USER MOD reduce.3.24.130724 H: found=0, std=0, add=635, rem=0, adj=13 USER MOD reduce.3.24.130724 removed 637 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 Single : A 13 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 21 SER OG : rot 180:sc= 0 USER MOD Single : A 23 THR OG1 : rot -140:sc= -1.91 USER MOD Single : A 27 ASN : amide:sc= -1.75 K(o=-1.8,f=-1.1) USER MOD Single : A 28 THR OG1 : rot 180:sc= -0.235 USER MOD Single : A 29 SER OG : rot 180:sc= 0 USER MOD Single : A 32 HIS : no HE2:sc= -0.605 K(o=-0.61,f=-3) USER MOD Single : A 36 TYR OH : rot 130:sc= -0.971 USER MOD Single : A 38 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 43 GLN : amide:sc= -0.0955 K(o=-0.096,f=-1.7!) USER MOD Single : A 48 SER OG : rot 180:sc= 0 USER MOD Single : A 53 HIS : no HD1:sc= -0.257 X(o=-0.26,f=-0.39) USER MOD Single : A 54 LYS NZ :NH3+ 148:sc=-0.000335 (180deg=-0.0435) USER MOD Single : A 62 ASN : amide:sc= -6.43! C(o=-6.4!,f=-9.9!) USER MOD Single : A 65 SER OG : rot 180:sc= 0.068 USER MOD Single : A 70 THR OG1 : rot -131:sc= -1.05 USER MOD Single : A 71 HIS : no HE2:sc= -6.88! C(o=-6.9!,f=-4.7!) USER MOD Single : A 72 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 73 GLN : amide:sc= -1.48 K(o=-1.5,f=-4.7!) USER MOD Single : A 77 THR OG1 : rot -4:sc= -2.44 USER MOD Single : A 80 ASN : amide:sc= -1.37 K(o=-1.4,f=-3.5!) USER MOD Single : A 81 THR OG1 : rot -90:sc= -0.688! USER MOD Single : A 83 GLN : amide:sc= -0.818 K(o=-0.82,f=-2.8!) USER MOD Single : A 86 HIS : no HD1:sc= -0.78 X(o=-0.78,f=-0.44) USER MOD Single : A 91 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD ----------------------------------------------------------------- ATOM 72 N ILE A 6 -11.440 -2.624 -5.967 1.00 15.00 N ATOM 73 CA ILE A 6 -9.991 -2.578 -5.972 1.00 15.00 C ATOM 74 C ILE A 6 -9.486 -1.351 -6.728 1.00 15.00 C ATOM 75 O ILE A 6 -10.090 -0.927 -7.713 1.00 15.00 O ATOM 76 CB ILE A 6 -9.428 -3.858 -6.625 1.00 15.00 C ATOM 77 CG1 ILE A 6 -9.035 -4.874 -5.554 1.00 15.00 C ATOM 78 CG2 ILE A 6 -8.236 -3.545 -7.525 1.00 15.00 C ATOM 79 CD1 ILE A 6 -10.171 -5.242 -4.624 1.00 15.00 C ATOM 0 HA ILE A 6 -9.648 -2.513 -4.939 1.00 15.00 H new ATOM 0 HB ILE A 6 -10.213 -4.288 -7.247 1.00 15.00 H new ATOM 0 HG12 ILE A 6 -8.667 -5.778 -6.040 1.00 15.00 H new ATOM 0 HG13 ILE A 6 -8.211 -4.470 -4.966 1.00 15.00 H new ATOM 0 HG21 ILE A 6 -7.863 -4.468 -7.969 1.00 15.00 H new ATOM 0 HG22 ILE A 6 -8.546 -2.861 -8.315 1.00 15.00 H new ATOM 0 HG23 ILE A 6 -7.446 -3.082 -6.934 1.00 15.00 H new ATOM 0 HD11 ILE A 6 -9.820 -5.967 -3.890 1.00 15.00 H new ATOM 0 HD12 ILE A 6 -10.525 -4.348 -4.111 1.00 15.00 H new ATOM 0 HD13 ILE A 6 -10.987 -5.676 -5.201 1.00 15.00 H new ATOM 91 N PHE A 7 -8.368 -0.801 -6.275 1.00 15.00 N ATOM 92 CA PHE A 7 -7.777 0.359 -6.927 1.00 15.00 C ATOM 93 C PHE A 7 -6.256 0.244 -6.949 1.00 15.00 C ATOM 94 O PHE A 7 -5.679 -0.583 -6.246 1.00 15.00 O ATOM 95 CB PHE A 7 -8.216 1.655 -6.234 1.00 15.00 C ATOM 96 CG PHE A 7 -7.442 1.982 -4.987 1.00 15.00 C ATOM 97 CD1 PHE A 7 -6.167 2.518 -5.069 1.00 15.00 C ATOM 98 CD2 PHE A 7 -7.992 1.757 -3.735 1.00 15.00 C ATOM 99 CE1 PHE A 7 -5.455 2.825 -3.926 1.00 15.00 C ATOM 100 CE2 PHE A 7 -7.283 2.061 -2.589 1.00 15.00 C ATOM 101 CZ PHE A 7 -6.013 2.596 -2.685 1.00 15.00 C ATOM 0 H PHE A 7 -7.853 -1.138 -5.461 1.00 15.00 H new ATOM 0 HA PHE A 7 -8.132 0.391 -7.957 1.00 15.00 H new ATOM 0 HB2 PHE A 7 -8.115 2.482 -6.937 1.00 15.00 H new ATOM 0 HB3 PHE A 7 -9.274 1.578 -5.982 1.00 15.00 H new ATOM 0 HD1 PHE A 7 -5.725 2.698 -6.038 1.00 15.00 H new ATOM 0 HD2 PHE A 7 -8.985 1.340 -3.654 1.00 15.00 H new ATOM 0 HE1 PHE A 7 -4.463 3.244 -4.004 1.00 15.00 H new ATOM 0 HE2 PHE A 7 -7.721 1.881 -1.619 1.00 15.00 H new ATOM 0 HZ PHE A 7 -5.458 2.835 -1.790 1.00 15.00 H new ATOM 111 N GLU A 8 -5.613 1.068 -7.769 1.00 15.00 N ATOM 112 CA GLU A 8 -4.160 1.044 -7.889 1.00 15.00 C ATOM 113 C GLU A 8 -3.564 2.441 -7.755 1.00 15.00 C ATOM 114 O GLU A 8 -4.138 3.427 -8.217 1.00 15.00 O ATOM 115 CB GLU A 8 -3.758 0.450 -9.235 1.00 15.00 C ATOM 116 CG GLU A 8 -4.475 1.085 -10.408 1.00 15.00 C ATOM 117 CD GLU A 8 -4.385 0.251 -11.671 1.00 15.00 C ATOM 118 OE1 GLU A 8 -4.428 -0.992 -11.566 1.00 15.00 O ATOM 119 OE2 GLU A 8 -4.272 0.842 -12.766 1.00 15.00 O ATOM 0 H GLU A 8 -6.074 1.760 -8.360 1.00 15.00 H new ATOM 0 HA GLU A 8 -3.771 0.427 -7.079 1.00 15.00 H new ATOM 0 HB2 GLU A 8 -2.683 0.567 -9.369 1.00 15.00 H new ATOM 0 HB3 GLU A 8 -3.964 -0.620 -9.228 1.00 15.00 H new ATOM 0 HG2 GLU A 8 -5.524 1.234 -10.150 1.00 15.00 H new ATOM 0 HG3 GLU A 8 -4.050 2.071 -10.598 1.00 15.00 H new ATOM 126 N VAL A 9 -2.396 2.501 -7.134 1.00 15.00 N ATOM 127 CA VAL A 9 -1.678 3.755 -6.941 1.00 15.00 C ATOM 128 C VAL A 9 -0.559 3.864 -7.967 1.00 15.00 C ATOM 129 O VAL A 9 0.383 3.074 -7.958 1.00 15.00 O ATOM 130 CB VAL A 9 -1.110 3.885 -5.497 1.00 15.00 C ATOM 131 CG1 VAL A 9 -1.333 2.604 -4.706 1.00 15.00 C ATOM 132 CG2 VAL A 9 0.372 4.248 -5.499 1.00 15.00 C ATOM 0 H VAL A 9 -1.919 1.685 -6.750 1.00 15.00 H new ATOM 0 HA VAL A 9 -2.384 4.574 -7.081 1.00 15.00 H new ATOM 0 HB VAL A 9 -1.653 4.697 -5.014 1.00 15.00 H new ATOM 0 HG11 VAL A 9 -0.927 2.721 -3.701 1.00 15.00 H new ATOM 0 HG12 VAL A 9 -2.401 2.396 -4.644 1.00 15.00 H new ATOM 0 HG13 VAL A 9 -0.831 1.776 -5.206 1.00 15.00 H new ATOM 0 HG21 VAL A 9 0.728 4.329 -4.472 1.00 15.00 H new ATOM 0 HG22 VAL A 9 0.936 3.473 -6.019 1.00 15.00 H new ATOM 0 HG23 VAL A 9 0.512 5.202 -6.008 1.00 15.00 H new ATOM 142 N GLU A 10 -0.681 4.831 -8.863 1.00 15.00 N ATOM 143 CA GLU A 10 0.311 5.022 -9.907 1.00 15.00 C ATOM 144 C GLU A 10 1.189 6.240 -9.642 1.00 15.00 C ATOM 145 O GLU A 10 1.094 7.252 -10.337 1.00 15.00 O ATOM 146 CB GLU A 10 -0.386 5.153 -11.255 1.00 15.00 C ATOM 147 CG GLU A 10 0.568 5.316 -12.427 1.00 15.00 C ATOM 148 CD GLU A 10 -0.115 5.872 -13.661 1.00 15.00 C ATOM 149 OE1 GLU A 10 -0.201 7.111 -13.784 1.00 15.00 O ATOM 150 OE2 GLU A 10 -0.564 5.067 -14.504 1.00 15.00 O ATOM 0 H GLU A 10 -1.456 5.494 -8.888 1.00 15.00 H new ATOM 0 HA GLU A 10 0.965 4.150 -9.916 1.00 15.00 H new ATOM 0 HB2 GLU A 10 -1.003 4.270 -11.421 1.00 15.00 H new ATOM 0 HB3 GLU A 10 -1.058 6.011 -11.224 1.00 15.00 H new ATOM 0 HG2 GLU A 10 1.383 5.979 -12.138 1.00 15.00 H new ATOM 0 HG3 GLU A 10 1.012 4.350 -12.666 1.00 15.00 H new ATOM 157 N LEU A 11 2.056 6.128 -8.644 1.00 15.00 N ATOM 158 CA LEU A 11 2.969 7.211 -8.301 1.00 15.00 C ATOM 159 C LEU A 11 4.251 7.087 -9.116 1.00 15.00 C ATOM 160 O LEU A 11 4.514 6.044 -9.708 1.00 15.00 O ATOM 161 CB LEU A 11 3.296 7.189 -6.806 1.00 15.00 C ATOM 162 CG LEU A 11 3.464 8.565 -6.154 1.00 15.00 C ATOM 163 CD1 LEU A 11 2.231 9.429 -6.381 1.00 15.00 C ATOM 164 CD2 LEU A 11 3.746 8.416 -4.666 1.00 15.00 C ATOM 0 H LEU A 11 2.146 5.298 -8.058 1.00 15.00 H new ATOM 0 HA LEU A 11 2.485 8.159 -8.535 1.00 15.00 H new ATOM 0 HB2 LEU A 11 2.503 6.652 -6.285 1.00 15.00 H new ATOM 0 HB3 LEU A 11 4.215 6.621 -6.660 1.00 15.00 H new ATOM 0 HG LEU A 11 4.315 9.062 -6.621 1.00 15.00 H new ATOM 0 HD11 LEU A 11 2.375 10.401 -5.908 1.00 15.00 H new ATOM 0 HD12 LEU A 11 2.074 9.566 -7.451 1.00 15.00 H new ATOM 0 HD13 LEU A 11 1.359 8.940 -5.946 1.00 15.00 H new ATOM 0 HD21 LEU A 11 3.863 9.402 -4.217 1.00 15.00 H new ATOM 0 HD22 LEU A 11 2.915 7.896 -4.189 1.00 15.00 H new ATOM 0 HD23 LEU A 11 4.662 7.842 -4.525 1.00 15.00 H new ATOM 176 N ALA A 12 5.045 8.149 -9.148 1.00 15.00 N ATOM 177 CA ALA A 12 6.294 8.133 -9.901 1.00 15.00 C ATOM 178 C ALA A 12 7.470 7.774 -9.002 1.00 15.00 C ATOM 179 O ALA A 12 8.068 8.641 -8.364 1.00 15.00 O ATOM 180 CB ALA A 12 6.530 9.475 -10.573 1.00 15.00 C ATOM 0 H ALA A 12 4.850 9.026 -8.666 1.00 15.00 H new ATOM 0 HA ALA A 12 6.211 7.368 -10.673 1.00 15.00 H new ATOM 0 HB1 ALA A 12 7.466 9.443 -11.130 1.00 15.00 H new ATOM 0 HB2 ALA A 12 5.708 9.689 -11.257 1.00 15.00 H new ATOM 0 HB3 ALA A 12 6.585 10.257 -9.815 1.00 15.00 H new ATOM 186 N LYS A 13 7.797 6.487 -8.960 1.00 15.00 N ATOM 187 CA LYS A 13 8.902 6.000 -8.144 1.00 15.00 C ATOM 188 C LYS A 13 10.193 6.747 -8.468 1.00 15.00 C ATOM 189 O LYS A 13 11.052 6.930 -7.606 1.00 15.00 O ATOM 190 CB LYS A 13 9.090 4.497 -8.366 1.00 15.00 C ATOM 191 CG LYS A 13 9.569 3.752 -7.132 1.00 15.00 C ATOM 192 CD LYS A 13 10.937 4.233 -6.679 1.00 15.00 C ATOM 193 CE LYS A 13 10.843 5.047 -5.398 1.00 15.00 C ATOM 194 NZ LYS A 13 12.095 4.969 -4.594 1.00 15.00 N ATOM 0 H LYS A 13 7.310 5.760 -9.484 1.00 15.00 H new ATOM 0 HA LYS A 13 8.662 6.181 -7.096 1.00 15.00 H new ATOM 0 HB2 LYS A 13 8.144 4.066 -8.695 1.00 15.00 H new ATOM 0 HB3 LYS A 13 9.807 4.345 -9.172 1.00 15.00 H new ATOM 0 HG2 LYS A 13 8.850 3.887 -6.324 1.00 15.00 H new ATOM 0 HG3 LYS A 13 9.611 2.684 -7.346 1.00 15.00 H new ATOM 0 HD2 LYS A 13 11.591 3.376 -6.520 1.00 15.00 H new ATOM 0 HD3 LYS A 13 11.390 4.838 -7.464 1.00 15.00 H