USER MOD reduce.3.24.130724 H: found=0, std=0, add=632, rem=0, adj=23 USER MOD reduce.3.24.130724 removed 634 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 18 GLN : amide:sc= 0 X(o=-0.27,f=-0.45) USER MOD Set 1.2: A 77 TYR OH : rot -73:sc= -0.268 USER MOD Set 2.1: A 65 GLN : amide:sc= -1.14 K(o=-1.2,f=-0.58) USER MOD Set 2.2: A 67 LYS NZ :NH3+ 174:sc= -0.0484 (180deg=0) USER MOD Single : A 13 GLN : amide:sc= -0.319 K(o=-0.32,f=-0.98) USER MOD Single : A 17 ASN : amide:sc= -1.5 K(o=-1.5,f=-5.3!) USER MOD Single : A 19 THR OG1 : rot 180:sc= 0 USER MOD Single : A 25 THR OG1 : rot 180:sc= 0 USER MOD Single : A 29 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 31 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 33 THR OG1 : rot 180:sc= 0 USER MOD Single : A 41 SER OG : rot 13:sc= 0.0261 USER MOD Single : A 44 LYS NZ :NH3+ 176:sc= 1.07 (180deg=1.04) USER MOD Single : A 48 THR OG1 : rot 180:sc= 0 USER MOD Single : A 57 THR OG1 : rot 180:sc= 0 USER MOD Single : A 63 THR OG1 : rot 180:sc= 0 USER MOD Single : A 68 ASN : amide:sc= -1.46 K(o=-1.5,f=-7!) USER MOD Single : A 72 SER OG : rot 180:sc= 0 USER MOD Single : A 74 THR OG1 : rot 180:sc= -0.0412 USER MOD Single : A 76 THR OG1 : rot 180:sc= 0 USER MOD Single : A 78 THR OG1 : rot 180:sc= 0 USER MOD Single : A 82 THR OG1 : rot 180:sc= 0 USER MOD Single : A 83 SER OG : rot -178:sc= -0.659 USER MOD Single : A 84 SER OG : rot 180:sc= 0 USER MOD Single : A 85 SER OG : rot 180:sc= 0 USER MOD Single : A 88 THR OG1 : rot 180:sc= -0.0476 USER MOD Single : A 89 SER OG : rot 180:sc= 0 USER MOD Single : A 91 SER OG : rot 180:sc= 0 USER MOD Single : A 97 THR OG1 : rot -140:sc= -0.554 USER MOD Single : A 99 SER OG : rot 180:sc= 0 USER MOD ----------------------------------------------------------------- ATOM 80 N PRO A 9 8.885 15.296 0.027 1.00 0.00 N ATOM 81 CA PRO A 9 8.385 14.093 0.699 1.00 0.00 C ATOM 82 C PRO A 9 9.238 12.864 0.399 1.00 0.00 C ATOM 83 O PRO A 9 9.357 12.447 -0.753 1.00 0.00 O ATOM 84 CB PRO A 9 6.978 13.922 0.121 1.00 0.00 C ATOM 85 CG PRO A 9 7.031 14.594 -1.208 1.00 0.00 C ATOM 86 CD PRO A 9 7.989 15.742 -1.054 1.00 0.00 C ATOM 0 HA PRO A 9 8.405 14.194 1.784 1.00 0.00 H new ATOM 0 HB2 PRO A 9 6.716 12.869 0.022 1.00 0.00 H new ATOM 0 HB3 PRO A 9 6.227 14.378 0.766 1.00 0.00 H new ATOM 0 HG2 PRO A 9 7.370 13.904 -1.981 1.00 0.00 H new ATOM 0 HG3 PRO A 9 6.044 14.947 -1.506 1.00 0.00 H new ATOM 0 HD2 PRO A 9 8.537 15.935 -1.976 1.00 0.00 H new ATOM 0 HD3 PRO A 9 7.472 16.665 -0.792 1.00 0.00 H new ATOM 94 N ILE A 10 9.827 12.290 1.442 1.00 0.00 N ATOM 95 CA ILE A 10 10.667 11.108 1.289 1.00 0.00 C ATOM 96 C ILE A 10 10.107 9.930 2.078 1.00 0.00 C ATOM 97 O ILE A 10 9.828 10.046 3.272 1.00 0.00 O ATOM 98 CB ILE A 10 12.111 11.380 1.750 1.00 0.00 C ATOM 99 CG1 ILE A 10 12.738 12.492 0.906 1.00 0.00 C ATOM 100 CG2 ILE A 10 12.943 10.109 1.664 1.00 0.00 C ATOM 101 CD1 ILE A 10 13.926 13.155 1.567 1.00 0.00 C ATOM 0 H ILE A 10 9.738 12.624 2.402 1.00 0.00 H new ATOM 0 HA ILE A 10 10.674 10.861 0.227 1.00 0.00 H new ATOM 0 HB ILE A 10 12.089 11.707 2.790 1.00 0.00 H new ATOM 0 HG12 ILE A 10 13.050 12.077 -0.052 1.00 0.00 H new ATOM 0 HG13 ILE A 10 11.981 13.248 0.695 1.00 0.00 H new ATOM 0 HG21 ILE A 10 13.961 10.318 1.993 1.00 0.00 H new ATOM 0 HG22 ILE A 10 12.505 9.343 2.304 1.00 0.00 H new ATOM 0 HG23 ILE A 10 12.960 9.755 0.633 1.00 0.00 H new ATOM 0 HD11 ILE A 10 14.319 13.933 0.912 1.00 0.00 H new ATOM 0 HD12 ILE A 10 13.615 13.600 2.512 1.00 0.00 H new ATOM 0 HD13 ILE A 10 14.701 12.411 1.753 1.00 0.00 H new ATOM 113 N ILE A 11 9.945 8.797 1.403 1.00 0.00 N ATOM 114 CA ILE A 11 9.421 7.596 2.042 1.00 0.00 C ATOM 115 C ILE A 11 10.537 6.795 2.706 1.00 0.00 C ATOM 116 O ILE A 11 11.214 5.997 2.056 1.00 0.00 O ATOM 117 CB ILE A 11 8.689 6.694 1.032 1.00 0.00 C ATOM 118 CG1 ILE A 11 7.486 7.430 0.437 1.00 0.00 C ATOM 119 CG2 ILE A 11 8.247 5.400 1.699 1.00 0.00 C ATOM 120 CD1 ILE A 11 6.889 6.737 -0.768 1.00 0.00 C ATOM 0 H ILE A 11 10.169 8.685 0.414 1.00 0.00 H new ATOM 0 HA ILE A 11 8.712 7.927 2.801 1.00 0.00 H new ATOM 0 HB ILE A 11 9.377 6.446 0.224 1.00 0.00 H new ATOM 0 HG12 ILE A 11 6.718 7.534 1.204 1.00 0.00 H new ATOM 0 HG13 ILE A 11 7.791 8.437 0.153 1.00 0.00 H new ATOM 0 HG21 ILE A 11 7.731 4.773 0.971 1.00 0.00 H new ATOM 0 HG22 ILE A 11 9.120 4.870 2.080 1.00 0.00 H new ATOM 0 HG23 ILE A 11 7.573 5.628 2.524 1.00 0.00 H new ATOM 0 HD11 ILE A 11 6.041 7.314 -1.137 1.00 0.00 H new ATOM 0 HD12 ILE A 11 7.642 6.657 -1.552 1.00 0.00 H new ATOM 0 HD13 ILE A 11 6.553 5.740 -0.485 1.00 0.00 H new ATOM 132 N LEU A 12 10.721 7.011 4.004 1.00 0.00 N ATOM 133 CA LEU A 12 11.753 6.308 4.757 1.00 0.00 C ATOM 134 C LEU A 12 11.580 4.797 4.639 1.00 0.00 C ATOM 135 O LEU A 12 12.498 4.088 4.229 1.00 0.00 O ATOM 136 CB LEU A 12 11.711 6.724 6.228 1.00 0.00 C ATOM 137 CG LEU A 12 11.906 8.214 6.510 1.00 0.00 C ATOM 138 CD1 LEU A 12 11.345 8.577 7.876 1.00 0.00 C ATOM 139 CD2 LEU A 12 13.379 8.586 6.421 1.00 0.00 C ATOM 0 H LEU A 12 10.169 7.667 4.556 1.00 0.00 H new ATOM 0 HA LEU A 12 12.722 6.578 4.337 1.00 0.00 H new ATOM 0 HB2 LEU A 12 10.751 6.419 6.644 1.00 0.00 H new ATOM 0 HB3 LEU A 12 12.481 6.169 6.764 1.00 0.00 H new ATOM 0 HG LEU A 12 11.362 8.781 5.754 1.00 0.00 H new ATOM 0 HD11 LEU A 12 11.493 9.641 8.059 1.00 0.00 H new ATOM 0 HD12 LEU A 12 10.280 8.349 7.904 1.00 0.00 H new ATOM 0 HD13 LEU A 12 11.860 8.002 8.645 1.00 0.00 H new ATOM 0 HD21 LEU A 12 13.498 9.650 6.625 1.00 0.00 H new ATOM 0 HD22 LEU A 12 13.945 8.011 7.154 1.00 0.00 H new ATOM 0 HD23 LEU A 12 13.751 8.364 5.421 1.00 0.00 H new ATOM 151 N GLN A 13 10.396 4.312 5.000 1.00 0.00 N ATOM 152 CA GLN A 13 10.102 2.886 4.933 1.00 0.00 C ATOM 153 C GLN A 13 8.857 2.626 4.090 1.00 0.00 C ATOM 154 O GLN A 13 7.746 2.555 4.612 1.00 0.00 O ATOM 155 CB GLN A 13 9.908 2.317 6.339 1.00 0.00 C ATOM 156 CG GLN A 13 9.608 0.827 6.357 1.00 0.00 C ATOM 157 CD GLN A 13 10.569 0.028 5.498 1.00 0.00 C ATOM 158 OE1 GLN A 13 11.757 0.341 5.420 1.00 0.00 O ATOM 159 NE2 GLN A 13 10.058 -1.010 4.847 1.00 0.00 N ATOM 0 H GLN A 13 9.625 4.886 5.342 1.00 0.00 H new ATOM 0 HA GLN A 13 10.949 2.388 4.461 1.00 0.00 H new ATOM 0 HB2 GLN A 13 10.808 2.505 6.925 1.00 0.00 H new ATOM 0 HB3 GLN A 13 9.092 2.849 6.828 1.00 0.00 H new ATOM 0 HG2 GLN A 13 9.655 0.463 7.383 1.00 0.00 H new ATOM 0 HG3 GLN A 13 8.589 0.661 6.007 1.00 0.00 H new ATOM 0 HE21 GLN A 13 9.067 -1.233 4.941 1.00 0.00 H new ATOM 0 HE22 GLN A 13 10.656 -1.584 4.253 1.00 0.00 H new ATOM 168 N GLY A 14 9.053 2.484 2.783 1.00 0.00 N ATOM 169 CA GLY A 14 7.938 2.233 1.889 1.00 0.00 C ATOM 170 C GLY A 14 7.555 0.768 1.836 1.00 0.00 C ATOM 171 O GLY A 14 8.030 -0.049 2.625 1.00 0.00 O ATOM 0 H GLY A 14 9.964 2.538 2.327 1.00 0.00 H new ATOM 0 HA2 GLY A 14 7.078 2.819 2.213 1.00 0.00 H new ATOM 0 HA3 GLY A 14 8.196 2.574 0.887 1.00 0.00 H new ATOM 175 N PRO A 15 6.674 0.416 0.888 1.00 0.00 N ATOM 176 CA PRO A 15 6.206 -0.962 0.713 1.00 0.00 C ATOM 177 C PRO A 15 7.299 -1.881 0.177 1.00 0.00 C ATOM 178 O PRO A 15 8.435 -1.456 -0.028 1.00 0.00 O ATOM 179 CB PRO A 15 5.073 -0.827 -0.307 1.00 0.00 C ATOM 180 CG PRO A 15 5.394 0.414 -1.067 1.00 0.00 C ATOM 181 CD PRO A 15 6.066 1.337 -0.088 1.00 0.00 C ATOM 0 HA PRO A 15 5.895 -1.409 1.657 1.00 0.00 H new ATOM 0 HB2 PRO A 15 5.028 -1.694 -0.966 1.00 0.00 H new ATOM 0 HB3 PRO A 15 4.104 -0.750 0.186 1.00 0.00 H new ATOM 0 HG2 PRO A 15 6.049 0.196 -1.911 1.00 0.00 H new ATOM 0 HG3 PRO A 15 4.490 0.867 -1.474 1.00 0.00 H new ATOM 0 HD2 PRO A 15 6.817 1.960 -0.574 1.00 0.00 H new ATOM 0 HD3 PRO A 15 5.351 2.010 0.386 1.00 0.00 H new ATOM 189 N ALA A 16 6.947 -3.143 -0.048 1.00 0.00 N ATOM 190 CA ALA A 16 7.897 -4.121 -0.563 1.00 0.00 C ATOM 191 C ALA A 16 7.177 -5.344 -1.121 1.00 0.00 C ATOM 192 O ALA A 16 6.180 -5.798 -0.562 1.00 0.00 O ATOM 193 CB ALA A 16 8.874 -4.532 0.528 1.00 0.00 C ATOM 0 H ALA A 16 6.011 -3.512 0.118 1.00 0.00 H new ATOM 0 HA ALA A 16 8.454 -3.657 -1.377 1.00 0.00 H new ATOM 0 HB1 ALA A 16 9.578 -5.263 0.130 1.00 0.00 H new ATOM 0 HB2 ALA A 16 9.420 -3.655 0.877 1.00 0.00 H new ATOM 0 HB3 ALA A 16 8.325 -4.973 1.360 1.00 0.00 H new ATOM 199 N ASN A 17 7.690 -5.874 -2.227 1.00 0.00 N ATOM 200 CA ASN A 17 7.095 -7.045 -2.861 1.00 0.00 C ATOM 201 C ASN A 17 6.924 -8.179 -1.855 1.00 0.00 C ATOM 202 O ASN A 17 7.899 -8.803 -1.437 1.00 0.00 O ATOM 203 CB ASN A 17 7.962 -7.513 -4.031 1.00 0.00 C ATOM 204 CG ASN A 17 9.392 -7.798 -3.614 1.00 0.00 C ATOM 205 OD1 ASN A 17 9.787 -7.520 -2.482 1.00 0.00 O ATOM 206 ND2 ASN A 17 10.175 -8.356 -4.530 1.00 0.00 N ATOM 0 H ASN A 17 8.516 -5.511 -2.703 1.00 0.00 H new ATOM 0 HA ASN A 17 6.111 -6.764 -3.236 1.00 0.00 H new ATOM 0 HB2 ASN A 17 7.527 -8.413 -4.465 1.00 0.00 H new ATOM 0 HB3 ASN A 17 7.959 -6.750 -4.810 1.00 0.00 H new ATOM 0 HD21 ASN A 17 11.147 -8.571 -4.307 