USER MOD reduce.3.24.130724 H: found=0, std=0, add=516, rem=0, adj=15 USER MOD reduce.3.24.130724 removed 519 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 46 SER OG : rot 180:sc= 0.102 USER MOD Set 1.2: A 47 ASN : amide:sc= -1.66 K(o=-1.6,f=-2.3!) USER MOD Set 2.1: A 35 ASN : amide:sc= 0.0255 K(o=0.013,f=-1.1) USER MOD Set 2.2: A 42 GLN : amide:sc= -0.0121 X(o=0.013,f=-0.05) USER MOD Single : A 12 SER OG : rot 180:sc= 0 USER MOD Single : A 16 HIS : no HD1:sc= -4.21! C(o=-4.2!,f=-3.8!) USER MOD Single : A 22 GLN : amide:sc= 0 K(o=0,f=-1.1) USER MOD Single : A 33 SER OG : rot 180:sc= 0 USER MOD Single : A 49 THR OG1 : rot 180:sc= -0.336 USER MOD Single : A 52 THR OG1 : rot -67:sc= 0.581 USER MOD Single : A 59 GLN : amide:sc= 0 X(o=0,f=-0.32) USER MOD Single : A 61 SER OG : rot 180:sc= -0.134 USER MOD Single : A 66 SER OG : rot 180:sc= 0 USER MOD Single : A 69 TYR OH : rot -38:sc= 1.19 USER MOD Single : A 73 THR OG1 : rot 180:sc= 0 USER MOD Single : A 74 SER OG : rot 180:sc= 0 USER MOD Single : A 81 THR OG1 : rot 180:sc=-0.00981 USER MOD Single : A 82 THR OG1 : rot 118:sc= 1.41 USER MOD Single : A 83 TYR OH : rot 180:sc= 0 USER MOD Single : A 85 SER OG : rot 180:sc= 0 USER MOD Single : A 87 ASN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 89 SER OG : rot 180:sc= 0 USER MOD ----------------------------------------------------------------- ATOM 97 N VAL A 10 12.337 4.505 1.920 1.00 0.00 N ATOM 98 CA VAL A 10 11.519 3.315 1.719 1.00 0.00 C ATOM 99 C VAL A 10 11.369 2.525 3.014 1.00 0.00 C ATOM 100 O VAL A 10 12.258 1.764 3.393 1.00 0.00 O ATOM 101 CB VAL A 10 12.118 2.398 0.637 1.00 0.00 C ATOM 102 CG1 VAL A 10 11.264 1.152 0.459 1.00 0.00 C ATOM 103 CG2 VAL A 10 12.261 3.148 -0.678 1.00 0.00 C ATOM 0 HA VAL A 10 10.538 3.658 1.391 1.00 0.00 H new ATOM 0 HB VAL A 10 13.111 2.085 0.960 1.00 0.00 H new ATOM 0 HG11 VAL A 10 11.703 0.516 -0.310 1.00 0.00 H new ATOM 0 HG12 VAL A 10 11.219 0.604 1.400 1.00 0.00 H new ATOM 0 HG13 VAL A 10 10.257 1.441 0.159 1.00 0.00 H new ATOM 0 HG21 VAL A 10 12.686 2.484 -1.431 1.00 0.00 H new ATOM 0 HG22 VAL A 10 11.281 3.492 -1.009 1.00 0.00 H new ATOM 0 HG23 VAL A 10 12.919 4.006 -0.538 1.00 0.00 H new ATOM 113 N GLU A 11 10.239 2.712 3.688 1.00 0.00 N ATOM 114 CA GLU A 11 9.973 2.016 4.942 1.00 0.00 C ATOM 115 C GLU A 11 9.881 0.510 4.718 1.00 0.00 C ATOM 116 O GLU A 11 8.993 0.029 4.014 1.00 0.00 O ATOM 117 CB GLU A 11 8.677 2.530 5.571 1.00 0.00 C ATOM 118 CG GLU A 11 8.660 2.440 7.088 1.00 0.00 C ATOM 119 CD GLU A 11 7.681 3.411 7.719 1.00 0.00 C ATOM 120 OE1 GLU A 11 7.538 4.535 7.193 1.00 0.00 O ATOM 121 OE2 GLU A 11 7.059 3.049 8.739 1.00 0.00 O ATOM 0 H GLU A 11 9.493 3.339 3.387 1.00 0.00 H new ATOM 0 HA GLU A 11 10.801 2.215 5.622 1.00 0.00 H new ATOM 0 HB2 GLU A 11 8.526 3.568 5.275 1.00 0.00 H new ATOM 0 HB3 GLU A 11 7.838 1.960 5.172 1.00 0.00 H new ATOM 0 HG2 GLU A 11 8.401 1.424 7.385 1.00 0.00 H new ATOM 0 HG3 GLU A 11 9.661 2.638 7.471 1.00 0.00 H new ATOM 128 N SER A 12 10.804 -0.230 5.324 1.00 0.00 N ATOM 129 CA SER A 12 10.831 -1.682 5.188 1.00 0.00 C ATOM 130 C SER A 12 9.907 -2.339 6.210 1.00 0.00 C ATOM 131 O SER A 12 9.764 -1.859 7.334 1.00 0.00 O ATOM 132 CB SER A 12 12.257 -2.206 5.362 1.00 0.00 C ATOM 133 OG SER A 12 12.256 -3.548 5.815 1.00 0.00 O ATOM 0 H SER A 12 11.543 0.152 5.914 1.00 0.00 H new ATOM 0 HA SER A 12 10.479 -1.936 4.188 1.00 0.00 H new ATOM 0 HB2 SER A 12 12.790 -2.140 4.414 1.00 0.00 H new ATOM 0 HB3 SER A 12 12.794 -1.579 6.074 1.00 0.00 H new ATOM 0 HG SER A 12 13.180 -3.860 5.917 1.00 0.00 H new ATOM 139 N PHE A 13 9.283 -3.442 5.810 1.00 0.00 N ATOM 140 CA PHE A 13 8.372 -4.167 6.689 1.00 0.00 C ATOM 141 C PHE A 13 8.557 -5.674 6.540 1.00 0.00 C ATOM 142 O PHE A 13 9.167 -6.145 5.579 1.00 0.00 O ATOM 143 CB PHE A 13 6.923 -3.786 6.381 1.00 0.00 C ATOM 144 CG PHE A 13 6.489 -2.503 7.031 1.00 0.00 C ATOM 145 CD1 PHE A 13 6.768 -1.282 6.438 1.00 0.00 C ATOM 146 CD2 PHE A 13 5.802 -2.518 8.234 1.00 0.00 C ATOM 147 CE1 PHE A 13 6.371 -0.100 7.034 1.00 0.00 C ATOM 148 CE2 PHE A 13 5.402 -1.339 8.834 1.00 0.00 C ATOM 149 CZ PHE A 13 5.686 -0.129 8.233 1.00 0.00 C ATOM 0 H PHE A 13 9.391 -3.854 4.883 1.00 0.00 H new ATOM 0 HA PHE A 13 8.602 -3.891 7.718 1.00 0.00 H new ATOM 0 HB2 PHE A 13 6.801 -3.696 5.302 1.00 0.00 H new ATOM 0 HB3 PHE A 13 6.266 -4.591 6.710 1.00 0.00 H new ATOM 0 HD1 PHE A 13 7.302 -1.254 5.500 1.00 0.00 H new ATOM 0 HD2 PHE A 13 5.576 -3.462 8.708 1.00 0.00 H new ATOM 0 HE1 PHE A 13 6.596 0.845 6.563 1.00 0.00 H new ATOM 0 HE2 PHE A 13 4.868 -1.364 9.772 1.00 0.00 H new ATOM 0 HZ PHE A 13 5.373 0.793 8.700 1.00 0.00 H new ATOM 159 N LEU A 14 8.026 -6.426 7.498 1.00 0.00 N ATOM 160 CA LEU A 14 8.132 -7.881 7.475 1.00 0.00 C ATOM 161 C LEU A 14 6.969 -8.523 8.223 1.00 0.00 C ATOM 162 O LEU A 14 6.717 -8.212 9.388 1.00 0.00 O ATOM 163 CB LEU A 14 9.459 -8.325 8.094 1.00 0.00 C ATOM 164 CG LEU A 14 9.837 -9.792 7.889 1.00 0.00 C ATOM 165 CD1 LEU A 14 8.769 -10.706 8.470 1.00 0.00 C ATOM 166 CD2 LEU A 14 10.047 -10.087 6.411 1.00 0.00 C ATOM 0 H LEU A 14 7.518 -6.053 8.300 1.00 0.00 H new ATOM 0 HA LEU A 14 8.096 -8.207 6.436 1.00 0.00 H new ATOM 0 HB2 LEU A 14 10.255 -7.704 7.682 1.00 0.00 H new ATOM 0 HB3 LEU A 14 9.422 -8.126 9.165 1.00 0.00 H new ATOM 0 HG LEU A 14 10.773 -9.982 8.414 1.00 0.00 H new ATOM 0 HD11 LEU A 14 9.056 -11.746 8.314 1.00 0.00 H new ATOM 0 HD12 LEU A 14 8.667 -10.514 9.538 1.00 0.00 H new ATOM 0 HD13 LEU A 14 7.817 -10.514 7.975 1.00 0.00 H new ATOM 0 HD21 LEU A 14 10.315 -11.136 6.284 1.00 0.00 H new ATOM 0 HD22 LEU A 14 9.127 -9.879 5.864 1.00 0.00 H new ATOM 0 HD23 LEU A 14 10.849 -9.458 6.025 1.00 0.00 H new ATOM 178 N VAL A 15 6.262 -9.424 7.547 1.00 0.00 N ATOM 179 CA VAL A 15 5.127 -10.113 8.149 1.00 0.00 C ATOM 180 C VAL A 15 4.988 -11.528 7.598 1.00 0.00 C ATOM 181 O VAL A 15 5.828 -11.989 6.824 1.00 0.00 O ATOM 182 CB VAL A 15 3.812 -9.348 7.904 1.00 0.00 C ATOM 183 CG1 VAL A 15 3.875 -7.964 8.532 1.00 0.00 C ATOM 184 CG2 VAL A 15 3.520 -9.254 6.414 1.00 0.00 C ATOM 0 H VAL A 15 6.456 -9.693 6.582 1.00 0.00 H new ATOM 0 HA VAL A 15 5.318 -10.160 9.221 1.00 0.00 H new ATOM 0 HB VAL A 15 2.998 -9.898 8.376 1.00 0.00 H new ATOM 0 HG11 VAL A 15 2.938 -7.438 8.349 1.00 0.00 H new ATOM 0 HG12 VAL A 15 4.034 -8.059 9.606 1.00 0.00 H new ATOM 0 HG13 VAL A 15 4.698 -7.402 8.092 1.00 0.00 H new ATOM 0 HG21 VAL A 15 2.588 -8.711 6.259 1.00 0.00 H new ATOM 0 HG22 VAL A 15 4.334 -8.727 5.916 1.00 0.00 H new ATOM 0 HG23 VAL A 15 3.429 -10.257 5.997 1.00 0.00 H new ATOM 194 N HIS A 16 3.923 -12.213 8.003 1.00 0.00 N ATOM 195 CA HIS A 16 3.674 -13.577 7.549 1.00 0.00 C ATOM 196 C HIS A 16 2.225 -13.744 7.100 1.00 0.00 C ATOM 197 O HIS A 16 1.382 -12.870 7.304 1.00 0.00 O ATOM 198 CB HIS A 16 3.993 -14.574 8.664 1.00 0.00 C ATOM 199 CG HIS A 16 2.782 -15.253 9.224 1.00 0.00 C ATOM 200 ND1 HIS A 16 2.677 -16.622 9.349 1.00 0.00 N ATOM 201 CD2 HIS A 16 1.620 -14.743 9.697 1.00 0.00 C ATOM 202 CE1 HIS A 16 1.502 -16.925 9.872 1.00 0.00 C ATOM 203 NE2 HIS A 16 0.842 -15.803 10.093 1.00 0.00 N ATOM 0 H HIS A 16 3.219 -11.846 8.644 1.00 0.00 H new ATOM 0 HA HIS A 16 4.325 -13.775 6.697 1.00 0.00 H new ATOM 0 HB2 HIS A 16 4.678 -15.330 8.280 1.00 0.00 H new ATOM 0 HB3 HIS A 16 4.512 -14.053 9.469 1.00 0.00 H new ATOM 0 HD2 HIS A 16 1.355 -13.698 9.752 1.00 0.00 H new ATOM 0 HE1 HIS A 16 1.142 -17.921 10.083 1.00 0.00 H new ATOM 0 HE2 HIS A 16 -0.094 -15.735 10.493 1.00 0.00 H new ATOM 212 N PRO A 17 1.928 -14.892 6.474 1.00 0.00 N ATOM 213 CA PRO A 17 0.581 -15.200 5.983 1.00 0.00 C ATOM 214 C PRO A 17 -0.406 -15.449 7.118 1.00 0.00 C ATOM 215 O PRO A 17 -0.551 -16.575 7.592 1.00 0.00 O ATOM 216 CB PRO A 17 0.786 -16.476 5.163 1.00 0.00 C ATOM 217 CG PRO A 17 2.002 -17.110 5.746 1.00 0.00 C ATOM 218 CD PRO A 17 2.883 -15.978 6.198 1.00 0.00 C ATOM 0 HA PRO A 17 0.156 -14.374 5.413 1.00 0.00 H new ATOM 0 HB2 PRO A 17 -0.078 -17.136 5.236 1.00 0.00 H new ATOM 0 HB3 PRO A 17 0.926 -16.249 4.106 1.00 0.00 H new ATOM 0 HG2 PRO A 17 1.741 -17.759 6.582 1.00 0.00 H new ATOM 0 HG3 PRO A 17 2.511 -17.730 5.008 1.00 0.00 H new ATOM 0 HD2 PRO A 17 3.456 -16.245 7.086 1.00 0.00 H new ATOM 0 HD3 PRO A 17 3.601 -15.696 5.428 1.00 0.00 H new ATOM 226 N GLY A 18 -1.085 -14.390 7.549 1.00 0.00 N ATOM 227 CA GLY A 18 -2.051 -14.515 8.625 1.00 0.00 C ATOM 228 C GLY A 18 -1.987 -13.355 9.599 1.00 0.00 C ATOM 229 O GLY A 18 -2.877 -13.187 10.433 1.00 0.00 O ATOM 0 H GLY A 18 -0.983 -13.448 7.172 1.00 0.00 H new ATOM 0 HA2 GLY A 18 -3.054 -14.576 8.203 1.00 0.00 H new ATOM 0 HA3 GLY A 18 -1.874 -15.447 9.162 1.00 0.00 H new ATOM 233 N ASP A 19 -0.933 -12.554 9.494 1.00 0.00 N ATOM 234 CA ASP A 19 -0.757 -11.404 10.374 1.00 0.00 C ATOM 235 C ASP A 19 -1.560 -10.208 9.872 1.00 0.00 C ATOM 236 O ASP A 19 -2.322 -10.317 8.910 1.00 0.00 O ATOM 237 CB ASP A 19 0.724 -11.033 10.473 1.00 0.00 C ATOM 238 CG ASP A 19 1.446 -11.818 11.551 1.00 0.00 C ATOM 239 OD1 ASP A 19 0.865 -12.800 12.060 1.00 0.00 O ATOM 240 OD2 ASP A 19 2.591 -11.450 11.886 1.00 0.00 O ATOM 0 H ASP A 19 -0.188 -12.679 8.809 1.00 0.00 H new ATOM 0 HA ASP A 19 -1.123 -11.676 11.364 1.00 0.00 H new ATOM 0 HB2 ASP A 19 1.206 -11.213 9.512 1.00 0.00 H new ATOM 0 HB3 ASP A 19 0.816 -9.967 10.681 1.00 0.00 H new ATOM 245 N LEU A 20 -1.387 -9.067 10.530 1.00 0.00 N ATOM 246 CA LEU A 20 -2.096 -7.850 10.152 1.00 0.00 C ATOM 247 C LEU A 20 -1.137 -6.820 9.564 1.00 0.00 C ATOM 248 O LEU A 20 -0.354 -6.202 10.287 1.00 0.00 O ATOM 249 CB LEU A 20 -2.817 -7.258 11.364 1.00 0.00 C ATOM 250 CG LEU A 20 -3.724 -6.059 11.087 1.00 0.00 C ATOM 251 CD1 LEU A 20 -4.912 -6.474 10.233 1.00 0.00 C ATOM 252 CD2 LEU A 20 -4.196 -5.434 12.392 1.00 0.00 C ATOM 0 H LEU A 20 -0.761 -8.959 11.328 1.00 0.00 H new ATOM 0 HA LEU A 20 -2.831 -8.110 9.391 1.00 0.00 H new ATOM 0 HB2 LEU A 20 -3.417 -8.043 11.824 1.00 0.00 H new ATOM 0 HB3 LEU A 20 -2.068 -6.959 12.097 1.00 0.00 H new ATOM 0 HG LEU A 20 -3.150 -5.313 10.537 1.00 0.00 H new ATOM 0 HD11 LEU A 20 -5.546 -5.607 10.046 1.00 0.00 H new ATOM 0 HD12 LEU A 20 -4.556 -6.874 9.284 1.00 0.00 H new ATOM 0 HD13 LEU A 20 -5.487 -7.238 10.756 1.00 0.00 H new ATOM 0 HD21 LEU A 20 -4.840 -4.582 12.175 1.00 0.00 H new ATOM 0 HD22 LEU A 20 -4.753 -6.173 12.969 1.00 0.00 H new ATOM 0 HD23 LEU A 20 -3.333 -5.099 12.968 1.00 0.00 H new ATOM 264 N LEU A 21 -1.203 -6.639 8.250 1.00 0.00 N ATOM 265 CA LEU A 21 -0.342 -5.682 7.565 1.00 0.00 C ATOM 266 C LEU A 21 -0.866 -4.260 7.733 1.00 0.00 C ATOM 267 O LEU A 21 -1.832 -3.864 7.082 1.00 0.00 O ATOM 268 CB LEU A 21 -0.242 -6.029 6.078 1.00 0.00 C ATOM 269 CG LEU A 21 0.642 -5.112 5.233 1.00 0.00 C ATOM 270 CD1 LEU A 21 2.079 -5.150 5.729 1.00 0.00 C ATOM 271 CD2 LEU A 21 0.573 -5.508 3.765 1.00 0.00 C ATOM 0 H LEU A 21 -1.844 -7.143 7.637 1.00 0.00 H new ATOM 0 HA LEU A 21 0.650 -5.739 8.013 1.00 0.00 H new ATOM 0 HB2 LEU A 21 0.135 -7.048 5.988 1.00 0.00 H new ATOM 0 HB3 LEU A 21 -1.247 -6.022 5.655 1.00 0.00 H new ATOM 0 HG LEU A 21 0.272 -4.092 5.332 1.00 0.00 H new ATOM 0 HD11 LEU A 21 2.693 -4.491 5.115 1.00 0.00 H new ATOM 0 HD12 LEU A 21 2.115 -4.817 6.766 1.00 0.00 H new ATOM 0 HD13 LEU A 21 2.460 -6.169 5.661 1.00 0.00 H new ATOM 0 HD21 LEU A 21 1.209 -4.844 3.179 1.00 0.00 H new ATOM 0 HD22 LEU A 21 0.917 -6.536 3.649 1.00 0.00 H new ATOM 0 HD23 LEU A 21 -0.456 -5.428 3.415 1.00 0.00 H new ATOM 283 N GLN A 22 -0.220 -3.496 8.608 1.00 0.00 N ATOM 284 CA GLN A 22 -0.622 -2.117 8.860 1.00 0.00 C ATOM 285 C GLN A 22 0.425 -1.141 8.333 1.00 0.00 C ATOM 286 O GLN A 22 1.619 -1.295 8.592 1.00 0.00 O ATOM 287 CB GLN A 22 -0.838 -1.892 10.358 1.00 0.00 C ATOM 288 CG GLN A 22 -2.258 -2.178 10.818 1.00 0.00 C ATOM 289 CD GLN A 22 -2.529 -1.677 12.222 1.00 0.00 C ATOM 290 OE1 GLN A 22 -1.634 -1.163 12.894 1.00 0.00 O ATOM 291 NE2 GLN A 22 -3.769 -1.823 12.674 1.00 0.00 N ATOM 0 H GLN A 22 0.583 -3.808 9.154 1.00 0.00 H new ATOM 0 HA GLN A 22 -1.559 -1.936 8.334 1.00 0.00 H new ATOM 0 HB2 GLN A 22 -0.150 -2.527 10.915 1.00 0.00 H new ATOM 0 HB3 GLN A 22 -0.587 -0.860 10.602 1.00 0.00 H new ATOM 0 HG2 GLN A 22 -2.960 -1.711 10.128 1.00 0.00 H new ATOM 0 HG3 GLN A 22 -2.439 -3.252 10.778 1.00 0.00 H new ATOM 0 HE21 GLN A 22 -4.480 -2.255 12.083 1.00 0.00 H new ATOM 0 HE22 GLN A 22 -4.011 -1.504 13.612 1.00 0.00 H new ATOM 300 N LEU A 23 -0.031 -0.136 7.593 1.00 0.00 N ATOM 301 CA LEU A 23 0.866 0.866 7.028 1.00 0.00 C ATOM 302 C LEU A 23 0.419 2.274 7.408 1.00 0.00 C ATOM 303 O LEU A 23 -0.691 2.470 7.905 1.00 0.00 O ATOM 304 CB LEU A 23 0.921 0.730 5.505 1.00 0.00 C ATOM 305 CG LEU A 23 1.482 -0.588 4.969 1.00 0.00 C ATOM 306 CD1 LEU A 23 1.374 -0.636 3.453 1.00 0.00 C ATOM 307 CD2 LEU A 23 2.928 -0.770 5.408 1.00 0.00 C ATOM 0 H LEU A 23 -1.016 0.006 7.370 1.00 0.00 H new ATOM 0 HA LEU A 23 1.862 0.698 7.438 1.00 0.00 H new ATOM 0 HB2 LEU A 23 -0.087 0.859 5.112 1.00 0.00 H new ATOM 0 HB3 LEU A 23 1.525 1.547 5.109 1.00 0.00 H new ATOM 0 HG LEU A 23 0.892 -1.407 5.381 1.00 0.00 H new ATOM 0 HD11 LEU A 23 1.778 -1.581 3.089 1.00 0.00 H new ATOM 0 HD12 LEU A 23 0.328 -0.552 3.160 1.00 0.00 H new ATOM 0 HD13 LEU A 23 1.939 0.190 3.022 1.00 0.00 H new ATOM 0 HD21 LEU A 23 3.311 -1.713 5.018 1.00 0.00 H new ATOM 0 HD22 LEU A 23 3.531 0.053 5.025 1.00 0.00 H new ATOM 0 HD23 LEU A 23 2.979 -0.781 6.497 1.00 0.00 H new ATOM 319 N ARG A 24 1.288 3.250 7.170 1.00 0.00 N ATOM 320 CA ARG A 24 0.981 4.640 7.486 1.00 0.00 C ATOM 321 C ARG A 24 1.661 5.585 6.500 1.00 0.00 C ATOM 322 O ARG A 24 2.808 5.371 6.108 1.00 0.00 O ATOM 323 CB ARG A 24 1.425 4.970 8.913 1.00 0.00 C ATOM 324 CG ARG A 24 0.735 6.191 9.498 1.00 0.00 C ATOM 325 CD ARG A 24 1.150 6.427 10.942 1.00 0.00 C ATOM 326 NE ARG A 24 2.513 6.942 11.042 1.00 0.00 N ATOM 327 CZ ARG A 24 3.591 6.166 11.067 1.00 0.00 C ATOM 328 NH1 ARG A 24 3.465 4.848 10.998 1.00 0.00 N ATOM 329 NH2 ARG A 24 4.799 6.708 11.159 1.00 0.00 N ATOM 0 H ARG A 24 2.210 3.104 6.759 1.00 0.00 H new ATOM 0 HA ARG A 24 -0.098 4.775 7.407 1.00 0.00 H new ATOM 0 HB2 ARG A 24 1.229 4.110 9.554 1.00 0.00 H new ATOM 0 HB3 ARG A 24 2.503 5.134 8.921 1.00 0.00 H new ATOM 0 HG2 ARG A 24 0.979 7.069 8.900 1.00 0.00 H new ATOM 0 HG3 ARG A 24 -0.346 6.059 9.446 1.00 0.00 H new ATOM 0 HD2 ARG A 24 0.461 7.132 11.407 1.00 0.00 H new ATOM 0 HD3 ARG A 24 1.074 5.493 11.499 1.00 0.00 H new ATOM 0 HE ARG A 24 2.644 7.952 11.096 1.00 0.00 H new ATOM 0 HH11 ARG A 24 2.539 4.427 10.925 1.00 0.00 H new ATOM 0 HH12 ARG A 24 4.294 4.255 11.017 1.00 0.00 H new ATOM 0 HH21 ARG A 24 4.901 7.722 11.211 1.00 0.00 H new ATOM 0 HH22 ARG A 24 5.626 6.111 11.178 1.00 0.00 H new ATOM 343 N CYS A 25 0.945 6.631 6.101 1.00 0.00 N ATOM 344 CA CYS A 25 1.476 7.608 5.160 1.00 0.00 C ATOM 345 C CYS A 25 1.761 8.936 5.857 1.00 