USER MOD reduce.3.24.130724 H: found=0, std=0, add=863, rem=0, adj=21 USER MOD reduce.3.24.130724 removed 863 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 92 THR OG1 : rot 140:sc= 1.2 USER MOD Set 1.2: A 94 GLN : amide:sc= -2.29! C(o=-1.1!,f=-9.9!) USER MOD Set 2.1: A 76 GLN : amide:sc= -5.06! C(o=-5.1!,f=-10!) USER MOD Set 2.2: A 77 GLN : amide:sc=-0.00212 K(o=-5.1,f=-7.9!) USER MOD Set 3.1: A 23 SER OG : rot -57:sc= 1.08 USER MOD Set 3.2: A 45 LYS NZ :NH3+ -143:sc= 1.24 (180deg=0) USER MOD Set 4.1: A 42 THR OG1 : rot 160:sc= -3.08! USER MOD Set 4.2: A 46 SER OG : rot 140:sc= -2.07! USER MOD Single : A 20 CYS SG : rot 125:sc= -12.5! USER MOD Single : A 22 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 26 TYR OH : rot 180:sc= 0 USER MOD Single : A 41 ASN : amide:sc= -0.615 X(o=-0.61,f=-0.92) USER MOD Single : A 49 THR OG1 : rot 180:sc= 0 USER MOD Single : A 58 TYR OH : rot 180:sc= 0 USER MOD Single : A 67 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 70 TYR OH : rot 9:sc= 1.13 USER MOD Single : A 82 ASN : amide:sc= -8.49! C(o=-8.5!,f=-9.7!) USER MOD Single : A 83 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 84 THR OG1 : rot 154:sc= -5.66! USER MOD Single : A 85 MET CE :methyl 136:sc= -6.26! (180deg=-9.86!) USER MOD Single : A 89 SER OG : rot 30:sc= 0.676 USER MOD Single : A 91 LYS NZ :NH3+ 160:sc= -0.182 (180deg=-0.855) USER MOD Single : A 93 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 95 GLN : amide:sc= -1.66 K(o=-1.7,f=-6.2!) USER MOD Single : A 96 TYR OH : rot 180:sc= 0 USER MOD Single : A 98 SER OG : rot 65:sc= 1.25 USER MOD Single : A 99 SER OG : rot 153:sc= -4.12! USER MOD Single : A 101 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 104 LYS NZ :NH3+ -174:sc= -0.0182 (180deg=-0.0305) USER MOD Single : A 106 THR OG1 : rot 180:sc= 0 USER MOD Single : A 109 SER OG : rot 11:sc= 0.954 USER MOD Single : A 112 TYR OH : rot 150:sc= -1.16! USER MOD Single : A 116 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD ----------------------------------------------------------------- ATOM 159 N PRO A 12 -8.060 -6.654 -0.222 1.00 0.00 N ATOM 160 CA PRO A 12 -6.791 -7.234 0.176 1.00 0.00 C ATOM 161 C PRO A 12 -6.002 -6.233 1.026 1.00 0.00 C ATOM 162 O PRO A 12 -6.148 -6.174 2.230 1.00 0.00 O ATOM 163 CB PRO A 12 -6.075 -7.509 -1.140 1.00 0.00 C ATOM 164 CG PRO A 12 -6.684 -6.458 -2.126 1.00 0.00 C ATOM 165 CD PRO A 12 -8.107 -6.119 -1.590 1.00 0.00 C ATOM 0 HA PRO A 12 -6.905 -8.135 0.779 1.00 0.00 H new ATOM 0 HB2 PRO A 12 -4.996 -7.386 -1.041 1.00 0.00 H new ATOM 0 HB3 PRO A 12 -6.250 -8.528 -1.485 1.00 0.00 H new ATOM 0 HG2 PRO A 12 -6.063 -5.563 -2.171 1.00 0.00 H new ATOM 0 HG3 PRO A 12 -6.736 -6.860 -3.138 1.00 0.00 H new ATOM 0 HD2 PRO A 12 -8.301 -5.047 -1.601 1.00 0.00 H new ATOM 0 HD3 PRO A 12 -8.889 -6.591 -2.185 1.00 0.00 H new ATOM 173 N VAL A 13 -5.172 -5.439 0.405 1.00 0.00 N ATOM 174 CA VAL A 13 -4.381 -4.436 1.170 1.00 0.00 C ATOM 175 C VAL A 13 -4.787 -3.036 0.715 1.00 0.00 C ATOM 176 O VAL A 13 -4.083 -2.407 -0.051 1.00 0.00 O ATOM 177 CB VAL A 13 -2.890 -4.651 0.907 1.00 0.00 C ATOM 178 CG1 VAL A 13 -2.078 -3.616 1.689 1.00 0.00 C ATOM 179 CG2 VAL A 13 -2.490 -6.057 1.359 1.00 0.00 C ATOM 0 H VAL A 13 -5.008 -5.443 -0.602 1.00 0.00 H new ATOM 0 HA VAL A 13 -4.574 -4.547 2.237 1.00 0.00 H new ATOM 0 HB VAL A 13 -2.691 -4.540 -0.159 1.00 0.00 H new ATOM 0 HG11 VAL A 13 -1.015 -3.770 1.501 1.00 0.00 H new ATOM 0 HG12 VAL A 13 -2.362 -2.613 1.369 1.00 0.00 H new ATOM 0 HG13 VAL A 13 -2.278 -3.727 2.755 1.00 0.00 H new ATOM 0 HG21 VAL A 13 -1.427 -6.211 1.172 1.00 0.00 H new ATOM 0 HG22 VAL A 13 -2.690 -6.167 2.425 1.00 0.00 H new ATOM 0 HG23 VAL A 13 -3.067 -6.796 0.803 1.00 0.00 H new ATOM 189 N PRO A 14 -5.918 -2.588 1.199 1.00 0.00 N ATOM 190 CA PRO A 14 -6.430 -1.276 0.851 1.00 0.00 C ATOM 191 C PRO A 14 -5.565 -0.200 1.508 1.00 0.00 C ATOM 192 O PRO A 14 -5.186 -0.320 2.657 1.00 0.00 O ATOM 193 CB PRO A 14 -7.851 -1.256 1.405 1.00 0.00 C ATOM 194 CG PRO A 14 -7.813 -2.306 2.557 1.00 0.00 C ATOM 195 CD PRO A 14 -6.751 -3.363 2.131 1.00 0.00 C ATOM 0 HA PRO A 14 -6.417 -1.081 -0.221 1.00 0.00 H new ATOM 0 HB2 PRO A 14 -8.123 -0.267 1.773 1.00 0.00 H new ATOM 0 HB3 PRO A 14 -8.582 -1.524 0.642 1.00 0.00 H new ATOM 0 HG2 PRO A 14 -7.542 -1.839 3.504 1.00 0.00 H new ATOM 0 HG3 PRO A 14 -8.790 -2.768 2.698 1.00 0.00 H new ATOM 0 HD2 PRO A 14 -6.178 -3.734 2.981 1.00 0.00 H new ATOM 0 HD3 PRO A 14 -7.205 -4.230 1.651 1.00 0.00 H new ATOM 203 N LEU A 15 -5.235 0.849 0.800 1.00 0.00 N ATOM 204 CA LEU A 15 -4.386 1.901 1.422 1.00 0.00 C ATOM 205 C LEU A 15 -5.118 3.249 1.463 1.00 0.00 C ATOM 206 O LEU A 15 -4.577 4.248 1.053 1.00 0.00 O ATOM 207 CB LEU A 15 -3.086 2.048 0.629 1.00 0.00 C ATOM 208 CG LEU A 15 -2.340 0.714 0.635 1.00 0.00 C ATOM 209 CD1 LEU A 15 -1.860 0.384 -0.778 1.00 0.00 C ATOM 210 CD2 LEU A 15 -1.135 0.811 1.569 1.00 0.00 C ATOM 0 H LEU A 15 -5.513 1.019 -0.167 1.00 0.00 H new ATOM 0 HA LEU A 15 -4.163 1.600 2.446 1.00 0.00 H new ATOM 0 HB2 LEU A 15 -3.303 2.352 -0.395 1.00 0.00 H new ATOM 0 HB3 LEU A 15 -2.464 2.828 1.068 1.00 0.00 H new ATOM 0 HG LEU A 15 -3.011 -0.072 0.981 1.00 0.00 H new ATOM 0 HD11 LEU A 15 -1.329 -0.568 -0.769 1.00 0.00 H new ATOM 0 HD12 LEU A 15 -2.718 0.314 -1.447 1.00 0.00 H new ATOM 0 HD13 LEU A 15 -1.190 1.170 -1.128 1.00 0.00 H new ATOM 0 HD21 LEU A 15 -0.602 -0.140 1.575 1.00 0.00 H new ATOM 0 HD22 LEU A 15 -0.468 1.600 1.221 1.00 0.00 H new ATOM 0 HD23 LEU A 15 -1.475 1.042 2.579 1.00 0.00 H new ATOM 222 N PRO A 16 -6.314 3.241 1.992 1.00 0.00 N ATOM 223 CA PRO A 16 -7.096 4.451 2.144 1.00 0.00 C ATOM 224 C PRO A 16 -6.197 5.631 2.546 1.00 0.00 C ATOM 225 O PRO A 16 -6.350 6.731 2.054 1.00 0.00 O ATOM 226 CB PRO A 16 -8.084 4.118 3.253 1.00 0.00 C ATOM 227 CG PRO A 16 -8.242 2.561 3.168 1.00 0.00 C ATOM 228 CD PRO A 16 -6.968 2.014 2.452 1.00 0.00 C ATOM 0 HA PRO A 16 -7.592 4.750 1.221 1.00 0.00 H new ATOM 0 HB2 PRO A 16 -7.708 4.428 4.228 1.00 0.00 H new ATOM 0 HB3 PRO A 16 -9.037 4.624 3.103 1.00 0.00 H new ATOM 0 HG2 PRO A 16 -8.341 2.128 4.163 1.00 0.00 H new ATOM 0 HG3 PRO A 16 -9.141 2.294 2.613 1.00 0.00 H new ATOM 0 HD2 PRO A 16 -6.333 1.445 3.131 1.00 0.00 H new ATOM 0 HD3 PRO A 16 -7.220 1.353 1.623 1.00 0.00 H new ATOM 236 N GLU A 17 -5.258 5.412 3.433 1.00 0.00 N ATOM 237 CA GLU A 17 -4.353 6.525 3.857 1.00 0.00 C ATOM 238 C GLU A 17 -3.917 7.319 2.625 1.00 0.00 C ATOM 239 O GLU A 17 -4.016 8.529 2.581 1.00 0.00 O ATOM 240 CB GLU A 17 -3.119 5.941 4.551 1.00 0.00 C ATOM 241 CG GLU A 17 -2.809 6.754 5.809 1.00 0.00 C ATOM 242 CD GLU A 17 -2.087 8.045 5.418 1.00 0.00 C ATOM 243 OE1 GLU A 17 -2.386 8.569 4.357 1.00 0.00 O ATOM 244 OE2 GLU A 17 -1.250 8.488 6.186 1.00 0.00 O ATOM 0 H GLU A 17 -5.079 4.513 3.881 1.00 0.00 H new ATOM 0 HA GLU A 17 -4.881 7.183 4.547 1.00 0.00 H new ATOM 0 HB2 GLU A 17 -3.296 4.898 4.814 1.00 0.00 H new ATOM 0 HB3 GLU A 17 -2.265 5.959 3.874 1.00 0.00 H new ATOM 0 HG2 GLU A 17 -3.732 6.988 6.340 1.00 0.00 H new ATOM 0 HG3 GLU A 17 -2.189 6.170 6.489 1.00 0.00 H new ATOM 251 N LEU A 18 -3.441 6.638 1.623 1.00 0.00 N ATOM 252 CA LEU A 18 -2.999 7.324 0.379 1.00 0.00 C ATOM 253 C LEU A 18 -4.211 7.486 -0.553 1.00 0.00 C ATOM 254 O LEU A 18 -4.794 6.506 -0.972 1.00 0.00 O ATOM 255 CB LEU A 18 -1.950 6.450 -0.311 1.00 0.00 C ATOM 256 CG LEU A 18 -0.719 7.285 -0.654 1.00 0.00 C ATOM 257 CD1 LEU A 18 0.465 6.820 0.195 1.00 0.00 C ATOM 258 CD2 LEU A 18 -0.386 7.099 -2.134 1.00 0.00 C ATOM 0 H LEU A 18 -3.338 5.623 1.613 1.00 0.00 H new ATOM 0 HA LEU A 18 -2.577 8.302 0.612 1.00 0.00 H new ATOM 0 HB2 LEU A 18 -1.668 5.623 0.340 1.00 0.00 H new ATOM 0 HB3 LEU A 18 -2.368 6.014 -1.218 1.00 0.00 H new ATOM 0 HG LEU A 18 -0.920 8.337 -0.450 1.00 0.00 H new ATOM 0 HD11 LEU A 18 1.344 7.416 -0.050 1.00 0.00 H new ATOM 0 HD12 LEU A 18 0.226 6.943 1.251 1.00 0.00 H new ATOM 0 HD13 LEU A 18 0.670 5.769 -0.011 1.00 0.00 H new ATOM 0 HD21 LEU A 18 0.493 7.693 -2.387 1.00 0.00 H new ATOM 0 HD22 LEU A 18 -0.182 6.047 -2.332 1.00 0.00 H new ATOM 0 HD23 LEU A 18 -1.231 7.425 -2.741 1.00 0.00 H new ATOM 270 N PRO A 19 -4.567 8.717 -0.838 1.00 0.00 N ATOM 271 CA PRO A 19 -5.711 9.009 -1.694 1.00 0.00 C ATOM 272 C PRO A 19 -5.421 8.632 -3.150 1.00 0.00 C ATOM 273 O PRO A 19 -4.302 8.333 -3.517 1.00 0.00 O ATOM 274 CB PRO A 19 -5.916 10.514 -1.557 1.00 0.00 C ATOM 275 CG PRO A 19 -4.505 11.040 -1.155 1.00 0.00 C ATOM 276 CD PRO A 19 -3.853 9.897 -0.326 1.00 0.00 C ATOM 0 HA PRO A 19 -6.595 8.440 -1.406 1.00 0.00 H new ATOM 0 HB2 PRO A 19 -6.259 10.959 -2.491 1.00 0.00 H new ATOM 0 HB3 PRO A 19 -6.663 10.750 -0.799 1.00 0.00 H new ATOM 0 HG2 PRO A 19 -3.908 11.274 -2.037 1.00 0.00 H new ATOM 0 HG3 PRO A 19 -4.580 11.956 -0.569 1.00 0.00 H new ATOM 0 HD2 PRO A 19 -2.778 9.831 -0.494 1.00 0.00 H new ATOM 0 HD3 PRO A 19 -4.000 10.032 0.745 1.00 0.00 H new ATOM 284 N CYS A 20 -6.432 8.643 -3.979 1.00 0.00 N ATOM 285 CA CYS A 20 -6.234 8.286 -5.412 1.00 0.00 C ATOM 286 C CYS A 20 -6.511 9.513 -6.288 1.00 0.00 C ATOM 287 O CYS A 20 -5.611 10.243 -6.653 1.00 0.00 O ATOM 288 CB CYS A 20 -7.201 7.162 -5.792 1.00 0.00 C ATOM 289 SG CYS A 20 -6.262 5.660 -6.163 1.00 0.00 S ATOM 0 H CYS A 20 -7.389 8.885 -3.723 1.00 0.00 H new ATOM 0 HA CYS A 20 -5.207 7.954 -5.566 1.00 0.00 H new ATOM 0 HB2 CYS A 20 -7.898 6.976 -4.975 1.00 0.00 H new ATOM 0 HB3 CYS A 20 -7.795 7.456 -6.657 1.00 0.00 H new ATOM 0 HG CYS A 20 -6.696 4.683 -5.423 1.00 0.00 H new ATOM 295 N GLU A 21 -7.750 9.744 -6.629 1.00 0.00 N ATOM 296 CA GLU A 21 -8.084 10.922 -7.481 1.00 0.00 C ATOM 297 C GLU A 21 -8.769 11.993 -6.631 1.00 0.00 C ATOM 298 O GLU A 21 -9.532 12.799 -7.128 1.00 0.00 O ATOM 299 CB GLU A 21 -9.026 10.489 -8.609 1.00 0.00 C ATOM 300 CG GLU A 21 -9.069 11.578 -9.683 1.00 0.00 C ATOM 301 CD GLU A 21 -10.233 11.307 -10.639 1.00 0.00 C ATOM 302 OE1 GLU A 21 -11.046 10.454 -10.325 1.00 0.00 O ATOM 303 OE2 GLU A 21 -10.290 11.958 -11.669 1.00 0.00 O ATOM 0 H GLU A 21 -8.546 9.168 -6.354 1.00 0.00 H new ATOM 0 HA GLU A 21 -7.167 11.329 -7.908 1.00 0.00 H new ATOM 0 HB2 GLU A 21 -8.684 9.549 -9.042 1.00 0.00 H new ATOM 0 HB3 GLU A 21 -10.027 10.313 -8.214 1.00 0.00 H new ATOM 0 HG2 GLU A 21 -9.186 12.557 -9.219 1.00 0.00 H new ATOM 0 HG3 GLU A 21 -8.129 11.597 -10.234 1.00 0.00 H new ATOM 310 N LYS A 22 -8.506 12.012 -5.354 1.00 0.00 N ATOM 311 CA LYS A 22 -9.145 13.033 -4.476 1.00 0.00 C ATOM 312 C LYS A 22 -10.666 12.935 -4.609 1.00 0.00 C ATOM 313 O LYS A 22 -11.391 13.845 -4.256 1.00 0.00 O ATOM 314 CB LYS A 22 -8.684 14.429 -4.899 1.00 0.00 C ATOM 315 CG LYS A 22 -8.067 15.148 -3.699 1.00 0.00 C ATOM 316 CD LYS A 22 -9.129 15.337 -2.615 1.00 0.00 C ATOM 317 CE LYS A 22 -8.669 16.415 -1.631 1.00 0.00 C ATOM 318 NZ LYS A 22 -8.081 15.766 -0.424 1.00 0.00 N ATOM 0 H LYS A 22 -7.876 11.365 -4.880 1.00 0.00 H new ATOM 0 HA LYS A 22 -8.858 12.855 -3.440 1.00 0.00 H new ATOM 0 HB2 LYS A 22 -7.955 14.354 -5.706 1.00 0.00 H new ATOM 0 HB3 LYS A 22 -9.528 15.001 -5.285 1.00 0.00 H new ATOM 0 HG2 LYS A 22 -7.230 14.570 -3.306 1.00 0.00 H new ATOM 0 HG3 LYS A 22 -7.670 16.115 -4.006 1.00 0.00 H new ATOM 0 HD2 LYS A 22 -10.078 15.624 -3.067 1.00 0.00 H new ATOM 0 HD3 LYS A 22 -9.298 14.398 -2.089 1.00 0.00 H new ATOM 0 HE2 LYS A 22 -7.932 17.064 -2.104 1.00 0.00 H new ATOM 0 HE3 LYS A 22 -9.511 17.045 -1.345 1.00 0.00 H new ATOM 0 HZ1 LYS A 22 -7.768 16.497 0.246 1.00 0.00 H new ATOM 0 HZ2 LYS A 22 -8.797 15.164 0.030 1.00 0.00 H new ATOM 0 HZ3 LYS A 22 -7.267 15.183 -0.705 1.00 0.00 H new ATOM 332 N SER A 23 -11.155 11.837 -5.116 1.00 0.00 N ATOM 333 CA SER A 23 -12.628 11.677 -5.273 1.00 0.00 C ATOM 334 C SER A 23 -13.158 10.764 -4.166 1.00 0.00 C ATOM 335 O SER A 23 -14.086 10.006 -4.366 1.00 0.00 O ATOM 336 CB SER A 23 -12.926 11.050 -6.634 1.00 0.00 C ATOM 337 OG SER A 23 -14.068 11.678 -7.202 1.00 0.00 O ATOM 0 H SER A 23 -10.597 11.042 -5.429 1.00 0.00 H new ATOM 0 HA SER A 23 -13.112 12.651 -5.206 1.00 0.00 H new ATOM 0 HB2 SER A 23 -12.067 11.164 -7.296 1.00 0.00 H new ATOM 0 HB3 SER A 23 -13.103 9.980 -6.523 1.00 0.00 H new ATOM 0 HG SER A 23 -14.825 11.601 -6.584 1.00 0.00 H new ATOM 343 N ASP A 24 -12.558 10.816 -3.006 1.00 0.00 N ATOM 344 CA ASP A 24 -13.002 9.944 -1.886 1.00 0.00 C ATOM 345 C ASP A 24 -12.432 8.549 -2.105 1.00 0.00 C ATOM 346 O ASP A 24 -12.633 