USER MOD reduce.3.24.130724 H: found=0, std=0, add=582, rem=0, adj=18 USER MOD reduce.3.24.130724 removed 583 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 65 ASN : amide:sc= 0.511 K(o=2,f=0.36) USER MOD Set 1.2: A 68 GLN : amide:sc= 1.48 K(o=2,f=-0.44) USER MOD Single : A 12 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 14 LYS NZ :NH3+ -165:sc= 0.0157 (180deg=-0.0662) USER MOD Single : A 15 GLN : amide:sc= -1.08 X(o=-1.1,f=-1.2) USER MOD Single : A 19 THR OG1 : rot 180:sc= 0.026 USER MOD Single : A 20 THR OG1 : rot -41:sc= 0.103 USER MOD Single : A 24 LYS NZ :NH3+ -154:sc= 1.22 (180deg=0.743) USER MOD Single : A 28 ASN : amide:sc= -1.83! C(o=-1.8!,f=-4.6!) USER MOD Single : A 33 LYS NZ :NH3+ 177:sc= 1.07 (180deg=1.03) USER MOD Single : A 34 LYS NZ :NH3+ -117:sc= 0.0447 (180deg=0) USER MOD Single : A 35 HIS :FLIP no HD1:sc= -0.138 F(o=-1.1,f=-0.14) USER MOD Single : A 39 GLN : amide:sc= 0.0356 K(o=0.036,f=-1) USER MOD Single : A 41 ASN : amide:sc= 0 K(o=0,f=-0.8) USER MOD Single : A 42 CYS SG : rot 130:sc= -0.443 USER MOD Single : A 45 THR OG1 : rot 180:sc= 0 USER MOD Single : A 47 HIS : +bothHN:sc= 1.74 K(o=1.7,f=-5.4!) USER MOD Single : A 48 THR OG1 : rot 180:sc= 0 USER MOD Single : A 51 GLN : amide:sc= 0 K(o=0,f=-0.82) USER MOD Single : A 52 SER OG : rot 137:sc= 0.179 USER MOD Single : A 53 SER OG : rot 180:sc= 0 USER MOD Single : A 57 THR OG1 : rot 180:sc= 0 USER MOD Single : A 64 GLN : amide:sc= 0 K(o=0,f=-0.69) USER MOD Single : A 66 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 69 CYS SG : rot 150:sc= -0.94 USER MOD Single : A 70 GLN : amide:sc= -0.222 K(o=-0.22,f=-1.5) USER MOD Single : A 74 ASN : amide:sc= -0.011 X(o=-0.011,f=-0.37) USER MOD Single : A 77 MET CE :methyl -124:sc= -0.158 (180deg=-0.603) USER MOD Single : A 78 SER OG : rot 180:sc= 0 USER MOD Single : A 80 MET CE :methyl -131:sc= 0 (180deg=-1.15) USER MOD Single : A 81 GLN : amide:sc= -0.6 K(o=-0.6,f=-1.8) USER MOD ----------------------------------------------------------------- ATOM 128 N VAL A 10 9.273 15.092 -11.329 1.00 0.00 N ATOM 129 CA VAL A 10 9.243 15.718 -10.011 1.00 0.00 C ATOM 130 C VAL A 10 8.391 16.985 -10.044 1.00 0.00 C ATOM 131 O VAL A 10 8.149 17.552 -11.111 1.00 0.00 O ATOM 132 CB VAL A 10 10.661 16.054 -9.527 1.00 0.00 C ATOM 133 CG1 VAL A 10 11.560 14.819 -9.480 1.00 0.00 C ATOM 134 CG2 VAL A 10 11.319 17.103 -10.426 1.00 0.00 C ATOM 0 HA VAL A 10 8.800 15.008 -9.312 1.00 0.00 H new ATOM 0 HB VAL A 10 10.551 16.449 -8.517 1.00 0.00 H new ATOM 0 HG11 VAL A 10 12.553 15.105 -9.132 1.00 0.00 H new ATOM 0 HG12 VAL A 10 11.134 14.084 -8.797 1.00 0.00 H new ATOM 0 HG13 VAL A 10 11.636 14.386 -10.477 1.00 0.00 H new ATOM 0 HG21 VAL A 10 12.322 17.320 -10.058 1.00 0.00 H new ATOM 0 HG22 VAL A 10 11.381 16.721 -11.445 1.00 0.00 H new ATOM 0 HG23 VAL A 10 10.723 18.016 -10.416 1.00 0.00 H new ATOM 144 N GLU A 11 7.934 17.428 -8.873 1.00 0.00 N ATOM 145 CA GLU A 11 7.159 18.650 -8.740 1.00 0.00 C ATOM 146 C GLU A 11 8.075 19.869 -8.817 1.00 0.00 C ATOM 147 O GLU A 11 9.258 19.763 -8.495 1.00 0.00 O ATOM 148 CB GLU A 11 6.408 18.608 -7.406 1.00 0.00 C ATOM 149 CG GLU A 11 5.506 19.822 -7.181 1.00 0.00 C ATOM 150 CD GLU A 11 4.436 20.009 -8.260 1.00 0.00 C ATOM 151 OE1 GLU A 11 3.807 21.088 -8.257 1.00 0.00 O ATOM 152 OE2 GLU A 11 4.246 19.083 -9.081 1.00 0.00 O ATOM 0 H GLU A 11 8.094 16.944 -7.990 1.00 0.00 H new ATOM 0 HA GLU A 11 6.440 18.728 -9.555 1.00 0.00 H new ATOM 0 HB2 GLU A 11 5.803 17.702 -7.366 1.00 0.00 H new ATOM 0 HB3 GLU A 11 7.130 18.545 -6.592 1.00 0.00 H new ATOM 0 HG2 GLU A 11 5.017 19.724 -6.212 1.00 0.00 H new ATOM 0 HG3 GLU A 11 6.124 20.719 -7.137 1.00 0.00 H new ATOM 159 N LYS A 12 7.538 21.019 -9.238 1.00 0.00 N ATOM 160 CA LYS A 12 8.304 22.257 -9.305 1.00 0.00 C ATOM 161 C LYS A 12 7.472 23.479 -8.931 1.00 0.00 C ATOM 162 O LYS A 12 6.281 23.547 -9.229 1.00 0.00 O ATOM 163 CB LYS A 12 8.927 22.441 -10.690 1.00 0.00 C ATOM 164 CG LYS A 12 10.307 21.793 -10.753 1.00 0.00 C ATOM 165 CD LYS A 12 10.972 22.070 -12.100 1.00 0.00 C ATOM 166 CE LYS A 12 12.413 21.565 -12.066 1.00 0.00 C ATOM 167 NZ LYS A 12 13.090 21.790 -13.357 1.00 0.00 N ATOM 0 H LYS A 12 6.568 21.113 -9.538 1.00 0.00 H new ATOM 0 HA LYS A 12 9.102 22.170 -8.567 1.00 0.00 H new ATOM 0 HB2 LYS A 12 8.278 22.000 -11.447 1.00 0.00 H new ATOM 0 HB3 LYS A 12 9.008 23.504 -10.919 1.00 0.00 H new ATOM 0 HG2 LYS A 12 10.932 22.178 -9.947 1.00 0.00 H new ATOM 0 HG3 LYS A 12 10.217 20.717 -10.601 1.00 0.00 H new ATOM 0 HD2 LYS A 12 10.420 21.575 -12.899 1.00 0.00 H new ATOM 0 HD3 LYS A 12 10.954 23.139 -12.314 1.00 0.00 H new ATOM 0 HE2 LYS A 12 12.960 22.074 -11.272 1.00 0.00 H new ATOM 0 HE3 LYS A 12 12.422 20.501 -11.828 1.00 0.00 H new ATOM 0 HZ1 LYS A 12 14.067 21.437 -13.303 1.00 0.00 H new ATOM 0 HZ2 LYS A 12 12.580 21.284 -14.109 1.00 0.00 H new ATOM 0 HZ3 LYS A 12 13.101 22.808 -13.570 1.00 0.00 H new ATOM 181 N ILE A 13 8.130 24.440 -8.276 1.00 0.00 N ATOM 182 CA ILE A 13 7.561 25.722 -7.883 1.00 0.00 C ATOM 183 C ILE A 13 8.638 26.791 -8.037 1.00 0.00 C ATOM 184 O ILE A 13 9.828 26.495 -7.908 1.00 0.00 O ATOM 185 CB ILE A 13 7.035 25.656 -6.440 1.00 0.00 C ATOM 186 CG1 ILE A 13 5.880 24.654 -6.327 1.00 0.00 C ATOM 187 CG2 ILE A 13 6.583 27.043 -5.970 1.00 0.00 C ATOM 188 CD1 ILE A 13 5.314 24.586 -4.906 1.00 0.00 C ATOM 0 H ILE A 13 9.106 24.338 -7.998 1.00 0.00 H new ATOM 0 HA ILE A 13 6.713 25.972 -8.521 1.00 0.00 H new ATOM 0 HB ILE A 13 7.848 25.317 -5.797 1.00 0.00 H new ATOM 0 HG12 ILE A 13 5.087 24.936 -7.020 1.00 0.00 H new ATOM 0 HG13 ILE A 13 6.228 23.665 -6.626 1.00 0.00 H new ATOM 0 HG21 ILE A 13 6.214 26.978 -4.947 1.00 0.00 H new ATOM 0 HG22 ILE A 13 7.426 27.733 -6.008 1.00 0.00 H new ATOM 0 HG23 ILE A 13 5.787 27.406 -6.620 1.00 0.00 H new ATOM 0 HD11 ILE A 13 4.498 23.864 -4.873 1.00 0.00 H new ATOM 0 HD12 ILE A 13 6.099 24.278 -4.216 1.00 0.00 H new ATOM 0 HD13 ILE A 13 4.941 25.568 -4.616 1.00 0.00 H new ATOM 200 N LYS A 14 8.231 28.034 -8.308 1.00 0.00 N ATOM 201 CA LYS A 14 9.146 29.155 -8.458 1.00 0.00 C ATOM 202 C LYS A 14 8.534 30.413 -7.857 1.00 0.00 C ATOM 203 O LYS A 14 7.342 30.667 -8.040 1.00 0.00 O ATOM 204 CB LYS A 14 9.493 29.332 -9.939 1.00 0.00 C ATOM 205 CG LYS A 14 10.439 30.515 -10.168 1.00 0.00 C ATOM 206 CD LYS A 14 10.773 30.623 -11.657 1.00 0.00 C ATOM 207 CE LYS A 14 11.791 31.733 -11.919 1.00 0.00 C ATOM 208 NZ LYS A 14 11.233 33.063 -11.597 1.00 0.00 N ATOM 0 H LYS A 14 7.250 28.286 -8.429 1.00 0.00 H new ATOM 0 HA LYS A 14 10.072 28.958 -7.918 1.00 0.00 H new ATOM 0 HB2 LYS A 14 9.956 28.419 -10.315 1.00 0.00 H new ATOM 0 HB3 LYS A 14 8.577 29.484 -10.511 1.00 0.00 H new ATOM 0 HG2 LYS A 14 9.974 31.438 -9.821 1.00 0.00 H new ATOM 0 HG3 LYS A 14 11.352 30.381 -9.589 1.00 0.00 H new ATOM 0 HD2 LYS A 14 11.169 29.672 -12.013 1.00 0.00 H new ATOM 0 HD3 LYS A 14 9.863 30.821 -12.223 1.00 0.00 H new ATOM 0 HE2 LYS A 14 12.685 31.557 -11.321 1.00 0.00 H new ATOM 0 HE3 LYS A 14 12.097 31.709 -12.965 1.00 0.00 H new ATOM 0 HZ1 LYS A 14 11.834 33.802 -12.015 1.00 0.00 H new ATOM 0 HZ2 LYS A 14 10.271 33.139 -11.985 1.00 0.00 H new ATOM 0 HZ3 LYS A 14 11.201 33.185 -10.565 1.00 0.00 H new ATOM 222 N GLN A 15 9.337 31.207 -7.145 1.00 0.00 N ATOM 223 CA GLN A 15 8.863 32.441 -6.536 1.00 0.00 C ATOM 224 C GLN A 15 10.016 33.409 -6.273 1.00 0.00 C ATOM 225 O GLN A 15 11.140 32.990 -6.021 1.00 0.00 O ATOM 226 CB GLN A 15 8.104 32.108 -5.245 1.00 0.00 C ATOM 227 CG GLN A 15 7.630 33.369 -4.514 1.00 0.00 C ATOM 228 CD GLN A 15 6.793 34.272 -5.419 1.00 0.00 C ATOM 229 OE1 GLN A 15 5.961 33.798 -6.188 1.00 0.00 O ATOM 230 NE2 GLN A 15 7.012 35.583 -5.340 1.00 0.00 N ATOM 0 H GLN A 15 10.324 31.011 -6.978 1.00 0.00 H new ATOM 0 HA GLN A 15 8.184 32.942 -7.226 1.00 0.00 H new ATOM 0 HB2 GLN A 15 7.244 31.482 -5.482 1.00 0.00 H new ATOM 0 HB3 GLN A 15 8.749 31.528 -4.585 1.00 0.00 H new ATOM 0 HG2 GLN A 15 7.042 33.083 -3.642 1.00 0.00 H new ATOM 0 HG3 GLN A 15 8.494 33.923 -4.148 1.00 0.00 H new ATOM 0 HE21 GLN A 15 7.710 35.945 -4.691 1.00 0.00 H new ATOM 0 HE22 GLN A 15 6.481 36.225 -5.929 1.00 0.00 H new ATOM 239 N TRP A 16 9.719 34.710 -6.332 1.00 0.00 N ATOM 240 CA TRP A 16 10.686 35.774 -6.106 1.00 0.00 C ATOM 241 C TRP A 16 10.671 36.238 -4.652 1.00 0.00 C ATOM 242 O TRP A 16 9.634 36.199 -3.994 1.00 0.00 O ATOM 243 CB TRP A 16 10.335 36.949 -7.020 1.00 0.00 C ATOM 244 CG TRP A 16 10.305 36.637 -8.481 1.00 0.00 C ATOM 245 CD1 TRP A 16 9.289 36.030 -9.129 1.00 0.00 C ATOM 246 CD2 TRP A 16 11.341 36.856 -9.484 1.00 0.00 C ATOM 247 NE1 TRP A 16 9.615 35.869 -10.460 1.00 0.00 N ATOM 248 CE2 TRP A 16 10.866 36.378 -10.739 1.00 0.00 C ATOM 249 CE3 TRP A 16 12.623 37.439 -9.467 1.00 0.00 C ATOM 250 CZ2 TRP A 16 11.622 36.475 -11.915 1.00 0.00 C ATOM 251 CZ3 TRP A 16 13.386 37.543 -10.639 1.00 0.00 C ATOM 252 CH2 TRP A 16 12.891 37.064 -11.862 1.00 0.00 C ATOM 0 H TRP A 16 8.782 35.054 -6.542 1.00 0.00 H new ATOM 0 HA TRP A 16 11.685 35.397 -6.327 1.00 0.00 H new ATOM 0 HB2 TRP A 16 9.359 37.336 -6.728 1.00 0.00 H new ATOM 0 HB3 TRP A 16 11.057 37.747 -6.851 1.00 0.00 H new ATOM 0 HD1 TRP A 16 8.361 35.717 -8.674 1.00 0.00 H new ATOM 0 HE1 TRP A 16 9.007 35.429 -11.151 1.00 0.00 H new ATOM 0 HE3 TRP A 16 13.025 37.812 -8.536 1.00 0.00 H new ATOM 0 HZ2 TRP A 16 11.231 36.100 -12.849 1.00 0.00 H new ATOM 0 HZ3 TRP A 16 14.365 37.997 -10.600 1.00 0.00 H new ATOM 0 HH2 TRP A 16 13.487 37.149 -12.759 1.00 0.00 H new ATOM 263 N ILE A 17 11.831 36.683 -4.163 1.00 0.00 N ATOM 264 CA ILE A 17 11.964 37.332 -2.865 1.00 0.00 C ATOM 265 C ILE A 17 12.912 38.516 -3.058 1.00 0.00 C ATOM 266 O ILE A 17 13.826 38.437 -3.880 1.00 0.00 O ATOM 267 CB ILE A 17 12.481 36.351 -1.791 1.00 0.00 C ATOM 268 CG1 ILE A 17 14.012 36.247 -1.801 1.00 0.00 C ATOM 269 CG2 ILE A 17 11.837 34.966 -1.918 1.00 0.00 C ATOM 270 CD1 ILE A 17 14.512 35.282 -0.725 1.00 0.00 C ATOM 0 H ILE A 17 12.714 36.600 -4.667 1.00 0.00 H new ATOM 0 HA ILE A 17 10.995 37.676 -2.504 1.00 0.00 H new ATOM 0 HB ILE A 17 12.183 36.763 -0.827 1.00 0.00 H new ATOM 0 HG12 ILE A 17 14.349 35.908 -2.781 1.00 0.00 H new ATOM 0 HG13 ILE A 17 14.446 37.233 -1.638 1.00 0.00 H new ATOM 0 HG21 ILE A 17 12.231 34.309 -1.142 1.00 0.00 H new ATOM 0 HG22 ILE A 17 10.757 35.055 -1.804 1.00 0.00 H new ATOM 0 HG23 ILE A 17 12.065 34.547 -2.898 1.00 0.00 H new ATOM 0 HD11 ILE A 17 15.600 35.231 -0.759 1.00 0.00 H new ATOM 0 HD12 ILE A 17 14.196 35.636 0.256 1.00 0.00 H new ATOM 0 HD13 ILE A 17 14.097 34.290 -0.904 1.00 0.00 H new ATOM 282 N PRO A 18 12.714 39.612 -2.319 1.00 0.00 N ATOM 283 CA PRO A 18 13.540 40.800 -2.433 1.00 0.00 C ATOM 284 C PRO A 18 14.973 40.480 -2.015 1.00 0.00 C ATOM 285 O PRO A 18 15.197 39.687 -1.102 1.00 0.00 O ATOM 286 CB PRO A 18 12.898 41.837 -1.511 1.00 0.00 C ATOM 287 CG PRO A 18 12.172 40.976 -0.478 1.00 0.00 C ATOM 288 CD PRO A 18 11.694 39.789 -1.304 1.00 0.00 C ATOM 0 HA PRO A 18 13.594 41.174 -3.455 1.00 0.00 H new ATOM 0 HB2 PRO A 18 13.645 42.481 -1.046 1.00 0.00 H new ATOM 0 HB3 PRO A 18 12.209 42.486 -2.051 1.00 0.00 H new ATOM 0 HG2 PRO A 18 12.836 40.666 0.329 1.00 0.00 H new ATOM 0 HG3 PRO A 18 11.340 41.510 -0.019 1.00 0.00 H new ATOM 0 HD2 PRO A 18 11.588 38.895 -0.689 1.00 0.00 H new ATOM 0 HD3 PRO A 18 10.720 39.985 -1.752 1.00 0.00 H new ATOM 296 N THR A 19 15.951 41.096 -2.685 1.00 0.00 N ATOM 297 CA THR A 19 17.362 40.823 -2.432 1.00 0.00 C ATOM 298 C THR A 19 17.849 41.113 -1.016 1.00 0.00 C ATOM 299 O THR A 19 18.901 40.627 -0.606 1.00 0.00 O ATOM 300 CB THR A 19 18.266 41.424 -3.513 1.00 0.00 C ATOM 301 OG1 THR A 19 17.566 41.525 -4.734 1.00 0.00 O ATOM 302 CG2 THR A 19 19.516 40.569 -3.721 1.00 0.00 C ATOM 0 H THR A 19 15.786 41.792 -3.412 1.00 0.00 H new ATOM 0 HA THR A 19 17.443 39.738 -2.502 1.00 0.00 H new ATOM 0 HB THR A 19 18.569 42.417 -3.179 1.00 0.00 H new ATOM 0 HG1 THR A 19 18.153 41.912 -5.417 1.00 0.00 H new ATOM 0 HG21 THR A 19 20.140 41.019 -4.494 1.00 0.00 H new ATOM 0 HG22 THR A 19 20.077 40.513 -2.788 1.00 0.00 H new ATOM 0 HG23 THR A 19 19.223 39.565 -4.030 1.00 0.00 H new ATOM 310 N THR A 20 17.081 41.904 -0.258 1.00 0.00 N ATOM 311 CA THR A 20 17.390 42.188 1.136 1.00 0.00 C ATOM 312 C THR A 20 17.025 41.056 2.096 1.00 0.00 C ATOM 313 O THR A 20 17.437 41.061 3.253 1.00 0.00 O ATOM 314 CB THR A 20 16.789 43.533 1.553 1.00 0.00 C ATOM 315 OG1 THR A 20 17.461 44.016 2.698 1.00 0.00 O ATOM 316 CG2 THR A 20 15.304 43.402 1.885 1.00 0.00 C ATOM 0 H THR A 20 16.234 42.360 -0.597 1.00 0.00 H new ATOM 0 HA THR A 20 18.475 42.262 1.209 1.00 0.00 H new ATOM 0 HB THR A 20 16.904 44.222 0.716 1.00 0.00 H new ATOM 0 HG1 THR A 20 17.622 43.276 3.319 1.00 0.00 H new ATOM 0 HG21 THR A 20 14.909 44.375 2.177 1.00 0.00 H new ATOM 0 HG22 THR A 20 14.766 43.040 1.009 1.00 0.00 H new ATOM 0 HG23 THR A 20 15.176 42.697 2.706 1.00 0.00 H new ATOM 324 N GLU A 21 16.250 40.077 1.615 1.00 0.00 N ATOM 325 CA GLU A 21 15.835 38.938 2.424 1.00 0.00 C ATOM 326 C GLU A 21 16.594 37.669 2.034 1.00 0.00 C ATOM 327 O GLU A 21 16.491 36.653 2.720 1.00 0.00 O ATOM 328 CB GLU A 21 14.327 38.719 2.287 1.00 0.00 C ATOM 329 CG GLU A 21 13.504 39.912 2.787 1.00 0.00 C ATOM 330 CD GLU A 21 13.661 40.167 4.286 1.00 0.00 C ATOM 331 OE1 GLU A 21 14.230 39.291 4.977 1.00 0.00 O ATOM 332 OE2 GLU A 21 13.208 41.243 4.738 1.00 0.00 O ATOM 0 H GLU A 21 15.897 40.057 0.658 1.00 0.00 H new ATOM 0 HA GLU A 21 16.072 39.159 3.465 1.00 0.00 H new ATOM 0 HB2 GLU A 21 14.086 38.530 1.241 1.00 0.00 H new ATOM 0 HB3 GLU A 21 14.042 37.828 2.846 1.00 0.00 H new ATOM 0 HG2 GLU A 21 13.803 40.806 2.240 1.00 0.00 H new ATOM 0 HG3 GLU A 21 12.452 39.738 2.563 1.00 0.00 H new ATOM 339 N VAL A 22 17.359 37.707 0.937 1.00 0.00 N ATOM 340 CA VAL A 22 18.137 36.546 0.508 1.00 0.00 C ATOM 341 C VAL A 22 19.208 36.232 1.549 1.00 0.00 C ATOM 342 O VAL A 22 19.668 35.096 1.644 1.00 0.00 O ATOM 343 CB VAL A 22 18.765 36.830 -0.861 1.00 0.00 C ATOM 344 CG1 VAL A 22 19.656 35.679 -1.326 1.00 0.00 C ATOM 345 CG2 VAL A 22 17.674 37.044 -1.910 1.00 0.00 C ATOM 0 H VAL A 22 17.454 38.525 0.335 1.00 0.00 H new ATOM 0 HA VAL A 22 17.486 35.677 0.415 1.00 0.00 H new ATOM 0 HB VAL A 22 19.373 37.728 -0.751 1.00 0.00 H new ATOM 0 HG11 VAL A 22 20.082 35.919 -2.300 1.00 0.00 H new ATOM 0 HG12 VAL A 22 20.460 35.527 -0.606 1.00 0.00 H new ATOM 0 HG13 VAL A 22 19.062 34.768 -1.404 1.00 0.00 H new ATOM 0 HG21 VAL A 22 18.134 37.245 -2.878 1.00 0.00 H new ATOM 0 HG22 VAL A 22 17.056 36.149 -1.981 1.00 0.00 H new ATOM 0 HG23 VAL A 22 17.052 37.891 -1.621 1.00 0.00 H new ATOM 355 N GLY A 23 19.612 37.236 2.334 1.00 0.00 N ATOM 356 CA GLY A 23 20.626 37.066 3.362 1.00 0.00 C ATOM 357 C GLY A 23 20.123 36.215 4.526 1.00 0.00 C ATOM 358 O GLY A 23 20.928 35.747 5.325 1.00 0.00 O ATOM 0 H GLY A 23 19.242 38.184 2.270 1.00 0.00 H new ATOM 0 HA2 GLY A 23 21.509 36.599 2.926 1.00 0.00 H new ATOM 0 HA3 GLY A 23 20.933 38.044 3.734 1.00 0.00 H new ATOM 362 N LYS A 24 18.807 36.001 4.638 1.00 0.00 N ATOM 363 CA LYS A 24 18.255 35.150 5.684 1.00 0.00 C ATOM 364 C LYS A 24 18.296 33.683 5.273 1.00 0.00 C ATOM 365 O LYS A 24 18.304 32.809 6.135 1.00 0.00 O ATOM 366 CB LYS A 24 16.815 35.558 6.009 1.00 0.00 C ATOM 367 CG LYS A 24 16.726 36.795 6.911 1.00 0.00 C ATOM 368 CD LYS A 24 17.258 38.054 6.226 1.00 0.00 C ATOM 369 CE LYS A 24 17.030 39.294 7.092 1.00 0.00 C ATOM 370 NZ LYS A 24 15.597 39.523 7.350 1.00 0.00 N ATOM 0 H LYS A 24 18.109 36.408 4.015 1.00 0.00 H new ATOM 0 HA LYS A 24 18.869 35.279 6.575 1.00 0.00 H new ATOM 0 HB2 LYS A 24 16.282 35.755 5.079 1.00 0.00 H new ATOM 0 HB3 LYS A 24 16.309 34.724 6.496 1.00 0.00 H new ATOM 0 HG2 LYS A 24 15.688 36.954 7.203 1.00 0.00 H new ATOM 0 HG3 LYS A 24 17.291 36.616 7.826 1.00 0.00 H new ATOM 0 HD2 LYS A 24 18.323 37.939 6.024 1.00 0.00 H new ATOM 0 HD3 LYS A 24 16.764 38.184 5.263 1.00 0.00 H new ATOM 0 HE2 LYS A 24 17.556 39.178 8.039 1.00 0.00 H new ATOM 0 HE3 LYS A 24 17.455 40.167 6.596 1.00 0.00 H new ATOM 0 HZ1 LYS A 24 15.434 40.534 7.532 1.00 0.00 H new ATOM 0 HZ2 LYS A 24 15.043 39.227 6.521 1.00 0.00 H new ATOM 0 HZ3 LYS A 24 15.301 38.970 8.179 1.00 0.00 H new ATOM 384 N ILE A 25 18.324 33.410 3.963 1.00 0.00 N ATOM 385 CA ILE A 25 18.319 32.044 3.456 1.00 0.00 C ATOM 386 C ILE A 25 19.745 31.532 3.231 1.00 0.00 C ATOM 387 O ILE A 25 