USER MOD reduce.3.24.130724 H: found=0, std=0, add=657, rem=0, adj=17 USER MOD reduce.3.24.130724 removed 661 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 74 ASN : amide:sc= -2.67! C(o=-3.4!,f=-3.6!) USER MOD Set 1.2: A 98 THR OG1 : rot -54:sc= -0.729 USER MOD Set 2.1: A 27 LYS NZ :NH3+ 167:sc= 2.15 (180deg=1.93) USER MOD Set 2.2: A 31 ASN : amide:sc= -3.02! X(o=-0.87!,f=-0.48) USER MOD Single : A 22 LYS NZ :NH3+ -170:sc= 0 (180deg=-0.121) USER MOD Single : A 24 THR OG1 : rot 41:sc= 0.408 USER MOD Single : A 26 GLN : amide:sc=-0.00691 K(o=-0.0069,f=-0.94) USER MOD Single : A 30 GLN : amide:sc= -1.6! K(o=-1.6!,f=-0.65) USER MOD Single : A 36 SER OG : rot 18:sc= 0.0221 USER MOD Single : A 51 GLN : amide:sc= 0 K(o=0,f=-0.82) USER MOD Single : A 55 ASN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 56 THR OG1 : rot -179:sc= 0.0434 USER MOD Single : A 63 THR OG1 : rot -64:sc= 1.15 USER MOD Single : A 71 THR OG1 : rot -32:sc= 0.814 USER MOD Single : A 77 SER OG : rot 180:sc= 0 USER MOD Single : A 79 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 81 LYS NZ :NH3+ 146:sc= 1.26 (180deg=0.953) USER MOD Single : A 82 THR OG1 : rot -80:sc= -0.287! USER MOD Single : A 83 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 88 LYS NZ :NH3+ -134:sc= 0.927 (180deg=-0.212) USER MOD Single : A 89 MET CE :methyl -158:sc= -0.797 (180deg=-1.52) USER MOD Single : A 91 GLN : amide:sc= 0.238 X(o=0.24,f=0) USER MOD Single : A 94 LYS NZ :NH3+ -166:sc= -0.0599 (180deg=-0.34) USER MOD Single : A 100 HIS : no HE2:sc= -4.74! C(o=-4.7!,f=-5.1!) USER MOD Single : A 101 TYR OH : rot 30:sc= -0.181 USER MOD Single : A 102 ASN : amide:sc= -2.42! K(o=-2.4!,f=-3.2) USER MOD Single : A 109 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 110 GLN : amide:sc= -0.316 X(o=-0.32,f=-0.56) USER MOD Single : A 127 LYS NZ :NH3+ 159:sc= -0.0673 (180deg=-0.459) USER MOD ----------------------------------------------------------------- ATOM 112 N LYS A 22 1.876 4.926 9.140 1.00 0.00 N ATOM 113 CA LYS A 22 0.828 4.467 8.247 1.00 0.00 C ATOM 114 C LYS A 22 -0.030 5.635 7.786 1.00 0.00 C ATOM 115 O LYS A 22 -0.231 6.596 8.530 1.00 0.00 O ATOM 116 CB LYS A 22 -0.064 3.435 8.944 1.00 0.00 C ATOM 117 CG LYS A 22 -0.763 3.971 10.184 1.00 0.00 C ATOM 118 CD LYS A 22 -1.876 3.047 10.640 1.00 0.00 C ATOM 119 CE LYS A 22 -2.532 3.549 11.914 1.00 0.00 C ATOM 120 NZ LYS A 22 -1.611 3.475 13.080 1.00 0.00 N ATOM 0 HA LYS A 22 1.306 4.005 7.383 1.00 0.00 H new ATOM 0 HB2 LYS A 22 -0.815 3.081 8.238 1.00 0.00 H new ATOM 0 HB3 LYS A 22 0.542 2.573 9.223 1.00 0.00 H new ATOM 0 HG2 LYS A 22 -0.037 4.092 10.988 1.00 0.00 H new ATOM 0 HG3 LYS A 22 -1.173 4.959 9.973 1.00 0.00 H new ATOM 0 HD2 LYS A 22 -2.625 2.963 9.853 1.00 0.00 H new ATOM 0 HD3 LYS A 22 -1.475 2.047 10.806 1.00 0.00 H new ATOM 0 HE2 LYS A 22 -2.857 4.580 11.773 1.00 0.00 H new ATOM 0 HE3 LYS A 22 -3.425 2.959 12.119 1.00 0.00 H new ATOM 0 HZ1 LYS A 22 -2.142 3.664 13.954 1.00 0.00 H new ATOM 0 HZ2 LYS A 22 -1.189 2.526 13.129 1.00 0.00 H new ATOM 0 HZ3 LYS A 22 -0.858 4.184 12.973 1.00 0.00 H new ATOM 134 N VAL A 23 -0.525 5.557 6.562 1.00 0.00 N ATOM 135 CA VAL A 23 -1.506 6.526 6.095 1.00 0.00 C ATOM 136 C VAL A 23 -2.773 5.796 5.680 1.00 0.00 C ATOM 137 O VAL A 23 -2.710 4.691 5.137 1.00 0.00 O ATOM 138 CB VAL A 23 -0.986 7.424 4.936 1.00 0.00 C ATOM 139 CG1 VAL A 23 0.187 8.264 5.405 1.00 0.00 C ATOM 140 CG2 VAL A 23 -0.590 6.614 3.712 1.00 0.00 C ATOM 0 H VAL A 23 -0.269 4.843 5.880 1.00 0.00 H new ATOM 0 HA VAL A 23 -1.714 7.202 6.924 1.00 0.00 H new ATOM 0 HB VAL A 23 -1.808 8.078 4.643 1.00 0.00 H new ATOM 0 HG11 VAL A 23 0.540 8.887 4.583 1.00 0.00 H new ATOM 0 HG12 VAL A 23 -0.128 8.899 6.233 1.00 0.00 H new ATOM 0 HG13 VAL A 23 0.993 7.610 5.737 1.00 0.00 H new ATOM 0 HG21 VAL A 23 -0.234 7.286 2.931 1.00 0.00 H new ATOM 0 HG22 VAL A 23 0.203 5.915 3.979 1.00 0.00 H new ATOM 0 HG23 VAL A 23 -1.455 6.060 3.347 1.00 0.00 H new ATOM 150 N THR A 24 -3.920 6.375 5.982 1.00 0.00 N ATOM 151 CA THR A 24 -5.175 5.729 5.666 1.00 0.00 C ATOM 152 C THR A 24 -5.898 6.453 4.538 1.00 0.00 C ATOM 153 O THR A 24 -6.223 7.639 4.630 1.00 0.00 O ATOM 154 CB THR A 24 -6.099 5.598 6.903 1.00 0.00 C ATOM 155 OG1 THR A 24 -7.316 4.929 6.533 1.00 0.00 O ATOM 156 CG2 THR A 24 -6.422 6.954 7.518 1.00 0.00 C ATOM 0 H THR A 24 -4.007 7.282 6.441 1.00 0.00 H new ATOM 0 HA THR A 24 -4.930 4.720 5.333 1.00 0.00 H new ATOM 0 HB THR A 24 -5.567 5.013 7.653 1.00 0.00 H new ATOM 0 HG1 THR A 24 -7.111 4.193 5.920 1.00 0.00 H new ATOM 0 HG21 THR A 24 -7.072 6.816 8.382 1.00 0.00 H new ATOM 0 HG22 THR A 24 -5.498 7.440 7.832 1.00 0.00 H new ATOM 0 HG23 THR A 24 -6.927 7.577 6.780 1.00 0.00 H new ATOM 164 N LEU A 25 -6.121 5.726 3.459 1.00 0.00 N ATOM 165 CA LEU A 25 -6.832 6.247 2.308 1.00 0.00 C ATOM 166 C LEU A 25 -8.011 5.338 2.000 1.00 0.00 C ATOM 167 O LEU A 25 -8.365 4.476 2.806 1.00 0.00 O ATOM 168 CB LEU A 25 -5.911 6.337 1.080 1.00 0.00 C ATOM 169 CG LEU A 25 -4.765 7.353 1.158 1.00 0.00 C ATOM 170 CD1 LEU A 25 -5.258 8.697 1.665 1.00 0.00 C ATOM 171 CD2 LEU A 25 -3.628 6.832 2.020 1.00 0.00 C ATOM 0 H LEU A 25 -5.814 4.759 3.356 1.00 0.00 H new ATOM 0 HA LEU A 25 -7.183 7.252 2.540 1.00 0.00 H new ATOM 0 HB2 LEU A 25 -5.481 5.351 0.903 1.00 0.00 H new ATOM 0 HB3 LEU A 25 -6.523 6.579 0.211 1.00 0.00 H new ATOM 0 HG LEU A 25 -4.381 7.496 0.148 1.00 0.00 H new ATOM 0 HD11 LEU A 25 -4.424 9.397 1.710 1.00 0.00 H new ATOM 0 HD12 LEU A 25 -6.020 9.084 0.989 1.00 0.00 H new ATOM 0 HD13 LEU A 25 -5.684 8.576 2.661 1.00 0.00 H new ATOM 0 HD21 LEU A 25 -2.830 7.574 2.057 1.00 0.00 H new ATOM 0 HD22 LEU A 25 -3.994 6.642 3.029 1.00 0.00 H new ATOM 0 HD23 LEU A 25 -3.243 5.906 1.594 1.00 0.00 H new ATOM 183 N GLN A 26 -8.598 5.520 0.835 1.00 0.00 N ATOM 184 CA GLN A 26 -9.735 4.732 0.420 1.00 0.00 C ATOM 185 C GLN A 26 -9.525 4.226 -0.984 1.00 0.00 C ATOM 186 O GLN A 26 -9.012 4.937 -1.842 1.00 0.00 O ATOM 187 CB GLN A 26 -11.027 5.537 0.515 1.00 0.00 C ATOM 188 CG GLN A 26 -11.499 5.714 1.943 1.00 0.00 C ATOM 189 CD GLN A 26 -12.675 6.659 2.065 1.00 0.00 C ATOM 190 OE1 GLN A 26 -12.840 7.574 1.261 1.00 0.00 O ATOM 191 NE2 GLN A 26 -13.495 6.452 3.081 1.00 0.00 N ATOM 0 H GLN A 26 -8.300 6.217 0.152 1.00 0.00 H new ATOM 0 HA GLN A 26 -9.827 3.879 1.093 1.00 0.00 H new ATOM 0 HB2 GLN A 26 -10.874 6.517 0.063 1.00 0.00 H new ATOM 0 HB3 GLN A 26 -11.805 5.037 -0.062 1.00 0.00 H new ATOM 0 HG2 GLN A 26 -11.777 4.742 2.351 1.00 0.00 H new ATOM 0 HG3 GLN A 26 -10.674 6.089 2.548 1.00 0.00 H new ATOM 0 HE21 GLN A 26 -13.323 5.681 3.726 1.00 0.00 H new ATOM 0 HE22 GLN A 26 -14.300 7.063 3.220 1.00 0.00 H new ATOM 200 N LYS A 27 -9.922 2.987 -1.175 1.00 0.00 N ATOM 201 CA LYS A 27 -9.745 2.260 -2.429 1.00 0.00 C ATOM 202 C LYS A 27 -10.114 3.093 -3.655 1.00 0.00 C ATOM 203 O LYS A 27 -11.054 3.892 -3.642 1.00 0.00 O ATOM 204 CB LYS A 27 -10.628 1.023 -2.416 1.00 0.00 C ATOM 205 CG LYS A 27 -10.501 0.187 -1.157 1.00 0.00 C ATOM 206 CD LYS A 27 -9.297 -0.725 -1.207 1.00 0.00 C ATOM 207 CE LYS A 27 -9.708 -2.162 -0.957 1.00 0.00 C ATOM 208 NZ LYS A 27 -10.594 -2.676 -2.033 1.00 0.00 N ATOM 0 H LYS A 27 -10.388 2.438 -0.452 1.00 0.00 H new ATOM 0 HA LYS A 27 -8.688 2.003 -2.501 1.00 0.00 H new ATOM 0 HB2 LYS A 27 -11.667 1.330 -2.533 1.00 0.00 H new ATOM 0 HB3 LYS A 27 -10.380 0.403 -3.278 1.00 0.00 H new ATOM 0 HG2 LYS A 27 -10.423 0.844 -0.291 1.00 0.00 H new ATOM 0 HG3 LYS A 27 -11.404 -0.410 -1.024 1.00 0.00 H new ATOM 0 HD2 LYS A 27 -8.812 -0.643 -2.180 1.00 0.00 H new ATOM 0 HD3 LYS A 27 -8.567 -0.414 -0.460 1.00 0.00 H new ATOM 0 HE2 LYS A 27 -8.818 -2.788 -0.888 1.00 0.00 H new ATOM 0 HE3 LYS A 27 -10.222 -2.232 0.002 1.00 0.00 H new ATOM 0 HZ1 LYS A 27 -10.676 -3.709 -1.951 1.00 0.00 H new ATOM 0 HZ2 LYS A 27 -11.536 -2.245 -1.942 1.00 0.00 H new ATOM 0 HZ3 LYS A 27 -10.191 -2.433 -2.960 1.00 0.00 H new ATOM 222 N ASP A 28 -9.368 2.851 -4.712 1.00 0.00 N ATOM 223 CA ASP A 28 -9.563 3.499 -6.004 1.00 0.00 C ATOM 224 C ASP A 28 -10.691 2.794 -6.762 1.00 0.00 C ATOM 225 O ASP A 28 -11.250 1.821 -6.255 1.00 0.00 O ATOM 226 CB ASP A 28 -8.236 3.437 -6.786 1.00 0.00 C ATOM 227 CG ASP A 28 -8.294 4.048 -8.173 1.00 0.00 C ATOM 228 OD1 ASP A 28 -8.190 5.283 -8.291 1.00 0.00 O ATOM 229 OD2 ASP A 28 -8.438 3.288 -9.151 1.00 0.00 O ATOM 0 H ASP A 28 -8.593 2.187 -4.703 1.00 0.00 H new ATOM 0 HA ASP A 28 -9.848 4.543 -5.875 1.00 0.00 H new ATOM 0 HB2 ASP A 28 -7.465 3.948 -6.210 1.00 0.00 H new ATOM 0 HB3 ASP A 28 -7.929 2.395 -6.874 1.00 0.00 H new ATOM 234 N ALA A 29 -11.029 3.256 -7.960 1.00 0.00 N ATOM 235 CA ALA A 29 -12.048 2.594 -8.771 1.00 0.00 C ATOM 236 C ALA A 29 -11.620 1.168 -9.116 1.00 0.00 C ATOM 237 O ALA A 29 -12.449 0.309 -9.416 1.00 0.00 O ATOM 238 CB ALA A 29 -12.312 3.384 -10.040 1.00 0.00 C ATOM 0 H ALA A 29 -10.615 4.083 -8.391 1.00 0.00 H new ATOM 0 HA ALA A 29 -12.969 2.548 -8.190 1.00 0.00 H new ATOM 0 HB1 ALA A 29 -13.074 2.877 -10.632 1.00 0.00 H new ATOM 0 HB2 ALA A 29 -12.660 4.384 -9.780 1.00 0.00 H new ATOM 0 HB3 ALA A 29 -11.392 3.459 -10.620 