121 -9.806 -12.855 15.909 1.00 0.00 N ATOM 1872 CA GLY A 121 -10.063 -11.842 16.916 1.00 0.00 C ATOM 1873 C GLY A 121 -8.857 -10.961 17.173 1.00 0.00 C ATOM 1874 O GLY A 121 -8.638 -10.512 18.298 1.00 0.00 O ATOM 0 H GLY A 121 -10.462 -12.859 15.128 1.00 0.00 H new ATOM 0 HA2 GLY A 121 -10.901 -11.222 16.597 1.00 0.00 H new ATOM 0 HA3 GLY A 121 -10.360 -12.326 17.846 1.00 0.00 H new ATOM 1878 N GLN A 122 -8.072 -10.715 16.129 1.00 0.00 N ATOM 1879 CA GLN A 122 -6.881 -9.883 16.249 1.00 0.00 C ATOM 1880 C GLN A 122 -6.891 -8.765 15.212 1.00 0.00 C ATOM 1881 O GLN A 122 -7.812 -8.663 14.401 1.00 0.00 O ATOM 1882 CB GLN A 122 -5.620 -10.735 16.085 1.00 0.00 C ATOM 1883 CG GLN A 122 -5.400 -11.720 17.222 1.00 0.00 C ATOM 1884 CD GLN A 122 -5.015 -11.037 18.520 1.00 0.00 C ATOM 1885 OE1 GLN A 122 -5.867 -10.497 19.227 1.00 0.00 O ATOM 1886 NE2 GLN A 122 -3.727 -11.058 18.840 1.00 0.00 N ATOM 0 H GLN A 122 -8.239 -11.080 15.191 1.00 0.00 H new ATOM 0 HA GLN A 122 -6.881 -9.433 17.242 1.00 0.00 H new ATOM 0 HB2 GLN A 122 -5.682 -11.285 15.146 1.00 0.00 H new ATOM 0 HB3 GLN A 122 -4.754 -10.077 16.012 1.00 0.00 H new ATOM 0 HG2 GLN A 122 -6.310 -12.299 17.377 1.00 0.00 H new ATOM 0 HG3 GLN A 122 -4.618 -12.425 16.941 1.00 0.00 H new ATOM 0 HE21 GLN A 122 -3.056 -11.517 18.224 1.00 0.00 H new ATOM 0 HE22 GLN A 122 -3.408 -10.615 19.702 1.00 0.00 H new ATOM 1895 N THR A 123 -5.859 -7.926 15.243 1.00 0.00 N ATOM 1896 CA THR A 123 -5.750 -6.814 14.307 1.00 0.00 C ATOM 1897 C THR A 123 -4.296 -6.549 13.936 1.00 0.00 C ATOM 1898 O THR A 123 -3.461 -6.289 14.803 1.00 0.00 O ATOM 1899 CB THR A 123 -6.362 -5.527 14.891 1.00 0.00 C ATOM 1900 OG1 THR A 123 -7.651 -5.806 15.448 1.00 0.00 O ATOM 1901 CG2 THR A 123 -6.489 -4.454 13.820 1.00 0.00 C ATOM 0 H THR A 123 -5.087 -7.996 15.906 1.00 0.00 H new ATOM 0 HA THR A 123 -6.304 -7.098 13.412 1.00 0.00 H new ATOM 0 HB THR A 123 -5.700 -5.160 15.675 1.00 0.00 H new ATOM 0 HG1 THR A 123 -8.032 -4.983 15.818 1.00 0.00 H new ATOM 0 HG21 THR A 123 -6.924 -3.554 14.256 1.00 0.00 H new ATOM 0 HG22 THR A 123 -5.503 -4.222 13.418 1.00 0.00 H new ATOM 0 HG23 THR A 123 -7.132 -4.815 13.017 1.00 0.00 H new ATOM 1909 N TYR A 124 -3.999 -6.617 12.643 1.00 