7.651 -1.311 1.00 0.00 O ATOM 347 CB ASP A 24 -14.529 9.870 -1.847 1.00 0.00 C ATOM 348 CG ASP A 24 -15.021 10.210 -0.439 1.00 0.00 C ATOM 349 OD1 ASP A 24 -14.276 10.843 0.291 1.00 0.00 O ATOM 350 OD2 ASP A 24 -16.135 9.832 -0.115 1.00 0.00 O ATOM 0 H ASP A 24 -11.774 11.431 -2.788 1.00 0.00 H new ATOM 0 HA ASP A 24 -12.649 10.354 -0.940 1.00 0.00 H new ATOM 0 HB2 ASP A 24 -14.956 10.565 -2.570 1.00 0.00 H new ATOM 0 HB3 ASP A 24 -14.863 8.871 -2.129 1.00 0.00 H new ATOM 355 N ALA A 25 -11.717 8.358 -3.179 1.00 0.00 N ATOM 356 CA ALA A 25 -11.134 7.024 -3.446 1.00 0.00 C ATOM 357 C ALA A 25 -9.714 6.979 -2.894 1.00 0.00 C ATOM 358 O ALA A 25 -9.186 7.969 -2.429 1.00 0.00 O ATOM 359 CB ALA A 25 -11.107 6.768 -4.953 1.00 0.00 C ATOM 0 H ALA A 25 -11.514 9.071 -3.880 1.00 0.00 H new ATOM 0 HA ALA A 25 -11.739 6.257 -2.963 1.00 0.00 H new ATOM 0 HB1 ALA A 25 -10.677 5.785 -5.147 1.00 0.00 H new ATOM 0 HB2 ALA A 25 -12.123 6.804 -5.346 1.00 0.00 H new ATOM 0 HB3 ALA A 25 -10.501 7.532 -5.441 1.00 0.00 H new ATOM 365 N TYR A 26 -9.090 5.840 -2.942 1.00 0.00 N ATOM 366 CA TYR A 26 -7.704 5.735 -2.419 1.00 0.00 C ATOM 367 C TYR A 26 -6.937 4.694 -3.232 1.00 0.00 C ATOM 368 O TYR A 26 -7.357 4.306 -4.302 1.00 0.00 O ATOM 369 CB TYR A 26 -7.740 5.329 -0.945 1.00 0.00 C ATOM 370 CG TYR A 26 -8.973 4.500 -0.663 1.00 0.00 C ATOM 371 CD1 TYR A 26 -8.935 3.111 -0.837 1.00 0.00 C ATOM 372 CD2 TYR A 26 -10.148 5.116 -0.216 1.00 0.00 C ATOM 373 CE1 TYR A 26 -10.071 2.338 -0.565 1.00 0.00 C ATOM 374 CE2 TYR A 26 -11.284 4.343 0.055 1.00 0.00 C ATOM 375 CZ TYR A 26 -11.245 2.954 -0.120 1.00 0.00 C ATOM 376 OH TYR A 26 -12.365 2.194 0.149 1.00 0.00 O ATOM 0 H TYR A 26 -9.479 4.977 -3.321 1.00 0.00 H new ATOM 0 HA TYR A 26 -7.204 6.699 -2.506 1.00 0.00 H new ATOM 0 HB2 TYR A 26 -6.845 4.760 -0.695 1.00 0.00 H new ATOM 0 HB3 TYR A 26 -7.739 6.218 -0.315 1.00 0.00 H new ATOM 0 HD1 TYR A 26 -8.029 2.635 -1.181 1.00 0.00 H new ATOM 0 HD2 TYR A 26 -10.178 6.187 -0.080 1.00 0.00 H new ATOM 0 HE1 TYR A 26 -10.040 1.267 -0.699 1.00 0.00 H new ATOM 0 HE2 TYR A 26 -12.191 4.818 0.399 1.00 0.00 H new ATOM 0 HH TYR A 26 -13.092 2.778 0.449 1.00 0.00 H new ATOM 386 N PHE A 27 -5.810 4.247 -2.751 1.00 0.00 N ATOM 387 CA PHE A 27 -5.031 3.245 -3.529 1.00 0.00 C ATOM 388 C PHE A 27 -5.082 1.875 -2.850 1.00 0.00 C ATOM 389 O PHE A 27 -4.250 1.539 -2.034 1.00 0.00 O ATOM 390 CB PHE A 27 -3.578 3.711 -3.643 1.00 0.00 C ATOM 391 CG PHE A 27 -3.323 4.204 -5.047 1.00 0.00 C ATOM 392 CD1 PHE A 27 -3.841 3.499 -6.140 1.00 0.00 C ATOM 393 CD2 PHE A 27 -2.574 5.368 -5.257 1.00 0.00 C ATOM 394 CE1 PHE A 27 -3.612 3.956 -7.441 1.00 0.00 C ATOM 395 CE2 PHE A 27 -2.343 5.825 -6.560 1.00 0.00 C ATOM 396 CZ PHE A 27 -2.863 5.119 -7.652 1.00 0.00 C ATOM 0 H PHE A 27 -5.398 4.529 -1.861 1.00 0.00 H new ATOM 0 HA PHE A 27 -5.469 3.153 -4.523 1.00 0.00 H new ATOM 0 HB2 PHE A 27 -3.381 4.506 -2.924 1.00 0.00 H new ATOM 0 HB3 PHE A 27 -2.901 2.891 -3.404 1.00 0.00 H new ATOM 0 HD1 PHE A 27 -4.418 2.601 -5.978 1.00 0.00 H new ATOM 0 HD2 PHE A 27 -2.175 5.913 -4.414 1.00 0.00 H new ATOM 0 HE1 PHE A 27 -4.013 3.412 -8.283 1.00 0.00 H new ATOM 0 HE2 PHE A 27 -1.764 6.722 -6.723 1.00 0.00 H new ATOM 0 HZ PHE A 27 -2.686 5.472 -8.657 1.00 0.00 H new ATOM 406 N VAL A 28 -6.049 1.072 -3.193 1.00 0.00 N ATOM 407 CA VAL A 28 -6.143 -0.278 -2.585 1.00 0.00 C ATOM 408 C VAL A 28 -5.155 -1.209 -3.296 1.00 0.00 C ATOM 409 O VAL A 28 -5.423 -1.716 -4.368 1.00 0.00 O ATOM 410 CB VAL A 28 -7.573 -0.810 -2.737 1.00 0.00 C ATOM 411 CG1 VAL A 28 -7.595 -2.329 -2.547 1.00 0.00 C ATOM 412 CG2 VAL A 28 -8.469 -0.158 -1.681 1.00 0.00 C ATOM 0 H VAL A 28 -6.779 1.295 -3.870 1.00 0.00 H new ATOM 0 HA VAL A 28 -5.898 -0.229 -1.524 1.00 0.00 H new ATOM 0 HB VAL A 28 -7.937 -0.570 -3.736 1.00 0.00 H new ATOM 0 HG11 VAL A 28 -8.616 -2.695 -2.657 1.00 0.00 H new ATOM 0 HG12 VAL A 28 -6.958 -2.799 -3.297 1.00 0.00 H new ATOM 0 HG13 VAL A 28 -7.226 -2.577 -1.551 1.00 0.00 H new ATOM 0 HG21 VAL A 28 -9.487 -0.533 -1.785 1.00 0.00 H new ATOM 0 HG22 VAL A 28 -8.094 -0.399 -0.686 1.00 0.00 H new ATOM 0 HG23 VAL A 28 -8.465 0.923 -1.818 1.00 0.00 H new ATOM 422 N LEU A 29 -4.010 -1.427 -2.710 1.00 0.00 N ATOM 423 CA LEU A 29 -2.995 -2.311 -3.350 1.00 0.00 C ATOM 424 C LEU A 29 -3.595 -3.693 -3.611 1.00 0.00 C ATOM 425 O LEU A 29 -4.330 -4.230 -2.807 1.00 0.00 O ATOM 426 CB LEU A 29 -1.781 -2.449 -2.427 1.00 0.00 C ATOM 427 CG LEU A 29 -0.843 -3.534 -2.964 1.00 0.00 C ATOM 428 CD1 LEU A 29 0.480 -2.901 -3.393 1.00 0.00 C ATOM 429 CD2 LEU A 29 -0.582 -4.566 -1.867 1.00 0.00 C ATOM 0 H LEU A 29 -3.733 -1.030 -1.812 1.00 0.00 H new ATOM 0 HA LEU A 29 -2.686 -1.870 -4.298 1.00 0.00 H new ATOM 0 HB2 LEU A 29 -1.252 -1.498 -2.361 1.00 0.00 H new ATOM 0 HB3 LEU A 29 -2.106 -2.703 -1.418 1.00 0.00 H new ATOM 0 HG LEU A 29 -1.305 -4.022 -3.822 1.00 0.00 H new ATOM 0 HD11 LEU A 29 1.146 -3.674 -3.775 1.00 0.00 H new ATOM 0 HD12 LEU A 29 0.294 -2.164 -4.174 1.00 0.00 H new ATOM 0 HD13 LEU A 29 0.944 -2.413 -2.536 1.00 0.00 H new ATOM 0 HD21 LEU A 29 0.085 -5.340 -2.247 1.00 0.00 H new ATOM 0 HD22 LEU A 29 -0.120 -4.077 -1.010 1.00 0.00 H new ATOM 0 HD23 LEU A 29 -1.525 -5.019 -1.561 1.00 0.00 H new ATOM 441 N ARG A 30 -3.273 -4.274 -4.734 1.00 0.00 N ATOM 442 CA ARG A 30 -3.803 -5.625 -5.061 1.00 0.00 C ATOM 443 C ARG A 30 -2.681 -6.458 -5.682 1.00 0.00 C ATOM 444 O ARG A 30 -1.521 -6.102 -5.612 1.00 0.00 O ATOM 445 CB ARG A 30 -4.958 -5.495 -6.055 1.00 0.00 C ATOM 446 CG ARG A 30 -6.287 -5.655 -5.315 1.00 0.00 C ATOM 447 CD ARG A 30 -7.273 -4.592 -5.800 1.00 0.00 C ATOM 448 NE ARG A 30 -7.257 -4.540 -7.289 1.00 0.00 N ATOM 449 CZ ARG A 30 -8.365 -4.339 -7.947 1.00 0.00 C ATOM 450 NH1 ARG A 30 -9.274 -3.536 -7.466 1.00 0.00 N ATOM 451 NH2 ARG A 30 -8.565 -4.942 -9.087 1.00 0.00 N ATOM 0 H ARG A 30 -2.662 -3.867 -5.442 1.00 0.00 H new ATOM 0 HA ARG A 30 -4.166 -6.111 -4.155 1.00 0.00 H new ATOM 0 HB2 ARG A 30 -4.919 -4.524 -6.549 1.00 0.00 H new ATOM 0 HB3 ARG A 30 -4.869 -6.253 -6.833 1.00 0.00 H new ATOM 0 HG2 ARG A 30 -6.695 -6.651 -5.489 1.00 0.00 H new ATOM 0 HG3 ARG A 30 -6.131 -5.558 -4.241 1.00 0.00 H new ATOM 0 HD2 ARG A 30 -8.277 -4.823 -5.445 1.00 0.00 H new ATOM 0 HD3 ARG A 30 -7.006 -3.619 -5.389 1.00 0.00 H new ATOM 0 HE ARG A 30 -6.379 -4.662 -7.794 1.00 0.00 H new ATOM 0 HH11 ARG A 30 -9.118 -3.065 -6.575 1.00 0.00 H new ATOM 0 HH12 ARG A 30 -10.140 -3.379 -7.981 1.00 0.00 H new ATOM 0 HH21 ARG A 30 -7.855 -5.570 -9.463 1.00 0.00 H new ATOM 0 HH22 ARG A 30 -9.431 -4.785 -9.602 1.00 0.00 H new ATOM 465 N ASP A 31 -3.011 -7.563 -6.292 1.00 0.00 N ATOM 466 CA ASP A 31 -1.953 -8.407 -6.913 1.00 0.00 C ATOM 467 C ASP A 31 -2.511 -9.088 -8.166 1.00 0.00 C ATOM 468 O ASP A 31 -3.049 -10.176 -8.107 1.00 0.00 O ATOM 469 CB ASP A 31 -1.494 -9.471 -5.912 1.00 0.00 C ATOM 470 CG ASP A 31 -2.662 -10.402 -5.579 1.00 0.00 C ATOM 471 OD1 ASP A 31 -3.564 -9.963 -4.885 1.00 0.00 O ATOM 472 OD2 ASP A 31 -2.634 -11.538 -6.025 1.00 0.00 O ATOM 0 H ASP A 31 -3.963 -7.916 -6.387 1.00 0.00 H new ATOM 0 HA ASP A 31 -1.105 -7.780 -7.189 1.00 0.00 H new ATOM 0 HB2 ASP A 31 -0.667 -10.045 -6.330 1.00 0.00 H new ATOM 0 HB3 ASP A 31 -1.125 -8.995 -5.004 1.00 0.00 H new ATOM 477 N GLY A 32 -2.387 -8.455 -9.300 1.00 0.00 N ATOM 478 CA GLY A 32 -2.910 -9.067 -10.555 1.00 0.00 C ATOM 479 C GLY A 32 -2.266 -10.440 -10.760 1.00 0.00 C ATOM 480 O GLY A 32 -1.730 -11.027 -9.841 1.00 0.00 O ATOM 0 H GLY A 32 -1.947 -7.542 -9.412 1.00 0.00 H new ATOM 0 HA2 GLY A 32 -3.994 -9.167 -10.499 1.00 0.00 H new ATOM 0 HA3 GLY A 32 -2.693 -8.421 -11.405 1.00 0.00 H new ATOM 484 N ALA A 33 -2.311 -10.954 -11.958 1.00 0.00 N ATOM 485 CA ALA A 33 -1.701 -12.287 -12.219 1.00 0.00 C ATOM 486 C ALA A 33 -0.269 -12.101 -12.728 1.00 0.00 C ATOM 487 O ALA A 33 0.284 -12.961 -13.384 1.00 0.00 O ATOM 488 CB ALA A 33 -2.524 -13.029 -13.275 1.00 0.00 C ATOM 0 H ALA A 33 -2.744 -10.508 -12.767 1.00 0.00 H new ATOM 0 HA ALA A 33 -1.688 -12.867 -11.296 1.00 0.00 H new ATOM 0 HB1 ALA A 33 -2.077 -14.005 -13.465 1.00 0.00 H new ATOM 0 HB2 ALA A 33 -3.544 -13.162 -12.914 1.00 0.00 H new ATOM 0 HB3 ALA A 33 -2.538 -12.450 -14.198 1.00 0.00 H new ATOM 494 N ALA A 34 0.335 -10.983 -12.429 1.00 0.00 N ATOM 495 CA ALA A 34 1.730 -10.744 -12.895 1.00 0.00 C ATOM 496 C ALA A 34 2.559 -10.161 -11.747 1.00 0.00 C ATOM 497 O ALA A 34 3.636 -10.632 -11.447 1.00 0.00 O ATOM 498 CB ALA A 34 1.714 -9.756 -14.064 1.00 0.00 C ATOM 0 H ALA A 34 -0.077 -10.226 -11.883 1.00 0.00 H new ATOM 0 HA ALA A 34 2.171 -11.686 -13.220 1.00 0.00 H new ATOM 0 HB1 ALA A 34 2.734 -9.580 -14.406 1.00 0.00 H new ATOM 0 HB2 ALA A 34 1.123 -10.169 -14.882 1.00 0.00 H new ATOM 0 HB3 ALA A 34 1.273 -8.814 -13.738 1.00 0.00 H new ATOM 504 N GLY A 35 2.063 -9.139 -11.105 1.00 0.00 N ATOM 505 CA GLY A 35 2.824 -8.528 -9.978 1.00 0.00 C ATOM 506 C GLY A 35 1.874 -7.708 -9.103 1.00 0.00 C ATOM 507 O GLY A 35 0.697 -7.596 -9.384 1.00 0.00 O ATOM 0 H GLY A 35 1.165 -8.701 -11.311 1.00 0.00 H new ATOM 0 HA2 GLY A 35 3.301 -9.307 -9.383 1.00 0.00 H new ATOM 0 HA3 GLY A 35 3.619 -7.891 -10.366 1.00 0.00 H new ATOM 511 N VAL A 36 2.376 -7.134 -8.045 1.00 0.00 N ATOM 512 CA VAL A 36 1.501 -6.321 -7.152 1.00 0.00 C ATOM 513 C VAL A 36 1.409 -4.892 -7.692 1.00 0.00 C ATOM 514 O VAL A 36 2.193 -4.481 -8.524 1.00 0.00 O ATOM 515 CB VAL A 36 2.096 -6.295 -5.742 1.00 0.00 C ATOM 516 CG1 VAL A 36 2.473 -7.715 -5.320 1.00 0.00 C ATOM 517 CG2 VAL A 36 3.347 -5.415 -5.732 1.00 0.00 C ATOM 0 H VAL A 36 3.354 -7.192 -7.760 1.00 0.00 H new ATOM 0 HA VAL A 36 0.505 -6.762 -7.119 1.00 0.00 H new ATOM 0 HB VAL A 36 1.360 -5.891 -5.047 1.00 0.00 H new ATOM 0 HG11 VAL A 36 2.897 -7.696 -4.316 1.00 0.00 H new ATOM 0 HG12 VAL A 36 1.583 -8.345 -5.327 1.00 0.00 H new ATOM 0 HG13 VAL A 36 3.208 -8.118 -6.016 1.00 0.00 H new ATOM 0 HG21 VAL A 36 3.771 -5.396 -4.728 1.00 0.00 H new ATOM 0 HG22 VAL A 36 4.082 -5.819 -6.429 1.00 0.00 H new ATOM 0 HG23 VAL A 36 3.081 -4.401 -6.032 1.00 0.00 H new ATOM 527 N PHE A 37 0.458 -4.131 -7.225 1.00 0.00 N ATOM 528 CA PHE A 37 0.319 -2.730 -7.713 1.00 0.00 C ATOM 529 C PHE A 37 -0.690 -1.983 -6.839 1.00 0.00 C ATOM 530 O PHE A 37 -1.121 -2.473 -5.814 1.00 0.00 O ATOM 531 CB PHE A 37 -0.160 -2.743 -9.166 1.00 0.00 C ATOM 532 CG PHE A 37 -1.619 -3.125 -9.219 1.00 0.00 C ATOM 533 CD1 PHE A 37 -2.027 -4.395 -8.793 1.00 0.00 C ATOM 534 CD2 PHE A 37 -2.564 -2.210 -9.696 1.00 0.00 C ATOM 535 CE1 PHE A 37 -3.382 -4.747 -8.844 1.00 0.00 C ATOM 536 CE2 PHE A 37 -3.916 -2.562 -9.746 1.00 0.00 C ATOM 537 CZ PHE A 37 -4.326 -3.831 -9.321 1.00 0.00 C ATOM 0 H PHE A 37 -0.228 -4.418 -6.527 1.00 0.00 H new ATOM 0 HA PHE A 37 1.283 -2.225 -7.657 1.00 0.00 H new ATOM 0 HB2 PHE A 37 -0.015 -1.760 -9.615 1.00 0.00 H new ATOM 0 HB3 PHE A 37 0.432 -3.450 -9.748 1.00 0.00 H new ATOM 0 HD1 PHE A 37 -1.298 -5.102 -8.426 1.00 0.00 H new ATOM 0 HD2 PHE A 37 -2.249 -1.231 -10.026 1.00 0.00 H new ATOM 0 HE1 PHE A 37 -3.698 -5.726 -8.515 1.00 0.00 H new ATOM 0 HE2 PHE A 37 -4.645 -1.854 -10.113 1.00 0.00 H new ATOM 0 HZ PHE A 37 -5.370 -4.103 -9.361 1.00 0.00 H new ATOM 547 N LEU A 38 -1.069 -0.798 -7.234 1.00 0.00 N ATOM 548 CA LEU A 38 -2.046 -0.021 -6.419 1.00 0.00 C ATOM 549 C LEU A 38 -3.168 0.502 -7.315 1.00 0.00 C ATOM 550 O LEU A 38 -3.025 1.510 -7.977 1.00 0.00 O ATOM 551 CB LEU A 38 -1.341 1.165 -5.756 1.00 0.00 C ATOM 552 CG LEU A 38 0.128 0.823 -5.502 1.00 0.00 C ATOM 553 CD1 LEU A 38 0.883 2.091 -5.099 1.00 0.00 C ATOM 554 CD2 LEU A 38 0.224 -0.206 -4.373 1.00 0.00 C ATOM 0 H LEU A 38 -0.745 -0.335 -8.083 1.00 0.00 H new ATOM 0 HA LEU A 38 -2.464 -0.674 -5.652 1.00 0.00 H new ATOM 0 HB2 LEU A 38 -1.413 2.045 -6.395 1.00 0.00 H new ATOM 0 HB3 LEU A 38 -1.833 1.412 -4.816 1.00 0.00 H new ATOM 0 HG LEU A 38 0.567 0.410 -6.410 1.00 0.00 H new ATOM 0 HD11 LEU A 38 1.930 1.849 -4.918 1.00 0.00 H new ATOM 0 HD12 LEU A 38 0.814 2.826 -5.901 1.00 0.00 H new ATOM 0 HD13 LEU A 38 0.443 2.503 -4.191 1.00 0.00 H new ATOM 0 HD21 LEU A 38 1.271 -0.450 -4.191 1.00 0.00 H new ATOM 0 HD22 LEU A 38 -0.215 0.208 -3.465 1.00 0.00 H new ATOM 0 HD23 LEU A 38 -0.315 -1.110 -4.657 1.00 0.00 H new ATOM 566 N ALA A 39 -4.291 -0.164 -7.333 1.00 0.00 N ATOM 567 CA ALA A 39 -5.418 0.315 -8.177 1.00 0.00 C ATOM 568 C ALA A 39 -6.331 1.197 -7.330 1.00 0.00 C ATOM 569 O ALA A 39 -6.598 0.910 -6.177 1.00 0.00 O ATOM 570 CB ALA A 39 -6.223 -0.872 -8.711 1.00 0.00 C ATOM 0 H ALA A 39 -4.474 -1.015 -6.802 1.00 0.00 H new ATOM 0 HA ALA A 39 -5.019 0.881 -9.019 1.00 0.00 H new ATOM 0 HB1 ALA A 39 -7.045 -0.507 -9.327 1.00 0.00 H new ATOM 0 HB2 ALA A 39 -5.575 -1.510 -9.312 1.00 0.00 H new ATOM 0 HB3 ALA A 39 -6.623 -1.446 -7.875 1.00 0.00 H new ATOM 576 N ALA A 40 -6.816 2.267 -7.888 1.00 0.00 N ATOM 577 CA ALA A 40 -7.716 3.156 -7.112 1.00 0.00 C ATOM 578 C ALA A 40 -8.965 2.366 -6.719 1.00 0.00 C ATOM 579 O ALA A 40 -9.485 1.590 -7.496 1.00 0.00 O ATOM 580 CB ALA A 40 -8.106 4.357 -7.973 1.00 0.00 C ATOM 0 H ALA A 40 -6.628 2.563 -8.846 1.00 0.00 H new ATOM 0 HA ALA A 40 -7.212 3.513 -6.214 1.00 0.00 H new ATOM 0 HB1 ALA A 40 -8.767 5.012 -7.406 1.00 0.00 H new ATOM 0 HB2 ALA A 40 -7.209 4.906 -8.259 1.00 0.00 H new ATOM 0 HB3 ALA A 40 -8.620 4.010 -8.869 1.00 0.00 H new ATOM 586 N ASN A 41 -9.447 2.545 -5.522 1.00 0.00 N ATOM 587 CA ASN A 41 -10.657 1.791 -5.091 1.00 0.00 C ATOM 588 C ASN A 41 -11.882 2.311 -5.852 1.00 0.00 C ATOM 589 O ASN A 41 -12.965 1.772 -5.744 1.00 0.00 O ATOM 590 CB ASN A 41 -10.862 1.973 -3.583 1.00 0.00 C ATOM 591 CG ASN A 41 -12.279 1.540 -3.197 1.00 0.00 C ATOM 592 OD1 ASN A 41 -13.175 2.357 -3.115 1.00 0.00 O ATOM 593 ND2 ASN A 41 -12.520 0.281 -2.954 1.00 0.00 N ATOM 0 H ASN A 41 -9.057 3.179 -4.825 1.00 0.00 H new ATOM 0 HA ASN A 41 -10.525 0.731 -5.309 1.00 0.00 H new ATOM 0 HB2 ASN A 41 -10.129 1.383 -3.033 1.00 0.00 H new ATOM 0 HB3 ASN A 41 -10.703 3.016 -3.308 1.00 0.00 H new ATOM 0 HD21 ASN A 41 -13.460 -0.018 -2.695 1.00 0.00 H new ATOM 0 HD22 ASN A 41 -11.768 -0.405 -3.023 1.00 0.00 H new ATOM 600 N THR A 42 -11.717 3.348 -6.628 1.00 0.00 N ATOM 601 CA THR A 42 -12.871 3.892 -7.399 1.00 0.00 C ATOM 602 C THR A 42 -12.819 3.367 -8.837 1.00 0.00 C ATOM 603 O THR A 42 -13.651 3.701 -9.656 1.00 0.00 O ATOM 604 CB THR A 42 -12.802 5.422 -7.410 1.00 0.00 C ATOM 605 OG1 THR A 42 -11.445 5.833 -7.323 1.00 0.00 O ATOM 606 CG2 THR A 42 -13.584 5.978 -6.219 1.00 0.00 C ATOM 0 H THR A 42 -10.834 3.841 -6.761 1.00 0.00 H new ATOM 0 HA THR A 42 -13.803 3.574 -6.931 1.00 0.00 H new ATOM 0 HB THR A 42 -13.238 5.800 -8.335 1.00 0.00 H new ATOM 0 HG1 THR A 42 -11.361 6.755 -7.645 1.00 0.00 H new ATOM 0 HG21 THR A 42 -13.534 7.067 -6.228 1.00 0.00 H new ATOM 0 HG22 THR A 42 -14.625 5.662 -6.287 1.00 0.00 H new ATOM 0 HG23 THR A 42 -13.151 5.602 -5.292 1.00 0.00 H new ATOM 614 N PHE A 43 -11.847 2.545 -9.144 1.00 0.00 N ATOM 615 CA PHE A 43 -11.729 1.987 -10.525 1.00 0.00 C ATOM 616 C PHE A 43 -13.127 1.670 -11.075 1.00 0.00 C ATOM 617 O PHE A 43 -13.988 1.233 -10.339 1.00 0.00 O ATOM 618 CB PHE A 43 -10.903 0.698 -10.472 1.00 0.00 C ATOM 619 CG PHE A 43 -10.958 0.004 -11.810 1.00 0.00 C ATOM 620 CD1 PHE A 43 -12.104 -0.711 -12.182 1.00 0.00 C ATOM 621 CD2 PHE A 43 -9.865 0.074 -12.681 1.00 0.00 C ATOM 622 CE1 PHE A 43 -12.155 -1.355 -13.424 1.00 0.00 C ATOM 623 CE2 PHE A 43 -9.916 -0.569 -13.923 1.00 0.00 C ATOM 624 CZ PHE A 43 -11.061 -1.284 -14.294 1.00 0.00 C ATOM 0 H PHE A 43 -11.126 2.235 -8.493 1.00 0.00 H new ATOM 0 HA PHE A 43 -11.243 2.715 -11.174 1.00 0.00 H new ATOM 0 HB2 PHE A 43 -9.869 0.927 -10.213 1.00 0.00 H new ATOM 0 HB3 PHE A 43 -11.288 0.039 -9.694 1.00 0.00 H new ATOM 0 HD1 PHE A 43 -12.948 -0.765 -11.511 1.00 0.00 H new ATOM 0 HD2 PHE A 43 -8.981 0.625 -12.395 1.00 0.00 H new ATOM 0 HE1 PHE A 43 -13.038 -1.906 -13.711 1.00 0.00 H new ATOM 0 HE2 PHE A 43 -9.072 -0.514 -14.595 1.00 0.00 H new ATOM 0 HZ PHE A 43 -11.100 -1.781 -15.252 1.00 0.00 H new ATOM 634 N PRO A 44 -13.311 1.890 -12.355 1.00 0.00 N ATOM 635 CA PRO A 44 -12.274 2.416 -13.233 1.00 0.00 C ATOM 636 C PRO A 44 -12.158 3.940 -13.093 1.00 0.00 C ATOM 637 O PRO A 44 -11.291 4.556 -13.680 1.00 0.00 O ATOM 638 CB PRO A 44 -12.756 2.059 -14.631 1.00 0.00 C ATOM 639 CG PRO A 44 -14.310 2.016 -14.482 1.00 0.00 C ATOM 640 CD PRO A 44 -14.595 1.599 -13.009 1.00 0.00 C ATOM 0 HA PRO A 44 -11.291 2.006 -13.001 1.00 0.00 H new ATOM 0 HB2 PRO A 44 -12.444 2.802 -15.365 1.00 0.00 H new ATOM 0 HB3 PRO A 44 -12.358 1.099 -14.960 1.00 0.00 H new ATOM 0 HG2 PRO A 44 -14.749 2.989 -14.703 1.00 0.00 H new ATOM 0 HG3 PRO A 44 -14.748 1.303 -15.180 1.00 0.00 H new ATOM 0 HD2 PRO A 44 -15.414 2.172 -12.574 1.00 0.00 H new ATOM 0 HD3 PRO A 44 -14.865 0.546 -12.928 1.00 0.00 H new ATOM 648 N LYS A 45 -13.029 4.554 -12.331 1.00 0.00 N ATOM 649 CA LYS A 45 -12.967 6.036 -12.166 1.00 0.00 C ATOM 650 C LYS A 45 -11.507 6.471 -12.017 1.00 0.00 C ATOM 651 O LYS A 45 -11.138 7.572 -12.372 1.00 0.00 O ATOM 652 CB LYS A 45 -13.768 6.440 -10.923 1.00 0.00 C ATOM 653 CG LYS A 45 -13.325 7.823 -10.447 1.00 0.00 C ATOM 654 CD LYS A 45 -14.220 8.282 -9.294 1.00 0.00 C ATOM 655 CE LYS A 45 -15.066 9.473 -9.747 1.00 0.00 C ATOM 656 NZ LYS A 45 -15.764 10.064 -8.571 1.00 0.00 N ATOM 0 H LYS A 45 -13.779 4.092 -11.817 1.00 0.00 H new ATOM 0 HA LYS A 45 -13.395 6.525 -13.041 1.00 0.00 H new ATOM 0 HB2 LYS A 45 -14.833 6.449 -11.153 1.00 0.00 H new ATOM 0 HB3 LYS A 45 -13.619 5.708 -10.130 1.00 0.00 H new ATOM 0 HG2 LYS A 45 -12.285 7.791 -10.122 1.00 0.00 H new ATOM 0 HG3 LYS A 45 -13.380 8.536 -11.269 1.00 0.00 H new ATOM 0 HD2 LYS A 45 -14.866 7.465 -8.974 1.00 0.00 H new ATOM 0 HD3 LYS A 45 -13.610 8.562 -8.435 1.00 0.00 H new ATOM 0 HE2 LYS A 45 -14.433 10.223 -10.222 1.00 0.00 H new ATOM 0 HE3 LYS A 45 -15.794 9.153 -10.492 1.00 0.00 H new ATOM 0 HZ1 LYS A 45 -16.714 10.378 -8.853 1.00 0.00 H new ATOM 0 HZ2 LYS A 45 -15.844 9.349 -7.820 1.00 0.00 H new ATOM 0 HZ3 LYS A 45 -15.221 10.878 -8.218 1.00 0.00 H new ATOM 670 N SER A 46 -10.676 5.612 -11.500 1.00 0.00 N ATOM 671 CA SER A 46 -9.243 5.976 -11.335 1.00 0.00 C ATOM 672 C SER A 46 -8.374 4.820 -11.827 1.00 0.00 C ATOM 673 O SER A 46 -8.125 3.868 -11.113 1.00 0.00 O ATOM 674 CB SER A 46 -8.954 6.246 -9.858 1.00 0.00 C ATOM 675 OG SER A 46 -9.207 7.615 -9.575 1.00 0.00 O ATOM 0 H SER A 46 -10.926 4.675 -11.185 1.00 0.00 H new ATOM 0 HA SER A 46 -9.020 6.872 -11.914 1.00 0.00 H new ATOM 0 HB2 SER A 46 -9.580 5.611 -9.231 1.00 0.00 H new ATOM 0 HB3 SER A 46 -7.918 6.000 -9.627 1.00 0.00 H new ATOM 0 HG SER A 46 -9.644 7.693 -8.701 1.00 0.00 H new ATOM 681 N ARG A 47 -7.911 4.892 -13.044 1.00 0.00 N ATOM 682 CA ARG A 47 -7.062 3.794 -13.582 1.00 0.00 C ATOM 683 C ARG A 47 -5.597 4.088 -13.264 1.00 0.00 C ATOM 684 O ARG A 47 -4.717 3.866 -14.073 1.00 0.00 O ATOM 685 CB ARG A 47 -7.248 3.699 -15.097 1.00 0.00 C ATOM 686 CG ARG A 47 -8.013 2.419 -15.439 1.00 0.00 C ATOM 687 CD ARG A 47 -8.632 2.550 -16.831 1.00 0.00 C ATOM 688 NE ARG A 47 -9.649 1.479 -17.027 1.00 0.00 N ATOM 689 CZ ARG A 47 -10.194 1.302 -18.199 1.00 0.00 C ATOM 690 NH1 ARG A 47 -9.501 0.766 -19.167 1.00 0.00 N ATOM 691 NH2 ARG A 47 -11.431 1.661 -18.405 1.00 0.00 N ATOM 0 H ARG A 47 -8.084 5.663 -13.688 1.00 0.00 H new ATOM 0 HA ARG A 47 -7.353 2.849 -13.123 1.00 0.00 H new ATOM 0 HB2 ARG A 47 -7.793 4.569 -15.462 1.00 0.00 H new ATOM 0 HB3 ARG A 47 -6.278 3.699 -15.594 1.00 0.00 H new ATOM 0 HG2 ARG A 47 -7.341 1.562 -15.408 1.00 0.00 H new ATOM 0 HG3 ARG A 47 -8.792 2.240 -14.698 1.00 0.00 H new ATOM 0 HD2 ARG A 47 -9.095 3.530 -16.944 1.00 0.00 H new ATOM 0 HD3 ARG A 47 -7.857 2.474 -17.594 1.00 0.00 H new ATOM 0 HE ARG A 47 -9.919 0.884 -16.244 1.00 0.00 H new ATOM 0 HH11 ARG A 47 -8.533 0.486 -19.007 1.00 0.00 H new ATOM 0 HH12 ARG A 47 -9.927 0.628 -20.083 1.00 0.00 H new ATOM 0 HH21 ARG A 47 -11.973 2.080 -17.649 1.00 0.00 H new ATOM 0 HH22 ARG A 47 -11.856 1.522 -19.322 1.00 0.00 H new ATOM 705 N GLU A 48 -5.328 4.584 -12.087 1.00 0.00 N ATOM 706 CA GLU A 48 -3.920 4.890 -11.710 1.00 0.00 C ATOM 707 C GLU A 48 -3.269 3.626 -11.147 1.00 0.00 C ATOM 708 O GLU A 48 -2.856 3.583 -10.006 1.00 0.00 O ATOM 709 CB GLU A 48 -3.903 5.993 -10.650 1.00 0.00 C ATOM 710 CG GLU A 48 -4.546 7.258 -11.218 1.00 0.00 C ATOM 711 CD GLU A 48 -5.081 8.119 -10.072 1.00 0.00 C ATOM 712 OE1 GLU A 48 -4.277 8.748 -9.405 1.00 0.00 O ATOM 713 OE2 GLU A 48 -6.286 8.134 -9.881 1.00 0.00 O ATOM 0 H GLU A 48 -6.024 4.790 -11.370 1.00 0.00 H new ATOM 0 HA GLU A 48 -3.368 5.228 -12.587 1.00 0.00 H new ATOM 0 HB2 GLU A 48 -4.443 5.666 -9.761 1.00 0.00 H new ATOM 0 HB3 GLU A 48 -2.878 6.200 -10.342 1.00 0.00 H new ATOM 0 HG2 GLU A 48 -3.815 7.821 -11.799 1.00 0.00 H new ATOM 0 HG3 GLU A 48 -5.357 6.993 -11.897 1.00 0.00 H new ATOM 720 N THR A 49 -3.184 2.591 -11.937 1.00 0.00 N ATOM 721 CA THR A 49 -2.572 1.324 -11.445 1.00 0.00 C ATOM 722 C THR A 49 -1.065 1.338 -11.710 1.00 0.00 C ATOM 723 O THR A 49 -0.593 1.966 -12.637 1.00 0.00 O ATOM 724 CB THR A 49 -3.208 0.136 -12.173 1.00 0.00 C ATOM 725 OG1 THR A 49 -2.464 -0.148 -13.350 1.00 0.00 O ATOM 726 CG2 THR A 49 -4.653 0.469 -12.548 1.00 0.00 C ATOM 0 H THR A 49 -3.512 2.568 -12.903 1.00 0.00 H new ATOM 0 HA THR A 49 -2.746 1.233 -10.373 1.00 0.00 H new ATOM 0 HB THR A 49 -3.201 -0.734 -11.517 1.00 0.00 H new ATOM 0 HG1 THR A 49 -2.868 -0.909 -13.817 1.00 0.00 H new ATOM 0 HG21 THR A 49 -5.100 -0.380 -13.065 1.00 0.00 H new ATOM 0 HG22 THR A 49 -5.223 0.684 -11.644 1.00 0.00 H new ATOM 0 HG23 THR A 49 -4.667 1.341 -13.202 1.00 0.00 H new ATOM 734 N ARG A 50 -0.310 0.646 -10.901 1.00 0.00 N ATOM 735 CA ARG A 50 1.167 0.610 -11.096 1.00 0.00 C ATOM 736 C ARG A 50 1.832 0.119 -9.809 1.00 0.00 C ATOM 737 O ARG A 50 1.220 0.080 -8.760 1.00 0.00 O ATOM 738 CB ARG A 50 1.675 2.015 -11.427 1.00 0.00 C ATOM 739 CG ARG A 50 2.090 2.076 -12.898 1.00 0.00 C ATOM 740 CD ARG A 50 3.287 3.016 -13.053 1.00 0.00 C ATOM 741 NE ARG A 50 2.988 4.315 -12.388 1.00 0.00 N ATOM 742 CZ ARG A 50 3.876 4.869 -11.608 1.00 0.00 C ATOM 743 NH1 ARG A 50 5.021 5.259 -12.097 1.00 0.00 N ATOM 744 NH2 ARG A 50 3.618 5.031 -10.339 1.00 0.00 N ATOM 0 H ARG A 50 -0.654 0.102 -10.110 1.00 0.00 H new ATOM 0 HA ARG A 50 1.411 -0.065 -11.917 1.00 0.00 H new ATOM 0 HB2 ARG A 50 0.896 2.751 -11.227 1.00 0.00 H new ATOM 0 HB3 ARG A 50 2.522 2.266 -10.789 1.00 0.00 H new ATOM 0 HG2 ARG A 50 2.348 1.079 -13.255 1.00 0.00 H new ATOM 0 HG3 ARG A 50 1.257 2.427 -13.507 1.00 0.00 H new ATOM 0 HD2 ARG A 50 4.176 2.566 -12.612 1.00 0.00 H new ATOM 0 HD3 ARG A 50 3.502 3.177 -14.109 1.00 0.00 H new ATOM 0 HE ARG A 50 2.089 4.772 -12.542 1.00 0.00 H new ATOM 0 HH11 ARG A 50 5.222 5.131 -13.089 1.00 0.00 H new ATOM 0 HH12 ARG A 50 5.715 5.692 -11.488 1.00 0.00 H new ATOM 0 HH21 ARG A 50 2.723 4.725 -9.957 1.00 0.00 H new ATOM 0 HH22 ARG A 50 4.311 5.464 -9.729 1.00 0.00 H new ATOM 758 N ALA A 51 3.080 -0.258 -9.877 1.00 0.00 N ATOM 759 CA ALA A 51 3.776 -0.744 -8.652 1.00 0.00 C ATOM 760 C ALA A 51 3.950 0.420 -7.672 1.00 0.00 C ATOM 761 O ALA A 51 4.078 1.556 -8.080 1.00 0.00 O ATOM 762 CB ALA A 51 5.145 -1.307 -9.027 1.00 0.00 C ATOM 0 H ALA A 51 3.646 -0.251 -10.725 1.00 0.00 H new ATOM 0 HA ALA A 51 3.182 -1.529 -8.184 1.00 0.00 H new ATOM 0 HB1 ALA A 51 5.651 -1.661 -8.129 1.00 0.00 H new ATOM 0 HB2 ALA A 51 5.019 -2.136 -9.724 1.00 0.00 H new ATOM 0 HB3 ALA A 51 5.743 -0.526 -9.496 1.00 0.00 H new ATOM 768 N PRO A 52 3.936 0.101 -6.403 1.00 0.00 N ATOM 769 CA PRO A 52 4.075 1.101 -5.355 1.00 0.00 C ATOM 770 C PRO A 52 5.532 1.561 -5.210 1.00 0.00 C ATOM 771 O PRO A 52 6.440 0.762 -5.084 1.00 0.00 O ATOM 772 CB PRO A 52 3.624 0.382 -4.090 1.00 0.00 C ATOM 773 CG PRO A 52 3.927 -1.119 -4.394 1.00 0.00 C ATOM 774 CD PRO A 52 3.770 -1.285 -5.933 1.00 0.00 C ATOM 0 HA PRO A 52 3.493 1.998 -5.569 1.00 0.00 H new ATOM 0 HB2 PRO A 52 4.170 0.732 -3.214 1.00 0.00 H new ATOM 0 HB3 PRO A 52 2.565 0.545 -3.892 1.00 0.00 H new ATOM 0 HG2 PRO A 52 4.934 -1.386 -4.073 1.00 0.00 H new ATOM 0 HG3 PRO A 52 3.238 -1.772 -3.859 1.00 0.00 H new ATOM 0 HD2 PRO A 52 4.524 -1.952 -6.351 1.00 0.00 H new ATOM 0 HD3 PRO A 52 2.797 -1.695 -6.203 1.00 0.00 H new ATOM 782 N LEU A 53 5.756 2.848 -5.210 1.00 0.00 N ATOM 783 CA LEU A 53 7.141 3.364 -5.046 1.00 0.00 C ATOM 784 C LEU A 53 7.758 2.729 -3.795 1.00 0.00 C ATOM 785 O LEU A 53 7.067 2.438 -2.840 1.00 0.00 O ATOM 786 CB LEU A 53 7.096 4.886 -4.874 1.00 0.00 C ATOM 787 CG LEU A 53 8.294 5.525 -5.577 1.00 0.00 C ATOM 788 CD1 LEU A 53 7.943 6.954 -5.994 1.00 0.00 C ATOM 789 CD2 LEU A 53 9.489 5.557 -4.624 1.00 0.00 C ATOM 0 H LEU A 53 5.037 3.563 -5.317 1.00 0.00 H new ATOM 0 HA LEU A 53 7.739 3.115 -5.923 1.00 0.00 H new ATOM 0 HB2 LEU A 53 