new ATOM 0 HE2 LYS A 13 10.635 6.088 -5.645 1.00 15.00 H new ATOM 0 HE3 LYS A 13 10.005 4.687 -4.800 1.00 15.00 H new ATOM 0 HZ1 LYS A 13 11.989 5.538 -3.730 1.00 15.00 H new ATOM 0 HZ2 LYS A 13 12.281 3.979 -4.336 1.00 15.00 H new ATOM 0 HZ3 LYS A 13 12.891 5.336 -5.154 1.00 15.00 H new ATOM 259 N LEU A 18 8.544 7.178 -1.623 1.00 15.00 N ATOM 260 CA LEU A 18 7.286 7.312 -0.901 1.00 15.00 C ATOM 261 C LEU A 18 7.521 7.888 0.492 1.00 15.00 C ATOM 262 O LEU A 18 8.629 8.312 0.822 1.00 15.00 O ATOM 263 CB LEU A 18 6.569 5.959 -0.803 1.00 15.00 C ATOM 264 CG LEU A 18 6.175 5.339 -2.144 1.00 15.00 C ATOM 265 CD1 LEU A 18 7.277 4.424 -2.656 1.00 15.00 C ATOM 266 CD2 LEU A 18 4.865 4.575 -2.013 1.00 15.00 C ATOM 0 HA LEU A 18 6.650 8.001 -1.457 1.00 15.00 H new ATOM 0 HB2 LEU A 18 7.215 5.260 -0.272 1.00 15.00 H new ATOM 0 HB3 LEU A 18 5.670 6.084 -0.199 1.00 15.00 H new ATOM 0 HG LEU A 18 6.035 6.143 -2.866 1.00 15.00 H new ATOM 0 HD11 LEU A 18 6.977 3.993 -3.611 1.00 15.00 H new ATOM 0 HD12 LEU A 18 8.194 4.998 -2.789 1.00 15.00 H new ATOM 0 HD13 LEU A 18 7.450 3.625 -1.935 1.00 15.00 H new ATOM 0 HD21 LEU A 18 4.599 4.140 -2.977 1.00 15.00 H new ATOM 0 HD22 LEU A 18 4.979 3.780 -1.276 1.00 15.00 H new ATOM 0 HD23 LEU A 18 4.077 5.256 -1.693 1.00 15.00 H new ATOM 278 N GLY A 19 6.470 7.904 1.301 1.00 15.00 N ATOM 279 CA GLY A 19 6.568 8.432 2.647 1.00 15.00 C ATOM 280 C GLY A 19 5.439 7.952 3.524 1.00 15.00 C ATOM 281 O GLY A 19 4.828 8.735 4.244 1.00 15.00 O ATOM 0 H GLY A 19 5.545 7.558 1.046 1.00 15.00 H new ATOM 0 HA2 GLY A 19 7.520 8.133 3.085 1.00 15.00 H new ATOM 0 HA3 GLY A 19 6.561 9.521 2.611 1.00 15.00 H new ATOM 285 N ILE A 20 5.151 6.662 3.445 1.00 15.00 N ATOM 286 CA ILE A 20 4.080 6.069 4.228 1.00 15.00 C ATOM 287 C ILE A 20 4.616 5.101 5.278 1.00 15.00 C ATOM 288 O ILE A 20 5.518 4.308 5.007 1.00 15.00 O ATOM 289 CB ILE A 20 3.072 5.339 3.311 1.00 15.00 C ATOM 290 CG1 ILE A 20 1.660 5.842 3.589 1.00 15.00 C ATOM 291 CG2 ILE A 20 3.144 3.836 3.510 1.00 15.00 C ATOM 292 CD1 ILE A 20 0.575 4.832 3.300 1.00 15.00 C ATOM 0 H ILE A 20 5.647 6.004 2.844 1.00 15.00 H new ATOM 0 HA ILE A 20 3.572 6.883 4.745 1.00 15.00 H new ATOM 0 HB ILE A 20 3.331 5.554 2.274 1.00 15.00 H new ATOM 0 HG12 ILE A 20 1.593 6.142 4.635 1.00 15.00 H new ATOM 0 HG13 ILE A 20 1.479 6.734 2.989 1.00 15.00 H new ATOM 0 HG21 ILE A 20 2.425 3.347 2.853 1.00 15.00 H new ATOM 0 HG22 ILE A 20 4.149 3.485 3.273 1.00 15.00 H new ATOM 0 HG23 ILE A 20 2.911 3.595 4.547 1.00 15.00 H new ATOM 0 HD11 ILE A 20 -0.398 5.269 3.524 1.00 15.00 H new ATOM 0 HD12 ILE A 20 0.612 4.549 2.248 1.00 15.00 H new ATOM 0 HD13 ILE A 20 0.727 3.948 3.919 1.00 15.00 H new ATOM 304 N SER A 21 4.021 5.143 6.462 1.00 15.00 N ATOM 305 CA SER A 21 4.399 4.240 7.537 1.00 15.00 C ATOM 306 C SER A 21 3.456 3.043 7.503 1.00 15.00 C ATOM 307 O SER A 21 2.288 3.154 7.874 1.00 15.00 O ATOM 308 CB SER A 21 4.331 4.954 8.891 1.00 15.00 C ATOM 309 OG SER A 21 4.667 4.075 9.950 1.00 15.00 O ATOM 0 H SER A 21 3.273 5.794 6.701 1.00 15.00 H new ATOM 0 HA SER A 21 5.427 3.904 7.401 1.00 15.00 H new ATOM 0 HB2 SER A 21 5.012 5.805 8.891 1.00 15.00 H new ATOM 0 HB3 SER A 21 3.327 5.349 9.047 1.00 15.00 H new ATOM 0 HG SER A 21 4.617 4.556 10.802 1.00 15.00 H new ATOM 315 N VAL A 22 3.949 1.915 7.002 1.00 15.00 N ATOM 316 CA VAL A 22 3.118 0.724 6.861 1.00 15.00 C ATOM 317 C VAL A 22 3.217 -0.219 8.053 1.00 15.00 C ATOM 318 O VAL A 22 4.222 -0.254 8.763 1.00 15.00 O ATOM 319 CB VAL A 22 3.479 -0.049 5.575 1.00 15.00 C ATOM 320 CG1 VAL A 22 3.460 0.881 4.374 1.00 15.00 C ATOM 321 CG2 VAL A 22 4.840 -0.719 5.700 1.00 15.00 C ATOM 0 H VAL A 22 4.913 1.800 6.689 1.00 15.00 H new ATOM 0 HA VAL A 22 2.090 1.083 6.807 1.00 15.00 H new ATOM 0 HB VAL A 22 2.730 -0.827 5.431 1.00 15.00 H new ATOM 0 HG11 VAL A 22 3.717 0.320 3.475 1.00 15.00 H new ATOM 0 HG12 VAL A 22 2.464 1.310 4.262 1.00 15.00 H new ATOM 0 HG13 VAL A 22 4.185 1.681 4.522 1.00 15.00 H new ATOM 0 HG21 VAL A 22 5.067 -1.256 4.779 1.00 15.00 H new ATOM 0 HG22 VAL A 22 5.604 0.039 5.876 1.00 15.00 H new ATOM 0 HG23 VAL A 22 4.825 -1.420 6.534 1.00 15.00 H new ATOM 331 N THR A 23 2.150 -0.988 8.251 1.00 15.00 N ATOM 332 CA THR A 23 2.076 -1.952 9.338 1.00 15.00 C ATOM 333 C THR A 23 1.206 -3.144 8.935 1.00 15.00 C ATOM 334 O THR A 23 0.683 -3.194 7.818 1.00 15.00 O ATOM 335 CB THR A 23 1.510 -1.286 10.595 1.00 15.00 C ATOM 336 OG1 THR A 23 1.478 0.122 10.446 1.00 15.00 O ATOM 337 CG2 THR A 23 2.303 -1.594 11.844 1.00 15.00 C ATOM 0 H THR A 23 1.317 -0.959 7.663 1.00 15.00 H new ATOM 0 HA THR A 23 3.082 -2.313 9.553 1.00 15.00 H new ATOM 0 HB THR A 23 0.506 -1.695 10.710 1.00 15.00 H new ATOM 0 HG1 THR A 23 1.743 0.546 11.289 1.00 15.00 H new ATOM 0 HG21 THR A 23 1.848 -1.091 12.697 1.00 15.00 H new ATOM 0 HG22 THR A 23 2.306 -2.670 12.017 1.00 15.00 H new ATOM 0 HG23 THR A 23 3.328 -1.243 11.720 1.00 15.00 H new ATOM 345 N GLY A 24 1.050 -4.099 9.846 1.00 15.00 N ATOM 346 CA GLY A 24 0.239 -5.269 9.558 1.00 15.00 C ATOM 347 C GLY A 24 0.950 -6.263 8.665 1.00 15.00 C ATOM 348 O GLY A 24 2.030 -6.747 9.001 1.00 15.00 O ATOM 0 H GLY A 24 1.469 -4.085 10.776 1.00 15.00 H new ATOM 0 HA2 GLY A 24 -0.034 -5.757 10.494 1.00 15.00 H new ATOM 0 HA3 GLY A 24 -0.689 -4.955 9.080 1.00 15.00 H new ATOM 352 N GLY A 25 0.345 -6.561 7.520 1.00 15.00 N ATOM 353 CA GLY A 25 0.944 -7.493 6.583 1.00 15.00 C ATOM 354 C GLY A 25 0.979 -8.920 7.093 1.00 15.00 C ATOM 355 O GLY A 25 0.323 -9.798 6.534 1.00 15.00 O ATOM 0 H GLY A 25 -0.551 -6.173 7.224 1.00 15.00 H new ATOM 0 HA2 GLY A 25 0.387 -7.463 5.646 1.00 15.00 H new ATOM 0 HA3 GLY A 25 1.961 -7.170 6.360 1.00 15.00 H new ATOM 359 N VAL A 26 1.765 -9.150 8.147 1.00 15.00 N ATOM 360 CA VAL A 26 1.919 -10.481 8.746 1.00 15.00 C ATOM 361 C VAL A 26 0.680 -11.352 8.554 1.00 15.00 C ATOM 362 O VAL A 26 -0.450 -10.881 8.679 1.00 15.00 O ATOM 363 CB VAL A 26 2.226 -10.385 10.251 1.00 15.00 C ATOM 364 CG1 VAL A 26 3.706 -10.122 10.481 1.00 15.00 C ATOM 365 CG2 VAL A 26 1.378 -9.302 10.896 1.00 15.00 C ATOM 0 H VAL A 26 2.311 -8.423 8.609 1.00 15.00 H new ATOM 0 HA VAL A 26 2.757 -10.947 8.227 1.00 15.00 H new ATOM 0 HB VAL A 26 1.976 -11.338 10.717 1.00 15.00 H new ATOM 0 HG11 VAL A 26 3.902 -10.058 11.551 1.00 15.00 H new ATOM 0 HG12 VAL A 26 4.291 -10.936 10.053 1.00 15.00 H new ATOM 0 HG13 VAL A 26 3.987 -9.183 10.003 1.00 15.00 H new ATOM 0 HG21 VAL A 26 1.607 -9.246 11.960 1.00 15.00 H new ATOM 0 HG22 VAL A 26 1.596 -8.342 10.427 1.00 15.00 H new ATOM 0 HG23 VAL A 26 0.322 -9.539 10.764 1.00 15.00 H new ATOM 375 N ASN A 27 0.906 -12.625 8.246 1.00 15.00 N ATOM 376 CA ASN A 27 -0.185 -13.568 8.031 1.00 15.00 C ATOM 377 C ASN A 27 -0.806 -14.000 9.358 1.00 15.00 C ATOM 378 O ASN A 27 -0.810 -15.184 9.696 1.00 15.00 O ATOM 379 CB ASN A 27 0.322 -14.794 7.269 1.00 15.00 C ATOM 380 CG ASN A 27 1.123 -14.419 6.037 1.00 15.00 C ATOM 381 OD1 ASN A 27 0.578 -14.305 4.940 1.00 15.00 O ATOM 382 ND2 ASN A 27 2.425 -14.226 6.214 1.00 15.00 N ATOM 0 H ASN A 27 1.837 -13.028 8.140 1.00 15.00 H new ATOM 0 HA ASN A 27 -0.953 -13.069 7.440 1.00 15.00 H new ATOM 0 HB2 ASN A 27 0.941 -15.399 7.931 1.00 15.00 H new ATOM 0 HB3 ASN A 27 -0.526 -15.411 6.973 1.00 15.00 H new ATOM 0 HD21 ASN A 27 3.015 -13.972 5.422 1.00 15.00 H new ATOM 0 HD22 ASN A 27 2.835 -14.331 7.142 1.00 15.00 H new ATOM 389 N THR A 28 -1.330 -13.034 10.106 1.00 15.00 N ATOM 390 CA THR A 28 -1.952 -13.320 11.394 1.00 15.00 C ATOM 391 C THR A 28 -3.031 -12.292 11.719 1.00 15.00 C ATOM 392 O THR A 28 -4.183 -12.645 11.972 1.00 15.00 O ATOM 393 CB THR A 28 -0.896 -13.337 12.501 1.00 15.00 C ATOM 394 OG1 THR A 28 0.394 -13.560 11.960 1.00 15.00 O ATOM 395 CG2 THR A 28 -1.145 -14.401 13.549 1.00 15.00 C ATOM 0 H THR A 28 -1.336 -12.048 9.843 1.00 15.00 H new ATOM 0 HA THR A 28 -2.420 -14.302 11.333 1.00 15.00 H new ATOM 0 HB THR A 28 -0.961 -12.359 12.977 1.00 15.00 H new ATOM 0 HG1 THR A 28 1.055 -13.566 12.683 1.00 15.00 H new ATOM 0 HG21 THR A 28 -0.360 -14.359 14.304 1.00 15.00 H new ATOM 0 HG22 THR A 28 -2.112 -14.228 14.021 1.00 15.00 H new ATOM 0 HG23 THR A 28 -1.142 -15.384 13.078 1.00 15.00 H new ATOM 403 N SER A 29 -2.649 -11.020 11.713 1.00 15.00 N ATOM 404 CA SER A 29 -3.582 -9.939 12.009 1.00 15.00 C ATOM 405 C SER A 29 -4.470 -9.638 10.806 1.00 15.00 C ATOM 406 O SER A 29 -5.685 -9.496 10.939 1.00 15.00 O ATOM 407 CB SER A 29 -2.820 -8.679 12.423 1.00 15.00 C ATOM 408 OG SER A 29 -2.647 -8.625 13.828 1.00 15.00 O ATOM 0 H SER A 29 -1.699 -10.712 11.506 1.00 15.00 H new ATOM 0 HA SER A 29 -4.218 -10.259 12.834 1.00 15.00 H new ATOM 0 HB2 SER A 29 -1.847 -8.662 11.933 1.00 15.00 H new ATOM 0 HB3 SER A 29 -3.362 -7.795 12.086 1.00 15.00 H new ATOM 0 HG SER A 29 -2.156 -7.811 14.066 1.00 15.00 H new ATOM 414 N VAL A 30 -3.855 -9.540 9.631 1.00 15.00 N ATOM 415 CA