0.00 N ATOM 1910 CA TYR A 124 -2.644 -6.385 12.157 1.00 0.00 C ATOM 1911 C TYR A 124 -2.584 -5.136 11.284 1.00 0.00 C ATOM 1912 O TYR A 124 -3.397 -4.960 10.376 1.00 0.00 O ATOM 1913 CB TYR A 124 -2.149 -7.598 11.366 1.00 0.00 C ATOM 1914 CG TYR A 124 -2.073 -8.865 12.186 1.00 0.00 C ATOM 1915 CD1 TYR A 124 -1.083 -9.037 13.146 1.00 0.00 C ATOM 1916 CD2 TYR A 124 -2.992 -9.891 12.003 1.00 0.00 C ATOM 1917 CE1 TYR A 124 -1.009 -10.194 13.897 1.00 0.00 C ATOM 1918 CE2 TYR A 124 -2.926 -11.051 12.750 1.00 0.00 C ATOM 1919 CZ TYR A 124 -1.933 -11.198 13.696 1.00 0.00 C ATOM 1920 OH TYR A 124 -1.864 -12.352 14.443 1.00 0.00 O ATOM 0 H TYR A 124 -4.678 -6.831 11.913 1.00 0.00 H new ATOM 0 HA TYR A 124 -1.997 -6.233 13.021 1.00 0.00 H new ATOM 0 HB2 TYR A 124 -2.813 -7.764 10.518 1.00 0.00 H new ATOM 0 HB3 TYR A 124 -1.162 -7.378 10.960 1.00 0.00 H new ATOM 0 HD1 TYR A 124 -0.359 -8.252 13.308 1.00 0.00 H new ATOM 0 HD2 TYR A 124 -3.771 -9.780 11.264 1.00 0.00 H new ATOM 0 HE1 TYR A 124 -0.232 -10.312 14.638 1.00 0.00 H new ATOM 0 HE2 TYR A 124 -3.648 -11.839 12.594 1.00 0.00 H new ATOM 0 HH TYR A 124 -2.588 -12.957 14.178 1.00 0.00 H new ATOM 1930 N TRP A 125 -1.616 -4.271 11.565 1.00 0.00 N ATOM 1931 CA TRP A 125 -1.448 -3.038 10.805 1.00 0.00 C ATOM 1932 C TRP A 125 -0.097 -3.012 10.100 1.00 0.00 C ATOM 1933 O TRP A 125 0.951 -2.975 10.746 1.00 0.00 O ATOM 1934 CB TRP A 125 -1.579 -1.825 11.728 1.00 0.00 C ATOM 1935 CG TRP A 125 -2.963 -1.640 12.274 1.00 0.00 C ATOM 1936 CD1 TRP A 125 -3.423 -2.042 13.495 1.00 0.00 C ATOM 1937 CD2 TRP A 125 -4.066 -1.007 11.615 1.00 0.00 C ATOM 1938 NE1 TRP A 125 -4.745 -1.698 13.636 1.00 0.00 N ATOM 1939 CE2 TRP A 125 -5.163 -1.061 12.497 1.00 0.00 C ATOM 1940 CE3 TRP A 125 -4.233 -0.399 10.369 1.00 0.00 C ATOM 1941 CZ2 TRP A 125 -6.408 -0.531 12.169 1.00 0.00 C ATOM 1942 CZ3 TRP A 125 -5.469 0.126 10.044 1.00 0.00 C ATOM 1943 CH2 TRP A 125 -6.543 0.058 10.941 1.00 0.00 C ATOM 0 H TRP A 125 -0.936 -4.401 12.314 1.00 0.00 H new ATOM 0 HA TRP A 125 -2.232 -2.997 10.048 1.00 0.00 H new ATOM 0 HB2 TRP A 125 -0.880 -1.932 12.558 1.00 0.00 H new ATOM 0 HB3 TRP A 125 -1.289 -0.928 11.181 1.00 0.00 H new ATOM 0 HD1 TRP A 125 -2.834 -2.555 14.241 1.00 