6.168 5.280 -5.288 1.00 0.00 H new ATOM 0 HB3 LEU A 53 7.106 5.141 -3.814 1.00 0.00 H new ATOM 0 HG LEU A 53 8.546 4.939 -6.461 1.00 0.00 H new ATOM 0 HD11 LEU A 53 8.798 7.407 -6.495 1.00 0.00 H new ATOM 0 HD12 LEU A 53 7.092 6.936 -6.675 1.00 0.00 H new ATOM 0 HD13 LEU A 53 7.688 7.539 -5.110 1.00 0.00 H new ATOM 0 HD21 LEU A 53 10.343 6.013 -5.126 1.00 0.00 H new ATOM 0 HD22 LEU A 53 9.234 6.141 -3.740 1.00 0.00 H new ATOM 0 HD23 LEU A 53 9.744 4.540 -4.326 1.00 0.00 H new ATOM 801 N VAL A 54 9.044 2.503 -3.785 1.00 0.00 N ATOM 802 CA VAL A 54 9.675 1.882 -2.585 1.00 0.00 C ATOM 803 C VAL A 54 9.499 2.802 -1.374 1.00 0.00 C ATOM 804 O VAL A 54 9.461 2.354 -0.246 1.00 0.00 O ATOM 805 CB VAL A 54 11.167 1.655 -2.838 1.00 0.00 C ATOM 806 CG1 VAL A 54 11.695 0.605 -1.856 1.00 0.00 C ATOM 807 CG2 VAL A 54 11.379 1.153 -4.267 1.00 0.00 C ATOM 0 H VAL A 54 9.682 2.720 -4.551 1.00 0.00 H new ATOM 0 HA VAL A 54 9.193 0.924 -2.388 1.00 0.00 H new ATOM 0 HB VAL A 54 11.701 2.595 -2.699 1.00 0.00 H new ATOM 0 HG11 VAL A 54 12.758 0.442 -2.035 1.00 0.00 H new ATOM 0 HG12 VAL A 54 11.548 0.956 -0.834 1.00 0.00 H new ATOM 0 HG13 VAL A 54 11.155 -0.331 -1.999 1.00 0.00 H new ATOM 0 HG21 VAL A 54 12.443 0.993 -4.442 1.00 0.00 H new ATOM 0 HG22 VAL A 54 10.843 0.214 -4.406 1.00 0.00 H new ATOM 0 HG23 VAL A 54 11.002 1.894 -4.972 1.00 0.00 H new ATOM 817 N GLU A 55 9.392 4.086 -1.592 1.00 0.00 N ATOM 818 CA GLU A 55 9.221 5.018 -0.442 1.00 0.00 C ATOM 819 C GLU A 55 7.787 4.928 0.081 1.00 0.00 C ATOM 820 O GLU A 55 7.531 5.129 1.251 1.00 0.00 O ATOM 821 CB GLU A 55 9.523 6.449 -0.880 1.00 0.00 C ATOM 822 CG GLU A 55 8.374 6.978 -1.729 1.00 0.00 C ATOM 823 CD GLU A 55 7.529 7.949 -0.903 1.00 0.00 C ATOM 824 OE1 GLU A 55 7.099 7.562 0.171 1.00 0.00 O ATOM 825 OE2 GLU A 55 7.325 9.063 -1.357 1.00 0.00 O ATOM 0 H GLU A 55 9.416 4.527 -2.512 1.00 0.00 H new ATOM 0 HA GLU A 55 9.914 4.738 0.352 1.00 0.00 H new ATOM 0 HB2 GLU A 55 9.665 7.085 -0.006 1.00 0.00 H new ATOM 0 HB3 GLU A 55 10.452 6.477 -1.449 1.00 0.00 H new ATOM 0 HG2 GLU A 55 8.764 7.482 -2.613 1.00 0.00 H new ATOM 0 HG3 GLU A 55 7.757 6.151 -2.079 1.00 0.00 H new ATOM 832 N GLU A 56 6.851 4.618 -0.772 1.00 0.00 N ATOM 833 CA GLU A 56 5.440 4.506 -0.313 1.00 0.00 C ATOM 834 C GLU A 56 5.266 3.165 0.395 1.00 0.00 C ATOM 835 O GLU A 56 4.509 3.036 1.338 1.00 0.00 O ATOM 836 CB GLU A 56 4.499 4.577 -1.519 1.00 0.00 C ATOM 837 CG GLU A 56 3.109 5.018 -1.057 1.00 0.00 C ATOM 838 CD GLU A 56 2.239 3.786 -0.803 1.00 0.00 C ATOM 839 OE1 GLU A 56 2.327 2.853 -1.583 1.00 0.00 O ATOM 840 OE2 GLU A 56 1.500 3.797 0.167 1.00 0.00 O ATOM 0 H GLU A 56 7.002 4.438 -1.765 1.00 0.00 H new ATOM 0 HA GLU A 56 5.203 5.323 0.369 1.00 0.00 H new ATOM 0 HB2 GLU A 56 4.888 5.279 -2.257 1.00 0.00 H new ATOM 0 HB3 GLU A 56 4.440 3.603 -2.006 1.00 0.00 H new ATOM 0 HG2 GLU A 56 3.189 5.613 -0.147 1.00 0.00 H new ATOM 0 HG3 GLU A 56 2.647 5.652 -1.814 1.00 0.00 H new ATOM 847 N LEU A 57 5.972 2.163 -0.050 1.00 0.00 N ATOM 848 CA LEU A 57 5.867 0.827 0.592 1.00 0.00 C ATOM 849 C LEU A 57 6.634 0.849 1.916 1.00 0.00 C ATOM 850 O LEU A 57 6.302 0.146 2.849 1.00 0.00 O ATOM 851 CB LEU A 57 6.466 -0.229 -0.337 1.00 0.00 C ATOM 852 CG LEU A 57 6.136 -1.633 0.176 1.00 0.00 C ATOM 853 CD1 LEU A 57 4.682 -1.701 0.649 1.00 0.00 C ATOM 854 CD2 LEU A 57 6.334 -2.634 -0.957 1.00 0.00 C ATOM 0 H LEU A 57 6.620 2.215 -0.836 1.00 0.00 H new ATOM 0 HA LEU A 57 4.821 0.585 0.781 1.00 0.00 H new ATOM 0 HB2 LEU A 57 6.074 -0.101 -1.346 1.00 0.00 H new ATOM 0 HB3 LEU A 57 7.547 -0.100 -0.397 1.00 0.00 H new ATOM 0 HG LEU A 57 6.794 -1.868 1.013 1.00 0.00 H new ATOM 0 HD11 LEU A 57 4.464 -2.706 1.011 1.00 0.00 H new ATOM 0 HD12 LEU A 57 4.528 -0.984 1.455 1.00 0.00 H new ATOM 0 HD13 LEU A 57 4.018 -1.462 -0.181 1.00 0.00 H new ATOM 0 HD21 LEU A 57 6.101 -3.637 -0.601 1.00 0.00 H new ATOM 0 HD22 LEU A 57 5.673 -2.381 -1.786 1.00 0.00 H new ATOM 0 HD23 LEU A 57 7.370 -2.600 -1.295 1.00 0.00 H new ATOM 866 N TYR A 58 7.653 1.663 2.008 1.00 0.00 N ATOM 867 CA TYR A 58 8.431 1.740 3.275 1.00 0.00 C ATOM 868 C TYR A 58 7.637 2.556 4.295 1.00 0.00 C ATOM 869 O TYR A 58 7.511 2.183 5.444 1.00 0.00 O ATOM 870 CB TYR A 58 9.777 2.420 3.010 1.00 0.00 C ATOM 871 CG TYR A 58 10.519 2.591 4.313 1.00 0.00 C ATOM 872 CD1 TYR A 58 11.006 1.469 4.993 1.00 0.00 C ATOM 873 CD2 TYR A 58 10.722 3.872 4.840 1.00 0.00 C ATOM 874 CE1 TYR A 58 11.696 1.627 6.202 1.00 0.00 C ATOM 875 CE2 TYR A 58 11.412 4.031 6.048 1.00 0.00 C ATOM 876 CZ TYR A 58 11.898 2.909 6.729 1.00 0.00 C ATOM 877 OH TYR A 58 12.578 3.065 7.919 1.00 0.00 O ATOM 0 H TYR A 58 7.978 2.276 1.260 1.00 0.00 H new ATOM 0 HA TYR A 58 8.608 0.736 3.662 1.00 0.00 H new ATOM 0 HB2 TYR A 58 10.369 1.821 2.318 1.00 0.00 H new ATOM 0 HB3 TYR A 58 9.620 3.390 2.538 1.00 0.00 H new ATOM 0 HD1 TYR A 58 10.850 0.481 4.586 1.00 0.00 H new ATOM 0 HD2 TYR A 58 10.346 4.738 4.315 1.00 0.00 H new ATOM 0 HE1 TYR A 58 12.072 0.761 6.727 1.00 0.00 H new ATOM 0 HE2 TYR A 58 11.569 5.019 6.454 1.00 0.00 H new ATOM 0 HH TYR A 58 12.632 4.018 8.143 1.00 0.00 H new ATOM 887 N ARG A 59 7.089 3.666 3.877 1.00 0.00 N ATOM 888 CA ARG A 59 6.292 4.504 4.814 1.00 0.00 C ATOM 889 C ARG A 59 5.035 3.735 5.220 1.00 0.00 C ATOM 890 O ARG A 59 4.463 3.962 6.267 1.00 0.00 O ATOM 891 CB ARG A 59 5.885 5.804 4.115 1.00 0.00 C ATOM 892 CG ARG A 59 4.945 6.599 5.020 1.00 0.00 C ATOM 893 CD ARG A 59 3.657 6.907 4.260 1.00 0.00 C ATOM 894 NE ARG A 59 2.526 7.034 5.221 1.00 0.00 N ATOM 895 CZ ARG A 59 2.403 6.183 6.202 1.00 0.00 C ATOM 896 NH1 ARG A 59 1.973 4.974 5.969 1.00 0.00 N ATOM 897 NH2 ARG A 59 2.712 6.541 7.419 1.00 0.00 N ATOM 0 H ARG A 59 7.160 4.027 2.926 1.00 0.00 H new ATOM 0 HA ARG A 59 6.887 4.738 5.697 1.00 0.00 H new ATOM 0 HB2 ARG A 59 6.770 6.396 3.883 1.00 0.00 H new ATOM 0 HB3 ARG A 59 5.393 5.581 3.168 1.00 0.00 H new ATOM 0 HG2 ARG A 59 4.722 6.030 5.922 1.00 0.00 H new ATOM 0 HG3 ARG A 59 5.424 7.525 5.338 1.00 0.00 H new ATOM 0 HD2 ARG A 59 3.770 7.831 3.692 1.00 0.00 H new ATOM 0 HD3 ARG A 59 3.449 6.115 3.541 1.00 0.00 H new ATOM 0 HE ARG A 59 1.847 7.787 5.112 1.00 0.00 H new ATOM 0 HH11 ARG A 59 1.732 4.693 5.019 1.00 0.00 H new ATOM 0 HH12 ARG A 59 1.877 4.310 6.737 1.00 0.00 H new ATOM 0 HH21 ARG A 59 3.049 7.486 7.603 1.00 0.00 H new ATOM 0 HH22 ARG A 59 2.616 5.876 8.186 1.00 0.00 H new ATOM 911 N PHE A 60 4.603 2.823 4.392 1.00 0.00 N ATOM 912 CA PHE A 60 3.386 2.034 4.719 1.00 0.00 C ATOM 913 C PHE A 60 3.801 0.735 5.408 1.00 0.00 C ATOM 914 O PHE A 60 3.086 -0.247 5.391 1.00 0.00 O ATOM 915 CB PHE A 60 2.623 1.717 3.431 1.00 0.00 C ATOM 916 CG PHE A 60 1.720 2.878 3.093 1.00 0.00 C ATOM 917 CD1 PHE A 60 2.271 4.102 2.695 1.00 0.00 C ATOM 918 CD2 PHE A 60 0.331 2.733 3.187 1.00 0.00 C ATOM 919 CE1 PHE A 60 1.433 5.181 2.390 1.00 0.00 C ATOM 920 CE2 PHE A 60 -0.508 3.811 2.880 1.00 0.00 C ATOM 921 CZ PHE A 60 0.043 5.036 2.482 1.00 0.00 C ATOM 0 H PHE A 60 5.043 2.591 3.501 1.00 0.00 H new ATOM 0 HA PHE A 60 2.741 2.608 5.385 1.00 0.00 H new ATOM 0 HB2 PHE A 60 3.322 1.535 2.615 1.00 0.00 H new ATOM 0 HB3 PHE A 60 2.035 0.808 3.556 1.00 0.00 H new ATOM 0 HD1 PHE A 60 3.343 4.214 2.623 1.00 0.00 H new ATOM 0 HD2 PHE A 60 -0.094 1.789 3.496 1.00 0.00 H new ATOM 0 HE1 PHE A 60 1.858 6.125 2.084 1.00 0.00 H new ATOM 0 HE2 PHE A 60 -1.580 3.698 2.950 1.00 0.00 H new ATOM 0 HZ PHE A 60 -0.604 5.868 2.246 1.00 0.00 H new ATOM 931 N ARG A 61 4.955 0.725 6.016 1.00 0.00 N ATOM 932 CA ARG A 61 5.423 -0.505 6.712 1.00 0.00 C ATOM 933 C ARG A 61 4.452 -0.849 7.844 1.00 0.00 C ATOM 934 O ARG A 61 4.163 -2.001 8.099 1.00 0.00 O ATOM 935 CB ARG A 61 6.818 -0.264 7.293 1.00 0.00 C ATOM 936 CG ARG A 61 7.219 -1.452 8.170 1.00 0.00 C ATOM 937 CD ARG A 61 7.356 -2.705 7.303 1.00 0.00 C ATOM 938 NE ARG A 61 7.300 -3.916 8.168 1.00 0.00 N ATOM 939 CZ ARG A 61 8.339 -4.259 8.880 1.00 0.00 C ATOM 940 NH1 ARG A 61 9.538 -4.153 8.376 1.00 0.00 N ATOM 941 NH2 ARG A 61 8.179 -4.706 10.094 1.00 0.00 N ATOM 0 H ARG A 61 5.595 1.518 6.061 1.00 0.00 H new ATOM 0 HA ARG A 61 5.463 -1.331 6.002 1.00 0.00 H new ATOM 0 HB2 ARG A 61 7.541 -0.133 6.488 1.00 0.00 H new ATOM 0 HB3 ARG A 61 6.825 0.654 7.881 1.00 0.00 H new ATOM 0 HG2 ARG A 61 8.162 -1.242 8.676 1.00 0.00 H new ATOM 0 HG3 ARG A 61 6.470 -1.614 8.946 1.00 0.00 H new ATOM 0 HD2 ARG A 61 6.557 -2.737 6.562 1.00 0.00 H new ATOM 0 HD3 ARG A 61 8.298 -2.680 6.755 1.00 0.00 H new ATOM 0 HE ARG A 61 6.449 -4.478 8.204 1.00 0.00 H new ATOM 0 HH11 ARG A 61 9.663 -3.802 7.426 1.00 0.00 H new ATOM 0 HH12 ARG A 61 10.350 -4.421 8.932 1.00 0.00 H new ATOM 0 HH21 ARG A 61 7.242 -4.788 10.488 1.00 0.00 H new ATOM 0 HH22 ARG A 61 8.991 -4.974 10.650 1.00 0.00 H new ATOM 955 N ASP A 62 3.943 0.144 8.523 1.00 0.00 N ATOM 956 CA ASP A 62 2.989 -0.125 9.637 1.00 0.00 C ATOM 957 C ASP A 62 1.703 -0.729 9.068 1.00 0.00 C ATOM 958 O ASP A 62 0.925 -1.337 9.775 1.00 0.00 O ATOM 959 CB ASP A 62 2.662 1.184 10.359 1.00 0.00 C ATOM 960 CG ASP A 62 2.309 2.260 9.330 1.00 0.00 C ATOM 961 OD1 ASP A 62 2.111 1.908 8.179 1.00 0.00 O ATOM 962 OD2 ASP A 62 2.242 3.417 9.711 1.00 0.00 O ATOM 0 H ASP A 62 4.147 1.129 8.354 1.00 0.00 H new ATOM 0 HA ASP A 62 3.440 -0.823 10.342 1.00 0.00 H new ATOM 0 HB2 ASP A 62 1.828 1.035 11.045 1.00 0.00 H new ATOM 0 HB3 ASP A 62 3.515 1.504 10.958 1.00 0.00 H new ATOM 967 N ARG A 63 1.480 -0.569 7.793 1.00 0.00 N ATOM 968 CA ARG A 63 0.250 -1.136 7.172 1.00 0.00 C ATOM 969 C ARG A 63 0.654 -2.163 6.115 1.00 0.00 C ATOM 970 O ARG A 63 -0.124 -2.530 5.257 1.00 0.00 O ATOM 971 CB ARG A 63 -0.555 -0.014 6.513 1.00 0.00 C ATOM 972 CG ARG A 63 -1.776 0.313 7.374 1.00 0.00 C ATOM 973 CD ARG A 63 -2.729 1.218 6.588 1.00 0.00 C ATOM 974 NE ARG A 63 -3.386 2.176 7.520 1.00 0.00 N ATOM 975 CZ ARG A 63 -4.688 2.208 7.612 1.00 0.00 C ATOM 976 NH1 ARG A 63 -5.377 1.104 7.506 1.00 0.00 N ATOM 977 NH2 ARG A 63 -5.300 3.343 7.810 1.00 0.00 N ATOM 0 H ARG A 63 2.097 -0.069 7.153 1.00 0.00 H new ATOM 0 HA ARG A 63 -0.361 -1.615 7.937 1.00 0.00 H new ATOM 0 HB2 ARG A 63 0.067 0.873 6.394 1.00 0.00 H new ATOM 0 HB3 ARG A 63 -0.871 -0.317 5.515 1.00 0.00 H new ATOM 0 HG2 ARG A 63 -2.286 -0.606 7.664 1.00 0.00 H new ATOM 0 HG3 ARG A 63 -1.464 0.808 8.294 1.00 0.00 H new ATOM 0 HD2 ARG A 63 -2.180 1.761 5.819 1.00 0.00 H new ATOM 0 HD3 ARG A 63 -3.481 0.616 6.078 1.00 0.00 H new ATOM 0 HE ARG A 63 -2.819 2.807 8.086 1.00 0.00 H new ATOM 0 HH11 ARG A 63 -4.898 0.217 7.351 1.00 0.00 H new ATOM 0 HH12 ARG A 63 -6.394 1.129 7.578 1.00 0.00 H new ATOM 0 HH21 ARG A 63 -4.761 4.205 7.893 1.00 0.00 H new ATOM 0 HH22 ARG A 63 -6.317 3.368 7.882 1.00 0.00 H new ATOM 991 N LEU A 64 1.874 -2.622 6.169 1.00 0.00 N ATOM 992 CA LEU A 64 2.347 -3.622 5.171 1.00 0.00 C ATOM 993 C LEU A 64 2.253 -5.030 5.772 1.00 0.00 C ATOM 994 O LEU A 64 3.016 -5.367 6.656 1.00 0.00 O ATOM 995 CB LEU A 64 3.807 -3.327 4.824 1.00 0.00 C ATOM 996 CG LEU A 64 3.961 -3.159 3.312 1.00 0.00 C ATOM 997 CD1 LEU A 64 5.442 -3.246 2.947 1.00 0.00 C ATOM 998 CD2 LEU A 64 3.196 -4.269 2.588 1.00 0.00 C ATOM 0 H LEU A 64 2.567 -2.346 6.865 1.00 0.00 H new ATOM 0 HA LEU A 64 1.729 -3.564 4.275 1.00 0.00 H new ATOM 0 HB2 LEU A 64 4.135 -2.421 5.334 1.00 0.00 H new ATOM 0 HB3 LEU A 64 4.444 -4.139 5.175 1.00 0.00 H new ATOM 0 HG LEU A 64 3.561 -2.191 3.012 1.00 0.00 H new ATOM 0 HD11 LEU A 64 5.559 -3.127 1.870 1.00 0.00 H new ATOM 0 HD12 LEU A 64 5.990 -2.457 3.461 1.00 0.00 H new ATOM 0 HD13 LEU A 64 5.835 -4.217 3.249 1.00 0.00 H new ATOM 0 HD21 LEU A 64 3.308 -4.145 1.511 1.00 0.00 H new ATOM 0 HD22 LEU A 64 3.594 -5.239 2.886 1.00 0.00 H new ATOM 0 HD23 LEU A 64 2.140 -4.214 2.851 1.00 0.00 H new ATOM 1010 N PRO A 65 1.329 -5.816 5.277 1.00 0.00 N ATOM 1011 CA PRO A 65 1.148 -7.173 5.763 1.00 0.00 C ATOM 1012 C PRO A 65 2.495 -7.907 5.775 1.00 0.00 C ATOM 1013 O PRO A 65 3.097 -8.090 6.814 1.00 0.00 O ATOM 1014 CB PRO A 65 0.172 -7.810 4.776 1.00 0.00 C ATOM 1015 CG PRO A 65 -0.601 -6.587 4.190 1.00 0.00 C ATOM 1016 CD PRO A 65 0.407 -5.402 4.209 1.00 0.00 C ATOM 0 HA PRO A 65 0.767 -7.213 6.783 1.00 0.00 H new ATOM 0 HB2 PRO A 65 0.694 -8.366 3.997 1.00 0.00 H new ATOM 0 HB3 PRO A 65 -0.500 -8.510 5.271 1.00 0.00 H new ATOM 0 HG2 PRO A 65 -0.946 -6.791 3.176 1.00 0.00 H new ATOM 0 HG3 PRO A 65 -1.484 -6.359 4.787 1.00 0.00 H new ATOM 0 HD2 PRO A 65 0.916 -5.281 3.253 1.00 0.00 H new ATOM 0 HD3 PRO A 65 -0.080 -4.453 4.433 1.00 0.00 H new ATOM 1024 N GLU A 66 2.974 -8.320 4.632 1.00 0.00 N ATOM 1025 CA GLU A 66 4.275 -9.037 4.577 1.00 0.00 C ATOM 1026 C GLU A 66 4.534 -9.507 3.144 1.00 0.00 C ATOM 1027 O GLU A 66 5.660 -9.643 2.716 1.00 0.00 O ATOM 1028 CB GLU A 66 4.216 -10.256 5.492 1.00 0.00 C ATOM 1029 CG GLU A 66 5.632 -10.645 5.925 1.00 0.00 C ATOM 1030 CD GLU A 66 5.646 -12.107 6.373 1.00 0.00 C ATOM 1031 OE1 GLU A 66 4.981 -12.908 5.736 1.00 0.00 O ATOM 1032 OE2 GLU A 66 6.323 -12.402 7.344 1.00 0.00 O ATOM 0 H GLU A 66 2.515 -8.189 3.730 1.00 0.00 H new ATOM 0 HA GLU A 66 5.073 -8.368 4.898 1.00 0.00 H new ATOM 0 HB2 GLU A 66 3.605 -10.036 6.368 1.00 0.00 H new ATOM 0 HB3 GLU A 66 3.742 -11.089 4.973 1.00 0.00 H new ATOM 0 HG2 GLU A 66 6.329 -10.500 5.099 1.00 0.00 H new ATOM 0 HG3 GLU A 66 5.964 -10.001 6.739 1.00 0.00 H new ATOM 1039 N LYS A 67 3.495 -9.760 2.399 1.00 0.00 N ATOM 1040 CA LYS A 67 3.665 -10.230 1.001 1.00 0.00 C ATOM 1041 C LYS A 67 4.459 -9.213 0.169 1.00 0.00 C ATOM 1042 O LYS A 67 4.801 -9.474 -0.968 1.00 0.00 O ATOM 1043 CB LYS A 67 2.282 -10.422 0.384 1.00 0.00 C ATOM 1044 CG LYS A 67 1.349 -9.301 0.843 1.00 0.00 C ATOM 1045 CD LYS A 67 0.218 -9.129 -0.173 1.00 0.00 C ATOM 1046 CE LYS A 67 -0.780 -10.280 -0.026 1.00 0.00 C ATOM 1047 NZ LYS A 67 -0.719 -11.146 -1.237 1.00 0.00 N ATOM 0 H LYS A 67 2.527 -9.660 2.704 1.00 0.00 H new ATOM 0 HA LYS A 67 4.219 -11.169 1.006 1.00 0.00 H new ATOM 0 HB2 LYS A 67 2.356 -10.423 -0.703 1.00 0.00 H new ATOM 0 HB3 LYS A 67 1.874 -11.390 0.677 1.00 0.00 H new ATOM 0 HG2 LYS A 67 0.937 -9.535 1.825 1.00 0.00 H new ATOM 0 HG3 LYS A 67 1.905 -8.369 0.945 1.00 0.00 H new ATOM 0 HD2 LYS A 67 -0.285 -8.175 -0.015 1.00 0.00 H new ATOM 0 HD3 LYS A 67 0.623 -9.112 -1.185 1.00 0.00 H new ATOM 0 HE2 LYS A 67 -0.549 -10.865 0.865 1.00 0.00 H new ATOM 0 HE3 LYS A 67 -1.789 -9.887 0.103 1.00 0.00 H new ATOM 0 HZ1 LYS A 67 -1.397 -11.929 -1.139 1.00 0.00 H new ATOM 0 HZ2 LYS A 67 -0.959 -10.584 -2.078 1.00 0.00 H new ATOM 0 HZ3 LYS A 67 0.242 -11.531 -1.341 1.00 0.00 H new ATOM 1061 N LEU A 68 4.755 -8.058 0.705 1.00 0.00 N ATOM 1062 CA LEU A 68 5.519 -7.051 -0.089 1.00 0.00 C ATOM 1063 C LEU A 68 6.644 -6.458 0.763 1.00 0.00 C ATOM 1064 O LEU A 68 7.311 -5.529 0.359 1.00 0.00 O ATOM 1065 CB LEU A 68 4.587 -5.923 -0.542 1.00 0.00 C ATOM 1066 CG LEU A 68 3.158 -6.450 -0.684 1.00 0.00 C ATOM 1067 CD1 LEU A 68 2.353 -6.073 0.559 1.00 0.00 C ATOM 1068 CD2 LEU A 68 2.510 -5.828 -1.923 1.00 0.00 C ATOM 0 H LEU A 68 4.503 -7.770 1.651 1.00 0.00 H new ATOM 0 HA LEU A 68 5.944 -7.546 -0.962 1.00 0.00 H new ATOM 0 HB2 LEU A 68 4.612 -5.107 0.180 1.00 0.00 H new ATOM 0 HB3 LEU A 68 4.930 -5.517 -1.494 1.00 0.00 H new ATOM 0 HG LEU A 68 3.175 -7.535 -0.789 1.00 0.00 H new ATOM 0 HD11 LEU A 68 1.334 -6.448 0.460 1.00 0.00 H new ATOM 0 HD12 LEU A 68 2.818 -6.514 1.441 1.00 0.00 H new ATOM 0 HD13 LEU A 68 2.332 -4.988 0.664 1.00 0.00 H new ATOM 0 HD21 LEU A 68 1.491 -6.202 -2.027 1.00 0.00 H new ATOM 0 HD22 LEU A 68 2.490 -4.743 -1.817 1.00 0.00 H new ATOM 0 HD23 LEU A 68 3.087 -6.095 -2.808 1.00 0.00 H new ATOM 1080 N ARG A 69 6.862 -6.984 1.936 1.00 0.00 N ATOM 1081 CA ARG A 69 7.945 -6.444 2.804 1.00 0.00 C ATOM 1082 C ARG A 69 9.262 -6.430 2.022 1.00 0.00 C ATOM 1083 O ARG A 69 9.907 -5.408 1.892 1.00 0.00 O ATOM 1084 CB ARG A 69 8.097 -7.330 4.043 1.00 0.00 C ATOM 1085 CG ARG A 69 8.934 -6.598 5.093 1.00 0.00 C ATOM 1086 CD ARG A 69 8.008 -5.969 6.137 1.00 0.00 C ATOM 1087 NE ARG A 69 7.660 -6.987 7.169 1.00 0.00 N ATOM 1088 CZ ARG A 69 6.509 -6.928 7.781 1.00 0.00 C ATOM 1089 NH1 ARG A 69 5.415 -6.726 7.097 1.00 0.00 N ATOM 1090 NH2 ARG A 69 6.451 -7.071 9.077 1.00 0.00 N ATOM 0 H ARG A 69 6.337 -7.764 2.331 1.00 0.00 H new ATOM 0 HA ARG A 69 7.693 -5.430 3.113 1.00 0.00 H new ATOM 0 HB2 ARG A 69 7.116 -7.575 4.450 1.00 0.00 H new ATOM 0 HB3 ARG A 69 8.575 -8.272 3.773 1.00 0.00 H new ATOM 0 HG2 ARG A 69 9.622 -7.293 5.574 1.00 0.00 H new ATOM 0 HG3 ARG A 69 9.540 -5.827 4.617 1.00 0.00 H new ATOM 0 HD2 ARG A 69 8.497 -5.114 6.604 1.00 0.00 H new ATOM 0 HD3 ARG A 69 7.102 -5.596 5.658 1.00 0.00 H new ATOM 0 HE ARG A 69 8.321 -7.729 7.397 1.00 0.00 H new ATOM 0 HH11 ARG A 69 5.460 -6.614 6.084 1.00 0.00 H new ATOM 0 HH12 ARG A 69 4.515 -6.680 7.576 1.00 0.00 H new ATOM 0 HH21 ARG A 69 7.305 -7.229 9.611 1.00 0.00 H new ATOM 0 HH22 ARG A 69 5.551 -7.025 9.555 1.00 0.00 H new ATOM 1104 N TYR A 70 9.665 -7.556 1.500 1.00 0.00 N ATOM 1105 CA TYR A 70 10.936 -7.606 0.725 1.00 0.00 C ATOM 1106 C TYR A 70 10.980 -6.430 -0.254 1.00 0.00 C ATOM 1107 O TYR A 70 12.033 -5.908 -0.571 1.00 0.00 O ATOM 1108 CB TYR A 70 11.007 -8.924 -0.050 1.00 0.00 C ATOM 1109 CG TYR A 70 9.726 -9.122 -0.823 1.00 0.00 C ATOM 1110 CD1 TYR A 70 8.643 -9.778 -0.226 1.00 0.00 C ATOM 1111 CD2 TYR A 70 9.622 -8.651 -2.137 1.00 0.00 C ATOM 1112 CE1 TYR A 70 7.455 -9.963 -0.944 1.00 0.00 C ATOM 1113 CE2 TYR A 70 8.433 -8.835 -2.855 1.00 0.00 C ATOM 1114 CZ TYR A 70 7.351 -9.490 -2.258 1.00 0.00 C ATOM 1115 OH TYR A 70 6.179 -9.672 -2.965 1.00 0.00 O ATOM 0 H TYR A 70 9.168 -8.444 1.577 1.00 0.00 H new ATOM 0 HA TYR A 70 11.784 -7.541 1.407 1.00 0.00 H new ATOM 0 HB2 TYR A 70 11.858 -8.912 -0.732 1.00 0.00 H new ATOM 0 HB3 TYR A 70 11.161 -9.755 0.638 1.00 0.00 H new ATOM 0 HD1 TYR A 70 8.724 -10.141 0.788 1.00 0.00 H new ATOM 0 HD2 TYR A 70 10.458 -8.146 -2.597 1.00 0.00 H new ATOM 0 HE1 TYR A 70 6.619 -10.470 -0.485 1.00 0.00 H new ATOM 0 HE2 TYR A 70 8.352 -8.471 -3.869 1.00 0.00 H new ATOM 0 HH TYR A 70 5.484 -10.013 -2.364 1.00 0.00 H new ATOM 1125 N LEU A 71 9.841 -6.007 -0.734 1.00 0.00 N ATOM 1126 CA LEU A 71 9.809 -4.861 -1.686 1.00 0.00 C ATOM 1127 C LEU A 71 10.049 -3.566 -0.912 1.00 0.00 C ATOM 1128 O LEU A 71 10.783 -2.698 -1.343 1.00 0.00 O ATOM 1129 CB LEU A 71 8.441 -4.804 -2.371 1.00 0.00 C ATOM 1130 CG LEU A 71 8.533 -5.455 -3.750 1.00 0.00 C ATOM 1131 CD1 LEU A 71 7.253 -6.246 -4.030 1.00 0.00 C ATOM 1132 CD2 LEU A 71 8.699 -4.364 -4.807 1.00 0.00 C ATOM 0 H LEU A 71 8.931 -6.407 -0.507 1.00 0.00 H new ATOM 0 HA LEU A 71 10.584 -4.987 -2.442 1.00 0.00 H new ATOM 0 HB2 LEU A 71 7.697 -5.319 -1.763 1.00 0.00 H new ATOM 0 HB3 LEU A 71 8.114 -3.769 -2.467 1.00 0.00 H new ATOM 0 HG LEU A 71 9.388 -6.131 -3.780 1.00 0.00 H new ATOM 0 HD11 LEU A 71 7.320 -6.710 -5.014 1.00 0.00 H new ATOM 0 HD12 LEU A 71 7.130 -7.019 -3.272 1.00 0.00 H new ATOM 0 HD13 LEU A 71 6.396 -5.573 -4.004 1.00 0.00 H new ATOM 0 HD21 LEU A 71 8.765 -4.821 -5.794 1.00 0.00 H new ATOM 0 HD22 LEU A 71 7.841 -3.693 -4.775 1.00 0.00 H new ATOM 0 HD23 LEU A 71 9.609 -3.799 -4.607 1.00 0.00 H new ATOM 1144 N ALA A 72 9.444 -3.435 0.236 1.00 0.00 N ATOM 1145 CA ALA A 72 9.643 -2.205 1.049 1.00 0.00 C ATOM 1146 C ALA A 72 11.096 -2.147 1.521 1.00 0.00 C ATOM 1147 O ALA A 72 11.548 -1.152 2.052 1.00 0.00 O ATOM 1148 CB ALA A 72 8.711 -2.242 2.263 1.00 0.00 C ATOM 0 H ALA A 72 8.819 -4.129 0.646 1.00 0.00 H new ATOM 0 HA ALA A 72 9.418 -1.324 0.448 1.00 0.00 H new ATOM 0 HB1 ALA A 72 8.855 -1.342 2.860 1.00 0.00 H new ATOM 0 HB2 ALA A 72 7.676 -2.292 1.926 1.00 0.00 H new ATOM 0 HB3 ALA A 72 8.937 -3.119 2.869 1.00 0.00 H new ATOM 1154 N ASP A 73 11.832 -3.209 1.332 1.00 0.00 N ATOM 1155 CA ASP A 73 13.256 -3.220 1.768 1.00 0.00 C ATOM 1156 C ASP A 73 14.144 -2.758 0.612 1.00 0.00 C ATOM 1157 O ASP A 73 15.198 -2.189 0.816 1.00 0.00 O ATOM 1158 CB ASP A 73 13.652 -4.638 2.181 1.00 0.00 C ATOM 1159 CG ASP A 73 13.662 -4.743 3.707 1.00 0.00 C ATOM 1160 OD1 ASP A 73 13.328 -3.762 4.350 1.00 0.00 O ATOM 1161 OD2 ASP A 73 14.003 -5.803 4.207 1.00 0.00 O ATOM 0 H ASP A 73 11.507 -4.071 0.893 1.00 0.00 H new ATOM 0 HA ASP A 73 13.383 -2.547 2.616 1.00 0.00 H new ATOM 0 HB2 ASP A 73 12.951 -5.359 1.761 1.00 0.00 H new ATOM 0 HB3 ASP A 73 14.637 -4.882 1.783 1.00 0.00 H new ATOM 1166 N ALA A 74 13.728 -2.998 -0.602 1.00 0.00 N ATOM 1167 CA ALA A 74 14.549 -2.572 -1.768 1.00 0.00 C ATOM 1168 C ALA A 74 14.882 -1.083 -1.640 1.00 0.00 C ATOM 1169 O ALA A 74 14.235 -0.367 -0.902 1.00 0.00 O ATOM 1170 CB ALA A 74 13.764 -2.810 -3.059 1.00 0.00 C ATOM 0 H ALA A 74 12.855 -3.471 -0.835 1.00 0.00 H new ATOM 0 HA ALA A 74 15.473 -3.150 -1.793 1.00 0.00 H new ATOM 0 HB1 ALA A 74 14.365 -2.498 -3.913 1.00 0.00 H new ATOM 0 HB2 ALA A 74 13.526 -3.870 -3.150 1.00 0.00 H new ATOM 0 HB3 ALA A 74 12.840 -2.232 -3.035 1.00 0.00 H new ATOM 1176 N PRO A 75 15.886 -0.660 -2.366 1.00 0.00 N ATOM 1177 CA PRO A 75 16.318 0.729 -2.351 1.00 0.00 C ATOM 1178 C PRO A 75 15.119 1.661 -2.550 1.00 0.00 C ATOM 1179 O PRO A 75 14.014 1.220 -2.798 1.00 0.00 O ATOM 1180 CB PRO A 75 17.291 0.838 -3.520 1.00 0.00 C ATOM 1181 CG PRO A 75 17.824 -0.619 -3.686 1.00 0.00 C ATOM 1182 CD PRO A 75 16.653 -1.548 -3.254 1.00 0.00 C ATOM 0 HA PRO A 75 16.779 1.016 -1.406 1.00 0.00 H new ATOM 0 HB2 PRO A 75 16.794 1.189 -4.424 1.00 0.00 H new ATOM 0 HB3 PRO A 75 18.098 1.539 -3.307 1.00 0.00 H new ATOM 0 HG2 PRO A 75 18.118 -0.813 -4.718 1.00 0.00 H new ATOM 0 HG3 PRO A 75 18.705 -0.786 -3.067 1.00 0.00 H new ATOM 0 HD2 PRO A 75 16.062 -1.886 -4.105 1.00 0.00 H new ATOM 0 HD3 PRO A 75 17.006 -2.440 -2.737 1.00 0.00 H new ATOM 1190 N GLN A 76 15.327 2.944 -2.441 1.00 0.00 N ATOM 1191 CA GLN A 76 14.198 3.899 -2.620 1.00 0.00 C ATOM 1192 C GLN A 76 14.713 5.190 -3.267 1.00 0.00 C ATOM 1193 O GLN A 76 14.140 6.246 -3.100 1.00 0.00 O ATOM 1194 CB GLN A 76 13.587 4.225 -1.256 1.00 0.00 C ATOM 1195 CG GLN A 76 12.394 5.165 -1.439 1.00 0.00 C ATOM 1196 CD GLN A 76 12.633 6.454 -0.650 1.00 0.00 C ATOM 1197 OE1 GLN A 76 12.657 7.530 -1.214 1.00 0.00 O ATOM 1198 NE2 GLN A 76 12.812 6.390 0.640 1.00 0.00 N ATOM 0 H GLN A 76 16.230 3.372 -2.236 1.00 0.00 H new ATOM 0 HA GLN A 76 13.442 3.448 -3.262 1.00 0.00 H new ATOM 0 HB2 GLN A 76 13.268 3.308 -0.761 1.00 0.00 H new ATOM 0 HB3 GLN A 76 14.334 4.691 -0.613 1.00 0.00 H new ATOM 0 HG2 GLN A 76 12.256 5.393 -2.496 1.00 0.00 H new ATOM 0 HG3 GLN A 76 11.480 4.680 -1.096 1.00 0.00 H new ATOM 0 HE21 GLN A 76 12.792 5.487 1.113 1.00 0.00 H new ATOM 0 HE22 GLN A 76 12.972 7.243 1.176 1.00 0.00 H new ATOM 1207 N GLN A 77 15.785 5.111 -4.010 1.00 0.00 N ATOM 1208 CA GLN A 77 16.333 6.335 -4.667 1.00 0.00 C ATOM 1209 C GLN A 77 17.700 6.027 -5.282 1.00 0.00 C ATOM 1210 O GLN A 77 18.132 6.690 -6.201 1.00 0.00 O ATOM 1211 CB GLN A 77 16.500 7.461 -3.638 1.00 0.00 C ATOM 1212 CG GLN A 77 17.029 6.892 -2.317 1.00 0.00 C ATOM 1213 CD GLN A 77 16.581 7.787 -1.161 1.00 0.00 C ATOM 1214 OE1 GLN A 77 15.445 7.726 -0.735 1.00 0.00 O ATOM 1215 NE2 GLN A 77 17.432 8.623 -0.631 1.00 0.00 N ATOM 0 H GLN A 77 16.305 4.252 -4.191 1.00 0.00 H new ATOM 0 HA GLN A 77 15.636 6.650 -5.444 1.00 0.00 H new ATOM 0 HB2 GLN A 77 17.189 8.214 -4.020 1.00 0.00 H new ATOM 0 HB3 GLN A 77 15.544 7.958 -3.472 1.00 0.00 H new ATOM 0 HG2 GLN A 77 16.658 5.878 -2.171 1.00 0.00 H new ATOM 0 HG3 GLN A 77 18.117 6.832 -2.344 1.00 0.00 H new ATOM 0 HE21 GLN A 77 18.386 8.675 -0.988 1.00 0.00 H new ATOM 0 HE22 GLN A 77 17.143 9.225 0.140 1.00 0.00 H new ATOM 1224 N ASP A 78 18.393 5.041 -4.774 1.00 0.00 N ATOM 1225 CA ASP A 78 19.739 4.715 -5.327 1.00 0.00 C ATOM 1226 C ASP A 78 20.745 5.732 -4.768 1.00 0.00 C ATOM 1227 O ASP A 78 20.352 6.675 -4.110 1.00 0.00 O ATOM 1228 CB ASP A 78 19.676 4.753 -6.873 1.00 0.00 C ATOM 1229 CG ASP A 78 20.296 6.043 -7.437 1.00 0.00 C ATOM 1230 OD1 ASP A 78 21.497 6.209 -7.308 1.00 0.00 O ATOM 1231 OD2 ASP A 78 19.559 6.831 -8.005 1.00 0.00 O ATOM 0 H ASP A 78 18.085 4.449 -4.002 1.00 0.00 H new ATOM 0 HA ASP A 78 20.058 3.714 -5.035 1.00 0.00 H new ATOM 0 HB2 ASP A 78 20.201 3.889 -7.280 1.00 0.00 H new ATOM 0 HB3 ASP A 78 18.638 4.677 -7.197 1.00 0.00 H new ATOM 1236 N PRO A 79 22.008 5.517 -5.035 1.00 0.00 N ATOM 1237 CA PRO A 79 23.061 6.413 -4.556 1.00 0.00 C ATOM 1238 C PRO A 79 23.021 7.792 -5.250 1.00 0.00 C ATOM 1239 O PRO A 79 23.998 8.513 -5.250 1.00 0.00 O ATOM 1240 CB PRO A 79 24.359 5.683 -4.889 1.00 0.00 C ATOM 1241 CG PRO A 79 23.963 4.746 -6.071 1.00 0.00 C ATOM 1242 CD PRO A 79 22.477 4.363 -5.820 1.00 0.00 C ATOM 0 HA PRO A 79 22.949 6.624 -3.493 1.00 0.00 H new ATOM 0 HB2 PRO A 79 25.147 6.379 -5.176 1.00 0.00 H new ATOM 0 HB3 PRO A 79 24.730 5.116 -4.035 1.00 0.00 H new ATOM 0 HG2 PRO A 79 24.081 5.252 -7.029 1.00 0.00 H