USER MOD reduce.3.24.130724 H: found=0, std=0, add=632, rem=0, adj=25 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 83 SER OG : rot 101:sc= -0.111 USER MOD Set 1.2: A 85 SER OG : rot 180:sc= 0.835 USER MOD Single : A 13 GLN : amide:sc= 0 X(o=0,f=-0.3) USER MOD Single : A 17 ASN : amide:sc= 0.851 K(o=0.85,f=-4.7!) USER MOD Single : A 18 GLN : amide:sc= -0.0636 X(o=-0.064,f=-0.0037) USER MOD Single : A 19 THR OG1 : rot 180:sc= 0 USER MOD Single : A 25 THR OG1 : rot 180:sc= -0.323 USER MOD Single : A 29 LYS NZ :NH3+ 171:sc= 0.182 (180deg=0.157) USER MOD Single : A 31 LYS NZ :NH3+ 169:sc= -0.0878 (180deg=-0.221) USER MOD Single : A 33 THR OG1 : rot 180:sc= -0.0543 USER MOD Single : A 41 SER OG : rot 23:sc= 1.08 USER MOD Single : A 44 LYS NZ :NH3+ -146:sc= 1.22 (180deg=-0.154) USER MOD Single : A 48 THR OG1 : rot 180:sc= 0 USER MOD Single : A 57 THR OG1 : rot 180:sc= -0.167 USER MOD Single : A 63 THR OG1 : rot 180:sc= 0 USER MOD Single : A 65 GLN :FLIP amide:sc= -3.82 F(o=-4.7!,f=-3.8) USER MOD Single : A 67 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 68 ASN : amide:sc= -0.0139 X(o=-0.014,f=0) USER MOD Single : A 72 SER OG : rot 180:sc= 0 USER MOD Single : A 74 THR OG1 : rot 98:sc= 0.448 USER MOD Single : A 76 THR OG1 : rot 180:sc= 0 USER MOD Single : A 77 TYR OH : rot 150:sc= 0 USER MOD Single : A 78 THR OG1 : rot 180:sc= 0 USER MOD Single : A 82 THR OG1 : rot -88:sc= 0.0373 USER MOD Single : A 84 SER OG : rot 180:sc= 0 USER MOD Single : A 88 THR OG1 : rot 180:sc= 0 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 -150:sc= -1.33 USER MOD Single : A 99 SER OG : rot -56:sc= 0.402 USER MOD ----------------------------------------------------------------- ATOM 80 N PRO A 9 9.046 15.143 -0.587 1.00 0.00 N ATOM 81 CA PRO A 9 8.700 14.152 0.436 1.00 0.00 C ATOM 82 C PRO A 9 9.438 12.832 0.238 1.00 0.00 C ATOM 83 O PRO A 9 9.569 12.347 -0.887 1.00 0.00 O ATOM 84 CB PRO A 9 7.194 13.957 0.246 1.00 0.00 C ATOM 85 CG PRO A 9 6.942 14.319 -1.177 1.00 0.00 C ATOM 86 CD PRO A 9 7.928 15.405 -1.509 1.00 0.00 C ATOM 0 HA PRO A 9 8.978 14.485 1.436 1.00 0.00 H new ATOM 0 HB2 PRO A 9 6.899 12.928 0.451 1.00 0.00 H new ATOM 0 HB3 PRO A 9 6.624 14.593 0.923 1.00 0.00 H new ATOM 0 HG2 PRO A 9 7.078 13.456 -1.829 1.00 0.00 H new ATOM 0 HG3 PRO A 9 5.918 14.666 -1.316 1.00 0.00 H new ATOM 0 HD2 PRO A 9 8.246 15.355 -2.550 1.00 0.00 H new ATOM 0 HD3 PRO A 9 7.502 16.396 -1.353 1.00 0.00 H new ATOM 94 N ILE A 10 9.916 12.256 1.335 1.00 0.00 N ATOM 95 CA ILE A 10 10.639 10.991 1.280 1.00 0.00 C ATOM 96 C ILE A 10 9.913 9.909 2.072 1.00 0.00 C ATOM 97 O ILE A 10 9.390 10.164 3.157 1.00 0.00 O ATOM 98 CB ILE A 10 12.071 11.137 1.827 1.00 0.00 C ATOM 99 CG1 ILE A 10 12.862 12.139 0.983 1.00 0.00 C ATOM 100 CG2 ILE A 10 12.771 9.786 1.848 1.00 0.00 C ATOM 101 CD1 ILE A 10 13.987 12.811 1.740 1.00 0.00 C ATOM 0 H ILE A 10 9.816 12.645 2.273 1.00 0.00 H new ATOM 0 HA ILE A 10 10.687 10.700 0.231 1.00 0.00 H new ATOM 0 HB ILE A 10 12.017 11.512 2.849 1.00 0.00 H new ATOM 0 HG12 ILE A 10 13.275 11.625 0.115 1.00 0.00 H new ATOM 0 HG13 ILE A 10 12.181 12.902 0.607 1.00 0.00 H new ATOM 0 HG21 ILE A 10 13.782 9.906 2.237 1.00 0.00 H new ATOM 0 HG22 ILE A 10 12.216 9.098 2.486 1.00 0.00 H new ATOM 0 HG23 ILE A 10 12.817 9.384 0.836 1.00 0.00 H new ATOM 0 HD11 ILE A 10 14.504 13.508 1.080 1.00 0.00 H new ATOM 0 HD12 ILE A 10 13.579 13.354 2.592 1.00 0.00 H new ATOM 0 HD13 ILE A 10 14.690 12.056 2.093 1.00 0.00 H new ATOM 113 N ILE A 11 9.886 8.699 1.523 1.00 0.00 N ATOM 114 CA ILE A 11 9.227 7.577 2.179 1.00 0.00 C ATOM 115 C ILE A 11 10.215 6.774 3.018 1.00 0.00 C ATOM 116 O ILE A 11 10.811 5.808 2.539 1.00 0.00 O ATOM 117 CB ILE A 11 8.559 6.640 1.156 1.00 0.00 C ATOM 118 CG1 ILE A 11 7.501 7.398 0.352 1.00 0.00 C ATOM 119 CG2 ILE A 11 7.939 5.443 1.860 1.00 0.00 C ATOM 120 CD1 ILE A 11 7.027 6.654 -0.877 1.00 0.00 C ATOM 0 H ILE A 11 10.313 8.471 0.625 1.00 0.00 H new ATOM 0 HA ILE A 11 8.460 7.998 2.829 1.00 0.00 H new ATOM 0 HB ILE A 11 9.321 6.277 0.467 1.00 0.00 H new ATOM 0 HG12 ILE A 11 6.645 7.603 0.995 1.00 0.00 H new ATOM 0 HG13 ILE A 11 7.909 8.362 0.048 1.00 0.00 H new ATOM 0 HG21 ILE A 11 7.471 4.790 1.123 1.00 0.00 H new ATOM 0 HG22 ILE A 11 8.714 4.892 2.392 1.00 0.00 H new ATOM 0 HG23 ILE A 11 7.187 5.788 2.570 1.00 0.00 H new ATOM 0 HD11 ILE A 11 6.278 7.251 -1.397 1.00 0.00 H new ATOM 0 HD12 ILE A 11 7.872 6.473 -1.541 1.00 0.00 H new ATOM 0 HD13 ILE A 11 6.589 5.701 -0.579 1.00 0.00 H new ATOM 132 N LEU A 12 10.383 7.177 4.272 1.00 0.00 N ATOM 133 CA LEU A 12 11.297 6.494 5.180 1.00 0.00 C ATOM 134 C LEU A 12 11.239 4.983 4.977 1.00 0.00 C ATOM 135 O LEU A 12 12.270 4.314 4.933 1.00 0.00 O ATOM 136 CB LEU A 12 10.959 6.838 6.632 1.00 0.00 C ATOM 137 CG LEU A 12 10.920 8.327 6.977 1.00 0.00 C ATOM 138 CD1 LEU A 12 10.022 8.573 8.179 1.00 0.00 C ATOM 139 CD2 LEU A 12 12.324 8.850 7.242 1.00 0.00 C ATOM 0 H LEU A 12 9.898 7.974 4.684 1.00 0.00 H new ATOM 0 HA LEU A 12 12.309 6.834 4.959 1.00 0.00 H new ATOM 0 HB2 LEU A 12 9.988 6.405 6.870 1.00 0.00 H new ATOM 0 HB3 LEU A 12 11.691 6.355 7.279 1.00 0.00 H new ATOM 0 HG LEU A 12 10.508 8.867 6.125 1.00 0.00 H new ATOM 0 HD11 LEU A 12 10.007 9.638 8.410 1.00 0.00 H new ATOM 0 HD12 LEU A 12 9.010 8.236 7.952 1.00 0.00 H new ATOM 0 HD13 LEU A 12 10.404 8.021 9.038 1.00 0.00 H new ATOM 0 HD21 LEU A 12 12.277 9.911 7.486 1.00 0.00 H new ATOM 0 HD22 LEU A 12 12.764 8.305 8.077 1.00 0.00 H new ATOM 0 HD23 LEU A 12 12.939 8.709 6.353 1.00 0.00 H new ATOM 151 N GLN A 13 10.026 4.455 4.852 1.00 0.00 N ATOM 152 CA GLN A 13 9.834 3.023 4.651 1.00 0.00 C ATOM 153 C GLN A 13 8.537 2.748 3.898 1.00 0.00 C ATOM 154 O GLN A 13 7.446 2.865 4.455 1.00 0.00 O ATOM 155 CB GLN A 13 9.820 2.296 5.997 1.00 0.00 C ATOM 156 CG GLN A 13 9.519 0.810 5.882 1.00 0.00 C ATOM 157 CD GLN A 13 9.319 0.149 7.232 1.00 0.00 C ATOM 158 OE1 GLN A 13 8.611 0.672 8.093 1.00 0.00 O ATOM 159 NE2 GLN A 13 9.944 -1.007 7.424 1.00 0.00 N ATOM 0 H GLN A 13 9.162 4.996 4.886 1.00 0.00 H new ATOM 0 HA GLN A 13 10.666 2.651 4.053 1.00 0.00 H new ATOM 0 HB2 GLN A 13 10.788 2.426 6.481 1.00 0.00 H new ATOM 0 HB3 GLN A 13 9.075 2.760 6.644 1.00 0.00 H new ATOM 0 HG2 GLN A 13 8.623 0.670 5.277 1.00 0.00 H new ATOM 0 HG3 GLN A 13 10.338 0.317 5.358 1.00 0.00 H new ATOM 0 HE21 GLN A 13 10.521 -1.404 6.683 1.00 0.00 H new ATOM 0 HE22 GLN A 13 9.847 -1.498 8.313 1.00 0.00 H new ATOM 168 N GLY A 14 8.663 2.383 2.625 1.00 0.00 N ATOM 169 CA GLY A 14 7.493 2.097 1.816 1.00 0.00 C ATOM 170 C GLY A 14 7.149 0.621 1.793 1.00 0.00 C ATOM 171 O GLY A 14 7.633 -0.163 2.610 1.00 0.00 O ATOM 0 H GLY A 14 9.555 2.280 2.140 1.00 0.00 H new ATOM 0 HA2 GLY A 14 6.642 2.659 2.202 1.00 0.00 H new ATOM 0 HA3 GLY A 14 7.667 2.442 0.797 1.00 0.00 H new ATOM 175 N PRO A 15 6.293 0.223 0.841 1.00 0.00 N ATOM 176 CA PRO A 15 5.865 -1.171 0.693 1.00 0.00 C ATOM 177 C PRO A 15 6.990 -2.073 0.196 1.00 0.00 C ATOM 178 O PRO A 15 8.140 -1.648 0.095 1.00 0.00 O ATOM 179 CB PRO A 15 4.745 -1.090 -0.348 1.00 0.00 C ATOM 180 CG PRO A 15 5.046 0.140 -1.132 1.00 0.00 C ATOM 181 CD PRO A 15 5.677 1.104 -0.166 1.00 0.00 C ATOM 0 HA PRO A 15 5.552 -1.604 1.643 1.00 0.00 H new ATOM 0 HB2 PRO A 15 4.733 -1.973 -0.986 1.00 0.00 H new ATOM 0 HB3 PRO A 15 3.766 -1.027 0.127 1.00 0.00 H new ATOM 0 HG2 PRO A 15 5.720 -0.080 -1.960 1.00 0.00 H new ATOM 0 HG3 PRO A 15 4.137 0.559 -1.564 1.00 0.00 H new ATOM 0 HD2 PRO A 15 6.419 1.736 -0.655 1.00 0.00 H new ATOM 0 HD3 PRO A 15 4.937 1.768 0.280 1.00 0.00 H new ATOM 189 N ALA A 16 6.649 -3.320 -0.113 1.00 0.00 N ATOM 190 CA ALA A 16 7.630 -4.281 -0.602 1.00 0.00 C ATOM 191 C ALA A 16 6.949 -5.535 -1.139 1.00 0.00 C ATOM 192 O ALA A 16 5.801 -5.821 -0.804 1.00 0.00 O ATOM 193 CB ALA A 16 8.611 -4.642 0.504 1.00 0.00 C ATOM 0 H ALA A 16 5.701 -3.688 -0.033 1.00 0.00 H new ATOM 0 HA ALA A 16 8.179 -3.818 -1.422 1.00 0.00 H new ATOM 0 HB1 ALA A 16 9.338 -5.360 0.125 1.00 0.00 H new ATOM 0 HB2 ALA A 16 9.129 -3.743 0.838 1.00 0.00 H new ATOM 0 HB3 ALA A 16 8.069 -5.081 1.342 1.00 0.00 H new ATOM 199 N ASN A 17 7.666 -6.280 -1.974 1.00 0.00 N ATOM 200 CA ASN A 17 7.130 -7.504 -2.559 1.00 0.00 C ATOM 201 C ASN A 17 6.802 -8.526 -1.475 1.00 0.00 C ATOM 202 O ASN A 17 7.698 -9.146 -0.902 1.00 0.00 O ATOM 203 CB ASN A 17 8.129 -8.100 -3.552 1.00 0.00 C ATOM 204 CG ASN A 17 9.552 -8.072 -3.028 1.00 0.00 C ATOM 205 OD1 ASN A 17 10.078 -7.013 -2.682 1.00 0.00 O ATOM 206 ND2 ASN A 17 10.183 -9.239 -2.967 1.00 0.00 N ATOM 0 H ASN A 17 8.619 -6.058 -2.261 1.00 0.00 H new ATOM 0 HA ASN A 17 6.210 -7.252 -3.087 1.00 0.00 H new ATOM 0 HB2 ASN A 17 7.847 -9.129 -3.774 1.00 0.00 H new ATOM 0 HB3 ASN A 17 8.079 -7.547 -4.490 1.00 0.00 H new ATOM 0 HD21 ASN A 17 11.142 -9.283 -2.623 1.00 0.00 H new ATOM 0 HD22 ASN A 17 9.708 -10.092 -3.264 1.00 0.00 H new ATOM 