0.00 H new ATOM 0 HE1 TRP A 125 -5.322 -1.886 14.456 1.00 0.00 H new ATOM 0 HE3 TRP A 125 -3.410 -0.340 9.672 1.00 0.00 H new ATOM 0 HZ2 TRP A 125 -7.237 -0.583 12.859 1.00 0.00 H new ATOM 0 HZ3 TRP A 125 -5.610 0.597 9.082 1.00 0.00 H new ATOM 0 HH2 TRP A 125 -7.496 0.479 10.658 1.00 0.00 H new ATOM 1954 N ASP A 126 -0.127 -3.031 8.772 1.00 0.00 N ATOM 1955 CA ASP A 126 1.097 -3.008 7.979 1.00 0.00 C ATOM 1956 C ASP A 126 1.376 -1.604 7.450 1.00 0.00 C ATOM 1957 O ASP A 126 0.729 -1.145 6.509 1.00 0.00 O ATOM 1958 CB ASP A 126 0.994 -3.994 6.815 1.00 0.00 C ATOM 1959 CG ASP A 126 1.820 -3.565 5.618 1.00 0.00 C ATOM 1960 OD1 ASP A 126 2.895 -2.965 5.824 1.00 0.00 O ATOM 1961 OD2 ASP A 126 1.390 -3.829 4.475 1.00 0.00 O ATOM 0 H ASP A 126 -0.985 -3.062 8.222 1.00 0.00 H new ATOM 0 HA ASP A 126 1.924 -3.304 8.624 1.00 0.00 H new ATOM 0 HB2 ASP A 126 1.324 -4.979 7.146 1.00 0.00 H new ATOM 0 HB3 ASP A 126 -0.050 -4.091 6.516 1.00 0.00 H new ATOM 1966 N SER A 127 2.342 -0.928 8.063 1.00 0.00 N ATOM 1967 CA SER A 127 2.703 0.425 7.657 1.00 0.00 C ATOM 1968 C SER A 127 4.192 0.517 7.335 1.00 0.00 C ATOM 1969 O SER A 127 5.015 0.751 8.219 1.00 0.00 O ATOM 1970 CB SER A 127 2.345 1.424 8.759 1.00 0.00 C ATOM 1971 OG SER A 127 2.979 1.084 9.980 1.00 0.00 O ATOM 0 H SER A 127 2.889 -1.295 8.842 1.00 0.00 H new ATOM 0 HA SER A 127 2.139 0.670 6.757 1.00 0.00 H new ATOM 0 HB2 SER A 127 2.645 2.427 8.457 1.00 0.00 H new ATOM 0 HB3 SER A 127 1.264 1.444 8.900 1.00 0.00 H new ATOM 0 HG SER A 127 3.935 0.938 9.822 1.00 0.00 H new ATOM 1977 N ASN A 128 4.529 0.331 6.063 1.00 0.00 N ATOM 1978 CA ASN A 128 5.918 0.391 5.624 1.00 0.00 C ATOM 1979 C ASN A 128 6.849 -0.195 6.681 1.00 0.00 C ATOM 1980 O ASN A 128 8.000 0.222 6.809 1.00 0.00 O ATOM 1981 CB ASN A 128 6.317 1.838 5.323 1.00 0.00 C ATOM 1982 CG ASN A 128 5.810 2.308 3.973 1.00 0.00 C ATOM 1983 OD1 ASN A 128 5.093 1.586 3.281 1.00 0.00 O ATOM 1984 ND2 ASN A 128 6.181 3.525 3.594 1.00 0.00 N ATOM 0 H ASN A 128 3.859 0.138 5.318 1.00 0.00 H new ATOM 0 HA ASN A 128 6.011 -0.202 4.714 1.00 0.00 H new ATOM 0 HB2 ASN A 128 5.924 2.490 6.103 1.00 0.00 H new ATOM 0 HB3 ASN A 128 7.403 1.926 5.351 1.00 0.00 H new ATOM 0 HD21 ASN A 128 5.870 