new ATOM 0 HG3 PRO A 79 24.597 3.860 -6.098 1.00 0.00 H new ATOM 0 HD2 PRO A 79 21.921 4.245 -6.750 1.00 0.00 H new ATOM 0 HD3 PRO A 79 22.381 3.426 -5.271 1.00 0.00 H new ATOM 1250 N GLU A 80 21.911 8.175 -5.830 1.00 0.00 N ATOM 1251 CA GLU A 80 21.834 9.499 -6.497 1.00 0.00 C ATOM 1252 C GLU A 80 20.784 10.352 -5.780 1.00 0.00 C ATOM 1253 O GLU A 80 21.015 11.498 -5.451 1.00 0.00 O ATOM 1254 CB GLU A 80 21.416 9.292 -7.949 1.00 0.00 C ATOM 1255 CG GLU A 80 21.786 10.527 -8.773 1.00 0.00 C ATOM 1256 CD GLU A 80 21.464 10.274 -10.247 1.00 0.00 C ATOM 1257 OE1 GLU A 80 20.292 10.282 -10.587 1.00 0.00 O ATOM 1258 OE2 GLU A 80 22.394 10.077 -11.011 1.00 0.00 O ATOM 0 H GLU A 80 21.055 7.622 -5.867 1.00 0.00 H new ATOM 0 HA GLU A 80 22.801 10.000 -6.460 1.00 0.00 H new ATOM 0 HB2 GLU A 80 21.909 8.410 -8.357 1.00 0.00 H new ATOM 0 HB3 GLU A 80 20.342 9.113 -8.006 1.00 0.00 H new ATOM 0 HG2 GLU A 80 21.234 11.396 -8.413 1.00 0.00 H new ATOM 0 HG3 GLU A 80 22.846 10.752 -8.655 1.00 0.00 H new ATOM 1265 N GLY A 81 19.629 9.792 -5.532 1.00 0.00 N ATOM 1266 CA GLY A 81 18.556 10.555 -4.832 1.00 0.00 C ATOM 1267 C GLY A 81 17.220 10.317 -5.536 1.00 0.00 C ATOM 1268 O GLY A 81 16.213 10.066 -4.903 1.00 0.00 O ATOM 0 H GLY A 81 19.383 8.835 -5.786 1.00 0.00 H new ATOM 0 HA2 GLY A 81 18.492 10.240 -3.790 1.00 0.00 H new ATOM 0 HA3 GLY A 81 18.794 11.619 -4.830 1.00 0.00 H new ATOM 1272 N ASN A 82 17.203 10.387 -6.839 1.00 0.00 N ATOM 1273 CA ASN A 82 15.929 10.158 -7.577 1.00 0.00 C ATOM 1274 C ASN A 82 15.230 8.935 -6.986 1.00 0.00 C ATOM 1275 O ASN A 82 15.539 7.809 -7.325 1.00 0.00 O ATOM 1276 CB ASN A 82 16.230 9.911 -9.057 1.00 0.00 C ATOM 1277 CG ASN A 82 17.515 9.092 -9.187 1.00 0.00 C ATOM 1278 OD1 ASN A 82 18.004 8.551 -8.215 1.00 0.00 O ATOM 1279 ND2 ASN A 82 18.087 8.979 -10.354 1.00 0.00 N ATOM 0 H ASN A 82 18.014 10.592 -7.423 1.00 0.00 H new ATOM 0 HA ASN A 82 15.286 11.033 -7.485 1.00 0.00 H new ATOM 0 HB2 ASN A 82 15.400 9.381 -9.524 1.00 0.00 H new ATOM 0 HB3 ASN A 82 16.337 10.861 -9.581 1.00 0.00 H new ATOM 0 HD21 ASN A 82 18.945 8.436 -10.451 1.00 0.00 H new ATOM 0 HD22 ASN A 82 17.676 9.433 -11.170 1.00 0.00 H new ATOM 1286 N LYS A 83 14.301 9.144 -6.094 1.00 0.00 N ATOM 1287 CA LYS A 83 13.597 7.991 -5.470 1.00 0.00 C ATOM 1288 C LYS A 83 13.256 6.954 -6.536 1.00 0.00 C ATOM 1289 O LYS A 83 12.938 7.281 -7.661 1.00 0.00 O ATOM 1290 CB LYS A 83 12.314 8.468 -4.801 1.00 0.00 C ATOM 1291 CG LYS A 83 12.667 9.144 -3.478 1.00 0.00 C ATOM 1292 CD LYS A 83 12.601 10.662 -3.648 1.00 0.00 C ATOM 1293 CE LYS A 83 11.507 11.230 -2.743 1.00 0.00 C ATOM 1294 NZ LYS A 83 11.090 12.569 -3.249 1.00 0.00 N ATOM 0 H LYS A 83 14.000 10.063 -5.771 1.00 0.00 H new ATOM 0 HA LYS A 83 14.250 7.541 -4.722 1.00 0.00 H new ATOM 0 HB2 LYS A 83 11.787 9.166 -5.452 1.00 0.00 H new ATOM 0 HB3 LYS A 83 11.644 7.626 -4.627 1.00 0.00 H new ATOM 0 HG2 LYS A 83 11.976 8.824 -2.698 1.00 0.00 H new ATOM 0 HG3 LYS A 83 13.666 8.846 -3.160 1.00 0.00 H new ATOM 0 HD2 LYS A 83 13.563 11.109 -3.397 1.00 0.00 H new ATOM 0 HD3 LYS A 83 12.394 10.913 -4.688 1.00 0.00 H new ATOM 0 HE2 LYS A 83 10.651 10.555 -2.721 1.00 0.00 H new ATOM 0 HE3 LYS A 83 11.873 11.314 -1.720 1.00 0.00 H new ATOM 0 HZ1 LYS A 83 10.346 12.956 -2.634 1.00 0.00 H new ATOM 0 HZ2 LYS A 83 11.908 13.211 -3.248 1.00 0.00 H new ATOM 0 HZ3 LYS A 83 10.724 12.475 -4.218 1.00 0.00 H new ATOM 1308 N THR A 84 13.316 5.704 -6.183 1.00 0.00 N ATOM 1309 CA THR A 84 12.992 4.635 -7.168 1.00 0.00 C ATOM 1310 C THR A 84 11.667 3.985 -6.784 1.00 0.00 C ATOM 1311 O THR A 84 11.296 3.942 -5.627 1.00 0.00 O ATOM 1312 CB THR A 84 14.097 3.573 -7.175 1.00 0.00 C ATOM 1313 OG1 THR A 84 13.684 2.470 -7.968 1.00 0.00 O ATOM 1314 CG2 THR A 84 14.368 3.097 -5.748 1.00 0.00 C ATOM 0 H THR A 84 13.576 5.374 -5.254 1.00 0.00 H new ATOM 0 HA THR A 84 12.916 5.074 -8.163 1.00 0.00 H new ATOM 0 HB THR A 84 15.008 4.005 -7.589 1.00 0.00 H new ATOM 0 HG1 THR A 84 14.473 2.007 -8.320 1.00 0.00 H new ATOM 0 HG21 THR A 84 15.154 2.342 -5.759 1.00 0.00 H new ATOM 0 HG22 THR A 84 14.685 3.942 -5.137 1.00 0.00 H new ATOM 0 HG23 THR A 84 13.458 2.667 -5.329 1.00 0.00 H new ATOM 1322 N MET A 85 10.945 3.478 -7.741 1.00 0.00 N ATOM 1323 CA MET A 85 9.646 2.838 -7.414 1.00 0.00 C ATOM 1324 C MET A 85 9.710 1.345 -7.723 1.00 0.00 C ATOM 1325 O MET A 85 10.671 0.855 -8.284 1.00 0.00 O ATOM 1326 CB MET A 85 8.524 3.494 -8.232 1.00 0.00 C ATOM 1327 CG MET A 85 8.519 2.944 -9.658 1.00 0.00 C ATOM 1328 SD MET A 85 6.976 3.413 -10.470 1.00 0.00 S ATOM 1329 CE MET A 85 5.978 2.085 -9.761 1.00 0.00 C ATOM 0 H MET A 85 11.197 3.479 -8.729 1.00 0.00 H new ATOM 0 HA MET A 85 9.439 2.971 -6.352 1.00 0.00 H new ATOM 0 HB2 MET A 85 7.561 3.305 -7.758 1.00 0.00 H new ATOM 0 HB3 MET A 85 8.663 4.575 -8.252 1.00 0.00 H new ATOM 0 HG2 MET A 85 9.370 3.336 -10.215 1.00 0.00 H new ATOM 0 HG3 MET A 85 8.620 1.859 -9.642 1.00 0.00 H new ATOM 0 HE1 MET A 85 5.021 2.487 -9.429 1.00 0.00 H new ATOM 0 HE2 MET A 85 5.807 1.316 -10.515 1.00 0.00 H new ATOM 0 HE3 MET A 85 6.503 1.649 -8.911 1.00 0.00 H new ATOM 1339 N VAL A 86 8.688 0.617 -7.370 1.00 0.00 N ATOM 1340 CA VAL A 86 8.686 -0.839 -7.655 1.00 0.00 C ATOM 1341 C VAL A 86 8.245 -1.073 -9.101 1.00 0.00 C ATOM 1342 O VAL A 86 7.420 -0.360 -9.632 1.00 0.00 O ATOM 1343 CB VAL A 86 7.714 -1.541 -6.704 1.00 0.00 C ATOM 1344 CG1 VAL A 86 7.475 -2.974 -7.182 1.00 0.00 C ATOM 1345 CG2 VAL A 86 8.312 -1.563 -5.296 1.00 0.00 C ATOM 0 H VAL A 86 7.856 0.970 -6.897 1.00 0.00 H new ATOM 0 HA VAL A 86 9.689 -1.241 -7.512 1.00 0.00 H new ATOM 0 HB VAL A 86 6.766 -1.004 -6.689 1.00 0.00 H new ATOM 0 HG11 VAL A 86 6.783 -3.473 -6.504 1.00 0.00 H new ATOM 0 HG12 VAL A 86 7.051 -2.957 -8.186 1.00 0.00 H new ATOM 0 HG13 VAL A 86 8.421 -3.515 -7.197 1.00 0.00 H new ATOM 0 HG21 VAL A 86 7.622 -2.062 -4.616 1.00 0.00 H new ATOM 0 HG22 VAL A 86 9.260 -2.101 -5.312 1.00 0.00 H new ATOM 0 HG23 VAL A 86 8.481 -0.541 -4.956 1.00 0.00 H new ATOM 1355 N ARG A 87 8.788 -2.071 -9.737 1.00 0.00 N ATOM 1356 CA ARG A 87 8.399 -2.366 -11.145 1.00 0.00 C ATOM 1357 C ARG A 87 8.172 -3.873 -11.280 1.00 0.00 C ATOM 1358 O ARG A 87 8.208 -4.600 -10.308 1.00 0.00 O ATOM 1359 CB ARG A 87 9.514 -1.935 -12.101 1.00 0.00 C ATOM 1360 CG ARG A 87 10.119 -0.618 -11.617 1.00 0.00 C ATOM 1361 CD ARG A 87 9.151 0.521 -11.927 1.00 0.00 C ATOM 1362 NE ARG A 87 9.918 1.759 -12.236 1.00 0.00 N ATOM 1363 CZ ARG A 87 10.034 2.165 -13.471 1.00 0.00 C ATOM 1364 NH1 ARG A 87 10.976 1.678 -14.232 1.00 0.00 N ATOM 1365 NH2 ARG A 87 9.210 3.058 -13.945 1.00 0.00 N ATOM 0 H ARG A 87 9.488 -2.699 -9.342 1.00 0.00 H new ATOM 0 HA ARG A 87 7.490 -1.820 -11.396 1.00 0.00 H new ATOM 0 HB2 ARG A 87 10.284 -2.705 -12.150 1.00 0.00 H new ATOM 0 HB3 ARG A 87 9.118 -1.817 -13.109 1.00 0.00 H new ATOM 0 HG2 ARG A 87 10.313 -0.665 -10.545 1.00 0.00 H new ATOM 0 HG3 ARG A 87 11.076 -0.442 -12.107 1.00 0.00 H new ATOM 0 HD2 ARG A 87 8.518 0.253 -12.773 1.00 0.00 H new ATOM 0 HD3 ARG A 87 8.491 0.693 -11.076 1.00 0.00 H new ATOM 0 HE ARG A 87 10.353 2.290 -11.482 1.00 0.00 H new ATOM 0 HH11 ARG A 87 11.621 0.980 -13.862 1.00 0.00 H new ATOM 0 HH12 ARG A 87 11.067 1.995 -15.197 1.00 0.00 H new ATOM 0 HH21 ARG A 87 8.474 3.440 -13.350 1.00 0.00 H new ATOM 0 HH22 ARG A 87 9.301 3.375 -14.910 1.00 0.00 H new ATOM 1379 N PHE A 88 7.948 -4.353 -12.470 1.00 0.00 N ATOM 1380 CA PHE A 88 7.731 -5.816 -12.641 1.00 0.00 C ATOM 1381 C PHE A 88 8.315 -6.275 -13.975 1.00 0.00 C ATOM 1382 O PHE A 88 8.208 -5.601 -14.980 1.00 0.00 O ATOM 1383 CB PHE A 88 6.235 -6.129 -12.615 1.00 0.00 C ATOM 1384 CG PHE A 88 6.041 -7.622 -12.744 1.00 0.00 C ATOM 1385 CD1 PHE A 88 6.340 -8.460 -11.664 1.00 0.00 C ATOM 1386 CD2 PHE A 88 5.567 -8.167 -13.943 1.00 0.00 C ATOM 1387 CE1 PHE A 88 6.164 -9.843 -11.782 1.00 0.00 C ATOM 1388 CE2 PHE A 88 5.391 -9.551 -14.061 1.00 0.00 C ATOM 1389 CZ PHE A 88 5.690 -10.389 -12.979 1.00 0.00 C ATOM 0 H PHE A 88 7.906 -3.801 -13.326 1.00 0.00 H new ATOM 0 HA PHE A 88 8.227 -6.341 -11.825 1.00 0.00 H new ATOM 0 HB2 PHE A 88 5.792 -5.771 -11.686 1.00 0.00 H new ATOM 0 HB3 PHE A 88 5.728 -5.612 -13.430 1.00 0.00 H new ATOM 0 HD1 PHE A 88 6.707 -8.039 -10.739 1.00 0.00 H new ATOM 0 HD2 PHE A 88 5.337 -7.520 -14.777 1.00 0.00 H new ATOM 0 HE1 PHE A 88 6.394 -10.489 -10.948 1.00 0.00 H new ATOM 0 HE2 PHE A 88 5.025 -9.972 -14.986 1.00 0.00 H new ATOM 0 HZ PHE A 88 5.554 -11.457 -13.069 1.00 0.00 H new ATOM 1399 N SER A 89 8.926 -7.426 -13.991 1.00 0.00 N ATOM 1400 CA SER A 89 9.511 -7.944 -15.256 1.00 0.00 C ATOM 1401 C SER A 89 8.852 -9.281 -15.595 1.00 0.00 C ATOM 1402 O SER A 89 8.682 -10.132 -14.744 1.00 0.00 O ATOM 1403 CB SER A 89 11.016 -8.145 -15.080 1.00 0.00 C ATOM 1404 OG SER A 89 11.660 -6.878 -15.057 1.00 0.00 O ATOM 0 H SER A 89 9.045 -8.032 -13.179 1.00 0.00 H new ATOM 0 HA SER A 89 9.338 -7.231 -16.062 1.00 0.00 H new ATOM 0 HB2 SER A 89 11.217 -8.685 -14.154 1.00 0.00 H new ATOM 0 HB3 SER A 89 11.411 -8.752 -15.895 1.00 0.00 H new ATOM 0 HG SER A 89 11.046 -6.206 -14.694 1.00 0.00 H new ATOM 1410 N ARG A 90 8.474 -9.473 -16.829 1.00 0.00 N ATOM 1411 CA ARG A 90 7.823 -10.756 -17.213 1.00 0.00 C ATOM 1412 C ARG A 90 8.899 -11.758 -17.632 1.00 0.00 C ATOM 1413 O ARG A 90 8.663 -12.948 -17.689 1.00 0.00 O ATOM 1414 CB ARG A 90 6.864 -10.515 -18.381 1.00 0.00 C ATOM 1415 CG ARG A 90 5.944 -9.339 -18.051 1.00 0.00 C ATOM 1416 CD ARG A 90 6.213 -8.189 -19.024 1.00 0.00 C ATOM 1417 NE ARG A 90 5.894 -6.893 -18.362 1.00 0.00 N ATOM 1418 CZ ARG A 90 5.090 -6.045 -18.941 1.00 0.00 C ATOM 1419 NH1 ARG A 90 5.440 -5.475 -20.061 1.00 0.00 N ATOM 1420 NH2 ARG A 90 3.935 -5.768 -18.400 1.00 0.00 N ATOM 0 H ARG A 90 8.588 -8.799 -17.586 1.00 0.00 H new ATOM 0 HA ARG A 90 7.264 -11.152 -16.365 1.00 0.00 H new ATOM 0 HB2 ARG A 90 7.427 -10.306 -19.291 1.00 0.00 H new ATOM 0 HB3 ARG A 90 6.273 -11.411 -18.571 1.00 0.00 H new ATOM 0 HG2 ARG A 90 4.901 -9.650 -18.118 1.00 0.00 H new ATOM 0 HG3 ARG A 90 6.113 -9.009 -17.026 1.00 0.00 H new ATOM 0 HD2 ARG A 90 7.256 -8.202 -19.339 1.00 0.00 H new ATOM 0 HD3 ARG A 90 5.607 -8.309 -19.922 1.00 0.00 H new ATOM 0 HE ARG A 90 6.305 -6.669 -17.456 1.00 0.00 H new ATOM 0 HH11 ARG A 90 6.342 -5.693 -20.484 1.00 0.00 H new ATOM 0 HH12 ARG A 90 4.811 -4.812 -20.514 1.00 0.00 H new ATOM 0 HH21 ARG A 90 3.662 -6.215 -17.525 1.00 0.00 H new ATOM 0 HH22 ARG A 90 3.306 -5.105 -18.852 1.00 0.00 H new ATOM 1434 N LYS A 91 10.080 -11.286 -17.915 1.00 0.00 N ATOM 1435 CA LYS A 91 11.172 -12.212 -18.318 1.00 0.00 C ATOM 1436 C LYS A 91 11.440 -13.189 -17.173 1.00 0.00 C ATOM 1437 O LYS A 91 11.942 -14.277 -17.374 1.00 0.00 O ATOM 1438 CB LYS A 91 12.441 -11.412 -18.615 1.00 0.00 C ATOM 1439 CG LYS A 91 12.377 -10.860 -20.040 1.00 0.00 C ATOM 1440 CD LYS A 91 11.255 -9.825 -20.139 1.00 0.00 C ATOM 1441 CE LYS A 91 11.550 -8.659 -19.195 1.00 0.00 C ATOM 1442 NZ LYS A 91 12.883 -8.078 -19.522 1.00 0.00 N ATOM 0 H LYS A 91 10.336 -10.299 -17.885 1.00 0.00 H new ATOM 0 HA LYS A 91 10.878 -12.761 -19.213 1.00 0.00 H new ATOM 0 HB2 LYS A 91 12.543 -10.594 -17.902 1.00 0.00 H new ATOM 0 HB3 LYS A 91 13.319 -12.047 -18.499 1.00 0.00 H new ATOM 0 HG2 LYS A 91 13.330 -10.404 -20.308 1.00 0.00 H new ATOM 0 HG3 LYS A 91 12.201 -11.671 -20.747 1.00 0.00 H new ATOM 0 HD2 LYS A 91 11.169 -9.464 -21.164 1.00 0.00 H new ATOM 0 HD3 LYS A 91 10.300 -10.283 -19.881 1.00 0.00 H new ATOM 0 HE2 LYS A 91 10.777 -7.897 -19.289 1.00 0.00 H new ATOM 0 HE3 LYS A 91 11.535 -9.002 -18.161 1.00 0.00 H new ATOM 0 HZ1 LYS A 91 12.945 -7.113 -19.139 1.00 0.00 H new ATOM 0 HZ2 LYS A 91 13.631 -8.666 -19.101 1.00 0.00 H new ATOM 0 HZ3 LYS A 91 13.005 -8.049 -20.554 1.00 0.00 H new ATOM 1456 N THR A 92 11.106 -12.807 -15.970 1.00 0.00 N ATOM 1457 CA THR A 92 11.338 -13.710 -14.809 1.00 0.00 C ATOM 1458 C THR A 92 10.206 -13.539 -13.795 1.00 0.00 C ATOM 1459 O THR A 92 10.283 -14.013 -12.680 1.00 0.00 O ATOM 1460 CB THR A 92 12.672 -13.358 -14.146 1.00 0.00 C ATOM 1461 OG1 THR A 92 12.862 -11.950 -14.188 1.00 0.00 O ATOM 1462 CG2 THR A 92 13.814 -14.051 -14.890 1.00 0.00 C ATOM 0 H THR A 92 10.682 -11.908 -15.742 1.00 0.00 H new ATOM 0 HA THR A 92 11.365 -14.744 -15.154 1.00 0.00 H new ATOM 0 HB THR A 92 12.662 -13.694 -13.109 1.00 0.00 H new ATOM 0 HG1 THR A 92 13.248 -11.647 -13.340 1.00 0.00 H new ATOM 0 HG21 