USER MOD reduce.3.24.130724 H: found=0, std=0, add=837, rem=0, adj=20 USER MOD reduce.3.24.130724 removed 835 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 65 SER OG : rot 180:sc= 0 USER MOD Set 1.2: A 66 HIS : no HD1:sc= -0.0763 X(o=-0.076,f=0) USER MOD Set 2.1: A 51 HIS : no HE2:sc= -0.378 K(o=-1.3,f=-4.6!) USER MOD Set 2.2: A 56 HIS : no HD1:sc= -0.943 K(o=-1.3,f=-2.7!) USER MOD Set 3.1: A 49 GLN :FLIP amide:sc= -3.84! F(o=-6.6,f=-5.6!) USER MOD Set 3.2: A 58 GLN :FLIP amide:sc= -1.78 F(o=-11!,f=-5.6) USER MOD Set 4.1: A 43 GLN : amide:sc= -3.42! C(o=-4.1!,f=-6.3!) USER MOD Set 4.2: A 123 GLN : amide:sc= -0.64 K(o=-4.1,f=-7.9!) USER MOD Set 5.1: A 19 THR OG1 : rot 180:sc= 0 USER MOD Set 5.2: A 36 THR OG1 : rot -150:sc= 0 USER MOD Single : A 15 GLN : amide:sc= -0.464 X(o=-0.46,f=-0.066) USER MOD Single : A 23 MET CE :methyl 144:sc= -0.319 (180deg=-1.56!) USER MOD Single : A 25 MET CE :methyl -176:sc= -0.418 (180deg=-0.476) USER MOD Single : A 26 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 33 CYS SG : rot 130:sc= -3.13 USER MOD Single : A 39 GLN : amide:sc= -2.26! C(o=-2.3!,f=-6.7!) USER MOD Single : A 41 ASN : amide:sc= -0.066 K(o=-0.066,f=-2.1!) USER MOD Single : A 44 TYR OH : rot 180:sc= 0 USER MOD Single : A 53 LYS NZ :NH3+ 163:sc= -0.0292 (180deg=-0.398) USER MOD Single : A 55 GLN : amide:sc= 0 X(o=0,f=-0.29) USER MOD Single : A 64 ASN : amide:sc= -1.38! C(o=-1.4!,f=-14!) USER MOD Single : A 69 CYS SG : rot 180:sc= -0.448 USER MOD Single : A 71 GLN :FLIP amide:sc= -10.8! C(o=-16!,f=-11!) USER MOD Single : A 83 SER OG : rot -67:sc= 0.791 USER MOD Single : A 84 ASN :FLIP amide:sc= -6.32! C(o=-7.8!,f=-6.3!) USER MOD Single : A 85 SER OG : rot -21:sc= 1.31 USER MOD Single : A 88 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 92 GLN :FLIP amide:sc= -6.95! C(o=-11!,f=-7!) USER MOD Single : A 108 HIS :FLIP no HD1:sc= -0.168 F(o=-0.78,f=-0.17) USER MOD Single : A 111 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 114 SER OG : rot 180:sc= 0 USER MOD Single : A 120 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 121 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 124 SER OG : rot 99:sc= 1.24 USER MOD ----------------------------------------------------------------- ATOM 107 N PRO A 9 -1.859 1.567 15.101 1.00 1.00 N ATOM 108 CA PRO A 9 -0.573 2.101 14.555 1.00 1.00 C ATOM 109 C PRO A 9 -0.805 3.110 13.431 1.00 1.00 C ATOM 110 O PRO A 9 -0.026 4.045 13.251 1.00 1.00 O ATOM 111 CB PRO A 9 0.155 0.844 14.038 1.00 1.00 C ATOM 112 CG PRO A 9 -0.923 -0.170 13.824 1.00 1.00 C ATOM 113 CD PRO A 9 -1.978 0.115 14.888 1.00 1.00 C ATOM 0 HA PRO A 9 0.000 2.645 15.305 1.00 1.00 H new ATOM 0 HB2 PRO A 9 0.690 1.052 13.112 1.00 1.00 H new ATOM 0 HB3 PRO A 9 0.891 0.490 14.759 1.00 1.00 H new ATOM 0 HG2 PRO A 9 -1.345 -0.087 12.823 1.00 1.00 H new ATOM 0 HG3 PRO A 9 -0.532 -1.183 13.922 1.00 1.00 H new ATOM 0 HD2 PRO A 9 -2.976 -0.162 14.549 1.00 1.00 H new ATOM 0 HD3 PRO A 9 -1.786 -0.443 15.804 1.00 1.00 H new ATOM 121 N LEU A 10 -1.880 2.909 12.680 1.00 1.00 N ATOM 122 CA LEU A 10 -2.206 3.802 11.575 1.00 1.00 C ATOM 123 C LEU A 10 -2.627 5.176 12.115 1.00 1.00 C ATOM 124 O LEU A 10 -3.029 5.274 13.275 1.00 1.00 O ATOM 125 CB LEU A 10 -3.349 3.200 10.749 1.00 1.00 C ATOM 126 CG LEU A 10 -2.919 1.843 10.159 1.00 1.00 C ATOM 127 CD1 LEU A 10 -4.162 1.011 9.823 1.00 1.00 C ATOM 128 CD2 LEU A 10 -2.096 2.059 8.879 1.00 1.00 C ATOM 0 H LEU A 10 -2.537 2.141 12.814 1.00 1.00 H new ATOM 0 HA LEU A 10 -1.326 3.924 10.944 1.00 1.00 H new ATOM 0 HB2 LEU A 10 -4.231 3.070 11.376 1.00 1.00 H new ATOM 0 HB3 LEU A 10 -3.626 3.883 9.946 1.00 1.00 H new ATOM 0 HG LEU A 10 -2.310 1.317 10.894 1.00 1.00 H new ATOM 0 HD11 LEU A 10 -3.856 0.052 9.406 1.00 1.00 H new ATOM 0 HD12 LEU A 10 -4.744 0.843 10.729 1.00 1.00 H new ATOM 0 HD13 LEU A 10 -4.772 1.546 9.094 1.00 1.00 H new ATOM 0 HD21 LEU A 10 -1.798 1.093 8.471 1.00 1.00 H new ATOM 0 HD22 LEU A 10 -2.699 2.593 8.144 1.00 1.00 H new ATOM 0 HD23 LEU A 10 -1.207 2.644 9.113 1.00 1.00 H new ATOM 140 N PRO A 11 -2.563 6.236 11.328 1.00 1.00 N ATOM 141 CA PRO A 11 -2.975 7.590 11.813 1.00 1.00 C ATOM 142 C PRO A 11 -4.443 7.615 12.235 1.00 1.00 C ATOM 143 O PRO A 11 -5.286 6.947 11.638 1.00 1.00 O ATOM 144 CB PRO A 11 -2.725 8.526 10.614 1.00 1.00 C ATOM 145 CG PRO A 11 -1.794 7.774 9.719 1.00 1.00 C ATOM 146 CD PRO A 11 -2.105 6.293 9.923 1.00 1.00 C ATOM 0 HA PRO A 11 -2.414 7.892 12.698 1.00 1.00 H new ATOM 0 HB2 PRO A 11 -3.656 8.767 10.101 1.00 1.00 H new ATOM 0 HB3 PRO A 11 -2.285 9.470 10.936 1.00 1.00 H new ATOM 0 HG2 PRO A 11 -1.939 8.062 8.678 1.00 1.00 H new ATOM 0 HG3 PRO A 11 -0.755 7.991 9.968 1.00 1.00 H new ATOM 0 HD2 PRO A 11 -2.874 5.944 9.234 1.00 1.00 H new ATOM 0 HD3 PRO A 11 -1.225 5.670 9.760 1.00 1.00 H new ATOM 154 N VAL A 12 -4.731 8.388 13.270 1.00 1.00 N ATOM 155 CA VAL A 12 -6.096 8.499 13.777 1.00 1.00 C ATOM 156 C VAL A 12 -7.005 9.198 12.770 1.00 1.00 C ATOM 157 O VAL A 12 -8.121 8.749 12.512 1.00 1.00 O ATOM 158 CB VAL A 12 -6.098 9.273 15.095 1.00 1.00 C ATOM 159 CG1 VAL A 12 -5.513 10.673 14.872 1.00 1.00 C ATOM 160 CG2 VAL A 12 -7.536 9.394 15.608 1.00 1.00 C ATOM 0 H VAL A 12 -4.044 8.947 13.776 1.00 1.00 H new ATOM 0 HA VAL A 12 -6.479 7.492 13.941 1.00 1.00 H new ATOM 0 HB VAL A 12 -5.491 8.743 15.829 1.00 1.00 H new ATOM 0 HG11 VAL A 12 -5.516 11.223 15.813 1.00 1.00 H new ATOM 0 HG12 VAL A 12 -4.490 10.586 14.506 1.00 1.00 H new ATOM 0 HG13 VAL A 12 -6.117 11.207 14.138 1.00 1.00 H new ATOM 0 HG21 VAL A 12 -7.542 9.946 16.548 1.00 1.00 H new ATOM 0 HG22 VAL A 12 -8.141 9.924 14.873 1.00 1.00 H new ATOM 0 HG23 VAL A 12 -7.950 8.399 15.769 1.00 1.00 H new ATOM 170 N GLY A 13 -6.522 10.300 12.210 1.00 1.00 N ATOM 171 CA GLY A 13 -7.299 11.061 11.238 1.00 1.00 C ATOM 172 C GLY A 13 -7.524 10.255 9.962 1.00 1.00 C ATOM 173 O GLY A 13 -8.518 10.450 9.264 1.00 1.00 O ATOM 0 H GLY A 13 -5.600 10.686 12.411 1.00 1.00 H new ATOM 0 HA2 GLY A 13 -8.260 11.337 11.672 1.00 1.00 H new ATOM 0 HA3 GLY A 13 -6.779 11.989 10.999 1.00 1.00 H new ATOM 177 N ALA A 14 -6.589 9.364 9.658 1.00 1.00 N ATOM 178 CA ALA A 14 -6.691 8.549 8.454 1.00 1.00 C ATOM 179 C ALA A 14 -7.899 7.621 8.521 1.00 1.00 C ATOM 180 O ALA A 14 -8.208 7.060 9.571 1.00 1.00 O ATOM 181 CB ALA A 14 -5.419 7.714 8.280 1.00 1.00 C ATOM 0 H ALA A 14 -5.758 9.188 10.223 1.00 1.00 H new ATOM 0 HA ALA A 14 -6.813 9.218 7.602 1.00 1.00 H new ATOM 0 HB1 ALA A 14 -5.502 7.107 7.378 1.00 1.00 H new ATOM 0 HB2 ALA A 14 -4.558 8.377 8.193 1.00 1.00 H new ATOM 0 HB3 ALA A 14 -5.290 7.063 9.145 1.00 1.00 H new ATOM 187 N GLN A 15 -8.567 7.458 7.379 1.00 1.00 N ATOM 188 CA GLN A 15 -9.739 6.581 7.285 1.00 1.00 C ATOM 189 C GLN A 15 -9.342 5.292 6.563 1.00 1.00 C ATOM 190 O GLN A 15 -9.598 5.163 5.369 1.00 1.00 O ATOM 191 CB GLN A 15 -10.839 7.275 6.473 1.00 1.00 C ATOM 192 CG GLN A 15 -11.181 8.640 7.100 1.00 1.00 C ATOM 193 CD GLN A 15 -12.209 8.471 8.217 1.00 1.00 C ATOM 194 OE1 GLN A 15 -12.036 9.017 9.307 1.00 1.00 O ATOM 195 NE2 GLN A 15 -13.272 7.741 8.011 1.00 1.00 N ATOM 0 H GLN A 15 -8.318 7.921 6.505 1.00 1.00 H new ATOM 0 HA GLN A 15 -10.104 6.359 8.288 1.00 1.00 H new ATOM 0 HB2 GLN A 15 -10.510 7.412 5.443 1.00 1.00 H new ATOM 0 HB3 GLN A 15 -11.730 6.647 6.442 1.00 1.00 H new ATOM 0 HG2 GLN A 15 -10.277 9.102 7.496 1.00 1.00 H new ATOM 0 HG3 GLN A 15 -11.573 9.311 6.335 1.00 1.00 H new ATOM 0 HE21 GLN A 15 -13.413 7.290 7.107 1.00 1.00 H new ATOM 0 HE22 GLN A 15 -13.961 7.622 8.754 1.00 1.00 H new ATOM 204 N PRO A 16 -8.709 4.353 7.234 1.00 1.00 N ATOM 205 CA PRO A 16 -8.254 3.084 6.581 1.00 1.00 C ATOM 206 C PRO A 16 -9.411 2.258 6.021 1.00 1.00 C ATOM 207 O PRO A 16 -10.028 1.466 6.732 1.00 1.00 O ATOM 208 CB PRO A 16 -7.511 2.339 7.706 1.00 1.00 C ATOM 209 CG PRO A 16 -8.071 2.904 8.966 1.00 1.00 C ATOM 210 CD PRO A 16 -8.358 4.373 8.669 1.00 1.00 C ATOM 0 HA PRO A 16 -7.625 3.276 5.712 1.00 1.00 H new ATOM 0 HB2 PRO A 16 -7.677 1.263 7.646 1.00 1.00 H new ATOM 0 HB3 PRO A 16 -6.435 2.499 7.644 1.00 1.00 H new ATOM 0 HG2 PRO A 16 -8.980 2.379 9.260 1.00 1.00 H new ATOM 0 HG3 PRO A 16 -7.364 2.802 9.789 1.00 1.00 H new ATOM 0 HD2 PRO A 16 -9.175 4.757 9.280 1.00 1.00 H new ATOM 0 HD3 PRO A 16 -7.490 5.003 8.865 1.00 1.00 H new ATOM 218 N LEU A 17 -9.685 2.451 4.734 1.00 1.00 N ATOM 219 CA LEU A 17 -10.757 1.721 4.068 1.00 1.00 C ATOM 220 C LEU A 17 -10.435 0.237 4.045 1.00 1.00 C ATOM 221 O LEU A 17 -11.298 -0.608 4.288 1.00 1.00 O ATOM 222 CB LEU A 17 -10.890 2.202 2.623 1.00 1.00 C ATOM 223 CG LEU A 17 -11.269 3.683 2.592 1.00 1.00 C ATOM 224 CD1 LEU A 17 -11.248 4.169 1.140 1.00 1.00 C ATOM 225 CD2 LEU A 17 -12.673 3.893 3.191 1.00 1.00 C ATOM 0 H LEU A 17 -9.181 3.104 4.134 1.00 1.00 H new ATOM 0 HA LEU A 17 -11.686 1.896 4.612 1.00 1.00 H new ATOM 0 HB2 LEU A 17 -9.950 2.049 2.093 1.00 1.00 H new ATOM 0 HB3 LEU A 17 -11.648 1.614 2.105 1.00 1.00 H new ATOM 0 HG LEU A 17 -10.553 4.251 3.186 1.00 1.00 H new ATOM 0 HD11 LEU A 17 -11.517 5.225 1.106 1.00 1.00 H new ATOM 0 HD12 LEU A 17 -10.249 4.036 0.726 1.00 1.00 H new ATOM 0 HD13 LEU A 17 -11.964 3.593 0.553 1.00 1.00 H new ATOM 0 HD21 LEU A 17 -12.927 4.953 3.161 1.00 1.00 H new ATOM 0 HD22 LEU A 17 -13.404 3.328 2.612 1.00 1.00 H new ATOM 0 HD23 LEU A 17 -12.683 3.547 4.224 1.00 1.00 H new ATOM 237 N ALA A 18 -9.177 -0.065 3.737 1.00 1.00 N ATOM 238 CA ALA A 18 -8.713 -1.453 3.660 1.00 1.00 C ATOM 239 C ALA A 18 -7.321 -1.580 4.267 1.00 1.00 C ATOM 240 O ALA A 18 -6.519 -0.651 4.198 1.00 1.00 O ATOM 241 CB ALA A 18 -8.676 -1.904 2.198 1.00 1.00 C ATOM 0 H ALA A 18 -8.458 0.630 3.536 1.00 1.00 H new ATOM 0 HA ALA A 18 -9.402 -2.085 4.220 1.00 1.00 H new ATOM 0 HB1 ALA A 18 -8.331 -2.936 2.144 1.00 1.00 H new ATOM 0 HB2 ALA A 18 -9.676 -1.833 1.770 1.00 1.00 H new ATOM 0 HB3 ALA A 18 -7.995 -1.264 1.637 1.00 1.00 H new ATOM 247 N THR A 19 -7.039 -2.742 4.857 1.00 1.00 N ATOM 248 CA THR A 19 -5.735 -2.989 5.475 1.00 1.00 C ATOM 249 C THR A 19 -5.286 -4.421 5.222 1.00 1.00 C ATOM 250 O THR A 19 -6.044 -5.367 5.435 1.00 1.00 O ATOM 251 CB THR A 19 -5.808 -2.724 6.981 1.00 1.00 C ATOM 252 OG1 THR A 19 -4.642 -3.241 7.608 1.00 1.00 O ATOM 253 CG2 THR A 19 -7.049 -3.400 7.564 1.00 1.00 C ATOM 0 H THR A 19 -7.692 -3.523 4.920 1.00 1.00 H new ATOM 0 HA THR A 19 -5.007 -2.312 5.028 1.00 1.00 H new ATOM 0 HB THR A 19 -5.870 -1.650 7.158 1.00 1.00 H new ATOM 0 HG1 THR A 19 -4.686 -3.071 8.572 1.00 1.00 H new ATOM 0 HG21 THR A 19 -7.098 -3.209 8.636 1.00 1.00 H new ATOM 0 HG22 THR A 19 -7.941 -2.999 7.083 1.00 1.00 H new ATOM 0 HG23 THR A 19 -6.994 -4.474 7.389 1.00 1.00 H new ATOM 261 N VAL A 20 -4.044 -4.578 4.755 1.00 1.00 N ATOM 262 CA VAL A 20 -3.505 -5.906 4.463 1.00 1.00 C ATOM 263 C VAL A 20 -2.067 -6.024 4.953 1.00 1.00 C ATOM 264 O VAL A 20 -1.370 -5.024 5.117 1.00 1.00 O ATOM 265 CB VAL A 20 -3.552 -6.154 2.950 1.00 1.00 C ATOM 266 CG1 VAL A 20 -2.782 -7.438 2.602 1.00 1.00 C ATOM 267 CG2 VAL A 20 -5.014 -6.276 2.492 1.00 1.00 C ATOM 0 H VAL A 20 -3.399 -3.809 4.573 1.00 1.00 H new ATOM 0 HA VAL A 20 -4.111 -6.650 