USER MOD reduce.3.24.130724 H: found=0, std=0, add=657, rem=0, adj=19 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 27 LYS NZ :NH3+ -176:sc= 2.04 (180deg=1.41) USER MOD Set 1.2: A 31 ASN : amide:sc= -0.152 K(o=1.3,f=-6.2) USER MOD Set 1.3: A 91 GLN : amide:sc= -0.568 K(o=1.3,f=-1.6) USER MOD Set 2.1: A 24 THR OG1 : rot 58:sc= 1.21 USER MOD Set 2.2: A 98 THR OG1 : rot 180:sc=-0.000164 USER MOD Single : A 22 LYS NZ :NH3+ -164:sc= 0.821 (180deg=0.315) USER MOD Single : A 26 GLN : amide:sc= 0 K(o=0,f=-0.71) USER MOD Single : A 30 GLN : amide:sc= -0.205 X(o=-0.2,f=-0.09) USER MOD Single : A 36 SER OG : rot 180:sc= -0.0785 USER MOD Single : A 51 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 55 ASN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 56 THR OG1 : rot -96:sc= 1.21 USER MOD Single : A 63 THR OG1 : rot 180:sc= -0.0243 USER MOD Single : A 71 THR OG1 : rot -32:sc= 0.0846 USER MOD Single : A 74 ASN : amide:sc= -0.852 X(o=-0.85,f=-0.75) USER MOD Single : A 77 SER OG : rot 28:sc= 0.0568 USER MOD Single : A 79 LYS NZ :NH3+ 168:sc=-0.00926 (180deg=-0.142) USER MOD Single : A 81 LYS NZ :NH3+ -162:sc= 1.01 (180deg=0.858) USER MOD Single : A 82 THR OG1 : rot 100:sc= 1.3 USER MOD Single : A 83 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 88 LYS NZ :NH3+ 170:sc=-0.000466 (180deg=-0.0906) USER MOD Single : A 89 MET CE :methyl 163:sc= -0.267 (180deg=-0.873) USER MOD Single : A 94 LYS NZ :NH3+ -162:sc= -0.0594 (180deg=-0.403) USER MOD Single : A 100 HIS :FLIP no HD1:sc= -0.304 F(o=-0.95,f=-0.3) USER MOD Single : A 101 TYR OH : rot 180:sc= 0 USER MOD Single : A 102 ASN : amide:sc= -0.161 K(o=-0.16,f=-0.68) USER MOD Single : A 109 LYS NZ :NH3+ -134:sc= -0.0766 (180deg=-2.06!) USER MOD Single : A 110 GLN : amide:sc= -0.137 K(o=-0.14,f=-0.77) USER MOD Single : A 127 LYS NZ :NH3+ -167:sc= -0.0308 (180deg=-0.216) USER MOD ----------------------------------------------------------------- ATOM 112 N LYS A 22 2.737 5.466 9.036 1.00 0.00 N ATOM 113 CA LYS A 22 2.308 5.865 7.690 1.00 0.00 C ATOM 114 C LYS A 22 0.866 6.368 7.687 1.00 0.00 C ATOM 115 O LYS A 22 0.470 7.126 8.575 1.00 0.00 O ATOM 116 CB LYS A 22 2.497 4.763 6.640 1.00 0.00 C ATOM 117 CG LYS A 22 3.941 4.526 6.250 1.00 0.00 C ATOM 118 CD LYS A 22 4.040 3.605 5.049 1.00 0.00 C ATOM 119 CE LYS A 22 5.475 3.464 4.578 1.00 0.00 C ATOM 120 NZ LYS A 22 6.089 4.778 4.270 1.00 0.00 N ATOM 0 HA LYS A 22 2.965 6.686 7.404 1.00 0.00 H new ATOM 0 HB2 LYS A 22 2.078 3.833 7.024 1.00 0.00 H new ATOM 0 HB3 LYS A 22 1.928 5.024 5.748 1.00 0.00 H new ATOM 0 HG2 LYS A 22 4.420 5.478 6.022 1.00 0.00 H new ATOM 0 HG3 LYS A 22 4.481 4.091 7.091 1.00 0.00 H new ATOM 0 HD2 LYS A 22 3.642 2.624 5.307 1.00 0.00 H new ATOM 0 HD3 LYS A 22 3.426 3.995 4.238 1.00 0.00 H new ATOM 0 HE2 LYS A 22 6.061 2.961 5.347 1.00 0.00 H new ATOM 0 HE3 LYS A 22 5.505 2.833 3.690 1.00 0.00 H new ATOM 0 HZ1 LYS A 22 6.951 4.635 3.706 1.00 0.00 H new ATOM 0 HZ2 LYS A 22 5.415 5.358 3.731 1.00 0.00 H new ATOM 0 HZ3 LYS A 22 6.333 5.264 5.157 1.00 0.00 H new ATOM 134 N VAL A 23 0.078 5.946 6.700 1.00 0.00 N ATOM 135 CA VAL A 23 -1.172 6.630 6.388 1.00 0.00 C ATOM 136 C VAL A 23 -2.292 5.653 6.044 1.00 0.00 C ATOM 137 O VAL A 23 -2.048 4.481 5.753 1.00 0.00 O ATOM 138 CB VAL A 23 -0.978 7.620 5.216 1.00 0.00 C ATOM 139 CG1 VAL A 23 0.064 8.657 5.565 1.00 0.00 C ATOM 140 CG2 VAL A 23 -0.569 6.895 3.949 1.00 0.00 C ATOM 0 H VAL A 23 0.282 5.141 6.108 1.00 0.00 H new ATOM 0 HA VAL A 23 -1.461 7.177 7.285 1.00 0.00 H new ATOM 0 HB VAL A 23 -1.933 8.115 5.041 1.00 0.00 H new ATOM 0 HG11 VAL A 23 0.187 9.345 4.729 1.00 0.00 H new ATOM 0 HG12 VAL A 23 -0.256 9.212 6.447 1.00 0.00 H new ATOM 0 HG13 VAL A 23 1.014 8.163 5.772 1.00 0.00 H new ATOM 0 HG21 VAL A 23 -0.440 7.617 3.142 1.00 0.00 H new ATOM 0 HG22 VAL A 23 0.370 6.368 4.118 1.00 0.00 H new ATOM 0 HG23 VAL A 23 -1.343 6.178 3.674 1.00 0.00 H new ATOM 150 N THR A 24 -3.523 6.134 6.124 1.00 0.00 N ATOM 151 CA THR A 24 -4.678 5.354 5.722 1.00 0.00 C ATOM 152 C THR A 24 -5.473 6.095 4.645 1.00 0.00 C ATOM 153 O THR A 24 -5.878 7.244 4.831 1.00 0.00 O ATOM 154 CB THR A 24 -5.588 5.014 6.927 1.00 0.00 C ATOM 155 OG1 THR A 24 -6.804 4.395 6.477 1.00 0.00 O ATOM 156 CG2 THR A 24 -5.912 6.255 7.748 1.00 0.00 C ATOM 0 H THR A 24 -3.746 7.068 6.467 1.00 0.00 H new ATOM 0 HA THR A 24 -4.313 4.413 5.310 1.00 0.00 H new ATOM 0 HB THR A 24 -5.044 4.317 7.565 1.00 0.00 H new ATOM 0 HG1 THR A 24 -6.590 3.588 5.964 1.00 0.00 H new ATOM 0 HG21 THR A 24 -6.553 5.980 8.586 1.00 0.00 H new ATOM 0 HG22 THR A 24 -4.988 6.693 8.126 1.00 0.00 H new ATOM 0 HG23 THR A 24 -6.428 6.982 7.121 1.00 0.00 H new ATOM 164 N LEU A 25 -5.671 5.437 3.509 1.00 0.00 N ATOM 165 CA LEU A 25 -6.421 6.018 2.400 1.00 0.00 C ATOM 166 C LEU A 25 -7.654 5.176 2.115 1.00 0.00 C ATOM 167 O LEU A 25 -8.021 4.305 2.908 1.00 0.00 O ATOM 168 CB LEU A 25 -5.567 6.096 1.122 1.00 0.00 C ATOM 169 CG LEU A 25 -4.336 7.001 1.174 1.00 0.00 C ATOM 170 CD1 LEU A 25 -4.656 8.310 1.872 1.00 0.00 C ATOM 171 CD2 LEU A 25 -3.178 6.294 1.844 1.00 0.00 C ATOM 0 H LEU A 25 -5.321 4.496 3.330 1.00 0.00 H new ATOM 0 HA LEU A 25 -6.710 7.028 2.689 1.00 0.00 H new ATOM 0 HB2 LEU A 25 -5.238 5.088 0.870 1.00 0.00 H new ATOM 0 HB3 LEU A 25 -6.205 6.436 0.306 1.00 0.00 H new ATOM 0 HG LEU A 25 -4.041 7.233 0.151 1.00 0.00 H new ATOM 0 HD11 LEU A 25 -3.765 8.937 1.896 1.00 0.00 H new ATOM 0 HD12 LEU A 25 -5.448 8.827 1.330 1.00 0.00 H new ATOM 0 HD13 LEU A 25 -4.985 8.108 2.891 1.00 0.00 H new ATOM 0 HD21 LEU A 25 -2.313 6.957 1.870 1.00 0.00 H new ATOM 0 HD22 LEU A 25 -3.457 6.022 2.862 1.00 0.00 H new ATOM 0 HD23 LEU A 25 -2.928 5.393 1.283 1.00 0.00 H new ATOM 183 N GLN A 26 -8.271 5.427 0.972 1.00 0.00 N ATOM 184 CA GLN A 26 -9.426 4.688 0.547 1.00 0.00 C ATOM 185 C GLN A 26 -9.213 4.161 -0.847 1.00 0.00 C ATOM 186 O GLN A 26 -8.498 4.757 -1.643 1.00 0.00 O ATOM 187 CB GLN A 26 -10.685 5.542 0.604 1.00 0.00 C ATOM 188 CG GLN A 26 -11.198 5.744 2.011 1.00 0.00 C ATOM 189 CD GLN A 26 -12.434 6.616 2.061 1.00 0.00 C ATOM 190 OE1 GLN A 26 -12.631 7.492 1.218 1.00 0.00 O ATOM 191 NE2 GLN A 26 -13.278 6.383 3.051 1.00 0.00 N ATOM 0 H GLN A 26 -7.977 6.153 0.318 1.00 0.00 H new ATOM 0 HA GLN A 26 -9.563 3.850 1.231 1.00 0.00 H new ATOM 0 HB2 GLN A 26 -10.479 6.514 0.155 1.00 0.00 H new ATOM 0 HB3 GLN A 26 -11.464 5.072 0.003 1.00 0.00 H new ATOM 0 HG2 GLN A 26 -11.424 4.774 2.454 1.00 0.00 H new ATOM 0 HG3 GLN A 26 -10.414 6.197 2.618 1.00 0.00 H new ATOM 0 HE21 GLN A 26 -13.078 5.648 3.729 1.00 0.00 H new ATOM 0 HE22 GLN A 26 -14.129 6.938 3.137 1.00 0.00 H new ATOM 200 N LYS A 27 -9.830 3.031 -1.108 1.00 0.00 N ATOM 201 CA LYS A 27 -9.708 2.347 -2.391 1.00 0.00 C ATOM 202 C LYS A 27 -10.010 3.279 -3.559 1.00 0.00 C ATOM 203 O LYS A 27 -10.866 4.161 -3.478 1.00 0.00 O ATOM 204 CB LYS A 27 -10.685 1.178 -2.477 1.00 0.00 C ATOM 205 CG LYS A 27 -10.610 0.193 -1.331 1.00 0.00 C ATOM 206 CD LYS A 27 -9.237 -0.420 -1.245 1.00 0.00 C ATOM 207 CE LYS A 27 -9.272 -1.792 -0.607 1.00 0.00 C ATOM 208 NZ LYS A 27 -9.806 -2.819 -1.534 1.00 0.00 N ATOM 0 H LYS A 27 -10.434 2.553 -0.440 1.00 0.00 H new ATOM 0 HA LYS A 27 -8.678 1.996 -2.454 1.00 0.00 H new ATOM 0 HB2 LYS A 27 -11.699 1.575 -2.529 1.00 0.00 H new ATOM 0 HB3 LYS A 27 -10.505 0.642 -3.409 1.00 0.00 H new ATOM 0 HG2 LYS A 27 -10.848 0.698 -0.395 1.00 0.00 H new ATOM 0 HG3 LYS A 27 -11.355 -0.590 -1.469 1.00 0.00 H new ATOM 0 HD2 LYS A 27 -8.809 -0.495 -2.245 1.00 0.00 H new ATOM 0 HD3 LYS A 27 -8.583 0.233 -0.667 1.00 0.00 H new ATOM 0 HE2 LYS A 27 -8.266 -2.073 -0.294 1.00 0.00 H new ATOM 0 HE3 LYS A 27 -9.888 -1.759 0.292 1.00 0.00 H new ATOM 0 HZ1 LYS A 27 -9.877 -3.731 -1.038 1.00 0.00 H new ATOM 0 HZ2 LYS A 27 -10.748 -2.531 -1.866 1.00 0.00 H new ATOM 0 HZ3 LYS A 27 -9.167 -2.917 -2.349 1.00 0.00 H new ATOM 222 N ASP A 28 -9.309 3.039 -4.645 1.00 0.00 N ATOM 223 CA ASP A 28 -9.521 3.754 -5.895 1.00 0.00 C ATOM 224 C ASP A 28 -10.675 3.095 -6.650 1.00 0.00 C ATOM 225 O ASP A 28 -11.235 2.114 -6.163 1.00 0.00 O ATOM 226 CB ASP A 28 -8.222 3.722 -6.725 1.00 0.00 C ATOM 227 CG ASP A 28 -8.299 4.496 -8.029 1.00 0.00 C ATOM 228 OD1 ASP A 28 -8.301 5.743 -7.992 1.00 0.00 O ATOM 229 OD2 ASP A 28 -8.362 3.856 -9.100 1.00 0.00 O ATOM 0 H ASP A 28 -8.569 2.338 -4.691 1.00 0.00 H new ATOM 0 HA ASP A 28 -9.778 4.796 -5.703 1.00 0.00 H new ATOM 0 HB2 ASP A 28 -7.409 4.127 -6.122 1.00 0.00 H new ATOM 0 HB3 ASP A 28 -7.970 2.685 -6.945 1.00 0.00 H new ATOM 234 N ALA A 29 -11.028 3.603 -7.821 1.00 0.00 N ATOM 235 CA ALA A 29 -12.079 2.997 -8.634 1.00 0.00 C ATOM 236 C ALA A 29 -11.736 1.548 -8.984 1.00 0.00 C ATOM 237 O ALA A 29 -12.615 0.741 -9.283 1.00 0.00 O ATOM 238 CB ALA A 29 -12.290 3.807 -9.902 1.00 0.00 C ATOM 0 H ALA A 29 -10.603 4.434 -8.232 1.00 0.00 H new ATOM 0 HA ALA A 29 -13.001 2.996 -8.053 1.00 0.00 H new ATOM 0 HB1 ALA A 29 -13.076 3.347 -10.501 1.00 0.00 H new ATOM 0 HB2 ALA A 29 -12.582 4.824 -9.640 1.00 0.00 H new ATOM 0 HB3 ALA A 29 -11.364 3.832 -10.476 1.00 0.00 H new ATOM 244 N GLN A 30 -10.448 