1.00 0.00 H new ATOM 244 N GLN A 30 -10.319 0.924 -9.042 1.00 0.00 N ATOM 245 CA GLN A 30 -9.753 -0.376 -9.308 1.00 0.00 C ATOM 246 C GLN A 30 -9.699 -1.190 -8.024 1.00 0.00 C ATOM 247 O GLN A 30 -9.026 -2.213 -7.946 1.00 0.00 O ATOM 248 CB GLN A 30 -8.364 -0.164 -9.844 1.00 0.00 C ATOM 249 CG GLN A 30 -8.173 -0.564 -11.293 1.00 0.00 C ATOM 250 CD GLN A 30 -6.715 -0.519 -11.702 1.00 0.00 C ATOM 251 OE1 GLN A 30 -6.216 0.510 -12.160 1.00 0.00 O ATOM 252 NE2 GLN A 30 -6.017 -1.632 -11.527 1.00 0.00 N ATOM 0 H GLN A 30 -9.628 1.632 -8.793 1.00 0.00 H new ATOM 0 HA GLN A 30 -10.362 -0.921 -10.030 1.00 0.00 H new ATOM 0 HB2 GLN A 30 -8.105 0.889 -9.736 1.00 0.00 H new ATOM 0 HB3 GLN A 30 -7.663 -0.730 -9.230 1.00 0.00 H new ATOM 0 HG2 GLN A 30 -8.563 -1.570 -11.447 1.00 0.00 H new ATOM 0 HG3 GLN A 30 -8.751 0.103 -11.933 1.00 0.00 H new ATOM 0 HE21 GLN A 30 -6.469 -2.463 -11.145 1.00 0.00 H new ATOM 0 HE22 GLN A 30 -5.028 -1.658 -11.775 1.00 0.00 H new ATOM 261 N ASN A 31 -10.377 -0.660 -7.013 1.00 0.00 N ATOM 262 CA ASN A 31 -10.516 -1.260 -5.686 1.00 0.00 C ATOM 263 C ASN A 31 -9.163 -1.565 -5.048 1.00 0.00 C ATOM 264 O ASN A 31 -9.031 -2.454 -4.206 1.00 0.00 O ATOM 265 CB ASN A 31 -11.457 -2.481 -5.706 1.00 0.00 C ATOM 266 CG ASN A 31 -10.855 -3.790 -6.193 1.00 0.00 C ATOM 267 OD1 ASN A 31 -10.824 -4.068 -7.391 1.00 0.00 O ATOM 268 ND2 ASN A 31 -10.444 -4.636 -5.265 1.00 0.00 N ATOM 0 H ASN A 31 -10.864 0.232 -7.095 1.00 0.00 H new ATOM 0 HA ASN A 31 -10.990 -0.517 -5.045 1.00 0.00 H new ATOM 0 HB2 ASN A 31 -11.839 -2.635 -4.697 1.00 0.00 H new ATOM 0 HB3 ASN A 31 -12.313 -2.243 -6.337 1.00 0.00 H new ATOM 0 HD21 ASN A 31 -10.087 -5.553 -5.533 1.00 0.00 H new ATOM 0 HD22 ASN A 31 -10.484 -4.372 -4.281 1.00 0.00 H new ATOM 275 N LEU A 32 -8.178 -0.769 -5.418 1.00 0.00 N ATOM 276 CA LEU A 32 -6.834 -0.877 -4.862 1.00 0.00 C ATOM 277 C LEU A 32 -6.321 0.488 -4.431 1.00 0.00 C ATOM 278 O LEU A 32 -7.102 1.432 -4.324 1.00 0.00 O ATOM 279 CB LEU A 32 -5.890 -1.513 -5.894 1.00 0.00 C ATOM 280 CG LEU A 32 -6.081 -1.057 -7.345 1.00 0.00 C ATOM 281 CD1 LEU A 32 -5.710 0.407 -7.535 1.00 0.00 C ATOM 282 CD2 LEU A 32 -5.267 -1.930 -8.282 1.00 0.00 C ATOM 0 H LEU A 32 -8.282 -0.028 -6.112 1.00 0.00 H new ATOM 0 HA LEU A 32 -6.869 -1.516 -3.980 1.00 0.00 H new ATOM 0 HB2 LEU A 32 -4.863 -1.300 -5.598 1.00 0.00 H new ATOM 0 HB3 LEU A 32 -6.015 -2.595 -5.854 1.00 0.00 H new ATOM 0 HG LEU A 32 -7.139 -1.161 -7.584 1.00 0.00 H new ATOM 0 HD11 LEU A 32 -5.860 0.688 -8.577 1.00 0.00 H new ATOM 0 HD12 LEU A 32 -6.340 1.028 -6.897 1.00 0.00 H new ATOM 0 HD13 LEU A 32 -4.664 0.555 -7.266 1.00 0.00 H new ATOM 0 HD21 LEU A 32 -5.412 -1.595 -9.309 1.00 0.00 H new ATOM 0 HD22 LEU A 32 -4.211 -1.857 -8.022 1.00 0.00 H new ATOM 0 HD23 LEU A 32 -5.593 -2.966 -8.189 1.00 0.00 H new ATOM 294 N ILE A 33 -5.024 0.601 -4.179 1.00 0.00 N ATOM 295 CA ILE A 33 -4.459 1.859 -3.760 1.00 0.00 C ATOM 296 C ILE A 33 -3.705 2.554 -4.888 1.00 0.00 C ATOM 297 O ILE A 33 -3.629 3.782 -4.920 1.00 0.00 O ATOM 298 CB ILE A 33 -3.529 1.685 -2.555 1.00 0.00 C ATOM 299 CG1 ILE A 33 -3.472 0.218 -2.114 1.00 0.00 C ATOM 300 CG2 ILE A 33 -4.020 2.569 -1.422 1.00 0.00 C ATOM 301 CD1 ILE A 33 -2.416 -0.055 -1.062 1.00 0.00 C ATOM 0 H ILE A 33 -4.353 -0.163 -4.259 1.00 0.00 H new ATOM 0 HA ILE A 33 -5.301 2.488 -3.470 1.00 0.00 H new ATOM 0 HB ILE A 33 -2.518 1.981 -2.835 1.00 0.00 H new ATOM 0 HG12 ILE A 33 -4.447 -0.074 -1.724 1.00 0.00 H new ATOM 0 HG13 ILE A 33 -3.277 -0.408 -2.985 1.00 0.00 H new ATOM 0 HG21 ILE A 33 -3.364 2.452 -0.559 1.00 0.00 H new ATOM 0 HG22 ILE A 33 -4.014 3.610 -1.744 1.00 0.00 H new ATOM 0 HG23 ILE A 33 -5.035 2.280 -1.148 1.00 0.00 H new ATOM 0 HD11 ILE A 33 -2.431 -1.112 -0.797 1.00 0.00 H new ATOM 0 HD12 ILE A 33 -1.434 0.206 -1.456 1.00 0.00 H new ATOM 0 HD13 ILE A 33 -2.622 0.545 -0.175 1.00 0.00 H new ATOM 313 N GLY A 34 -3.163 1.775 -5.817 1.00 0.00 N ATOM 314 CA GLY A 34 -2.456 2.357 -6.948 1.00 0.00 C ATOM 315 C GLY A 34 -0.949 2.390 -6.761 1.00 0.00 C ATOM 316 O GLY A 34 -0.296 3.363 -7.147 1.00 0.00 O ATOM 0 H GLY A 34 -3.199 0.756 -5.810 1.00 0.00 H new ATOM 0 HA2 GLY A 34 -2.691 1.787 -7.847 1.00 0.00 H new ATOM 0 HA3 GLY A 34 -2.818 3.372 -7.110 1.00 0.00 H new ATOM 320 N ILE A 35 -0.398 1.347 -6.156 1.00 0.00 N ATOM 321 CA ILE A 35 1.048 1.235 -5.971 1.00 0.00 C ATOM 322 C ILE A 35 1.580 -0.098 -6.458 1.00 0.00 C ATOM 323 O ILE A 35 0.834 -0.974 -6.901 1.00 0.00 O ATOM 324 CB ILE A 35 1.448 1.409 -4.490 1.00 0.00 C ATOM 325 CG1 ILE A 35 0.577 0.546 -3.575 1.00 0.00 C ATOM 326 CG2 ILE A 35 1.357 2.859 -4.087 1.00 0.00 C ATOM 327 CD1 ILE A 35 1.062 -0.873 -3.420 1.00 0.00 C ATOM 0 H ILE A 35 -0.931 0.561 -5.782 1.00 0.00 H new ATOM 0 HA ILE A 35 1.488 2.036 -6.565 1.00 0.00 H new ATOM 0 HB ILE A 35 2.481 1.078 -4.381 1.00 0.00 H new ATOM 0 HG12 ILE A 35 0.530 1.012 -2.591 1.00 0.00 H new ATOM 0 HG13 ILE A 35 -0.439 0.530 -3.968 1.00 0.00 H new ATOM 0 HG21 ILE A 35 1.642 2.964 -3.040 1.00 0.00 H new ATOM 0 HG22 ILE A 35 2.029 3.452 -4.708 1.00 0.00 H new ATOM 0 HG23 ILE A 35 0.334 3.210 -4.221 1.00 0.00 H new ATOM 0 HD11 ILE A 35 0.390 -1.417 -2.756 1.00 0.00 H new ATOM 0 HD12 ILE A 35 1.081 -1.359 -4.395 1.00 0.00 H new ATOM 0 HD13 ILE A 35 2.066 -0.870 -2.996 1.00 0.00 H new ATOM 339 N SER A 36 2.883 -0.228 -6.361 1.00 0.00 N ATOM 340 CA SER A 36 3.572 -1.462 -6.649 1.00 0.00 C ATOM 341 C SER A 36 4.648 -1.689 -5.614 1.00 0.00 C ATOM 342 O SER A 36 5.482 -0.823 -5.386 1.00 0.00 O ATOM 343 CB SER A 36 4.174 -1.434 -8.053 1.00 0.00 C ATOM 344 OG SER A 36 3.172 -1.670 -9.019 1.00 0.00 O ATOM 0 H SER A 36 3.501 0.531 -6.076 1.00 0.00 H new ATOM 0 HA SER A 36 2.857 -2.284 -6.610 1.00 0.00 H new ATOM 0 HB2 SER A 36 4.645 -0.468 -8.235 1.00 0.00 H new ATOM 0 HB3 SER A 36 4.955 -2.190 -8.137 1.00 0.00 H new ATOM 0 HG SER A 36 2.290 -1.523 -8.618 1.00 0.00 H new ATOM 350 N ILE A 37 4.609 -2.837 -4.971 1.00 0.00 N ATOM 351 CA ILE A 37 5.596 -3.161 -3.950 1.00 0.00 C ATOM 352 C ILE A 37 6.505 -4.280 -4.479 1.00 0.00 C ATOM 353 O ILE A 37 6.485 -4.586 -5.669 1.00 0.00 O ATOM 354 CB ILE A 37 4.902 -3.548 -2.602 1.00 0.00 C ATOM 355 CG1 ILE A 37 3.810 -2.532 -2.266 1.00 0.00 C ATOM 356 CG2 ILE A 37 5.886 -3.609 -1.433 1.00 0.00 C ATOM 357 CD1 ILE A 37 2.999 -2.891 -1.037 1.00 0.00 C ATOM 0 H ILE A 37 3.910 -3.562 -5.133 1.00 0.00 H new ATOM 0 HA ILE A 37 6.210 -2.286 -3.736 1.00 0.00 H new ATOM 0 HB ILE A 37 4.477 -4.542 -2.742 1.00 0.00 H new ATOM 0 HG12 ILE A 37 4.269 -1.555 -2.114 1.00 0.00 H new ATOM 0 HG13 ILE A 37 3.138 -2.439 -3.119 1.00 0.00 H new ATOM 0 HG21 ILE A 37 5.353 -3.882 -0.522 1.00 0.00 H new ATOM 0 HG22 ILE A 37 6.653 -4.355 -1.641 1.00 0.00 H new ATOM 0 HG23 ILE A 37 6.355 -2.634 -1.301 1.00 0.00 H new ATOM 0 HD11 ILE A 37 2.245 -2.124 -0.862 1.00 0.00 H new ATOM 0 HD12 ILE A 37 2.510 -3.853 -1.192 1.00 0.00 H new ATOM 0 HD13 ILE A 37 3.659 -2.955 -0.172 1.00 0.00 H new ATOM 369 N GLY A 38 7.295 -4.861 -3.613 1.00 0.00 N ATOM 370 CA GLY A 38 8.240 -5.884 -3.990 1.00 0.00 C ATOM 371 C GLY A 38 8.998 -6.338 -2.771 1.00 0.00 C ATOM 372 O GLY A 38 9.657 -5.531 -2.117 1.00 0.00 O ATOM 0 H GLY A 38 7.302 -4.637 -2.618 1.00 0.00 H new ATOM 0 HA2 GLY A 38 7.718 -6.727 -4.443 1.00 0.00 H new ATOM 0 HA3 GLY A 38 8.931 -5.498 -4.739 1.00 0.00 H new ATOM 514 N ILE A 49 8.834 -0.147 -2.294 1.00 0.00 N ATOM 515 CA ILE A 49 7.803 0.293 -3.220 1.00 0.00 C ATOM 516 C ILE A 49 8.450 0.670 -4.555 1.00 0.00 C ATOM 517 O ILE A 49 9.413 1.441 -4.611 1.00 0.00 O ATOM 518 CB ILE A 49 6.960 1.458 -2.625 1.00 0.00 C ATOM 519 CG1 ILE A 49 5.677 1.695 -3.434 1.00 0.00 C ATOM 520 CG2 ILE A 49 7.773 2.737 -2.557 1.00 0.00 C ATOM 521 CD1 ILE A 49 5.810 2.765 -4.498 1.00 0.00 C ATOM 0 HA ILE A 49 7.105 -0.526 -3.394 1.00 0.00 H new ATOM 0 HB ILE A 49 6.677 1.167 -1.613 1.00 0.00 H new ATOM 0 HG12 ILE A 49 5.381 0.760 -3.909 1.00 0.00 H new ATOM 0 HG13 ILE A 49 4.875 1.974 -2.751 1.00 0.00 H new ATOM 0 HG21 ILE A 49 7.161 3.535 -2.138 1.00 0.00 H new ATOM 0 HG22 ILE A 49 8.647 2.580 -1.925 1.00 0.00 H new ATOM 0 HG23 ILE A 49 8.096 3.016 -3.560 1.00 0.00 H new ATOM 0 HD11 ILE A 49 4.862 2.873 -5.026 1.00 0.00 H new ATOM 0 HD12 ILE A 49 6.075 3.713 -4.030 1.00 0.00 H new ATOM 0 HD13 ILE A 49 6.589 2.480 -5.206 1.00 0.00 H new ATOM 533 N VAL A 50 7.935 0.083 -5.621 1.00 0.00 N ATOM 534 CA VAL A 50 8.543 0.191 -6.937 1.00 0.00 C ATOM 535 C VAL A 50 7.968 1.354 -7.736 1.00 0.00 C ATOM 536 O VAL A 50 8.702 2.048 -8.439 1.00 0.00 O ATOM 537 CB VAL A 50 8.354 -1.117 -7.738 1.00 0.00 C ATOM 538 CG1 VAL A 50 9.104 -1.063 -9.063 1.00 0.00 C ATOM 539 CG2 VAL A 50 8.802 -2.315 -6.916 1.00 0.00 C ATOM 0 H VAL A 50 7.085 -0.481 -5.600 1.00 0.00 H new ATOM 0 HA VAL A 50 9.606 0.373 -6.778 1.00 0.00 H new ATOM 0 HB VAL A 50 7.292 -1.227 -7.959 1.00 0.00 H new ATOM 0 HG11 VAL A 50 8.953 -1.997 -9.605 1.00 0.00 H new ATOM 0 HG12 VAL A 50 8.728 -0.232 -9.660 1.00 0.00 H new ATOM 0 HG13 VAL A 50 10.168 -0.922 -8.873 1.00 0.00 H new ATOM 0 HG21 VAL A 50 8.662 -3.227 -7.496 1.00 0.00 H new ATOM 0 HG22 VAL A 50 