4.980 1.00 1.00 H new ATOM 0 HB VAL A 20 -3.084 -5.315 2.435 1.00 1.00 H new ATOM 0 HG11 VAL A 20 -2.821 -7.605 1.526 1.00 1.00 H new ATOM 0 HG12 VAL A 20 -1.743 -7.336 2.916 1.00 1.00 H new ATOM 0 HG13 VAL A 20 -3.235 -8.285 3.118 1.00 1.00 H new ATOM 0 HG21 VAL A 20 -5.045 -6.452 1.417 1.00 1.00 H new ATOM 0 HG22 VAL A 20 -5.489 -7.109 3.010 1.00 1.00 H new ATOM 0 HG23 VAL A 20 -5.546 -5.353 2.724 1.00 1.00 H new ATOM 277 N GLU A 21 -1.628 -7.265 5.162 1.00 1.00 N ATOM 278 CA GLU A 21 -0.263 -7.531 5.610 1.00 1.00 C ATOM 279 C GLU A 21 0.543 -8.118 4.459 1.00 1.00 C ATOM 280 O GLU A 21 0.174 -9.146 3.890 1.00 1.00 O ATOM 281 CB GLU A 21 -0.275 -8.517 6.780 1.00 1.00 C ATOM 282 CG GLU A 21 1.155 -8.718 7.292 1.00 1.00 C ATOM 283 CD GLU A 21 1.154 -9.650 8.497 1.00 1.00 C ATOM 284 OE1 GLU A 21 0.091 -9.871 9.051 1.00 1.00 O ATOM 285 OE2 GLU A 21 2.219 -10.130 8.848 1.00 1.00 O ATOM 0 H GLU A 21 -2.198 -8.100 5.028 1.00 1.00 H new ATOM 0 HA GLU A 21 0.192 -6.597 5.938 1.00 1.00 H new ATOM 0 HB2 GLU A 21 -0.910 -8.139 7.581 1.00 1.00 H new ATOM 0 HB3 GLU A 21 -0.696 -9.471 6.462 1.00 1.00 H new ATOM 0 HG2 GLU A 21 1.778 -9.135 6.500 1.00 1.00 H new ATOM 0 HG3 GLU A 21 1.590 -7.757 7.566 1.00 1.00 H new ATOM 292 N GLY A 22 1.647 -7.456 4.116 1.00 1.00 N ATOM 293 CA GLY A 22 2.508 -7.912 3.025 1.00 1.00 C ATOM 294 C GLY A 22 3.965 -7.919 3.453 1.00 1.00 C ATOM 295 O GLY A 22 4.277 -7.932 4.643 1.00 1.00 O ATOM 0 H GLY A 22 1.966 -6.604 4.577 1.00 1.00 H new ATOM 0 HA2 GLY A 22 2.211 -8.914 2.716 1.00 1.00 H new ATOM 0 HA3 GLY A 22 2.382 -7.261 2.160 1.00 1.00 H new ATOM 299 N MET A 23 4.863 -7.928 2.471 1.00 1.00 N ATOM 300 CA MET A 23 6.292 -7.950 2.743 1.00 1.00 C ATOM 301 C MET A 23 7.022 -6.971 1.831 1.00 1.00 C ATOM 302 O MET A 23 6.828 -6.974 0.617 1.00 1.00 O ATOM 303 CB MET A 23 6.816 -9.362 2.508 1.00 1.00 C ATOM 304 CG MET A 23 5.952 -10.351 3.295 1.00 1.00 C ATOM 305 SD MET A 23 6.560 -12.033 3.032 1.00 1.00 S ATOM 306 CE MET A 23 8.175 -11.807 3.814 1.00 1.00 C ATOM 0 H MET A 23 4.623 -7.920 1.480 1.00 1.00 H new ATOM 0 HA MET A 23 6.468 -7.654 3.777 1.00 1.00 H new ATOM 0 HB2 MET A 23 6.789 -9.602 1.445 1.00 1.00 H new ATOM 0 HB3 MET A 23 7.856 -9.435 2.825 1.00 1.00 H new ATOM 0 HG2 MET A 23 5.978 -10.106 4.357 1.00 1.00 H new ATOM 0 HG3 MET A 23 4.913 -10.275 2.975 1.00 1.00 H new ATOM 0 HE1 MET A 23 8.457 -12.721 4.337 1.00 1.00 H new ATOM 0 HE2 MET A 23 8.920 -11.580 3.051 1.00 1.00 H new ATOM 0 HE3 MET A 23 8.122 -10.983 4.526 1.00 1.00 H new ATOM 316 N GLU A 24 7.863 -6.135 2.428 1.00 1.00 N ATOM 317 CA GLU A 24 8.626 -5.146 1.670 1.00 1.00 C ATOM 318 C GLU A 24 9.998 -5.701 1.302 1.00 1.00 C ATOM 319 O GLU A 24 10.767 -6.104 2.174 1.00 1.00 O ATOM 320 CB GLU A 24 8.783 -3.873 2.511 1.00 1.00 C ATOM 321 CG GLU A 24 9.554 -2.813 1.721 1.00 1.00 C ATOM 322 CD GLU A 24 9.643 -1.526 2.534 1.00 1.00 C ATOM 323 OE1 GLU A 24 9.324 -1.569 3.712 1.00 1.00 O ATOM 324 OE2 GLU A 24 10.030 -0.516 1.969 1.00 1.00 O ATOM 0 H GLU A 24 8.035 -6.121 3.433 1.00 1.00 H new ATOM 0 HA GLU A 24 8.091 -4.911 0.750 1.00 1.00 H new ATOM 0 HB2 GLU A 24 7.802 -3.488 2.789 1.00 1.00 H new ATOM 0 HB3 GLU A 24 9.310 -4.102 3.437 1.00 1.00 H new ATOM 0 HG2 GLU A 24 10.555 -3.177 1.488 1.00 1.00 H new ATOM 0 HG3 GLU A 24 9.055 -2.620 0.771 1.00 1.00 H new ATOM 331 N MET A 25 10.299 -5.720 0.002 1.00 1.00 N ATOM 332 CA MET A 25 11.586 -6.229 -0.480 1.00 1.00 C ATOM 333 C MET A 25 12.414 -5.101 -1.086 1.00 1.00 C ATOM 334 O MET A 25 11.898 -4.262 -1.822 1.00 1.00 O ATOM 335 CB MET A 25 11.360 -7.320 -1.541 1.00 1.00 C ATOM 336 CG MET A 25 10.175 -8.203 -1.147 1.00 1.00 C ATOM 337 SD MET A 25 8.628 -7.369 -1.567 1.00 1.00 S ATOM 338 CE MET A 25 8.522 -7.959 -3.274 1.00 1.00 C ATOM 0 H MET A 25 9.673 -5.391 -0.733 1.00 1.00 H new ATOM 0 HA MET A 25 12.125 -6.652 0.368 1.00 1.00 H new ATOM 0 HB2 MET A 25 11.173 -6.860 -2.512 1.00 1.00 H new ATOM 0 HB3 MET A 25 12.258 -7.929 -1.644 1.00 1.00 H new ATOM 0 HG2 MET A 25 10.235 -9.161 -1.664 1.00 1.00 H new ATOM 0 HG3 MET A 25 10.207 -8.415 -0.078 1.00 1.00 H new ATOM 0 HE1 MET A 25 7.661 -7.504 -3.764 1.00 1.00 H new ATOM 0 HE2 MET A 25 9.431 -7.686 -3.810 1.00 1.00 H new ATOM 0 HE3 MET A 25 8.410 -9.043 -3.278 1.00 1.00 H new ATOM 348 N LYS A 26 13.708 -5.096 -0.780 1.00 1.00 N ATOM 349 CA LYS A 26 14.619 -4.081 -1.310 1.00 1.00 C ATOM 350 C LYS A 26 15.955 -4.717 -1.670 1.00 1.00 C ATOM 351 O LYS A 26 16.381 -5.691 -1.047 1.00 1.00 O ATOM 352 CB LYS A 26 14.836 -2.963 -0.288 1.00 1.00 C ATOM 353 CG LYS A 26 13.528 -2.193 -0.086 1.00 1.00 C ATOM 354 CD LYS A 26 13.740 -1.034 0.900 1.00 1.00 C ATOM 355 CE LYS A 26 13.859 -1.560 2.336 1.00 1.00 C ATOM 356 NZ LYS A 26 13.754 -0.417 3.284 1.00 1.00 N ATOM 0 H LYS A 26 14.151 -5.782 -0.169 1.00 1.00 H new ATOM 0 HA LYS A 26 14.171 -3.651 -2.206 1.00 1.00 H new ATOM 0 HB2 LYS A 26 15.173 -3.383 0.660 1.00 1.00 H new ATOM 0 HB3 LYS A 26 15.618 -2.287 -0.633 1.00 1.00 H new ATOM 0 HG2 LYS A 26 13.174 -1.807 -1.042 1.00 1.00 H new ATOM 0 HG3 LYS A 26 12.757 -2.865 0.292 1.00 1.00 H new ATOM 0 HD2 LYS A 26 14.642 -0.483 0.633 1.00 1.00 H new ATOM 0 HD3 LYS A 26 12.907 -0.334 0.831 1.00 1.00 H new ATOM 0 HE2 LYS A 26 13.073 -2.288 2.536 1.00 1.00 H new ATOM 0 HE3 LYS A 26 14.811 -2.074 2.471 1.00 1.00 H new ATOM 0 HZ1 LYS A 26 13.834 -0.767 4.260 1.00 1.00 H new ATOM 0 HZ2 LYS A 26 14.519 0.262 3.096 1.00 1.00 H new ATOM 0 HZ3 LYS A 26 12.835 0.054 3.159 1.00 1.00 H new ATOM 370 N GLY A 27 16.608 -4.159 -2.678 1.00 1.00 N ATOM 371 CA GLY A 27 17.898 -4.661 -3.134 1.00 1.00 C ATOM 372 C GLY A 27 18.771 -5.176 -1.986 1.00 1.00 C ATOM 373 O GLY A 27 19.093 -6.364 -1.930 1.00 1.00 O ATOM 0 H GLY A 27 16.264 -3.353 -3.200 1.00 1.00 H new ATOM 0 HA2 GLY A 27 17.737 -5.465 -3.852 1.00 1.00 H new ATOM 0 HA3 GLY A 27 18.427 -3.866 -3.659 1.00 1.00 H new ATOM 377 N PRO A 28 19.184 -4.308 -1.093 1.00 1.00 N ATOM 378 CA PRO A 28 20.072 -4.685 0.056 1.00 1.00 C ATOM 379 C PRO A 28 19.456 -5.740 0.988 1.00 1.00 C ATOM 380 O PRO A 28 20.177 -6.559 1.556 1.00 1.00 O ATOM 381 CB PRO A 28 20.318 -3.346 0.784 1.00 1.00 C ATOM 382 CG PRO A 28 19.196 -2.454 0.354 1.00 1.00 C ATOM 383 CD PRO A 28 18.851 -2.875 -1.072 1.00 1.00 C ATOM 0 HA PRO A 28 20.990 -5.161 -0.288 1.00 1.00 H new ATOM 0 HB2 PRO A 28 20.322 -3.481 1.866 1.00 1.00 H new ATOM 0 HB3 PRO A 28 21.285 -2.922 0.512 1.00 1.00 H new ATOM 0 HG2 PRO A 28 18.335 -2.564 1.013 1.00 1.00 H new ATOM 0 HG3 PRO A 28 19.494 -1.406 0.391 1.00 1.00 H new ATOM 0 HD2 PRO A 28 17.799 -2.703 -1.298 1.00 1.00 H new ATOM 0 HD3 PRO A 28 19.430 -2.317 -1.807 1.00 1.00 H new ATOM 391 N LEU A 29 18.130 -5.723 1.142 1.00 1.00 N ATOM 392 CA LEU A 29 17.460 -6.699 2.012 1.00 1.00 C ATOM 393 C LEU A 29 15.951 -6.467 2.029 1.00 1.00 C ATOM 394 O LEU A 29 15.459 -5.533 1.406 1.00 1.00 O ATOM 395 CB LEU A 29 18.008 -6.621 3.449 1.00 1.00 C ATOM 396 CG LEU A 29 18.160 -5.159 3.906 1.00 1.00 C ATOM 397 CD1 LEU A 29 16.794 -4.456 3.923 1.00 1.00 C ATOM 398 CD2 LEU A 29 18.760 -5.142 5.315 1.00 1.00 C ATOM 0 H LEU A 29 17.506 -5.058 0.686 1.00 1.00 H new ATOM 0 HA LEU A 29 17.662 -7.691 1.609 1.00 1.00 H new ATOM 0 HB2 LEU A 29 17.337 -7.149 4.126 1.00 1.00 H new ATOM 0 HB3 LEU A 29 18.974 -7.124 3.501 1.00 1.00 H new ATOM 0 HG LEU A 29 18.813 -4.632 3.211 1.00 1.00 H new ATOM 0 HD11 LEU A 29 16.920 -3.423 4.248 1.00 1.00 H new ATOM 0 HD12 LEU A 29 16.365 -4.471 2.921 1.00 1.00 H new ATOM 0 HD13 LEU A 29 16.127 -4.974 4.611 1.00 1.00 H new ATOM 0 HD21 LEU A 29 18.873 -4.111 5.650 1.00 1.00 H new ATOM 0 HD22 LEU A 29 18.099 -5.675 5.998 1.00 1.00 H new ATOM 0 HD23 LEU A 29 19.736 -5.628 5.301 1.00 1.00 H new ATOM 410 N ARG A 30 15.215 -7.323 2.747 1.00 1.00 N ATOM 411 CA ARG A 30 13.758 -7.196 2.838 1.00 1.00 C ATOM 412 C ARG A 30 13.313 -7.105 4.292 1.00 1.00 C ATOM 413 O ARG A 30 14.101 -7.335 5.210 1.00 1.00 O ATOM 414 CB ARG A 30 13.072 -8.384 2.158 1.00 1.00 C ATOM 415 CG ARG A 30 13.368 -9.684 2.914 1.00 1.00 C ATOM 416 CD ARG A 30 12.651 -10.827 2.206 1.00 1.00 C ATOM 417 NE ARG A 30 12.894 -12.088 2.896 1.00 1.00 N ATOM 418 CZ ARG A 30 12.261 -13.202 2.540 1.00 1.00 C ATOM 419 NH1 ARG A 30 11.358 -13.173 1.599 1.00 1.00 N ATOM 420 NH2 ARG A 30 12.535 -14.327 3.144 1.00 1.00 N ATOM 0 H ARG A 30 15.603 -8.107 3.271 1.00 1.00 H new ATOM 0 HA ARG A 30 13.468 -6.279 2.326 1.00 1.00 H new ATOM 0 HB2 ARG A 30 11.996 -8.216 2.120 1.00 1.00 H new ATOM 0 HB3 ARG A 30 13.418 -8.469 1.128 1.00 1.00 H new ATOM 0 HG2 ARG A 30 14.442 -9.870 2.943 1.00 1.00 H new ATOM 0 HG3 ARG A 30 13.030 -9.607 3.947 1.00 1.00 H new ATOM 0 HD2 ARG A 30 11.580 -10.626 2.170 1.00 1.00 H new ATOM 0 HD3 ARG A 30 12.997 -10.898 1.175 1.00 1.00 H new ATOM 0 HE ARG A 30 13.562 -12.116 3.666 1.00 1.00 H new ATOM 0 HH11 ARG A 30 11.135 -12.293 1.133 1.00 1.00 H new ATOM 0 HH12 ARG A 30 10.875 -14.030 1.329 1.00 1.00 H new ATOM 0 HH21 ARG A 30 13.233 -14.350 3.887 1.00 1.00 H new ATOM 0 HH22 ARG A 30 12.051 -15.183 2.873 1.00 1.00 H new ATOM 434 N GLU A 31 12.047 -6.767 4.487 1.00 1.00 N ATOM 435 CA GLU A 31 11.491 -6.640 5.829 1.00 1.00 C ATOM 436 C GLU A 31 9.967 -6.746 5.766 1.00 1.00 C ATOM 437 O GLU A 31 9.359 -6.249 4.821 1.00 1.00 O ATOM 438 CB GLU A 31 11.883 -5.282 6.418 1.00 1.00 C ATOM 439 CG GLU A 31 11.235 -4.171 5.586 1.00 1.00 C ATOM 440 CD GLU A 31 11.832 -2.817 5.953 1.00 1.00 C ATOM 441 OE1 GLU A 31 13.014 -2.772 6.254 1.00 1.00 O ATOM 442 OE2 GLU A 31 11.098 -1.843 5.925 1.00 1.00 O ATOM 0 H GLU A 31 11.385 -6.576 3.735 1.00 1.00 H new ATOM 0 HA GLU A 31 11.884 -7.438 6.459 1.00 1.00 H new ATOM 0 HB2 GLU A 31 11.557 -5.214 7.456 1.00 1.00 H new ATOM 0 HB3 GLU A 31 12.967 -5.170 6.416 1.00 1.00 H new ATOM 0 HG2 GLU A 31 11.387 -4.367 4.525 1.00 1.00 H new ATOM 0 HG3 GLU A 31 10.159 -4.160 5.758 1.00 1.00 H new ATOM 449 N PRO A 32 9.326 -7.364 6.732 1.00 1.00 N ATOM 450 CA PRO A 32 7.843 -7.492 6.719 1.00 1.00 C ATOM 451 C PRO A 32 7.177 -6.121 6.788 1.00 1.00 C ATOM 452 O PRO A 32 7.656 -5.218 7.475 1.00 1.00 O ATOM 453 CB PRO A 32 7.526 -8.355 7.954 1.00 1.00 C ATOM 454 CG PRO A 32 8.719 -8.210 8.847 1.00 1.00 C ATOM 455 CD PRO A 32 9.920 -7.992 7.926 1.00 1.00 C ATOM 0 HA PRO A 32 7.464 -7.946 5.803 1.00 1.00 H new ATOM 0 HB2 PRO A 32 6.618 -8.014 8.451 1.00 1.00 H new ATOM 0 HB3 PRO A 32 7.365 -9.397 7.676 1.00 1.00 H new ATOM 0 HG2 PRO A 32 8.594 -7.369 9.529 1.00 1.00 H new ATOM 0 HG3 PRO A 32 8.856 -9.100 9.461 1.00 1.00 H new ATOM 0 HD2 PRO A 32 10.669 -7.349 8.388 1.00 1.00 H new ATOM 0 HD3 PRO A 32 10.415 -8.932 7.681 1.00 1.00 H new ATOM 463 N CYS A 33 6.082 -5.968 6.055 1.00 1.00 N ATOM 464 CA CYS A 33 5.360 -4.701 6.016 1.00 1.00 C ATOM 465 C CYS A 33 3.870 -4.945 5.828 1.00 1.00 C ATOM 466 O CYS A 33 3.415 -6.087 5.809 1.00 1.00 O ATOM 467 CB CYS A 33 5.888 -3.853 4.857 1.00 1.00 C ATOM 468 SG CYS A 33 5.415 -4.618 3.287 1.00 1.00 S ATOM 0 H CYS A 33 5.674 -6.704 5.479 1.00 1.00 H new ATOM 0 HA CYS A 33 5.514 -4.177 6.959 1.00 1.00 H new ATOM 0 HB2 CYS A 33 5.484 -2.842 4.918 1.00 1.00 H new ATOM 0 HB3 CYS A 33 6.973 -3.767 4.920 1.00 1.00 H new