USER MOD reduce.3.24.130724 H: found=0, std=0, add=582, rem=0, adj=17 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= 0.0987 K(o=1,f=-5.2!) USER MOD Set 1.2: A 68 GLN : amide:sc= 0.937 K(o=1,f=-4.6!) USER MOD Set 2.1: A 19 THR OG1 : rot 180:sc= 0.0369 USER MOD Set 2.2: A 51 GLN : amide:sc= -0.348 X(o=-0.31,f=-0.42) USER MOD Set 2.3: A 57 THR OG1 : rot 180:sc= 0 USER MOD Single : A 12 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 14 LYS NZ :NH3+ 165:sc= 0.98 (180deg=0.621) USER MOD Single : A 15 GLN : amide:sc= -1.05 X(o=-1.1,f=-1.1) USER MOD Single : A 20 THR OG1 : rot 180:sc= 0 USER MOD Single : A 24 LYS NZ :NH3+ -160:sc= 1.29 (180deg=0.899) USER MOD Single : A 28 ASN : amide:sc= -0.127 K(o=-0.13,f=-1.3) USER MOD Single : A 33 LYS NZ :NH3+ 177:sc= 1.16 (180deg=1.14) USER MOD Single : A 34 LYS NZ :NH3+ 157:sc= 0.622 (180deg=0.342) USER MOD Single : A 35 HIS : no HD1:sc= 0 X(o=0,f=0) USER MOD Single : A 39 GLN : amide:sc= -0.002 K(o=-0.002,f=-0.66) USER MOD Single : A 41 ASN : amide:sc= 0 K(o=0,f=-0.87) USER MOD Single : A 42 CYS SG : rot 45:sc= -0.151 USER MOD Single : A 45 THR OG1 : rot 180:sc=-0.00315 USER MOD Single : A 47 HIS : +bothHN:sc= 1.68 K(o=1.7,f=-5.2!) USER MOD Single : A 48 THR OG1 : rot 180:sc= 0 USER MOD Single : A 52 SER OG : rot -134:sc= 0.646 USER MOD Single : A 53 SER OG : rot -34:sc= 0.0584 USER MOD Single : A 64 GLN : amide:sc= 0 K(o=0,f=-0.74) USER MOD Single : A 66 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 69 CYS SG : rot 180:sc= -0.244 USER MOD Single : A 70 GLN : amide:sc= -0.188 K(o=-0.19,f=-1.3) USER MOD Single : A 74 ASN : amide:sc= 0 X(o=0,f=-0.22) USER MOD Single : A 77 MET CE :methyl -100:sc= -0.182 (180deg=-1.02) USER MOD Single : A 78 SER OG : rot 180:sc= 0 USER MOD Single : A 80 MET CE :methyl 134:sc= -0.073 (180deg=-0.532) USER MOD Single : A 81 GLN : amide:sc= -0.383 K(o=-0.38,f=-1.3) USER MOD ----------------------------------------------------------------- ATOM 128 N VAL A 10 9.305 14.876 -10.926 1.00 0.00 N ATOM 129 CA VAL A 10 9.249 15.629 -9.679 1.00 0.00 C ATOM 130 C VAL A 10 8.477 16.924 -9.916 1.00 0.00 C ATOM 131 O VAL A 10 8.381 17.409 -11.043 1.00 0.00 O ATOM 132 CB VAL A 10 10.666 15.955 -9.183 1.00 0.00 C ATOM 133 CG1 VAL A 10 11.394 14.688 -8.734 1.00 0.00 C ATOM 134 CG2 VAL A 10 11.502 16.644 -10.265 1.00 0.00 C ATOM 0 HA VAL A 10 8.747 15.029 -8.920 1.00 0.00 H new ATOM 0 HB VAL A 10 10.551 16.634 -8.338 1.00 0.00 H new ATOM 0 HG11 VAL A 10 12.395 14.947 -8.388 1.00 0.00 H new ATOM 0 HG12 VAL A 10 10.839 14.218 -7.922 1.00 0.00 H new ATOM 0 HG13 VAL A 10 11.468 13.995 -9.572 1.00 0.00 H new ATOM 0 HG21 VAL A 10 12.497 16.858 -9.875 1.00 0.00 H new ATOM 0 HG22 VAL A 10 11.585 15.989 -11.132 1.00 0.00 H new ATOM 0 HG23 VAL A 10 11.020 17.576 -10.559 1.00 0.00 H new ATOM 144 N GLU A 11 7.926 17.477 -8.836 1.00 0.00 N ATOM 145 CA GLU A 11 7.183 18.727 -8.859 1.00 0.00 C ATOM 146 C GLU A 11 8.135 19.918 -8.798 1.00 0.00 C ATOM 147 O GLU A 11 9.288 19.783 -8.387 1.00 0.00 O ATOM 148 CB GLU A 11 6.203 18.753 -7.682 1.00 0.00 C ATOM 149 CG GLU A 11 5.124 17.680 -7.842 1.00 0.00 C ATOM 150 CD GLU A 11 4.219 17.912 -9.054 1.00 0.00 C ATOM 151 OE1 GLU A 11 3.463 16.975 -9.388 1.00 0.00 O ATOM 152 OE2 GLU A 11 4.283 19.019 -9.636 1.00 0.00 O ATOM 0 H GLU A 11 7.987 17.059 -7.908 1.00 0.00 H new ATOM 0 HA GLU A 11 6.623 18.797 -9.791 1.00 0.00 H new ATOM 0 HB2 GLU A 11 6.745 18.593 -6.750 1.00 0.00 H new ATOM 0 HB3 GLU A 11 5.736 19.736 -7.615 1.00 0.00 H new ATOM 0 HG2 GLU A 11 5.602 16.705 -7.935 1.00 0.00 H new ATOM 0 HG3 GLU A 11 4.513 17.651 -6.940 1.00 0.00 H new ATOM 159 N LYS A 12 7.645 21.089 -9.211 1.00 0.00 N ATOM 160 CA LYS A 12 8.421 22.323 -9.214 1.00 0.00 C ATOM 161 C LYS A 12 7.573 23.540 -8.878 1.00 0.00 C ATOM 162 O LYS A 12 6.380 23.581 -9.181 1.00 0.00 O ATOM 163 CB LYS A 12 9.113 22.522 -10.567 1.00 0.00 C ATOM 164 CG LYS A 12 10.482 21.847 -10.585 1.00 0.00 C ATOM 165 CD LYS A 12 11.181 22.120 -11.912 1.00 0.00 C ATOM 166 CE LYS A 12 12.612 21.587 -11.855 1.00 0.00 C ATOM 167 NZ LYS A 12 13.321 21.827 -13.127 1.00 0.00 N ATOM 0 H LYS A 12 6.692 21.204 -9.554 1.00 0.00 H new ATOM 0 HA LYS A 12 9.176 22.224 -8.434 1.00 0.00 H new ATOM 0 HB2 LYS A 12 8.490 22.111 -11.362 1.00 0.00 H new ATOM 0 HB3 LYS A 12 9.226 23.587 -10.769 1.00 0.00 H new ATOM 0 HG2 LYS A 12 11.091 22.219 -9.761 1.00 0.00 H new ATOM 0 HG3 LYS A 12 10.369 20.773 -10.438 1.00 0.00 H new ATOM 0 HD2 LYS A 12 10.636 21.643 -12.727 1.00 0.00 H new ATOM 0 HD3 LYS A 12 11.188 23.190 -12.118 1.00 0.00 H new ATOM 0 HE2 LYS A 12 13.150 22.069 -11.039 1.00 0.00 H new ATOM 0 HE3 LYS A 12 12.597 20.519 -11.640 1.00 0.00 H new ATOM 0 HZ1 LYS A 12 14.290 21.455 -13.060 1.00 0.00 H new ATOM 0 HZ2 LYS A 12 12.819 21.347 -13.901 1.00 0.00 H new ATOM 0 HZ3 LYS A 12 13.355 22.849 -13.318 1.00 0.00 H new ATOM 181 N ILE A 13 8.214 24.530 -8.252 1.00 0.00 N ATOM 182 CA ILE A 13 7.634 25.824 -7.914 1.00 0.00 C ATOM 183 C ILE A 13 8.722 26.881 -8.076 1.00 0.00 C ATOM 184 O ILE A 13 9.905 26.578 -7.912 1.00 0.00 O ATOM 185 CB ILE A 13 7.062 25.815 -6.489 1.00 0.00 C ATOM 186 CG1 ILE A 13 5.907 24.808 -6.381 1.00 0.00 C ATOM 187 CG2 ILE A 13 6.583 27.213 -6.087 1.00 0.00 C ATOM 188 CD1 ILE A 13 5.300 24.773 -4.976 1.00 0.00 C ATOM 0 H ILE A 13 9.187 24.445 -7.957 1.00 0.00 H new ATOM 0 HA ILE A 13 6.801 26.050 -8.579 1.00 0.00 H new ATOM 0 HB ILE A 13 7.856 25.513 -5.806 1.00 0.00 H new ATOM 0 HG12 ILE A 13 5.133 25.067 -7.103 1.00 0.00 H new ATOM 0 HG13 ILE A 13 6.268 23.814 -6.644 1.00 0.00 H new ATOM 0 HG21 ILE A 13 6.182 27.183 -5.074 1.00 0.00 H new ATOM 0 HG22 ILE A 13 7.421 27.909 -6.125 1.00 0.00 H new ATOM 0 HG23 ILE A 13 5.805 27.543 -6.776 1.00 0.00 H new ATOM 0 HD11 ILE A 13 4.488 24.047 -4.949 1.00 0.00 H new ATOM 0 HD12 ILE A 13 6.066 24.487 -4.256 1.00 0.00 H new ATOM 0 HD13 ILE A 13 4.913 25.760 -4.722 1.00 0.00 H new ATOM 200 N LYS A 14 8.335 28.119 -8.390 1.00 0.00 N ATOM 201 CA LYS A 14 9.268 29.223 -8.555 1.00 0.00 C ATOM 202 C LYS A 14 8.654 30.501 -7.994 1.00 0.00 C ATOM 203 O LYS A 14 7.472 30.760 -8.213 1.00 0.00 O ATOM 204 CB LYS A 14 9.625 29.362 -10.039 1.00 0.00 C ATOM 205 CG LYS A 14 10.708 30.419 -10.268 1.00 0.00 C ATOM 206 CD LYS A 14 10.978 30.534 -11.771 1.00 0.00 C ATOM 207 CE LYS A 14 12.175 31.444 -12.071 1.00 0.00 C ATOM 208 NZ LYS A 14 13.426 30.885 -11.520 1.00 0.00 N ATOM 0 H LYS A 14 7.360 28.380 -8.537 1.00 0.00 H new ATOM 0 HA LYS A 14 10.188 29.030 -8.003 1.00 0.00 H new ATOM 0 HB2 LYS A 14 9.969 28.401 -10.421 1.00 0.00 H new ATOM 0 HB3 LYS A 14 8.732 29.629 -10.604 1.00 0.00 H new ATOM 0 HG2 LYS A 14 10.387 31.381 -9.868 1.00 0.00 H new ATOM 0 HG3 LYS A 14 11.621 30.143 -9.741 1.00 0.00 H new ATOM 0 HD2 LYS A 14 11.164 29.542 -12.183 1.00 0.00 H new ATOM 0 HD3 LYS A 14 10.091 30.925 -12.270 1.00 0.00 H new ATOM 0 HE2 LYS A 14 12.275 31.573 -13.149 1.00 0.00 H new ATOM 0 HE3 LYS A 14 11.998 32.432 -11.647 1.00 0.00 H new ATOM 0 HZ1 LYS A 14 14.241 31.372 -11.945 1.00 0.00 H new ATOM 0 HZ2 LYS A 14 13.441 31.019 -10.489 1.00 0.00 H new ATOM 0 HZ3 LYS A 14 13.478 29.869 -11.738 1.00 0.00 H new ATOM 222 N GLN A 15 9.446 31.298 -7.274 1.00 0.00 N ATOM 223 CA GLN A 15 8.955 32.533 -6.682 1.00 0.00 C ATOM 224 C GLN A 15 10.097 33.505 -6.385 1.00 0.00 C ATOM 225 O GLN A 15 11.219 33.089 -6.105 1.00 0.00 O ATOM 226 CB GLN A 15 8.165 32.200 -5.410 1.00 0.00 C ATOM 227 CG GLN A 15 7.673 33.458 -4.689 1.00 0.00 C ATOM 228 CD GLN A 15 6.854 34.359 -5.608 1.00 0.00 C ATOM 229 OE1 GLN A 15 6.031 33.893 -6.389 1.00 0.00 O ATOM 230 NE2 GLN A 15 7.075 35.667 -5.518 1.00 0.00 N ATOM 0 H GLN A 15 10.431 31.105 -7.090 1.00 0.00 H new ATOM 0 HA GLN A 15 8.297 33.030 -7.395 1.00 0.00 H new ATOM 0 HB2 GLN A 15 7.311 31.574 -5.668 1.00 0.00 H new ATOM 0 HB3 GLN A 15 8.794 31.619 -4.735 1.00 0.00 H new ATOM 0 HG2 GLN A 15 7.067 33.170 -3.830 1.00 0.00 H new ATOM 0 HG3 GLN A 15 8.528 34.014 -4.304 1.00 0.00 H new ATOM 0 HE21 GLN A 15 7.767 36.023 -4.858 1.00 0.00 H new ATOM 0 HE22 GLN A 15 6.553 36.314 -6.109 1.00 0.00 H new ATOM 239 N TRP A 16 9.801 34.804 -6.449 1.00 0.00 N ATOM 240 CA TRP A 16 10.751 