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 44 LYS NZ :NH3+ -155:sc= 0.331 (180deg=0.328) USER MOD Set 1.2: A 77 TYR OH : rot 180:sc= -0.975 USER MOD Single : A 13 GLN : amide:sc= -0.0397 K(o=-0.04,f=-1.6!) USER MOD Single : A 17 ASN : amide:sc= -0.618 K(o=-0.62,f=-5!) USER MOD Single : A 18 GLN :FLIP amide:sc= -0.657 F(o=-1.6,f=-0.66) USER MOD Single : A 19 THR OG1 : rot 180:sc= -0.069 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 180:sc= 0 USER MOD Single : A 48 THR OG1 : rot 180:sc= 0 USER MOD Single : A 57 THR OG1 : rot 180:sc= -0.0835 USER MOD Single : A 63 THR OG1 : rot 180:sc= 0 USER MOD Single : A 65 GLN : amide:sc= -0.141 X(o=-0.14,f=0) USER MOD Single : A 67 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 68 ASN : amide:sc= -1.25 K(o=-1.3,f=-7.7!) USER MOD Single : A 72 SER OG : rot 180:sc= 0 USER MOD Single : A 74 THR OG1 : rot 101:sc= 0.211 USER MOD Single : A 76 THR OG1 : rot 180:sc= 0 USER MOD Single : A 78 THR OG1 : rot -76:sc= 0.0939 USER MOD Single : A 82 THR OG1 : rot 180:sc= 0 USER MOD Single : A 83 SER OG : rot 160:sc= -0.235 USER MOD Single : A 84 SER OG : rot 180:sc= 0 USER MOD Single : A 85 SER OG : rot 88:sc= 0.0163 USER MOD Single : A 88 THR OG1 : rot 180:sc= -0.117 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 180:sc= 0 USER MOD Single : A 99 SER OG : rot 180:sc= 0 USER MOD ----------------------------------------------------------------- ATOM 80 N PRO A 9 8.824 15.228 -0.462 1.00 0.00 N ATOM 81 CA PRO A 9 8.419 14.187 0.487 1.00 0.00 C ATOM 82 C PRO A 9 9.152 12.871 0.252 1.00 0.00 C ATOM 83 O PRO A 9 8.877 12.160 -0.714 1.00 0.00 O ATOM 84 CB PRO A 9 6.922 14.021 0.214 1.00 0.00 C ATOM 85 CG PRO A 9 6.743 14.463 -1.197 1.00 0.00 C ATOM 86 CD PRO A 9 7.755 15.553 -1.421 1.00 0.00 C ATOM 0 HA PRO A 9 8.651 14.461 1.516 1.00 0.00 H new ATOM 0 HB2 PRO A 9 6.608 12.986 0.347 1.00 0.00 H new ATOM 0 HB3 PRO A 9 6.326 14.626 0.897 1.00 0.00 H new ATOM 0 HG2 PRO A 9 6.901 13.635 -1.888 1.00 0.00 H new ATOM 0 HG3 PRO A 9 5.731 14.830 -1.366 1.00 0.00 H new ATOM 0 HD2 PRO A 9 8.123 15.555 -2.447 1.00 0.00 H new ATOM 0 HD3 PRO A 9 7.332 16.539 -1.232 1.00 0.00 H new ATOM 94 N ILE A 10 10.087 12.553 1.142 1.00 0.00 N ATOM 95 CA ILE A 10 10.858 11.322 1.032 1.00 0.00 C ATOM 96 C ILE A 10 10.183 10.180 1.784 1.00 0.00 C ATOM 97 O ILE A 10 9.795 10.332 2.943 1.00 0.00 O ATOM 98 CB ILE A 10 12.289 11.503 1.573 1.00 0.00 C ATOM 99 CG1 ILE A 10 13.076 12.466 0.682 1.00 0.00 C ATOM 100 CG2 ILE A 10 12.995 10.159 1.663 1.00 0.00 C ATOM 101 CD1 ILE A 10 14.227 13.143 1.394 1.00 0.00 C ATOM 0 H ILE A 10 10.328 13.131 1.947 1.00 0.00 H new ATOM 0 HA ILE A 10 10.908 11.076 -0.029 1.00 0.00 H new ATOM 0 HB ILE A 10 12.232 11.929 2.575 1.00 0.00 H new ATOM 0 HG12 ILE A 10 13.462 11.919 -0.178 1.00 0.00 H new ATOM 0 HG13 ILE A 10 12.399 13.228 0.297 1.00 0.00 H new ATOM 0 HG21 ILE A 10 14.005 10.303 2.047 1.00 0.00 H new ATOM 0 HG22 ILE A 10 12.442 9.502 2.334 1.00 0.00 H new ATOM 0 HG23 ILE A 10 13.045 9.707 0.672 1.00 0.00 H new ATOM 0 HD11 ILE A 10 14.740 13.811 0.702 1.00 0.00 H new ATOM 0 HD12 ILE A 10 13.845 13.718 2.238 1.00 0.00 H new ATOM 0 HD13 ILE A 10 14.926 12.388 1.755 1.00 0.00 H new ATOM 113 N ILE A 11 10.048 9.038 1.119 1.00 0.00 N ATOM 114 CA ILE A 11 9.422 7.870 1.726 1.00 0.00 C ATOM 115 C ILE A 11 10.442 7.038 2.495 1.00 0.00 C ATOM 116 O ILE A 11 11.057 6.124 1.943 1.00 0.00 O ATOM 117 CB ILE A 11 8.744 6.981 0.667 1.00 0.00 C ATOM 118 CG1 ILE A 11 7.465 7.646 0.155 1.00 0.00 C ATOM 119 CG2 ILE A 11 8.438 5.607 1.247 1.00 0.00 C ATOM 120 CD1 ILE A 11 6.860 6.948 -1.044 1.00 0.00 C ATOM 0 H ILE A 11 10.364 8.897 0.159 1.00 0.00 H new ATOM 0 HA ILE A 11 8.664 8.240 2.416 1.00 0.00 H new ATOM 0 HB ILE A 11 9.427 6.856 -0.173 1.00 0.00 H new ATOM 0 HG12 ILE A 11 6.730 7.671 0.960 1.00 0.00 H new ATOM 0 HG13 ILE A 11 7.684 8.681 -0.109 1.00 0.00 H new ATOM 0 HG21 ILE A 11 7.959 4.990 0.487 1.00 0.00 H new ATOM 0 HG22 ILE A 11 9.365 5.133 1.568 1.00 0.00 H new ATOM 0 HG23 ILE A 11 7.770 5.713 2.102 1.00 0.00 H new ATOM 0 HD11 ILE A 11 5.956 7.473 -1.353 1.00 0.00 H new ATOM 0 HD12 ILE A 11 7.578 6.946 -1.864 1.00 0.00 H new ATOM 0 HD13 ILE A 11 6.610 5.921 -0.779 1.00 0.00 H new ATOM 132 N LEU A 12 10.617 7.358 3.773 1.00 0.00 N ATOM 133 CA LEU A 12 11.561 6.638 4.620 1.00 0.00 C ATOM 134 C LEU A 12 11.605 5.158 4.252 1.00 0.00 C ATOM 135 O LEU A 12 12.677 4.559 4.182 1.00 0.00 O ATOM 136 CB LEU A 12 11.180 6.798 6.093 1.00 0.00 C ATOM 137 CG LEU A 12 11.235 8.221 6.649 1.00 0.00 C ATOM 138 CD1 LEU A 12 10.350 8.347 7.880 1.00 0.00 C ATOM 139 CD2 LEU A 12 12.668 8.610 6.979 1.00 0.00 C ATOM 0 H LEU A 12 10.117 8.112 4.245 1.00 0.00 H new ATOM 0 HA LEU A 12 12.552 7.063 4.459 1.00 0.00 H new ATOM 0 HB2 LEU A 12 10.169 6.415 6.230 1.00 0.00 H new ATOM 0 HB3 LEU A 12 11.842 6.170 6.689 1.00 0.00 H new ATOM 0 HG LEU A 12 10.861 8.903 5.886 1.00 0.00 H new ATOM 0 HD11 LEU A 12 10.401 9.366 8.262 1.00 0.00 H new ATOM 0 HD12 LEU A 12 9.320 8.111 7.613 1.00 0.00 H new ATOM 0 HD13 LEU A 12 10.694 7.654 8.648 1.00 0.00 H new ATOM 0 HD21 LEU A 12 12.688 9.626 7.373 1.00 0.00 H new ATOM 0 HD22 LEU A 12 13.069 7.923 7.725 1.00 0.00 H new ATOM 0 HD23 LEU A 12 13.276 8.560 6.076 1.00 0.00 H new ATOM 151 N GLN A 13 10.433 4.578 4.015 1.00 0.00 N ATOM 152 CA GLN A 13 10.339 3.169 3.652 1.00 0.00 C ATOM 153 C GLN A 13 8.931 2.821 3.181 1.00 0.00 C ATOM 154 O GLN A 13 7.998 2.749 3.980 1.00 0.00 O ATOM 155 CB GLN A 13 10.724 2.287 4.842 1.00 0.00 C ATOM 156 CG GLN A 13 10.695 0.800 4.531 1.00 0.00 C ATOM 157 CD GLN A 13 10.639 -0.057 5.780 1.00 0.00 C ATOM 158 OE1 GLN A 13 10.455 0.451 6.887 1.00 0.00 O ATOM 159 NE2 GLN A 13 10.798 -1.364 5.610 1.00 0.00 N ATOM 0 H GLN A 13 9.536 5.061 4.068 1.00 0.00 H new ATOM 0 HA GLN A 13 11.033 2.984 2.832 1.00 0.00 H new ATOM 0 HB2 GLN A 13 11.724 2.560 5.177 1.00 0.00 H new ATOM 0 HB3 GLN A 13 10.044 2.490 5.669 1.00 0.00 H new ATOM 0 HG2 GLN A 13 9.830 0.580 3.905 1.00 0.00 H new ATOM 0 HG3 GLN A 13 11.581 0.536 3.954 1.00 0.00 H new ATOM 0 HE21 GLN A 13 10.948 -1.742 4.675 1.00 0.00 H new ATOM 0 HE22 GLN A 13 10.770 -1.990 6.415 1.00 0.00 H new ATOM 168 N GLY A 14 8.784 2.606 1.877 1.00 0.00 N ATOM 169 CA GLY A 14 7.487 2.269 1.322 1.00 0.00 C ATOM 170 C GLY A 14 7.196 0.783 1.387 1.00 0.00 C ATOM 171 O GLY A 14 7.775 0.050 2.190 1.00 0.00 O ATOM 0 H GLY A 14 9.541 2.659 1.195 1.00 0.00 H new ATOM 0 HA2 GLY A 14 6.712 2.812 1.863 1.00 0.00 H new ATOM 0 HA3 GLY A 14 7.442 2.600 0.284 1.00 0.00 H new ATOM 175 N PRO A 15 6.278 0.317 0.527 1.00 0.00 N ATOM 176 CA PRO A 15 5.891 -1.096 0.471 1.00 0.00 C ATOM 177 C PRO A 15 7.002 -1.980 -0.083 1.00 0.00 C ATOM 178 O PRO A 15 8.134 -1.533 -0.260 1.00 0.00 O ATOM 179 CB PRO A 15 4.686 -1.096 -0.473 1.00 0.00 C ATOM 180 CG PRO A 15 4.875 0.109 -1.328 1.00 0.00 C ATOM 181 CD PRO A 15 5.549 1.133 -0.458 1.00 0.00 C ATOM 0 HA PRO A 15 5.675 -1.499 1.460 1.00 0.00 H new ATOM 0 HB2 PRO A 15 4.653 -2.006 -1.073 1.00 0.00 H new ATOM 0 HB3 PRO A 15 3.749 -1.045 0.081 1.00 0.00 H new ATOM 0 HG2 PRO A 15 5.485 -0.124 -2.201 1.00 0.00 H new ATOM 0 HG3 PRO A 15 3.919 0.479 -1.697 1.00 0.00 H new ATOM 0 HD2 PRO A 15 6.224 1.767 -1.033 1.00 0.00 H new ATOM 0 HD3 PRO A 15 4.825 1.791 0.022 1.00 0.00 H new ATOM 189 N ALA A 16 6.670 -3.238 -0.355 1.00 0.00 N ATOM 190 CA ALA A 16 7.640 -4.185 -0.892 1.00 0.00 C ATOM 191 C ALA A 16 6.946 -5.412 -1.473 1.00 0.00 C ATOM 192 O ALA A 16 5.745 -5.603 -1.287 1.00 0.00 O ATOM 193 CB ALA A 16 8.628 -4.598 0.189 1.00 0.00 C ATOM 0 H ALA A 16 5.737 -3.625 -0.212 1.00 0.00 H new ATOM 0 HA ALA A 16 8.184 -3.692 -1.698 1.00 0.00 H new ATOM 0 HB1 ALA A 16 9.346 -5.305 -0.226 1.00 0.00 H new ATOM 0 HB2 ALA A 16 9.156 -3.717 0.555 1.00 0.00 H new ATOM 0 HB3 ALA A 16 8.091 -5.068 1.013 1.00 0.00 H new ATOM 199 N ASN A 17 7.709 -6.239 -2.179 1.00 0.00 N ATOM 200 CA ASN A 17 7.166 -7.448 -2.789 1.00 0.00 C ATOM 201 C ASN A 17 7.022 -8.561 -1.756 1.00 0.00 C ATOM 202 O ASN A 17 8.012 -9.154 -1.327 1.00 0.00 O ATOM 203 CB ASN A 17 8.066 -7.914 -3.936 1.00 0.00 C ATOM 204 CG ASN A 17 9.434 -8.356 -3.454 1.00 0.00 C ATOM 205 OD1 ASN A 17 10.043 -7.711 -2.600 1.00 0.00 O ATOM 206 ND2 ASN A 17 9.925 -9.463 -4.000 1.00 0.00 N ATOM 0 H ASN A 17 8.705 -6.095 -2.343 1.00 0.00 H new ATOM 0 HA ASN A 17 6.178 -7.213 -3.184 1.00 0.00 H new ATOM 0 HB2 ASN A 17 7.584 -8.739 -4.460 1.00 0.00 H new ATOM 0 HB3 ASN A 17 8.182 -7.104 -4.656 1.00 0.00 H new ATOM 0 HD21 ASN A 17 10.841 -9.810 -3.715 1.00 0.00 H new ATOM 0 HD22 ASN A 17 9.386 -9.966 -4.705 1.00 0.00 H new ATOM 213 N GLN A 18 5.784 -8.839 -1.363 1.00 0.00 N ATOM 214 CA GLN A 18 5.510 -9.881 -0.380 1.00 0.00 C ATOM 215 C GLN A 18 4.445 -10.846 -0.892 1.00 0.00 C ATOM 216 O GLN A 18 3.469 -10.434 -1.519 1.00 0.00 O ATOM 217 CB GLN A 18 