20.001 30.344 3.414 1.00 0.00 O ATOM 388 CB ILE A 25 17.521 31.979 2.146 1.00 0.00 C ATOM 389 CG1 ILE A 25 16.128 32.608 2.310 1.00 0.00 C ATOM 390 CG2 ILE A 25 17.407 30.520 1.697 1.00 0.00 C ATOM 391 CD1 ILE A 25 15.302 32.497 1.029 1.00 0.00 C ATOM 0 H ILE A 25 18.350 34.125 3.236 1.00 0.00 H new ATOM 0 HA ILE A 25 17.846 31.404 4.200 1.00 0.00 H new ATOM 0 HB ILE A 25 18.048 32.553 1.384 1.00 0.00 H new ATOM 0 HG12 ILE A 25 15.600 32.115 3.127 1.00 0.00 H new ATOM 0 HG13 ILE A 25 16.233 33.657 2.585 1.00 0.00 H new ATOM 0 HG21 ILE A 25 16.841 30.469 0.767 1.00 0.00 H new ATOM 0 HG22 ILE A 25 18.404 30.109 1.538 1.00 0.00 H new ATOM 0 HG23 ILE A 25 16.895 29.942 2.466 1.00 0.00 H new ATOM 0 HD11 ILE A 25 14.324 32.953 1.186 1.00 0.00 H new ATOM 0 HD12 ILE A 25 15.817 33.012 0.218 1.00 0.00 H new ATOM 0 HD13 ILE A 25 15.175 31.446 0.768 1.00 0.00 H new ATOM 403 N LEU A 26 20.670 32.412 2.835 1.00 0.00 N ATOM 404 CA LEU A 26 22.018 32.026 2.430 1.00 0.00 C ATOM 405 C LEU A 26 23.114 32.660 3.287 1.00 0.00 C ATOM 406 O LEU A 26 24.295 32.414 3.047 1.00 0.00 O ATOM 407 CB LEU A 26 22.233 32.414 0.962 1.00 0.00 C ATOM 408 CG LEU A 26 21.125 31.912 0.030 1.00 0.00 C ATOM 409 CD1 LEU A 26 21.424 32.415 -1.378 1.00 0.00 C ATOM 410 CD2 LEU A 26 21.078 30.387 0.025 1.00 0.00 C ATOM 0 H LEU A 26 20.500 33.417 2.787 1.00 0.00 H new ATOM 0 HA LEU A 26 22.095 30.948 2.568 1.00 0.00 H new ATOM 0 HB2 LEU A 26 22.297 33.500 0.887 1.00 0.00 H new ATOM 0 HB3 LEU A 26 23.190 32.015 0.625 1.00 0.00 H new ATOM 0 HG LEU A 26 20.160 32.283 0.376 1.00 0.00 H new ATOM 0 HD11 LEU A 26 20.647 32.070 -2.060 1.00 0.00 H new ATOM 0 HD12 LEU A 26 21.448 33.505 -1.378 1.00 0.00 H new ATOM 0 HD13 LEU A 26 22.391 32.031 -1.704 1.00 0.00 H new ATOM 0 HD21 LEU A 26 20.285 30.050 -0.642 1.00 0.00 H new ATOM 0 HD22 LEU A 26 22.034 29.995 -0.320 1.00 0.00 H new ATOM 0 HD23 LEU A 26 20.881 30.026 1.034 1.00 0.00 H new ATOM 422 N GLY A 27 22.744 33.472 4.279 1.00 0.00 N ATOM 423 CA GLY A 27 23.701 34.229 5.079 1.00 0.00 C ATOM 424 C GLY A 27 24.446 33.386 6.113 1.00 0.00 C ATOM 425 O GLY A 27 25.215 33.926 6.904 1.00 0.00 O ATOM 0 H GLY A 27 21.772 33.621 4.548 1.00 0.00 H new ATOM 0 HA2 GLY A 27 24.427 34.696 4.414 1.00 0.00 H new ATOM 0 HA3 GLY A 27 23.175 35.034 5.592 1.00 0.00 H new ATOM 429 N ASN A 28 24.224 32.068 6.116 1.00 0.00 N ATOM 430 CA ASN A 28 24.820 31.165 7.086 1.00 0.00 C ATOM 431 C ASN A 28 25.130 29.806 6.458 1.00 0.00 C ATOM 432 O ASN A 28 24.734 28.766 6.983 1.00 0.00 O ATOM 433 CB ASN A 28 23.914 31.045 8.318 1.00 0.00 C ATOM 434 CG ASN A 28 22.464 30.739 7.956 1.00 0.00 C ATOM 435 OD1 ASN A 28 22.163 30.234 6.878 1.00 0.00 O ATOM 436 ND2 ASN A 28 21.549 31.049 8.873 1.00 0.00 N ATOM 0 H ASN A 28 23.621 31.602 5.438 1.00 0.00 H new ATOM 0 HA ASN A 28 25.774 31.578 7.415 1.00 0.00 H new ATOM 0 HB2 ASN A 28 24.295 30.258 8.969 1.00 0.00 H new ATOM 0 HB3 ASN A 28 23.954 31.975 8.885 1.00 0.00 H new ATOM 0 HD21 ASN A 28 20.562 30.868 8.690 1.00 0.00 H new ATOM 0 HD22 ASN A 28 21.835 31.468 9.758 1.00 0.00 H new ATOM 443 N ARG A 29 25.841 29.822 5.326 1.00 0.00 N ATOM 444 CA ARG A 29 26.147 28.616 4.558 1.00 0.00 C ATOM 445 C ARG A 29 24.866 27.879 4.173 1.00 0.00 C ATOM 446 O ARG A 29 24.854 26.653 4.066 1.00 0.00 O ATOM 447 CB ARG A 29 27.138 27.718 5.312 1.00 0.00 C ATOM 448 CG ARG A 29 28.416 28.460 5.711 1.00 0.00 C ATOM 449 CD ARG A 29 29.152 29.010 4.490 1.00 0.00 C ATOM 450 NE ARG A 29 30.403 29.671 4.886 1.00 0.00 N ATOM 451 CZ ARG A 29 31.602 29.080 4.902 1.00 0.00 C ATOM 452 NH1 ARG A 29 31.740 27.801 4.563 1.00 0.00 N ATOM 453 NH2 ARG A 29 32.679 29.776 5.259 1.00 0.00 N ATOM 0 H ARG A 29 26.221 30.676 4.917 1.00 0.00 H new ATOM 0 HA ARG A 29 26.636 28.911 3.630 1.00 0.00 H new ATOM 0 HB2 ARG A 29 26.657 27.323 6.207 1.00 0.00 H new ATOM 0 HB3 ARG A 29 27.398 26.864 4.686 1.00 0.00 H new ATOM 0 HG2 ARG A 29 28.166 29.279 6.385 1.00 0.00 H new ATOM 0 HG3 ARG A 29 29.073 27.785 6.259 1.00 0.00 H new ATOM 0 HD2 ARG A 29 29.369 28.199 3.795 1.00 0.00 H new ATOM 0 HD3 ARG A 29 28.512 29.718 3.963 1.00 0.00 H new ATOM 0 HE ARG A 29 30.353 30.650 5.169 1.00 0.00 H new ATOM 0 HH11 ARG A 29 30.924 27.256 4.285 1.00 0.00 H new ATOM 0 HH12 ARG A 29 32.662 27.365 4.581 1.00 0.00 H new ATOM 0 HH21 ARG A 29 32.588 30.758 5.520 1.00 0.00 H new ATOM 0 HH22 ARG A 29 33.595 29.327 5.272 1.00 0.00 H new ATOM 467 N ALA A 30 23.789 28.645 3.966 1.00 0.00 N ATOM 468 CA ALA A 30 22.477 28.135 3.609 1.00 0.00 C ATOM 469 C ALA A 30 21.940 27.106 4.603 1.00 0.00 C ATOM 470 O ALA A 30 21.193 26.203 4.226 1.00 0.00 O ATOM 471 CB ALA A 30 22.491 27.634 2.165 1.00 0.00 C ATOM 0 H ALA A 30 23.815 29.662 4.046 1.00 0.00 H new ATOM 0 HA ALA A 30 21.766 28.959 3.670 1.00 0.00 H new ATOM 0 HB1 ALA A 30 21.504 27.253 1.903 1.00 0.00 H new ATOM 0 HB2 ALA A 30 22.752 28.455 1.497 1.00 0.00 H new ATOM 0 HB3 ALA A 30 23.227 26.836 2.064 1.00 0.00 H new ATOM 477 N ALA A 31 22.317 27.231 5.880 1.00 0.00 N ATOM 478 CA ALA A 31 21.890 26.295 6.909 1.00 0.00 C ATOM 479 C ALA A 31 20.369 26.248 7.014 1.00 0.00 C ATOM 480 O ALA A 31 19.801 25.195 7.293 1.00 0.00 O ATOM 481 CB ALA A 31 22.472 26.740 8.249 1.00 0.00 C ATOM 0 H ALA A 31 22.921 27.979 6.221 1.00 0.00 H new ATOM 0 HA ALA A 31 22.246 25.299 6.646 1.00 0.00 H new ATOM 0 HB1 ALA A 31 22.159 26.047 9.030 1.00 0.00 H new ATOM 0 HB2 ALA A 31 23.560 26.751 8.187 1.00 0.00 H new ATOM 0 HB3 ALA A 31 22.112 27.741 8.488 1.00 0.00 H new ATOM 487 N VAL A 32 19.703 27.385 6.791 1.00 0.00 N ATOM 488 CA VAL A 32 18.252 27.448 6.878 1.00 0.00 C ATOM 489 C VAL A 32 17.551 26.767 5.708 1.00 0.00 C ATOM 490 O VAL A 32 16.489 26.177 5.878 1.00 0.00 O ATOM 491 CB VAL A 32 17.755 28.878 7.111 1.00 0.00 C ATOM 492 CG1 VAL A 32 18.801 29.753 7.803 1.00 0.00 C ATOM 493 CG2 VAL A 32 17.335 29.543 5.804 1.00 0.00 C ATOM 0 H VAL A 32 20.150 28.270 6.550 1.00 0.00 H new ATOM 0 HA VAL A 32 17.974 26.869 7.759 1.00 0.00 H new ATOM 0 HB VAL A 32 16.890 28.790 7.768 1.00 0.00 H new ATOM 0 HG11 VAL A 32 18.400 30.756 7.945 1.00 0.00 H new ATOM 0 HG12 VAL A 32 19.052 29.322 8.772 1.00 0.00 H new ATOM 0 HG13 VAL A 32 19.698 29.805 7.186 1.00 0.00 H new ATOM 0 HG21 VAL A 32 16.988 30.556 6.006 1.00 0.00 H new ATOM 0 HG22 VAL A 32 18.187 29.580 5.125 1.00 0.00 H new ATOM 0 HG23 VAL A 32 16.530 28.968 5.346 1.00 0.00 H new ATOM 503 N LYS A 33 18.153 26.851 4.519 1.00 0.00 N ATOM 504 CA LYS A 33 17.594 26.224 3.331 1.00 0.00 C ATOM 505 C LYS A 33 17.714 24.712 3.460 1.00 0.00 C ATOM 506 O LYS A 33 16.776 23.987 3.145 1.00 0.00 O ATOM 507 CB LYS A 33 18.339 26.734 2.095 1.00 0.00 C ATOM 508 CG LYS A 33 17.678 26.229 0.811 1.00 0.00 C ATOM 509 CD LYS A 33 18.419 26.745 -0.421 1.00 0.00 C ATOM 510 CE LYS A 33 19.783 26.077 -0.585 1.00 0.00 C ATOM 511 NZ LYS A 33 19.645 24.645 -0.916 1.00 0.00 N ATOM 0 H LYS A 33 19.029 27.349 4.359 1.00 0.00 H new ATOM 0 HA LYS A 33 16.539 26.478 3.227 1.00 0.00 H new ATOM 0 HB2 LYS A 33 18.352 27.824 2.097 1.00 0.00 H new ATOM 0 HB3 LYS A 33 19.377 26.403 2.129 1.00 0.00 H new ATOM 0 HG2 LYS A 33 17.670 25.139 0.806 1.00 0.00 H new ATOM 0 HG3 LYS A 33 16.639 26.556 0.779 1.00 0.00 H new ATOM 0 HD2 LYS A 33 17.816 26.563 -1.310 1.00 0.00 H new ATOM 0 HD3 LYS A 33 18.550 27.824 -0.341 1.00 0.00 H new ATOM 0 HE2 LYS A 33 20.345 26.581 -1.371 1.00 0.00 H new ATOM 0 HE3 LYS A 33 20.356 26.186 0.336 1.00 0.00 H new ATOM 0 HZ1 LYS A 33 20.587 24.232 -1.071 1.00 0.00 H new ATOM 0 HZ2 LYS A 33 19.175 24.151 -0.131 1.00 0.00 H new ATOM 0 HZ3 LYS A 33 19.076 24.542 -1.780 1.00 0.00 H new ATOM 525 N LYS A 34 18.873 24.241 3.926 1.00 0.00 N ATOM 526 CA LYS A 34 19.124 22.814 4.105 1.00 0.00 C ATOM 527 C LYS A 34 18.279 22.234 5.238 1.00 0.00 C ATOM 528 O LYS A 34 18.025 21.033 5.256 1.00 0.00 O ATOM 529 CB LYS A 34 20.618 22.592 4.365 1.00 0.00 C ATOM 530 CG LYS A 34 21.429 22.968 3.120 1.00 0.00 C ATOM 531 CD LYS A 34 22.929 22.758 3.332 1.00 0.00 C ATOM 532 CE LYS A 34 23.459 23.674 4.434 1.00 0.00 C ATOM 533 NZ LYS A 34 24.919 23.533 4.588 1.00 0.00 N ATOM 0 H LYS A 34 19.658 24.837 4.188 1.00 0.00 H new ATOM 0 HA LYS A 34 18.835 22.291 3.194 1.00 0.00 H new ATOM 0 HB2 LYS