35.869 -6.184 1.00 0.00 C ATOM 241 C TRP A 16 10.706 36.305 -4.723 1.00 0.00 C ATOM 242 O TRP A 16 9.651 36.258 -4.088 1.00 0.00 O ATOM 243 CB TRP A 16 10.415 37.053 -7.093 1.00 0.00 C ATOM 244 CG TRP A 16 10.430 36.743 -8.554 1.00 0.00 C ATOM 245 CD1 TRP A 16 9.435 36.126 -9.233 1.00 0.00 C ATOM 246 CD2 TRP A 16 11.496 36.967 -9.529 1.00 0.00 C ATOM 247 NE1 TRP A 16 9.809 35.951 -10.549 1.00 0.00 N ATOM 248 CE2 TRP A 16 11.069 36.465 -10.789 1.00 0.00 C ATOM 249 CE3 TRP A 16 12.769 37.561 -9.475 1.00 0.00 C ATOM 250 CZ2 TRP A 16 11.872 36.541 -11.933 1.00 0.00 C ATOM 251 CZ3 TRP A 16 13.579 37.649 -10.620 1.00 0.00 C ATOM 252 CH2 TRP A 16 13.137 37.138 -11.848 1.00 0.00 C ATOM 0 H TRP A 16 8.871 35.146 -6.693 1.00 0.00 H new ATOM 0 HA TRP A 16 11.759 35.506 -6.386 1.00 0.00 H new ATOM 0 HB2 TRP A 16 9.428 37.430 -6.826 1.00 0.00 H new ATOM 0 HB3 TRP A 16 11.126 37.856 -6.899 1.00 0.00 H new ATOM 0 HD1 TRP A 16 8.491 35.817 -8.809 1.00 0.00 H new ATOM 0 HE1 TRP A 16 9.229 35.499 -11.256 1.00 0.00 H new ATOM 0 HE3 TRP A 16 13.131 37.957 -8.537 1.00 0.00 H new ATOM 0 HZ2 TRP A 16 11.520 36.143 -12.873 1.00 0.00 H new ATOM 0 HZ3 TRP A 16 14.551 38.115 -10.553 1.00 0.00 H new ATOM 0 HH2 TRP A 16 13.767 37.204 -12.723 1.00 0.00 H new ATOM 263 N ILE A 17 11.856 36.731 -4.200 1.00 0.00 N ATOM 264 CA ILE A 17 11.980 37.280 -2.856 1.00 0.00 C ATOM 265 C ILE A 17 12.929 38.476 -2.940 1.00 0.00 C ATOM 266 O ILE A 17 13.848 38.471 -3.761 1.00 0.00 O ATOM 267 CB ILE A 17 12.499 36.214 -1.874 1.00 0.00 C ATOM 268 CG1 ILE A 17 14.024 36.052 -1.975 1.00 0.00 C ATOM 269 CG2 ILE A 17 11.777 34.873 -2.066 1.00 0.00 C ATOM 270 CD1 ILE A 17 14.550 34.987 -1.014 1.00 0.00 C ATOM 0 H ILE A 17 12.739 36.702 -4.709 1.00 0.00 H new ATOM 0 HA ILE A 17 11.009 37.599 -2.478 1.00 0.00 H new ATOM 0 HB ILE A 17 12.274 36.563 -0.866 1.00 0.00 H new ATOM 0 HG12 ILE A 17 14.293 35.784 -2.997 1.00 0.00 H new ATOM 0 HG13 ILE A 17 14.505 37.006 -1.758 1.00 0.00 H new ATOM 0 HG21 ILE A 17 12.169 34.144 -1.356 1.00 0.00 H new ATOM 0 HG22 ILE A 17 10.709 35.007 -1.896 1.00 0.00 H new ATOM 0 HG23 ILE A 17 11.940 34.514 -3.082 1.00 0.00 H new ATOM 0 HD11 ILE A 17 15.632 34.905 -1.118 1.00 0.00 H new ATOM 0 HD12 ILE A 17 14.304 35.268 0.010 1.00 0.00 H new ATOM 0 HD13 ILE A 17 14.089 34.027 -1.247 1.00 0.00 H new ATOM 282 N PRO A 18 12.729 39.506 -2.108 1.00 0.00 N ATOM 283 CA PRO A 18 13.554 40.698 -2.121 1.00 0.00 C ATOM 284 C PRO A 18 14.991 40.334 -1.759 1.00 0.00 C ATOM 285 O PRO A 18 15.220 39.476 -0.907 1.00 0.00 O ATOM 286 CB PRO A 18 12.923 41.643 -1.097 1.00 0.00 C ATOM 287 CG PRO A 18 12.181 40.699 -0.154 1.00 0.00 C ATOM 288 CD PRO A 18 11.702 39.594 -1.086 1.00 0.00 C ATOM 0 HA PRO A 18 13.597 41.172 -3.101 1.00 0.00 H new ATOM 0 HB2 PRO A 18 13.678 42.226 -0.570 1.00 0.00 H new ATOM 0 HB3 PRO A 18 12.245 42.353 -1.570 1.00 0.00 H new ATOM 0 HG2 PRO A 18 12.835 40.313 0.628 1.00 0.00 H new ATOM 0 HG3 PRO A 18 11.349 41.197 0.344 1.00 0.00 H new ATOM 0 HD2 PRO A 18 11.589 38.649 -0.555 1.00 0.00 H new ATOM 0 HD3 PRO A 18 10.731 39.834 -1.519 1.00 0.00 H new ATOM 296 N THR A 19 15.960 40.985 -2.408 1.00 0.00 N ATOM 297 CA THR A 19 17.371 40.697 -2.178 1.00 0.00 C ATOM 298 C THR A 19 17.856 40.919 -0.749 1.00 0.00 C ATOM 299 O THR A 19 18.924 40.441 -0.371 1.00 0.00 O ATOM 300 CB THR A 19 18.262 41.363 -3.233 1.00 0.00 C ATOM 301 OG1 THR A 19 17.559 41.508 -4.449 1.00 0.00 O ATOM 302 CG2 THR A 19 19.528 40.551 -3.479 1.00 0.00 C ATOM 0 H THR A 19 15.788 41.716 -3.098 1.00 0.00 H new ATOM 0 HA THR A 19 17.466 39.619 -2.304 1.00 0.00 H new ATOM 0 HB THR A 19 18.544 42.345 -2.853 1.00 0.00 H new ATOM 0 HG1 THR A 19 18.139 41.936 -5.113 1.00 0.00 H new ATOM 0 HG21 THR A 19 20.139 41.049 -4.232 1.00 0.00 H new ATOM 0 HG22 THR A 19 20.093 40.467 -2.551 1.00 0.00 H new ATOM 0 HG23 THR A 19 19.259 39.555 -3.831 1.00 0.00 H new ATOM 310 N THR A 20 17.067 41.644 0.048 1.00 0.00 N ATOM 311 CA THR A 20 17.355 41.871 1.459 1.00 0.00 C ATOM 312 C THR A 20 17.024 40.697 2.376 1.00 0.00 C ATOM 313 O THR A 20 17.424 40.688 3.538 1.00 0.00 O ATOM 314 CB THR A 20 16.741 43.183 1.957 1.00 0.00 C ATOM 315 OG1 THR A 20 15.429 42.944 2.423 1.00 0.00 O ATOM 316 CG2 THR A 20 16.685 44.249 0.862 1.00 0.00 C ATOM 0 H THR A 20 16.208 42.090 -0.273 1.00 0.00 H new ATOM 0 HA THR A 20 18.440 41.962 1.515 1.00 0.00 H new ATOM 0 HB THR A 20 17.378 43.554 2.760 1.00 0.00 H new ATOM 0 HG1 THR A 20 15.038 43.783 2.743 1.00 0.00 H new ATOM 0 HG21 THR A 20 16.242 45.160 1.264 1.00 0.00 H new ATOM 0 HG22 THR A 20 17.694 44.461 0.509 1.00 0.00 H new ATOM 0 HG23 THR A 20 16.079 43.886 0.032 1.00 0.00 H new ATOM 324 N GLU A 21 16.293 39.705 1.854 1.00 0.00 N ATOM 325 CA GLU A 21 15.926 38.516 2.615 1.00 0.00 C ATOM 326 C GLU A 21 16.609 37.266 2.066 1.00 0.00 C ATOM 327 O GLU A 21 16.463 36.184 2.632 1.00 0.00 O ATOM 328 CB GLU A 21 14.406 38.338 2.619 1.00 0.00 C ATOM 329 CG GLU A 21 13.666 39.551 3.186 1.00 0.00 C ATOM 330 CD GLU A 21 13.988 39.827 4.656 1.00 0.00 C ATOM 331 OE1 GLU A 21 14.605 38.954 5.305 1.00 0.00 O ATOM 332 OE2 GLU A 21 13.608 40.922 5.129 1.00 0.00 O ATOM 0 H GLU A 21 15.943 39.708 0.896 1.00 0.00 H new ATOM 0 HA GLU A 21 16.269 38.656 3.640 1.00 0.00 H new ATOM 0 HB2 GLU A 21 14.064 38.154 1.601 1.00 0.00 H new ATOM 0 HB3 GLU A 21 14.150 37.456 3.206 1.00 0.00 H new ATOM 0 HG2 GLU A 21 13.920 40.431 2.595 1.00 0.00 H new ATOM 0 HG3 GLU A 21 12.593 39.394 3.080 1.00 0.00 H new ATOM 339 N VAL A 22 17.363 37.396 0.968 1.00 0.00 N ATOM 340 CA VAL A 22 18.103 36.268 0.411 1.00 0.00 C ATOM 341 C VAL A 22 19.149 35.819 1.429 1.00 0.00 C ATOM 342 O VAL A 22 19.551 34.657 1.441 1.00 0.00 O ATOM 343 CB VAL A 22 18.776 36.713 -0.893 1.00 0.00 C ATOM 344 CG1 VAL A 22 19.774 35.674 -1.398 1.00 0.00 C ATOM 345 CG2 VAL A 22 17.721 36.931 -1.977 1.00 0.00 C ATOM 0 H VAL A 22 17.474 38.269 0.453 1.00 0.00 H new ATOM 0 HA VAL A 22 17.434 35.434 0.197 1.00 0.00 H new ATOM 0 HB VAL A 22 19.308 37.640 -0.681 1.00 0.00 H new ATOM 0 HG11 VAL A 22 20.229 36.027 -2.323 1.00 0.00 H new ATOM 0 HG12 VAL A 22 20.550 35.520 -0.648 1.00 0.00 H new ATOM 0 HG13 VAL A 22 19.257 34.733 -1.584 1.00 0.00 H new ATOM 0 HG21 VAL A 22 18.207 37.247 -2.900 1.00 0.00 H new ATOM 0 HG22 VAL A 22 17.181 36.000 -2.152 1.00 0.00 H new ATOM 0 HG23 VAL A 22 17.021 37.701 -1.654 1.00 0.00 H new ATOM 355 N GLY A 23 19.596 36.739 2.293 1.00 0.00 N ATOM 356 CA GLY A 23 20.585 36.442 3.314 1.00 0.00 C ATOM 357 C GLY A 23 20.012 35.569 4.425 1.00 0.00 C ATOM 358 O GLY A 23 20.774 35.005 5.210 1.00 0.00 O ATOM 0 H GLY A 23 19.277 37.708 2.297 1.00 0.00 H new ATOM 0 HA2 GLY A 23 21.437 35.937 2.858 1.00 0.00 H new ATOM 0 HA3 GLY A 23 20.958 37.373 3.740 1.00 0.00 H new ATOM 362 N LYS A 24 18.681 35.442 4.504 1.00 0.00 N ATOM 363 CA LYS A 24 18.049 34.588 5.502 1.00 0.00 C ATOM 364 C LYS A 24 18.124 33.131 5.069 1.00 0.00 C ATOM 365 O LYS A 24 18.226 32.244 5.911 1.00 0.00 O ATOM 366 CB LYS A 24 16.581 34.986 5.691 1.00 0.00 C ATOM 367 CG LYS A 24 16.391 36.461 6.059 1.00 0.00 C ATOM 368 CD LYS A 24 17.202 36.844 7.299 1.00 0.00 C ATOM 369 CE LYS A 24 16.797 38.229 7.808 1.00 0.00 C ATOM 370 NZ LYS A 24 16.938 39.267 6.766 1.00 0.00 N ATOM 0 H LYS A 24 18.026 35.922 3.886 1.00 0.00 H new ATOM 0 HA LYS A 24 18.579 34.713 6.446 1.00 0.00 H new ATOM 0 HB2 LYS A 24 16.034 34.776 4.772 1.00 0.00 H new ATOM 0 HB3 LYS A 24 16.142 34.365 6.472 1.00 0.00 H new ATOM 0 HG2 LYS A 24 16.692 37.087 5.219 1.00 0.00 H new ATOM 0 HG3 LYS A 24 15.334 36.658 6.240 1.00 0.00 H new ATOM 0 HD2 LYS A 24 17.046 36.104 8.084 1.00 0.00 H new ATOM 0 HD3 LYS A 24 18.265 36.836 7.060 1.00 0.00 H new ATOM 0 HE2 LYS A 24 15.763 38.200 8.153 1.00 0.00 H new ATOM 0 HE3 LYS A 24 17.413 38.493 8.668 1.00 0.00 H new ATOM 0 HZ1 LYS A 24 16.988 40.204 7.214 1.00 0.00 H new ATOM 0 HZ2 LYS A 24 17.808 39.097 6.222 1.00 0.00 H new ATOM 0 HZ3 LYS A 24 16.118 39.232 6.128 1.00 0.00 H new ATOM 384 N ILE A 25 18.076 32.883 3.758 1.00 0.00 N ATOM 385 CA ILE A 25 18.088 31.531 3.214 1.00 0.00 C ATOM 386 C ILE A 25 19.517 31.020 3.058 1.00 0.00 C ATOM 387 O ILE A 25 19.809 29.875 3.393 1.00 0.00 O