5.059 -9.259 0.942 1.00 0.00 C ATOM 218 CG GLN A 18 3.988 -8.193 0.779 1.00 0.00 C ATOM 219 CD GLN A 18 4.046 -7.136 1.864 1.00 0.00 C ATOM 220 OE1 GLN A 18 3.665 -5.911 1.519 1.00 0.00 O flip ATOM 221 NE2 GLN A 18 4.428 -7.417 3.000 1.00 0.00 N flip ATOM 0 H GLN A 18 4.954 -8.358 -1.710 1.00 0.00 H new ATOM 0 HA GLN A 18 6.431 -10.440 -0.214 1.00 0.00 H new ATOM 0 HB2 GLN A 18 4.680 -10.046 1.594 1.00 0.00 H new ATOM 0 HB3 GLN A 18 5.923 -8.821 1.441 1.00 0.00 H new ATOM 0 HG2 GLN A 18 4.101 -7.716 -0.194 1.00 0.00 H new ATOM 0 HG3 GLN A 18 3.006 -8.666 0.790 1.00 0.00 H new ATOM 0 HE21 GLN A 18 4.712 -8.371 3.221 1.00 0.00 H new ATOM 0 HE22 GLN A 18 4.461 -6.695 3.720 1.00 0.00 H new ATOM 230 N THR A 19 4.640 -12.133 -0.620 1.00 0.00 N ATOM 231 CA THR A 19 3.697 -13.156 -1.054 1.00 0.00 C ATOM 232 C THR A 19 2.813 -13.613 0.101 1.00 0.00 C ATOM 233 O THR A 19 3.245 -14.380 0.962 1.00 0.00 O ATOM 234 CB THR A 19 4.427 -14.379 -1.642 1.00 0.00 C ATOM 235 OG1 THR A 19 5.227 -13.980 -2.760 1.00 0.00 O ATOM 236 CG2 THR A 19 3.433 -15.445 -2.077 1.00 0.00 C ATOM 0 H THR A 19 5.442 -12.491 -0.101 1.00 0.00 H new ATOM 0 HA THR A 19 3.075 -12.706 -1.828 1.00 0.00 H new ATOM 0 HB THR A 19 5.069 -14.799 -0.868 1.00 0.00 H new ATOM 0 HG1 THR A 19 5.689 -14.762 -3.127 1.00 0.00 H new ATOM 0 HG21 THR A 19 3.972 -16.298 -2.489 1.00 0.00 H new ATOM 0 HG22 THR A 19 2.845 -15.767 -1.217 1.00 0.00 H new ATOM 0 HG23 THR A 19 2.768 -15.034 -2.837 1.00 0.00 H new ATOM 244 N LEU A 20 1.572 -13.139 0.112 1.00 0.00 N ATOM 245 CA LEU A 20 0.624 -13.501 1.161 1.00 0.00 C ATOM 246 C LEU A 20 -0.425 -14.475 0.635 1.00 0.00 C ATOM 247 O LEU A 20 -0.389 -14.872 -0.529 1.00 0.00 O ATOM 248 CB LEU A 20 -0.058 -12.248 1.713 1.00 0.00 C ATOM 249 CG LEU A 20 0.868 -11.183 2.302 1.00 0.00 C ATOM 250 CD1 LEU A 20 0.119 -9.875 2.500 1.00 0.00 C ATOM 251 CD2 LEU A 20 1.464 -11.664 3.618 1.00 0.00 C ATOM 0 H LEU A 20 1.199 -12.503 -0.593 1.00 0.00 H new ATOM 0 HA LEU A 20 1.177 -13.990 1.963 1.00 0.00 H new ATOM 0 HB2 LEU A 20 -0.639 -11.792 0.911 1.00 0.00 H new ATOM 0 HB3 LEU A 20 -0.764 -12.554 2.485 1.00 0.00 H new ATOM 0 HG LEU A 20 1.683 -11.008 1.599 1.00 0.00 H new ATOM 0 HD11 LEU A 20 0.794 -9.129 2.920 1.00 0.00 H new ATOM 0 HD12 LEU A 20 -0.259 -9.523 1.540 1.00 0.00 H new ATOM 0 HD13 LEU A 20 -0.716 -10.034 3.182 1.00 0.00 H new ATOM 0 HD21 LEU A 20 2.120 -10.894 4.023 1.00 0.00 H new ATOM 0 HD22 LEU A 20 0.662 -11.868 4.328 1.00 0.00 H new ATOM 0 HD23 LEU A 20 2.037 -12.575 3.446 1.00 0.00 H new ATOM 263 N ALA A 21 -1.359 -14.855 1.501 1.00 0.00 N ATOM 264 CA ALA A 21 -2.420 -15.779 1.123 1.00 0.00 C ATOM 265 C ALA A 21 -3.681 -15.028 0.710 1.00 0.00 C ATOM 266 O ALA A 21 -3.791 -13.819 0.917 1.00 0.00 O ATOM 267 CB ALA A 21 -2.723 -16.732 2.270 1.00 0.00 C ATOM 0 H ALA A 21 -1.402 -14.537 2.469 1.00 0.00 H new ATOM 0 HA ALA A 21 -2.076 -16.357 0.265 1.00 0.00 H new ATOM 0 HB1 ALA A 21 -3.518 -17.417 1.974 1.00 0.00 H new ATOM 0 HB2 ALA A 21 -1.827 -17.301 2.517 1.00 0.00 H new ATOM 0 HB3 ALA A 21 -3.042 -16.162 3.142 1.00 0.00 H new ATOM 273 N VAL A 22 -4.631 -15.751 0.125 1.00 0.00 N ATOM 274 CA VAL A 22 -5.885 -15.152 -0.317 1.00 0.00 C ATOM 275 C VAL A 22 -6.944 -15.224 0.777 1.00 0.00 C ATOM 276 O VAL A 22 -6.804 -15.976 1.742 1.00 0.00 O ATOM 277 CB VAL A 22 -6.422 -15.846 -1.583 1.00 0.00 C ATOM 278 CG1 VAL A 22 -6.852 -17.271 -1.269 1.00 0.00 C ATOM 279 CG2 VAL A 22 -7.575 -15.051 -2.176 1.00 0.00 C ATOM 0 H VAL A 22 -4.556 -16.752 -0.054 1.00 0.00 H new ATOM 0 HA VAL A 22 -5.674 -14.107 -0.546 1.00 0.00 H new ATOM 0 HB VAL A 22 -5.621 -15.888 -2.321 1.00 0.00 H new ATOM 0 HG11 VAL A 22 -7.229 -17.745 -2.175 1.00 0.00 H new ATOM 0 HG12 VAL A 22 -5.998 -17.834 -0.893 1.00 0.00 H new ATOM 0 HG13 VAL A 22 -7.638 -17.256 -0.514 1.00 0.00 H new ATOM 0 HG21 VAL A 22 -7.943 -15.555 -3.070 1.00 0.00 H new ATOM 0 HG22 VAL A 22 -8.380 -14.976 -1.445 1.00 0.00 H new ATOM 0 HG23 VAL A 22 -7.230 -14.051 -2.439 1.00 0.00 H new ATOM 289 N ASP A 23 -8.002 -14.437 0.621 1.00 0.00 N ATOM 290 CA ASP A 23 -9.087 -14.412 1.595 1.00 0.00 C ATOM 291 C ASP A 23 -8.560 -14.081 2.987 1.00 0.00 C ATOM 292 O ASP A 23 -9.097 -14.544 3.992 1.00 0.00 O ATOM 293 CB ASP A 23 -9.812 -15.759 1.617 1.00 0.00 C ATOM 294 CG ASP A 23 -10.901 -15.848 0.567 1.00 0.00 C ATOM 295 OD1 ASP A 23 -10.568 -15.819 -0.636 1.00 0.00 O ATOM 296 OD2 ASP A 23 -12.087 -15.945 0.947 1.00 0.00 O ATOM 0 H ASP A 23 -8.132 -13.807 -0.171 1.00 0.00 H new ATOM 0 HA ASP A 23 -9.791 -13.634 1.299 1.00 0.00 H new ATOM 0 HB2 ASP A 23 -9.090 -16.559 1.456 1.00 0.00 H new ATOM 0 HB3 ASP A 23 -10.249 -15.917 2.603 1.00 0.00 H new ATOM 301 N GLY A 24 -7.502 -13.277 3.038 1.00 0.00 N ATOM 302 CA GLY A 24 -6.919 -12.898 4.312 1.00 0.00 C ATOM 303 C GLY A 24 -6.836 -11.395 4.488 1.00 0.00 C ATOM 304 O GLY A 24 -7.785 -10.672 4.182 1.00 0.00 O ATOM 0 H GLY A 24 -7.038 -12.882 2.220 1.00 0.00 H new ATOM 0 HA2 GLY A 24 -7.513 -13.323 5.121 1.00 0.00 H new ATOM 0 HA3 GLY A 24 -5.920 -13.326 4.392 1.00 0.00 H new ATOM 308 N THR A 25 -5.697 -10.921 4.984 1.00 0.00 N ATOM 309 CA THR A 25 -5.494 -9.494 5.204 1.00 0.00 C ATOM 310 C THR A 25 -4.093 -9.067 4.782 1.00 0.00 C ATOM 311 O THR A 25 -3.098 -9.603 5.268 1.00 0.00 O ATOM 312 CB THR A 25 -5.711 -9.117 6.681 1.00 0.00 C ATOM 313 OG1 THR A 25 -6.916 -9.718 7.169 1.00 0.00 O ATOM 314 CG2 THR A 25 -5.789 -7.607 6.848 1.00 0.00 C ATOM 0 H THR A 25 -4.901 -11.505 5.241 1.00 0.00 H new ATOM 0 HA THR A 25 -6.230 -8.972 4.592 1.00 0.00 H new ATOM 0 HB THR A 25 -4.862 -9.488 7.256 1.00 0.00 H new ATOM 0 HG1 THR A 25 -7.046 -9.474 8.109 1.00 0.00 H new ATOM 0 HG21 THR A 25 -5.943 -7.365 7.900 1.00 0.00 H new ATOM 0 HG22 THR A 25 -4.859 -7.154 6.503 1.00 0.00 H new ATOM 0 HG23 THR A 25 -6.621 -7.219 6.261 1.00 0.00 H new ATOM 322 N ALA A 26 -4.023 -8.098 3.876 1.00 0.00 N ATOM 323 CA ALA A 26 -2.743 -7.596 3.391 1.00 0.00 C ATOM 324 C ALA A 26 -2.405 -6.250 4.023 1.00 0.00 C ATOM 325 O ALA A 26 -3.138 -5.274 3.857 1.00 0.00 O ATOM 326 CB ALA A 26 -2.762 -7.480 1.874 1.00 0.00 C ATOM 0 H ALA A 26 -4.838 -7.645 3.463 1.00 0.00 H new ATOM 0 HA ALA A 26 -1.969 -8.307 3.680 1.00 0.00 H new ATOM 0 HB1 ALA A 26 -1.800 -7.104 1.526 1.00 0.00 H new ATOM 0 HB2 ALA A 26 -2.948 -8.461 1.436 1.00 0.00 H new ATOM 0 HB3 ALA A 26 -3.551 -6.792 1.572 1.00 0.00 H new ATOM 332 N LEU A 27 -1.293 -6.204 4.748 1.00 0.00 N ATOM 333 CA LEU A 27 -0.859 -4.977 5.405 1.00 0.00 C ATOM 334 C LEU A 27 0.408 -4.429 4.755 1.00 0.00 C ATOM 335 O LEU A 27 1.451 -5.084 4.755 1.00 0.00 O ATOM 336 CB LEU A 27 -0.613 -5.232 6.893 1.00 0.00 C ATOM 337 CG LEU A 27 -1.854 -5.518 7.740 1.00 0.00 C ATOM 338 CD1 LEU A 27 -1.642 -5.053 9.172 1.00 0.00 C ATOM 339 CD2 LEU A 27 -3.078 -4.846 7.135 1.00 0.00 C ATOM 0 H LEU A 27 -0.676 -7.002 4.896 1.00 0.00 H new ATOM 0 HA LEU A 27 -1.651 -4.236 5.295 1.00 0.00 H new ATOM 0 HB2 LEU A 27 0.070 -6.076 6.988 1.00 0.00 H new ATOM 0 HB3 LEU A 27 -0.105 -4.363 7.311 1.00 0.00 H new ATOM 0 HG LEU A 27 -2.023 -6.595 7.751 1.00 0.00 H new ATOM 0 HD11 LEU A 27 -2.535 -5.265 9.759 1.00 0.00 H new ATOM 0 HD12 LEU A 27 -0.791 -5.580 9.603 1.00 0.00 H new ATOM 0 HD13 LEU A 27 -1.448 -3.981 9.181 1.00 0.00 H new ATOM 0 HD21 LEU A 27 -3.952 -5.060 7.750 1.00 0.00 H new ATOM 0 HD22 LEU A 27 -2.918 -3.769 7.094 1.00 0.00 H new ATOM 0 HD23 LEU A 27 -3.242 -5.228 6.127 1.00 0.00 H new ATOM 351 N LEU A 28 0.310 -3.224 4.204 1.00 0.00 N ATOM 352 CA LEU A 28 1.449 -2.587 3.552 1.00 0.00 C ATOM 353 C LEU A 28 1.937 -1.388 4.358 1.00 0.00 C ATOM 354 O LEU A 28 1.145 -0.540 4.772 1.00 0.00 O ATOM 355 CB LEU A 28 1.070 -2.145 2.137 1.00 0.00 C ATOM 356 CG LEU A 28 0.311 -3.170 1.294 1.00 0.00 C ATOM 357 CD1 LEU A 28 0.030 -2.616 -0.094 1.00 0.00 C ATOM 358 CD2 LEU A 28 1.096 -4.471 1.203 1.00 0.00 C ATOM 0 H LEU A 28 -0.546 -2.669 4.196 1.00 0.00 H new ATOM 0 HA LEU A 28 2.258 -3.316 3.494 1.00 0.00 H new ATOM 0 HB2 LEU A 28 0.462 -1.243 2.210 1.00 0.00 H new ATOM 0 HB3 LEU A 28 1.982 -1.872 1.607 1.00 0.00 H new ATOM 0 HG LEU A 28 -0.643 -3.378 1.779 1.00 0.00 H new ATOM 0 HD11 LEU A 28 -0.511 -3.359 -0.680 1.00 0.00 H new ATOM 0 HD12 LEU A 28 -0.573 -1.712 -0.010 1.00 0.00 H new ATOM 0 HD13 LEU A 28 0.972 -2.379 -0.589 1.00 0.00 H new ATOM 0 HD21 LEU A 28 0.541 -5.189 0.599 1.00 0.00 H new ATOM 0 HD22 LEU A 28 2.064 -4.280 0.741 1.00 0.00 H new ATOM 0 HD23 LEU A 28 1.245 -4.877 2.204 1.00 0.00 H new ATOM 370 N LYS A 29 3.246 -1.321 4.577 1.00 0.00 N ATOM 371 CA LYS A 29 3.841 -0.224 5.331 1.00 0.00 C ATOM 372 C LYS A 29 4.355 0.864 4.393 1.00 0.00 C ATOM 373 O LYS A 29 5.017 0.576 3.395 1.00 0.00 O ATOM 374 CB LYS A 29 4.986 -0.741 6.205 1.00 0.00 C ATOM 375 CG LYS A 29 4.521 -1.580 7.383 1.00 0.00 C ATOM 376 CD LYS A 29 4.283 -3.025 6.979 1.00 0.00 C ATOM 377 CE LYS A 29 