1.00 0.00 H new ATOM 0 HD22 ASN A 17 9.805 -8.569 -5.456 1.00 0.00 H new ATOM 213 N GLN A 18 5.678 -8.441 -1.473 1.00 0.00 N ATOM 214 CA GLN A 18 5.379 -9.500 -0.517 1.00 0.00 C ATOM 215 C GLN A 18 4.439 -10.535 -1.127 1.00 0.00 C ATOM 216 O GLN A 18 3.696 -10.240 -2.064 1.00 0.00 O ATOM 217 CB GLN A 18 4.756 -8.912 0.750 1.00 0.00 C ATOM 218 CG GLN A 18 3.855 -7.716 0.486 1.00 0.00 C ATOM 219 CD GLN A 18 3.419 -7.021 1.760 1.00 0.00 C ATOM 220 OE1 GLN A 18 3.140 -7.668 2.770 1.00 0.00 O ATOM 221 NE2 GLN A 18 3.359 -5.695 1.721 1.00 0.00 N ATOM 0 H GLN A 18 4.860 -7.934 -1.811 1.00 0.00 H new ATOM 0 HA GLN A 18 6.315 -9.995 -0.257 1.00 0.00 H new ATOM 0 HB2 GLN A 18 4.179 -9.687 1.254 1.00 0.00 H new ATOM 0 HB3 GLN A 18 5.552 -8.613 1.432 1.00 0.00 H new ATOM 0 HG2 GLN A 18 4.380 -7.004 -0.150 1.00 0.00 H new ATOM 0 HG3 GLN A 18 2.973 -8.045 -0.064 1.00 0.00 H new ATOM 0 HE21 GLN A 18 3.599 -5.199 0.863 1.00 0.00 H new ATOM 0 HE22 GLN A 18 3.073 -5.173 2.549 1.00 0.00 H new ATOM 230 N THR A 19 4.477 -11.751 -0.590 1.00 0.00 N ATOM 231 CA THR A 19 3.631 -12.830 -1.083 1.00 0.00 C ATOM 232 C THR A 19 2.770 -13.408 0.035 1.00 0.00 C ATOM 233 O THR A 19 3.268 -14.110 0.917 1.00 0.00 O ATOM 234 CB THR A 19 4.469 -13.962 -1.707 1.00 0.00 C ATOM 235 OG1 THR A 19 5.119 -13.493 -2.893 1.00 0.00 O ATOM 236 CG2 THR A 19 3.595 -15.161 -2.041 1.00 0.00 C ATOM 0 H THR A 19 5.085 -12.013 0.186 1.00 0.00 H new ATOM 0 HA THR A 19 2.987 -12.400 -1.850 1.00 0.00 H new ATOM 0 HB THR A 19 5.220 -14.272 -0.980 1.00 0.00 H new ATOM 0 HG1 THR A 19 5.651 -14.218 -3.283 1.00 0.00 H new ATOM 0 HG21 THR A 19 4.209 -15.947 -2.480 1.00 0.00 H new ATOM 0 HG22 THR A 19 3.125 -15.533 -1.131 1.00 0.00 H new ATOM 0 HG23 THR A 19 2.824 -14.863 -2.752 1.00 0.00 H new ATOM 244 N LEU A 20 1.476 -13.109 -0.006 1.00 0.00 N ATOM 245 CA LEU A 20 0.545 -13.600 1.004 1.00 0.00 C ATOM 246 C LEU A 20 -0.469 -14.559 0.390 1.00 0.00 C ATOM 247 O LEU A 20 -0.534 -14.712 -0.830 1.00 0.00 O ATOM 248 CB LEU A 20 -0.181 -12.429 1.669 1.00 0.00 C ATOM 249 CG LEU A 20 0.701 -11.268 2.131 1.00 0.00 C ATOM 250 CD1 LEU A 20 -0.135 -10.017 2.348 1.00 0.00 C ATOM 251 CD2 LEU A 20 1.448 -11.640 3.403 1.00 0.00 C ATOM 0 H LEU A 20 1.048 -12.529 -0.728 1.00 0.00 H new ATOM 0 HA LEU A 20 1.117 -14.140 1.758 1.00 0.00 H new ATOM 0 HB2 LEU A 20 -0.920 -12.041 0.969 1.00 0.00 H new ATOM 0 HB3 LEU A 20 -0.728 -12.809 2.532 1.00 0.00 H new ATOM 0 HG LEU A 20 1.433 -11.060 1.351 1.00 0.00 H new ATOM 0 HD11 LEU A 20 0.509 -9.201 2.676 1.00 0.00 H new ATOM 0 HD12 LEU A 20 -0.624 -9.740 1.414 1.00 0.00 H new ATOM 0 HD13 LEU A 20 -0.890 -10.212 3.109 1.00 0.00 H new ATOM 0 HD21 LEU A 20 2.071 -10.802 3.717 1.00 0.00 H new ATOM 0 HD22 LEU A 20 0.732 -11.875 4.190 1.00 0.00 H new ATOM 0 HD23 LEU A 20 2.078 -12.509 3.214 1.00 0.00 H new ATOM 263 N ALA A 21 -1.260 -15.201 1.243 1.00 0.00 N ATOM 264 CA ALA A 21 -2.275 -16.142 0.783 1.00 0.00 C ATOM 265 C ALA A 21 -3.622 -15.451 0.601 1.00 0.00 C ATOM 266 O ALA A 21 -3.908 -14.445 1.250 1.00 0.00 O ATOM 267 CB ALA A 21 -2.402 -17.301 1.762 1.00 0.00 C ATOM 0 H ALA A 21 -1.218 -15.087 2.256 1.00 0.00 H new ATOM 0 HA ALA A 21 -1.962 -16.531 -0.186 1.00 0.00 H new ATOM 0 HB1 ALA A 21 -3.163 -17.996 1.407 1.00 0.00 H new ATOM 0 HB2 ALA A 21 -1.446 -17.818 1.839 1.00 0.00 H new ATOM 0 HB3 ALA A 21 -2.688 -16.920 2.742 1.00 0.00 H new ATOM 273 N VAL A 22 -4.446 -15.997 -0.288 1.00 0.00 N ATOM 274 CA VAL A 22 -5.764 -15.434 -0.556 1.00 0.00 C ATOM 275 C VAL A 22 -6.653 -15.504 0.681 1.00 0.00 C ATOM 276 O VAL A 22 -6.377 -16.257 1.615 1.00 0.00 O ATOM 277 CB VAL A 22 -6.461 -16.164 -1.718 1.00 0.00 C ATOM 278 CG1 VAL A 22 -6.586 -17.650 -1.417 1.00 0.00 C ATOM 279 CG2 VAL A 22 -7.826 -15.551 -1.990 1.00 0.00 C ATOM 0 H VAL A 22 -4.224 -16.829 -0.835 1.00 0.00 H new ATOM 0 HA VAL A 22 -5.612 -14.391 -0.832 1.00 0.00 H new ATOM 0 HB VAL A 22 -5.851 -16.049 -2.614 1.00 0.00 H new ATOM 0 HG11 VAL A 22 -7.081 -18.150 -2.250 1.00 0.00 H new ATOM 0 HG12 VAL A 22 -5.593 -18.077 -1.276 1.00 0.00 H new ATOM 0 HG13 VAL A 22 -7.173 -17.789 -0.509 1.00 0.00 H new ATOM 0 HG21 VAL A 22 -8.304 -16.080 -2.815 1.00 0.00 H new ATOM 0 HG22 VAL A 22 -8.446 -15.634 -1.098 1.00 0.00 H new ATOM 0 HG23 VAL A 22 -7.707 -14.500 -2.253 1.00 0.00 H new ATOM 289 N ASP A 23 -7.722 -14.715 0.679 1.00 0.00 N ATOM 290 CA ASP A 23 -8.654 -14.688 1.801 1.00 0.00 C ATOM 291 C ASP A 23 -7.944 -14.278 3.087 1.00 0.00 C ATOM 292 O ASP A 23 -8.305 -14.723 4.176 1.00 0.00 O ATOM 293 CB ASP A 23 -9.309 -16.058 1.979 1.00 0.00 C ATOM 294 CG ASP A 23 -10.595 -15.985 2.780 1.00 0.00 C ATOM 295 OD1 ASP A 23 -11.573 -15.393 2.279 1.00 0.00 O ATOM 296 OD2 ASP A 23 -10.622 -16.519 3.909 1.00 0.00 O ATOM 0 H ASP A 23 -7.965 -14.086 -0.086 1.00 0.00 H new ATOM 0 HA ASP A 23 -9.426 -13.950 1.583 1.00 0.00 H new ATOM 0 HB2 ASP A 23 -9.518 -16.488 0.999 1.00 0.00 H new ATOM 0 HB3 ASP A 23 -8.611 -16.729 2.479 1.00 0.00 H new ATOM 301 N GLY A 24 -6.932 -13.427 2.954 1.00 0.00 N ATOM 302 CA GLY A 24 -6.187 -12.972 4.113 1.00 0.00 C ATOM 303 C GLY A 24 -6.215 -11.464 4.265 1.00 0.00 C ATOM 304 O GLY A 24 -7.055 -10.787 3.671 1.00 0.00 O ATOM 0 H GLY A 24 -6.614 -13.044 2.064 1.00 0.00 H new ATOM 0 HA2 GLY A 24 -6.600 -13.432 5.010 1.00 0.00 H new ATOM 0 HA3 GLY A 24 -5.153 -13.307 4.031 1.00 0.00 H new ATOM 308 N THR A 25 -5.295 -10.934 5.066 1.00 0.00 N ATOM 309 CA THR A 25 -5.219 -9.497 5.297 1.00 0.00 C ATOM 310 C THR A 25 -3.876 -8.937 4.842 1.00 0.00 C ATOM 311 O THR A 25 -2.824 -9.354 5.325 1.00 0.00 O ATOM 312 CB THR A 25 -5.427 -9.156 6.785 1.00 0.00 C ATOM 313 OG1 THR A 25 -6.536 -9.897 7.307 1.00 0.00 O ATOM 314 CG2 THR A 25 -5.675 -7.666 6.969 1.00 0.00 C ATOM 0 H THR A 25 -4.592 -11.479 5.565 1.00 0.00 H new ATOM 0 HA THR A 25 -6.017 -9.040 4.712 1.00 0.00 H new ATOM 0 HB THR A 25 -4.521 -9.428 7.327 1.00 0.00 H new ATOM 0 HG1 THR A 25 -6.661 -9.676 8.254 1.00 0.00 H new ATOM 0 HG21 THR A 25 -5.819 -7.449 8.027 1.00 0.00 H new ATOM 0 HG22 THR A 25 -4.817 -7.106 6.597 1.00 0.00 H new ATOM 0 HG23 THR A 25 -6.567 -7.374 6.414 1.00 0.00 H new ATOM 322 N ALA A 26 -3.920 -7.991 3.911 1.00 0.00 N ATOM 323 CA ALA A 26 -2.706 -7.372 3.393 1.00 0.00 C ATOM 324 C ALA A 26 -2.461 -6.015 4.045 1.00 0.00 C ATOM 325 O ALA A 26 -3.234 -5.075 3.856 1.00 0.00 O ATOM 326 CB ALA A 26 -2.792 -7.225 1.881 1.00 0.00 C ATOM 0 H ALA A 26 -4.783 -7.636 3.500 1.00 0.00 H new ATOM 0 HA ALA A 26 -1.865 -8.021 3.637 1.00 0.00 H new ATOM 0 HB1 ALA A 26 -1.879 -6.761 1.508 1.00 0.00 H new ATOM 0 HB2 ALA A 26 -2.912 -8.208 1.426 1.00 0.00 H new ATOM 0 HB3 ALA A 26 -3.647 -6.600 1.624 1.00 0.00 H new ATOM 332 N LEU A 27 -1.381 -5.919 4.812 1.00 0.00 N ATOM 333 CA LEU A 27 -1.033 -4.677 5.493 1.00 0.00 C ATOM 334 C LEU A 27 0.232 -4.065 4.898 1.00 0.00 C ATOM 335 O LEU A 27 1.336 -4.566 5.113 1.00 0.00 O ATOM 336 CB LEU A 27 -0.837 -4.929 6.988 1.00 0.00 C ATOM 337 CG LEU A 27 -2.099 -4.873 7.850 1.00 0.00 C ATOM 338 CD1 LEU A 27 -2.790 -3.527 7.698 1.00 0.00 C ATOM 339 CD2 LEU A 27 -3.047 -6.005 7.482 1.00 0.00 C ATOM 0 H LEU A 27 -0.731 -6.687 4.978 1.00 0.00 H new ATOM 0 HA LEU A 27 -1.854 -3.974 5.355 1.00 0.00 H new ATOM 0 HB2 LEU A 27 -0.379 -5.910 7.114 1.00 0.00 H new ATOM 0 HB3 LEU A 27 -0.128 -4.195 7.370 1.00 0.00 H new ATOM 0 HG LEU A 27 -1.808 -4.994 8.894 1.00 0.00 H new ATOM 0 HD11 LEU A 27 -3.686 -3.506 8.319 1.00 0.00 H new ATOM 0 HD12 LEU A 27 -2.112 -2.733 8.011 1.00 0.00 H new ATOM 0 HD13 LEU A 27 -3.068 -3.376 6.655 1.00 0.00 H new ATOM 0 HD21 LEU A 27 -3.939 -5.949 8.105 1.00 0.00 H new ATOM 0 HD22 LEU A 27 -3.331 -5.916 6.433 1.00 0.00 H new ATOM 0 HD23 LEU A 27 -2.551 -6.962 7.643 1.00 0.00 H new ATOM 351 N LEU A 28 0.063 -2.980 4.152 1.00 0.00 N ATOM 352 CA LEU A 28 1.192 -2.297 3.528 1.00 0.00 C ATOM 353 C LEU A 28 1.720 -1.185 4.428 1.00 0.00 C ATOM 354 O LEU A 28 0.950 -0.394 4.974 1.00 0.00 O ATOM 355 CB LEU A 28 0.778 -1.720 2.173 1.00 0.00 C ATOM 356 CG LEU A 28 0.567 -2.734 1.048 1.00 0.00 C ATOM 357 CD1 LEU A 28 -0.766 -3.448 1.216 1.00 0.00 C ATOM 358 CD2 LEU A 28 0.639 -2.048 -0.308 1.00 0.00 C ATOM 0 H LEU A 28 -0.844 -2.554 3.964 1.00 0.00 H new ATOM 0 HA LEU A 28 1.988 -3.026 3.377 1.00 0.00 H new ATOM 0 HB2 LEU A 28 -0.147 -1.158 2.307 1.00 0.00 H new ATOM 0 HB3 LEU A 28 1.540 -1.008 1.855 1.00 0.00 H new ATOM 0 HG LEU A 28 1.363 -3.477 1.100 1.00 0.00 H new ATOM 0 HD11 LEU A 28 -0.899 -4.166 0.406 1.00 0.00 H new ATOM 0 HD12 LEU A 28 -0.780 -3.972 2.172 1.00 0.00 H new ATOM 0 HD13 LEU A 28 -1.575 -2.718 1.191 1.00 0.00 H new ATOM 0 HD21 LEU A 28 0.487 -2.785 -1.097 1.00 0.00 H new ATOM 0 HD22 LEU A 28 -0.136 -1.284 -0.371 1.00 0.00 H new ATOM 0 HD23 LEU A 28 1.618 -1.584 -0.429 1.00 0.00 H new ATOM 370 N LYS A 29 3.039 -1.127 4.575 1.00 0.00 N ATOM 371 CA LYS A 29 3.673 -0.110 5.405 1.00 0.00 C ATOM 372 C LYS A 29 4.262 