0.00 C ATOM 346 O CYS A 25 0.905 9.478 6.556 1.00 0.00 O ATOM 347 CB CYS A 25 0.493 7.825 4.008 1.00 0.00 C ATOM 348 SG CYS A 25 1.048 9.050 2.778 1.00 0.00 S ATOM 0 H CYS A 25 -0.006 6.823 6.416 1.00 0.00 H new ATOM 0 HA CYS A 25 2.413 7.219 4.761 1.00 0.00 H new ATOM 0 HB2 CYS A 25 0.323 6.873 3.506 1.00 0.00 H new ATOM 0 HB3 CYS A 25 -0.465 8.145 4.417 1.00 0.00 H new ATOM 353 N ARG A 26 2.970 9.453 5.660 1.00 0.00 N ATOM 354 CA ARG A 26 3.368 10.716 6.270 1.00 0.00 C ATOM 355 C ARG A 26 2.595 11.882 5.660 1.00 0.00 C ATOM 356 O ARG A 26 2.747 12.191 4.478 1.00 0.00 O ATOM 357 CB ARG A 26 4.871 10.940 6.095 1.00 0.00 C ATOM 358 CG ARG A 26 5.714 10.294 7.183 1.00 0.00 C ATOM 359 CD ARG A 26 7.200 10.491 6.927 1.00 0.00 C ATOM 360 NE ARG A 26 7.685 11.758 7.467 1.00 0.00 N ATOM 361 CZ ARG A 26 8.913 12.222 7.265 1.00 0.00 C ATOM 362 NH1 ARG A 26 9.776 11.526 6.538 1.00 0.00 N ATOM 363 NH2 ARG A 26 9.280 13.384 7.789 1.00 0.00 N ATOM 0 H ARG A 26 3.690 9.017 5.083 1.00 0.00 H new ATOM 0 HA ARG A 26 3.136 10.666 7.334 1.00 0.00 H new ATOM 0 HB2 ARG A 26 5.178 10.545 5.127 1.00 0.00 H new ATOM 0 HB3 ARG A 26 5.071 12.011 6.080 1.00 0.00 H new ATOM 0 HG2 ARG A 26 5.451 10.721 8.151 1.00 0.00 H new ATOM 0 HG3 ARG A 26 5.490 9.228 7.233 1.00 0.00 H new ATOM 0 HD2 ARG A 26 7.757 9.669 7.376 1.00 0.00 H new ATOM 0 HD3 ARG A 26 7.391 10.457 5.854 1.00 0.00 H new ATOM 0 HE ARG A 26 7.045 12.318 8.031 1.00 0.00 H new ATOM 0 HH11 ARG A 26 9.497 10.632 6.133 1.00 0.00 H new ATOM 0 HH12 ARG A 26 10.719 11.884 6.384 1.00 0.00 H new ATOM 0 HH21 ARG A 26 8.619 13.923 8.348 1.00 0.00 H new ATOM 0 HH22 ARG A 26 10.224 13.739 7.633 1.00 0.00 H new ATOM 477 N SER A 33 -5.122 15.388 -0.166 1.00 0.00 N ATOM 478 CA SER A 33 -5.608 14.055 -0.503 1.00 0.00 C ATOM 479 C SER A 33 -4.481 13.030 -0.426 1.00 0.00 C ATOM 480 O SER A 33 -3.329 13.377 -0.164 1.00 0.00 O ATOM 481 CB SER A 33 -6.221 14.052 -1.905 1.00 0.00 C ATOM 482 OG SER A 33 -7.601 14.372 -1.859 1.00 0.00 O ATOM 0 HA SER A 33 -6.375 13.781 0.222 1.00 0.00 H new ATOM 0 HB2 SER A 33 -5.698 14.772 -2.535 1.00 0.00 H new ATOM 0 HB3 SER A 33 -6.087 13.072 -2.362 1.00 0.00 H new ATOM 0 HG SER A 33 -7.969 14.365 -2.767 1.00 0.00 H new ATOM 488 N ILE A 34 -4.822 11.767 -0.655 1.00 0.00 N ATOM 489 CA ILE A 34 -3.839 10.691 -0.613 1.00 0.00 C ATOM 490 C ILE A 34 -4.090 9.673 -1.721 1.00 0.00 C ATOM 491 O ILE A 34 -5.236 9.372 -2.053 1.00 0.00 O ATOM 492 CB ILE A 34 -3.855 9.967 0.746 1.00 0.00 C ATOM 493 CG1 ILE A 34 -4.036 10.975 1.883 1.00 0.00 C ATOM 494 CG2 ILE A 34 -2.573 9.170 0.937 1.00 0.00 C ATOM 495 CD1 ILE A 34 -4.428 10.339 3.198 1.00 0.00 C ATOM 0 H ILE A 34 -5.771 11.463 -0.872 1.00 0.00 H new ATOM 0 HA ILE A 34 -2.862 11.151 -0.760 1.00 0.00 H new ATOM 0 HB ILE A 34 -4.696 9.274 0.762 1.00 0.00 H new ATOM 0 HG12 ILE A 34 -3.106 11.528 2.019 1.00 0.00 H new ATOM 0 HG13 ILE A 34 -4.799 11.699 1.597 1.00 0.00 H new ATOM 0 HG21 ILE A 34 -2.599 8.664 1.902 1.00 0.00 H new ATOM 0 HG22 ILE A 34 -2.483 8.430 0.142 1.00 0.00 H new ATOM 0 HG23 ILE A 34 -1.717 9.844 0.904 1.00 0.00 H new ATOM 0 HD11 ILE A 34 -4.539 11.113 3.958 1.00 0.00 H new ATOM 0 HD12 ILE A 34 -5.373 9.810 3.079 1.00 0.00 H new ATOM 0 HD13 ILE A 34 -3.655 9.636 3.507 1.00 0.00 H new ATOM 507 N ASN A 35 -3.010 9.147 -2.289 1.00 0.00 N ATOM 508 CA ASN A 35 -3.113 8.161 -3.359 1.00 0.00 C ATOM 509 C ASN A 35 -2.244 6.942 -3.061 1.00 0.00 C ATOM 510 O ASN A 35 -1.021 6.992 -3.193 1.00 0.00 O ATOM 511 CB ASN A 35 -2.699 8.783 -4.694 1.00 0.00 C ATOM 512 CG ASN A 35 -3.394 8.133 -5.875 1.00 0.00 C ATOM 513 OD1 ASN A 35 -4.602 7.895 -5.844 1.00 0.00 O ATOM 514 ND2 ASN A 35 -2.633 7.843 -6.923 1.00 0.00 N ATOM 0 H ASN A 35 -2.054 9.387 -2.027 1.00 0.00 H new ATOM 0 HA ASN A 35 -4.152 7.837 -3.423 1.00 0.00 H new ATOM 0 HB2 ASN A 35 -2.929 9.848 -4.682 1.00 0.00 H new ATOM 0 HB3 ASN A 35 -1.620 8.691 -4.815 1.00 0.00 H new ATOM 0 HD21 ASN A 35 -3.045 7.405 -7.747 1.00 0.00 H new ATOM 0 HD22 ASN A 35 -1.636 8.058 -6.905 1.00 0.00 H new ATOM 521 N TRP A 36 -2.885 5.850 -2.661 1.00 0.00 N ATOM 522 CA TRP A 36 -2.171 4.618 -2.345 1.00 0.00 C ATOM 523 C TRP A 36 -1.818 3.853 -3.616 1.00 0.00 C ATOM 524 O TRP A 36 -2.610 3.795 -4.558 1.00 0.00 O ATOM 525 CB TRP A 36 -3.016 3.737 -1.423 1.00 0.00 C ATOM 526 CG TRP A 36 -2.945 4.147 0.017 1.00 0.00 C ATOM 527 CD1 TRP A 36 -3.893 4.833 0.721 1.00 0.00 C ATOM 528 CD2 TRP A 36 -1.869 3.897 0.927 1.00 0.00 C ATOM 529 NE1 TRP A 36 -3.471 5.025 2.015 1.00 0.00 N ATOM 530 CE2 TRP A 36 -2.232 4.460 2.167 1.00 0.00 C ATOM 531 CE3 TRP A 36 -0.634 3.252 0.817 1.00 0.00 C ATOM 532 CZ2 TRP A 36 -1.404 4.396 3.284 1.00 0.00 C ATOM 533 CZ3 TRP A 36 0.187 3.190 1.927 1.00 0.00 C ATOM 534 CH2 TRP A 36 -0.201 3.758 3.148 1.00 0.00 C ATOM 0 H TRP A 36 -3.897 5.792 -2.548 1.00 0.00 H new ATOM 0 HA TRP A 36 -1.246 4.884 -1.834 1.00 0.00 H new ATOM 0 HB2 TRP A 36 -4.055 3.770 -1.752 1.00 0.00 H new ATOM 0 HB3 TRP A 36 -2.685 2.703 -1.516 1.00 0.00 H new ATOM 0 HD1 TRP A 36 -4.836 5.175 0.320 1.00 0.00 H new ATOM 0 HE1 TRP A 36 -3.995 5.509 2.744 1.00 0.00 H new ATOM 0 HE3 TRP A 36 -0.327 2.810 -0.119 1.00 0.00 H new ATOM 0 HZ2 TRP A 36 -1.701 4.835 4.225 1.00 0.00 H new ATOM 0 HZ3 TRP A 36 1.144 2.695 1.852 1.00 0.00 H new ATOM 0 HH2 TRP A 36 0.462 3.691 3.998 1.00 0.00 H new ATOM 545 N LEU A 37 -0.626 3.267 -3.636 1.00 0.00 N ATOM 546 CA LEU A 37 -0.168 2.505 -4.793 1.00 0.00 C ATOM 547 C LEU A 37 0.583 1.251 -4.355 1.00 0.00 C ATOM 548 O LEU A 37 0.961 1.116 -3.192 1.00 0.00 O ATOM 549 CB LEU A 37 0.733 3.370 -5.675 1.00 0.00 C ATOM 550 CG LEU A 37 0.063 4.569 -6.348 1.00 0.00 C ATOM 551 CD1 LEU A 37 1.058 5.703 -6.532 1.00 0.00 C ATOM 552 CD2 LEU A 37 -0.539 4.162 -7.685 1.00 0.00 C ATOM 0 H LEU A 37 0.041 3.305 -2.865 1.00 0.00 H new ATOM 0 HA LEU A 37 -1.044 2.201 -5.367 1.00 0.00 H new ATOM 0 HB2 LEU A 37 1.560 3.736 -5.067 1.00 0.00 H new ATOM 0 HB3 LEU A 37 1.164 2.737 -6.451 1.00 0.00 H new ATOM 0 HG LEU A 37 -0.741 4.921 -5.702 1.00 0.00 H new ATOM 0 HD11 LEU A 37 0.563 6.547 -7.012 1.00 0.00 H new ATOM 0 HD12 LEU A 37 1.441 6.012 -5.560 1.00 0.00 H new ATOM 0 HD13 LEU A 37 1.885 5.364 -7.156 1.00 0.00 H new ATOM 0 HD21 LEU A 37 -1.011 5.027 -8.150 1.00 0.00 H new ATOM 0 HD22 LEU A 37 0.247 3.784 -8.338 1.00 0.00 H new ATOM 0 HD23 LEU A 37 -1.285 3.383 -7.526 1.00 0.00 H new ATOM 564 N ARG A 38 0.796 0.337 -5.296 1.00 0.00 N ATOM 565 CA ARG A 38 1.502 -0.906 -5.008 1.00 0.00 C ATOM 566 C ARG A 38 2.164 -1.459 -6.267 1.00 0.00 C ATOM 567 O ARG A 38 1.488 -1.786 -7.243 1.00 0.00 O ATOM 568 CB ARG A 38 0.539 -1.942 -4.427 1.00 0.00 C ATOM 569 CG ARG A 38 1.230 -3.189 -3.902 1.00 0.00 C ATOM 570 CD ARG A 38 0.278 -4.054 -3.091 1.00 0.00 C ATOM 571 NE ARG A 38 -0.412 -5.037 -3.923 1.00 0.00 N ATOM 572 CZ ARG A 38 -1.501 -4.763 -4.632 1.00 0.00 C ATOM 573 NH1 ARG A 38 -2.021 -3.544 -4.611 1.00 0.00 N ATOM 574 NH2 ARG A 38 -2.072 -5.711 -5.365 1.00 0.00 N ATOM 0 H ARG A 38 0.490 0.434 -6.264 1.00 0.00 H new ATOM 0 HA ARG A 38 2.279 -0.692 -4.274 1.00 0.00 H new ATOM 0 HB2 ARG A 38 -0.029 -1.484 -3.617 1.00 0.00 H new ATOM 0 HB3 ARG A 38 -0.178 -2.231 -5.196 1.00 0.00 H new ATOM 0 HG2 ARG A 38 1.625 -3.766 -4.738 1.00 0.00 H new ATOM 0 HG3 ARG A 38 2.080 -2.902 -3.283 1.00 0.00 H new ATOM 0 HD2 ARG A 38 0.834 -4.569 -2.307 1.00 0.00 H new ATOM 0 HD3 ARG A 38 -0.456 -3.419 -2.596 1.00 0.00 H