213 N GLN A 18 5.513 -8.697 -1.200 1.00 0.00 N ATOM 214 CA GLN A 18 5.067 -9.644 -0.185 1.00 0.00 C ATOM 215 C GLN A 18 4.248 -10.768 -0.812 1.00 0.00 C ATOM 216 O GLN A 18 3.572 -10.570 -1.822 1.00 0.00 O ATOM 217 CB GLN A 18 4.239 -8.928 0.883 1.00 0.00 C ATOM 218 CG GLN A 18 3.402 -7.783 0.336 1.00 0.00 C ATOM 219 CD GLN A 18 2.822 -6.910 1.432 1.00 0.00 C ATOM 220 OE1 GLN A 18 2.295 -7.409 2.426 1.00 0.00 O ATOM 221 NE2 GLN A 18 2.916 -5.597 1.255 1.00 0.00 N ATOM 0 H GLN A 18 4.759 -8.192 -1.666 1.00 0.00 H new ATOM 0 HA GLN A 18 5.950 -10.080 0.282 1.00 0.00 H new ATOM 0 HB2 GLN A 18 3.581 -9.650 1.366 1.00 0.00 H new ATOM 0 HB3 GLN A 18 4.908 -8.543 1.652 1.00 0.00 H new ATOM 0 HG2 GLN A 18 4.017 -7.171 -0.324 1.00 0.00 H new ATOM 0 HG3 GLN A 18 2.591 -8.188 -0.269 1.00 0.00 H new ATOM 0 HE21 GLN A 18 3.361 -5.226 0.416 1.00 0.00 H new ATOM 0 HE22 GLN A 18 2.543 -4.960 1.959 1.00 0.00 H new ATOM 230 N THR A 19 4.314 -11.950 -0.206 1.00 0.00 N ATOM 231 CA THR A 19 3.580 -13.106 -0.705 1.00 0.00 C ATOM 232 C THR A 19 2.546 -13.581 0.310 1.00 0.00 C ATOM 233 O THR A 19 2.875 -14.294 1.259 1.00 0.00 O ATOM 234 CB THR A 19 4.528 -14.273 -1.039 1.00 0.00 C ATOM 235 OG1 THR A 19 5.506 -13.850 -1.996 1.00 0.00 O ATOM 236 CG2 THR A 19 3.753 -15.460 -1.588 1.00 0.00 C ATOM 0 H THR A 19 4.868 -12.131 0.631 1.00 0.00 H new ATOM 0 HA THR A 19 3.072 -12.788 -1.616 1.00 0.00 H new ATOM 0 HB THR A 19 5.028 -14.581 -0.121 1.00 0.00 H new ATOM 0 HG1 THR A 19 6.106 -14.597 -2.202 1.00 0.00 H new ATOM 0 HG21 THR A 19 4.444 -16.271 -1.816 1.00 0.00 H new ATOM 0 HG22 THR A 19 3.030 -15.797 -0.845 1.00 0.00 H new ATOM 0 HG23 THR A 19 3.229 -15.163 -2.496 1.00 0.00 H new ATOM 244 N LEU A 20 1.296 -13.182 0.104 1.00 0.00 N ATOM 245 CA LEU A 20 0.212 -13.568 1.002 1.00 0.00 C ATOM 246 C LEU A 20 -0.655 -14.654 0.373 1.00 0.00 C ATOM 247 O LEU A 20 -0.416 -15.075 -0.759 1.00 0.00 O ATOM 248 CB LEU A 20 -0.647 -12.351 1.349 1.00 0.00 C ATOM 249 CG LEU A 20 0.104 -11.128 1.875 1.00 0.00 C ATOM 250 CD1 LEU A 20 -0.809 -9.912 1.904 1.00 0.00 C ATOM 251 CD2 LEU A 20 0.671 -11.404 3.260 1.00 0.00 C ATOM 0 H LEU A 20 1.007 -12.592 -0.676 1.00 0.00 H new ATOM 0 HA LEU A 20 0.654 -13.965 1.916 1.00 0.00 H new ATOM 0 HB2 LEU A 20 -1.201 -12.057 0.458 1.00 0.00 H new ATOM 0 HB3 LEU A 20 -1.381 -12.651 2.097 1.00 0.00 H new ATOM 0 HG LEU A 20 0.934 -10.918 1.200 1.00 0.00 H new ATOM 0 HD11 LEU A 20 -0.257 -9.051 2.281 1.00 0.00 H new ATOM 0 HD12 LEU A 20 -1.166 -9.701 0.896 1.00 0.00 H new ATOM 0 HD13 LEU A 20 -1.660 -10.111 2.556 1.00 0.00 H new ATOM 0 HD21 LEU A 20 1.202 -10.522 3.618 1.00 0.00 H new ATOM 0 HD22 LEU A 20 -0.143 -11.641 3.946 1.00 0.00 H new ATOM 0 HD23 LEU A 20 1.360 -12.247 3.210 1.00 0.00 H new ATOM 263 N ALA A 21 -1.663 -15.102 1.114 1.00 0.00 N ATOM 264 CA ALA A 21 -2.569 -16.135 0.627 1.00 0.00 C ATOM 265 C ALA A 21 -4.006 -15.627 0.578 1.00 0.00 C ATOM 266 O ALA A 21 -4.498 -15.033 1.536 1.00 0.00 O ATOM 267 CB ALA A 21 -2.475 -17.375 1.505 1.00 0.00 C ATOM 0 H ALA A 21 -1.873 -14.766 2.054 1.00 0.00 H new ATOM 0 HA ALA A 21 -2.270 -16.397 -0.388 1.00 0.00 H new ATOM 0 HB1 ALA A 21 -3.157 -18.139 1.130 1.00 0.00 H new ATOM 0 HB2 ALA A 21 -1.455 -17.758 1.485 1.00 0.00 H new ATOM 0 HB3 ALA A 21 -2.746 -17.117 2.529 1.00 0.00 H new ATOM 273 N VAL A 22 -4.674 -15.865 -0.547 1.00 0.00 N ATOM 274 CA VAL A 22 -6.055 -15.432 -0.721 1.00 0.00 C ATOM 275 C VAL A 22 -6.831 -15.528 0.588 1.00 0.00 C ATOM 276 O VAL A 22 -6.506 -16.338 1.456 1.00 0.00 O ATOM 277 CB VAL A 22 -6.775 -16.270 -1.795 1.00 0.00 C ATOM 278 CG1 VAL A 22 -8.279 -16.244 -1.572 1.00 0.00 C ATOM 279 CG2 VAL A 22 -6.425 -15.766 -3.187 1.00 0.00 C ATOM 0 H VAL A 22 -4.281 -16.355 -1.351 1.00 0.00 H new ATOM 0 HA VAL A 22 -6.022 -14.392 -1.044 1.00 0.00 H new ATOM 0 HB VAL A 22 -6.437 -17.303 -1.712 1.00 0.00 H new ATOM 0 HG11 VAL A 22 -8.771 -16.841 -2.340 1.00 0.00 H new ATOM 0 HG12 VAL A 22 -8.508 -16.656 -0.589 1.00 0.00 H new ATOM 0 HG13 VAL A 22 -8.637 -15.216 -1.627 1.00 0.00 H new ATOM 0 HG21 VAL A 22 -6.942 -16.369 -3.933 1.00 0.00 H new ATOM 0 HG22 VAL A 22 -6.733 -14.725 -3.285 1.00 0.00 H new ATOM 0 HG23 VAL A 22 -5.349 -15.842 -3.342 1.00 0.00 H new ATOM 289 N ASP A 23 -7.858 -14.696 0.723 1.00 0.00 N ATOM 290 CA ASP A 23 -8.682 -14.688 1.926 1.00 0.00 C ATOM 291 C ASP A 23 -7.835 -14.409 3.163 1.00 0.00 C ATOM 292 O ASP A 23 -8.036 -15.014 4.215 1.00 0.00 O ATOM 293 CB ASP A 23 -9.409 -16.025 2.081 1.00 0.00 C ATOM 294 CG ASP A 23 -10.436 -16.256 0.990 1.00 0.00 C ATOM 295 OD1 ASP A 23 -11.061 -15.271 0.545 1.00 0.00 O ATOM 296 OD2 ASP A 23 -10.615 -17.423 0.582 1.00 0.00 O ATOM 0 H ASP A 23 -8.140 -14.019 0.014 1.00 0.00 H new ATOM 0 HA ASP A 23 -9.420 -13.892 1.826 1.00 0.00 H new ATOM 0 HB2 ASP A 23 -8.680 -16.835 2.067 1.00 0.00 H new ATOM 0 HB3 ASP A 23 -9.902 -16.057 3.053 1.00 0.00 H new ATOM 301 N GLY A 24 -6.886 -13.487 3.028 1.00 0.00 N ATOM 302 CA GLY A 24 -6.022 -13.145 4.142 1.00 0.00 C ATOM 303 C GLY A 24 -6.118 -11.680 4.522 1.00 0.00 C ATOM 304 O GLY A 24 -7.214 -11.137 4.662 1.00 0.00 O ATOM 0 H GLY A 24 -6.701 -12.972 2.168 1.00 0.00 H new ATOM 0 HA2 GLY A 24 -6.285 -13.759 5.004 1.00 0.00 H new ATOM 0 HA3 GLY A 24 -4.990 -13.383 3.884 1.00 0.00 H new ATOM 308 N THR A 25 -4.966 -11.037 4.690 1.00 0.00 N ATOM 309 CA THR A 25 -4.925 -9.628 5.058 1.00 0.00 C ATOM 310 C THR A 25 -3.614 -8.984 4.622 1.00 0.00 C ATOM 311 O THR A 25 -2.540 -9.364 5.086 1.00 0.00 O ATOM 312 CB THR A 25 -5.095 -9.439 6.578 1.00 0.00 C ATOM 313 OG1 THR A 25 -6.029 -10.396 7.088 1.00 0.00 O ATOM 314 CG2 THR A 25 -5.578 -8.032 6.897 1.00 0.00 C ATOM 0 H THR A 25 -4.050 -11.470 4.577 1.00 0.00 H new ATOM 0 HA THR A 25 -5.754 -9.143 4.543 1.00 0.00 H new ATOM 0 HB THR A 25 -4.125 -9.590 7.052 1.00 0.00 H new ATOM 0 HG1 THR A 25 -6.131 -10.271 8.055 1.00 0.00 H new ATOM 0 HG21 THR A 25 -5.691 -7.922 7.976 1.00 0.00 H new ATOM 0 HG22 THR A 25 -4.851 -7.306 6.532 1.00 0.00 H new ATOM 0 HG23 THR A 25 -6.539 -7.858 6.412 1.00 0.00 H new ATOM 322 N ALA A 26 -3.710 -8.006 3.727 1.00 0.00 N ATOM 323 CA ALA A 26 -2.531 -7.307 3.230 1.00 0.00 C ATOM 324 C ALA A 26 -2.280 -6.025 4.017 1.00 0.00 C ATOM 325 O ALA A 26 -3.095 -5.102 3.996 1.00 0.00 O ATOM 326 CB ALA A 26 -2.686 -6.997 1.749 1.00 0.00 C ATOM 0 H ALA A 26 -4.592 -7.680 3.331 1.00 0.00 H new ATOM 0 HA ALA A 26 -1.669 -7.960 3.365 1.00 0.00 H new ATOM 0 HB1 ALA A 26 -1.798 -6.475 1.392 1.00 0.00 H new ATOM 0 HB2 ALA A 26 -2.808 -7.927 1.194 1.00 0.00 H new ATOM 0 HB3 ALA A 26 -3.562 -6.367 1.599 1.00 0.00 H new ATOM 332 N LEU A 27 -1.148 -5.974 4.711 1.00 0.00 N ATOM 333 CA LEU A 27 -0.790 -4.805 5.506 1.00 0.00 C ATOM 334 C LEU A 27 0.395 -4.070 4.890 1.00 0.00 C ATOM 335 O LEU A 27 1.544 -4.288 5.277 1.00 0.00 O ATOM 336 CB LEU A 27 -0.458 -5.221 6.940 1.00 0.00 C ATOM 337 CG LEU A 27 -1.646 -5.620 7.816 1.00 0.00 C ATOM 338 CD1 LEU A 27 -2.661 -4.489 7.886 1.00 0.00 C ATOM 339 CD2 LEU A 27 -2.295 -6.890 7.288 1.00 0.00 C ATOM 0 H LEU A 27 -0.463 -6.729 4.739 1.00 0.00 H new ATOM 0 HA LEU A 27 -1.645 -4.130 5.519 1.00 0.00 H new ATOM 0 HB2 LEU A 27 0.237 -6.060 6.902 1.00 0.00 H new ATOM 0 HB3 LEU A 27 0.064 -4.396 7.425 1.00 0.00 H new ATOM 0 HG LEU A 27 -1.280 -5.815 8.824 1.00 0.00 H new ATOM 0 HD11 LEU A 27 -3.499 -4.791 8.514 1.00 0.00 H new ATOM 0 HD12 LEU A 27 -2.190 -3.603 8.312 1.00 0.00 H new ATOM 0 HD13 LEU A 27 -3.022 -4.262 6.883 1.00 0.00 H new ATOM 0 HD21 LEU A 27 -3.139 -7.159 7.924 1.00 0.00 H new ATOM 0 HD22 LEU A 27 -2.647 -6.723 6.270 1.00 0.00 H new ATOM 0 HD23 LEU A 27 -1.565 -7.700 7.291 1.00 0.00 H new ATOM 351 N LEU A 28 0.109 -3.196 3.931 1.00 0.00 N ATOM 352 CA LEU A 28 1.152 -2.426 3.262 1.00 0.00 C ATOM 353 C LEU A 28 1.622 -1.269 4.138 1.00 0.00 C ATOM 354 O LEU A 28 0.826 -0.423 4.546 1.00 0.00 O ATOM 355 CB LEU A 28 0.639 -1.891 1.923 1.00 0.00 C ATOM 356 CG LEU A 28 0.339 -2.940 0.852 1.00 0.00 C ATOM 357 CD1 LEU A 28 -0.981 -3.637 1.143 1.00 0.00 C ATOM 358 CD2 LEU A 28 0.313 -2.301 -0.528 1.00 0.00 C ATOM 0 H LEU A 28 -0.836 -3.003 3.599 1.00 0.00 H new ATOM 0 HA LEU A 28 1.999 -3.088 3.082 1.00 0.00 H new ATOM 0 HB2 LEU A 28 -0.270 -1.319 2.107 1.00 0.00 H new ATOM 0 HB3 LEU A 28 1.378 -1.196 1.525 1.00 0.00 H new ATOM 0 HG LEU A 28 1.133 -3.687 0.870 1.00 0.00 H new ATOM 0 HD11 LEU A 28 -1.178 -4.380 0.370 1.00 0.00 H new ATOM 0 HD12 LEU A 28 -0.926 -4.129 2.114 1.00 0.00 H new ATOM 0 HD13 LEU A 28 -1.786 -2.902 1.153 1.00 0.00 H new ATOM 0 HD21 LEU A 28 0.098 -3.063 -1.278 1.00 0.00 H new ATOM 0 HD22 LEU A 28 -0.460 -1.533 -0.559 1.00 0.00 H new ATOM 0 HD23 LEU A 28 1.282 -1.849 -0.738 1.00 0.00 H new ATOM 370 N LYS A 29 2.919 -1.238 4.422 1.00 0.00 N ATOM 371 CA LYS A 29 3.497 -0.183 5.247 1.00 0.00 C ATOM 372 C LYS A 29 4.104 0.915 4.379 1.00 0.00 C ATOM 373 O LYS A 29 4.844 0.637 3.435 1.00 