1.004 4.546 1.00 0.00 C ATOM 373 O LYS A 29 4.852 0.746 3.496 1.00 0.00 O ATOM 374 CB LYS A 29 4.770 -0.737 6.269 1.00 0.00 C ATOM 375 CG LYS A 29 4.237 -1.528 7.450 1.00 0.00 C ATOM 376 CD LYS A 29 3.703 -2.884 7.018 1.00 0.00 C ATOM 377 CE LYS A 29 3.156 -3.670 8.199 1.00 0.00 C ATOM 378 NZ LYS A 29 4.246 -4.206 9.061 1.00 0.00 N ATOM 0 H LYS A 29 3.690 -1.773 4.130 1.00 0.00 H new ATOM 0 HA LYS A 29 2.910 0.320 6.054 1.00 0.00 H new ATOM 0 HB2 LYS A 29 5.379 -1.394 5.648 1.00 0.00 H new ATOM 0 HB3 LYS A 29 5.426 0.052 6.637 1.00 0.00 H new ATOM 0 HG2 LYS A 29 5.030 -1.666 8.185 1.00 0.00 H new ATOM 0 HG3 LYS A 29 3.444 -0.963 7.939 1.00 0.00 H new ATOM 0 HD2 LYS A 29 2.917 -2.747 6.276 1.00 0.00 H new ATOM 0 HD3 LYS A 29 4.499 -3.453 6.538 1.00 0.00 H new ATOM 0 HE2 LYS A 29 2.506 -3.028 8.793 1.00 0.00 H new ATOM 0 HE3 LYS A 29 2.543 -4.494 7.834 1.00 0.00 H new ATOM 0 HZ1 LYS A 29 3.832 -4.735 9.855 1.00 0.00 H new ATOM 0 HZ2 LYS A 29 4.852 -4.839 8.501 1.00 0.00 H new ATOM 0 HZ3 LYS A 29 4.816 -3.418 9.430 1.00 0.00 H new ATOM 392 N CYS A 30 4.100 2.243 4.998 1.00 0.00 N ATOM 393 CA CYS A 30 4.616 3.397 4.271 1.00 0.00 C ATOM 394 C CYS A 30 4.717 4.615 5.185 1.00 0.00 C ATOM 395 O CYS A 30 3.706 5.198 5.576 1.00 0.00 O ATOM 396 CB CYS A 30 3.717 3.716 3.075 1.00 0.00 C ATOM 397 SG CYS A 30 4.574 4.556 1.705 1.00 0.00 S ATOM 0 H CYS A 30 3.615 2.474 5.865 1.00 0.00 H new ATOM 0 HA CYS A 30 5.615 3.151 3.911 1.00 0.00 H new ATOM 0 HB2 CYS A 30 3.282 2.788 2.703 1.00 0.00 H new ATOM 0 HB3 CYS A 30 2.891 4.343 3.412 1.00 0.00 H new ATOM 402 N LYS A 31 5.945 4.994 5.523 1.00 0.00 N ATOM 403 CA LYS A 31 6.181 6.143 6.389 1.00 0.00 C ATOM 404 C LYS A 31 6.948 7.234 5.649 1.00 0.00 C ATOM 405 O LYS A 31 8.116 7.059 5.303 1.00 0.00 O ATOM 406 CB LYS A 31 6.957 5.715 7.637 1.00 0.00 C ATOM 407 CG LYS A 31 7.361 6.877 8.529 1.00 0.00 C ATOM 408 CD LYS A 31 7.605 6.423 9.958 1.00 0.00 C ATOM 409 CE LYS A 31 8.977 5.786 10.115 1.00 0.00 C ATOM 410 NZ LYS A 31 9.236 5.365 11.520 1.00 0.00 N ATOM 0 H LYS A 31 6.793 4.521 5.210 1.00 0.00 H new ATOM 0 HA LYS A 31 5.214 6.545 6.690 1.00 0.00 H new ATOM 0 HB2 LYS A 31 6.347 5.020 8.214 1.00 0.00 H new ATOM 0 HB3 LYS A 31 7.852 5.174 7.330 1.00 0.00 H new ATOM 0 HG2 LYS A 31 8.264 7.343 8.135 1.00 0.00 H new ATOM 0 HG3 LYS A 31 6.579 7.636 8.516 1.00 0.00 H new ATOM 0 HD2 LYS A 31 7.520 7.276 10.631 1.00 0.00 H new ATOM 0 HD3 LYS A 31 6.836 5.708 10.250 1.00 0.00 H new ATOM 0 HE2 LYS A 31 9.053 4.921 9.457 1.00 0.00 H new ATOM 0 HE3 LYS A 31 9.744 6.494 9.801 1.00 0.00 H new ATOM 0 HZ1 LYS A 31 10.181 4.936 11.585 1.00 0.00 H new ATOM 0 HZ2 LYS A 31 9.189 6.195 12.145 1.00 0.00 H new ATOM 0 HZ3 LYS A 31 8.519 4.670 11.812 1.00 0.00 H new ATOM 424 N ALA A 32 6.284 8.360 5.411 1.00 0.00 N ATOM 425 CA ALA A 32 6.905 9.481 4.716 1.00 0.00 C ATOM 426 C ALA A 32 7.003 10.703 5.622 1.00 0.00 C ATOM 427 O ALA A 32 6.166 10.906 6.502 1.00 0.00 O ATOM 428 CB ALA A 32 6.123 9.818 3.455 1.00 0.00 C ATOM 0 H ALA A 32 5.316 8.520 5.689 1.00 0.00 H new ATOM 0 HA ALA A 32 7.917 9.187 4.436 1.00 0.00 H new ATOM 0 HB1 ALA A 32 6.598 10.657 2.946 1.00 0.00 H new ATOM 0 HB2 ALA A 32 6.109 8.952 2.793 1.00 0.00 H new ATOM 0 HB3 ALA A 32 5.101 10.087 3.722 1.00 0.00 H new ATOM 434 N THR A 33 8.031 11.516 5.402 1.00 0.00 N ATOM 435 CA THR A 33 8.240 12.718 6.200 1.00 0.00 C ATOM 436 C THR A 33 8.308 13.959 5.318 1.00 0.00 C ATOM 437 O THR A 33 8.967 13.959 4.280 1.00 0.00 O ATOM 438 CB THR A 33 9.533 12.622 7.032 1.00 0.00 C ATOM 439 OG1 THR A 33 9.818 13.886 7.642 1.00 0.00 O ATOM 440 CG2 THR A 33 10.706 12.196 6.163 1.00 0.00 C ATOM 0 H THR A 33 8.732 11.364 4.677 1.00 0.00 H new ATOM 0 HA THR A 33 7.388 12.801 6.874 1.00 0.00 H new ATOM 0 HB THR A 33 9.385 11.870 7.807 1.00 0.00 H new ATOM 0 HG1 THR A 33 10.640 13.816 8.170 1.00 0.00 H new ATOM 0 HG21 THR A 33 11.607 12.135 6.773 1.00 0.00 H new ATOM 0 HG22 THR A 33 10.498 11.220 5.724 1.00 0.00 H new ATOM 0 HG23 THR A 33 10.854 12.927 5.368 1.00 0.00 H new ATOM 448 N GLY A 34 7.622 15.017 5.739 1.00 0.00 N ATOM 449 CA GLY A 34 7.618 16.251 4.975 1.00 0.00 C ATOM 450 C GLY A 34 6.678 17.289 5.555 1.00 0.00 C ATOM 451 O GLY A 34 5.845 16.976 6.405 1.00 0.00 O ATOM 0 H GLY A 34 7.069 15.042 6.596 1.00 0.00 H new ATOM 0 HA2 GLY A 34 8.629 16.658 4.943 1.00 0.00 H new ATOM 0 HA3 GLY A 34 7.328 16.037 3.946 1.00 0.00 H new ATOM 455 N ASP A 35 6.812 18.528 5.096 1.00 0.00 N ATOM 456 CA ASP A 35 5.969 19.617 5.575 1.00 0.00 C ATOM 457 C ASP A 35 5.579 20.547 4.430 1.00 0.00 C ATOM 458 O ASP A 35 6.428 21.116 3.743 1.00 0.00 O ATOM 459 CB ASP A 35 6.690 20.408 6.667 1.00 0.00 C ATOM 460 CG ASP A 35 5.762 21.346 7.412 1.00 0.00 C ATOM 461 OD1 ASP A 35 5.145 20.906 8.405 1.00 0.00 O ATOM 462 OD2 ASP A 35 5.652 22.520 7.003 1.00 0.00 O ATOM 0 H ASP A 35 7.497 18.804 4.392 1.00 0.00 H new ATOM 0 HA ASP A 35 5.061 19.182 5.992 1.00 0.00 H new ATOM 0 HB2 ASP A 35 7.144 19.714 7.374 1.00 0.00 H new ATOM 0 HB3 ASP A 35 7.500 20.983 6.220 1.00 0.00 H new ATOM 467 N PRO A 36 4.264 20.704 4.216 1.00 0.00 N ATOM 468 CA PRO A 36 3.244 20.030 5.026 1.00 0.00 C ATOM 469 C PRO A 36 3.205 18.527 4.775 1.00 0.00 C ATOM 470 O PRO A 36 3.521 18.061 3.679 1.00 0.00 O ATOM 471 CB PRO A 36 1.938 20.684 4.567 1.00 0.00 C ATOM 472 CG PRO A 36 2.219 21.161 3.184 1.00 0.00 C ATOM 473 CD PRO A 36 3.671 21.551 3.167 1.00 0.00 C ATOM 0 HA PRO A 36 3.436 20.134 6.094 1.00 0.00 H new ATOM 0 HB2 PRO A 36 1.113 19.972 4.580 1.00 0.00 H new ATOM 0 HB3 PRO A 36 1.657 21.509 5.221 1.00 0.00 H new ATOM 0 HG2 PRO A 36 2.017 20.378 2.453 1.00 0.00 H new ATOM 0 HG3 PRO A 36 1.584 22.009 2.927 1.00 0.00 H new ATOM 0 HD2 PRO A 36 4.126 21.364 2.194 1.00 0.00 H new ATOM 0 HD3 PRO A 36 3.805 22.611 3.383 1.00 0.00 H new ATOM 481 N LEU A 37 2.815 17.772 5.796 1.00 0.00 N ATOM 482 CA LEU A 37 2.733 16.319 5.686 1.00 0.00 C ATOM 483 C LEU A 37 2.168 15.907 4.330 1.00 0.00 C ATOM 484 O LEU A 37 1.163 16.441 3.860 1.00 0.00 O ATOM 485 CB LEU A 37 1.863 15.751 6.808 1.00 0.00 C ATOM 486 CG LEU A 37 2.214 14.340 7.281 1.00 0.00 C ATOM 487 CD1 LEU A 37 1.793 14.142 8.729 1.00 0.00 C ATOM 488 CD2 LEU A 37 1.560 13.298 6.386 1.00 0.00 C ATOM 0 H LEU A 37 2.551 18.141 6.709 1.00 0.00 H new ATOM 0 HA LEU A 37 3.741 15.915 5.777 1.00 0.00 H new ATOM 0 HB2 LEU A 37 1.923 16.424 7.663 1.00 0.00 H new ATOM 0 HB3 LEU A 37 0.826 15.753 6.473 1.00 0.00 H new ATOM 0 HG LEU A 37 3.295 14.216 7.218 1.00 0.00 H new ATOM 0 HD11 LEU A 37 2.051 13.132 9.048 1.00 0.00 H new ATOM 0 HD12 LEU A 37 2.310 14.865 9.360 1.00 0.00 H new ATOM 0 HD13 LEU A 37 0.716 14.287 8.818 1.00 0.00 H new ATOM 0 HD21 LEU A 37 1.821 12.300 6.738 1.00 0.00 H new ATOM 0 HD22 LEU A 37 0.477 13.421 6.415 1.00 0.00 H new ATOM 0 HD23 LEU A 37 1.912 13.425 5.362 1.00 0.00 H new ATOM 500 N PRO A 38 2.826 14.931 3.687 1.00 0.00 N ATOM 501 CA PRO A 38 2.406 14.423 2.377 1.00 0.00 C ATOM 502 C PRO A 38 1.106 13.630 2.453 1.00 0.00 C ATOM 503 O PRO A 38 0.663 13.246 3.536 1.00 0.00 O ATOM 504 CB PRO A 38 3.564 13.513 1.962 1.00 0.00 C ATOM 505 CG PRO A 38 4.192 13.089 3.244 1.00 0.00 C ATOM 506 CD PRO A 38 4.031 14.249 4.187 1.00 0.00 C ATOM 0 HA PRO A 38 2.206 15.230 1.672 1.00 0.00 H new ATOM 0 HB2 PRO A 38 3.208 12.654 1.393 1.00 0.00 H new ATOM 0 HB3 PRO A 38 4.276 14.042 1.329 1.00 0.00 H new ATOM 0 HG2 PRO A 38 3.709 12.195 3.639 1.00 0.00 H new ATOM 0 HG3 PRO A 38 5.245 12.845 3.101 1.00 0.00 H new ATOM 0 HD2 PRO A 38 3.905 13.915 5.217 1.00 0.00 H new ATOM 0 HD3 PRO A 38 4.901 14.905 4.169 1.00 0.00 H new ATOM 514 N VAL A 39 0.498 13.386 1.297 1.00 0.00 N ATOM 515 CA VAL A 39 -0.751 12.637 1.232 1.00 0.00 C ATOM 516 C VAL A 39 -0.521 11.231 0.689 1.00 0.00 C ATOM 517 O VAL A 39 -0.536 11.013 -0.523 1.00 0.00 O ATOM 518 CB VAL A 39 -1.790 13.353 0.349 1.00 0.00 C ATOM 519 CG1 VAL A 39 -3.035 12.494 0.186 1.00 0.00 C ATOM 520 CG2 VAL A 39 -2.143 14.711 0.937 1.00 0.00 C ATOM 0 H VAL A 39 0.851 13.697 0.392 1.00 0.00 H new ATOM 0 HA VAL A 39 -1.134 12.572 2.250 1.00 0.00 H new ATOM 0 HB VAL A 39 -1.355 13.511 -0.638 1.00 0.00 H new ATOM 0 HG11 VAL A 39 -3.758 13.016 -0.441 1.00 0.00 H new ATOM 0 HG12 VAL A 39 -2.765 11.548 -0.283 1.00 0.00 H new ATOM 0 HG13 VAL A 39 -3.475 12.302 1.164 1.00 0.00 H new ATOM 0 HG21 VAL A 39 -2.878 15.203 0.300 1.00 0.00 H new ATOM 0 HG22 VAL A 39 -2.559 14.578 1.936 1.00 0.00 H new ATOM 0 HG23 VAL A 39 -1.245 15.326 0.997 1.00 0.00 H new ATOM 530 N ILE A 40 -0.309 10.281 1.593 1.00 0.00 N ATOM 531 CA ILE A 40 -0.077 8.895 1.205 1.00 0.00 C ATOM 532 C ILE A 40 -1.181 8.391 0.282 1.00 0.00 C ATOM 533 O ILE A 40 -2.367 8.511 0.592 1.00 0.00 O ATOM 534 CB ILE A 40 0.009 7.972 2.435 1.00 0.00 C ATOM 535 CG1 ILE A 40 1.082 8.476 3.403 1.00 0.00 C ATOM 536 CG2 ILE A 40 0.304 6.543 2.005 1.00 0.00 C ATOM 537 CD1 ILE A 40 2.489 8.353 2.862 1.00 0.00 C ATOM 0 