new ATOM 0 HE ARG A 38 -0.037 -5.985 -3.961 1.00 0.00 H new ATOM 0 HH11 ARG A 38 -1.585 -2.813 -4.049 1.00 0.00 H new ATOM 0 HH12 ARG A 38 -2.857 -3.337 -5.157 1.00 0.00 H new ATOM 0 HH21 ARG A 38 -1.674 -6.650 -5.384 1.00 0.00 H new ATOM 0 HH22 ARG A 38 -2.908 -5.500 -5.909 1.00 0.00 H new ATOM 588 N ASP A 39 3.488 -1.561 -6.237 1.00 0.00 N ATOM 589 CA ASP A 39 4.241 -2.076 -7.375 1.00 0.00 C ATOM 590 C ASP A 39 3.995 -1.227 -8.618 1.00 0.00 C ATOM 591 O ASP A 39 4.128 -1.704 -9.745 1.00 0.00 O ATOM 592 CB ASP A 39 3.858 -3.531 -7.652 1.00 0.00 C ATOM 593 CG ASP A 39 5.000 -4.326 -8.251 1.00 0.00 C ATOM 594 OD1 ASP A 39 5.322 -4.100 -9.437 1.00 0.00 O ATOM 595 OD2 ASP A 39 5.572 -5.175 -7.536 1.00 0.00 O ATOM 0 H ASP A 39 4.062 -1.294 -5.437 1.00 0.00 H new ATOM 0 HA ASP A 39 5.302 -2.029 -7.128 1.00 0.00 H new ATOM 0 HB2 ASP A 39 3.539 -4.003 -6.723 1.00 0.00 H new ATOM 0 HB3 ASP A 39 3.006 -3.556 -8.331 1.00 0.00 H new ATOM 600 N GLY A 40 3.634 0.035 -8.405 1.00 0.00 N ATOM 601 CA GLY A 40 3.373 0.930 -9.518 1.00 0.00 C ATOM 602 C GLY A 40 1.956 0.808 -10.040 1.00 0.00 C ATOM 603 O GLY A 40 1.733 0.775 -11.251 1.00 0.00 O ATOM 0 H GLY A 40 3.518 0.453 -7.482 1.00 0.00 H new ATOM 0 HA2 GLY A 40 3.554 1.958 -9.204 1.00 0.00 H new ATOM 0 HA3 GLY A 40 4.074 0.715 -10.325 1.00 0.00 H new ATOM 607 N VAL A 41 0.993 0.739 -9.126 1.00 0.00 N ATOM 608 CA VAL A 41 -0.410 0.619 -9.501 1.00 0.00 C ATOM 609 C VAL A 41 -1.323 1.052 -8.360 1.00 0.00 C ATOM 610 O VAL A 41 -0.972 0.920 -7.188 1.00 0.00 O ATOM 611 CB VAL A 41 -0.762 -0.825 -9.906 1.00 0.00 C ATOM 612 CG1 VAL A 41 -0.885 -1.710 -8.675 1.00 0.00 C ATOM 613 CG2 VAL A 41 -2.045 -0.852 -10.722 1.00 0.00 C ATOM 0 H VAL A 41 1.160 0.764 -8.120 1.00 0.00 H new ATOM 0 HA VAL A 41 -0.566 1.276 -10.356 1.00 0.00 H new ATOM 0 HB VAL A 41 0.044 -1.216 -10.526 1.00 0.00 H new ATOM 0 HG11 VAL A 41 -1.134 -2.726 -8.981 1.00 0.00 H new ATOM 0 HG12 VAL A 41 0.062 -1.715 -8.135 1.00 0.00 H new ATOM 0 HG13 VAL A 41 -1.671 -1.324 -8.026 1.00 0.00 H new ATOM 0 HG21 VAL A 41 -2.278 -1.880 -10.999 1.00 0.00 H new ATOM 0 HG22 VAL A 41 -2.862 -0.442 -10.129 1.00 0.00 H new ATOM 0 HG23 VAL A 41 -1.915 -0.253 -11.624 1.00 0.00 H new ATOM 623 N GLN A 42 -2.497 1.567 -8.711 1.00 0.00 N ATOM 624 CA GLN A 42 -3.461 2.020 -7.714 1.00 0.00 C ATOM 625 C GLN A 42 -3.819 0.892 -6.752 1.00 0.00 C ATOM 626 O GLN A 42 -4.215 -0.196 -7.174 1.00 0.00 O ATOM 627 CB GLN A 42 -4.725 2.544 -8.398 1.00 0.00 C ATOM 628 CG GLN A 42 -5.780 3.043 -7.424 1.00 0.00 C ATOM 629 CD GLN A 42 -5.619 4.513 -7.092 1.00 0.00 C ATOM 630 OE1 GLN A 42 -6.446 5.342 -7.472 1.00 0.00 O ATOM 631 NE2 GLN A 42 -4.549 4.845 -6.379 1.00 0.00 N ATOM 0 H GLN A 42 -2.804 1.681 -9.677 1.00 0.00 H new ATOM 0 HA GLN A 42 -3.004 2.828 -7.143 1.00 0.00 H new ATOM 0 HB2 GLN A 42 -4.453 3.355 -9.074 1.00 0.00 H new ATOM 0 HB3 GLN A 42 -5.153 1.750 -9.010 1.00 0.00 H new ATOM 0 HG2 GLN A 42 -6.770 2.877 -7.850 1.00 0.00 H new ATOM 0 HG3 GLN A 42 -5.726 2.459 -6.505 1.00 0.00 H new ATOM 0 HE21 GLN A 42 -3.889 4.125 -6.085 1.00 0.00 H new ATOM 0 HE22 GLN A 42 -4.387 5.820 -6.126 1.00 0.00 H new ATOM 640 N LEU A 43 -3.678 1.157 -5.458 1.00 0.00 N ATOM 641 CA LEU A 43 -3.987 0.164 -4.435 1.00 0.00 C ATOM 642 C LEU A 43 -5.494 0.029 -4.245 1.00 0.00 C ATOM 643 O LEU A 43 -6.240 0.992 -4.417 1.00 0.00 O ATOM 644 CB LEU A 43 -3.326 0.547 -3.110 1.00 0.00 C ATOM 645 CG LEU A 43 -3.512 -0.441 -1.958 1.00 0.00 C ATOM 646 CD1 LEU A 43 -2.870 -1.779 -2.292 1.00 0.00 C ATOM 647 CD2 LEU A 43 -2.930 0.125 -0.670 1.00 0.00 C ATOM 0 H LEU A 43 -3.352 2.051 -5.092 1.00 0.00 H new ATOM 0 HA LEU A 43 -3.594 -0.798 -4.766 1.00 0.00 H new ATOM 0 HB2 LEU A 43 -2.258 0.675 -3.284 1.00 0.00 H new ATOM 0 HB3 LEU A 43 -3.717 1.516 -2.798 1.00 0.00 H new ATOM 0 HG LEU A 43 -4.580 -0.601 -1.811 1.00 0.00 H new ATOM 0 HD11 LEU A 43 -3.013 -2.469 -1.460 1.00 0.00 H new ATOM 0 HD12 LEU A 43 -3.333 -2.191 -3.189 1.00 0.00 H new ATOM 0 HD13 LEU A 43 -1.803 -1.637 -2.467 1.00 0.00 H new ATOM 0 HD21 LEU A 43 -3.071 -0.592 0.139 1.00 0.00 H new ATOM 0 HD22 LEU A 43 -1.865 0.315 -0.805 1.00 0.00 H new ATOM 0 HD23 LEU A 43 -3.436 1.058 -0.421 1.00 0.00 H new ATOM 659 N ALA A 44 -5.934 -1.173 -3.887 1.00 0.00 N ATOM 660 CA ALA A 44 -7.352 -1.434 -3.669 1.00 0.00 C ATOM 661 C ALA A 44 -7.582 -2.139 -2.337 1.00 0.00 C ATOM 662 O ALA A 44 -6.683 -2.791 -1.807 1.00 0.00 O ATOM 663 CB ALA A 44 -7.918 -2.263 -4.812 1.00 0.00 C ATOM 0 H ALA A 44 -5.329 -1.981 -3.742 1.00 0.00 H new ATOM 0 HA ALA A 44 -7.872 -0.476 -3.638 1.00 0.00 H new ATOM 0 HB1 ALA A 44 -8.977 -2.450 -4.636 1.00 0.00 H new ATOM 0 HB2 ALA A 44 -7.796 -1.721 -5.750 1.00 0.00 H new ATOM 0 HB3 ALA A 44 -7.387 -3.213 -4.870 1.00 0.00 H new ATOM 669 N GLU A 45 -8.791 -2.002 -1.801 1.00 0.00 N ATOM 670 CA GLU A 45 -9.137 -2.625 -0.529 1.00 0.00 C ATOM 671 C GLU A 45 -10.009 -3.858 -0.747 1.00 0.00 C ATOM 672 O GLU A 45 -10.563 -4.057 -1.828 1.00 0.00 O ATOM 673 CB GLU A 45 -9.864 -1.626 0.373 1.00 0.00 C ATOM 674 CG GLU A 45 -9.458 -0.181 0.132 1.00 0.00 C ATOM 675 CD GLU A 45 -10.460 0.808 0.695 1.00 0.00 C ATOM 676 OE1 GLU A 45 -10.881 0.630 1.857 1.00 0.00 O ATOM 677 OE2 GLU A 45 -10.823 1.760 -0.026 1.00 0.00 O ATOM 0 H GLU A 45 -9.546 -1.466 -2.228 1.00 0.00 H new ATOM 0 HA GLU A 45 -8.212 -2.936 -0.043 1.00 0.00 H new ATOM 0 HB2 GLU A 45 -10.938 -1.724 0.217 1.00 0.00 H new ATOM 0 HB3 GLU A 45 -9.669 -1.881 1.415 1.00 0.00 H new ATOM 0 HG2 GLU A 45 -8.483 -0.001 0.584 1.00 0.00 H new ATOM 0 HG3 GLU A 45 -9.349 -0.012 -0.939 1.00 0.00 H new ATOM 684 N SER A 46 -10.125 -4.684 0.288 1.00 0.00 N ATOM 685 CA SER A 46 -10.926 -5.900 0.210 1.00 0.00 C ATOM 686 C SER A 46 -11.293 -6.400 1.604 1.00 0.00 C ATOM 687 O SER A 46 -10.973 -5.764 2.607 1.00 0.00 O ATOM 688 CB SER A 46 -10.166 -6.988 -0.551 1.00 0.00 C ATOM 689 OG SER A 46 -11.030 -8.047 -0.927 1.00 0.00 O ATOM 0 H SER A 46 -9.674 -4.533 1.191 1.00 0.00 H new ATOM 0 HA SER A 46 -11.846 -5.666 -0.326 1.00 0.00 H new ATOM 0 HB2 SER A 46 -9.704 -6.559 -1.440 1.00 0.00 H new ATOM 0 HB3 SER A 46 -9.360 -7.376 0.072 1.00 0.00 H new ATOM 0 HG SER A 46 -10.520 -8.728 -1.413 1.00 0.00 H new ATOM 695 N ASN A 47 -11.966 -7.545 1.657 1.00 0.00 N ATOM 696 CA ASN A 47 -12.377 -8.132 2.927 1.00 0.00 C ATOM 697 C ASN A 47 -11.247 -8.062 3.949 1.00 0.00 C ATOM 698 O ASN A 47 -11.489 -7.949 5.151 1.00 0.00 O ATOM 699 CB ASN A 47 -12.809 -9.585 2.725 1.00 0.00 C ATOM 700 CG ASN A 47 -11.627 -10.524 2.572 1.00 0.00 C ATOM 701 OD1 ASN A 47 -11.376 -11.368 3.431 1.00 0.00 O ATOM 702 ND2 ASN A 47 -10.895 -10.378 1.474 1.00 0.00 N ATOM 0 H ASN A 47 -12.238 -8.085 0.835 1.00 0.00 H new ATOM 0 HA ASN A 47 -13.223 -7.559 3.307 1.00 0.00 H new ATOM 0 HB2 ASN A 47 -13.414 -9.903 3.574 1.00 0.00 H new ATOM 0 HB3 ASN A 47 -13.441 -9.654 1.840 1.00 0.00 H new ATOM 0 HD21 ASN A 47 -10.087 -10.980 1.316 1.00 0.00 H new ATOM 0 HD22 ASN A 47 -11.141 -9.664 0.788 1.00 0.00 H new ATOM 709 N ARG A 48 -10.012 -8.130 3.464 1.00 0.00 N ATOM 710 CA ARG A 48 -8.844 -8.076 4.335 1.00 0.00 C ATOM 711 C ARG A 48 -8.203 -6.692 4.299 1.00 0.00 C ATOM 712 O ARG A 48 -8.050 -6.039 5.332 1.00 0.00 O ATOM 713 CB ARG A 48 -7.821 -9.135 3.918 1.00 0.00 C ATOM 714 CG ARG A 48 -8.290 -10.561 4.153 1.00 0.00 C ATOM 715 CD ARG A 48 -7.299 -11.572 3.600 1.00 0.00 C ATOM 716 NE ARG A 48 -7.208 -11.509 2.143 1.00 0.00 N ATOM 