ATOM 0 HG CYS A 33 4.863 -3.726 2.519 1.00 1.00 H new ATOM 474 N ALA A 34 3.110 -3.865 5.688 1.00 1.00 N ATOM 475 CA ALA A 34 1.667 -3.971 5.494 1.00 1.00 C ATOM 476 C ALA A 34 1.165 -2.791 4.671 1.00 1.00 C ATOM 477 O ALA A 34 1.560 -1.648 4.902 1.00 1.00 O ATOM 478 CB ALA A 34 0.957 -4.003 6.850 1.00 1.00 C ATOM 0 H ALA A 34 3.466 -2.909 5.705 1.00 1.00 H new ATOM 0 HA ALA A 34 1.449 -4.895 4.959 1.00 1.00 H new ATOM 0 HB1 ALA A 34 -0.119 -4.082 6.695 1.00 1.00 H new ATOM 0 HB2 ALA A 34 1.306 -4.862 7.423 1.00 1.00 H new ATOM 0 HB3 ALA A 34 1.178 -3.087 7.398 1.00 1.00 H new ATOM 484 N LEU A 35 0.292 -3.076 3.707 1.00 1.00 N ATOM 485 CA LEU A 35 -0.262 -2.032 2.845 1.00 1.00 C ATOM 486 C LEU A 35 -1.653 -1.648 3.322 1.00 1.00 C ATOM 487 O LEU A 35 -2.529 -2.503 3.454 1.00 1.00 O ATOM 488 CB LEU A 35 -0.342 -2.538 1.404 1.00 1.00 C ATOM 489 CG LEU A 35 1.027 -3.069 0.956 1.00 1.00 C ATOM 490 CD1 LEU A 35 0.925 -3.598 -0.480 1.00 1.00 C ATOM 491 CD2 LEU A 35 2.072 -1.944 1.024 1.00 1.00 C ATOM 0 H LEU A 35 -0.046 -4.016 3.503 1.00 1.00 H new ATOM 0 HA LEU A 35 0.388 -1.158 2.888 1.00 1.00 H new ATOM 0 HB2 LEU A 35 -1.090 -3.327 1.328 1.00 1.00 H new ATOM 0 HB3 LEU A 35 -0.662 -1.732 0.744 1.00 1.00 H new ATOM 0 HG LEU A 35 1.334 -3.878 1.619 1.00 1.00 H new ATOM 0 HD11 LEU A 35 1.897 -3.975 -0.799 1.00 1.00 H new ATOM 0 HD12 LEU A 35 0.192 -4.404 -0.520 1.00 1.00 H new ATOM 0 HD13 LEU A 35 0.613 -2.791 -1.144 1.00 1.00 H new ATOM 0 HD21 LEU A 35 3.041 -2.328 0.705 1.00 1.00 H new ATOM 0 HD22 LEU A 35 1.771 -1.128 0.368 1.00 1.00 H new ATOM 0 HD23 LEU A 35 2.146 -1.578 2.048 1.00 1.00 H new ATOM 503 N THR A 36 -1.852 -0.355 3.591 1.00 1.00 N ATOM 504 CA THR A 36 -3.146 0.132 4.069 1.00 1.00 C ATOM 505 C THR A 36 -3.646 1.297 3.229 1.00 1.00 C ATOM 506 O THR A 36 -2.952 2.295 3.050 1.00 1.00 O ATOM 507 CB THR A 36 -3.024 0.570 5.529 1.00 1.00 C ATOM 508 OG1 THR A 36 -2.584 -0.531 6.312 1.00 1.00 O ATOM 509 CG2 THR A 36 -4.383 1.049 6.040 1.00 1.00 C ATOM 0 H THR A 36 -1.139 0.367 3.487 1.00 1.00 H new ATOM 0 HA THR A 36 -3.865 -0.682 3.983 1.00 1.00 H new ATOM 0 HB THR A 36 -2.305 1.386 5.605 1.00 1.00 H new ATOM 0 HG1 THR A 36 -2.939 -0.448 7.222 1.00 1.00 H new ATOM 0 HG21 THR A 36 -4.291 1.360 7.081 1.00 1.00 H new ATOM 0 HG22 THR A 36 -4.722 1.892 5.438 1.00 1.00 H new ATOM 0 HG23 THR A 36 -5.106 0.237 5.966 1.00 1.00 H new ATOM 517 N LEU A 37 -4.873 1.163 2.735 1.00 1.00 N ATOM 518 CA LEU A 37 -5.497 2.209 1.931 1.00 1.00 C ATOM 519 C LEU A 37 -6.379 3.059 2.829 1.00 1.00 C ATOM 520 O LEU A 37 -7.237 2.534 3.539 1.00 1.00 O ATOM 521 CB LEU A 37 -6.339 1.575 0.819 1.00 1.00 C ATOM 522 CG LEU A 37 -7.076 2.660 0.015 1.00 1.00 C ATOM 523 CD1 LEU A 37 -6.074 3.679 -0.551 1.00 1.00 C ATOM 524 CD2 LEU A 37 -7.852 1.997 -1.132 1.00 1.00 C ATOM 0 H LEU A 37 -5.456 0.338 2.878 1.00 1.00 H new ATOM 0 HA LEU A 37 -4.728 2.833 1.476 1.00 1.00 H new ATOM 0 HB2 LEU A 37 -5.698 0.995 0.155 1.00 1.00 H new ATOM 0 HB3 LEU A 37 -7.060 0.882 1.252 1.00 1.00 H new ATOM 0 HG LEU A 37 -7.769 3.185 0.672 1.00 1.00 H new ATOM 0 HD11 LEU A 37 -6.610 4.440 -1.117 1.00 1.00 H new ATOM 0 HD12 LEU A 37 -5.532 4.151 0.269 1.00 1.00 H new ATOM 0 HD13 LEU A 37 -5.368 3.169 -1.206 1.00 1.00 H new ATOM 0 HD21 LEU A 37 -8.377 2.761 -1.706 1.00 1.00 H new ATOM 0 HD22 LEU A 37 -7.157 1.468 -1.783 1.00 1.00 H new ATOM 0 HD23 LEU A 37 -8.574 1.291 -0.722 1.00 1.00 H new ATOM 536 N ALA A 38 -6.163 4.371 2.813 1.00 1.00 N ATOM 537 CA ALA A 38 -6.949 5.273 3.655 1.00 1.00 C ATOM 538 C ALA A 38 -7.337 6.540 2.904 1.00 1.00 C ATOM 539 O ALA A 38 -6.638 6.976 1.992 1.00 1.00 O ATOM 540 CB ALA A 38 -6.146 5.636 4.908 1.00 1.00 C ATOM 0 H ALA A 38 -5.460 4.831 2.235 1.00 1.00 H new ATOM 0 HA ALA A 38 -7.867 4.759 3.940 1.00 1.00 H new ATOM 0 HB1 ALA A 38 -6.733 6.308 5.534 1.00 1.00 H new ATOM 0 HB2 ALA A 38 -5.914 4.729 5.467 1.00 1.00 H new ATOM 0 HB3 ALA A 38 -5.219 6.129 4.616 1.00 1.00 H new ATOM 546 N GLN A 39 -8.465 7.129 3.308 1.00 1.00 N ATOM 547 CA GLN A 39 -8.969 8.358 2.692 1.00 1.00 C ATOM 548 C GLN A 39 -8.925 9.498 3.708 1.00 1.00 C ATOM 549 O GLN A 39 -9.575 9.432 4.748 1.00 1.00 O ATOM 550 CB GLN A 39 -10.412 8.141 2.221 1.00 1.00 C ATOM 551 CG GLN A 39 -10.984 9.447 1.641 1.00 1.00 C ATOM 552 CD GLN A 39 -11.519 10.340 2.759 1.00 1.00 C ATOM 553 OE1 GLN A 39 -10.923 11.369 3.072 1.00 1.00 O ATOM 554 NE2 GLN A 39 -12.619 10.005 3.378 1.00 1.00 N ATOM 0 H GLN A 39 -9.049 6.772 4.064 1.00 1.00 H new ATOM 0 HA GLN A 39 -8.345 8.616 1.836 1.00 1.00 H new ATOM 0 HB2 GLN A 39 -10.442 7.356 1.466 1.00 1.00 H new ATOM 0 HB3 GLN A 39 -11.028 7.805 3.055 1.00 1.00 H new ATOM 0 HG2 GLN A 39 -10.209 9.975 1.085 1.00 1.00 H new ATOM 0 HG3 GLN A 39 -11.783 9.219 0.936 1.00 1.00 H new ATOM 0 HE21 GLN A 39 -13.112 9.151 3.116 1.00 1.00 H new ATOM 0 HE22 GLN A 39 -12.986 10.597 4.123 1.00 1.00 H new ATOM 563 N ARG A 40 -8.147 10.541 3.407 1.00 1.00 N ATOM 564 CA ARG A 40 -8.024 11.685 4.317 1.00 1.00 C ATOM 565 C ARG A 40 -8.230 12.999 3.570 1.00 1.00 C ATOM 566 O ARG A 40 -7.735 13.177 2.458 1.00 1.00 O ATOM 567 CB ARG A 40 -6.647 11.671 4.985 1.00 1.00 C ATOM 568 CG ARG A 40 -6.565 12.803 6.011 1.00 1.00 C ATOM 569 CD ARG A 40 -5.275 12.667 6.826 1.00 1.00 C ATOM 570 NE ARG A 40 -4.108 12.889 5.981 1.00 1.00 N ATOM 571 CZ ARG A 40 -2.876 12.717 6.453 1.00 1.00 C ATOM 572 NH1 ARG A 40 -2.698 12.329 7.686 1.00 1.00 N ATOM 573 NH2 ARG A 40 -1.845 12.936 5.683 1.00 1.00 N ATOM 0 H ARG A 40 -7.598 10.618 2.551 1.00 1.00 H new ATOM 0 HA ARG A 40 -8.797 11.603 5.081 1.00 1.00 H new ATOM 0 HB2 ARG A 40 -6.478 10.711 5.473 1.00 1.00 H new ATOM 0 HB3 ARG A 40 -5.866 11.789 4.234 1.00 1.00 H new ATOM 0 HG2 ARG A 40 -6.587 13.768 5.505 1.00 1.00 H new ATOM 0 HG3 ARG A 40 -7.430 12.770 6.673 1.00 1.00 H new ATOM 0 HD2 ARG A 40 -5.279 13.385 7.646 1.00 1.00 H new ATOM 0 HD3 ARG A 40 -5.224 11.674 7.273 1.00 1.00 H new ATOM 0 HE ARG A 40 -4.238 13.181 5.012 1.00 1.00 H new ATOM 0 HH11 ARG A 40 -3.503 12.158 8.288 1.00 1.00 H new ATOM 0 HH12 ARG A 40 -1.754 12.197 8.048 1.00 1.00 H new ATOM 0 HH21 ARG A 40 -1.984 13.239 4.719 1.00 1.00 H new ATOM 0 HH22 ARG A 40 -0.901 12.804 6.045 1.00 1.00 H new ATOM 587 N ASN A 41 -8.973 13.905 4.201 1.00 1.00 N ATOM 588 CA ASN A 41 -9.264 15.214 3.620 1.00 1.00 C ATOM 589 C ASN A 41 -9.985 15.081 2.282 1.00 1.00 C ATOM 590 O ASN A 41 -9.799 15.906 1.386 1.00 1.00 O ATOM 591 CB ASN A 41 -7.970 16.011 3.429 1.00 1.00 C ATOM 592 CG ASN A 41 -7.423 16.444 4.785 1.00 1.00 C ATOM 593 OD1 ASN A 41 -8.152 16.444 5.777 1.00 1.00 O ATOM 594 ND2 ASN A 41 -6.177 16.815 4.889 1.00 1.00 N ATOM 0 H ASN A 41 -9.387 13.755 5.121 1.00 1.00 H new ATOM 0 HA ASN A 41 -9.919 15.744 4.312 1.00 1.00 H new ATOM 0 HB2 ASN A 41 -7.232 15.403 2.907 1.00 1.00 H new ATOM 0 HB3 ASN A 41 -8.160 16.886 2.807 1.00 1.00 H new ATOM 0 HD21 ASN A 41 -5.805 17.106 5.793 1.00 1.00 H new ATOM 0 HD22 ASN A 41 -5.574 16.814 4.066 1.00 1.00 H new ATOM 601 N GLY A 42 -10.817 14.054 2.151 1.00 1.00 N ATOM 602 CA GLY A 42 -11.564 13.851 0.912 1.00 1.00 C ATOM 603 C GLY A 42 -10.638 13.426 -0.218 1.00 1.00 C ATOM 604 O GLY A 42 -10.954 13.600 -1.395 1.00 1.00 O ATOM 0 H GLY A 42 -10.991 13.357 2.875 1.00 1.00 H new ATOM 0 HA2 GLY A 42 -12.330 13.091 1.065 1.00 1.00 H new ATOM 0 HA3 GLY A 42 -12.079 14.772 0.638 1.00 1.00 H new ATOM 608 N GLN A 43 -9.485 12.871 0.150 1.00 1.00 N ATOM 609 CA GLN A 43 -8.496 12.420 -0.824 1.00 1.00 C ATOM 610 C GLN A 43 -8.045 11.003 -0.488 1.00 1.00 C ATOM 611 O GLN A 43 -7.981 10.627 0.677 1.00 1.00 O ATOM 612 CB GLN A 43 -7.299 13.384 -0.791 1.00 1.00 C ATOM 613 CG GLN A 43 -6.102 12.784 -1.537 1.00 1.00 C ATOM 614 CD GLN A 43 -6.531 12.313 -2.923 1.00 1.00 C ATOM 615 OE1 GLN A 43 -6.253 11.176 -3.307 1.00 1.00 O ATOM 616 NE2 GLN A 43 -7.199 13.121 -3.700 1.00 1.00 N ATOM 0 H GLN A 43 -9.213 12.723 1.122 1.00 1.00 H new ATOM 0 HA GLN A 43 -8.932 12.413 -1.823 1.00 1.00 H new ATOM 0 HB2 GLN A 43 -7.578 14.335 -1.245 1.00 1.00 H new ATOM 0 HB3 GLN A 43 -7.022 13.594 0.242 1.00 1.00 H new ATOM 0 HG2 GLN A 43 -5.309 13.527 -1.626 1.00 1.00 H new ATOM 0 HG3 GLN A 43 -5.693 11.948 -0.971 1.00 1.00 H new ATOM 0 HE21 GLN A 43 -7.428 14.062 -3.381 1.00 1.00 H new ATOM 0 HE22 GLN A 43 -7.492 12.811 -4.627 1.00 1.00 H new ATOM 625 N TYR A 44 -7.718 10.225 -1.515 1.00 1.00 N ATOM 626 CA TYR A 44 -7.259 8.855 -1.307 1.00 1.00 C ATOM 627 C TYR A 44 -5.746 8.837 -1.118 1.00 1.00 C ATOM 628 O TYR A 44 -5.009 9.470 -1.873 1.00 1.00 O ATOM 629 CB TYR A 44 -7.631 7.988 -2.512 1.00 1.00 C ATOM 630 CG TYR A 44 -9.126 7.769 -2.542 1.00 1.00 C ATOM 631 CD1 TYR A 44 -9.968 8.755 -3.073 1.00 1.00 C ATOM 632 CD2 TYR A 44 -9.670 6.578 -2.046 1.00 1.00 C ATOM 633 CE1 TYR A 44 -11.353 8.551 -3.104 1.00 1.00 C ATOM 634 CE2 TYR A 44 -11.056 6.373 -2.078 1.00 1.00 C ATOM 635 CZ TYR A 44 -11.896 7.360 -2.608 1.00 1.00 C ATOM 636 OH TYR A 44 -13.261 7.158 -2.640 1.00 1.00 O ATOM 0 H TYR A 44 -7.761 10.516 -2.492 1.00 1.00 H new ATOM 0 HA TYR A 44 -7.741 8.456 -0.414 1.00 1.00 H new ATOM 0 HB2 TYR A 44 -7.306 8.471 -3.434 1.00 1.00 H new ATOM 0 HB3 TYR A 44 -7.115 7.030 -2.456 1.00 1.00 H new ATOM 0 HD1 TYR A 44 -9.549 9.673 -3.458 1.00 1.00 H new ATOM 0 HD2 TYR A 44 -9.021 5.817 -1.639 1.00 1.00 H new ATOM 0 HE1 TYR A 44 -12.002 9.312 -3.511 1.00 1.00 H new ATOM 0 HE2 TYR A 44 -11.476 5.455 -1.694 1.00 1.00 H new ATOM 0 HH TYR A 44 -13.471 6.280 -2.258 1.00 1.00 H new ATOM 646 N GLU A 45 -5.284 8.102 -0.107 1.00 1.00 N ATOM 647 CA GLU A 45 -3.852 8.000 0.170 1.00 1.00 C ATOM 648 C GLU A 45 -3.510 6.591 0.649 1.00 1.00 C ATOM 649 O GLU A 45 -4.270 5.981 1.401 1.00 1.00 O ATOM 650 CB GLU A 45 -3.434 9.041 1.220 1.00 1.00 C ATOM 651 CG GLU A 45 -4.066 8.726 2.579 1.00 1.00 C ATOM 652 CD GLU A 45 -3.679 9.804 3.587 1.00 1.00 C ATOM 653 OE1 GLU A 45 -2.844 10.628 3.252 1.00 1.00 O ATOM 654 OE2 GLU A 45 -4.221 9.787 4.680 1.00 1.00 O ATOM 0 H GLU A 45 -5.877 7.571 0.531 1.00 1.00 H new ATOM 0 HA GLU A 45 -3.302 8.200 -0.749 1.00 1.00 H new ATOM 0 HB2 GLU A 45 -2.348 9.054 1.313 1.00 1.00 H new ATOM 0 HB3 GLU A 45 -3.738 10.036 0.894 1.00 1.00 H new ATOM 0 HG2 GLU A 45 -5.151 8.676 2.484 1.00 1.00 H new ATOM 0 HG3 GLU A 45 -3.731 7.750 2.929 1.00 1.00 H new ATOM 661 N LEU A 46 -2.368 6.080 0.199 1.00 1.00 N ATOM 662 CA LEU A 46 -1.926 4.737 0.571 1.00 1.00 C ATOM 663 C LEU A 46 -0.798 4.831 1.598 1.00 1.00 C ATOM 664 O LEU A 46 0.256 5.406 1.322 1.00 1.00 O ATOM 665 CB LEU A 46 -1.425 4.009 -0.686 1.00 1.00 C ATOM 666 CG LEU A 46 -1.396 2.491 -0.463 1.00 1.00 C ATOM 667 CD1 LEU A 46 -1.008 1.808 -1.777 1.00 1.00 C ATOM 668 CD2 LEU A 46 -0.372 2.128 0.628 1.00 1.00 C ATOM 0 H LEU A 46 -1.730 6.575 -0.424 1.00 1.00 H new ATOM 0 HA LEU A 46 -2.758 4.184 1.008 1.00 1.00 H new ATOM 0 HB2 LEU A 46 -2.073 4.244 -1.530 1.00 1.00 H new ATOM 0 HB3 LEU A 46 -0.426 4.362 -0.942 1.00 1.00 H new ATOM 0 HG LEU A 46 -2.381 2.154 -0.140 1.00 1.00 H new ATOM 0 HD11 LEU A 46 -0.984 0.728 -1.632 1.00 1.00 H new ATOM 0 HD12 LEU A 46 -1.741 2.055 -2.545 1.00 1.00 H new ATOM 0 HD13 LEU A 46 -0.023 2.154 -2.090 