1.231 -8.928 1.00 0.00 N ATOM 245 CA GLN A 30 -9.953 -0.098 -9.229 1.00 0.00 C ATOM 246 C GLN A 30 -9.865 -0.947 -7.968 1.00 0.00 C ATOM 247 O GLN A 30 -9.289 -2.034 -7.973 1.00 0.00 O ATOM 248 CB GLN A 30 -8.598 0.041 -9.853 1.00 0.00 C ATOM 249 CG GLN A 30 -8.518 -0.575 -11.235 1.00 0.00 C ATOM 250 CD GLN A 30 -8.593 -2.088 -11.206 1.00 0.00 C ATOM 251 OE1 GLN A 30 -9.676 -2.668 -11.270 1.00 0.00 O ATOM 252 NE2 GLN A 30 -7.443 -2.735 -11.112 1.00 0.00 N ATOM 0 H GLN A 30 -9.718 1.895 -8.671 1.00 0.00 H new ATOM 0 HA GLN A 30 -10.639 -0.597 -9.913 1.00 0.00 H new ATOM 0 HB2 GLN A 30 -8.340 1.098 -9.917 1.00 0.00 H new ATOM 0 HB3 GLN A 30 -7.857 -0.430 -9.208 1.00 0.00 H new ATOM 0 HG2 GLN A 30 -9.331 -0.187 -11.849 1.00 0.00 H new ATOM 0 HG3 GLN A 30 -7.586 -0.271 -11.711 1.00 0.00 H new ATOM 0 HE21 GLN A 30 -6.567 -2.214 -11.061 1.00 0.00 H new ATOM 0 HE22 GLN A 30 -7.432 -3.755 -11.090 1.00 0.00 H new ATOM 261 N ASN A 31 -10.412 -0.402 -6.890 1.00 0.00 N ATOM 262 CA ASN A 31 -10.522 -1.105 -5.597 1.00 0.00 C ATOM 263 C ASN A 31 -9.162 -1.223 -4.911 1.00 0.00 C ATOM 264 O ASN A 31 -9.008 -1.917 -3.914 1.00 0.00 O ATOM 265 CB ASN A 31 -11.130 -2.500 -5.813 1.00 0.00 C ATOM 266 CG ASN A 31 -11.273 -3.326 -4.540 1.00 0.00 C ATOM 267 OD1 ASN A 31 -11.666 -2.815 -3.487 1.00 0.00 O ATOM 268 ND2 ASN A 31 -10.907 -4.603 -4.622 1.00 0.00 N ATOM 0 H ASN A 31 -10.796 0.543 -6.877 1.00 0.00 H new ATOM 0 HA ASN A 31 -11.174 -0.522 -4.947 1.00 0.00 H new ATOM 0 HB2 ASN A 31 -12.112 -2.388 -6.272 1.00 0.00 H new ATOM 0 HB3 ASN A 31 -10.508 -3.049 -6.520 1.00 0.00 H new ATOM 0 HD21 ASN A 31 -10.945 -5.199 -3.795 1.00 0.00 H new ATOM 0 HD22 ASN A 31 -10.588 -4.986 -5.512 1.00 0.00 H new ATOM 275 N LEU A 32 -8.186 -0.508 -5.416 1.00 0.00 N ATOM 276 CA LEU A 32 -6.828 -0.632 -4.906 1.00 0.00 C ATOM 277 C LEU A 32 -6.244 0.714 -4.519 1.00 0.00 C ATOM 278 O LEU A 32 -6.967 1.705 -4.436 1.00 0.00 O ATOM 279 CB LEU A 32 -5.959 -1.328 -5.953 1.00 0.00 C ATOM 280 CG LEU A 32 -6.222 -0.904 -7.403 1.00 0.00 C ATOM 281 CD1 LEU A 32 -5.793 0.534 -7.656 1.00 0.00 C ATOM 282 CD2 LEU A 32 -5.515 -1.840 -8.360 1.00 0.00 C ATOM 0 H LEU A 32 -8.298 0.164 -6.175 1.00 0.00 H new ATOM 0 HA LEU A 32 -6.852 -1.234 -3.997 1.00 0.00 H new ATOM 0 HB2 LEU A 32 -4.912 -1.136 -5.719 1.00 0.00 H new ATOM 0 HB3 LEU A 32 -6.112 -2.404 -5.872 1.00 0.00 H new ATOM 0 HG LEU A 32 -7.297 -0.963 -7.575 1.00 0.00 H new ATOM 0 HD11 LEU A 32 -5.996 0.797 -8.694 1.00 0.00 H new ATOM 0 HD12 LEU A 32 -6.350 1.201 -6.998 1.00 0.00 H new ATOM 0 HD13 LEU A 32 -4.726 0.636 -7.457 1.00 0.00 H new ATOM 0 HD21 LEU A 32 -5.710 -1.527 -9.386 1.00 0.00 H new ATOM 0 HD22 LEU A 32 -4.442 -1.812 -8.170 1.00 0.00 H new ATOM 0 HD23 LEU A 32 -5.883 -2.856 -8.214 1.00 0.00 H new ATOM 294 N ILE A 33 -4.943 0.744 -4.277 1.00 0.00 N ATOM 295 CA ILE A 33 -4.287 1.943 -3.831 1.00 0.00 C ATOM 296 C ILE A 33 -3.535 2.644 -4.955 1.00 0.00 C ATOM 297 O ILE A 33 -3.365 3.859 -4.920 1.00 0.00 O ATOM 298 CB ILE A 33 -3.335 1.635 -2.669 1.00 0.00 C ATOM 299 CG1 ILE A 33 -3.097 0.116 -2.525 1.00 0.00 C ATOM 300 CG2 ILE A 33 -3.913 2.219 -1.394 1.00 0.00 C ATOM 301 CD1 ILE A 33 -2.059 -0.235 -1.482 1.00 0.00 C ATOM 0 H ILE A 33 -4.324 -0.060 -4.386 1.00 0.00 H new ATOM 0 HA ILE A 33 -5.066 2.623 -3.487 1.00 0.00 H new ATOM 0 HB ILE A 33 -2.365 2.090 -2.870 1.00 0.00 H new ATOM 0 HG12 ILE A 33 -4.039 -0.369 -2.267 1.00 0.00 H new ATOM 0 HG13 ILE A 33 -2.784 -0.288 -3.488 1.00 0.00 H new ATOM 0 HG21 ILE A 33 -3.244 2.006 -0.560 1.00 0.00 H new ATOM 0 HG22 ILE A 33 -4.022 3.298 -1.505 1.00 0.00 H new ATOM 0 HG23 ILE A 33 -4.889 1.773 -1.199 1.00 0.00 H new ATOM 0 HD11 ILE A 33 -1.943 -1.318 -1.434 1.00 0.00 H new ATOM 0 HD12 ILE A 33 -1.106 0.221 -1.750 1.00 0.00 H new ATOM 0 HD13 ILE A 33 -2.380 0.139 -0.510 1.00 0.00 H new ATOM 313 N GLY A 34 -3.108 1.880 -5.955 1.00 0.00 N ATOM 314 CA GLY A 34 -2.400 2.456 -7.086 1.00 0.00 C ATOM 315 C GLY A 34 -0.892 2.305 -6.986 1.00 0.00 C ATOM 316 O GLY A 34 -0.147 3.170 -7.453 1.00 0.00 O ATOM 0 H GLY A 34 -3.240 0.870 -6.003 1.00 0.00 H new ATOM 0 HA2 GLY A 34 -2.746 1.981 -8.004 1.00 0.00 H new ATOM 0 HA3 GLY A 34 -2.649 3.515 -7.162 1.00 0.00 H new ATOM 320 N ILE A 35 -0.434 1.206 -6.395 1.00 0.00 N ATOM 321 CA ILE A 35 1.000 0.984 -6.197 1.00 0.00 C ATOM 322 C ILE A 35 1.459 -0.346 -6.775 1.00 0.00 C ATOM 323 O ILE A 35 0.657 -1.177 -7.202 1.00 0.00 O ATOM 324 CB ILE A 35 1.385 1.027 -4.701 1.00 0.00 C ATOM 325 CG1 ILE A 35 0.526 0.067 -3.879 1.00 0.00 C ATOM 326 CG2 ILE A 35 1.274 2.435 -4.153 1.00 0.00 C ATOM 327 CD1 ILE A 35 1.065 -1.343 -3.807 1.00 0.00 C ATOM 0 H ILE A 35 -1.030 0.456 -6.045 1.00 0.00 H new ATOM 0 HA ILE A 35 1.500 1.795 -6.726 1.00 0.00 H new ATOM 0 HB ILE A 35 2.424 0.706 -4.621 1.00 0.00 H new ATOM 0 HG12 ILE A 35 0.431 0.459 -2.867 1.00 0.00 H new ATOM 0 HG13 ILE A 35 -0.477 0.039 -4.306 1.00 0.00 H new ATOM 0 HG21 ILE A 35 1.550 2.438 -3.099 1.00 0.00 H new ATOM 0 HG22 ILE A 35 1.944 3.094 -4.705 1.00 0.00 H new ATOM 0 HG23 ILE A 35 0.248 2.787 -4.260 1.00 0.00 H new ATOM 0 HD11 ILE A 35 0.396 -1.958 -3.205 1.00 0.00 H new ATOM 0 HD12 ILE A 35 1.134 -1.758 -4.813 1.00 0.00 H new ATOM 0 HD13 ILE A 35 2.055 -1.331 -3.351 1.00 0.00 H new ATOM 339 N SER A 36 2.766 -0.530 -6.767 1.00 0.00 N ATOM 340 CA SER A 36 3.381 -1.777 -7.170 1.00 0.00 C ATOM 341 C SER A 36 4.527 -2.121 -6.240 1.00 0.00 C ATOM 342 O SER A 36 5.417 -1.301 -5.992 1.00 0.00 O ATOM 343 CB SER A 36 3.853 -1.705 -8.617 1.00 0.00 C ATOM 344 OG SER A 36 2.736 -1.714 -9.474 1.00 0.00 O ATOM 0 H SER A 36 3.433 0.186 -6.479 1.00 0.00 H new ATOM 0 HA SER A 36 2.636 -2.569 -7.103 1.00 0.00 H new ATOM 0 HB2 SER A 36 4.439 -0.800 -8.775 1.00 0.00 H new ATOM 0 HB3 SER A 36 4.504 -2.550 -8.841 1.00 0.00 H new ATOM 0 HG SER A 36 3.038 -1.666 -10.405 1.00 0.00 H new ATOM 350 N ILE A 37 4.480 -3.330 -5.720 1.00 0.00 N ATOM 351 CA ILE A 37 5.457 -3.776 -4.739 1.00 0.00 C ATOM 352 C ILE A 37 6.450 -4.771 -5.336 1.00 0.00 C ATOM 353 O ILE A 37 6.077 -5.843 -5.821 1.00 0.00 O ATOM 354 CB ILE A 37 4.787 -4.385 -3.482 1.00 0.00 C ATOM 355 CG1 ILE A 37 3.942 -3.324 -2.770 1.00 0.00 C ATOM 356 CG2 ILE A 37 5.829 -4.962 -2.533 1.00 0.00 C ATOM 357 CD1 ILE A 37 3.244 -3.829 -1.524 1.00 0.00 C ATOM 0 H ILE A 37 3.774 -4.026 -5.959 1.00 0.00 H new ATOM 0 HA ILE A 37 6.005 -2.885 -4.432 1.00 0.00 H new ATOM 0 HB ILE A 37 4.136 -5.199 -3.801 1.00 0.00 H new ATOM 0 HG12 ILE A 37 4.583 -2.484 -2.500 1.00 0.00 H new ATOM 0 HG13 ILE A 37 3.193 -2.944 -3.465 1.00 0.00 H new ATOM 0 HG21 ILE A 37 5.332 -5.383 -1.659 1.00 0.00 H new ATOM 0 HG22 ILE A 37 6.392 -5.744 -3.042 1.00 0.00 H new ATOM 0 HG23 ILE A 37 6.511 -4.172 -2.217 1.00 0.00 H new ATOM 0 HD11 ILE A 37 2.666 -3.020 -1.077 1.00 0.00 H new ATOM 0 HD12 ILE A 37 2.576 -4.649 -1.788 1.00 0.00 H new ATOM 0 HD13 ILE A 37 3.987 -4.182 -0.809 1.00 0.00 H new ATOM 369 N GLY A 38 7.716 -4.386 -5.283 1.00 0.00 N ATOM 370 CA GLY A 38 8.807 -5.212 -5.750 1.00 0.00 C ATOM 371 C GLY A 38 10.081 -4.884 -4.994 1.00 0.00 C ATOM 372 O GLY A 38 10.021 -4.327 -3.898 1.00 0.00 O ATOM 0 H GLY A 38 8.012 -3.484 -4.911 1.00 0.00 H new ATOM 0 HA2 GLY A 38 8.558 -6.265 -5.616 1.00 0.00 H new ATOM 0 HA3 GLY A 38 8.960 -5.054 -6.818 1.00 0.00 H new ATOM 514 N ILE A 49 7.740 -0.732 -2.096 1.00 0.00 N ATOM 515 CA ILE A 49 7.018 0.110 -3.035 1.00 0.00 C ATOM 516 C ILE A 49 7.984 0.670 -4.091 1.00 0.00 C ATOM 517 O ILE A 49 8.938 1.394 -3.790 1.00 0.00 O ATOM 518 CB ILE A 49 6.186 1.217 -2.326 1.00 0.00 C ATOM 519 CG1 ILE A 49 4.936 1.557 -3.144 1.00 0.00 C ATOM 520 CG2 ILE A 49 7.000 2.474 -2.089 1.00 0.00 C ATOM 521 CD1 ILE A 49 5.187 2.540 -4.269 1.00 0.00 C ATOM 0 HA ILE A 49 6.283 -0.508 -3.551 1.00 0.00 H new ATOM 0 HB ILE A 49 5.888 0.822 -1.355 1.00 0.00 H new ATOM 0 HG12 ILE A 49 4.527 0.638 -3.563 1.00 0.00 H new ATOM 0 HG13 ILE A 49 4.178 1.969 -2.477 1.00 0.00 H new ATOM 0 HG21 ILE A 49 6.380 3.220 -1.592 1.00 0.00 H new ATOM 0 HG22 ILE A 49 7.859 2.238 -1.460 1.00 0.00 H new ATOM 0 HG23 ILE A 49 7.347 2.868 -3.044 1.00 0.00 H new ATOM 0 HD11 ILE A 49 4.255 2.730 -4.801 1.00 0.00 H new ATOM 0 HD12 ILE A 49 5.567 3.475 -3.857 1.00 0.00 H new ATOM 0 HD13 ILE A 49 5.920 2.123 -4.959 1.00 0.00 H new ATOM 533 N VAL A 50 7.763 0.267 -5.334 1.00 0.00 N ATOM 534 CA VAL A 50 8.644 0.652 -6.428 1.00 0.00 C ATOM 535 C VAL A 50 7.935 1.596 -7.392 1.00 0.00 C ATOM 536 O VAL A 50 8.573 2.378 -8.098 1.00 0.00 O ATOM 537 CB VAL A 50 9.152 -0.593 -7.196 1.00 0.00 C ATOM 538 CG1 VAL A 50 10.119 -0.205 -8.307 1.00 0.00 C ATOM 539 CG2 VAL A 50 9.812 -1.573 -6.240 1.00 0.00 C ATOM 0 H VAL A 50 6.981 -0.327 -5.611 1.00 0.00 H new ATOM 0 HA VAL A 50 9.499 1.169 -5.993 1.00 0.00 H new ATOM 0 HB VAL A 50 8.289 -1.075 -7.656 1.00 0.00 H new ATOM 0 HG11 VAL A 50 10.456 -1.102 -8.826 1.00 0.00 H new ATOM 0 HG12 VAL A 50 9.616 0.455 -9.013 1.00 0.00 H new ATOM 0 HG13 VAL A 50 10.978 0.310 -7.878 1.00 0.00 H new ATOM 0 HG21 VAL A 50 10.164 -2.442 -6.796 1.00 0.00 H new ATOM 0 HG22 VAL A 50 10.657 -1.090 -5.750 1.00 0.00 H new ATOM 0 