3.896 2.696 1.00 0.00 H new ATOM 0 HD22 ASN A 128 6.777 4.089 4.201 1.00 0.00 H new ATOM 1991 N ARG A 129 6.343 -1.166 7.434 1.00 0.00 N ATOM 1992 CA ARG A 129 7.128 -1.809 8.480 1.00 0.00 C ATOM 1993 C ARG A 129 8.075 -0.812 9.141 1.00 0.00 C ATOM 1994 O ARG A 129 9.182 -1.165 9.546 1.00 0.00 O ATOM 1995 CB ARG A 129 7.926 -2.980 7.902 1.00 0.00 C ATOM 1996 CG ARG A 129 7.070 -4.188 7.557 1.00 0.00 C ATOM 1997 CD ARG A 129 6.808 -5.052 8.780 1.00 0.00 C ATOM 1998 NE ARG A 129 5.552 -5.789 8.671 1.00 0.00 N ATOM 1999 CZ ARG A 129 4.372 -5.285 9.014 1.00 0.00 C ATOM 2000 NH1 ARG A 129 4.287 -4.048 9.485 1.00 0.00 N ATOM 2001 NH2 ARG A 129 3.273 -6.018 8.885 1.00 0.00 N ATOM 0 H ARG A 129 5.393 -1.525 7.339 1.00 0.00 H new ATOM 0 HA ARG A 129 6.439 -2.185 9.236 1.00 0.00 H new ATOM 0 HB2 ARG A 129 8.447 -2.646 7.005 1.00 0.00 H new ATOM 0 HB3 ARG A 129 8.689 -3.279 8.621 1.00 0.00 H new ATOM 0 HG2 ARG A 129 6.122 -3.855 7.135 1.00 0.00 H new ATOM 0 HG3 ARG A 129 7.568 -4.782 6.791 1.00 0.00 H new ATOM 0 HD2 ARG A 129 7.631 -5.755 8.910 1.00 0.00 H new ATOM 0 HD3 ARG A 129 6.783 -4.423 9.670 1.00 0.00 H new ATOM 0 HE ARG A 129 5.583 -6.743 8.312 1.00 0.00 H new ATOM 0 HH11 ARG A 129 5.129 -3.481 9.585 1.00 0.00 H new ATOM 0 HH12 ARG A 129 3.379 -3.664 9.748 1.00 0.00 H new ATOM 0 HH21 ARG A 129 3.334 -6.969 8.522 1.00 0.00 H new ATOM 0 HH22 ARG A 129 2.367 -5.630 9.149 1.00 0.00 H new ATOM 2015 N GLY A 130 7.632 0.437 9.246 1.00 0.00 N ATOM 2016 CA GLY A 130 8.453 1.467 9.857 1.00 0.00 C ATOM 2017 C GLY A 130 7.645 2.680 10.273 1.00 0.00 C ATOM 2018 O GLY A 130 7.092 2.720 11.372 1.00 0.00 O ATOM 0 H GLY A 130 6.719 0.754 8.919 1.00 0.00 H new ATOM 0 HA2 GLY A 130 8.959 1.054 10.730 1.00 0.00 H new ATOM 0 HA3 GLY A 130 9.228 1.774 9.155 1.00 0.00 H new ATOM 2022 N LYS A 131 7.579 3.675 9.394 1.00 0.00 N ATOM 2023 CA LYS A 131 6.834 4.896 9.675 1.00 0.00 C ATOM 2024 C LYS A 131 5.412 4.804 9.130 1.00 0.00 C ATOM 2025 O LYS A 131 4.460 4.607 9.884 1.00 0.00 O ATOM 2026 CB LYS A 131 7.548 6.105 9.066 1.00 0.00 C ATOM 2027 CG LYS A 131 8.672 6.647 9.931 1.00 0.00 C ATOM 2028 CD LYS A 131 8.165 7.683 10.920 1.00 0.00 C ATOM 2029 CE LYS A 131 9.309 8.326 11.690 1.00 0.00 C ATOM 2030 