ATOM 388 CB ILE A 25 17.388 31.535 1.847 1.00 0.00 C ATOM 389 CG1 ILE A 25 15.962 32.082 1.956 1.00 0.00 C ATOM 390 CG2 ILE A 25 17.382 30.124 1.255 1.00 0.00 C ATOM 391 CD1 ILE A 25 15.297 32.147 0.580 1.00 0.00 C ATOM 0 H ILE A 25 18.028 33.614 3.049 1.00 0.00 H new ATOM 0 HA ILE A 25 17.562 30.869 3.902 1.00 0.00 H new ATOM 0 HB ILE A 25 17.944 32.194 1.180 1.00 0.00 H new ATOM 0 HG12 ILE A 25 15.374 31.447 2.619 1.00 0.00 H new ATOM 0 HG13 ILE A 25 15.982 33.076 2.402 1.00 0.00 H new ATOM 0 HG21 ILE A 25 16.883 30.138 0.286 1.00 0.00 H new ATOM 0 HG22 ILE A 25 18.408 29.777 1.130 1.00 0.00 H new ATOM 0 HG23 ILE A 25 16.850 29.450 1.927 1.00 0.00 H new ATOM 0 HD11 ILE A 25 14.285 32.539 0.683 1.00 0.00 H new ATOM 0 HD12 ILE A 25 15.875 32.802 -0.073 1.00 0.00 H new ATOM 0 HD13 ILE A 25 15.257 31.147 0.148 1.00 0.00 H new ATOM 403 N LEU A 26 20.404 31.876 2.546 1.00 0.00 N ATOM 404 CA LEU A 26 21.780 31.507 2.256 1.00 0.00 C ATOM 405 C LEU A 26 22.723 31.816 3.418 1.00 0.00 C ATOM 406 O LEU A 26 23.925 31.570 3.313 1.00 0.00 O ATOM 407 CB LEU A 26 22.229 32.198 0.967 1.00 0.00 C ATOM 408 CG LEU A 26 21.306 31.886 -0.216 1.00 0.00 C ATOM 409 CD1 LEU A 26 21.834 32.603 -1.454 1.00 0.00 C ATOM 410 CD2 LEU A 26 21.282 30.385 -0.498 1.00 0.00 C ATOM 0 H LEU A 26 20.182 32.846 2.322 1.00 0.00 H new ATOM 0 HA LEU A 26 21.823 30.427 2.116 1.00 0.00 H new ATOM 0 HB2 LEU A 26 22.258 33.276 1.127 1.00 0.00 H new ATOM 0 HB3 LEU A 26 23.244 31.884 0.725 1.00 0.00 H new ATOM 0 HG LEU A 26 20.297 32.220 0.027 1.00 0.00 H new ATOM 0 HD11 LEU A 26 21.185 32.389 -2.303 1.00 0.00 H new ATOM 0 HD12 LEU A 26 21.851 33.678 -1.273 1.00 0.00 H new ATOM 0 HD13 LEU A 26 22.844 32.256 -1.672 1.00 0.00 H new ATOM 0 HD21 LEU A 26 20.621 30.184 -1.341 1.00 0.00 H new ATOM 0 HD22 LEU A 26 22.289 30.043 -0.737 1.00 0.00 H new ATOM 0 HD23 LEU A 26 20.918 29.855 0.382 1.00 0.00 H new ATOM 422 N GLY A 27 22.198 32.353 4.524 1.00 0.00 N ATOM 423 CA GLY A 27 23.005 32.680 5.686 1.00 0.00 C ATOM 424 C GLY A 27 23.537 31.419 6.360 1.00 0.00 C ATOM 425 O GLY A 27 22.969 30.341 6.198 1.00 0.00 O ATOM 0 H GLY A 27 21.207 32.569 4.631 1.00 0.00 H new ATOM 0 HA2 GLY A 27 23.839 33.315 5.386 1.00 0.00 H new ATOM 0 HA3 GLY A 27 22.409 33.252 6.397 1.00 0.00 H new ATOM 429 N ASN A 28 24.629 31.565 7.120 1.00 0.00 N ATOM 430 CA ASN A 28 25.270 30.465 7.827 1.00 0.00 C ATOM 431 C ASN A 28 25.519 29.283 6.889 1.00 0.00 C ATOM 432 O ASN A 28 25.091 28.163 7.166 1.00 0.00 O ATOM 433 CB ASN A 28 24.429 30.088 9.051 1.00 0.00 C ATOM 434 CG ASN A 28 25.147 29.100 9.964 1.00 0.00 C ATOM 435 OD1 ASN A 28 26.361 28.933 9.888 1.00 0.00 O ATOM 436 ND2 ASN A 28 24.395 28.438 10.838 1.00 0.00 N ATOM 0 H ASN A 28 25.093 32.463 7.259 1.00 0.00 H new ATOM 0 HA ASN A 28 26.251 30.778 8.183 1.00 0.00 H new ATOM 0 HB2 ASN A 28 24.186 30.989 9.614 1.00 0.00 H new ATOM 0 HB3 ASN A 28 23.485 29.654 8.721 1.00 0.00 H new ATOM 0 HD21 ASN A 28 24.824 27.766 11.474 1.00 0.00 H new ATOM 0 HD22 ASN A 28 23.389 28.603 10.873 1.00 0.00 H new ATOM 443 N ARG A 29 26.214 29.531 5.770 1.00 0.00 N ATOM 444 CA ARG A 29 26.516 28.513 4.769 1.00 0.00 C ATOM 445 C ARG A 29 25.249 27.829 4.254 1.00 0.00 C ATOM 446 O ARG A 29 25.242 26.625 4.008 1.00 0.00 O ATOM 447 CB ARG A 29 27.555 27.519 5.304 1.00 0.00 C ATOM 448 CG ARG A 29 28.852 28.231 5.695 1.00 0.00 C ATOM 449 CD ARG A 29 29.869 27.212 6.206 1.00 0.00 C ATOM 450 NE ARG A 29 31.121 27.871 6.597 1.00 0.00 N ATOM 451 CZ ARG A 29 32.199 27.976 5.819 1.00 0.00 C ATOM 452 NH1 ARG A 29 32.201 27.483 4.582 1.00 0.00 N ATOM 453 NH2 ARG A 29 33.291 28.579 6.279 1.00 0.00 N ATOM 0 H ARG A 29 26.583 30.453 5.538 1.00 0.00 H new ATOM 0 HA ARG A 29 26.960 29.006 3.904 1.00 0.00 H new ATOM 0 HB2 ARG A 29 27.149 26.995 6.170 1.00 0.00 H new ATOM 0 HB3 ARG A 29 27.765 26.765 4.545 1.00 0.00 H new ATOM 0 HG2 ARG A 29 29.258 28.764 4.835 1.00 0.00 H new ATOM 0 HG3 ARG A 29 28.651 28.975 6.466 1.00 0.00 H new ATOM 0 HD2 ARG A 29 29.454 26.675 7.059 1.00 0.00 H new ATOM 0 HD3 ARG A 29 30.070 26.472 5.431 1.00 0.00 H new ATOM 0 HE ARG A 29 31.170 28.278 7.531 1.00 0.00 H new ATOM 0 HH11 ARG A 29 31.370 27.017 4.217 1.00 0.00 H new ATOM 0 HH12 ARG A 29 33.033 27.571 3.999 1.00 0.00 H new ATOM 0 HH21 ARG A 29 33.303 28.960 7.225 1.00 0.00 H new ATOM 0 HH22 ARG A 29 34.117 28.661 5.686 1.00 0.00 H new ATOM 467 N ALA A 30 24.179 28.617 4.095 1.00 0.00 N ATOM 468 CA ALA A 30 22.874 28.150 3.648 1.00 0.00 C ATOM 469 C ALA A 30 22.303 27.047 4.536 1.00 0.00 C ATOM 470 O ALA A 30 21.465 26.264 4.089 1.00 0.00 O ATOM 471 CB ALA A 30 22.922 27.763 2.167 1.00 0.00 C ATOM 0 H ALA A 30 24.204 29.620 4.280 1.00 0.00 H new ATOM 0 HA ALA A 30 22.173 28.979 3.747 1.00 0.00 H new ATOM 0 HB1 ALA A 30 21.939 27.416 1.849 1.00 0.00 H new ATOM 0 HB2 ALA A 30 23.210 28.631 1.573 1.00 0.00 H new ATOM 0 HB3 ALA A 30 23.652 26.966 2.023 1.00 0.00 H new ATOM 477 N ALA A 31 22.739 26.965 5.799 1.00 0.00 N ATOM 478 CA ALA A 31 22.239 25.960 6.726 1.00 0.00 C ATOM 479 C ALA A 31 20.739 26.129 6.961 1.00 0.00 C ATOM 480 O ALA A 31 20.065 25.173 7.342 1.00 0.00 O ATOM 481 CB ALA A 31 22.998 26.077 8.045 1.00 0.00 C ATOM 0 H ALA A 31 23.441 27.589 6.197 1.00 0.00 H new ATOM 0 HA ALA A 31 22.398 24.971 6.296 1.00 0.00 H new ATOM 0 HB1 ALA A 31 22.629 25.327 8.745 1.00 0.00 H new ATOM 0 HB2 ALA A 31 24.062 25.916 7.868 1.00 0.00 H new ATOM 0 HB3 ALA A 31 22.846 27.071 8.465 1.00 0.00 H new ATOM 487 N VAL A 32 20.214 27.334 6.736 1.00 0.00 N ATOM 488 CA VAL A 32 18.789 27.596 6.879 1.00 0.00 C ATOM 489 C VAL A 32 18.024 26.970 5.716 1.00 0.00 C ATOM 490 O VAL A 32 16.925 26.452 5.905 1.00 0.00 O ATOM 491 CB VAL A 32 18.550 29.103 6.933 1.00 0.00 C ATOM 492 CG1 VAL A 32 17.055 29.401 7.031 1.00 0.00 C ATOM 493 CG2 VAL A 32 19.272 29.710 8.137 1.00 0.00 C ATOM 0 H VAL A 32 20.762 28.146 6.452 1.00 0.00 H new ATOM 0 HA VAL A 32 18.428 27.150 7.806 1.00 0.00 H new ATOM 0 HB VAL A 32 18.943 29.546 6.018 1.00 0.00 H new ATOM 0 HG11 VAL A 32 16.901 30.479 7.069 1.00 0.00 H new ATOM 0 HG12 VAL A 32 16.544 28.992 6.159 1.00 0.00 H new ATOM 0 HG13 VAL A 32 16.652 28.945 7.935 1.00 0.00 H new ATOM 0 HG21 VAL A 32 19.094 30.785 8.164 1.00 0.00 H new ATOM 0 HG22 VAL A 32 18.895 29.256 9.054 1.00 0.00 H new ATOM 0 HG23 VAL A 32 20.342 29.522 8.052 1.00 0.00 H new ATOM 503 N LYS A 33 18.595 27.009 4.507 1.00 0.00 N ATOM 504 CA LYS A 33 17.967 26.389 3.348 1.00 0.00 C ATOM 505 C LYS A 33 17.979 24.878 3.528 1.00 0.00 C ATOM 506 O LYS A 33 17.005 24.201 3.213 1.00 0.00 O ATOM 507 CB LYS A 33 18.729 26.790 2.080 1.00 0.00 C ATOM 508 CG LYS A 33 17.971 26.343 0.832 1.00 0.00 C ATOM 509 CD LYS A 33 18.686 26.827 -0.436 1.00 0.00 C ATOM 510 CE LYS A 33 20.004 26.090 -0.666 1.00 0.00 C ATOM 511 NZ LYS A 33 19.774 24.678 -1.029 1.00 0.00 N ATOM 0 H LYS A 33 19.487 27.463 4.312 1.00 0.00 H new ATOM 0 HA LYS A 33 16.935 26.726 3.252 1.00 0.00 H new ATOM 0 HB2 LYS A 33 18.868 27.871 2.060 1.00 0.00 H new ATOM 0 HB3 LYS A 33 19.722 26.341 2.089 1.00 0.00 H new ATOM 0 HG2 LYS A 33 17.891 25.256 0.818 1.00 0.00 H new ATOM 0 HG3 LYS A 33 16.955 26.737 0.856 1.00 0.00 H new ATOM 0 HD2 LYS A 33 18.034 26.682 -1.298 1.00 0.00 H new ATOM 0 HD3 LYS A 33 18.878 27.897 -0.358 1.00 0.00 H new ATOM 0 HE2 LYS A 33 20.566 26.584 -1.459 1.00 0.00 H new ATOM 0 HE3 LYS A 33 20.614 26.141 0.236 1.00 0.00 H new ATOM 0 HZ1 LYS A 33 20.685 24.218 -1.228 1.00 0.00 H new ATOM 0 HZ2 LYS A 33 19.304 24.189 -0.241 1.00 0.00 H new ATOM 0 HZ3 LYS A 33 19.170 24.631 -1.875 1.00 0.00 H new ATOM 525 N LYS A 34 19.097 24.359 4.044 1.00 0.00 N ATOM 526 CA LYS A 34 19.283 22.935 4.290 1.00 0.00 C ATOM 527 C LYS A 34 18.403 22.445 5.441 1.00 0.00 C ATOM 528 O LYS A 34 18.205 21.240 5.587 1.00 0.00 O ATOM 529 CB LYS A 34 20.762 22.675 4.589 1.00 0.00 C ATOM 530 CG LYS A 34 21.625 23.047 3.376 1.00 0.00 C ATOM 531 CD LYS A 34 23.099 23.122 3.774 1.00 0.00 C ATOM 532 CE LYS A 34 23.923 23.563 2.564 1.00 0.00 C ATOM 533 NZ LYS A 34 25.324 23.824 2.940 1.00 0.00 N ATOM 0 H LYS A 34 19.904 24.926 4.304 1.00 0.00 H new ATOM 0 HA LYS A 34 18.983 22.379 3.402 1.00 0.00 H new ATOM 0 HB2 LYS A 34 21.072 