A 34 20.941 23.194 5.215 1.00 0.00 H new ATOM 0 HB3 LYS A 34 20.799 21.549 4.626 1.00 0.00 H new ATOM 0 HG2 LYS A 34 21.094 22.368 2.274 1.00 0.00 H new ATOM 0 HG3 LYS A 34 21.241 24.011 2.865 1.00 0.00 H new ATOM 0 HD2 LYS A 34 23.121 21.718 3.595 1.00 0.00 H new ATOM 0 HD3 LYS A 34 23.463 22.955 2.402 1.00 0.00 H new ATOM 0 HE2 LYS A 34 23.214 24.710 4.199 1.00 0.00 H new ATOM 0 HE3 LYS A 34 22.966 23.436 5.377 1.00 0.00 H new ATOM 0 HZ1 LYS A 34 25.134 23.167 5.538 1.00 0.00 H new ATOM 0 HZ2 LYS A 34 25.281 22.871 3.872 1.00 0.00 H new ATOM 0 HZ3 LYS A 34 25.372 24.461 4.463 1.00 0.00 H new ATOM 547 N HIS A 35 17.838 23.078 6.177 1.00 0.00 N ATOM 548 CA HIS A 35 16.947 22.638 7.241 1.00 0.00 C ATOM 549 C HIS A 35 15.547 22.381 6.689 1.00 0.00 C ATOM 550 O HIS A 35 14.891 21.429 7.101 1.00 0.00 O ATOM 551 CB HIS A 35 16.891 23.702 8.336 1.00 0.00 C ATOM 552 CG HIS A 35 15.879 23.363 9.400 1.00 0.00 C ATOM 553 ND1 HIS A 35 14.564 23.737 9.400 1.00 0.00 N flip ATOM 554 CD2 HIS A 35 16.107 22.615 10.540 1.00 0.00 C flip ATOM 555 CE1 HIS A 35 13.996 23.209 10.543 1.00 0.00 C flip ATOM 556 NE2 HIS A 35 14.947 22.535 11.222 1.00 0.00 N flip ATOM 0 H HIS A 35 18.086 24.067 6.217 1.00 0.00 H new ATOM 0 HA HIS A 35 17.330 21.708 7.662 1.00 0.00 H new ATOM 0 HB2 HIS A 35 17.876 23.806 8.792 1.00 0.00 H new ATOM 0 HB3 HIS A 35 16.642 24.666 7.893 1.00 0.00 H new ATOM 0 HD2 HIS A 35 17.048 22.173 10.832 1.00 0.00 H new ATOM 0 HE1 HIS A 35 12.964 23.318 10.843 1.00 0.00 H new ATOM 0 HE2 HIS A 35 14.811 22.045 12.106 1.00 0.00 H new ATOM 565 N ILE A 36 15.076 23.221 5.762 1.00 0.00 N ATOM 566 CA ILE A 36 13.753 23.041 5.176 1.00 0.00 C ATOM 567 C ILE A 36 13.738 21.810 4.270 1.00 0.00 C ATOM 568 O ILE A 36 12.704 21.159 4.126 1.00 0.00 O ATOM 569 CB ILE A 36 13.354 24.315 4.415 1.00 0.00 C ATOM 570 CG1 ILE A 36 13.215 25.478 5.407 1.00 0.00 C ATOM 571 CG2 ILE A 36 12.034 24.120 3.659 1.00 0.00 C ATOM 572 CD1 ILE A 36 13.135 26.828 4.695 1.00 0.00 C ATOM 0 H ILE A 36 15.591 24.026 5.406 1.00 0.00 H new ATOM 0 HA ILE A 36 13.020 22.872 5.965 1.00 0.00 H new ATOM 0 HB ILE A 36 14.132 24.538 3.685 1.00 0.00 H new ATOM 0 HG12 ILE A 36 12.320 25.333 6.013 1.00 0.00 H new ATOM 0 HG13 ILE A 36 14.065 25.477 6.089 1.00 0.00 H new ATOM 0 HG21 ILE A 36 11.778 25.038 3.131 1.00 0.00 H new ATOM 0 HG22 ILE A 36 12.142 23.307 2.941 1.00 0.00 H new ATOM 0 HG23 ILE A 36 11.242 23.876 4.367 1.00 0.00 H new ATOM 0 HD11 ILE A 36 13.037 27.624 5.434 1.00 0.00 H new ATOM 0 HD12 ILE A 36 14.041 26.985 4.110 1.00 0.00 H new ATOM 0 HD13 ILE A 36 12.269 26.839 4.033 1.00 0.00 H new ATOM 584 N GLU A 37 14.881 21.480 3.657 1.00 0.00 N ATOM 585 CA GLU A 37 14.987 20.329 2.775 1.00 0.00 C ATOM 586 C GLU A 37 14.868 19.009 3.535 1.00 0.00 C ATOM 587 O GLU A 37 14.350 18.038 2.986 1.00 0.00 O ATOM 588 CB GLU A 37 16.320 20.388 2.031 1.00 0.00 C ATOM 589 CG GLU A 37 16.322 21.541 1.026 1.00 0.00 C ATOM 590 CD GLU A 37 17.690 21.740 0.374 1.00 0.00 C ATOM 591 OE1 GLU A 37 17.773 22.622 -0.508 1.00 0.00 O ATOM 592 OE2 GLU A 37 18.638 21.018 0.755 1.00 0.00 O ATOM 0 H GLU A 37 15.749 22.005 3.762 1.00 0.00 H new ATOM 0 HA GLU A 37 14.159 20.368 2.067 1.00 0.00 H new ATOM 0 HB2 GLU A 37 17.135 20.517 2.743 1.00 0.00 H new ATOM 0 HB3 GLU A 37 16.496 19.445 1.512 1.00 0.00 H new ATOM 0 HG2 GLU A 37 15.578 21.347 0.253 1.00 0.00 H new ATOM 0 HG3 GLU A 37 16.025 22.460 1.531 1.00 0.00 H new ATOM 599 N ARG A 38 15.334 18.950 4.786 1.00 0.00 N ATOM 600 CA ARG A 38 15.207 17.740 5.596 1.00 0.00 C ATOM 601 C ARG A 38 13.899 17.754 6.387 1.00 0.00 C ATOM 602 O ARG A 38 13.498 16.728 6.937 1.00 0.00 O ATOM 603 CB ARG A 38 16.417 17.595 6.524 1.00 0.00 C ATOM 604 CG ARG A 38 16.504 18.733 7.544 1.00 0.00 C ATOM 605 CD ARG A 38 17.692 18.519 8.483 1.00 0.00 C ATOM 606 NE ARG A 38 17.561 17.271 9.250 1.00 0.00 N ATOM 607 CZ ARG A 38 16.837 17.139 10.369 1.00 0.00 C ATOM 608 NH1 ARG A 38 16.154 18.166 10.870 1.00 0.00 N ATOM 609 NH2 ARG A 38 16.795 15.964 10.991 1.00 0.00 N ATOM 0 H ARG A 38 15.801 19.725 5.257 1.00 0.00 H new ATOM 0 HA ARG A 38 15.182 16.875 4.933 1.00 0.00 H new ATOM 0 HB2 ARG A 38 16.357 16.642 7.050 1.00 0.00 H new ATOM 0 HB3 ARG A 38 17.329 17.573 5.928 1.00 0.00 H new ATOM 0 HG2 ARG A 38 16.609 19.686 7.026 1.00 0.00 H new ATOM 0 HG3 ARG A 38 15.581 18.784 8.121 1.00 0.00 H new ATOM 0 HD2 ARG A 38 18.615 18.495 7.903 1.00 0.00 H new ATOM 0 HD3 ARG A 38 17.770 19.362 9.170 1.00 0.00 H new ATOM 0 HE ARG A 38 18.056 16.448 8.906 1.00 0.00 H new ATOM 0 HH11 ARG A 38 16.177 19.071 10.401 1.00 0.00 H new ATOM 0 HH12 ARG A 38 15.608 18.048 11.723 1.00 0.00 H new ATOM 0 HH21 ARG A 38 17.313 15.169 10.615 1.00 0.00 H new ATOM 0 HH22 ARG A 38 16.245 15.858 11.844 1.00 0.00 H new ATOM 623 N GLN A 39 13.228 18.908 6.449 1.00 0.00 N ATOM 624 CA GLN A 39 11.953 19.056 7.130 1.00 0.00 C ATOM 625 C GLN A 39 10.803 18.552 6.257 1.00 0.00 C ATOM 626 O GLN A 39 9.784 18.098 6.774 1.00 0.00 O ATOM 627 CB GLN A 39 11.769 20.539 7.464 1.00 0.00 C ATOM 628 CG GLN A 39 10.385 20.840 8.040 1.00 0.00 C ATOM 629 CD GLN A 39 10.260 22.297 8.480 1.00 0.00 C ATOM 630 OE1 GLN A 39 11.248 22.955 8.796 1.00 0.00 O ATOM 631 NE2 GLN A 39 9.037 22.816 8.499 1.00 0.00 N ATOM 0 H GLN A 39 13.564 19.771 6.021 1.00 0.00 H new ATOM 0 HA GLN A 39 11.947 18.460 8.042 1.00 0.00 H new ATOM 0 HB2 GLN A 39 12.532 20.845 8.180 1.00 0.00 H new ATOM 0 HB3 GLN A 39 11.921 21.133 6.563 1.00 0.00 H new ATOM 0 HG2 GLN A 39 9.624 20.619 7.292 1.00 0.00 H new ATOM 0 HG3 GLN A 39 10.195 20.186 8.891 1.00 0.00 H new ATOM 0 HE21 GLN A 39 8.236 22.244 8.231 1.00 0.00 H new ATOM 0 HE22 GLN A 39 8.899 23.786 8.782 1.00 0.00 H new ATOM 640 N PHE A 40 10.974 18.630 4.933 1.00 0.00 N ATOM 641 CA PHE A 40 9.963 18.208 3.975 1.00 0.00 C ATOM 642 C PHE A 40 10.445 17.222 2.912 1.00 0.00 C ATOM 643 O PHE A 40 9.703 16.891 1.988 1.00 0.00 O ATOM 644 CB PHE A 40 9.258 19.426 3.373 1.00 0.00 C ATOM 645 CG PHE A 40 8.371 20.179 4.341 1.00 0.00 C ATOM 646 CD1 PHE A 40 8.624 21.536 4.596 1.00 0.00 C ATOM 647 CD2 PHE A 40 7.304 19.536 4.982 1.00 0.00 C ATOM 648 CE1 PHE A 40 7.805 22.250 5.481 1.00 0.00 C ATOM 649 CE2 PHE A 40 6.500 20.246 5.886 1.00 0.00 C ATOM 650 CZ PHE A 40 6.751 21.601 6.133 1.00 0.00 C ATOM 0 H PHE A 40 11.824 18.990 4.500 1.00 0.00 H new ATOM 0 HA PHE A 40 9.237 17.627 4.544 1.00 0.00 H new ATOM 0 HB2 PHE A 40 10.011 20.110 2.983 1.00 0.00 H new ATOM 0 HB3 PHE A 40 8.655 19.099 2.526 1.00 0.00 H new ATOM 0 HD1 PHE A 40 9.451 22.031 4.109 1.00 0.00 H new ATOM 0 HD2 PHE A 40 7.101 18.495 4.780 1.00 0.00 H new ATOM 0 HE1 PHE A 40 7.987 23.299 5.659 1.00 0.00 H new ATOM 0 HE2 PHE A 40 5.687 19.747 6.392 1.00 0.00 H new ATOM 0 HZ PHE A 40 6.130 22.146 6.828 1.00 0.00 H new ATOM 660 N ASN A 41 11.691 16.761 3.047 1.00 0.00 N ATOM 661 CA ASN A 41 12.351 15.883 2.088 1.00 0.00 C ATOM 662 C ASN A 41 12.408 16.487 0.682 1.00 0.00 C ATOM 663 O ASN A 41 12.645 15.778 -0.297 1.00 0.00 O ATOM 664 CB ASN A 41 11.731 14.480 2.122 1.00 0.00 C ATOM 665 CG ASN A 41 11.840 13.831 3.494 1.00 0.00 C ATOM 666 OD1 ASN A 41 12.669 14.213 4.316 1.00 0.00 O ATOM 667 ND2 ASN A 41 10.996 12.835 3.753 1.00 0.00 N ATOM 0 H ASN A 41 12.280 16.996 3.846 1.00 0.00 H new ATOM 0 HA ASN A 41 13.393 15.779 2.391 1.00 0.00 H new ATOM 0 HB2 ASN A 41 10.681 14.543 1.835 1.00 0.00 H new ATOM 0 HB3 ASN A 41 12.226 13.849 1.384 1.00 0.00 H new ATOM 0 HD21 ASN A 41 11.025 12.364 4.657 1.00 0.00 H new ATOM 0 HD22 ASN A 41 10.320 12.543 3.047 1.00 0.00 H new ATOM 674 N CYS A 42 12.185 17.803 0.579 1.00 0.00 N ATOM 675 CA CYS A 42 12.223 18.530 -0.676 1.00 0.00 C ATOM 676 C CYS A 42 13.641 19.023 -0.964 1.00 0.00 C ATOM 677 O CYS A 42 14.573 18.745 -0.211 1.00 0.00 O ATOM 678 CB CYS A 42 11.246 19.704 -0.578 1.00 0.00 C ATOM 679 SG CYS A 42 11.787 20.837 0.733 1.00 0.00 S ATOM 0 H CYS A 42 11.971 18.393 1.383 1.00 0.00 H new ATOM 0 HA CYS A 42 11.931 17.877 -1.498 1.00 0.00 H new ATOM 0 HB2 CYS A 42 11.198 20.231 -1.531 1.00 0.00 H new ATOM 0 HB3 CYS A 42 10.242 19.338 -0.365 1.00 0.00 H new ATOM 0 HG CYS A 42 11.813 22.052 0.273 1.00 0.00 H new ATOM 685 N VAL A 43 13.798 19.761 -2.061 1.00 0.00 N