NZ LYS A 131 10.041 7.335 12.526 1.00 0.00 N ATOM 0 H LYS A 131 8.033 3.659 8.481 1.00 0.00 H new ATOM 0 HA LYS A 131 6.782 5.019 10.757 1.00 0.00 H new ATOM 0 HB2 LYS A 131 7.952 5.825 8.093 1.00 0.00 H new ATOM 0 HB3 LYS A 131 6.820 6.897 8.893 1.00 0.00 H new ATOM 0 HG2 LYS A 131 9.144 5.827 10.472 1.00 0.00 H new ATOM 0 HG3 LYS A 131 9.438 7.093 9.296 1.00 0.00 H new ATOM 0 HD2 LYS A 131 7.606 8.452 10.388 1.00 0.00 H new ATOM 0 HD3 LYS A 131 7.474 7.212 11.619 1.00 0.00 H new ATOM 0 HE2 LYS A 131 10.002 8.792 10.989 1.00 0.00 H new ATOM 0 HE3 LYS A 131 8.918 9.119 12.327 1.00 0.00 H new ATOM 0 HZ1 LYS A 131 10.734 7.829 13.123 1.00 0.00 H new ATOM 0 HZ2 LYS A 131 9.366 6.824 13.130 1.00 0.00 H new ATOM 0 HZ3 LYS A 131 10.535 6.659 11.910 1.00 0.00 H new ATOM 2044 N ASN A 132 5.277 4.947 7.816 1.00 0.00 N ATOM 2045 CA ASN A 132 3.971 4.879 7.170 1.00 0.00 C ATOM 2046 C ASN A 132 4.109 4.967 5.653 1.00 0.00 C ATOM 2047 O ASN A 132 5.115 5.456 5.138 1.00 0.00 O ATOM 2048 CB ASN A 132 3.068 6.005 7.678 1.00 0.00 C ATOM 2049 CG ASN A 132 3.855 7.232 8.096 1.00 0.00 C ATOM 2050 OD1 ASN A 132 4.861 7.579 7.477 1.00 0.00 O ATOM 2051 ND2 ASN A 132 3.398 7.896 9.151 1.00 0.00 N ATOM 0 H ASN A 132 6.055 5.111 7.178 1.00 0.00 H new ATOM 0 HA ASN A 132 3.519 3.919 7.421 1.00 0.00 H new ATOM 0 HB2 ASN A 132 2.360 6.280 6.896 1.00 0.00 H new ATOM 0 HB3 ASN A 132 2.484 5.645 8.525 1.00 0.00 H new ATOM 0 HD21 ASN A 132 3.885 8.730 9.479 1.00 0.00 H new ATOM 0 HD22 ASN A 132 2.560 7.572 9.634 1.00 0.00 H new ATOM 2058 N TYR A 133 3.091 4.492 4.944 1.00 0.00 N ATOM 2059 CA TYR A 133 3.099 4.516 3.486 1.00 0.00 C ATOM 2060 C TYR A 133 3.018 5.947 2.964 1.00 0.00 C ATOM 2061 O TYR A 133 1.960 6.575 3.003 1.00 0.00 O ATOM 2062 CB TYR A 133 1.933 3.693 2.935 1.00 0.00 C ATOM 2063 CG TYR A 133 2.242 2.219 2.800 1.00 0.00 C ATOM 2064 CD1 TYR A 133 3.051 1.751 1.771 1.00 0.00 C ATOM 2065 CD2 TYR A 133 1.725 1.295 3.699 1.00 0.00 C ATOM 2066 CE1 TYR A 133 3.336 0.405 1.643 1.00 0.00 C ATOM 2067 CE2 TYR A 133 2.005 -0.052 3.579 1.00 0.00 C ATOM 2068 CZ TYR A 133 2.811 -0.492 2.550 1.00 0.00 C ATOM 2069 OH TYR A 133 3.092 -1.834 2.426 1.00 0.00 O ATOM 0 H TYR A 133 2.250 4.086 5.355 1.00 0.00 H