0.00 O ATOM 374 CB LYS A 29 4.566 -0.763 6.177 1.00 0.00 C ATOM 375 CG LYS A 29 3.994 -1.489 7.382 1.00 0.00 C ATOM 376 CD LYS A 29 3.768 -2.963 7.089 1.00 0.00 C ATOM 377 CE LYS A 29 2.732 -3.565 8.026 1.00 0.00 C ATOM 378 NZ LYS A 29 2.698 -5.051 7.933 1.00 0.00 N ATOM 0 H LYS A 29 3.591 -1.932 4.093 1.00 0.00 H new ATOM 0 HA LYS A 29 2.699 0.253 5.848 1.00 0.00 H new ATOM 0 HB2 LYS A 29 5.192 -1.453 5.611 1.00 0.00 H new ATOM 0 HB3 LYS A 29 5.212 0.044 6.522 1.00 0.00 H new ATOM 0 HG2 LYS A 29 4.674 -1.385 8.227 1.00 0.00 H new ATOM 0 HG3 LYS A 29 3.051 -1.026 7.673 1.00 0.00 H new ATOM 0 HD2 LYS A 29 3.440 -3.084 6.057 1.00 0.00 H new ATOM 0 HD3 LYS A 29 4.709 -3.504 7.190 1.00 0.00 H new ATOM 0 HE2 LYS A 29 2.955 -3.270 9.051 1.00 0.00 H new ATOM 0 HE3 LYS A 29 1.748 -3.163 7.786 1.00 0.00 H new ATOM 0 HZ1 LYS A 29 2.094 -5.432 8.689 1.00 0.00 H new ATOM 0 HZ2 LYS A 29 2.314 -5.332 7.008 1.00 0.00 H new ATOM 0 HZ3 LYS A 29 3.662 -5.427 8.037 1.00 0.00 H new ATOM 392 N CYS A 30 3.788 2.163 4.706 1.00 0.00 N ATOM 393 CA CYS A 30 4.303 3.304 3.958 1.00 0.00 C ATOM 394 C CYS A 30 4.293 4.566 4.816 1.00 0.00 C ATOM 395 O CYS A 30 3.232 5.082 5.169 1.00 0.00 O ATOM 396 CB CYS A 30 3.473 3.527 2.693 1.00 0.00 C ATOM 397 SG CYS A 30 4.242 4.657 1.489 1.00 0.00 S ATOM 0 H CYS A 30 3.177 2.410 5.485 1.00 0.00 H new ATOM 0 HA CYS A 30 5.333 3.087 3.675 1.00 0.00 H new ATOM 0 HB2 CYS A 30 3.298 2.565 2.212 1.00 0.00 H new ATOM 0 HB3 CYS A 30 2.498 3.924 2.976 1.00 0.00 H new ATOM 402 N LYS A 31 5.481 5.060 5.147 1.00 0.00 N ATOM 403 CA LYS A 31 5.611 6.262 5.961 1.00 0.00 C ATOM 404 C LYS A 31 6.504 7.290 5.274 1.00 0.00 C ATOM 405 O LYS A 31 7.630 6.985 4.881 1.00 0.00 O ATOM 406 CB LYS A 31 6.182 5.912 7.337 1.00 0.00 C ATOM 407 CG LYS A 31 5.816 6.912 8.420 1.00 0.00 C ATOM 408 CD LYS A 31 6.099 6.361 9.807 1.00 0.00 C ATOM 409 CE LYS A 31 7.538 6.622 10.227 1.00 0.00 C ATOM 410 NZ LYS A 31 7.777 8.062 10.523 1.00 0.00 N ATOM 0 H LYS A 31 6.369 4.646 4.863 1.00 0.00 H new ATOM 0 HA LYS A 31 4.619 6.695 6.086 1.00 0.00 H new ATOM 0 HB2 LYS A 31 5.823 4.925 7.629 1.00 0.00 H new ATOM 0 HB3 LYS A 31 7.268 5.848 7.265 1.00 0.00 H new ATOM 0 HG2 LYS A 31 6.380 7.833 8.272 1.00 0.00 H new ATOM 0 HG3 LYS A 31 4.760 7.168 8.338 1.00 0.00 H new ATOM 0 HD2 LYS A 31 5.420 6.818 10.527 1.00 0.00 H new ATOM 0 HD3 LYS A 31 5.903 5.289 9.821 1.00 0.00 H new ATOM 0 HE2 LYS A 31 7.773 6.026 11.109 1.00 0.00 H new ATOM 0 HE3 LYS A 31 8.212 6.297 9.434 1.00 0.00 H new ATOM 0 HZ1 LYS A 31 8.704 8.173 10.980 1.00 0.00 H new ATOM 0 HZ2 LYS A 31 7.760 8.606 9.637 1.00 0.00 H new ATOM 0 HZ3 LYS A 31 7.033 8.414 11.159 1.00 0.00 H new ATOM 424 N ALA A 32 5.996 8.510 5.135 1.00 0.00 N ATOM 425 CA ALA A 32 6.750 9.584 4.499 1.00 0.00 C ATOM 426 C ALA A 32 6.872 10.791 5.423 1.00 0.00 C ATOM 427 O ALA A 32 6.017 11.019 6.281 1.00 0.00 O ATOM 428 CB ALA A 32 6.092 9.986 3.187 1.00 0.00 C ATOM 0 H ALA A 32 5.065 8.780 5.454 1.00 0.00 H new ATOM 0 HA ALA A 32 7.754 9.215 4.291 1.00 0.00 H new ATOM 0 HB1 ALA A 32 6.666 10.789 2.723 1.00 0.00 H new ATOM 0 HB2 ALA A 32 6.062 9.127 2.517 1.00 0.00 H new ATOM 0 HB3 ALA A 32 5.076 10.331 3.380 1.00 0.00 H new ATOM 434 N THR A 33 7.940 11.562 5.245 1.00 0.00 N ATOM 435 CA THR A 33 8.175 12.744 6.064 1.00 0.00 C ATOM 436 C THR A 33 8.364 13.984 5.197 1.00 0.00 C ATOM 437 O THR A 33 8.739 13.886 4.030 1.00 0.00 O ATOM 438 CB THR A 33 9.412 12.567 6.964 1.00 0.00 C ATOM 439 OG1 THR A 33 9.624 13.750 7.744 1.00 0.00 O ATOM 440 CG2 THR A 33 10.650 12.274 6.131 1.00 0.00 C ATOM 0 H THR A 33 8.656 11.389 4.540 1.00 0.00 H new ATOM 0 HA THR A 33 7.294 12.874 6.692 1.00 0.00 H new ATOM 0 HB THR A 33 9.232 11.722 7.628 1.00 0.00 H new ATOM 0 HG1 THR A 33 10.411 13.629 8.315 1.00 0.00 H new ATOM 0 HG21 THR A 33 11.511 12.153 6.789 1.00 0.00 H new ATOM 0 HG22 THR A 33 10.497 11.357 5.561 1.00 0.00 H new ATOM 0 HG23 THR A 33 10.831 13.101 5.445 1.00 0.00 H new ATOM 448 N GLY A 34 8.104 15.152 5.778 1.00 0.00 N ATOM 449 CA GLY A 34 8.252 16.395 5.044 1.00 0.00 C ATOM 450 C GLY A 34 7.322 17.480 5.547 1.00 0.00 C ATOM 451 O GLY A 34 6.351 17.198 6.250 1.00 0.00 O ATOM 0 H GLY A 34 7.794 15.259 6.744 1.00 0.00 H new ATOM 0 HA2 GLY A 34 9.283 16.739 5.123 1.00 0.00 H new ATOM 0 HA3 GLY A 34 8.056 16.215 3.987 1.00 0.00 H new ATOM 455 N ASP A 35 7.618 18.724 5.190 1.00 0.00 N ATOM 456 CA ASP A 35 6.801 19.857 5.610 1.00 0.00 C ATOM 457 C ASP A 35 6.386 20.703 4.411 1.00 0.00 C ATOM 458 O ASP A 35 7.218 21.262 3.696 1.00 0.00 O ATOM 459 CB ASP A 35 7.565 20.718 6.617 1.00 0.00 C ATOM 460 CG ASP A 35 6.641 21.456 7.566 1.00 0.00 C ATOM 461 OD1 ASP A 35 6.309 20.892 8.630 1.00 0.00 O ATOM 462 OD2 ASP A 35 6.250 22.597 7.245 1.00 0.00 O ATOM 0 H ASP A 35 8.419 18.974 4.610 1.00 0.00 H new ATOM 0 HA ASP A 35 5.901 19.467 6.085 1.00 0.00 H new ATOM 0 HB2 ASP A 35 8.242 20.086 7.192 1.00 0.00 H new ATOM 0 HB3 ASP A 35 8.181 21.439 6.080 1.00 0.00 H new ATOM 467 N PRO A 36 5.068 20.799 4.182 1.00 0.00 N ATOM 468 CA PRO A 36 4.068 20.138 5.025 1.00 0.00 C ATOM 469 C PRO A 36 4.084 18.621 4.863 1.00 0.00 C ATOM 470 O PRO A 36 4.812 18.084 4.027 1.00 0.00 O ATOM 471 CB PRO A 36 2.742 20.715 4.522 1.00 0.00 C ATOM 472 CG PRO A 36 3.015 21.120 3.115 1.00 0.00 C ATOM 473 CD PRO A 36 4.452 21.561 3.082 1.00 0.00 C ATOM 0 HA PRO A 36 4.250 20.313 6.085 1.00 0.00 H new ATOM 0 HB2 PRO A 36 1.943 19.975 4.573 1.00 0.00 H new ATOM 0 HB3 PRO A 36 2.427 21.566 5.125 1.00 0.00 H new ATOM 0 HG2 PRO A 36 2.846 20.289 2.430 1.00 0.00 H new ATOM 0 HG3 PRO A 36 2.352 21.928 2.806 1.00 0.00 H new ATOM 0 HD2 PRO A 36 4.920 21.334 2.124 1.00 0.00 H new ATOM 0 HD3 PRO A 36 4.546 22.636 3.236 1.00 0.00 H new ATOM 481 N LEU A 37 3.278 17.937 5.667 1.00 0.00 N ATOM 482 CA LEU A 37 3.200 16.481 5.612 1.00 0.00 C ATOM 483 C LEU A 37 2.542 16.019 4.316 1.00 0.00 C ATOM 484 O LEU A 37 1.521 16.555 3.884 1.00 0.00 O ATOM 485 CB LEU A 37 2.417 15.947 6.813 1.00 0.00 C ATOM 486 CG LEU A 37 2.788 14.541 7.286 1.00 0.00 C ATOM 487 CD1 LEU A 37 2.568 14.406 8.784 1.00 0.00 C ATOM 488 CD2 LEU A 37 1.982 13.494 6.530 1.00 0.00 C ATOM 0 H LEU A 37 2.670 18.366 6.364 1.00 0.00 H new ATOM 0 HA LEU A 37 4.216 16.086 5.643 1.00 0.00 H new ATOM 0 HB2 LEU A 37 2.554 16.637 7.646 1.00 0.00 H new ATOM 0 HB3 LEU A 37 1.356 15.956 6.563 1.00 0.00 H new ATOM 0 HG LEU A 37 3.845 14.376 7.079 1.00 0.00 H new ATOM 0 HD11 LEU A 37 2.837 13.399 9.102 1.00 0.00 H new ATOM 0 HD12 LEU A 37 3.189 15.131 9.310 1.00 0.00 H new ATOM 0 HD13 LEU A 37 1.519 14.591 9.016 1.00 0.00 H new ATOM 0 HD21 LEU A 37 2.259 12.499 6.879 1.00 0.00 H new ATOM 0 HD22 LEU A 37 0.919 13.657 6.705 1.00 0.00 H new ATOM 0 HD23 LEU A 37 2.190 13.575 5.463 1.00 0.00 H new ATOM 500 N PRO A 38 3.138 15.000 3.680 1.00 0.00 N ATOM 501 CA PRO A 38 2.625 14.442 2.425 1.00 0.00 C ATOM 502 C PRO A 38 1.317 13.683 2.619 1.00 0.00 C ATOM 503 O PRO A 38 1.048 13.157 3.699 1.00 0.00 O ATOM 504 CB PRO A 38 3.736 13.486 1.982 1.00 0.00 C ATOM 505 CG PRO A 38 4.435 13.108 3.242 1.00 0.00 C ATOM 506 CD PRO A 38 4.358 14.314 4.137 1.00 0.00 C ATOM 0 HA PRO A 38 2.397 15.220 1.697 1.00 0.00 H new ATOM 0 HB2 PRO A 38 3.327 12.610 1.478 1.00 0.00 H new ATOM 0 HB3 PRO A 38 4.417 13.968 1.281 1.00 0.00 H new ATOM 0 HG2 PRO A 38 3.959 12.245 3.708 1.00 0.00 H new ATOM 0 HG3 PRO A 38 5.471 12.833 3.046 1.00 0.00 H new ATOM 0 HD2 PRO A 38 4.291 14.031 5.188 1.00 0.00 H new ATOM 0 HD3 PRO A 38 5.238 14.948 4.034 1.00 0.00 H new ATOM 514 N VAL A 39 0.506 13.631 1.567 1.00 0.00 N ATOM 515 CA VAL A 39 -0.774 12.936 1.622 1.00 0.00 C ATOM 516 C VAL A 39 -0.655 11.522 1.064 1.00 0.00 C ATOM 517 O VAL A 39 -1.019 11.264 -0.083 1.00 0.00 O ATOM 518 CB VAL A 39 -1.860 13.696 0.838 1.00 0.00 C ATOM 519 CG1 VAL A 39 -3.164 12.913 0.836 1.00 0.00 C ATOM 520 CG2 VAL A 39 -2.064 15.086 1.422 1.00 0.00 C ATOM 0 H VAL A 39 0.713 14.062 0.666 1.00 0.00 H new ATOM 0 HA VAL A 39 -1.063 12.887 2.672 1.00 0.00 H new ATOM 0 HB VAL A 39 -1.529 13.806 -0.195 1.00 0.00 H new ATOM 0 HG11 VAL A 39 -3.919 13.466 0.277 1.00 0.00 H new ATOM 0 HG12 VAL A 39 -3.005 11.942 0.368 1.00 0.00 H new ATOM 0 HG13 VAL A 39 -3.504 12.770 1.862 1.00 0.00 H new ATOM 0 HG21 VAL A 39 -2.835 15.609 0.856 1.00 0.00 H new ATOM 0 HG22 VAL A 39 -2.373 15.001 2.464 1.00 0.00 H new ATOM 0 HG23 VAL A 39 -1.130 15.645 1.365 1.00 0.00 H new ATOM 530 N ILE A 40 -0.145 10.609 1.884 1.00 0.00 N ATOM 531 CA ILE A 40 0.020 9.221 1.473 1.00 0.00 C ATOM 532 C ILE A 40 -1.137 8.768 0.588 1.00 0.00 C ATOM 533 O ILE A 40 -2.271 9.217 0.755 1.00 0.00 O ATOM 534 CB ILE A 40 0.119 8.281 2.689 1.00 0.00 C ATOM 535 CG1 ILE A 40 1.348 8.630 3.531 1.00 0.00 C ATOM 536 CG2 ILE A 40 0.176 6.831 2.235 1.00 0.00 C ATOM 537 CD1 ILE A 40 2.658 8.433 2.800 1.00 0.00 C ATOM 0 H ILE A 40 0.161 10.806 2.837 1.00 0.00 H new ATOM 0 HA ILE A 