ATOM 686 CA VAL A 43 15.053 20.399 -2.440 1.00 0.00 C ATOM 687 C VAL A 43 14.737 21.839 -2.829 1.00 0.00 C ATOM 688 O VAL A 43 13.693 22.102 -3.424 1.00 0.00 O ATOM 689 CB VAL A 43 15.713 19.633 -3.591 1.00 0.00 C ATOM 690 CG1 VAL A 43 16.962 20.366 -4.088 1.00 0.00 C ATOM 691 CG2 VAL A 43 16.116 18.230 -3.136 1.00 0.00 C ATOM 0 H VAL A 43 13.041 19.934 -2.722 1.00 0.00 H new ATOM 0 HA VAL A 43 15.761 20.391 -1.611 1.00 0.00 H new ATOM 0 HB VAL A 43 14.987 19.565 -4.401 1.00 0.00 H new ATOM 0 HG11 VAL A 43 17.413 19.803 -4.905 1.00 0.00 H new ATOM 0 HG12 VAL A 43 16.685 21.359 -4.441 1.00 0.00 H new ATOM 0 HG13 VAL A 43 17.679 20.458 -3.272 1.00 0.00 H new ATOM 0 HG21 VAL A 43 16.583 17.699 -3.965 1.00 0.00 H new ATOM 0 HG22 VAL A 43 16.822 18.305 -2.309 1.00 0.00 H new ATOM 0 HG23 VAL A 43 15.230 17.685 -2.809 1.00 0.00 H new ATOM 701 N ILE A 44 15.631 22.774 -2.500 1.00 0.00 N ATOM 702 CA ILE A 44 15.429 24.186 -2.793 1.00 0.00 C ATOM 703 C ILE A 44 16.681 24.780 -3.428 1.00 0.00 C ATOM 704 O ILE A 44 17.802 24.408 -3.078 1.00 0.00 O ATOM 705 CB ILE A 44 15.021 24.947 -1.521 1.00 0.00 C ATOM 706 CG1 ILE A 44 13.732 24.361 -0.930 1.00 0.00 C ATOM 707 CG2 ILE A 44 14.835 26.443 -1.807 1.00 0.00 C ATOM 708 CD1 ILE A 44 13.363 25.011 0.402 1.00 0.00 C ATOM 0 H ILE A 44 16.510 22.570 -2.025 1.00 0.00 H new ATOM 0 HA ILE A 44 14.615 24.286 -3.511 1.00 0.00 H new ATOM 0 HB ILE A 44 15.826 24.834 -0.794 1.00 0.00 H new ATOM 0 HG12 ILE A 44 12.915 24.497 -1.638 1.00 0.00 H new ATOM 0 HG13 ILE A 44 13.855 23.287 -0.787 1.00 0.00 H new ATOM 0 HG21 ILE A 44 14.547 26.956 -0.889 1.00 0.00 H new ATOM 0 HG22 ILE A 44 15.771 26.862 -2.178 1.00 0.00 H new ATOM 0 HG23 ILE A 44 14.055 26.576 -2.557 1.00 0.00 H new ATOM 0 HD11 ILE A 44 12.444 24.565 0.782 1.00 0.00 H new ATOM 0 HD12 ILE A 44 14.168 24.852 1.120 1.00 0.00 H new ATOM 0 HD13 ILE A 44 13.213 26.081 0.256 1.00 0.00 H new ATOM 720 N THR A 45 16.480 25.711 -4.361 1.00 0.00 N ATOM 721 CA THR A 45 17.557 26.391 -5.060 1.00 0.00 C ATOM 722 C THR A 45 17.361 27.897 -5.184 1.00 0.00 C ATOM 723 O THR A 45 16.256 28.355 -5.471 1.00 0.00 O ATOM 724 CB THR A 45 17.871 25.731 -6.408 1.00 0.00 C ATOM 725 OG1 THR A 45 17.689 24.331 -6.337 1.00 0.00 O ATOM 726 CG2 THR A 45 19.293 26.049 -6.860 1.00 0.00 C ATOM 0 H THR A 45 15.551 26.014 -4.652 1.00 0.00 H new ATOM 0 HA THR A 45 18.436 26.272 -4.426 1.00 0.00 H new ATOM 0 HB THR A 45 17.177 26.139 -7.142 1.00 0.00 H new ATOM 0 HG1 THR A 45 17.893 23.930 -7.208 1.00 0.00 H new ATOM 0 HG21 THR A 45 19.486 25.567 -7.819 1.00 0.00 H new ATOM 0 HG22 THR A 45 19.408 27.128 -6.966 1.00 0.00 H new ATOM 0 HG23 THR A 45 20.002 25.679 -6.119 1.00 0.00 H new ATOM 734 N VAL A 46 18.431 28.663 -4.972 1.00 0.00 N ATOM 735 CA VAL A 46 18.403 30.111 -5.134 1.00 0.00 C ATOM 736 C VAL A 46 19.198 30.525 -6.365 1.00 0.00 C ATOM 737 O VAL A 46 20.186 29.881 -6.714 1.00 0.00 O ATOM 738 CB VAL A 46 18.833 30.832 -3.851 1.00 0.00 C ATOM 739 CG1 VAL A 46 18.520 32.324 -3.951 1.00 0.00 C ATOM 740 CG2 VAL A 46 18.096 30.254 -2.643 1.00 0.00 C ATOM 0 H VAL A 46 19.338 28.296 -4.684 1.00 0.00 H new ATOM 0 HA VAL A 46 17.374 30.426 -5.309 1.00 0.00 H new ATOM 0 HB VAL A 46 19.907 30.690 -3.727 1.00 0.00 H new ATOM 0 HG11 VAL A 46 18.831 32.823 -3.033 1.00 0.00 H new ATOM 0 HG12 VAL A 46 19.057 32.753 -4.797 1.00 0.00 H new ATOM 0 HG13 VAL A 46 17.448 32.462 -4.094 1.00 0.00 H new ATOM 0 HG21 VAL A 46 18.412 30.776 -1.740 1.00 0.00 H new ATOM 0 HG22 VAL A 46 17.022 30.380 -2.778 1.00 0.00 H new ATOM 0 HG23 VAL A 46 18.328 29.193 -2.549 1.00 0.00 H new ATOM 750 N HIS A 47 18.765 31.602 -7.021 1.00 0.00 N ATOM 751 CA HIS A 47 19.327 32.038 -8.287 1.00 0.00 C ATOM 752 C HIS A 47 19.748 33.507 -8.239 1.00 0.00 C ATOM 753 O HIS A 47 19.276 34.327 -9.023 1.00 0.00 O ATOM 754 CB HIS A 47 18.320 31.723 -9.397 1.00 0.00 C ATOM 755 CG HIS A 47 18.270 30.253 -9.729 1.00 0.00 C ATOM 756 ND1 HIS A 47 19.255 29.545 -10.393 1.00 0.00 N ATOM 757 CD2 HIS A 47 17.247 29.388 -9.453 1.00 0.00 C ATOM 758 CE1 HIS A 47 18.835 28.274 -10.520 1.00 0.00 C ATOM 759 NE2 HIS A 47 17.615 28.159 -9.962 1.00 0.00 N ATOM 0 H HIS A 47 18.009 32.196 -6.681 1.00 0.00 H new ATOM 0 HA HIS A 47 20.247 31.494 -8.500 1.00 0.00 H new ATOM 0 HB2 HIS A 47 17.329 32.057 -9.090 1.00 0.00 H new ATOM 0 HB3 HIS A 47 18.583 32.286 -10.293 1.00 0.00 H new ATOM 0 HD1 HIS A 47 20.143 29.920 -10.727 1.00 0.00 H new ATOM 0 HD2 HIS A 47 16.328 29.622 -8.936 1.00 0.00 H new ATOM 0 HE1 HIS A 47 19.387 27.475 -10.993 1.00 0.00 H new ATOM 0 HE2 HIS A 47 17.056 27.306 -9.922 1.00 0.00 H new ATOM 768 N THR A 48 20.645 33.842 -7.304 1.00 0.00 N ATOM 769 CA THR A 48 21.154 35.199 -7.138 1.00 0.00 C ATOM 770 C THR A 48 21.924 35.765 -8.328 1.00 0.00 C ATOM 771 O THR A 48 22.207 36.962 -8.362 1.00 0.00 O ATOM 772 CB THR A 48 21.929 35.369 -5.824 1.00 0.00 C ATOM 773 OG1 THR A 48 23.295 35.094 -6.039 1.00 0.00 O ATOM 774 CG2 THR A 48 21.421 34.450 -4.710 1.00 0.00 C ATOM 0 H THR A 48 21.037 33.173 -6.641 1.00 0.00 H new ATOM 0 HA THR A 48 20.253 35.811 -7.087 1.00 0.00 H new ATOM 0 HB THR A 48 21.779 36.400 -5.504 1.00 0.00 H new ATOM 0 HG1 THR A 48 23.787 35.205 -5.199 1.00 0.00 H new ATOM 0 HG21 THR A 48 22.007 34.615 -3.806 1.00 0.00 H new ATOM 0 HG22 THR A 48 20.373 34.669 -4.508 1.00 0.00 H new ATOM 0 HG23 THR A 48 21.521 33.410 -5.022 1.00 0.00 H new ATOM 782 N GLU A 49 22.268 34.917 -9.303 1.00 0.00 N ATOM 783 CA GLU A 49 22.943 35.358 -10.513 1.00 0.00 C ATOM 784 C GLU A 49 21.967 36.108 -11.428 1.00 0.00 C ATOM 785 O GLU A 49 22.395 36.773 -12.372 1.00 0.00 O ATOM 786 CB GLU A 49 23.583 34.164 -11.235 1.00 0.00 C ATOM 787 CG GLU A 49 22.578 33.153 -11.805 1.00 0.00 C ATOM 788 CD GLU A 49 22.027 32.171 -10.770 1.00 0.00 C ATOM 789 OE1 GLU A 49 21.164 31.357 -11.164 1.00 0.00 O ATOM 790 OE2 GLU A 49 22.460 32.227 -9.597 1.00 0.00 O ATOM 0 H GLU A 49 22.085 33.914 -9.270 1.00 0.00 H new ATOM 0 HA GLU A 49 23.741 36.049 -10.239 1.00 0.00 H new ATOM 0 HB2 GLU A 49 24.204 34.538 -12.049 1.00 0.00 H new ATOM 0 HB3 GLU A 49 24.245 33.647 -10.540 1.00 0.00 H new ATOM 0 HG2 GLU A 49 21.746 33.697 -12.253 1.00 0.00 H new ATOM 0 HG3 GLU A 49 23.059 32.590 -12.605 1.00 0.00 H new ATOM 797 N VAL A 50 20.662 36.005 -11.154 1.00 0.00 N ATOM 798 CA VAL A 50 19.635 36.738 -11.879 1.00 0.00 C ATOM 799 C VAL A 50 19.558 38.167 -11.357 1.00 0.00 C ATOM 800 O VAL A 50 19.947 38.442 -10.223 1.00 0.00 O ATOM 801 CB VAL A 50 18.278 36.037 -11.732 1.00 0.00 C ATOM 802 CG1 VAL A 50 17.172 36.754 -12.509 1.00 0.00 C ATOM 803 CG2 VAL A 50 18.368 34.593 -12.232 1.00 0.00 C ATOM 0 H VAL A 50 20.293 35.405 -10.417 1.00 0.00 H new ATOM 0 HA VAL A 50 19.894 36.763 -12.937 1.00 0.00 H new ATOM 0 HB VAL A 50 18.027 36.057 -10.672 1.00 0.00 H new ATOM 0 HG11 VAL A 50 16.230 36.222 -12.375 1.00 0.00 H new ATOM 0 HG12 VAL A 50 17.069 37.774 -12.138 1.00 0.00 H new ATOM 0 HG13 VAL A 50 17.428 36.778 -13.568 1.00 0.00 H new ATOM 0 HG21 VAL A 50 17.398 34.109 -12.121 1.00 0.00 H new ATOM 0 HG22 VAL A 50 18.658 34.589 -13.283 1.00 0.00 H new ATOM 0 HG23 VAL A 50 19.113 34.052 -11.648 1.00 0.00 H new ATOM 813 N GLN A 51 19.053 39.078 -12.187 1.00 0.00 N ATOM 814 CA GLN A 51 18.809 40.447 -11.773 1.00 0.00 C ATOM 815 C GLN A 51 17.593 40.995 -12.511 1.00 0.00 C ATOM 816 O GLN A 51 17.470 40.854 -13.729 1.00 0.00 O ATOM 817 CB GLN A 51 20.067 41.299 -11.987 1.00 0.00 C ATOM 818 CG GLN A 51 20.516 41.330 -13.451 1.00 0.00 C ATOM 819 CD GLN A 51 21.797 42.133 -13.638 1.00 0.00 C ATOM 820 OE1 GLN A 51 22.357 42.675 -12.689 1.00 0.00 O ATOM 821 NE2 GLN A 51 22.279 42.215 -14.876 1.00 0.00 N ATOM 0 H GLN A 51 18.805 38.884 -13.157 1.00 0.00 H new ATOM 0 HA GLN A 51 18.586 40.481 -10.707 1.00 0.00 H new ATOM 0 HB2 GLN A 51 19.874 42.317 -11.649 1.00 0.00 H new ATOM 0 HB3 GLN A 51 20.876 40.907 -11.371 1.00 0.00 H new ATOM 0 HG2 GLN A 51 20.672 40.311 -13.804 1.00 0.00 H new ATOM 0 HG3 GLN A 51 19.725 41.762 -14.064 1.00 0.00 H new ATOM 0 HE21 GLN A 51 21.792 41.754 -15.645 1.00 0.00 H new ATOM 0 HE22 GLN A 51 23.136 42.739 -15.056 1.00 0.00 H new ATOM 830 N SER A 52 16.692 41.624 -11.756 1.00 0.00 N ATOM 831 CA SER A 52 