1.00 1.00 H new ATOM 0 HD21 LEU A 46 -0.364 1.048 0.774 1.00 1.00 H new ATOM 0 HD22 LEU A 46 0.620 2.460 0.321 1.00 1.00 H new ATOM 0 HD23 LEU A 46 -0.646 2.618 1.562 1.00 1.00 H new ATOM 680 N ILE A 47 -1.022 4.256 2.778 1.00 1.00 N ATOM 681 CA ILE A 47 -0.017 4.271 3.841 1.00 1.00 C ATOM 682 C ILE A 47 0.691 2.925 3.909 1.00 1.00 C ATOM 683 O ILE A 47 0.049 1.878 4.001 1.00 1.00 O ATOM 684 CB ILE A 47 -0.680 4.538 5.193 1.00 1.00 C ATOM 685 CG1 ILE A 47 -1.426 5.876 5.153 1.00 1.00 C ATOM 686 CG2 ILE A 47 0.397 4.589 6.282 1.00 1.00 C ATOM 687 CD1 ILE A 47 -2.283 6.022 6.414 1.00 1.00 C ATOM 0 H ILE A 47 -1.888 3.775 3.023 1.00 1.00 H new ATOM 0 HA ILE A 47 0.702 5.060 3.619 1.00 1.00 H new ATOM 0 HB ILE A 47 -1.389 3.739 5.411 1.00 1.00 H new ATOM 0 HG12 ILE A 47 -0.715 6.699 5.087 1.00 1.00 H new ATOM 0 HG13 ILE A 47 -2.056 5.927 4.265 1.00 1.00 H new ATOM 0 HG21 ILE A 47 -0.071 4.779 7.248 1.00 1.00 H new ATOM 0 HG22 ILE A 47 0.925 3.636 6.316 1.00 1.00 H new ATOM 0 HG23 ILE A 47 1.104 5.388 6.058 1.00 1.00 H new ATOM 0 HD11 ILE A 47 -2.813 6.974 6.385 1.00 1.00 H new ATOM 0 HD12 ILE A 47 -3.004 5.206 6.460 1.00 1.00 H new ATOM 0 HD13 ILE A 47 -1.642 5.990 7.295 1.00 1.00 H new ATOM 699 N ILE A 48 2.022 2.954 3.874 1.00 1.00 N ATOM 700 CA ILE A 48 2.814 1.729 3.946 1.00 1.00 C ATOM 701 C ILE A 48 3.426 1.592 5.334 1.00 1.00 C ATOM 702 O ILE A 48 4.231 2.424 5.752 1.00 1.00 O ATOM 703 CB ILE A 48 3.927 1.769 2.899 1.00 1.00 C ATOM 704 CG1 ILE A 48 3.309 1.950 1.511 1.00 1.00 C ATOM 705 CG2 ILE A 48 4.713 0.457 2.939 1.00 1.00 C ATOM 706 CD1 ILE A 48 4.406 2.282 0.499 1.00 1.00 C ATOM 0 H ILE A 48 2.572 3.809 3.797 1.00 1.00 H new ATOM 0 HA ILE A 48 2.166 0.875 3.751 1.00 1.00 H new ATOM 0 HB ILE A 48 4.599 2.601 3.112 1.00 1.00 H new ATOM 0 HG12 ILE A 48 2.788 1.040 1.212 1.00 1.00 H new ATOM 0 HG13 ILE A 48 2.568 2.749 1.534 1.00 1.00 H new ATOM 0 HG21 ILE A 48 5.507 0.485 2.192 1.00 1.00 H new ATOM 0 HG22 ILE A 48 5.150 0.325 3.929 1.00 1.00 H new ATOM 0 HG23 ILE A 48 4.043 -0.375 2.724 1.00 1.00 H new ATOM 0 HD11 ILE A 48 3.963 2.410 -0.489 1.00 1.00 H new ATOM 0 HD12 ILE A 48 4.907 3.204 0.795 1.00 1.00 H new ATOM 0 HD13 ILE A 48 5.131 1.469 0.469 1.00 1.00 H new ATOM 718 N GLN A 49 3.035 0.541 6.050 1.00 1.00 N ATOM 719 CA GLN A 49 3.545 0.304 7.398 1.00 1.00 C ATOM 720 C GLN A 49 4.688 -0.697 7.380 1.00 1.00 C ATOM 721 O GLN A 49 4.588 -1.759 6.770 1.00 1.00 O ATOM 722 CB GLN A 49 2.432 -0.230 8.293 1.00 1.00 C ATOM 723 CG GLN A 49 1.426 0.878 8.573 1.00 1.00 C ATOM 724 CD GLN A 49 0.355 0.363 9.519 1.00 1.00 C ATOM 725 OE1 GLN A 49 0.291 0.844 10.726 1.00 1.00 O flip ATOM 726 NE2 GLN A 49 -0.434 -0.509 9.154 1.00 1.00 N flip ATOM 0 H GLN A 49 2.369 -0.158 5.721 1.00 1.00 H new ATOM 0 HA GLN A 49 3.912 1.254 7.788 1.00 1.00 H new ATOM 0 HB2 GLN A 49 1.936 -1.072 7.810 1.00 1.00 H new ATOM 0 HB3 GLN A 49 2.850 -0.600 9.229 1.00 1.00 H new ATOM 0 HG2 GLN A 49 1.930 1.739 9.012 1.00 1.00 H new ATOM 0 HG3 GLN A 49 0.972 1.215 7.641 1.00 1.00 H new ATOM 0 HE21 GLN A 49 -0.379 -0.882 8.206 1.00 1.00 H new ATOM 0 HE22 GLN A 49 -1.143 -0.858 9.799 1.00 1.00 H new ATOM 735 N LEU A 50 5.771 -0.356 8.070 1.00 1.00 N ATOM 736 CA LEU A 50 6.942 -1.229 8.155 1.00 1.00 C ATOM 737 C LEU A 50 7.000 -1.886 9.529 1.00 1.00 C ATOM 738 O LEU A 50 6.876 -1.218 10.554 1.00 1.00 O ATOM 739 CB LEU A 50 8.217 -0.403 7.911 1.00 1.00 C ATOM 740 CG LEU A 50 8.503 -0.297 6.407 1.00 1.00 C ATOM 741 CD1 LEU A 50 7.255 0.203 5.672 1.00 1.00 C ATOM 742 CD2 LEU A 50 9.658 0.679 6.185 1.00 1.00 C ATOM 0 H LEU A 50 5.865 0.522 8.581 1.00 1.00 H new ATOM 0 HA LEU A 50 6.868 -2.008 7.396 1.00 1.00 H new ATOM 0 HB2 LEU A 50 8.100 0.593 8.337 1.00 1.00 H new ATOM 0 HB3 LEU A 50 9.063 -0.869 8.417 1.00 1.00 H new ATOM 0 HG LEU A 50 8.772 -1.279 6.018 1.00 1.00 H new ATOM 0 HD11 LEU A 50 7.466 0.276 4.605 1.00 1.00 H new ATOM 0 HD12 LEU A 50 6.434 -0.495 5.833 1.00 1.00 H new ATOM 0 HD13 LEU A 50 6.976 1.185 6.054 1.00 1.00 H new ATOM 0 HD21 LEU A 50 9.867 0.759 5.118 1.00 1.00 H new ATOM 0 HD22 LEU A 50 9.386 1.659 6.576 1.00 1.00 H new ATOM 0 HD23 LEU A 50 10.546 0.315 6.702 1.00 1.00 H new ATOM 754 N HIS A 51 7.183 -3.204 9.541 1.00 1.00 N ATOM 755 CA HIS A 51 7.256 -3.958 10.793 1.00 1.00 C ATOM 756 C HIS A 51 8.705 -4.311 11.114 1.00 1.00 C ATOM 757 O HIS A 51 8.977 -5.303 11.789 1.00 1.00 O ATOM 758 CB HIS A 51 6.429 -5.237 10.677 1.00 1.00 C ATOM 759 CG HIS A 51 5.015 -4.889 10.305 1.00 1.00 C ATOM 760 ND1 HIS A 51 4.197 -4.125 11.124 1.00 1.00 N ATOM 761 CD2 HIS A 51 4.260 -5.193 9.201 1.00 1.00 C ATOM 762 CE1 HIS A 51 3.010 -3.995 10.503 1.00 1.00 C ATOM 763 NE2 HIS A 51 2.994 -4.626 9.326 1.00 1.00 N ATOM 0 H HIS A 51 7.283 -3.773 8.700 1.00 1.00 H new ATOM 0 HA HIS A 51 6.856 -3.341 11.597 1.00 1.00 H new ATOM 0 HB2 HIS A 51 6.862 -5.896 9.924 1.00 1.00 H new ATOM 0 HB3 HIS A 51 6.444 -5.779 11.622 1.00 1.00 H new ATOM 0 HD1 HIS A 51 4.449 -3.733 12.031 1.00 1.00 H new ATOM 0 HD2 HIS A 51 4.596 -5.783 8.361 1.00 1.00 H new ATOM 0 HE1 HIS A 51 2.172 -3.447 10.907 1.00 1.00 H new ATOM 771 N GLU A 52 9.632 -3.487 10.629 1.00 1.00 N ATOM 772 CA GLU A 52 11.052 -3.719 10.876 1.00 1.00 C ATOM 773 C GLU A 52 11.290 -4.058 12.343 1.00 1.00 C ATOM 774 O GLU A 52 10.553 -3.610 13.221 1.00 1.00 O ATOM 775 CB GLU A 52 11.859 -2.476 10.496 1.00 1.00 C ATOM 776 CG GLU A 52 11.860 -2.310 8.975 1.00 1.00 C ATOM 777 CD GLU A 52 12.522 -0.989 8.594 1.00 1.00 C ATOM 778 OE1 GLU A 52 12.918 -0.266 9.491 1.00 1.00 O ATOM 779 OE2 GLU A 52 12.621 -0.721 7.407 1.00 1.00 O ATOM 0 H GLU A 52 9.427 -2.660 10.068 1.00 1.00 H new ATOM 0 HA GLU A 52 11.377 -4.560 10.264 1.00 1.00 H new ATOM 0 HB2 GLU A 52 11.429 -1.593 10.968 1.00 1.00 H new ATOM 0 HB3 GLU A 52 12.881 -2.568 10.863 1.00 1.00 H new ATOM 0 HG2 GLU A 52 12.392 -3.140 8.511 1.00 1.00 H new ATOM 0 HG3 GLU A 52 10.838 -2.336 8.598 1.00 1.00 H new ATOM 786 N LYS A 53 12.321 -4.855 12.600 1.00 1.00 N ATOM 787 CA LYS A 53 12.640 -5.250 13.965 1.00 1.00 C ATOM 788 C LYS A 53 12.995 -4.025 14.801 1.00 1.00 C ATOM 789 O LYS A 53 12.603 -3.921 15.964 1.00 1.00 O ATOM 790 CB LYS A 53 13.816 -6.231 13.967 1.00 1.00 C ATOM 791 CG LYS A 53 13.388 -7.543 13.306 1.00 1.00 C ATOM 792 CD LYS A 53 14.554 -8.536 13.337 1.00 1.00 C ATOM 793 CE LYS A 53 14.110 -9.876 12.747 1.00 1.00 C ATOM 794 NZ LYS A 53 13.730 -9.689 11.318 1.00 1.00 N ATOM 0 H LYS A 53 12.944 -5.237 11.888 1.00 1.00 H new ATOM 0 HA LYS A 53 11.766 -5.735 14.399 1.00 1.00 H new ATOM 0 HB2 LYS A 53 14.663 -5.801 13.432 1.00 1.00 H new ATOM 0 HB3 LYS A 53 14.146 -6.417 14.989 1.00 1.00 H new ATOM 0 HG2 LYS A 53 12.527 -7.961 13.827 1.00 1.00 H new ATOM 0 HG3 LYS A 53 13.080 -7.360 12.277 1.00 1.00 H new ATOM 0 HD2 LYS A 53 15.396 -8.140 12.770 1.00 1.00 H new ATOM 0 HD3 LYS A 53 14.898 -8.676 14.362 1.00 1.00 H new ATOM 0 HE2 LYS A 53 14.916 -10.606 12.827 1.00 1.00 H new ATOM 0 HE3 LYS A 53 13.265 -10.271 13.310 1.00 1.00 H new ATOM 0 HZ1 LYS A 53 13.708 -10.613 10.841 1.00 1.00 H new ATOM 0 HZ2 LYS A 53 12.790 -9.248 11.264 1.00 1.00 H new ATOM 0 HZ3 LYS A 53 14.427 -9.075 10.851 1.00 1.00 H new ATOM 808 N GLU A 54 13.739 -3.102 14.201 1.00 1.00 N ATOM 809 CA GLU A 54 14.140 -1.886 14.904 1.00 1.00 C ATOM 810 C GLU A 54 12.918 -1.168 15.461 1.00 1.00 C ATOM 811 O GLU A 54 12.645 -1.215 16.660 1.00 1.00 O ATOM 812 CB GLU A 54 14.876 -0.946 13.949 1.00 1.00 C ATOM 813 CG GLU A 54 16.168 -1.611 13.484 1.00 1.00 C ATOM 814 CD GLU A 54 16.903 -0.700 12.505 1.00 1.00 C ATOM 815 OE1 GLU A 54 16.399 0.377 12.236 1.00 1.00 O ATOM 816 OE2 GLU A 54 17.961 -1.093 12.041 1.00 1.00 O ATOM 0 H GLU A 54 14.074 -3.170 13.240 1.00 1.00 H new ATOM 0 HA GLU A 54 14.800 -2.167 15.724 1.00 1.00 H new ATOM 0 HB2 GLU A 54 14.245 -0.712 13.092 1.00 1.00 H new ATOM 0 HB3 GLU A 54 15.098 -0.003 14.448 1.00 1.00 H new ATOM 0 HG2 GLU A 54 16.805 -1.825 14.342 1.00 1.00 H new ATOM 0 HG3 GLU A 54 15.944 -2.565 13.007 1.00 1.00 H new ATOM 823 N GLN A 55 12.184 -0.503 14.574 1.00 1.00 N ATOM 824 CA GLN A 55 10.983 0.230 14.978 1.00 1.00 C ATOM 825 C GLN A 55 9.976 0.297 13.833 1.00 1.00 C ATOM 826 O GLN A 55 10.340 0.162 12.664 1.00 1.00 O ATOM 827 CB GLN A 55 11.354 1.650 15.416 1.00 1.00 C ATOM 828 CG GLN A 55 12.012 2.401 14.253 1.00 1.00 C ATOM 829 CD GLN A 55 12.417 3.801 14.703 1.00 1.00 C ATOM 830 OE1 GLN A 55 13.026 3.965 15.761 1.00 1.00 O ATOM 831 NE2 GLN A 55 12.109 4.830 13.959 1.00 1.00 N ATOM 0 H GLN A 55 12.395 -0.455 13.577 1.00 1.00 H new ATOM 0 HA GLN A 55 10.528 -0.301 15.814 1.00 1.00 H new ATOM 0 HB2 GLN A 55 10.462 2.183 15.746 1.00 1.00 H new ATOM 0 HB3 GLN A 55 12.035 1.611 16.266 1.00 1.00 H new ATOM 0 HG2 GLN A 55 12.888 1.854 13.904 1.00 1.00 H new ATOM 0 HG3 GLN A 55 11.321 2.465 13.413 1.00 1.00 H new ATOM 0 HE21 GLN A 55 11.605 4.693 13.083 1.00 1.00 H new ATOM 0 HE22 GLN A 55 12.373 5.770 14.254 1.00 1.00 H new ATOM 840 N HIS A 56 8.710 0.518 14.177 1.00 1.00 N ATOM 841 CA HIS A 56 7.661 0.613 13.168 1.00 1.00 C ATOM 842 C HIS A 56 7.672 1.997 12.531 1.00 1.00 C ATOM 843 O HIS A 56 7.366 2.994 13.187 1.00 1.00 O ATOM 844 CB HIS A 56 6.292 0.359 13.804 1.00 1.00 C ATOM 845 CG HIS A 56 6.217 -1.054 14.309 1.00 1.00 C ATOM 846 ND1 HIS A 56 5.963 -2.125 13.469 1.00 1.00 N ATOM 847 CD2 HIS A 56 6.355 -1.589 15.568 1.00 1.00 C ATOM 848 CE1 HIS A 56 5.957 -3.240 14.223 1.00 1.00 C ATOM 849 NE2 HIS A 56 6.191 -2.969 15.509 1.00 1.00 N ATOM 0 H HIS A 56 8.388 0.634 15.138 1.00 1.00 H new ATOM 0 HA HIS A 56 7.848 -0.140 12.402 1.00 1.00 H new ATOM 0 HB2 HIS A 56 6.128 1.057 14.625 1.00 1.00 H new ATOM 0 HB3 HIS A 56 5.503 0.535 13.073 1.00 1.00 H new ATOM 0 HD2 HIS A 56 6.559 -1.024 16.466 1.00 1.00 H new ATOM 0 HE1 HIS A 56 5.784 -4.233 13.835 1.00 1.00 H new ATOM 0 HE2 HIS A 56 6.239 -3.632 16.283 1.00 1.00 H new ATOM 857 N VAL A 57 8.030 2.056 11.250 1.00 1.00 N ATOM 858 CA VAL A 57 8.081 3.330 10.532 1.00 1.00 C ATOM 859 C VAL A 57 6.781 3.569 9.775 1.00 1.00 C ATOM 860 O VAL A 57 6.272 2.678 9.095 1.00 1.00 O ATOM 861 CB VAL A 57 9.245 3.335 9.546 1.00 1.00 C ATOM 862 CG1 VAL A 57 9.490 4.760 9.044 1.00 1.00 C ATOM 863 CG2 VAL A 57 10.502 2.806 10.242 1.00 1.00 C ATOM 0 H VAL A 57 8.288 1.243 10.690 1.00 1.00 H new ATOM 0 HA VAL A 57 8.221 4.126 11.263 1.00 1.00 H new ATOM 0 HB VAL A 57 9.005 2.695 8.697 1.00 1.00 H new ATOM 0 HG11 VAL A 57 10.322 4.760 8.340 1.00 1.00 H new ATOM 0 HG12 VAL A 57 8.594 5.130 8.546 1.00 1.00 H new ATOM 0 HG13 VAL A 57 9.729 5.407 9.888 1.00 1.00 H new ATOM 0 HG21 VAL A 57 11.335 2.809 9.539 1.00 1.00 H new ATOM 0 HG22 VAL A 57 10.743 3.444 11.093 1.00 1.00 H new ATOM 0 HG23 VAL A 57 10.324 1.789 10.590 1.00 1.00 H new ATOM 873 N GLN A 58 6.247 4.780 9.902 1.00 1.00 N ATOM 874 CA GLN A 58 4.998 5.140 9.234 1.00 1.00 C ATOM 875 C GLN A 58 5.284 5.930 7.960 1.00 1.00 C ATOM 876 O GLN A 58 5.667 7.098 8.016 1.00 1.00 O ATOM 877 CB GLN A 58 4.147 5.998 10.174 1.00 1.00 C ATOM 878 CG GLN A 58 2.727 6.115 9.621 1.00 1.00 C ATOM 879 CD GLN A 58 1.992 4.790 9.794 1.00 1.00 C ATOM 880 OE1 GLN A 58 1.585 4.138 8.742 1.00 1.00 O flip ATOM 