HG23 VAL A 50 9.089 -1.891 -5.488 1.00 0.00 H new ATOM 549 N GLN A 51 6.610 1.544 -7.405 1.00 0.00 N ATOM 550 CA GLN A 51 5.835 2.350 -8.321 1.00 0.00 C ATOM 551 C GLN A 51 4.518 2.765 -7.742 1.00 0.00 C ATOM 552 O GLN A 51 3.869 2.017 -7.012 1.00 0.00 O ATOM 553 CB GLN A 51 5.583 1.621 -9.621 1.00 0.00 C ATOM 554 CG GLN A 51 6.559 2.025 -10.676 1.00 0.00 C ATOM 555 CD GLN A 51 6.435 1.208 -11.920 1.00 0.00 C ATOM 556 OE1 GLN A 51 7.062 0.160 -12.065 1.00 0.00 O ATOM 557 NE2 GLN A 51 5.637 1.687 -12.835 1.00 0.00 N ATOM 0 H GLN A 51 6.055 0.950 -6.789 1.00 0.00 H new ATOM 0 HA GLN A 51 6.432 3.243 -8.509 1.00 0.00 H new ATOM 0 HB2 GLN A 51 5.650 0.546 -9.455 1.00 0.00 H new ATOM 0 HB3 GLN A 51 4.569 1.828 -9.964 1.00 0.00 H new ATOM 0 HG2 GLN A 51 6.409 3.077 -10.921 1.00 0.00 H new ATOM 0 HG3 GLN A 51 7.572 1.930 -10.284 1.00 0.00 H new ATOM 0 HE21 GLN A 51 5.137 2.561 -12.669 1.00 0.00 H new ATOM 0 HE22 GLN A 51 5.513 1.188 -13.716 1.00 0.00 H new ATOM 566 N VAL A 52 4.149 3.967 -8.085 1.00 0.00 N ATOM 567 CA VAL A 52 2.860 4.509 -7.720 1.00 0.00 C ATOM 568 C VAL A 52 2.331 5.365 -8.860 1.00 0.00 C ATOM 569 O VAL A 52 3.093 5.798 -9.726 1.00 0.00 O ATOM 570 CB VAL A 52 2.934 5.336 -6.420 1.00 0.00 C ATOM 571 CG1 VAL A 52 3.597 6.682 -6.656 1.00 0.00 C ATOM 572 CG2 VAL A 52 1.557 5.507 -5.804 1.00 0.00 C ATOM 0 H VAL A 52 4.732 4.605 -8.627 1.00 0.00 H new ATOM 0 HA VAL A 52 2.180 3.677 -7.537 1.00 0.00 H new ATOM 0 HB VAL A 52 3.553 4.784 -5.713 1.00 0.00 H new ATOM 0 HG11 VAL A 52 3.633 7.239 -5.720 1.00 0.00 H new ATOM 0 HG12 VAL A 52 4.611 6.528 -7.026 1.00 0.00 H new ATOM 0 HG13 VAL A 52 3.024 7.246 -7.392 1.00 0.00 H new ATOM 0 HG21 VAL A 52 1.638 6.094 -4.889 1.00 0.00 H new ATOM 0 HG22 VAL A 52 0.905 6.022 -6.509 1.00 0.00 H new ATOM 0 HG23 VAL A 52 1.138 4.528 -5.571 1.00 0.00 H new ATOM 582 N PHE A 53 1.039 5.600 -8.871 1.00 0.00 N ATOM 583 CA PHE A 53 0.434 6.452 -9.858 1.00 0.00 C ATOM 584 C PHE A 53 -0.170 7.647 -9.137 1.00 0.00 C ATOM 585 O PHE A 53 -0.955 7.500 -8.206 1.00 0.00 O ATOM 586 CB PHE A 53 -0.602 5.678 -10.680 1.00 0.00 C ATOM 587 CG PHE A 53 -0.093 4.361 -11.208 1.00 0.00 C ATOM 588 CD1 PHE A 53 1.041 4.301 -12.005 1.00 0.00 C ATOM 589 CD2 PHE A 53 -0.749 3.180 -10.896 1.00 0.00 C ATOM 590 CE1 PHE A 53 1.510 3.089 -12.480 1.00 0.00 C ATOM 591 CE2 PHE A 53 -0.284 1.967 -11.368 1.00 0.00 C ATOM 592 CZ PHE A 53 0.845 1.922 -12.161 1.00 0.00 C ATOM 0 H PHE A 53 0.383 5.205 -8.197 1.00 0.00 H new ATOM 0 HA PHE A 53 1.178 6.808 -10.570 1.00 0.00 H new ATOM 0 HB2 PHE A 53 -1.481 5.497 -10.062 1.00 0.00 H new ATOM 0 HB3 PHE A 53 -0.923 6.296 -11.518 1.00 0.00 H new ATOM 0 HD1 PHE A 53 1.564 5.211 -12.258 1.00 0.00 H new ATOM 0 HD2 PHE A 53 -1.634 3.208 -10.277 1.00 0.00 H new ATOM 0 HE1 PHE A 53 2.394 3.056 -13.099 1.00 0.00 H new ATOM 0 HE2 PHE A 53 -0.804 1.054 -11.116 1.00 0.00 H new ATOM 0 HZ PHE A 53 1.208 0.975 -12.532 1.00 0.00 H new ATOM 602 N ASP A 54 0.221 8.814 -9.585 1.00 0.00 N ATOM 603 CA ASP A 54 0.052 10.086 -8.858 1.00 0.00 C ATOM 604 C ASP A 54 -1.402 10.416 -8.495 1.00 0.00 C ATOM 605 O ASP A 54 -1.659 11.165 -7.551 1.00 0.00 O ATOM 606 CB ASP A 54 0.645 11.223 -9.691 1.00 0.00 C ATOM 607 CG ASP A 54 0.644 12.551 -8.963 1.00 0.00 C ATOM 608 OD1 ASP A 54 1.396 12.696 -7.978 1.00 0.00 O ATOM 609 OD2 ASP A 54 -0.096 13.464 -9.382 1.00 0.00 O ATOM 0 H ASP A 54 0.680 8.928 -10.489 1.00 0.00 H new ATOM 0 HA ASP A 54 0.579 9.972 -7.910 1.00 0.00 H new ATOM 0 HB2 ASP A 54 1.668 10.968 -9.969 1.00 0.00 H new ATOM 0 HB3 ASP A 54 0.078 11.322 -10.617 1.00 0.00 H new ATOM 614 N ASN A 55 -2.338 9.830 -9.211 1.00 0.00 N ATOM 615 CA ASN A 55 -3.748 10.162 -9.067 1.00 0.00 C ATOM 616 C ASN A 55 -4.452 9.109 -8.235 1.00 0.00 C ATOM 617 O ASN A 55 -5.673 9.130 -8.079 1.00 0.00 O ATOM 618 CB ASN A 55 -4.422 10.286 -10.435 1.00 0.00 C ATOM 619 CG ASN A 55 -3.978 11.524 -11.189 1.00 0.00 C ATOM 620 OD1 ASN A 55 -4.579 12.588 -11.063 1.00 0.00 O ATOM 621 ND2 ASN A 55 -2.923 11.395 -11.978 1.00 0.00 N ATOM 0 H ASN A 55 -2.148 9.111 -9.909 1.00 0.00 H new ATOM 0 HA ASN A 55 -3.821 11.124 -8.560 1.00 0.00 H new ATOM 0 HB2 ASN A 55 -4.196 9.401 -11.030 1.00 0.00 H new ATOM 0 HB3 ASN A 55 -5.504 10.313 -10.303 1.00 0.00 H new ATOM 0 HD21 ASN A 55 -2.582 12.197 -12.509 1.00 0.00 H new ATOM 0 HD22 ASN A 55 -2.451 10.494 -12.055 1.00 0.00 H new ATOM 628 N THR A 56 -3.674 8.186 -7.699 1.00 0.00 N ATOM 629 CA THR A 56 -4.219 7.099 -6.913 1.00 0.00 C ATOM 630 C THR A 56 -4.113 7.467 -5.458 1.00 0.00 C ATOM 631 O THR A 56 -3.181 8.173 -5.100 1.00 0.00 O ATOM 632 CB THR A 56 -3.448 5.794 -7.162 1.00 0.00 C ATOM 633 OG1 THR A 56 -2.142 5.878 -6.573 1.00 0.00 O ATOM 634 CG2 THR A 56 -3.296 5.561 -8.643 1.00 0.00 C ATOM 0 H THR A 56 -2.659 8.170 -7.796 1.00 0.00 H new ATOM 0 HA THR A 56 -5.258 6.939 -7.200 1.00 0.00 H new ATOM 0 HB THR A 56 -4.004 4.971 -6.714 1.00 0.00 H new ATOM 0 HG1 THR A 56 -1.492 6.149 -7.255 1.00 0.00 H new ATOM 0 HG21 THR A 56 -2.748 4.634 -8.811 1.00 0.00 H new ATOM 0 HG22 THR A 56 -4.282 5.489 -9.103 1.00 0.00 H new ATOM 0 HG23 THR A 56 -2.748 6.392 -9.088 1.00 0.00 H new ATOM 642 N PRO A 57 -5.028 7.008 -4.600 1.00 0.00 N ATOM 643 CA PRO A 57 -5.063 7.429 -3.198 1.00 0.00 C ATOM 644 C PRO A 57 -3.687 7.345 -2.547 1.00 0.00 C ATOM 645 O PRO A 57 -3.282 8.234 -1.793 1.00 0.00 O ATOM 646 CB PRO A 57 -6.019 6.426 -2.540 1.00 0.00 C ATOM 647 CG PRO A 57 -6.261 5.362 -3.565 1.00 0.00 C ATOM 648 CD PRO A 57 -6.067 6.018 -4.896 1.00 0.00 C ATOM 0 HA PRO A 57 -5.379 8.467 -3.092 1.00 0.00 H new ATOM 0 HB2 PRO A 57 -5.582 6.005 -1.635 1.00 0.00 H new ATOM 0 HB3 PRO A 57 -6.952 6.908 -2.249 1.00 0.00 H new ATOM 0 HG2 PRO A 57 -5.568 4.531 -3.435 1.00 0.00 H new ATOM 0 HG3 PRO A 57 -7.268 4.955 -3.474 1.00 0.00 H new ATOM 0 HD2 PRO A 57 -5.748 5.307 -5.658 1.00 0.00 H new ATOM 0 HD3 PRO A 57 -6.983 6.484 -5.258 1.00 0.00 H new ATOM 656 N ALA A 58 -2.970 6.277 -2.885 1.00 0.00 N ATOM 657 CA ALA A 58 -1.621 6.040 -2.386 1.00 0.00 C ATOM 658 C ALA A 58 -0.676 7.191 -2.725 1.00 0.00 C ATOM 659 O ALA A 58 -0.027 7.743 -1.839 1.00 0.00 O ATOM 660 CB ALA A 58 -1.079 4.737 -2.943 1.00 0.00 C ATOM 0 H ALA A 58 -3.310 5.550 -3.515 1.00 0.00 H new ATOM 0 HA ALA A 58 -1.680 5.973 -1.300 1.00 0.00 H new ATOM 0 HB1 ALA A 58 -0.071 4.570 -2.563 1.00 0.00 H new ATOM 0 HB2 ALA A 58 -1.723 3.914 -2.635 1.00 0.00 H new ATOM 0 HB3 ALA A 58 -1.053 4.790 -4.031 1.00 0.00 H new ATOM 666 N ALA A 59 -0.583 7.556 -4.001 1.00 0.00 N ATOM 667 CA ALA A 59 0.273 8.678 -4.381 1.00 0.00 C ATOM 668 C ALA A 59 -0.374 9.989 -3.969 1.00 0.00 C ATOM 669 O ALA A 59 0.216 10.799 -3.253 1.00 0.00 O ATOM 670 CB ALA A 59 0.518 8.689 -5.874 1.00 0.00 C ATOM 0 H ALA A 59 -1.075 7.105 -4.772 1.00 0.00 H new ATOM 0 HA ALA A 59 1.228 8.563 -3.869 1.00 0.00 H new ATOM 0 HB1 ALA A 59 1.158 9.533 -6.132 1.00 0.00 H new ATOM 0 HB2 ALA A 59 1.006 7.760 -6.169 1.00 0.00 H new ATOM 0 HB3 ALA A 59 -0.433 8.781 -6.398 1.00 0.00 H new ATOM 676 N LEU A 60 -1.601 10.147 -4.441 1.00 0.00 N ATOM 677 CA LEU A 60 -2.425 11.335 -4.247 1.00 0.00 C ATOM 678 C LEU A 60 -2.358 11.878 -2.815 1.00 0.00 C ATOM 679 O LEU A 60 -1.716 12.897 -2.556 1.00 0.00 O ATOM 680 CB LEU A 60 -3.859 10.915 -4.590 1.00 0.00 C ATOM 681 CG LEU A 60 -4.866 12.005 -4.962 1.00 0.00 C ATOM 682 CD1 LEU A 60 -5.104 12.971 -3.813 1.00 0.00 C ATOM 683 CD2 LEU A 60 -4.410 12.739 -6.210 1.00 0.00 C ATOM 0 H LEU A 60 -2.069 9.426 -4.990 1.00 0.00 H new ATOM 0 HA LEU A 60 -2.065 12.144 -4.883 1.00 0.00 H new ATOM 0 HB2 LEU A 60 -3.809 10.211 -5.421 1.00 0.00 H new ATOM 0 HB3 LEU A 60 -4.259 10.371 -3.735 1.00 0.00 H new ATOM 0 HG LEU A 60 -5.820 11.521 -5.172 1.00 0.00 H new ATOM 0 HD11 LEU A 60 -5.825 13.729 -4.118 1.00 0.00 H new ATOM 0 HD12 LEU A 60 -5.493 12.425 -2.954 1.00 0.00 H new ATOM 0 HD13 LEU A 60 -4.164 13.452 -3.542 1.00 0.00 H new ATOM 0 HD21 LEU A 60 -5.136 13.512 -6.463 1.00 0.00 H new ATOM 0 HD22 LEU A 60 -3.439 13.199 -6.027 1.00 0.00 H new ATOM 0 HD23 LEU A 60 -4.327 12.034 -7.037 1.00 0.00 H new ATOM 695 N ASP A 61 -3.027 11.199 -1.894 1.00 0.00 N ATOM 696 CA ASP A 61 -3.094 11.657 -0.512 1.00 0.00 C ATOM 697 C ASP A 61 -2.031 10.979 0.340 1.00 0.00 C ATOM 698 O ASP A 61 -1.433 11.592 1.226 1.00 0.00 O ATOM 699 CB ASP A 61 -4.490 11.397 0.066 1.00 0.00 C ATOM 700 CG ASP A 61 -4.691 12.027 1.433 1.00 0.00 C ATOM 701 OD1 ASP A 61 -4.343 11.395 2.450 1.00 0.00 O ATOM 702 OD2 ASP A 61 -5.220 13.161 1.498 1.00 0.00 O ATOM 0 H ASP A 61 -3.530 10.331 -2.077 1.00 0.00 H new ATOM 0 HA ASP A 61 -2.902 12.730 -0.499 1.00 0.00 H new ATOM 0 HB2 ASP A 61 -5.241 11.786 -0.622 1.00 0.00 H new ATOM 0 HB3 ASP A 61 -4.653 10.322 0.140 1.00 0.00 H new ATOM 707 N GLY A 62 -1.784 9.712 0.033 1.00 0.00 N ATOM 708 CA GLY A 62 -0.994 8.861 0.912 1.00 0.00 C ATOM 709 C GLY A 62 0.456 9.282 1.054 1.00 0.00 C ATOM 710 O GLY A 62 1.020 9.217 2.147 1.00 0.00 O ATOM 0 H GLY A 62 -2.118 9.253 -0.814 1.00 0.00 H new ATOM 0 HA2 GLY A 62 -1.455 8.852 1.900 1.00 0.00 H new ATOM 0 HA3 GLY A 62 -1.028 7.839 0.535 1.00 0.00 H new ATOM 714 N THR A 