THR A 92 14.763 -13.799 -14.416 1.00 0.00 H new ATOM 0 HG22 THR A 92 13.667 -15.131 -14.857 1.00 0.00 H new ATOM 0 HG23 THR A 92 13.827 -13.718 -15.928 1.00 0.00 H new ATOM 1470 N LYS A 93 9.154 -12.863 -14.172 1.00 0.00 N ATOM 1471 CA LYS A 93 8.022 -12.662 -13.227 1.00 0.00 C ATOM 1472 C LYS A 93 8.573 -12.279 -11.852 1.00 0.00 C ATOM 1473 O LYS A 93 8.484 -13.035 -10.905 1.00 0.00 O ATOM 1474 CB LYS A 93 7.216 -13.957 -13.113 1.00 0.00 C ATOM 1475 CG LYS A 93 6.528 -14.251 -14.447 1.00 0.00 C ATOM 1476 CD LYS A 93 6.060 -15.707 -14.472 1.00 0.00 C ATOM 1477 CE LYS A 93 6.899 -16.496 -15.478 1.00 0.00 C ATOM 1478 NZ LYS A 93 7.303 -17.798 -14.874 1.00 0.00 N ATOM 0 H LYS A 93 9.031 -12.442 -15.093 1.00 0.00 H new ATOM 0 HA LYS A 93 7.375 -11.866 -13.595 1.00 0.00 H new ATOM 0 HB2 LYS A 93 7.873 -14.783 -12.841 1.00 0.00 H new ATOM 0 HB3 LYS A 93 6.473 -13.866 -12.321 1.00 0.00 H new ATOM 0 HG2 LYS A 93 5.678 -13.583 -14.585 1.00 0.00 H new ATOM 0 HG3 LYS A 93 7.216 -14.065 -15.272 1.00 0.00 H new ATOM 0 HD2 LYS A 93 6.154 -16.147 -13.479 1.00 0.00 H new ATOM 0 HD3 LYS A 93 5.006 -15.756 -14.744 1.00 0.00 H new ATOM 0 HE2 LYS A 93 6.327 -16.668 -16.390 1.00 0.00 H new ATOM 0 HE3 LYS A 93 7.783 -15.923 -15.759 1.00 0.00 H new ATOM 0 HZ1 LYS A 93 7.874 -18.335 -15.557 1.00 0.00 H new ATOM 0 HZ2 LYS A 93 7.864 -17.623 -14.016 1.00 0.00 H new ATOM 0 HZ3 LYS A 93 6.453 -18.345 -14.627 1.00 0.00 H new ATOM 1492 N GLN A 94 9.145 -11.110 -11.733 1.00 0.00 N ATOM 1493 CA GLN A 94 9.703 -10.689 -10.416 1.00 0.00 C ATOM 1494 C GLN A 94 9.480 -9.188 -10.214 1.00 0.00 C ATOM 1495 O GLN A 94 8.825 -8.536 -11.003 1.00 0.00 O ATOM 1496 CB GLN A 94 11.202 -10.990 -10.380 1.00 0.00 C ATOM 1497 CG GLN A 94 11.416 -12.502 -10.318 1.00 0.00 C ATOM 1498 CD GLN A 94 12.778 -12.851 -10.922 1.00 0.00 C ATOM 1499 OE1 GLN A 94 13.324 -12.092 -11.697 1.00 0.00 O ATOM 1500 NE2 GLN A 94 13.353 -13.977 -10.597 1.00 0.00 N ATOM 0 H GLN A 94 9.249 -10.432 -12.488 1.00 0.00 H new ATOM 0 HA GLN A 94 9.200 -11.237 -9.620 1.00 0.00 H new ATOM 0 HB2 GLN A 94 11.688 -10.579 -11.265 1.00 0.00 H new ATOM 0 HB3 GLN A 94 11.659 -10.511 -9.514 1.00 0.00 H new ATOM 0 HG2 GLN A 94 11.366 -12.845 -9.284 1.00 0.00 H new ATOM 0 HG3 GLN A 94 10.623 -13.015 -10.862 1.00 0.00 H new ATOM 0 HE21 GLN A 94 12.894 -14.615 -9.946 1.00 0.00 H new ATOM 0 HE22 GLN A 94 14.261 -14.219 -10.994 1.00 0.00 H new ATOM 1509 N GLN A 95 10.021 -8.634 -9.162 1.00 0.00 N ATOM 1510 CA GLN A 95 9.840 -7.177 -8.909 1.00 0.00 C ATOM 1511 C GLN A 95 11.182 -6.454 -9.059 1.00 0.00 C ATOM 1512 O GLN A 95 12.161 -6.805 -8.427 1.00 0.00 O ATOM 1513 CB GLN A 95 9.311 -6.959 -7.487 1.00 0.00 C ATOM 1514 CG GLN A 95 8.123 -5.997 -7.526 1.00 0.00 C ATOM 1515 CD GLN A 95 6.930 -6.685 -8.190 1.00 0.00 C ATOM 1516 OE1 GLN A 95 7.046 -7.790 -8.680 1.00 0.00 O ATOM 1517 NE2 GLN A 95 5.780 -6.072 -8.227 1.00 0.00 N ATOM 0 H GLN A 95 10.581 -9.129 -8.467 1.00 0.00 H new ATOM 0 HA GLN A 95 9.126 -6.779 -9.631 1.00 0.00 H new ATOM 0 HB2 GLN A 95 9.008 -7.911 -7.051 1.00 0.00 H new ATOM 0 HB3 GLN A 95 10.099 -6.554 -6.852 1.00 0.00 H new ATOM 0 HG2 GLN A 95 7.860 -5.686 -6.515 1.00 0.00 H new ATOM 0 HG3 GLN A 95 8.390 -5.096 -8.078 1.00 0.00 H new ATOM 0 HE21 GLN A 95 5.683 -5.144 -7.815 1.00 0.00 H new ATOM 0 HE22 GLN A 95 4.977 -6.521 -8.668 1.00 0.00 H new ATOM 1526 N TYR A 96 11.233 -5.440 -9.879 1.00 0.00 N ATOM 1527 CA TYR A 96 12.506 -4.688 -10.053 1.00 0.00 C ATOM 1528 C TYR A 96 12.235 -3.197 -9.827 1.00 0.00 C ATOM 1529 O TYR A 96 11.289 -2.646 -10.343 1.00 0.00 O ATOM 1530 CB TYR A 96 13.066 -4.930 -11.463 1.00 0.00 C ATOM 1531 CG TYR A 96 12.384 -4.035 -12.471 1.00 0.00 C ATOM 1532 CD1 TYR A 96 12.809 -2.711 -12.630 1.00 0.00 C ATOM 1533 CD2 TYR A 96 11.335 -4.531 -13.253 1.00 0.00 C ATOM 1534 CE1 TYR A 96 12.185 -1.883 -13.570 1.00 0.00 C ATOM 1535 CE2 TYR A 96 10.709 -3.704 -14.192 1.00 0.00 C ATOM 1536 CZ TYR A 96 11.135 -2.379 -14.351 1.00 0.00 C ATOM 1537 OH TYR A 96 10.520 -1.563 -15.278 1.00 0.00 O ATOM 0 H TYR A 96 10.448 -5.101 -10.435 1.00 0.00 H new ATOM 0 HA TYR A 96 13.245 -5.032 -9.329 1.00 0.00 H new ATOM 0 HB2 TYR A 96 14.140 -4.742 -11.470 1.00 0.00 H new ATOM 0 HB3 TYR A 96 12.924 -5.974 -11.742 1.00 0.00 H new ATOM 0 HD1 TYR A 96 13.619 -2.328 -12.027 1.00 0.00 H new ATOM 0 HD2 TYR A 96 11.008 -5.553 -13.132 1.00 0.00 H new ATOM 0 HE1 TYR A 96 12.514 -0.862 -13.693 1.00 0.00 H new ATOM 0 HE2 TYR A 96 9.898 -4.087 -14.794 1.00 0.00 H new ATOM 0 HH TYR A 96 9.812 -2.063 -15.736 1.00 0.00 H new ATOM 1547 N VAL A 97 13.049 -2.541 -9.049 1.00 0.00 N ATOM 1548 CA VAL A 97 12.815 -1.084 -8.786 1.00 0.00 C ATOM 1549 C VAL A 97 13.541 -0.248 -9.835 1.00 0.00 C ATOM 1550 O VAL A 97 14.384 -0.731 -10.558 1.00 0.00 O ATOM 1551 CB VAL A 97 13.342 -0.682 -7.395 1.00 0.00 C ATOM 1552 CG1 VAL A 97 12.169 -0.468 -6.443 1.00 0.00 C ATOM 1553 CG2 VAL A 97 14.258 -1.768 -6.823 1.00 0.00 C ATOM 0 H VAL A 97 13.863 -2.943 -8.584 1.00 0.00 H new ATOM 0 HA VAL A 97 11.741 -0.904 -8.830 1.00 0.00 H new ATOM 0 HB VAL A 97 13.912 0.241 -7.500 1.00 0.00 H new ATOM 0 HG11 VAL A 97 12.545 -0.184 -5.460 1.00 0.00 H new ATOM 0 HG12 VAL A 97 11.527 0.324 -6.829 1.00 0.00 H new ATOM 0 HG13 VAL A 97 11.596 -1.391 -6.359 1.00 0.00 H new ATOM 0 HG21 VAL A 97 14.617 -1.461 -5.841 1.00 0.00 H new ATOM 0 HG22 VAL A 97 13.702 -2.701 -6.731 1.00 0.00 H new ATOM 0 HG23 VAL A 97 15.107 -1.916 -7.490 1.00 0.00 H new ATOM 1563 N SER A 98 13.214 1.010 -9.918 1.00 0.00 N ATOM 1564 CA SER A 98 13.888 1.894 -10.909 1.00 0.00 C ATOM 1565 C SER A 98 13.891 3.332 -10.382 1.00 0.00 C ATOM 1566 O SER A 98 12.857 3.885 -10.060 1.00 0.00 O ATOM 1567 CB SER A 98 13.149 1.824 -12.242 1.00 0.00 C ATOM 1568 OG SER A 98 13.653 2.827 -13.114 1.00 0.00 O ATOM 0 H SER A 98 12.507 1.466 -9.341 1.00 0.00 H new ATOM 0 HA SER A 98 14.916 1.565 -11.058 1.00 0.00 H new ATOM 0 HB2 SER A 98 13.277 0.839 -12.690 1.00 0.00 H new ATOM 0 HB3 SER A 98 12.080 1.966 -12.086 1.00 0.00 H new ATOM 0 HG SER A 98 14.592 2.638 -13.321 1.00 0.00 H new ATOM 1574 N SER A 99 15.042 3.942 -10.290 1.00 0.00 N ATOM 1575 CA SER A 99 15.106 5.341 -9.781 1.00 0.00 C ATOM 1576 C SER A 99 14.406 6.270 -10.775 1.00 0.00 C ATOM 1577 O SER A 99 14.283 5.962 -11.944 1.00 0.00 O ATOM 1578 CB SER A 99 16.568 5.764 -9.630 1.00 0.00 C ATOM 1579 OG SER A 99 17.307 4.698 -9.050 1.00 0.00 O ATOM 0 H SER A 99 15.940 3.532 -10.545 1.00 0.00 H new ATOM 0 HA SER A 99 14.611 5.401 -8.812 1.00 0.00 H new ATOM 0 HB2 SER A 99 16.986 6.025 -10.603 1.00 0.00 H new ATOM 0 HB3 SER A 99 16.639 6.654 -9.004 1.00 0.00 H new ATOM 0 HG SER A 99 18.243 4.756 -9.335 1.00 0.00 H new ATOM 1585 N GLU A 100 13.948 7.403 -10.324 1.00 0.00 N ATOM 1586 CA GLU A 100 13.258 8.348 -11.248 1.00 0.00 C ATOM 1587 C GLU A 100 13.474 9.785 -10.768 1.00 0.00 C ATOM 1588 O GLU A 100 12.957 10.192 -9.746 1.00 0.00 O ATOM 1589 CB GLU A 100 11.759 8.038 -11.269 1.00 0.00 C ATOM 1590 CG GLU A 100 11.438 7.145 -12.469 1.00 0.00 C ATOM 1591 CD GLU A 100 10.701 5.892 -11.991 1.00 0.00 C ATOM 1592 OE1 GLU A 100 11.034 5.405 -10.922 1.00 0.00 O ATOM 1593 OE2 GLU A 100 9.818 5.442 -12.701 1.00 0.00 O ATOM 0 H GLU A 100 14.021 7.717 -9.356 1.00 0.00 H new ATOM 0 HA GLU A 100 13.668 8.236 -12.252 1.00 0.00 H new ATOM 0 HB2 GLU A 100 11.467 7.541 -10.344 1.00 0.00 H new ATOM 0 HB3 GLU A 100 11.186 8.964 -11.328 1.00 0.00 H new ATOM 0 HG2 GLU A 100 10.824 7.689 -13.187 1.00 0.00 H new ATOM 0 HG3 GLU A 100 12.357 6.865 -12.983 1.00 0.00 H new ATOM 1600 N LYS A 101 14.233 10.556 -11.497 1.00 0.00 N ATOM 1601 CA LYS A 101 14.479 11.964 -11.083 1.00 0.00 C ATOM 1602 C LYS A 101 13.178 12.759 -11.143 1.00 0.00 C ATOM 1603 O LYS A 101 12.804 13.276 -12.175 1.00 0.00 O ATOM 1604 CB LYS A 101 15.506 12.596 -12.004 1.00 0.00 C ATOM 1605 CG LYS A 101 16.695 13.015 -11.150 1.00 0.00 C ATOM 1606 CD LYS A 101 17.203 14.372 -11.616 1.00 0.00 C ATOM 1607 CE LYS A 101 18.583 14.214 -12.258 1.00 0.00 C ATOM 1608 NZ LYS A 101 19.497 15.269 -11.736 1.00 0.00 N ATOM 0 H LYS A 101 14.693 10.271 -12.361 1.00 0.00 H new ATOM 0 HA LYS A 101 14.856 11.974 -10.060 1.00 0.00 H new ATOM 0 HB2 LYS A 101 15.817 11.889 -12.773 1.00 0.00 H new ATOM 0 HB3 LYS A 101 15.081 13.458 -12.517 1.00 0.00 H new ATOM 0 HG2 LYS A 101 16.403 13.065 -10.101 1.00 0.00 H new ATOM 0 HG3 LYS A 101 17.489 12.272 -11.225 1.00 0.00 H new ATOM 0 HD2 LYS A 101 16.505 14.806 -12.333 1.00 0.00 H new ATOM 0 HD3 LYS A 101 17.261 15.059 -10.772 1.00 0.00 H new ATOM 0 HE2 LYS A 101 18.987 13.226 -12.038 1.00 0.00 H new ATOM 0 HE3 LYS A 101 18.503 14.291 -13.342 1.00 0.00 H new ATOM 0 HZ1 LYS A 101 20.435 15.162 -12.172 1.00 0.00 H new ATOM 0 HZ2 LYS A 101 19.112 16.207 -11.967 1.00 0.00 H new ATOM 0 HZ3 LYS A 101 19.582 15.175 -10.704 1.00 0.00 H new ATOM 1622 N ASP A 102 12.483 12.859 -10.041 1.00 0.00 N ATOM 1623 CA ASP A 102 11.205 13.621 -10.032 1.00 0.00 C ATOM 1624 C ASP A 102 10.292 13.094 -11.135 1.00 0.00 C ATOM 1625 O ASP A 102 9.498 12.198 -10.928 1.00 0.00 O ATOM 1626 CB ASP A 102 11.494 15.106 -10.271 1.00 0.00 C ATOM 1627 CG ASP A 102 11.928 15.759 -8.958 1.00 0.00 C ATOM 1628 OD1 ASP A 102 13.001 15.427 -8.480 1.00 0.00 O ATOM 1629 OD2 ASP A 102 11.181 16.580 -8.451 1.00 0.00 O ATOM 0 H ASP A 102 12.747 12.445 -9.147 1.00 0.00 H new ATOM 0 HA ASP A 102 10.715 13.499 -9.066 1.00 0.00 H new ATOM 0 HB2 ASP A 102 12.276 15.219 -11.022 1.00 0.00 H new ATOM 0 HB3 ASP A 102 10.605 15.602 -10.660 1.00 0.00 H new ATOM 1634 N GLY A 103 10.403 13.647 -12.301 1.00 0.00 N ATOM 1635 CA GLY A 103 9.549 13.192 -13.434 1.00 0.00 C ATOM 1636 C GLY A 103 10.351 13.256 -14.736 1.00 0.00 C ATOM 1637 O GLY A 103 9.975 13.930 -15.674 1.00 0.00 O ATOM 0 H GLY A 103 11.052 14.401 -12.525 1.00 0.00 H new ATOM 0 HA2 GLY A 103 9.204 12.173 -13.257 1.00 0.00 H new ATOM 0 HA3 GLY A 103 8.662 13.821 -13.510 1.00 0.00 H new ATOM 1641 N LYS A 104 11.452 12.559 -14.800 1.00 0.00 N ATOM 1642 CA LYS A 104 12.276 12.582 -16.041 1.00 0.00 C ATOM 1643 C LYS A 104 12.983 11.236 -16.210 1.00 0.00 C ATOM 1644 O LYS A 104 13.915 11.106 -16.979 1.00 0.00 O ATOM 1645 CB LYS A 104 13.321 13.697 -15.939 1.00 0.00 C ATOM 1646 CG LYS A 104 14.406 13.292 -14.938 1.00 0.00 C ATOM 1647 CD LYS A 104 15.473 14.386 -14.873 1.00 0.00 C ATOM 1648 CE LYS A 104 14.947 15.565 -14.051 1.00 0.00 C ATOM 1649 NZ LYS A 104 15.924 16.689 -14.115 1.00 0.00 N ATOM 0 H LYS A 104 11.816 11.975 -14.047 1.00 0.00 H new ATOM 0 HA LYS A 104 11.632 12.764 -16.901 1.00 0.00 H new ATOM 0 HB2 LYS A 104 13.765 13.884 -16.917 1.00 0.00 H new ATOM 0 HB3 LYS A 104 12.847 14.626 -15.621 1.00 0.00 H new ATOM 0 HG2 LYS A 104 13.967 13.138 -13.952 1.00 0.00 H new ATOM 0 HG3 LYS A 104 14.857 12.346 -15.237 1.00 0.00 H new ATOM 0 HD2 LYS A 104 16.385 13.993 -14.423 1.00 0.00 H new ATOM 0 HD3 LYS A 104 15.731 14.717 -15.879 1.00 0.00 H new ATOM 0 HE2 LYS A 104 13.979 15.888 -14.435 1.00 0.00 H new ATOM 0 HE3 LYS A 104 14.793 15.261 -13.016 1.00 0.00 H new ATOM 0 HZ1 LYS A 104 15.619 17.451 -13.477 1.00 0.00 H new ATOM 0 HZ2 LYS A 104 16.863 16.350 -13.824 1.00 0.00 H new ATOM 0 HZ3 LYS A 104 15.973 17.051 -15.089 1.00 0.00 H new ATOM 1663 N ALA A 105 12.551 10.232 -15.497 1.00 0.00 N ATOM 1664 CA ALA A 105 13.204 8.900 -15.619 1.00 0.00 C ATOM 1665 C ALA A 105 14.719 9.073 -15.506 1.00 0.00 C ATOM 1666 O ALA A 105 15.214 10.161 -15.289 1.00 0.00 O ATOM 1667 CB ALA A 105 12.859 8.283 -16.975 1.00 0.00 C ATOM 0 H ALA A 105 11.775 10.277 -14.836 1.00 0.00 H new ATOM 0 HA ALA A 105 12.849 8.243 -14.825 1.00 0.00 H new ATOM 0 HB1 ALA A 105 13.338 7.308 -17.063 1.00 0.00 H new ATOM 0 HB2 ALA A 105 11.778 8.166 -17.057 1.00 0.00 H new ATOM 0 HB3 ALA A 105 13.215 8.935 -17.773 1.00 0.00 H new ATOM 1673 N THR A 106 15.463 8.010 -15.652 1.00 0.00 N ATOM 1674 CA THR A 106 16.945 8.124 -15.551 1.00 0.00 C ATOM 1675 C THR A 106 17.595 6.848 -16.092 1.00 0.00 C ATOM 1676 O THR A 106 18.508 6.897 -16.892 1.00 0.00 O ATOM 1677 CB THR A 106 17.342 8.319 -14.085 1.00 0.00 C ATOM 1678 OG1 THR A 106 16.487 7.540 -13.259 1.00 0.00 O ATOM 1679 CG2 THR A 106 17.209 9.796 -13.711 1.00 0.00 C ATOM 0 H THR A 106 15.110 7.071 -15.836 1.00 0.00 H new ATOM 0 HA THR A 106 17.284 8.979 -16.136 1.00 0.00 H new ATOM 0 HB THR A 106 18.375 8.003 -13.941 1.00 0.00 H new ATOM 0 HG1 THR A 106 16.740 7.662 -12.320 1.00 0.00 H new