881 NE2 GLN A 58 1.790 4.335 10.919 1.00 1.00 N flip ATOM 0 H GLN A 58 6.658 5.528 10.460 1.00 1.00 H new ATOM 0 HA GLN A 58 4.464 4.226 8.974 1.00 1.00 H new ATOM 0 HB2 GLN A 58 4.125 5.552 11.168 1.00 1.00 H new ATOM 0 HB3 GLN A 58 4.590 6.989 10.278 1.00 1.00 H new ATOM 0 HG2 GLN A 58 2.190 6.909 10.139 1.00 1.00 H new ATOM 0 HG3 GLN A 58 2.759 6.388 8.566 1.00 1.00 H new ATOM 0 HE21 GLN A 58 2.110 4.847 11.741 1.00 1.00 H new ATOM 0 HE22 GLN A 58 1.303 3.446 11.030 1.00 1.00 H new ATOM 890 N ASP A 59 5.081 5.285 6.813 1.00 1.00 N ATOM 891 CA ASP A 59 5.303 5.928 5.517 1.00 1.00 C ATOM 892 C ASP A 59 3.967 6.256 4.863 1.00 1.00 C ATOM 893 O ASP A 59 3.219 5.358 4.482 1.00 1.00 O ATOM 894 CB ASP A 59 6.099 4.996 4.603 1.00 1.00 C ATOM 895 CG ASP A 59 7.547 4.912 5.075 1.00 1.00 C ATOM 896 OD1 ASP A 59 7.947 5.763 5.853 1.00 1.00 O ATOM 897 OD2 ASP A 59 8.233 3.997 4.653 1.00 1.00 O ATOM 0 H ASP A 59 4.763 4.318 6.753 1.00 1.00 H new ATOM 0 HA ASP A 59 5.864 6.849 5.674 1.00 1.00 H new ATOM 0 HB2 ASP A 59 5.650 4.003 4.603 1.00 1.00 H new ATOM 0 HB3 ASP A 59 6.063 5.362 3.577 1.00 1.00 H new ATOM 902 N ILE A 60 3.662 7.545 4.736 1.00 1.00 N ATOM 903 CA ILE A 60 2.402 7.969 4.127 1.00 1.00 C ATOM 904 C ILE A 60 2.630 8.377 2.677 1.00 1.00 C ATOM 905 O ILE A 60 3.280 9.385 2.399 1.00 1.00 O ATOM 906 CB ILE A 60 1.831 9.147 4.914 1.00 1.00 C ATOM 907 CG1 ILE A 60 1.575 8.709 6.358 1.00 1.00 C ATOM 908 CG2 ILE A 60 0.515 9.602 4.280 1.00 1.00 C ATOM 909 CD1 ILE A 60 1.250 9.933 7.217 1.00 1.00 C ATOM 0 H ILE A 60 4.264 8.309 5.043 1.00 1.00 H new ATOM 0 HA ILE A 60 1.696 7.139 4.149 1.00 1.00 H new ATOM 0 HB ILE A 60 2.542 9.973 4.899 1.00 1.00 H new ATOM 0 HG12 ILE A 60 0.749 7.999 6.392 1.00 1.00 H new ATOM 0 HG13 ILE A 60 2.452 8.197 6.754 1.00 1.00 H new ATOM 0 HG21 ILE A 60 0.111 10.442 4.844 1.00 1.00 H new ATOM 0 HG22 ILE A 60 0.695 9.909 3.250 1.00 1.00 H new ATOM 0 HG23 ILE A 60 -0.199 8.779 4.294 1.00 1.00 H new ATOM 0 HD11 ILE A 60 1.068 9.618 8.245 1.00 1.00 H new ATOM 0 HD12 ILE A 60 2.090 10.627 7.193 1.00 1.00 H new ATOM 0 HD13 ILE A 60 0.360 10.426 6.826 1.00 1.00 H new ATOM 921 N ILE A 61 2.092 7.580 1.750 1.00 1.00 N ATOM 922 CA ILE A 61 2.240 7.850 0.316 1.00 1.00 C ATOM 923 C ILE A 61 0.883 8.228 -0.293 1.00 1.00 C ATOM 924 O ILE A 61 -0.034 7.412 -0.286 1.00 1.00 O ATOM 925 CB ILE A 61 2.767 6.597 -0.388 1.00 1.00 C ATOM 926 CG1 ILE A 61 3.994 6.051 0.363 1.00 1.00 C ATOM 927 CG2 ILE A 61 3.157 6.938 -1.827 1.00 1.00 C ATOM 928 CD1 ILE A 61 5.047 7.154 0.544 1.00 1.00 C ATOM 0 H ILE A 61 1.550 6.743 1.966 1.00 1.00 H new ATOM 0 HA ILE A 61 2.939 8.675 0.184 1.00 1.00 H new ATOM 0 HB ILE A 61 1.984 5.838 -0.396 1.00 1.00 H new ATOM 0 HG12 ILE A 61 3.691 5.666 1.337 1.00 1.00 H new ATOM 0 HG13 ILE A 61 4.424 5.216 -0.190 1.00 1.00 H new ATOM 0 HG21 ILE A 61 3.532 6.043 -2.324 1.00 1.00 H new ATOM 0 HG22 ILE A 61 2.284 7.312 -2.362 1.00 1.00 H new ATOM 0 HG23 ILE A 61 3.934 7.702 -1.822 1.00 1.00 H new ATOM 0 HD11 ILE A 61 5.908 6.751 1.077 1.00 1.00 H new ATOM 0 HD12 ILE A 61 5.363 7.519 -0.433 1.00 1.00 H new ATOM 0 HD13 ILE A 61 4.618 7.976 1.117 1.00 1.00 H new ATOM 940 N PRO A 62 0.710 9.430 -0.811 1.00 1.00 N ATOM 941 CA PRO A 62 -0.596 9.848 -1.401 1.00 1.00 C ATOM 942 C PRO A 62 -0.844 9.230 -2.776 1.00 1.00 C ATOM 943 O PRO A 62 0.089 9.001 -3.547 1.00 1.00 O ATOM 944 CB PRO A 62 -0.482 11.377 -1.464 1.00 1.00 C ATOM 945 CG PRO A 62 0.977 11.644 -1.641 1.00 1.00 C ATOM 946 CD PRO A 62 1.714 10.512 -0.909 1.00 1.00 C ATOM 0 HA PRO A 62 -1.448 9.510 -0.810 1.00 1.00 H new ATOM 0 HB2 PRO A 62 -1.062 11.783 -2.293 1.00 1.00 H new ATOM 0 HB3 PRO A 62 -0.861 11.840 -0.553 1.00 1.00 H new ATOM 0 HG2 PRO A 62 1.244 11.662 -2.698 1.00 1.00 H new ATOM 0 HG3 PRO A 62 1.248 12.615 -1.227 1.00 1.00 H new ATOM 0 HD2 PRO A 62 2.596 10.188 -1.462 1.00 1.00 H new ATOM 0 HD3 PRO A 62 2.054 10.830 0.076 1.00 1.00 H new ATOM 954 N ILE A 63 -2.118 8.968 -3.074 1.00 1.00 N ATOM 955 CA ILE A 63 -2.501 8.380 -4.355 1.00 1.00 C ATOM 956 C ILE A 63 -2.790 9.479 -5.374 1.00 1.00 C ATOM 957 O ILE A 63 -3.675 10.309 -5.174 1.00 1.00 O ATOM 958 CB ILE A 63 -3.742 7.500 -4.167 1.00 1.00 C ATOM 959 CG1 ILE A 63 -3.374 6.302 -3.283 1.00 1.00 C ATOM 960 CG2 ILE A 63 -4.238 6.994 -5.523 1.00 1.00 C ATOM 961 CD1 ILE A 63 -4.644 5.581 -2.820 1.00 1.00 C ATOM 0 H ILE A 63 -2.900 9.154 -2.445 1.00 1.00 H new ATOM 0 HA ILE A 63 -1.679 7.768 -4.726 1.00 1.00 H new ATOM 0 HB ILE A 63 -4.532 8.085 -3.696 1.00 1.00 H new ATOM 0 HG12 ILE A 63 -2.737 5.613 -3.837 1.00 1.00 H new ATOM 0 HG13 ILE A 63 -2.802 6.640 -2.419 1.00 1.00 H new ATOM 0 HG21 ILE A 63 -5.120 6.370 -5.378 1.00 1.00 H new ATOM 0 HG22 ILE A 63 -4.495 7.843 -6.157 1.00 1.00 H new ATOM 0 HG23 ILE A 63 -3.453 6.408 -6.002 1.00 1.00 H new ATOM 0 HD11 ILE A 63 -4.372 4.732 -2.193 1.00 1.00 H new ATOM 0 HD12 ILE A 63 -5.266 6.270 -2.248 1.00 1.00 H new ATOM 0 HD13 ILE A 63 -5.199 5.227 -3.689 1.00 1.00 H new ATOM 973 N ASN A 64 -2.031 9.470 -6.466 1.00 1.00 N ATOM 974 CA ASN A 64 -2.195 10.464 -7.518 1.00 1.00 C ATOM 975 C ASN A 64 -1.278 10.142 -8.695 1.00 1.00 C ATOM 976 O ASN A 64 -0.788 9.020 -8.822 1.00 1.00 O ATOM 977 CB ASN A 64 -1.871 11.860 -6.986 1.00 1.00 C ATOM 978 CG ASN A 64 -0.422 11.915 -6.513 1.00 1.00 C ATOM 979 OD1 ASN A 64 0.358 11.008 -6.800 1.00 1.00 O ATOM 980 ND2 ASN A 64 -0.017 12.930 -5.802 1.00 1.00 N ATOM 0 H ASN A 64 -1.297 8.785 -6.644 1.00 1.00 H new ATOM 0 HA ASN A 64 -3.232 10.442 -7.853 1.00 1.00 H new ATOM 0 HB2 ASN A 64 -2.036 12.603 -7.767 1.00 1.00 H new ATOM 0 HB3 ASN A 64 -2.541 12.109 -6.163 1.00 1.00 H new ATOM 0 HD21 ASN A 64 0.950 12.974 -5.481 1.00 1.00 H new ATOM 0 HD22 ASN A 64 -0.667 13.680 -5.567 1.00 1.00 H new ATOM 987 N SER A 65 -1.057 11.130 -9.554 1.00 1.00 N ATOM 988 CA SER A 65 -0.204 10.937 -10.723 1.00 1.00 C ATOM 989 C SER A 65 1.237 10.641 -10.312 1.00 1.00 C ATOM 990 O SER A 65 1.983 10.006 -11.057 1.00 1.00 O ATOM 991 CB SER A 65 -0.233 12.189 -11.599 1.00 1.00 C ATOM 992 OG SER A 65 0.218 13.304 -10.842 1.00 1.00 O ATOM 0 H SER A 65 -1.452 12.066 -9.466 1.00 1.00 H new ATOM 0 HA SER A 65 -0.587 10.084 -11.282 1.00 1.00 H new ATOM 0 HB2 SER A 65 0.401 12.049 -12.474 1.00 1.00 H new ATOM 0 HB3 SER A 65 -1.244 12.368 -11.964 1.00 1.00 H new ATOM 0 HG SER A 65 0.202 14.108 -11.402 1.00 1.00 H new ATOM 998 N HIS A 66 1.629 11.109 -9.129 1.00 1.00 N ATOM 999 CA HIS A 66 2.990 10.892 -8.640 1.00 1.00 C ATOM 1000 C HIS A 66 3.119 9.525 -7.974 1.00 1.00 C ATOM 1001 O HIS A 66 4.225 9.071 -7.681 1.00 1.00 O ATOM 1002 CB HIS A 66 3.370 11.987 -7.642 1.00 1.00 C ATOM 1003 CG HIS A 66 3.564 13.292 -8.371 1.00 1.00 C ATOM 1004 ND1 HIS A 66 3.941 14.453 -7.714 1.00 1.00 N ATOM 1005 CD2 HIS A 66 3.434 13.636 -9.694 1.00 1.00 C ATOM 1006 CE1 HIS A 66 4.026 15.431 -8.634 1.00 1.00 C ATOM 1007 NE2 HIS A 66 3.727 14.987 -9.858 1.00 1.00 N ATOM 0 H HIS A 66 1.029 11.637 -8.495 1.00 1.00 H new ATOM 0 HA HIS A 66 3.666 10.928 -9.494 1.00 1.00 H new ATOM 0 HB2 HIS A 66 2.590 12.093 -6.888 1.00 1.00 H new ATOM 0 HB3 HIS A 66 4.285 11.713 -7.117 1.00 1.00 H new ATOM 0 HD2 HIS A 66 3.148 12.961 -10.487 1.00 1.00 H new ATOM 0 HE1 HIS A 66 4.302 16.451 -8.410 1.00 1.00 H new ATOM 0 HE2 HIS A 66 3.716 15.523 -10.726 1.00 1.00 H new ATOM 1015 N PHE A 67 1.983 8.867 -7.743 1.00 1.00 N ATOM 1016 CA PHE A 67 1.968 7.540 -7.117 1.00 1.00 C ATOM 1017 C PHE A 67 1.399 6.509 -8.087 1.00 1.00 C ATOM 1018 O PHE A 67 0.322 6.702 -8.651 1.00 1.00 O ATOM 1019 CB PHE A 67 1.121 7.581 -5.835 1.00 1.00 C ATOM 1020 CG PHE A 67 0.763 6.176 -5.396 1.00 1.00 C ATOM 1021 CD1 PHE A 67 1.649 5.426 -4.614 1.00 1.00 C ATOM 1022 CD2 PHE A 67 -0.462 5.623 -5.786 1.00 1.00 C ATOM 1023 CE1 PHE A 67 1.307 4.123 -4.225 1.00 1.00 C ATOM 1024 CE2 PHE A 67 -0.804 4.324 -5.397 1.00 1.00 C ATOM 1025 CZ PHE A 67 0.080 3.573 -4.616 1.00 1.00 C ATOM 0 H PHE A 67 1.059 9.229 -7.979 1.00 1.00 H new ATOM 0 HA PHE A 67 2.989 7.255 -6.862 1.00 1.00 H new ATOM 0 HB2 PHE A 67 1.672 8.087 -5.043 1.00 1.00 H new ATOM 0 HB3 PHE A 67 0.212 8.157 -6.010 1.00 1.00 H new ATOM 0 HD1 PHE A 67 2.595 5.850 -4.311 1.00 1.00 H new ATOM 0 HD2 PHE A 67 -1.146 6.202 -6.390 1.00 1.00 H new ATOM 0 HE1 PHE A 67 1.991 3.543 -3.623 1.00 1.00 H new ATOM 0 HE2 PHE A 67 -1.750 3.901 -5.700 1.00 1.00 H new ATOM 0 HZ PHE A 67 -0.183 2.570 -4.315 1.00 1.00 H new ATOM 1035 N ARG A 68 2.126 5.408 -8.265 1.00 1.00 N ATOM 1036 CA ARG A 68 1.685 4.338 -9.159 1.00 1.00 C ATOM 1037 C ARG A 68 1.906 2.974 -8.518 1.00 1.00 C ATOM 1038 O ARG A 68 2.865 2.769 -7.774 1.00 1.00 O ATOM 1039 CB ARG A 68 2.446 4.405 -10.481 1.00 1.00 C ATOM 1040 CG ARG A 68 2.038 5.666 -11.241 1.00 1.00 C ATOM 1041 CD ARG A 68 2.762 5.693 -12.584 1.00 1.00 C ATOM 1042 NE ARG A 68 4.196 5.850 -12.373 1.00 1.00 N ATOM 1043 CZ ARG A 68 4.742 7.051 -12.206 1.00 1.00 C ATOM 1044 NH1 ARG A 68 4.002 8.124 -12.281 1.00 1.00 N ATOM 1045 NH2 ARG A 68 6.022 7.158 -11.975 1.00 1.00 N ATOM 0 H ARG A 68 3.019 5.233 -7.805 1.00 1.00 H new ATOM 0 HA ARG A 68 0.620 4.473 -9.346 1.00 1.00 H new ATOM 0 HB2 ARG A 68 3.520 4.411 -10.295 1.00 1.00 H new ATOM 0 HB3 ARG A 68 2.232 3.521 -11.081 1.00 1.00 H new ATOM 0 HG2 ARG A 68 0.959 5.680 -11.395 1.00 1.00 H new ATOM 0 HG3 ARG A 68 2.289 6.553 -10.660 1.00 1.00 H new ATOM 0 HD2 ARG A 68 2.565 4.771 -13.131 1.00 1.00 H new ATOM 0 HD3 ARG A 68 2.384 6.513 -13.194 1.00 1.00 H new ATOM 0 HE ARG A 68 4.792 5.023 -12.353 1.00 1.00 H new ATOM 0 HH11 ARG A 68 3.003 8.042 -12.468 1.00 1.00 H new ATOM 0 HH12 ARG A 68 4.423 9.044 -12.153 1.00 1.00 H new ATOM 0 HH21 ARG A 68 6.603 6.321 -11.923 1.00 1.00 H new ATOM 0 HH22 ARG A 68 6.442 8.079 -11.847 1.00 1.00 H new ATOM 1059 N CYS A 69 1.010 2.043 -8.830 1.00 1.00 N ATOM 1060 CA CYS A 69 1.090 0.678 -8.308 1.00 1.00 C ATOM 1061 C CYS A 69 1.012 -0.301 -9.471 1.00 1.00 C ATOM 1062 O CYS A 69 -0.051 -0.492 -10.056 1.00 1.00 O ATOM 1063 CB CYS A 69 -0.072 0.428 -7.336 1.00 1.00 C ATOM 1064 SG CYS A 69 -0.263 -1.349 -7.045 1.00 1.00 S ATOM 0 H CYS A 69 0.214 2.208 -9.446 1.00 1.00 H new ATOM 0 HA CYS A 69 2.031 0.540 -7.776 1.00 1.00 H new ATOM 0 HB2 CYS A 69 0.115 0.941 -6.393 1.00 1.00 H new ATOM 0 HB3 CYS A 69 -0.995 0.839 -7.745 1.00 1.00 H new ATOM 0 HG CYS A 69 -1.247 -1.550 -6.220 1.00 1.00 H new ATOM 1070 N VAL A 70 2.145 -0.918 -9.815 1.00 1.00 N ATOM 1071 CA VAL A 70 2.180 -1.865 -10.937 1.00 1.00 C ATOM 1072 C VAL A 70 2.355 -3.294 -10.439 1.00 1.00 C ATOM 1073 O VAL A 70 3.278 -3.594 -9.685 1.00 1.00 O ATOM 1074 CB VAL A 70 3.324 -1.503 -11.889 1.00 1.00 C ATOM 1075 CG1 VAL A 70 3.042 -0.144 -12.526 1.00 1.00 C ATOM 1076 CG2 VAL A 70 4.640 -1.421 -11.116 1.00 1.00 C ATOM 0 H VAL A 70 3.039 -0.784 -9.342 1.00 1.00 H new ATOM 0 HA VAL A 70 1.231 -1.801 -11.469 1.00 1.00 H new ATOM 0 HB VAL A 70 3.401 -2.270 -12.659 1.00 1.00 H new ATOM 0 HG11 VAL A 70 3.855 0.116 -13.204 1.00 1.00 H new ATOM 0 HG12 VAL A 70 2.106 -0.190 -13.083 1.00 1.00 H new ATOM 0 HG13 VAL A 70 2.963 0.614 -11.747 1.00 1.00 H new ATOM 0 HG21 VAL A 70 5.448 -1.163 -11.800 1.00 1.00 H new ATOM 0 HG22 