717 CZ ARG A 48 -6.631 -12.448 1.402 1.00 0.00 C ATOM 718 NH1 ARG A 48 -6.096 -13.516 1.977 1.00 0.00 N ATOM 719 NH2 ARG A 48 -6.589 -12.320 0.082 1.00 0.00 N ATOM 0 H ARG A 48 -9.794 -8.223 2.472 1.00 0.00 H new ATOM 0 HA ARG A 48 -9.172 -8.279 5.354 1.00 0.00 H new ATOM 0 HB2 ARG A 48 -7.589 -9.007 2.861 1.00 0.00 H new ATOM 0 HB3 ARG A 48 -6.895 -8.971 4.469 1.00 0.00 H new ATOM 0 HG2 ARG A 48 -8.425 -10.729 5.221 1.00 0.00 H new ATOM 0 HG3 ARG A 48 -9.262 -10.708 3.682 1.00 0.00 H new ATOM 0 HD2 ARG A 48 -6.315 -11.390 4.033 1.00 0.00 H new ATOM 0 HD3 ARG A 48 -7.599 -12.576 3.901 1.00 0.00 H new ATOM 0 HE ARG A 48 -7.609 -10.700 1.669 1.00 0.00 H new ATOM 0 HH11 ARG A 48 -6.127 -13.618 2.991 1.00 0.00 H new ATOM 0 HH12 ARG A 48 -5.654 -14.235 1.405 1.00 0.00 H new ATOM 0 HH21 ARG A 48 -7.000 -11.500 -0.364 1.00 0.00 H new ATOM 0 HH22 ARG A 48 -6.146 -13.042 -0.487 1.00 0.00 H new ATOM 733 N THR A 49 -7.829 -6.249 3.102 1.00 0.00 N ATOM 734 CA THR A 49 -7.203 -4.944 2.932 1.00 0.00 C ATOM 735 C THR A 49 -8.186 -3.819 3.237 1.00 0.00 C ATOM 736 O THR A 49 -9.360 -3.893 2.876 1.00 0.00 O ATOM 737 CB THR A 49 -6.662 -4.763 1.501 1.00 0.00 C ATOM 738 OG1 THR A 49 -5.819 -5.868 1.153 1.00 0.00 O ATOM 739 CG2 THR A 49 -5.880 -3.464 1.378 1.00 0.00 C ATOM 0 H THR A 49 -7.949 -6.775 2.237 1.00 0.00 H new ATOM 0 HA THR A 49 -6.372 -4.898 3.636 1.00 0.00 H new ATOM 0 HB THR A 49 -7.510 -4.724 0.818 1.00 0.00 H new ATOM 0 HG1 THR A 49 -5.480 -5.747 0.241 1.00 0.00 H new ATOM 0 HG21 THR A 49 -5.508 -3.358 0.359 1.00 0.00 H new ATOM 0 HG22 THR A 49 -6.532 -2.623 1.615 1.00 0.00 H new ATOM 0 HG23 THR A 49 -5.039 -3.478 2.071 1.00 0.00 H new ATOM 747 N ARG A 50 -7.697 -2.778 3.903 1.00 0.00 N ATOM 748 CA ARG A 50 -8.533 -1.637 4.257 1.00 0.00 C ATOM 749 C ARG A 50 -7.733 -0.339 4.204 1.00 0.00 C ATOM 750 O ARG A 50 -6.799 -0.142 4.982 1.00 0.00 O ATOM 751 CB ARG A 50 -9.125 -1.826 5.655 1.00 0.00 C ATOM 752 CG ARG A 50 -9.833 -0.592 6.189 1.00 0.00 C ATOM 753 CD ARG A 50 -11.305 -0.585 5.807 1.00 0.00 C ATOM 754 NE ARG A 50 -12.076 0.355 6.617 1.00 0.00 N ATOM 755 CZ ARG A 50 -13.385 0.250 6.819 1.00 0.00 C ATOM 756 NH1 ARG A 50 -14.065 -0.749 6.273 1.00 0.00 N ATOM 757 NH2 ARG A 50 -14.016 1.145 7.568 1.00 0.00 N ATOM 0 H ARG A 50 -6.727 -2.701 4.208 1.00 0.00 H new ATOM 0 HA ARG A 50 -9.344 -1.574 3.531 1.00 0.00 H new ATOM 0 HB2 ARG A 50 -9.830 -2.657 5.632 1.00 0.00 H new ATOM 0 HB3 ARG A 50 -8.327 -2.103 6.344 1.00 0.00 H new ATOM 0 HG2 ARG A 50 -9.737 -0.558 7.274 1.00 0.00 H new ATOM 0 HG3 ARG A 50 -9.350 0.304 5.798 1.00 0.00 H new ATOM 0 HD2 ARG A 50 -11.405 -0.323 4.754 1.00 0.00 H new ATOM 0 HD3 ARG A 50 -11.715 -1.588 5.926 1.00 0.00 H new ATOM 0 HE ARG A 50 -11.582 1.135 7.051 1.00 0.00 H new ATOM 0 HH11 ARG A 50 -13.583 -1.439 5.697 1.00 0.00 H new ATOM 0 HH12 ARG A 50 -15.070 -0.828 6.430 1.00 0.00 H new ATOM 0 HH21 ARG A 50 -13.496 1.915 7.989 1.00 0.00 H new ATOM 0 HH22 ARG A 50 -15.021 1.063 7.722 1.00 0.00 H new ATOM 771 N ILE A 51 -8.104 0.542 3.281 1.00 0.00 N ATOM 772 CA ILE A 51 -7.422 1.820 3.127 1.00 0.00 C ATOM 773 C ILE A 51 -8.236 2.955 3.738 1.00 0.00 C ATOM 774 O ILE A 51 -9.280 3.340 3.211 1.00 0.00 O ATOM 775 CB ILE A 51 -7.150 2.138 1.645 1.00 0.00 C ATOM 776 CG1 ILE A 51 -6.328 1.019 1.002 1.00 0.00 C ATOM 777 CG2 ILE A 51 -6.432 3.473 1.512 1.00 0.00 C ATOM 778 CD1 ILE A 51 -6.435 0.980 -0.506 1.00 0.00 C ATOM 0 H ILE A 51 -8.874 0.393 2.628 1.00 0.00 H new ATOM 0 HA ILE A 51 -6.471 1.735 3.652 1.00 0.00 H new ATOM 0 HB ILE A 51 -8.105 2.207 1.124 1.00 0.00 H new ATOM 0 HG12 ILE A 51 -5.281 1.142 1.281 1.00 0.00 H new ATOM 0 HG13 ILE A 51 -6.655 0.061 1.406 1.00 0.00 H new ATOM 0 HG21 ILE A 51 -6.247 3.683 0.459 1.00 0.00 H new ATOM 0 HG22 ILE A 51 -7.051 4.263 1.936 1.00 0.00 H new ATOM 0 HG23 ILE A 51 -5.483 3.430 2.046 1.00 0.00 H new ATOM 0 HD11 ILE A 51 -5.827 0.162 -0.893 1.00 0.00 H new ATOM 0 HD12 ILE A 51 -7.475 0.826 -0.793 1.00 0.00 H new ATOM 0 HD13 ILE A 51 -6.080 1.924 -0.920 1.00 0.00 H new ATOM 790 N THR A 52 -7.750 3.491 4.853 1.00 0.00 N ATOM 791 CA THR A 52 -8.431 4.583 5.537 1.00 0.00 C ATOM 792 C THR A 52 -7.935 5.937 5.041 1.00 0.00 C ATOM 793 O THR A 52 -8.168 6.965 5.676 1.00 0.00 O ATOM 794 CB THR A 52 -8.232 4.503 7.062 1.00 0.00 C ATOM 795 OG1 THR A 52 -6.834 4.471 7.372 1.00 0.00 O ATOM 796 CG2 THR A 52 -8.912 3.267 7.632 1.00 0.00 C ATOM 0 H THR A 52 -6.886 3.186 5.302 1.00 0.00 H new ATOM 0 HA THR A 52 -9.493 4.483 5.312 1.00 0.00 H new ATOM 0 HB THR A 52 -8.684 5.387 7.513 1.00 0.00 H new ATOM 0 HG1 THR A 52 -6.448 3.628 7.055 1.00 0.00 H new ATOM 0 HG21 THR A 52 -8.758 3.232 8.710 1.00 0.00 H new ATOM 0 HG22 THR A 52 -9.980 3.309 7.419 1.00 0.00 H new ATOM 0 HG23 THR A 52 -8.486 2.374 7.175 1.00 0.00 H new ATOM 804 N GLY A 53 -7.249 5.930 3.902 1.00 0.00 N ATOM 805 CA GLY A 53 -6.731 7.164 3.340 1.00 0.00 C ATOM 806 C GLY A 53 -5.234 7.304 3.532 1.00 0.00 C ATOM 807 O GLY A 53 -4.481 7.364 2.561 1.00 0.00 O ATOM 0 H GLY A 53 -7.043 5.092 3.358 1.00 0.00 H new ATOM 0 HA2 GLY A 53 -6.963 7.200 2.276 1.00 0.00 H new ATOM 0 HA3 GLY A 53 -7.235 8.011 3.805 1.00 0.00 H new ATOM 811 N GLU A 54 -4.803 7.359 4.789 1.00 0.00 N ATOM 812 CA GLU A 54 -3.385 7.496 5.103 1.00 0.00 C ATOM 813 C GLU A 54 -2.880 6.283 5.879 1.00 0.00 C ATOM 814 O GLU A 54 -1.720 6.233 6.285 1.00 0.00 O ATOM 815 CB GLU A 54 -3.141 8.771 5.914 1.00 0.00 C ATOM 816 CG GLU A 54 -3.264 8.570 7.415 1.00 0.00 C ATOM 817 CD GLU A 54 -3.610 9.851 8.149 1.00 0.00 C ATOM 818 OE1 GLU A 54 -4.752 10.332 7.999 1.00 0.00 O ATOM 819 OE2 GLU A 54 -2.737 10.373 8.873 1.00 0.00 O ATOM 0 H GLU A 54 -5.414 7.311 5.604 1.00 0.00 H new ATOM 0 HA GLU A 54 -2.835 7.560 4.164 1.00 0.00 H new ATOM 0 HB2 GLU A 54 -2.145 9.151 5.687 1.00 0.00 H new ATOM 0 HB3 GLU A 54 -3.853 9.534 5.599 1.00 0.00 H new ATOM 0 HG2 GLU A 54 -4.031 7.822 7.616 1.00 0.00 H new ATOM 0 HG3 GLU A 54 -2.325 8.176 7.803 1.00 0.00 H new ATOM 826 N GLU A 55 -3.761 5.307 6.079 1.00 0.00 N ATOM 827 CA GLU A 55 -3.404 4.095 6.806 1.00 0.00 C ATOM 828 C GLU A 55 -4.049 2.868 6.168 1.00 0.00 C ATOM 829 O GLU A 55 -5.264 2.819 5.980 1.00 0.00 O ATOM 830 CB GLU A 55 -3.834 4.207 8.271 1.00 0.00 C ATOM 831 CG GLU A 55 -2.768 4.804 9.174 1.00 0.00 C ATOM 832 CD GLU A 55 -3.201 4.866 10.626 1.00 0.00 C ATOM 833 OE1 GLU A 55 -4.150 5.620 10.929 1.00 0.00 O ATOM 834 OE2 GLU A 55 -2.592 4.162 11.458 1.00 0.00 O ATOM 0 H GLU A 55 -4.725 5.332 5.748 1.00 0.00 H new ATOM 0 HA GLU A 55 -2.321 3.980 6.760 1.00 0.00 H new ATOM 0 HB2 GLU A 55 -4.734 4.819 8.331 1.00 0.00 H new ATOM 0 HB3 GLU A 55 -4.098 3.216 8.640 1.00 0.00 H new ATOM 0 HG2 GLU A 55 -1.857 4.211 9.096 1.00 0.00 H new ATOM 0 HG3 GLU A 55 -2.525 5.809 8.828 1.00 0.00 H new ATOM 841 N VAL A 56 -3.225 1.878 5.838 1.00 0.00 N ATOM 842 CA VAL A 56 -3.714 0.651 5.221 1.00 0.00 C ATOM 843 C VAL A 56 -3.616 -0.526 6.186 1.00 0.00 C ATOM 844 O VAL A 56 -2.596 -0.714 6.848 1.00 0.00 O ATOM 845 CB VAL A 56 -2.929 0.315 3.939 1.00 0.00 C ATOM 846 CG1 VAL A 56 -3.321 -1.058 3.417 1.00 0.00 C ATOM 847 CG2 VAL A 56 -3.159 1.383 2.880 1.00 0.00 C ATOM 0 H VAL A 56 -2.216 1.902 5.988 1.00 0.00 H new ATOM 0 HA VAL A 56 -4.759 0.821 4.964 1.00 0.00 H new ATOM 0 HB VAL A 56 -1.866 0.295 4.179 1.00 0.00 H new ATOM 0 HG11 VAL A 56 -2.756 -1.278 2.511 1.00 0.00 H new ATOM 0 HG12 VAL A 56 -3.101 -1.811 4.173 1.00 0.00 