63 1.050 9.729 -0.041 1.00 0.00 N ATOM 715 CA THR A 63 2.457 10.057 -0.083 1.00 0.00 C ATOM 716 C THR A 63 3.308 8.848 0.301 1.00 0.00 C ATOM 717 O THR A 63 4.109 8.883 1.236 1.00 0.00 O ATOM 718 CB THR A 63 2.791 11.258 0.807 1.00 0.00 C ATOM 719 OG1 THR A 63 1.621 12.073 1.002 1.00 0.00 O ATOM 720 CG2 THR A 63 3.858 12.072 0.124 1.00 0.00 C ATOM 0 H THR A 63 0.564 9.873 -0.926 1.00 0.00 H new ATOM 0 HA THR A 63 2.693 10.336 -1.110 1.00 0.00 H new ATOM 0 HB THR A 63 3.140 10.909 1.779 1.00 0.00 H new ATOM 0 HG1 THR A 63 1.846 12.837 1.574 1.00 0.00 H new ATOM 0 HG21 THR A 63 4.110 12.933 0.743 1.00 0.00 H new ATOM 0 HG22 THR A 63 4.746 11.458 -0.023 1.00 0.00 H new ATOM 0 HG23 THR A 63 3.491 12.415 -0.843 1.00 0.00 H new ATOM 728 N VAL A 64 3.091 7.776 -0.437 1.00 0.00 N ATOM 729 CA VAL A 64 3.826 6.530 -0.275 1.00 0.00 C ATOM 730 C VAL A 64 4.366 6.107 -1.630 1.00 0.00 C ATOM 731 O VAL A 64 4.208 4.968 -2.069 1.00 0.00 O ATOM 732 CB VAL A 64 2.931 5.412 0.290 1.00 0.00 C ATOM 733 CG1 VAL A 64 2.565 5.694 1.734 1.00 0.00 C ATOM 734 CG2 VAL A 64 1.679 5.276 -0.553 1.00 0.00 C ATOM 0 H VAL A 64 2.390 7.743 -1.177 1.00 0.00 H new ATOM 0 HA VAL A 64 4.638 6.695 0.433 1.00 0.00 H new ATOM 0 HB VAL A 64 3.485 4.474 0.257 1.00 0.00 H new ATOM 0 HG11 VAL A 64 1.932 4.891 2.112 1.00 0.00 H new ATOM 0 HG12 VAL A 64 3.473 5.754 2.334 1.00 0.00 H new ATOM 0 HG13 VAL A 64 2.026 6.640 1.795 1.00 0.00 H new ATOM 0 HG21 VAL A 64 1.051 4.483 -0.147 1.00 0.00 H new ATOM 0 HG22 VAL A 64 1.128 6.217 -0.541 1.00 0.00 H new ATOM 0 HG23 VAL A 64 1.956 5.030 -1.578 1.00 0.00 H new ATOM 744 N ALA A 65 5.010 7.048 -2.281 1.00 0.00 N ATOM 745 CA ALA A 65 5.365 6.910 -3.677 1.00 0.00 C ATOM 746 C ALA A 65 6.662 6.140 -3.869 1.00 0.00 C ATOM 747 O ALA A 65 7.303 5.720 -2.901 1.00 0.00 O ATOM 748 CB ALA A 65 5.464 8.284 -4.321 1.00 0.00 C ATOM 0 H ALA A 65 5.303 7.930 -1.860 1.00 0.00 H new ATOM 0 HA ALA A 65 4.578 6.334 -4.163 1.00 0.00 H new ATOM 0 HB1 ALA A 65 5.732 8.175 -5.372 1.00 0.00 H new ATOM 0 HB2 ALA A 65 4.503 8.793 -4.242 1.00 0.00 H new ATOM 0 HB3 ALA A 65 6.228 8.871 -3.811 1.00 0.00 H new ATOM 754 N ALA A 66 7.034 5.967 -5.132 1.00 0.00 N ATOM 755 CA ALA A 66 8.181 5.158 -5.518 1.00 0.00 C ATOM 756 C ALA A 66 9.426 5.511 -4.714 1.00 0.00 C ATOM 757 O ALA A 66 9.854 6.667 -4.682 1.00 0.00 O ATOM 758 CB ALA A 66 8.442 5.330 -7.003 1.00 0.00 C ATOM 0 H ALA A 66 6.544 6.388 -5.921 1.00 0.00 H new ATOM 0 HA ALA A 66 7.948 4.115 -5.303 1.00 0.00 H new ATOM 0 HB1 ALA A 66 9.301 4.725 -7.294 1.00 0.00 H new ATOM 0 HB2 ALA A 66 7.565 5.010 -7.566 1.00 0.00 H new ATOM 0 HB3 ALA A 66 8.648 6.379 -7.217 1.00 0.00 H new ATOM 764 N GLY A 67 9.993 4.513 -4.056 1.00 0.00 N ATOM 765 CA GLY A 67 11.187 4.731 -3.271 1.00 0.00 C ATOM 766 C GLY A 67 10.903 4.798 -1.784 1.00 0.00 C ATOM 767 O GLY A 67 11.695 5.354 -1.021 1.00 0.00 O ATOM 0 H GLY A 67 9.646 3.554 -4.052 1.00 0.00 H new ATOM 0 HA2 GLY A 67 11.897 3.927 -3.466 1.00 0.00 H new ATOM 0 HA3 GLY A 67 11.662 5.659 -3.589 1.00 0.00 H new ATOM 771 N ASP A 68 9.767 4.253 -1.371 1.00 0.00 N ATOM 772 CA ASP A 68 9.423 4.197 0.046 1.00 0.00 C ATOM 773 C ASP A 68 9.538 2.769 0.551 1.00 0.00 C ATOM 774 O ASP A 68 9.515 1.821 -0.238 1.00 0.00 O ATOM 775 CB ASP A 68 7.996 4.686 0.275 1.00 0.00 C ATOM 776 CG ASP A 68 7.822 5.393 1.599 1.00 0.00 C ATOM 777 OD1 ASP A 68 8.079 4.779 2.654 1.00 0.00 O ATOM 778 OD2 ASP A 68 7.418 6.574 1.591 1.00 0.00 O ATOM 0 H ASP A 68 9.069 3.844 -1.993 1.00 0.00 H new ATOM 0 HA ASP A 68 10.115 4.842 0.588 1.00 0.00 H new ATOM 0 HB2 ASP A 68 7.715 5.363 -0.532 1.00 0.00 H new ATOM 0 HB3 ASP A 68 7.315 3.836 0.230 1.00 0.00 H new ATOM 783 N GLU A 69 9.624 2.617 1.858 1.00 0.00 N ATOM 784 CA GLU A 69 9.747 1.303 2.464 1.00 0.00 C ATOM 785 C GLU A 69 8.402 0.862 3.033 1.00 0.00 C ATOM 786 O GLU A 69 7.798 1.572 3.838 1.00 0.00 O ATOM 787 CB GLU A 69 10.804 1.309 3.575 1.00 0.00 C ATOM 788 CG GLU A 69 12.226 1.004 3.115 1.00 0.00 C ATOM 789 CD GLU A 69 12.824 2.065 2.212 1.00 0.00 C ATOM 790 OE1 GLU A 69 13.008 3.219 2.670 1.00 0.00 O ATOM 791 OE2 GLU A 69 13.153 1.740 1.050 1.00 0.00 O ATOM 0 H GLU A 69 9.611 3.389 2.524 1.00 0.00 H new ATOM 0 HA GLU A 69 10.061 0.600 1.692 1.00 0.00 H new ATOM 0 HB2 GLU A 69 10.796 2.286 4.058 1.00 0.00 H new ATOM 0 HB3 GLU A 69 10.518 0.578 4.331 1.00 0.00 H new ATOM 0 HG2 GLU A 69 12.863 0.887 3.992 1.00 0.00 H new ATOM 0 HG3 GLU A 69 12.230 0.050 2.589 1.00 0.00 H new ATOM 798 N ILE A 70 7.920 -0.302 2.612 1.00 0.00 N ATOM 799 CA ILE A 70 6.652 -0.827 3.137 1.00 0.00 C ATOM 800 C ILE A 70 6.898 -2.100 3.962 1.00 0.00 C ATOM 801 O ILE A 70 7.762 -2.898 3.616 1.00 0.00 O ATOM 802 CB ILE A 70 5.651 -1.153 2.000 1.00 0.00 C ATOM 803 CG1 ILE A 70 5.674 -0.078 0.904 1.00 0.00 C ATOM 804 CG2 ILE A 70 4.241 -1.310 2.557 1.00 0.00 C ATOM 805 CD1 ILE A 70 5.288 1.304 1.378 1.00 0.00 C ATOM 0 H ILE A 70 8.375 -0.897 1.920 1.00 0.00 H new ATOM 0 HA ILE A 70 6.222 -0.050 3.769 1.00 0.00 H new ATOM 0 HB ILE A 70 5.960 -2.096 1.550 1.00 0.00 H new ATOM 0 HG12 ILE A 70 6.675 -0.035 0.475 1.00 0.00 H new ATOM 0 HG13 ILE A 70 4.997 -0.377 0.104 1.00 0.00 H new ATOM 0 HG21 ILE A 70 3.552 -1.539 1.744 1.00 0.00 H new ATOM 0 HG22 ILE A 70 4.226 -2.121 3.285 1.00 0.00 H new ATOM 0 HG23 ILE A 70 3.936 -0.382 3.041 1.00 0.00 H new ATOM 0 HD11 ILE A 70 5.331 2.001 0.541 1.00 0.00 H new ATOM 0 HD12 ILE A 70 4.275 1.281 1.780 1.00 0.00 H new ATOM 0 HD13 ILE A 70 5.979 1.628 2.156 1.00 0.00 H new ATOM 817 N THR A 71 6.172 -2.287 5.067 1.00 0.00 N ATOM 818 CA THR A 71 6.335 -3.509 5.857 1.00 0.00 C ATOM 819 C THR A 71 4.991 -4.084 6.322 1.00 0.00 C ATOM 820 O THR A 71 4.906 -5.264 6.669 1.00 0.00 O ATOM 821 CB THR A 71 7.278 -3.305 7.079 1.00 0.00 C ATOM 822 OG1 THR A 71 7.624 -4.567 7.666 1.00 0.00 O ATOM 823 CG2 THR A 71 6.656 -2.410 8.150 1.00 0.00 C ATOM 0 H THR A 71 5.483 -1.627 5.428 1.00 0.00 H new ATOM 0 HA THR A 71 6.802 -4.231 5.187 1.00 0.00 H new ATOM 0 HB THR A 71 8.173 -2.811 6.701 1.00 0.00 H new ATOM 0 HG1 THR A 71 6.877 -5.193 7.560 1.00 0.00 H new ATOM 0 HG21 THR A 71 7.353 -2.299 8.981 1.00 0.00 H new ATOM 0 HG22 THR A 71 6.439 -1.430 7.724 1.00 0.00 H new ATOM 0 HG23 THR A 71 5.732 -2.862 8.510 1.00 0.00 H new ATOM 831 N GLY A 72 3.937 -3.275 6.310 1.00 0.00 N ATOM 832 CA GLY A 72 2.657 -3.753 6.790 1.00 0.00 C ATOM 833 C GLY A 72 1.499 -3.455 5.860 1.00 0.00 C ATOM 834 O GLY A 72 1.374 -2.350 5.328 1.00 0.00 O ATOM 0 H GLY A 72 3.946 -2.310 5.981 1.00 0.00 H new ATOM 0 HA2 GLY A 72 2.718 -4.830 6.944 1.00 0.00 H new ATOM 0 HA3 GLY A 72 2.454 -3.303 7.762 1.00 0.00 H new ATOM 838 N VAL A 73 0.648 -4.459 5.690 1.00 0.00 N ATOM 839 CA VAL A 73 -0.561 -4.365 4.924 1.00 0.00 C ATOM 840 C VAL A 73 -1.743 -4.199 5.873 1.00 0.00 C ATOM 841 O VAL A 73 -1.954 -5.029 6.756 1.00 0.00 O ATOM 842 CB VAL A 73 -0.767 -5.641 4.074 1.00 0.00 C ATOM 843 CG1 VAL A 73 -0.261 -6.883 4.797 1.00 0.00 C ATOM 844 CG2 VAL A 73 -2.225 -5.824 3.793 1.00 0.00 C ATOM 0 H VAL A 73 0.796 -5.382 6.098 1.00 0.00 H new ATOM 0 HA VAL A 73 -0.489 -3.506 4.257 1.00 0.00 H new ATOM 0 HB VAL A 73 -0.204 -5.516 3.149 1.00 0.00 H new ATOM 0 HG11 VAL A 73 -0.422 -7.760 4.170 1.00 0.00 H new ATOM 0 HG12 VAL A 73 0.804 -6.775 5.004 1.00 0.00 H new ATOM 0 HG13 VAL A 73 -0.802 -7.004 5.735 1.00 0.00 H new ATOM 0 HG21 VAL A 73 -2.370 -6.723 3.194 1.00 0.00 H new ATOM 0 HG22 VAL A 73 -2.767 -5.923 4.733 1.00 0.00 H new ATOM 0 HG23 VAL A 73 -2.602 -4.959 3.246 1.00 0.00 H new ATOM 854 N ASN A 74 -2.486 -3.115 5.709 1.00 0.00 N ATOM 855 CA ASN A 74 -3.663 -2.841 6.534 1.00 0.00 C ATOM 856 C ASN A 74 -3.280 -2.813 8.015 1.00 0.00 C ATOM 857 O ASN A 74 -4.099 -3.067 8.896 1.00 0.00 O ATOM 858 CB ASN A 74 -4.759 -3.884 6.286 1.00 0.00 C ATOM 859 CG ASN A 74 -6.156 -3.318 6.471 1.00 0.00 C ATOM 860 OD1 ASN A 74 -6.367 -2.364 7.220 1.00 0.00 O ATOM 861 ND2 ASN A 74 -7.123 -3.904 5.782 1.00 0.00 N ATOM 0 H ASN A 74 -2.295 -2.401 5.006 1.00 0.00 H new ATOM 0 HA ASN A 74 -4.054 -1.863 6.255 1.00 0.00 H new ATOM 0 HB2 ASN A 74 -4.661 -4.275 5.273 1.00 0.00 H new ATOM 0 HB3 ASN A 74 -4.618 -4.723 6.967 1.00 0.00 H new ATOM 0 HD21 ASN A 74 -8.082 -3.567 5.862 1.00 0.00 H new ATOM 0 HD22 ASN A 74 -6.908 -4.692 5.171 1.00 0.00 H new ATOM 868 N GLY A 75 -2.014 -2.505 8.275 1.00 0.00 N ATOM 869 CA GLY A 75 -1.526 -2.418 9.634 1.00 0.00 C ATOM 870 C GLY A 75 -0.729 -3.633 10.085 1.00 0.00 C ATOM 871 O GLY A 75 0.065 -3.528 11.017 1.00 0.00 O ATOM 0 H GLY A 75 -1.313 -2.313 7.559 1.00 0.00 H new ATOM 0 HA2 GLY A 75 -0.900 -1.531 9.728 1.00 0.00 H new ATOM 0 HA3 GLY A 75 -2.374 -2.283 10.306 1.00 0.00 H new ATOM 875 N ARG A 76 -0.904 -4.779 9.430 1.00 0.00 N ATOM 876 CA ARG A 76 -0.196 -5.974 9.817 1.00 0.00 C ATOM 877 C ARG A 76 0.894 -6.316 8.806 1.00 0.00 C ATOM 878 O ARG A 76 0.693 -6.180 7.610 1.00 0.00 O ATOM 879 CB ARG A 76 -1.191 -7.112 9.948 1.00 0.00 C ATOM 880 CG ARG A 76 -2.225 -7.174 8.845 1.00 0.00 C ATOM 881 CD ARG A 76 -3.217 -8.298 9.086 1.00 0.00 C ATOM 882 NE ARG A 76 -2.563 -9.608 9.106 1.00 0.00 N ATOM 883 CZ ARG A 76 -3.153 -10.735 9.502 1.00 0.00 C ATOM 884 NH1 ARG A 76 -4.402 -10.717 9.953 1.00 0.00 N ATOM 885 NH2 ARG A 76 -2.483 -11.881 9.471 1.00 0.00 N ATOM 0 H ARG A 76 -1.530 -4.894 8.633 1.00 0.00 H new ATOM 0 HA ARG A 76 0.295 -5.809 10.776 1.00 0.00 H new ATOM 0 HB2 ARG A 76 -0.644 -8.055 9.969 1.00 0.00 H new ATOM 0 HB3 ARG A 76 -1.705 -7.020 10.905 1.00 0.00 H new ATOM 0 HG2 ARG A 76 -2.755 -6.224 8.786 1.00 0.00 H new ATOM 0 HG3 ARG A 76 -1.729 -7.322 7.886 1.00 0.00 H new ATOM 0 HD2 ARG A 76 -3.729 -8.133 10.034 1.00 0.00 H new ATOM 0 HD3 ARG A 76 -3.978 -8.284 8.306 1.00 0.00 H new ATOM 0 HE ARG A 76 -1.593 -9.661 8.797 1.00 0.00 H new ATOM 0 HH11 ARG A 76 -4.915 -9.837 9.998 1.00 0.00 H new ATOM 0 HH12 ARG A 76 -4.848 -11.583 10.255 1.00 0.00 H new ATOM 0 HH21 ARG A 76 -1.517 -11.898 9.144 1.00 0.00 H new ATOM 0 HH22 ARG A 76 -2.934 -12.744 9.774 1.00 0.00 H new ATOM 899 N SER A 77 2.044 -6.762 9.302 1.00 0.00 N ATOM 900 CA SER A 77 3.215 -7.028 8.465 1.00 0.00 C ATOM 901 C SER A 77 2.878 -7.958 7.297 1.00 0.00 C ATOM 902 O SER A 77 2.182 -8.962 7.464 1.00 0.00 O ATOM 903 CB SER A 77 4.334 -7.638 9.312 1.00 0.00 C ATOM 904 OG SER A 77 5.540 -7.758 8.569 1.00 0.00 O ATOM 0 H SER A 77 2.193 -6.950 10.293 1.00 0.00 H new ATOM 0 HA SER A 77 3.548 -6.078 8.048 1.00 0.00 H new ATOM 0 HB2 SER A 77 4.507 -7.017 10.191 1.00 0.00 H new ATOM 0 HB3 SER A 77 4.027 -8.620 9.671 1.00 0.00 H new ATOM 0 HG SER A 77 5.566 -7.068 7.873 1.00 0.00 H new ATOM 910 N ILE A 78 3.400 -7.625 6.115 1.00 0.00 N ATOM 911 CA ILE A 78 3.106 -8.390 4.903 1.00 0.00 C ATOM 912 C ILE A 78 3.984 -9.626 4.859 1.00 0.00 C ATOM 913 O ILE A 78 3.709 -10.587 4.140 1.00 0.00 O ATOM 914 CB ILE A 78 3.344 -7.592 3.592 1.00 0.00 C ATOM 915 CG1 ILE A 78 4.820 -7.612 3.166 1.00 0.00 C ATOM 916 CG2 ILE A 78 2.861 -6.155 3.718 1.00 0.00 C ATOM 917 CD1 ILE A 78 5.735 -6.758 4.021 1.00 0.00 C ATOM 0 H ILE A 78 4.027 -6.833 5.972 1.00 0.00 H new ATOM 0 HA ILE A 78 2.047 -8.642 4.954 1.00 0.00 H new ATOM 0 HB ILE A 78 2.760 -8.090 2.818 1.00 0.00 H new ATOM 0 HG12 ILE A 78 5.178 -8.641 3.190 1.00 0.00 H new ATOM 0 HG13 ILE A 78 4.891 -7.274 2.132 1.00 0.00 H new ATOM 0 HG21 ILE A 78 3.043 -5.626 2.782 1.00 0.00 H new ATOM 0 HG22 ILE A 78 1.793 -6.148 3.937 1.00 0.00 H new ATOM 0 HG23 ILE A 78 3.400 -5.659 4.526 1.00 0.00 H new ATOM 0 HD11 ILE A 78 6.756 -6.833 3.648 1.00 0.00 H new ATOM 0 HD12 ILE A 78 5.408 -5.719 3.978 1.00 0.00 H new ATOM 0 HD13 ILE A 78 5.699 -7.107 5.053 1.00 0.00 H new ATOM 929 N LYS A 79 5.041 -9.576 5.659 1.00 0.00 N ATOM 930 CA LYS A 79 6.069 -10.602 5.682 1.00 0.00 C ATOM 931 C LYS A 79 5.490 -11.929 6.166 1.00 0.00 C ATOM 932 O LYS A 79 6.101 -12.987 6.008 1.00 0.00 O ATOM 933 CB LYS A 79 7.208 -10.123 6.586 1.00 0.00 C ATOM 934 CG LYS A 79 8.402 -11.063 6.664 1.00 0.00 C ATOM 935 CD LYS A 79 9.495 -10.491 7.554 1.00 0.00 C ATOM 936 CE LYS A 79 10.762 -11.334 7.510 1.00 0.00 C ATOM 937 NZ LYS A 79 11.432 -11.268 6.183 1.00 0.00 N ATOM 0 H LYS A 79 5.208 -8.814 6.316 1.00 0.00 H new ATOM 0 HA LYS A 79 6.456 -10.771 4.677 1.00 0.00 H new ATOM 0 HB2 LYS A 79 7.551 -9.152 6.230 1.00 0.00 H new ATOM 0 HB3 LYS A 79 6.816 -9.973 7.592 1.00 0.00 H new ATOM 0 HG2 LYS A 79 8.082 -12.030 7.052 1.00 0.00 H new ATOM 0 HG3 LYS A 79 8.798 -11.236 5.663 1.00 0.00 H new ATOM 0 HD2 LYS A 79 9.725 -9.473 7.238 1.00 0.00 H new ATOM 0 HD3 LYS A 79 9.134 -10.432 8.581 1.00 0.00 H new ATOM 0 HE2 LYS A 79 11.452 -10.992 8.281 1.00 0.00 H new ATOM 0 HE3 LYS A 79 10.516 -12.371 7.740 1.00 0.00 H new ATOM 0 HZ1 LYS A 79 12.383 -11.682 6.253 1.00 0.00 H new ATOM 0 HZ2 LYS A 79 10.873 -11.800 5.485 1.00 0.00 H new ATOM 0 HZ3 LYS A 79 11.508 -10.276 5.882 1.00 0.00 H new ATOM 951 N GLY A 80 4.291 -11.857 6.731 1.00 0.00 N ATOM 952 CA GLY A 80 3.606 -13.044 7.182 1.00 0.00 C ATOM 953 C GLY A 80 3.094 -13.899 6.037 1.00 0.00 C ATOM 954 O GLY A 80 2.817 -15.081 6.228 1.00 0.00 O ATOM 0 H GLY A 80 3.781 -10.987 6.884 1.00 0.00 H new ATOM 0 HA2 GLY A 80 4.283 -13.637 7.797 1.00 0.00 H new ATOM 0 HA3 GLY A 80 2.768 -12.755 7.817 1.00 0.00 H new ATOM 958 N LYS A 81 2.958 -13.320 4.842 1.00 0.00 N ATOM 959 CA LYS A 81 2.484 -14.089 3.696 1.00 0.00 C ATOM 960 C LYS A 81 3.293 -13.778 2.433 1.00 0.00 C ATOM 961 O LYS A 81 4.521 -13.780 2.475 1.00 0.00 O ATOM 962 CB LYS A 81 0.972 -13.899 3.466 1.00 0.00 C ATOM 963 CG LYS A 81 0.518 -12.459 3.266 1.00 0.00 C ATOM 964 CD LYS A 81 0.591 -11.639 4.545 1.00 0.00 C ATOM 965 CE LYS A 81 -0.278 -12.221 5.656 1.00 0.00 C ATOM 966 NZ LYS A 81 -1.656 -12.544 5.199 1.00 0.00 N ATOM 0 H LYS A 81 3.165 -12.341 4.647 1.00 0.00 H new ATOM 0 HA LYS A 81 2.642 -15.142 3.929 1.00 0.00 H new ATOM 0 HB2 LYS A 81 0.679 -14.479 2.591 1.00 0.00 H new ATOM 0 HB3 LYS A 81 0.437 -14.316 4.319 1.00 0.00 H new ATOM 0 HG2 LYS A 81 1.138 -11.989 2.502 1.00 0.00 H new ATOM 0 HG3 LYS A 81 -0.506 -12.453 2.893 1.00 0.00 H new ATOM 0 HD2 LYS A 81 1.626 -11.590 4.884 1.00 0.00 H new ATOM 0 HD3 LYS A 81 0.275 -10.617 4.337 1.00 0.00 H new ATOM 0 HE2 LYS A 81 0.193 -13.124 6.044 1.00 0.00 H new ATOM 0 HE3 LYS A 81 -0.331 -11.510 6.480 1.00 0.00 H new ATOM 0 HZ1 LYS A 81 -2.282 -12.641 6.024 1.00 0.00 H new ATOM 0 HZ2 LYS A 81 -2.007 -11.780 4.586 1.00 0.00 H new ATOM 0 HZ3 LYS A 81 -1.645 -13.437 4.666 1.00 0.00 H new ATOM 980 N THR A 82 2.621 -13.494 1.321 1.00 0.00 N ATOM 981 CA THR A 82 3.303 -13.435 0.035 1.00 0.00 C ATOM 982 C THR A 82 2.804 -12.266 -0.812 1.00 0.00 C ATOM 983 O THR A 82 1.685 -11.800 -0.615 1.00 0.00 O ATOM 984 CB THR A 82 3.104 -14.750 -0.752 1.00 0.00 C ATOM 985 OG1 THR A 82 3.174 -15.871 0.139 1.00 0.00 O ATOM 986 CG2 THR A 82 4.160 -14.910 -1.837 1.00 0.00 C ATOM 0 H THR A 82 1.620 -13.304 1.285 1.00 0.00 H new ATOM 0 HA THR A 82 4.363 -13.290 0.243 1.00 0.00 H new ATOM 0 HB THR A 82 2.122 -14.709 -1.223 1.00 0.00 H new ATOM 0 HG1 THR A 82 2.267 -16.174 0.355 1.00 0.00 H new ATOM 0 HG21 THR A 82 3.993 -15.845 -2.373 1.00 0.00 H new ATOM 0 HG22 THR A 82 4.094 -14.075 -2.535 1.00 0.00 H new ATOM 0 HG23 THR A 82 5.150 -14.925 -1.382 1.00 0.00 H new ATOM 994 N LYS A 83 3.637 -11.811 -1.741 1.00 0.00 N ATOM 995 CA LYS A 83 3.332 -10.662 -2.605 1.00 0.00 C ATOM 996 C LYS A 83 1.938 -10.769 -3.213 1.00 0.00 C ATOM 997 O LYS A 83 1.151 -9.824 -3.183 1.00 0.00 O ATOM 998 CB LYS A 83 4.363 -10.573 -3.731 1.00 0.00 C ATOM 999 CG LYS A 83 5.657 -11.290 -3.410 1.00 0.00 C ATOM 1000 CD LYS A 83 6.823 -10.748 -4.211 1.00 0.00 C ATOM 1001 CE LYS A 83 7.179 -9.333 -3.782 1.00 0.00 C ATOM 1002 NZ LYS A 83 8.470 -8.896 -4.360 1.00 0.00 N ATOM 0 H LYS A 83 4.550 -12.227 -1.922 1.00 0.00 H new ATOM 0 HA LYS A 83 3.369 -9.765 -1.987 1.00 0.00 H new ATOM 0 HB2 LYS A 83 3.936 -10.996 -4.640 1.00 0.00 H new ATOM 0 HB3 LYS A 83 4.577 -9.524 -3.937 1.00 0.00 H new ATOM 0 HG2 LYS A 83 5.872 -11.191 -2.346 1.00 0.00 H new ATOM 0 HG3 LYS A 83 5.541 -12.354 -3.614 1.00 0.00 H new ATOM 0 HD2 LYS A 83 7.689 -11.398 -4.082 1.00 0.00 H new ATOM 0 HD3 LYS A 83 6.573 -10.756 -5.272 1.00 0.00 H new ATOM 0 HE2 LYS A 83 6.390 -8.649 -4.094 1.00 0.00 H new ATOM 0 HE3 LYS A 83 7.232 -9.285 -2.694 1.00 0.00 H new ATOM 0 HZ1 LYS A 83 8.681 -7.927 -4.046 1.00 0.00 H new ATOM 0 HZ2 LYS A 83 9.227 -9.535 -4.042 1.00 0.00 H new ATOM 0 HZ3 LYS A 83 8.411 -8.919 -5.398 1.00 0.00 H new ATOM 1016 N VAL A 84 1.651 -11.920 -3.774 1.00 0.00 N ATOM 1017 CA VAL A 84 0.340 -12.200 -4.326 1.00 0.00 C ATOM 1018 C VAL A 84 -0.730 -11.975 -3.288 1.00 0.00 C ATOM 1019 O VAL A 84 -1.650 -11.171 -3.450 1.00 0.00 O ATOM 1020 CB VAL A 84 0.219 -13.668 -4.737 1.00 0.00 C ATOM 1021 CG1 VAL A 84 -0.350 -13.780 -6.119 1.00 0.00 C ATOM 1022 CG2 VAL A 84 1.537 -14.402 -4.602 1.00 0.00 C ATOM 0 H VAL A 84 2.315 -12.689 -3.862 1.00 0.00 H new ATOM 0 HA VAL A 84 0.216 -11.538 -5.183 1.00 0.00 H new ATOM 0 HB VAL A 84 -0.474 -14.155 -4.051 1.00 0.00 H new ATOM 0 HG11 VAL A 84 -0.429 -14.831 -6.396 1.00 0.00 H new ATOM 0 HG12 VAL A 84 -1.339 -13.323 -6.143 1.00 0.00 H new ATOM 0 HG13 VAL A 84 0.304 -13.268 -6.824 1.00 0.00 H new ATOM 0 HG21 VAL A 84 1.407 -15.441 -4.904 1.00 0.00 H new ATOM 0 HG22 VAL A 84 2.284 -13.929 -5.240 1.00 0.00 H new ATOM 0 HG23 VAL A 84 1.870 -14.364 -3.565 1.00 0.00 H new ATOM 1032 N GLU A 85 -0.573 -12.721 -2.223 1.00 0.00 N ATOM 1033 CA GLU A 85 -1.567 -12.819 -1.185 1.00 0.00 C ATOM 1034 C GLU A 85 -1.837 -11.477 -0.500 1.00 0.00 C ATOM 1035 O GLU A 85 -2.948 -11.224 -0.039 1.00 0.00 O ATOM 1036 CB GLU A 85 -1.129 -13.861 -0.161 1.00 0.00 C ATOM 1037 CG GLU A 85 -0.933 -15.241 -0.766 1.00 0.00 C ATOM 1038 CD GLU A 85 -0.544 -16.287 0.255 1.00 0.00 C ATOM 1039 OE1 GLU A 85 -1.438 -16.807 0.947 1.00 0.00 O ATOM 1040 OE2 GLU A 85 0.659 -16.604 0.362 1.00 0.00 O ATOM 0 H GLU A 85 0.260 -13.284 -2.051 1.00 0.00 H new ATOM 0 HA GLU A 85 -2.504 -13.125 -1.651 1.00 0.00 H new ATOM 0 HB2 GLU A 85 -0.197 -13.538 0.303 1.00 0.00 H new ATOM 0 HB3 GLU A 85 -1.875 -13.920 0.631 1.00 0.00 H new ATOM 0 HG2 GLU A 85 -1.855 -15.549 -1.260 1.00 0.00 H new ATOM 0 HG3 GLU A 85 -0.162 -15.188 -1.535 1.00 0.00 H new ATOM 1047 N VAL A 86 -0.821 -10.625 -0.428 1.00 0.00 N ATOM 1048 CA VAL A 86 -0.964 -9.321 0.222 1.00 0.00 C ATOM 1049 C VAL A 86 -1.832 -8.368 -0.606 1.00 0.00 C ATOM 1050 O VAL A 86 -2.669 -7.651 -0.059 1.00 0.00 O ATOM 1051 CB VAL A 86 0.402 -8.666 0.522 1.00 0.00 C ATOM 1052 CG1 VAL A 86 1.234 -9.557 1.424 1.00 0.00 C ATOM 1053 CG2 VAL A 86 1.181 -8.352 -0.733 1.00 0.00 C ATOM 0 H VAL A 86 0.107 -10.809 -0.808 1.00 0.00 H new ATOM 0 HA VAL A 86 -1.464 -9.508 1.172 1.00 0.00 H new ATOM 0 HB VAL A 86 0.191 -7.723 1.027 1.00 0.00 H new ATOM 0 HG11 VAL A 86 2.193 -9.079 1.624 1.00 0.00 H new ATOM 0 HG12 VAL A 86 0.706 -9.718 2.364 1.00 0.00 H new ATOM 0 HG13 VAL A 86 1.402 -10.516 0.933 1.00 0.00 H new ATOM 0 HG21 VAL A 86 2.133 -7.893 -0.465 1.00 0.00 H new ATOM 0 HG22 VAL A 86 1.365 -9.273 -1.287 1.00 0.00 H new ATOM 0 HG23 VAL A 86 0.608 -7.663 -1.354 1.00 0.00 H new ATOM 1063 N ALA A 87 -1.622 -8.363 -1.918 1.00 0.00 N ATOM 1064 CA ALA A 87 -2.515 -7.657 -2.844 1.00 0.00 C ATOM 1065 C ALA A 87 -3.948 -8.123 -2.627 1.00 0.00 C ATOM 1066 O ALA A 87 -4.882 -7.322 -2.619 1.00 0.00 O ATOM 1067 CB ALA A 87 -2.097 -7.911 -4.286 1.00 0.00 C ATOM 0 H ALA A 87 -0.841 -8.839 -2.370 1.00 0.00 H new ATOM 0 HA ALA A 87 -2.450 -6.587 -2.649 1.00 0.00 H new ATOM 0 HB1 ALA A 87 -2.770 -7.380 -4.959 1.00 0.00 H new ATOM 0 HB2 ALA A 87 -1.078 -7.556 -4.437 1.00 0.00 H new ATOM 0 HB3 ALA A 87 -2.143 -8.980 -4.495 1.00 0.00 H new ATOM 1073 N LYS A 88 -4.105 -9.430 -2.430 1.00 0.00 N ATOM 1074 CA LYS A 88 -5.403 -10.005 -2.115 1.00 0.00 C ATOM 1075 C LYS A 88 -5.957 -9.405 -0.836 1.00 0.00 C ATOM 1076 O LYS A 88 -7.104 -8.997 -0.794 1.00 0.00 O ATOM 1077 CB LYS A 88 -5.310 -11.509 -1.947 1.00 0.00 C ATOM 1078 CG LYS A 88 -6.624 -12.134 -1.542 1.00 0.00 C ATOM 1079 CD LYS A 88 -6.564 -13.636 -1.635 1.00 0.00 C ATOM 1080 CE LYS A 88 -5.513 -14.200 -0.703 1.00 0.00 C ATOM 1081 NZ LYS A 88 -5.875 -14.013 0.726 1.00 0.00 N ATOM 0 H LYS A 88 -3.346 -10.109 -2.484 1.00 0.00 H new ATOM 0 HA LYS A 88 -6.068 -9.778 -2.948 1.00 0.00 H new ATOM 0 HB2 LYS A 88 -4.974 -11.955 -2.883 1.00 0.00 H new ATOM 0 HB3 LYS A 88 -4.556 -11.740 -1.195 1.00 0.00 H new ATOM 0 HG2 LYS A 88 -6.871 -11.840 -0.522 1.00 0.00 H new ATOM 0 HG3 LYS A 88 -7.421 -11.759 -2.184 1.00 0.00 H new ATOM 0 HD2 LYS A 88 -7.538 -14.058 -1.387 1.00 0.00 H new ATOM 0 HD3 LYS A 88 -6.341 -13.931 -2.660 1.00 0.00 H new ATOM 0 HE2 LYS A 88 -5.381 -15.263 -0.907 1.00 0.00 H new ATOM 0 HE3 LYS A 88 -4.557 -13.716 -0.901 1.00 0.00 H new ATOM 0 HZ1 LYS A 88 -5.221 -14.557 1.324 1.00 0.00 H new ATOM 0 HZ2 LYS A 88 -5.811 -13.004 0.971 1.00 0.00 H new ATOM 0 HZ3 LYS A 88 -6.847 -14.347 0.884 1.00 0.00 H new ATOM 1095 N MET A 89 -5.127 -9.363 0.202 1.00 0.00 N ATOM 1096 CA MET A 89 -5.517 -8.797 1.494 1.00 0.00 C ATOM 1097 C MET A 89 -6.092 -7.402 1.322 1.00 0.00 C ATOM 1098 O MET A 89 -7.088 -7.041 1.952 1.00 0.00 O ATOM 1099 CB MET A 89 -4.315 -8.735 2.427 1.00 0.00 C ATOM 1100 CG MET A 89 -3.768 -10.093 2.814 1.00 0.00 C ATOM 1101 SD MET A 89 -2.375 -9.968 3.947 1.00 0.00 S ATOM 1102 CE MET A 89 -3.151 -9.176 5.356 1.00 0.00 C ATOM 0 H MET A 89 -4.171 -9.717 0.175 1.00 0.00 H new ATOM 0 HA MET A 89 -6.281 -9.443 1.927 1.00 0.00 H new ATOM 0 HB2 MET A 89 -3.524 -8.159 1.947 1.00 0.00 H new ATOM 0 HB3 MET A 89 -4.597 -8.197 3.332 1.00 0.00 H new ATOM 0 HG2 MET A 89 -4.559 -10.683 3.277 1.00 0.00 H new ATOM 0 HG3 MET A 89 -3.457 -10.627 1.916 1.00 0.00 H new ATOM 0 HE1 MET A 89 -2.520 -9.299 6.236 1.00 0.00 H new ATOM 0 HE2 MET A 89 -3.282 -8.114 5.150 1.00 0.00 H new ATOM 0 HE3 MET A 89 -4.123 -9.633 5.540 1.00 0.00 H new ATOM 1112 N ILE A 90 -5.462 -6.634 0.454 1.00 0.00 N ATOM 1113 CA ILE A 90 -5.887 -5.277 0.189 1.00 0.00 C ATOM 1114 C ILE A 90 -7.190 -5.251 -0.614 1.00 0.00 C ATOM 1115 O ILE A 90 -8.081 -4.468 -0.313 1.00 0.00 O ATOM 1116 CB ILE A 90 -4.763 -4.487 -0.519 1.00 0.00 C ATOM 1117 CG1 ILE A 90 -3.603 -4.290 0.463 1.00 0.00 C ATOM 1118 CG2 ILE A 90 -5.269 -3.147 -1.043 1.00 0.00 C ATOM 1119 CD1 ILE A 90 -2.354 -3.716 -0.162 1.00 0.00 C ATOM 0 H ILE A 90 -4.647 -6.932 -0.083 1.00 0.00 H new ATOM 0 HA ILE A 90 -6.089 -4.788 1.142 1.00 0.00 H new ATOM 0 HB ILE A 90 -4.417 -5.054 -1.383 1.00 0.00 H new ATOM 0 HG12 ILE A 90 -3.930 -3.630 1.267 1.00 0.00 H new ATOM 0 HG13 ILE A 90 -3.360 -5.250 0.918 1.00 0.00 H new ATOM 0 HG21 ILE A 90 -4.453 -2.617 -1.535 1.00 0.00 H new ATOM 0 HG22 ILE A 90 -6.075 -3.316 -1.757 1.00 0.00 H new ATOM 0 HG23 ILE A 90 -5.641 -2.548 -0.212 1.00 0.00 H new ATOM 0 HD11 ILE A 90 -1.582 -3.608 0.600 1.00 0.00 H new ATOM 0 HD12 ILE A 90 -1.999 -4.385 -0.946 1.00 0.00 H new ATOM 0 HD13 ILE A 90 -2.578 -2.740 -0.592 1.00 0.00 H new ATOM 1131 N GLN A 91 -7.322 -6.126 -1.605 1.00 0.00 N ATOM 1132 CA GLN A 91 -8.539 -6.188 -2.406 1.00 0.00 C ATOM 1133 C GLN A 91 -9.677 -6.872 -1.655 1.00 0.00 C ATOM 1134 O GLN A 91 -10.850 -6.638 -1.951 1.00 0.00 O ATOM 1135 CB GLN A 91 -8.283 -6.935 -3.704 1.00 0.00 C ATOM 1136 CG GLN A 91 -7.212 -6.313 -4.571 1.00 0.00 C ATOM 1137 CD GLN A 91 -7.532 -4.887 -4.963 1.00 0.00 C ATOM 1138 OE1 GLN A 91 -7.200 -3.947 -4.246 1.00 0.00 O ATOM 1139 NE2 GLN A 91 -8.168 -4.718 -6.111 1.00 0.00 N ATOM 0 H GLN A 91 -6.604 -6.800 -1.872 1.00 0.00 H new ATOM 0 HA GLN A 91 -8.833 -5.161 -2.620 1.00 0.00 H new ATOM 0 HB2 GLN A 91 -7.997 -7.961 -3.471 1.00 0.00 H new ATOM 0 HB3 GLN A 91 -9.212 -6.985 -4.272 1.00 0.00 H new ATOM 0 HG2 GLN A 91 -6.261 -6.334 -4.038 1.00 0.00 H new ATOM 0 HG3 GLN A 91 -7.086 -6.913 -5.472 1.00 0.00 H new ATOM 0 HE21 GLN A 91 -8.425 -5.528 -6.676 1.00 0.00 H new ATOM 0 HE22 GLN A 91 -8.401 -3.778 -6.431 1.00 0.00 H new ATOM 1148 N GLU A 92 -9.323 -7.724 -0.701 1.00 0.00 N ATOM 1149 CA GLU A 92 -10.297 -8.458 0.093 1.00 0.00 C ATOM 1150 C GLU A 92 -11.136 -7.485 0.894 1.00 0.00 C ATOM 1151 O GLU A 92 -12.365 -7.525 0.857 1.00 0.00 O ATOM 1152 CB GLU A 92 -9.577 -9.442 1.020 1.00 0.00 C ATOM 1153 CG GLU A 92 -10.484 -10.138 2.010 1.00 0.00 C ATOM 1154 CD GLU A 92 -11.462 -11.081 1.345 1.00 0.00 C ATOM 1155 OE1 GLU A 92 -11.089 -12.247 1.091 1.00 0.00 O ATOM 1156 OE2 GLU A 92 -12.603 -10.665 1.071 1.00 0.00 O ATOM 0 H GLU A 92 -8.353 -7.925 -0.457 1.00 0.00 H new ATOM 0 HA GLU A 92 -10.954 -9.024 -0.568 1.00 0.00 H new ATOM 0 HB2 GLU A 92 -9.075 -10.195 0.413 1.00 0.00 H new ATOM 0 HB3 GLU A 92 -8.802 -8.906 1.568 1.00 0.00 H new ATOM 0 HG2 GLU A 92 -9.877 -10.695 2.723 1.00 0.00 H new ATOM 0 HG3 GLU A 92 -11.037 -9.390 2.578 1.00 0.00 H new ATOM 1163 N VAL A 93 -10.460 -6.606 1.610 1.00 0.00 N ATOM 1164 CA VAL A 93 -11.135 -5.516 2.281 1.00 0.00 C ATOM 1165 C VAL A 93 -11.598 -4.524 1.225 1.00 0.00 C ATOM 1166 O VAL A 93 -10.995 -4.427 0.156 1.00 0.00 O ATOM 1167 CB VAL A 93 -10.221 -4.813 3.317 1.00 0.00 C ATOM 1168 CG1 VAL A 93 -9.478 -5.846 4.149 1.00 0.00 C ATOM 1169 CG2 VAL A 93 -9.242 -3.849 2.650 1.00 0.00 C ATOM 0 H VAL A 93 -9.449 -6.627 1.740 1.00 0.00 H new ATOM 0 HA VAL A 93 -11.985 -5.915 2.835 1.00 0.00 H new ATOM 0 HB VAL A 93 -10.858 -4.221 3.975 1.00 0.00 H new ATOM 0 HG11 VAL A 93 -8.840 -5.339 4.873 1.00 0.00 H new ATOM 0 HG12 VAL A 93 -10.196 -6.474 4.676 1.00 0.00 H new ATOM 0 HG13 VAL A 93 -8.864 -6.466 3.496 1.00 0.00 H new ATOM 0 HG21 VAL A 93 -8.620 -3.377 3.411 1.00 0.00 H new ATOM 0 HG22 VAL A 93 -8.609 -4.398 1.953 1.00 0.00 H new ATOM 0 HG23 VAL A 93 -9.797 -3.083 2.109 1.00 0.00 H new ATOM 1179 N LYS A 94 -12.668 -3.812 1.488 1.00 0.00 N ATOM 1180 CA LYS A 94 -13.179 -2.866 0.520 1.00 0.00 C ATOM 1181 C LYS A 94 -13.461 -1.535 1.189 1.00 0.00 C ATOM 1182 O LYS A 94 -13.854 -1.482 2.354 1.00 0.00 O ATOM 1183 CB LYS A 94 -14.441 -3.413 -0.151 1.00 0.00 C ATOM 1184 CG LYS A 94 -14.936 -2.548 -1.300 1.00 0.00 C ATOM 1185 CD LYS A 94 -16.188 -3.120 -1.941 1.00 0.00 C ATOM 1186 CE LYS A 94 -16.712 -2.207 -3.036 1.00 0.00 C ATOM 1187 NZ LYS A 94 -17.069 -0.861 -2.512 1.00 0.00 N ATOM 0 H LYS A 94 -13.200 -3.867 2.357 1.00 0.00 H new ATOM 0 HA LYS A 94 -12.424 -2.713 -0.251 1.00 0.00 H new ATOM 0 HB2 LYS A 94 -14.240 -4.418 -0.523 1.00 0.00 H new ATOM 0 HB3 LYS A 94 -15.231 -3.501 0.595 1.00 0.00 H new ATOM 0 HG2 LYS A 94 -15.143 -1.542 -0.934 1.00 0.00 H new ATOM 0 HG3 LYS A 94 -14.152 -2.459 -2.052 1.00 0.00 H new ATOM 0 HD2 LYS A 94 -15.969 -4.103 -2.358 1.00 0.00 H new ATOM 0 HD3 LYS A 94 -16.957 -3.259 -1.181 1.00 0.00 H new ATOM 0 HE2 LYS A 94 -15.957 -2.105 -3.816 1.00 0.00 H new ATOM 0 HE3 LYS A 94 -17.588 -2.661 -3.499 1.00 0.00 H new ATOM 0 HZ1 LYS A 94 -17.691 -0.378 -3.191 1.00 0.00 H new ATOM 0 HZ2 LYS A 94 -17.562 -0.962 -1.602 1.00 0.00 H new ATOM 0 HZ3 LYS A 94 -16.204 -0.301 -2.376 1.00 0.00 H new ATOM 1201 N GLY A 95 -13.223 -0.457 0.465 1.00 0.00 N ATOM 1202 CA GLY A 95 -13.531 0.851 0.986 1.00 0.00 C ATOM 1203 C GLY A 95 -12.301 1.609 1.415 1.00 0.00 C ATOM 1204 O GLY A 95 -12.125 2.762 1.039 1.00 0.00 O ATOM 0 H GLY A 95 -12.822 -0.465 -0.473 1.00 0.00 H new ATOM 0 HA2 GLY A 95 -14.060 1.425 0.226 1.00 0.00 H new ATOM 0 HA3 GLY A 95 -14.206 0.750 1.836 1.00 0.00 H new ATOM 1208 N GLU A 96 -11.419 0.961 2.166 1.00 0.00 N ATOM 1209 CA GLU