15.510 42.281 -12.294 1.00 0.00 C ATOM 832 C SER A 52 15.358 43.678 -11.705 1.00 0.00 C ATOM 833 O SER A 52 15.880 43.961 -10.628 1.00 0.00 O ATOM 834 CB SER A 52 14.272 41.430 -12.029 1.00 0.00 C ATOM 835 OG SER A 52 14.366 40.201 -12.717 1.00 0.00 O ATOM 0 H SER A 52 16.767 41.690 -10.741 1.00 0.00 H new ATOM 0 HA SER A 52 15.625 42.388 -13.373 1.00 0.00 H new ATOM 0 HB2 SER A 52 14.169 41.249 -10.959 1.00 0.00 H new ATOM 0 HB3 SER A 52 13.378 41.966 -12.349 1.00 0.00 H new ATOM 0 HG SER A 52 14.076 39.473 -12.128 1.00 0.00 H new ATOM 841 N SER A 53 14.639 44.552 -12.419 1.00 0.00 N ATOM 842 CA SER A 53 14.498 45.951 -12.034 1.00 0.00 C ATOM 843 C SER A 53 13.704 46.121 -10.739 1.00 0.00 C ATOM 844 O SER A 53 13.769 47.178 -10.114 1.00 0.00 O ATOM 845 CB SER A 53 13.819 46.711 -13.173 1.00 0.00 C ATOM 846 OG SER A 53 12.514 46.216 -13.383 1.00 0.00 O ATOM 0 H SER A 53 14.143 44.306 -13.275 1.00 0.00 H new ATOM 0 HA SER A 53 15.493 46.354 -11.848 1.00 0.00 H new ATOM 0 HB2 SER A 53 13.778 47.774 -12.936 1.00 0.00 H new ATOM 0 HB3 SER A 53 14.405 46.610 -14.087 1.00 0.00 H new ATOM 0 HG SER A 53 12.090 46.712 -14.114 1.00 0.00 H new ATOM 852 N PHE A 54 12.957 45.089 -10.331 1.00 0.00 N ATOM 853 CA PHE A 54 12.196 45.114 -9.091 1.00 0.00 C ATOM 854 C PHE A 54 12.966 44.809 -7.805 1.00 0.00 C ATOM 855 O PHE A 54 12.382 44.792 -6.722 1.00 0.00 O ATOM 856 CB PHE A 54 10.844 44.408 -9.217 1.00 0.00 C ATOM 857 CG PHE A 54 10.880 43.128 -10.023 1.00 0.00 C ATOM 858 CD1 PHE A 54 11.573 42.013 -9.532 1.00 0.00 C ATOM 859 CD2 PHE A 54 10.218 43.053 -11.257 1.00 0.00 C ATOM 860 CE1 PHE A 54 11.595 40.820 -10.269 1.00 0.00 C ATOM 861 CE2 PHE A 54 10.240 41.858 -11.992 1.00 0.00 C ATOM 862 CZ PHE A 54 10.927 40.742 -11.497 1.00 0.00 C ATOM 0 H PHE A 54 12.867 44.218 -10.854 1.00 0.00 H new ATOM 0 HA PHE A 54 11.973 46.171 -8.945 1.00 0.00 H new ATOM 0 HB2 PHE A 54 10.471 44.183 -8.218 1.00 0.00 H new ATOM 0 HB3 PHE A 54 10.132 45.093 -9.677 1.00 0.00 H new ATOM 0 HD1 PHE A 54 12.090 42.073 -8.586 1.00 0.00 H new ATOM 0 HD2 PHE A 54 9.692 43.914 -11.641 1.00 0.00 H new ATOM 0 HE1 PHE A 54 12.128 39.961 -9.889 1.00 0.00 H new ATOM 0 HE2 PHE A 54 9.727 41.799 -12.940 1.00 0.00 H new ATOM 0 HZ PHE A 54 10.941 39.822 -12.062 1.00 0.00 H new ATOM 872 N GLY A 55 14.278 44.570 -7.916 1.00 0.00 N ATOM 873 CA GLY A 55 15.133 44.379 -6.752 1.00 0.00 C ATOM 874 C GLY A 55 14.868 43.054 -6.041 1.00 0.00 C ATOM 875 O GLY A 55 14.808 43.024 -4.812 1.00 0.00 O ATOM 0 H GLY A 55 14.767 44.505 -8.809 1.00 0.00 H new ATOM 0 HA2 GLY A 55 16.177 44.418 -7.062 1.00 0.00 H new ATOM 0 HA3 GLY A 55 14.977 45.200 -6.052 1.00 0.00 H new ATOM 879 N ALA A 56 14.705 41.969 -6.802 1.00 0.00 N ATOM 880 CA ALA A 56 14.417 40.660 -6.237 1.00 0.00 C ATOM 881 C ALA A 56 15.231 39.558 -6.917 1.00 0.00 C ATOM 882 O ALA A 56 15.826 39.765 -7.976 1.00 0.00 O ATOM 883 CB ALA A 56 12.916 40.385 -6.344 1.00 0.00 C ATOM 0 H ALA A 56 14.769 41.978 -7.820 1.00 0.00 H new ATOM 0 HA ALA A 56 14.709 40.660 -5.187 1.00 0.00 H new ATOM 0 HB1 ALA A 56 12.695 39.405 -5.922 1.00 0.00 H new ATOM 0 HB2 ALA A 56 12.366 41.149 -5.795 1.00 0.00 H new ATOM 0 HB3 ALA A 56 12.616 40.405 -7.392 1.00 0.00 H new ATOM 889 N THR A 57 15.249 38.379 -6.290 1.00 0.00 N ATOM 890 CA THR A 57 15.984 37.214 -6.760 1.00 0.00 C ATOM 891 C THR A 57 14.984 36.058 -6.705 1.00 0.00 C ATOM 892 O THR A 57 14.294 35.891 -5.700 1.00 0.00 O ATOM 893 CB THR A 57 17.145 36.955 -5.796 1.00 0.00 C ATOM 894 OG1 THR A 57 18.227 37.796 -6.129 1.00 0.00 O ATOM 895 CG2 THR A 57 17.626 35.508 -5.872 1.00 0.00 C ATOM 0 H THR A 57 14.740 38.210 -5.423 1.00 0.00 H new ATOM 0 HA THR A 57 16.391 37.340 -7.763 1.00 0.00 H new ATOM 0 HB THR A 57 16.788 37.156 -4.786 1.00 0.00 H new ATOM 0 HG1 THR A 57 18.970 37.633 -5.512 1.00 0.00 H new ATOM 0 HG21 THR A 57 18.450 35.362 -5.174 1.00 0.00 H new ATOM 0 HG22 THR A 57 16.807 34.838 -5.611 1.00 0.00 H new ATOM 0 HG23 THR A 57 17.965 35.290 -6.885 1.00 0.00 H new ATOM 903 N PRO A 58 14.896 35.256 -7.776 1.00 0.00 N ATOM 904 CA PRO A 58 13.998 34.118 -7.850 1.00 0.00 C ATOM 905 C PRO A 58 14.568 32.899 -7.124 1.00 0.00 C ATOM 906 O PRO A 58 15.780 32.766 -6.953 1.00 0.00 O ATOM 907 CB PRO A 58 13.845 33.849 -9.344 1.00 0.00 C ATOM 908 CG PRO A 58 15.212 34.249 -9.900 1.00 0.00 C ATOM 909 CD PRO A 58 15.649 35.406 -9.003 1.00 0.00 C ATOM 0 HA PRO A 58 13.044 34.321 -7.364 1.00 0.00 H new ATOM 0 HB2 PRO A 58 13.617 32.802 -9.546 1.00 0.00 H new ATOM 0 HB3 PRO A 58 13.041 34.441 -9.782 1.00 0.00 H new ATOM 0 HG2 PRO A 58 15.919 33.421 -9.856 1.00 0.00 H new ATOM 0 HG3 PRO A 58 15.145 34.556 -10.944 1.00 0.00 H new ATOM 0 HD2 PRO A 58 16.721 35.369 -8.811 1.00 0.00 H new ATOM 0 HD3 PRO A 58 15.442 36.367 -9.474 1.00 0.00 H new ATOM 917 N VAL A 59 13.668 32.008 -6.703 1.00 0.00 N ATOM 918 CA VAL A 59 14.003 30.736 -6.079 1.00 0.00 C ATOM 919 C VAL A 59 13.164 29.591 -6.632 1.00 0.00 C ATOM 920 O VAL A 59 12.088 29.822 -7.178 1.00 0.00 O ATOM 921 CB VAL A 59 14.011 30.798 -4.539 1.00 0.00 C ATOM 922 CG1 VAL A 59 14.316 32.203 -4.015 1.00 0.00 C ATOM 923 CG2 VAL A 59 12.681 30.341 -3.942 1.00 0.00 C ATOM 0 H VAL A 59 12.663 32.159 -6.791 1.00 0.00 H new ATOM 0 HA VAL A 59 15.035 30.520 -6.355 1.00 0.00 H new ATOM 0 HB VAL A 59 14.805 30.119 -4.227 1.00 0.00 H new ATOM 0 HG11 VAL A 59 14.310 32.194 -2.925 1.00 0.00 H new ATOM 0 HG12 VAL A 59 15.297 32.519 -4.370 1.00 0.00 H new ATOM 0 HG13 VAL A 59 13.558 32.898 -4.376 1.00 0.00 H new ATOM 0 HG21 VAL A 59 12.731 30.401 -2.855 1.00 0.00 H new ATOM 0 HG22 VAL A 59 11.879 30.984 -4.304 1.00 0.00 H new ATOM 0 HG23 VAL A 59 12.483 29.311 -4.240 1.00 0.00 H new ATOM 933 N GLU A 60 13.651 28.357 -6.495 1.00 0.00 N ATOM 934 CA GLU A 60 12.996 27.170 -7.030 1.00 0.00 C ATOM 935 C GLU A 60 12.907 26.074 -5.972 1.00 0.00 C ATOM 936 O GLU A 60 13.718 26.030 -5.048 1.00 0.00 O ATOM 937 CB GLU A 60 13.749 26.686 -8.272 1.00 0.00 C ATOM 938 CG GLU A 60 13.600 27.681 -9.424 1.00 0.00 C ATOM 939 CD GLU A 60 14.485 27.321 -10.619 1.00 0.00 C ATOM 940 OE1 GLU A 60 14.270 27.924 -11.694 1.00 0.00 O ATOM 941 OE2 GLU A 60 15.371 26.451 -10.455 1.00 0.00 O ATOM 0 H GLU A 60 14.521 28.155 -6.003 1.00 0.00 H new ATOM 0 HA GLU A 60 11.976 27.424 -7.318 1.00 0.00 H new ATOM 0 HB2 GLU A 60 14.805 26.555 -8.034 1.00 0.00 H new ATOM 0 HB3 GLU A 60 13.367 25.711 -8.577 1.00 0.00 H new ATOM 0 HG2 GLU A 60 12.558 27.712 -9.742 1.00 0.00 H new ATOM 0 HG3 GLU A 60 13.856 28.681 -9.073 1.00 0.00 H new ATOM 948 N ILE A 61 11.914 25.188 -6.111 1.00 0.00 N ATOM 949 CA ILE A 61 11.670 24.101 -5.170 1.00 0.00 C ATOM 950 C ILE A 61 11.306 22.836 -5.940 1.00 0.00 C ATOM 951 O ILE A 61 10.694 22.912 -7.006 1.00 0.00 O ATOM 952 CB ILE A 61 10.548 24.484 -4.193 1.00 0.00 C ATOM 953 CG1 ILE A 61 10.824 25.854 -3.560 1.00 0.00 C ATOM 954 CG2 ILE A 61 10.364 23.402 -3.123 1.00 0.00 C ATOM 955 CD1 ILE A 61 9.699 26.282 -2.621 1.00 0.00 C ATOM 0 H ILE A 61 11.254 25.210 -6.888 1.00 0.00 H new ATOM 0 HA ILE A 61 12.574 23.915 -4.590 1.00 0.00 H new ATOM 0 HB ILE A 61 9.616 24.557 -4.753 1.00 0.00 H new ATOM 0 HG12 ILE A 61 11.763 25.817 -3.008 1.00 0.00 H new ATOM 0 HG13 ILE A 61 10.945 26.600 -4.346 1.00 0.00 H new ATOM 0 HG21 ILE A 61 9.564 23.695 -2.443 1.00 0.00 H new ATOM 0 HG22 ILE A 61 10.105 22.457 -3.601 1.00 0.00 H new ATOM 0 HG23 ILE A 61 11.291 23.283 -2.563 1.00 0.00 H new ATOM 0 HD11 ILE A 61 9.933 27.257 -2.193 1.00 0.00 H new ATOM 0 HD12 ILE A 61 8.764 26.345 -3.178 1.00 0.00 H new ATOM 0 HD13 ILE A 61 9.595 25.550 -1.820 1.00 0.00 H new ATOM 967 N VAL A 62 11.682 21.673 -5.397 1.00 0.00 N ATOM 968 CA VAL A 62 11.391 20.373 -5.988 1.00 0.00 C ATOM 969 C VAL A 62 11.058 19.364 -4.896 1.00 0.00 C ATOM 970 O VAL A 62 11.647 19.396 -3.818 1.00 0.00 O ATOM 971 CB VAL A 62 12.586 19.883 -6.815 1.00 0.00 C ATOM 972 CG1 VAL A 62 12.292 18.507 -7.411 1.00 0.00 C ATOM 973 CG2 VAL A 62 12.921 20.844 -7.956 1.00 0.00 C ATOM 0 H VAL A 62 12.204 21.613 -4.523 1.00 0.00 H new ATOM 0 HA VAL A 62 10.530 20.475 -6.648 1.00 0.00 H new ATOM 0 HB VAL A 62 13.439 19.829 -6.138 1.00 0.00 H new ATOM 0 HG11 VAL A 62 13.149 18.173 -7.995 1.00 0.00 