VAL A 70 4.561 -0.656 -10.343 1.00 1.00 H new ATOM 0 HG23 VAL A 70 4.850 -2.385 -10.653 1.00 1.00 H new ATOM 1086 N GLN A 71 1.452 -4.170 -10.868 1.00 1.00 N ATOM 1087 CA GLN A 71 1.498 -5.571 -10.466 1.00 1.00 C ATOM 1088 C GLN A 71 2.480 -6.343 -11.343 1.00 1.00 C ATOM 1089 O GLN A 71 2.269 -6.484 -12.548 1.00 1.00 O ATOM 1090 CB GLN A 71 0.105 -6.194 -10.589 1.00 1.00 C ATOM 1091 CG GLN A 71 0.056 -7.506 -9.802 1.00 1.00 C ATOM 1092 CD GLN A 71 -0.009 -7.214 -8.308 1.00 1.00 C ATOM 1093 OE1 GLN A 71 0.822 -7.809 -7.499 1.00 1.00 O flip ATOM 1094 NE2 GLN A 71 -0.839 -6.421 -7.867 1.00 1.00 N flip ATOM 0 H GLN A 71 0.681 -3.935 -11.493 1.00 1.00 H new ATOM 0 HA GLN A 71 1.830 -5.624 -9.429 1.00 1.00 H new ATOM 0 HB2 GLN A 71 -0.648 -5.503 -10.210 1.00 1.00 H new ATOM 0 HB3 GLN A 71 -0.130 -6.378 -11.637 1.00 1.00 H new ATOM 0 HG2 GLN A 71 -0.813 -8.090 -10.105 1.00 1.00 H new ATOM 0 HG3 GLN A 71 0.937 -8.107 -10.026 1.00 1.00 H new ATOM 0 HE21 GLN A 71 -1.488 -5.957 -8.502 1.00 1.00 H new ATOM 0 HE22 GLN A 71 -0.878 -6.228 -6.866 1.00 1.00 H new ATOM 1103 N GLU A 72 3.549 -6.841 -10.725 1.00 1.00 N ATOM 1104 CA GLU A 72 4.573 -7.605 -11.439 1.00 1.00 C ATOM 1105 C GLU A 72 4.801 -7.027 -12.833 1.00 1.00 C ATOM 1106 O GLU A 72 4.625 -7.710 -13.843 1.00 1.00 O ATOM 1107 CB GLU A 72 4.146 -9.070 -11.548 1.00 1.00 C ATOM 1108 CG GLU A 72 5.334 -9.921 -12.005 1.00 1.00 C ATOM 1109 CD GLU A 72 4.940 -11.393 -12.022 1.00 1.00 C ATOM 1110 OE1 GLU A 72 3.756 -11.671 -11.928 1.00 1.00 O ATOM 1111 OE2 GLU A 72 5.829 -12.222 -12.126 1.00 1.00 O ATOM 0 H GLU A 72 3.730 -6.729 -9.727 1.00 1.00 H new ATOM 0 HA GLU A 72 5.506 -7.541 -10.880 1.00 1.00 H new ATOM 0 HB2 GLU A 72 3.781 -9.425 -10.584 1.00 1.00 H new ATOM 0 HB3 GLU A 72 3.323 -9.167 -12.256 1.00 1.00 H new ATOM 0 HG2 GLU A 72 5.655 -9.610 -12.999 1.00 1.00 H new ATOM 0 HG3 GLU A 72 6.180 -9.770 -11.335 1.00 1.00 H new ATOM 1229 N ASP A 80 -4.897 -5.396 -12.593 1.00 1.00 N ATOM 1230 CA ASP A 80 -4.251 -5.801 -11.340 1.00 1.00 C ATOM 1231 C ASP A 80 -4.964 -7.016 -10.749 1.00 1.00 C ATOM 1232 O ASP A 80 -4.334 -7.899 -10.169 1.00 1.00 O ATOM 1233 CB ASP A 80 -4.286 -4.648 -10.334 1.00 1.00 C ATOM 1234 CG ASP A 80 -3.300 -3.559 -10.742 1.00 1.00 C ATOM 1235 OD1 ASP A 80 -2.361 -3.873 -11.452 1.00 1.00 O ATOM 1236 OD2 ASP A 80 -3.493 -2.427 -10.327 1.00 1.00 O ATOM 0 HA ASP A 80 -3.214 -6.062 -11.552 1.00 1.00 H new ATOM 0 HB2 ASP A 80 -5.293 -4.234 -10.280 1.00 1.00 H new ATOM 0 HB3 ASP A 80 -4.039 -5.017 -9.339 1.00 1.00 H new ATOM 1241 N ILE A 81 -6.283 -7.044 -10.905 1.00 1.00 N ATOM 1242 CA ILE A 81 -7.092 -8.144 -10.391 1.00 1.00 C ATOM 1243 C ILE A 81 -6.764 -9.443 -11.123 1.00 1.00 C ATOM 1244 O ILE A 81 -6.662 -10.503 -10.510 1.00 1.00 O ATOM 1245 CB ILE A 81 -8.579 -7.820 -10.561 1.00 1.00 C ATOM 1246 CG1 ILE A 81 -8.888 -6.450 -9.933 1.00 1.00 C ATOM 1247 CG2 ILE A 81 -9.427 -8.904 -9.892 1.00 1.00 C ATOM 1248 CD1 ILE A 81 -8.441 -6.409 -8.464 1.00 1.00 C ATOM 0 H ILE A 81 -6.815 -6.317 -11.383 1.00 1.00 H new ATOM 0 HA ILE A 81 -6.866 -8.273 -9.333 1.00 1.00 H new ATOM 0 HB ILE A 81 -8.819 -7.787 -11.624 1.00 1.00 H new ATOM 0 HG12 ILE A 81 -8.381 -5.665 -10.494 1.00 1.00 H new ATOM 0 HG13 ILE A 81 -9.957 -6.248 -9.998 1.00 1.00 H new ATOM 0 HG21 ILE A 81 -10.484 -8.668 -10.016 1.00 1.00 H new ATOM 0 HG22 ILE A 81 -9.214 -9.869 -10.353 1.00 1.00 H new ATOM 0 HG23 ILE A 81 -9.188 -8.949 -8.829 1.00 1.00 H new ATOM 0 HD11 ILE A 81 -8.670 -5.431 -8.041 1.00 1.00 H new ATOM 0 HD12 ILE A 81 -8.968 -7.180 -7.902 1.00 1.00 H new ATOM 0 HD13 ILE A 81 -7.367 -6.588 -8.405 1.00 1.00 H new ATOM 1260 N ALA A 82 -6.613 -9.351 -12.440 1.00 1.00 N ATOM 1261 CA ALA A 82 -6.310 -10.526 -13.250 1.00 1.00 C ATOM 1262 C ALA A 82 -5.069 -11.243 -12.726 1.00 1.00 C ATOM 1263 O ALA A 82 -4.908 -12.447 -12.926 1.00 1.00 O ATOM 1264 CB ALA A 82 -6.079 -10.107 -14.704 1.00 1.00 C ATOM 0 H ALA A 82 -6.695 -8.481 -12.967 1.00 1.00 H new ATOM 0 HA ALA A 82 -7.158 -11.209 -13.192 1.00 1.00 H new ATOM 0 HB1 ALA A 82 -5.853 -10.988 -15.305 1.00 1.00 H new ATOM 0 HB2 ALA A 82 -6.977 -9.624 -15.091 1.00 1.00 H new ATOM 0 HB3 ALA A 82 -5.243 -9.410 -14.753 1.00 1.00 H new ATOM 1270 N SER A 83 -4.191 -10.498 -12.055 1.00 1.00 N ATOM 1271 CA SER A 83 -2.959 -11.071 -11.503 1.00 1.00 C ATOM 1272 C SER A 83 -3.084 -11.258 -9.995 1.00 1.00 C ATOM 1273 O SER A 83 -2.390 -10.606 -9.214 1.00 1.00 O ATOM 1274 CB SER A 83 -1.780 -10.149 -11.807 1.00 1.00 C ATOM 1275 OG SER A 83 -0.732 -10.404 -10.882 1.00 1.00 O ATOM 0 H SER A 83 -4.307 -9.500 -11.880 1.00 1.00 H new ATOM 0 HA SER A 83 -2.791 -12.044 -11.965 1.00 1.00 H new ATOM 0 HB2 SER A 83 -1.429 -10.313 -12.826 1.00 1.00 H new ATOM 0 HB3 SER A 83 -2.093 -9.107 -11.741 1.00 1.00 H new ATOM 0 HG SER A 83 -1.013 -10.128 -9.985 1.00 1.00 H new ATOM 1281 N ASN A 84 -3.971 -12.162 -9.596 1.00 1.00 N ATOM 1282 CA ASN A 84 -4.186 -12.450 -8.177 1.00 1.00 C ATOM 1283 C ASN A 84 -3.285 -13.595 -7.731 1.00 1.00 C ATOM 1284 O ASN A 84 -2.405 -14.027 -8.475 1.00 1.00 O ATOM 1285 CB ASN A 84 -5.647 -12.828 -7.940 1.00 1.00 C ATOM 1286 CG ASN A 84 -6.551 -11.616 -8.151 1.00 1.00 C ATOM 1287 OD1 ASN A 84 -6.096 -10.417 -7.903 1.00 1.00 O flip ATOM 1288 ND2 ASN A 84 -7.707 -11.767 -8.548 1.00 1.00 N flip ATOM 0 H ASN A 84 -4.553 -12.709 -10.231 1.00 1.00 H new ATOM 0 HA ASN A 84 -3.944 -11.559 -7.598 1.00 1.00 H new ATOM 0 HB2 ASN A 84 -5.937 -13.629 -8.620 1.00 1.00 H new ATOM 0 HB3 ASN A 84 -5.771 -13.210 -6.927 1.00 1.00 H new ATOM 0 HD21 ASN A 84 -8.062 -12.704 -8.741 1.00 1.00 H new ATOM 0 HD22 ASN A 84 -8.310 -10.955 -8.683 1.00 1.00 H new ATOM 1295 N SER A 85 -3.503 -14.075 -6.512 1.00 1.00 N ATOM 1296 CA SER A 85 -2.694 -15.166 -5.977 1.00 1.00 C ATOM 1297 C SER A 85 -1.246 -14.709 -5.810 1.00 1.00 C ATOM 1298 O SER A 85 -0.480 -14.679 -6.772 1.00 1.00 O ATOM 1299 CB SER A 85 -2.757 -16.376 -6.918 1.00 1.00 C ATOM 1300 OG SER A 85 -1.778 -16.240 -7.940 1.00 1.00 O ATOM 0 H SER A 85 -4.226 -13.731 -5.880 1.00 1.00 H new ATOM 0 HA SER A 85 -3.089 -15.455 -5.003 1.00 1.00 H new ATOM 0 HB2 SER A 85 -2.586 -17.295 -6.357 1.00 1.00 H new ATOM 0 HB3 SER A 85 -3.750 -16.453 -7.360 1.00 1.00 H new ATOM 0 HG SER A 85 -1.526 -15.297 -8.028 1.00 1.00 H new ATOM 1306 N GLY A 86 -0.884 -14.331 -4.588 1.00 1.00 N ATOM 1307 CA GLY A 86 0.471 -13.855 -4.330 1.00 1.00 C ATOM 1308 C GLY A 86 0.827 -12.766 -5.331 1.00 1.00 C ATOM 1309 O GLY A 86 1.524 -13.016 -6.315 1.00 1.00 O ATOM 0 H GLY A 86 -1.498 -14.344 -3.773 1.00 1.00 H new ATOM 0 HA2 GLY A 86 0.544 -13.467 -3.314 1.00 1.00 H new ATOM 0 HA3 GLY A 86 1.179 -14.680 -4.408 1.00 1.00 H new ATOM 1313 N CYS A 87 0.307 -11.563 -5.094 1.00 1.00 N ATOM 1314 CA CYS A 87 0.536 -10.437 -6.003 1.00 1.00 C ATOM 1315 C CYS A 87 1.703 -9.562 -5.540 1.00 1.00 C ATOM 1316 O CYS A 87 1.780 -9.180 -4.372 1.00 1.00 O ATOM 1317 CB CYS A 87 -0.754 -9.571 -6.097 1.00 1.00 C ATOM 1318 SG CYS A 87 -2.143 -10.418 -5.295 1.00 1.00 S ATOM 0 H CYS A 87 -0.273 -11.342 -4.285 1.00 1.00 H new ATOM 0 HA CYS A 87 0.788 -10.845 -6.982 1.00 1.00 H new ATOM 0 HB2 CYS A 87 -0.586 -8.604 -5.622 1.00 1.00 H new ATOM 0 HB3 CYS A 87 -0.993 -9.376 -7.142 1.00 1.00 H new ATOM 1323 N LYS A 88 2.579 -9.208 -6.482 1.00 1.00 N ATOM 1324 CA LYS A 88 3.708 -8.325 -6.192 1.00 1.00 C ATOM 1325 C LYS A 88 3.444 -6.968 -6.827 1.00 1.00 C ATOM 1326 O LYS A 88 3.221 -6.883 -8.032 1.00 1.00 O ATOM 1327 CB LYS A 88 5.009 -8.889 -6.771 1.00 1.00 C ATOM 1328 CG LYS A 88 5.387 -10.193 -6.067 1.00 1.00 C ATOM 1329 CD LYS A 88 6.655 -10.753 -6.716 1.00 1.00 C ATOM 1330 CE LYS A 88 7.058 -12.062 -6.034 1.00 1.00 C ATOM 1331 NZ LYS A 88 8.277 -12.609 -6.695 1.00 1.00 N ATOM 0 H LYS A 88 2.528 -9.520 -7.452 1.00 1.00 H new ATOM 0 HA LYS A 88 3.813 -8.238 -5.111 1.00 1.00 H new ATOM 0 HB2 LYS A 88 4.891 -9.067 -7.840 1.00 1.00 H new ATOM 0 HB3 LYS A 88 5.811 -8.160 -6.655 1.00 1.00 H new ATOM 0 HG2 LYS A 88 5.554 -10.014 -5.005 1.00 1.00 H new ATOM 0 HG3 LYS A 88 4.573 -10.914 -6.145 1.00 1.00 H new ATOM 0 HD2 LYS A 88 6.484 -10.925 -7.779 1.00 1.00 H new ATOM 0 HD3 LYS A 88 7.465 -10.028 -6.637 1.00 1.00 H new ATOM 0 HE2 LYS A 88 7.251 -11.889 -4.975 1.00 1.00 H new ATOM 0 HE3 LYS A 88 6.243 -12.783 -6.095 1.00 1.00 H new ATOM 0 HZ1 LYS A 88 8.553 -13.499 -6.233 1.00 1.00 H new ATOM 0 HZ2 LYS A 88 8.076 -12.788 -7.700 1.00 1.00 H new ATOM 0 HZ3 LYS A 88 9.054 -11.922 -6.614 1.00 1.00 H new ATOM 1345 N ILE A 89 3.470 -5.909 -6.022 1.00 1.00 N ATOM 1346 CA ILE A 89 3.234 -4.555 -6.534 1.00 1.00 C ATOM 1347 C ILE A 89 4.440 -3.675 -6.246 1.00 1.00 C ATOM 1348 O ILE A 89 5.139 -3.875 -5.253 1.00 1.00 O ATOM 1349 CB ILE A 89 1.982 -3.943 -5.883 1.00 1.00 C ATOM 1350 CG1 ILE A 89 2.136 -3.915 -4.334 1.00 1.00 C ATOM 1351 CG2 ILE A 89 0.759 -4.777 -6.277 1.00 1.00 C ATOM 1352 CD1 ILE A 89 2.581 -2.522 -3.864 1.00 1.00 C ATOM 0 H ILE A 89 3.650 -5.957 -5.019 1.00 1.00 H new ATOM 0 HA ILE A 89 3.077 -4.615 -7.611 1.00 1.00 H new ATOM 0 HB ILE A 89 1.855 -2.918 -6.232 1.00 1.00 H new ATOM 0 HG12 ILE A 89 1.189 -4.179 -3.863 1.00 1.00 H new ATOM 0 HG13 ILE A 89 2.866 -4.661 -4.021 1.00 1.00 H new ATOM 0 HG21 ILE A 89 -0.134 -4.351 -5.820 1.00 1.00 H new ATOM 0 HG22 ILE A 89 0.649 -4.772 -7.361 1.00 1.00 H new ATOM 0 HG23 ILE A 89 0.890 -5.802 -5.930 1.00 1.00 H new ATOM 0 HD11 ILE A 89 2.684 -2.520 -2.779 1.00 1.00 H new ATOM 0 HD12 ILE A 89 3.539 -2.273 -4.320 1.00 1.00 H new ATOM 0 HD13 ILE A 89 1.836 -1.783 -4.159 1.00 1.00 H new ATOM 1364 N ARG A 90 4.680 -2.700 -7.121 1.00 1.00 N ATOM 1365 CA ARG A 90 5.812 -1.787 -6.956 1.00 1.00 C ATOM 1366 C ARG A 90 5.315 -0.355 -6.885 1.00 1.00 C ATOM 1367 O ARG A 90 4.344 0.010 -7.550 1.00 1.00 O ATOM 1368 CB ARG A 90 6.771 -1.931 -8.134 1.00 1.00 C ATOM 1369 CG ARG A 90 7.280 -3.367 -8.191 1.00 1.00 C ATOM 1370 CD ARG A 90 8.244 -3.511 -9.362 1.00 1.00 C ATOM 1371 NE ARG A 90 8.743 -4.884 -9.429 1.00 1.00 N ATOM 1372 CZ ARG A 90 8.116 -5.820 -10.141 1.00 1.00 C ATOM 1373 NH1 ARG A 90 7.071 -5.512 -10.860 1.00 1.00 N ATOM 1374 NH2 ARG A 90 8.555 -7.048 -10.126 1.00 1.00 N ATOM 0 H ARG A 90 4.110 -2.521 -7.948 1.00 1.00 H new ATOM 0 HA ARG A 90 6.333 -2.036 -6.032 1.00 1.00 H new ATOM 0 HB2 ARG A 90 6.265 -1.674 -9.065 1.00 1.00 H new ATOM 0 HB3 ARG A 90 7.607 -1.240 -8.025 1.00 1.00 H new ATOM 0 HG2 ARG A 90 7.781 -3.625 -7.258 1.00 1.00 H new ATOM 0 HG3 ARG A 90 6.444 -4.057 -8.305 1.00 1.00 H new ATOM 0 HD2 ARG A 90 7.740 -3.252 -10.293 1.00 1.00 H new ATOM 0 HD3 ARG A 90 9.077 -2.817 -9.246 1.00 1.00 H new ATOM 0 HE ARG A 90 9.591 -5.131 -8.919 1.00 1.00 H new ATOM 0 HH11 ARG A 90 6.730 -4.551 -10.879 1.00 1.00 H new ATOM 0 HH12 ARG A 90 6.595 -6.233 -11.403 1.00 1.00 H new ATOM 0 HH21 ARG A 90 9.376 -7.289 -9.571 1.00 1.00 H new ATOM 0 HH22 ARG A 90 8.078 -7.767 -10.670 1.00 1.00 H new ATOM 1388 N VAL A 91 5.975 0.454 -6.060 1.00 1.00 N ATOM 1389 CA VAL A 91 5.583 1.856 -5.884 1.00 1.00 C ATOM 1390 C VAL A 91 6.749 2.789 -6.192 1.00 1.00 C ATOM 1391 O VAL A 91 7.878 2.557 -5.756 1.00 1.00 O ATOM 1392 CB VAL A 91 5.119 2.076 -4.444 1.00 1.00 C ATOM 