new ATOM 0 HA TYR A 133 4.037 4.077 3.146 1.00 0.00 H new ATOM 0 HB2 TYR A 133 1.071 3.816 3.590 1.00 0.00 H new ATOM 0 HB3 TYR A 133 1.650 4.087 1.959 1.00 0.00 H new ATOM 0 HD1 TYR A 133 3.464 2.451 1.060 1.00 0.00 H new ATOM 0 HD2 TYR A 133 1.093 1.636 4.506 1.00 0.00 H new ATOM 0 HE1 TYR A 133 3.966 0.057 0.838 1.00 0.00 H new ATOM 0 HE2 TYR A 133 1.595 -0.757 4.287 1.00 0.00 H new ATOM 0 HH TYR A 133 2.561 -2.341 3.075 1.00 0.00 H new ATOM 2079 N ARG A 134 4.144 6.456 2.474 1.00 0.00 N ATOM 2080 CA ARG A 134 4.202 7.813 1.945 1.00 0.00 C ATOM 2081 C ARG A 134 3.838 7.834 0.463 1.00 0.00 C ATOM 2082 O ARG A 134 4.310 7.002 -0.314 1.00 0.00 O ATOM 2083 CB ARG A 134 5.599 8.402 2.146 1.00 0.00 C ATOM 2084 CG ARG A 134 5.761 9.798 1.567 1.00 0.00 C ATOM 2085 CD ARG A 134 7.221 10.220 1.527 1.00 0.00 C ATOM 2086 NE ARG A 134 7.673 10.752 2.809 1.00 0.00 N ATOM 2087 CZ ARG A 134 8.849 11.345 2.986 1.00 0.00 C ATOM 2088 NH1 ARG A 134 9.686 11.481 1.967 1.00 0.00 N ATOM 2089 NH2 ARG A 134 9.188 11.804 4.184 1.00 0.00 N ATOM 0 H ARG A 134 5.028 5.949 2.433 1.00 0.00 H new ATOM 0 HA ARG A 134 3.478 8.420 2.489 1.00 0.00 H new ATOM 0 HB2 ARG A 134 5.821 8.432 3.213 1.00 0.00 H new ATOM 0 HB3 ARG A 134 6.333 7.740 1.686 1.00 0.00 H new ATOM 0 HG2 ARG A 134 5.346 9.825 0.560 1.00 0.00 H new ATOM 0 HG3 ARG A 134 5.192 10.509 2.166 1.00 0.00 H new ATOM 0 HD2 ARG A 134 7.838 9.365 1.252 1.00 0.00 H new ATOM 0 HD3 ARG A 134 7.359 10.975 0.753 1.00 0.00 H new ATOM 0 HE ARG A 134 7.052 10.664 3.613 1.00 0.00 H new ATOM 0 HH11 ARG A 134 9.428 11.130 1.045 1.00 0.00 H new ATOM 0 HH12 ARG A 134 10.588 11.937 2.105 1.00 0.00 H new ATOM 0 HH21 ARG A 134 8.546 11.702 4.970 1.00 0.00 H new ATOM 0 HH22 ARG A 134 10.091 12.259 4.319 1.00 0.00 H new ATOM 2103 N ILE A 135 2.998 8.789 0.079 1.00 0.00 N ATOM 2104 CA ILE A 135 2.572 8.918 -1.309 1.00 0.00 C ATOM 2105 C ILE A 135 2.978 10.270 -1.885 1.00 0.00 C ATOM 2106 O ILE A 135 2.407 11.303 -1.532 1.00 0.00 O ATOM 2107 CB ILE A 135 1.048 8.749 -1.448 1.00 0.00 C ATOM 2108 CG1 ILE A 135 0.624 7.351 -0.995 1.00 0.00 C ATOM 2109 CG2 ILE A 135 0.616 9.000 -2.886 1.00 0.00 C ATOM 2110 CD1 ILE A 135 -0.875 7.146 -0.989 1.00 0.00 C ATOM 0 H ILE A 135 2.599 