VAL A 30 -4.591 -9.255 8.406 1.00 15.00 C ATOM 416 C VAL A 30 -5.433 -10.453 7.977 1.00 15.00 C ATOM 417 O VAL A 30 -5.526 -11.448 8.696 1.00 15.00 O ATOM 418 CB VAL A 30 -3.639 -8.864 7.257 1.00 15.00 C ATOM 419 CG1 VAL A 30 -2.789 -7.667 7.653 1.00 15.00 C ATOM 420 CG2 VAL A 30 -2.761 -10.042 6.861 1.00 15.00 C ATOM 0 H VAL A 30 -2.850 -9.654 9.502 1.00 15.00 H new ATOM 0 HA VAL A 30 -5.251 -8.414 8.620 1.00 15.00 H new ATOM 0 HB VAL A 30 -4.241 -8.585 6.392 1.00 15.00 H new ATOM 0 HG11 VAL A 30 -2.123 -7.405 6.830 1.00 15.00 H new ATOM 0 HG12 VAL A 30 -3.437 -6.820 7.880 1.00 15.00 H new ATOM 0 HG13 VAL A 30 -2.197 -7.917 8.533 1.00 15.00 H new ATOM 0 HG21 VAL A 30 -2.097 -9.744 6.049 1.00 15.00 H new ATOM 0 HG22 VAL A 30 -2.167 -10.357 7.719 1.00 15.00 H new ATOM 0 HG23 VAL A 30 -3.389 -10.869 6.531 1.00 15.00 H new ATOM 430 N ARG A 31 -6.046 -10.351 6.802 1.00 15.00 N ATOM 431 CA ARG A 31 -6.881 -11.426 6.278 1.00 15.00 C ATOM 432 C ARG A 31 -6.094 -12.728 6.168 1.00 15.00 C ATOM 433 O ARG A 31 -6.503 -13.758 6.705 1.00 15.00 O ATOM 434 CB ARG A 31 -7.446 -11.040 4.909 1.00 15.00 C ATOM 435 CG ARG A 31 -8.729 -10.229 4.988 1.00 15.00 C ATOM 436 CD ARG A 31 -9.593 -10.432 3.753 1.00 15.00 C ATOM 437 NE ARG A 31 -10.520 -11.550 3.911 1.00 15.00 N ATOM 438 CZ ARG A 31 -11.529 -11.558 4.779 1.00 15.00 C ATOM 439 NH1 ARG A 31 -11.743 -10.513 5.568 1.00 15.00 N ATOM 440 NH2 ARG A 31 -12.326 -12.615 4.859 1.00 15.00 N ATOM 0 H ARG A 31 -5.980 -9.534 6.194 1.00 15.00 H new ATOM 0 HA ARG A 31 -7.705 -11.581 6.974 1.00 15.00 H new ATOM 0 HB2 ARG A 31 -6.696 -10.466 4.364 1.00 15.00 H new ATOM 0 HB3 ARG A 31 -7.634 -11.947 4.334 1.00 15.00 H new ATOM 0 HG2 ARG A 31 -9.289 -10.518 5.877 1.00 15.00 H new ATOM 0 HG3 ARG A 31 -8.486 -9.172 5.094 1.00 15.00 H new ATOM 0 HD2 ARG A 31 -10.155 -9.521 3.550 1.00 15.00 H new ATOM 0 HD3 ARG A 31 -8.953 -10.611 2.889 1.00 15.00 H new ATOM 0 HE ARG A 31 -10.386 -12.372 3.322 1.00 15.00 H new ATOM 0 HH11 ARG A 31 -11.133 -9.698 5.511 1.00 15.00 H new ATOM 0 HH12 ARG A 31 -12.518 -10.525 6.231 1.00 15.00 H new ATOM 0 HH21 ARG A 31 -12.166 -13.421 4.255 1.00 15.00 H new ATOM 0 HH22 ARG A 31 -13.099 -12.621 5.524 1.00 15.00 H new ATOM 454 N HIS A 32 -4.965 -12.678 5.468 1.00 15.00 N ATOM 455 CA HIS A 32 -4.126 -13.858 5.289 1.00 15.00 C ATOM 456 C HIS A 32 -2.662 -13.470 5.100 1.00 15.00 C ATOM 457 O HIS A 32 -1.770 -14.075 5.690 1.00 15.00 O ATOM 458 CB HIS A 32 -4.608 -14.675 4.089 1.00 15.00 C ATOM 459 CG HIS A 32 -4.497 -13.946 2.786 1.00 15.00 C ATOM 460 ND1 HIS A 32 -5.333 -12.908 2.431 1.00 15.00 N ATOM 461 CD2 HIS A 32 -3.641 -14.108 1.749 1.00 15.00 C ATOM 462 CE1 HIS A 32 -4.997 -12.465 1.233 1.00 15.00 C ATOM 463 NE2 HIS A 32 -3.973 -13.175 0.797 1.00 15.00 N ATOM 0 H HIS A 32 -4.611 -11.835 5.016 1.00 15.00 H new ATOM 0 HA HIS A 32 -4.205 -14.465 6.191 1.00 15.00 H new ATOM 0 HB2 HIS A 32 -4.029 -15.597 4.031 1.00 15.00 H new ATOM 0 HB3 HIS A 32 -5.648 -14.961 4.249 1.00 15.00 H new ATOM 0 HD1 HIS A 32 -6.092 -12.540 3.004 1.00 15.00 H new ATOM 0 HD2 HIS A 32 -2.845 -14.835 1.683 1.00 15.00 H new ATOM 0 HE1 HIS A 32 -5.479 -11.658 0.700 1.00 15.00 H new ATOM 472 N GLY A 33 -2.423 -12.460 4.269 1.00 15.00 N ATOM 473 CA GLY A 33 -1.064 -12.011 4.014 1.00 15.00 C ATOM 474 C GLY A 33 -1.016 -10.703 3.246 1.00 15.00 C ATOM 475 O GLY A 33 -0.015 -10.392 2.601 1.00 15.00 O ATOM 0 H GLY A 33 -3.146 -11.944 3.767 1.00 15.00 H new ATOM 0 HA2 GLY A 33 -0.541 -11.890 4.963 1.00 15.00 H new ATOM 0 HA3 GLY A 33 -0.531 -12.778 3.452 1.00 15.00 H new ATOM 479 N GLY A 34 -2.090 -9.922 3.333 1.00 15.00 N ATOM 480 CA GLY A 34 -2.130 -8.641 2.658 1.00 15.00 C ATOM 481 C GLY A 34 -1.689 -7.540 3.591 1.00 15.00 C ATOM 482 O GLY A 34 -1.807 -7.685 4.808 1.00 15.00 O ATOM 0 H GLY A 34 -2.932 -10.156 3.859 1.00 15.00 H new ATOM 0 HA2 GLY A 34 -1.483 -8.664 1.781 1.00 15.00 H new ATOM 0 HA3 GLY A 34 -3.141 -8.442 2.302 1.00 15.00 H new ATOM 486 N ILE A 35 -1.166 -6.446 3.053 1.00 15.00 N ATOM 487 CA ILE A 35 -0.709 -5.368 3.917 1.00 15.00 C ATOM 488 C ILE A 35 -1.750 -4.274 4.076 1.00 15.00 C ATOM 489 O ILE A 35 -2.589 -4.051 3.204 1.00 15.00 O ATOM 490 CB ILE A 35 0.630 -4.758 3.441 1.00 15.00 C ATOM 491 CG1 ILE A 35 1.610 -4.720 4.618 1.00 15.00 C ATOM 492 CG2 ILE A 35 0.434 -3.366 2.844 1.00 15.00 C ATOM 493 CD1 ILE A 35 2.775 -3.769 4.439 1.00 15.00 C ATOM 0 H ILE A 35 -1.050 -6.284 2.053 1.00 15.00 H new ATOM 0 HA ILE A 35 -0.545 -5.826 4.892 1.00 15.00 H new ATOM 0 HB ILE A 35 1.040 -5.384 2.649 1.00 15.00 H new ATOM 0 HG12 ILE A 35 1.064 -4.439 5.519 1.00 15.00 H new ATOM 0 HG13 ILE A 35 2.000 -5.725 4.781 1.00 15.00 H new ATOM 0 HG21 ILE A 35 1.397 -2.970 2.521 1.00 15.00 H new ATOM 0 HG22 ILE A 35 -0.238 -3.428 1.988 1.00 15.00 H new ATOM 0 HG23 ILE A 35 0.004 -2.705 3.596 1.00 15.00 H new ATOM 0 HD11 ILE A 35 3.415 -3.808 5.320 1.00 15.00 H new ATOM 0 HD12 ILE A 35 3.350 -4.059 3.559 1.00 15.00 H new ATOM 0 HD13 ILE A 35 2.399 -2.754 4.308 1.00 15.00 H new ATOM 505 N TYR A 36 -1.664 -3.592 5.204 1.00 15.00 N ATOM 506 CA TYR A 36 -2.565 -2.499 5.523 1.00 15.00 C ATOM 507 C TYR A 36 -1.765 -1.339 6.089 1.00 15.00 C ATOM 508 O TYR A 36 -1.271 -1.402 7.215 1.00 15.00 O ATOM 509 CB TYR A 36 -3.624 -2.957 6.525 1.00 15.00 C ATOM 510 CG TYR A 36 -4.593 -3.967 5.955 1.00 15.00 C ATOM 511 CD1 TYR A 36 -4.196 -5.274 5.694 1.00 15.00 C ATOM 512 CD2 TYR A 36 -5.907 -3.613 5.677 1.00 15.00 C ATOM 513 CE1 TYR A 36 -5.081 -6.197 5.173 1.00 15.00 C ATOM 514 CE2 TYR A 36 -6.797 -4.531 5.156 1.00 15.00 C ATOM 515 CZ TYR A 36 -6.380 -5.822 4.905 1.00 15.00 C ATOM 516 OH TYR A 36 -7.265 -6.739 4.386 1.00 15.00 O ATOM 0 H TYR A 36 -0.967 -3.780 5.925 1.00 15.00 H new ATOM 0 HA TYR A 36 -3.075 -2.175 4.616 1.00 15.00 H new ATOM 0 HB2 TYR A 36 -3.128 -3.390 7.394 1.00 15.00 H new ATOM 0 HB3 TYR A 36 -4.181 -2.088 6.876 1.00 15.00 H new ATOM 0 HD1 TYR A 36 -3.179 -5.572 5.902 1.00 15.00 H new ATOM 0 HD2 TYR A 36 -6.238 -2.603 5.871 1.00 15.00 H new ATOM 0 HE1 TYR A 36 -4.757 -7.208 4.976 1.00 15.00 H new ATOM 0 HE2 TYR A 36 -7.816 -4.240 4.946 1.00 15.00 H new ATOM 0 HH TYR A 36 -8.090 -6.732 4.914 1.00 15.00 H new ATOM 526 N VAL A 37 -1.613 -0.290 5.293 1.00 15.00 N ATOM 527 CA VAL A 37 -0.838 0.869 5.717 1.00 15.00 C ATOM 528 C VAL A 37 -1.352 1.427 7.038 1.00 15.00 C ATOM 529 O VAL A 37 -2.541 1.356 7.338 1.00 15.00 O ATOM 530 CB VAL A 37 -0.802 2.000 4.643 1.00 15.00 C ATOM 531 CG1 VAL A 37 -1.028 1.460 3.243 1.00 15.00 C ATOM 532 CG2 VAL A 37 -1.794 3.115 4.929 1.00 15.00 C ATOM 0 H VAL A 37 -2.012 -0.217 4.357 1.00 15.00 H new ATOM 0 HA VAL A 37 0.183 0.512 5.852 1.00 15.00 H new ATOM 0 HB VAL A 37 0.201 2.422 4.699 1.00 15.00 H new ATOM 0 HG11 VAL A 37 -0.995 2.281 2.527 1.00 15.00 H new ATOM 0 HG12 VAL A 37 -0.249 0.737 3.002 1.00 15.00 H new ATOM 0 HG13 VAL A 37 -2.002 0.974 3.193 1.00 15.00 H new ATOM 0 HG21 VAL A 37 -1.724 3.873 4.149 1.00 15.00 H new ATOM 0 HG22 VAL A 37 -2.804 2.707 4.949 1.00 15.00 H new ATOM 0 HG23 VAL A 37 -1.566 3.566 5.895 1.00 15.00 H new ATOM 542 N LYS A 38 -0.447 2.002 7.813 1.00 15.00 N ATOM 543 CA LYS A 38 -0.812 2.597 9.085 1.00 15.00 C ATOM 544 C LYS A 38 -1.404 3.976 8.825 1.00 15.00 C ATOM 545 O LYS A 38 -2.491 4.297 9.303 1.00 15.00 O ATOM 546 CB LYS A 38 0.410 2.657 10.020 1.00 15.00 C ATOM 547 CG LYS A 38 0.892 4.059 10.382 1.00 15.00 C ATOM 548 CD LYS A 38 1.391 4.114 11.816 1.00 15.00 C ATOM 549 CE LYS A 38 0.450 4.913 12.703 1.00 15.00 C ATOM 550 NZ LYS A 38 0.465 4.425 14.110 1.00 15.00 N ATOM 0 H LYS A 38 0.544 2.069 7.583 1.00 15.00 H new ATOM 0 HA LYS A 38 -1.562 1.987 9.588 1.00 15.00 H new ATOM 0 HB2 LYS A 38 0.168 2.126 10.941 1.00 15.00 H new ATOM 0 HB3 LYS A 38 1.233 2.119 9.549 1.00 15.00 H new ATOM 0 HG2 LYS A 38 1.691 4.358 9.704 1.00 15.00 H new ATOM 0 HG3 LYS A 38 0.078 4.772 10.250 1.00 15.00 H new ATOM 0 HD2 LYS A 38 1.489 3.101 12.207 1.00 15.00 H new ATOM 0 HD3 LYS A 38 2.384 4.563 11.840 1.00 15.00 H new ATOM 0 HE2 LYS A 38 0.735 5.965 12.680 1.00 15.00 H new ATOM 0 HE3 LYS A 38 -0.564 4.849 12.307 1.00 15.00 H new ATOM 0 HZ1 LYS A 38 -0.190 4.996 14.682 1.00 15.00 H new ATOM 0 HZ2 LYS A 38 0.168 3.429 14.135 1.00 15.00 H new ATOM 0 HZ3 LYS A 38 1.427 4.510 14.497 1.00 15.00 H new ATOM 564 N ALA A 39 -0.683 4.776 8.043 1.00 15.00 N ATOM 565 CA ALA A 39 -1.133 6.110 7.684 1.00 15.00 C ATOM 566 C ALA A 39 -0.206 6.710 6.639 1.00 15.00 C ATOM 567 O ALA A 39 0.837 6.137 6.337 1.00 15.00 O ATOM 568 CB ALA A 39 -1.214 6.999 8.913 1.00 15.00 C ATOM 0 H ALA A 39 0.220 4.517 7.646 1.00 15.00 H new ATOM 0 HA ALA A 39 -2.134 6.039 7.258 1.00 15.00 H new ATOM 0 HB1 ALA A 39 -1.553 7.993 8.621 1.00 15.00 H new ATOM 0 HB2 ALA A 39 -1.918 6.570 9.626 1.00 15.00 H new ATOM 0 HB3 ALA A 39 -0.229 7.072 9.375 1.00 15.00 H new ATOM 574 N VAL A 40 -0.569 7.873 6.112 1.00 15.00 