9.856 -2.207 -6.659 1.00 0.00 H new ATOM 0 HG23 VAL A 50 8.210 -2.371 -6.002 1.00 0.00 H new ATOM 549 N GLN A 51 6.665 1.588 -7.622 1.00 0.00 N ATOM 550 CA GLN A 51 6.024 2.599 -8.444 1.00 0.00 C ATOM 551 C GLN A 51 4.721 3.050 -7.818 1.00 0.00 C ATOM 552 O GLN A 51 4.058 2.290 -7.108 1.00 0.00 O ATOM 553 CB GLN A 51 5.766 2.076 -9.870 1.00 0.00 C ATOM 554 CG GLN A 51 4.293 1.887 -10.201 1.00 0.00 C ATOM 555 CD GLN A 51 4.059 1.519 -11.647 1.00 0.00 C ATOM 556 OE1 GLN A 51 4.814 1.919 -12.535 1.00 0.00 O ATOM 557 NE2 GLN A 51 3.011 0.762 -11.897 1.00 0.00 N ATOM 0 H GLN A 51 6.043 1.098 -6.978 1.00 0.00 H new ATOM 0 HA GLN A 51 6.701 3.451 -8.506 1.00 0.00 H new ATOM 0 HB2 GLN A 51 6.203 2.772 -10.586 1.00 0.00 H new ATOM 0 HB3 GLN A 51 6.282 1.124 -9.996 1.00 0.00 H new ATOM 0 HG2 GLN A 51 3.879 1.108 -9.561 1.00 0.00 H new ATOM 0 HG3 GLN A 51 3.754 2.806 -9.973 1.00 0.00 H new ATOM 0 HE21 GLN A 51 2.411 0.452 -11.132 1.00 0.00 H new ATOM 0 HE22 GLN A 51 2.799 0.485 -12.856 1.00 0.00 H new ATOM 566 N VAL A 52 4.378 4.290 -8.076 1.00 0.00 N ATOM 567 CA VAL A 52 3.101 4.839 -7.678 1.00 0.00 C ATOM 568 C VAL A 52 2.599 5.748 -8.786 1.00 0.00 C ATOM 569 O VAL A 52 3.379 6.195 -9.626 1.00 0.00 O ATOM 570 CB VAL A 52 3.198 5.627 -6.356 1.00 0.00 C ATOM 571 CG1 VAL A 52 3.893 6.961 -6.562 1.00 0.00 C ATOM 572 CG2 VAL A 52 1.826 5.831 -5.747 1.00 0.00 C ATOM 0 H VAL A 52 4.979 4.950 -8.570 1.00 0.00 H new ATOM 0 HA VAL A 52 2.407 4.016 -7.511 1.00 0.00 H new ATOM 0 HB VAL A 52 3.798 5.037 -5.662 1.00 0.00 H new ATOM 0 HG11 VAL A 52 3.947 7.494 -5.613 1.00 0.00 H new ATOM 0 HG12 VAL A 52 4.901 6.791 -6.940 1.00 0.00 H new ATOM 0 HG13 VAL A 52 3.331 7.557 -7.281 1.00 0.00 H new ATOM 0 HG21 VAL A 52 1.921 6.389 -4.816 1.00 0.00 H new ATOM 0 HG22 VAL A 52 1.199 6.389 -6.442 1.00 0.00 H new ATOM 0 HG23 VAL A 52 1.370 4.862 -5.544 1.00 0.00 H new ATOM 582 N PHE A 53 1.312 6.011 -8.799 1.00 0.00 N ATOM 583 CA PHE A 53 0.743 6.902 -9.795 1.00 0.00 C ATOM 584 C PHE A 53 0.627 8.310 -9.215 1.00 0.00 C ATOM 585 O PHE A 53 1.545 8.766 -8.527 1.00 0.00 O ATOM 586 CB PHE A 53 -0.602 6.356 -10.276 1.00 0.00 C ATOM 587 CG PHE A 53 -0.484 4.979 -10.872 1.00 0.00 C ATOM 588 CD1 PHE A 53 0.022 4.804 -12.149 1.00 0.00 C ATOM 589 CD2 PHE A 53 -0.856 3.858 -10.146 1.00 0.00 C ATOM 590 CE1 PHE A 53 0.148 3.539 -12.692 1.00 0.00 C ATOM 591 CE2 PHE A 53 -0.731 2.592 -10.684 1.00 0.00 C ATOM 592 CZ PHE A 53 -0.227 2.432 -11.958 1.00 0.00 C ATOM 0 H PHE A 53 0.639 5.625 -8.137 1.00 0.00 H new ATOM 0 HA PHE A 53 1.397 6.958 -10.666 1.00 0.00 H new ATOM 0 HB2 PHE A 53 -1.300 6.328 -9.439 1.00 0.00 H new ATOM 0 HB3 PHE A 53 -1.022 7.035 -11.018 1.00 0.00 H new ATOM 0 HD1 PHE A 53 0.322 5.666 -12.727 1.00 0.00 H new ATOM 0 HD2 PHE A 53 -1.249 3.976 -9.147 1.00 0.00 H new ATOM 0 HE1 PHE A 53 0.540 3.417 -13.691 1.00 0.00 H new ATOM 0 HE2 PHE A 53 -1.028 1.728 -10.108 1.00 0.00 H new ATOM 0 HZ PHE A 53 -0.126 1.443 -12.380 1.00 0.00 H new ATOM 602 N ASP A 54 -0.462 9.015 -9.481 1.00 0.00 N ATOM 603 CA ASP A 54 -0.639 10.338 -8.884 1.00 0.00 C ATOM 604 C ASP A 54 -2.049 10.561 -8.351 1.00 0.00 C ATOM 605 O ASP A 54 -2.231 11.242 -7.350 1.00 0.00 O ATOM 606 CB ASP A 54 -0.292 11.422 -9.894 1.00 0.00 C ATOM 607 CG ASP A 54 -0.186 12.789 -9.249 1.00 0.00 C ATOM 608 OD1 ASP A 54 0.844 13.064 -8.598 1.00 0.00 O ATOM 609 OD2 ASP A 54 -1.130 13.592 -9.383 1.00 0.00 O ATOM 0 H ASP A 54 -1.221 8.708 -10.089 1.00 0.00 H new ATOM 0 HA ASP A 54 0.040 10.392 -8.033 1.00 0.00 H new ATOM 0 HB2 ASP A 54 0.653 11.176 -10.379 1.00 0.00 H new ATOM 0 HB3 ASP A 54 -1.053 11.448 -10.674 1.00 0.00 H new ATOM 614 N ASN A 55 -3.034 9.982 -9.007 1.00 0.00 N ATOM 615 CA ASN A 55 -4.427 10.201 -8.650 1.00 0.00 C ATOM 616 C ASN A 55 -4.969 9.020 -7.875 1.00 0.00 C ATOM 617 O ASN A 55 -6.151 8.967 -7.540 1.00 0.00 O ATOM 618 CB ASN A 55 -5.280 10.456 -9.894 1.00 0.00 C ATOM 619 CG ASN A 55 -4.980 11.797 -10.529 1.00 0.00 C ATOM 620 OD1 ASN A 55 -5.579 12.814 -10.174 1.00 0.00 O ATOM 621 ND2 ASN A 55 -4.055 11.814 -11.474 1.00 0.00 N ATOM 0 H ASN A 55 -2.897 9.351 -9.797 1.00 0.00 H new ATOM 0 HA ASN A 55 -4.475 11.087 -8.017 1.00 0.00 H new ATOM 0 HB2 ASN A 55 -5.104 9.664 -10.622 1.00 0.00 H new ATOM 0 HB3 ASN A 55 -6.335 10.412 -9.624 1.00 0.00 H new ATOM 0 HD21 ASN A 55 -3.815 12.691 -11.937 1.00 0.00 H new ATOM 0 HD22 ASN A 55 -3.581 10.951 -11.740 1.00 0.00 H new ATOM 628 N THR A 56 -4.097 8.073 -7.583 1.00 0.00 N ATOM 629 CA THR A 56 -4.478 6.925 -6.816 1.00 0.00 C ATOM 630 C THR A 56 -4.334 7.299 -5.372 1.00 0.00 C ATOM 631 O THR A 56 -3.438 8.073 -5.051 1.00 0.00 O ATOM 632 CB THR A 56 -3.598 5.703 -7.130 1.00 0.00 C ATOM 633 OG1 THR A 56 -2.224 5.981 -6.821 1.00 0.00 O ATOM 634 CG2 THR A 56 -3.710 5.336 -8.588 1.00 0.00 C ATOM 0 H THR A 56 -3.119 8.086 -7.871 1.00 0.00 H new ATOM 0 HA THR A 56 -5.502 6.644 -7.061 1.00 0.00 H new ATOM 0 HB THR A 56 -3.945 4.871 -6.518 1.00 0.00 H new ATOM 0 HG1 THR A 56 -1.675 5.199 -7.039 1.00 0.00 H new ATOM 0 HG21 THR A 56 -3.082 4.470 -8.794 1.00 0.00 H new ATOM 0 HG22 THR A 56 -4.747 5.097 -8.824 1.00 0.00 H new ATOM 0 HG23 THR A 56 -3.383 6.176 -9.201 1.00 0.00 H new ATOM 642 N PRO A 57 -5.200 6.823 -4.489 1.00 0.00 N ATOM 643 CA PRO A 57 -5.199 7.275 -3.105 1.00 0.00 C ATOM 644 C PRO A 57 -3.820 7.164 -2.479 1.00 0.00 C ATOM 645 O PRO A 57 -3.378 8.056 -1.750 1.00 0.00 O ATOM 646 CB PRO A 57 -6.201 6.349 -2.410 1.00 0.00 C ATOM 647 CG PRO A 57 -6.446 5.233 -3.377 1.00 0.00 C ATOM 648 CD PRO A 57 -6.234 5.818 -4.741 1.00 0.00 C ATOM 0 HA PRO A 57 -5.468 8.327 -3.015 1.00 0.00 H new ATOM 0 HB2 PRO A 57 -5.801 5.973 -1.469 1.00 0.00 H new ATOM 0 HB3 PRO A 57 -7.126 6.876 -2.175 1.00 0.00 H new ATOM 0 HG2 PRO A 57 -5.762 4.403 -3.197 1.00 0.00 H new ATOM 0 HG3 PRO A 57 -7.458 4.841 -3.273 1.00 0.00 H new ATOM 0 HD2 PRO A 57 -5.905 5.067 -5.460 1.00 0.00 H new ATOM 0 HD3 PRO A 57 -7.146 6.263 -5.139 1.00 0.00 H new ATOM 656 N ALA A 58 -3.144 6.084 -2.824 1.00 0.00 N ATOM 657 CA ALA A 58 -1.774 5.842 -2.408 1.00 0.00 C ATOM 658 C ALA A 58 -0.852 6.956 -2.856 1.00 0.00 C ATOM 659 O ALA A 58 0.003 7.418 -2.105 1.00 0.00 O ATOM 660 CB ALA A 58 -1.294 4.556 -3.015 1.00 0.00 C ATOM 0 H ALA A 58 -3.534 5.343 -3.406 1.00 0.00 H new ATOM 0 HA ALA A 58 -1.758 5.792 -1.319 1.00 0.00 H new ATOM 0 HB1 ALA A 58 -0.266 4.369 -2.706 1.00 0.00 H new ATOM 0 HB2 ALA A 58 -1.928 3.736 -2.679 1.00 0.00 H new ATOM 0 HB3 ALA A 58 -1.339 4.628 -4.102 1.00 0.00 H new ATOM 666 N ALA A 59 -0.999 7.360 -4.102 1.00 0.00 N ATOM 667 CA ALA A 59 -0.178 8.417 -4.635 1.00 0.00 C ATOM 668 C ALA A 59 -0.577 9.762 -4.058 1.00 0.00 C ATOM 669 O ALA A 59 0.216 10.426 -3.390 1.00 0.00 O ATOM 670 CB ALA A 59 -0.319 8.456 -6.134 1.00 0.00 C ATOM 0 H ALA A 59 -1.677 6.972 -4.758 1.00 0.00 H new ATOM 0 HA ALA A 59 0.858 8.217 -4.361 1.00 0.00 H new ATOM 0 HB1 ALA A 59 0.302 9.256 -6.537 1.00 0.00 H new ATOM 0 HB2 ALA A 59 -0.000 7.502 -6.554 1.00 0.00 H new ATOM 0 HB3 ALA A 59 -1.361 8.638 -6.397 1.00 0.00 H new ATOM 676 N LEU A 60 -1.822 10.137 -4.312 1.00 0.00 N ATOM 677 CA LEU A 60 -2.265 11.510 -4.074 1.00 0.00 C ATOM 678 C LEU A 60 -2.183 11.996 -2.621 1.00 0.00 C ATOM 679 O LEU A 60 -1.332 12.826 -2.296 1.00 0.00 O ATOM 680 CB LEU A 60 -3.604 11.793 -4.781 1.00 0.00 C ATOM 681 CG LEU A 60 -4.929 11.563 -4.107 1.00 0.00 C ATOM 682 CD1 LEU A 60 -4.894 10.212 -3.537 1.00 0.00 C ATOM 683 CD2 LEU A 60 -5.251 12.652 -3.107 1.00 0.00 C ATOM 0 H LEU A 60 -2.543 9.517 -4.681 1.00 0.00 H new ATOM 0 HA LEU A 60 -1.519 12.148 -4.547 1.00 0.00 H new ATOM 0 HB2 LEU A 60 -3.584 12.840 -5.084 1.00 0.00 H new ATOM 0 HB3 LEU A 60 -3.609 11.197 -5.694 1.00 0.00 H new ATOM 0 HG LEU A 60 -5.750 11.621 -4.821 1.00 0.00 H new ATOM 0 HD11 LEU A 60 -5.840 10.004 -3.037 1.00 0.00 H new ATOM 0 HD12 LEU A 60 -4.737 9.485 -4.334 1.00 0.00 H new ATOM 0 HD13 LEU A 60 -4.079 10.142 -2.816 1.00 0.00 H new ATOM 0 HD21 LEU A 60 -6.216 12.447 -2.644 1.00 0.00 H new ATOM 0 HD22 LEU A 60 -4.478 12.681 -2.339 1.00 0.00 H new ATOM 0 HD23 LEU A 60 -5.291 13.614 -3.617 1.00 0.00 H new ATOM 695 N ASP A 61 -3.036 11.504 -1.758 1.00 0.00 N ATOM 696 CA ASP A 61 -3.031 11.903 -0.360 1.00 0.00 C ATOM 697 C ASP A 61 -2.169 10.918 0.372 1.00 0.00 C ATOM 698 O ASP A 61 -1.893 11.034 1.568 1.00 0.00 O ATOM 699 CB ASP A 61 -4.456 11.917 0.200 1.00 0.00 C ATOM 700 CG ASP A 61 -4.555 12.584 1.558 1.00 0.00 C ATOM 701 OD1 ASP A 61 -4.409 13.825 1.628 1.00 0.00 O ATOM 702 OD2 ASP A 61 -4.807 11.878 2.558 1.00 0.00 O ATOM 0 H ASP A 61 -3.753 10.819 -1.996 1.00 0.00 H new ATOM 0 HA ASP A 61 -2.638 12.913 -0.242 1.00 0.00 H new ATOM 0 HB2 ASP A 61 -5.110 12.435 -0.501 1.00 0.00 H new ATOM 0 HB3 ASP A 61 -4.819 10.892 0.278 1.00 0.00 H new ATOM 707 N GLY A 62 -1.744 9.944 -0.403 1.00 0.00 N ATOM 708 CA GLY A 62 -1.054 8.790 0.155 1.00 0.00 C ATOM 709 C GLY A 62 0.349 9.097 0.642 1.00 0.00 C ATOM 710 O GLY A 62 0.643 8.931 1.822 1.00 0.00 O ATOM 0 H GLY A 62 -1.861 9.923 -1.416 1.00 0.00 H new ATOM 0 HA2 GLY A 62 -1.639 8.394 0.985 1.00 0.00 H new ATOM 0 HA3 GLY A 62 -1.004 8.007 -0.601 1.00 0.00 H new ATOM 714 N THR A 63 1.200 9.511 -0.294 1.00 0.00 N ATOM 715 CA THR A 63 2.605 9.897 -0.049 1.00 0.00 C ATOM 716 C THR A 63 3.461 8.667 0.199 1.00 0.00 C ATOM 717 O THR A 63 4.525 8.718 0.815 1.00 0.00 O ATOM 718 CB THR A 63 2.779 10.939 1.087 1.00 0.00 C ATOM 719 OG1 THR A 63 2.590 10.357 2.385 1.00 0.00 O ATOM 720 CG2 THR A 63 1.784 12.060 0.888 1.00 0.00 C ATOM 0 H THR A 63 0.932 9.593 -1.275 1.00 0.00 H new ATOM 0 HA THR A 63 2.947 10.394 -0.957 1.00 0.00 H new ATOM 0 HB THR A 63 3.800 11.319 1.041 1.00 0.00 H new ATOM 0 HG1 THR A 63 1.665 10.047 2.473 1.00 0.00 H new ATOM 0 HG21 THR A 63 1.901 12.796 1.683 1.00 0.00 H new ATOM 0 HG22 THR A 63 1.961 12.537 -0.076 1.00 0.00 H new ATOM 0 HG23 THR A 63 0.772 11.657 0.913 1.00 0.00 H new ATOM 728 N VAL A 64 2.965 7.560 -0.304 1.00 0.00 N ATOM 729 CA VAL A 64 3.697 6.298 -0.309 1.00 0.00 C ATOM 730 C VAL A 64 4.309 6.068 -1.687 1.00 0.00 C ATOM 731 O VAL A 64 4.177 5.002 -2.291 1.00 0.00 O ATOM 732 CB VAL A 64 2.786 5.115 0.062 1.00 0.00 C ATOM 733 CG1 VAL A 64 2.310 5.245 1.493 1.00 0.00 C ATOM 734 CG2 VAL A 64 1.599 5.054 -0.877 1.00 0.00 C ATOM 0 H VAL A 64 2.038 7.501 -0.725 1.00 0.00 H new ATOM 0 HA VAL A 64 4.485 6.360 0.441 1.00 0.00 H new ATOM 0 HB VAL A 64 3.359 4.193 -0.033 1.00 0.00 H new ATOM 0 HG11 VAL A 64 1.667 4.401 1.741 1.00 0.00 H new ATOM 0 HG12 VAL A 64 3.170 5.255 2.163 1.00 0.00 H new ATOM 0 HG13 VAL A 64 1.750 6.173 1.607 1.00 0.00 H new ATOM 0 HG21 VAL A 64 0.962 4.213 -0.604 1.00 0.00 H new ATOM 0 HG22 VAL A 64 1.029 5.980 -0.803 1.00 0.00 H new ATOM 0 HG23 VAL A 64 1.951 4.925 -1.901 1.00 0.00 H new ATOM 744 N ALA A 65 4.995 7.084 -2.166 1.00 0.00 N ATOM 745 CA ALA A 65 5.467 7.116 -3.537 1.00 0.00 C ATOM 746 C ALA A 65 6.785 6.371 -3.708 1.00 0.00 C ATOM 747 O ALA A 65 7.381 5.903 -2.737 1.00 0.00 O ATOM 748 CB ALA A 65 5.610 8.559 -4.000 1.00 0.00 C ATOM 0 H ALA A 65 5.241 7.909 -1.619 1.00 0.00 H new ATOM 0 HA ALA A 65 4.727 6.606 -4.154 1.00 0.00 H new ATOM 0 HB1 ALA A 65 5.965 8.577 -5.030 1.00 0.00 H new ATOM 0 HB2 ALA A 65 4.643 9.058 -3.941 1.00 0.00 H new ATOM 0 HB3 ALA A 65 6.325 9.077 -3.361 1.00 0.00 H new ATOM 754 N ALA A 66 7.222 6.270 -4.958 1.00 0.00 N ATOM 755 CA ALA A 66 8.393 5.484 -5.320 1.00 0.00 C ATOM 756 C ALA A 66 9.630 5.935 -4.554 1.00 0.00 C ATOM 757 O ALA A 66 9.920 7.129 -4.464 1.00 0.00 O ATOM 758 CB ALA A 66 8.634 5.575 -6.817 1.00 0.00 C ATOM 0 H ALA A 66 6.773 6.732 -5.749 1.00 0.00 H new ATOM 0 HA ALA A 66 8.200 4.446 -5.049 1.00 0.00 H new ATOM 0 HB1 ALA A 66 9.512 4.985 -7.081 1.00 0.00 H new ATOM 0 HB2 ALA A 66 7.764 5.190 -7.350 1.00 0.00 H new ATOM 0 HB3 ALA A 66 8.799 6.616 -7.096 1.00 0.00 H new ATOM 764 N GLY A 67 10.350 4.974 -3.998 1.00 0.00 N ATOM 765 CA GLY A 67 11.547 5.288 -3.248 1.00 0.00 C ATOM 766 C GLY A 67 11.420 4.931 -1.783 1.00 0.00 C ATOM 767 O GLY A 67 12.414 4.904 -1.058 1.00 0.00 O ATOM 0 H GLY A 67 10.126 3.980 -4.053 1.00 0.00 H new ATOM 0 HA2 GLY A 67 12.393 4.752 -3.678 1.00 0.00 H new ATOM 0 HA3 GLY A 67 11.763 6.352 -3.342 1.00 0.00 H new ATOM 771 N ASP A 68 10.197 4.663 -1.344 1.00 0.00 N ATOM 772 CA ASP A 68 9.957 4.277 0.040 1.00 0.00 C ATOM 773 C ASP A 68 9.899 2.764 0.174 1.00 0.00 C ATOM 774 O ASP A 68 10.114 2.031 -0.795 1.00 0.00 O ATOM 775 CB ASP A 68 8.648 4.882 0.551 1.00 0.00 C ATOM 776 CG ASP A 68 8.745 6.367 0.826 1.00 0.00 C ATOM 777 OD1 ASP A 68 9.759 6.811 1.403 1.00 0.00 O ATOM 778 OD2 ASP A 68 7.786 7.098 0.507 1.00 0.00 O ATOM 0 H ASP A 68 9.359 4.706 -1.924 1.00 0.00 H new ATOM 0 HA ASP A 68 10.784 4.657 0.639 1.00 0.00 H new ATOM 0 HB2 ASP A 68 7.863 4.706 -0.184 1.00 0.00 H new ATOM 0 HB3 ASP A 68 8.350 4.368 1.465 1.00 0.00 H new ATOM 783 N GLU A 69 9.603 2.298 1.377 1.00 0.00 N ATOM 784 CA GLU A 69 9.477 0.874 1.634 1.00 0.00 C ATOM 785 C GLU A 69 8.195 0.593 2.412 1.00 0.00 C ATOM 786 O GLU A 69 7.690 1.465 3.125 1.00 0.00 O ATOM 787 CB GLU A 69 10.692 0.365 2.406 1.00 0.00 C ATOM 788 CG GLU A 69 12.012 0.575 1.681 1.00 0.00 C ATOM 789 CD GLU A 69 13.188 -0.008 2.434 1.00 0.00 C ATOM 790 OE1 GLU A 69 13.494 0.491 3.539 1.00 0.00 O ATOM 791 OE2 GLU A 69 13.824 -0.950 1.914 1.00 0.00 O ATOM 0 H GLU A 69 9.445 2.889 2.193 1.00 0.00 H new ATOM 0 HA GLU A 69 9.429 0.348 0.681 1.00 0.00 H new ATOM 0 HB2 GLU A 69 10.734 0.869 3.372 1.00 0.00 H new ATOM 0 HB3 GLU A 69 10.564 -0.699 2.607 1.00 0.00 H new ATOM 0 HG2 GLU A 69 11.956 0.119 0.693 1.00 0.00 H new ATOM 0 HG3 GLU A 69 12.174 1.642 1.531 1.00 0.00 H new ATOM 798 N ILE A 70 7.672 -0.620 2.270 1.00 0.00 N ATOM 799 CA ILE A 70 6.400 -0.991 2.890 1.00 0.00 C ATOM 800 C ILE A 70 6.605 -2.206 3.791 1.00 0.00 C ATOM 801 O ILE A 70 7.343 -3.124 3.436 1.00 0.00 O ATOM 802 CB ILE A 70 5.321 -1.325 1.830 1.00 0.00 C ATOM 803 CG1 ILE A 70 5.251 -0.241 0.747 1.00 0.00 C ATOM 804 CG2 ILE A 70 3.956 -1.504 2.490 1.00 0.00 C ATOM 805 CD1 ILE A 70 4.818 1.114 1.255 1.00 0.00 C ATOM 0 H ILE A 70 8.109 -1.367 1.730 1.00 0.00 H new ATOM 0 HA ILE A 70 6.054 -0.138 3.473 1.00 0.00 H new ATOM 0 HB ILE A 70 5.604 -2.263 1.352 1.00 0.00 H new ATOM 0 HG12 ILE A 70 6.231 -0.145 0.280 1.00 0.00 H new ATOM 0 HG13 ILE A 70 4.558 -0.564 -0.030 1.00 0.00 H new ATOM 0 HG21 ILE A 70 3.212 -1.738 1.729 1.00 0.00 H new ATOM 0 HG22 ILE A 70 4.005 -2.319 3.212 1.00 0.00 H new ATOM 0 HG23 ILE A 70 3.675 -0.583 3.001 1.00 0.00 H new ATOM 0 HD11 ILE A 70 4.795 1.823 0.427 1.00 0.00 H new ATOM 0 HD12 ILE A 70 3.824 1.037 1.695 1.00 0.00 H new ATOM 0 HD13 ILE A 70 5.523 1.462 2.010 1.00 0.00 H new ATOM 817 N THR A 71 5.955 -2.221 4.950 1.00 0.00 N ATOM 818 CA THR A 71 6.167 -3.295 5.908 1.00 0.00 C ATOM 819 C THR A 71 4.850 -3.896 6.429 1.00 0.00 C ATOM 820 O THR A 71 4.867 -4.839 7.227 1.00 0.00 O ATOM 821 CB THR A 71 7.032 -2.810 7.098 1.00 0.00 C ATOM 822 OG1 THR A 71 7.208 -3.865 8.055 1.00 0.00 O ATOM 823 CG2 THR A 71 6.403 -1.600 7.777 1.00 0.00 C ATOM 0 H THR A 71 5.285 -1.510 5.245 1.00 0.00 H new ATOM 0 HA THR A 71 6.696 -4.084 5.373 1.00 0.00 H new ATOM 0 HB THR A 71 8.005 -2.519 6.703 1.00 0.00 H new ATOM 0 HG1 THR A 71 6.413 -4.438 8.061 1.00 0.00 H new ATOM 0 HG21 THR A 71 7.032 -1.282 8.608 1.00 0.00 H new ATOM 0 HG22 THR A 71 6.312 -0.786 7.058 1.00 0.00 H new ATOM 0 HG23 THR A 71 5.414 -1.866 8.151 1.00 0.00 H new ATOM 831 N GLY A 72 3.711 -3.380 5.982 1.00 0.00 N ATOM 832 CA GLY A 72 2.453 -3.919 6.462 1.00 0.00 C ATOM 833 C GLY A 72 1.268 -3.599 5.574 1.00 0.00 C ATOM 834 O GLY A 72 1.154 -2.496 5.038 1.00 0.00 O ATOM 0 H GLY A 72 3.635 -2.615 5.311 1.00 0.00 H new ATOM 0 HA2 GLY A 72 2.544 -5.001 6.553 1.00 0.00 H new ATOM 0 HA3 GLY A 72 2.260 -3.530 7.462 1.00 0.00 H new ATOM 838 N VAL A 73 0.376 -4.573 5.452 1.00 0.00 N ATOM 839 CA VAL A 73 -0.806 -4.473 4.640 1.00 0.00 C ATOM 840 C VAL A 73 -2.028 -4.250 5.531 1.00 0.00 C ATOM 841 O VAL A 73 -2.345 -5.083 6.375 1.00 0.00 O ATOM 842 CB VAL A 73 -0.984 -5.767 3.810 1.00 0.00 C ATOM 843 CG1 VAL A 73 -0.415 -6.975 4.541 1.00 0.00 C ATOM 844 CG2 VAL A 73 -2.438 -6.017 3.541 1.00 0.00 C ATOM 0 H VAL A 73 0.466 -5.470 5.930 1.00 0.00 H new ATOM 0 HA VAL A 73 -0.703 -3.628 3.960 1.00 0.00 H new ATOM 0 HB VAL A 73 -0.446 -5.628 2.872 1.00 0.00 H new ATOM 0 HG11 VAL A 73 -0.555 -7.868 3.932 1.00 0.00 H new ATOM 0 HG12 VAL A 73 0.649 -6.823 4.722 1.00 0.00 H new ATOM 0 HG13 VAL A 73 -0.931 -7.100 5.493 1.00 0.00 H new ATOM 0 HG21 VAL A 73 -2.548 -6.930 2.956 1.00 0.00 H new ATOM 0 HG22 VAL A 73 -2.970 -6.125 4.486 1.00 0.00 H new ATOM 0 HG23 VAL A 73 -2.855 -5.178 2.984 1.00 0.00 H new ATOM 854 N ASN A 74 -2.683 -3.108 5.363 1.00 0.00 N ATOM 855 CA ASN A 74 -3.897 -2.779 6.119 1.00 0.00 C ATOM 856 C ASN A 74 -3.657 -2.908 7.628 1.00 0.00 C ATOM 857 O ASN A 74 -4.562 -3.229 8.399 1.00 0.00 O ATOM 858 CB ASN A 74 -5.069 -3.674 5.689 1.00 0.00 C ATOM 859 CG ASN A 74 -6.413 -3.136 6.153 1.00 0.00 C ATOM 860 OD1 ASN A 74 -6.629 -1.926 6.209 1.00 0.00 O ATOM 861 ND2 ASN A 74 -7.320 -4.032 6.497 1.00 0.00 N ATOM 0 H ASN A 74 -2.395 -2.384 4.705 1.00 0.00 H new ATOM 0 HA ASN A 74 -4.154 -1.743 5.899 1.00 0.00 H new ATOM 0 HB2 ASN A 74 -5.073 -3.765 4.603 1.00 0.00 H new ATOM 0 HB3 ASN A 74 -4.924 -4.676 6.092 1.00 0.00 H new ATOM 0 HD21 ASN A 74 -8.238 -3.729 6.823 1.00 0.00 H new ATOM 0 HD22 ASN A 74 -7.103 -5.027 6.437 1.00 0.00 H new ATOM 868 N GLY A 75 -2.422 -2.668 8.040 1.00 0.00 N ATOM 869 CA GLY A 75 -2.091 -2.696 9.449 1.00 0.00 C ATOM 870 C GLY A 75 -1.417 -3.979 9.897 1.00 0.00 C ATOM 871 O GLY A 75 -0.727 -3.988 10.917 1.00 0.00 O ATOM 0 H GLY A 75 -1.640 -2.454 7.421 1.00 0.00 H new ATOM 0 HA2 GLY A 75 -1.436 -1.855 9.675 1.00 0.00 H new ATOM 0 HA3 GLY A 75 -3.003 -2.554 10.029 1.00 0.00 H new ATOM 875 N ARG A 76 -1.585 -5.061 9.147 1.00 0.00 N ATOM 876 CA ARG A 76 -0.988 -6.317 9.508 1.00 0.00 C ATOM 877 C ARG A 76 0.274 -6.562 8.693 1.00 0.00 C ATOM 878 O ARG A 76 0.344 -6.201 7.524 1.00 0.00 O ATOM 879 CB ARG A 76 -2.006 -7.430 9.307 1.00 0.00 C ATOM 880 CG ARG A 76 -2.595 -7.502 7.915 1.00 0.00 C ATOM 881 CD ARG A 76 -3.835 -8.383 7.867 1.00 0.00 C ATOM 882 NE ARG A 76 -3.571 -9.739 