H new ATOM 0 HG13 VAL A 56 -4.387 -1.071 3.192 1.00 0.00 H new ATOM 0 HG21 VAL A 56 -2.597 1.131 1.981 1.00 0.00 H new ATOM 0 HG22 VAL A 56 -4.221 1.436 2.641 1.00 0.00 H new ATOM 0 HG23 VAL A 56 -2.823 2.349 3.258 1.00 0.00 H new ATOM 857 N GLU A 57 -4.683 -1.315 6.259 1.00 0.00 N ATOM 858 CA GLU A 57 -4.717 -2.473 7.144 1.00 0.00 C ATOM 859 C GLU A 57 -5.253 -3.701 6.413 1.00 0.00 C ATOM 860 O GLU A 57 -6.392 -3.711 5.946 1.00 0.00 O ATOM 861 CB GLU A 57 -5.581 -2.180 8.372 1.00 0.00 C ATOM 862 CG GLU A 57 -5.801 -3.390 9.264 1.00 0.00 C ATOM 863 CD GLU A 57 -6.883 -3.161 10.302 1.00 0.00 C ATOM 864 OE1 GLU A 57 -6.772 -2.182 11.069 1.00 0.00 O ATOM 865 OE2 GLU A 57 -7.841 -3.960 10.346 1.00 0.00 O ATOM 0 H GLU A 57 -5.535 -1.173 5.716 1.00 0.00 H new ATOM 0 HA GLU A 57 -3.697 -2.680 7.468 1.00 0.00 H new ATOM 0 HB2 GLU A 57 -5.111 -1.389 8.956 1.00 0.00 H new ATOM 0 HB3 GLU A 57 -6.549 -1.801 8.043 1.00 0.00 H new ATOM 0 HG2 GLU A 57 -6.070 -4.247 8.647 1.00 0.00 H new ATOM 0 HG3 GLU A 57 -4.867 -3.640 9.767 1.00 0.00 H new ATOM 872 N VAL A 58 -4.423 -4.735 6.318 1.00 0.00 N ATOM 873 CA VAL A 58 -4.812 -5.968 5.645 1.00 0.00 C ATOM 874 C VAL A 58 -4.782 -7.152 6.605 1.00 0.00 C ATOM 875 O VAL A 58 -3.721 -7.544 7.089 1.00 0.00 O ATOM 876 CB VAL A 58 -3.890 -6.269 4.448 1.00 0.00 C ATOM 877 CG1 VAL A 58 -4.491 -7.357 3.571 1.00 0.00 C ATOM 878 CG2 VAL A 58 -3.633 -5.005 3.642 1.00 0.00 C ATOM 0 H VAL A 58 -3.477 -4.743 6.699 1.00 0.00 H new ATOM 0 HA VAL A 58 -5.830 -5.823 5.283 1.00 0.00 H new ATOM 0 HB VAL A 58 -2.935 -6.630 4.830 1.00 0.00 H new ATOM 0 HG11 VAL A 58 -3.826 -7.556 2.731 1.00 0.00 H new ATOM 0 HG12 VAL A 58 -4.618 -8.267 4.157 1.00 0.00 H new ATOM 0 HG13 VAL A 58 -5.460 -7.028 3.196 1.00 0.00 H new ATOM 0 HG21 VAL A 58 -2.980 -5.237 2.801 1.00 0.00 H new ATOM 0 HG22 VAL A 58 -4.579 -4.612 3.270 1.00 0.00 H new ATOM 0 HG23 VAL A 58 -3.155 -4.259 4.277 1.00 0.00 H new ATOM 888 N GLN A 59 -5.955 -7.716 6.877 1.00 0.00 N ATOM 889 CA GLN A 59 -6.063 -8.855 7.781 1.00 0.00 C ATOM 890 C GLN A 59 -5.599 -10.137 7.098 1.00 0.00 C ATOM 891 O GLN A 59 -5.766 -10.304 5.890 1.00 0.00 O ATOM 892 CB GLN A 59 -7.505 -9.014 8.265 1.00 0.00 C ATOM 893 CG GLN A 59 -8.024 -7.811 9.037 1.00 0.00 C ATOM 894 CD GLN A 59 -9.490 -7.938 9.399 1.00 0.00 C ATOM 895 OE1 GLN A 59 -9.981 -9.033 9.677 1.00 0.00 O ATOM 896 NE2 GLN A 59 -10.200 -6.816 9.398 1.00 0.00 N ATOM 0 H GLN A 59 -6.843 -7.403 6.485 1.00 0.00 H new ATOM 0 HA GLN A 59 -5.418 -8.668 8.640 1.00 0.00 H new ATOM 0 HB2 GLN A 59 -8.151 -9.189 7.405 1.00 0.00 H new ATOM 0 HB3 GLN A 59 -7.571 -9.898 8.899 1.00 0.00 H new ATOM 0 HG2 GLN A 59 -7.438 -7.688 9.948 1.00 0.00 H new ATOM 0 HG3 GLN A 59 -7.878 -6.911 8.440 1.00 0.00 H new ATOM 0 HE21 GLN A 59 -9.753 -5.930 9.162 1.00 0.00 H new ATOM 0 HE22 GLN A 59 -11.192 -6.840 9.634 1.00 0.00 H new ATOM 905 N ASP A 60 -5.016 -11.040 7.879 1.00 0.00 N ATOM 906 CA ASP A 60 -4.528 -12.308 7.350 1.00 0.00 C ATOM 907 C ASP A 60 -3.696 -12.087 6.090 1.00 0.00 C ATOM 908 O ASP A 60 -3.877 -12.776 5.086 1.00 0.00 O ATOM 909 CB ASP A 60 -5.700 -13.242 7.044 1.00 0.00 C ATOM 910 CG ASP A 60 -5.330 -14.704 7.196 1.00 0.00 C ATOM 911 OD1 ASP A 60 -4.577 -15.217 6.342 1.00 0.00 O ATOM 912 OD2 ASP A 60 -5.794 -15.336 8.169 1.00 0.00 O ATOM 0 H ASP A 60 -4.870 -10.917 8.881 1.00 0.00 H new ATOM 0 HA ASP A 60 -3.894 -12.769 8.107 1.00 0.00 H new ATOM 0 HB2 ASP A 60 -6.530 -13.009 7.711 1.00 0.00 H new ATOM 0 HB3 ASP A 60 -6.048 -13.062 6.027 1.00 0.00 H new ATOM 917 N SER A 61 -2.784 -11.122 6.151 1.00 0.00 N ATOM 918 CA SER A 61 -1.927 -10.807 5.014 1.00 0.00 C ATOM 919 C SER A 61 -1.425 -12.082 4.343 1.00 0.00 C ATOM 920 O SER A 61 -1.531 -13.174 4.900 1.00 0.00 O ATOM 921 CB SER A 61 -0.740 -9.953 5.465 1.00 0.00 C ATOM 922 OG SER A 61 0.196 -10.726 6.195 1.00 0.00 O ATOM 0 H SER A 61 -2.620 -10.545 6.976 1.00 0.00 H new ATOM 0 HA SER A 61 -2.517 -10.244 4.290 1.00 0.00 H new ATOM 0 HB2 SER A 61 -0.253 -9.513 4.595 1.00 0.00 H new ATOM 0 HB3 SER A 61 -1.095 -9.128 6.082 1.00 0.00 H new ATOM 0 HG SER A 61 0.945 -10.158 6.470 1.00 0.00 H new ATOM 928 N VAL A 62 -0.878 -11.934 3.141 1.00 0.00 N ATOM 929 CA VAL A 62 -0.358 -13.072 2.392 1.00 0.00 C ATOM 930 C VAL A 62 0.867 -12.678 1.573 1.00 0.00 C ATOM 931 O VAL A 62 1.114 -11.501 1.308 1.00 0.00 O ATOM 932 CB VAL A 62 -1.425 -13.658 1.449 1.00 0.00 C ATOM 933 CG1 VAL A 62 -2.208 -14.759 2.148 1.00 0.00 C ATOM 934 CG2 VAL A 62 -2.357 -12.563 0.953 1.00 0.00 C ATOM 0 H VAL A 62 -0.783 -11.037 2.665 1.00 0.00 H new ATOM 0 HA VAL A 62 -0.075 -13.829 3.123 1.00 0.00 H new ATOM 0 HB VAL A 62 -0.922 -14.094 0.586 1.00 0.00 H new ATOM 0 HG11 VAL A 62 -2.957 -15.161 1.466 1.00 0.00 H new ATOM 0 HG12 VAL A 62 -1.527 -15.555 2.449 1.00 0.00 H new ATOM 0 HG13 VAL A 62 -2.702 -14.351 3.030 1.00 0.00 H new ATOM 0 HG21 VAL A 62 -3.105 -12.995 0.288 1.00 0.00 H new ATOM 0 HG22 VAL A 62 -2.854 -12.096 1.803 1.00 0.00 H new ATOM 0 HG23 VAL A 62 -1.781 -11.812 0.412 1.00 0.00 H new ATOM 944 N PRO A 63 1.652 -13.684 1.162 1.00 0.00 N ATOM 945 CA PRO A 63 2.864 -13.468 0.366 1.00 0.00 C ATOM 946 C PRO A 63 2.551 -13.003 -1.052 1.00 0.00 C ATOM 947 O PRO A 63 3.452 -12.837 -1.874 1.00 0.00 O ATOM 948 CB PRO A 63 3.524 -14.849 0.343 1.00 0.00 C ATOM 949 CG PRO A 63 2.402 -15.808 0.545 1.00 0.00 C ATOM 950 CD PRO A 63 1.418 -15.111 1.442 1.00 0.00 C ATOM 0 HA PRO A 63 3.495 -12.686 0.788 1.00 0.00 H new ATOM 0 HB2 PRO A 63 4.033 -15.029 -0.604 1.00 0.00 H new ATOM 0 HB3 PRO A 63 4.272 -14.943 1.130 1.00 0.00 H new ATOM 0 HG2 PRO A 63 1.941 -16.076 -0.406 1.00 0.00 H new ATOM 0 HG3 PRO A 63 2.757 -16.733 0.999 1.00 0.00 H new ATOM 0 HD2 PRO A 63 0.392 -15.402 1.216 1.00 0.00 H new ATOM 0 HD3 PRO A 63 1.593 -15.348 2.491 1.00 0.00 H new ATOM 958 N ALA A 64 1.269 -12.794 -1.332 1.00 0.00 N ATOM 959 CA ALA A 64 0.838 -12.346 -2.650 1.00 0.00 C ATOM 960 C ALA A 64 0.459 -10.869 -2.631 1.00 0.00 C ATOM 961 O ALA A 64 0.526 -10.188 -3.654 1.00 0.00 O ATOM 962 CB ALA A 64 -0.333 -13.186 -3.136 1.00 0.00 C ATOM 0 H ALA A 64 0.511 -12.928 -0.663 1.00 0.00 H new ATOM 0 HA ALA A 64 1.673 -12.472 -3.340 1.00 0.00 H new ATOM 0 HB1 ALA A 64 -0.645 -12.840 -4.122 1.00 0.00 H new ATOM 0 HB2 ALA A 64 -0.030 -14.231 -3.197 1.00 0.00 H new ATOM 0 HB3 ALA A 64 -1.165 -13.089 -2.438 1.00 0.00 H new ATOM 968 N ASP A 65 0.062 -10.380 -1.461 1.00 0.00 N ATOM 969 CA ASP A 65 -0.327 -8.983 -1.309 1.00 0.00 C ATOM 970 C ASP A 65 0.897 -8.097 -1.101 1.00 0.00 C ATOM 971 O ASP A 65 0.859 -6.895 -1.365 1.00 0.00 O ATOM 972 CB ASP A 65 -1.292 -8.825 -0.132 1.00 0.00 C ATOM 973 CG ASP A 65 -2.545 -9.663 -0.295 1.00 0.00 C ATOM 974 OD1 ASP A 65 -2.950 -9.906 -1.451 1.00 0.00 O ATOM 975 OD2 ASP A 65 -3.121 -10.074 0.734 1.00 0.00 O ATOM 0 H ASP A 65 0.001 -10.930 -0.604 1.00 0.00 H new ATOM 0 HA ASP A 65 -0.828 -8.670 -2.225 1.00 0.00 H new ATOM 0 HB2 ASP A 65 -0.785 -9.109 0.790 1.00 0.00 H new ATOM 0 HB3 ASP A 65 -1.570 -7.776 -0.032 1.00 0.00 H new ATOM 980 N SER A 66 1.983 -8.699 -0.625 1.00 0.00 N ATOM 981 CA SER A 66 3.217 -7.964 -0.376 1.00 0.00 C ATOM 982 C SER A 66 3.618 -7.145 -1.600 1.00 0.00 C ATOM 983 O SER A 66 2.950 -7.184 -2.632 1.00 0.00 O ATOM 984 CB SER A 66 4.344 -8.930 -0.004 1.00 0.00 C ATOM 985 OG SER A 66 4.643 -9.804 -1.078 1.00 0.00 O ATOM 0 H SER A 66 2.033 -9.694 -0.404 1.00 0.00 H new ATOM 0 HA SER A 66 