1393 CG1 VAL A 91 4.687 3.533 -4.253 1.00 1.00 C ATOM 1394 CG2 VAL A 91 3.941 1.145 -4.147 1.00 1.00 C ATOM 0 H VAL A 91 6.781 0.168 -5.504 1.00 1.00 H new ATOM 0 HA VAL A 91 4.770 2.079 -6.575 1.00 1.00 H new ATOM 0 HB VAL A 91 5.940 1.858 -3.761 1.00 1.00 H new ATOM 0 HG11 VAL A 91 4.358 3.683 -3.225 1.00 1.00 H new ATOM 0 HG12 VAL A 91 5.529 4.193 -4.464 1.00 1.00 H new ATOM 0 HG13 VAL A 91 3.867 3.762 -4.934 1.00 1.00 H new ATOM 0 HG21 VAL A 91 3.606 1.298 -3.121 1.00 1.00 H new ATOM 0 HG22 VAL A 91 3.122 1.364 -4.832 1.00 1.00 H new ATOM 0 HG23 VAL A 91 4.255 0.109 -4.276 1.00 1.00 H new ATOM 1404 N GLN A 92 6.462 3.853 -6.941 1.00 1.00 N ATOM 1405 CA GLN A 92 7.482 4.835 -7.306 1.00 1.00 C ATOM 1406 C GLN A 92 6.934 6.250 -7.163 1.00 1.00 C ATOM 1407 O GLN A 92 5.733 6.481 -7.303 1.00 1.00 O ATOM 1408 CB GLN A 92 7.932 4.612 -8.751 1.00 1.00 C ATOM 1409 CG GLN A 92 8.292 3.139 -8.957 1.00 1.00 C ATOM 1410 CD GLN A 92 7.022 2.306 -9.105 1.00 1.00 C ATOM 1411 OE1 GLN A 92 6.922 1.166 -8.476 1.00 1.00 O flip ATOM 1412 NE2 GLN A 92 6.098 2.701 -9.816 1.00 1.00 N flip ATOM 0 H GLN A 92 5.532 4.057 -7.307 1.00 1.00 H new ATOM 0 HA GLN A 92 8.333 4.711 -6.636 1.00 1.00 H new ATOM 0 HB2 GLN A 92 7.137 4.902 -9.438 1.00 1.00 H new ATOM 0 HB3 GLN A 92 8.793 5.242 -8.975 1.00 1.00 H new ATOM 0 HG2 GLN A 92 8.914 3.029 -9.845 1.00 1.00 H new ATOM 0 HG3 GLN A 92 8.877 2.778 -8.111 1.00 1.00 H new ATOM 0 HE21 GLN A 92 6.177 3.592 -10.307 1.00 1.00 H new ATOM 0 HE22 GLN A 92 5.253 2.138 -9.914 1.00 1.00 H new ATOM 1421 N GLY A 93 7.827 7.195 -6.889 1.00 1.00 N ATOM 1422 CA GLY A 93 7.428 8.589 -6.734 1.00 1.00 C ATOM 1423 C GLY A 93 8.644 9.507 -6.789 1.00 1.00 C ATOM 1424 O GLY A 93 9.775 9.067 -6.605 1.00 1.00 O ATOM 0 H GLY A 93 8.825 7.023 -6.770 1.00 1.00 H new ATOM 0 HA2 GLY A 93 6.725 8.861 -7.521 1.00 1.00 H new ATOM 0 HA3 GLY A 93 6.909 8.721 -5.784 1.00 1.00 H new ATOM 1483 N ARG A 97 11.777 6.701 -3.263 1.00 1.00 N ATOM 1484 CA ARG A 97 12.517 5.801 -4.149 1.00 1.00 C ATOM 1485 C ARG A 97 11.708 4.538 -4.435 1.00 1.00 C ATOM 1486 O ARG A 97 10.759 4.225 -3.717 1.00 1.00 O ATOM 1487 CB ARG A 97 13.849 5.409 -3.508 1.00 1.00 C ATOM 1488 CG ARG A 97 14.743 6.643 -3.389 1.00 1.00 C ATOM 1489 CD ARG A 97 16.052 6.255 -2.699 1.00 1.00 C ATOM 1490 NE ARG A 97 15.810 5.959 -1.293 1.00 1.00 N ATOM 1491 CZ ARG A 97 16.766 5.452 -0.522 1.00 1.00 C ATOM 1492 NH1 ARG A 97 17.929 5.154 -1.034 1.00 1.00 N ATOM 1493 NH2 ARG A 97 16.537 5.243 0.746 1.00 1.00 N ATOM 0 HA ARG A 97 12.701 6.326 -5.086 1.00 1.00 H new ATOM 0 HB2 ARG A 97 13.677 4.976 -2.523 1.00 1.00 H new ATOM 0 HB3 ARG A 97 14.343 4.646 -4.110 1.00 1.00 H new ATOM 0 HG2 ARG A 97 14.948 7.054 -4.377 1.00 1.00 H new ATOM 0 HG3 ARG A 97 14.235 7.421 -2.819 1.00 1.00 H new ATOM 0 HD2 ARG A 97 16.488 5.386 -3.192 1.00 1.00 H new ATOM 0 HD3 ARG A 97 16.774 7.067 -2.788 1.00 1.00 H new ATOM 0 HE ARG A 97 14.890 6.144 -0.893 1.00 1.00 H new ATOM 0 HH11 ARG A 97 18.104 5.310 -2.027 1.00 1.00 H new ATOM 0 HH12 ARG A 97 18.662 4.765 -0.442 1.00 1.00 H new ATOM 0 HH21 ARG A 97 15.625 5.469 1.144 1.00 1.00 H new ATOM 0 HH22 ARG A 97 17.270 4.854 1.339 1.00 1.00 H new ATOM 1507 N GLU A 98 12.090 3.819 -5.486 1.00 1.00 N ATOM 1508 CA GLU A 98 11.392 2.592 -5.850 1.00 1.00 C ATOM 1509 C GLU A 98 11.511 1.552 -4.739 1.00 1.00 C ATOM 1510 O GLU A 98 12.612 1.194 -4.322 1.00 1.00 O ATOM 1511 CB GLU A 98 11.971 2.026 -7.154 1.00 1.00 C ATOM 1512 CG GLU A 98 11.234 0.737 -7.538 1.00 1.00 C ATOM 1513 CD GLU A 98 11.736 0.232 -8.886 1.00 1.00 C ATOM 1514 OE1 GLU A 98 12.374 1.000 -9.585 1.00 1.00 O ATOM 1515 OE2 GLU A 98 11.475 -0.920 -9.197 1.00 1.00 O ATOM 0 H GLU A 98 12.871 4.062 -6.095 1.00 1.00 H new ATOM 0 HA GLU A 98 10.338 2.827 -5.994 1.00 1.00 H new ATOM 0 HB2 GLU A 98 11.876 2.761 -7.953 1.00 1.00 H new ATOM 0 HB3 GLU A 98 13.035 1.824 -7.032 1.00 1.00 H new ATOM 0 HG2 GLU A 98 11.392 -0.024 -6.773 1.00 1.00 H new ATOM 0 HG3 GLU A 98 10.161 0.922 -7.586 1.00 1.00 H new ATOM 1522 N ARG A 99 10.360 1.063 -4.276 1.00 1.00 N ATOM 1523 CA ARG A 99 10.309 0.051 -3.220 1.00 1.00 C ATOM 1524 C ARG A 99 9.374 -1.082 -3.650 1.00 1.00 C ATOM 1525 O ARG A 99 8.266 -0.829 -4.120 1.00 1.00 O ATOM 1526 CB ARG A 99 9.789 0.684 -1.925 1.00 1.00 C ATOM 1527 CG ARG A 99 10.788 1.726 -1.421 1.00 1.00 C ATOM 1528 CD ARG A 99 10.214 2.430 -0.193 1.00 1.00 C ATOM 1529 NE ARG A 99 9.063 3.245 -0.571 1.00 1.00 N ATOM 1530 CZ ARG A 99 8.247 3.752 0.346 1.00 1.00 C ATOM 1531 NH1 ARG A 99 8.472 3.535 1.613 1.00 1.00 N ATOM 1532 NH2 ARG A 99 7.220 4.469 -0.019 1.00 1.00 N ATOM 0 H ARG A 99 9.444 1.354 -4.619 1.00 1.00 H new ATOM 0 HA ARG A 99 11.309 -0.347 -3.048 1.00 1.00 H new ATOM 0 HB2 ARG A 99 8.820 1.151 -2.101 1.00 1.00 H new ATOM 0 HB3 ARG A 99 9.639 -0.086 -1.168 1.00 1.00 H new ATOM 0 HG2 ARG A 99 11.734 1.246 -1.169 1.00 1.00 H new ATOM 0 HG3 ARG A 99 10.998 2.453 -2.205 1.00 1.00 H new ATOM 0 HD2 ARG A 99 9.917 1.692 0.553 1.00 1.00 H new ATOM 0 HD3 ARG A 99 10.978 3.057 0.266 1.00 1.00 H new ATOM 0 HE ARG A 99 8.882 3.428 -1.558 1.00 1.00 H new ATOM 0 HH11 ARG A 99 9.275 2.976 1.900 1.00 1.00 H new ATOM 0 HH12 ARG A 99 7.845 3.925 2.316 1.00 1.00 H new ATOM 0 HH21 ARG A 99 7.044 4.640 -1.009 1.00 1.00 H new ATOM 0 HH22 ARG A 99 6.593 4.858 0.686 1.00 1.00 H new ATOM 1546 N ARG A 100 9.828 -2.329 -3.503 1.00 1.00 N ATOM 1547 CA ARG A 100 9.013 -3.483 -3.899 1.00 1.00 C ATOM 1548 C ARG A 100 8.174 -3.989 -2.730 1.00 1.00 C ATOM 1549 O ARG A 100 8.553 -3.837 -1.569 1.00 1.00 O ATOM 1550 CB ARG A 100 9.909 -4.608 -4.419 1.00 1.00 C ATOM 1551 CG ARG A 100 10.650 -4.125 -5.664 1.00 1.00 C ATOM 1552 CD ARG A 100 11.598 -5.219 -6.157 1.00 1.00 C ATOM 1553 NE ARG A 100 10.836 -6.383 -6.599 1.00 1.00 N ATOM 1554 CZ ARG A 100 11.449 -7.451 -7.100 1.00 1.00 C ATOM 1555 NH1 ARG A 100 12.725 -7.404 -7.372 1.00 1.00 N ATOM 1556 NH2 ARG A 100 10.766 -8.534 -7.355 1.00 1.00 N ATOM 0 H ARG A 100 10.743 -2.565 -3.118 1.00 1.00 H new ATOM 0 HA ARG A 100 8.339 -3.163 -4.693 1.00 1.00 H new ATOM 0 HB2 ARG A 100 10.622 -4.907 -3.650 1.00 1.00 H new ATOM 0 HB3 ARG A 100 9.309 -5.487 -4.656 1.00 1.00 H new ATOM 0 HG2 ARG A 100 9.936 -3.869 -6.447 1.00 1.00 H new ATOM 0 HG3 ARG A 100 11.212 -3.219 -5.436 1.00 1.00 H new ATOM 0 HD2 ARG A 100 12.207 -4.840 -6.978 1.00 1.00 H new ATOM 0 HD3 ARG A 100 12.282 -5.505 -5.358 1.00 1.00 H new ATOM 0 HE ARG A 100 9.819 -6.377 -6.522 1.00 1.00 H new ATOM 0 HH11 ARG A 100 13.252 -6.548 -7.200 1.00 1.00 H new ATOM 0 HH12 ARG A 100 13.195 -8.224 -7.756 1.00 1.00 H new ATOM 0 HH21 ARG A 100 9.763 -8.560 -7.170 1.00 1.00 H new ATOM 0 HH22 ARG A 100 11.235 -9.354 -7.739 1.00 1.00 H new ATOM 1570 N PHE A 101 7.026 -4.593 -3.048 1.00 1.00 N ATOM 1571 CA PHE A 101 6.127 -5.119 -2.018 1.00 1.00 C ATOM 1572 C PHE A 101 5.485 -6.420 -2.493 1.00 1.00 C ATOM 1573 O PHE A 101 5.339 -6.647 -3.694 1.00 1.00 O ATOM 1574 CB PHE A 101 5.031 -4.096 -1.709 1.00 1.00 C ATOM 1575 CG PHE A 101 5.643 -2.833 -1.149 1.00 1.00 C ATOM 1576 CD1 PHE A 101 6.057 -2.785 0.187 1.00 1.00 C ATOM 1577 CD2 PHE A 101 5.787 -1.704 -1.967 1.00 1.00 C ATOM 1578 CE1 PHE A 101 6.615 -1.611 0.706 1.00 1.00 C ATOM 1579 CE2 PHE A 101 6.345 -0.530 -1.446 1.00 1.00 C ATOM 1580 CZ PHE A 101 6.759 -0.482 -0.111 1.00 1.00 C ATOM 0 H PHE A 101 6.699 -4.729 -4.004 1.00 1.00 H new ATOM 0 HA PHE A 101 6.707 -5.313 -1.116 1.00 1.00 H new ATOM 0 HB2 PHE A 101 4.470 -3.867 -2.615 1.00 1.00 H new ATOM 0 HB3 PHE A 101 4.323 -4.515 -0.994 1.00 1.00 H new ATOM 0 HD1 PHE A 101 5.946 -3.654 0.818 1.00 1.00 H new ATOM 0 HD2 PHE A 101 5.468 -1.739 -2.998 1.00 1.00 H new ATOM 0 HE1 PHE A 101 6.935 -1.575 1.737 1.00 1.00 H new ATOM 0 HE2 PHE A 101 6.456 0.340 -2.076 1.00 1.00 H new ATOM 0 HZ PHE A 101 7.189 0.424 0.290 1.00 1.00 H new ATOM 1590 N GLU A 102 5.102 -7.274 -1.543 1.00 1.00 N ATOM 1591 CA GLU A 102 4.476 -8.557 -1.873 1.00 1.00 C ATOM 1592 C GLU A 102 3.317 -8.857 -0.926 1.00 1.00 C ATOM 1593 O GLU A 102 3.372 -8.541 0.260 1.00 1.00 O ATOM 1594 CB GLU A 102 5.519 -9.674 -1.789 1.00 1.00 C ATOM 1595 CG GLU A 102 4.887 -11.013 -2.187 1.00 1.00 C ATOM 1596 CD GLU A 102 5.942 -12.114 -2.161 1.00 1.00 C ATOM 1597 OE1 GLU A 102 7.016 -11.868 -1.636 1.00 1.00 O ATOM 1598 OE2 GLU A 102 5.660 -13.189 -2.666 1.00 1.00 O ATOM 0 H GLU A 102 5.213 -7.103 -0.544 1.00 1.00 H new ATOM 0 HA GLU A 102 4.082 -8.500 -2.888 1.00 1.00 H new ATOM 0 HB2 GLU A 102 6.359 -9.449 -2.447 1.00 1.00 H new ATOM 0 HB3 GLU A 102 5.916 -9.737 -0.776 1.00 1.00 H new ATOM 0 HG2 GLU A 102 4.075 -11.259 -1.503 1.00 1.00 H new ATOM 0 HG3 GLU A 102 4.452 -10.938 -3.184 1.00 1.00 H new ATOM 1605 N ILE A 103 2.267 -9.477 -1.467 1.00 1.00 N ATOM 1606 CA ILE A 103 1.086 -9.837 -0.681 1.00 1.00 C ATOM 1607 C ILE A 103 0.786 -11.329 -0.878 1.00 1.00 C ATOM 1608 O ILE A 103 0.081 -11.693 -1.818 1.00 1.00 O ATOM 1609 CB ILE A 103 -0.126 -9.016 -1.141 1.00 1.00 C ATOM 1610 CG1 ILE A 103 0.203 -7.504 -1.101 1.00 1.00 C ATOM 1611 CG2 ILE A 103 -1.322 -9.324 -0.232 1.00 1.00 C ATOM 1612 CD1 ILE A 103 0.040 -6.930 0.319 1.00 1.00 C ATOM 0 H ILE A 103 2.211 -9.741 -2.451 1.00 1.00 H new ATOM 0 HA ILE A 103 1.280 -9.629 0.371 1.00 1.00 H new ATOM 0 HB ILE A 103 -0.375 -9.285 -2.168 1.00 1.00 H new ATOM 0 HG12 ILE A 103 1.225 -7.343 -1.445 1.00 1.00 H new ATOM 0 HG13 ILE A 103 -0.452 -6.969 -1.789 1.00 1.00 H new ATOM 0 HG21 ILE A 103 -2.185 -8.742 -0.556 1.00 1.00 H new ATOM 0 HG22 ILE A 103 -1.559 -10.386 -0.289 1.00 1.00 H new ATOM 0 HG23 ILE A 103 -1.074 -9.063 0.797 1.00 1.00 H new ATOM 0 HD11 ILE A 103 0.279 -5.867 0.311 1.00 1.00 H new ATOM 0 HD12 ILE A 103 -0.989 -7.068 0.652 1.00 1.00 H new ATOM 0 HD13 ILE A 103 0.714 -7.448 1.001 1.00 1.00 H new ATOM 1624 N PRO A 104 1.319 -12.209 -0.048 1.00 1.00 N ATOM 1625 CA PRO A 104 1.094 -13.678 -0.210 1.00 1.00 C ATOM 1626 C PRO A 104 -0.348 -14.090 0.088 1.00 1.00 C ATOM 1627 O PRO A 104 -0.780 -15.177 -0.296 1.00 1.00 O ATOM 1628 CB PRO A 104 2.089 -14.318 0.773 1.00 1.00 C ATOM 1629 CG PRO A 104 2.336 -13.276 1.817 1.00 1.00 C ATOM 1630 CD PRO A 104 2.178 -11.918 1.123 1.00 1.00 C ATOM 0 HA PRO A 104 1.253 -14.002 -1.238 1.00 1.00 H new ATOM 0 HB2 PRO A 104 1.678 -15.227 1.213 1.00 1.00 H new ATOM 0 HB3 PRO A 104 3.014 -14.598 0.270 1.00 1.00 H new ATOM 0 HG2 PRO A 104 1.628 -13.376 2.640 1.00 1.00 H new ATOM 0 HG3 PRO A 104 3.335 -13.381 2.241 1.00 1.00 H new ATOM 0 HD2 PRO A 104 1.716 -11.184 1.784 1.00 1.00 H new ATOM 0 HD3 PRO A 104 3.142 -11.511 0.819 1.00 1.00 H new ATOM 1638 N ASP A 105 -1.091 -13.220 0.763 1.00 1.00 N ATOM 1639 CA ASP A 105 -2.483 -13.514 1.090 1.00 1.00 C ATOM 1640 C ASP A 105 -3.377 -13.089 -0.067 1.00 1.00 C ATOM 1641 O ASP A 105 -3.584 -11.902 -0.299 1.00 1.00 O ATOM 1642 CB ASP A 105 -2.881 -12.774 2.368 1.00 1.00 C ATOM 1643 CG ASP A 105 -2.212 -13.426 3.575 1.00 1.00 C ATOM 1644 OD1 ASP A 105 -1.717 -14.532 3.428 1.00 1.00 O ATOM 1645 OD2 ASP A 105 -2.205 -12.810 4.627 1.00 1.00 O ATOM 0 H ASP A 105 -0.758 -12.314 1.092 1.00 1.00 H new ATOM 0 HA ASP A 105 -2.601 -14.585 1.255 1.00 1.00 H new ATOM 0 HB2 