H ILE A 40 -0.293 10.446 2.600 1.00 0.00 H new ATOM 0 HA ILE A 40 0.876 8.871 0.676 1.00 0.00 H new ATOM 0 HB ILE A 40 -0.952 7.984 2.949 1.00 0.00 H new ATOM 0 HG12 ILE A 40 0.883 9.521 3.641 1.00 0.00 H new ATOM 0 HG13 ILE A 40 1.010 7.917 4.336 1.00 0.00 H new ATOM 0 HG21 ILE A 40 0.362 5.903 2.885 1.00 0.00 H new ATOM 0 HG22 ILE A 40 -0.492 6.188 1.350 1.00 0.00 H new ATOM 0 HG23 ILE A 40 1.254 6.512 1.471 1.00 0.00 H new ATOM 0 HD11 ILE A 40 3.197 8.729 3.601 1.00 0.00 H new ATOM 0 HD12 ILE A 40 2.707 7.306 2.650 1.00 0.00 H new ATOM 0 HD13 ILE A 40 2.578 8.935 1.945 1.00 0.00 H new ATOM 549 N SER A 41 -0.784 7.825 -0.853 1.00 0.00 N ATOM 550 CA SER A 41 -1.740 7.304 -1.823 1.00 0.00 C ATOM 551 C SER A 41 -1.229 6.010 -2.449 1.00 0.00 C ATOM 552 O SER A 41 -0.023 5.816 -2.602 1.00 0.00 O ATOM 553 CB SER A 41 -2.007 8.341 -2.916 1.00 0.00 C ATOM 554 OG SER A 41 -2.910 9.336 -2.466 1.00 0.00 O ATOM 0 H SER A 41 0.193 7.715 -1.124 1.00 0.00 H new ATOM 0 HA SER A 41 -2.671 7.091 -1.299 1.00 0.00 H new ATOM 0 HB2 SER A 41 -1.068 8.807 -3.217 1.00 0.00 H new ATOM 0 HB3 SER A 41 -2.415 7.847 -3.798 1.00 0.00 H new ATOM 0 HG SER A 41 -3.016 9.266 -1.494 1.00 0.00 H new ATOM 560 N TRP A 42 -2.154 5.128 -2.807 1.00 0.00 N ATOM 561 CA TRP A 42 -1.798 3.851 -3.416 1.00 0.00 C ATOM 562 C TRP A 42 -2.420 3.716 -4.802 1.00 0.00 C ATOM 563 O TRP A 42 -3.642 3.763 -4.952 1.00 0.00 O ATOM 564 CB TRP A 42 -2.252 2.693 -2.525 1.00 0.00 C ATOM 565 CG TRP A 42 -1.662 2.737 -1.148 1.00 0.00 C ATOM 566 CD1 TRP A 42 -2.187 3.356 -0.050 1.00 0.00 C ATOM 567 CD2 TRP A 42 -0.432 2.138 -0.723 1.00 0.00 C ATOM 568 NE1 TRP A 42 -1.359 3.179 1.031 1.00 0.00 N ATOM 569 CE2 TRP A 42 -0.276 2.434 0.645 1.00 0.00 C ATOM 570 CE3 TRP A 42 0.550 1.379 -1.365 1.00 0.00 C ATOM 571 CZ2 TRP A 42 0.824 1.998 1.379 1.00 0.00 C ATOM 572 CZ3 TRP A 42 1.641 0.947 -0.635 1.00 0.00 C ATOM 573 CH2 TRP A 42 1.770 1.257 0.726 1.00 0.00 C ATOM 0 H TRP A 42 -3.156 5.273 -2.686 1.00 0.00 H new ATOM 0 HA TRP A 42 -0.714 3.817 -3.520 1.00 0.00 H new ATOM 0 HB2 TRP A 42 -3.339 2.708 -2.447 1.00 0.00 H new ATOM 0 HB3 TRP A 42 -1.979 1.750 -2.999 1.00 0.00 H new ATOM 0 HD1 TRP A 42 -3.117 3.904 -0.034 1.00 0.00 H new ATOM 0 HE1 TRP A 42 -1.524 3.543 1.969 1.00 0.00 H new ATOM 0 HE3 TRP A 42 0.458 1.134 -2.413 1.00 0.00 H new ATOM 0 HZ2 TRP A 42 0.927 2.237 2.427 1.00 0.00 H new ATOM 0 HZ3 TRP A 42 2.407 0.361 -1.121 1.00 0.00 H new ATOM 0 HH2 TRP A 42 2.634 0.904 1.270 1.00 0.00 H new ATOM 584 N LEU A 43 -1.573 3.549 -5.812 1.00 0.00 N ATOM 585 CA LEU A 43 -2.041 3.408 -7.186 1.00 0.00 C ATOM 586 C LEU A 43 -1.957 1.954 -7.643 1.00 0.00 C ATOM 587 O LEU A 43 -0.868 1.402 -7.795 1.00 0.00 O ATOM 588 CB LEU A 43 -1.216 4.296 -8.120 1.00 0.00 C ATOM 589 CG LEU A 43 -1.446 5.802 -7.990 1.00 0.00 C ATOM 590 CD1 LEU A 43 -0.516 6.566 -8.920 1.00 0.00 C ATOM 591 CD2 LEU A 43 -2.899 6.147 -8.282 1.00 0.00 C ATOM 0 H LEU A 43 -0.559 3.508 -5.705 1.00 0.00 H new ATOM 0 HA LEU A 43 -3.084 3.722 -7.223 1.00 0.00 H new ATOM 0 HB2 LEU A 43 -0.160 4.093 -7.943 1.00 0.00 H new ATOM 0 HB3 LEU A 43 -1.428 4.004 -9.148 1.00 0.00 H new ATOM 0 HG LEU A 43 -1.223 6.097 -6.965 1.00 0.00 H new ATOM 0 HD11 LEU A 43 -0.694 7.636 -8.814 1.00 0.00 H new ATOM 0 HD12 LEU A 43 0.519 6.343 -8.663 1.00 0.00 H new ATOM 0 HD13 LEU A 43 -0.706 6.267 -9.951 1.00 0.00 H new ATOM 0 HD21 LEU A 43 -3.044 7.223 -8.185 1.00 0.00 H new ATOM 0 HD22 LEU A 43 -3.150 5.837 -9.297 1.00 0.00 H new ATOM 0 HD23 LEU A 43 -3.545 5.628 -7.574 1.00 0.00 H new ATOM 603 N LYS A 44 -3.115 1.341 -7.861 1.00 0.00 N ATOM 604 CA LYS A 44 -3.175 -0.047 -8.304 1.00 0.00 C ATOM 605 C LYS A 44 -3.313 -0.129 -9.821 1.00 0.00 C ATOM 606 O LYS A 44 -4.375 0.158 -10.372 1.00 0.00 O ATOM 607 CB LYS A 44 -4.347 -0.767 -7.635 1.00 0.00 C ATOM 608 CG LYS A 44 -4.116 -2.256 -7.441 1.00 0.00 C ATOM 609 CD LYS A 44 -4.861 -2.783 -6.226 1.00 0.00 C ATOM 610 CE LYS A 44 -4.556 -4.252 -5.979 1.00 0.00 C ATOM 611 NZ LYS A 44 -5.495 -5.145 -6.713 1.00 0.00 N ATOM 0 H LYS A 44 -4.026 1.784 -7.738 1.00 0.00 H new ATOM 0 HA LYS A 44 -2.244 -0.535 -8.015 1.00 0.00 H new ATOM 0 HB2 LYS A 44 -4.538 -0.308 -6.665 1.00 0.00 H new ATOM 0 HB3 LYS A 44 -5.243 -0.623 -8.238 1.00 0.00 H new ATOM 0 HG2 LYS A 44 -4.442 -2.795 -8.331 1.00 0.00 H new ATOM 0 HG3 LYS A 44 -3.049 -2.448 -7.326 1.00 0.00 H new ATOM 0 HD2 LYS A 44 -4.584 -2.200 -5.347 1.00 0.00 H new ATOM 0 HD3 LYS A 44 -5.933 -2.652 -6.371 1.00 0.00 H new ATOM 0 HE2 LYS A 44 -3.533 -4.467 -6.288 1.00 0.00 H new ATOM 0 HE3 LYS A 44 -4.617 -4.461 -4.911 1.00 0.00 H new ATOM 0 HZ1 LYS A 44 -5.213 -6.136 -6.573 1.00 0.00 H new ATOM 0 HZ2 LYS A 44 -6.460 -5.006 -6.352 1.00 0.00 H new ATOM 0 HZ3 LYS A 44 -5.469 -4.918 -7.727 1.00 0.00 H new ATOM 625 N GLU A 45 -2.234 -0.524 -10.489 1.00 0.00 N ATOM 626 CA GLU A 45 -2.237 -0.643 -11.942 1.00 0.00 C ATOM 627 C GLU A 45 -2.533 0.702 -12.598 1.00 0.00 C ATOM 628 O GLU A 45 -3.171 0.766 -13.648 1.00 0.00 O ATOM 629 CB GLU A 45 -3.270 -1.679 -12.388 1.00 0.00 C ATOM 630 CG GLU A 45 -3.166 -3.002 -11.647 1.00 0.00 C ATOM 631 CD GLU A 45 -4.062 -4.073 -12.237 1.00 0.00 C ATOM 632 OE1 GLU A 45 -4.246 -4.078 -13.472 1.00 0.00 O ATOM 633 OE2 GLU A 45 -4.579 -4.907 -11.464 1.00 0.00 O ATOM 0 H GLU A 45 -1.347 -0.767 -10.047 1.00 0.00 H new ATOM 0 HA GLU A 45 -1.246 -0.970 -12.256 1.00 0.00 H new ATOM 0 HB2 GLU A 45 -4.269 -1.269 -12.243 1.00 0.00 H new ATOM 0 HB3 GLU A 45 -3.152 -1.860 -13.456 1.00 0.00 H new ATOM 0 HG2 GLU A 45 -2.132 -3.346 -11.669 1.00 0.00 H new ATOM 0 HG3 GLU A 45 -3.429 -2.850 -10.600 1.00 0.00 H new ATOM 640 N GLY A 46 -2.064 1.776 -11.970 1.00 0.00 N ATOM 641 CA GLY A 46 -2.289 3.106 -12.506 1.00 0.00 C ATOM 642 C GLY A 46 -3.736 3.542 -12.389 1.00 0.00 C ATOM 643 O GLY A 46 -4.315 4.060 -13.343 1.00 0.00 O ATOM 0 H GLY A 46 -1.532 1.749 -11.100 1.00 0.00 H new ATOM 0 HA2 GLY A 46 -1.654 3.819 -11.979 1.00 0.00 H new ATOM 0 HA3 GLY A 46 -1.990 3.127 -13.554 1.00 0.00 H new ATOM 647 N PHE A 47 -4.322 3.330 -11.215 1.00 0.00 N ATOM 648 CA PHE A 47 -5.712 3.702 -10.977 1.00 0.00 C ATOM 649 C PHE A 47 -5.970 3.917 -9.489 1.00 0.00 C ATOM 650 O PHE A 47 -5.472 3.170 -8.645 1.00 0.00 O ATOM 651 CB PHE A 47 -6.651 2.622 -11.518 1.00 0.00 C ATOM 652 CG PHE A 47 -6.562 2.441 -13.006 1.00 0.00 C ATOM 653 CD1 PHE A 47 -7.057 3.409 -13.866 1.00 0.00 C ATOM 654 CD2 PHE A 47 -5.985 1.303 -13.546 1.00 0.00 C ATOM 655 CE1 PHE A 47 -6.976 3.245 -15.236 1.00 0.00 C ATOM 656 CE2 PHE A 47 -5.901 1.134 -14.915 1.00 0.00 C ATOM 657 CZ PHE A 47 -6.399 2.106 -15.761 1.00 0.00 C ATOM 0 H PHE A 47 -3.856 2.903 -10.414 1.00 0.00 H new ATOM 0 HA PHE A 47 -5.906 4.638 -11.501 1.00 0.00 H new ATOM 0 HB2 PHE A 47 -6.421 1.675 -11.030 1.00 0.00 H new ATOM 0 HB3 PHE A 47 -7.677 2.877 -11.252 1.00 0.00 H new ATOM 0 HD1 PHE A 47 -7.511 4.301 -13.461 1.00 0.00 H new ATOM 0 HD2 PHE A 47 -5.596 0.539 -12.889 1.00 0.00 H new ATOM 0 HE1 PHE A 47 -7.364 4.007 -15.895 1.00 0.00 H new ATOM 0 HE2 PHE A 47 -5.447 0.243 -15.323 1.00 0.00 H new ATOM 0 HZ PHE A 47 -6.337 1.975 -16.831 1.00 0.00 H new ATOM 667 N THR A 48 -6.752 4.944 -9.172 1.00 0.00 N ATOM 668 CA THR A 48 -7.075 5.260 -7.786 1.00 0.00 C ATOM 669 C THR A 48 -7.339 3.993 -6.981 1.00 0.00 C ATOM 670 O THR A 48 -8.106 3.127 -7.400 1.00 0.00 O ATOM 671 CB THR A 48 -8.308 6.180 -7.693 1.00 0.00 C ATOM 672 OG1 THR A 48 -8.538 6.553 -6.329 1.00 0.00 O ATOM 673 CG2 THR A 48 -9.543 5.488 -8.250 1.00 0.00 C ATOM 0 H THR A 48 -7.174 5.572 -9.857 1.00 0.00 H new ATOM 0 HA THR A 48 -6.211 5.778 -7.370 1.00 0.00 H new ATOM 0 HB THR A 48 -8.113 7.073 -8.286 1.00 0.00 H new ATOM 0 HG1 THR A 48 -9.322 7.139 -6.278 1.00 0.00 H new ATOM 0 HG21 THR A 48 -10.400 6.157 -8.174 1.00 0.00 H new ATOM 0 HG22 THR A 48 -9.375 5.231 -9.296 1.00 0.00 H new ATOM 0 HG23 THR A 48 -9.739 4.580 -7.680 1.00 0.00 H new ATOM 681 N PHE A 49 -6.698 3.891 -5.821 1.00 0.00 N ATOM 682 CA PHE A 49 -6.863 2.729 -4.956 1.00 0.00 C ATOM 683 C PHE A 49 -6.404 3.040 -3.534 1.00 0.00 C ATOM 684 O PHE A 49 -5.400 3.717 -3.312 1.00 0.00 O ATOM 685 CB PHE A 49 -6.076 1.539 -5.509 1.00 0.00 C ATOM 686 CG PHE A 49 -6.160 0.312 -4.647 1.00 0.00 C ATOM 687 CD1 PHE A 49 -5.586 0.293 -3.387 1.00 0.00 C ATOM 688 CD2 PHE A 49 -6.815 -0.823 -5.098 1.00 0.00 C ATOM 689 CE1 PHE A 49 -5.661 -0.835 -2.592 1.00 0.00 C ATOM 690 CE2 PHE A 49 -6.894 -1.955 -4.308 1.00 0.00 C ATOM 691 CZ PHE A 49 -6.317 -1.960 -3.053 1.00 0.00 C ATOM 0 H PHE A 49 -6.060 4.599 -5.459 1.00 0.00 H new ATOM 0 HA PHE A 49 -7.923 2.474 -4.930 1.00 0.00 H new ATOM 0 HB2 PHE A 49 -6.448 1.299 -6.505 1.00 0.00 H new ATOM 0 HB3 PHE A 49 -5.030 1.825 -5.619 1.00 0.00 H new ATOM 0 HD1 PHE A 49 -5.073 1.170 -3.021 1.00 0.00 H new ATOM 0 HD2 PHE A 49 -7.269 -0.823 -6.078 1.00 0.00 H new ATOM 0 HE1 PHE A 49 -5.207 -0.837 -1.612 1.00 0.00 H new ATOM 0 HE2 PHE