3.260 -3.696 7.883 1.00 0.00 C ATOM 378 NZ LYS A 29 3.877 -4.198 9.142 1.00 0.00 N ATOM 0 H LYS A 29 3.915 -2.014 4.243 1.00 0.00 H new ATOM 0 HA LYS A 29 3.070 0.206 5.970 1.00 0.00 H new ATOM 0 HB2 LYS A 29 5.661 -1.336 5.590 1.00 0.00 H new ATOM 0 HB3 LYS A 29 5.559 0.108 6.578 1.00 0.00 H new ATOM 0 HG2 LYS A 29 5.268 -1.541 8.176 1.00 0.00 H new ATOM 0 HG3 LYS A 29 3.602 -1.159 7.790 1.00 0.00 H new ATOM 0 HD2 LYS A 29 3.937 -3.063 5.946 1.00 0.00 H new ATOM 0 HD3 LYS A 29 5.223 -3.575 7.021 1.00 0.00 H new ATOM 0 HE2 LYS A 29 2.468 -2.987 8.124 1.00 0.00 H new ATOM 0 HE3 LYS A 29 2.794 -4.525 7.351 1.00 0.00 H new ATOM 0 HZ1 LYS A 29 3.147 -4.648 9.731 1.00 0.00 H new ATOM 0 HZ2 LYS A 29 4.615 -4.894 8.913 1.00 0.00 H new ATOM 0 HZ3 LYS A 29 4.300 -3.403 9.663 1.00 0.00 H new ATOM 392 N CYS A 30 4.048 2.114 4.721 1.00 0.00 N ATOM 393 CA CYS A 30 4.480 3.246 3.910 1.00 0.00 C ATOM 394 C CYS A 30 4.739 4.472 4.781 1.00 0.00 C ATOM 395 O CYS A 30 3.812 5.054 5.346 1.00 0.00 O ATOM 396 CB CYS A 30 3.425 3.573 2.851 1.00 0.00 C ATOM 397 SG CYS A 30 3.945 4.839 1.649 1.00 0.00 S ATOM 0 H CYS A 30 3.501 2.369 5.543 1.00 0.00 H new ATOM 0 HA CYS A 30 5.411 2.971 3.414 1.00 0.00 H new ATOM 0 HB2 CYS A 30 3.170 2.660 2.313 1.00 0.00 H new ATOM 0 HB3 CYS A 30 2.518 3.912 3.350 1.00 0.00 H new ATOM 402 N LYS A 31 6.005 4.860 4.885 1.00 0.00 N ATOM 403 CA LYS A 31 6.388 6.018 5.684 1.00 0.00 C ATOM 404 C LYS A 31 6.902 7.147 4.797 1.00 0.00 C ATOM 405 O LYS A 31 7.345 6.912 3.673 1.00 0.00 O ATOM 406 CB LYS A 31 7.462 5.627 6.703 1.00 0.00 C ATOM 407 CG LYS A 31 6.897 5.169 8.036 1.00 0.00 C ATOM 408 CD LYS A 31 7.804 4.149 8.705 1.00 0.00 C ATOM 409 CE LYS A 31 7.707 4.227 10.221 1.00 0.00 C ATOM 410 NZ LYS A 31 6.587 3.400 10.748 1.00 0.00 N ATOM 0 H LYS A 31 6.784 4.389 4.425 1.00 0.00 H new ATOM 0 HA LYS A 31 5.503 6.371 6.214 1.00 0.00 H new ATOM 0 HB2 LYS A 31 8.075 4.829 6.284 1.00 0.00 H new ATOM 0 HB3 LYS A 31 8.120 6.480 6.870 1.00 0.00 H new ATOM 0 HG2 LYS A 31 6.769 6.029 8.693 1.00 0.00 H new ATOM 0 HG3 LYS A 31 5.909 4.734 7.884 1.00 0.00 H new ATOM 0 HD2 LYS A 31 7.533 3.147 8.373 1.00 0.00 H new ATOM 0 HD3 LYS A 31 8.835 4.319 8.396 1.00 0.00 H new ATOM 0 HE2 LYS A 31 8.645 3.891 10.663 1.00 0.00 H new ATOM 0 HE3 LYS A 31 7.566 5.265 10.523 1.00 0.00 H new ATOM 0 HZ1 LYS A 31 6.554 3.480 11.784 1.00 0.00 H new ATOM 0 HZ2 LYS A 31 5.688 3.736 10.346 1.00 0.00 H new ATOM 0 HZ3 LYS A 31 6.735 2.406 10.482 1.00 0.00 H new ATOM 424 N ALA A 32 6.840 8.371 5.309 1.00 0.00 N ATOM 425 CA ALA A 32 7.302 9.536 4.564 1.00 0.00 C ATOM 426 C ALA A 32 7.537 10.723 5.491 1.00 0.00 C ATOM 427 O ALA A 32 6.764 10.963 6.420 1.00 0.00 O ATOM 428 CB ALA A 32 6.299 9.901 3.480 1.00 0.00 C ATOM 0 H ALA A 32 6.474 8.582 6.237 1.00 0.00 H new ATOM 0 HA ALA A 32 8.252 9.282 4.094 1.00 0.00 H new ATOM 0 HB1 ALA A 32 6.657 10.773 2.932 1.00 0.00 H new ATOM 0 HB2 ALA A 32 6.184 9.062 2.793 1.00 0.00 H new ATOM 0 HB3 ALA A 32 5.336 10.130 3.937 1.00 0.00 H new ATOM 434 N THR A 33 8.610 11.465 5.235 1.00 0.00 N ATOM 435 CA THR A 33 8.949 12.626 6.048 1.00 0.00 C ATOM 436 C THR A 33 8.979 13.897 5.206 1.00 0.00 C ATOM 437 O THR A 33 9.573 13.925 4.129 1.00 0.00 O ATOM 438 CB THR A 33 10.314 12.450 6.739 1.00 0.00 C ATOM 439 OG1 THR A 33 10.679 13.657 7.417 1.00 0.00 O ATOM 440 CG2 THR A 33 11.389 12.084 5.728 1.00 0.00 C ATOM 0 H THR A 33 9.260 11.282 4.470 1.00 0.00 H new ATOM 0 HA THR A 33 8.174 12.715 6.809 1.00 0.00 H new ATOM 0 HB THR A 33 10.228 11.640 7.463 1.00 0.00 H new ATOM 0 HG1 THR A 33 11.547 13.536 7.855 1.00 0.00 H new ATOM 0 HG21 THR A 33 12.344 11.965 6.240 1.00 0.00 H new ATOM 0 HG22 THR A 33 11.122 11.149 5.236 1.00 0.00 H new ATOM 0 HG23 THR A 33 11.473 12.875 4.983 1.00 0.00 H new ATOM 448 N GLY A 34 8.334 14.947 5.704 1.00 0.00 N ATOM 449 CA GLY A 34 8.300 16.207 4.985 1.00 0.00 C ATOM 450 C GLY A 34 7.385 17.224 5.638 1.00 0.00 C ATOM 451 O GLY A 34 6.740 16.931 6.645 1.00 0.00 O ATOM 0 H GLY A 34 7.834 14.948 6.593 1.00 0.00 H new ATOM 0 HA2 GLY A 34 9.309 16.616 4.927 1.00 0.00 H new ATOM 0 HA3 GLY A 34 7.969 16.029 3.962 1.00 0.00 H new ATOM 455 N ASP A 35 7.330 18.421 5.066 1.00 0.00 N ATOM 456 CA ASP A 35 6.488 19.485 5.599 1.00 0.00 C ATOM 457 C ASP A 35 5.874 20.310 4.472 1.00 0.00 C ATOM 458 O ASP A 35 6.573 20.856 3.618 1.00 0.00 O ATOM 459 CB ASP A 35 7.299 20.391 6.526 1.00 0.00 C ATOM 460 CG ASP A 35 6.439 21.425 7.225 1.00 0.00 C ATOM 461 OD1 ASP A 35 6.169 22.481 6.615 1.00 0.00 O ATOM 462 OD2 ASP A 35 6.036 21.179 8.381 1.00 0.00 O ATOM 0 H ASP A 35 7.859 18.679 4.233 1.00 0.00 H new ATOM 0 HA ASP A 35 5.681 19.024 6.169 1.00 0.00 H new ATOM 0 HB2 ASP A 35 7.807 19.780 7.273 1.00 0.00 H new ATOM 0 HB3 ASP A 35 8.073 20.897 5.949 1.00 0.00 H new ATOM 467 N PRO A 36 4.536 20.401 4.466 1.00 0.00 N ATOM 468 CA PRO A 36 3.694 19.755 5.476 1.00 0.00 C ATOM 469 C PRO A 36 3.688 18.236 5.340 1.00 0.00 C ATOM 470 O PRO A 36 4.344 17.679 4.458 1.00 0.00 O ATOM 471 CB PRO A 36 2.301 20.322 5.192 1.00 0.00 C ATOM 472 CG PRO A 36 2.332 20.702 3.752 1.00 0.00 C ATOM 473 CD PRO A 36 3.742 21.143 3.472 1.00 0.00 C ATOM 0 HA PRO A 36 4.050 19.949 6.488 1.00 0.00 H new ATOM 0 HB2 PRO A 36 1.525 19.582 5.389 1.00 0.00 H new ATOM 0 HB3 PRO A 36 2.088 21.184 5.824 1.00 0.00 H new ATOM 0 HG2 PRO A 36 2.054 19.859 3.120 1.00 0.00 H new ATOM 0 HG3 PRO A 36 1.623 21.504 3.544 1.00 0.00 H new ATOM 0 HD2 PRO A 36 4.044 20.899 2.453 1.00 0.00 H new ATOM 0 HD3 PRO A 36 3.857 22.221 3.589 1.00 0.00 H new ATOM 481 N LEU A 37 2.944 17.571 6.217 1.00 0.00 N ATOM 482 CA LEU A 37 2.853 16.115 6.194 1.00 0.00 C ATOM 483 C LEU A 37 2.245 15.628 4.883 1.00 0.00 C ATOM 484 O LEU A 37 1.139 16.012 4.502 1.00 0.00 O ATOM 485 CB LEU A 37 2.014 15.618 7.373 1.00 0.00 C ATOM 486 CG LEU A 37 2.370 14.233 7.913 1.00 0.00 C ATOM 487 CD1 LEU A 37 2.114 13.167 6.858 1.00 0.00 C ATOM 488 CD2 LEU A 37 3.820 14.195 8.372 1.00 0.00 C ATOM 0 H LEU A 37 2.395 18.016 6.952 1.00 0.00 H new ATOM 0 HA LEU A 37 3.862 15.712 6.278 1.00 0.00 H new ATOM 0 HB2 LEU A 37 2.105 16.338 8.187 1.00 0.00 H new ATOM 0 HB3 LEU A 37 0.967 15.610 7.070 1.00 0.00 H new ATOM 0 HG LEU A 37 1.733 14.025 8.773 1.00 0.00 H new ATOM 0 HD11 LEU A 37 2.373 12.188 7.260 1.00 0.00 H new ATOM 0 HD12 LEU A 37 1.061 13.177 6.578 1.00 0.00 H new ATOM 0 HD13 LEU A 37 2.725 13.371 5.979 1.00 0.00 H new ATOM 0 HD21 LEU A 37 4.055 13.201 8.753 1.00 0.00 H new ATOM 0 HD22 LEU A 37 4.474 14.425 7.531 1.00 0.00 H new ATOM 0 HD23 LEU A 37 3.971 14.931 9.161 1.00 0.00 H new ATOM 500 N PRO A 38 2.983 14.760 4.174 1.00 0.00 N ATOM 501 CA PRO A 38 2.536 14.199 2.896 1.00 0.00 C ATOM 502 C PRO A 38 1.374 13.225 3.065 1.00 0.00 C ATOM 503 O PRO A 38 1.328 12.460 4.028 1.00 0.00 O ATOM 504 CB PRO A 38 3.776 13.468 2.376 1.00 0.00 C ATOM 505 CG PRO A 38 4.560 13.136 3.598 1.00 0.00 C ATOM 506 CD PRO A 38 4.311 14.259 4.568 1.00 0.00 C ATOM 0 HA PRO A 38 2.165 14.969 2.220 1.00 0.00 H new ATOM 0 HB2 PRO A 38 3.503 12.568 1.824 1.00 0.00 H new ATOM 0 HB3 PRO A 38 4.350 14.097 1.696 1.00 0.00 H new ATOM 0 HG2 PRO A 38 4.243 12.181 4.017 1.00 0.00 H new ATOM 0 HG3 PRO A 38 5.622 13.047 3.368 1.00 0.00 H new ATOM 0 HD2 PRO A 38 4.318 13.908 5.600 1.00 0.00 H new ATOM 0 HD3 PRO A 38 5.073 15.035 4.490 1.00 0.00 H new ATOM 514 N VAL A 39 0.438 13.258 2.122 1.00 0.00 N ATOM 515 CA VAL A 39 -0.722 12.377 2.165 1.00 0.00 C ATOM 516 C VAL A 39 -0.413 11.028 1.526 1.00 0.00 C ATOM 517 O VAL A 39 -0.253 10.929 0.309 1.00 0.00 O ATOM 518 CB VAL A 39 -1.932 13.007 1.450 1.00 0.00 C ATOM 519 CG1 VAL A 39 -3.125 12.063 1.486 1.00 0.00 C ATOM 520 CG2 VAL A 39 -2.283 14.348 2.076 1.00 0.00 C ATOM 0 H VAL A 39 0.461 13.886 1.319 1.00 0.00 H new ATOM 0 HA VAL A 39 -0.967 12.229 3.217 1.00 0.00 H new ATOM 0 HB VAL A 39 -1.666 13.178 0.407 1.00 0.00 H new ATOM 0 HG11 VAL A 39 -3.970 12.525 0.976 1.00 0.00 H new ATOM 0 HG12 VAL A 39 -2.866 11.130 0.986 1.00 0.00 H new ATOM 0 HG13 VAL A 39 -3.395 11.857 2.522 1.00 0.00 H new ATOM 0 HG21 VAL A 39 -3.140 14.778 1.558 1.00 0.00 H new ATOM 0 HG22 VAL A 39 -2.529 14.205 3.128 1.00 0.00 H new ATOM 0 HG23 VAL A 39 -1.431 15.023 1.991 1.00 0.00 H new ATOM 530 N ILE A 40 -0.330 9.993 2.354 1.00 0.00 N ATOM 531 CA ILE A 40 -0.041 8.649 1.869 1.00 0.00 C ATOM 532 C ILE A 40 -1.181 8.118 1.007 1.00 0.00 C ATOM 533 O ILE A 40 -2.319 8.006 1.464 1.00 0.00 O ATOM 534 CB ILE A 40 0.206 7.671 3.033 1.00 0.00 C ATOM 535 CG1 ILE A 40 1.384 8.145 3.885 1.00 0.00 C ATOM 536 CG2 ILE A 40 0.460 6.268 2.501 1.00 0.00 C ATOM 537 CD1 ILE A 40 2.697 8.180 3.135 1.00 0.00 C ATOM 0 H ILE A 40 -0.459 10.059 3.364 1.00 0.00 H new ATOM 0 HA ILE A 40 0.864 8.720 1.266 1.00 0.00 H new ATOM 0 HB ILE A 40 -0.684 7.645 3.661 1.00 0.00 H new ATOM 0 HG12 ILE A 40 1.167 9.142 4.268 1.00 0.00 H new ATOM 0 