ATOM 0 HG21 THR A 106 17.492 9.934 -12.667 1.00 0.00 H new ATOM 0 HG22 THR A 106 17.864 10.393 -14.346 1.00 0.00 H new ATOM 0 HG23 THR A 106 16.177 10.116 -13.852 1.00 0.00 H new ATOM 1687 N GLY A 107 17.131 5.707 -15.662 1.00 0.00 N ATOM 1688 CA GLY A 107 17.724 4.431 -16.153 1.00 0.00 C ATOM 1689 C GLY A 107 17.939 3.480 -14.976 1.00 0.00 C ATOM 1690 O GLY A 107 17.784 2.281 -15.097 1.00 0.00 O ATOM 0 H GLY A 107 16.368 5.603 -14.993 1.00 0.00 H new ATOM 0 HA2 GLY A 107 17.065 3.971 -16.889 1.00 0.00 H new ATOM 0 HA3 GLY A 107 18.672 4.628 -16.653 1.00 0.00 H new ATOM 1694 N TRP A 108 18.296 4.005 -13.834 1.00 0.00 N ATOM 1695 CA TRP A 108 18.520 3.131 -12.649 1.00 0.00 C ATOM 1696 C TRP A 108 17.399 2.093 -12.562 1.00 0.00 C ATOM 1697 O TRP A 108 16.233 2.412 -12.677 1.00 0.00 O ATOM 1698 CB TRP A 108 18.525 3.985 -11.381 1.00 0.00 C ATOM 1699 CG TRP A 108 19.236 3.256 -10.284 1.00 0.00 C ATOM 1700 CD1 TRP A 108 20.545 3.406 -9.974 1.00 0.00 C ATOM 1701 CD2 TRP A 108 18.705 2.272 -9.349 1.00 0.00 C ATOM 1702 NE1 TRP A 108 20.849 2.580 -8.907 1.00 0.00 N ATOM 1703 CE2 TRP A 108 19.749 1.862 -8.486 1.00 0.00 C ATOM 1704 CE3 TRP A 108 17.432 1.703 -9.166 1.00 0.00 C ATOM 1705 CZ2 TRP A 108 19.536 0.920 -7.478 1.00 0.00 C ATOM 1706 CZ3 TRP A 108 17.215 0.755 -8.153 1.00 0.00 C ATOM 1707 CH2 TRP A 108 18.265 0.366 -7.310 1.00 0.00 C ATOM 0 H TRP A 108 18.442 5.001 -13.672 1.00 0.00 H new ATOM 0 HA TRP A 108 19.479 2.622 -12.748 1.00 0.00 H new ATOM 0 HB2 TRP A 108 19.016 4.938 -11.575 1.00 0.00 H new ATOM 0 HB3 TRP A 108 17.502 4.209 -11.078 1.00 0.00 H new ATOM 0 HD1 TRP A 108 21.239 4.063 -10.477 1.00 0.00 H new ATOM 0 HE1 TRP A 108 21.774 2.510 -8.483 1.00 0.00 H new ATOM 0 HE3 TRP A 108 16.616 1.997 -9.809 1.00 0.00 H new ATOM 0 HZ2 TRP A 108 20.349 0.622 -6.832 1.00 0.00 H new ATOM 0 HZ3 TRP A 108 16.234 0.323 -8.023 1.00 0.00 H new ATOM 0 HH2 TRP A 108 18.091 -0.362 -6.531 1.00 0.00 H new ATOM 1718 N SER A 109 17.747 0.851 -12.365 1.00 0.00 N ATOM 1719 CA SER A 109 16.707 -0.211 -12.273 1.00 0.00 C ATOM 1720 C SER A 109 17.270 -1.400 -11.488 1.00 0.00 C ATOM 1721 O SER A 109 18.028 -2.194 -12.009 1.00 0.00 O ATOM 1722 CB SER A 109 16.328 -0.669 -13.683 1.00 0.00 C ATOM 1723 OG SER A 109 17.444 -1.311 -14.284 1.00 0.00 O ATOM 0 H SER A 109 18.708 0.526 -12.264 1.00 0.00 H new ATOM 0 HA SER A 109 15.825 0.180 -11.765 1.00 0.00 H new ATOM 0 HB2 SER A 109 15.480 -1.353 -13.640 1.00 0.00 H new ATOM 0 HB3 SER A 109 16.018 0.186 -14.284 1.00 0.00 H new ATOM 0 HG SER A 109 18.136 -1.466 -13.607 1.00 0.00 H new ATOM 1729 N ALA A 110 16.907 -1.535 -10.241 1.00 0.00 N ATOM 1730 CA ALA A 110 17.426 -2.676 -9.436 1.00 0.00 C ATOM 1731 C ALA A 110 16.498 -3.876 -9.611 1.00 0.00 C ATOM 1732 O ALA A 110 15.332 -3.731 -9.922 1.00 0.00 O ATOM 1733 CB ALA A 110 17.476 -2.282 -7.957 1.00 0.00 C ATOM 0 H ALA A 110 16.275 -0.906 -9.746 1.00 0.00 H new ATOM 0 HA ALA A 110 18.430 -2.934 -9.774 1.00 0.00 H new ATOM 0 HB1 ALA A 110 17.856 -3.118 -7.370 1.00 0.00 H new ATOM 0 HB2 ALA A 110 18.134 -1.422 -7.832 1.00 0.00 H new ATOM 0 HB3 ALA A 110 16.474 -2.025 -7.615 1.00 0.00 H new ATOM 1739 N PHE A 111 17.007 -5.061 -9.431 1.00 0.00 N ATOM 1740 CA PHE A 111 16.151 -6.268 -9.606 1.00 0.00 C ATOM 1741 C PHE A 111 16.176 -7.124 -8.344 1.00 0.00 C ATOM 1742 O PHE A 111 17.170 -7.214 -7.658 1.00 0.00 O ATOM 1743 CB PHE A 111 16.674 -7.103 -10.778 1.00 0.00 C ATOM 1744 CG PHE A 111 16.843 -6.229 -11.995 1.00 0.00 C ATOM 1745 CD1 PHE A 111 17.958 -5.391 -12.103 1.00 0.00 C ATOM 1746 CD2 PHE A 111 15.889 -6.262 -13.018 1.00 0.00 C ATOM 1747 CE1 PHE A 111 18.120 -4.584 -13.234 1.00 0.00 C ATOM 1748 CE2 PHE A 111 16.051 -5.456 -14.150 1.00 0.00 C ATOM 1749 CZ PHE A 111 17.167 -4.617 -14.258 1.00 0.00 C ATOM 0 H PHE A 111 17.976 -5.247 -9.171 1.00 0.00 H new ATOM 0 HA PHE A 111 15.129 -5.943 -9.803 1.00 0.00 H new ATOM 0 HB2 PHE A 111 17.627 -7.561 -10.513 1.00 0.00 H new ATOM 0 HB3 PHE A 111 15.980 -7.915 -10.996 1.00 0.00 H new ATOM 0 HD1 PHE A 111 18.694 -5.367 -11.313 1.00 0.00 H new ATOM 0 HD2 PHE A 111 15.028 -6.909 -12.934 1.00 0.00 H new ATOM 0 HE1 PHE A 111 18.980 -3.936 -13.317 1.00 0.00 H new ATOM 0 HE2 PHE A 111 15.315 -5.481 -14.940 1.00 0.00 H new ATOM 0 HZ PHE A 111 17.292 -3.995 -15.132 1.00 0.00 H new ATOM 1759 N TYR A 112 15.088 -7.772 -8.043 1.00 0.00 N ATOM 1760 CA TYR A 112 15.054 -8.638 -6.838 1.00 0.00 C ATOM 1761 C TYR A 112 15.456 -10.056 -7.239 1.00 0.00 C ATOM 1762 O TYR A 112 14.694 -10.775 -7.855 1.00 0.00 O ATOM 1763 CB TYR A 112 13.642 -8.653 -6.257 1.00 0.00 C ATOM 1764 CG TYR A 112 13.723 -8.636 -4.752 1.00 0.00 C ATOM 1765 CD1 TYR A 112 14.770 -9.300 -4.101 1.00 0.00 C ATOM 1766 CD2 TYR A 112 12.755 -7.954 -4.009 1.00 0.00 C ATOM 1767 CE1 TYR A 112 14.846 -9.283 -2.703 1.00 0.00 C ATOM 1768 CE2 TYR A 112 12.832 -7.937 -2.613 1.00 0.00 C ATOM 1769 CZ TYR A 112 13.878 -8.601 -1.959 1.00 0.00 C ATOM 1770 OH TYR A 112 13.952 -8.583 -0.582 1.00 0.00 O ATOM 0 H TYR A 112 14.221 -7.739 -8.580 1.00 0.00 H new ATOM 0 HA TYR A 112 15.745 -8.254 -6.087 1.00 0.00 H new ATOM 0 HB2 TYR A 112 13.081 -7.789 -6.612 1.00 0.00 H new ATOM 0 HB3 TYR A 112 13.107 -9.541 -6.594 1.00 0.00 H new ATOM 0 HD1 TYR A 112 15.518 -9.825 -4.677 1.00 0.00 H new ATOM 0 HD2 TYR A 112 11.949 -7.441 -4.512 1.00 0.00 H new ATOM 0 HE1 TYR A 112 15.652 -9.796 -2.199 1.00 0.00 H new ATOM 0 HE2 TYR A 112 12.084 -7.411 -2.038 1.00 0.00 H new ATOM 0 HH TYR A 112 13.561 -7.750 -0.244 1.00 0.00 H new ATOM 1780 N VAL A 113 16.643 -10.471 -6.894 1.00 0.00 N ATOM 1781 CA VAL A 113 17.078 -11.841 -7.259 1.00 0.00 C ATOM 1782 C VAL A 113 16.664 -12.785 -6.130 1.00 0.00 C ATOM 1783 O VAL A 113 15.636 -12.601 -5.522 1.00 0.00 O ATOM 1784 CB VAL A 113 18.599 -11.872 -7.457 1.00 0.00 C ATOM 1785 CG1 VAL A 113 18.966 -13.054 -8.355 1.00 0.00 C ATOM 1786 CG2 VAL A 113 19.068 -10.574 -8.131 1.00 0.00 C ATOM 0 H VAL A 113 17.327 -9.919 -6.376 1.00 0.00 H new ATOM 0 HA VAL A 113 16.611 -12.153 -8.193 1.00 0.00 H new ATOM 0 HB VAL A 113 19.082 -11.972 -6.485 1.00 0.00 H new ATOM 0 HG11 VAL A 113 20.046 -13.080 -8.499 1.00 0.00 H new ATOM 0 HG12 VAL A 113 18.640 -13.982 -7.886 1.00 0.00 H new ATOM 0 HG13 VAL A 113 18.474 -12.943 -9.321 1.00 0.00 H new ATOM 0 HG21 VAL A 113 20.149 -10.605 -8.268 1.00 0.00 H new ATOM 0 HG22 VAL A 113 18.582 -10.472 -9.102 1.00 0.00 H new ATOM 0 HG23 VAL A 113 18.806 -9.723 -7.503 1.00 0.00 H new ATOM 1796 N ASP A 114 17.461 -13.762 -5.815 1.00 0.00 N ATOM 1797 CA ASP A 114 17.090 -14.686 -4.702 1.00 0.00 C ATOM 1798 C ASP A 114 17.174 -13.880 -3.425 1.00 0.00 C ATOM 1799 O ASP A 114 18.206 -13.829 -2.786 1.00 0.00 O ATOM 1800 CB ASP A 114 18.074 -15.857 -4.645 1.00 0.00 C ATOM 1801 CG ASP A 114 17.297 -17.173 -4.577 1.00 0.00 C ATOM 1802 OD1 ASP A 114 16.868 -17.639 -5.619 1.00 0.00 O ATOM 1803 OD2 ASP A 114 17.146 -17.693 -3.484 1.00 0.00 O ATOM 0 H ASP A 114 18.349 -13.964 -6.274 1.00 0.00 H new ATOM 0 HA ASP A 114 16.090 -15.094 -4.846 1.00 0.00 H new ATOM 0 HB2 ASP A 114 18.718 -15.848 -5.524 1.00 0.00 H new ATOM 0 HB3 ASP A 114 18.722 -15.759 -3.774 1.00 0.00 H new ATOM 1808 N GLY A 115 16.123 -13.180 -3.079 1.00 0.00 N ATOM 1809 CA GLY A 115 16.209 -12.308 -1.885 1.00 0.00 C ATOM 1810 C GLY A 115 17.490 -11.501 -2.067 1.00 0.00 C ATOM 1811 O GLY A 115 18.138 -11.102 -1.120 1.00 0.00 O ATOM 0 H GLY A 115 15.227 -13.178 -3.566 1.00 0.00 H new ATOM 0 HA2 GLY A 115 15.340 -11.655 -1.812 1.00 0.00 H new ATOM 0 HA3 GLY A 115 16.243 -12.898 -0.969 1.00 0.00 H new ATOM 1815 N LYS A 116 17.880 -11.310 -3.311 1.00 0.00 N ATOM 1816 CA LYS A 116 19.148 -10.588 -3.591 1.00 0.00 C ATOM 1817 C LYS A 116 18.916 -9.405 -4.532 1.00 0.00 C ATOM 1818 O LYS A 116 19.183 -9.487 -5.713 1.00 0.00 O ATOM 1819 CB LYS A 116 20.137 -11.553 -4.248 1.00 0.00 C ATOM 1820 CG LYS A 116 21.271 -11.869 -3.271 1.00 0.00 C ATOM 1821 CD LYS A 116 20.699 -12.549 -2.026 1.00 0.00 C ATOM 1822 CE LYS A 116 21.251 -11.867 -0.772 1.00 0.00 C ATOM 1823 NZ LYS A 116 22.674 -12.265 -0.575 1.00 0.00 N ATOM 0 H LYS A 116 17.369 -11.626 -4.136 1.00 0.00 H new ATOM 0 HA LYS A 116 19.543 -10.210 -2.648 1.00 0.00 H new ATOM 0 HB2 LYS A 116 19.627 -12.471 -4.538 1.00 0.00 H new ATOM 0 HB3 LYS A 116 20.541 -11.112 -5.159 1.00 0.00 H new ATOM 0 HG2 LYS A 116 22.005 -12.518 -3.748 1.00 0.00 H new ATOM 0 HG3 LYS A 116 21.790 -10.952 -2.991 1.00 0.00 H new ATOM 0 HD2 LYS A 116 19.611 -12.491 -2.035 1.00 0.00 H new ATOM 0 HD3 LYS A 116 20.962 -13.607 -2.023 1.00 0.00 H new ATOM 0 HE2 LYS A 116 21.176 -10.784 -0.871 1.00 0.00 H new ATOM 0 HE3 LYS A 116 20.659 -12.149 0.099 1.00 0.00 H new ATOM 0 HZ1 LYS A 116 23.049 -11.802 0.277 1.00 0.00 H new ATOM 0 HZ2 LYS A 116 22.733 -13.297 -0.462 1.00 0.00 H new ATOM 0 HZ3 LYS A 116 23.233 -11.974 -1.402 1.00 0.00 H new ATOM 1837 N TRP A 117 18.447 -8.297 -4.029 1.00 0.00 N ATOM 1838 CA TRP A 117 18.238 -7.124 -4.922 1.00 0.00 C ATOM 1839 C TRP A 117 19.507 -6.902 -5.751 1.00 0.00 C ATOM 1840 O TRP A 117 20.557 -7.430 -5.444 1.00 0.00 O ATOM 1841 CB TRP A 117 17.955 -5.880 -4.081 1.00 0.00 C ATOM 1842 CG TRP A 117 16.489 -5.784 -3.811 1.00 0.00 C ATOM 1843 CD1 TRP A 117 15.911 -5.974 -2.604 1.00 0.00 C ATOM 1844 CD2 TRP A 117 15.409 -5.474 -4.741 1.00 0.00 C ATOM 1845 NE1 TRP A 117 14.545 -5.803 -2.729 1.00 0.00 N ATOM 1846 CE2 TRP A 117 14.186 -5.492 -4.026 1.00 0.00 C ATOM 1847 CE3 TRP A 117 15.367 -5.182 -6.119 1.00 0.00 C ATOM 1848 CZ2 TRP A 117 12.969 -5.227 -4.655 1.00 0.00 C ATOM 1849 CZ3 TRP A 117 14.146 -4.916 -6.751 1.00 0.00 C ATOM 1850 CH2 TRP A 117 12.948 -4.936 -6.022 1.00 0.00 C ATOM 0 H TRP A 117 18.202 -8.154 -3.049 1.00 0.00 H new ATOM 0 HA TRP A 117 17.390 -7.309 -5.581 1.00 0.00 H new ATOM 0 HB2 TRP A 117 18.506 -5.930 -3.142 1.00 0.00 H new ATOM 0 HB3 TRP A 117 18.298 -4.988 -4.605 1.00 0.00 H new ATOM 0 HD1 TRP A 117 16.432 -6.220 -1.690 1.00 0.00 H new ATOM 0 HE1 TRP A 117 13.883 -5.895 -1.958 1.00 0.00 H new ATOM 0 HE3 TRP A 117 16.283 -5.163 -6.691 1.00 0.00 H new ATOM 0 HZ2 TRP A 117 12.049 -5.247 -4.089 1.00 0.00 H new ATOM 0 HZ3 TRP A 117 14.127 -4.694 -7.808 1.00 0.00 H new ATOM 0 HH2 TRP A 117 12.011 -4.727 -6.516 1.00 0.00 H new ATOM 1861 N VAL A 118 19.420 -6.133 -6.800 1.00 0.00 N ATOM 1862 CA VAL A 118 20.624 -5.888 -7.647 1.00 0.00 C ATOM 1863 C VAL A 118 20.517 -4.503 -8.290 1.00 0.00 C ATOM 1864 O VAL A 118 19.501 -3.845 -8.201 1.00 0.00 O ATOM 1865 CB VAL A 118 20.717 -6.954 -8.749 1.00 0.00 C ATOM 1866 CG1 VAL A 118 21.728 -8.024 -8.345 1.00 0.00 C ATOM 1867 CG2 VAL A 118 19.355 -7.617 -8.959 1.00 0.00 C ATOM 0 H VAL A 118 18.569 -5.663 -7.109 1.00 0.00 H new ATOM 0 HA VAL A 118 21.517 -5.939 -7.024 1.00 0.00 H new ATOM 0 HB VAL A 118 21.033 -6.472 -9.674 1.00 0.00 H new ATOM 0 HG11 VAL A 118 21.792 -8.779 -9.129 1.00 0.00 H new ATOM 0 HG12 VAL A 118 22.706 -7.565 -8.203 1.00 0.00 H new ATOM 0 HG13 VAL A 118 21.409 -8.493 -7.414 1.00 0.00 H new ATOM 0 HG21 VAL A 118 19.434 -8.371 -9.743 1.00 0.00 H new ATOM 0 HG22 VAL A 118 19.034 -8.091 -8.031 1.00 0.00 H new ATOM 0 HG23 VAL A 118 18.625 -6.863 -9.253 1.00 0.00 H new ATOM 1877 N GLU A 119 21.558 -4.056 -8.938 1.00 0.00 N ATOM 1878 CA GLU A 119 21.511 -2.714 -9.586 1.00 0.00 C ATOM 1879 C GLU A 119 21.943 -2.839 -11.048 1.00 0.00 C ATOM 1880 O GLU A 119 23.089 -3.112 -11.346 1.00 0.00 O ATOM 1881 CB GLU A 119 22.454 -1.757 -8.855 1.00 0.00 C ATOM 1882 CG GLU A 119 21.909 -1.472 -7.454 1.00 0.00 C ATOM 1883 CD GLU A 119 22.552 -2.431 -6.451 1.00 0.00 C ATOM 1884 OE1 GLU A 119 23.731 -2.709 -6.599 1.00 0.00 O ATOM 1885 OE2 GLU A 119 21.855 -2.870 -5.550 1.00 0.00 O ATOM 0 H GLU A 119 22.438 -4.561 -9.047 1.00 0.00 H new ATOM 0 HA GLU A 119 20.494 -2.325 -9.539 1.00 0.00 H new ATOM 0 HB2 GLU A 119 23.451 -2.193 -8.787 1.00 0.00 H new ATOM 0 HB3 GLU A 119 22.551 -0.827 -9.415 1.00 0.00 H new ATOM 0 HG2 GLU A 119 22.120 -0.440 -7.173 1.00 0.00 H new ATOM 0 HG3 GLU A 119 20.825 -1.590 -7.443 1.00 0.00 H new ATOM 1892 N GLY A 120 21.035 -2.641 -11.964 1.00 0.00 N ATOM 1893 CA GLY A 120 21.393 -2.748 -13.407 1.00 0.00 C ATOM 1894 C GLY A 120 21.200 -1.390 -14.082 1.00 0.00 C ATOM 1895 O GLY A 120 20.092 -0.972 -14.354 1.00 0.00 O ATOM 0 H GLY A 120 20.060 -2.410 -11.775 1.00 0.00 H new ATOM 0 HA2 GLY A 120 22.427 -3.075 -13.513 1.00 0.00 H new ATOM 0 HA3 GLY A 120 20.770 -3.499 -13.893 1.00 0.00 H new