H new ATOM 0 HG12 VAL A 62 12.101 17.796 -6.607 1.00 0.00 H new ATOM 0 HG13 VAL A 62 11.416 18.570 -8.056 1.00 0.00 H new ATOM 0 HG21 VAL A 62 13.773 20.460 -8.517 1.00 0.00 H new ATOM 0 HG22 VAL A 62 12.061 20.935 -8.619 1.00 0.00 H new ATOM 0 HG23 VAL A 62 13.168 21.823 -7.546 1.00 0.00 H new ATOM 983 N ALA A 63 10.108 18.471 -5.175 1.00 0.00 N ATOM 984 CA ALA A 63 9.731 17.399 -4.263 1.00 0.00 C ATOM 985 C ALA A 63 9.007 16.291 -5.030 1.00 0.00 C ATOM 986 O ALA A 63 8.639 16.468 -6.189 1.00 0.00 O ATOM 987 CB ALA A 63 8.827 17.958 -3.163 1.00 0.00 C ATOM 0 H ALA A 63 9.577 18.474 -6.046 1.00 0.00 H new ATOM 0 HA ALA A 63 10.628 16.979 -3.808 1.00 0.00 H new ATOM 0 HB1 ALA A 63 8.545 17.156 -2.481 1.00 0.00 H new ATOM 0 HB2 ALA A 63 9.361 18.732 -2.612 1.00 0.00 H new ATOM 0 HB3 ALA A 63 7.930 18.385 -3.611 1.00 0.00 H new ATOM 993 N GLN A 64 8.803 15.142 -4.378 1.00 0.00 N ATOM 994 CA GLN A 64 8.122 14.009 -4.991 1.00 0.00 C ATOM 995 C GLN A 64 6.606 14.224 -5.052 1.00 0.00 C ATOM 996 O GLN A 64 5.920 13.553 -5.823 1.00 0.00 O ATOM 997 CB GLN A 64 8.482 12.749 -4.200 1.00 0.00 C ATOM 998 CG GLN A 64 7.817 11.498 -4.781 1.00 0.00 C ATOM 999 CD GLN A 64 8.370 10.211 -4.180 1.00 0.00 C ATOM 1000 OE1 GLN A 64 9.154 10.236 -3.233 1.00 0.00 O ATOM 1001 NE2 GLN A 64 7.958 9.071 -4.722 1.00 0.00 N ATOM 0 H GLN A 64 9.105 14.977 -3.418 1.00 0.00 H new ATOM 0 HA GLN A 64 8.452 13.900 -6.024 1.00 0.00 H new ATOM 0 HB2 GLN A 64 9.564 12.618 -4.200 1.00 0.00 H new ATOM 0 HB3 GLN A 64 8.176 12.873 -3.161 1.00 0.00 H new ATOM 0 HG2 GLN A 64 6.743 11.546 -4.604 1.00 0.00 H new ATOM 0 HG3 GLN A 64 7.961 11.482 -5.861 1.00 0.00 H new ATOM 0 HE21 GLN A 64 7.307 9.086 -5.507 1.00 0.00 H new ATOM 0 HE22 GLN A 64 8.293 8.181 -4.353 1.00 0.00 H new ATOM 1010 N ASN A 65 6.074 15.152 -4.246 1.00 0.00 N ATOM 1011 CA ASN A 65 4.640 15.403 -4.161 1.00 0.00 C ATOM 1012 C ASN A 65 4.363 16.873 -3.868 1.00 0.00 C ATOM 1013 O ASN A 65 5.202 17.572 -3.297 1.00 0.00 O ATOM 1014 CB ASN A 65 4.028 14.544 -3.047 1.00 0.00 C ATOM 1015 CG ASN A 65 4.294 13.057 -3.218 1.00 0.00 C ATOM 1016 OD1 ASN A 65 3.796 12.430 -4.147 1.00 0.00 O ATOM 1017 ND2 ASN A 65 5.081 12.481 -2.312 1.00 0.00 N ATOM 0 H ASN A 65 6.632 15.748 -3.635 1.00 0.00 H new ATOM 0 HA ASN A 65 4.191 15.144 -5.120 1.00 0.00 H new ATOM 0 HB2 ASN A 65 4.427 14.869 -2.086 1.00 0.00 H new ATOM 0 HB3 ASN A 65 2.951 14.712 -3.018 1.00 0.00 H new ATOM 0 HD21 ASN A 65 5.288 11.484 -2.376 1.00 0.00 H new ATOM 0 HD22 ASN A 65 5.477 13.036 -1.553 1.00 0.00 H new ATOM 1024 N LYS A 66 3.176 17.346 -4.252 1.00 0.00 N ATOM 1025 CA LYS A 66 2.729 18.695 -3.932 1.00 0.00 C ATOM 1026 C LYS A 66 2.478 18.823 -2.432 1.00 0.00 C ATOM 1027 O LYS A 66 2.508 19.926 -1.888 1.00 0.00 O ATOM 1028 CB LYS A 66 1.449 19.010 -4.711 1.00 0.00 C ATOM 1029 CG LYS A 66 1.727 19.037 -6.214 1.00 0.00 C ATOM 1030 CD LYS A 66 0.449 19.353 -6.983 1.00 0.00 C ATOM 1031 CE LYS A 66 0.754 19.418 -8.478 1.00 0.00 C ATOM 1032 NZ LYS A 66 -0.457 19.736 -9.257 1.00 0.00 N ATOM 0 H LYS A 66 2.502 16.803 -4.792 1.00 0.00 H new ATOM 0 HA LYS A 66 3.504 19.406 -4.216 1.00 0.00 H new ATOM 0 HB2 LYS A 66 0.689 18.261 -4.490 1.00 0.00 H new ATOM 0 HB3 LYS A 66 1.050 19.973 -4.392 1.00 0.00 H new ATOM 0 HG2 LYS A 66 2.488 19.785 -6.437 1.00 0.00 H new ATOM 0 HG3 LYS A 66 2.124 18.074 -6.535 1.00 0.00 H new ATOM 0 HD2 LYS A 66 -0.303 18.589 -6.788 1.00 0.00 H new ATOM 0 HD3 LYS A 66 0.034 20.302 -6.645 1.00 0.00 H new ATOM 0 HE2 LYS A 66 1.517 20.174 -8.663 1.00 0.00 H new ATOM 0 HE3 LYS A 66 1.163 18.464 -8.810 1.00 0.00 H new ATOM 0 HZ1 LYS A 66 -0.219 19.773 -10.269 1.00 0.00 H new ATOM 0 HZ2 LYS A 66 -1.175 19.001 -9.097 1.00 0.00 H new ATOM 0 HZ3 LYS A 66 -0.832 20.658 -8.955 1.00 0.00 H new ATOM 1046 N GLU A 67 2.228 17.693 -1.766 1.00 0.00 N ATOM 1047 CA GLU A 67 2.013 17.645 -0.327 1.00 0.00 C ATOM 1048 C GLU A 67 3.303 17.918 0.443 1.00 0.00 C ATOM 1049 O GLU A 67 3.280 17.998 1.669 1.00 0.00 O ATOM 1050 CB GLU A 67 1.446 16.275 0.057 1.00 0.00 C ATOM 1051 CG GLU A 67 0.116 16.021 -0.655 1.00 0.00 C ATOM 1052 CD GLU A 67 -0.542 14.715 -0.210 1.00 0.00 C ATOM 1053 OE1 GLU A 67 0.089 13.971 0.577 1.00 0.00 O ATOM 1054 OE2 GLU A 67 -1.683 14.467 -0.664 1.00 0.00 O ATOM 0 H GLU A 67 2.170 16.781 -2.219 1.00 0.00 H new ATOM 0 HA GLU A 67 1.301 18.426 -0.060 1.00 0.00 H new ATOM 0 HB2 GLU A 67 2.160 15.494 -0.206 1.00 0.00 H new ATOM 0 HB3 GLU A 67 1.302 16.225 1.136 1.00 0.00 H new ATOM 0 HG2 GLU A 67 -0.562 16.852 -0.460 1.00 0.00 H new ATOM 0 HG3 GLU A 67 0.283 15.992 -1.732 1.00 0.00 H new ATOM 1061 N GLN A 68 4.426 18.066 -0.268 1.00 0.00 N ATOM 1062 CA GLN A 68 5.705 18.391 0.341 1.00 0.00 C ATOM 1063 C GLN A 68 6.313 19.641 -0.292 1.00 0.00 C ATOM 1064 O GLN A 68 7.044 20.373 0.371 1.00 0.00 O ATOM 1065 CB GLN A 68 6.660 17.211 0.167 1.00 0.00 C ATOM 1066 CG GLN A 68 6.117 15.933 0.817 1.00 0.00 C ATOM 1067 CD GLN A 68 6.940 14.721 0.405 1.00 0.00 C ATOM 1068 OE1 GLN A 68 6.393 13.719 -0.055 1.00 0.00 O ATOM 1069 NE2 GLN A 68 8.258 14.793 0.559 1.00 0.00 N ATOM 0 H GLN A 68 4.466 17.962 -1.282 1.00 0.00 H new ATOM 0 HA GLN A 68 5.545 18.590 1.401 1.00 0.00 H new ATOM 0 HB2 GLN A 68 6.828 17.034 -0.895 1.00 0.00 H new ATOM 0 HB3 GLN A 68 7.626 17.459 0.606 1.00 0.00 H new ATOM 0 HG2 GLN A 68 6.134 16.037 1.902 1.00 0.00 H new ATOM 0 HG3 GLN A 68 5.077 15.787 0.527 1.00 0.00 H new ATOM 0 HE21 GLN A 68 8.681 15.638 0.943 1.00 0.00 H new ATOM 0 HE22 GLN A 68 8.846 14.003 0.293 1.00 0.00 H new ATOM 1078 N CYS A 69 6.019 19.897 -1.573 1.00 0.00 N ATOM 1079 CA CYS A 69 6.591 21.037 -2.269 1.00 0.00 C ATOM 1080 C CYS A 69 5.899 22.325 -1.809 1.00 0.00 C ATOM 1081 O CYS A 69 6.549 23.356 -1.662 1.00 0.00 O ATOM 1082 CB CYS A 69 6.381 20.837 -3.772 1.00 0.00 C ATOM 1083 SG CYS A 69 7.464 21.979 -4.672 1.00 0.00 S ATOM 0 H CYS A 69 5.390 19.328 -2.139 1.00 0.00 H new ATOM 0 HA CYS A 69 7.656 21.118 -2.049 1.00 0.00 H new ATOM 0 HB2 CYS A 69 6.604 19.807 -4.050 1.00 0.00 H new ATOM 0 HB3 CYS A 69 5.339 21.019 -4.035 1.00 0.00 H new ATOM 0 HG CYS A 69 7.797 21.453 -5.813 1.00 0.00 H new ATOM 1089 N GLN A 70 4.581 22.266 -1.580 1.00 0.00 N ATOM 1090 CA GLN A 70 3.822 23.431 -1.143 1.00 0.00 C ATOM 1091 C GLN A 70 4.140 23.784 0.307 1.00 0.00 C ATOM 1092 O GLN A 70 4.071 24.952 0.685 1.00 0.00 O ATOM 1093 CB GLN A 70 2.323 23.157 -1.280 1.00 0.00 C ATOM 1094 CG GLN A 70 1.903 22.954 -2.743 1.00 0.00 C ATOM 1095 CD GLN A 70 2.027 24.226 -3.575 1.00 0.00 C ATOM 1096 OE1 GLN A 70 2.282 25.312 -3.059 1.00 0.00 O ATOM 1097 NE2 GLN A 70 1.844 24.095 -4.888 1.00 0.00 N ATOM 0 H GLN A 70 4.023 21.420 -1.692 1.00 0.00 H new ATOM 0 HA GLN A 70 4.104 24.273 -1.775 1.00 0.00 H new ATOM 0 HB2 GLN A 70 2.063 22.270 -0.702 1.00 0.00 H new ATOM 0 HB3 GLN A 70 1.763 23.990 -0.855 1.00 0.00 H new ATOM 0 HG2 GLN A 70 2.519 22.173 -3.188 1.00 0.00 H new ATOM 0 HG3 GLN A 70 0.871 22.603 -2.775 1.00 0.00 H new ATOM 0 HE21 GLN A 70 1.634 23.179 -5.285 1.00 0.00 H new ATOM 0 HE22 GLN A 70 1.914 24.911 -5.497 1.00 0.00 H new ATOM 1106 N GLU A 71 4.485 22.790 1.125 1.00 0.00 N ATOM 1107 CA GLU A 71 4.774 23.045 2.529 1.00 0.00 C ATOM 1108 C GLU A 71 6.112 23.765 2.670 1.00 0.00 C ATOM 1109 O GLU A 71 6.292 24.574 3.579 1.00 0.00 O ATOM 1110 CB GLU A 71 4.787 21.721 3.294 1.00 0.00 C ATOM 1111 CG GLU A 71 3.481 20.939 3.127 1.00 0.00 C ATOM 1112 CD GLU A 71 2.259 21.669 3.686 1.00 0.00 C ATOM 1113 OE1 GLU A 71 2.440 22.682 4.402 1.00 0.00 O ATOM 1114 OE2 GLU A 71 1.134 21.203 3.392 1.00 0.00 O ATOM 0 H GLU A 71 4.570 21.814 0.841 1.00 0.00 H new ATOM 0 HA GLU A 71 3.999 23.687 2.948 1.00 0.00 H new ATOM 0 HB2 GLU A 71 5.620 21.111 2.945 1.00 0.00 H new ATOM 0 HB3 GLU A 71 4.957 21.917 4.353 1.00 0.00 H new ATOM 0 HG2 GLU A 71 3.321 20.736 2.068 1.00 0.00 H new ATOM 0 HG3 GLU A 71 3.578 19.974 3.625 1.00 0.00 H new ATOM 1121 N ALA A 72 7.053 23.476 1.768 1.00 0.00 N ATOM 1122 CA ALA A 72 8.346 24.143 1.753 1.00 0.00 C ATOM 1123 C ALA A 72 8.229 25.515 1.092 1.00 0.00 C ATOM 1124 O ALA A 72 8.993 26.423 1.405 1.00 0.00 O ATOM 1125 CB ALA A 72 9.338 23.261 0.996 1.00 0.00 C ATOM 0 H ALA A 72 6.936 22.777 1.034 1.00 0.00 