40 0.950 9.169 0.907 1.00 0.00 H new ATOM 0 HB ILE A 40 -0.770 8.413 3.305 1.00 0.00 H new ATOM 0 HG12 ILE A 40 1.274 9.668 3.854 1.00 0.00 H new ATOM 0 HG13 ILE A 40 1.348 8.016 4.431 1.00 0.00 H new ATOM 0 HG21 ILE A 40 0.246 6.179 3.106 1.00 0.00 H new ATOM 0 HG22 ILE A 40 -0.726 6.590 1.673 1.00 0.00 H new ATOM 0 HG23 ILE A 40 1.049 6.683 1.600 1.00 0.00 H new ATOM 0 HD11 ILE A 40 3.485 8.700 3.458 1.00 0.00 H new ATOM 0 HD12 ILE A 40 2.754 7.389 2.501 1.00 0.00 H new ATOM 0 HD13 ILE A 40 2.679 9.068 1.914 1.00 0.00 H new ATOM 549 N SER A 41 -0.842 7.876 -0.351 1.00 0.00 N ATOM 550 CA SER A 41 -1.857 7.363 -1.264 1.00 0.00 C ATOM 551 C SER A 41 -1.392 6.067 -1.921 1.00 0.00 C ATOM 552 O SER A 41 -0.200 5.761 -1.940 1.00 0.00 O ATOM 553 CB SER A 41 -2.181 8.404 -2.337 1.00 0.00 C ATOM 554 OG SER A 41 -3.044 9.407 -1.831 1.00 0.00 O ATOM 0 H SER A 41 0.092 7.493 -0.500 1.00 0.00 H new ATOM 0 HA SER A 41 -2.758 7.154 -0.686 1.00 0.00 H new ATOM 0 HB2 SER A 41 -1.258 8.861 -2.695 1.00 0.00 H new ATOM 0 HB3 SER A 41 -2.648 7.916 -3.192 1.00 0.00 H new ATOM 0 HG SER A 41 -2.970 9.440 -0.854 1.00 0.00 H new ATOM 560 N TRP A 42 -2.342 5.310 -2.457 1.00 0.00 N ATOM 561 CA TRP A 42 -2.031 4.046 -3.116 1.00 0.00 C ATOM 562 C TRP A 42 -2.710 3.960 -4.478 1.00 0.00 C ATOM 563 O TRP A 42 -3.900 4.249 -4.610 1.00 0.00 O ATOM 564 CB TRP A 42 -2.468 2.870 -2.240 1.00 0.00 C ATOM 565 CG TRP A 42 -1.799 2.847 -0.899 1.00 0.00 C ATOM 566 CD1 TRP A 42 -2.236 3.450 0.246 1.00 0.00 C ATOM 567 CD2 TRP A 42 -0.571 2.190 -0.565 1.00 0.00 C ATOM 568 NE1 TRP A 42 -1.355 3.207 1.271 1.00 0.00 N ATOM 569 CE2 TRP A 42 -0.325 2.436 0.800 1.00 0.00 C ATOM 570 CE3 TRP A 42 0.343 1.417 -1.286 1.00 0.00 C ATOM 571 CZ2 TRP A 42 0.797 1.936 1.455 1.00 0.00 C ATOM 572 CZ3 TRP A 42 1.456 0.922 -0.634 1.00 0.00 C ATOM 573 CH2 TRP A 42 1.675 1.182 0.725 1.00 0.00 C ATOM 0 H TRP A 42 -3.334 5.549 -2.449 1.00 0.00 H new ATOM 0 HA TRP A 42 -0.952 3.999 -3.265 1.00 0.00 H new ATOM 0 HB2 TRP A 42 -3.548 2.913 -2.099 1.00 0.00 H new ATOM 0 HB3 TRP A 42 -2.252 1.938 -2.762 1.00 0.00 H new ATOM 0 HD1 TRP A 42 -3.141 4.032 0.333 1.00 0.00 H new ATOM 0 HE1 TRP A 42 -1.452 3.546 2.228 1.00 0.00 H new ATOM 0 HE3 TRP A 42 0.182 1.210 -2.334 1.00 0.00 H new ATOM 0 HZ2 TRP A 42 0.968 2.136 2.502 1.00 0.00 H new ATOM 0 HZ3 TRP A 42 2.170 0.324 -1.182 1.00 0.00 H new ATOM 0 HH2 TRP A 42 2.554 0.779 1.206 1.00 0.00 H new ATOM 584 N LEU A 43 -1.947 3.561 -5.490 1.00 0.00 N ATOM 585 CA LEU A 43 -2.475 3.438 -6.844 1.00 0.00 C ATOM 586 C LEU A 43 -2.323 2.010 -7.360 1.00 0.00 C ATOM 587 O LEU A 43 -1.237 1.432 -7.306 1.00 0.00 O ATOM 588 CB LEU A 43 -1.760 4.410 -7.783 1.00 0.00 C ATOM 589 CG LEU A 43 -2.012 5.897 -7.528 1.00 0.00 C ATOM 590 CD1 LEU A 43 -1.065 6.749 -8.359 1.00 0.00 C ATOM 591 CD2 LEU A 43 -3.460 6.252 -7.834 1.00 0.00 C ATOM 0 H LEU A 43 -0.961 3.317 -5.398 1.00 0.00 H new ATOM 0 HA LEU A 43 -3.536 3.684 -6.817 1.00 0.00 H new ATOM 0 HB2 LEU A 43 -0.688 4.227 -7.715 1.00 0.00 H new ATOM 0 HB3 LEU A 43 -2.059 4.182 -8.806 1.00 0.00 H new ATOM 0 HG LEU A 43 -1.823 6.103 -6.474 1.00 0.00 H new ATOM 0 HD11 LEU A 43 -1.259 7.804 -8.165 1.00 0.00 H new ATOM 0 HD12 LEU A 43 -0.035 6.514 -8.092 1.00 0.00 H new ATOM 0 HD13 LEU A 43 -1.222 6.540 -9.417 1.00 0.00 H new ATOM 0 HD21 LEU A 43 -3.622 7.314 -7.647 1.00 0.00 H new ATOM 0 HD22 LEU A 43 -3.676 6.031 -8.879 1.00 0.00 H new ATOM 0 HD23 LEU A 43 -4.121 5.666 -7.195 1.00 0.00 H new ATOM 603 N LYS A 44 -3.416 1.448 -7.862 1.00 0.00 N ATOM 604 CA LYS A 44 -3.405 0.089 -8.392 1.00 0.00 C ATOM 605 C LYS A 44 -3.290 0.099 -9.913 1.00 0.00 C ATOM 606 O LYS A 44 -4.284 0.269 -10.618 1.00 0.00 O ATOM 607 CB LYS A 44 -4.674 -0.655 -7.970 1.00 0.00 C ATOM 608 CG LYS A 44 -4.681 -2.120 -8.371 1.00 0.00 C ATOM 609 CD LYS A 44 -5.976 -2.803 -7.965 1.00 0.00 C ATOM 610 CE LYS A 44 -5.857 -4.317 -8.045 1.00 0.00 C ATOM 611 NZ LYS A 44 -5.303 -4.897 -6.791 1.00 0.00 N ATOM 0 H LYS A 44 -4.323 1.913 -7.913 1.00 0.00 H new ATOM 0 HA LYS A 44 -2.536 -0.427 -7.983 1.00 0.00 H new ATOM 0 HB2 LYS A 44 -4.785 -0.582 -6.888 1.00 0.00 H new ATOM 0 HB3 LYS A 44 -5.539 -0.161 -8.413 1.00 0.00 H new ATOM 0 HG2 LYS A 44 -4.547 -2.204 -9.450 1.00 0.00 H new ATOM 0 HG3 LYS A 44 -3.838 -2.630 -7.905 1.00 0.00 H new ATOM 0 HD2 LYS A 44 -6.239 -2.511 -6.948 1.00 0.00 H new ATOM 0 HD3 LYS A 44 -6.785 -2.466 -8.613 1.00 0.00 H new ATOM 0 HE2 LYS A 44 -6.838 -4.748 -8.242 1.00 0.00 H new ATOM 0 HE3 LYS A 44 -5.216 -4.587 -8.884 1.00 0.00 H new ATOM 0 HZ1 LYS A 44 -4.719 -5.726 -7.021 1.00 0.00 H new ATOM 0 HZ2 LYS A 44 -4.719 -4.185 -6.308 1.00 0.00 H new ATOM 0 HZ3 LYS A 44 -6.084 -5.185 -6.167 1.00 0.00 H new ATOM 625 N GLU A 45 -2.072 -0.086 -10.411 1.00 0.00 N ATOM 626 CA GLU A 45 -1.829 -0.099 -11.849 1.00 0.00 C ATOM 627 C GLU A 45 -2.197 1.243 -12.475 1.00 0.00 C ATOM 628 O GLU A 45 -2.765 1.298 -13.565 1.00 0.00 O ATOM 629 CB GLU A 45 -2.629 -1.221 -12.514 1.00 0.00 C ATOM 630 CG GLU A 45 -2.235 -2.611 -12.044 1.00 0.00 C ATOM 631 CD GLU A 45 -2.789 -3.706 -12.934 1.00 0.00 C ATOM 632 OE1 GLU A 45 -2.976 -3.451 -14.142 1.00 0.00 O ATOM 633 OE2 GLU A 45 -3.036 -4.818 -12.423 1.00 0.00 O ATOM 0 H GLU A 45 -1.238 -0.229 -9.841 1.00 0.00 H new ATOM 0 HA GLU A 45 -0.766 -0.276 -12.010 1.00 0.00 H new ATOM 0 HB2 GLU A 45 -3.690 -1.067 -12.315 1.00 0.00 H new ATOM 0 HB3 GLU A 45 -2.495 -1.160 -13.594 1.00 0.00 H new ATOM 0 HG2 GLU A 45 -1.148 -2.686 -12.015 1.00 0.00 H new ATOM 0 HG3 GLU A 45 -2.592 -2.761 -11.025 1.00 0.00 H new ATOM 640 N GLY A 46 -1.870 2.326 -11.775 1.00 0.00 N ATOM 641 CA GLY A 46 -2.175 3.653 -12.277 1.00 0.00 C ATOM 642 C GLY A 46 -3.643 4.003 -12.138 1.00 0.00 C ATOM 643 O GLY A 46 -4.234 4.600 -13.038 1.00 0.00 O ATOM 0 H GLY A 46 -1.400 2.308 -10.870 1.00 0.00 H new ATOM 0 HA2 GLY A 46 -1.577 4.388 -11.738 1.00 0.00 H new ATOM 0 HA3 GLY A 46 -1.888 3.716 -13.327 1.00 0.00 H new ATOM 647 N PHE A 47 -4.234 3.629 -11.008 1.00 0.00 N ATOM 648 CA PHE A 47 -5.644 3.904 -10.756 1.00 0.00 C ATOM 649 C PHE A 47 -5.900 4.111 -9.266 1.00 0.00 C ATOM 650 O PHE A 47 -5.166 3.597 -8.421 1.00 0.00 O ATOM 651 CB PHE A 47 -6.511 2.758 -11.280 1.00 0.00 C ATOM 652 CG PHE A 47 -6.937 2.933 -12.709 1.00 0.00 C ATOM 653 CD1 PHE A 47 -6.080 2.601 -13.747 1.00 0.00 C ATOM 654 CD2 PHE A 47 -8.194 3.429 -13.016 1.00 0.00 C ATOM 655 CE1 PHE A 47 -6.470 2.762 -15.063 1.00 0.00 C ATOM 656 CE2 PHE A 47 -8.588 3.592 -14.331 1.00 0.00 C ATOM 657 CZ PHE A 47 -7.725 3.257 -15.356 1.00 0.00 C ATOM 0 H PHE A 47 -3.759 3.135 -10.253 1.00 0.00 H new ATOM 0 HA PHE A 47 -5.909 4.821 -11.283 1.00 0.00 H new ATOM 0 HB2 PHE A 47 -5.959 1.823 -11.186 1.00 0.00 H new ATOM 0 HB3 PHE A 47 -7.398 2.669 -10.653 1.00 0.00 H new ATOM 0 HD1 PHE A 47 -5.097 2.212 -13.525 1.00 0.00 H new ATOM 0 HD2 PHE A 47 -8.874 3.691 -12.219 1.00 0.00 H new ATOM 0 HE1 PHE A 47 -5.793 2.500 -15.863 1.00 0.00 H new ATOM 0 HE2 PHE A 47 -9.570 3.981 -14.557 1.00 0.00 H new ATOM 0 HZ PHE A 47 -8.031 3.382 -16.384 1.00 0.00 H new ATOM 667 N THR A 48 -6.946 4.868 -8.950 1.00 0.00 N ATOM 668 CA THR A 48 -7.298 5.144 -7.563 1.00 0.00 C ATOM 669 C THR A 48 -7.499 3.853 -6.779 1.00 0.00 C ATOM 670 O THR A 48 -8.139 2.917 -7.258 1.00 0.00 O ATOM 671 CB THR A 48 -8.580 5.994 -7.468 1.00 0.00 C ATOM 672 OG1 THR A 48 -8.936 6.190 -6.095 1.00 0.00 O ATOM 673 CG2 THR A 48 -9.730 5.323 -8.204 1.00 0.00 C ATOM 0 H THR A 48 -7.564 5.301 -9.636 1.00 0.00 H new ATOM 0 HA THR A 48 -6.467 5.702 -7.131 1.00 0.00 H new ATOM 0 HB THR A 48 -8.385 6.960 -7.935 1.00 0.00 H new ATOM 0 HG1 THR A 48 -9.751 6.732 -6.042 1.00 0.00 H new ATOM 0 HG21 THR A 48 -10.624 5.941 -8.123 1.00 0.00 H new ATOM 0 HG22 THR A 48 -9.467 5.201 -9.255 1.00 0.00 H new ATOM 0 HG23 THR A 48 -9.924 4.346 -7.762 1.00 0.00 H new ATOM 681 N PHE A 49 -6.948 3.808 -5.570 1.00 0.00 N ATOM 682 CA PHE A 49 -7.066 2.630 -4.719 1.00 0.00 C ATOM 683 C PHE A 49 -6.623 2.943 -3.293 1.00 0.00 C ATOM 684 O PHE A 49 -5.617 3.616 -3.062 1.00 0.00 O ATOM 685 CB PHE A 49 -6.230 1.480 -5.284 1.00 0.00 C ATOM 686 CG PHE A 49 -6.348 0.209 -4.494 1.00 0.00 C ATOM 687 CD1 PHE A 49 -7.380 -0.682 -4.738 1.00 0.00 C ATOM 688 CD2 PHE A 49 -5.426 -0.096 -3.505 1.00 0.00 C ATOM 689 CE1 PHE A 49 -7.491 -1.853 -4.013 1.00 0.00 C ATOM 690 CE2 PHE A 49 -5.531 -1.265 -2.777 1.00 0.00 C ATOM 691 CZ PHE A 49 -6.566 -2.145 -3.030 1.00 0.00 C ATOM 0 H PHE A 49 -6.415 4.574 -5.158 1.00 0.00 H new ATOM 0 HA PHE A 49 -8.114 2.331 -4.698 1.00 0.00 H new ATOM 0 HB2 PHE A 49 -6.537 1.289 -6.312 1.00 0.00 H new ATOM 0 HB3 PHE A 49 -5.183 1.783 -5.315 1.00 0.00 H new ATOM 0 HD1 PHE A 49 -8.107 -0.459 -5.505 1.00 0.00 H new ATOM 0 HD2 PHE A 49 -4.616 0.589 -3.301 1.00 0.00 H new ATOM 0 HE1 PHE A 49 -8.300 -2.539 -4.215 1.00 0.00 H new ATOM 0 HE2 PHE A 49 -4.805 -1.491 -2.010 1.00 0.00 H new ATOM 0 HZ PHE