8.350 1.00 0.00 N ATOM 883 CZ ARG A 76 -4.175 -10.831 7.875 1.00 0.00 C ATOM 884 NH1 ARG A 76 -5.076 -10.731 6.907 1.00 0.00 N ATOM 885 NH2 ARG A 76 -3.876 -12.025 8.374 1.00 0.00 N ATOM 0 H ARG A 76 -2.132 -5.082 8.286 1.00 0.00 H new ATOM 0 HA ARG A 76 -0.696 -6.296 10.558 1.00 0.00 H new ATOM 0 HB2 ARG A 76 -1.531 -8.384 9.536 1.00 0.00 H new ATOM 0 HB3 ARG A 76 -2.816 -7.297 10.024 1.00 0.00 H new ATOM 0 HG2 ARG A 76 -2.850 -6.498 7.577 1.00 0.00 H new ATOM 0 HG3 ARG A 76 -1.847 -7.891 7.224 1.00 0.00 H new ATOM 0 HD2 ARG A 76 -4.623 -7.932 8.470 1.00 0.00 H new ATOM 0 HD3 ARG A 76 -4.205 -8.430 6.843 1.00 0.00 H new ATOM 0 HE ARG A 76 -2.884 -9.857 9.095 1.00 0.00 H new ATOM 0 HH11 ARG A 76 -5.311 -9.816 6.521 1.00 0.00 H new ATOM 0 HH12 ARG A 76 -5.534 -11.569 6.548 1.00 0.00 H new ATOM 0 HH21 ARG A 76 -3.185 -12.108 9.120 1.00 0.00 H new ATOM 0 HH22 ARG A 76 -4.337 -12.859 8.011 1.00 0.00 H new ATOM 899 N SER A 77 1.276 -7.156 9.327 1.00 0.00 N ATOM 900 CA SER A 77 2.566 -7.396 8.690 1.00 0.00 C ATOM 901 C SER A 77 2.417 -8.271 7.443 1.00 0.00 C ATOM 902 O SER A 77 1.511 -9.103 7.351 1.00 0.00 O ATOM 903 CB SER A 77 3.509 -8.064 9.691 1.00 0.00 C ATOM 904 OG SER A 77 3.546 -7.345 10.916 1.00 0.00 O ATOM 0 H SER A 77 1.220 -7.484 10.291 1.00 0.00 H new ATOM 0 HA SER A 77 2.980 -6.438 8.376 1.00 0.00 H new ATOM 0 HB2 SER A 77 3.183 -9.087 9.876 1.00 0.00 H new ATOM 0 HB3 SER A 77 4.512 -8.121 9.268 1.00 0.00 H new ATOM 0 HG SER A 77 4.155 -7.793 11.540 1.00 0.00 H new ATOM 910 N ILE A 78 3.307 -8.064 6.477 1.00 0.00 N ATOM 911 CA ILE A 78 3.269 -8.817 5.218 1.00 0.00 C ATOM 912 C ILE A 78 4.112 -10.081 5.308 1.00 0.00 C ATOM 913 O ILE A 78 3.924 -11.027 4.545 1.00 0.00 O ATOM 914 CB ILE A 78 3.794 -7.999 4.011 1.00 0.00 C ATOM 915 CG1 ILE A 78 5.325 -7.830 4.053 1.00 0.00 C ATOM 916 CG2 ILE A 78 3.115 -6.644 3.933 1.00 0.00 C ATOM 917 CD1 ILE A 78 5.851 -7.038 5.234 1.00 0.00 C ATOM 0 H ILE A 78 4.064 -7.383 6.537 1.00 0.00 H new ATOM 0 HA ILE A 78 2.218 -9.058 5.060 1.00 0.00 H new ATOM 0 HB ILE A 78 3.547 -8.564 3.112 1.00 0.00 H new ATOM 0 HG12 ILE A 78 5.784 -8.818 4.064 1.00 0.00 H new ATOM 0 HG13 ILE A 78 5.647 -7.340 3.134 1.00 0.00 H new ATOM 0 HG21 ILE A 78 3.503 -6.092 3.077 1.00 0.00 H new ATOM 0 HG22 ILE A 78 2.040 -6.782 3.819 1.00 0.00 H new ATOM 0 HG23 ILE A 78 3.314 -6.084 4.847 1.00 0.00 H new ATOM 0 HD11 ILE A 78 6.938 -6.974 5.174 1.00 0.00 H new ATOM 0 HD12 ILE A 78 5.427 -6.034 5.217 1.00 0.00 H new ATOM 0 HD13 ILE A 78 5.567 -7.536 6.161 1.00 0.00 H new ATOM 929 N LYS A 79 5.038 -10.079 6.255 1.00 0.00 N ATOM 930 CA LYS A 79 6.064 -11.108 6.357 1.00 0.00 C ATOM 931 C LYS A 79 5.467 -12.494 6.604 1.00 0.00 C ATOM 932 O LYS A 79 6.065 -13.513 6.243 1.00 0.00 O ATOM 933 CB LYS A 79 7.040 -10.728 7.470 1.00 0.00 C ATOM 934 CG LYS A 79 8.115 -11.771 7.729 1.00 0.00 C ATOM 935 CD LYS A 79 9.104 -11.323 8.793 1.00 0.00 C ATOM 936 CE LYS A 79 9.948 -10.152 8.319 1.00 0.00 C ATOM 937 NZ LYS A 79 11.007 -9.803 9.300 1.00 0.00 N ATOM 0 H LYS A 79 5.100 -9.361 6.977 1.00 0.00 H new ATOM 0 HA LYS A 79 6.593 -11.164 5.406 1.00 0.00 H new ATOM 0 HB2 LYS A 79 7.519 -9.783 7.213 1.00 0.00 H new ATOM 0 HB3 LYS A 79 6.480 -10.562 8.390 1.00 0.00 H new ATOM 0 HG2 LYS A 79 7.646 -12.704 8.041 1.00 0.00 H new ATOM 0 HG3 LYS A 79 8.650 -11.977 6.802 1.00 0.00 H new ATOM 0 HD2 LYS A 79 8.563 -11.040 9.696 1.00 0.00 H new ATOM 0 HD3 LYS A 79 9.754 -12.156 9.059 1.00 0.00 H new ATOM 0 HE2 LYS A 79 10.407 -10.398 7.361 1.00 0.00 H new ATOM 0 HE3 LYS A 79 9.307 -9.286 8.152 1.00 0.00 H new ATOM 0 HZ1 LYS A 79 11.562 -9.000 8.941 1.00 0.00 H new ATOM 0 HZ2 LYS A 79 10.568 -9.543 10.207 1.00 0.00 H new ATOM 0 HZ3 LYS A 79 11.634 -10.621 9.440 1.00 0.00 H new ATOM 951 N GLY A 80 4.285 -12.527 7.197 1.00 0.00 N ATOM 952 CA GLY A 80 3.636 -13.787 7.482 1.00 0.00 C ATOM 953 C GLY A 80 3.109 -14.473 6.237 1.00 0.00 C ATOM 954 O GLY A 80 2.859 -15.677 6.253 1.00 0.00 O ATOM 0 H GLY A 80 3.762 -11.701 7.487 1.00 0.00 H new ATOM 0 HA2 GLY A 80 4.342 -14.448 7.984 1.00 0.00 H new ATOM 0 HA3 GLY A 80 2.811 -13.617 8.174 1.00 0.00 H new ATOM 958 N LYS A 81 2.966 -13.728 5.143 1.00 0.00 N ATOM 959 CA LYS A 81 2.397 -14.289 3.926 1.00 0.00 C ATOM 960 C LYS A 81 3.229 -13.870 2.711 1.00 0.00 C ATOM 961 O LYS A 81 4.459 -13.849 2.790 1.00 0.00 O ATOM 962 CB LYS A 81 0.908 -13.906 3.770 1.00 0.00 C ATOM 963 CG LYS A 81 0.631 -12.415 3.633 1.00 0.00 C ATOM 964 CD LYS A 81 0.817 -11.659 4.940 1.00 0.00 C ATOM 965 CE LYS A 81 -0.337 -11.879 5.901 1.00 0.00 C ATOM 966 NZ LYS A 81 -0.042 -11.340 7.252 1.00 0.00 N ATOM 0 H LYS A 81 3.234 -12.746 5.077 1.00 0.00 H new ATOM 0 HA LYS A 81 2.432 -15.376 3.996 1.00 0.00 H new ATOM 0 HB2 LYS A 81 0.509 -14.415 2.893 1.00 0.00 H new ATOM 0 HB3 LYS A 81 0.360 -14.283 4.634 1.00 0.00 H new ATOM 0 HG2 LYS A 81 1.295 -11.995 2.878 1.00 0.00 H new ATOM 0 HG3 LYS A 81 -0.389 -12.271 3.277 1.00 0.00 H new ATOM 0 HD2 LYS A 81 1.746 -11.977 5.412 1.00 0.00 H new ATOM 0 HD3 LYS A 81 0.915 -10.594 4.730 1.00 0.00 H new ATOM 0 HE2 LYS A 81 -1.234 -11.401 5.507 1.00 0.00 H new ATOM 0 HE3 LYS A 81 -0.550 -12.945 5.974 1.00 0.00 H new ATOM 0 HZ1 LYS A 81 -0.918 -10.976 7.679 1.00 0.00 H new ATOM 0 HZ2 LYS A 81 0.347 -12.097 7.850 1.00 0.00 H new ATOM 0 HZ3 LYS A 81 0.652 -10.569 7.174 1.00 0.00 H new ATOM 980 N THR A 82 2.584 -13.530 1.599 1.00 0.00 N ATOM 981 CA THR A 82 3.311 -13.287 0.363 1.00 0.00 C ATOM 982 C THR A 82 2.776 -12.065 -0.372 1.00 0.00 C ATOM 983 O THR A 82 1.636 -11.655 -0.151 1.00 0.00 O ATOM 984 CB THR A 82 3.270 -14.512 -0.582 1.00 0.00 C ATOM 985 OG1 THR A 82 1.916 -14.894 -0.840 1.00 0.00 O ATOM 986 CG2 THR A 82 4.025 -15.693 0.007 1.00 0.00 C ATOM 0 H THR A 82 1.572 -13.418 1.530 1.00 0.00 H new ATOM 0 HA THR A 82 4.346 -13.103 0.650 1.00 0.00 H new ATOM 0 HB THR A 82 3.754 -14.224 -1.515 1.00 0.00 H new ATOM 0 HG1 THR A 82 1.573 -15.414 -0.083 1.00 0.00 H new ATOM 0 HG21 THR A 82 3.976 -16.536 -0.682 1.00 0.00 H new ATOM 0 HG22 THR A 82 5.067 -15.415 0.168 1.00 0.00 H new ATOM 0 HG23 THR A 82 3.574 -15.975 0.958 1.00 0.00 H new ATOM 994 N LYS A 83 3.611 -11.494 -1.227 1.00 0.00 N ATOM 995 CA LYS A 83 3.276 -10.292 -1.994 1.00 0.00 C ATOM 996 C LYS A 83 1.905 -10.389 -2.671 1.00 0.00 C ATOM 997 O LYS A 83 1.043 -9.529 -2.480 1.00 0.00 O ATOM 998 CB LYS A 83 4.358 -10.034 -3.051 1.00 0.00 C ATOM 999 CG LYS A 83 5.268 -11.215 -3.286 1.00 0.00 C ATOM 1000 CD LYS A 83 6.141 -11.018 -4.505 1.00 0.00 C ATOM 1001 CE LYS A 83 7.019 -12.227 -4.715 1.00 0.00 C ATOM 1002 NZ LYS A 83 7.853 -12.108 -5.934 1.00 0.00 N ATOM 0 H LYS A 83 4.548 -11.850 -1.413 1.00 0.00 H new ATOM 0 HA LYS A 83 3.231 -9.461 -1.290 1.00 0.00 H new ATOM 0 HB2 LYS A 83 3.878 -9.763 -3.991 1.00 0.00 H new ATOM 0 HB3 LYS A 83 4.959 -9.179 -2.742 1.00 0.00 H new ATOM 0 HG2 LYS A 83 5.897 -11.369 -2.409 1.00 0.00 H new ATOM 0 HG3 LYS A 83 4.668 -12.117 -3.410 1.00 0.00 H new ATOM 0 HD2 LYS A 83 5.519 -10.854 -5.385 1.00 0.00 H new ATOM 0 HD3 LYS A 83 6.758 -10.128 -4.380 1.00 0.00 H new ATOM 0 HE2 LYS A 83 7.664 -12.360 -3.847 1.00 0.00 H new ATOM 0 HE3 LYS A 83 6.396 -13.118 -4.789 1.00 0.00 H new ATOM 0 HZ1 LYS A 83 8.439 -12.961 -6.038 1.00 0.00 H new ATOM 0 HZ2 LYS A 83 7.238 -12.007 -6.767 1.00 0.00 H new ATOM 0 HZ3 LYS A 83 8.468 -11.273 -5.854 1.00 0.00 H new ATOM 1016 N VAL A 84 1.707 -11.434 -3.457 1.00 0.00 N ATOM 1017 CA VAL A 84 0.471 -11.630 -4.172 1.00 0.00 C ATOM 1018 C VAL A 84 -0.740 -11.663 -3.228 1.00 0.00 C ATOM 1019 O VAL A 84 -1.794 -11.098 -3.530 1.00 0.00 O ATOM 1020 CB VAL A 84 0.550 -12.925 -4.996 1.00 0.00 C ATOM 1021 CG1 VAL A 84 0.811 -14.129 -4.108 1.00 0.00 C ATOM 1022 CG2 VAL A 84 -0.709 -13.110 -5.790 1.00 0.00 C ATOM 0 H VAL A 84 2.401 -12.165 -3.613 1.00 0.00 H new ATOM 0 HA VAL A 84 0.331 -10.782 -4.842 1.00 0.00 H new ATOM 0 HB VAL A 84 1.389 -12.839 -5.686 1.00 0.00 H new ATOM 0 HG11 VAL A 84 0.861 -15.029 -4.721 1.00 0.00 H new ATOM 0 HG12 VAL A 84 1.756 -13.995 -3.582 1.00 0.00 H new ATOM 0 HG13 VAL A 84 0.003 -14.228 -3.383 1.00 0.00 H new ATOM 0 HG21 VAL A 84 -0.642 -14.031 -6.370 1.00 0.00 H new ATOM 0 HG22 VAL A 84 -1.561 -13.169 -5.113 1.00 0.00 H new ATOM 0 HG23 VAL A 84 -0.841 -12.265 -6.465 1.00 0.00 H new ATOM 1032 N GLU A 85 -0.570 -12.302 -2.076 1.00 0.00 N ATOM 1033 CA GLU A 85 -1.639 -12.426 -1.099 1.00 0.00 C ATOM 1034 C GLU A 85 -1.917 -11.108 -0.390 1.00 0.00 C ATOM 1035 O GLU A 85 -3.063 -10.797 -0.090 1.00 0.00 O ATOM 1036 CB GLU A 85 -1.292 -13.496 -0.069 1.00 0.00 C ATOM 1037 CG GLU A 85 -1.064 -14.862 -0.681 1.00 0.00 C ATOM 1038 CD GLU A 85 -0.894 -15.942 0.365 1.00 0.00 C ATOM 1039 OE1 GLU A 85 -1.909 -16.525 0.792 1.00 0.00 O ATOM 1040 OE2 GLU A 85 0.260 -16.215 0.763 1.00 0.00 O ATOM 0 H GLU A 85 0.306 -12.744 -1.797 1.00 0.00 H new ATOM 0 HA GLU A 85 -2.540 -12.714 -1.640 1.00 0.00 H new ATOM 0 HB2 GLU A 85 -0.395 -13.193 0.472 1.00 0.00 H new ATOM 0 HB3 GLU A 85 -2.098 -13.562 0.662 1.00 0.00 H new ATOM 0 HG2 GLU A 85 -1.906 -15.114 -1.325 1.00 0.00 H new ATOM 0 HG3 GLU A 85 -0.177 -14.830 -1.314 1.00 