23.257 5.457 1.00 0.00 H new ATOM 0 HB3 LYS A 34 20.910 21.625 4.840 1.00 0.00 H new ATOM 0 HG2 LYS A 34 21.492 22.307 2.586 1.00 0.00 H new ATOM 0 HG3 LYS A 34 21.302 24.006 2.972 1.00 0.00 H new ATOM 0 HD2 LYS A 34 23.231 23.826 4.596 1.00 0.00 H new ATOM 0 HD3 LYS A 34 23.442 22.150 4.129 1.00 0.00 H new ATOM 0 HE2 LYS A 34 23.888 22.791 1.796 1.00 0.00 H new ATOM 0 HE3 LYS A 34 23.486 24.463 2.132 1.00 0.00 H new ATOM 0 HZ1 LYS A 34 25.931 23.737 2.100 1.00 0.00 H new ATOM 0 HZ2 LYS A 34 25.406 24.785 3.328 1.00 0.00 H new ATOM 0 HZ3 LYS A 34 25.625 23.134 3.657 1.00 0.00 H new ATOM 547 N HIS A 35 17.870 23.359 6.259 1.00 0.00 N ATOM 548 CA HIS A 35 16.956 23.006 7.339 1.00 0.00 C ATOM 549 C HIS A 35 15.537 22.811 6.807 1.00 0.00 C ATOM 550 O HIS A 35 14.796 21.982 7.329 1.00 0.00 O ATOM 551 CB HIS A 35 16.973 24.104 8.403 1.00 0.00 C ATOM 552 CG HIS A 35 16.101 23.784 9.585 1.00 0.00 C ATOM 553 ND1 HIS A 35 16.302 22.763 10.497 1.00 0.00 N ATOM 554 CD2 HIS A 35 14.978 24.463 9.964 1.00 0.00 C ATOM 555 CE1 HIS A 35 15.305 22.813 11.404 1.00 0.00 C ATOM 556 NE2 HIS A 35 14.492 23.845 11.102 1.00 0.00 N ATOM 0 H HIS A 35 18.062 24.358 6.188 1.00 0.00 H new ATOM 0 HA HIS A 35 17.284 22.066 7.783 1.00 0.00 H new ATOM 0 HB2 HIS A 35 17.997 24.257 8.744 1.00 0.00 H new ATOM 0 HB3 HIS A 35 16.642 25.042 7.956 1.00 0.00 H new ATOM 0 HD2 HIS A 35 14.550 25.322 9.468 1.00 0.00 H new ATOM 0 HE1 HIS A 35 15.179 22.137 12.236 1.00 0.00 H new ATOM 0 HE2 HIS A 35 13.661 24.123 11.624 1.00 0.00 H new ATOM 565 N ILE A 36 15.156 23.568 5.777 1.00 0.00 N ATOM 566 CA ILE A 36 13.835 23.438 5.169 1.00 0.00 C ATOM 567 C ILE A 36 13.790 22.199 4.278 1.00 0.00 C ATOM 568 O ILE A 36 12.743 21.576 4.125 1.00 0.00 O ATOM 569 CB ILE A 36 13.501 24.719 4.391 1.00 0.00 C ATOM 570 CG1 ILE A 36 13.325 25.876 5.379 1.00 0.00 C ATOM 571 CG2 ILE A 36 12.230 24.546 3.551 1.00 0.00 C ATOM 572 CD1 ILE A 36 13.229 27.228 4.669 1.00 0.00 C ATOM 0 H ILE A 36 15.747 24.279 5.347 1.00 0.00 H new ATOM 0 HA ILE A 36 13.079 23.310 5.944 1.00 0.00 H new ATOM 0 HB ILE A 36 14.322 24.936 3.708 1.00 0.00 H new ATOM 0 HG12 ILE A 36 12.424 25.713 5.971 1.00 0.00 H new ATOM 0 HG13 ILE A 36 14.165 25.890 6.074 1.00 0.00 H new ATOM 0 HG21 ILE A 36 12.021 25.470 3.013 1.00 0.00 H new ATOM 0 HG22 ILE A 36 12.373 23.735 2.837 1.00 0.00 H new ATOM 0 HG23 ILE A 36 11.391 24.310 4.205 1.00 0.00 H new ATOM 0 HD11 ILE A 36 13.105 28.019 5.408 1.00 0.00 H new ATOM 0 HD12 ILE A 36 14.141 27.405 4.098 1.00 0.00 H new ATOM 0 HD13 ILE A 36 12.373 27.225 3.994 1.00 0.00 H new ATOM 584 N GLU A 37 14.930 21.834 3.685 1.00 0.00 N ATOM 585 CA GLU A 37 15.021 20.669 2.818 1.00 0.00 C ATOM 586 C GLU A 37 14.870 19.362 3.595 1.00 0.00 C ATOM 587 O GLU A 37 14.359 18.387 3.048 1.00 0.00 O ATOM 588 CB GLU A 37 16.362 20.693 2.087 1.00 0.00 C ATOM 589 CG GLU A 37 16.388 21.830 1.063 1.00 0.00 C ATOM 590 CD GLU A 37 17.754 21.960 0.388 1.00 0.00 C ATOM 591 OE1 GLU A 37 17.848 22.784 -0.548 1.00 0.00 O ATOM 592 OE2 GLU A 37 18.692 21.243 0.802 1.00 0.00 O ATOM 0 H GLU A 37 15.809 22.339 3.795 1.00 0.00 H new ATOM 0 HA GLU A 37 14.201 20.714 2.102 1.00 0.00 H new ATOM 0 HB2 GLU A 37 17.173 20.822 2.804 1.00 0.00 H new ATOM 0 HB3 GLU A 37 16.528 19.739 1.586 1.00 0.00 H new ATOM 0 HG2 GLU A 37 15.624 21.654 0.306 1.00 0.00 H new ATOM 0 HG3 GLU A 37 16.136 22.769 1.557 1.00 0.00 H new ATOM 599 N ARG A 38 15.302 19.326 4.859 1.00 0.00 N ATOM 600 CA ARG A 38 15.162 18.134 5.688 1.00 0.00 C ATOM 601 C ARG A 38 13.853 18.167 6.474 1.00 0.00 C ATOM 602 O ARG A 38 13.448 17.149 7.032 1.00 0.00 O ATOM 603 CB ARG A 38 16.371 18.009 6.621 1.00 0.00 C ATOM 604 CG ARG A 38 16.439 19.160 7.627 1.00 0.00 C ATOM 605 CD ARG A 38 17.713 19.073 8.463 1.00 0.00 C ATOM 606 NE ARG A 38 18.905 19.232 7.623 1.00 0.00 N ATOM 607 CZ ARG A 38 20.041 18.550 7.782 1.00 0.00 C ATOM 608 NH1 ARG A 38 20.176 17.660 8.761 1.00 0.00 N ATOM 609 NH2 ARG A 38 21.059 18.761 6.954 1.00 0.00 N ATOM 0 H ARG A 38 15.752 20.112 5.328 1.00 0.00 H new ATOM 0 HA ARG A 38 15.130 17.255 5.044 1.00 0.00 H new ATOM 0 HB2 ARG A 38 16.319 17.061 7.157 1.00 0.00 H new ATOM 0 HB3 ARG A 38 17.286 17.990 6.029 1.00 0.00 H new ATOM 0 HG2 ARG A 38 16.409 20.113 7.099 1.00 0.00 H new ATOM 0 HG3 ARG A 38 15.567 19.130 8.280 1.00 0.00 H new ATOM 0 HD2 ARG A 38 17.701 19.845 9.233 1.00 0.00 H new ATOM 0 HD3 ARG A 38 17.751 18.112 8.976 1.00 0.00 H new ATOM 0 HE ARG A 38 18.863 19.912 6.864 1.00 0.00 H new ATOM 0 HH11 ARG A 38 19.404 17.490 9.405 1.00 0.00 H new ATOM 0 HH12 ARG A 38 21.052 17.148 8.867 1.00 0.00 H new ATOM 0 HH21 ARG A 38 20.970 19.442 6.200 1.00 0.00 H new ATOM 0 HH22 ARG A 38 21.929 18.242 7.072 1.00 0.00 H new ATOM 623 N GLN A 39 13.191 19.328 6.519 1.00 0.00 N ATOM 624 CA GLN A 39 11.909 19.479 7.187 1.00 0.00 C ATOM 625 C GLN A 39 10.774 18.920 6.325 1.00 0.00 C ATOM 626 O GLN A 39 9.753 18.482 6.852 1.00 0.00 O ATOM 627 CB GLN A 39 11.689 20.965 7.475 1.00 0.00 C ATOM 628 CG GLN A 39 10.279 21.276 7.991 1.00 0.00 C ATOM 629 CD GLN A 39 9.939 20.523 9.272 1.00 0.00 C ATOM 630 OE1 GLN A 39 10.813 20.180 10.065 1.00 0.00 O ATOM 631 NE2 GLN A 39 8.654 20.260 9.488 1.00 0.00 N ATOM 0 H GLN A 39 13.536 20.187 6.090 1.00 0.00 H new ATOM 0 HA GLN A 39 11.913 18.917 8.121 1.00 0.00 H new ATOM 0 HB2 GLN A 39 12.420 21.298 8.211 1.00 0.00 H new ATOM 0 HB3 GLN A 39 11.870 21.536 6.564 1.00 0.00 H new ATOM 0 HG2 GLN A 39 10.191 22.347 8.171 1.00 0.00 H new ATOM 0 HG3 GLN A 39 9.551 21.021 7.221 1.00 0.00 H new ATOM 0 HE21 GLN A 39 7.952 20.558 8.811 1.00 0.00 H new ATOM 0 HE22 GLN A 39 8.370 19.760 10.331 1.00 0.00 H new ATOM 640 N PHE A 40 10.952 18.939 5.001 1.00 0.00 N ATOM 641 CA PHE A 40 9.936 18.492 4.061 1.00 0.00 C ATOM 642 C PHE A 40 10.447 17.513 3.005 1.00 0.00 C ATOM 643 O PHE A 40 9.713 17.156 2.085 1.00 0.00 O ATOM 644 CB PHE A 40 9.231 19.698 3.435 1.00 0.00 C ATOM 645 CG PHE A 40 8.449 20.540 4.419 1.00 0.00 C ATOM 646 CD1 PHE A 40 8.753 21.902 4.555 1.00 0.00 C ATOM 647 CD2 PHE A 40 7.428 19.971 5.194 1.00 0.00 C ATOM 648 CE1 PHE A 40 8.037 22.695 5.462 1.00 0.00 C ATOM 649 CE2 PHE A 40 6.720 20.762 6.109 1.00 0.00 C ATOM 650 CZ PHE A 40 7.023 22.123 6.242 1.00 0.00 C ATOM 0 H PHE A 40 11.809 19.267 4.556 1.00 0.00 H new ATOM 0 HA PHE A 40 9.211 17.916 4.636 1.00 0.00 H new ATOM 0 HB2 PHE A 40 9.976 20.327 2.947 1.00 0.00 H new ATOM 0 HB3 PHE A 40 8.554 19.345 2.657 1.00 0.00 H new ATOM 0 HD1 PHE A 40 9.540 22.341 3.960 1.00 0.00 H new ATOM 0 HD2 PHE A 40 7.187 18.924 5.086 1.00 0.00 H new ATOM 0 HE1 PHE A 40 8.266 23.746 5.560 1.00 0.00 H new ATOM 0 HE2 PHE A 40 5.940 20.322 6.712 1.00 0.00 H new ATOM 0 HZ PHE A 40 6.475 22.732 6.946 1.00 0.00 H new ATOM 660 N ASN A 41 11.708 17.085 3.137 1.00 0.00 N ATOM 661 CA ASN A 41 12.384 16.215 2.180 1.00 0.00 C ATOM 662 C ASN A 41 12.438 16.822 0.771 1.00 0.00 C ATOM 663 O ASN A 41 12.678 16.114 -0.204 1.00 0.00 O ATOM 664 CB ASN A 41 11.784 14.807 2.207 1.00 0.00 C ATOM 665 CG ASN A 41 11.904 14.149 3.575 1.00 0.00 C ATOM 666 OD1 ASN A 41 12.717 14.548 4.403 1.00 0.00 O ATOM 667 ND2 ASN A 41 11.091 13.127 3.825 1.00 0.00 N ATOM 0 H ASN A 41 12.295 17.342 3.930 1.00 0.00 H new ATOM 0 HA ASN A 41 13.425 16.124 2.490 1.00 0.00 H new ATOM 0 HB2 ASN A 41 10.733 14.858 1.923 1.00 0.00 H new ATOM 0 HB3 ASN A 41 12.286 14.187 1.464 1.00 0.00 H new ATOM 0 HD21 ASN A 41 11.132 12.651 4.726 1.00 0.00 H new ATOM 0 HD22 ASN A 41 10.426 12.819 3.116 1.00 0.00 H new ATOM 674 N CYS A 42 12.213 18.135 0.663 1.00 0.00 N ATOM 675 CA CYS A 42 12.261 18.861 -0.594 1.00 0.00 C ATOM 676 C CYS A 42 13.686 19.338 -0.878 1.00 0.00 C ATOM 677 O CYS A 42 14.603 19.097 -0.094 1.00 0.00 O ATOM 678 CB CYS A 42 11.310 20.057 -0.511 1.00 0.00 C ATOM 679 SG CYS A 42 9.627 19.453 -0.217 1.00 0.00 S ATOM 0 H CYS A 42 11.989 18.726 1.464 1.00 0.00 H new ATOM 0 HA CYS A 42 11.954 18.203 -1.407 1.00 0.00 H new ATOM 0 HB2 CYS A 42 11.616 20.726 0.293 1.00 0.00 H new ATOM 0 HB3 CYS A 42 11.347 20.633 -1.436 1.00 0.00 H new ATOM 0 HG CYS A 42 9.650 18.532 0.700 1.00 0.00 H new ATOM 685 N VAL A 43 13.867 20.025 -2.008 1.00 0.00 N ATOM 686 CA VAL A 43 15.126 