A 49 -6.651 -3.059 -2.461 1.00 0.00 H new ATOM 701 N PRO A 50 -7.390 2.445 -2.312 1.00 0.00 N ATOM 702 CA PRO A 50 -8.589 1.644 -2.575 1.00 0.00 C ATOM 703 C PRO A 50 -9.721 2.473 -3.173 1.00 0.00 C ATOM 704 O PRO A 50 -10.623 1.938 -3.815 1.00 0.00 O ATOM 705 CB PRO A 50 -8.981 1.126 -1.189 1.00 0.00 C ATOM 706 CG PRO A 50 -8.415 2.123 -0.238 1.00 0.00 C ATOM 707 CD PRO A 50 -7.147 2.626 -0.871 1.00 0.00 C ATOM 0 HA PRO A 50 -8.400 0.855 -3.303 1.00 0.00 H new ATOM 0 HB2 PRO A 50 -10.064 1.051 -1.086 1.00 0.00 H new ATOM 0 HB3 PRO A 50 -8.574 0.131 -1.008 1.00 0.00 H new ATOM 0 HG2 PRO A 50 -9.116 2.940 -0.066 1.00 0.00 H new ATOM 0 HG3 PRO A 50 -8.213 1.667 0.731 1.00 0.00 H new ATOM 0 HD2 PRO A 50 -6.961 3.671 -0.623 1.00 0.00 H new ATOM 0 HD3 PRO A 50 -6.278 2.059 -0.536 1.00 0.00 H new ATOM 715 N GLY A 51 -9.666 3.784 -2.957 1.00 0.00 N ATOM 716 CA GLY A 51 -10.692 4.666 -3.482 1.00 0.00 C ATOM 717 C GLY A 51 -11.921 4.716 -2.597 1.00 0.00 C ATOM 718 O GLY A 51 -11.910 5.352 -1.543 1.00 0.00 O ATOM 0 H GLY A 51 -8.929 4.251 -2.428 1.00 0.00 H new ATOM 0 HA2 GLY A 51 -10.283 5.671 -3.588 1.00 0.00 H new ATOM 0 HA3 GLY A 51 -10.979 4.332 -4.479 1.00 0.00 H new ATOM 772 N ARG A 55 -14.215 -2.784 1.679 1.00 0.00 N ATOM 773 CA ARG A 55 -13.404 -3.954 1.994 1.00 0.00 C ATOM 774 C ARG A 55 -12.001 -3.542 2.428 1.00 0.00 C ATOM 775 O ARG A 55 -11.458 -4.075 3.396 1.00 0.00 O ATOM 776 CB ARG A 55 -13.322 -4.885 0.783 1.00 0.00 C ATOM 777 CG ARG A 55 -14.635 -5.580 0.459 1.00 0.00 C ATOM 778 CD ARG A 55 -14.739 -6.927 1.157 1.00 0.00 C ATOM 779 NE ARG A 55 -14.059 -6.928 2.449 1.00 0.00 N ATOM 780 CZ ARG A 55 -14.359 -7.763 3.437 1.00 0.00 C ATOM 781 NH1 ARG A 55 -15.323 -8.660 3.281 1.00 0.00 N ATOM 782 NH2 ARG A 55 -13.695 -7.702 4.584 1.00 0.00 N ATOM 0 HA ARG A 55 -13.880 -4.483 2.819 1.00 0.00 H new ATOM 0 HB2 ARG A 55 -13.001 -4.310 -0.086 1.00 0.00 H new ATOM 0 HB3 ARG A 55 -12.557 -5.639 0.966 1.00 0.00 H new ATOM 0 HG2 ARG A 55 -15.468 -4.946 0.763 1.00 0.00 H new ATOM 0 HG3 ARG A 55 -14.718 -5.720 -0.619 1.00 0.00 H new ATOM 0 HD2 ARG A 55 -15.789 -7.181 1.300 1.00 0.00 H new ATOM 0 HD3 ARG A 55 -14.308 -7.700 0.520 1.00 0.00 H new ATOM 0 HE ARG A 55 -13.312 -6.250 2.601 1.00 0.00 H new ATOM 0 HH11 ARG A 55 -15.836 -8.710 2.401 1.00 0.00 H new ATOM 0 HH12 ARG A 55 -15.552 -9.300 4.041 1.00 0.00 H new ATOM 0 HH21 ARG A 55 -12.953 -7.013 4.708 1.00 0.00 H new ATOM 0 HH22 ARG A 55 -13.927 -8.344 5.342 1.00 0.00 H new ATOM 796 N ALA A 56 -11.419 -2.591 1.706 1.00 0.00 N ATOM 797 CA ALA A 56 -10.080 -2.106 2.018 1.00 0.00 C ATOM 798 C ALA A 56 -10.135 -0.757 2.725 1.00 0.00 C ATOM 799 O ALA A 56 -11.141 -0.050 2.660 1.00 0.00 O ATOM 800 CB ALA A 56 -9.246 -2.005 0.748 1.00 0.00 C ATOM 0 H ALA A 56 -11.854 -2.141 0.901 1.00 0.00 H new ATOM 0 HA ALA A 56 -9.610 -2.821 2.693 1.00 0.00 H new ATOM 0 HB1 ALA A 56 -8.249 -1.642 0.996 1.00 0.00 H new ATOM 0 HB2 ALA A 56 -9.169 -2.988 0.284 1.00 0.00 H new ATOM 0 HB3 ALA A 56 -9.722 -1.313 0.054 1.00 0.00 H new ATOM 806 N THR A 57 -9.047 -0.404 3.403 1.00 0.00 N ATOM 807 CA THR A 57 -8.972 0.860 4.125 1.00 0.00 C ATOM 808 C THR A 57 -7.530 1.208 4.476 1.00 0.00 C ATOM 809 O THR A 57 -6.613 0.426 4.221 1.00 0.00 O ATOM 810 CB THR A 57 -9.808 0.819 5.418 1.00 0.00 C ATOM 811 OG1 THR A 57 -9.913 2.134 5.975 1.00 0.00 O ATOM 812 CG2 THR A 57 -9.182 -0.121 6.437 1.00 0.00 C ATOM 0 H THR A 57 -8.205 -0.976 3.467 1.00 0.00 H new ATOM 0 HA THR A 57 -9.377 1.626 3.464 1.00 0.00 H new ATOM 0 HB THR A 57 -10.803 0.450 5.170 1.00 0.00 H new ATOM 0 HG1 THR A 57 -10.447 2.100 6.796 1.00 0.00 H new ATOM 0 HG21 THR A 57 -9.790 -0.134 7.342 1.00 0.00 H new ATOM 0 HG22 THR A 57 -9.130 -1.127 6.020 1.00 0.00 H new ATOM 0 HG23 THR A 57 -8.177 0.223 6.680 1.00 0.00 H new ATOM 820 N ILE A 58 -7.336 2.384 5.063 1.00 0.00 N ATOM 821 CA ILE A 58 -6.005 2.834 5.451 1.00 0.00 C ATOM 822 C ILE A 58 -5.995 3.347 6.887 1.00 0.00 C ATOM 823 O ILE A 58 -6.862 4.125 7.284 1.00 0.00 O ATOM 824 CB ILE A 58 -5.492 3.946 4.517 1.00 0.00 C ATOM 825 CG1 ILE A 58 -5.509 3.469 3.063 1.00 0.00 C ATOM 826 CG2 ILE A 58 -4.090 4.374 4.923 1.00 0.00 C ATOM 827 CD1 ILE A 58 -5.695 4.588 2.062 1.00 0.00 C ATOM 0 H ILE A 58 -8.084 3.043 5.280 1.00 0.00 H new ATOM 0 HA ILE A 58 -5.344 1.971 5.371 1.00 0.00 H new ATOM 0 HB ILE A 58 -6.154 4.808 4.605 1.00 0.00 H new ATOM 0 HG12 ILE A 58 -4.574 2.952 2.848 1.00 0.00 H new ATOM 0 HG13 ILE A 58 -6.312 2.742 2.937 1.00 0.00 H new ATOM 0 HG21 ILE A 58 -3.741 5.160 4.253 1.00 0.00 H new ATOM 0 HG22 ILE A 58 -4.106 4.749 5.946 1.00 0.00 H new ATOM 0 HG23 ILE A 58 -3.416 3.519 4.861 1.00 0.00 H new ATOM 0 HD11 ILE A 58 -5.697 4.177 1.053 1.00 0.00 H new ATOM 0 HD12 ILE A 58 -6.643 5.091 2.251 1.00 0.00 H new ATOM 0 HD13 ILE A 58 -4.879 5.304 2.160 1.00 0.00 H new ATOM 888 N GLY A 62 -0.741 5.407 7.371 1.00 0.00 N ATOM 889 CA GLY A 62 -0.824 5.007 5.979 1.00 0.00 C ATOM 890 C GLY A 62 -0.674 3.510 5.796 1.00 0.00 C ATOM 891 O GLY A 62 -0.027 3.053 4.853 1.00 0.00 O ATOM 0 HA2 GLY A 62 -1.782 5.326 5.569 1.00 0.00 H new ATOM 0 HA3 GLY A 62 -0.048 5.519 5.410 1.00 0.00 H new ATOM 895 N THR A 63 -1.272 2.742 6.702 1.00 0.00 N ATOM 896 CA THR A 63 -1.199 1.287 6.638 1.00 0.00 C ATOM 897 C THR A 63 -2.390 0.710 5.882 1.00 0.00 C ATOM 898 O THR A 63 -3.471 0.535 6.447 1.00 0.00 O ATOM 899 CB THR A 63 -1.148 0.665 8.046 1.00 0.00 C ATOM 900 OG1 THR A 63 -0.270 1.424 8.886 1.00 0.00 O ATOM 901 CG2 THR A 63 -0.676 -0.779 7.983 1.00 0.00 C ATOM 0 H THR A 63 -1.812 3.103 7.488 1.00 0.00 H new ATOM 0 HA THR A 63 -0.280 1.039 6.106 1.00 0.00 H new ATOM 0 HB THR A 63 -2.155 0.683 8.464 1.00 0.00 H new ATOM 0 HG1 THR A 63 -0.245 1.023 9.780 1.00 0.00 H new ATOM 0 HG21 THR A 63 -0.648 -1.197 8.989 1.00 0.00 H new ATOM 0 HG22 THR A 63 -1.363 -1.360 7.368 1.00 0.00 H new ATOM 0 HG23 THR A 63 0.322 -0.817 7.547 1.00 0.00 H new ATOM 909 N LEU A 64 -2.187 0.415 4.603 1.00 0.00 N ATOM 910 CA LEU A 64 -3.245 -0.145 3.769 1.00 0.00 C ATOM 911 C LEU A 64 -3.602 -1.558 4.218 1.00 0.00 C ATOM 912 O LEU A 64 -2.772 -2.465 4.162 1.00 0.00 O ATOM 913 CB LEU A 64 -2.813 -0.157 2.302 1.00 0.00 C ATOM 914 CG LEU A 64 -3.938 -0.081 1.270 1.00 0.00 C ATOM 915 CD1 LEU A 64 -3.405 0.411 -0.066 1.00 0.00 C ATOM 916 CD2 LEU A 64 -4.610 -1.437 1.112 1.00 0.00 C ATOM 0 H LEU A 64 -1.299 0.554 4.120 1.00 0.00 H new ATOM 0 HA LEU A 64 -4.129 0.484 3.875 1.00 0.00 H new ATOM 0 HB2 LEU A 64 -2.138 0.682 2.136 1.00 0.00 H new ATOM 0 HB3 LEU A 64 -2.241 -1.067 2.120 1.00 0.00 H new ATOM 0 HG LEU A 64 -4.683 0.632 1.625 1.00 0.00 H new ATOM 0 HD11 LEU A 64 -4.220 0.458 -0.788 1.00 0.00 H new ATOM 0 HD12 LEU A 64 -2.972 1.404 0.058 1.00 0.00 H new ATOM 0 HD13 LEU A 64 -2.640 -0.276 -0.428 1.00 0.00 H new ATOM 0 HD21 LEU A 64 -5.408 -1.364 0.373 1.00 0.00 H new ATOM 0 HD22 LEU A 64 -3.875 -2.171 0.781 1.00 0.00 H new ATOM 0 HD23 LEU A 64 -5.029 -1.749 2.069 1.00 0.00 H new ATOM 928 N GLN A 65 -4.843 -1.738 4.660 1.00 0.00 N ATOM 929 CA GLN A 65 -5.309 -3.041 5.117 1.00 0.00 C ATOM 930 C GLN A 65 -6.456 -3.544 4.246 1.00 0.00 C ATOM 931 O GLN A 65 -7.517 -2.922 4.180 1.00 0.00 O ATOM 932 CB GLN A 65 -5.757 -2.964 6.577 1.00 0.00 C ATOM 933 CG GLN A 65 -6.680 -4.099 6.992 1.00 0.00 C ATOM 934 CD GLN A 65 -8.143 -3.777 6.758 1.00 0.00 C ATOM 935 OE1 GLN A 65 -8.733 -4.405 5.747 1.00 0.00 O flip ATOM 936 NE2 GLN A 65 -8.736 -2.973 7.477 1.00 0.00 N flip ATOM 0 H GLN A 65 -5.543 -0.998 4.711 1.00 0.00 H new ATOM 0 HA GLN A 65 -4.480 -3.744 5.037 1.00 0.00 H new ATOM 0 HB2 GLN A 65 -4.876 -2.970 7.219 1.00 0.00 H new ATOM 0 HB3 GLN A 65 -6.266 -2.014 6.742 1.00 0.00 H new ATOM 0 HG2 GLN A 65 -6.416 -4.998 6.436 1.00 0.00 H new ATOM 0 HG3 GLN A 65 -6.525 -4.321 8.048 1.00 0.00 H new ATOM 0 HE21 GLN A 65 -8.243 -2.514 8.243 1.00 0.00 H new ATOM 0 HE22 GLN A 65 -9.720 -2.766 7.307 1.00 0.00 H new ATOM 945 N ILE A 66 -6.236 -4.673 3.580 1.00 0.00 N ATOM 946 CA ILE A 66 -7.252 -5.259 2.715 1.00 0.00 C ATOM 947 C ILE A 66 -7.646 -6.652 3.194 1.00 0.00 C ATOM 948 O ILE A 66 -6.791 -7.513 3.406 1.00 0.00 O ATOM 949 CB ILE A 66 -6.766 -5.349 1.256 1.00 0.00 C ATOM 950 CG1 ILE A 66 -6.069 -4.049 0.848 1.00 0.00 C ATOM 951 CG2 ILE A 66 -7.932 -5.646 0.326 1.00 0.00 C ATOM 952 CD1 ILE A 66 -5.058 -4.230 -0.263 1.00 0.00 C ATOM 0 H ILE A 66 -5.364 -5.200 3.623 1.00 0.00 H new ATOM 0 HA ILE A 66 -8.121 -4.602 2.760 1.00 0.00 H new ATOM 0 HB ILE A 66 -6.048 -6.165 1.177 1.00 0.00 H new ATOM 0 HG12 ILE A 66 -6.821 -3.327 0.530 1.00 0.00 H new ATOM 0 HG13 ILE A 66 -5.568 -3.625 1.719 1.00 0.00 H new ATOM 0 HG21 ILE A 66 -7.572 -5.706 -0.701 1.00 0.00 H new ATOM 0 HG22 ILE A 66 -8.389 -6.595 0.607 1.00 0.00 H new ATOM 0 HG23 ILE A 66 -8.672 -4.850 0.405 1.00 0.00 H new ATOM 0 HD11 ILE A 66 -4.603 -3.269 -0.501 1.00 0.00 H new ATOM 0 HD12 ILE A 66 -4.285 -4.928 0.059 1.00 