N ATOM 575 CA VAL A 40 0.265 8.547 5.119 1.00 15.00 C ATOM 576 C VAL A 40 1.124 9.591 5.820 1.00 15.00 C ATOM 577 O VAL A 40 0.611 10.558 6.381 1.00 15.00 O ATOM 578 CB VAL A 40 -0.566 9.225 4.001 1.00 15.00 C ATOM 579 CG1 VAL A 40 -0.426 8.463 2.691 1.00 15.00 C ATOM 580 CG2 VAL A 40 -2.030 9.339 4.396 1.00 15.00 C ATOM 0 H VAL A 40 -1.428 8.368 6.352 1.00 15.00 H new ATOM 0 HA VAL A 40 0.886 7.790 4.641 1.00 15.00 H new ATOM 0 HB VAL A 40 -0.176 10.233 3.860 1.00 15.00 H new ATOM 0 HG11 VAL A 40 -1.017 8.955 1.919 1.00 15.00 H new ATOM 0 HG12 VAL A 40 0.622 8.446 2.390 1.00 15.00 H new ATOM 0 HG13 VAL A 40 -0.782 7.441 2.824 1.00 15.00 H new ATOM 0 HG21 VAL A 40 -2.588 9.819 3.592 1.00 15.00 H new ATOM 0 HG22 VAL A 40 -2.437 8.344 4.576 1.00 15.00 H new ATOM 0 HG23 VAL A 40 -2.117 9.936 5.304 1.00 15.00 H new ATOM 590 N ILE A 41 2.431 9.355 5.835 1.00 15.00 N ATOM 591 CA ILE A 41 3.357 10.240 6.528 1.00 15.00 C ATOM 592 C ILE A 41 3.664 11.521 5.750 1.00 15.00 C ATOM 593 O ILE A 41 4.221 11.479 4.652 1.00 15.00 O ATOM 594 CB ILE A 41 4.663 9.487 6.898 1.00 15.00 C ATOM 595 CG1 ILE A 41 4.423 8.521 8.069 1.00 15.00 C ATOM 596 CG2 ILE A 41 5.788 10.451 7.242 1.00 15.00 C ATOM 597 CD1 ILE A 41 3.013 7.970 8.148 1.00 15.00 C ATOM 0 H ILE A 41 2.872 8.559 5.375 1.00 15.00 H new ATOM 0 HA ILE A 41 2.858 10.554 7.445 1.00 15.00 H new ATOM 0 HB ILE A 41 4.964 8.914 6.021 1.00 15.00 H new ATOM 0 HG12 ILE A 41 5.121 7.688 7.986 1.00 15.00 H new ATOM 0 HG13 ILE A 41 4.651 9.036 9.002 1.00 15.00 H new ATOM 0 HG21 ILE A 41 6.686 9.887 7.496 1.00 15.00 H new ATOM 0 HG22 ILE A 41 5.993 11.092 6.385 1.00 15.00 H new ATOM 0 HG23 ILE A 41 5.493 11.066 8.093 1.00 15.00 H new ATOM 0 HD11 ILE A 41 2.932 7.298 9.002 1.00 15.00 H new ATOM 0 HD12 ILE A 41 2.307 8.792 8.265 1.00 15.00 H new ATOM 0 HD13 ILE A 41 2.784 7.423 7.233 1.00 15.00 H new ATOM 609 N PRO A 42 3.305 12.686 6.345 1.00 15.00 N ATOM 610 CA PRO A 42 3.531 14.007 5.742 1.00 15.00 C ATOM 611 C PRO A 42 5.012 14.340 5.589 1.00 15.00 C ATOM 612 O PRO A 42 5.503 15.308 6.171 1.00 15.00 O ATOM 613 CB PRO A 42 2.869 14.977 6.727 1.00 15.00 C ATOM 614 CG PRO A 42 2.839 14.245 8.021 1.00 15.00 C ATOM 615 CD PRO A 42 2.653 12.800 7.666 1.00 15.00 C ATOM 0 HA PRO A 42 3.123 14.058 4.733 1.00 15.00 H new ATOM 0 HB2 PRO A 42 3.436 15.904 6.810 1.00 15.00 H new ATOM 0 HB3 PRO A 42 1.864 15.246 6.402 1.00 15.00 H new ATOM 0 HG2 PRO A 42 3.764 14.395 8.577 1.00 15.00 H new ATOM 0 HG3 PRO A 42 2.025 14.601 8.653 1.00 15.00 H new ATOM 0 HD2 PRO A 42 3.117 12.143 8.401 1.00 15.00 H new ATOM 0 HD3 PRO A 42 1.598 12.530 7.618 1.00 15.00 H new ATOM 623 N GLN A 43 5.723 13.537 4.805 1.00 15.00 N ATOM 624 CA GLN A 43 7.146 13.760 4.586 1.00 15.00 C ATOM 625 C GLN A 43 7.590 13.240 3.221 1.00 15.00 C ATOM 626 O GLN A 43 8.313 13.923 2.495 1.00 15.00 O ATOM 627 CB GLN A 43 7.963 13.087 5.691 1.00 15.00 C ATOM 628 CG GLN A 43 8.361 14.032 6.813 1.00 15.00 C ATOM 629 CD GLN A 43 9.698 14.702 6.563 1.00 15.00 C ATOM 630 OE1 GLN A 43 10.291 14.551 5.496 1.00 15.00 O ATOM 631 NE2 GLN A 43 10.179 15.447 7.551 1.00 15.00 N ATOM 0 H GLN A 43 5.339 12.730 4.313 1.00 15.00 H new ATOM 0 HA GLN A 43 7.321 14.836 4.611 1.00 15.00 H new ATOM 0 HB2 GLN A 43 7.385 12.263 6.109 1.00 15.00 H new ATOM 0 HB3 GLN A 43 8.863 12.655 5.254 1.00 15.00 H new ATOM 0 HG2 GLN A 43 7.592 14.796 6.930 1.00 15.00 H new ATOM 0 HG3 GLN A 43 8.406 13.478 7.751 1.00 15.00 H new ATOM 0 HE21 GLN A 43 9.653 15.544 8.419 1.00 15.00 H new ATOM 0 HE22 GLN A 43 11.075 15.922 7.442 1.00 15.00 H new ATOM 640 N GLY A 44 7.170 12.025 2.880 1.00 15.00 N ATOM 641 CA GLY A 44 7.559 11.445 1.604 1.00 15.00 C ATOM 642 C GLY A 44 6.626 11.805 0.463 1.00 15.00 C ATOM 643 O GLY A 44 5.525 12.313 0.676 1.00 15.00 O ATOM 0 H GLY A 44 6.572 11.435 3.458 1.00 15.00 H new ATOM 0 HA2 GLY A 44 8.567 11.777 1.356 1.00 15.00 H new ATOM 0 HA3 GLY A 44 7.596 10.360 1.704 1.00 15.00 H new ATOM 647 N ALA A 45 7.084 11.530 -0.753 1.00 15.00 N ATOM 648 CA ALA A 45 6.321 11.818 -1.967 1.00 15.00 C ATOM 649 C ALA A 45 4.949 11.148 -1.971 1.00 15.00 C ATOM 650 O ALA A 45 4.094 11.485 -2.791 1.00 15.00 O ATOM 651 CB ALA A 45 7.110 11.386 -3.191 1.00 15.00 C ATOM 0 H ALA A 45 7.993 11.102 -0.928 1.00 15.00 H new ATOM 0 HA ALA A 45 6.154 12.895 -1.992 1.00 15.00 H new ATOM 0 HB1 ALA A 45 6.534 11.604 -4.091 1.00 15.00 H new ATOM 0 HB2 ALA A 45 8.055 11.928 -3.225 1.00 15.00 H new ATOM 0 HB3 ALA A 45 7.307 10.315 -3.137 1.00 15.00 H new ATOM 657 N ALA A 46 4.735 10.199 -1.068 1.00 15.00 N ATOM 658 CA ALA A 46 3.459 9.499 -1.002 1.00 15.00 C ATOM 659 C ALA A 46 2.374 10.407 -0.448 1.00 15.00 C ATOM 660 O ALA A 46 1.354 10.639 -1.099 1.00 15.00 O ATOM 661 CB ALA A 46 3.582 8.250 -0.145 1.00 15.00 C ATOM 0 H ALA A 46 5.422 9.898 -0.377 1.00 15.00 H new ATOM 0 HA ALA A 46 3.181 9.205 -2.014 1.00 15.00 H new ATOM 0 HB1 ALA A 46 2.620 7.739 -0.106 1.00 15.00 H new ATOM 0 HB2 ALA A 46 4.329 7.584 -0.577 1.00 15.00 H new ATOM 0 HB3 ALA A 46 3.885 8.529 0.864 1.00 15.00 H new ATOM 667 N GLU A 47 2.602 10.928 0.752 1.00 15.00 N ATOM 668 CA GLU A 47 1.644 11.825 1.386 1.00 15.00 C ATOM 669 C GLU A 47 1.370 13.032 0.489 1.00 15.00 C ATOM 670 O GLU A 47 0.226 13.460 0.336 1.00 15.00 O ATOM 671 CB GLU A 47 2.171 12.298 2.750 1.00 15.00 C ATOM 672 CG GLU A 47 3.337 13.263 2.622 1.00 15.00 C ATOM 673 CD GLU A 47 2.890 14.700 2.440 1.00 15.00 C ATOM 674 OE1 GLU A 47 1.729 15.009 2.784 1.00 15.00 O ATOM 675 OE2 GLU A 47 3.700 15.517 1.954 1.00 15.00 O ATOM 0 H GLU A 47 3.440 10.745 1.304 1.00 15.00 H new ATOM 0 HA GLU A 47 0.713 11.279 1.538 1.00 15.00 H new ATOM 0 HB2 GLU A 47 1.363 12.781 3.300 1.00 15.00 H new ATOM 0 HB3 GLU A 47 2.483 11.433 3.335 1.00 15.00 H new ATOM 0 HG2 GLU A 47 3.962 13.191 3.512 1.00 15.00 H new ATOM 0 HG3 GLU A 47 3.955 12.969 1.774 1.00 15.00 H new ATOM 682 N SER A 48 2.437 13.579 -0.097 1.00 15.00 N ATOM 683 CA SER A 48 2.325 14.740 -0.975 1.00 15.00 C ATOM 684 C SER A 48 1.316 14.479 -2.082 1.00 15.00 C ATOM 685 O SER A 48 0.216 15.032 -2.074 1.00 15.00 O ATOM 686 CB SER A 48 3.688 15.087 -1.577 1.00 15.00 C ATOM 687 OG SER A 48 3.630 16.303 -2.304 1.00 15.00 O ATOM 0 H SER A 48 3.389 13.234 0.023 1.00 15.00 H new ATOM 0 HA SER A 48 1.978 15.585 -0.381 1.00 15.00 H new ATOM 0 HB2 SER A 48 4.430 15.170 -0.782 1.00 15.00 H new ATOM 0 HB3 SER A 48 4.014 14.281 -2.235 1.00 15.00 H new ATOM 0 HG SER A 48 4.514 16.503 -2.677 1.00 15.00 H new ATOM 693 N ASP A 49 1.684 13.618 -3.024 1.00 15.00 N ATOM 694 CA ASP A 49 0.789 13.275 -4.118 1.00 15.00 C ATOM 695 C ASP A 49 -0.498 12.693 -3.554 1.00 15.00 C ATOM 696 O ASP A 49 -1.595 12.992 -4.027 1.00 15.00 O ATOM 697 CB ASP A 49 1.454 12.268 -5.059 1.00 15.00 C ATOM 698 CG ASP A 49 2.115 12.938 -6.248 1.00 15.00 C ATOM 699 OD1 ASP A 49 3.094 13.685 -6.041 1.00 15.00 O ATOM 700 OD2 ASP A 49 1.652 12.717 -7.387 1.00 15.00 O ATOM 0 H ASP A 49 2.589 13.149 -3.051 1.00 15.00 H new ATOM 0 HA ASP A 49 0.561 14.176 -4.687 1.00 15.00 H new ATOM 0 HB2 ASP A 49 2.200 11.696 -4.507 1.00 15.00 H new ATOM 0 HB3 ASP A 49 0.707 11.558 -5.414 1.00 15.00 H new ATOM 705 N GLY A 50 -0.346 11.861 -2.529 1.00 15.00 N ATOM 706 CA GLY A 50 -1.489 11.244 -1.893 1.00 15.00 C ATOM 707 C GLY A 50 -1.979 10.040 -2.670 1.00 15.00 C ATOM 708 O GLY A 50 -3.180 9.880 -2.890 1.00 15.00 O ATOM 0 H GLY A 50 0.556 11.604 -2.127 1.00 15.00 H new ATOM 0 HA2 GLY A 50 -1.222 10.940 -0.881 1.00 15.00 H new ATOM 0 HA3 GLY A 50 -2.294 11.973 -1.805 1.00 15.00 H new ATOM 712 N ARG A 51 -1.046 9.197 -3.097 1.00 15.00 N ATOM 713 CA ARG A 51 -1.387 8.007 -3.869 1.00 15.00 C ATOM 714 C ARG A 51 -1.886 6.901 -2.950 1.00 15.00 C ATOM 715 O ARG A 51 -2.979 6.366 -3.140 1.00 15.00 O ATOM 716 CB ARG A 51 -0.166 7.525 -4.658 1.00 15.00 C ATOM 717 CG ARG A 51 -0.438 7.306 -6.138 1.00 15.00 C ATOM 718 CD ARG A 51 -0.873 8.589 -6.825 1.00 15.00 C ATOM 719 NE ARG A 51 -2.326 8.741 -6.837 1.00 15.00 N ATOM 720 CZ ARG A 51 -2.950 9.859 -7.199 1.00 15.00 C ATOM 721 NH1 ARG A 51 -2.253 10.921 -7.582 1.00 15.00 N ATOM 722 NH2 ARG A 51 -4.275 9.915 -7.181 1.00 15.00 N ATOM 0 H ARG A 51 -0.048 9.315 -2.922 1.00 15.00 H new ATOM 0 HA ARG A 51 -2.183 8.262 -4.568 1.00 15.00 H new ATOM 0 HB2 ARG A 51 0.636 8.255 -4.550 1.00 15.00 H new ATOM 0 HB3 ARG A 51 0.191 6.592 -4.222 1.00 15.00 H new ATOM 0 HG2 ARG A 51 0.461 6.922 -6.620 1.00 15.00 H new ATOM 0 HG3 ARG A 51 -1.213 6.548 -6.257 1.00 15.00 H new ATOM 0 HD2 ARG A 51 -0.424 9.442 -6.316 1.00 15.00 H new ATOM 0 HD3 ARG A 51 -0.500 8.596 -7.849 1.00 15.00 H new ATOM 0 HE ARG A 51 -2.895 7.944 -6.551 1.00 15.00 H new ATOM 0 HH11 ARG A 51 -1.234 10.883 -7.600 1.00 15.00 H new ATOM 0 HH12 ARG A 51 -2.736 11.776 -7.859 1.00 15.00 H new ATOM 0 HH21 ARG A 51 -4.816 9.101 -6.890 1.00 15.00 H new ATOM 0 HH22 ARG A 51 -4.753 10.772 -7.459 1.00 15.00 H