20.653 -2.378 1.00 0.00 C ATOM 687 C VAL A 43 14.819 22.084 -2.803 1.00 0.00 C ATOM 688 O VAL A 43 13.769 22.336 -3.390 1.00 0.00 O ATOM 689 CB VAL A 43 15.812 19.853 -3.495 1.00 0.00 C ATOM 690 CG1 VAL A 43 17.066 20.568 -3.995 1.00 0.00 C ATOM 691 CG2 VAL A 43 16.203 18.461 -2.996 1.00 0.00 C ATOM 0 H VAL A 43 13.128 20.160 -2.699 1.00 0.00 H new ATOM 0 HA VAL A 43 15.819 20.668 -1.537 1.00 0.00 H new ATOM 0 HB VAL A 43 15.100 19.764 -4.316 1.00 0.00 H new ATOM 0 HG11 VAL A 43 17.530 19.978 -4.785 1.00 0.00 H new ATOM 0 HG12 VAL A 43 16.794 21.549 -4.386 1.00 0.00 H new ATOM 0 HG13 VAL A 43 17.769 20.688 -3.171 1.00 0.00 H new ATOM 0 HG21 VAL A 43 16.688 17.909 -3.801 1.00 0.00 H new ATOM 0 HG22 VAL A 43 16.891 18.556 -2.156 1.00 0.00 H new ATOM 0 HG23 VAL A 43 15.310 17.925 -2.675 1.00 0.00 H new ATOM 701 N ILE A 44 15.722 23.024 -2.517 1.00 0.00 N ATOM 702 CA ILE A 44 15.515 24.431 -2.837 1.00 0.00 C ATOM 703 C ILE A 44 16.756 25.004 -3.514 1.00 0.00 C ATOM 704 O ILE A 44 17.880 24.642 -3.170 1.00 0.00 O ATOM 705 CB ILE A 44 15.150 25.211 -1.564 1.00 0.00 C ATOM 706 CG1 ILE A 44 13.870 24.631 -0.954 1.00 0.00 C ATOM 707 CG2 ILE A 44 14.971 26.702 -1.868 1.00 0.00 C ATOM 708 CD1 ILE A 44 13.487 25.327 0.352 1.00 0.00 C ATOM 0 H ILE A 44 16.612 22.829 -2.059 1.00 0.00 H new ATOM 0 HA ILE A 44 14.684 24.526 -3.536 1.00 0.00 H new ATOM 0 HB ILE A 44 15.965 25.112 -0.847 1.00 0.00 H new ATOM 0 HG12 ILE A 44 13.053 24.728 -1.669 1.00 0.00 H new ATOM 0 HG13 ILE A 44 14.008 23.566 -0.769 1.00 0.00 H new ATOM 0 HG21 ILE A 44 14.713 27.232 -0.951 1.00 0.00 H new ATOM 0 HG22 ILE A 44 15.900 27.105 -2.271 1.00 0.00 H new ATOM 0 HG23 ILE A 44 14.172 26.831 -2.598 1.00 0.00 H new ATOM 0 HD11 ILE A 44 12.574 24.882 0.747 1.00 0.00 H new ATOM 0 HD12 ILE A 44 14.292 25.208 1.077 1.00 0.00 H new ATOM 0 HD13 ILE A 44 13.322 26.388 0.164 1.00 0.00 H new ATOM 720 N THR A 45 16.548 25.907 -4.473 1.00 0.00 N ATOM 721 CA THR A 45 17.630 26.552 -5.206 1.00 0.00 C ATOM 722 C THR A 45 17.458 28.049 -5.421 1.00 0.00 C ATOM 723 O THR A 45 16.569 28.474 -6.154 1.00 0.00 O ATOM 724 CB THR A 45 17.944 25.820 -6.517 1.00 0.00 C ATOM 725 OG1 THR A 45 17.747 24.430 -6.380 1.00 0.00 O ATOM 726 CG2 THR A 45 19.376 26.105 -6.965 1.00 0.00 C ATOM 0 H THR A 45 15.618 26.211 -4.762 1.00 0.00 H new ATOM 0 HA THR A 45 18.496 26.467 -4.550 1.00 0.00 H new ATOM 0 HB THR A 45 17.258 26.192 -7.278 1.00 0.00 H new ATOM 0 HG1 THR A 45 17.952 23.985 -7.229 1.00 0.00 H new ATOM 0 HG21 THR A 45 19.578 25.576 -7.897 1.00 0.00 H new ATOM 0 HG22 THR A 45 19.502 27.176 -7.121 1.00 0.00 H new ATOM 0 HG23 THR A 45 20.072 25.766 -6.197 1.00 0.00 H new ATOM 734 N VAL A 46 18.315 28.850 -4.778 1.00 0.00 N ATOM 735 CA VAL A 46 18.331 30.291 -4.981 1.00 0.00 C ATOM 736 C VAL A 46 19.140 30.615 -6.234 1.00 0.00 C ATOM 737 O VAL A 46 20.100 29.916 -6.546 1.00 0.00 O ATOM 738 CB VAL A 46 18.872 31.009 -3.741 1.00 0.00 C ATOM 739 CG1 VAL A 46 18.781 32.524 -3.915 1.00 0.00 C ATOM 740 CG2 VAL A 46 18.065 30.621 -2.503 1.00 0.00 C ATOM 0 H VAL A 46 19.009 28.515 -4.109 1.00 0.00 H new ATOM 0 HA VAL A 46 17.313 30.652 -5.130 1.00 0.00 H new ATOM 0 HB VAL A 46 19.913 30.711 -3.616 1.00 0.00 H new ATOM 0 HG11 VAL A 46 19.170 33.017 -3.024 1.00 0.00 H new ATOM 0 HG12 VAL A 46 19.368 32.827 -4.782 1.00 0.00 H new ATOM 0 HG13 VAL A 46 17.740 32.811 -4.063 1.00 0.00 H new ATOM 0 HG21 VAL A 46 18.463 31.140 -1.631 1.00 0.00 H new ATOM 0 HG22 VAL A 46 17.021 30.901 -2.647 1.00 0.00 H new ATOM 0 HG23 VAL A 46 18.134 29.544 -2.347 1.00 0.00 H new ATOM 750 N HIS A 47 18.758 31.676 -6.950 1.00 0.00 N ATOM 751 CA HIS A 47 19.403 32.073 -8.190 1.00 0.00 C ATOM 752 C HIS A 47 19.800 33.545 -8.145 1.00 0.00 C ATOM 753 O HIS A 47 19.281 34.355 -8.907 1.00 0.00 O ATOM 754 CB HIS A 47 18.471 31.741 -9.360 1.00 0.00 C ATOM 755 CG HIS A 47 18.404 30.268 -9.668 1.00 0.00 C ATOM 756 ND1 HIS A 47 19.383 29.521 -10.296 1.00 0.00 N ATOM 757 CD2 HIS A 47 17.347 29.438 -9.408 1.00 0.00 C ATOM 758 CE1 HIS A 47 18.924 28.260 -10.415 1.00 0.00 C ATOM 759 NE2 HIS A 47 17.687 28.189 -9.889 1.00 0.00 N ATOM 0 H HIS A 47 17.986 32.284 -6.677 1.00 0.00 H new ATOM 0 HA HIS A 47 20.330 31.517 -8.330 1.00 0.00 H new ATOM 0 HB2 HIS A 47 17.469 32.103 -9.131 1.00 0.00 H new ATOM 0 HB3 HIS A 47 18.809 32.276 -10.248 1.00 0.00 H new ATOM 0 HD1 HIS A 47 20.290 29.863 -10.613 1.00 0.00 H new ATOM 0 HD2 HIS A 47 16.423 29.709 -8.919 1.00 0.00 H new ATOM 0 HE1 HIS A 47 19.463 27.437 -10.861 1.00 0.00 H new ATOM 0 HE2 HIS A 47 17.101 27.355 -9.852 1.00 0.00 H new ATOM 768 N THR A 48 20.730 33.890 -7.250 1.00 0.00 N ATOM 769 CA THR A 48 21.269 35.246 -7.153 1.00 0.00 C ATOM 770 C THR A 48 21.983 35.722 -8.417 1.00 0.00 C ATOM 771 O THR A 48 22.315 36.899 -8.552 1.00 0.00 O ATOM 772 CB THR A 48 22.125 35.449 -5.896 1.00 0.00 C ATOM 773 OG1 THR A 48 23.459 35.090 -6.176 1.00 0.00 O ATOM 774 CG2 THR A 48 21.636 34.618 -4.714 1.00 0.00 C ATOM 0 H THR A 48 21.128 33.238 -6.575 1.00 0.00 H new ATOM 0 HA THR A 48 20.395 35.889 -7.054 1.00 0.00 H new ATOM 0 HB THR A 48 22.048 36.501 -5.622 1.00 0.00 H new ATOM 0 HG1 THR A 48 24.008 35.221 -5.375 1.00 0.00 H new ATOM 0 HG21 THR A 48 22.277 34.800 -3.851 1.00 0.00 H new ATOM 0 HG22 THR A 48 20.612 34.899 -4.470 1.00 0.00 H new ATOM 0 HG23 THR A 48 21.669 33.560 -4.974 1.00 0.00 H new ATOM 782 N GLU A 49 22.215 34.795 -9.351 1.00 0.00 N ATOM 783 CA GLU A 49 22.738 35.080 -10.679 1.00 0.00 C ATOM 784 C GLU A 49 21.666 35.763 -11.536 1.00 0.00 C ATOM 785 O GLU A 49 21.904 36.070 -12.703 1.00 0.00 O ATOM 786 CB GLU A 49 23.214 33.766 -11.312 1.00 0.00 C ATOM 787 CG GLU A 49 22.059 32.773 -11.476 1.00 0.00 C ATOM 788 CD GLU A 49 22.543 31.341 -11.722 1.00 0.00 C ATOM 789 OE1 GLU A 49 23.749 31.162 -12.015 1.00 0.00 O ATOM 790 OE2 GLU A 49 21.693 30.431 -11.607 1.00 0.00 O ATOM 0 H GLU A 49 22.038 33.803 -9.195 1.00 0.00 H new ATOM 0 HA GLU A 49 23.583 35.765 -10.612 1.00 0.00 H new ATOM 0 HB2 GLU A 49 23.661 33.970 -12.285 1.00 0.00 H new ATOM 0 HB3 GLU A 49 23.992 33.322 -10.691 1.00 0.00 H new ATOM 0 HG2 GLU A 49 21.437 32.794 -10.581 1.00 0.00 H new ATOM 0 HG3 GLU A 49 21.430 33.088 -12.308 1.00 0.00 H new ATOM 797 N VAL A 50 20.482 35.998 -10.953 1.00 0.00 N ATOM 798 CA VAL A 50 19.359 36.658 -11.596 1.00 0.00 C ATOM 799 C VAL A 50 18.747 37.737 -10.710 1.00 0.00 C ATOM 800 O VAL A 50 18.678 37.579 -9.492 1.00 0.00 O ATOM 801 CB VAL A 50 18.281 35.656 -12.030 1.00 0.00 C ATOM 802 CG1 VAL A 50 17.357 36.278 -13.077 1.00 0.00 C ATOM 803 CG2 VAL A 50 18.876 34.361 -12.580 1.00 0.00 C ATOM 0 H VAL A 50 20.283 35.722 -9.991 1.00 0.00 H new ATOM 0 HA VAL A 50 19.758 37.139 -12.489 1.00 0.00 H new ATOM 0 HB VAL A 50 17.709 35.407 -11.136 1.00 0.00 H new ATOM 0 HG11 VAL A 50 16.600 35.551 -13.372 1.00 0.00 H new ATOM 0 HG12 VAL A 50 16.871 37.158 -12.656 1.00 0.00 H new ATOM 0 HG13 VAL A 50 17.940 36.568 -13.951 1.00 0.00 H new ATOM 0 HG21 VAL A 50 18.071 33.686 -12.873 1.00 0.00 H new ATOM 0 HG22 VAL A 50 19.495 34.585 -13.448 1.00 0.00 H new ATOM 0 HG23 VAL A 50 19.486 33.886 -11.812 1.00 0.00 H new ATOM 813 N GLN A 51 18.300 38.836 -11.321 1.00 0.00 N ATOM 814 CA GLN A 51 17.603 39.894 -10.605 1.00 0.00 C ATOM 815 C GLN A 51 16.758 40.710 -11.580 1.00 0.00 C ATOM 816 O GLN A 51 17.287 41.296 -12.524 1.00 0.00 O ATOM 817 CB GLN A 51 18.614 40.773 -9.865 1.00 0.00 C ATOM 818 CG GLN A 51 17.909 41.935 -9.156 1.00 0.00 C ATOM 819 CD GLN A 51 18.820 42.640 -8.150 1.00 0.00 C ATOM 820 OE1 GLN A 51 18.350 43.186 -7.156 1.00 0.00 O ATOM 821 NE2 GLN A 51 20.131 42.643 -8.396 1.00 0.00 N ATOM 0 H GLN A 51 18.412 39.012 -12.319 1.00 0.00 H new ATOM 0 HA GLN A 51 16.933 39.457 -9.865 1.00 0.00 H new ATOM 0 HB2 GLN A 51 19.159 40.173 -9.136 1.00 0.00 H new ATOM 0 HB3 GLN A 51 19.348 41.163 -10.570 1.00 0.00 H new ATOM 0 HG2 GLN A 51 17.565 42.655 -9.898 1.00 0.00 H new ATOM 0 HG3 GLN A 51 17.024 41.560 -8.641 1.00 0.00 H new ATOM 0 HE21 GLN A 51 20.494 42.181 -9.230 1.00 0.00 H new ATOM 0 HE22 GLN A 51 20.770 43.107 -7.750 1.00 0.00 H new ATOM 830 N SER A 52 15.446 40.748 -11.343 1.00 0.00 N ATOM 831 CA SER A 52 14.520 41.526 -12.150 1.00 