A 49 -7.406 -2.834 -4.672 1.00 0.00 H new ATOM 0 HZ PHE A 49 -6.379 -2.842 -2.433 1.00 0.00 H new ATOM 701 N PRO A 50 -7.158 2.534 -2.546 1.00 0.00 N ATOM 702 CA PRO A 50 -8.355 1.727 -2.798 1.00 0.00 C ATOM 703 C PRO A 50 -9.498 2.551 -3.380 1.00 0.00 C ATOM 704 O PRO A 50 -10.560 2.019 -3.700 1.00 0.00 O ATOM 705 CB PRO A 50 -8.728 1.202 -1.409 1.00 0.00 C ATOM 706 CG PRO A 50 -8.156 2.199 -0.461 1.00 0.00 C ATOM 707 CD PRO A 50 -6.898 2.711 -1.108 1.00 0.00 C ATOM 0 HA PRO A 50 -8.170 0.941 -3.530 1.00 0.00 H new ATOM 0 HB2 PRO A 50 -9.809 1.121 -1.294 1.00 0.00 H new ATOM 0 HB3 PRO A 50 -8.313 0.209 -1.237 1.00 0.00 H new ATOM 0 HG2 PRO A 50 -8.859 3.011 -0.278 1.00 0.00 H new ATOM 0 HG3 PRO A 50 -7.940 1.741 0.504 1.00 0.00 H new ATOM 0 HD2 PRO A 50 -6.714 3.756 -0.858 1.00 0.00 H new ATOM 0 HD3 PRO A 50 -6.022 2.148 -0.786 1.00 0.00 H new ATOM 715 N GLY A 51 -9.273 3.855 -3.514 1.00 0.00 N ATOM 716 CA GLY A 51 -10.294 4.732 -4.057 1.00 0.00 C ATOM 717 C GLY A 51 -11.513 4.828 -3.162 1.00 0.00 C ATOM 718 O GLY A 51 -11.523 5.589 -2.194 1.00 0.00 O ATOM 0 H GLY A 51 -8.402 4.319 -3.256 1.00 0.00 H new ATOM 0 HA2 GLY A 51 -9.874 5.727 -4.201 1.00 0.00 H new ATOM 0 HA3 GLY A 51 -10.596 4.368 -5.039 1.00 0.00 H new ATOM 772 N ARG A 55 -14.184 -2.549 2.360 1.00 0.00 N ATOM 773 CA ARG A 55 -13.242 -3.606 2.708 1.00 0.00 C ATOM 774 C ARG A 55 -11.823 -3.056 2.811 1.00 0.00 C ATOM 775 O ARG A 55 -11.122 -3.300 3.793 1.00 0.00 O ATOM 776 CB ARG A 55 -13.292 -4.726 1.667 1.00 0.00 C ATOM 777 CG ARG A 55 -14.451 -5.689 1.864 1.00 0.00 C ATOM 778 CD ARG A 55 -14.140 -7.060 1.285 1.00 0.00 C ATOM 779 NE ARG A 55 -13.485 -6.969 -0.017 1.00 0.00 N ATOM 780 CZ ARG A 55 -13.422 -7.976 -0.881 1.00 0.00 C ATOM 781 NH1 ARG A 55 -13.972 -9.145 -0.582 1.00 0.00 N ATOM 782 NH2 ARG A 55 -12.809 -7.815 -2.047 1.00 0.00 N ATOM 0 HA ARG A 55 -13.529 -4.009 3.679 1.00 0.00 H new ATOM 0 HB2 ARG A 55 -13.363 -4.284 0.673 1.00 0.00 H new ATOM 0 HB3 ARG A 55 -12.357 -5.285 1.701 1.00 0.00 H new ATOM 0 HG2 ARG A 55 -14.671 -5.783 2.927 1.00 0.00 H new ATOM 0 HG3 ARG A 55 -15.345 -5.286 1.388 1.00 0.00 H new ATOM 0 HD2 ARG A 55 -13.499 -7.608 1.976 1.00 0.00 H new ATOM 0 HD3 ARG A 55 -15.064 -7.630 1.187 1.00 0.00 H new ATOM 0 HE ARG A 55 -13.052 -6.083 -0.277 1.00 0.00 H new ATOM 0 HH11 ARG A 55 -14.445 -9.272 0.313 1.00 0.00 H new ATOM 0 HH12 ARG A 55 -13.922 -9.917 -1.247 1.00 0.00 H new ATOM 0 HH21 ARG A 55 -12.385 -6.917 -2.281 1.00 0.00 H new ATOM 0 HH22 ARG A 55 -12.761 -8.589 -2.709 1.00 0.00 H new ATOM 796 N ALA A 56 -11.405 -2.313 1.791 1.00 0.00 N ATOM 797 CA ALA A 56 -10.071 -1.727 1.768 1.00 0.00 C ATOM 798 C ALA A 56 -10.055 -0.368 2.459 1.00 0.00 C ATOM 799 O ALA A 56 -11.027 0.385 2.393 1.00 0.00 O ATOM 800 CB ALA A 56 -9.576 -1.598 0.335 1.00 0.00 C ATOM 0 H ALA A 56 -11.972 -2.103 0.969 1.00 0.00 H new ATOM 0 HA ALA A 56 -9.401 -2.391 2.315 1.00 0.00 H new ATOM 0 HB1 ALA A 56 -8.578 -1.159 0.333 1.00 0.00 H new ATOM 0 HB2 ALA A 56 -9.539 -2.584 -0.127 1.00 0.00 H new ATOM 0 HB3 ALA A 56 -10.255 -0.958 -0.228 1.00 0.00 H new ATOM 806 N THR A 57 -8.946 -0.060 3.124 1.00 0.00 N ATOM 807 CA THR A 57 -8.805 1.207 3.830 1.00 0.00 C ATOM 808 C THR A 57 -7.345 1.493 4.159 1.00 0.00 C ATOM 809 O THR A 57 -6.508 0.590 4.148 1.00 0.00 O ATOM 810 CB THR A 57 -9.626 1.219 5.134 1.00 0.00 C ATOM 811 OG1 THR A 57 -9.777 2.562 5.605 1.00 0.00 O ATOM 812 CG2 THR A 57 -8.953 0.373 6.204 1.00 0.00 C ATOM 0 H THR A 57 -8.132 -0.671 3.188 1.00 0.00 H new ATOM 0 HA THR A 57 -9.183 1.983 3.165 1.00 0.00 H new ATOM 0 HB THR A 57 -10.608 0.796 4.924 1.00 0.00 H new ATOM 0 HG1 THR A 57 -10.301 2.561 6.433 1.00 0.00 H new ATOM 0 HG21 THR A 57 -9.550 0.396 7.115 1.00 0.00 H new ATOM 0 HG22 THR A 57 -8.866 -0.655 5.853 1.00 0.00 H new ATOM 0 HG23 THR A 57 -7.960 0.771 6.411 1.00 0.00 H new ATOM 820 N ILE A 58 -7.045 2.754 4.453 1.00 0.00 N ATOM 821 CA ILE A 58 -5.685 3.158 4.787 1.00 0.00 C ATOM 822 C ILE A 58 -5.562 3.501 6.268 1.00 0.00 C ATOM 823 O ILE A 58 -5.867 4.618 6.683 1.00 0.00 O ATOM 824 CB ILE A 58 -5.237 4.372 3.952 1.00 0.00 C ATOM 825 CG1 ILE A 58 -5.309 4.046 2.459 1.00 0.00 C ATOM 826 CG2 ILE A 58 -3.827 4.791 4.341 1.00 0.00 C ATOM 827 CD1 ILE A 58 -5.196 5.263 1.568 1.00 0.00 C ATOM 0 H ILE A 58 -7.726 3.513 4.467 1.00 0.00 H new ATOM 0 HA ILE A 58 -5.039 2.311 4.557 1.00 0.00 H new ATOM 0 HB ILE A 58 -5.911 5.204 4.156 1.00 0.00 H new ATOM 0 HG12 ILE A 58 -4.510 3.348 2.209 1.00 0.00 H new ATOM 0 HG13 ILE A 58 -6.252 3.540 2.251 1.00 0.00 H new ATOM 0 HG21 ILE A 58 -3.524 5.650 3.742 1.00 0.00 H new ATOM 0 HG22 ILE A 58 -3.805 5.059 5.397 1.00 0.00 H new ATOM 0 HG23 ILE A 58 -3.139 3.964 4.163 1.00 0.00 H new ATOM 0 HD11 ILE A 58 -5.255 4.956 0.524 1.00 0.00 H new ATOM 0 HD12 ILE A 58 -6.010 5.953 1.790 1.00 0.00 H new ATOM 0 HD13 ILE A 58 -4.241 5.758 1.747 1.00 0.00 H new ATOM 888 N GLY A 62 -0.485 5.889 6.800 1.00 0.00 N ATOM 889 CA GLY A 62 -0.716 5.346 5.474 1.00 0.00 C ATOM 890 C GLY A 62 -0.553 3.839 5.428 1.00 0.00 C ATOM 891 O GLY A 62 0.101 3.305 4.532 1.00 0.00 O ATOM 0 HA2 GLY A 62 -1.722 5.610 5.147 1.00 0.00 H new ATOM 0 HA3 GLY A 62 -0.021 5.805 4.771 1.00 0.00 H new ATOM 895 N THR A 63 -1.147 3.151 6.398 1.00 0.00 N ATOM 896 CA THR A 63 -1.062 1.698 6.467 1.00 0.00 C ATOM 897 C THR A 63 -2.244 1.044 5.760 1.00 0.00 C ATOM 898 O THR A 63 -3.301 0.837 6.358 1.00 0.00 O ATOM 899 CB THR A 63 -1.015 1.206 7.926 1.00 0.00 C ATOM 900 OG1 THR A 63 0.111 1.780 8.600 1.00 0.00 O ATOM 901 CG2 THR A 63 -0.927 -0.311 7.983 1.00 0.00 C ATOM 0 H THR A 63 -1.692 3.577 7.147 1.00 0.00 H new ATOM 0 HA THR A 63 -0.138 1.412 5.965 1.00 0.00 H new ATOM 0 HB THR A 63 -1.934 1.519 8.422 1.00 0.00 H new ATOM 0 HG1 THR A 63 0.133 1.464 9.527 1.00 0.00 H new ATOM 0 HG21 THR A 63 -0.895 -0.635 9.023 1.00 0.00 H new ATOM 0 HG22 THR A 63 -1.800 -0.745 7.495 1.00 0.00 H new ATOM 0 HG23 THR A 63 -0.023 -0.642 7.472 1.00 0.00 H new ATOM 909 N LEU A 64 -2.059 0.720 4.485 1.00 0.00 N ATOM 910 CA LEU A 64 -3.110 0.088 3.696 1.00 0.00 C ATOM 911 C LEU A 64 -3.523 -1.246 4.309 1.00 0.00 C ATOM 912 O LEU A 64 -2.694 -1.969 4.860 1.00 0.00 O ATOM 913 CB LEU A 64 -2.638 -0.123 2.257 1.00 0.00 C ATOM 914 CG LEU A 64 -3.726 -0.093 1.182 1.00 0.00 C ATOM 915 CD1 LEU A 64 -3.160 0.410 -0.137 1.00 0.00 C ATOM 916 CD2 LEU A 64 -4.342 -1.474 1.008 1.00 0.00 C ATOM 0 H LEU A 64 -1.191 0.885 3.976 1.00 0.00 H new ATOM 0 HA LEU A 64 -3.976 0.750 3.694 1.00 0.00 H new ATOM 0 HB2 LEU A 64 -1.901 0.645 2.021 1.00 0.00 H new ATOM 0 HB3 LEU A 64 -2.126 -1.084 2.201 1.00 0.00 H new ATOM 0 HG LEU A 64 -4.508 0.594 1.504 1.00 0.00 H new ATOM 0 HD11 LEU A 64 -3.949 0.424 -0.889 1.00 0.00 H new ATOM 0 HD12 LEU A 64 -2.767 1.418 -0.004 1.00 0.00 H new ATOM 0 HD13 LEU A 64 -2.358 -0.251 -0.465 1.00 0.00 H new ATOM 0 HD21 LEU A 64 -5.114 -1.434 0.239 1.00 0.00 H new ATOM 0 HD22 LEU A 64 -3.569 -2.182 0.709 1.00 0.00 H new ATOM 0 HD23 LEU A 64 -4.785 -1.796 1.950 1.00 0.00 H new ATOM 928 N GLN A 65 -4.809 -1.566 4.206 1.00 0.00 N ATOM 929 CA GLN A 65 -5.331 -2.815 4.749 1.00 0.00 C ATOM 930 C GLN A 65 -6.456 -3.360 3.875 1.00 0.00 C ATOM 931 O GLN A 65 -7.463 -2.687 3.652 1.00 0.00 O ATOM 932 CB GLN A 65 -5.835 -2.603 6.177 1.00 0.00 C ATOM 933 CG GLN A 65 -6.303 -3.882 6.853 1.00 0.00 C ATOM 934 CD GLN A 65 -7.257 -3.620 8.001 1.00 0.00 C ATOM 935 OE1 GLN A 65 -6.857 -3.606 9.166 1.00 0.00 O ATOM 936 NE2 GLN A 65 -8.528 -3.410 7.679 1.00 0.00 N ATOM 0 H GLN A 65 -5.508 -0.978 3.752 1.00 0.00 H new ATOM 0 HA GLN A 65 -4.520 -3.544 4.762 1.00 0.00 H new ATOM 0 HB2 GLN A 65 -5.038 -2.158 6.772 1.00 0.00 H new ATOM 0 HB3 GLN A 65 -6.658 -1.888 6.161 1.00 0.00 H new ATOM 0 HG2 GLN A 65 -6.793 -4.519 6.117 1.00 0.00 H new ATOM 0 HG3 GLN A 65 -5.437 -4.431 7.223 1.00 0.00 H new ATOM 0 HE21 GLN A 65 -8.816 -3.430 6.701 1.00 0.00 H new ATOM 0 HE22 GLN A 65 -9.216 -3.228 8.410 1.00 0.00 H new ATOM 945 N ILE A 66 -6.278 -4.582 3.384 1.00 0.00 N ATOM 946 CA ILE A 66 -7.279 -5.217 2.536 1.00 0.00 C ATOM 947 C ILE A 66 -7.701 -6.569 3.101 1.00 0.00 C ATOM 948 O ILE A 66 -6.915 -7.516 3.128 1.00 0.00 O ATOM 949 CB ILE A 66 -6.757 -5.413 1.100 1.00 0.00 C ATOM 950 CG1 ILE A 66 -6.038 -4.152 0.618 1.00 0.00 C ATOM 951 CG2 ILE A 66 -7.903 -5.766 0.164 1.00 0.00 C ATOM 952 CD1 ILE A 66 -5.059 -4.407 -0.506 1.00 0.00 C ATOM 0 H ILE A 66 -5.450 -5.152 3.559 1.00 0.00 H new ATOM 0 HA ILE A 66 -8.142 -4.551 2.513 1.00 0.00 H new ATOM 0 HB ILE A 66 -6.044 -6.238 1.098 1.00 0.00 H new ATOM 0 HG12 ILE A 66 -6.779 -3.426 0.285 1.00 0.00 H new ATOM 0 HG13 ILE A 66 -5.506 -3.703 1.457 1.00 0.00 H new ATOM 0 HG21 ILE A 66 -7.519 -5.901 -0.847 1.00 0.00 H new ATOM 0 HG22 ILE A 66 -8.375 -6.689 0.499 1.00 0.00 H new ATOM 0 HG23 ILE A 66 -8.637 -4.961 0.168 1.00 0.00 H new ATOM 0 HD11 ILE A 66 -4.586 -3.469 -0.797 1.00 0.00 H new ATOM 0 