9.485 0.709 1.00 0.00 H new ATOM 0 HA ILE A 135 3.069 8.124 -1.867 1.00 0.00 H new ATOM 0 HB ILE A 135 0.556 9.482 -0.808 1.00 0.00 H new ATOM 0 HG12 ILE A 135 1.081 6.611 -1.652 1.00 0.00 H new ATOM 0 HG13 ILE A 135 1.011 7.170 0.008 1.00 0.00 H new ATOM 0 HG21 ILE A 135 -0.464 8.877 -2.968 1.00 0.00 H new ATOM 0 HG22 ILE A 135 0.889 10.015 -3.176 1.00 0.00 H new ATOM 0 HG23 ILE A 135 1.114 8.288 -3.545 1.00 0.00 H new ATOM 0 HD11 ILE A 135 -1.102 6.133 -0.657 1.00 0.00 H new ATOM 0 HD12 ILE A 135 -1.337 7.862 -0.310 1.00 0.00 H new ATOM 0 HD13 ILE A 135 -1.267 7.295 -1.995 1.00 0.00 H new ATOM 2122 N ILE A 136 3.965 10.257 -2.774 1.00 0.00 N ATOM 2123 CA ILE A 136 4.444 11.482 -3.402 1.00 0.00 C ATOM 2124 C ILE A 136 3.952 11.592 -4.840 1.00 0.00 C ATOM 2125 O ILE A 136 3.356 10.657 -5.377 1.00 0.00 O ATOM 2126 CB ILE A 136 5.983 11.555 -3.390 1.00 0.00 C ATOM 2127 CG1 ILE A 136 6.575 10.434 -4.247 1.00 0.00 C ATOM 2128 CG2 ILE A 136 6.507 11.472 -1.964 1.00 0.00 C ATOM 2129 CD1 ILE A 136 7.972 10.729 -4.746 1.00 0.00 C ATOM 0 H ILE A 136 4.449 9.411 -3.076 1.00 0.00 H new ATOM 0 HA ILE A 136 4.044 12.312 -2.820 1.00 0.00 H new ATOM 0 HB ILE A 136 6.290 12.511 -3.813 1.00 0.00 H new ATOM 0 HG12 ILE A 136 6.593 9.513 -3.664 1.00 0.00 H new ATOM 0 HG13 ILE A 136 5.922 10.258 -5.102 1.00 0.00 H new ATOM 0 HG21 ILE A 136 7.596 11.525 -1.973 1.00 0.00 H new ATOM 0 HG22 ILE A 136 6.108 12.302 -1.381 1.00 0.00 H new ATOM 0 HG23 ILE A 136 6.193 10.529 -1.515 1.00 0.00 H new ATOM 0 HD11 ILE A 136 8.328 9.892 -5.346 1.00 0.00 H new ATOM 0 HD12 ILE A 136 7.957 11.632 -5.356 1.00 0.00 H new ATOM 0 HD13 ILE A 136 8.638 10.876 -3.896 1.00 0.00 H new ATOM 2141 N ARG A 137 4.206 12.739 -5.461 1.00 0.00 N ATOM 2142 CA ARG A 137 3.789 12.972 -6.838 1.00 0.00 C ATOM 2143 C ARG A 137 4.878 12.539 -7.816 1.00 0.00 C ATOM 2144 O ARG A 137 6.037 12.373 -7.437 1.00 0.00 O ATOM 2145 CB ARG A 137 3.456 14.450 -7.051 1.00 0.00 C ATOM 2146 CG ARG A 137 2.399 14.689 -8.116 1.00 0.00 C ATOM 2147 CD ARG A 137 1.707 16.029 -7.923 1.00 0.00 C ATOM 2148 NE ARG A 137 0.854 16.373 -9.057 1.00 0.00 N ATOM 2149 CZ ARG A 137 -0.148 17.243 -8.986 1.00 0.00 C ATOM 2150 NH1 ARG A 137 -0.420 17.854 -7.841 1.00 