0.00 H new ATOM 1047 N VAL A 86 -0.878 -10.331 -0.120 1.00 0.00 N ATOM 1048 CA VAL A 86 -1.054 -9.086 0.618 1.00 0.00 C ATOM 1049 C VAL A 86 -1.735 -8.023 -0.240 1.00 0.00 C ATOM 1050 O VAL A 86 -2.592 -7.285 0.241 1.00 0.00 O ATOM 1051 CB VAL A 86 0.269 -8.535 1.182 1.00 0.00 C ATOM 1052 CG1 VAL A 86 0.921 -9.538 2.108 1.00 0.00 C ATOM 1053 CG2 VAL A 86 1.246 -8.160 0.093 1.00 0.00 C ATOM 0 H VAL A 86 0.083 -10.535 -0.395 1.00 0.00 H new ATOM 0 HA VAL A 86 -1.697 -9.327 1.464 1.00 0.00 H new ATOM 0 HB VAL A 86 0.013 -7.632 1.737 1.00 0.00 H new ATOM 0 HG11 VAL A 86 1.853 -9.125 2.493 1.00 0.00 H new ATOM 0 HG12 VAL A 86 0.250 -9.756 2.939 1.00 0.00 H new ATOM 0 HG13 VAL A 86 1.130 -10.457 1.560 1.00 0.00 H new ATOM 0 HG21 VAL A 86 2.162 -7.777 0.542 1.00 0.00 H new ATOM 0 HG22 VAL A 86 1.477 -9.040 -0.508 1.00 0.00 H new ATOM 0 HG23 VAL A 86 0.805 -7.392 -0.543 1.00 0.00 H new ATOM 1063 N ALA A 87 -1.336 -7.941 -1.500 1.00 0.00 N ATOM 1064 CA ALA A 87 -2.047 -7.119 -2.482 1.00 0.00 C ATOM 1065 C ALA A 87 -3.513 -7.527 -2.540 1.00 0.00 C ATOM 1066 O ALA A 87 -4.398 -6.685 -2.704 1.00 0.00 O ATOM 1067 CB ALA A 87 -1.421 -7.243 -3.857 1.00 0.00 C ATOM 0 H ALA A 87 -0.523 -8.432 -1.872 1.00 0.00 H new ATOM 0 HA ALA A 87 -1.973 -6.078 -2.168 1.00 0.00 H new ATOM 0 HB1 ALA A 87 -1.970 -6.622 -4.564 1.00 0.00 H new ATOM 0 HB2 ALA A 87 -0.383 -6.914 -3.815 1.00 0.00 H new ATOM 0 HB3 ALA A 87 -1.459 -8.283 -4.182 1.00 0.00 H new ATOM 1073 N LYS A 88 -3.765 -8.826 -2.408 1.00 0.00 N ATOM 1074 CA LYS A 88 -5.125 -9.321 -2.309 1.00 0.00 C ATOM 1075 C LYS A 88 -5.769 -8.806 -1.034 1.00 0.00 C ATOM 1076 O LYS A 88 -6.866 -8.278 -1.063 1.00 0.00 O ATOM 1077 CB LYS A 88 -5.175 -10.840 -2.322 1.00 0.00 C ATOM 1078 CG LYS A 88 -6.572 -11.375 -2.106 1.00 0.00 C ATOM 1079 CD LYS A 88 -6.650 -12.848 -2.429 1.00 0.00 C ATOM 1080 CE LYS A 88 -8.063 -13.387 -2.264 1.00 0.00 C ATOM 1081 NZ LYS A 88 -8.582 -13.205 -0.879 1.00 0.00 N ATOM 0 H LYS A 88 -3.046 -9.548 -2.368 1.00 0.00 H new ATOM 0 HA LYS A 88 -5.673 -8.957 -3.178 1.00 0.00 H new ATOM 0 HB2 LYS A 88 -4.793 -11.205 -3.276 1.00 0.00 H new ATOM 0 HB3 LYS A 88 -4.516 -11.229 -1.545 1.00 0.00 H new ATOM 0 HG2 LYS A 88 -6.871 -11.211 -1.071 1.00 0.00 H new ATOM 0 HG3 LYS A 88 -7.275 -10.825 -2.732 1.00 0.00 H new ATOM 0 HD2 LYS A 88 -6.315 -13.014 -3.453 1.00 0.00 H new ATOM 0 HD3 LYS A 88 -5.972 -13.400 -1.778 1.00 0.00 H new ATOM 0 HE2 LYS A 88 -8.726 -12.882 -2.967 1.00 0.00 H new ATOM 0 HE3 LYS A 88 -8.077 -14.447 -2.518 1.00 0.00 H new ATOM 0 HZ1 LYS A 88 -9.028 -14.087 -0.557 1.00 0.00 H new ATOM 0 HZ2 LYS A 88 -7.796 -12.962 -0.243 1.00 0.00 H new ATOM 0 HZ3 LYS A 88 -9.285 -12.438 -0.870 1.00 0.00 H new ATOM 1095 N MET A 89 -5.060 -8.954 0.077 1.00 0.00 N ATOM 1096 CA MET A 89 -5.543 -8.504 1.380 1.00 0.00 C ATOM 1097 C MET A 89 -5.926 -7.029 1.344 1.00 0.00 C ATOM 1098 O MET A 89 -6.941 -6.628 1.909 1.00 0.00 O ATOM 1099 CB MET A 89 -4.479 -8.759 2.447 1.00 0.00 C ATOM 1100 CG MET A 89 -4.211 -10.235 2.667 1.00 0.00 C ATOM 1101 SD MET A 89 -3.078 -10.578 4.023 1.00 0.00 S ATOM 1102 CE MET A 89 -3.183 -12.367 4.057 1.00 0.00 C ATOM 0 H MET A 89 -4.137 -9.387 0.103 1.00 0.00 H new ATOM 0 HA MET A 89 -6.438 -9.073 1.631 1.00 0.00 H new ATOM 0 HB2 MET A 89 -3.552 -8.266 2.155 1.00 0.00 H new ATOM 0 HB3 MET A 89 -4.798 -8.308 3.387 1.00 0.00 H new ATOM 0 HG2 MET A 89 -5.157 -10.741 2.860 1.00 0.00 H new ATOM 0 HG3 MET A 89 -3.804 -10.661 1.750 1.00 0.00 H new ATOM 0 HE1 MET A 89 -2.879 -12.731 5.038 1.00 0.00 H new ATOM 0 HE2 MET A 89 -4.209 -12.675 3.858 1.00 0.00 H new ATOM 0 HE3 MET A 89 -2.525 -12.785 3.295 1.00 0.00 H new ATOM 1112 N ILE A 90 -5.116 -6.236 0.658 1.00 0.00 N ATOM 1113 CA ILE A 90 -5.406 -4.824 0.465 1.00 0.00 C ATOM 1114 C ILE A 90 -6.717 -4.631 -0.296 1.00 0.00 C ATOM 1115 O ILE A 90 -7.620 -3.946 0.177 1.00 0.00 O ATOM 1116 CB ILE A 90 -4.266 -4.120 -0.302 1.00 0.00 C ATOM 1117 CG1 ILE A 90 -3.031 -3.956 0.587 1.00 0.00 C ATOM 1118 CG2 ILE A 90 -4.720 -2.767 -0.833 1.00 0.00 C ATOM 1119 CD1 ILE A 90 -3.242 -3.029 1.769 1.00 0.00 C ATOM 0 H ILE A 90 -4.248 -6.549 0.224 1.00 0.00 H new ATOM 0 HA ILE A 90 -5.498 -4.378 1.455 1.00 0.00 H new ATOM 0 HB ILE A 90 -3.998 -4.749 -1.151 1.00 0.00 H new ATOM 0 HG12 ILE A 90 -2.729 -4.936 0.956 1.00 0.00 H new ATOM 0 HG13 ILE A 90 -2.208 -3.575 -0.018 1.00 0.00 H new ATOM 0 HG21 ILE A 90 -3.898 -2.292 -1.369 1.00 0.00 H new ATOM 0 HG22 ILE A 90 -5.563 -2.906 -1.510 1.00 0.00 H new ATOM 0 HG23 ILE A 90 -5.024 -2.133 -0.000 1.00 0.00 H new ATOM 0 HD11 ILE A 90 -2.322 -2.965 2.350 1.00 0.00 H new ATOM 0 HD12 ILE A 90 -3.514 -2.037 1.409 1.00 0.00 H new ATOM 0 HD13 ILE A 90 -4.042 -3.418 2.398 1.00 0.00 H new ATOM 1131 N GLN A 91 -6.825 -5.236 -1.475 1.00 0.00 N ATOM 1132 CA GLN A 91 -7.998 -5.051 -2.310 1.00 0.00 C ATOM 1133 C GLN A 91 -9.220 -5.778 -1.739 1.00 0.00 C ATOM 1134 O GLN A 91 -10.356 -5.399 -2.019 1.00 0.00 O ATOM 1135 CB GLN A 91 -7.700 -5.518 -3.735 1.00 0.00 C ATOM 1136 CG GLN A 91 -7.490 -7.013 -3.871 1.00 0.00 C ATOM 1137 CD GLN A 91 -7.006 -7.412 -5.249 1.00 0.00 C ATOM 1138 OE1 GLN A 91 -7.801 -7.697 -6.143 1.00 0.00 O ATOM 1139 NE2 GLN A 91 -5.696 -7.432 -5.431 1.00 0.00 N ATOM 0 H GLN A 91 -6.116 -5.855 -1.869 1.00 0.00 H new ATOM 0 HA GLN A 91 -8.239 -3.988 -2.329 1.00 0.00 H new ATOM 0 HB2 GLN A 91 -8.524 -5.218 -4.383 1.00 0.00 H new ATOM 0 HB3 GLN A 91 -6.809 -5.004 -4.094 1.00 0.00 H new ATOM 0 HG2 GLN A 91 -6.766 -7.343 -3.126 1.00 0.00 H new ATOM 0 HG3 GLN A 91 -8.426 -7.528 -3.656 1.00 0.00 H new ATOM 0 HE21 GLN A 91 -5.071 -7.189 -4.663 1.00 0.00 H new ATOM 0 HE22 GLN A 91 -5.311 -7.691 -6.340 1.00 0.00 H new ATOM 1148 N GLU A 92 -8.976 -6.795 -0.925 1.00 0.00 N ATOM 1149 CA GLU A 92 -10.038 -7.605 -0.337 1.00 0.00 C ATOM 1150 C GLU A 92 -10.876 -6.819 0.661 1.00 0.00 C ATOM 1151 O GLU A 92 -12.101 -6.784 0.555 1.00 0.00 O ATOM 1152 CB GLU A 92 -9.425 -8.807 0.375 1.00 0.00 C ATOM 1153 CG GLU A 92 -10.438 -9.702 1.043 1.00 0.00 C ATOM 1154 CD GLU A 92 -11.302 -10.445 0.047 1.00 0.00 C ATOM 1155 OE1 GLU A 92 -10.772 -11.329 -0.657 1.00 0.00 O ATOM 1156 OE2 GLU A 92 -12.518 -10.155 -0.029 1.00 0.00 O ATOM 0 H GLU A 92 -8.036 -7.084 -0.652 1.00 0.00 H new ATOM 0 HA GLU A 92 -10.691 -7.925 -1.149 1.00 0.00 H new ATOM 0 HB2 GLU A 92 -8.856 -9.393 -0.347 1.00 0.00 H new ATOM 0 HB3 GLU A 92 -8.718 -8.451 1.125 1.00 0.00 H new ATOM 0 HG2 GLU A 92 -9.920 -10.421 1.677 1.00 0.00 H new ATOM 0 HG3 GLU A 92 -11.074 -9.103 1.694 1.00 0.00 H new ATOM 1163 N VAL A 93 -10.201 -6.211 1.635 1.00 0.00 N ATOM 1164 CA VAL A 93 -10.866 -5.537 2.760 1.00 0.00 C ATOM 1165 C VAL A 93 -12.019 -4.628 2.322 1.00 0.00 C ATOM 1166 O VAL A 93 -12.996 -4.492 3.057 1.00 0.00 O ATOM 1167 CB VAL A 93 -9.870 -4.729 3.621 1.00 0.00 C ATOM 1168 CG1 VAL A 93 -8.814 -5.652 4.201 1.00 0.00 C ATOM 1169 CG2 VAL A 93 -9.223 -3.605 2.824 1.00 0.00 C ATOM 0 H VAL A 93 -9.183 -6.169 1.671 1.00 0.00 H new ATOM 0 HA VAL A 93 -11.287 -6.341 3.363 1.00 0.00 H new ATOM 0 HB VAL A 93 -10.427 -4.270 4.438 1.00 0.00 H new ATOM 0 HG11 VAL A 93 -8.117 -5.072 4.806 1.00 0.00 H new ATOM 0 HG12 VAL A 93 -9.293 -6.408 4.823 1.00 0.00 H new ATOM 0 HG13 VAL A 93 -8.272 -6.140 3.391 1.00 0.00 H new ATOM 0 HG21 VAL A 93 -8.529 -3.059 3.463 1.00 0.00 H new ATOM 0 HG22 VAL A 93 -8.682 -4.025 1.976 1.00 0.00 H new ATOM 0 HG23 VAL A 93 -9.994 -2.925 2.462 1.00 0.00 H new ATOM 1179 N LYS A 94 -11.901 -4.025 1.135 1.00 0.00 N ATOM 1180 CA LYS A 94 -12.987 -3.234 0.539 1.00 0.00 C ATOM 1181 C LYS A 94 -13.211 -1.913 1.281 1.00 0.00 C ATOM 1182 O LYS A 94 -13.444 -1.890 2.490 1.00 0.00 O ATOM 1183 CB LYS A 94 -14.288 -4.055 0.519 1.00 0.00 C ATOM 1184 CG LYS A 94 -15.500 -3.307 -0.022 1.00 0.00 C ATOM 1185 CD LYS A 94 -15.425 -3.119 -1.527 1.00 0.00 C ATOM 1186 CE LYS A 94 -16.641 -2.380 -2.060 1.00 0.00 C ATOM 1187 NZ LYS A 94 -17.903 -3.104 -1.763 1.00 0.00 N ATOM 0 H LYS A 94 -11.058 -4.069 0.563 1.00 0.00 H new ATOM 0 HA LYS A 94 -12.693 -2.990 -0.482 1.00 0.00 H new ATOM 0 HB2 LYS A 94 -14.129 -4.949 -0.085 1.00 0.00 H new ATOM 0 HB3 LYS A 94 -14.507 -4.390 1.533 1.00 0.00 H new ATOM 0 HG2 LYS A 94 -16.407 -3.856 0.230 1.00 0.00 H new ATOM 0 HG3 LYS A 94 -15.571 -2.333 0.462 1.00 0.00 H new ATOM 0 HD2 LYS A 94 -14.522 -2.564 -1.780 1.00 0.00 H new ATOM 0 HD3 LYS A 94 -15.348 -4.092 -2.012 1.00 0.00 H new ATOM 0 HE2 LYS A 94 -16.682 -1.384 -1.620 1.00 0.00 H new ATOM 0 HE3 LYS A 94 -16.543 -2.249 -3.138 1.00 0.00 H new ATOM 0 HZ1 LYS A 94 -18.675 -2.706 -2.335 1.00 0.00 H new ATOM 0 HZ2 LYS A 94 -17.787 -4.112 -1.992 1.00 0.00 H new ATOM 0 HZ3 LYS A 94 -18.132 -3.002 -0.754 1.00 0.00 H new ATOM 1201 N GLY A 95 -13.136 -0.809 0.551 1.00 0.00 N ATOM 1202 CA GLY A 95 -13.489 0.472 1.130 1.00 0.00 C ATOM 1203 C GLY A 95 -12.294 1.349 1.434 1.00 0.00 C ATOM 1204 O GLY A 95 -12.166 2.441 0.881 1.00 0.00 O ATOM 0 H GLY A 95 -12.839 -0.776 -0.424 1.00 0.00 H new ATOM 0 HA2 GLY A 95 -14.152 1.000 0.445 1.00 0.00 H new ATOM 0 HA3 GLY A 95 -14.049 0.304 2.050 1.00 0.00 H new ATOM 1208 N GLU A 96 -11.391 0.863 