0.00 H new ATOM 0 HD13 ILE A 66 -5.557 -4.624 -1.148 1.00 0.00 H new ATOM 964 N LYS A 67 -8.946 -6.869 3.362 1.00 0.00 N ATOM 965 CA LYS A 67 -9.455 -8.158 3.814 1.00 0.00 C ATOM 966 C LYS A 67 -10.101 -8.921 2.662 1.00 0.00 C ATOM 967 O LYS A 67 -10.518 -8.328 1.668 1.00 0.00 O ATOM 968 CB LYS A 67 -10.470 -7.962 4.942 1.00 0.00 C ATOM 969 CG LYS A 67 -9.832 -7.773 6.308 1.00 0.00 C ATOM 970 CD LYS A 67 -10.788 -8.152 7.427 1.00 0.00 C ATOM 971 CE LYS A 67 -10.211 -7.810 8.792 1.00 0.00 C ATOM 972 NZ LYS A 67 -11.061 -8.330 9.899 1.00 0.00 N ATOM 0 H LYS A 67 -9.667 -6.168 3.192 1.00 0.00 H new ATOM 0 HA LYS A 67 -8.614 -8.742 4.188 1.00 0.00 H new ATOM 0 HB2 LYS A 67 -11.089 -7.094 4.716 1.00 0.00 H new ATOM 0 HB3 LYS A 67 -11.134 -8.826 4.977 1.00 0.00 H new ATOM 0 HG2 LYS A 67 -8.930 -8.382 6.377 1.00 0.00 H new ATOM 0 HG3 LYS A 67 -9.525 -6.734 6.427 1.00 0.00 H new ATOM 0 HD2 LYS A 67 -11.735 -7.630 7.290 1.00 0.00 H new ATOM 0 HD3 LYS A 67 -11.002 -9.220 7.378 1.00 0.00 H new ATOM 0 HE2 LYS A 67 -9.208 -8.228 8.877 1.00 0.00 H new ATOM 0 HE3 LYS A 67 -10.115 -6.728 8.885 1.00 0.00 H new ATOM 0 HZ1 LYS A 67 -10.634 -8.077 10.813 1.00 0.00 H new ATOM 0 HZ2 LYS A 67 -12.011 -7.912 9.833 1.00 0.00 H new ATOM 0 HZ3 LYS A 67 -11.132 -9.365 9.825 1.00 0.00 H new ATOM 986 N ASN A 68 -10.182 -10.240 2.803 1.00 0.00 N ATOM 987 CA ASN A 68 -10.778 -11.084 1.774 1.00 0.00 C ATOM 988 C ASN A 68 -9.945 -11.056 0.497 1.00 0.00 C ATOM 989 O ASN A 68 -10.485 -11.053 -0.610 1.00 0.00 O ATOM 990 CB ASN A 68 -12.207 -10.627 1.475 1.00 0.00 C ATOM 991 CG ASN A 68 -13.077 -11.753 0.952 1.00 0.00 C ATOM 992 OD1 ASN A 68 -13.469 -11.759 -0.216 1.00 0.00 O ATOM 993 ND2 ASN A 68 -13.385 -12.714 1.816 1.00 0.00 N ATOM 0 H ASN A 68 -9.842 -10.748 3.620 1.00 0.00 H new ATOM 0 HA ASN A 68 -10.802 -12.108 2.148 1.00 0.00 H new ATOM 0 HB2 ASN A 68 -12.652 -10.219 2.382 1.00 0.00 H new ATOM 0 HB3 ASN A 68 -12.182 -9.821 0.742 1.00 0.00 H new ATOM 0 HD21 ASN A 68 -13.968 -13.497 1.521 1.00 0.00 H new ATOM 0 HD22 ASN A 68 -13.038 -12.669 2.774 1.00 0.00 H new ATOM 1000 N LEU A 69 -8.626 -11.035 0.657 1.00 0.00 N ATOM 1001 CA LEU A 69 -7.717 -11.008 -0.483 1.00 0.00 C ATOM 1002 C LEU A 69 -8.221 -11.911 -1.604 1.00 0.00 C ATOM 1003 O LEU A 69 -8.937 -12.882 -1.357 1.00 0.00 O ATOM 1004 CB LEU A 69 -6.315 -11.444 -0.053 1.00 0.00 C ATOM 1005 CG LEU A 69 -5.641 -10.580 1.013 1.00 0.00 C ATOM 1006 CD1 LEU A 69 -4.198 -11.014 1.219 1.00 0.00 C ATOM 1007 CD2 LEU A 69 -5.708 -9.109 0.629 1.00 0.00 C ATOM 0 H LEU A 69 -8.162 -11.036 1.566 1.00 0.00 H new ATOM 0 HA LEU A 69 -7.674 -9.985 -0.857 1.00 0.00 H new ATOM 0 HB2 LEU A 69 -6.373 -12.467 0.320 1.00 0.00 H new ATOM 0 HB3 LEU A 69 -5.675 -11.462 -0.935 1.00 0.00 H new ATOM 0 HG LEU A 69 -6.177 -10.714 1.953 1.00 0.00 H new ATOM 0 HD11 LEU A 69 -3.735 -10.387 1.981 1.00 0.00 H new ATOM 0 HD12 LEU A 69 -4.174 -12.055 1.541 1.00 0.00 H new ATOM 0 HD13 LEU A 69 -3.650 -10.911 0.283 1.00 0.00 H new ATOM 0 HD21 LEU A 69 -5.223 -8.509 1.399 1.00 0.00 H new ATOM 0 HD22 LEU A 69 -5.198 -8.958 -0.323 1.00 0.00 H new ATOM 0 HD23 LEU A 69 -6.750 -8.805 0.535 1.00 0.00 H new ATOM 1019 N ARG A 70 -7.841 -11.586 -2.835 1.00 0.00 N ATOM 1020 CA ARG A 70 -8.254 -12.369 -3.994 1.00 0.00 C ATOM 1021 C ARG A 70 -7.146 -12.415 -5.042 1.00 0.00 C ATOM 1022 O ARG A 70 -6.455 -11.422 -5.273 1.00 0.00 O ATOM 1023 CB ARG A 70 -9.526 -11.780 -4.606 1.00 0.00 C ATOM 1024 CG ARG A 70 -10.761 -11.960 -3.738 1.00 0.00 C ATOM 1025 CD ARG A 70 -12.031 -11.980 -4.573 1.00 0.00 C ATOM 1026 NE ARG A 70 -12.317 -13.312 -5.101 1.00 0.00 N ATOM 1027 CZ ARG A 70 -12.666 -14.344 -4.342 1.00 0.00 C ATOM 1028 NH1 ARG A 70 -12.771 -14.200 -3.028 1.00 0.00 N ATOM 1029 NH2 ARG A 70 -12.910 -15.525 -4.897 1.00 0.00 N ATOM 0 H ARG A 70 -7.248 -10.786 -3.056 1.00 0.00 H new ATOM 0 HA ARG A 70 -8.457 -13.387 -3.660 1.00 0.00 H new ATOM 0 HB2 ARG A 70 -9.372 -10.716 -4.788 1.00 0.00 H new ATOM 0 HB3 ARG A 70 -9.702 -12.247 -5.575 1.00 0.00 H new ATOM 0 HG2 ARG A 70 -10.679 -12.890 -3.176 1.00 0.00 H new ATOM 0 HG3 ARG A 70 -10.816 -11.151 -3.010 1.00 0.00 H new ATOM 0 HD2 ARG A 70 -12.870 -11.643 -3.965 1.00 0.00 H new ATOM 0 HD3 ARG A 70 -11.933 -11.276 -5.399 1.00 0.00 H new ATOM 0 HE ARG A 70 -12.245 -13.457 -6.108 1.00 0.00 H new ATOM 0 HH11 ARG A 70 -12.583 -13.294 -2.598 1.00 0.00 H new ATOM 0 HH12 ARG A 70 -13.039 -14.995 -2.448 1.00 0.00 H new ATOM 0 HH21 ARG A 70 -12.829 -15.640 -5.907 1.00 0.00 H new ATOM 0 HH22 ARG A 70 -13.178 -16.317 -4.313 1.00 0.00 H new ATOM 1043 N ILE A 71 -6.983 -13.573 -5.672 1.00 0.00 N ATOM 1044 CA ILE A 71 -5.959 -13.747 -6.695 1.00 0.00 C ATOM 1045 C ILE A 71 -5.846 -12.508 -7.576 1.00 0.00 C ATOM 1046 O ILE A 71 -4.753 -12.134 -8.001 1.00 0.00 O ATOM 1047 CB ILE A 71 -6.255 -14.970 -7.584 1.00 0.00 C ATOM 1048 CG1 ILE A 71 -6.245 -16.251 -6.747 1.00 0.00 C ATOM 1049 CG2 ILE A 71 -5.239 -15.061 -8.713 1.00 0.00 C ATOM 1050 CD1 ILE A 71 -4.879 -16.609 -6.206 1.00 0.00 C ATOM 0 H ILE A 71 -7.546 -14.404 -5.492 1.00 0.00 H new ATOM 0 HA ILE A 71 -5.015 -13.906 -6.174 1.00 0.00 H new ATOM 0 HB ILE A 71 -7.246 -14.852 -8.021 1.00 0.00 H new ATOM 0 HG12 ILE A 71 -6.938 -16.136 -5.914 1.00 0.00 H new ATOM 0 HG13 ILE A 71 -6.613 -17.076 -7.356 1.00 0.00 H new ATOM 0 HG21 ILE A 71 -5.461 -15.930 -9.333 1.00 0.00 H new ATOM 0 HG22 ILE A 71 -5.290 -14.158 -9.322 1.00 0.00 H new ATOM 0 HG23 ILE A 71 -4.238 -15.160 -8.294 1.00 0.00 H new ATOM 0 HD11 ILE A 71 -4.948 -17.527 -5.623 1.00 0.00 H new ATOM 0 HD12 ILE A 71 -4.187 -16.756 -7.035 1.00 0.00 H new ATOM 0 HD13 ILE A 71 -4.517 -15.802 -5.570 1.00 0.00 H new ATOM 1062 N SER A 72 -6.983 -11.874 -7.845 1.00 0.00 N ATOM 1063 CA SER A 72 -7.012 -10.677 -8.678 1.00 0.00 C ATOM 1064 C SER A 72 -6.272 -9.527 -8.001 1.00 0.00 C ATOM 1065 O SER A 72 -5.514 -8.799 -8.642 1.00 0.00 O ATOM 1066 CB SER A 72 -8.457 -10.268 -8.969 1.00 0.00 C ATOM 1067 OG SER A 72 -9.094 -11.212 -9.813 1.00 0.00 O ATOM 0 H SER A 72 -7.896 -12.169 -7.498 1.00 0.00 H new ATOM 0 HA SER A 72 -6.510 -10.906 -9.618 1.00 0.00 H new ATOM 0 HB2 SER A 72 -9.009 -10.181 -8.033 1.00 0.00 H new ATOM 0 HB3 SER A 72 -8.472 -9.285 -9.440 1.00 0.00 H new ATOM 0 HG SER A 72 -10.017 -10.929 -9.983 1.00 0.00 H new ATOM 1073 N ASP A 73 -6.500 -9.369 -6.702 1.00 0.00 N ATOM 1074 CA ASP A 73 -5.855 -8.308 -5.936 1.00 0.00 C ATOM 1075 C ASP A 73 -4.378 -8.196 -6.299 1.00 0.00 C ATOM 1076 O ASP A 73 -3.815 -7.101 -6.327 1.00 0.00 O ATOM 1077 CB ASP A 73 -6.006 -8.569 -4.436 1.00 0.00 C ATOM 1078 CG ASP A 73 -7.433 -8.388 -3.958 1.00 0.00 C ATOM 1079 OD1 ASP A 73 -8.362 -8.632 -4.756 1.00 0.00 O ATOM 1080 OD2 ASP A 73 -7.622 -8.003 -2.785 1.00 0.00 O ATOM 0 H ASP A 73 -7.126 -9.962 -6.157 1.00 0.00 H new ATOM 0 HA ASP A 73 -6.344 -7.366 -6.184 1.00 0.00 H new ATOM 0 HB2 ASP A 73 -5.677 -9.584 -4.212 1.00 0.00 H new ATOM 0 HB3 ASP A 73 -5.353 -7.893 -3.885 1.00 0.00 H new ATOM 1085 N THR A 74 -3.754 -9.337 -6.577 1.00 0.00 N ATOM 1086 CA THR A 74 -2.342 -9.367 -6.936 1.00 0.00 C ATOM 1087 C THR A 74 -2.020 -8.314 -7.990 1.00 0.00 C ATOM 1088 O THR A 74 -2.426 -8.434 -9.145 1.00 0.00 O ATOM 1089 CB THR A 74 -1.927 -10.753 -7.467 1.00 0.00 C ATOM 1090 OG1 THR A 74 -2.114 -11.743 -6.450 1.00 0.00 O ATOM 1091 CG2 THR A 74 -0.474 -10.747 -7.916 1.00 0.00 C ATOM 0 H THR A 74 -4.205 -10.252 -6.560 1.00 0.00 H new ATOM 0 HA THR A 74 -1.780 -9.151 -6.027 1.00 0.00 H new ATOM 0 HB THR A 74 -2.555 -10.992 -8.325 1.00 0.00 H new ATOM 0 HG1 THR A 74 -2.970 -12.200 -6.591 1.00 0.00 H new ATOM 0 HG21 THR A 74 -0.204 -11.736 -8.287 1.00 0.00 H new ATOM 0 HG22 THR A 74 -0.342 -10.013 -8.711 1.00 0.00 H new ATOM 0 HG23 THR A 74 0.166 -10.488 -7.073 1.00 0.00 H new ATOM 1099 N GLY A 75 -1.286 -7.282 -7.585 1.00 0.00 N ATOM 1100 CA GLY A 75 -0.921 -6.223 -8.507 1.00 0.00 C ATOM 1101 C GLY A 75 0.316 -5.469 -8.064 1.00 0.00 C ATOM 1102 O GLY A 75 1.027 -5.904 -7.157 1.00 0.00 O ATOM 0 H GLY A 75 -0.938 -7.161 -6.634 1.00 0.00 H new ATOM 0 HA2 GLY A 75 -0.748 -6.649 -9.495 1.00 0.00 H new ATOM 0 HA3 GLY A 75 -1.753 -5.525 -8.602 1.00 0.00 H new ATOM 1106 N THR A 76 0.577 -4.333 -8.705 1.00 0.00 N ATOM 1107 CA THR A 76 1.738 -3.518 -8.374 1.00 0.00 C ATOM 1108 C THR A 76 1.332 -2.275 -7.590 1.00 0.00 C ATOM 1109 O THR A 76 0.943 -1.262 -8.172 1.00 0.00 O ATOM 1110 CB THR A 76 2.501 -3.085 -9.640 1.00 0.00 C ATOM 1111 OG1 THR A 76 2.994 -4.238 -10.333 1.00 0.00 O ATOM 1112 CG2 THR A 76 3.660 -2.166 -9.286 1.00 0.00 C ATOM 0 H THR A 76 -0.001 -3.957 -9.457 1.00 0.00 H new ATOM 0 HA THR A 76 2.392 -4.136 -7.758 1.00 0.00 H new ATOM 0 HB THR A 76 1.811 -2.541 -10.285 1.00 0.00 H new ATOM 0 HG1 THR A 76 3.476 -3.955 -11.138 1.00 0.00 H new ATOM 0 HG21 THR A 76 4.184 -1.874 -10.196 1.00 0.00 H new ATOM 0 HG22 THR A 76 3.279 -1.276 -8.785 1.00 0.00 H new ATOM 0 HG23 THR A 