H new ATOM 0 HA ALA A 72 8.697 24.296 2.773 1.00 0.00 H new ATOM 0 HB1 ALA A 72 10.314 23.746 0.975 1.00 0.00 H new ATOM 0 HB2 ALA A 72 9.423 22.297 1.497 1.00 0.00 H new ATOM 0 HB3 ALA A 72 8.986 23.110 -0.024 1.00 0.00 H new ATOM 1131 N ARG A 73 7.269 25.663 0.175 1.00 0.00 N ATOM 1132 CA ARG A 73 7.005 26.918 -0.517 1.00 0.00 C ATOM 1133 C ARG A 73 6.375 27.933 0.428 1.00 0.00 C ATOM 1134 O ARG A 73 6.752 29.102 0.418 1.00 0.00 O ATOM 1135 CB ARG A 73 6.077 26.628 -1.704 1.00 0.00 C ATOM 1136 CG ARG A 73 5.477 27.885 -2.337 1.00 0.00 C ATOM 1137 CD ARG A 73 6.546 28.844 -2.859 1.00 0.00 C ATOM 1138 NE ARG A 73 5.970 29.830 -3.783 1.00 0.00 N ATOM 1139 CZ ARG A 73 5.058 30.750 -3.456 1.00 0.00 C ATOM 1140 NH1 ARG A 73 4.610 30.858 -2.207 1.00 0.00 N ATOM 1141 NH2 ARG A 73 4.586 31.575 -4.384 1.00 0.00 N ATOM 0 H ARG A 73 6.649 24.904 -0.108 1.00 0.00 H new ATOM 0 HA ARG A 73 7.940 27.347 -0.876 1.00 0.00 H new ATOM 0 HB2 ARG A 73 6.634 26.080 -2.464 1.00 0.00 H new ATOM 0 HB3 ARG A 73 5.268 25.978 -1.371 1.00 0.00 H new ATOM 0 HG2 ARG A 73 4.820 27.597 -3.158 1.00 0.00 H new ATOM 0 HG3 ARG A 73 4.860 28.400 -1.601 1.00 0.00 H new ATOM 0 HD2 ARG A 73 7.017 29.358 -2.021 1.00 0.00 H new ATOM 0 HD3 ARG A 73 7.328 28.279 -3.367 1.00 0.00 H new ATOM 0 HE ARG A 73 6.292 29.811 -4.751 1.00 0.00 H new ATOM 0 HH11 ARG A 73 4.963 30.233 -1.483 1.00 0.00 H new ATOM 0 HH12 ARG A 73 3.914 31.566 -1.974 1.00 0.00 H new ATOM 0 HH21 ARG A 73 4.920 31.506 -5.345 1.00 0.00 H new ATOM 0 HH22 ARG A 73 3.890 32.278 -4.135 1.00 0.00 H new ATOM 1155 N ASN A 74 5.417 27.492 1.244 1.00 0.00 N ATOM 1156 CA ASN A 74 4.724 28.375 2.169 1.00 0.00 C ATOM 1157 C ASN A 74 5.558 28.703 3.409 1.00 0.00 C ATOM 1158 O ASN A 74 5.235 29.654 4.118 1.00 0.00 O ATOM 1159 CB ASN A 74 3.375 27.748 2.537 1.00 0.00 C ATOM 1160 CG ASN A 74 2.407 27.805 1.358 1.00 0.00 C ATOM 1161 OD1 ASN A 74 2.255 28.844 0.724 1.00 0.00 O ATOM 1162 ND2 ASN A 74 1.744 26.693 1.059 1.00 0.00 N ATOM 0 H ASN A 74 5.105 26.521 1.279 1.00 0.00 H new ATOM 0 HA ASN A 74 4.555 29.332 1.674 1.00 0.00 H new ATOM 0 HB2 ASN A 74 3.522 26.712 2.842 1.00 0.00 H new ATOM 0 HB3 ASN A 74 2.946 28.273 3.390 1.00 0.00 H new ATOM 0 HD21 ASN A 74 1.084 26.686 0.281 1.00 0.00 H new ATOM 0 HD22 ASN A 74 1.895 25.846 1.607 1.00 0.00 H new ATOM 1169 N ALA A 75 6.623 27.941 3.682 1.00 0.00 N ATOM 1170 CA ALA A 75 7.484 28.212 4.823 1.00 0.00 C ATOM 1171 C ALA A 75 8.437 29.380 4.551 1.00 0.00 C ATOM 1172 O ALA A 75 8.799 30.113 5.468 1.00 0.00 O ATOM 1173 CB ALA A 75 8.278 26.948 5.147 1.00 0.00 C ATOM 0 H ALA A 75 6.904 27.134 3.125 1.00 0.00 H new ATOM 0 HA ALA A 75 6.861 28.496 5.671 1.00 0.00 H new ATOM 0 HB1 ALA A 75 8.929 27.136 6.001 1.00 0.00 H new ATOM 0 HB2 ALA A 75 7.590 26.137 5.387 1.00 0.00 H new ATOM 0 HB3 ALA A 75 8.883 26.667 4.285 1.00 0.00 H new ATOM 1179 N VAL A 76 8.847 29.566 3.292 1.00 0.00 N ATOM 1180 CA VAL A 76 9.815 30.597 2.933 1.00 0.00 C ATOM 1181 C VAL A 76 9.130 31.956 2.771 1.00 0.00 C ATOM 1182 O VAL A 76 9.801 32.980 2.668 1.00 0.00 O ATOM 1183 CB VAL A 76 10.552 30.175 1.651 1.00 0.00 C ATOM 1184 CG1 VAL A 76 11.579 31.215 1.197 1.00 0.00 C ATOM 1185 CG2 VAL A 76 11.295 28.859 1.895 1.00 0.00 C ATOM 0 H VAL A 76 8.518 29.010 2.503 1.00 0.00 H new ATOM 0 HA VAL A 76 10.545 30.705 3.735 1.00 0.00 H new ATOM 0 HB VAL A 76 9.796 30.070 0.873 1.00 0.00 H new ATOM 0 HG11 VAL A 76 12.071 30.868 0.288 1.00 0.00 H new ATOM 0 HG12 VAL A 76 11.075 32.161 0.999 1.00 0.00 H new ATOM 0 HG13 VAL A 76 12.323 31.357 1.980 1.00 0.00 H new ATOM 0 HG21 VAL A 76 11.817 28.562 0.985 1.00 0.00 H new ATOM 0 HG22 VAL A 76 12.017 28.993 2.700 1.00 0.00 H new ATOM 0 HG23 VAL A 76 10.581 28.084 2.173 1.00 0.00 H new ATOM 1195 N MET A 77 7.795 31.981 2.751 1.00 0.00 N ATOM 1196 CA MET A 77 7.056 33.214 2.533 1.00 0.00 C ATOM 1197 C MET A 77 6.760 33.969 3.827 1.00 0.00 C ATOM 1198 O MET A 77 6.335 35.123 3.769 1.00 0.00 O ATOM 1199 CB MET A 77 5.745 32.890 1.816 1.00 0.00 C ATOM 1200 CG MET A 77 5.989 32.243 0.454 1.00 0.00 C ATOM 1201 SD MET A 77 6.579 33.361 -0.848 1.00 0.00 S ATOM 1202 CE MET A 77 8.356 33.034 -0.757 1.00 0.00 C ATOM 0 H MET A 77 7.209 31.157 2.884 1.00 0.00 H new ATOM 0 HA MET A 77 7.682 33.866 1.924 1.00 0.00 H new ATOM 0 HB2 MET A 77 5.148 32.220 2.435 1.00 0.00 H new ATOM 0 HB3 MET A 77 5.166 33.804 1.686 1.00 0.00 H new ATOM 0 HG2 MET A 77 6.717 31.441 0.577 1.00 0.00 H new ATOM 0 HG3 MET A 77 5.060 31.781 0.119 1.00 0.00 H new ATOM 0 HE1 MET A 77 8.890 33.969 -0.588 1.00 0.00 H new ATOM 0 HE2 MET A 77 8.558 32.347 0.065 1.00 0.00 H new ATOM 0 HE3 MET A 77 8.692 32.588 -1.693 1.00 0.00 H new ATOM 1212 N SER A 78 6.973 33.348 4.994 1.00 0.00 N ATOM 1213 CA SER A 78 6.659 34.007 6.256 1.00 0.00 C ATOM 1214 C SER A 78 7.504 33.523 7.435 1.00 0.00 C ATOM 1215 O SER A 78 7.600 34.239 8.431 1.00 0.00 O ATOM 1216 CB SER A 78 5.180 33.778 6.559 1.00 0.00 C ATOM 1217 OG SER A 78 4.941 32.412 6.810 1.00 0.00 O ATOM 0 H SER A 78 7.355 32.407 5.085 1.00 0.00 H new ATOM 0 HA SER A 78 6.890 35.065 6.136 1.00 0.00 H new ATOM 0 HB2 SER A 78 4.882 34.372 7.423 1.00 0.00 H new ATOM 0 HB3 SER A 78 4.573 34.112 5.718 1.00 0.00 H new ATOM 0 HG SER A 78 3.990 32.277 7.005 1.00 0.00 H new ATOM 1223 N LEU A 79 8.121 32.337 7.355 1.00 0.00 N ATOM 1224 CA LEU A 79 8.938 31.828 8.445 1.00 0.00 C ATOM 1225 C LEU A 79 10.427 31.940 8.116 1.00 0.00 C ATOM 1226 O LEU A 79 11.227 32.293 8.980 1.00 0.00 O ATOM 1227 CB LEU A 79 8.566 30.365 8.720 1.00 0.00 C ATOM 1228 CG LEU A 79 7.070 30.175 8.983 1.00 0.00 C ATOM 1229 CD1 LEU A 79 6.795 28.701 9.270 1.00 0.00 C ATOM 1230 CD2 LEU A 79 6.614 30.997 10.185 1.00 0.00 C ATOM 0 H LEU A 79 8.065 31.719 6.545 1.00 0.00 H new ATOM 0 HA LEU A 79 8.746 32.428 9.334 1.00 0.00 H new ATOM 0 HB2 LEU A 79 8.861 29.753 7.868 1.00 0.00 H new ATOM 0 HB3 LEU A 79 9.130 30.007 9.581 1.00 0.00 H new ATOM 0 HG LEU A 79 6.523 30.507 8.101 1.00 0.00 H new ATOM 0 HD11 LEU A 79 5.731 28.559 9.458 1.00 0.00 H new ATOM 0 HD12 LEU A 79 7.095 28.101 8.411 1.00 0.00 H new ATOM 0 HD13 LEU A 79 7.363 28.389 10.146 1.00 0.00 H new ATOM 0 HD21 LEU A 79 5.547 30.842 10.348 1.00 0.00 H new ATOM 0 HD22 LEU A 79 7.166 30.683 11.071 1.00 0.00 H new ATOM 0 HD23 LEU A 79 6.803 32.054 9.996 1.00 0.00 H new ATOM 1242 N MET A 80 10.787 31.637 6.864 1.00 0.00 N ATOM 1243 CA MET A 80 12.156 31.690 6.362 1.00 0.00 C ATOM 1244 C MET A 80 13.143 30.927 7.248 1.00 0.00 C ATOM 1245 O MET A 80 14.352 31.129 7.132 1.00 0.00 O ATOM 1246 CB MET A 80 12.583 33.142 6.142 1.00 0.00 C ATOM 1247 CG MET A 80 11.529 33.877 5.309 1.00 0.00 C ATOM 1248 SD MET A 80 12.023 35.523 4.739 1.00 0.00 S ATOM 1249 CE MET A 80 13.122 35.034 3.387 1.00 0.00 C ATOM 0 H MET A 80 10.114 31.341 6.157 1.00 0.00 H new ATOM 0 HA MET A 80 12.173 31.178 5.400 1.00 0.00 H new ATOM 0 HB2 MET A 80 12.713 33.641 7.102 1.00 0.00 H new ATOM 0 HB3 MET A 80 13.547 33.173 5.634 1.00 0.00 H new ATOM 0 HG2 MET A 80 11.282 33.266 4.441 1.00 0.00 H new ATOM 0 HG3 MET A 80 10.619 33.971 5.902 1.00 0.00 H new ATOM 0 HE1 MET A 80 14.065 35.575 3.471 1.00 0.00 H new ATOM 0 HE2 MET A 80 13.312 33.962 3.442 1.00 0.00 H new ATOM 0 HE3 MET A 80 12.652 35.270 2.432 1.00 0.00 H new ATOM 1259 N GLN A 81 12.637 30.054 8.129 1.00 0.00 N ATOM 1260 CA GLN A 81 13.439 29.290 9.075 1.00 0.00 C ATOM 1261 C GLN A 81 14.363 30.194 9.907 1.00 0.00 C ATOM 1262 O GLN A 81 15.390 29.754 10.420 1.00 0.00 O ATOM 1263 CB GLN A 81 14.126 28.134 8.328 1.00 0.00 C ATOM 1264 CG GLN A 81 15.035 27.235 9.176 1.00 0.00 C ATOM 1265 CD GLN A 81 14.354 26.698 10.431 1.00 0.00 C ATOM 1266 OE1 GLN A 81 13.132 26.610 10.503 1.00 0.00 O ATOM 1267 NE2 GLN A 81 15.145 26.334 11.436 1.00 0.00 N ATOM 0 H GLN A 81 11.638 29.860 8.200 1.00 0.00 H new ATOM 0 HA GLN A 81 12.805 28.829 9.833 1.00 0.00 H new ATOM 0 HB2 GLN A 81 13.355 27.512 7.873 1.00 0.00 H new ATOM 0 HB3 GLN A 81 14.719 28.554 7.515 1.00 0.00 H new ATOM 0 HG2 GLN A 81 15.374 26.396 8.568 1.00 0.00 H new ATOM 0 HG3 GLN A 81 15.923 27.798 9.465 1.00 0.00 H new ATOM 0 HE21 GLN A 81 16.157 26.419 11.345 1.00 0.00 H new ATOM 0 HE22 GLN A 81 14.739 25.969 12.298 1.00 0.00 H new