HD12 ILE A 66 -4.296 -5.109 -0.171 1.00 0.00 H new ATOM 0 HD13 ILE A 66 -5.588 -4.827 -1.361 1.00 0.00 H new ATOM 964 N LYS A 67 -8.948 -6.653 3.551 1.00 0.00 N ATOM 965 CA LYS A 67 -9.478 -7.889 4.114 1.00 0.00 C ATOM 966 C LYS A 67 -10.196 -8.708 3.046 1.00 0.00 C ATOM 967 O LYS A 67 -10.798 -8.155 2.127 1.00 0.00 O ATOM 968 CB LYS A 67 -10.436 -7.580 5.266 1.00 0.00 C ATOM 969 CG LYS A 67 -9.797 -6.789 6.393 1.00 0.00 C ATOM 970 CD LYS A 67 -10.538 -6.988 7.705 1.00 0.00 C ATOM 971 CE LYS A 67 -10.283 -5.839 8.669 1.00 0.00 C ATOM 972 NZ LYS A 67 -8.960 -5.963 9.342 1.00 0.00 N ATOM 0 H LYS A 67 -9.612 -5.878 3.537 1.00 0.00 H new ATOM 0 HA LYS A 67 -8.641 -8.474 4.494 1.00 0.00 H new ATOM 0 HB2 LYS A 67 -11.288 -7.021 4.879 1.00 0.00 H new ATOM 0 HB3 LYS A 67 -10.824 -8.517 5.666 1.00 0.00 H new ATOM 0 HG2 LYS A 67 -8.758 -7.097 6.511 1.00 0.00 H new ATOM 0 HG3 LYS A 67 -9.789 -5.730 6.136 1.00 0.00 H new ATOM 0 HD2 LYS A 67 -11.607 -7.071 7.511 1.00 0.00 H new ATOM 0 HD3 LYS A 67 -10.223 -7.926 8.163 1.00 0.00 H new ATOM 0 HE2 LYS A 67 -10.328 -4.894 8.128 1.00 0.00 H new ATOM 0 HE3 LYS A 67 -11.072 -5.814 9.421 1.00 0.00 H new ATOM 0 HZ1 LYS A 67 -8.779 -5.112 9.912 1.00 0.00 H new ATOM 0 HZ2 LYS A 67 -8.962 -6.800 9.960 1.00 0.00 H new ATOM 0 HZ3 LYS A 67 -8.214 -6.064 8.625 1.00 0.00 H new ATOM 986 N ASN A 68 -10.131 -10.029 3.177 1.00 0.00 N ATOM 987 CA ASN A 68 -10.776 -10.925 2.223 1.00 0.00 C ATOM 988 C ASN A 68 -10.107 -10.837 0.855 1.00 0.00 C ATOM 989 O ASN A 68 -10.767 -10.602 -0.157 1.00 0.00 O ATOM 990 CB ASN A 68 -12.263 -10.584 2.099 1.00 0.00 C ATOM 991 CG ASN A 68 -12.916 -10.344 3.446 1.00 0.00 C ATOM 992 OD1 ASN A 68 -12.644 -9.344 4.111 1.00 0.00 O ATOM 993 ND2 ASN A 68 -13.782 -11.263 3.856 1.00 0.00 N ATOM 0 H ASN A 68 -9.638 -10.503 3.934 1.00 0.00 H new ATOM 0 HA ASN A 68 -10.672 -11.945 2.593 1.00 0.00 H new ATOM 0 HB2 ASN A 68 -12.378 -9.695 1.479 1.00 0.00 H new ATOM 0 HB3 ASN A 68 -12.778 -11.398 1.589 1.00 0.00 H new ATOM 0 HD21 ASN A 68 -14.252 -11.156 4.755 1.00 0.00 H new ATOM 0 HD22 ASN A 68 -13.977 -12.076 3.272 1.00 0.00 H new ATOM 1000 N LEU A 69 -8.792 -11.027 0.833 1.00 0.00 N ATOM 1001 CA LEU A 69 -8.032 -10.971 -0.411 1.00 0.00 C ATOM 1002 C LEU A 69 -8.653 -11.876 -1.470 1.00 0.00 C ATOM 1003 O LEU A 69 -9.479 -12.735 -1.160 1.00 0.00 O ATOM 1004 CB LEU A 69 -6.579 -11.379 -0.162 1.00 0.00 C ATOM 1005 CG LEU A 69 -5.772 -10.461 0.756 1.00 0.00 C ATOM 1006 CD1 LEU A 69 -4.505 -11.157 1.228 1.00 0.00 C ATOM 1007 CD2 LEU A 69 -5.433 -9.159 0.045 1.00 0.00 C ATOM 0 H LEU A 69 -8.230 -11.221 1.662 1.00 0.00 H new ATOM 0 HA LEU A 69 -8.057 -9.945 -0.778 1.00 0.00 H new ATOM 0 HB2 LEU A 69 -6.572 -12.382 0.264 1.00 0.00 H new ATOM 0 HB3 LEU A 69 -6.069 -11.437 -1.124 1.00 0.00 H new ATOM 0 HG LEU A 69 -6.381 -10.227 1.629 1.00 0.00 H new ATOM 0 HD11 LEU A 69 -3.944 -10.488 1.880 1.00 0.00 H new ATOM 0 HD12 LEU A 69 -4.769 -12.061 1.776 1.00 0.00 H new ATOM 0 HD13 LEU A 69 -3.892 -11.421 0.366 1.00 0.00 H new ATOM 0 HD21 LEU A 69 -4.858 -8.518 0.714 1.00 0.00 H new ATOM 0 HD22 LEU A 69 -4.844 -9.374 -0.847 1.00 0.00 H new ATOM 0 HD23 LEU A 69 -6.354 -8.651 -0.242 1.00 0.00 H new ATOM 1019 N ARG A 70 -8.247 -11.680 -2.720 1.00 0.00 N ATOM 1020 CA ARG A 70 -8.762 -12.480 -3.825 1.00 0.00 C ATOM 1021 C ARG A 70 -7.677 -12.726 -4.870 1.00 0.00 C ATOM 1022 O ARG A 70 -6.917 -11.822 -5.214 1.00 0.00 O ATOM 1023 CB ARG A 70 -9.959 -11.782 -4.473 1.00 0.00 C ATOM 1024 CG ARG A 70 -11.127 -11.569 -3.523 1.00 0.00 C ATOM 1025 CD ARG A 70 -12.359 -11.067 -4.259 1.00 0.00 C ATOM 1026 NE ARG A 70 -13.128 -12.160 -4.849 1.00 0.00 N ATOM 1027 CZ ARG A 70 -14.095 -11.981 -5.742 1.00 0.00 C ATOM 1028 NH1 ARG A 70 -14.410 -10.758 -6.146 1.00 0.00 N ATOM 1029 NH2 ARG A 70 -14.748 -13.026 -6.232 1.00 0.00 N ATOM 0 H ARG A 70 -7.563 -10.974 -2.993 1.00 0.00 H new ATOM 0 HA ARG A 70 -9.083 -13.442 -3.425 1.00 0.00 H new ATOM 0 HB2 ARG A 70 -9.638 -10.816 -4.863 1.00 0.00 H new ATOM 0 HB3 ARG A 70 -10.297 -12.373 -5.324 1.00 0.00 H new ATOM 0 HG2 ARG A 70 -11.361 -12.505 -3.016 1.00 0.00 H new ATOM 0 HG3 ARG A 70 -10.845 -10.852 -2.752 1.00 0.00 H new ATOM 0 HD2 ARG A 70 -12.992 -10.510 -3.568 1.00 0.00 H new ATOM 0 HD3 ARG A 70 -12.055 -10.373 -5.043 1.00 0.00 H new ATOM 0 HE ARG A 70 -12.910 -13.113 -4.559 1.00 0.00 H new ATOM 0 HH11 ARG A 70 -13.909 -9.952 -5.771 1.00 0.00 H new ATOM 0 HH12 ARG A 70 -15.153 -10.623 -6.832 1.00 0.00 H new ATOM 0 HH21 ARG A 70 -14.508 -13.968 -5.923 1.00 0.00 H new ATOM 0 HH22 ARG A 70 -15.490 -12.888 -6.918 1.00 0.00 H new ATOM 1043 N ILE A 71 -7.613 -13.956 -5.369 1.00 0.00 N ATOM 1044 CA ILE A 71 -6.622 -14.321 -6.374 1.00 0.00 C ATOM 1045 C ILE A 71 -6.434 -13.202 -7.392 1.00 0.00 C ATOM 1046 O ILE A 71 -5.355 -13.043 -7.963 1.00 0.00 O ATOM 1047 CB ILE A 71 -7.020 -15.612 -7.114 1.00 0.00 C ATOM 1048 CG1 ILE A 71 -6.949 -16.811 -6.167 1.00 0.00 C ATOM 1049 CG2 ILE A 71 -6.121 -15.828 -8.322 1.00 0.00 C ATOM 1050 CD1 ILE A 71 -5.538 -17.290 -5.904 1.00 0.00 C ATOM 0 H ILE A 71 -8.235 -14.716 -5.094 1.00 0.00 H new ATOM 0 HA ILE A 71 -5.684 -14.489 -5.846 1.00 0.00 H new ATOM 0 HB ILE A 71 -8.047 -15.511 -7.464 1.00 0.00 H new ATOM 0 HG12 ILE A 71 -7.416 -16.543 -5.219 1.00 0.00 H new ATOM 0 HG13 ILE A 71 -7.530 -17.631 -6.588 1.00 0.00 H new ATOM 0 HG21 ILE A 71 -6.414 -16.744 -8.835 1.00 0.00 H new ATOM 0 HG22 ILE A 71 -6.219 -14.983 -9.004 1.00 0.00 H new ATOM 0 HG23 ILE A 71 -5.085 -15.912 -7.994 1.00 0.00 H new ATOM 0 HD11 ILE A 71 -5.564 -18.142 -5.225 1.00 0.00 H new ATOM 0 HD12 ILE A 71 -5.074 -17.589 -6.844 1.00 0.00 H new ATOM 0 HD13 ILE A 71 -4.958 -16.484 -5.454 1.00 0.00 H new ATOM 1062 N SER A 72 -7.491 -12.426 -7.613 1.00 0.00 N ATOM 1063 CA SER A 72 -7.443 -11.322 -8.564 1.00 0.00 C ATOM 1064 C SER A 72 -6.717 -10.121 -7.965 1.00 0.00 C ATOM 1065 O SER A 72 -5.910 -9.474 -8.632 1.00 0.00 O ATOM 1066 CB SER A 72 -8.858 -10.920 -8.983 1.00 0.00 C ATOM 1067 OG SER A 72 -8.829 -9.987 -10.049 1.00 0.00 O ATOM 0 H SER A 72 -8.391 -12.542 -7.146 1.00 0.00 H new ATOM 0 HA SER A 72 -6.893 -11.656 -9.444 1.00 0.00 H new ATOM 0 HB2 SER A 72 -9.416 -11.806 -9.286 1.00 0.00 H new ATOM 0 HB3 SER A 72 -9.384 -10.488 -8.132 1.00 0.00 H new ATOM 0 HG SER A 72 -9.746 -9.747 -10.299 1.00 0.00 H new ATOM 1073 N ASP A 73 -7.011 -9.829 -6.703 1.00 0.00 N ATOM 1074 CA ASP A 73 -6.387 -8.706 -6.013 1.00 0.00 C ATOM 1075 C ASP A 73 -4.922 -8.568 -6.415 1.00 0.00 C ATOM 1076 O ASP A 73 -4.409 -7.458 -6.563 1.00 0.00 O ATOM 1077 CB ASP A 73 -6.498 -8.886 -4.498 1.00 0.00 C ATOM 1078 CG ASP A 73 -7.866 -8.502 -3.969 1.00 0.00 C ATOM 1079 OD1 ASP A 73 -8.750 -8.179 -4.789 1.00 0.00 O ATOM 1080 OD2 ASP A 73 -8.052 -8.523 -2.734 1.00 0.00 O ATOM 0 H ASP A 73 -7.677 -10.354 -6.137 1.00 0.00 H new ATOM 0 HA ASP A 73 -6.912 -7.796 -6.303 1.00 0.00 H new ATOM 0 HB2 ASP A 73 -6.291 -9.925 -4.242 1.00 0.00 H new ATOM 0 HB3 ASP A 73 -5.738 -8.279 -4.006 1.00 0.00 H new ATOM 1085 N THR A 74 -4.251 -9.703 -6.588 1.00 0.00 N ATOM 1086 CA THR A 74 -2.845 -9.709 -6.970 1.00 0.00 C ATOM 1087 C THR A 74 -2.546 -8.611 -7.985 1.00 0.00 C ATOM 1088 O THR A 74 -2.798 -8.770 -9.178 1.00 0.00 O ATOM 1089 CB THR A 74 -2.430 -11.068 -7.564 1.00 0.00 C ATOM 1090 OG1 THR A 74 -2.435 -12.072 -6.542 1.00 0.00 O ATOM 1091 CG2 THR A 74 -1.047 -10.985 -8.192 1.00 0.00 C ATOM 0 H THR A 74 -4.660 -10.630 -6.469 1.00 0.00 H new ATOM 0 HA THR A 74 -2.270 -9.527 -6.062 1.00 0.00 H new ATOM 0 HB THR A 74 -3.149 -11.335 -8.339 1.00 0.00 H new ATOM 0 HG1 THR A 74 -2.172 -12.933 -6.928 1.00 0.00 H new ATOM 0 HG21 THR A 74 -0.776 -11.957 -8.605 1.00 0.00 H new ATOM 0 HG22 THR A 74 -1.053 -10.241 -8.989 1.00 0.00 H new ATOM 0 HG23 THR A 74 -0.319 -10.697 -7.433 1.00 0.00 H new ATOM 1099 N GLY A 75 -2.005 -7.497 -7.502 1.00 0.00 N ATOM 1100 CA GLY A 75 -1.680 -6.389 -8.382 1.00 0.00 C ATOM 1101 C GLY A 75 -0.453 -5.626 -7.924 1.00 0.00 C ATOM 1102 O GLY A 75 0.187 -5.997 -6.939 1.00 0.00 O ATOM 0 H GLY A 75 -1.786 -7.342 -6.518 1.00 0.00 H new ATOM 0 HA2 GLY A 75 -1.514 -6.767 -9.391 1.00 0.00 H new ATOM 0 HA3 GLY A 75 -2.530 -5.708 -8.433 1.00 0.00 H new ATOM 1106 N THR A 76 -0.121 -4.557 -8.641 1.00 0.00 N ATOM 1107 CA THR A 76 1.040 -3.742 -8.305 1.00 0.00 C ATOM 1108 C THR A 76 0.618 -2.368 -7.796 1.00 0.00 C ATOM 1109 O THR A 76 0.076 -1.557 -8.547 1.00 0.00 O ATOM 1110 CB THR A 76 1.971 -3.563 -9.519 1.00 0.00 C ATOM 1111 OG1 THR A 76 2.408 -4.842 -9.993 1.00 0.00 O ATOM 1112 CG2 THR A 76 3.178 -2.712 -9.154 1.00 0.00 C ATOM 0 H THR A 76 -0.640 -4.235 -9.458 1.00 0.00 H new ATOM 0 HA THR A 76 1.579 -4.269 -7.518 1.00 0.00 H new ATOM 0 HB THR A 76 1.413 -3.055 -10.306 1.00 0.00 H new ATOM 0 HG1 THR A 76 2.998 -4.720 -10.766 1.00 0.00 H new ATOM 0 HG21 THR A 76 3.821 -2.599 -10.027 1.00 0.00 H new ATOM 0 HG22 THR A 76 2.843 -1.730 -8.821 