76 4.349 -2.689 -8.623 1.00 0.00 H new ATOM 1120 N TYR A 77 1.425 -2.358 -6.268 1.00 0.00 N ATOM 1121 CA TYR A 77 1.065 -1.240 -5.404 1.00 0.00 C ATOM 1122 C TYR A 77 2.054 -0.090 -5.561 1.00 0.00 C ATOM 1123 O TYR A 77 3.259 -0.305 -5.697 1.00 0.00 O ATOM 1124 CB TYR A 77 1.018 -1.691 -3.943 1.00 0.00 C ATOM 1125 CG TYR A 77 -0.154 -2.591 -3.624 1.00 0.00 C ATOM 1126 CD1 TYR A 77 -1.444 -2.080 -3.542 1.00 0.00 C ATOM 1127 CD2 TYR A 77 0.027 -3.950 -3.404 1.00 0.00 C ATOM 1128 CE1 TYR A 77 -2.519 -2.898 -3.250 1.00 0.00 C ATOM 1129 CE2 TYR A 77 -1.042 -4.776 -3.113 1.00 0.00 C ATOM 1130 CZ TYR A 77 -2.312 -4.245 -3.037 1.00 0.00 C ATOM 1131 OH TYR A 77 -3.380 -5.064 -2.746 1.00 0.00 O ATOM 0 H TYR A 77 1.747 -3.188 -5.771 1.00 0.00 H new ATOM 0 HA TYR A 77 0.077 -0.889 -5.701 1.00 0.00 H new ATOM 0 HB2 TYR A 77 1.943 -2.215 -3.703 1.00 0.00 H new ATOM 0 HB3 TYR A 77 0.975 -0.811 -3.301 1.00 0.00 H new ATOM 0 HD1 TYR A 77 -1.609 -1.026 -3.709 1.00 0.00 H new ATOM 0 HD2 TYR A 77 1.021 -4.369 -3.461 1.00 0.00 H new ATOM 0 HE1 TYR A 77 -3.515 -2.485 -3.189 1.00 0.00 H new ATOM 0 HE2 TYR A 77 -0.883 -5.831 -2.946 1.00 0.00 H new ATOM 0 HH TYR A 77 -3.201 -5.967 -3.082 1.00 0.00 H new ATOM 1141 N THR A 78 1.536 1.135 -5.542 1.00 0.00 N ATOM 1142 CA THR A 78 2.372 2.320 -5.683 1.00 0.00 C ATOM 1143 C THR A 78 2.006 3.377 -4.647 1.00 0.00 C ATOM 1144 O THR A 78 0.935 3.983 -4.715 1.00 0.00 O ATOM 1145 CB THR A 78 2.247 2.932 -7.091 1.00 0.00 C ATOM 1146 OG1 THR A 78 2.620 1.966 -8.080 1.00 0.00 O ATOM 1147 CG2 THR A 78 3.124 4.167 -7.224 1.00 0.00 C ATOM 0 H THR A 78 0.541 1.331 -5.430 1.00 0.00 H new ATOM 0 HA THR A 78 3.402 2.001 -5.524 1.00 0.00 H new ATOM 0 HB THR A 78 1.209 3.226 -7.245 1.00 0.00 H new ATOM 0 HG1 THR A 78 2.536 2.362 -8.972 1.00 0.00 H new ATOM 0 HG21 THR A 78 3.019 4.582 -8.227 1.00 0.00 H new ATOM 0 HG22 THR A 78 2.818 4.912 -6.489 1.00 0.00 H new ATOM 0 HG23 THR A 78 4.165 3.894 -7.051 1.00 0.00 H new ATOM 1155 N CYS A 79 2.900 3.596 -3.690 1.00 0.00 N ATOM 1156 CA CYS A 79 2.671 4.581 -2.639 1.00 0.00 C ATOM 1157 C CYS A 79 3.136 5.965 -3.081 1.00 0.00 C ATOM 1158 O CYS A 79 4.333 6.210 -3.238 1.00 0.00 O ATOM 1159 CB CYS A 79 3.401 4.170 -1.359 1.00 0.00 C ATOM 1160 SG CYS A 79 2.803 5.014 0.141 1.00 0.00 S ATOM 0 H CYS A 79 3.791 3.104 -3.620 1.00 0.00 H new ATOM 0 HA CYS A 79 1.600 4.623 -2.441 1.00 0.00 H new ATOM 0 HB2 CYS A 79 3.297 3.094 -1.223 1.00 0.00 H new ATOM 0 HB3 CYS A 79 4.465 4.375 -1.478 1.00 0.00 H new ATOM 1165 N VAL A 80 2.182 6.869 -3.280 1.00 0.00 N ATOM 1166 CA VAL A 80 2.492 8.229 -3.702 1.00 0.00 C ATOM 1167 C VAL A 80 2.245 9.224 -2.574 1.00 0.00 C ATOM 1168 O VAL A 80 1.172 9.242 -1.972 1.00 0.00 O ATOM 1169 CB VAL A 80 1.655 8.641 -4.928 1.00 0.00 C ATOM 1170 CG1 VAL A 80 2.021 10.048 -5.376 1.00 0.00 C ATOM 1171 CG2 VAL A 80 1.846 7.645 -6.062 1.00 0.00 C ATOM 0 H VAL A 80 1.187 6.683 -3.155 1.00 0.00 H new ATOM 0 HA VAL A 80 3.548 8.244 -3.971 1.00 0.00 H new ATOM 0 HB VAL A 80 0.602 8.638 -4.645 1.00 0.00 H new ATOM 0 HG11 VAL A 80 1.420 10.322 -6.243 1.00 0.00 H new ATOM 0 HG12 VAL A 80 1.828 10.750 -4.565 1.00 0.00 H new ATOM 0 HG13 VAL A 80 3.078 10.082 -5.642 1.00 0.00 H new ATOM 0 HG21 VAL A 80 1.248 7.951 -6.920 1.00 0.00 H new ATOM 0 HG22 VAL A 80 2.898 7.614 -6.346 1.00 0.00 H new ATOM 0 HG23 VAL A 80 1.529 6.655 -5.734 1.00 0.00 H new ATOM 1181 N ALA A 81 3.247 10.052 -2.294 1.00 0.00 N ATOM 1182 CA ALA A 81 3.138 11.053 -1.239 1.00 0.00 C ATOM 1183 C ALA A 81 3.324 12.460 -1.797 1.00 0.00 C ATOM 1184 O ALA A 81 4.447 12.958 -1.893 1.00 0.00 O ATOM 1185 CB ALA A 81 4.156 10.778 -0.143 1.00 0.00 C ATOM 0 H ALA A 81 4.142 10.049 -2.783 1.00 0.00 H new ATOM 0 HA ALA A 81 2.137 10.989 -0.813 1.00 0.00 H new ATOM 0 HB1 ALA A 81 4.063 11.533 0.638 1.00 0.00 H new ATOM 0 HB2 ALA A 81 3.974 9.791 0.283 1.00 0.00 H new ATOM 0 HB3 ALA A 81 5.161 10.812 -0.563 1.00 0.00 H new ATOM 1191 N THR A 82 2.217 13.098 -2.164 1.00 0.00 N ATOM 1192 CA THR A 82 2.259 14.447 -2.713 1.00 0.00 C ATOM 1193 C THR A 82 2.347 15.490 -1.605 1.00 0.00 C ATOM 1194 O THR A 82 1.772 15.317 -0.530 1.00 0.00 O ATOM 1195 CB THR A 82 1.020 14.739 -3.580 1.00 0.00 C ATOM 1196 OG1 THR A 82 0.767 13.638 -4.460 1.00 0.00 O ATOM 1197 CG2 THR A 82 1.215 16.010 -4.393 1.00 0.00 C ATOM 0 H THR A 82 1.280 12.702 -2.091 1.00 0.00 H new ATOM 0 HA THR A 82 3.152 14.507 -3.336 1.00 0.00 H new ATOM 0 HB THR A 82 0.166 14.878 -2.918 1.00 0.00 H new ATOM 0 HG1 THR A 82 1.276 13.758 -5.289 1.00 0.00 H new ATOM 0 HG21 THR A 82 0.327 16.195 -4.997 1.00 0.00 H new ATOM 0 HG22 THR A 82 1.378 16.851 -3.719 1.00 0.00 H new ATOM 0 HG23 THR A 82 2.080 15.895 -5.046 1.00 0.00 H new ATOM 1205 N SER A 83 3.070 16.573 -1.873 1.00 0.00 N ATOM 1206 CA SER A 83 3.236 17.643 -0.896 1.00 0.00 C ATOM 1207 C SER A 83 3.673 18.936 -1.577 1.00 0.00 C ATOM 1208 O SER A 83 4.334 18.912 -2.615 1.00 0.00 O ATOM 1209 CB SER A 83 4.261 17.239 0.165 1.00 0.00 C ATOM 1210 OG SER A 83 5.475 16.817 -0.433 1.00 0.00 O ATOM 0 H SER A 83 3.550 16.733 -2.759 1.00 0.00 H new ATOM 0 HA SER A 83 2.274 17.814 -0.413 1.00 0.00 H new ATOM 0 HB2 SER A 83 4.453 18.082 0.829 1.00 0.00 H new ATOM 0 HB3 SER A 83 3.856 16.435 0.779 1.00 0.00 H new ATOM 0 HG SER A 83 6.133 17.541 -0.383 1.00 0.00 H new ATOM 1216 N SER A 84 3.300 20.065 -0.983 1.00 0.00 N ATOM 1217 CA SER A 84 3.649 21.370 -1.533 1.00 0.00 C ATOM 1218 C SER A 84 5.061 21.355 -2.111 1.00 0.00 C ATOM 1219 O SER A 84 5.328 21.972 -3.142 1.00 0.00 O ATOM 1220 CB SER A 84 3.540 22.448 -0.453 1.00 0.00 C ATOM 1221 OG SER A 84 2.216 22.946 -0.363 1.00 0.00 O ATOM 0 H SER A 84 2.756 20.102 -0.121 1.00 0.00 H new ATOM 0 HA SER A 84 2.948 21.598 -2.336 1.00 0.00 H new ATOM 0 HB2 SER A 84 3.843 22.035 0.509 1.00 0.00 H new ATOM 0 HB3 SER A 84 4.225 23.265 -0.680 1.00 0.00 H new ATOM 0 HG SER A 84 2.171 23.632 0.335 1.00 0.00 H new ATOM 1227 N SER A 85 5.962 20.645 -1.438 1.00 0.00 N ATOM 1228 CA SER A 85 7.348 20.552 -1.882 1.00 0.00 C ATOM 1229 C SER A 85 7.442 19.827 -3.221 1.00 0.00 C ATOM 1230 O SER A 85 7.839 20.410 -4.229 1.00 0.00 O ATOM 1231 CB SER A 85 8.193 19.825 -0.834 1.00 0.00 C ATOM 1232 OG SER A 85 7.564 18.627 -0.414 1.00 0.00 O ATOM 0 H SER A 85 5.757 20.126 -0.584 1.00 0.00 H new ATOM 0 HA SER A 85 7.732 21.564 -2.010 1.00 0.00 H new ATOM 0 HB2 SER A 85 9.175 19.598 -1.248 1.00 0.00 H new ATOM 0 HB3 SER A 85 8.352 20.477 0.025 1.00 0.00 H new ATOM 0 HG SER A 85 8.124 18.180 0.254 1.00 0.00 H new ATOM 1238 N GLY A 86 7.074 18.549 -3.222 1.00 0.00 N ATOM 1239 CA GLY A 86 7.124 17.764 -4.441 1.00 0.00 C ATOM 1240 C GLY A 86 6.249 16.528 -4.371 1.00 0.00 C ATOM 1241 O GLY A 86 5.216 16.529 -3.703 1.00 0.00 O ATOM 0 H GLY A 86 6.742 18.044 -2.400 1.00 0.00 H new ATOM 0 HA2 GLY A 86 6.807 18.382 -5.281 1.00 0.00 H new ATOM 0 HA3 GLY A 86 8.154 17.466 -4.635 1.00 0.00 H new ATOM 1245 N GLU A 87 6.663 15.471 -5.064 1.00 0.00 N ATOM 1246 CA GLU A 87 5.907 14.224 -5.079 1.00 0.00 C ATOM 1247 C GLU A 87 6.833 13.029 -5.288 1.00 0.00 C ATOM 1248 O GLU A 87 7.721 13.059 -6.140 1.00 0.00 O ATOM 1249 CB GLU A 87 4.845 14.259 -6.180 1.00 0.00 C ATOM 1250 CG GLU A 87 4.130 12.933 -6.378 1.00 0.00 C ATOM 1251 CD GLU A 87 3.205 12.943 -7.579 1.00 0.00 C ATOM 1252 OE1 GLU A 87 3.673 12.621 -8.691 1.00 0.00 O ATOM 1253 OE2 GLU A 87 2.013 13.274 -7.407 1.00 0.00 O ATOM 0 H GLU A 87 7.517 15.454 -5.622 1.00 0.00 H new ATOM 0 HA GLU A 87 5.415 14.116 -4.113 1.00 0.00 H new ATOM 0 HB2 GLU A 87 4.109 15.026 -5.939 1.00 0.00 H new ATOM 0 HB3 GLU A 87 5.316 14.552 -7.118 1.00 0.00 H new ATOM 0 HG2 GLU A 87 4.869 12.141 -6.500 1.00 0.00 H new ATOM 0 HG3 GLU A 87 3.554 12.698 -5.483 1.00 0.00 H new ATOM 1260 N THR A 88 6.619 11.978 -4.503 1.00 0.00 N ATOM 1261 CA THR A 88 7.434 10.774 -4.599 1.00 0.00 C ATOM 1262 C THR A 88 6.564 9.523 -4.648 1.00 0.00 C ATOM 1263 O THR A 88 5.540 9.441 -3.969 1.00 0.00 O ATOM 1264 CB THR A 88 8.411 10.660 -3.413 1.00 0.00 C ATOM 1265 OG1 THR A 88 9.496 9.790 -3.754 1.00 0.00 O ATOM 1266 CG2 THR A 88 7.700 10.132 -2.176 1.00 0.00 C ATOM 0 H THR A 88 5.888 11.937 -3.793 1.00 0.00 H new ATOM 0 HA THR A 88 8.005 10.853 -5.524 1.00 0.00 H new ATOM 0 HB THR A 88 8.799 11.655 -3.193 1.00 0.00 H new ATOM 0 HG1 THR A 88 10.113 9.724 -2.996 1.00 0.00 H new ATOM 0 HG21 THR A 88 8.409 10.060 -1.352 1.00 0.00 H new ATOM 0 HG22 THR A 88 6.893 10.812 -1.902 1.00 0.00 H new ATOM 0 HG23 THR A 88 7.287 9.145 -2.387 1.00 0.00 H new ATOM 1274 N SER A 89 6.977 8.551 -5.455 1.00 0.00 N ATOM 1275 CA SER A 89 6.233 7.305 -5.595 1.00 0.00 C ATOM 1276 C SER A 89 7.133 6.102 -5.332 1.00 0.00 C ATOM 1277 O SER A 89 8.330 6.136 -5.617 1.00 0.00 O ATOM 1278 CB SER A 89 5.623 7.205 -6.994 1.00 0.00 C ATOM 1279 OG SER A 89 6.632 7.096 -7.983 1.00 0.00 O ATOM 0 H SER A 89 7.823 8.603 -6.022 1.00 0.00 H new ATOM 0 HA SER A 89 5.431 