HG13 ILE A 40 1.485 7.487 4.748 1.00 0.00 H new ATOM 0 HG21 ILE A 40 0.633 5.588 3.335 1.00 0.00 H new ATOM 0 HG22 ILE A 40 -0.407 5.932 1.933 1.00 0.00 H new ATOM 0 HG23 ILE A 40 1.337 6.278 1.853 1.00 0.00 H new ATOM 0 HD11 ILE A 40 3.487 8.526 3.801 1.00 0.00 H new ATOM 0 HD12 ILE A 40 2.937 7.180 2.775 1.00 0.00 H new ATOM 0 HD13 ILE A 40 2.614 8.860 2.287 1.00 0.00 H new ATOM 549 N SER A 41 -0.869 7.792 -0.243 1.00 0.00 N ATOM 550 CA SER A 41 -1.868 7.275 -1.171 1.00 0.00 C ATOM 551 C SER A 41 -1.440 5.921 -1.731 1.00 0.00 C ATOM 552 O SER A 41 -0.409 5.374 -1.341 1.00 0.00 O ATOM 553 CB SER A 41 -2.093 8.265 -2.315 1.00 0.00 C ATOM 554 OG SER A 41 -2.694 9.459 -1.846 1.00 0.00 O ATOM 0 H SER A 41 0.068 7.877 -0.637 1.00 0.00 H new ATOM 0 HA SER A 41 -2.802 7.144 -0.625 1.00 0.00 H new ATOM 0 HB2 SER A 41 -1.141 8.497 -2.792 1.00 0.00 H new ATOM 0 HB3 SER A 41 -2.728 7.809 -3.075 1.00 0.00 H new ATOM 0 HG SER A 41 -2.825 10.076 -2.596 1.00 0.00 H new ATOM 560 N TRP A 42 -2.241 5.387 -2.646 1.00 0.00 N ATOM 561 CA TRP A 42 -1.946 4.098 -3.260 1.00 0.00 C ATOM 562 C TRP A 42 -2.557 4.007 -4.655 1.00 0.00 C ATOM 563 O TRP A 42 -3.705 4.397 -4.867 1.00 0.00 O ATOM 564 CB TRP A 42 -2.473 2.960 -2.384 1.00 0.00 C ATOM 565 CG TRP A 42 -1.815 2.892 -1.040 1.00 0.00 C ATOM 566 CD1 TRP A 42 -2.216 3.523 0.103 1.00 0.00 C ATOM 567 CD2 TRP A 42 -0.637 2.152 -0.699 1.00 0.00 C ATOM 568 NE1 TRP A 42 -1.359 3.221 1.133 1.00 0.00 N ATOM 569 CE2 TRP A 42 -0.382 2.381 0.667 1.00 0.00 C ATOM 570 CE3 TRP A 42 0.226 1.317 -1.414 1.00 0.00 C ATOM 571 CZ2 TRP A 42 0.699 1.805 1.329 1.00 0.00 C ATOM 572 CZ3 TRP A 42 1.299 0.747 -0.756 1.00 0.00 C ATOM 573 CH2 TRP A 42 1.527 0.992 0.604 1.00 0.00 C ATOM 0 H TRP A 42 -3.099 5.826 -2.979 1.00 0.00 H new ATOM 0 HA TRP A 42 -0.864 4.006 -3.351 1.00 0.00 H new ATOM 0 HB2 TRP A 42 -3.548 3.083 -2.249 1.00 0.00 H new ATOM 0 HB3 TRP A 42 -2.323 2.013 -2.902 1.00 0.00 H new ATOM 0 HD1 TRP A 42 -3.080 4.165 0.185 1.00 0.00 H new ATOM 0 HE1 TRP A 42 -1.437 3.566 2.090 1.00 0.00 H new ATOM 0 HE3 TRP A 42 0.057 1.121 -2.463 1.00 0.00 H new ATOM 0 HZ2 TRP A 42 0.878 1.993 2.377 1.00 0.00 H new ATOM 0 HZ3 TRP A 42 1.973 0.102 -1.300 1.00 0.00 H new ATOM 0 HH2 TRP A 42 2.373 0.530 1.090 1.00 0.00 H new ATOM 584 N LEU A 43 -1.782 3.489 -5.602 1.00 0.00 N ATOM 585 CA LEU A 43 -2.248 3.347 -6.977 1.00 0.00 C ATOM 586 C LEU A 43 -2.155 1.895 -7.436 1.00 0.00 C ATOM 587 O LEU A 43 -1.062 1.344 -7.570 1.00 0.00 O ATOM 588 CB LEU A 43 -1.429 4.242 -7.909 1.00 0.00 C ATOM 589 CG LEU A 43 -1.615 5.748 -7.728 1.00 0.00 C ATOM 590 CD1 LEU A 43 -0.600 6.516 -8.561 1.00 0.00 C ATOM 591 CD2 LEU A 43 -3.032 6.159 -8.098 1.00 0.00 C ATOM 0 H LEU A 43 -0.829 3.161 -5.443 1.00 0.00 H new ATOM 0 HA LEU A 43 -3.293 3.654 -7.014 1.00 0.00 H new ATOM 0 HB2 LEU A 43 -0.374 4.007 -7.770 1.00 0.00 H new ATOM 0 HB3 LEU A 43 -1.680 3.986 -8.938 1.00 0.00 H new ATOM 0 HG LEU A 43 -1.450 5.991 -6.678 1.00 0.00 H new ATOM 0 HD11 LEU A 43 -0.748 7.587 -8.419 1.00 0.00 H new ATOM 0 HD12 LEU A 43 0.408 6.244 -8.247 1.00 0.00 H new ATOM 0 HD13 LEU A 43 -0.732 6.268 -9.614 1.00 0.00 H new ATOM 0 HD21 LEU A 43 -3.146 7.235 -7.963 1.00 0.00 H new ATOM 0 HD22 LEU A 43 -3.225 5.902 -9.139 1.00 0.00 H new ATOM 0 HD23 LEU A 43 -3.742 5.636 -7.457 1.00 0.00 H new ATOM 603 N LYS A 44 -3.308 1.281 -7.677 1.00 0.00 N ATOM 604 CA LYS A 44 -3.358 -0.106 -8.125 1.00 0.00 C ATOM 605 C LYS A 44 -3.168 -0.197 -9.636 1.00 0.00 C ATOM 606 O LYS A 44 -4.102 0.034 -10.402 1.00 0.00 O ATOM 607 CB LYS A 44 -4.691 -0.743 -7.728 1.00 0.00 C ATOM 608 CG LYS A 44 -4.633 -2.257 -7.620 1.00 0.00 C ATOM 609 CD LYS A 44 -6.014 -2.854 -7.407 1.00 0.00 C ATOM 610 CE LYS A 44 -5.957 -4.371 -7.309 1.00 0.00 C ATOM 611 NZ LYS A 44 -5.478 -4.823 -5.973 1.00 0.00 N ATOM 0 H LYS A 44 -4.221 1.722 -7.570 1.00 0.00 H new ATOM 0 HA LYS A 44 -2.545 -0.648 -7.642 1.00 0.00 H new ATOM 0 HB2 LYS A 44 -5.010 -0.331 -6.771 1.00 0.00 H new ATOM 0 HB3 LYS A 44 -5.448 -0.468 -8.462 1.00 0.00 H new ATOM 0 HG2 LYS A 44 -4.193 -2.671 -8.527 1.00 0.00 H new ATOM 0 HG3 LYS A 44 -3.982 -2.539 -6.792 1.00 0.00 H new ATOM 0 HD2 LYS A 44 -6.451 -2.446 -6.496 1.00 0.00 H new ATOM 0 HD3 LYS A 44 -6.667 -2.566 -8.231 1.00 0.00 H new ATOM 0 HE2 LYS A 44 -6.947 -4.785 -7.499 1.00 0.00 H new ATOM 0 HE3 LYS A 44 -5.295 -4.760 -8.083 1.00 0.00 H new ATOM 0 HZ1 LYS A 44 -5.054 -5.769 -6.058 1.00 0.00 H new ATOM 0 HZ2 LYS A 44 -4.765 -4.155 -5.616 1.00 0.00 H new ATOM 0 HZ3 LYS A 44 -6.279 -4.861 -5.311 1.00 0.00 H new ATOM 625 N GLU A 45 -1.954 -0.537 -10.056 1.00 0.00 N ATOM 626 CA GLU A 45 -1.643 -0.659 -11.475 1.00 0.00 C ATOM 627 C GLU A 45 -1.873 0.665 -12.198 1.00 0.00 C ATOM 628 O GLU A 45 -2.469 0.702 -13.274 1.00 0.00 O ATOM 629 CB GLU A 45 -2.497 -1.757 -12.114 1.00 0.00 C ATOM 630 CG GLU A 45 -2.065 -3.163 -11.734 1.00 0.00 C ATOM 631 CD GLU A 45 -2.447 -4.193 -12.779 1.00 0.00 C ATOM 632 OE1 GLU A 45 -1.682 -4.362 -13.752 1.00 0.00 O ATOM 633 OE2 GLU A 45 -3.509 -4.830 -12.624 1.00 0.00 O ATOM 0 H GLU A 45 -1.170 -0.733 -9.434 1.00 0.00 H new ATOM 0 HA GLU A 45 -0.590 -0.926 -11.569 1.00 0.00 H new ATOM 0 HB2 GLU A 45 -3.537 -1.614 -11.820 1.00 0.00 H new ATOM 0 HB3 GLU A 45 -2.455 -1.654 -13.198 1.00 0.00 H new ATOM 0 HG2 GLU A 45 -0.985 -3.181 -11.590 1.00 0.00 H new ATOM 0 HG3 GLU A 45 -2.518 -3.433 -10.780 1.00 0.00 H new ATOM 640 N GLY A 46 -1.396 1.751 -11.598 1.00 0.00 N ATOM 641 CA GLY A 46 -1.559 3.062 -12.198 1.00 0.00 C ATOM 642 C GLY A 46 -3.005 3.518 -12.210 1.00 0.00 C ATOM 643 O GLY A 46 -3.488 4.047 -13.212 1.00 0.00 O ATOM 0 H GLY A 46 -0.900 1.746 -10.707 1.00 0.00 H new ATOM 0 HA2 GLY A 46 -0.957 3.787 -11.650 1.00 0.00 H new ATOM 0 HA3 GLY A 46 -1.179 3.040 -13.220 1.00 0.00 H new ATOM 647 N PHE A 47 -3.698 3.311 -11.096 1.00 0.00 N ATOM 648 CA PHE A 47 -5.099 3.702 -10.983 1.00 0.00 C ATOM 649 C PHE A 47 -5.479 3.949 -9.526 1.00 0.00 C ATOM 650 O PHE A 47 -4.859 3.408 -8.610 1.00 0.00 O ATOM 651 CB PHE A 47 -6.002 2.622 -11.582 1.00 0.00 C ATOM 652 CG PHE A 47 -6.186 2.749 -13.067 1.00 0.00 C ATOM 653 CD1 PHE A 47 -7.065 3.683 -13.591 1.00 0.00 C ATOM 654 CD2 PHE A 47 -5.481 1.935 -13.938 1.00 0.00 C ATOM 655 CE1 PHE A 47 -7.237 3.804 -14.957 1.00 0.00 C ATOM 656 CE2 PHE A 47 -5.648 2.052 -15.305 1.00 0.00 C ATOM 657 CZ PHE A 47 -6.528 2.986 -15.815 1.00 0.00 C ATOM 0 H PHE A 47 -3.313 2.875 -10.258 1.00 0.00 H new ATOM 0 HA PHE A 47 -5.237 4.630 -11.538 1.00 0.00 H new ATOM 0 HB2 PHE A 47 -5.580 1.642 -11.359 1.00 0.00 H new ATOM 0 HB3 PHE A 47 -6.978 2.666 -11.098 1.00 0.00 H new ATOM 0 HD1 PHE A 47 -7.622 4.324 -12.924 1.00 0.00 H new ATOM 0 HD2 PHE A 47 -4.793 1.201 -13.545 1.00 0.00 H new ATOM 0 HE1 PHE A 47 -7.925 4.537 -15.353 1.00 0.00 H new ATOM 0 HE2 PHE A 47 -5.090 1.413 -15.974 1.00 0.00 H new ATOM 0 HZ PHE A 47 -6.662 3.077 -16.883 1.00 0.00 H new ATOM 667 N THR A 48 -6.503 4.771 -9.319 1.00 0.00 N ATOM 668 CA THR A 48 -6.966 5.092 -7.975 1.00 0.00 C ATOM 669 C THR A 48 -7.199 3.826 -7.157 1.00 0.00 C ATOM 670 O THR A 48 -7.722 2.834 -7.665 1.00 0.00 O ATOM 671 CB THR A 48 -8.268 5.913 -8.010 1.00 0.00 C ATOM 672 OG1 THR A 48 -8.598 6.365 -6.692 1.00 0.00 O ATOM 673 CG2 THR A 48 -9.415 5.086 -8.571 1.00 0.00 C ATOM 0 H THR A 48 -7.028 5.227 -10.066 1.00 0.00 H new ATOM 0 HA THR A 48 -6.183 5.687 -7.505 1.00 0.00 H new ATOM 0 HB THR A 48 -8.111 6.774 -8.660 1.00 0.00 H new ATOM 0 HG1 THR A 48 -9.426 6.888 -6.723 1.00 0.00 H new ATOM 0 HG21 THR A 48 -10.324 5.687 -8.586 1.00 0.00 H new ATOM 0 HG22 THR A 48 -9.173 4.769 -9.585 1.00 0.00 H new ATOM 0 HG23 THR A 48 -9.571 4.208 -7.944 1.00 0.00 H new ATOM 681 N PHE A 49 -6.808 3.868 -5.887 1.00 0.00 N ATOM 682 CA PHE A 49 -6.975 2.724 -4.999 1.00 0.00 C ATOM 683 C PHE A 49 -6.622 3.096 -3.561 1.00 0.00 C ATOM 684 O PHE A 49 -5.651 3.805 -3.297 1.00 0.00 O ATOM 685 CB PHE A 49 -6.101 1.558 -5.464 1.00 0.00 C ATOM 686 CG PHE A 49 -6.314 0.297 -4.677 1.00 0.00 C ATOM 687 CD1 PHE A 49 -5.649 0.092 -3.478 1.00 0.00 C ATOM 688 CD2 PHE A 49 -7.179 -0.684 -5.135 1.00 0.00 C ATOM 689 CE1 PHE A 49 -5.843 -1.067 -2.752 1.00 0.00 C ATOM 690 CE2 PHE A 49 -7.377 -1.846 -4.412 1.00 0.00 C ATOM 691 CZ PHE A 49 -6.709 -2.037 -3.219 1.00 0.00 C ATOM 0 H PHE A 49 -6.374 4.681 -5.451 1.00 0.00 H new ATOM 0 HA PHE A 49 -8.021 2.420 -5.032 1.00 0.00 H new ATOM 0 HB2 PHE A 49 -6.305 1.359 -6.516 1.00 0.00 H new ATOM 0 HB3 PHE A 49 -5.053 1.849 -5.392 1.00 0.00 H new ATOM 0 HD1 PHE A 49 -4.972 0.847 -3.107 1.00 0.00 H new ATOM 0 HD2 PHE A 49 -7.705 -0.539 -6.067 1.00 0.00 H new ATOM 0 HE1 PHE A 49 -5.318 -1.215 -1.820 1.00 0.00 H new ATOM 0 HE2 PHE A 49 -8.053 -2.603 -4.780 1.00 0.00 H new ATOM 0 HZ PHE A 49 -6.863 -2.943 -2.652 1.00 0.00 H new ATOM 701 N PRO A 50 -7.430 2.607 -2.609 1.00 0.00 N ATOM 702 CA PRO A 50 -8.590 1.762 -2.911 1.00 0.00 C ATOM 703 C PRO A 50 -9.708 2.537 -3.599 1.00 0.00 C ATOM 704 O PRO A 50 -10.244 2.101 -4.617 1.00 0.00 O ATOM 705 CB PRO A 50 -9.045 1.277 -1.533 1.00 0.00 C ATOM 706 CG PRO A 50 -8.562 2.321 -0.586 1.00 0.00 C ATOM 707 CD PRO A 50 -7.275 2.841 -1.164 1.00 0.00 C ATOM 0 HA PRO A 50 -8.338 0.955 -3.600 1.00 0.00 H new ATOM 0 HB2 PRO A 50 -10.129 1.173 -1.488 1.00 0.00 H new ATOM 0 HB3 PRO A 50 -8.621 0.301 -1.297 1.00 0.00 H new ATOM 0 HG2 PRO A 50 -9.294 3.122 -0.481 1.00 0.00 H new ATOM 0 HG3 PRO A 50 -8.403 1.903 0.408 1.00 0.00 H new ATOM 0 HD2 PRO A 50 -7.133 3.899 -0.941 1.00 0.00 H new ATOM 0 HD3 PRO A 50 -6.411 2.312 -0.762 1.00 0.00 H new ATOM 715 N GLY A 51 -10.056 3.690 -3.037 1.00 0.00 N ATOM 716 CA GLY A 51 -11.109 4.508 -3.610 1.00 0.00 C ATOM 717 C GLY A 51 -12.402 4.422 -2.825 1.00 0.00 C ATOM 718 O GLY A 51 -12.417 4.645 -1.614 1.00 0.00 O ATOM 0 H GLY A 51 -9.627 4.073 -2.194 1.00 0.00 H new ATOM 0 HA2 GLY A 51 -10.779 5.546 -3.647 1.00 0.00 H new ATOM 0 HA3 GLY A 51 -11.290 4.194 -4.638 1.00 0.00 H new ATOM 772 N ARG A 55 -14.331 -2.712 1.774 1.00 0.00 N ATOM 773 CA ARG A 55 -13.405 -3.778 2.139 1.00 0.00 C ATOM 774 C ARG A 55 -12.023 -3.212 2.454 1.00 0.00 C ATOM 775 O ARG A 55 -11.458 -3.482 3.513 1.00 0.00 O ATOM 776 CB ARG A 55 -13.303 -4.803 1.008 1.00 0.00 C ATOM 777 CG ARG A 55 -14.543 -5.669 0.858 1.00 0.00 C ATOM 778 CD ARG A 55 -14.226 -6.980 0.156 1.00 0.00 C ATOM 779 NE ARG A 55 -13.362 -6.784 -1.005 1.00 0.00 N ATOM 780 CZ ARG A 55 -13.131 -7.723 -1.916 1.00 0.00 C ATOM 781 NH1 ARG A 55 -13.697 -8.917 -1.800 1.00 0.00 N ATOM 782 NH2 ARG A 55 -12.333 -7.469 -2.945 1.00 0.00 N ATOM 0 HA ARG A 55 -13.790 -4.270 3.032 1.00 0.00 H new ATOM 0 HB2 ARG A 55 -13.120 -4.279 0.070 1.00 0.00 H new ATOM 0 HB3 ARG A 55 -12.441 -5.445 1.188 1.00 0.00 H new ATOM 0 HG2 ARG A 55 -14.965 -5.875 1.842 1.00 0.00 H new ATOM 0 HG3 ARG A 55 -15.301 -5.126 0.293 1.00 0.00 H new ATOM 0 HD2 ARG A 55 -13.742 -7.659 0.858 1.00 0.00 H new ATOM 0 HD3 ARG A 55 -15.154 -7.456 -0.159 1.00 0.00 H new ATOM 0 HE ARG A 55 -12.911 -5.877 -1.123 1.00 0.00 H new ATOM 0 HH11 ARG A 55 -14.311 -9.116 -1.010 1.00 0.00 H new ATOM 0 HH12 ARG A 55 -13.518 -9.636 -2.501 1.00 0.00 H new ATOM 0 HH21 ARG A 55 -11.896 -6.552 -3.037 1.00 0.00 H new ATOM 0 HH22 ARG A 55 -12.156 -8.191 -3.644 1.00 0.00 H new ATOM 796 N ALA A 56 -11.485 -2.427 1.526 1.00 0.00 N ATOM 797 CA ALA A 56 -10.171 -1.823 1.705 1.00 0.00 C ATOM 798 C ALA A 56 -10.254 -0.576 2.579 1.00 0.00 C ATOM 799 O ALA A 56 -11.328 0.000 2.756 1.00 0.00 O ATOM 800 CB ALA A 56 -9.557 -1.484 0.355 1.00 0.00 C ATOM 0 H ALA A 56 -11.939 -2.195 0.643 1.00 0.00 H new ATOM 0 HA ALA A 56 -9.532 -2.547 2.211 1.00 0.00 H new ATOM 0 HB1 ALA A 56 -8.576 -1.034 0.504 1.00 0.00 H new ATOM 0 HB2 ALA A 56 -9.452 -2.394 -0.236 1.00 0.00 H new ATOM 0 HB3 ALA A 56 -10.202 -0.781 -0.172 1.00 0.00 H new ATOM 806 N THR A 57 -9.114 -0.163 3.123 1.00 0.00 N ATOM 807 CA THR A 57 -9.058 1.014 3.980 1.00 0.00 C ATOM 808 C THR A 57 -7.618 1.448 4.227 1.00 0.00 C ATOM 809 O THR A 57 -6.682 0.681 3.999 1.00 0.00 O ATOM 810 CB THR A 57 -9.744 0.756 5.335 1.00 0.00 C ATOM 811 OG1 THR A 57 -9.848 1.979 6.072 1.00 0.00 O ATOM 812 CG2 THR A 57 -8.966 -0.267 6.149 1.00 0.00 C ATOM 0 H THR A 57 -8.216 -0.627 2.985 1.00 0.00 H new ATOM 0 HA THR A 57 -9.589 1.810 3.458 1.00 0.00 H new ATOM 0 HB THR A 57 -10.742 0.362 5.143 1.00 0.00 H new ATOM 0 HG1 THR A 57 -10.287 1.807 6.931 1.00 0.00 H new ATOM 0 HG21 THR A 57 -9.469 -0.433 7.101 1.00 0.00 H new ATOM 0 HG22 THR A 57 -8.913 -1.206 5.598 1.00 0.00 H new ATOM 0 HG23 THR A 57 -7.957 0.104 6.331 1.00 0.00 H new ATOM 820 N ILE A 58 -7.447 2.680 4.693 1.00 0.00 N ATOM 821 CA ILE A 58 -6.120 3.213 4.972 1.00 0.00 C ATOM 822 C ILE A 58 -6.027 3.739 6.401 1.00 0.00 C ATOM 823 O ILE A 58 -6.871 4.519 6.841 1.00 0.00 O ATOM 824 CB ILE A 58 -5.752 4.346 3.996 1.00 0.00 C ATOM 825 CG1 ILE A 58 -5.861 3.859 2.550 1.00 0.00 C ATOM 826 CG2 ILE A 58 -4.348 4.858 4.284 1.00 0.00 C ATOM 827 CD1 ILE A 58 -5.835 4.977 1.532 1.00 0.00 C ATOM 0 H ILE A 58 -8.211 3.328 4.885 1.00 0.00 H new ATOM 0 HA ILE A 58 -5.417 2.390 4.844 1.00 0.00 H new ATOM 0 HB ILE A 58 -6.454 5.168 4.136 1.00 0.00 H new ATOM 0 HG12 ILE A 58 -5.040 3.172 2.344 1.00 0.00 H new ATOM 0 HG13 ILE A 58 -6.786 3.295 2.434 1.00 0.00 H new ATOM 0 HG21 ILE A 58 -4.102 5.658 3.586 1.00 0.00 H new ATOM 0 HG22 ILE A 58 -4.302 5.239 5.304 1.00 0.00 H new ATOM 0 HG23 ILE A 58 -3.633 4.044 4.168 1.00 0.00 H new ATOM 0 HD11 ILE A 58 -5.916 4.558 0.529 1.00 0.00 H new ATOM 0 HD12 ILE A 58 -6.671 5.652 1.712 1.00 0.00 H new ATOM 0 HD13 ILE A 58 -4.898 5.528 1.620 1.00 0.00 H new ATOM 888 N GLY A 62 -1.208 5.472 7.051 1.00 0.00 N ATOM 889 CA GLY A 62 -1.114 5.164 5.636 1.00 0.00 C ATOM 890 C GLY A 62 -1.152 3.674 5.363 1.00 0.00 C ATOM 891 O GLY A 62 -1.391 3.247 4.233 1.00 0.00 O ATOM 0 HA2 GLY A 62 -1.935 5.648 5.107 1.00 0.00 H new ATOM 0 HA3 GLY A 62 -0.188 5.580 5.238 1.00 0.00 H new ATOM 895 N THR A 63 -0.914 2.877 6.401 1.00 0.00 N ATOM 896 CA THR A 63 -0.919 1.426 6.267 1.00 0.00 C ATOM 897 C THR A 63 -2.161 0.946 5.526 1.00 0.00 C ATOM 898 O THR A 63 -3.277 1.033 6.042 1.00 0.00 O ATOM 899 CB THR A 63 -0.856 0.735 7.643 1.00 0.00 C ATOM 900 OG1 THR A 63 0.332 1.133 8.337 1.00 0.00 O ATOM 901 CG2 THR A 63 -0.877 -0.779 7.489 1.00 0.00 C ATOM 0 H THR A 63 -0.715 3.213 7.343 1.00 0.00 H new ATOM 0 HA THR A 63 -0.032 1.159 5.693 1.00 0.00 H new ATOM 0 HB THR A 63 -1.731 1.038 8.218 1.00 0.00 H new ATOM 0 HG1 THR A 63 0.364 0.691 9.211 1.00 0.00 H new ATOM 0 HG21 THR A 63 -0.832 -1.245 8.473 1.00 0.00 H new ATOM 0 HG22 THR A 63 -1.796 -1.081 6.986 1.00 0.00 H new ATOM 0 HG23 THR A 63 -0.019 -1.096 6.897 1.00 0.00 H new ATOM 909 N LEU A 64 -1.963 0.439 4.315 1.00 0.00 N ATOM 910 CA LEU A 64 -3.068 -0.057 3.502 1.00 0.00 C ATOM 911 C LEU A 64 -3.493 -1.451 3.952 1.00 0.00 C ATOM 912 O LEU A 64 -2.737 -2.413 3.819 1.00 0.00 O ATOM 913 CB LEU A 64 -2.670 -0.085 2.026 1.00 0.00 C ATOM 914 CG LEU A 64 -3.806 0.103 1.020 1.00 0.00 C ATOM 915 CD1 LEU A 64 -3.258 0.168 -0.398 1.00 0.00 C ATOM 916 CD2 LEU A 64 -4.824 -1.021 1.149 1.00 0.00 C ATOM 0 H LEU A 64 -1.047 0.360 3.874 1.00 0.00 H new ATOM 0 HA LEU A 64 -3.913 0.620 3.631 1.00 0.00 H new ATOM 0 HB2 LEU A 64 -1.928 0.695 1.856 1.00 0.00 H new ATOM 0 HB3 LEU A 64 -2.183 -1.038 1.820 1.00 0.00 H new ATOM 0 HG LEU A 64 -4.306 1.046 1.238 1.00 0.00 H new ATOM 0 HD11 LEU A 64 -4.081 0.302 -1.100 1.00 0.00 H new ATOM 0 HD12 LEU A 64 -2.568 1.007 -0.483 1.00 0.00 H new ATOM 0 HD13 LEU A 64 -2.732 -0.759 -0.628 1.00 0.00 H new ATOM 0 HD21 LEU A 64 -5.625 -0.871 0.426 1.00 0.00 H new ATOM 0 HD22 LEU A 64 -4.337 -1.977 0.958 1.00 0.00 H new ATOM 0 HD23 LEU A 64 -5.240 -1.021 2.156 1.00 0.00 H new ATOM 928 N GLN A 65 -4.708 -1.551 4.483 1.00 0.00 N ATOM 929 CA GLN A 65 -5.233 -2.828 4.951 1.00 0.00 C ATOM 930 C GLN A 65 -6.368 -3.311 4.055 1.00 0.00 C ATOM 931 O GLN A 65 -7.414 -2.668 3.960 1.00 0.00 O ATOM 932 CB GLN A 65 -5.725 -2.704 6.394 1.00 0.00 C ATOM 933 CG GLN A 65 -6.505 -3.915 6.878 1.00 0.00 C ATOM 934 CD GLN A 65 -7.390 -3.602 8.068 1.00 0.00 C ATOM 935 OE1 GLN A 65 -7.026 -3.870 9.214 1.00 0.00 O ATOM 936 NE2 GLN A 65 -8.559 -3.031 7.804 1.00 0.00 N ATOM 0 H GLN A 65 -5.346 -0.764 4.600 1.00 0.00 H new ATOM 0 HA GLN A 65 -4.426 -3.560 4.911 1.00 0.00 H new ATOM 0 HB2 GLN A 65 -4.868 -2.549 7.049 1.00 0.00 H new ATOM 0 HB3 GLN A 65 -6.355 -1.819 6.479 1.00 0.00 H new ATOM 0 HG2 GLN A 65 -7.120 -4.296 6.063 1.00 0.00 H new ATOM 0 HG3 GLN A 65 -5.807 -4.708 7.148 1.00 0.00 H new ATOM 0 HE21 GLN A 65 -8.820 -2.826 6.840 1.00 0.00 H new ATOM 0 HE22 GLN A 65 -9.196 -2.797 8.566 1.00 0.00 H new ATOM 945 N ILE A 66 -6.155 -4.447 3.399 1.00 0.00 N ATOM 946 CA ILE A 66 -7.162 -5.016 2.511 1.00 0.00 C ATOM 947 C ILE A 66 -7.676 -6.349 3.045 1.00 0.00 C ATOM 948 O ILE A 66 -6.899 -7.269 3.302 1.00 0.00 O ATOM 949 CB ILE A 66 -6.605 -5.226 1.090 1.00 0.00 C ATOM 950 CG1 ILE A 66 -6.015 -3.920 0.553 1.00 0.00 C ATOM 951 CG2 ILE A 66 -7.696 -5.741 0.164 1.00 0.00 C ATOM 952 CD1 ILE A 66 -5.086 -4.117 -0.625 1.00 0.00 C ATOM 0 H ILE A 66 -5.295 -4.991 3.466 1.00 0.00 H new ATOM 0 HA ILE A 66 -7.985 -4.302 2.469 1.00 0.00 H new ATOM 0 HB ILE A 66 -5.811 -5.972 1.133 1.00 0.00 H new ATOM 0 HG12 ILE A 66 -6.829 -3.258 0.257 1.00 0.00 H new ATOM 0 HG13 ILE A 66 -5.472 -3.419 1.354 1.00 0.00 H new ATOM 0 HG21 ILE A 66 -7.287 -5.884 -0.836 1.00 0.00 H new ATOM 0 HG22 ILE A 66 -8.074 -6.691 0.541 1.00 0.00 H new ATOM 0 HG23 ILE A 66 -8.510 -5.017 0.123 1.00 0.00 H new ATOM 0 HD11 ILE A 66 -4.705 -3.150 -0.954 1.00 0.00 H new ATOM 0 HD12 ILE A 66 -4.252 -4.754 -0.329 1.00 0.00 H new ATOM 0 HD13 ILE A 66 -5.630 -4.589 -1.443 1.00 0.00 H new ATOM 964 N LYS