0.00 C ATOM 832 C SER A 52 14.529 42.985 -11.706 1.00 0.00 C ATOM 833 O SER A 52 15.113 43.321 -10.674 1.00 0.00 O ATOM 834 CB SER A 52 13.111 40.936 -12.029 1.00 0.00 C ATOM 835 OG SER A 52 12.237 41.602 -12.912 1.00 0.00 O ATOM 0 H SER A 52 14.999 40.236 -10.582 1.00 0.00 H new ATOM 0 HA SER A 52 14.832 41.485 -13.194 1.00 0.00 H new ATOM 0 HB2 SER A 52 13.132 39.871 -12.258 1.00 0.00 H new ATOM 0 HB3 SER A 52 12.752 41.035 -11.004 1.00 0.00 H new ATOM 0 HG SER A 52 11.404 41.820 -12.445 1.00 0.00 H new ATOM 841 N SER A 53 13.878 43.857 -12.479 1.00 0.00 N ATOM 842 CA SER A 53 13.761 45.271 -12.142 1.00 0.00 C ATOM 843 C SER A 53 12.991 45.460 -10.831 1.00 0.00 C ATOM 844 O SER A 53 13.001 46.545 -10.250 1.00 0.00 O ATOM 845 CB SER A 53 13.064 45.988 -13.298 1.00 0.00 C ATOM 846 OG SER A 53 12.943 47.371 -13.028 1.00 0.00 O ATOM 0 H SER A 53 13.419 43.600 -13.353 1.00 0.00 H new ATOM 0 HA SER A 53 14.753 45.697 -11.993 1.00 0.00 H new ATOM 0 HB2 SER A 53 13.629 45.840 -14.218 1.00 0.00 H new ATOM 0 HB3 SER A 53 12.076 45.556 -13.458 1.00 0.00 H new ATOM 0 HG SER A 53 12.812 47.506 -12.066 1.00 0.00 H new ATOM 852 N PHE A 54 12.325 44.399 -10.360 1.00 0.00 N ATOM 853 CA PHE A 54 11.605 44.409 -9.094 1.00 0.00 C ATOM 854 C PHE A 54 12.525 44.511 -7.882 1.00 0.00 C ATOM 855 O PHE A 54 12.055 44.750 -6.768 1.00 0.00 O ATOM 856 CB PHE A 54 10.737 43.157 -8.989 1.00 0.00 C ATOM 857 CG PHE A 54 9.650 43.073 -10.031 1.00 0.00 C ATOM 858 CD1 PHE A 54 9.684 42.055 -10.989 1.00 0.00 C ATOM 859 CD2 PHE A 54 8.609 44.007 -10.039 1.00 0.00 C ATOM 860 CE1 PHE A 54 8.672 41.967 -11.956 1.00 0.00 C ATOM 861 CE2 PHE A 54 7.594 43.924 -11.002 1.00 0.00 C ATOM 862 CZ PHE A 54 7.627 42.902 -11.963 1.00 0.00 C ATOM 0 H PHE A 54 12.274 43.508 -10.854 1.00 0.00 H new ATOM 0 HA PHE A 54 10.982 45.303 -9.087 1.00 0.00 H new ATOM 0 HB2 PHE A 54 11.375 42.277 -9.073 1.00 0.00 H new ATOM 0 HB3 PHE A 54 10.280 43.126 -8.000 1.00 0.00 H new ATOM 0 HD1 PHE A 54 10.490 41.336 -10.984 1.00 0.00 H new ATOM 0 HD2 PHE A 54 8.587 44.795 -9.301 1.00 0.00 H new ATOM 0 HE1 PHE A 54 8.698 41.180 -12.695 1.00 0.00 H new ATOM 0 HE2 PHE A 54 6.789 44.644 -11.004 1.00 0.00 H new ATOM 0 HZ PHE A 54 6.848 42.836 -12.708 1.00 0.00 H new ATOM 872 N GLY A 55 13.835 44.325 -8.088 1.00 0.00 N ATOM 873 CA GLY A 55 14.802 44.368 -7.004 1.00 0.00 C ATOM 874 C GLY A 55 14.737 43.089 -6.171 1.00 0.00 C ATOM 875 O GLY A 55 14.933 43.130 -4.959 1.00 0.00 O ATOM 0 H GLY A 55 14.243 44.143 -9.005 1.00 0.00 H new ATOM 0 HA2 GLY A 55 15.806 44.493 -7.410 1.00 0.00 H new ATOM 0 HA3 GLY A 55 14.606 45.232 -6.369 1.00 0.00 H new ATOM 879 N ALA A 56 14.456 41.956 -6.827 1.00 0.00 N ATOM 880 CA ALA A 56 14.274 40.679 -6.164 1.00 0.00 C ATOM 881 C ALA A 56 15.031 39.555 -6.876 1.00 0.00 C ATOM 882 O ALA A 56 15.304 39.633 -8.073 1.00 0.00 O ATOM 883 CB ALA A 56 12.780 40.375 -6.094 1.00 0.00 C ATOM 0 H ALA A 56 14.350 41.910 -7.840 1.00 0.00 H new ATOM 0 HA ALA A 56 14.686 40.740 -5.157 1.00 0.00 H new ATOM 0 HB1 ALA A 56 12.627 39.417 -5.598 1.00 0.00 H new ATOM 0 HB2 ALA A 56 12.275 41.160 -5.531 1.00 0.00 H new ATOM 0 HB3 ALA A 56 12.370 40.331 -7.103 1.00 0.00 H new ATOM 889 N THR A 57 15.364 38.509 -6.116 1.00 0.00 N ATOM 890 CA THR A 57 16.089 37.343 -6.603 1.00 0.00 C ATOM 891 C THR A 57 15.075 36.198 -6.641 1.00 0.00 C ATOM 892 O THR A 57 14.322 36.013 -5.686 1.00 0.00 O ATOM 893 CB THR A 57 17.203 37.024 -5.608 1.00 0.00 C ATOM 894 OG1 THR A 57 18.279 37.913 -5.806 1.00 0.00 O ATOM 895 CG2 THR A 57 17.724 35.595 -5.766 1.00 0.00 C ATOM 0 H THR A 57 15.130 38.452 -5.125 1.00 0.00 H new ATOM 0 HA THR A 57 16.530 37.504 -7.587 1.00 0.00 H new ATOM 0 HB THR A 57 16.784 37.130 -4.607 1.00 0.00 H new ATOM 0 HG1 THR A 57 18.993 37.710 -5.167 1.00 0.00 H new ATOM 0 HG21 THR A 57 18.515 35.413 -5.038 1.00 0.00 H new ATOM 0 HG22 THR A 57 16.909 34.890 -5.600 1.00 0.00 H new ATOM 0 HG23 THR A 57 18.120 35.461 -6.773 1.00 0.00 H new ATOM 903 N PRO A 58 15.037 35.423 -7.734 1.00 0.00 N ATOM 904 CA PRO A 58 14.152 34.284 -7.872 1.00 0.00 C ATOM 905 C PRO A 58 14.688 33.057 -7.131 1.00 0.00 C ATOM 906 O PRO A 58 15.894 32.929 -6.903 1.00 0.00 O ATOM 907 CB PRO A 58 14.073 34.034 -9.379 1.00 0.00 C ATOM 908 CG PRO A 58 15.458 34.458 -9.865 1.00 0.00 C ATOM 909 CD PRO A 58 15.837 35.606 -8.930 1.00 0.00 C ATOM 0 HA PRO A 58 13.172 34.477 -7.435 1.00 0.00 H new ATOM 0 HB2 PRO A 58 13.868 32.988 -9.605 1.00 0.00 H new ATOM 0 HB3 PRO A 58 13.283 34.622 -9.846 1.00 0.00 H new ATOM 0 HG2 PRO A 58 16.173 33.638 -9.801 1.00 0.00 H new ATOM 0 HG3 PRO A 58 15.435 34.781 -10.906 1.00 0.00 H new ATOM 0 HD2 PRO A 58 16.901 35.584 -8.696 1.00 0.00 H new ATOM 0 HD3 PRO A 58 15.632 36.571 -9.393 1.00 0.00 H new ATOM 917 N VAL A 59 13.774 32.157 -6.761 1.00 0.00 N ATOM 918 CA VAL A 59 14.076 30.908 -6.073 1.00 0.00 C ATOM 919 C VAL A 59 13.233 29.771 -6.639 1.00 0.00 C ATOM 920 O VAL A 59 12.135 30.010 -7.137 1.00 0.00 O ATOM 921 CB VAL A 59 13.879 31.049 -4.554 1.00 0.00 C ATOM 922 CG1 VAL A 59 14.442 29.841 -3.808 1.00 0.00 C ATOM 923 CG2 VAL A 59 14.554 32.315 -4.016 1.00 0.00 C ATOM 0 H VAL A 59 12.778 32.284 -6.938 1.00 0.00 H new ATOM 0 HA VAL A 59 15.126 30.668 -6.243 1.00 0.00 H new ATOM 0 HB VAL A 59 12.804 31.114 -4.384 1.00 0.00 H new ATOM 0 HG11 VAL A 59 14.288 29.971 -2.737 1.00 0.00 H new ATOM 0 HG12 VAL A 59 13.932 28.937 -4.142 1.00 0.00 H new ATOM 0 HG13 VAL A 59 15.509 29.752 -4.013 1.00 0.00 H new ATOM 0 HG21 VAL A 59 14.395 32.383 -2.940 1.00 0.00 H new ATOM 0 HG22 VAL A 59 15.623 32.273 -4.223 1.00 0.00 H new ATOM 0 HG23 VAL A 59 14.125 33.191 -4.502 1.00 0.00 H new ATOM 933 N GLU A 60 13.738 28.540 -6.564 1.00 0.00 N ATOM 934 CA GLU A 60 13.061 27.359 -7.086 1.00 0.00 C ATOM 935 C GLU A 60 12.981 26.263 -6.025 1.00 0.00 C ATOM 936 O GLU A 60 13.790 26.232 -5.100 1.00 0.00 O ATOM 937 CB GLU A 60 13.780 26.861 -8.341 1.00 0.00 C ATOM 938 CG GLU A 60 13.602 27.855 -9.491 1.00 0.00 C ATOM 939 CD GLU A 60 14.510 27.549 -10.680 1.00 0.00 C ATOM 940 OE1 GLU A 60 14.329 28.229 -11.715 1.00 0.00 O ATOM 941 OE2 GLU A 60 15.375 26.651 -10.555 1.00 0.00 O ATOM 0 H GLU A 60 14.640 28.335 -6.133 1.00 0.00 H new ATOM 0 HA GLU A 60 12.040 27.629 -7.355 1.00 0.00 H new ATOM 0 HB2 GLU A 60 14.841 26.726 -8.130 1.00 0.00 H new ATOM 0 HB3 GLU A 60 13.386 25.887 -8.630 1.00 0.00 H new ATOM 0 HG2 GLU A 60 12.563 27.842 -9.820 1.00 0.00 H new ATOM 0 HG3 GLU A 60 13.809 28.863 -9.130 1.00 0.00 H new ATOM 948 N ILE A 61 11.998 25.367 -6.165 1.00 0.00 N ATOM 949 CA ILE A 61 11.764 24.279 -5.223 1.00 0.00 C ATOM 950 C ILE A 61 11.468 22.995 -5.997 1.00 0.00 C ATOM 951 O ILE A 61 10.896 23.048 -7.084 1.00 0.00 O ATOM 952 CB ILE A 61 10.603 24.638 -4.285 1.00 0.00 C ATOM 953 CG1 ILE A 61 10.855 25.999 -3.624 1.00 0.00 C ATOM 954 CG2 ILE A 61 10.385 23.536 -3.238 1.00 0.00 C ATOM 955 CD1 ILE A 61 9.708 26.409 -2.702 1.00 0.00 C ATOM 0 H ILE A 61 11.339 25.381 -6.944 1.00 0.00 H new ATOM 0 HA ILE A 61 12.653 24.121 -4.613 1.00 0.00 H new ATOM 0 HB ILE A 61 9.689 24.713 -4.874 1.00 0.00 H new ATOM 0 HG12 ILE A 61 11.782 25.958 -3.053 1.00 0.00 H new ATOM 0 HG13 ILE A 61 10.989 26.757 -4.395 1.00 0.00 H new ATOM 0 HG21 ILE A 61 9.557 23.813 -2.585 1.00 0.00 H new ATOM 0 HG22 ILE A 61 10.152 22.597 -3.741 1.00 0.00 H new ATOM 0 HG23 ILE A 61 11.291 23.414 -2.644 1.00 0.00 H new ATOM 0 HD11 ILE A 61 9.929 27.379 -2.256 1.00 0.00 H new ATOM 0 HD12 ILE A 61 8.785 26.476 -3.278 1.00 0.00 H new ATOM 0 HD13 ILE A 61 9.591 25.665 -1.914 1.00 0.00 H new ATOM 967 N VAL A 62 11.858 21.849 -5.434 1.00 0.00 N ATOM 968 CA VAL A 62 11.635 20.539 -6.031 1.00 0.00 C ATOM 969 C VAL A 62 11.223 19.538 -4.957 1.00 0.00 C ATOM 970 O VAL A 62 11.726 19.586 -3.836 1.00 0.00 O ATOM 971 CB VAL A 62 12.898 20.063 -6.764 1.00 0.00 C ATOM 972 CG1 VAL A 62 12.676 18.697 -7.414 1.00 0.00 C ATOM 973 CG2 VAL A 62 13.316 21.056 -7.851 1.00 0.00 C ATOM 0 H VAL A 62 12.344 21.809 -4.538 1.00 0.00 H new ATOM 0 HA VAL A 62 10.828 20.616 -6.760 1.00 0.00 H new ATOM 0 HB VAL A 62 13.687 19.989 -6.016 1.00 0.00 H new ATOM 0 HG11 VAL A 62 13.587 18.385 -7.926 1.00 0.00 H new ATOM 0 HG12 VAL