new ATOM 736 N ILE A 52 -1.082 6.570 -1.950 1.00 15.00 N ATOM 737 CA ILE A 52 -1.434 5.541 -0.993 1.00 15.00 C ATOM 738 C ILE A 52 -2.375 6.105 0.073 1.00 15.00 C ATOM 739 O ILE A 52 -2.514 7.322 0.202 1.00 15.00 O ATOM 740 CB ILE A 52 -0.162 4.969 -0.340 1.00 15.00 C ATOM 741 CG1 ILE A 52 -0.486 3.719 0.472 1.00 15.00 C ATOM 742 CG2 ILE A 52 0.514 6.025 0.523 1.00 15.00 C ATOM 743 CD1 ILE A 52 -1.187 2.646 -0.327 1.00 15.00 C ATOM 0 H ILE A 52 -0.175 7.006 -1.783 1.00 15.00 H new ATOM 0 HA ILE A 52 -1.950 4.736 -1.517 1.00 15.00 H new ATOM 0 HB ILE A 52 0.533 4.682 -1.129 1.00 15.00 H new ATOM 0 HG12 ILE A 52 0.439 3.311 0.880 1.00 15.00 H new ATOM 0 HG13 ILE A 52 -1.113 3.998 1.319 1.00 15.00 H new ATOM 0 HG21 ILE A 52 1.411 5.604 0.977 1.00 15.00 H new ATOM 0 HG22 ILE A 52 0.787 6.880 -0.095 1.00 15.00 H new ATOM 0 HG23 ILE A 52 -0.172 6.348 1.306 1.00 15.00 H new ATOM 0 HD11 ILE A 52 -1.386 1.787 0.314 1.00 15.00 H new ATOM 0 HD12 ILE A 52 -2.128 3.037 -0.713 1.00 15.00 H new ATOM 0 HD13 ILE A 52 -0.553 2.339 -1.159 1.00 15.00 H new ATOM 755 N HIS A 53 -3.034 5.225 0.822 1.00 15.00 N ATOM 756 CA HIS A 53 -3.972 5.659 1.854 1.00 15.00 C ATOM 757 C HIS A 53 -3.982 4.724 3.046 1.00 15.00 C ATOM 758 O HIS A 53 -3.594 3.561 2.957 1.00 15.00 O ATOM 759 CB HIS A 53 -5.382 5.785 1.275 1.00 15.00 C ATOM 760 CG HIS A 53 -5.517 6.878 0.260 1.00 15.00 C ATOM 761 ND1 HIS A 53 -5.408 6.662 -1.097 1.00 15.00 N ATOM 762 CD2 HIS A 53 -5.754 8.203 0.411 1.00 15.00 C ATOM 763 CE1 HIS A 53 -5.572 7.807 -1.738 1.00 15.00 C ATOM 764 NE2 HIS A 53 -5.784 8.756 -0.846 1.00 15.00 N ATOM 0 H HIS A 53 -2.937 4.213 0.735 1.00 15.00 H new ATOM 0 HA HIS A 53 -3.636 6.635 2.204 1.00 15.00 H new ATOM 0 HB2 HIS A 53 -5.663 4.837 0.816 1.00 15.00 H new ATOM 0 HB3 HIS A 53 -6.085 5.967 2.088 1.00 15.00 H new ATOM 0 HD2 HIS A 53 -5.893 8.727 1.345 1.00 15.00 H new ATOM 0 HE1 HIS A 53 -5.538 7.942 -2.809 1.00 15.00 H new ATOM 0 HE2 HIS A 53 -5.944 9.741 -1.056 1.00 15.00 H new ATOM 773 N LYS A 54 -4.415 5.279 4.169 1.00 15.00 N ATOM 774 CA LYS A 54 -4.477 4.569 5.433 1.00 15.00 C ATOM 775 C LYS A 54 -5.050 3.155 5.297 1.00 15.00 C ATOM 776 O LYS A 54 -6.081 2.947 4.657 1.00 15.00 O ATOM 777 CB LYS A 54 -5.313 5.369 6.435 1.00 15.00 C ATOM 778 CG LYS A 54 -4.559 5.738 7.699 1.00 15.00 C ATOM 779 CD LYS A 54 -5.447 5.635 8.929 1.00 15.00 C ATOM 780 CE LYS A 54 -5.558 4.200 9.420 1.00 15.00 C ATOM 781 NZ LYS A 54 -6.920 3.640 9.200 1.00 15.00 N ATOM 0 H LYS A 54 -4.736 6.245 4.226 1.00 15.00 H new ATOM 0 HA LYS A 54 -3.452 4.465 5.789 1.00 15.00 H new ATOM 0 HB2 LYS A 54 -5.667 6.281 5.954 1.00 15.00 H new ATOM 0 HB3 LYS A 54 -6.195 4.788 6.705 1.00 15.00 H new ATOM 0 HG2 LYS A 54 -3.698 5.080 7.815 1.00 15.00 H new ATOM 0 HG3 LYS A 54 -4.175 6.754 7.611 1.00 15.00 H new ATOM 0 HD2 LYS A 54 -5.043 6.262 9.724 1.00 15.00 H new ATOM 0 HD3 LYS A 54 -6.440 6.018 8.695 1.00 15.00 H new ATOM 0 HE2 LYS A 54 -4.824 3.582 8.903 1.00 15.00 H new ATOM 0 HE3 LYS A 54 -5.317 4.160 10.482 1.00 15.00 H new ATOM 0 HZ1 LYS A 54 -6.850 2.618 9.020 1.00 15.00 H new ATOM 0 HZ2 LYS A 54 -7.503 3.803 10.045 1.00 15.00 H new ATOM 0 HZ3 LYS A 54 -7.359 4.107 8.381 1.00 15.00 H new ATOM 795 N GLY A 55 -4.372 2.190 5.924 1.00 15.00 N ATOM 796 CA GLY A 55 -4.818 0.807 5.889 1.00 15.00 C ATOM 797 C GLY A 55 -5.121 0.312 4.492 1.00 15.00 C ATOM 798 O GLY A 55 -5.989 -0.541 4.306 1.00 15.00 O ATOM 0 H GLY A 55 -3.517 2.346 6.458 1.00 15.00 H new ATOM 0 HA2 GLY A 55 -4.050 0.173 6.333 1.00 15.00 H new ATOM 0 HA3 GLY A 55 -5.711 0.705 6.505 1.00 15.00 H new ATOM 802 N ASP A 56 -4.406 0.837 3.506 1.00 15.00 N ATOM 803 CA ASP A 56 -4.617 0.422 2.127 1.00 15.00 C ATOM 804 C ASP A 56 -4.225 -1.040 1.937 1.00 15.00 C ATOM 805 O ASP A 56 -3.127 -1.451 2.317 1.00 15.00 O ATOM 806 CB ASP A 56 -3.825 1.312 1.167 1.00 15.00 C ATOM 807 CG ASP A 56 -4.688 2.377 0.521 1.00 15.00 C ATOM 808 OD1 ASP A 56 -5.919 2.358 0.733 1.00 15.00 O ATOM 809 OD2 ASP A 56 -4.133 3.231 -0.199 1.00 15.00 O ATOM 0 H ASP A 56 -3.682 1.544 3.634 1.00 15.00 H new ATOM 0 HA ASP A 56 -5.678 0.528 1.901 1.00 15.00 H new ATOM 0 HB2 ASP A 56 -3.008 1.789 1.709 1.00 15.00 H new ATOM 0 HB3 ASP A 56 -3.374 0.694 0.391 1.00 15.00 H new ATOM 814 N ARG A 57 -5.126 -1.818 1.343 1.00 15.00 N ATOM 815 CA ARG A 57 -4.871 -3.232 1.096 1.00 15.00 C ATOM 816 C ARG A 57 -4.018 -3.405 -0.154 1.00 15.00 C ATOM 817 O ARG A 57 -4.543 -3.556 -1.257 1.00 15.00 O ATOM 818 CB ARG A 57 -6.189 -3.992 0.929 1.00 15.00 C ATOM 819 CG ARG A 57 -7.228 -3.659 1.987 1.00 15.00 C ATOM 820 CD ARG A 57 -8.227 -4.793 2.157 1.00 15.00 C ATOM 821 NE ARG A 57 -9.257 -4.475 3.143 1.00 15.00 N ATOM 822 CZ ARG A 57 -10.166 -5.348 3.571 1.00 15.00 C ATOM 823 NH1 ARG A 57 -10.174 -6.590 3.105 1.00 15.00 N ATOM 824 NH2 ARG A 57 -11.069 -4.978 4.469 1.00 15.00 N ATOM 0 H ARG A 57 -6.039 -1.492 1.024 1.00 15.00 H new ATOM 0 HA ARG A 57 -4.334 -3.638 1.953 1.00 15.00 H new ATOM 0 HB2 ARG A 57 -6.603 -3.771 -0.055 1.00 15.00 H new ATOM 0 HB3 ARG A 57 -5.986 -5.063 0.957 1.00 15.00 H new ATOM 0 HG2 ARG A 57 -6.732 -3.463 2.938 1.00 15.00 H new ATOM 0 HG3 ARG A 57 -7.755 -2.746 1.708 1.00 15.00 H new ATOM 0 HD2 ARG A 57 -8.698 -5.007 1.198 1.00 15.00 H new ATOM 0 HD3 ARG A 57 -7.700 -5.697 2.463 1.00 15.00 H new ATOM 0 HE ARG A 57 -9.281 -3.530 3.525 1.00 15.00 H new ATOM 0 HH11 ARG A 57 -9.481 -6.880 2.415 1.00 15.00 H new ATOM 0 HH12 ARG A 57 -10.873 -7.255 3.437 1.00 15.00 H new ATOM 0 HH21 ARG A 57 -11.067 -4.025 4.832 1.00 15.00 H new ATOM 0 HH22 ARG A 57 -11.766 -5.647 4.797 1.00 15.00 H new ATOM 838 N VAL A 58 -2.700 -3.376 0.019 1.00 15.00 N ATOM 839 CA VAL A 58 -1.789 -3.523 -1.107 1.00 15.00 C ATOM 840 C VAL A 58 -1.643 -4.990 -1.507 1.00 15.00 C ATOM 841 O VAL A 58 -1.104 -5.807 -0.754 1.00 15.00 O ATOM 842 CB VAL A 58 -0.402 -2.896 -0.813 1.00 15.00 C ATOM 843 CG1 VAL A 58 -0.554 -1.620 0.003 1.00 15.00 C ATOM 844 CG2 VAL A 58 0.519 -3.877 -0.100 1.00 15.00 C ATOM 0 H VAL A 58 -2.243 -3.253 0.923 1.00 15.00 H new ATOM 0 HA VAL A 58 -2.225 -2.979 -1.945 1.00 15.00 H new ATOM 0 HB VAL A 58 0.056 -2.649 -1.771 1.00 15.00 H new ATOM 0 HG11 VAL A 58 0.430 -1.194 0.199 1.00 15.00 H new ATOM 0 HG12 VAL A 58 -1.156 -0.902 -0.554 1.00 15.00 H new ATOM 0 HG13 VAL A 58 -1.046 -1.849 0.949 1.00 15.00 H new ATOM 0 HG21 VAL A 58 1.481 -3.401 0.089 1.00 15.00 H new ATOM 0 HG22 VAL A 58 0.070 -4.175 0.847 1.00 15.00 H new ATOM 0 HG23 VAL A 58 0.666 -4.758 -0.725 1.00 15.00 H new ATOM 854 N LEU A 59 -2.158 -5.314 -2.692 1.00 15.00 N ATOM 855 CA LEU A 59 -2.113 -6.680 -3.204 1.00 15.00 C ATOM 856 C LEU A 59 -1.110 -6.843 -4.348 1.00 15.00 C ATOM 857 O LEU A 59 -0.768 -7.965 -4.715 1.00 15.00 O ATOM 858 CB LEU A 59 -3.504 -7.110 -3.675 1.00 15.00 C ATOM 859 CG LEU A 59 -4.587 -7.101 -2.595 1.00 15.00 C ATOM 860 CD1 LEU A 59 -5.850 -7.778 -3.104 1.00 15.00 C ATOM 861 CD2 LEU A 59 -4.087 -7.783 -1.330 1.00 15.00 C ATOM 0 H LEU A 59 -2.612 -4.647 -3.316 1.00 15.00 H new ATOM 0 HA LEU A 59 -1.782 -7.318 -2.384 1.00 15.00 H new ATOM 0 HB2 LEU A 59 -3.816 -6.451 -4.486 1.00 15.00 H new ATOM 0 HB3 LEU A 59 -3.435 -8.116 -4.090 1.00 15.00 H new ATOM 0 HG LEU A 59 -4.824 -6.065 -2.354 1.00 15.00 H new ATOM 0 HD11 LEU A 59 -6.611 -7.763 -2.323 1.00 15.00 H new ATOM 0 HD12 LEU A 59 -6.220 -7.247 -3.981 1.00 15.00 H new ATOM 0 HD13 LEU A 59 -5.626 -8.810 -3.373 1.00 15.00 H new ATOM 0 HD21 LEU A 59 -4.871 -7.767 -0.573 1.00 15.00 H new ATOM 0 HD22 LEU A 59 -3.821 -8.816 -1.554 1.00 15.00 H new ATOM 0 HD23 LEU A 59 -3.210 -7.256 -0.955 1.00 15.00 H new ATOM 873 N ALA A 60 -0.660 -5.734 -4.932 1.00 15.00 N ATOM 874 CA ALA A 60 0.278 -5.807 -6.051 1.00 15.00 C ATOM 875 C ALA A 60 1.220 -4.606 -6.112 1.00 15.00 C ATOM 876 O ALA A 60 0.854 -3.488 -5.753 1.00 15.00 O ATOM 877 CB ALA A 60 -0.490 -5.938 -7.358 1.00 15.00 C ATOM 0 H ALA A 60 -0.924 -4.789 -4.655 1.00 15.00 H new ATOM 0 HA ALA A 60 0.900 -6.688 -5.894 1.00 15.00 H new ATOM 0 HB1 ALA A 60 0.213 -5.992 -8.189 1.00 15.00 H new ATOM 0 HB2 ALA A 60 -1.095 -6.844 -7.335 1.00 15.00 H new ATOM 0 HB3 ALA A 60 -1.139 -5.072 -7.487 1.00 15.00 H new ATOM 883 N VAL A 61 2.432 -4.859 -6.600 1.00 15.00 N ATOM 884 CA VAL A 61 3.453 -3.827 -6.757 1.00 15.00 C ATOM 885 C VAL A 61 4.175 -4.039 -8.078 1.00 15.00 C ATOM 886 O VAL A 61 5.038 -4.909 -8.190 1.00 15.00 O ATOM 887 CB VAL A 61 4.480 -3.850 -5.609 1.00 15.00 C ATOM 888 CG1 VAL A 61 5.370 -2.617 -5.661 1.00 15.00 C ATOM 889 CG2 VAL A 61 3.777 -3.958 -4.266 1.00 15.00 C ATOM 0 H VAL A 61 2.734 -5.787 -6.898 1.00 15.00 H new ATOM 0 HA VAL A 61 2.955 -2.858 -6.739 1.00 15.00 H new ATOM 0 HB VAL A 61 5.114 -4.728 -5.731 1.00 15.00 H new ATOM 0 HG11 VAL A 61 6.088 -2.652 -4.842 1.00 15.00 H new ATOM 0 HG12 VAL A 61 5.904 -2.593 -6.611 1.00 15.00 H new ATOM 0 HG13 VAL A 61 4.756 -1.721 -5.567 1.00 15.00 H new