A 67 -8.991 -6.447 3.208 1.00 0.00 N ATOM 965 CA LYS A 67 -9.612 -7.668 3.708 1.00 0.00 C ATOM 966 C LYS A 67 -10.247 -8.460 2.570 1.00 0.00 C ATOM 967 O LYS A 67 -10.550 -7.911 1.512 1.00 0.00 O ATOM 968 CB LYS A 67 -10.669 -7.332 4.762 1.00 0.00 C ATOM 969 CG LYS A 67 -10.111 -6.600 5.971 1.00 0.00 C ATOM 970 CD LYS A 67 -10.974 -6.819 7.202 1.00 0.00 C ATOM 971 CE LYS A 67 -10.310 -6.267 8.454 1.00 0.00 C ATOM 972 NZ LYS A 67 -11.186 -6.398 9.651 1.00 0.00 N ATOM 0 H LYS A 67 -9.648 -5.695 3.001 1.00 0.00 H new ATOM 0 HA LYS A 67 -8.835 -8.281 4.164 1.00 0.00 H new ATOM 0 HB2 LYS A 67 -11.446 -6.720 4.303 1.00 0.00 H new ATOM 0 HB3 LYS A 67 -11.145 -8.255 5.094 1.00 0.00 H new ATOM 0 HG2 LYS A 67 -9.097 -6.945 6.170 1.00 0.00 H new ATOM 0 HG3 LYS A 67 -10.048 -5.534 5.755 1.00 0.00 H new ATOM 0 HD2 LYS A 67 -11.941 -6.337 7.060 1.00 0.00 H new ATOM 0 HD3 LYS A 67 -11.164 -7.885 7.329 1.00 0.00 H new ATOM 0 HE2 LYS A 67 -9.373 -6.795 8.631 1.00 0.00 H new ATOM 0 HE3 LYS A 67 -10.061 -5.217 8.300 1.00 0.00 H new ATOM 0 HZ1 LYS A 67 -10.697 -6.010 10.483 1.00 0.00 H new ATOM 0 HZ2 LYS A 67 -12.070 -5.873 9.493 1.00 0.00 H new ATOM 0 HZ3 LYS A 67 -11.404 -7.402 9.814 1.00 0.00 H new ATOM 986 N ASN A 68 -10.447 -9.755 2.797 1.00 0.00 N ATOM 987 CA ASN A 68 -11.048 -10.623 1.790 1.00 0.00 C ATOM 988 C ASN A 68 -10.263 -10.565 0.483 1.00 0.00 C ATOM 989 O ASN A 68 -10.833 -10.351 -0.587 1.00 0.00 O ATOM 990 CB ASN A 68 -12.503 -10.220 1.542 1.00 0.00 C ATOM 991 CG ASN A 68 -13.275 -11.282 0.783 1.00 0.00 C ATOM 992 OD1 ASN A 68 -13.643 -11.088 -0.376 1.00 0.00 O ATOM 993 ND2 ASN A 68 -13.524 -12.412 1.434 1.00 0.00 N ATOM 0 H ASN A 68 -10.202 -10.226 3.668 1.00 0.00 H new ATOM 0 HA ASN A 68 -11.020 -11.646 2.165 1.00 0.00 H new ATOM 0 HB2 ASN A 68 -12.993 -10.031 2.497 1.00 0.00 H new ATOM 0 HB3 ASN A 68 -12.528 -9.286 0.981 1.00 0.00 H new ATOM 0 HD21 ASN A 68 -14.039 -13.163 0.974 1.00 0.00 H new ATOM 0 HD22 ASN A 68 -13.200 -12.530 2.394 1.00 0.00 H new ATOM 1000 N LEU A 69 -8.952 -10.757 0.578 1.00 0.00 N ATOM 1001 CA LEU A 69 -8.087 -10.727 -0.597 1.00 0.00 C ATOM 1002 C LEU A 69 -8.613 -11.660 -1.683 1.00 0.00 C ATOM 1003 O LEU A 69 -9.524 -12.454 -1.446 1.00 0.00 O ATOM 1004 CB LEU A 69 -6.660 -11.124 -0.214 1.00 0.00 C ATOM 1005 CG LEU A 69 -6.029 -10.336 0.934 1.00 0.00 C ATOM 1006 CD1 LEU A 69 -4.681 -10.929 1.311 1.00 0.00 C ATOM 1007 CD2 LEU A 69 -5.882 -8.869 0.556 1.00 0.00 C ATOM 0 H LEU A 69 -8.464 -10.935 1.456 1.00 0.00 H new ATOM 0 HA LEU A 69 -8.081 -9.710 -0.989 1.00 0.00 H new ATOM 0 HB2 LEU A 69 -6.658 -12.181 0.053 1.00 0.00 H new ATOM 0 HB3 LEU A 69 -6.026 -11.016 -1.094 1.00 0.00 H new ATOM 0 HG LEU A 69 -6.687 -10.403 1.800 1.00 0.00 H new ATOM 0 HD11 LEU A 69 -4.247 -10.355 2.130 1.00 0.00 H new ATOM 0 HD12 LEU A 69 -4.814 -11.964 1.624 1.00 0.00 H new ATOM 0 HD13 LEU A 69 -4.014 -10.893 0.450 1.00 0.00 H new ATOM 0 HD21 LEU A 69 -5.431 -8.323 1.385 1.00 0.00 H new ATOM 0 HD22 LEU A 69 -5.246 -8.782 -0.325 1.00 0.00 H new ATOM 0 HD23 LEU A 69 -6.864 -8.450 0.337 1.00 0.00 H new ATOM 1019 N ARG A 70 -8.031 -11.559 -2.874 1.00 0.00 N ATOM 1020 CA ARG A 70 -8.440 -12.395 -3.997 1.00 0.00 C ATOM 1021 C ARG A 70 -7.302 -12.551 -5.001 1.00 0.00 C ATOM 1022 O ARG A 70 -6.566 -11.602 -5.272 1.00 0.00 O ATOM 1023 CB ARG A 70 -9.666 -11.793 -4.688 1.00 0.00 C ATOM 1024 CG ARG A 70 -10.949 -11.935 -3.885 1.00 0.00 C ATOM 1025 CD ARG A 70 -12.169 -11.990 -4.791 1.00 0.00 C ATOM 1026 NE ARG A 70 -12.660 -10.656 -5.129 1.00 0.00 N ATOM 1027 CZ ARG A 70 -13.768 -10.436 -5.828 1.00 0.00 C ATOM 1028 NH1 ARG A 70 -14.496 -11.456 -6.261 1.00 0.00 N ATOM 1029 NH2 ARG A 70 -14.149 -9.194 -6.095 1.00 0.00 N ATOM 0 H ARG A 70 -7.276 -10.907 -3.086 1.00 0.00 H new ATOM 0 HA ARG A 70 -8.697 -13.381 -3.610 1.00 0.00 H new ATOM 0 HB2 ARG A 70 -9.482 -10.736 -4.879 1.00 0.00 H new ATOM 0 HB3 ARG A 70 -9.799 -12.274 -5.657 1.00 0.00 H new ATOM 0 HG2 ARG A 70 -10.903 -12.840 -3.280 1.00 0.00 H new ATOM 0 HG3 ARG A 70 -11.043 -11.096 -3.196 1.00 0.00 H new ATOM 0 HD2 ARG A 70 -11.917 -12.526 -5.706 1.00 0.00 H new ATOM 0 HD3 ARG A 70 -12.961 -12.554 -4.299 1.00 0.00 H new ATOM 0 HE ARG A 70 -12.123 -9.850 -4.811 1.00 0.00 H new ATOM 0 HH11 ARG A 70 -14.206 -12.412 -6.058 1.00 0.00 H new ATOM 0 HH12 ARG A 70 -15.346 -11.284 -6.797 1.00 0.00 H new ATOM 0 HH21 ARG A 70 -13.591 -8.407 -5.764 1.00 0.00 H new ATOM 0 HH22 ARG A 70 -15.000 -9.026 -6.632 1.00 0.00 H new ATOM 1043 N ILE A 71 -7.165 -13.754 -5.549 1.00 0.00 N ATOM 1044 CA ILE A 71 -6.117 -14.033 -6.523 1.00 0.00 C ATOM 1045 C ILE A 71 -5.978 -12.892 -7.524 1.00 0.00 C ATOM 1046 O ILE A 71 -4.925 -12.713 -8.135 1.00 0.00 O ATOM 1047 CB ILE A 71 -6.394 -15.341 -7.288 1.00 0.00 C ATOM 1048 CG1 ILE A 71 -6.526 -16.511 -6.311 1.00 0.00 C ATOM 1049 CG2 ILE A 71 -5.288 -15.609 -8.298 1.00 0.00 C ATOM 1050 CD1 ILE A 71 -5.256 -16.802 -5.542 1.00 0.00 C ATOM 0 H ILE A 71 -7.766 -14.550 -5.335 1.00 0.00 H new ATOM 0 HA ILE A 71 -5.187 -14.138 -5.964 1.00 0.00 H new ATOM 0 HB ILE A 71 -7.335 -15.236 -7.829 1.00 0.00 H new ATOM 0 HG12 ILE A 71 -7.328 -16.295 -5.605 1.00 0.00 H new ATOM 0 HG13 ILE A 71 -6.819 -17.404 -6.863 1.00 0.00 H new ATOM 0 HG21 ILE A 71 -5.498 -16.537 -8.830 1.00 0.00 H new ATOM 0 HG22 ILE A 71 -5.238 -14.785 -9.010 1.00 0.00 H new ATOM 0 HG23 ILE A 71 -4.334 -15.697 -7.778 1.00 0.00 H new ATOM 0 HD11 ILE A 71 -5.423 -17.643 -4.869 1.00 0.00 H new ATOM 0 HD12 ILE A 71 -4.456 -17.049 -6.240 1.00 0.00 H new ATOM 0 HD13 ILE A 71 -4.972 -15.924 -4.962 1.00 0.00 H new ATOM 1062 N SER A 72 -7.048 -12.120 -7.685 1.00 0.00 N ATOM 1063 CA SER A 72 -7.046 -10.995 -8.613 1.00 0.00 C ATOM 1064 C SER A 72 -6.354 -9.783 -7.998 1.00 0.00 C ATOM 1065 O SER A 72 -5.627 -9.059 -8.678 1.00 0.00 O ATOM 1066 CB SER A 72 -8.479 -10.631 -9.009 1.00 0.00 C ATOM 1067 OG SER A 72 -8.496 -9.553 -9.929 1.00 0.00 O ATOM 0 H SER A 72 -7.927 -12.253 -7.185 1.00 0.00 H new ATOM 0 HA SER A 72 -6.494 -11.293 -9.504 1.00 0.00 H new ATOM 0 HB2 SER A 72 -8.969 -11.498 -9.451 1.00 0.00 H new ATOM 0 HB3 SER A 72 -9.048 -10.363 -8.119 1.00 0.00 H new ATOM 0 HG SER A 72 -9.423 -9.341 -10.167 1.00 0.00 H new ATOM 1073 N ASP A 73 -6.584 -9.570 -6.707 1.00 0.00 N ATOM 1074 CA ASP A 73 -5.982 -8.447 -5.998 1.00 0.00 C ATOM 1075 C ASP A 73 -4.516 -8.283 -6.386 1.00 0.00 C ATOM 1076 O ASP A 73 -4.004 -7.165 -6.465 1.00 0.00 O ATOM 1077 CB ASP A 73 -6.103 -8.647 -4.487 1.00 0.00 C ATOM 1078 CG ASP A 73 -7.473 -8.266 -3.960 1.00 0.00 C ATOM 1079 OD1 ASP A 73 -8.414 -8.166 -4.775 1.00 0.00 O ATOM 1080 OD2 ASP A 73 -7.604 -8.068 -2.734 1.00 0.00 O ATOM 0 H ASP A 73 -7.183 -10.160 -6.130 1.00 0.00 H new ATOM 0 HA ASP A 73 -6.518 -7.541 -6.281 1.00 0.00 H new ATOM 0 HB2 ASP A 73 -5.901 -9.690 -4.244 1.00 0.00 H new ATOM 0 HB3 ASP A 73 -5.344 -8.049 -3.982 1.00 0.00 H new ATOM 1085 N THR A 74 -3.843 -9.404 -6.627 1.00 0.00 N ATOM 1086 CA THR A 74 -2.436 -9.385 -7.004 1.00 0.00 C ATOM 1087 C THR A 74 -2.154 -8.283 -8.020 1.00 0.00 C ATOM 1088 O THR A 74 -2.653 -8.318 -9.143 1.00 0.00 O ATOM 1089 CB THR A 74 -1.994 -10.737 -7.595 1.00 0.00 C ATOM 1090 OG1 THR A 74 -2.180 -11.778 -6.629 1.00 0.00 O ATOM 1091 CG2 THR A 74 -0.535 -10.690 -8.022 1.00 0.00 C ATOM 0 H THR A 74 -4.251 -10.337 -6.568 1.00 0.00 H new ATOM 0 HA THR A 74 -1.868 -9.191 -6.094 1.00 0.00 H new ATOM 0 HB THR A 74 -2.607 -10.942 -8.473 1.00 0.00 H new ATOM 0 HG1 THR A 74 -2.999 -12.275 -6.837 1.00 0.00 H new ATOM 0 HG21 THR A 74 -0.246 -11.656 -8.436 1.00 0.00 H new ATOM 0 HG22 THR A 74 -0.402 -9.916 -8.778 1.00 0.00 H new ATOM 0 HG23 THR A 74 0.090 -10.464 -7.158 1.00 0.00 H new ATOM 1099 N GLY A 75 -1.349 -7.305 -7.616 1.00 0.00 N ATOM 1100 CA GLY A 75 -1.014 -6.206 -8.504 1.00 0.00 C ATOM 1101 C GLY A 75 0.179 -5.409 -8.015 1.00 0.00 C ATOM 1102 O GLY A 75 0.890 -5.835 -7.104 1.00 0.00 O ATOM 0 H GLY A 75 -0.923 -7.254 -6.691 1.00 0.00 H new ATOM 0 HA2 GLY A 75 -0.802 -6.598 -9.499 1.00 0.00 H new ATOM 0 HA3 GLY A 75 -1.875 -5.544 -8.599 1.00 0.00 H new ATOM 1106 N THR A 76 0.402 -4.247 -8.622 1.00 0.00 N ATOM 1107 CA THR A 76 1.518 -3.389 -8.245 1.00 0.00 C ATOM 1108 C THR A 76 1.035 -2.164 -7.478 1.00 0.00 C ATOM 1109 O THR A 76 0.511 -1.218 -8.066 1.00 0.00 O ATOM 1110 CB THR A 76 2.313 -2.927 -9.481 1.00 0.00 C ATOM 1111 OG1 THR A 76 2.882 -4.058 -10.149 1.00 0.00 O ATOM 1112 CG2 THR A 76 3.416 -1.958 -9.083 1.00 0.00 C ATOM 0 H THR A 76 -0.176 -3.879 -9.377 1.00 0.00 H new ATOM 0 HA THR A 76 2.170 -3.982 -7.603 1.00 0.00 H new ATOM 0 HB THR A 76 1.627 -2.415 -10.156 1.00 0.00 H new ATOM 0 HG1 THR A 76 3.384 -3.756 -10.934 1.00 0.00 H new ATOM 0 HG21 THR A 76 3.964 -1.645 -9.972 1.00 0.00 H new ATOM 0 HG22 THR A 76 2.977 -1.084 -8.602 1.00 0.00 H new ATOM 0 HG23 THR A 76 4.099 -2.449 -8.390 1.00 0.00 H new ATOM 1120 N