1.00 0.00 H new ATOM 0 HG23 THR A 76 3.736 -3.196 -8.353 1.00 0.00 H new ATOM 1120 N TYR A 77 0.871 -2.113 -6.517 1.00 0.00 N ATOM 1121 CA TYR A 77 0.515 -0.837 -5.908 1.00 0.00 C ATOM 1122 C TYR A 77 1.735 0.073 -5.799 1.00 0.00 C ATOM 1123 O TYR A 77 2.875 -0.393 -5.788 1.00 0.00 O ATOM 1124 CB TYR A 77 -0.092 -1.062 -4.522 1.00 0.00 C ATOM 1125 CG TYR A 77 0.553 -2.194 -3.755 1.00 0.00 C ATOM 1126 CD1 TYR A 77 1.915 -2.187 -3.480 1.00 0.00 C ATOM 1127 CD2 TYR A 77 -0.201 -3.271 -3.304 1.00 0.00 C ATOM 1128 CE1 TYR A 77 2.508 -3.220 -2.780 1.00 0.00 C ATOM 1129 CE2 TYR A 77 0.383 -4.308 -2.602 1.00 0.00 C ATOM 1130 CZ TYR A 77 1.738 -4.278 -2.343 1.00 0.00 C ATOM 1131 OH TYR A 77 2.324 -5.308 -1.644 1.00 0.00 O ATOM 0 H TYR A 77 1.321 -2.773 -5.882 1.00 0.00 H new ATOM 0 HA TYR A 77 -0.223 -0.351 -6.547 1.00 0.00 H new ATOM 0 HB2 TYR A 77 -0.002 -0.144 -3.942 1.00 0.00 H new ATOM 0 HB3 TYR A 77 -1.157 -1.268 -4.630 1.00 0.00 H new ATOM 0 HD1 TYR A 77 2.521 -1.360 -3.819 1.00 0.00 H new ATOM 0 HD2 TYR A 77 -1.262 -3.298 -3.506 1.00 0.00 H new ATOM 0 HE1 TYR A 77 3.568 -3.199 -2.576 1.00 0.00 H new ATOM 0 HE2 TYR A 77 -0.218 -5.137 -2.258 1.00 0.00 H new ATOM 0 HH TYR A 77 2.859 -5.856 -2.256 1.00 0.00 H new ATOM 1141 N THR A 78 1.487 1.377 -5.720 1.00 0.00 N ATOM 1142 CA THR A 78 2.562 2.354 -5.613 1.00 0.00 C ATOM 1143 C THR A 78 2.252 3.398 -4.546 1.00 0.00 C ATOM 1144 O THR A 78 1.291 4.158 -4.667 1.00 0.00 O ATOM 1145 CB THR A 78 2.809 3.067 -6.956 1.00 0.00 C ATOM 1146 OG1 THR A 78 3.117 2.105 -7.971 1.00 0.00 O ATOM 1147 CG2 THR A 78 3.949 4.068 -6.836 1.00 0.00 C ATOM 0 H THR A 78 0.550 1.780 -5.728 1.00 0.00 H new ATOM 0 HA THR A 78 3.461 1.805 -5.331 1.00 0.00 H new ATOM 0 HB THR A 78 1.901 3.605 -7.229 1.00 0.00 H new ATOM 0 HG1 THR A 78 3.271 2.566 -8.822 1.00 0.00 H new ATOM 0 HG21 THR A 78 4.105 4.559 -7.797 1.00 0.00 H new ATOM 0 HG22 THR A 78 3.699 4.815 -6.083 1.00 0.00 H new ATOM 0 HG23 THR A 78 4.861 3.548 -6.542 1.00 0.00 H new ATOM 1155 N CYS A 79 3.073 3.432 -3.501 1.00 0.00 N ATOM 1156 CA CYS A 79 2.887 4.383 -2.412 1.00 0.00 C ATOM 1157 C CYS A 79 3.512 5.732 -2.756 1.00 0.00 C ATOM 1158 O CYS A 79 4.733 5.884 -2.746 1.00 0.00 O ATOM 1159 CB CYS A 79 3.501 3.838 -1.121 1.00 0.00 C ATOM 1160 SG CYS A 79 3.135 4.840 0.356 1.00 0.00 S ATOM 0 H CYS A 79 3.874 2.811 -3.386 1.00 0.00 H new ATOM 0 HA CYS A 79 1.816 4.525 -2.265 1.00 0.00 H new ATOM 0 HB2 CYS A 79 3.137 2.823 -0.958 1.00 0.00 H new ATOM 0 HB3 CYS A 79 4.582 3.773 -1.244 1.00 0.00 H new ATOM 1165 N VAL A 80 2.665 6.710 -3.061 1.00 0.00 N ATOM 1166 CA VAL A 80 3.132 8.047 -3.406 1.00 0.00 C ATOM 1167 C VAL A 80 2.691 9.070 -2.366 1.00 0.00 C ATOM 1168 O VAL A 80 1.564 9.023 -1.873 1.00 0.00 O ATOM 1169 CB VAL A 80 2.615 8.482 -4.790 1.00 0.00 C ATOM 1170 CG1 VAL A 80 1.171 8.044 -4.983 1.00 0.00 C ATOM 1171 CG2 VAL A 80 2.750 9.988 -4.959 1.00 0.00 C ATOM 0 H VAL A 80 1.651 6.601 -3.076 1.00 0.00 H new ATOM 0 HA VAL A 80 4.221 8.005 -3.430 1.00 0.00 H new ATOM 0 HB VAL A 80 3.222 7.997 -5.554 1.00 0.00 H new ATOM 0 HG11 VAL A 80 0.823 8.360 -5.966 1.00 0.00 H new ATOM 0 HG12 VAL A 80 1.107 6.959 -4.907 1.00 0.00 H new ATOM 0 HG13 VAL A 80 0.547 8.499 -4.214 1.00 0.00 H new ATOM 0 HG21 VAL A 80 2.380 10.278 -5.942 1.00 0.00 H new ATOM 0 HG22 VAL A 80 2.168 10.494 -4.189 1.00 0.00 H new ATOM 0 HG23 VAL A 80 3.798 10.272 -4.867 1.00 0.00 H new ATOM 1181 N ALA A 81 3.587 9.994 -2.035 1.00 0.00 N ATOM 1182 CA ALA A 81 3.289 11.031 -1.055 1.00 0.00 C ATOM 1183 C ALA A 81 3.455 12.421 -1.658 1.00 0.00 C ATOM 1184 O ALA A 81 4.567 12.941 -1.752 1.00 0.00 O ATOM 1185 CB ALA A 81 4.182 10.874 0.167 1.00 0.00 C ATOM 0 H ALA A 81 4.525 10.045 -2.431 1.00 0.00 H new ATOM 0 HA ALA A 81 2.249 10.919 -0.749 1.00 0.00 H new ATOM 0 HB1 ALA A 81 3.949 11.655 0.891 1.00 0.00 H new ATOM 0 HB2 ALA A 81 4.011 9.897 0.619 1.00 0.00 H new ATOM 0 HB3 ALA A 81 5.227 10.957 -0.133 1.00 0.00 H new ATOM 1191 N THR A 82 2.341 13.020 -2.068 1.00 0.00 N ATOM 1192 CA THR A 82 2.363 14.350 -2.665 1.00 0.00 C ATOM 1193 C THR A 82 2.375 15.434 -1.593 1.00 0.00 C ATOM 1194 O THR A 82 1.844 15.244 -0.498 1.00 0.00 O ATOM 1195 CB THR A 82 1.150 14.572 -3.588 1.00 0.00 C ATOM 1196 OG1 THR A 82 0.987 13.448 -4.460 1.00 0.00 O ATOM 1197 CG2 THR A 82 1.322 15.839 -4.413 1.00 0.00 C ATOM 0 H THR A 82 1.412 12.605 -1.997 1.00 0.00 H new ATOM 0 HA THR A 82 3.277 14.416 -3.255 1.00 0.00 H new ATOM 0 HB THR A 82 0.262 14.681 -2.965 1.00 0.00 H new ATOM 0 HG1 THR A 82 0.213 13.596 -5.043 1.00 0.00 H new ATOM 0 HG21 THR A 82 0.453 15.975 -5.057 1.00 0.00 H new ATOM 0 HG22 THR A 82 1.418 16.697 -3.747 1.00 0.00 H new ATOM 0 HG23 THR A 82 2.219 15.755 -5.027 1.00 0.00 H new ATOM 1205 N SER A 83 2.984 16.571 -1.914 1.00 0.00 N ATOM 1206 CA SER A 83 3.068 17.684 -0.976 1.00 0.00 C ATOM 1207 C SER A 83 3.516 18.959 -1.685 1.00 0.00 C ATOM 1208 O SER A 83 4.131 18.906 -2.750 1.00 0.00 O ATOM 1209 CB SER A 83 4.038 17.350 0.159 1.00 0.00 C ATOM 1210 OG SER A 83 5.384 17.473 -0.268 1.00 0.00 O ATOM 0 H SER A 83 3.426 16.746 -2.816 1.00 0.00 H new ATOM 0 HA SER A 83 2.075 17.851 -0.558 1.00 0.00 H new ATOM 0 HB2 SER A 83 3.859 18.016 1.003 1.00 0.00 H new ATOM 0 HB3 SER A 83 3.856 16.334 0.510 1.00 0.00 H new ATOM 0 HG SER A 83 5.984 17.225 0.466 1.00 0.00 H new ATOM 1216 N SER A 84 3.203 20.103 -1.086 1.00 0.00 N ATOM 1217 CA SER A 84 3.570 21.392 -1.660 1.00 0.00 C ATOM 1218 C SER A 84 5.059 21.437 -1.988 1.00 0.00 C ATOM 1219 O SER A 84 5.486 22.160 -2.888 1.00 0.00 O ATOM 1220 CB SER A 84 3.214 22.524 -0.695 1.00 0.00 C ATOM 1221 OG SER A 84 3.006 23.741 -1.390 1.00 0.00 O ATOM 0 H SER A 84 2.696 20.164 -0.203 1.00 0.00 H new ATOM 0 HA SER A 84 3.008 21.523 -2.585 1.00 0.00 H new ATOM 0 HB2 SER A 84 2.315 22.262 -0.138 1.00 0.00 H new ATOM 0 HB3 SER A 84 4.015 22.650 0.034 1.00 0.00 H new ATOM 0 HG SER A 84 2.778 24.448 -0.751 1.00 0.00 H new ATOM 1227 N SER A 85 5.845 20.658 -1.251 1.00 0.00 N ATOM 1228 CA SER A 85 7.287 20.611 -1.460 1.00 0.00 C ATOM 1229 C SER A 85 7.624 19.886 -2.759 1.00 0.00 C ATOM 1230 O SER A 85 8.134 20.487 -3.705 1.00 0.00 O ATOM 1231 CB SER A 85 7.972 19.916 -0.282 1.00 0.00 C ATOM 1232 OG SER A 85 7.938 20.728 0.879 1.00 0.00 O ATOM 0 H SER A 85 5.507 20.051 -0.504 1.00 0.00 H new ATOM 0 HA SER A 85 7.653 21.635 -1.531 1.00 0.00 H new ATOM 0 HB2 SER A 85 7.478 18.966 -0.079 1.00 0.00 H new ATOM 0 HB3 SER A 85 9.006 19.689 -0.541 1.00 0.00 H new ATOM 0 HG SER A 85 8.381 20.261 1.618 1.00 0.00 H new ATOM 1238 N GLY A 86 7.336 18.589 -2.798 1.00 0.00 N ATOM 1239 CA GLY A 86 7.615 17.802 -3.985 1.00 0.00 C ATOM 1240 C GLY A 86 6.663 16.633 -4.143 1.00 0.00 C ATOM 1241 O GLY A 86 5.461 16.769 -3.916 1.00 0.00 O ATOM 0 H GLY A 86 6.914 18.069 -2.029 1.00 0.00 H new ATOM 0 HA2 GLY A 86 7.549 18.442 -4.865 1.00 0.00 H new ATOM 0 HA3 GLY A 86 8.638 17.429 -3.938 1.00 0.00 H new ATOM 1245 N GLU A 87 7.201 15.482 -4.535 1.00 0.00 N ATOM 1246 CA GLU A 87 6.389 14.286 -4.725 1.00 0.00 C ATOM 1247 C GLU A 87 7.267 13.073 -5.019 1.00 0.00 C ATOM 1248 O GLU A 87 8.244 13.165 -5.763 1.00 0.00 O ATOM 1249 CB GLU A 87 5.391 14.496 -5.866 1.00 0.00 C ATOM 1250 CG GLU A 87 4.725 13.214 -6.336 1.00 0.00 C ATOM 1251 CD GLU A 87 3.874 13.418 -7.574 1.00 0.00 C ATOM 1252 OE1 GLU A 87 3.377 14.546 -7.774 1.00 0.00 O ATOM 1253 OE2 GLU A 87 3.706 12.449 -8.344 1.00 0.00 O ATOM 0 H GLU A 87 8.194 15.353 -4.727 1.00 0.00 H new ATOM 0 HA GLU A 87 5.840 14.100 -3.802 1.00 0.00 H new ATOM 0 HB2 GLU A 87 4.622 15.197 -5.540 1.00 0.00 H new ATOM 0 HB3 GLU A 87 5.907 14.957 -6.708 1.00 0.00 H new ATOM 0 HG2 GLU A 87 5.491 12.467 -6.545 1.00 0.00 H new ATOM 0 HG3 GLU A 87 4.103 12.817 -5.534 1.00 0.00 H new ATOM 1260 N THR A 88 6.912 11.936 -4.429 1.00 0.00 N ATOM 1261 CA THR A 88 7.668 10.705 -4.625 1.00 0.00 C ATOM 1262 C THR A 88 6.740 9.499 -4.712 1.00 0.00 C ATOM 1263 O THR A 88 5.587 9.558 -4.285 1.00 0.00 O ATOM 1264 CB THR A 88 8.680 10.480 -3.486 1.00 0.00 C ATOM 1265 OG1 THR A 88 9.521 9.362 -3.792 1.00 0.00 O ATOM 1266 CG2 THR A 88 7.964 10.236 -2.166 1.00 0.00 C ATOM 0 H THR A 88 6.106 11.842 -3.811 1.00 0.00 H new ATOM 0 HA THR A 88 8.209 10.812 -5.565 1.00 0.00 H new ATOM 0 HB THR A 88 9.290 11.378 -3.389 1.00 0.00 H new ATOM 0 HG1 THR A 88 10.163 9.226 -3.064 1.00 0.00 H new ATOM 0 HG21 THR A 88 8.699 10.080 -1.377 1.00 0.00 H new ATOM 0 HG22 THR A 88 7.347 11.101 -1.921 1.00 0.00 H new ATOM 0 HG23 THR A 88 7.332 9.352 -2.253 1.00 0.00 H new ATOM 1274 N SER A 89 7.251 8.404 -5.266 1.00 0.00 N ATOM 1275 CA SER A 89 6.466 7.183 -5.412 1.00 0.00 C ATOM 1276 C SER A 89 7.325 5.950 -5.147 1.00 0.00 C ATOM 1277 O SER A 89 8.516 5.932 -5.457 1.00 0.00 O ATOM 1278 CB SER A 89 5.861 7.105 -6.814 1.00 0.00 C ATOM 1279 OG SER A 89 6.872 7.080 -7.806 1.00 0.00 O ATOM 0 H SER A 89 8.205 8.337 -5.621 1.00 0.00 H new ATOM 0 HA