ATOM 0 HG21 VAL A 61 4.519 -3.973 -3.467 1.00 15.00 H new ATOM 0 HG22 VAL A 61 3.116 -3.102 -4.131 1.00 15.00 H new ATOM 0 HG23 VAL A 61 3.192 -4.877 -4.235 1.00 15.00 H new ATOM 899 N ASN A 62 3.791 -3.268 -9.088 1.00 15.00 N ATOM 900 CA ASN A 62 4.379 -3.411 -10.411 1.00 15.00 C ATOM 901 C ASN A 62 4.021 -4.778 -10.994 1.00 15.00 C ATOM 902 O ASN A 62 4.636 -5.237 -11.957 1.00 15.00 O ATOM 903 CB ASN A 62 5.900 -3.242 -10.353 1.00 15.00 C ATOM 904 CG ASN A 62 6.324 -1.993 -9.601 1.00 15.00 C ATOM 905 OD1 ASN A 62 7.382 -1.968 -8.973 1.00 15.00 O ATOM 906 ND2 ASN A 62 5.505 -0.946 -9.664 1.00 15.00 N ATOM 0 H ASN A 62 3.079 -2.541 -9.016 1.00 15.00 H new ATOM 0 HA ASN A 62 3.975 -2.630 -11.055 1.00 15.00 H new ATOM 0 HB2 ASN A 62 6.340 -4.116 -9.874 1.00 15.00 H new ATOM 0 HB3 ASN A 62 6.296 -3.202 -11.368 1.00 15.00 H new ATOM 0 HD21 ASN A 62 5.745 -0.081 -9.180 1.00 15.00 H new ATOM 0 HD22 ASN A 62 4.637 -1.009 -10.196 1.00 15.00 H new ATOM 913 N GLY A 63 3.011 -5.420 -10.400 1.00 15.00 N ATOM 914 CA GLY A 63 2.570 -6.722 -10.864 1.00 15.00 C ATOM 915 C GLY A 63 2.957 -7.860 -9.935 1.00 15.00 C ATOM 916 O GLY A 63 2.715 -9.025 -10.248 1.00 15.00 O ATOM 0 H GLY A 63 2.491 -5.055 -9.602 1.00 15.00 H new ATOM 0 HA2 GLY A 63 1.486 -6.710 -10.979 1.00 15.00 H new ATOM 0 HA3 GLY A 63 2.993 -6.909 -11.851 1.00 15.00 H new ATOM 920 N VAL A 64 3.549 -7.534 -8.788 1.00 15.00 N ATOM 921 CA VAL A 64 3.947 -8.558 -7.828 1.00 15.00 C ATOM 922 C VAL A 64 2.854 -8.778 -6.781 1.00 15.00 C ATOM 923 O VAL A 64 2.634 -7.939 -5.909 1.00 15.00 O ATOM 924 CB VAL A 64 5.283 -8.206 -7.134 1.00 15.00 C ATOM 925 CG1 VAL A 64 5.097 -7.127 -6.079 1.00 15.00 C ATOM 926 CG2 VAL A 64 5.909 -9.452 -6.525 1.00 15.00 C ATOM 0 H VAL A 64 3.762 -6.578 -8.503 1.00 15.00 H new ATOM 0 HA VAL A 64 4.092 -9.482 -8.387 1.00 15.00 H new ATOM 0 HB VAL A 64 5.959 -7.810 -7.892 1.00 15.00 H new ATOM 0 HG11 VAL A 64 6.057 -6.905 -5.612 1.00 15.00 H new ATOM 0 HG12 VAL A 64 4.704 -6.224 -6.547 1.00 15.00 H new ATOM 0 HG13 VAL A 64 4.397 -7.477 -5.320 1.00 15.00 H new ATOM 0 HG21 VAL A 64 6.849 -9.187 -6.040 1.00 15.00 H new ATOM 0 HG22 VAL A 64 5.228 -9.878 -5.788 1.00 15.00 H new ATOM 0 HG23 VAL A 64 6.099 -10.184 -7.310 1.00 15.00 H new ATOM 936 N SER A 65 2.167 -9.911 -6.879 1.00 15.00 N ATOM 937 CA SER A 65 1.092 -10.237 -5.947 1.00 15.00 C ATOM 938 C SER A 65 1.589 -10.219 -4.505 1.00 15.00 C ATOM 939 O SER A 65 2.658 -10.746 -4.198 1.00 15.00 O ATOM 940 CB SER A 65 0.502 -11.609 -6.277 1.00 15.00 C ATOM 941 OG SER A 65 0.560 -11.868 -7.669 1.00 15.00 O ATOM 0 H SER A 65 2.335 -10.619 -7.594 1.00 15.00 H new ATOM 0 HA SER A 65 0.316 -9.478 -6.051 1.00 15.00 H new ATOM 0 HB2 SER A 65 1.048 -12.383 -5.737 1.00 15.00 H new ATOM 0 HB3 SER A 65 -0.533 -11.654 -5.938 1.00 15.00 H new ATOM 0 HG SER A 65 0.178 -12.752 -7.854 1.00 15.00 H new ATOM 947 N LEU A 66 0.801 -9.610 -3.625 1.00 15.00 N ATOM 948 CA LEU A 66 1.151 -9.520 -2.213 1.00 15.00 C ATOM 949 C LEU A 66 0.460 -10.619 -1.409 1.00 15.00 C ATOM 950 O LEU A 66 0.901 -10.968 -0.315 1.00 15.00 O ATOM 951 CB LEU A 66 0.767 -8.146 -1.659 1.00 15.00 C ATOM 952 CG LEU A 66 1.823 -7.490 -0.768 1.00 15.00 C ATOM 953 CD1 LEU A 66 2.246 -8.436 0.345 1.00 15.00 C ATOM 954 CD2 LEU A 66 3.027 -7.065 -1.596 1.00 15.00 C ATOM 0 H LEU A 66 -0.087 -9.170 -3.867 1.00 15.00 H new ATOM 0 HA LEU A 66 2.229 -9.653 -2.121 1.00 15.00 H new ATOM 0 HB2 LEU A 66 0.555 -7.480 -2.495 1.00 15.00 H new ATOM 0 HB3 LEU A 66 -0.157 -8.246 -1.089 1.00 15.00 H new ATOM 0 HG LEU A 66 1.386 -6.601 -0.313 1.00 15.00 H new ATOM 0 HD11 LEU A 66 2.998 -7.952 0.968 1.00 15.00 H new ATOM 0 HD12 LEU A 66 1.379 -8.691 0.954 1.00 15.00 H new ATOM 0 HD13 LEU A 66 2.665 -9.344 -0.089 1.00 15.00 H new ATOM 0 HD21 LEU A 66 3.769 -6.600 -0.947 1.00 15.00 H new ATOM 0 HD22 LEU A 66 3.464 -7.939 -2.078 1.00 15.00 H new ATOM 0 HD23 LEU A 66 2.712 -6.351 -2.357 1.00 15.00 H new ATOM 966 N GLU A 67 -0.626 -11.162 -1.959 1.00 15.00 N ATOM 967 CA GLU A 67 -1.375 -12.223 -1.291 1.00 15.00 C ATOM 968 C GLU A 67 -0.436 -13.301 -0.759 1.00 15.00 C ATOM 969 O GLU A 67 0.006 -14.177 -1.503 1.00 15.00 O ATOM 970 CB GLU A 67 -2.390 -12.842 -2.254 1.00 15.00 C ATOM 971 CG GLU A 67 -3.707 -12.085 -2.321 1.00 15.00 C ATOM 972 CD GLU A 67 -3.875 -11.319 -3.619 1.00 15.00 C ATOM 973 OE1 GLU A 67 -2.853 -10.866 -4.177 1.00 15.00 O ATOM 974 OE2 GLU A 67 -5.027 -11.173 -4.077 1.00 15.00 O ATOM 0 H GLU A 67 -1.005 -10.884 -2.864 1.00 15.00 H new ATOM 0 HA GLU A 67 -1.907 -11.783 -0.447 1.00 15.00 H new ATOM 0 HB2 GLU A 67 -1.953 -12.883 -3.252 1.00 15.00 H new ATOM 0 HB3 GLU A 67 -2.587 -13.870 -1.950 1.00 15.00 H new ATOM 0 HG2 GLU A 67 -4.532 -12.789 -2.209 1.00 15.00 H new ATOM 0 HG3 GLU A 67 -3.765 -11.390 -1.483 1.00 15.00 H new ATOM 981 N GLY A 68 -0.131 -13.223 0.531 1.00 15.00 N ATOM 982 CA GLY A 68 0.761 -14.189 1.143 1.00 15.00 C ATOM 983 C GLY A 68 2.107 -13.584 1.490 1.00 15.00 C ATOM 984 O GLY A 68 3.137 -13.991 0.952 1.00 15.00 O ATOM 0 H GLY A 68 -0.486 -12.507 1.165 1.00 15.00 H new ATOM 0 HA2 GLY A 68 0.299 -14.586 2.047 1.00 15.00 H new ATOM 0 HA3 GLY A 68 0.906 -15.029 0.464 1.00 15.00 H new ATOM 988 N ALA A 69 2.095 -12.606 2.389 1.00 15.00 N ATOM 989 CA ALA A 69 3.318 -11.935 2.810 1.00 15.00 C ATOM 990 C ALA A 69 3.043 -10.980 3.967 1.00 15.00 C ATOM 991 O ALA A 69 1.996 -10.336 4.018 1.00 15.00 O ATOM 992 CB ALA A 69 3.939 -11.188 1.639 1.00 15.00 C ATOM 0 H ALA A 69 1.249 -12.260 2.841 1.00 15.00 H new ATOM 0 HA ALA A 69 4.023 -12.692 3.156 1.00 15.00 H new ATOM 0 HB1 ALA A 69 4.852 -10.691 1.967 1.00 15.00 H new ATOM 0 HB2 ALA A 69 4.176 -11.893 0.842 1.00 15.00 H new ATOM 0 HB3 ALA A 69 3.235 -10.444 1.267 1.00 15.00 H new ATOM 998 N THR A 70 3.988 -10.896 4.897 1.00 15.00 N ATOM 999 CA THR A 70 3.844 -10.024 6.057 1.00 15.00 C ATOM 1000 C THR A 70 4.005 -8.556 5.668 1.00 15.00 C ATOM 1001 O THR A 70 4.101 -8.220 4.488 1.00 15.00 O ATOM 1002 CB THR A 70 4.874 -10.392 7.126 1.00 15.00 C ATOM 1003 OG1 THR A 70 6.157 -9.907 6.774 1.00 15.00 O ATOM 1004 CG2 THR A 70 4.993 -11.883 7.355 1.00 15.00 C ATOM 0 H THR A 70 4.862 -11.421 4.870 1.00 15.00 H new ATOM 0 HA THR A 70 2.840 -10.164 6.459 1.00 15.00 H new ATOM 0 HB THR A 70 4.515 -9.928 8.045 1.00 15.00 H new ATOM 0 HG1 THR A 70 6.816 -10.626 6.870 1.00 15.00 H new ATOM 0 HG21 THR A 70 5.740 -12.074 8.125 1.00 15.00 H new ATOM 0 HG22 THR A 70 4.030 -12.280 7.677 1.00 15.00 H new ATOM 0 HG23 THR A 70 5.294 -12.371 6.428 1.00 15.00 H new ATOM 1012 N HIS A 71 4.032 -7.689 6.674 1.00 15.00 N ATOM 1013 CA HIS A 71 4.180 -6.255 6.457 1.00 15.00 C ATOM 1014 C HIS A 71 5.511 -5.952 5.784 1.00 15.00 C ATOM 1015 O HIS A 71 5.555 -5.398 4.686 1.00 15.00 O ATOM 1016 CB HIS A 71 4.044 -5.514 7.799 1.00 15.00 C ATOM 1017 CG HIS A 71 5.003 -4.380 8.008 1.00 15.00 C ATOM 1018 ND1 HIS A 71 5.678 -4.181 9.194 1.00 15.00 N ATOM 1019 CD2 HIS A 71 5.386 -3.374 7.188 1.00 15.00 C ATOM 1020 CE1 HIS A 71 6.431 -3.102 9.095 1.00 15.00 C ATOM 1021 NE2 HIS A 71 6.274 -2.594 7.887 1.00 15.00 N ATOM 0 H HIS A 71 3.953 -7.957 7.655 1.00 15.00 H new ATOM 0 HA HIS A 71 3.391 -5.906 5.790 1.00 15.00 H new ATOM 0 HB2 HIS A 71 3.028 -5.128 7.880 1.00 15.00 H new ATOM 0 HB3 HIS A 71 4.177 -6.233 8.607 1.00 15.00 H new ATOM 0 HD1 HIS A 71 5.606 -4.776 10.020 1.00 15.00 H new ATOM 0 HD2 HIS A 71 5.055 -3.214 6.173 1.00 15.00 H new ATOM 0 HE1 HIS A 71 7.068 -2.702 9.871 1.00 15.00 H new ATOM 1030 N LYS A 72 6.592 -6.330 6.447 1.00 15.00 N ATOM 1031 CA LYS A 72 7.931 -6.114 5.914 1.00 15.00 C ATOM 1032 C LYS A 72 8.044 -6.676 4.502 1.00 15.00 C ATOM 1033 O LYS A 72 8.750 -6.125 3.660 1.00 15.00 O ATOM 1034 CB LYS A 72 8.964 -6.770 6.827 1.00 15.00 C ATOM 1035 CG LYS A 72 10.395 -6.353 6.531 1.00 15.00 C ATOM 1036 CD LYS A 72 11.395 -7.240 7.256 1.00 15.00 C ATOM 1037 CE LYS A 72 11.335 -7.031 8.760 1.00 15.00 C ATOM 1038 NZ LYS A 72 11.722 -8.259 9.508 1.00 15.00 N ATOM 0 H LYS A 72 6.570 -6.789 7.358 1.00 15.00 H new ATOM 0 HA LYS A 72 8.121 -5.042 5.872 1.00 15.00 H new ATOM 0 HB2 LYS A 72 8.730 -6.522 7.862 1.00 15.00 H new ATOM 0 HB3 LYS A 72 8.884 -7.853 6.732 1.00 15.00 H new ATOM 0 HG2 LYS A 72 10.575 -6.402 5.457 1.00 15.00 H new ATOM 0 HG3 LYS A 72 10.542 -5.316 6.831 1.00 15.00 H new ATOM 0 HD2 LYS A 72 11.191 -8.285 7.024 1.00 15.00 H new ATOM 0 HD3 LYS A 72 12.401 -7.024 6.897 1.00 15.00 H new ATOM 0 HE2 LYS A 72 11.998 -6.212 9.039 1.00 15.00 H new ATOM 0 HE3 LYS A 72 10.325 -6.735 9.045 1.00 15.00 H new ATOM 0 HZ1 LYS A 72 11.668 -8.074 10.530 1.00 15.00 H new ATOM 0 HZ2 LYS A 72 11.074 -9.034 9.261 1.00 15.00 H new ATOM 0 HZ3 LYS A 72 12.695 -8.527 9.256 1.00 15.00 H new ATOM 1052 N GLN A 73 7.335 -7.770 4.243 1.00 15.00 N ATOM 1053 CA GLN A 73 7.355 -8.390 2.924 1.00 15.00 C ATOM 1054 C GLN A 73 6.866 -7.396 1.880 1.00 15.00 C ATOM 1055 O