A 96 -10.288 1.657 2.726 1.00 0.00 C ATOM 1210 C GLU A 96 -9.030 0.822 2.630 1.00 0.00 C ATOM 1211 O GLU A 96 -9.053 -0.330 2.199 1.00 0.00 O ATOM 1212 CB GLU A 96 -10.535 2.029 4.182 1.00 0.00 C ATOM 1213 CG GLU A 96 -10.580 0.828 5.095 1.00 0.00 C ATOM 1214 CD GLU A 96 -10.638 1.208 6.559 1.00 0.00 C ATOM 1215 OE1 GLU A 96 -11.745 1.478 7.066 1.00 0.00 O ATOM 1216 OE2 GLU A 96 -9.570 1.252 7.210 1.00 0.00 O ATOM 0 H GLU A 96 -11.471 -0.032 2.394 1.00 0.00 H new ATOM 0 HA GLU A 96 -10.155 2.569 2.144 1.00 0.00 H new ATOM 0 HB2 GLU A 96 -9.749 2.705 4.518 1.00 0.00 H new ATOM 0 HB3 GLU A 96 -11.477 2.573 4.258 1.00 0.00 H new ATOM 0 HG2 GLU A 96 -11.451 0.221 4.847 1.00 0.00 H new ATOM 0 HG3 GLU A 96 -9.700 0.210 4.919 1.00 0.00 H new ATOM 1223 N VAL A 97 -7.945 1.431 3.058 1.00 0.00 N ATOM 1224 CA VAL A 97 -6.622 0.818 3.050 1.00 0.00 C ATOM 1225 C VAL A 97 -5.806 1.382 4.204 1.00 0.00 C ATOM 1226 O VAL A 97 -6.117 2.457 4.725 1.00 0.00 O ATOM 1227 CB VAL A 97 -5.831 1.091 1.742 1.00 0.00 C ATOM 1228 CG1 VAL A 97 -6.660 0.788 0.510 1.00 0.00 C ATOM 1229 CG2 VAL A 97 -5.330 2.527 1.699 1.00 0.00 C ATOM 0 H VAL A 97 -7.951 2.381 3.428 1.00 0.00 H new ATOM 0 HA VAL A 97 -6.776 -0.258 3.137 1.00 0.00 H new ATOM 0 HB VAL A 97 -4.972 0.420 1.741 1.00 0.00 H new ATOM 0 HG11 VAL A 97 -6.071 0.992 -0.384 1.00 0.00 H new ATOM 0 HG12 VAL A 97 -6.955 -0.261 0.519 1.00 0.00 H new ATOM 0 HG13 VAL A 97 -7.551 1.415 0.508 1.00 0.00 H new ATOM 0 HG21 VAL A 97 -4.779 2.693 0.773 1.00 0.00 H new ATOM 0 HG22 VAL A 97 -6.178 3.210 1.744 1.00 0.00 H new ATOM 0 HG23 VAL A 97 -4.673 2.709 2.549 1.00 0.00 H new ATOM 1239 N THR A 98 -4.786 0.662 4.624 1.00 0.00 N ATOM 1240 CA THR A 98 -3.837 1.195 5.579 1.00 0.00 C ATOM 1241 C THR A 98 -2.424 0.722 5.244 1.00 0.00 C ATOM 1242 O THR A 98 -2.182 -0.475 5.102 1.00 0.00 O ATOM 1243 CB THR A 98 -4.208 0.800 7.023 1.00 0.00 C ATOM 1244 OG1 THR A 98 -5.582 1.126 7.276 1.00 0.00 O ATOM 1245 CG2 THR A 98 -3.324 1.528 8.017 1.00 0.00 C ATOM 0 H THR A 98 -4.593 -0.292 4.320 1.00 0.00 H new ATOM 0 HA THR A 98 -3.871 2.282 5.512 1.00 0.00 H new ATOM 0 HB THR A 98 -4.058 -0.273 7.139 1.00 0.00 H new ATOM 0 HG1 THR A 98 -5.815 0.872 8.194 1.00 0.00 H new ATOM 0 HG21 THR A 98 -3.600 1.237 9.031 1.00 0.00 H new ATOM 0 HG22 THR A 98 -2.281 1.267 7.836 1.00 0.00 H new ATOM 0 HG23 THR A 98 -3.454 2.604 7.900 1.00 0.00 H new ATOM 1253 N ILE A 99 -1.505 1.661 5.086 1.00 0.00 N ATOM 1254 CA ILE A 99 -0.107 1.326 4.851 1.00 0.00 C ATOM 1255 C ILE A 99 0.673 1.526 6.129 1.00 0.00 C ATOM 1256 O ILE A 99 0.431 2.486 6.853 1.00 0.00 O ATOM 1257 CB ILE A 99 0.569 2.159 3.725 1.00 0.00 C ATOM 1258 CG1 ILE A 99 -0.034 3.567 3.581 1.00 0.00 C ATOM 1259 CG2 ILE A 99 0.511 1.422 2.396 1.00 0.00 C ATOM 1260 CD1 ILE A 99 -1.373 3.593 2.872 1.00 0.00 C ATOM 0 H ILE A 99 -1.701 2.662 5.116 1.00 0.00 H new ATOM 0 HA ILE A 99 -0.097 0.287 4.523 1.00 0.00 H new ATOM 0 HB ILE A 99 1.611 2.286 4.018 1.00 0.00 H new ATOM 0 HG12 ILE A 99 -0.151 4.005 4.572 1.00 0.00 H new ATOM 0 HG13 ILE A 99 0.667 4.198 3.035 1.00 0.00 H new ATOM 0 HG21 ILE A 99 0.990 2.025 1.624 1.00 0.00 H new ATOM 0 HG22 ILE A 99 1.031 0.468 2.486 1.00 0.00 H new ATOM 0 HG23 ILE A 99 -0.529 1.244 2.124 1.00 0.00 H new ATOM 0 HD11 ILE A 99 -1.732 4.620 2.810 1.00 0.00 H new ATOM 0 HD12 ILE A 99 -1.260 3.187 1.867 1.00 0.00 H new ATOM 0 HD13 ILE A 99 -2.091 2.991 3.428 1.00 0.00 H new ATOM 1272 N HIS A 100 1.587 0.616 6.419 1.00 0.00 N ATOM 1273 CA HIS A 100 2.382 0.712 7.631 1.00 0.00 C ATOM 1274 C HIS A 100 3.853 0.450 7.359 1.00 0.00 C ATOM 1275 O HIS A 100 4.207 -0.577 6.777 1.00 0.00 O ATOM 1276 CB HIS A 100 1.876 -0.269 8.693 1.00 0.00 C ATOM 1277 CG HIS A 100 1.017 0.365 9.746 1.00 0.00 C ATOM 1278 ND1 HIS A 100 -0.112 1.103 9.645 1.00 0.00 N flip ATOM 1279 CD2 HIS A 100 1.276 0.252 11.093 1.00 0.00 C flip ATOM 1280 CE1 HIS A 100 -0.514 1.418 10.919 1.00 0.00 C flip ATOM 1281 NE2 HIS A 100 0.342 0.891 11.774 1.00 0.00 N flip ATOM 0 H HIS A 100 1.796 -0.194 5.835 1.00 0.00 H new ATOM 0 HA HIS A 100 2.277 1.731 8.002 1.00 0.00 H new ATOM 0 HB2 HIS A 100 1.308 -1.059 8.202 1.00 0.00 H new ATOM 0 HB3 HIS A 100 2.732 -0.743 9.173 1.00 0.00 H new ATOM 0 HD2 HIS A 100 2.112 -0.277 11.526 1.00 0.00 H new ATOM 0 HE1 HIS A 100 -1.386 2.000 11.179 1.00 0.00 H new ATOM 0 HE2 HIS A 100 0.291 0.965 12.790 1.00 0.00 H new ATOM 1290 N TYR A 101 4.679 1.416 7.748 1.00 0.00 N ATOM 1291 CA TYR A 101 6.128 1.249 7.848 1.00 0.00 C ATOM 1292 C TYR A 101 6.793 2.598 8.078 1.00 0.00 C ATOM 1293 O TYR A 101 6.347 3.388 8.909 1.00 0.00 O ATOM 1294 CB TYR A 101 6.772 0.564 6.625 1.00 0.00 C ATOM 1295 CG TYR A 101 8.187 0.029 6.887 1.00 0.00 C ATOM 1296 CD1 TYR A 101 8.762 0.075 8.158 1.00 0.00 C ATOM 1297 CD2 TYR A 101 8.936 -0.540 5.866 1.00 0.00 C ATOM 1298 CE1 TYR A 101 10.029 -0.424 8.392 1.00 0.00 C ATOM 1299 CE2 TYR A 101 10.202 -1.045 6.095 1.00 0.00 C ATOM 1300 CZ TYR A 101 10.744 -0.984 7.358 1.00 0.00 C ATOM 1301 OH TYR A 101 12.001 -1.496 7.590 1.00 0.00 O ATOM 0 H TYR A 101 4.359 2.349 8.006 1.00 0.00 H new ATOM 0 HA TYR A 101 6.291 0.584 8.696 1.00 0.00 H new ATOM 0 HB2 TYR A 101 6.135 -0.261 6.306 1.00 0.00 H new ATOM 0 HB3 TYR A 101 6.810 1.275 5.800 1.00 0.00 H new ATOM 0 HD1 TYR A 101 8.205 0.509 8.975 1.00 0.00 H new ATOM 0 HD2 TYR A 101 8.520 -0.589 4.870 1.00 0.00 H new ATOM 0 HE1 TYR A 101 10.457 -0.375 9.383 1.00 0.00 H new ATOM 0 HE2 TYR A 101 10.764 -1.486 5.285 1.00 0.00 H new ATOM 0 HH TYR A 101 12.367 -1.855 6.755 1.00 0.00 H new ATOM 1311 N ASN A 102 7.805 2.875 7.272 1.00 0.00 N ATOM 1312 CA ASN A 102 8.823 3.845 7.595 1.00 0.00 C ATOM 1313 C ASN A 102 9.712 4.035 6.378 1.00 0.00 C ATOM 1314 O ASN A 102 9.402 3.535 5.295 1.00 0.00 O ATOM 1315 CB ASN A 102 9.657 3.302 8.764 1.00 0.00 C ATOM 1316 CG ASN A 102 9.113 3.685 10.129 1.00 0.00 C ATOM 1317 OD1 ASN A 102 8.362 2.935 10.748 1.00 0.00 O ATOM 1318 ND2 ASN A 102 9.498 4.853 10.613 1.00 0.00 N ATOM 0 H ASN A 102 7.939 2.424 6.367 1.00 0.00 H new ATOM 0 HA ASN A 102 8.375 4.799 7.874 1.00 0.00 H new ATOM 0 HB2 ASN A 102 9.703 2.215 8.692 1.00 0.00 H new ATOM 0 HB3 ASN A 102 10.679 3.671 8.673 1.00 0.00 H new ATOM 0 HD21 ASN A 102 9.171 5.158 11.530 1.00 0.00 H new ATOM 0 HD22 ASN A 102 10.123 5.449 10.070 1.00 0.00 H new ATOM 1393 N ASP A 107 21.809 -1.210 7.106 1.00 0.00 N ATOM 1394 CA ASP A 107 22.882 -1.911 7.807 1.00 0.00 C ATOM 1395 C ASP A 107 23.870 -2.357 6.760 1.00 0.00 C ATOM 1396 O ASP A 107 23.487 -2.413 5.610 1.00 0.00 O ATOM 1397 CB ASP A 107 22.351 -3.147 8.540 1.00 0.00 C ATOM 1398 CG ASP A 107 21.472 -2.818 9.725 1.00 0.00 C ATOM 1399 OD1 ASP A 107 20.243 -2.694 9.542 1.00 0.00 O ATOM 1400 OD2 ASP A 107 22.007 -2.696 10.849 1.00 0.00 O ATOM 0 HA ASP A 107 23.334 -1.250 8.546 1.00 0.00 H new ATOM 0 HB2 ASP A 107 21.786 -3.760 7.838 1.00 0.00 H new ATOM 0 HB3 ASP A 107 23.195 -3.748 8.880 1.00 0.00 H new ATOM 1405 N PRO A 108 25.126 -2.695 7.123 1.00 0.00 N ATOM 1406 CA PRO A 108 26.157 -3.149 6.173 1.00 0.00 C ATOM 1407 C PRO A 108 25.601 -3.917 4.968 1.00 0.00 C ATOM 1408 O PRO A 108 25.921 -3.612 3.820 1.00 0.00 O ATOM 1409 CB PRO A 108 26.990 -4.066 7.054 1.00 0.00 C ATOM 1410 CG PRO A 108 26.986 -3.394 8.388 1.00 0.00 C ATOM 1411 CD PRO A 108 25.667 -2.655 8.496 1.00 0.00 C ATOM 0 HA PRO A 108 26.694 -2.318 5.715 1.00 0.00 H new ATOM 0 HB2 PRO A 108 26.558 -5.065 7.110 1.00 0.00 H new ATOM 0 HB3 PRO A 108 28.003 -4.178 6.667 1.00 0.00 H new ATOM 0 HG2 PRO A 108 27.088 -4.125 9.190 1.00 0.00 H new ATOM 0 HG3 PRO A 108 27.825 -2.704 8.477 1.00 0.00 H new ATOM 0 HD2 PRO A 108 24.995 -3.138 9.205 1.00 0.00 H new ATOM 0 HD3 PRO A 108 25.810 -1.631 8.840 1.00 0.00 H new ATOM 1419 N LYS A 109 24.741 -4.887 5.255 1.00 0.00 N ATOM 1420 CA LYS A 109 24.102 -5.718 4.233 1.00 0.00 C ATOM 1421 C LYS A 109 23.325 -4.892 3.206 1.00 0.00 C ATOM 1422 O LYS A 109 23.471 -5.079 2.004 1.00 0.00 O ATOM 1423 CB LYS A 109 23.152 -6.706 4.923 1.00 0.00 C ATOM 1424 CG LYS A 109 22.159 -6.028 5.865 1.00 0.00 C ATOM 1425 CD LYS A 109 21.364 -7.035 6.692 1.00 0.00 C ATOM 1426 CE LYS A 109 20.442 -7.900 5.842 1.00 0.00 C ATOM 1427 NZ LYS A 109 19.329 -7.117 5.245 1.00 0.00 N ATOM 0 H LYS A 109 24.464 -5.123 6.208 1.00 0.00 H new ATOM 0 HA LYS A 109 24.887 -6.245 3.691 1.00 0.00 H new ATOM 0 HB2 LYS A 109 22.601 -7.261 4.164 1.00 0.00 H new ATOM 0 HB3 LYS A 109 23.739 -7.432 5.486 1.00 0.00 H new ATOM 0 HG2 LYS A 109 22.697 -5.356 6.534 1.00 0.00 H new ATOM 0 HG3 LYS A 109 21.471 -5.415 5.283 1.00 0.00 H new ATOM 0 HD2 LYS A 109 22.056 -7.677 7.238 1.00 0.00 H new ATOM 0 HD3 LYS A 109 20.771 -6.501 7.435 1.00 0.00 H new ATOM 0 HE2 LYS A 109 21.020 -8.371 5.047 1.00 0.00 H new ATOM 0 HE3 LYS A 109 20.031 -8.702 6.456 1.00 0.00 H new ATOM 0 HZ1 LYS A 109 18.434 -7.632 5.374 1.00 0.00 H new ATOM 0 HZ2 LYS A 109 19.266 -6.191 5.713 1.00 0.00 H new ATOM 0 HZ3 LYS A 109 19.506 -6.980 4.229 1.00 0.00 H new ATOM 1441 N GLN A 110 22.502 -3.987 3.698 1.00 0.00 N ATOM 1442 CA GLN A 110 21.662 -3.152 2.864 1.00 0.00 C ATOM 1443 C GLN A 110 22.387 -1.867 2.504 