SER A 89 5.661 7.208 -4.678 1.00 0.00 H new ATOM 0 HB2 SER A 89 5.243 6.211 -6.897 1.00 0.00 H new ATOM 0 HB3 SER A 89 5.207 7.961 -6.979 1.00 0.00 H new ATOM 0 HG SER A 89 6.459 7.028 -8.693 1.00 0.00 H new ATOM 1285 N TRP A 90 6.712 4.923 -4.571 1.00 0.00 N ATOM 1286 CA TRP A 90 7.420 3.685 -4.263 1.00 0.00 C ATOM 1287 C TRP A 90 6.806 2.507 -5.011 1.00 0.00 C ATOM 1288 O TRP A 90 5.618 2.219 -4.867 1.00 0.00 O ATOM 1289 CB TRP A 90 7.394 3.419 -2.757 1.00 0.00 C ATOM 1290 CG TRP A 90 8.502 2.524 -2.293 1.00 0.00 C ATOM 1291 CD1 TRP A 90 8.561 1.164 -2.407 1.00 0.00 C ATOM 1292 CD2 TRP A 90 9.711 2.926 -1.638 1.00 0.00 C ATOM 1293 NE1 TRP A 90 9.732 0.697 -1.864 1.00 0.00 N ATOM 1294 CE2 TRP A 90 10.456 1.757 -1.386 1.00 0.00 C ATOM 1295 CE3 TRP A 90 10.237 4.158 -1.243 1.00 0.00 C ATOM 1296 CZ2 TRP A 90 11.697 1.788 -0.755 1.00 0.00 C ATOM 1297 CZ3 TRP A 90 11.468 4.187 -0.617 1.00 0.00 C ATOM 1298 CH2 TRP A 90 12.188 3.008 -0.379 1.00 0.00 C ATOM 0 H TRP A 90 5.727 4.922 -4.308 1.00 0.00 H new ATOM 0 HA TRP A 90 8.455 3.797 -4.586 1.00 0.00 H new ATOM 0 HB2 TRP A 90 7.458 4.369 -2.226 1.00 0.00 H new ATOM 0 HB3 TRP A 90 6.438 2.969 -2.491 1.00 0.00 H new ATOM 0 HD1 TRP A 90 7.798 0.547 -2.858 1.00 0.00 H new ATOM 0 HE1 TRP A 90 10.017 -0.282 -1.823 1.00 0.00 H new ATOM 0 HE3 TRP A 90 9.691 5.072 -1.424 1.00 0.00 H new ATOM 0 HZ2 TRP A 90 12.252 0.881 -0.569 1.00 0.00 H new ATOM 0 HZ3 TRP A 90 11.883 5.134 -0.306 1.00 0.00 H new ATOM 0 HH2 TRP A 90 13.149 3.064 0.111 1.00 0.00 H new ATOM 1309 N SER A 91 7.623 1.828 -5.810 1.00 0.00 N ATOM 1310 CA SER A 91 7.159 0.682 -6.583 1.00 0.00 C ATOM 1311 C SER A 91 7.085 -0.568 -5.711 1.00 0.00 C ATOM 1312 O SER A 91 7.928 -0.782 -4.841 1.00 0.00 O ATOM 1313 CB SER A 91 8.087 0.433 -7.774 1.00 0.00 C ATOM 1314 OG SER A 91 9.318 -0.128 -7.352 1.00 0.00 O ATOM 0 H SER A 91 8.610 2.052 -5.939 1.00 0.00 H new ATOM 0 HA SER A 91 6.158 0.906 -6.952 1.00 0.00 H new ATOM 0 HB2 SER A 91 7.602 -0.238 -8.483 1.00 0.00 H new ATOM 0 HB3 SER A 91 8.272 1.371 -8.298 1.00 0.00 H new ATOM 0 HG SER A 91 9.893 -0.279 -8.131 1.00 0.00 H new ATOM 1320 N ALA A 92 6.069 -1.390 -5.952 1.00 0.00 N ATOM 1321 CA ALA A 92 5.885 -2.620 -5.191 1.00 0.00 C ATOM 1322 C ALA A 92 4.754 -3.461 -5.773 1.00 0.00 C ATOM 1323 O ALA A 92 3.920 -2.961 -6.528 1.00 0.00 O ATOM 1324 CB ALA A 92 5.609 -2.300 -3.730 1.00 0.00 C ATOM 0 H ALA A 92 5.361 -1.227 -6.668 1.00 0.00 H new ATOM 0 HA ALA A 92 6.805 -3.200 -5.257 1.00 0.00 H new ATOM 0 HB1 ALA A 92 5.474 -3.228 -3.174 1.00 0.00 H new ATOM 0 HB2 ALA A 92 6.451 -1.747 -3.313 1.00 0.00 H new ATOM 0 HB3 ALA A 92 4.705 -1.696 -3.654 1.00 0.00 H new ATOM 1330 N VAL A 93 4.732 -4.742 -5.418 1.00 0.00 N ATOM 1331 CA VAL A 93 3.703 -5.653 -5.905 1.00 0.00 C ATOM 1332 C VAL A 93 3.279 -6.634 -4.817 1.00 0.00 C ATOM 1333 O VAL A 93 3.987 -6.826 -3.828 1.00 0.00 O ATOM 1334 CB VAL A 93 4.190 -6.444 -7.133 1.00 0.00 C ATOM 1335 CG1 VAL A 93 5.416 -7.273 -6.783 1.00 0.00 C ATOM 1336 CG2 VAL A 93 3.075 -7.328 -7.673 1.00 0.00 C ATOM 0 H VAL A 93 5.415 -5.172 -4.795 1.00 0.00 H new ATOM 0 HA VAL A 93 2.848 -5.041 -6.192 1.00 0.00 H new ATOM 0 HB VAL A 93 4.471 -5.735 -7.912 1.00 0.00 H new ATOM 0 HG11 VAL A 93 5.745 -7.825 -7.663 1.00 0.00 H new ATOM 0 HG12 VAL A 93 6.217 -6.614 -6.447 1.00 0.00 H new ATOM 0 HG13 VAL A 93 5.166 -7.975 -5.987 1.00 0.00 H new ATOM 0 HG21 VAL A 93 3.436 -7.880 -8.541 1.00 0.00 H new ATOM 0 HG22 VAL A 93 2.761 -8.030 -6.901 1.00 0.00 H new ATOM 0 HG23 VAL A 93 2.228 -6.707 -7.965 1.00 0.00 H new ATOM 1346 N LEU A 94 2.119 -7.253 -5.007 1.00 0.00 N ATOM 1347 CA LEU A 94 1.598 -8.216 -4.043 1.00 0.00 C ATOM 1348 C LEU A 94 1.140 -9.492 -4.741 1.00 0.00 C ATOM 1349 O LEU A 94 0.281 -9.455 -5.622 1.00 0.00 O ATOM 1350 CB LEU A 94 0.436 -7.604 -3.258 1.00 0.00 C ATOM 1351 CG LEU A 94 -0.432 -8.586 -2.471 1.00 0.00 C ATOM 1352 CD1 LEU A 94 0.173 -8.856 -1.102 1.00 0.00 C ATOM 1353 CD2 LEU A 94 -1.850 -8.051 -2.333 1.00 0.00 C ATOM 0 H LEU A 94 1.521 -7.105 -5.820 1.00 0.00 H new ATOM 0 HA LEU A 94 2.401 -8.471 -3.351 1.00 0.00 H new ATOM 0 HB2 LEU A 94 0.841 -6.869 -2.562 1.00 0.00 H new ATOM 0 HB3 LEU A 94 -0.203 -7.064 -3.956 1.00 0.00 H new ATOM 0 HG LEU A 94 -0.471 -9.527 -3.020 1.00 0.00 H new ATOM 0 HD11 LEU A 94 -0.459 -9.557 -0.557 1.00 0.00 H new ATOM 0 HD12 LEU A 94 1.169 -9.283 -1.222 1.00 0.00 H new ATOM 0 HD13 LEU A 94 0.243 -7.922 -0.545 1.00 0.00 H new ATOM 0 HD21 LEU A 94 -2.454 -8.763 -1.770 1.00 0.00 H new ATOM 0 HD22 LEU A 94 -1.829 -7.097 -1.807 1.00 0.00 H new ATOM 0 HD23 LEU A 94 -2.284 -7.910 -3.323 1.00 0.00 H new ATOM 1365 N ASP A 95 1.716 -10.619 -4.339 1.00 0.00 N ATOM 1366 CA ASP A 95 1.365 -11.908 -4.924 1.00 0.00 C ATOM 1367 C ASP A 95 0.452 -12.697 -3.990 1.00 0.00 C ATOM 1368 O ASP A 95 0.836 -13.038 -2.871 1.00 0.00 O ATOM 1369 CB ASP A 95 2.627 -12.717 -5.227 1.00 0.00 C ATOM 1370 CG ASP A 95 2.447 -13.653 -6.406 1.00 0.00 C ATOM 1371 OD1 ASP A 95 1.521 -14.489 -6.362 1.00 0.00 O ATOM 1372 OD2 ASP A 95 3.232 -13.549 -7.372 1.00 0.00 O ATOM 0 H ASP A 95 2.428 -10.666 -3.610 1.00 0.00 H new ATOM 0 HA ASP A 95 0.831 -11.723 -5.856 1.00 0.00 H new ATOM 0 HB2 ASP A 95 3.452 -12.034 -5.432 1.00 0.00 H new ATOM 0 HB3 ASP A 95 2.904 -13.296 -4.346 1.00 0.00 H new ATOM 1377 N VAL A 96 -0.759 -12.984 -4.457 1.00 0.00 N ATOM 1378 CA VAL A 96 -1.727 -13.732 -3.664 1.00 0.00 C ATOM 1379 C VAL A 96 -1.902 -15.147 -4.204 1.00 0.00 C ATOM 1380 O VAL A 96 -2.360 -15.343 -5.331 1.00 0.00 O ATOM 1381 CB VAL A 96 -3.098 -13.030 -3.642 1.00 0.00 C ATOM 1382 CG1 VAL A 96 -4.129 -13.894 -2.934 1.00 0.00 C ATOM 1383 CG2 VAL A 96 -2.986 -11.666 -2.977 1.00 0.00 C ATOM 0 H VAL A 96 -1.093 -12.710 -5.381 1.00 0.00 H new ATOM 0 HA VAL A 96 -1.335 -13.779 -2.648 1.00 0.00 H new ATOM 0 HB VAL A 96 -3.428 -12.882 -4.670 1.00 0.00 H new ATOM 0 HG11 VAL A 96 -5.091 -13.382 -2.928 1.00 0.00 H new ATOM 0 HG12 VAL A 96 -4.228 -14.845 -3.457 1.00 0.00 H new ATOM 0 HG13 VAL A 96 -3.809 -14.076 -1.908 1.00 0.00 H new ATOM 0 HG21 VAL A 96 -3.963 -11.183 -2.970 1.00 0.00 H new ATOM 0 HG22 VAL A 96 -2.634 -11.788 -1.953 1.00 0.00 H new ATOM 0 HG23 VAL A 96 -2.280 -11.048 -3.532 1.00 0.00 H new ATOM 1393 N THR A 97 -1.535 -16.134 -3.392 1.00 0.00 N ATOM 1394 CA THR A 97 -1.651 -17.532 -3.788 1.00 0.00 C ATOM 1395 C THR A 97 -2.799 -18.217 -3.056 1.00 0.00 C ATOM 1396 O THR A 97 -3.508 -17.590 -2.270 1.00 0.00 O ATOM 1397 CB THR A 97 -0.347 -18.304 -3.510 1.00 0.00 C ATOM 1398 OG1 THR A 97 -0.078 -18.322 -2.104 1.00 0.00 O ATOM 1399 CG2 THR A 97 0.823 -17.672 -4.248 1.00 0.00 C ATOM 0 H THR A 97 -1.155 -15.991 -2.456 1.00 0.00 H new ATOM 0 HA THR A 97 -1.850 -17.542 -4.860 1.00 0.00 H new ATOM 0 HB THR A 97 -0.472 -19.326 -3.868 1.00 0.00 H new ATOM 0 HG1 THR A 97 0.882 -18.198 -1.953 1.00 0.00 H new ATOM 0 HG21 THR A 97 1.733 -18.234 -4.037 1.00 0.00 H new ATOM 0 HG22 THR A 97 0.628 -17.687 -5.320 1.00 0.00 H new ATOM 0 HG23 THR A 97 0.948 -16.641 -3.917 1.00 0.00 H new ATOM 1407 N GLU A 98 -2.977 -19.508 -3.319 1.00 0.00 N ATOM 1408 CA GLU A 98 -4.040 -20.278 -2.684 1.00 0.00 C ATOM 1409 C GLU A 98 -3.503 -21.070 -1.495 1.00 0.00 C ATOM 1410 O GLU A 98 -4.246 -21.401 -0.571 1.00 0.00 O ATOM 1411 CB GLU A 98 -4.685 -21.229 -3.695 1.00 0.00 C ATOM 1412 CG GLU A 98 -5.406 -20.516 -4.827 1.00 0.00 C ATOM 1413 CD GLU A 98 -6.083 -21.477 -5.784 1.00 0.00 C ATOM 1414 OE1 GLU A 98 -5.366 -22.223 -6.484 1.00 0.00 O ATOM 1415 OE2 GLU A 98 -7.331 -21.485 -5.832 1.00 0.00 O ATOM 0 H GLU A 98 -2.399 -20.042 -3.967 1.00 0.00 H new ATOM 0 HA GLU A 98 -4.793 -19.579 -2.322 1.00 0.00 H new ATOM 0 HB2 GLU A 98 -3.915 -21.875 -4.116 1.00 0.00 H new ATOM 0 HB3 GLU A 98 -5.393 -21.874 -3.174 1.00 0.00 H new ATOM 0 HG2 GLU A 98 -6.152 -19.840 -4.409 1.00 0.00 H new ATOM 0 HG3 GLU A 98 -4.693 -19.903 -5.378 1.00 0.00 H new ATOM 1422 N SER A 99 -2.209 -21.369 -1.527 1.00 0.00 N ATOM 1423 CA SER A 99 -1.573 -22.126 -0.455 1.00 0.00 C ATOM 1424 C SER A 99 -0.342 -21.393 0.070 1.00 0.00 C ATOM 1425 O SER A 99 0.650 -22.015 0.448 1.00 0.00 O ATOM 1426 CB SER A 99 -1.179 -23.519 -0.949 1.00 0.00 C ATOM 1427 OG SER A 99 -0.287 -23.437 -2.047 1.00 0.00 O ATOM 0 H SER A 99 -1.580 -21.099 -2.283 1.00 0.00 H new ATOM 0 HA SER A 99 -2.290 -22.227 0.360 1.00 0.00 H new ATOM 0 HB2 SER A 99 -0.712 -24.077 -0.138 1.00 0.00 H new ATOM 0 HB3 SER A 99 -2.072 -24.070 -1.242 1.00 0.00 H new ATOM 0 HG SER A 99 -0.049 -24.340 -2.343 1.00 0.00 H new ATOM 1433 N GLY A 100 -0.414 -20.066 0.090 1.00 0.00 N ATOM 1434 CA GLY A 100 0.700 -19.269 0.570 1.00 0.00 C ATOM 1435 C GLY A 100 0.826 -19.299 2.080 1.00 0.00 C ATOM 1436 O GLY A 100 -0.045 -19.827 2.772 1.00 0.00 O ATOM 0 H GLY A 100 -1.224 -19.528 -0.218 1.00 0.00 H new ATOM 0 HA2 GLY A 100 1.624 -19.636 0.124 1.00 0.00 H new ATOM 0 HA3 GLY A 100 0.574 -18.238 0.239 1.00 0.00 H new