GLN A 73 7.548 -7.138 0.888 1.00 15.00 O ATOM 1056 CB GLN A 73 6.489 -9.650 2.906 1.00 15.00 C ATOM 1057 CG GLN A 73 7.048 -10.780 3.755 1.00 15.00 C ATOM 1058 CD GLN A 73 6.743 -12.149 3.180 1.00 15.00 C ATOM 1059 OE1 GLN A 73 6.119 -12.985 3.833 1.00 15.00 O ATOM 1060 NE2 GLN A 73 7.184 -12.386 1.949 1.00 15.00 N ATOM 0 H GLN A 73 6.743 -8.243 4.925 1.00 15.00 H new ATOM 0 HA GLN A 73 8.379 -8.679 2.688 1.00 15.00 H new ATOM 0 HB2 GLN A 73 5.489 -9.400 3.261 1.00 15.00 H new ATOM 0 HB3 GLN A 73 6.385 -9.996 1.877 1.00 15.00 H new ATOM 0 HG2 GLN A 73 8.128 -10.661 3.846 1.00 15.00 H new ATOM 0 HG3 GLN A 73 6.634 -10.712 4.761 1.00 15.00 H new ATOM 0 HE21 GLN A 73 7.697 -11.664 1.443 1.00 15.00 H new ATOM 0 HE22 GLN A 73 7.009 -13.290 1.510 1.00 15.00 H new ATOM 1069 N ALA A 74 5.694 -6.818 2.123 1.00 15.00 N ATOM 1070 CA ALA A 74 5.138 -5.827 1.214 1.00 15.00 C ATOM 1071 C ALA A 74 6.001 -4.577 1.229 1.00 15.00 C ATOM 1072 O ALA A 74 6.327 -4.022 0.182 1.00 15.00 O ATOM 1073 CB ALA A 74 3.710 -5.488 1.588 1.00 15.00 C ATOM 0 H ALA A 74 5.115 -7.019 2.938 1.00 15.00 H new ATOM 0 HA ALA A 74 5.130 -6.245 0.207 1.00 15.00 H new ATOM 0 HB1 ALA A 74 3.318 -4.745 0.893 1.00 15.00 H new ATOM 0 HB2 ALA A 74 3.098 -6.388 1.540 1.00 15.00 H new ATOM 0 HB3 ALA A 74 3.685 -5.086 2.601 1.00 15.00 H new ATOM 1079 N VAL A 75 6.392 -4.155 2.432 1.00 15.00 N ATOM 1080 CA VAL A 75 7.252 -2.988 2.596 1.00 15.00 C ATOM 1081 C VAL A 75 8.356 -3.037 1.555 1.00 15.00 C ATOM 1082 O VAL A 75 8.706 -2.030 0.941 1.00 15.00 O ATOM 1083 CB VAL A 75 7.855 -2.954 4.022 1.00 15.00 C ATOM 1084 CG1 VAL A 75 9.365 -3.160 4.011 1.00 15.00 C ATOM 1085 CG2 VAL A 75 7.501 -1.662 4.731 1.00 15.00 C ATOM 0 H VAL A 75 6.125 -4.606 3.307 1.00 15.00 H new ATOM 0 HA VAL A 75 6.662 -2.082 2.459 1.00 15.00 H new ATOM 0 HB VAL A 75 7.415 -3.786 4.572 1.00 15.00 H new ATOM 0 HG11 VAL A 75 9.744 -3.128 5.033 1.00 15.00 H new ATOM 0 HG12 VAL A 75 9.597 -4.128 3.568 1.00 15.00 H new ATOM 0 HG13 VAL A 75 9.836 -2.371 3.425 1.00 15.00 H new ATOM 0 HG21 VAL A 75 7.937 -1.664 5.730 1.00 15.00 H new ATOM 0 HG22 VAL A 75 7.894 -0.817 4.165 1.00 15.00 H new ATOM 0 HG23 VAL A 75 6.417 -1.574 4.808 1.00 15.00 H new ATOM 1095 N GLU A 76 8.873 -4.239 1.350 1.00 15.00 N ATOM 1096 CA GLU A 76 9.913 -4.464 0.368 1.00 15.00 C ATOM 1097 C GLU A 76 9.368 -4.251 -1.041 1.00 15.00 C ATOM 1098 O GLU A 76 10.009 -3.607 -1.864 1.00 15.00 O ATOM 1099 CB GLU A 76 10.478 -5.879 0.508 1.00 15.00 C ATOM 1100 CG GLU A 76 11.102 -6.152 1.868 1.00 15.00 C ATOM 1101 CD GLU A 76 11.059 -7.620 2.246 1.00 15.00 C ATOM 1102 OE1 GLU A 76 10.310 -8.378 1.595 1.00 15.00 O ATOM 1103 OE2 GLU A 76 11.773 -8.010 3.193 1.00 15.00 O ATOM 0 H GLU A 76 8.584 -5.076 1.856 1.00 15.00 H new ATOM 0 HA GLU A 76 10.716 -3.748 0.543 1.00 15.00 H new ATOM 0 HB2 GLU A 76 9.679 -6.600 0.333 1.00 15.00 H new ATOM 0 HB3 GLU A 76 11.228 -6.040 -0.266 1.00 15.00 H new ATOM 0 HG2 GLU A 76 12.138 -5.812 1.863 1.00 15.00 H new ATOM 0 HG3 GLU A 76 10.579 -5.570 2.627 1.00 15.00 H new ATOM 1110 N THR A 77 8.178 -4.791 -1.316 1.00 15.00 N ATOM 1111 CA THR A 77 7.570 -4.640 -2.637 1.00 15.00 C ATOM 1112 C THR A 77 7.251 -3.178 -2.940 1.00 15.00 C ATOM 1113 O THR A 77 7.680 -2.643 -3.961 1.00 15.00 O ATOM 1114 CB THR A 77 6.306 -5.487 -2.762 1.00 15.00 C ATOM 1115 OG1 THR A 77 5.398 -5.203 -1.714 1.00 15.00 O ATOM 1116 CG2 THR A 77 6.578 -6.975 -2.749 1.00 15.00 C ATOM 0 H THR A 77 7.624 -5.330 -0.650 1.00 15.00 H new ATOM 0 HA THR A 77 8.298 -4.991 -3.368 1.00 15.00 H new ATOM 0 HB THR A 77 5.880 -5.221 -3.729 1.00 15.00 H new ATOM 0 HG1 THR A 77 5.807 -4.568 -1.089 1.00 15.00 H new ATOM 0 HG21 THR A 77 5.637 -7.518 -2.841 1.00 15.00 H new ATOM 0 HG22 THR A 77 7.229 -7.233 -3.584 1.00 15.00 H new ATOM 0 HG23 THR A 77 7.064 -7.248 -1.812 1.00 15.00 H new ATOM 1124 N LEU A 78 6.498 -2.533 -2.049 1.00 15.00 N ATOM 1125 CA LEU A 78 6.133 -1.130 -2.240 1.00 15.00 C ATOM 1126 C LEU A 78 7.381 -0.295 -2.472 1.00 15.00 C ATOM 1127 O LEU A 78 7.448 0.507 -3.404 1.00 15.00 O ATOM 1128 CB LEU A 78 5.375 -0.587 -1.023 1.00 15.00 C ATOM 1129 CG LEU A 78 4.403 -1.564 -0.359 1.00 15.00 C ATOM 1130 CD1 LEU A 78 3.586 -0.855 0.711 1.00 15.00 C ATOM 1131 CD2 LEU A 78 3.490 -2.201 -1.397 1.00 15.00 C ATOM 0 H LEU A 78 6.132 -2.955 -1.196 1.00 15.00 H new ATOM 0 HA LEU A 78 5.482 -1.067 -3.112 1.00 15.00 H new ATOM 0 HB2 LEU A 78 6.103 -0.264 -0.279 1.00 15.00 H new ATOM 0 HB3 LEU A 78 4.819 0.299 -1.330 1.00 15.00 H new ATOM 0 HG LEU A 78 4.981 -2.356 0.117 1.00 15.00 H new ATOM 0 HD11 LEU A 78 2.899 -1.564 1.174 1.00 15.00 H new ATOM 0 HD12 LEU A 78 4.255 -0.449 1.470 1.00 15.00 H new ATOM 0 HD13 LEU A 78 3.018 -0.043 0.257 1.00 15.00 H new ATOM 0 HD21 LEU A 78 2.806 -2.893 -0.905 1.00 15.00 H new ATOM 0 HD22 LEU A 78 2.918 -1.424 -1.904 1.00 15.00 H new ATOM 0 HD23 LEU A 78 4.091 -2.743 -2.127 1.00 15.00 H new ATOM 1143 N ARG A 79 8.371 -0.503 -1.618 1.00 15.00 N ATOM 1144 CA ARG A 79 9.633 0.208 -1.716 1.00 15.00 C ATOM 1145 C ARG A 79 10.396 -0.231 -2.965 1.00 15.00 C ATOM 1146 O ARG A 79 10.701 0.583 -3.837 1.00 15.00 O ATOM 1147 CB ARG A 79 10.466 -0.052 -0.460 1.00 15.00 C ATOM 1148 CG ARG A 79 11.379 1.103 -0.080 1.00 15.00 C ATOM 1149 CD ARG A 79 12.161 0.801 1.189 1.00 15.00 C ATOM 1150 NE ARG A 79 12.167 1.934 2.111 1.00 15.00 N ATOM 1151 CZ ARG A 79 12.976 2.984 1.990 1.00 15.00 C ATOM 1152 NH1 ARG A 79 13.841 3.051 0.986 1.00 15.00 N ATOM 1153 NH2 ARG A 79 12.919 3.969 2.875 1.00 15.00 N ATOM 0 H ARG A 79 8.322 -1.165 -0.843 1.00 15.00 H new ATOM 0 HA ARG A 79 9.436 1.277 -1.797 1.00 15.00 H new ATOM 0 HB2 ARG A 79 9.795 -0.262 0.373 1.00 15.00 H new ATOM 0 HB3 ARG A 79 11.071 -0.945 -0.615 1.00 15.00 H new ATOM 0 HG2 ARG A 79 12.072 1.304 -0.897 1.00 15.00 H new ATOM 0 HG3 ARG A 79 10.785 2.006 0.063 1.00 15.00 H new ATOM 0 HD2 ARG A 79 11.727 -0.067 1.684 1.00 15.00 H new ATOM 0 HD3 ARG A 79 13.187 0.540 0.929 1.00 15.00 H new ATOM 0 HE ARG A 79 11.513 1.920 2.893 1.00 15.00 H new ATOM 0 HH11 ARG A 79 13.888 2.296 0.302 1.00 15.00 H new ATOM 0 HH12 ARG A 79 14.459 3.858 0.898 1.00 15.00 H new ATOM 0 HH21 ARG A 79 12.255 3.922 3.648 1.00 15.00 H new ATOM 0 HH22 ARG A 79 13.539 4.774 2.783 1.00 15.00 H new ATOM 1167 N ASN A 80 10.697 -1.524 -3.038 1.00 15.00 N ATOM 1168 CA ASN A 80 11.420 -2.096 -4.173 1.00 15.00 C ATOM 1169 C ASN A 80 10.604 -2.026 -5.464 1.00 15.00 C ATOM 1170 O ASN A 80 10.286 -3.056 -6.059 1.00 15.00 O ATOM 1171 CB ASN A 80 11.793 -3.551 -3.881 1.00 15.00 C ATOM 1172 CG ASN A 80 12.619 -3.694 -2.617 1.00 15.00 C ATOM 1173 OD1 ASN A 80 12.905 -2.710 -1.935 1.00 15.00 O ATOM 1174 ND2 ASN A 80 13.007 -4.923 -2.298 1.00 15.00 N ATOM 0 H ASN A 80 10.449 -2.203 -2.318 1.00 15.00 H new ATOM 0 HA ASN A 80 12.324 -1.504 -4.314 1.00 15.00 H new ATOM 0 HB2 ASN A 80 10.884 -4.144 -3.786 1.00 15.00 H new ATOM 0 HB3 ASN A 80 12.352 -3.956 -4.725 1.00 15.00 H new ATOM 0 HD21 ASN A 80 13.565 -5.080 -1.459 1.00 15.00 H new ATOM 0 HD22 ASN A 80 12.747 -5.710 -2.892 1.00 15.00 H new ATOM 1181 N THR A 81 10.280 -0.817 -5.906 1.00 15.00 N ATOM 1182 CA THR A 81 9.517 -0.643 -7.138 1.00 15.00 C ATOM 1183 C THR A 81 10.466 -0.447 -8.318 1.00 15.00 C ATOM 1184 O THR A 81 10.622 -1.334 -9.156 1.00 15.00 O ATOM 1185 CB THR A 81 8.561 0.546 -7.018 1.00 15.00 C ATOM 1186 OG1 THR A 81 8.849 1.307 -5.859 1.00 15.00 O ATOM 1187 CG2 THR A 81 7.103 0.143 -6.949 1.00 15.00 C ATOM 0 H THR A 81 10.531 0.052 -5.435 1.00 15.00 H new ATOM 0 HA THR A 81 8.923 -1.541 -7.309 1.00 15.00 H new ATOM 0 HB THR A 81 8.717 1.130 -7.925 1.00 15.00 H new ATOM 0 HG1 THR A 81 8.331 0.960 -5.103 1.00 15.00 H new ATOM 0 HG21 THR A 81 6.482 1.035 -6.865 1.00 15.00 H new ATOM 0 HG22 THR A 81 6.833 -0.403 -7.853 1.00 15.00 H new ATOM 0 HG23 THR A 81 6.942 -0.494 -6.079 1.00 15.00 H new ATOM 1195 N GLY A 82 11.110 0.716 -8.366 1.00 15.00 N ATOM 1196 CA GLY A 82 12.047 1.004 -9.430 1.00 15.00 C ATOM 1197 C GLY A 82 11.684 2.245 -10.218 1.00 15.00 C ATOM 1198 O GLY A 82 11.824 3.368 -9.734 1.00 15.00 O ATOM 0 H GLY A 82 10.997 1.465 -7.683 1.00 15.00 H new ATOM 0 HA2 GLY A 82 13.043 1.128 -9.006 1.00 15.00 H new ATOM 0 HA3 GLY A 82 12.093 0.151 -10.107 1.00 15.00 H new ATOM 1202 N GLN A 83 11.229 2.032 -11.442 1.00 15.00 N ATOM 1203 CA GLN A 83 10.850 3.132 -12.330 1.00 15.00 C ATOM 1204 C GLN A 83 9.645 3.901 -11.791 1.00 15.00 C ATOM 1205 O GLN A 83 9.789 4.978 -11.214 1.00 15.00 O ATOM 1206 CB GLN A 83 10.550 2.641 -13.762 1.00 15.00 C ATOM 1207 CG GLN A 83 10.637 1.134 -13.962 1.00 15.00 C ATOM 1208 CD GLN A 83 9.470 0.392 -13.340 1.00 15.00 C ATOM 1209 OE1 GLN A 83 8.309 0.720 -13.584 1.00 15.00 O ATOM 1210 NE2 GLN A 83 9.774 -0.616 -12.530 1.00 15.00 N ATOM 0 H GLN A 83 11.111 1.105 -11.850 1.00 15.00 H new ATOM 0 HA GLN A 83 11.708 3.803 -12.367 1.00 15.00 H new ATOM 0 HB2 GLN