0.00 N ATOM 2151 NH2 ARG A 137 -0.879 17.504 -10.062 1.00 0.00 N ATOM 0 H ARG A 137 4.699 13.522 -5.032 1.00 0.00 H new ATOM 0 HA ARG A 137 2.896 12.375 -7.026 1.00 0.00 H new ATOM 0 HB2 ARG A 137 3.112 14.876 -6.108 1.00 0.00 H new ATOM 0 HB3 ARG A 137 4.366 14.982 -7.328 1.00 0.00 H new ATOM 0 HG2 ARG A 137 2.861 14.656 -9.103 1.00 0.00 H new ATOM 0 HG3 ARG A 137 1.660 13.888 -8.083 1.00 0.00 H new ATOM 0 HD2 ARG A 137 1.107 15.999 -7.014 1.00 0.00 H new ATOM 0 HD3 ARG A 137 2.457 16.808 -7.784 1.00 0.00 H new ATOM 0 HE ARG A 137 1.037 15.921 -9.953 1.00 0.00 H new ATOM 0 HH11 ARG A 137 0.140 17.657 -7.012 1.00 0.00 H new ATOM 0 HH12 ARG A 137 -1.190 18.521 -7.789 1.00 0.00 H new ATOM 0 HH21 ARG A 137 -0.672 17.037 -10.945 1.00 0.00 H new ATOM 0 HH22 ARG A 137 -1.648 18.172 -10.006 1.00 0.00 H new ATOM 2165 N ALA A 138 4.496 12.357 -9.076 1.00 0.00 N ATOM 2166 CA ALA A 138 5.440 11.946 -10.108 1.00 0.00 C ATOM 2167 C ALA A 138 6.344 13.103 -10.519 1.00 0.00 C ATOM 2168 O ALA A 138 7.468 12.892 -10.973 1.00 0.00 O ATOM 2169 CB ALA A 138 4.694 11.401 -11.318 1.00 0.00 C ATOM 0 H ALA A 138 3.540 12.488 -9.406 1.00 0.00 H new ATOM 0 HA ALA A 138 6.069 11.157 -9.696 1.00 0.00 H new ATOM 0 HB1 ALA A 138 5.411 11.098 -12.081 1.00 0.00 H new ATOM 0 HB2 ALA A 138 4.096 10.540 -11.019 1.00 0.00 H new ATOM 0 HB3 ALA A 138 4.040 12.174 -11.721 1.00 0.00 H new ATOM 2175 N GLU A 139 5.845 14.324 -10.355 1.00 0.00 N ATOM 2176 CA GLU A 139 6.609 15.514 -10.711 1.00 0.00 C ATOM 2177 C GLU A 139 7.761 15.734 -9.734 1.00 0.00 C ATOM 2178 O GLU A 139 8.737 16.416 -10.050 1.00 0.00 O ATOM 2179 CB GLU A 139 5.700 16.745 -10.729 1.00 0.00 C ATOM 2180 CG GLU A 139 4.901 16.930 -9.450 1.00 0.00 C ATOM 2181 CD GLU A 139 4.523 18.377 -9.203 1.00 0.00 C ATOM 2182 OE1 GLU A 139 5.391 19.257 -9.383 1.00 0.00 O ATOM 2183 OE2 GLU A 139 3.359 18.630 -8.828 1.00 0.00 O ATOM 0 H GLU A 139 4.916 14.515 -9.978 1.00 0.00 H new ATOM 0 HA GLU A 139 7.024 15.363 -11.708 1.00 0.00 H new ATOM 0 HB2 GLU A 139 6.309 17.633 -10.899 1.00 0.00 H new ATOM 0 HB3 GLU A 139 5.011 16.665 -11.570 1.00 0.00 H new ATOM 0 HG2 GLU A 139 3.995 16.325 -9.501 1.00 0.00 H new ATOM 0 HG3 GLU A 139 5.483 16.561 -8.606 1.00 0.00 H new