A 62 12.422 17.966 -6.646 1.00 0.00 H new ATOM 0 HG13 VAL A 62 11.860 18.765 -8.134 1.00 0.00 H new ATOM 0 HG21 VAL A 62 14.213 20.691 -8.352 1.00 0.00 H new ATOM 0 HG22 VAL A 62 12.511 21.159 -8.578 1.00 0.00 H new ATOM 0 HG23 VAL A 62 13.522 22.026 -7.398 1.00 0.00 H new ATOM 983 N ALA A 63 10.305 18.631 -5.300 1.00 0.00 N ATOM 984 CA ALA A 63 9.839 17.592 -4.392 1.00 0.00 C ATOM 985 C ALA A 63 9.187 16.456 -5.181 1.00 0.00 C ATOM 986 O ALA A 63 8.886 16.614 -6.362 1.00 0.00 O ATOM 987 CB ALA A 63 8.827 18.190 -3.416 1.00 0.00 C ATOM 0 H ALA A 63 9.865 18.601 -6.220 1.00 0.00 H new ATOM 0 HA ALA A 63 10.689 17.192 -3.839 1.00 0.00 H new ATOM 0 HB1 ALA A 63 8.476 17.415 -2.735 1.00 0.00 H new ATOM 0 HB2 ALA A 63 9.301 18.988 -2.844 1.00 0.00 H new ATOM 0 HB3 ALA A 63 7.981 18.595 -3.972 1.00 0.00 H new ATOM 993 N GLN A 64 8.963 15.310 -4.535 1.00 0.00 N ATOM 994 CA GLN A 64 8.345 14.168 -5.192 1.00 0.00 C ATOM 995 C GLN A 64 6.838 14.367 -5.375 1.00 0.00 C ATOM 996 O GLN A 64 6.216 13.661 -6.169 1.00 0.00 O ATOM 997 CB GLN A 64 8.659 12.912 -4.376 1.00 0.00 C ATOM 998 CG GLN A 64 8.075 11.659 -5.039 1.00 0.00 C ATOM 999 CD GLN A 64 8.667 10.376 -4.461 1.00 0.00 C ATOM 1000 OE1 GLN A 64 9.407 10.394 -3.481 1.00 0.00 O ATOM 1001 NE2 GLN A 64 8.344 9.238 -5.069 1.00 0.00 N ATOM 0 H GLN A 64 9.203 15.153 -3.556 1.00 0.00 H new ATOM 0 HA GLN A 64 8.756 14.059 -6.196 1.00 0.00 H new ATOM 0 HB2 GLN A 64 9.739 12.802 -4.273 1.00 0.00 H new ATOM 0 HB3 GLN A 64 8.252 13.018 -3.370 1.00 0.00 H new ATOM 0 HG2 GLN A 64 6.993 11.650 -4.907 1.00 0.00 H new ATOM 0 HG3 GLN A 64 8.265 11.695 -6.112 1.00 0.00 H new ATOM 0 HE21 GLN A 64 7.727 9.251 -5.881 1.00 0.00 H new ATOM 0 HE22 GLN A 64 8.713 8.352 -4.723 1.00 0.00 H new ATOM 1010 N ASN A 65 6.235 15.322 -4.653 1.00 0.00 N ATOM 1011 CA ASN A 65 4.803 15.573 -4.737 1.00 0.00 C ATOM 1012 C ASN A 65 4.450 17.001 -4.315 1.00 0.00 C ATOM 1013 O ASN A 65 5.256 17.694 -3.696 1.00 0.00 O ATOM 1014 CB ASN A 65 4.052 14.550 -3.871 1.00 0.00 C ATOM 1015 CG ASN A 65 4.579 14.513 -2.441 1.00 0.00 C ATOM 1016 OD1 ASN A 65 4.762 15.553 -1.815 1.00 0.00 O ATOM 1017 ND2 ASN A 65 4.828 13.322 -1.908 1.00 0.00 N ATOM 0 H ASN A 65 6.728 15.933 -4.002 1.00 0.00 H new ATOM 0 HA ASN A 65 4.497 15.463 -5.777 1.00 0.00 H new ATOM 0 HB2 ASN A 65 2.990 14.796 -3.859 1.00 0.00 H new ATOM 0 HB3 ASN A 65 4.145 13.560 -4.317 1.00 0.00 H new ATOM 0 HD21 ASN A 65 5.181 13.254 -0.954 1.00 0.00 H new ATOM 0 HD22 ASN A 65 4.666 12.475 -2.453 1.00 0.00 H new ATOM 1024 N LYS A 66 3.237 17.446 -4.656 1.00 0.00 N ATOM 1025 CA LYS A 66 2.755 18.774 -4.293 1.00 0.00 C ATOM 1026 C LYS A 66 2.421 18.843 -2.806 1.00 0.00 C ATOM 1027 O LYS A 66 2.319 19.928 -2.242 1.00 0.00 O ATOM 1028 CB LYS A 66 1.520 19.127 -5.124 1.00 0.00 C ATOM 1029 CG LYS A 66 1.860 19.175 -6.615 1.00 0.00 C ATOM 1030 CD LYS A 66 0.619 19.459 -7.464 1.00 0.00 C ATOM 1031 CE LYS A 66 0.031 20.827 -7.126 1.00 0.00 C ATOM 1032 NZ LYS A 66 -1.147 21.121 -7.963 1.00 0.00 N ATOM 0 H LYS A 66 2.566 16.894 -5.190 1.00 0.00 H new ATOM 0 HA LYS A 66 3.546 19.495 -4.501 1.00 0.00 H new ATOM 0 HB2 LYS A 66 0.736 18.390 -4.949 1.00 0.00 H new ATOM 0 HB3 LYS A 66 1.126 20.092 -4.806 1.00 0.00 H new ATOM 0 HG2 LYS A 66 2.609 19.947 -6.794 1.00 0.00 H new ATOM 0 HG3 LYS A 66 2.301 18.226 -6.919 1.00 0.00 H new ATOM 0 HD2 LYS A 66 0.880 19.422 -8.522 1.00 0.00 H new ATOM 0 HD3 LYS A 66 -0.129 18.685 -7.293 1.00 0.00 H new ATOM 0 HE2 LYS A 66 -0.251 20.855 -6.073 1.00 0.00 H new ATOM 0 HE3 LYS A 66 0.787 21.598 -7.274 1.00 0.00 H new ATOM 0 HZ1 LYS A 66 -1.526 22.056 -7.712 1.00 0.00 H new ATOM 0 HZ2 LYS A 66 -0.870 21.117 -8.966 1.00 0.00 H new ATOM 0 HZ3 LYS A 66 -1.876 20.397 -7.802 1.00 0.00 H new ATOM 1046 N GLU A 67 2.248 17.684 -2.164 1.00 0.00 N ATOM 1047 CA GLU A 67 1.919 17.604 -0.748 1.00 0.00 C ATOM 1048 C GLU A 67 3.104 18.000 0.131 1.00 0.00 C ATOM 1049 O GLU A 67 2.966 18.075 1.349 1.00 0.00 O ATOM 1050 CB GLU A 67 1.457 16.184 -0.405 1.00 0.00 C ATOM 1051 CG GLU A 67 0.246 15.748 -1.239 1.00 0.00 C ATOM 1052 CD GLU A 67 -1.012 16.576 -0.960 1.00 0.00 C ATOM 1053 OE1 GLU A 67 -1.973 16.435 -1.752 1.00 0.00 O ATOM 1054 OE2 GLU A 67 -1.021 17.342 0.029 1.00 0.00 O ATOM 0 H GLU A 67 2.334 16.775 -2.618 1.00 0.00 H new ATOM 0 HA GLU A 67 1.113 18.310 -0.548 1.00 0.00 H new ATOM 0 HB2 GLU A 67 2.279 15.487 -0.570 1.00 0.00 H new ATOM 0 HB3 GLU A 67 1.203 16.133 0.654 1.00 0.00 H new ATOM 0 HG2 GLU A 67 0.496 15.825 -2.297 1.00 0.00 H new ATOM 0 HG3 GLU A 67 0.034 14.698 -1.037 1.00 0.00 H new ATOM 1061 N GLN A 68 4.267 18.255 -0.481 1.00 0.00 N ATOM 1062 CA GLN A 68 5.458 18.675 0.242 1.00 0.00 C ATOM 1063 C GLN A 68 6.117 19.883 -0.426 1.00 0.00 C ATOM 1064 O GLN A 68 6.768 20.674 0.249 1.00 0.00 O ATOM 1065 CB GLN A 68 6.447 17.507 0.321 1.00 0.00 C ATOM 1066 CG GLN A 68 5.868 16.312 1.087 1.00 0.00 C ATOM 1067 CD GLN A 68 6.699 15.049 0.877 1.00 0.00 C ATOM 1068 OE1 GLN A 68 6.150 13.967 0.692 1.00 0.00 O ATOM 1069 NE2 GLN A 68 8.023 15.167 0.902 1.00 0.00 N ATOM 0 H GLN A 68 4.401 18.174 -1.489 1.00 0.00 H new ATOM 0 HA GLN A 68 5.164 18.973 1.248 1.00 0.00 H new ATOM 0 HB2 GLN A 68 6.719 17.194 -0.687 1.00 0.00 H new ATOM 0 HB3 GLN A 68 7.363 17.840 0.809 1.00 0.00 H new ATOM 0 HG2 GLN A 68 5.826 16.547 2.150 1.00 0.00 H new ATOM 0 HG3 GLN A 68 4.844 16.132 0.760 1.00 0.00 H new ATOM 0 HE21 GLN A 68 8.451 16.080 1.058 1.00 0.00 H new ATOM 0 HE22 GLN A 68 8.611 14.345 0.765 1.00 0.00 H new ATOM 1078 N CYS A 69 5.956 20.045 -1.743 1.00 0.00 N ATOM 1079 CA CYS A 69 6.578 21.159 -2.446 1.00 0.00 C ATOM 1080 C CYS A 69 5.912 22.463 -2.002 1.00 0.00 C ATOM 1081 O CYS A 69 6.564 23.501 -1.934 1.00 0.00 O ATOM 1082 CB CYS A 69 6.369 20.961 -3.945 1.00 0.00 C ATOM 1083 SG CYS A 69 7.538 22.012 -4.850 1.00 0.00 S ATOM 0 H CYS A 69 5.405 19.423 -2.334 1.00 0.00 H new ATOM 0 HA CYS A 69 7.644 21.204 -2.223 1.00 0.00 H new ATOM 0 HB2 CYS A 69 6.520 19.915 -4.211 1.00 0.00 H new ATOM 0 HB3 CYS A 69 5.345 21.215 -4.219 1.00 0.00 H new ATOM 0 HG CYS A 69 7.369 21.848 -6.128 1.00 0.00 H new ATOM 1089 N GLN A 70 4.609 22.409 -1.698 1.00 0.00 N ATOM 1090 CA GLN A 70 3.873 23.576 -1.237 1.00 0.00 C ATOM 1091 C GLN A 70 4.237 23.923 0.203 1.00 0.00 C ATOM 1092 O GLN A 70 4.174 25.086 0.589 1.00 0.00 O ATOM 1093 CB GLN A 70 2.369 23.306 -1.329 1.00 0.00 C ATOM 1094 CG GLN A 70 1.899 23.079 -2.768 1.00 0.00 C ATOM 1095 CD GLN A 70 2.014 24.332 -3.637 1.00 0.00 C ATOM 1096 OE1 GLN A 70 2.264 25.430 -3.148 1.00 0.00 O ATOM 1097 NE2 GLN A 70 1.827 24.165 -4.945 1.00 0.00 N ATOM 0 H GLN A 70 4.047 21.561 -1.766 1.00 0.00 H new ATOM 0 HA GLN A 70 4.140 24.419 -1.874 1.00 0.00 H new ATOM 0 HB2 GLN A 70 2.123 22.430 -0.728 1.00 0.00 H new ATOM 0 HB3 GLN A 70 1.825 24.149 -0.902 1.00 0.00 H new ATOM 0 HG2 GLN A 70 2.488 22.278 -3.215 1.00 0.00 H new ATOM 0 HG3 GLN A 70 0.862 22.744 -2.757 1.00 0.00 H new ATOM 0 HE21 GLN A 70 1.621 23.238 -5.316 1.00 0.00 H new ATOM 0 HE22 GLN A 70 1.890 24.964 -5.575 1.00 0.00 H new ATOM 1106 N GLU A 71 4.624 22.927 1.002 1.00 0.00 N ATOM 1107 CA GLU A 71 4.980 23.166 2.389 1.00 0.00 C ATOM 1108 C GLU A 71 6.318 23.897 2.470 1.00 0.00 C ATOM 1109 O GLU A 71 6.511 24.728 3.354 1.00 0.00 O ATOM 1110 CB GLU A 71 5.046 21.833 3.140 1.00 0.00 C ATOM 1111 CG GLU A 71 3.734 21.045 3.040 1.00 0.00 C ATOM 1112 CD GLU A 71 2.544 21.768 3.680 1.00 0.00 C ATOM 1113 OE1 GLU A 71 1.404 21.322 3.421 1.00 0.00 O ATOM 1114 OE2 GLU A 71 2.771 22.753 4.419 1.00 0.00 O ATOM 0 H GLU A 71 4.697 21.953 0.708 1.00 0.00 H new ATOM 0 HA GLU A 71 4.219 23.794 2.854 1.00 0.00 H new ATOM 0 HB2 GLU A 71 5.861 21.231 2.737 1.00 0.00 H new ATOM 0 HB3 GLU A 71 5.276 22.020 4.189 1.00 0.00 H new ATOM 0 HG2 GLU A 71 3.512 20.853 1.990 1.00 0.00 H new ATOM 0 HG3 GLU A 71 3.863 20.075 3.521 1.00 0.00 H new ATOM 1121 N ALA A 72 7.240 23.596 1.551 1.00 0.00 N ATOM 1122 CA ALA A 72 8.525 24.271 1.488 1.00 0.00 C ATOM 1123 C ALA A 72 8.388 25.641 0.811 1.00 0.00 C ATOM 1124 O ALA A 72 9.245 26.501 0.976 1.00 0.00 O ATOM 1125 CB ALA A 72 9.501 23.379 0.723 1.00 0.00 C ATOM 0 H ALA A 72 7.111 22.880 0.836 1.00 0.00 H new ATOM 