2.272 1.00 0.00 N ATOM 1209 CA GLU A 96 -10.320 1.688 2.783 1.00 0.00 C ATOM 1210 C GLU A 96 -9.004 0.942 2.733 1.00 0.00 C ATOM 1211 O GLU A 96 -8.945 -0.220 2.327 1.00 0.00 O ATOM 1212 CB GLU A 96 -10.602 2.106 4.223 1.00 0.00 C ATOM 1213 CG GLU A 96 -10.562 0.938 5.183 1.00 0.00 C ATOM 1214 CD GLU A 96 -10.714 1.351 6.631 1.00 0.00 C ATOM 1215 OE1 GLU A 96 -11.849 1.652 7.056 1.00 0.00 O ATOM 1216 OE2 GLU A 96 -9.698 1.377 7.354 1.00 0.00 O ATOM 0 H GLU A 96 -11.383 -0.099 2.610 1.00 0.00 H new ATOM 0 HA GLU A 96 -10.257 2.577 2.156 1.00 0.00 H new ATOM 0 HB2 GLU A 96 -9.869 2.851 4.532 1.00 0.00 H new ATOM 0 HB3 GLU A 96 -11.581 2.582 4.275 1.00 0.00 H new ATOM 0 HG2 GLU A 96 -11.357 0.238 4.926 1.00 0.00 H new ATOM 0 HG3 GLU A 96 -9.618 0.407 5.060 1.00 0.00 H new ATOM 1223 N VAL A 97 -7.964 1.631 3.157 1.00 0.00 N ATOM 1224 CA VAL A 97 -6.610 1.088 3.185 1.00 0.00 C ATOM 1225 C VAL A 97 -5.826 1.697 4.349 1.00 0.00 C ATOM 1226 O VAL A 97 -6.103 2.825 4.771 1.00 0.00 O ATOM 1227 CB VAL A 97 -5.828 1.376 1.872 1.00 0.00 C ATOM 1228 CG1 VAL A 97 -6.616 0.960 0.640 1.00 0.00 C ATOM 1229 CG2 VAL A 97 -5.445 2.844 1.776 1.00 0.00 C ATOM 0 H VAL A 97 -8.029 2.591 3.495 1.00 0.00 H new ATOM 0 HA VAL A 97 -6.709 0.009 3.301 1.00 0.00 H new ATOM 0 HB VAL A 97 -4.918 0.777 1.906 1.00 0.00 H new ATOM 0 HG11 VAL A 97 -6.034 1.179 -0.255 1.00 0.00 H new ATOM 0 HG12 VAL A 97 -6.825 -0.109 0.685 1.00 0.00 H new ATOM 0 HG13 VAL A 97 -7.555 1.512 0.605 1.00 0.00 H new ATOM 0 HG21 VAL A 97 -4.899 3.018 0.849 1.00 0.00 H new ATOM 0 HG22 VAL A 97 -6.346 3.457 1.787 1.00 0.00 H new ATOM 0 HG23 VAL A 97 -4.814 3.112 2.624 1.00 0.00 H new ATOM 1239 N THR A 98 -4.869 0.944 4.873 1.00 0.00 N ATOM 1240 CA THR A 98 -3.912 1.471 5.837 1.00 0.00 C ATOM 1241 C THR A 98 -2.519 0.917 5.546 1.00 0.00 C ATOM 1242 O THR A 98 -2.195 -0.219 5.897 1.00 0.00 O ATOM 1243 CB THR A 98 -4.306 1.147 7.292 1.00 0.00 C ATOM 1244 OG1 THR A 98 -4.868 -0.165 7.373 1.00 0.00 O ATOM 1245 CG2 THR A 98 -5.293 2.165 7.840 1.00 0.00 C ATOM 0 H THR A 98 -4.734 -0.041 4.645 1.00 0.00 H new ATOM 0 HA THR A 98 -3.912 2.556 5.731 1.00 0.00 H new ATOM 0 HB THR A 98 -3.401 1.191 7.898 1.00 0.00 H new ATOM 0 HG1 THR A 98 -5.608 -0.244 6.736 1.00 0.00 H new ATOM 0 HG21 THR A 98 -5.549 1.907 8.867 1.00 0.00 H new ATOM 0 HG22 THR A 98 -4.843 3.157 7.817 1.00 0.00 H new ATOM 0 HG23 THR A 98 -6.196 2.162 7.229 1.00 0.00 H new ATOM 1253 N ILE A 99 -1.704 1.721 4.888 1.00 0.00 N ATOM 1254 CA ILE A 99 -0.375 1.293 4.474 1.00 0.00 C ATOM 1255 C ILE A 99 0.633 1.516 5.584 1.00 0.00 C ATOM 1256 O ILE A 99 0.890 2.650 5.973 1.00 0.00 O ATOM 1257 CB ILE A 99 0.135 2.032 3.208 1.00 0.00 C ATOM 1258 CG1 ILE A 99 -0.493 3.426 3.066 1.00 0.00 C ATOM 1259 CG2 ILE A 99 -0.103 1.206 1.954 1.00 0.00 C ATOM 1260 CD1 ILE A 99 -1.881 3.435 2.456 1.00 0.00 C ATOM 0 H ILE A 99 -1.938 2.679 4.627 1.00 0.00 H new ATOM 0 HA ILE A 99 -0.469 0.232 4.242 1.00 0.00 H new ATOM 0 HB ILE A 99 1.210 2.166 3.330 1.00 0.00 H new ATOM 0 HG12 ILE A 99 -0.541 3.890 4.051 1.00 0.00 H new ATOM 0 HG13 ILE A 99 0.163 4.045 2.453 1.00 0.00 H new ATOM 0 HG21 ILE A 99 0.265 1.751 1.084 1.00 0.00 H new ATOM 0 HG22 ILE A 99 0.426 0.257 2.038 1.00 0.00 H new ATOM 0 HG23 ILE A 99 -1.171 1.018 1.839 1.00 0.00 H new ATOM 0 HD11 ILE A 99 -2.245 4.461 2.395 1.00 0.00 H new ATOM 0 HD12 ILE A 99 -1.842 3.004 1.456 1.00 0.00 H new ATOM 0 HD13 ILE A 99 -2.556 2.847 3.078 1.00 0.00 H new ATOM 1272 N HIS A 100 1.196 0.435 6.096 1.00 0.00 N ATOM 1273 CA HIS A 100 2.265 0.544 7.072 1.00 0.00 C ATOM 1274 C HIS A 100 3.594 0.533 6.344 1.00 0.00 C ATOM 1275 O HIS A 100 3.924 -0.428 5.650 1.00 0.00 O ATOM 1276 CB HIS A 100 2.216 -0.587 8.099 1.00 0.00 C ATOM 1277 CG HIS A 100 1.357 -0.293 9.289 1.00 0.00 C ATOM 1278 ND1 HIS A 100 1.862 -0.176 10.566 1.00 0.00 N ATOM 1279 CD2 HIS A 100 0.022 -0.110 9.399 1.00 0.00 C ATOM 1280 CE1 HIS A 100 0.876 0.061 11.408 1.00 0.00 C ATOM 1281 NE2 HIS A 100 -0.251 0.107 10.726 1.00 0.00 N ATOM 0 H HIS A 100 0.933 -0.520 5.854 1.00 0.00 H new ATOM 0 HA HIS A 100 2.142 1.479 7.619 1.00 0.00 H new ATOM 0 HB2 HIS A 100 1.848 -1.490 7.612 1.00 0.00 H new ATOM 0 HB3 HIS A 100 3.230 -0.799 8.439 1.00 0.00 H new ATOM 0 HD1 HIS A 100 2.846 -0.260 10.820 1.00 0.00 H new ATOM 0 HD2 HIS A 100 -0.696 -0.131 8.592 1.00 0.00 H new ATOM 0 HE1 HIS A 100 0.975 0.195 12.475 1.00 0.00 H new ATOM 1290 N TYR A 101 4.345 1.599 6.502 1.00 0.00 N ATOM 1291 CA TYR A 101 5.534 1.809 5.701 1.00 0.00 C ATOM 1292 C TYR A 101 6.726 2.200 6.560 1.00 0.00 C ATOM 1293 O TYR A 101 6.674 2.139 7.791 1.00 0.00 O ATOM 1294 CB TYR A 101 5.256 2.909 4.671 1.00 0.00 C ATOM 1295 CG TYR A 101 4.683 4.177 5.275 1.00 0.00 C ATOM 1296 CD1 TYR A 101 5.444 4.981 6.114 1.00 0.00 C ATOM 1297 CD2 TYR A 101 3.380 4.564 5.005 1.00 0.00 C ATOM 1298 CE1 TYR A 101 4.924 6.134 6.666 1.00 0.00 C ATOM 1299 CE2 TYR A 101 2.852 5.716 5.552 1.00 0.00 C ATOM 1300 CZ TYR A 101 3.629 6.498 6.382 1.00 0.00 C ATOM 1301 OH TYR A 101 3.111 7.651 6.925 1.00 0.00 O ATOM 0 H TYR A 101 4.155 2.337 7.179 1.00 0.00 H new ATOM 0 HA TYR A 101 5.780 0.873 5.199 1.00 0.00 H new ATOM 0 HB2 TYR A 101 6.183 3.151 4.151 1.00 0.00 H new ATOM 0 HB3 TYR A 101 4.562 2.527 3.923 1.00 0.00 H new ATOM 0 HD1 TYR A 101 6.462 4.698 6.339 1.00 0.00 H new ATOM 0 HD2 TYR A 101 2.768 3.955 4.356 1.00 0.00 H new ATOM 0 HE1 TYR A 101 5.530 6.746 7.317 1.00 0.00 H new ATOM 0 HE2 TYR A 101 1.835 6.004 5.331 1.00 0.00 H new ATOM 0 HH TYR A 101 3.831 8.302 7.059 1.00 0.00 H new ATOM 1311 N ASN A 102 7.787 2.604 5.886 1.00 0.00 N ATOM 1312 CA ASN A 102 8.969 3.136 6.529 1.00 0.00 C ATOM 1313 C ASN A 102 9.633 4.118 5.573 1.00 0.00 C ATOM 1314 O ASN A 102 9.511 3.980 4.355 1.00 0.00 O ATOM 1315 CB ASN A 102 9.922 2.015 6.961 1.00 0.00 C ATOM 1316 CG ASN A 102 10.439 1.172 5.810 1.00 0.00 C ATOM 1317 OD1 ASN A 102 9.813 0.186 5.425 1.00 0.00 O ATOM 1318 ND2 ASN A 102 11.592 1.542 5.271 1.00 0.00 N ATOM 0 H ASN A 102 7.851 2.571 4.869 1.00 0.00 H new ATOM 0 HA ASN A 102 8.691 3.661 7.443 1.00 0.00 H new ATOM 0 HB2 ASN A 102 10.770 2.454 7.487 1.00 0.00 H new ATOM 0 HB3 ASN A 102 9.408 1.367 7.671 1.00 0.00 H new ATOM 0 HD21 ASN A 102 11.994 1.001 4.505 1.00 0.00 H new ATOM 0 HD22 ASN A 102 12.077 2.368 5.622 1.00 0.00 H new ATOM 1393 N ASP A 107 21.123 4.516 -0.549 1.00 0.00 N ATOM 1394 CA ASP A 107 21.800 4.529 -1.841 1.00 0.00 C ATOM 1395 C ASP A 107 22.150 3.110 -2.188 1.00 0.00 C ATOM 1396 O ASP A 107 22.369 2.340 -1.281 1.00 0.00 O ATOM 1397 CB ASP A 107 23.079 5.374 -1.797 1.00 0.00 C ATOM 1398 CG ASP A 107 22.817 6.840 -1.534 1.00 0.00 C ATOM 1399 OD1 ASP A 107 22.451 7.564 -2.484 1.00 0.00 O ATOM 1400 OD2 ASP A 107 22.987 7.275 -0.376 1.00 0.00 O ATOM 0 HA ASP A 107 21.140 4.969 -2.589 1.00 0.00 H new ATOM 0 HB2 ASP A 107 23.737 4.984 -1.021 1.00 0.00 H new ATOM 0 HB3 ASP A 107 23.608 5.271 -2.745 1.00 0.00 H new ATOM 1405 N PRO A 108 22.221 2.748 -3.481 1.00 0.00 N ATOM 1406 CA PRO A 108 22.446 1.366 -3.927 1.00 0.00 C ATOM 1407 C PRO A 108 23.335 0.545 -2.986 1.00 0.00 C ATOM 1408 O PRO A 108 22.940 -0.533 -2.543 1.00 0.00 O ATOM 1409 CB PRO A 108 23.127 1.576 -5.269 1.00 0.00 C ATOM 1410 CG PRO A 108 22.492 2.809 -5.817 1.00 0.00 C ATOM 1411 CD PRO A 108 22.100 3.663 -4.632 1.00 0.00 C ATOM 0 HA PRO A 108 21.520 0.792 -3.963 1.00 0.00 H new ATOM 0 HB2 PRO A 108 24.204 1.701 -5.153 1.00 0.00 H new ATOM 0 HB3 PRO A 108 22.975 0.723 -5.930 1.00 0.00 H new ATOM 0 HG2 PRO A 108 23.184 3.344 -6.467 1.00 0.00 H new ATOM 0 HG3 PRO A 108 21.618 2.559 -6.419 1.00 0.00 H new ATOM 0 HD2 PRO A 108 22.757 4.526 -4.527 1.00 0.00 H new ATOM 0 HD3 PRO A 108 21.084 4.046 -4.734 1.00 0.00 H new ATOM 1419 N LYS A 109 24.512 1.076 -2.669 1.00 0.00 N ATOM 1420 CA LYS A 109 25.445 0.433 -1.736 1.00 0.00 C ATOM 1421 C LYS A 109 24.795 0.156 -0.373 1.00 0.00 C ATOM 1422 O LYS A 109 24.828 -0.963 0.137 1.00 0.00 O ATOM 1423 CB LYS A 109 26.676 1.327 -1.539 1.00 0.00 C ATOM 1424 CG LYS A 109 26.339 2.740 -1.076 1.00 0.00 C ATOM 1425 CD LYS A 109 27.582 3.565 -0.783 1.00 0.00 C ATOM 1426 CE LYS A 109 28.379 3.859 -2.043 1.00 0.00 C ATOM 1427 NZ LYS A 109 29.527 4.765 -1.772 1.00 0.00 N ATOM 0 H LYS A 109 24.850 1.961 -3.048 1.00 0.00 H new ATOM 0 HA LYS A 109 25.737 -0.524 -2.169 1.00 0.00 H new ATOM 0 HB2 LYS A 109 27.338 0.863 -0.808 1.00 0.00 H new ATOM 0 HB3 LYS A 109 27.227 1.383 -2.478 1.00 0.00 H new ATOM 0 HG2 LYS A 109 25.747 3.239 -1.843 1.00 0.00 H new ATOM 0 HG3 LYS A 109 25.721 2.688 -0.180 1.00 0.00 H new ATOM 0 HD2 LYS A 109 27.291 4.503 -0.310 1.00 0.00 H new ATOM 0 HD3 LYS A 109 28.212 3.031 -0.071 1.00 0.00 H new ATOM 0 HE2 LYS A 109 28.746 2.924 -2.467 1.00 0.00 H new ATOM 0 HE3 LYS A 109 27.726 4.313 -2.788 1.00 0.00 H new ATOM 0 HZ1 LYS A 109 30.046 4.942 -2.656 1.00 0.00 H new ATOM 0 HZ2 LYS A 109 29.175 5.666 -1.391 1.00 0.00 H new ATOM 0 HZ3 LYS A 109 30.164 4.321 -1.080 1.00 0.00 H new ATOM 1441 N GLN A 110 24.184 1.186 0.192 1.00 0.00 N ATOM 1442 CA GLN A 110 23.604 1.136 1.519 1.00 0.00 C ATOM 1443 C GLN A 110 22.170 0.649 1.476 1.00 