1.00 0.00 C ATOM 1444 O GLN A 110 21.989 -1.133 1.606 1.00 0.00 O ATOM 1445 CB GLN A 110 20.383 -2.840 3.621 1.00 0.00 C ATOM 1446 CG GLN A 110 19.366 -3.953 3.601 1.00 0.00 C ATOM 1447 CD GLN A 110 18.800 -4.224 2.218 1.00 0.00 C ATOM 1448 OE1 GLN A 110 18.718 -3.329 1.376 1.00 0.00 O ATOM 1449 NE2 GLN A 110 18.385 -5.457 1.980 1.00 0.00 N ATOM 0 H GLN A 110 22.397 -3.809 4.697 1.00 0.00 H new ATOM 0 HA GLN A 110 21.424 -3.677 1.939 1.00 0.00 H new ATOM 0 HB2 GLN A 110 20.634 -2.611 4.657 1.00 0.00 H new ATOM 0 HB3 GLN A 110 19.932 -1.943 3.196 1.00 0.00 H new ATOM 0 HG2 GLN A 110 19.827 -4.864 3.982 1.00 0.00 H new ATOM 0 HG3 GLN A 110 18.549 -3.702 4.278 1.00 0.00 H new ATOM 0 HE21 GLN A 110 18.469 -6.172 2.703 1.00 0.00 H new ATOM 0 HE22 GLN A 110 17.981 -5.693 1.074 1.00 0.00 H new ATOM 1458 N LEU A 111 23.473 -1.622 3.208 1.00 0.00 N ATOM 1459 CA LEU A 111 24.226 -0.400 3.071 1.00 0.00 C ATOM 1460 C LEU A 111 25.044 -0.457 1.793 1.00 0.00 C ATOM 1461 O LEU A 111 25.172 0.537 1.082 1.00 0.00 O ATOM 1462 CB LEU A 111 25.107 -0.210 4.316 1.00 0.00 C ATOM 1463 CG LEU A 111 25.916 1.091 4.415 1.00 0.00 C ATOM 1464 CD1 LEU A 111 27.158 1.033 3.540 1.00 0.00 C ATOM 1465 CD2 LEU A 111 25.049 2.286 4.043 1.00 0.00 C ATOM 0 H LEU A 111 23.857 -2.271 3.894 1.00 0.00 H new ATOM 0 HA LEU A 111 23.560 0.460 2.999 1.00 0.00 H new ATOM 0 HB2 LEU A 111 24.467 -0.277 5.196 1.00 0.00 H new ATOM 0 HB3 LEU A 111 25.805 -1.046 4.366 1.00 0.00 H new ATOM 0 HG LEU A 111 26.243 1.209 5.448 1.00 0.00 H new ATOM 0 HD11 LEU A 111 27.711 1.968 3.631 1.00 0.00 H new ATOM 0 HD12 LEU A 111 27.790 0.205 3.860 1.00 0.00 H new ATOM 0 HD13 LEU A 111 26.864 0.884 2.501 1.00 0.00 H new ATOM 0 HD21 LEU A 111 25.638 3.200 4.118 1.00 0.00 H new ATOM 0 HD22 LEU A 111 24.688 2.170 3.021 1.00 0.00 H new ATOM 0 HD23 LEU A 111 24.199 2.345 4.723 1.00 0.00 H new ATOM 1477 N GLU A 112 25.578 -1.637 1.491 1.00 0.00 N ATOM 1478 CA GLU A 112 26.285 -1.846 0.234 1.00 0.00 C ATOM 1479 C GLU A 112 25.286 -1.838 -0.921 1.00 0.00 C ATOM 1480 O GLU A 112 25.627 -1.524 -2.062 1.00 0.00 O ATOM 1481 CB GLU A 112 27.048 -3.164 0.262 1.00 0.00 C ATOM 1482 CG GLU A 112 26.163 -4.344 0.596 1.00 0.00 C ATOM 1483 CD GLU A 112 26.836 -5.674 0.333 1.00 0.00 C ATOM 1484 OE1 GLU A 112 26.897 -6.098 -0.840 1.00 0.00 O ATOM 1485 OE2 GLU A 112 27.305 -6.306 1.302 1.00 0.00 O ATOM 0 H GLU A 112 25.535 -2.457 2.096 1.00 0.00 H new ATOM 0 HA GLU A 112 27.004 -1.039 0.094 1.00 0.00 H new ATOM 0 HB2 GLU A 112 27.516 -3.329 -0.709 1.00 0.00 H new ATOM 0 HB3 GLU A 112 27.851 -3.098 0.996 1.00 0.00 H new ATOM 0 HG2 GLU A 112 25.873 -4.290 1.645 1.00 0.00 H new ATOM 0 HG3 GLU A 112 25.247 -4.283 0.009 1.00 0.00 H new ATOM 1492 N VAL A 113 24.046 -2.186 -0.603 1.00 0.00 N ATOM 1493 CA VAL A 113 22.950 -2.102 -1.556 1.00 0.00 C ATOM 1494 C VAL A 113 22.673 -0.645 -1.886 1.00 0.00 C ATOM 1495 O VAL A 113 22.510 -0.275 -3.049 1.00 0.00 O ATOM 1496 CB VAL A 113 21.675 -2.756 -0.991 1.00 0.00 C ATOM 1497 CG1 VAL A 113 20.516 -2.634 -1.965 1.00 0.00 C ATOM 1498 CG2 VAL A 113 21.937 -4.209 -0.649 1.00 0.00 C ATOM 0 H VAL A 113 23.774 -2.532 0.317 1.00 0.00 H new ATOM 0 HA VAL A 113 23.239 -2.638 -2.460 1.00 0.00 H new ATOM 0 HB VAL A 113 21.398 -2.227 -0.079 1.00 0.00 H new ATOM 0 HG11 VAL A 113 19.631 -3.105 -1.538 1.00 0.00 H new ATOM 0 HG12 VAL A 113 20.310 -1.581 -2.156 1.00 0.00 H new ATOM 0 HG13 VAL A 113 20.774 -3.129 -2.901 1.00 0.00 H new ATOM 0 HG21 VAL A 113 21.027 -4.659 -0.251 1.00 0.00 H new ATOM 0 HG22 VAL A 113 22.243 -4.745 -1.547 1.00 0.00 H new ATOM 0 HG23 VAL A 113 22.729 -4.270 0.098 1.00 0.00 H new ATOM 1508 N LEU A 114 22.654 0.185 -0.849 1.00 0.00 N ATOM 1509 CA LEU A 114 22.484 1.619 -1.019 1.00 0.00 C ATOM 1510 C LEU A 114 23.737 2.215 -1.641 1.00 0.00 C ATOM 1511 O LEU A 114 23.694 3.281 -2.252 1.00 0.00 O ATOM 1512 CB LEU A 114 22.181 2.299 0.324 1.00 0.00 C ATOM 1513 CG LEU A 114 20.695 2.453 0.683 1.00 0.00 C ATOM 1514 CD1 LEU A 114 19.994 3.367 -0.310 1.00 0.00 C ATOM 1515 CD2 LEU A 114 19.998 1.100 0.738 1.00 0.00 C ATOM 0 H LEU A 114 22.755 -0.114 0.121 1.00 0.00 H new ATOM 0 HA LEU A 114 21.637 1.792 -1.683 1.00 0.00 H new ATOM 0 HB2 LEU A 114 22.668 1.729 1.115 1.00 0.00 H new ATOM 0 HB3 LEU A 114 22.637 3.289 0.318 1.00 0.00 H new ATOM 0 HG LEU A 114 20.638 2.904 1.674 1.00 0.00 H new ATOM 0 HD11 LEU A 114 18.943 3.462 -0.037 1.00 0.00 H new ATOM 0 HD12 LEU A 114 20.464 4.350 -0.294 1.00 0.00 H new ATOM 0 HD13 LEU A 114 20.072 2.944 -1.312 1.00 0.00 H new ATOM 0 HD21 LEU A 114 18.948 1.242 0.994 1.00 0.00 H new ATOM 0 HD22 LEU A 114 20.072 0.613 -0.234 1.00 0.00 H new ATOM 0 HD23 LEU A 114 20.475 0.476 1.494 1.00 0.00 H new ATOM 1527 N PHE A 115 24.845 1.501 -1.499 1.00 0.00 N ATOM 1528 CA PHE A 115 26.117 1.944 -2.042 1.00 0.00 C ATOM 1529 C PHE A 115 26.147 1.754 -3.552 1.00 0.00 C ATOM 1530 O PHE A 115 26.662 2.599 -4.285 1.00 0.00 O ATOM 1531 CB PHE A 115 27.262 1.169 -1.391 1.00 0.00 C ATOM 1532 CG PHE A 115 28.625 1.560 -1.890 1.00 0.00 C ATOM 1533 CD1 PHE A 115 29.165 2.797 -1.580 1.00 0.00 C ATOM 1534 CD2 PHE A 115 29.366 0.686 -2.674 1.00 0.00 C ATOM 1535 CE1 PHE A 115 30.418 3.157 -2.039 1.00 0.00 C ATOM 1536 CE2 PHE A 115 30.619 1.041 -3.135 1.00 0.00 C ATOM 1537 CZ PHE A 115 31.145 2.278 -2.819 1.00 0.00 C ATOM 0 H PHE A 115 24.886 0.607 -1.009 1.00 0.00 H new ATOM 0 HA PHE A 115 26.238 3.005 -1.824 1.00 0.00 H new ATOM 0 HB2 PHE A 115 27.223 1.321 -0.312 1.00 0.00 H new ATOM 0 HB3 PHE A 115 27.113 0.104 -1.568 1.00 0.00 H new ATOM 0 HD1 PHE A 115 28.600 3.489 -0.972 1.00 0.00 H new ATOM 0 HD2 PHE A 115 28.958 -0.282 -2.926 1.00 0.00 H new ATOM 0 HE1 PHE A 115 30.828 4.124 -1.788 1.00 0.00 H new ATOM 0 HE2 PHE A 115 31.187 0.351 -3.742 1.00 0.00 H new ATOM 0 HZ PHE A 115 32.123 2.558 -3.181 1.00 0.00 H new ATOM 1721 N LEU A 126 4.130 -7.328 -7.347 1.00 0.00 N ATOM 1722 CA LEU A 126 2.686 -7.261 -7.184 1.00 0.00 C ATOM 1723 C LEU A 126 2.231 -5.830 -7.403 1.00 0.00 C ATOM 1724 O LEU A 126 3.055 -4.916 -7.445 1.00 0.00 O ATOM 1725 CB LEU A 126 2.282 -7.724 -5.779 1.00 0.00 C ATOM 1726 CG LEU A 126 2.515 -6.697 -4.676 1.00 0.00 C ATOM 1727 CD1 LEU A 126 1.208 -6.053 -4.238 1.00 0.00 C ATOM 1728 CD2 LEU A 126 3.208 -7.341 -3.498 1.00 0.00 C ATOM 0 HA LEU A 126 2.212 -7.918 -7.913 1.00 0.00 H new ATOM 0 HB2 LEU A 126 1.225 -7.992 -5.790 1.00 0.00 H new ATOM 0 HB3 LEU A 126 2.838 -8.630 -5.536 1.00 0.00 H new ATOM 0 HG LEU A 126 3.157 -5.912 -5.076 1.00 0.00 H new ATOM 0 HD11 LEU A 126 1.407 -5.326 -3.451 1.00 0.00 H new ATOM 0 HD12 LEU A 126 0.747 -5.551 -5.088 1.00 0.00 H new ATOM 0 HD13 LEU A 126 0.533 -6.821 -3.860 1.00 0.00 H new ATOM 0 HD21 LEU A 126 3.368 -6.596 -2.718 1.00 0.00 H new ATOM 0 HD22 LEU A 126 2.588 -8.148 -3.107 1.00 0.00 H new ATOM 0 HD23 LEU A 126 4.169 -7.744 -3.817 1.00 0.00 H new ATOM 1740 N LYS A 127 0.935 -5.624 -7.523 1.00 0.00 N ATOM 1741 CA LYS A 127 0.407 -4.291 -7.681 1.00 0.00 C ATOM 1742 C LYS A 127 -1.005 -4.202 -7.144 1.00 0.00 C ATOM 1743 O LYS A 127 -1.862 -5.030 -7.453 1.00 0.00 O ATOM 1744 CB LYS A 127 0.441 -3.843 -9.148 1.00 0.00 C ATOM 1745 CG LYS A 127 -0.392 -4.699 -10.093 1.00 0.00 C ATOM 1746 CD LYS A 127 -0.449 -4.098 -11.492 1.00 0.00 C ATOM 1747 CE LYS A 127 -1.241 -2.796 -11.526 1.00 0.00 C ATOM 1748 NZ LYS A 127 -2.674 -2.991 -11.164 1.00 0.00 N ATOM 0 H LYS A 127 0.232 -6.363 -7.514 1.00 0.00 H new ATOM 0 HA LYS A 127 1.045 -3.620 -7.105 1.00 0.00 H new ATOM 0 HB2 LYS A 127 0.090 -2.813 -9.208 1.00 0.00 H new ATOM 0 HB3 LYS A 127 1.475 -3.848 -9.492 1.00 0.00 H new ATOM 0 HG2 LYS A 127 0.031 -5.702 -10.144 1.00 0.00 H new ATOM 0 HG3 LYS A 127 -1.403 -4.799 -9.698 1.00 0.00 H new ATOM 0 HD2 LYS A 127 0.565 -3.914 -11.849 1.00 0.00 H new ATOM 0 HD3 LYS A 127 -0.903 -4.815 -12.176 1.00 0.00 H new ATOM 0 HE2 LYS A 127 -0.789 -2.082 -10.838 1.00 0.00 H new ATOM 0 HE3 LYS A 127 -1.177 -2.361 -12.524 1.00 0.00 H new ATOM 0 HZ1 LYS A 127 -3.214 -2.137 -11.411 1.00 0.00 H new ATOM 0 HZ2 LYS A 127 -3.056 -3.805 -11.686 1.00 0.00 H new ATOM 0 HZ3 LYS A 127 -2.753 -3.167 -10.142 1.00 0.00 H new ATOM 1762 N VAL A 128 -1.229 -3.209 -6.315 1.00 0.00 N ATOM 1763 CA VAL A 128 -2.566 -2.844 -5.929 1.00 0.00 C ATOM 1764 C VAL A 128 -2.754 -1.392 -6.288 1.00 0.00 C ATOM 1765 O VAL A 128 -2.851 -0.575 -5.370 1.00 0.00 O ATOM 1766 CB VAL A 128 -2.875 -3.031 -4.428 1.00 0.00 C ATOM 1767 CG1 VAL A 128 -4.024 -3.995 -4.240 1.00 0.00 C ATOM 1768 CG2 VAL A 128 -1.669 -3.496 -3.646 1.00 0.00 C ATOM 1769 OXT VAL A 128 -2.739 -1.069 -7.490 1.00 0.00 O ATOM 0 H VAL A 128 -0.496 -2.638 -5.894 1.00 0.00 H new ATOM 0 HA VAL A 128 -3.250 -3.510 -6.456 1.00 0.00 H new ATOM 0 HB VAL A 128 -3.158 -2.054 -4.037 1.00 0.00 H new ATOM 0 HG11 VAL A 128 -4.228 -4.115 -3.176 1.00 0.00 H new ATOM 0 HG12 VAL A 128 -4.912 -3.605 -4.738 1.00 0.00 H new ATOM 0 HG13 VAL A 128 -3.762 -4.962 -4.670 1.00 0.00 H new ATOM 0 HG21 VAL A 128 -1.939 -3.612 -2.596 1.00 0.00 H new ATOM 0 HG22 VAL A 128 -1.326 -4.452 -4.041 1.00 0.00 H new ATOM 0 HG23 VAL A 128 -0.871 -2.759 -3.736 1.00 0.00 H new