0 HA ALA A 72 8.901 24.446 2.496 1.00 0.00 H new ATOM 0 HB1 ALA A 72 10.473 23.869 0.665 1.00 0.00 H new ATOM 0 HB2 ALA A 72 9.606 22.426 1.241 1.00 0.00 H new ATOM 0 HB3 ALA A 72 9.122 23.205 -0.284 1.00 0.00 H new ATOM 1131 N ARG A 73 7.309 25.842 0.044 1.00 0.00 N ATOM 1132 CA ARG A 73 7.030 27.105 -0.628 1.00 0.00 C ATOM 1133 C ARG A 73 6.428 28.113 0.340 1.00 0.00 C ATOM 1134 O ARG A 73 6.837 29.270 0.354 1.00 0.00 O ATOM 1135 CB ARG A 73 6.081 26.825 -1.797 1.00 0.00 C ATOM 1136 CG ARG A 73 5.468 28.082 -2.417 1.00 0.00 C ATOM 1137 CD ARG A 73 6.537 29.034 -2.963 1.00 0.00 C ATOM 1138 NE ARG A 73 5.960 29.997 -3.907 1.00 0.00 N ATOM 1139 CZ ARG A 73 5.035 30.914 -3.608 1.00 0.00 C ATOM 1140 NH1 ARG A 73 4.573 31.043 -2.367 1.00 0.00 N ATOM 1141 NH2 ARG A 73 4.564 31.714 -4.562 1.00 0.00 N ATOM 0 H ARG A 73 6.604 25.124 -0.125 1.00 0.00 H new ATOM 0 HA ARG A 73 7.956 27.540 -1.003 1.00 0.00 H new ATOM 0 HB2 ARG A 73 6.624 26.279 -2.569 1.00 0.00 H new ATOM 0 HB3 ARG A 73 5.278 26.174 -1.451 1.00 0.00 H new ATOM 0 HG2 ARG A 73 4.792 27.796 -3.223 1.00 0.00 H new ATOM 0 HG3 ARG A 73 4.870 28.601 -1.668 1.00 0.00 H new ATOM 0 HD2 ARG A 73 7.008 29.568 -2.137 1.00 0.00 H new ATOM 0 HD3 ARG A 73 7.320 28.460 -3.459 1.00 0.00 H new ATOM 0 HE ARG A 73 6.292 29.964 -4.871 1.00 0.00 H new ATOM 0 HH11 ARG A 73 4.925 30.437 -1.626 1.00 0.00 H new ATOM 0 HH12 ARG A 73 3.867 31.748 -2.156 1.00 0.00 H new ATOM 0 HH21 ARG A 73 4.909 31.626 -5.518 1.00 0.00 H new ATOM 0 HH22 ARG A 73 3.858 32.415 -4.337 1.00 0.00 H new ATOM 1155 N ASN A 74 5.462 27.677 1.149 1.00 0.00 N ATOM 1156 CA ASN A 74 4.783 28.560 2.087 1.00 0.00 C ATOM 1157 C ASN A 74 5.625 28.850 3.327 1.00 0.00 C ATOM 1158 O ASN A 74 5.289 29.743 4.100 1.00 0.00 O ATOM 1159 CB ASN A 74 3.431 27.943 2.449 1.00 0.00 C ATOM 1160 CG ASN A 74 2.470 27.979 1.267 1.00 0.00 C ATOM 1161 OD1 ASN A 74 2.298 29.016 0.633 1.00 0.00 O ATOM 1162 ND2 ASN A 74 1.832 26.853 0.962 1.00 0.00 N ATOM 0 H ASN A 74 5.134 26.712 1.170 1.00 0.00 H new ATOM 0 HA ASN A 74 4.625 29.527 1.610 1.00 0.00 H new ATOM 0 HB2 ASN A 74 3.575 26.912 2.772 1.00 0.00 H new ATOM 0 HB3 ASN A 74 2.996 28.483 3.290 1.00 0.00 H new ATOM 0 HD21 ASN A 74 1.177 26.834 0.181 1.00 0.00 H new ATOM 0 HD22 ASN A 74 1.998 26.008 1.509 1.00 0.00 H new ATOM 1169 N ALA A 75 6.720 28.107 3.527 1.00 0.00 N ATOM 1170 CA ALA A 75 7.605 28.326 4.660 1.00 0.00 C ATOM 1171 C ALA A 75 8.597 29.464 4.400 1.00 0.00 C ATOM 1172 O ALA A 75 9.190 29.985 5.340 1.00 0.00 O ATOM 1173 CB ALA A 75 8.356 27.025 4.952 1.00 0.00 C ATOM 0 H ALA A 75 7.009 27.347 2.911 1.00 0.00 H new ATOM 0 HA ALA A 75 7.004 28.619 5.521 1.00 0.00 H new ATOM 0 HB1 ALA A 75 9.025 27.173 5.800 1.00 0.00 H new ATOM 0 HB2 ALA A 75 7.641 26.237 5.187 1.00 0.00 H new ATOM 0 HB3 ALA A 75 8.938 26.737 4.077 1.00 0.00 H new ATOM 1179 N VAL A 76 8.785 29.857 3.135 1.00 0.00 N ATOM 1180 CA VAL A 76 9.753 30.886 2.766 1.00 0.00 C ATOM 1181 C VAL A 76 9.090 32.235 2.508 1.00 0.00 C ATOM 1182 O VAL A 76 9.772 33.234 2.289 1.00 0.00 O ATOM 1183 CB VAL A 76 10.592 30.396 1.573 1.00 0.00 C ATOM 1184 CG1 VAL A 76 11.739 31.343 1.224 1.00 0.00 C ATOM 1185 CG2 VAL A 76 11.215 29.037 1.896 1.00 0.00 C ATOM 0 H VAL A 76 8.271 29.470 2.344 1.00 0.00 H new ATOM 0 HA VAL A 76 10.425 31.055 3.608 1.00 0.00 H new ATOM 0 HB VAL A 76 9.908 30.340 0.726 1.00 0.00 H new ATOM 0 HG11 VAL A 76 12.295 30.944 0.375 1.00 0.00 H new ATOM 0 HG12 VAL A 76 11.336 32.323 0.966 1.00 0.00 H new ATOM 0 HG13 VAL A 76 12.405 31.439 2.081 1.00 0.00 H new ATOM 0 HG21 VAL A 76 11.807 28.697 1.046 1.00 0.00 H new ATOM 0 HG22 VAL A 76 11.857 29.130 2.772 1.00 0.00 H new ATOM 0 HG23 VAL A 76 10.425 28.314 2.100 1.00 0.00 H new ATOM 1195 N MET A 77 7.756 32.285 2.530 1.00 0.00 N ATOM 1196 CA MET A 77 7.042 33.526 2.259 1.00 0.00 C ATOM 1197 C MET A 77 6.906 34.432 3.485 1.00 0.00 C ATOM 1198 O MET A 77 6.438 35.561 3.351 1.00 0.00 O ATOM 1199 CB MET A 77 5.664 33.203 1.678 1.00 0.00 C ATOM 1200 CG MET A 77 5.769 32.492 0.329 1.00 0.00 C ATOM 1201 SD MET A 77 6.453 33.493 -1.020 1.00 0.00 S ATOM 1202 CE MET A 77 8.181 32.943 -0.974 1.00 0.00 C ATOM 0 H MET A 77 7.156 31.485 2.731 1.00 0.00 H new ATOM 0 HA MET A 77 7.636 34.086 1.537 1.00 0.00 H new ATOM 0 HB2 MET A 77 5.113 32.575 2.378 1.00 0.00 H new ATOM 0 HB3 MET A 77 5.094 34.125 1.560 1.00 0.00 H new ATOM 0 HG2 MET A 77 6.389 31.604 0.452 1.00 0.00 H new ATOM 0 HG3 MET A 77 4.776 32.150 0.038 1.00 0.00 H new ATOM 0 HE1 MET A 77 8.783 33.680 -0.443 1.00 0.00 H new ATOM 0 HE2 MET A 77 8.244 31.984 -0.460 1.00 0.00 H new ATOM 0 HE3 MET A 77 8.555 32.834 -1.992 1.00 0.00 H new ATOM 1212 N SER A 78 7.302 33.970 4.677 1.00 0.00 N ATOM 1213 CA SER A 78 7.192 34.795 5.874 1.00 0.00 C ATOM 1214 C SER A 78 8.123 34.341 6.996 1.00 0.00 C ATOM 1215 O SER A 78 8.659 35.183 7.719 1.00 0.00 O ATOM 1216 CB SER A 78 5.742 34.756 6.358 1.00 0.00 C ATOM 1217 OG SER A 78 5.588 35.528 7.529 1.00 0.00 O ATOM 0 H SER A 78 7.695 33.042 4.832 1.00 0.00 H new ATOM 0 HA SER A 78 7.492 35.809 5.611 1.00 0.00 H new ATOM 0 HB2 SER A 78 5.082 35.134 5.577 1.00 0.00 H new ATOM 0 HB3 SER A 78 5.446 33.725 6.554 1.00 0.00 H new ATOM 0 HG SER A 78 4.654 35.493 7.824 1.00 0.00 H new ATOM 1223 N LEU A 79 8.328 33.030 7.152 1.00 0.00 N ATOM 1224 CA LEU A 79 9.167 32.505 8.219 1.00 0.00 C ATOM 1225 C LEU A 79 10.622 32.409 7.774 1.00 0.00 C ATOM 1226 O LEU A 79 11.524 32.825 8.499 1.00 0.00 O ATOM 1227 CB LEU A 79 8.647 31.124 8.637 1.00 0.00 C ATOM 1228 CG LEU A 79 7.168 31.150 9.043 1.00 0.00 C ATOM 1229 CD1 LEU A 79 6.719 29.733 9.393 1.00 0.00 C ATOM 1230 CD2 LEU A 79 6.948 32.057 10.251 1.00 0.00 C ATOM 0 H LEU A 79 7.921 32.316 6.548 1.00 0.00 H new ATOM 0 HA LEU A 79 9.123 33.186 9.069 1.00 0.00 H new ATOM 0 HB2 LEU A 79 8.782 30.424 7.812 1.00 0.00 H new ATOM 0 HB3 LEU A 79 9.243 30.752 9.471 1.00 0.00 H new ATOM 0 HG LEU A 79 6.586 31.538 8.207 1.00 0.00 H new ATOM 0 HD11 LEU A 79 5.668 29.745 9.682 1.00 0.00 H new ATOM 0 HD12 LEU A 79 6.849 29.086 8.526 1.00 0.00 H new ATOM 0 HD13 LEU A 79 7.319 29.355 10.221 1.00 0.00 H new ATOM 0 HD21 LEU A 79 5.891 32.057 10.518 1.00 0.00 H new ATOM 0 HD22 LEU A 79 7.535 31.690 11.093 1.00 0.00 H new ATOM 0 HD23 LEU A 79 7.261 33.072 10.006 1.00 0.00 H new ATOM 1242 N MET A 80 10.844 31.860 6.577 1.00 0.00 N ATOM 1243 CA MET A 80 12.161 31.663 5.978 1.00 0.00 C ATOM 1244 C MET A 80 13.114 30.895 6.900 1.00 0.00 C ATOM 1245 O MET A 80 14.308 30.829 6.624 1.00 0.00 O ATOM 1246 CB MET A 80 12.746 33.014 5.551 1.00 0.00 C ATOM 1247 CG MET A 80 11.701 33.849 4.812 1.00 0.00 C ATOM 1248 SD MET A 80 12.306 35.429 4.167 1.00 0.00 S ATOM 1249 CE MET A 80 13.240 34.821 2.740 1.00 0.00 C ATOM 0 H MET A 80 10.085 31.530 5.981 1.00 0.00 H new ATOM 0 HA MET A 80 12.038 31.041 5.092 1.00 0.00 H new ATOM 0 HB2 MET A 80 13.097 33.557 6.428 1.00 0.00 H new ATOM 0 HB3 MET A 80 13.611 32.854 4.908 1.00 0.00 H new ATOM 0 HG2 MET A 80 11.308 33.261 3.983 1.00 0.00 H new ATOM 0 HG3 MET A 80 10.868 34.044 5.488 1.00 0.00 H new ATOM 0 HE1 MET A 80 13.005 35.428 1.866 1.00 0.00 H new ATOM 0 HE2 MET A 80 14.308 34.885 2.950 1.00 0.00 H new ATOM 0 HE3 MET A 80 12.970 33.783 2.544 1.00 0.00 H new ATOM 1259 N GLN A 81 12.590 30.322 7.990 1.00 0.00 N ATOM 1260 CA GLN A 81 13.366 29.641 9.021 1.00 0.00 C ATOM 1261 C GLN A 81 14.520 30.492 9.564 1.00 0.00 C ATOM 1262 O GLN A 81 15.452 29.958 10.161 1.00 0.00 O ATOM 1263 CB GLN A 81 13.797 28.246 8.550 1.00 0.00 C ATOM 1264 CG GLN A 81 12.582 27.326 8.376 1.00 0.00 C ATOM 1265 CD GLN A 81 11.809 27.102 9.673 1.00 0.00 C ATOM 1266 OE1 GLN A 81 12.344 27.270 10.767 1.00 0.00 O ATOM 1267 NE2 GLN A 81 10.540 26.721 9.559 1.00 0.00 N ATOM 0 H GLN A 81 11.588 30.322 8.180 1.00 0.00 H new ATOM 0 HA GLN A 81 12.712 29.494 9.881 1.00 0.00 H new ATOM 0 HB2 GLN A 81 14.335 28.327 7.605 1.00 0.00 H new ATOM 0 HB3 GLN A 81 14.487 27.811 9.273 1.00 0.00 H new ATOM 0 HG2 GLN A 81 11.913 27.756 7.631 1.00 0.00 H new ATOM 0 HG3 GLN A 81 12.915 26.363 7.988 1.00 0.00 H new ATOM 0 HE21 GLN A 81 10.128 26.591 8.635 1.00 0.00 H new ATOM 0 HE22 GLN A 81 9.979 26.559 10.395 1.00 0.00 H new