0.00 C ATOM 1444 O GLN A 110 21.514 0.480 2.501 1.00 0.00 O ATOM 1445 CB GLN A 110 23.662 2.517 2.134 1.00 0.00 C ATOM 1446 CG GLN A 110 25.060 2.947 2.527 1.00 0.00 C ATOM 1447 CD GLN A 110 25.754 1.943 3.433 1.00 0.00 C ATOM 1448 OE1 GLN A 110 26.429 1.024 2.964 1.00 0.00 O ATOM 1449 NE2 GLN A 110 25.599 2.115 4.734 1.00 0.00 N ATOM 0 H GLN A 110 24.077 2.091 -0.267 1.00 0.00 H new ATOM 0 HA GLN A 110 24.175 0.432 2.124 1.00 0.00 H new ATOM 0 HB2 GLN A 110 23.255 3.238 1.426 1.00 0.00 H new ATOM 0 HB3 GLN A 110 23.022 2.540 3.016 1.00 0.00 H new ATOM 0 HG2 GLN A 110 25.657 3.090 1.627 1.00 0.00 H new ATOM 0 HG3 GLN A 110 25.010 3.911 3.033 1.00 0.00 H new ATOM 0 HE21 GLN A 110 25.032 2.888 5.082 1.00 0.00 H new ATOM 0 HE22 GLN A 110 26.046 1.475 5.390 1.00 0.00 H new ATOM 1458 N LEU A 111 21.693 0.443 0.276 1.00 0.00 N ATOM 1459 CA LEU A 111 20.355 -0.030 0.050 1.00 0.00 C ATOM 1460 C LEU A 111 20.379 -1.552 0.001 1.00 0.00 C ATOM 1461 O LEU A 111 19.616 -2.228 0.689 1.00 0.00 O ATOM 1462 CB LEU A 111 19.828 0.586 -1.255 1.00 0.00 C ATOM 1463 CG LEU A 111 18.387 0.237 -1.659 1.00 0.00 C ATOM 1464 CD1 LEU A 111 18.311 -1.131 -2.320 1.00 0.00 C ATOM 1465 CD2 LEU A 111 17.469 0.300 -0.448 1.00 0.00 C ATOM 0 H LEU A 111 22.228 0.601 -0.578 1.00 0.00 H new ATOM 0 HA LEU A 111 19.684 0.269 0.855 1.00 0.00 H new ATOM 0 HB2 LEU A 111 19.904 1.670 -1.173 1.00 0.00 H new ATOM 0 HB3 LEU A 111 20.490 0.281 -2.065 1.00 0.00 H new ATOM 0 HG LEU A 111 18.055 0.975 -2.389 1.00 0.00 H new ATOM 0 HD11 LEU A 111 17.278 -1.346 -2.593 1.00 0.00 H new ATOM 0 HD12 LEU A 111 18.932 -1.137 -3.216 1.00 0.00 H new ATOM 0 HD13 LEU A 111 18.669 -1.891 -1.625 1.00 0.00 H new ATOM 0 HD21 LEU A 111 16.452 0.051 -0.749 1.00 0.00 H new ATOM 0 HD22 LEU A 111 17.810 -0.412 0.304 1.00 0.00 H new ATOM 0 HD23 LEU A 111 17.487 1.306 -0.030 1.00 0.00 H new ATOM 1477 N GLU A 112 21.304 -2.083 -0.791 1.00 0.00 N ATOM 1478 CA GLU A 112 21.467 -3.522 -0.920 1.00 0.00 C ATOM 1479 C GLU A 112 22.006 -4.116 0.374 1.00 0.00 C ATOM 1480 O GLU A 112 21.834 -5.297 0.635 1.00 0.00 O ATOM 1481 CB GLU A 112 22.433 -3.851 -2.053 1.00 0.00 C ATOM 1482 CG GLU A 112 23.821 -3.314 -1.783 1.00 0.00 C ATOM 1483 CD GLU A 112 24.885 -3.922 -2.670 1.00 0.00 C ATOM 1484 OE1 GLU A 112 24.994 -3.510 -3.845 1.00 0.00 O ATOM 1485 OE2 GLU A 112 25.627 -4.806 -2.193 1.00 0.00 O ATOM 0 H GLU A 112 21.953 -1.534 -1.354 1.00 0.00 H new ATOM 0 HA GLU A 112 20.489 -3.951 -1.139 1.00 0.00 H new ATOM 0 HB2 GLU A 112 22.481 -4.932 -2.187 1.00 0.00 H new ATOM 0 HB3 GLU A 112 22.056 -3.431 -2.985 1.00 0.00 H new ATOM 0 HG2 GLU A 112 23.817 -2.233 -1.922 1.00 0.00 H new ATOM 0 HG3 GLU A 112 24.078 -3.501 -0.740 1.00 0.00 H new ATOM 1492 N VAL A 113 22.673 -3.293 1.177 1.00 0.00 N ATOM 1493 CA VAL A 113 23.233 -3.756 2.439 1.00 0.00 C ATOM 1494 C VAL A 113 22.114 -4.064 3.427 1.00 0.00 C ATOM 1495 O VAL A 113 22.220 -4.963 4.262 1.00 0.00 O ATOM 1496 CB VAL A 113 24.207 -2.720 3.039 1.00 0.00 C ATOM 1497 CG1 VAL A 113 23.470 -1.589 3.721 1.00 0.00 C ATOM 1498 CG2 VAL A 113 25.166 -3.383 4.001 1.00 0.00 C ATOM 0 H VAL A 113 22.838 -2.307 0.976 1.00 0.00 H new ATOM 0 HA VAL A 113 23.798 -4.667 2.242 1.00 0.00 H new ATOM 0 HB VAL A 113 24.778 -2.293 2.215 1.00 0.00 H new ATOM 0 HG11 VAL A 113 24.190 -0.880 4.131 1.00 0.00 H new ATOM 0 HG12 VAL A 113 22.833 -1.081 2.997 1.00 0.00 H new ATOM 0 HG13 VAL A 113 22.856 -1.989 4.528 1.00 0.00 H new ATOM 0 HG21 VAL A 113 25.844 -2.635 4.413 1.00 0.00 H new ATOM 0 HG22 VAL A 113 24.605 -3.849 4.811 1.00 0.00 H new ATOM 0 HG23 VAL A 113 25.742 -4.144 3.474 1.00 0.00 H new ATOM 1508 N LEU A 114 21.036 -3.313 3.298 1.00 0.00 N ATOM 1509 CA LEU A 114 19.853 -3.508 4.119 1.00 0.00 C ATOM 1510 C LEU A 114 19.056 -4.687 3.580 1.00 0.00 C ATOM 1511 O LEU A 114 18.461 -5.456 4.340 1.00 0.00 O ATOM 1512 CB LEU A 114 19.010 -2.221 4.128 1.00 0.00 C ATOM 1513 CG LEU A 114 17.877 -2.156 5.164 1.00 0.00 C ATOM 1514 CD1 LEU A 114 17.557 -0.709 5.501 1.00 0.00 C ATOM 1515 CD2 LEU A 114 16.623 -2.852 4.652 1.00 0.00 C ATOM 0 H LEU A 114 20.955 -2.552 2.623 1.00 0.00 H new ATOM 0 HA LEU A 114 20.143 -3.728 5.146 1.00 0.00 H new ATOM 0 HB2 LEU A 114 19.677 -1.376 4.298 1.00 0.00 H new ATOM 0 HB3 LEU A 114 18.575 -2.090 3.137 1.00 0.00 H new ATOM 0 HG LEU A 114 18.215 -2.672 6.063 1.00 0.00 H new ATOM 0 HD11 LEU A 114 16.753 -0.676 6.236 1.00 0.00 H new ATOM 0 HD12 LEU A 114 18.444 -0.226 5.912 1.00 0.00 H new ATOM 0 HD13 LEU A 114 17.245 -0.186 4.597 1.00 0.00 H new ATOM 0 HD21 LEU A 114 15.839 -2.790 5.406 1.00 0.00 H new ATOM 0 HD22 LEU A 114 16.285 -2.366 3.737 1.00 0.00 H new ATOM 0 HD23 LEU A 114 16.846 -3.899 4.446 1.00 0.00 H new ATOM 1527 N PHE A 115 19.084 -4.846 2.264 1.00 0.00 N ATOM 1528 CA PHE A 115 18.334 -5.913 1.612 1.00 0.00 C ATOM 1529 C PHE A 115 19.060 -7.247 1.763 1.00 0.00 C ATOM 1530 O PHE A 115 18.452 -8.257 2.121 1.00 0.00 O ATOM 1531 CB PHE A 115 18.143 -5.579 0.130 1.00 0.00 C ATOM 1532 CG PHE A 115 17.282 -6.567 -0.606 1.00 0.00 C ATOM 1533 CD1 PHE A 115 15.905 -6.549 -0.460 1.00 0.00 C ATOM 1534 CD2 PHE A 115 17.852 -7.515 -1.444 1.00 0.00 C ATOM 1535 CE1 PHE A 115 15.110 -7.457 -1.136 1.00 0.00 C ATOM 1536 CE2 PHE A 115 17.063 -8.424 -2.122 1.00 0.00 C ATOM 1537 CZ PHE A 115 15.690 -8.396 -1.968 1.00 0.00 C ATOM 0 H PHE A 115 19.616 -4.252 1.628 1.00 0.00 H new ATOM 0 HA PHE A 115 17.357 -5.999 2.088 1.00 0.00 H new ATOM 0 HB2 PHE A 115 17.698 -4.588 0.045 1.00 0.00 H new ATOM 0 HB3 PHE A 115 19.120 -5.532 -0.352 1.00 0.00 H new ATOM 0 HD1 PHE A 115 15.447 -5.818 0.189 1.00 0.00 H new ATOM 0 HD2 PHE A 115 18.925 -7.542 -1.568 1.00 0.00 H new ATOM 0 HE1 PHE A 115 14.037 -7.432 -1.014 1.00 0.00 H new ATOM 0 HE2 PHE A 115 17.519 -9.156 -2.772 1.00 0.00 H new ATOM 0 HZ PHE A 115 15.072 -9.106 -2.497 1.00 0.00 H new ATOM 1721 N LEU A 126 5.125 -6.511 -6.908 1.00 0.00 N ATOM 1722 CA LEU A 126 3.786 -6.480 -6.347 1.00 0.00 C ATOM 1723 C LEU A 126 3.024 -5.304 -6.937 1.00 0.00 C ATOM 1724 O LEU A 126 3.633 -4.340 -7.388 1.00 0.00 O ATOM 1725 CB LEU A 126 3.908 -6.348 -4.817 1.00 0.00 C ATOM 1726 CG LEU A 126 2.608 -6.305 -4.009 1.00 0.00 C ATOM 1727 CD1 LEU A 126 2.863 -6.778 -2.592 1.00 0.00 C ATOM 1728 CD2 LEU A 126 2.000 -4.912 -3.970 1.00 0.00 C ATOM 0 HA LEU A 126 3.241 -7.393 -6.585 1.00 0.00 H new ATOM 0 HB2 LEU A 126 4.504 -7.185 -4.453 1.00 0.00 H new ATOM 0 HB3 LEU A 126 4.470 -5.439 -4.601 1.00 0.00 H new ATOM 0 HG LEU A 126 1.899 -6.967 -4.506 1.00 0.00 H new ATOM 0 HD11 LEU A 126 1.933 -6.744 -2.024 1.00 0.00 H new ATOM 0 HD12 LEU A 126 3.239 -7.801 -2.612 1.00 0.00 H new ATOM 0 HD13 LEU A 126 3.601 -6.130 -2.119 1.00 0.00 H new ATOM 0 HD21 LEU A 126 1.080 -4.933 -3.386 1.00 0.00 H new ATOM 0 HD22 LEU A 126 2.706 -4.220 -3.511 1.00 0.00 H new ATOM 0 HD23 LEU A 126 1.778 -4.584 -4.985 1.00 0.00 H new ATOM 1740 N LYS A 127 1.704 -5.371 -6.927 1.00 0.00 N ATOM 1741 CA LYS A 127 0.894 -4.273 -7.417 1.00 0.00 C ATOM 1742 C LYS A 127 -0.496 -4.275 -6.785 1.00 0.00 C ATOM 1743 O LYS A 127 -1.245 -5.253 -6.877 1.00 0.00 O ATOM 1744 CB LYS A 127 0.796 -4.312 -8.946 1.00 0.00 C ATOM 1745 CG LYS A 127 0.135 -5.562 -9.500 1.00 0.00 C ATOM 1746 CD LYS A 127 0.084 -5.527 -11.016 1.00 0.00 C ATOM 1747 CE LYS A 127 -0.815 -6.616 -11.571 1.00 0.00 C ATOM 1748 NZ LYS A 127 -2.231 -6.434 -11.152 1.00 0.00 N ATOM 0 H LYS A 127 1.173 -6.172 -6.586 1.00 0.00 H new ATOM 0 HA LYS A 127 1.386 -3.345 -7.126 1.00 0.00 H new ATOM 0 HB2 LYS A 127 0.237 -3.440 -9.285 1.00 0.00 H new ATOM 0 HB3 LYS A 127 1.799 -4.230 -9.365 1.00 0.00 H new ATOM 0 HG2 LYS A 127 0.685 -6.444 -9.172 1.00 0.00 H new ATOM 0 HG3 LYS A 127 -0.876 -5.650 -9.101 1.00 0.00 H new ATOM 0 HD2 LYS A 127 -0.278 -4.553 -11.346 1.00 0.00 H new ATOM 0 HD3 LYS A 127 1.090 -5.646 -11.417 1.00 0.00 H new ATOM 0 HE2 LYS A 127 -0.756 -6.616 -12.659 1.00 0.00 H new ATOM 0 HE3 LYS A 127 -0.458 -7.589 -11.232 1.00 0.00 H new ATOM 0 HZ1 LYS A 127 -2.855 -6.950 -11.805 1.00 0.00 H new ATOM 0 HZ2 LYS A 127 -2.358 -6.803 -10.188 1.00 0.00 H new ATOM 0 HZ3 LYS A 127 -2.471 -5.422 -11.170 1.00 0.00 H new ATOM 1762 N VAL A 128 -0.813 -3.181 -6.113 1.00 0.00 N ATOM 1763 CA VAL A 128 -2.148 -2.943 -5.611 1.00 0.00 C ATOM 1764 C VAL A 128 -2.432 -1.437 -5.618 1.00 0.00 C ATOM 1765 O VAL A 128 -2.223 -0.755 -4.605 1.00 0.00 O ATOM 1766 CB VAL A 128 -2.400 -3.594 -4.227 1.00 0.00 C ATOM 1767 CG1 VAL A 128 -1.497 -3.041 -3.143 1.00 0.00 C ATOM 1768 CG2 VAL A 128 -3.861 -3.463 -3.864 1.00 0.00 C ATOM 1769 OXT VAL A 128 -2.819 -0.929 -6.681 1.00 0.00 O ATOM 0 H VAL A 128 -0.150 -2.435 -5.902 1.00 0.00 H new ATOM 0 HA VAL A 128 -2.857 -3.434 -6.278 1.00 0.00 H new ATOM 0 HB VAL A 128 -2.147 -4.652 -4.303 1.00 0.00 H new ATOM 0 HG11 VAL A 128 -1.720 -3.535 -2.197 1.00 0.00 H new ATOM 0 HG12 VAL A 128 -0.456 -3.221 -3.410 1.00 0.00 H new ATOM 0 HG13 VAL A 128 -1.665 -1.969 -3.041 1.00 0.00 H new ATOM 0 HG21 VAL A 128 -4.037 -3.921 -2.891 1.00 0.00 H new ATOM 0 HG22 VAL A 128 -4.132 -2.408 -3.823 1.00 0.00 H new ATOM 0 HG23 VAL A 128 -4.469 -3.965 -4.616 1.00 0.00 H new