TYR A 77 1.216 -2.187 -6.162 1.00 0.00 N ATOM 1121 CA TYR A 77 0.798 -1.078 -5.314 1.00 0.00 C ATOM 1122 C TYR A 77 1.897 -0.024 -5.212 1.00 0.00 C ATOM 1123 O TYR A 77 2.974 -0.283 -4.675 1.00 0.00 O ATOM 1124 CB TYR A 77 0.432 -1.585 -3.918 1.00 0.00 C ATOM 1125 CG TYR A 77 -0.742 -2.538 -3.909 1.00 0.00 C ATOM 1126 CD1 TYR A 77 -2.046 -2.066 -4.009 1.00 0.00 C ATOM 1127 CD2 TYR A 77 -0.549 -3.909 -3.799 1.00 0.00 C ATOM 1128 CE1 TYR A 77 -3.122 -2.933 -4.000 1.00 0.00 C ATOM 1129 CE2 TYR A 77 -1.619 -4.783 -3.791 1.00 0.00 C ATOM 1130 CZ TYR A 77 -2.903 -4.290 -3.891 1.00 0.00 C ATOM 1131 OH TYR A 77 -3.972 -5.157 -3.882 1.00 0.00 O ATOM 0 H TYR A 77 1.649 -2.962 -5.660 1.00 0.00 H new ATOM 0 HA TYR A 77 -0.080 -0.619 -5.769 1.00 0.00 H new ATOM 0 HB2 TYR A 77 1.298 -2.084 -3.483 1.00 0.00 H new ATOM 0 HB3 TYR A 77 0.202 -0.732 -3.279 1.00 0.00 H new ATOM 0 HD1 TYR A 77 -2.221 -1.004 -4.095 1.00 0.00 H new ATOM 0 HD2 TYR A 77 0.455 -4.299 -3.718 1.00 0.00 H new ATOM 0 HE1 TYR A 77 -4.129 -2.550 -4.078 1.00 0.00 H new ATOM 0 HE2 TYR A 77 -1.451 -5.846 -3.707 1.00 0.00 H new ATOM 0 HH TYR A 77 -3.646 -6.078 -3.800 1.00 0.00 H new ATOM 1141 N THR A 78 1.616 1.167 -5.732 1.00 0.00 N ATOM 1142 CA THR A 78 2.579 2.260 -5.701 1.00 0.00 C ATOM 1143 C THR A 78 2.161 3.333 -4.701 1.00 0.00 C ATOM 1144 O THR A 78 1.204 4.072 -4.933 1.00 0.00 O ATOM 1145 CB THR A 78 2.741 2.905 -7.091 1.00 0.00 C ATOM 1146 OG1 THR A 78 3.367 1.982 -7.989 1.00 0.00 O ATOM 1147 CG2 THR A 78 3.571 4.177 -7.003 1.00 0.00 C ATOM 0 H THR A 78 0.729 1.399 -6.180 1.00 0.00 H new ATOM 0 HA THR A 78 3.533 1.832 -5.393 1.00 0.00 H new ATOM 0 HB THR A 78 1.750 3.161 -7.467 1.00 0.00 H new ATOM 0 HG1 THR A 78 4.327 1.939 -7.797 1.00 0.00 H new ATOM 0 HG21 THR A 78 3.672 4.615 -7.996 1.00 0.00 H new ATOM 0 HG22 THR A 78 3.077 4.889 -6.341 1.00 0.00 H new ATOM 0 HG23 THR A 78 4.559 3.940 -6.609 1.00 0.00 H new ATOM 1155 N CYS A 79 2.884 3.413 -3.590 1.00 0.00 N ATOM 1156 CA CYS A 79 2.589 4.395 -2.554 1.00 0.00 C ATOM 1157 C CYS A 79 3.106 5.775 -2.950 1.00 0.00 C ATOM 1158 O CYS A 79 4.314 5.992 -3.053 1.00 0.00 O ATOM 1159 CB CYS A 79 3.213 3.968 -1.224 1.00 0.00 C ATOM 1160 SG CYS A 79 2.460 4.754 0.237 1.00 0.00 S ATOM 0 H CYS A 79 3.679 2.809 -3.384 1.00 0.00 H new ATOM 0 HA CYS A 79 1.507 4.450 -2.439 1.00 0.00 H new ATOM 0 HB2 CYS A 79 3.128 2.886 -1.126 1.00 0.00 H new ATOM 0 HB3 CYS A 79 4.277 4.203 -1.242 1.00 0.00 H new ATOM 1165 N VAL A 80 2.183 6.706 -3.171 1.00 0.00 N ATOM 1166 CA VAL A 80 2.545 8.065 -3.555 1.00 0.00 C ATOM 1167 C VAL A 80 2.276 9.047 -2.419 1.00 0.00 C ATOM 1168 O VAL A 80 1.197 9.046 -1.827 1.00 0.00 O ATOM 1169 CB VAL A 80 1.770 8.521 -4.806 1.00 0.00 C ATOM 1170 CG1 VAL A 80 2.119 9.959 -5.156 1.00 0.00 C ATOM 1171 CG2 VAL A 80 2.057 7.593 -5.977 1.00 0.00 C ATOM 0 H VAL A 80 1.179 6.544 -3.091 1.00 0.00 H new ATOM 0 HA VAL A 80 3.611 8.056 -3.780 1.00 0.00 H new ATOM 0 HB VAL A 80 0.703 8.475 -4.588 1.00 0.00 H new ATOM 0 HG11 VAL A 80 1.562 10.263 -6.042 1.00 0.00 H new ATOM 0 HG12 VAL A 80 1.858 10.610 -4.322 1.00 0.00 H new ATOM 0 HG13 VAL A 80 3.188 10.036 -5.355 1.00 0.00 H new ATOM 0 HG21 VAL A 80 1.502 7.929 -6.852 1.00 0.00 H new ATOM 0 HG22 VAL A 80 3.124 7.605 -6.198 1.00 0.00 H new ATOM 0 HG23 VAL A 80 1.751 6.579 -5.721 1.00 0.00 H new ATOM 1181 N ALA A 81 3.265 9.882 -2.120 1.00 0.00 N ATOM 1182 CA ALA A 81 3.135 10.871 -1.057 1.00 0.00 C ATOM 1183 C ALA A 81 3.176 12.289 -1.618 1.00 0.00 C ATOM 1184 O ALA A 81 4.248 12.826 -1.898 1.00 0.00 O ATOM 1185 CB ALA A 81 4.232 10.679 -0.021 1.00 0.00 C ATOM 0 H ALA A 81 4.165 9.894 -2.599 1.00 0.00 H new ATOM 0 HA ALA A 81 2.167 10.727 -0.576 1.00 0.00 H new ATOM 0 HB1 ALA A 81 4.123 11.424 0.767 1.00 0.00 H new ATOM 0 HB2 ALA A 81 4.155 9.681 0.410 1.00 0.00 H new ATOM 0 HB3 ALA A 81 5.206 10.794 -0.497 1.00 0.00 H new ATOM 1191 N THR A 82 2.002 12.890 -1.780 1.00 0.00 N ATOM 1192 CA THR A 82 1.904 14.245 -2.309 1.00 0.00 C ATOM 1193 C THR A 82 2.012 15.279 -1.195 1.00 0.00 C ATOM 1194 O THR A 82 1.537 15.058 -0.081 1.00 0.00 O ATOM 1195 CB THR A 82 0.579 14.458 -3.066 1.00 0.00 C ATOM 1196 OG1 THR A 82 0.287 13.313 -3.875 1.00 0.00 O ATOM 1197 CG2 THR A 82 0.650 15.700 -3.942 1.00 0.00 C ATOM 0 H THR A 82 1.105 12.460 -1.553 1.00 0.00 H new ATOM 0 HA THR A 82 2.735 14.375 -3.003 1.00 0.00 H new ATOM 0 HB THR A 82 -0.215 14.595 -2.332 1.00 0.00 H new ATOM 0 HG1 THR A 82 -0.557 13.456 -4.351 1.00 0.00 H new ATOM 0 HG21 THR A 82 -0.297 15.830 -4.467 1.00 0.00 H new ATOM 0 HG22 THR A 82 0.843 16.574 -3.320 1.00 0.00 H new ATOM 0 HG23 THR A 82 1.455 15.587 -4.668 1.00 0.00 H new ATOM 1205 N SER A 83 2.639 16.410 -1.502 1.00 0.00 N ATOM 1206 CA SER A 83 2.812 17.478 -0.525 1.00 0.00 C ATOM 1207 C SER A 83 3.277 18.764 -1.202 1.00 0.00 C ATOM 1208 O SER A 83 4.020 18.728 -2.183 1.00 0.00 O ATOM 1209 CB SER A 83 3.821 17.059 0.547 1.00 0.00 C ATOM 1210 OG SER A 83 5.072 16.731 -0.031 1.00 0.00 O ATOM 0 H SER A 83 3.036 16.610 -2.420 1.00 0.00 H new ATOM 0 HA SER A 83 1.847 17.665 -0.053 1.00 0.00 H new ATOM 0 HB2 SER A 83 3.950 17.868 1.266 1.00 0.00 H new ATOM 0 HB3 SER A 83 3.436 16.201 1.098 1.00 0.00 H new ATOM 0 HG SER A 83 5.772 16.780 0.653 1.00 0.00 H new ATOM 1216 N SER A 84 2.835 19.899 -0.670 1.00 0.00 N ATOM 1217 CA SER A 84 3.202 21.197 -1.224 1.00 0.00 C ATOM 1218 C SER A 84 4.634 21.178 -1.749 1.00 0.00 C ATOM 1219 O SER A 84 4.914 21.679 -2.838 1.00 0.00 O ATOM 1220 CB SER A 84 3.049 22.289 -0.164 1.00 0.00 C ATOM 1221 OG SER A 84 1.748 22.277 0.397 1.00 0.00 O ATOM 0 H SER A 84 2.222 19.946 0.144 1.00 0.00 H new ATOM 0 HA SER A 84 2.532 21.412 -2.056 1.00 0.00 H new ATOM 0 HB2 SER A 84 3.789 22.143 0.623 1.00 0.00 H new ATOM 0 HB3 SER A 84 3.247 23.264 -0.610 1.00 0.00 H new ATOM 0 HG SER A 84 1.677 22.983 1.073 1.00 0.00 H new ATOM 1227 N SER A 85 5.537 20.597 -0.966 1.00 0.00 N ATOM 1228 CA SER A 85 6.942 20.516 -1.349 1.00 0.00 C ATOM 1229 C SER A 85 7.091 19.912 -2.742 1.00 0.00 C ATOM 1230 O SER A 85 7.619 20.547 -3.653 1.00 0.00 O ATOM 1231 CB SER A 85 7.722 19.680 -0.332 1.00 0.00 C ATOM 1232 OG SER A 85 7.783 20.333 0.924 1.00 0.00 O ATOM 0 H SER A 85 5.321 20.175 -0.063 1.00 0.00 H new ATOM 0 HA SER A 85 7.348 21.527 -1.365 1.00 0.00 H new ATOM 0 HB2 SER A 85 7.247 18.706 -0.216 1.00 0.00 H new ATOM 0 HB3 SER A 85 8.732 19.501 -0.702 1.00 0.00 H new ATOM 0 HG SER A 85 7.001 20.085 1.460 1.00 0.00 H new ATOM 1238 N GLY A 86 6.622 18.677 -2.899 1.00 0.00 N ATOM 1239 CA GLY A 86 6.712 18.007 -4.182 1.00 0.00 C ATOM 1240 C GLY A 86 5.824 16.781 -4.260 1.00 0.00 C ATOM 1241 O GLY A 86 4.633 16.850 -3.961 1.00 0.00 O ATOM 0 H GLY A 86 6.181 18.129 -2.160 1.00 0.00 H new ATOM 0 HA2 GLY A 86 6.434 18.704 -4.973 1.00 0.00 H new ATOM 0 HA3 GLY A 86 7.746 17.715 -4.364 1.00 0.00 H new ATOM 1245 N GLU A 87 6.406 15.655 -4.664 1.00 0.00 N ATOM 1246 CA GLU A 87 5.657 14.409 -4.782 1.00 0.00 C ATOM 1247 C GLU A 87 6.583 13.250 -5.138 1.00 0.00 C ATOM 1248 O GLU A 87 7.527 13.409 -5.913 1.00 0.00 O ATOM 1249 CB GLU A 87 4.562 14.545 -5.842 1.00 0.00 C ATOM 1250 CG GLU A 87 3.577 13.388 -5.851 1.00 0.00 C ATOM 1251 CD GLU A 87 2.579 13.480 -6.989 1.00 0.00 C ATOM 1252 OE1 GLU A 87 2.191 14.611 -7.348 1.00 0.00 O ATOM 1253 OE2 GLU A 87 2.187 12.420 -7.520 1.00 0.00 O ATOM 0 H GLU A 87 7.392 15.581 -4.915 1.00 0.00 H new ATOM 0 HA GLU A 87 5.195 14.200 -3.817 1.00 0.00 H new ATOM 0 HB2 GLU A 87 4.017 15.474 -5.672 1.00 0.00 H new ATOM 0 HB3 GLU A 87 5.027 14.623 -6.825 1.00 0.00 H new ATOM 0 HG2 GLU A 87 4.126 12.449 -5.929 1.00 0.00 H new ATOM 0 HG3 GLU A 87 3.040 13.366 -4.903 1.00 0.00 H new ATOM 1260 N THR A 88 6.308 12.083 -4.565 1.00 0.00 N ATOM 1261 CA THR A 88 7.116 10.897 -4.819 1.00 0.00 C ATOM 1262 C THR A 88 6.244 9.650 -4.925 1.00 0.00 C ATOM 1263 O THR A 88 5.048 9.691 -4.637 1.00 0.00 O ATOM 1264 CB THR A 88 8.164 10.683 -3.710 1.00 0.00 C ATOM 1265 OG1 THR A 88 9.114 9.693 -4.119 1.00 0.00 O ATOM 1266 CG2 THR A 88 7.499 10.250 -2.412 1.00 0.00 C ATOM 0 H THR A 88 5.531 11.934 -3.921 1.00 0.00 H new ATOM 0 HA THR A 88 7.629 11.061 -5.767 1.00 0.00 H new ATOM 0 HB THR A 88 8.677 11.629 -3.538 1.00 0.00 H new ATOM 0 HG1 THR A 88 9.778 9.564 -3.410 1.00 0.00 H new ATOM 0 HG21 THR A 88 8.259 10.105 -1.644 1.00 0.00 H new ATOM 0 HG22 THR A 88 6.798 11.019 -2.088 1.00 0.00 H new ATOM 0 HG23 THR A 88 6.963 9.315 -2.572 1.00 0.00 H new ATOM 1274 N SER A 89 6.852 8.543 -5.341 1.00 0.00 N ATOM 1275 CA SER A 89 6.130 7.285 -5.488 1.00 0.00 C ATOM 1276 C SER A 89 7.060 6.096 -5.267 1.00 0.00 C ATOM 1277 O SER A 89 8.279 6.218 -5.381 1.00 0.00 O ATOM 1278 CB SER A 89 5.493 7.197 -6.877 1.00 0.00 C ATOM 1279 OG SER A 89 6.472 6.954 -7.872 1.00 0.00 O ATOM 0 H SER A 89 7.842 8.492 -5.582 1.00 0.00 H new ATOM 0 HA SER A 89 5.344 7.255 -4.733 1.00 