7.304 -4.857 1.00 0.00 H new ATOM 0 HB2 SER A 89 4.964 6.339 -7.046 1.00 0.00 H new ATOM 0 HB3 SER A 89 5.010 8.085 -7.191 1.00 0.00 H new ATOM 0 HG SER A 89 6.217 7.032 -8.868 1.00 0.00 H new ATOM 1285 N TRP A 90 6.548 5.041 -4.788 1.00 0.00 N ATOM 1286 CA TRP A 90 7.297 3.826 -4.487 1.00 0.00 C ATOM 1287 C TRP A 90 6.907 2.697 -5.434 1.00 0.00 C ATOM 1288 O TRP A 90 6.033 2.863 -6.285 1.00 0.00 O ATOM 1289 CB TRP A 90 7.055 3.400 -3.038 1.00 0.00 C ATOM 1290 CG TRP A 90 8.197 2.630 -2.447 1.00 0.00 C ATOM 1291 CD1 TRP A 90 8.304 1.273 -2.341 1.00 0.00 C ATOM 1292 CD2 TRP A 90 9.394 3.174 -1.878 1.00 0.00 C ATOM 1293 NE1 TRP A 90 9.494 0.940 -1.741 1.00 0.00 N ATOM 1294 CE2 TRP A 90 10.181 2.088 -1.449 1.00 0.00 C ATOM 1295 CE3 TRP A 90 9.877 4.472 -1.692 1.00 0.00 C ATOM 1296 CZ2 TRP A 90 11.424 2.263 -0.844 1.00 0.00 C ATOM 1297 CZ3 TRP A 90 11.110 4.644 -1.092 1.00 0.00 C ATOM 1298 CH2 TRP A 90 11.872 3.544 -0.675 1.00 0.00 C ATOM 0 H TRP A 90 5.558 4.997 -4.546 1.00 0.00 H new ATOM 0 HA TRP A 90 8.357 4.039 -4.624 1.00 0.00 H new ATOM 0 HB2 TRP A 90 6.872 4.287 -2.432 1.00 0.00 H new ATOM 0 HB3 TRP A 90 6.153 2.790 -2.992 1.00 0.00 H new ATOM 0 HD1 TRP A 90 7.562 0.565 -2.679 1.00 0.00 H new ATOM 0 HE1 TRP A 90 9.814 -0.008 -1.545 1.00 0.00 H new ATOM 0 HE3 TRP A 90 9.297 5.325 -2.011 1.00 0.00 H new ATOM 0 HZ2 TRP A 90 12.013 1.417 -0.520 1.00 0.00 H new ATOM 0 HZ3 TRP A 90 11.493 5.643 -0.942 1.00 0.00 H new ATOM 0 HH2 TRP A 90 12.833 3.711 -0.211 1.00 0.00 H new ATOM 1309 N SER A 91 7.559 1.549 -5.280 1.00 0.00 N ATOM 1310 CA SER A 91 7.282 0.394 -6.125 1.00 0.00 C ATOM 1311 C SER A 91 7.193 -0.880 -5.291 1.00 0.00 C ATOM 1312 O SER A 91 8.026 -1.124 -4.418 1.00 0.00 O ATOM 1313 CB SER A 91 8.368 0.243 -7.192 1.00 0.00 C ATOM 1314 OG SER A 91 9.648 0.101 -6.600 1.00 0.00 O ATOM 0 H SER A 91 8.283 1.394 -4.578 1.00 0.00 H new ATOM 0 HA SER A 91 6.322 0.556 -6.615 1.00 0.00 H new ATOM 0 HB2 SER A 91 8.153 -0.626 -7.814 1.00 0.00 H new ATOM 0 HB3 SER A 91 8.362 1.114 -7.848 1.00 0.00 H new ATOM 0 HG SER A 91 10.324 0.004 -7.303 1.00 0.00 H new ATOM 1320 N ALA A 92 6.176 -1.690 -5.566 1.00 0.00 N ATOM 1321 CA ALA A 92 5.978 -2.940 -4.842 1.00 0.00 C ATOM 1322 C ALA A 92 5.019 -3.861 -5.590 1.00 0.00 C ATOM 1323 O ALA A 92 4.525 -3.519 -6.665 1.00 0.00 O ATOM 1324 CB ALA A 92 5.459 -2.662 -3.439 1.00 0.00 C ATOM 0 H ALA A 92 5.477 -1.503 -6.285 1.00 0.00 H new ATOM 0 HA ALA A 92 6.942 -3.444 -4.767 1.00 0.00 H new ATOM 0 HB1 ALA A 92 5.316 -3.605 -2.911 1.00 0.00 H new ATOM 0 HB2 ALA A 92 6.181 -2.049 -2.899 1.00 0.00 H new ATOM 0 HB3 ALA A 92 4.508 -2.133 -3.501 1.00 0.00 H new ATOM 1330 N VAL A 93 4.760 -5.031 -5.015 1.00 0.00 N ATOM 1331 CA VAL A 93 3.860 -6.001 -5.627 1.00 0.00 C ATOM 1332 C VAL A 93 3.377 -7.024 -4.604 1.00 0.00 C ATOM 1333 O VAL A 93 4.111 -7.395 -3.687 1.00 0.00 O ATOM 1334 CB VAL A 93 4.540 -6.740 -6.794 1.00 0.00 C ATOM 1335 CG1 VAL A 93 5.817 -7.419 -6.324 1.00 0.00 C ATOM 1336 CG2 VAL A 93 3.586 -7.750 -7.414 1.00 0.00 C ATOM 0 H VAL A 93 5.161 -5.330 -4.126 1.00 0.00 H new ATOM 0 HA VAL A 93 3.006 -5.442 -6.010 1.00 0.00 H new ATOM 0 HB VAL A 93 4.805 -6.010 -7.558 1.00 0.00 H new ATOM 0 HG11 VAL A 93 6.284 -7.936 -7.162 1.00 0.00 H new ATOM 0 HG12 VAL A 93 6.504 -6.670 -5.932 1.00 0.00 H new ATOM 0 HG13 VAL A 93 5.579 -8.139 -5.541 1.00 0.00 H new ATOM 0 HG21 VAL A 93 4.084 -8.263 -8.237 1.00 0.00 H new ATOM 0 HG22 VAL A 93 3.287 -8.479 -6.660 1.00 0.00 H new ATOM 0 HG23 VAL A 93 2.703 -7.233 -7.789 1.00 0.00 H new ATOM 1346 N LEU A 94 2.139 -7.478 -4.769 1.00 0.00 N ATOM 1347 CA LEU A 94 1.558 -8.460 -3.860 1.00 0.00 C ATOM 1348 C LEU A 94 1.287 -9.776 -4.582 1.00 0.00 C ATOM 1349 O LEU A 94 0.589 -9.808 -5.596 1.00 0.00 O ATOM 1350 CB LEU A 94 0.260 -7.920 -3.257 1.00 0.00 C ATOM 1351 CG LEU A 94 -0.686 -8.961 -2.658 1.00 0.00 C ATOM 1352 CD1 LEU A 94 -0.169 -9.440 -1.311 1.00 0.00 C ATOM 1353 CD2 LEU A 94 -2.090 -8.389 -2.521 1.00 0.00 C ATOM 0 H LEU A 94 1.519 -7.182 -5.523 1.00 0.00 H new ATOM 0 HA LEU A 94 2.274 -8.646 -3.059 1.00 0.00 H new ATOM 0 HB2 LEU A 94 0.516 -7.201 -2.479 1.00 0.00 H new ATOM 0 HB3 LEU A 94 -0.277 -7.373 -4.032 1.00 0.00 H new ATOM 0 HG LEU A 94 -0.728 -9.817 -3.332 1.00 0.00 H new ATOM 0 HD11 LEU A 94 -0.855 -10.180 -0.900 1.00 0.00 H new ATOM 0 HD12 LEU A 94 0.816 -9.889 -1.438 1.00 0.00 H new ATOM 0 HD13 LEU A 94 -0.096 -8.594 -0.627 1.00 0.00 H new ATOM 0 HD21 LEU A 94 -2.750 -9.143 -2.093 1.00 0.00 H new ATOM 0 HD22 LEU A 94 -2.065 -7.516 -1.868 1.00 0.00 H new ATOM 0 HD23 LEU A 94 -2.461 -8.097 -3.503 1.00 0.00 H new ATOM 1365 N ASP A 95 1.842 -10.861 -4.052 1.00 0.00 N ATOM 1366 CA ASP A 95 1.658 -12.181 -4.644 1.00 0.00 C ATOM 1367 C ASP A 95 0.694 -13.020 -3.810 1.00 0.00 C ATOM 1368 O ASP A 95 1.096 -13.669 -2.844 1.00 0.00 O ATOM 1369 CB ASP A 95 3.002 -12.899 -4.769 1.00 0.00 C ATOM 1370 CG ASP A 95 3.694 -12.606 -6.085 1.00 0.00 C ATOM 1371 OD1 ASP A 95 3.720 -11.426 -6.493 1.00 0.00 O ATOM 1372 OD2 ASP A 95 4.212 -13.557 -6.708 1.00 0.00 O ATOM 0 H ASP A 95 2.423 -10.852 -3.214 1.00 0.00 H new ATOM 0 HA ASP A 95 1.231 -12.050 -5.639 1.00 0.00 H new ATOM 0 HB2 ASP A 95 3.650 -12.597 -3.946 1.00 0.00 H new ATOM 0 HB3 ASP A 95 2.847 -13.974 -4.675 1.00 0.00 H new ATOM 1377 N VAL A 96 -0.580 -13.002 -4.190 1.00 0.00 N ATOM 1378 CA VAL A 96 -1.601 -13.761 -3.478 1.00 0.00 C ATOM 1379 C VAL A 96 -1.756 -15.159 -4.066 1.00 0.00 C ATOM 1380 O VAL A 96 -2.043 -15.317 -5.254 1.00 0.00 O ATOM 1381 CB VAL A 96 -2.963 -13.044 -3.519 1.00 0.00 C ATOM 1382 CG1 VAL A 96 -4.030 -13.886 -2.836 1.00 0.00 C ATOM 1383 CG2 VAL A 96 -2.862 -11.671 -2.874 1.00 0.00 C ATOM 0 H VAL A 96 -0.929 -12.470 -4.987 1.00 0.00 H new ATOM 0 HA VAL A 96 -1.272 -13.841 -2.442 1.00 0.00 H new ATOM 0 HB VAL A 96 -3.252 -12.910 -4.561 1.00 0.00 H new ATOM 0 HG11 VAL A 96 -4.986 -13.363 -2.875 1.00 0.00 H new ATOM 0 HG12 VAL A 96 -4.120 -14.845 -3.347 1.00 0.00 H new ATOM 0 HG13 VAL A 96 -3.750 -14.054 -1.796 1.00 0.00 H new ATOM 0 HG21 VAL A 96 -3.834 -11.179 -2.912 1.00 0.00 H new ATOM 0 HG22 VAL A 96 -2.550 -11.779 -1.835 1.00 0.00 H new ATOM 0 HG23 VAL A 96 -2.129 -11.069 -3.412 1.00 0.00 H new ATOM 1393 N THR A 97 -1.566 -16.172 -3.228 1.00 0.00 N ATOM 1394 CA THR A 97 -1.684 -17.558 -3.664 1.00 0.00 C ATOM 1395 C THR A 97 -2.799 -18.277 -2.914 1.00 0.00 C ATOM 1396 O THR A 97 -2.837 -18.268 -1.684 1.00 0.00 O ATOM 1397 CB THR A 97 -0.364 -18.326 -3.459 1.00 0.00 C ATOM 1398 OG1 THR A 97 0.025 -18.272 -2.082 1.00 0.00 O ATOM 1399 CG2 THR A 97 0.741 -17.744 -4.327 1.00 0.00 C ATOM 0 H THR A 97 -1.329 -16.059 -2.242 1.00 0.00 H new ATOM 0 HA THR A 97 -1.921 -17.536 -4.728 1.00 0.00 H new ATOM 0 HB THR A 97 -0.524 -19.364 -3.750 1.00 0.00 H new ATOM 0 HG1 THR A 97 1.002 -18.310 -2.016 1.00 0.00 H new ATOM 0 HG21 THR A 97 1.663 -18.302 -4.165 1.00 0.00 H new ATOM 0 HG22 THR A 97 0.454 -17.813 -5.376 1.00 0.00 H new ATOM 0 HG23 THR A 97 0.899 -16.698 -4.062 1.00 0.00 H new ATOM 1407 N GLU A 98 -3.704 -18.900 -3.662 1.00 0.00 N ATOM 1408 CA GLU A 98 -4.820 -19.624 -3.066 1.00 0.00 C ATOM 1409 C GLU A 98 -4.336 -20.550 -1.954 1.00 0.00 C ATOM 1410 O GLU A 98 -5.013 -20.730 -0.942 1.00 0.00 O ATOM 1411 CB GLU A 98 -5.560 -20.434 -4.133 1.00 0.00 C ATOM 1412 CG GLU A 98 -6.359 -19.578 -5.102 1.00 0.00 C ATOM 1413 CD GLU A 98 -7.081 -20.402 -6.150 1.00 0.00 C ATOM 1414 OE1 GLU A 98 -7.878 -21.283 -5.765 1.00 0.00 O ATOM 1415 OE2 GLU A 98 -6.849 -20.167 -7.354 1.00 0.00 O ATOM 0 H GLU A 98 -3.686 -18.918 -4.682 1.00 0.00 H new ATOM 0 HA GLU A 98 -5.505 -18.893 -2.635 1.00 0.00 H new ATOM 0 HB2 GLU A 98 -4.837 -21.025 -4.695 1.00 0.00 H new ATOM 0 HB3 GLU A 98 -6.233 -21.137 -3.642 1.00 0.00 H new ATOM 0 HG2 GLU A 98 -7.087 -18.988 -4.545 1.00 0.00 H new ATOM 0 HG3 GLU A 98 -5.689 -18.874 -5.596 1.00 0.00 H new ATOM 1422 N SER A 99 -3.159 -21.136 -2.150 1.00 0.00 N ATOM 1423 CA SER A 99 -2.585 -22.047 -1.167 1.00 0.00 C ATOM 1424 C SER A 99 -1.201 -21.574 -0.731 1.00 0.00 C ATOM 1425 O SER A 99 -0.218 -22.304 -0.849 1.00 0.00 O ATOM 1426 CB SER A 99 -2.495 -23.462 -1.743 1.00 0.00 C ATOM 1427 OG SER A 99 -1.990 -24.372 -0.782 1.00 0.00 O ATOM 0 H SER A 99 -2.584 -20.996 -2.981 1.00 0.00 H new ATOM 0 HA SER A 99 -3.238 -22.059 -0.294 1.00 0.00 H new ATOM 0 HB2 SER A 99 -3.482 -23.787 -2.073 1.00 0.00 H new ATOM 0 HB3 SER A 99 -1.849 -23.460 -2.621 1.00 0.00 H new ATOM 0 HG SER A 99 -1.123 -24.054 -0.454 1.00 0.00 H new ATOM 1433 N GLY A 100 -1.135 -20.346 -0.225 1.00 0.00 N ATOM 1434 CA GLY A 100 0.132 -19.796 0.222 1.00 0.00 C ATOM 1435 C GLY A 100 0.609 -20.418 1.519 1.00 0.00 C ATOM 1436 O GLY A 100 0.151 -21.494 1.904 1.00 0.00 O ATOM 0 H GLY A 100 -1.935 -19.723 -0.117 1.00 0.00 H new ATOM 0 HA2 GLY A 100 0.885 -19.952 -0.551 1.00 0.00 H new ATOM 0 HA3 GLY A 100 0.030 -18.719 0.355 1.00 0.00 H new