3.043 -7.281 0.456 1.00 0.00 H new ATOM 0 HB2 SER A 66 5.236 -8.365 0.268 1.00 0.00 H new ATOM 0 HB3 SER A 66 4.055 -9.511 0.872 1.00 0.00 H new ATOM 0 HG SER A 66 5.367 -10.410 -0.815 1.00 0.00 H new ATOM 991 N GLY A 67 4.714 -6.403 -1.475 1.00 0.00 N ATOM 992 CA GLY A 67 5.186 -5.585 -2.577 1.00 0.00 C ATOM 993 C GLY A 67 5.747 -4.256 -2.113 1.00 0.00 C ATOM 994 O GLY A 67 6.179 -4.121 -0.967 1.00 0.00 O ATOM 0 H GLY A 67 5.284 -6.354 -0.630 1.00 0.00 H new ATOM 0 HA2 GLY A 67 5.955 -6.129 -3.126 1.00 0.00 H new ATOM 0 HA3 GLY A 67 4.365 -5.407 -3.271 1.00 0.00 H new ATOM 998 N LEU A 68 5.744 -3.271 -3.004 1.00 0.00 N ATOM 999 CA LEU A 68 6.258 -1.945 -2.681 1.00 0.00 C ATOM 1000 C LEU A 68 5.148 -0.900 -2.740 1.00 0.00 C ATOM 1001 O LEU A 68 4.862 -0.343 -3.800 1.00 0.00 O ATOM 1002 CB LEU A 68 7.384 -1.564 -3.644 1.00 0.00 C ATOM 1003 CG LEU A 68 8.038 -0.202 -3.407 1.00 0.00 C ATOM 1004 CD1 LEU A 68 8.809 -0.201 -2.096 1.00 0.00 C ATOM 1005 CD2 LEU A 68 8.955 0.158 -4.567 1.00 0.00 C ATOM 0 H LEU A 68 5.391 -3.366 -3.956 1.00 0.00 H new ATOM 0 HA LEU A 68 6.651 -1.973 -1.665 1.00 0.00 H new ATOM 0 HB2 LEU A 68 8.157 -2.330 -3.589 1.00 0.00 H new ATOM 0 HB3 LEU A 68 6.988 -1.583 -4.660 1.00 0.00 H new ATOM 0 HG LEU A 68 7.252 0.551 -3.343 1.00 0.00 H new ATOM 0 HD11 LEU A 68 9.267 0.776 -1.944 1.00 0.00 H new ATOM 0 HD12 LEU A 68 8.127 -0.414 -1.273 1.00 0.00 H new ATOM 0 HD13 LEU A 68 9.586 -0.965 -2.130 1.00 0.00 H new ATOM 0 HD21 LEU A 68 9.412 1.130 -4.382 1.00 0.00 H new ATOM 0 HD22 LEU A 68 9.735 -0.597 -4.662 1.00 0.00 H new ATOM 0 HD23 LEU A 68 8.376 0.199 -5.489 1.00 0.00 H new ATOM 1017 N TYR A 69 4.527 -0.639 -1.595 1.00 0.00 N ATOM 1018 CA TYR A 69 3.448 0.339 -1.517 1.00 0.00 C ATOM 1019 C TYR A 69 3.994 1.761 -1.600 1.00 0.00 C ATOM 1020 O TYR A 69 5.100 2.041 -1.139 1.00 0.00 O ATOM 1021 CB TYR A 69 2.662 0.158 -0.218 1.00 0.00 C ATOM 1022 CG TYR A 69 1.927 -1.161 -0.133 1.00 0.00 C ATOM 1023 CD1 TYR A 69 2.616 -2.351 0.069 1.00 0.00 C ATOM 1024 CD2 TYR A 69 0.544 -1.217 -0.254 1.00 0.00 C ATOM 1025 CE1 TYR A 69 1.949 -3.558 0.146 1.00 0.00 C ATOM 1026 CE2 TYR A 69 -0.131 -2.420 -0.177 1.00 0.00 C ATOM 1027 CZ TYR A 69 0.576 -3.588 0.023 1.00 0.00 C ATOM 1028 OH TYR A 69 -0.092 -4.788 0.101 1.00 0.00 O ATOM 0 H TYR A 69 4.752 -1.091 -0.709 1.00 0.00 H new ATOM 0 HA TYR A 69 2.781 0.176 -2.364 1.00 0.00 H new ATOM 0 HB2 TYR A 69 3.348 0.237 0.626 1.00 0.00 H new ATOM 0 HB3 TYR A 69 1.943 0.972 -0.122 1.00 0.00 H new ATOM 0 HD1 TYR A 69 3.691 -2.332 0.167 1.00 0.00 H new ATOM 0 HD2 TYR A 69 -0.013 -0.305 -0.411 1.00 0.00 H new ATOM 0 HE1 TYR A 69 2.500 -4.474 0.302 1.00 0.00 H new ATOM 0 HE2 TYR A 69 -1.206 -2.446 -0.273 1.00 0.00 H new ATOM 0 HH TYR A 69 0.437 -5.486 -0.338 1.00 0.00 H new ATOM 1038 N ALA A 70 3.209 2.656 -2.192 1.00 0.00 N ATOM 1039 CA ALA A 70 3.611 4.049 -2.334 1.00 0.00 C ATOM 1040 C ALA A 70 2.417 4.984 -2.176 1.00 0.00 C ATOM 1041 O ALA A 70 1.473 4.941 -2.965 1.00 0.00 O ATOM 1042 CB ALA A 70 4.282 4.270 -3.681 1.00 0.00 C ATOM 0 H ALA A 70 2.291 2.440 -2.581 1.00 0.00 H new ATOM 0 HA ALA A 70 4.325 4.277 -1.543 1.00 0.00 H new ATOM 0 HB1 ALA A 70 4.577 5.315 -3.773 1.00 0.00 H new ATOM 0 HB2 ALA A 70 5.165 3.636 -3.756 1.00 0.00 H new ATOM 0 HB3 ALA A 70 3.585 4.018 -4.480 1.00 0.00 H new ATOM 1048 N CYS A 71 2.464 5.828 -1.150 1.00 0.00 N ATOM 1049 CA CYS A 71 1.385 6.773 -0.887 1.00 0.00 C ATOM 1050 C CYS A 71 1.743 8.164 -1.402 1.00 0.00 C ATOM 1051 O CYS A 71 2.789 8.715 -1.057 1.00 0.00 O ATOM 1052 CB CYS A 71 1.086 6.833 0.612 1.00 0.00 C ATOM 1053 SG CYS A 71 2.211 7.914 1.552 1.00 0.00 S ATOM 0 H CYS A 71 3.238 5.877 -0.487 1.00 0.00 H new ATOM 0 HA CYS A 71 0.496 6.427 -1.414 1.00 0.00 H new ATOM 0 HB2 CYS A 71 0.063 7.180 0.754 1.00 0.00 H new ATOM 0 HB3 CYS A 71 1.140 5.825 1.023 1.00 0.00 H new ATOM 1058 N VAL A 72 0.867 8.727 -2.228 1.00 0.00 N ATOM 1059 CA VAL A 72 1.089 10.054 -2.789 1.00 0.00 C ATOM 1060 C VAL A 72 0.018 11.034 -2.324 1.00 0.00 C ATOM 1061 O VAL A 72 -1.172 10.833 -2.570 1.00 0.00 O ATOM 1062 CB VAL A 72 1.103 10.017 -4.329 1.00 0.00 C ATOM 1063 CG1 VAL A 72 1.691 11.303 -4.889 1.00 0.00 C ATOM 1064 CG2 VAL A 72 1.878 8.806 -4.826 1.00 0.00 C ATOM 0 H VAL A 72 -0.003 8.284 -2.523 1.00 0.00 H new ATOM 0 HA VAL A 72 2.063 10.390 -2.432 1.00 0.00 H new ATOM 0 HB VAL A 72 0.075 9.932 -4.682 1.00 0.00 H new ATOM 0 HG11 VAL A 72 1.693 11.258 -5.978 1.00 0.00 H new ATOM 0 HG12 VAL A 72 1.089 12.151 -4.562 1.00 0.00 H new ATOM 0 HG13 VAL A 72 2.713 11.423 -4.529 1.00 0.00 H new ATOM 0 HG21 VAL A 72 1.878 8.796 -5.916 1.00 0.00 H new ATOM 0 HG22 VAL A 72 2.905 8.858 -4.464 1.00 0.00 H new ATOM 0 HG23 VAL A 72 1.408 7.896 -4.455 1.00 0.00 H new ATOM 1074 N THR A 73 0.447 12.097 -1.651 1.00 0.00 N ATOM 1075 CA THR A 73 -0.475 13.108 -1.151 1.00 0.00 C ATOM 1076 C THR A 73 -0.416 14.373 -1.999 1.00 0.00 C ATOM 1077 O THR A 73 0.663 14.839 -2.363 1.00 0.00 O ATOM 1078 CB THR A 73 -0.169 13.472 0.314 1.00 0.00 C ATOM 1079 OG1 THR A 73 1.037 14.241 0.386 1.00 0.00 O ATOM 1080 CG2 THR A 73 -0.028 12.219 1.165 1.00 0.00 C ATOM 0 H THR A 73 1.428 12.280 -1.440 1.00 0.00 H new ATOM 0 HA THR A 73 -1.476 12.680 -1.210 1.00 0.00 H new ATOM 0 HB THR A 73 -1.000 14.063 0.700 1.00 0.00 H new ATOM 0 HG1 THR A 73 1.224 14.470 1.320 1.00 0.00 H new ATOM 0 HG21 THR A 73 0.188 12.501 2.195 1.00 0.00 H new ATOM 0 HG22 THR A 73 -0.957 11.650 1.132 1.00 0.00 H new ATOM 0 HG23 THR A 73 0.786 11.606 0.778 1.00 0.00 H new ATOM 1088 N SER A 74 -1.585 14.926 -2.311 1.00 0.00 N ATOM 1089 CA SER A 74 -1.666 16.136 -3.120 1.00 0.00 C ATOM 1090 C SER A 74 -1.702 17.379 -2.236 1.00 0.00 C ATOM 1091 O SER A 74 -2.676 17.617 -1.521 1.00 0.00 O ATOM 1092 CB SER A 74 -2.907 16.095 -4.014 1.00 0.00 C ATOM 1093 OG SER A 74 -2.844 15.013 -4.926 1.00 0.00 O ATOM 0 H SER A 74 -2.488 14.555 -2.016 1.00 0.00 H new ATOM 0 HA SER A 74 -0.776 16.184 -3.748 1.00 0.00 H new ATOM 0 HB2 SER A 74 -3.801 16.003 -3.397 1.00 0.00 H new ATOM 0 HB3 SER A 74 -2.994 17.033 -4.563 1.00 0.00 H new ATOM 0 HG SER A 74 -3.649 15.008 -5.484 1.00 0.00 H new ATOM 1153 N ASP A 80 3.926 14.819 -2.189 1.00 0.00 N ATOM 1154 CA ASP A 80 4.938 13.961 -1.584 1.00 0.00 C ATOM 1155 C ASP A 80 4.651 12.492 -1.879 1.00 0.00 C ATOM 1156 O ASP A 80 3.574 12.143 -2.362 1.00 0.00 O ATOM 1157 CB ASP A 80 4.993 14.189 -0.073 1.00 0.00 C ATOM 1158 CG ASP A 80 6.390 14.009 0.489 1.00 0.00 C ATOM 1159 OD1 ASP A 80 7.266 13.511 -0.248 1.00 0.00 O ATOM 1160 OD2 ASP A 80 6.606 14.366 1.667 1.00 0.00 O ATOM 0 HA ASP A 80 5.904 14.218 -2.018 1.00 0.00 H new ATOM 0 HB2 ASP A 80 4.641 15.195 0.153 1.00 0.00 H new ATOM 0 HB3 ASP A 80 4.313 13.495 0.421 1.00 0.00 H new ATOM 1165 N THR A 81 5.624 11.634 -1.586 1.00 0.00 N ATOM 1166 CA THR A 81 5.478 10.204 -1.822 1.00 0.00 C ATOM 1167 C THR A 81 6.198 9.393 -0.750 1.00 0.00 C ATOM 1168 O THR A 81 7.324 9.712 -0.367 1.00 0.00 O ATOM 1169 CB THR A 81 6.024 9.803 -3.205 1.00 0.00 C ATOM 1170 OG1 THR A 81 5.509 10.685 -4.209 1.00 0.00 O ATOM 1171 CG2 THR A 81 5.647 8.368 -3.542 1.00 0.00 C ATOM 0 H THR A 81 6.522 11.906 -1.185 1.00 0.00 H new ATOM 0 HA THR A 81 4.411 9.986 -1.784 1.00 0.00 H new ATOM 0 HB THR A 81 7.111 9.879 -3.177 1.00 0.00 H new ATOM 0 HG1 THR A 81 5.862 10.425 -5.085 1.00 0.00 H new ATOM 0 HG21 THR A 81 6.044 8.108 -4.523 1.00 0.00 H new ATOM 0 HG22 THR A 81 6.065 7.696 -2.792 1.00 0.00 H new ATOM 0 HG23 THR A 81 4.561 8.270 -3.552 1.00 0.00 H new ATOM 1179 N THR A 82 5.542 8.342 -0.268 1.00 0.00 N ATOM 1180 CA THR A 82 6.119 7.486 0.760 1.00 0.00 C ATOM 1181 C THR A 82 6.059 6.019 0.351 1.00 0.00 C ATOM 1182 O THR A 82 4.978 5.459 0.168 1.00 0.00 O ATOM 1183 CB THR A 82 5.396 7.662 2.109 1.00 0.00 C ATOM 1184 OG1 THR A 82 4.907 9.002 2.231 1.00 0.00 O ATOM 1185 CG2 THR A 82 6.330 7.349 3.268 1.00 0.00 C ATOM 0 H THR A 82 4.610 8.063 -0.574 1.00 0.00 H new ATOM 0 HA THR A 82 7.161 7.786 0.873 1.00 0.00 H new ATOM 0 HB THR A 82 4.558 6.966 2.141 1.00 0.00 H new ATOM 0 HG1 THR A 82 3.930 8.988 2.306 1.00 0.00 H new ATOM 0 HG21 THR A 82 5.798 7.480 4.210 1.00 0.00 H new ATOM 0 HG22 THR A 82 6.677 6.319 3.188 1.00 0.00 H new ATOM 0 HG23 THR A 82 7.186 8.023 3.238 1.00 0.00 H new ATOM 1193 N TYR A 83 7.226 5.400 0.211 1.00 0.00 N ATOM 1194 CA TYR A 83 7.306 3.997 -0.178 1.00 0.00 C ATOM 1195 C TYR A 83 7.299 3.091 1.049 1.00 0.00 C ATOM 1196 O TYR A 83 7.622 3.522 2.156 1.00 0.00 O ATOM 1197 CB TYR A 83 8.568 3.746 -1.004 1.00 0.00 C ATOM 1198 CG TYR A 83 8.544 4.408 -2.364 1.00 0.00 C ATOM 1199 CD1 TYR A 83 8.867 5.751 -2.510 1.00 0.00 C ATOM 1200 CD2 TYR A 83 8.198 3.690 -3.502 1.00 0.00 C ATOM 1201 CE1 TYR A 83 8.846 6.360 -3.750 1.00 0.00 C ATOM 1202 CE2 TYR A 83 8.175 4.290 -4.746 1.00 0.00 C ATOM 1203 CZ TYR A 83 8.499 5.625 -4.865 1.00 0.00 C ATOM 1204 OH TYR A 83 8.478 6.228 -6.101 1.00 0.00 O ATOM 0 H TYR A 83 8.130 5.848 0.361 1.00 0.00 H new ATOM 0 HA TYR A 83 6.431 3.764 -0.785 1.00 0.00 H new ATOM 0 HB2 TYR A 83 9.433 4.108 -0.449 1.00 0.00 H new ATOM 0 HB3 TYR A 83 8.699 2.672 -1.134 1.00 0.00 H new ATOM 0 HD1 TYR A 83 9.139 6.329 -1.639 1.00 0.00 H new ATOM 0 HD2 TYR A 83 7.943 2.644 -3.412 1.00 0.00 H new ATOM 0 HE1 TYR A 83 9.100 7.405 -3.846 1.00 0.00 H new ATOM 0 HE2 TYR A 83 7.905 3.717 -5.620 1.00 0.00 H new ATOM 0 HH TYR A 83 8.215 5.573 -6.780 1.00 0.00 H new ATOM 1214 N PHE A 84 6.929 1.831 0.844 1.00 0.00 N ATOM 1215 CA PHE A 84 6.879 0.862 1.932 1.00 0.00 C ATOM 1216 C PHE A 84 7.144 -0.550 1.416 1.00 0.00 C ATOM 1217 O PHE A 84 6.301 -1.145 0.745 1.00 0.00 O ATOM 1218 CB PHE A 84 5.518 0.915 2.629 1.00 0.00 C ATOM 1219 CG PHE A 84 5.055 2.311 2.934 1.00 0.00 C ATOM 1220 CD1 PHE A 84 4.335 3.036 1.998 1.00 0.00 C ATOM 1221 CD2 PHE A 84 5.340 2.899 4.155 1.00 0.00 C ATOM 1222 CE1 PHE A 84 3.908 4.321 2.275 1.00 0.00 C ATOM 1223 CE2 PHE A 84 4.916 4.184 4.439 1.00 0.00 C ATOM 1224 CZ PHE A 84 4.198 4.895 3.497 1.00 0.00 C ATOM 0 H PHE A 84 6.659 1.457 -0.066 1.00 0.00 H new ATOM 0 HA PHE A 84 7.657 1.120 2.650 1.00 0.00 H new ATOM 0 HB2 PHE A 84 4.776 0.424 1.999 1.00 0.00 H new ATOM 0 HB3 PHE A 84 5.572 0.348 3.558 1.00 0.00 H new ATOM 0 HD1 PHE A 84 4.105 2.592 1.041 1.00 0.00 H new ATOM 0 HD2 PHE A 84 5.901 2.347 4.895 1.00 0.00 H new ATOM 0 HE1 PHE A 84 3.348 4.876 1.537 1.00 0.00 H new ATOM 0 HE2 PHE A 84 5.146 4.631 5.395 1.00 0.00 H new ATOM 0 HZ PHE A 84 3.864 5.898 3.716 1.00 0.00 H new ATOM 1234 N SER A 85 8.321 -1.079 1.734 1.00 0.00 N ATOM 1235 CA SER A 85 8.699 -2.418 1.299 1.00 0.00 C ATOM 1236 C SER A 85 8.103 -3.478 2.221 1.00 0.00 C ATOM 1237 O SER A 85 8.637 -3.754 3.295 1.00 0.00 O ATOM 1238 CB SER A 85 10.223 -2.555 1.266 1.00 0.00 C ATOM 1239 OG SER A 85 10.616 -3.912 1.383 1.00 0.00 O ATOM 0 H SER A 85 9.029 -0.601 2.291 1.00 0.00 H new ATOM 0 HA SER A 85 8.305 -2.571 0.294 1.00 0.00 H new ATOM 0 HB2 SER A 85 10.608 -2.141 0.334 1.00 0.00 H new ATOM 0 HB3 SER A 85 10.661 -1.975 2.078 1.00 0.00 H new ATOM 0 HG SER A 85 11.594 -3.973 1.358 1.00 0.00 H new ATOM 1245 N VAL A 86 6.991 -4.067 1.793 1.00 0.00 N ATOM 1246 CA VAL A 86 6.320 -5.097 2.578 1.00 0.00 C ATOM 1247 C VAL A 86 6.745 -6.491 2.131 1.00 0.00 C ATOM 1248 O VAL A 86 7.017 -6.721 0.954 1.00 0.00 O ATOM 1249 CB VAL A 86 4.789 -4.978 2.468 1.00 0.00 C ATOM 1250 CG1 VAL A 86 4.110 -6.108 3.227 1.00 0.00 C ATOM 1251 CG2 VAL A 86 4.321 -3.624 2.980 1.00 0.00 C ATOM 0 H VAL A 86 6.536 -3.849 0.907 1.00 0.00 H new ATOM 0 HA VAL A 86 6.614 -4.946 3.617 1.00 0.00 H new ATOM 0 HB VAL A 86 4.510 -5.059 1.417 1.00 0.00 H new ATOM 0 HG11 VAL A 86 3.028 -6.008 3.138 1.00 0.00 H new ATOM 0 HG12 VAL A 86 4.421 -7.065 2.809 1.00 0.00 H new ATOM 0 HG13 VAL A 86 4.393 -6.062 4.278 1.00 0.00 H new ATOM 0 HG21 VAL A 86 3.236 -3.558 2.895 1.00 0.00 H new ATOM 0 HG22 VAL A 86 4.610 -3.510 4.025 1.00 0.00 H new ATOM 0 HG23 VAL A 86 4.781 -2.832 2.388 1.00 0.00 H new ATOM 1261 N ASN A 87 6.797 -7.420 3.081 1.00 0.00 N ATOM 1262 CA ASN A 87 7.189 -8.794 2.785 1.00 0.00 C ATOM 1263 C ASN A 87 6.431 -9.778 3.672 1.00 0.00 C ATOM 1264 O ASN A 87 6.728 -9.916 4.858 1.00 0.00 O ATOM 1265 CB ASN A 87 8.696 -8.970 2.980 1.00 0.00 C ATOM 1266 CG ASN A 87 9.278 -10.029 2.064 1.00 0.00 C ATOM 1267 OD1 ASN A 87 9.661 -9.741 0.930 1.00 0.00 O ATOM 1268 ND2 ASN A 87 9.345 -11.262 2.552 1.00 0.00 N ATOM 0 H ASN A 87 6.573 -7.247 4.061 1.00 0.00 H new ATOM 0 HA ASN A 87 6.938 -9.002 1.745 1.00 0.00 H new ATOM 0 HB2 ASN A 87 9.197 -8.019 2.796 1.00 0.00 H new ATOM 0 HB3 ASN A 87 8.896 -9.240 4.017 1.00 0.00 H new ATOM 0 HD21 ASN A 87 9.726 -12.016 1.981 1.00 0.00 H new ATOM 0 HD22 ASN A 87 9.016 -11.455 3.498 1.00 0.00 H new ATOM 1275 N VAL A 88 5.451 -10.459 3.087 1.00 0.00 N ATOM 1276 CA VAL A 88 4.652 -11.432 3.823 1.00 0.00 C ATOM 1277 C VAL A 88 5.130 -12.854 3.552 1.00 0.00 C ATOM 1278 O VAL A 88 5.082 -13.330 2.418 1.00 0.00 O ATOM 1279 CB VAL A 88 3.160 -11.325 3.456 1.00 0.00 C ATOM 1280 CG1 VAL A 88 2.331 -12.271 4.310 1.00 0.00 C ATOM 1281 CG2 VAL A 88 2.675 -9.891 3.610 1.00 0.00 C ATOM 0 H VAL A 88 5.191 -10.355 2.106 1.00 0.00 H new ATOM 0 HA VAL A 88 4.775 -11.206 4.882 1.00 0.00 H new ATOM 0 HB VAL A 88 3.039 -11.615 2.412 1.00 0.00 H new ATOM 0 HG11 VAL A 88 1.280 -12.181 4.036 1.00 0.00 H new ATOM 0 HG12 VAL A 88 2.663 -13.296 4.145 1.00 0.00 H new ATOM 0 HG13 VAL A 88 2.455 -12.015 5.362 1.00 0.00 H new ATOM 0 HG21 VAL A 88 1.619 -9.834 3.347 1.00 0.00 H new ATOM 0 HG22 VAL A 88 2.809 -9.571 4.643 1.00 0.00 H new ATOM 0 HG23 VAL A 88 3.249 -9.240 2.951 1.00 0.00 H new ATOM 1291 N SER A 89 5.592 -13.527 4.600 1.00 0.00 N ATOM 1292 CA SER A 89 6.083 -14.895 4.475 1.00 0.00 C ATOM 1293 C SER A 89 6.095 -15.594 5.831 1.00 0.00 C ATOM 1294 O SER A 89 6.408 -14.984 6.854 1.00 0.00 O ATOM 1295 CB SER A 89 7.489 -14.901 3.872 1.00 0.00 C ATOM 1296 OG SER A 89 7.802 -16.169 3.322 1.00 0.00 O ATOM 0 H SER A 89 5.637 -13.148 5.546 1.00 0.00 H new ATOM 0 HA SER A 89 5.409 -15.438 3.812 1.00 0.00 H new ATOM 0 HB2 SER A 89 7.559 -14.138 3.097 1.00 0.00 H new ATOM 0 HB3 SER A 89 8.219 -14.644 4.640 1.00 0.00 H new ATOM 0 HG SER A 89 8.705 -16.147 2.941 1.00 0.00 H new ATOM 1302 N ASP A 90 5.751 -16.877 5.831 1.00 0.00 N ATOM 1303 CA ASP A 90 5.723 -17.661 7.060 1.00 0.00 C ATOM 1304 C ASP A 90 7.103 -17.703 7.710 1.00 0.00 C ATOM 1305 O ASP A 90 7.223 -17.842 8.927 1.00 0.00 O ATOM 1306 CB ASP A 90 5.239 -19.083 6.772 1.00 0.00 C ATOM 1307 CG ASP A 90 5.817 -20.098 7.738 1.00 0.00 C ATOM 1308 OD1 ASP A 90 6.970 -20.530 7.526 1.00 0.00 O ATOM 1309 OD2 ASP A 90 5.117 -20.461 8.707 1.00 0.00 O ATOM 0 H ASP A 90 5.488 -17.396 4.994 1.00 0.00 H new ATOM 0 HA ASP A 90 5.030 -17.182 7.751 1.00 0.00 H new ATOM 0 HB2 ASP A 90 4.151 -19.112 6.828 1.00 0.00 H new ATOM 0 HB3 ASP A 90 5.513 -19.358 5.754 1.00 0.00 H new