0.00 H new ATOM 0 HB2 SER A 89 4.751 6.399 -6.890 1.00 0.00 H new ATOM 0 HB3 SER A 89 4.967 8.126 -7.099 1.00 0.00 H new ATOM 0 HG SER A 89 6.040 6.900 -8.750 1.00 0.00 H new ATOM 1285 N TRP A 90 6.475 4.946 -4.950 1.00 0.00 N ATOM 1286 CA TRP A 90 7.250 3.734 -4.713 1.00 0.00 C ATOM 1287 C TRP A 90 6.776 2.599 -5.614 1.00 0.00 C ATOM 1288 O TRP A 90 5.878 2.781 -6.436 1.00 0.00 O ATOM 1289 CB TRP A 90 7.143 3.315 -3.245 1.00 0.00 C ATOM 1290 CG TRP A 90 8.333 2.543 -2.760 1.00 0.00 C ATOM 1291 CD1 TRP A 90 8.407 1.195 -2.554 1.00 0.00 C ATOM 1292 CD2 TRP A 90 9.617 3.075 -2.418 1.00 0.00 C ATOM 1293 NE1 TRP A 90 9.660 0.856 -2.105 1.00 0.00 N ATOM 1294 CE2 TRP A 90 10.422 1.991 -2.013 1.00 0.00 C ATOM 1295 CE3 TRP A 90 10.167 4.359 -2.415 1.00 0.00 C ATOM 1296 CZ2 TRP A 90 11.744 2.156 -1.610 1.00 0.00 C ATOM 1297 CZ3 TRP A 90 11.480 4.521 -2.015 1.00 0.00 C ATOM 1298 CH2 TRP A 90 12.257 3.425 -1.618 1.00 0.00 C ATOM 0 H TRP A 90 5.467 4.828 -4.851 1.00 0.00 H new ATOM 0 HA TRP A 90 8.293 3.948 -4.948 1.00 0.00 H new ATOM 0 HB2 TRP A 90 7.020 4.205 -2.628 1.00 0.00 H new ATOM 0 HB3 TRP A 90 6.247 2.709 -3.112 1.00 0.00 H new ATOM 0 HD1 TRP A 90 7.599 0.498 -2.720 1.00 0.00 H new ATOM 0 HE1 TRP A 90 9.973 -0.088 -1.877 1.00 0.00 H new ATOM 0 HE3 TRP A 90 9.577 5.210 -2.720 1.00 0.00 H new ATOM 0 HZ2 TRP A 90 12.344 1.312 -1.302 1.00 0.00 H new ATOM 0 HZ3 TRP A 90 11.915 5.510 -2.008 1.00 0.00 H new ATOM 0 HH2 TRP A 90 13.281 3.584 -1.312 1.00 0.00 H new ATOM 1309 N SER A 91 7.385 1.429 -5.454 1.00 0.00 N ATOM 1310 CA SER A 91 7.027 0.265 -6.256 1.00 0.00 C ATOM 1311 C SER A 91 6.967 -0.992 -5.394 1.00 0.00 C ATOM 1312 O SER A 91 7.854 -1.241 -4.578 1.00 0.00 O ATOM 1313 CB SER A 91 8.036 0.071 -7.390 1.00 0.00 C ATOM 1314 OG SER A 91 9.348 -0.092 -6.883 1.00 0.00 O ATOM 0 H SER A 91 8.129 1.262 -4.776 1.00 0.00 H new ATOM 0 HA SER A 91 6.039 0.439 -6.683 1.00 0.00 H new ATOM 0 HB2 SER A 91 7.760 -0.802 -7.981 1.00 0.00 H new ATOM 0 HB3 SER A 91 8.006 0.931 -8.059 1.00 0.00 H new ATOM 0 HG SER A 91 9.973 -0.216 -7.627 1.00 0.00 H new ATOM 1320 N ALA A 92 5.914 -1.781 -5.581 1.00 0.00 N ATOM 1321 CA ALA A 92 5.737 -3.013 -4.822 1.00 0.00 C ATOM 1322 C ALA A 92 4.877 -4.011 -5.589 1.00 0.00 C ATOM 1323 O ALA A 92 4.047 -3.627 -6.413 1.00 0.00 O ATOM 1324 CB ALA A 92 5.119 -2.713 -3.465 1.00 0.00 C ATOM 0 H ALA A 92 5.170 -1.589 -6.252 1.00 0.00 H new ATOM 0 HA ALA A 92 6.719 -3.461 -4.670 1.00 0.00 H new ATOM 0 HB1 ALA A 92 4.993 -3.642 -2.909 1.00 0.00 H new ATOM 0 HB2 ALA A 92 5.773 -2.043 -2.907 1.00 0.00 H new ATOM 0 HB3 ALA A 92 4.148 -2.239 -3.604 1.00 0.00 H new ATOM 1330 N VAL A 93 5.082 -5.296 -5.314 1.00 0.00 N ATOM 1331 CA VAL A 93 4.324 -6.350 -5.978 1.00 0.00 C ATOM 1332 C VAL A 93 3.787 -7.359 -4.970 1.00 0.00 C ATOM 1333 O VAL A 93 4.543 -8.150 -4.404 1.00 0.00 O ATOM 1334 CB VAL A 93 5.185 -7.089 -7.019 1.00 0.00 C ATOM 1335 CG1 VAL A 93 4.439 -8.294 -7.571 1.00 0.00 C ATOM 1336 CG2 VAL A 93 5.593 -6.145 -8.140 1.00 0.00 C ATOM 0 H VAL A 93 5.766 -5.632 -4.636 1.00 0.00 H new ATOM 0 HA VAL A 93 3.488 -5.868 -6.485 1.00 0.00 H new ATOM 0 HB VAL A 93 6.090 -7.446 -6.528 1.00 0.00 H new ATOM 0 HG11 VAL A 93 5.063 -8.803 -8.305 1.00 0.00 H new ATOM 0 HG12 VAL A 93 4.203 -8.980 -6.757 1.00 0.00 H new ATOM 0 HG13 VAL A 93 3.516 -7.964 -8.047 1.00 0.00 H new ATOM 0 HG21 VAL A 93 6.201 -6.684 -8.867 1.00 0.00 H new ATOM 0 HG22 VAL A 93 4.701 -5.756 -8.631 1.00 0.00 H new ATOM 0 HG23 VAL A 93 6.170 -5.318 -7.727 1.00 0.00 H new ATOM 1346 N LEU A 94 2.477 -7.327 -4.749 1.00 0.00 N ATOM 1347 CA LEU A 94 1.837 -8.240 -3.808 1.00 0.00 C ATOM 1348 C LEU A 94 1.406 -9.526 -4.506 1.00 0.00 C ATOM 1349 O LEU A 94 0.574 -9.503 -5.413 1.00 0.00 O ATOM 1350 CB LEU A 94 0.627 -7.568 -3.159 1.00 0.00 C ATOM 1351 CG LEU A 94 -0.155 -8.418 -2.156 1.00 0.00 C ATOM 1352 CD1 LEU A 94 0.607 -8.532 -0.845 1.00 0.00 C ATOM 1353 CD2 LEU A 94 -1.538 -7.828 -1.921 1.00 0.00 C ATOM 0 H LEU A 94 1.837 -6.679 -5.209 1.00 0.00 H new ATOM 0 HA LEU A 94 2.562 -8.494 -3.035 1.00 0.00 H new ATOM 0 HB2 LEU A 94 0.967 -6.665 -2.652 1.00 0.00 H new ATOM 0 HB3 LEU A 94 -0.056 -7.253 -3.948 1.00 0.00 H new ATOM 0 HG LEU A 94 -0.274 -9.418 -2.572 1.00 0.00 H new ATOM 0 HD11 LEU A 94 0.036 -9.140 -0.144 1.00 0.00 H new ATOM 0 HD12 LEU A 94 1.575 -9.000 -1.026 1.00 0.00 H new ATOM 0 HD13 LEU A 94 0.758 -7.538 -0.424 1.00 0.00 H new ATOM 0 HD21 LEU A 94 -2.080 -8.446 -1.205 1.00 0.00 H new ATOM 0 HD22 LEU A 94 -1.440 -6.817 -1.527 1.00 0.00 H new ATOM 0 HD23 LEU A 94 -2.086 -7.799 -2.863 1.00 0.00 H new ATOM 1365 N ASP A 95 1.976 -10.646 -4.075 1.00 0.00 N ATOM 1366 CA ASP A 95 1.648 -11.943 -4.656 1.00 0.00 C ATOM 1367 C ASP A 95 0.689 -12.715 -3.755 1.00 0.00 C ATOM 1368 O ASP A 95 1.097 -13.296 -2.749 1.00 0.00 O ATOM 1369 CB ASP A 95 2.920 -12.760 -4.886 1.00 0.00 C ATOM 1370 CG ASP A 95 3.624 -12.385 -6.175 1.00 0.00 C ATOM 1371 OD1 ASP A 95 4.447 -11.446 -6.151 1.00 0.00 O ATOM 1372 OD2 ASP A 95 3.352 -13.031 -7.208 1.00 0.00 O ATOM 0 H ASP A 95 2.667 -10.682 -3.326 1.00 0.00 H new ATOM 0 HA ASP A 95 1.159 -11.770 -5.615 1.00 0.00 H new ATOM 0 HB2 ASP A 95 3.600 -12.611 -4.047 1.00 0.00 H new ATOM 0 HB3 ASP A 95 2.668 -13.820 -4.908 1.00 0.00 H new ATOM 1377 N VAL A 96 -0.589 -12.716 -4.122 1.00 0.00 N ATOM 1378 CA VAL A 96 -1.606 -13.416 -3.347 1.00 0.00 C ATOM 1379 C VAL A 96 -1.803 -14.839 -3.858 1.00 0.00 C ATOM 1380 O VAL A 96 -2.057 -15.057 -5.043 1.00 0.00 O ATOM 1381 CB VAL A 96 -2.956 -12.675 -3.394 1.00 0.00 C ATOM 1382 CG1 VAL A 96 -4.053 -13.524 -2.770 1.00 0.00 C ATOM 1383 CG2 VAL A 96 -2.848 -11.329 -2.693 1.00 0.00 C ATOM 0 H VAL A 96 -0.944 -12.240 -4.951 1.00 0.00 H new ATOM 0 HA VAL A 96 -1.253 -13.448 -2.316 1.00 0.00 H new ATOM 0 HB VAL A 96 -3.217 -12.496 -4.437 1.00 0.00 H new ATOM 0 HG11 VAL A 96 -4.999 -12.984 -2.812 1.00 0.00 H new ATOM 0 HG12 VAL A 96 -4.145 -14.461 -3.319 1.00 0.00 H new ATOM 0 HG13 VAL A 96 -3.802 -13.736 -1.731 1.00 0.00 H new ATOM 0 HG21 VAL A 96 -3.810 -10.819 -2.735 1.00 0.00 H new ATOM 0 HG22 VAL A 96 -2.564 -11.483 -1.652 1.00 0.00 H new ATOM 0 HG23 VAL A 96 -2.092 -10.720 -3.189 1.00 0.00 H new ATOM 1393 N THR A 97 -1.685 -15.807 -2.954 1.00 0.00 N ATOM 1394 CA THR A 97 -1.849 -17.211 -3.312 1.00 0.00 C ATOM 1395 C THR A 97 -3.025 -17.834 -2.569 1.00 0.00 C ATOM 1396 O THR A 97 -3.749 -17.147 -1.849 1.00 0.00 O ATOM 1397 CB THR A 97 -0.575 -18.021 -3.006 1.00 0.00 C ATOM 1398 OG1 THR A 97 -0.178 -17.814 -1.646 1.00 0.00 O ATOM 1399 CG2 THR A 97 0.559 -17.620 -3.937 1.00 0.00 C ATOM 0 H THR A 97 -1.477 -15.644 -1.969 1.00 0.00 H new ATOM 0 HA THR A 97 -2.042 -17.244 -4.384 1.00 0.00 H new ATOM 0 HB THR A 97 -0.796 -19.077 -3.163 1.00 0.00 H new ATOM 0 HG1 THR A 97 0.632 -18.333 -1.459 1.00 0.00 H new ATOM 0 HG21 THR A 97 1.448 -18.206 -3.701 1.00 0.00 H new ATOM 0 HG22 THR A 97 0.265 -17.806 -4.970 1.00 0.00 H new ATOM 0 HG23 THR A 97 0.778 -16.560 -3.808 1.00 0.00 H new ATOM 1407 N GLU A 98 -3.208 -19.138 -2.749 1.00 0.00 N ATOM 1408 CA GLU A 98 -4.298 -19.853 -2.095 1.00 0.00 C ATOM 1409 C GLU A 98 -3.801 -20.581 -0.849 1.00 0.00 C ATOM 1410 O GLU A 98 -4.537 -20.742 0.124 1.00 0.00 O ATOM 1411 CB GLU A 98 -4.936 -20.852 -3.062 1.00 0.00 C ATOM 1412 CG GLU A 98 -5.710 -20.195 -4.193 1.00 0.00 C ATOM 1413 CD GLU A 98 -6.481 -21.196 -5.031 1.00 0.00 C ATOM 1414 OE1 GLU A 98 -7.603 -21.569 -4.626 1.00 0.00 O ATOM 1415 OE2 GLU A 98 -5.964 -21.608 -6.090 1.00 0.00 O ATOM 0 H GLU A 98 -2.616 -19.721 -3.342 1.00 0.00 H new ATOM 0 HA GLU A 98 -5.048 -19.122 -1.793 1.00 0.00 H new ATOM 0 HB2 GLU A 98 -4.155 -21.484 -3.486 1.00 0.00 H new ATOM 0 HB3 GLU A 98 -5.607 -21.506 -2.505 1.00 0.00 H new ATOM 0 HG2 GLU A 98 -6.404 -19.464 -3.777 1.00 0.00 H new ATOM 0 HG3 GLU A 98 -5.017 -19.648 -4.833 1.00 0.00 H new ATOM 1422 N SER A 99 -2.547 -21.019 -0.888 1.00 0.00 N ATOM 1423 CA SER A 99 -1.951 -21.734 0.234 1.00 0.00 C ATOM 1424 C SER A 99 -0.756 -20.968 0.793 1.00 0.00 C ATOM 1425 O SER A 99 0.257 -21.561 1.164 1.00 0.00 O ATOM 1426 CB SER A 99 -1.517 -23.135 -0.199 1.00 0.00 C ATOM 1427 OG SER A 99 -2.627 -23.904 -0.628 1.00 0.00 O ATOM 0 H SER A 99 -1.924 -20.891 -1.685 1.00 0.00 H new ATOM 0 HA SER A 99 -2.703 -21.821 1.018 1.00 0.00 H new ATOM 0 HB2 SER A 99 -0.789 -23.060 -1.007 1.00 0.00 H new ATOM 0 HB3 SER A 99 -1.021 -23.638 0.631 1.00 0.00 H new ATOM 0 HG SER A 99 -2.322 -24.794 -0.901 1.00 0.00 H new ATOM 1433 N GLY A 100 -0.882 -19.646 0.851 1.00 0.00 N ATOM 1434 CA GLY A 100 0.194 -18.820 1.366 1.00 0.00 C ATOM 1435 C GLY A 100 0.209 -18.763 2.880 1.00 0.00 C ATOM 1436 O GLY A 100 0.678 -19.692 3.538 1.00 0.00 O ATOM 0 H GLY A 100 -1.710 -19.132 0.550 1.00 0.00 H new ATOM 0 HA2 GLY A 100 1.148 -19.209 1.011 1.00 0.00 H new ATOM 0 HA3 GLY A 100 0.094 -17.810 0.969 1.00 0.00 H new