A 83 9.549 2.971 -14.040 1.00 15.00 H new ATOM 0 HB3 GLN A 83 11.247 3.123 -14.448 1.00 15.00 H new ATOM 0 HG2 GLN A 83 10.674 0.915 -15.029 1.00 15.00 H new ATOM 0 HG3 GLN A 83 11.568 0.767 -13.529 1.00 15.00 H new ATOM 0 HE21 GLN A 83 10.751 -0.854 -12.356 1.00 15.00 H new ATOM 0 HE22 GLN A 83 9.031 -1.152 -12.082 1.00 15.00 H new ATOM 1219 N VAL A 84 8.458 3.343 -12.001 1.00 15.00 N ATOM 1220 CA VAL A 84 7.219 3.968 -11.557 1.00 15.00 C ATOM 1221 C VAL A 84 6.591 3.186 -10.408 1.00 15.00 C ATOM 1222 O VAL A 84 6.857 1.997 -10.226 1.00 15.00 O ATOM 1223 CB VAL A 84 6.211 4.082 -12.722 1.00 15.00 C ATOM 1224 CG1 VAL A 84 4.853 4.567 -12.234 1.00 15.00 C ATOM 1225 CG2 VAL A 84 6.752 5.013 -13.796 1.00 15.00 C ATOM 0 H VAL A 84 8.328 2.452 -12.480 1.00 15.00 H new ATOM 0 HA VAL A 84 7.466 4.969 -11.204 1.00 15.00 H new ATOM 0 HB VAL A 84 6.076 3.088 -13.149 1.00 15.00 H new ATOM 0 HG11 VAL A 84 4.167 4.636 -13.078 1.00 15.00 H new ATOM 0 HG12 VAL A 84 4.457 3.864 -11.501 1.00 15.00 H new ATOM 0 HG13 VAL A 84 4.961 5.549 -11.773 1.00 15.00 H new ATOM 0 HG21 VAL A 84 6.032 5.085 -14.611 1.00 15.00 H new ATOM 0 HG22 VAL A 84 6.918 6.003 -13.370 1.00 15.00 H new ATOM 0 HG23 VAL A 84 7.694 4.620 -14.177 1.00 15.00 H new ATOM 1235 N VAL A 85 5.746 3.858 -9.640 1.00 15.00 N ATOM 1236 CA VAL A 85 5.077 3.229 -8.517 1.00 15.00 C ATOM 1237 C VAL A 85 3.668 2.791 -8.912 1.00 15.00 C ATOM 1238 O VAL A 85 2.689 3.488 -8.649 1.00 15.00 O ATOM 1239 CB VAL A 85 5.024 4.194 -7.309 1.00 15.00 C ATOM 1240 CG1 VAL A 85 3.933 3.804 -6.323 1.00 15.00 C ATOM 1241 CG2 VAL A 85 6.379 4.250 -6.619 1.00 15.00 C ATOM 0 H VAL A 85 5.509 4.841 -9.777 1.00 15.00 H new ATOM 0 HA VAL A 85 5.645 2.345 -8.228 1.00 15.00 H new ATOM 0 HB VAL A 85 4.780 5.187 -7.687 1.00 15.00 H new ATOM 0 HG11 VAL A 85 3.928 4.506 -5.489 1.00 15.00 H new ATOM 0 HG12 VAL A 85 2.965 3.828 -6.823 1.00 15.00 H new ATOM 0 HG13 VAL A 85 4.123 2.798 -5.949 1.00 15.00 H new ATOM 0 HG21 VAL A 85 6.327 4.933 -5.771 1.00 15.00 H new ATOM 0 HG22 VAL A 85 6.650 3.254 -6.268 1.00 15.00 H new ATOM 0 HG23 VAL A 85 7.132 4.603 -7.324 1.00 15.00 H new ATOM 1251 N HIS A 86 3.581 1.626 -9.548 1.00 15.00 N ATOM 1252 CA HIS A 86 2.297 1.082 -9.981 1.00 15.00 C ATOM 1253 C HIS A 86 1.834 -0.010 -9.025 1.00 15.00 C ATOM 1254 O HIS A 86 2.080 -1.195 -9.251 1.00 15.00 O ATOM 1255 CB HIS A 86 2.405 0.525 -11.401 1.00 15.00 C ATOM 1256 CG HIS A 86 1.095 0.471 -12.125 1.00 15.00 C ATOM 1257 ND1 HIS A 86 -0.084 0.936 -11.583 1.00 15.00 N ATOM 1258 CD2 HIS A 86 0.782 0.003 -13.357 1.00 15.00 C ATOM 1259 CE1 HIS A 86 -1.066 0.756 -12.449 1.00 15.00 C ATOM 1260 NE2 HIS A 86 -0.566 0.193 -13.533 1.00 15.00 N ATOM 0 H HIS A 86 4.385 1.040 -9.775 1.00 15.00 H new ATOM 0 HA HIS A 86 1.563 1.887 -9.976 1.00 15.00 H new ATOM 0 HB2 HIS A 86 3.101 1.140 -11.972 1.00 15.00 H new ATOM 0 HB3 HIS A 86 2.828 -0.479 -11.358 1.00 15.00 H new ATOM 0 HD2 HIS A 86 1.465 -0.437 -14.068 1.00 15.00 H new ATOM 0 HE1 HIS A 86 -2.101 1.024 -12.296 1.00 15.00 H new ATOM 0 HE2 HIS A 86 -1.096 -0.060 -14.367 1.00 15.00 H new ATOM 1269 N LEU A 87 1.177 0.402 -7.948 1.00 15.00 N ATOM 1270 CA LEU A 87 0.693 -0.531 -6.941 1.00 15.00 C ATOM 1271 C LEU A 87 -0.812 -0.753 -7.051 1.00 15.00 C ATOM 1272 O LEU A 87 -1.594 0.189 -6.960 1.00 15.00 O ATOM 1273 CB LEU A 87 1.035 -0.004 -5.548 1.00 15.00 C ATOM 1274 CG LEU A 87 1.983 -0.887 -4.744 1.00 15.00 C ATOM 1275 CD1 LEU A 87 3.090 -0.056 -4.110 1.00 15.00 C ATOM 1276 CD2 LEU A 87 1.213 -1.656 -3.681 1.00 15.00 C ATOM 0 H LEU A 87 0.967 1.380 -7.750 1.00 15.00 H new ATOM 0 HA LEU A 87 1.184 -1.489 -7.109 1.00 15.00 H new ATOM 0 HB2 LEU A 87 1.481 0.986 -5.649 1.00 15.00 H new ATOM 0 HB3 LEU A 87 0.110 0.119 -4.984 1.00 15.00 H new ATOM 0 HG LEU A 87 2.446 -1.603 -5.423 1.00 15.00 H new ATOM 0 HD11 LEU A 87 3.754 -0.707 -3.542 1.00 15.00 H new ATOM 0 HD12 LEU A 87 3.658 0.449 -4.891 1.00 15.00 H new ATOM 0 HD13 LEU A 87 2.651 0.686 -3.443 1.00 15.00 H new ATOM 0 HD21 LEU A 87 1.902 -2.282 -3.114 1.00 15.00 H new ATOM 0 HD22 LEU A 87 0.723 -0.953 -3.007 1.00 15.00 H new ATOM 0 HD23 LEU A 87 0.461 -2.284 -4.159 1.00 15.00 H new ATOM 1288 N LEU A 88 -1.213 -2.008 -7.221 1.00 15.00 N ATOM 1289 CA LEU A 88 -2.628 -2.351 -7.314 1.00 15.00 C ATOM 1290 C LEU A 88 -3.127 -2.831 -5.958 1.00 15.00 C ATOM 1291 O LEU A 88 -2.870 -3.965 -5.555 1.00 15.00 O ATOM 1292 CB LEU A 88 -2.849 -3.426 -8.379 1.00 15.00 C ATOM 1293 CG LEU A 88 -2.993 -2.902 -9.810 1.00 15.00 C ATOM 1294 CD1 LEU A 88 -1.987 -1.791 -10.081 1.00 15.00 C ATOM 1295 CD2 LEU A 88 -2.820 -4.035 -10.810 1.00 15.00 C ATOM 0 H LEU A 88 -0.580 -2.804 -7.297 1.00 15.00 H new ATOM 0 HA LEU A 88 -3.191 -1.465 -7.606 1.00 15.00 H new ATOM 0 HB2 LEU A 88 -2.013 -4.125 -8.347 1.00 15.00 H new ATOM 0 HB3 LEU A 88 -3.746 -3.990 -8.123 1.00 15.00 H new ATOM 0 HG LEU A 88 -3.995 -2.489 -9.925 1.00 15.00 H new ATOM 0 HD11 LEU A 88 -2.107 -1.433 -11.104 1.00 15.00 H new ATOM 0 HD12 LEU A 88 -2.157 -0.968 -9.386 1.00 15.00 H new ATOM 0 HD13 LEU A 88 -0.976 -2.175 -9.947 1.00 15.00 H new ATOM 0 HD21 LEU A 88 -2.925 -3.646 -11.823 1.00 15.00 H new ATOM 0 HD22 LEU A 88 -1.830 -4.477 -10.692 1.00 15.00 H new ATOM 0 HD23 LEU A 88 -3.580 -4.796 -10.633 1.00 15.00 H new ATOM 1307 N LEU A 89 -3.816 -1.948 -5.249 1.00 15.00 N ATOM 1308 CA LEU A 89 -4.324 -2.264 -3.920 1.00 15.00 C ATOM 1309 C LEU A 89 -5.830 -2.491 -3.925 1.00 15.00 C ATOM 1310 O LEU A 89 -6.442 -2.720 -4.969 1.00 15.00 O ATOM 1311 CB LEU A 89 -3.988 -1.134 -2.943 1.00 15.00 C ATOM 1312 CG LEU A 89 -2.972 -0.120 -3.451 1.00 15.00 C ATOM 1313 CD1 LEU A 89 -2.910 1.081 -2.527 1.00 15.00 C ATOM 1314 CD2 LEU A 89 -1.612 -0.771 -3.581 1.00 15.00 C ATOM 0 H LEU A 89 -4.037 -1.006 -5.572 1.00 15.00 H new ATOM 0 HA LEU A 89 -3.841 -3.188 -3.602 1.00 15.00 H new ATOM 0 HB2 LEU A 89 -4.908 -0.607 -2.691 1.00 15.00 H new ATOM 0 HB3 LEU A 89 -3.609 -1.573 -2.020 1.00 15.00 H new ATOM 0 HG LEU A 89 -3.285 0.229 -4.435 1.00 15.00 H new ATOM 0 HD11 LEU A 89 -2.179 1.795 -2.906 1.00 15.00 H new ATOM 0 HD12 LEU A 89 -3.890 1.556 -2.481 1.00 15.00 H new ATOM 0 HD13 LEU A 89 -2.617 0.757 -1.528 1.00 15.00 H new ATOM 0 HD21 LEU A 89 -0.891 -0.039 -3.945 1.00 15.00 H new ATOM 0 HD22 LEU A 89 -1.292 -1.142 -2.608 1.00 15.00 H new ATOM 0 HD23 LEU A 89 -1.672 -1.602 -4.284 1.00 15.00 H new ATOM 1326 N GLU A 90 -6.413 -2.407 -2.735 1.00 15.00 N ATOM 1327 CA GLU A 90 -7.847 -2.578 -2.552 1.00 15.00 C ATOM 1328 C GLU A 90 -8.347 -1.623 -1.472 1.00 15.00 C ATOM 1329 O GLU A 90 -7.739 -1.505 -0.408 1.00 15.00 O ATOM 1330 CB GLU A 90 -8.167 -4.034 -2.185 1.00 15.00 C ATOM 1331 CG GLU A 90 -9.349 -4.199 -1.239 1.00 15.00 C ATOM 1332 CD GLU A 90 -9.696 -5.654 -0.988 1.00 15.00 C ATOM 1333 OE1 GLU A 90 -8.765 -6.455 -0.760 1.00 15.00 O ATOM 1334 OE2 GLU A 90 -10.898 -5.992 -1.019 1.00 15.00 O ATOM 0 H GLU A 90 -5.904 -2.219 -1.871 1.00 15.00 H new ATOM 0 HA GLU A 90 -8.358 -2.345 -3.486 1.00 15.00 H new ATOM 0 HB2 GLU A 90 -8.369 -4.591 -3.100 1.00 15.00 H new ATOM 0 HB3 GLU A 90 -7.285 -4.483 -1.727 1.00 15.00 H new ATOM 0 HG2 GLU A 90 -9.120 -3.715 -0.290 1.00 15.00 H new ATOM 0 HG3 GLU A 90 -10.217 -3.689 -1.656 1.00 15.00 H new ATOM 1341 N LYS A 91 -9.451 -0.938 -1.752 1.00 15.00 N ATOM 1342 CA LYS A 91 -10.022 0.011 -0.802 1.00 15.00 C ATOM 1343 C LYS A 91 -10.101 -0.591 0.599 1.00 15.00 C ATOM 1344 O LYS A 91 -10.940 -1.448 0.874 1.00 15.00 O ATOM 1345 CB LYS A 91 -11.411 0.452 -1.263 1.00 15.00 C ATOM 1346 CG LYS A 91 -11.883 1.745 -0.618 1.00 15.00 C ATOM 1347 CD LYS A 91 -11.065 2.937 -1.088 1.00 15.00 C ATOM 1348 CE LYS A 91 -11.409 3.319 -2.518 1.00 15.00 C ATOM 1349 NZ LYS A 91 -12.555 4.268 -2.579 1.00 15.00 N ATOM 0 H LYS A 91 -9.968 -1.022 -2.627 1.00 15.00 H new ATOM 0 HA LYS A 91 -9.367 0.881 -0.762 1.00 15.00 H new ATOM 0 HB2 LYS A 91 -11.403 0.578 -2.346 1.00 15.00 H new ATOM 0 HB3 LYS A 91 -12.127 -0.339 -1.039 1.00 15.00 H new ATOM 0 HG2 LYS A 91 -12.934 1.908 -0.856 1.00 15.00 H new ATOM 0 HG3 LYS A 91 -11.811 1.659 0.466 1.00 15.00 H new ATOM 0 HD2 LYS A 91 -11.246 3.787 -0.430 1.00 15.00 H new ATOM 0 HD3 LYS A 91 -10.003 2.701 -1.019 1.00 15.00 H new ATOM 0 HE2 LYS A 91 -10.538 3.771 -2.993 1.00 15.00 H new ATOM 0 HE3 LYS A 91 -11.651 2.420 -3.086 1.00 15.00 H new ATOM 0 HZ1 LYS A 91 -12.758 4.504 -3.571 1.00 15.00 H new ATOM 0 HZ2 LYS A 91 -13.393 3.828 -2.149 1.00 15.00 H new ATOM 0 HZ3 LYS A 91 -12.315 5.136 -2.059 1.00 15.00 H new ATOM 1363 N GLY A 92 -9.212 -0.136 1.477 1.00 15.00 N ATOM 1364 CA GLY A 92 -9.185 -0.639 2.838 1.00 15.00 C ATOM 1365 C GLY A 92 -10.375 -0.179 3.657 1.00 15.00 C ATOM 1366 O GLY A 92 -11.385 0.259 3.106 1.00 15.00 O ATOM 0 H GLY A 92 -8.509 0.573 1.269 1.00 15.00 H new ATOM 0 HA2 GLY A 92 -9.163 -1.729 2.818 1.00 15.00 H new ATOM 0 HA3 GLY A 92 -8.266 -0.311 3.324 1.00 15.00 H new