ASP A 105 -2.586 -11.727 2.299 1.00 1.00 H new ATOM 0 HB3 ASP A 105 -3.964 -12.793 2.487 1.00 1.00 H new ATOM 1650 N GLU A 106 -3.878 -14.073 -0.805 1.00 1.00 N ATOM 1651 CA GLU A 106 -4.721 -13.808 -1.967 1.00 1.00 C ATOM 1652 C GLU A 106 -6.015 -13.096 -1.589 1.00 1.00 C ATOM 1653 O GLU A 106 -6.324 -12.043 -2.138 1.00 1.00 O ATOM 1654 CB GLU A 106 -5.049 -15.130 -2.667 1.00 1.00 C ATOM 1655 CG GLU A 106 -5.849 -14.862 -3.945 1.00 1.00 C ATOM 1656 CD GLU A 106 -6.108 -16.175 -4.676 1.00 1.00 C ATOM 1657 OE1 GLU A 106 -5.878 -17.215 -4.081 1.00 1.00 O ATOM 1658 OE2 GLU A 106 -6.530 -16.122 -5.819 1.00 1.00 O ATOM 0 H GLU A 106 -3.715 -15.063 -0.620 1.00 1.00 H new ATOM 0 HA GLU A 106 -4.167 -13.149 -2.636 1.00 1.00 H new ATOM 0 HB2 GLU A 106 -4.128 -15.661 -2.909 1.00 1.00 H new ATOM 0 HB3 GLU A 106 -5.621 -15.773 -1.998 1.00 1.00 H new ATOM 0 HG2 GLU A 106 -6.795 -14.379 -3.699 1.00 1.00 H new ATOM 0 HG3 GLU A 106 -5.301 -14.177 -4.592 1.00 1.00 H new ATOM 1665 N GLU A 107 -6.773 -13.669 -0.663 1.00 1.00 N ATOM 1666 CA GLU A 107 -8.037 -13.062 -0.262 1.00 1.00 C ATOM 1667 C GLU A 107 -7.832 -11.601 0.125 1.00 1.00 C ATOM 1668 O GLU A 107 -8.622 -10.735 -0.251 1.00 1.00 O ATOM 1669 CB GLU A 107 -8.660 -13.843 0.901 1.00 1.00 C ATOM 1670 CG GLU A 107 -7.745 -13.788 2.127 1.00 1.00 C ATOM 1671 CD GLU A 107 -8.298 -14.693 3.223 1.00 1.00 C ATOM 1672 OE1 GLU A 107 -8.807 -15.751 2.890 1.00 1.00 O ATOM 1673 OE2 GLU A 107 -8.205 -14.315 4.380 1.00 1.00 O ATOM 0 H GLU A 107 -6.541 -14.538 -0.182 1.00 1.00 H new ATOM 0 HA GLU A 107 -8.721 -13.099 -1.110 1.00 1.00 H new ATOM 0 HB2 GLU A 107 -9.636 -13.425 1.148 1.00 1.00 H new ATOM 0 HB3 GLU A 107 -8.823 -14.880 0.606 1.00 1.00 H new ATOM 0 HG2 GLU A 107 -6.738 -14.104 1.855 1.00 1.00 H new ATOM 0 HG3 GLU A 107 -7.671 -12.763 2.491 1.00 1.00 H new ATOM 1680 N HIS A 108 -6.766 -11.331 0.865 1.00 1.00 N ATOM 1681 CA HIS A 108 -6.465 -9.969 1.278 1.00 1.00 C ATOM 1682 C HIS A 108 -6.010 -9.134 0.083 1.00 1.00 C ATOM 1683 O HIS A 108 -6.335 -7.952 -0.021 1.00 1.00 O ATOM 1684 CB HIS A 108 -5.361 -9.978 2.337 1.00 1.00 C ATOM 1685 CG HIS A 108 -5.880 -10.523 3.645 1.00 1.00 C ATOM 1686 ND1 HIS A 108 -7.149 -10.805 4.100 1.00 1.00 N flip ATOM 1687 CD2 HIS A 108 -5.029 -10.844 4.690 1.00 1.00 C flip ATOM 1688 CE1 HIS A 108 -7.081 -11.290 5.403 1.00 1.00 C flip ATOM 1689 NE2 HIS A 108 -5.782 -11.294 5.709 1.00 1.00 N flip ATOM 0 H HIS A 108 -6.100 -12.032 1.189 1.00 1.00 H new ATOM 0 HA HIS A 108 -7.371 -9.528 1.695 1.00 1.00 H new ATOM 0 HB2 HIS A 108 -4.524 -10.584 1.991 1.00 1.00 H new ATOM 0 HB3 HIS A 108 -4.983 -8.966 2.484 1.00 1.00 H new ATOM 0 HD2 HIS A 108 -3.953 -10.750 4.687 1.00 1.00 H new ATOM 0 HE1 HIS A 108 -7.904 -11.597 6.032 1.00 1.00 H new ATOM 0 HE2 HIS A 108 -5.406 -11.601 6.606 1.00 1.00 H new ATOM 1697 N CYS A 109 -5.249 -9.757 -0.812 1.00 1.00 N ATOM 1698 CA CYS A 109 -4.738 -9.059 -1.988 1.00 1.00 C ATOM 1699 C CYS A 109 -5.880 -8.511 -2.833 1.00 1.00 C ATOM 1700 O CYS A 109 -5.762 -7.445 -3.431 1.00 1.00 O ATOM 1701 CB CYS A 109 -3.882 -10.011 -2.838 1.00 1.00 C ATOM 1702 SG CYS A 109 -2.864 -9.051 -3.988 1.00 1.00 S ATOM 0 H CYS A 109 -4.974 -10.737 -0.747 1.00 1.00 H new ATOM 0 HA CYS A 109 -4.124 -8.225 -1.646 1.00 1.00 H new ATOM 0 HB2 CYS A 109 -3.246 -10.618 -2.193 1.00 1.00 H new ATOM 0 HB3 CYS A 109 -4.523 -10.698 -3.391 1.00 1.00 H new ATOM 1707 N LEU A 110 -6.979 -9.248 -2.892 1.00 1.00 N ATOM 1708 CA LEU A 110 -8.117 -8.815 -3.689 1.00 1.00 C ATOM 1709 C LEU A 110 -8.697 -7.515 -3.167 1.00 1.00 C ATOM 1710 O LEU A 110 -9.020 -6.617 -3.944 1.00 1.00 O ATOM 1711 CB LEU A 110 -9.215 -9.874 -3.655 1.00 1.00 C ATOM 1712 CG LEU A 110 -8.727 -11.175 -4.298 1.00 1.00 C ATOM 1713 CD1 LEU A 110 -9.826 -12.233 -4.164 1.00 1.00 C ATOM 1714 CD2 LEU A 110 -8.403 -10.943 -5.785 1.00 1.00 C ATOM 0 H LEU A 110 -7.107 -10.135 -2.406 1.00 1.00 H new ATOM 0 HA LEU A 110 -7.760 -8.665 -4.708 1.00 1.00 H new ATOM 0 HB2 LEU A 110 -9.515 -10.062 -2.624 1.00 1.00 H new ATOM 0 HB3 LEU A 110 -10.096 -9.509 -4.183 1.00 1.00 H new ATOM 0 HG LEU A 110 -7.821 -11.514 -3.795 1.00 1.00 H new ATOM 0 HD11 LEU A 110 -9.491 -13.165 -4.618 1.00 1.00 H new ATOM 0 HD12 LEU A 110 -10.043 -12.401 -3.109 1.00 1.00 H new ATOM 0 HD13 LEU A 110 -10.728 -11.887 -4.669 1.00 1.00 H new ATOM 0 HD21 LEU A 110 -8.057 -11.875 -6.232 1.00 1.00 H new ATOM 0 HD22 LEU A 110 -9.299 -10.603 -6.304 1.00 1.00 H new ATOM 0 HD23 LEU A 110 -7.623 -10.187 -5.874 1.00 1.00 H new ATOM 1726 N LYS A 111 -8.848 -7.420 -1.856 1.00 1.00 N ATOM 1727 CA LYS A 111 -9.411 -6.216 -1.277 1.00 1.00 C ATOM 1728 C LYS A 111 -8.476 -5.036 -1.491 1.00 1.00 C ATOM 1729 O LYS A 111 -8.903 -3.941 -1.852 1.00 1.00 O ATOM 1730 CB LYS A 111 -9.651 -6.405 0.224 1.00 1.00 C ATOM 1731 CG LYS A 111 -10.763 -7.426 0.439 1.00 1.00 C ATOM 1732 CD LYS A 111 -10.976 -7.642 1.936 1.00 1.00 C ATOM 1733 CE LYS A 111 -12.078 -8.680 2.143 1.00 1.00 C ATOM 1734 NZ LYS A 111 -12.280 -8.913 3.599 1.00 1.00 N ATOM 0 H LYS A 111 -8.594 -8.146 -1.186 1.00 1.00 H new ATOM 0 HA LYS A 111 -10.362 -6.016 -1.771 1.00 1.00 H new ATOM 0 HB2 LYS A 111 -8.735 -6.742 0.709 1.00 1.00 H new ATOM 0 HB3 LYS A 111 -9.923 -5.454 0.682 1.00 1.00 H new ATOM 0 HG2 LYS A 111 -11.686 -7.077 -0.023 1.00 1.00 H new ATOM 0 HG3 LYS A 111 -10.503 -8.369 -0.042 1.00 1.00 H new ATOM 0 HD2 LYS A 111 -10.050 -7.979 2.402 1.00 1.00 H new ATOM 0 HD3 LYS A 111 -11.250 -6.702 2.416 1.00 1.00 H new ATOM 0 HE2 LYS A 111 -13.006 -8.335 1.688 1.00 1.00 H new ATOM 0 HE3 LYS A 111 -11.809 -9.614 1.649 1.00 1.00 H new ATOM 0 HZ1 LYS A 111 -13.030 -9.620 3.737 1.00 1.00 H new ATOM 0 HZ2 LYS A 111 -11.395 -9.261 4.021 1.00 1.00 H new ATOM 0 HZ3 LYS A 111 -12.556 -8.022 4.058 1.00 1.00 H new ATOM 1748 N PHE A 112 -7.194 -5.280 -1.251 1.00 1.00 N ATOM 1749 CA PHE A 112 -6.178 -4.247 -1.399 1.00 1.00 C ATOM 1750 C PHE A 112 -6.124 -3.730 -2.832 1.00 1.00 C ATOM 1751 O PHE A 112 -6.134 -2.521 -3.066 1.00 1.00 O ATOM 1752 CB PHE A 112 -4.815 -4.831 -1.000 1.00 1.00 C ATOM 1753 CG PHE A 112 -3.692 -3.890 -1.385 1.00 1.00 C ATOM 1754 CD1 PHE A 112 -3.539 -2.670 -0.717 1.00 1.00 C ATOM 1755 CD2 PHE A 112 -2.799 -4.243 -2.408 1.00 1.00 C ATOM 1756 CE1 PHE A 112 -2.497 -1.803 -1.074 1.00 1.00 C ATOM 1757 CE2 PHE A 112 -1.760 -3.377 -2.763 1.00 1.00 C ATOM 1758 CZ PHE A 112 -1.608 -2.157 -2.096 1.00 1.00 C ATOM 0 H PHE A 112 -6.833 -6.186 -0.952 1.00 1.00 H new ATOM 0 HA PHE A 112 -6.430 -3.407 -0.751 1.00 1.00 H new ATOM 0 HB2 PHE A 112 -4.792 -5.011 0.075 1.00 1.00 H new ATOM 0 HB3 PHE A 112 -4.671 -5.795 -1.488 1.00 1.00 H new ATOM 0 HD1 PHE A 112 -4.223 -2.397 0.073 1.00 1.00 H new ATOM 0 HD2 PHE A 112 -2.914 -5.186 -2.922 1.00 1.00 H new ATOM 0 HE1 PHE A 112 -2.380 -0.860 -0.560 1.00 1.00 H new ATOM 0 HE2 PHE A 112 -1.075 -3.650 -3.552 1.00 1.00 H new ATOM 0 HZ PHE A 112 -0.805 -1.488 -2.369 1.00 1.00 H new ATOM 1768 N LEU A 113 -6.051 -4.647 -3.787 1.00 1.00 N ATOM 1769 CA LEU A 113 -5.977 -4.252 -5.184 1.00 1.00 C ATOM 1770 C LEU A 113 -7.288 -3.624 -5.651 1.00 1.00 C ATOM 1771 O LEU A 113 -7.285 -2.634 -6.379 1.00 1.00 O ATOM 1772 CB LEU A 113 -5.634 -5.469 -6.046 1.00 1.00 C ATOM 1773 CG LEU A 113 -4.231 -5.982 -5.680 1.00 1.00 C ATOM 1774 CD1 LEU A 113 -3.961 -7.286 -6.436 1.00 1.00 C ATOM 1775 CD2 LEU A 113 -3.157 -4.933 -6.043 1.00 1.00 C ATOM 0 H LEU A 113 -6.042 -5.654 -3.623 1.00 1.00 H new ATOM 0 HA LEU A 113 -5.193 -3.502 -5.289 1.00 1.00 H new ATOM 0 HB2 LEU A 113 -6.372 -6.256 -5.891 1.00 1.00 H new ATOM 0 HB3 LEU A 113 -5.670 -5.201 -7.102 1.00 1.00 H new ATOM 0 HG LEU A 113 -4.186 -6.161 -4.606 1.00 1.00 H new ATOM 0 HD11 LEU A 113 -2.968 -7.655 -6.181 1.00 1.00 H new ATOM 0 HD12 LEU A 113 -4.707 -8.030 -6.157 1.00 1.00 H new ATOM 0 HD13 LEU A 113 -4.016 -7.102 -7.509 1.00 1.00 H new ATOM 0 HD21 LEU A 113 -2.171 -5.314 -5.777 1.00 1.00 H new ATOM 0 HD22 LEU A 113 -3.191 -4.733 -7.114 1.00 1.00 H new ATOM 0 HD23 LEU A 113 -3.349 -4.011 -5.495 1.00 1.00 H new ATOM 1787 N SER A 114 -8.407 -4.208 -5.237 1.00 1.00 N ATOM 1788 CA SER A 114 -9.716 -3.694 -5.632 1.00 1.00 C ATOM 1789 C SER A 114 -9.953 -2.284 -5.092 1.00 1.00 C ATOM 1790 O SER A 114 -10.432 -1.409 -5.813 1.00 1.00 O ATOM 1791 CB SER A 114 -10.815 -4.622 -5.117 1.00 1.00 C ATOM 1792 OG SER A 114 -12.070 -3.959 -5.205 1.00 1.00 O ATOM 0 H SER A 114 -8.436 -5.030 -4.634 1.00 1.00 H new ATOM 0 HA SER A 114 -9.741 -3.652 -6.721 1.00 1.00 H new ATOM 0 HB2 SER A 114 -10.835 -5.541 -5.703 1.00 1.00 H new ATOM 0 HB3 SER A 114 -10.613 -4.906 -4.084 1.00 1.00 H new ATOM 0 HG SER A 114 -12.777 -4.553 -4.877 1.00 1.00 H new ATOM 1798 N ALA A 115 -9.634 -2.076 -3.817 1.00 1.00 N ATOM 1799 CA ALA A 115 -9.840 -0.772 -3.194 1.00 1.00 C ATOM 1800 C ALA A 115 -8.875 0.276 -3.752 1.00 1.00 C ATOM 1801 O ALA A 115 -9.290 1.370 -4.130 1.00 1.00 O ATOM 1802 CB ALA A 115 -9.672 -0.893 -1.671 1.00 1.00 C ATOM 0 H ALA A 115 -9.236 -2.785 -3.201 1.00 1.00 H new ATOM 0 HA ALA A 115 -10.853 -0.442 -3.423 1.00 1.00 H new ATOM 0 HB1 ALA A 115 -9.826 0.082 -1.209 1.00 1.00 H new ATOM 0 HB2 ALA A 115 -10.403 -1.600 -1.279 1.00 1.00 H new ATOM 0 HB3 ALA A 115 -8.667 -1.247 -1.443 1.00 1.00 H new ATOM 1808 N VAL A 116 -7.592 -0.063 -3.796 1.00 1.00 N ATOM 1809 CA VAL A 116 -6.583 0.865 -4.306 1.00 1.00 C ATOM 1810 C VAL A 116 -6.808 1.159 -5.787 1.00 1.00 C ATOM 1811 O VAL A 116 -6.738 2.311 -6.214 1.00 1.00 O ATOM 1812 CB VAL A 116 -5.182 0.277 -4.095 1.00 1.00 C ATOM 1813 CG1 VAL A 116 -4.138 1.136 -4.818 1.00 1.00 C ATOM 1814 CG2 VAL A 116 -4.867 0.255 -2.600 1.00 1.00 C ATOM 0 H VAL A 116 -7.226 -0.964 -3.489 1.00 1.00 H new ATOM 0 HA VAL A 116 -6.669 1.802 -3.756 1.00 1.00 H new ATOM 0 HB VAL A 116 -5.153 -0.736 -4.497 1.00 1.00 H new ATOM 0 HG11 VAL A 116 -3.146 0.711 -4.663 1.00 1.00 H new ATOM 0 HG12 VAL A 116 -4.360 1.158 -5.885 1.00 1.00 H new ATOM 0 HG13 VAL A 116 -4.164 2.151 -4.421 1.00 1.00 H new ATOM 0 HG21 VAL A 116 -3.872 -0.162 -2.444 1.00 1.00 H new ATOM 0 HG22 VAL A 116 -4.901 1.271 -2.206 1.00 1.00 H new ATOM 0 HG23 VAL A 116 -5.603 -0.359 -2.082 1.00 1.00 H new ATOM 1824 N LEU A 117 -7.069 0.117 -6.565 1.00 1.00 N ATOM 1825 CA LEU A 117 -7.291 0.288 -7.996 1.00 1.00 C ATOM 1826 C LEU A 117 -8.498 1.183 -8.246 1.00 1.00 C ATOM 1827 O LEU A 117 -8.436 2.127 -9.034 1.00 1.00 O ATOM 1828 CB LEU A 117 -7.534 -1.082 -8.638 1.00 1.00 C ATOM 1829 CG LEU A 117 -7.831 -0.932 -10.137 1.00 1.00 C ATOM 1830 CD1 LEU A 117 -6.665 -0.221 -10.840 1.00 1.00 C ATOM 1831 CD2 LEU A 117 -8.035 -2.323 -10.739 1.00 1.00 C ATOM 0 H LEU A 117 -7.132 -0.846 -6.235 1.00 1.00 H new ATOM 0 HA LEU A 117 -6.410 0.756 -8.435 1.00 1.00 H new ATOM 0 HB2 LEU A 117 -6.659 -1.716 -8.497 1.00 1.00 H new ATOM 0 HB3 LEU A 117 -8.370 -1.578 -8.144 1.00 1.00 H new ATOM 0 HG LEU A 117 -8.732 -0.334 -10.274 1.00 1.00 H new ATOM 0 HD11 LEU A 117 -6.887 -0.121 -11.902 1.00 1.00 H new ATOM 0 HD12 LEU A 117 -6.526 0.768 -10.403 1.00 1.00 H new ATOM 0 HD13 LEU A 117 -5.753 -0.805 -10.714 1.00 1.00 H new ATOM 0 HD21 LEU A 117 -8.247 -2.231 -11.804 1.00 1.00 H new ATOM 0 HD22 LEU A 117 -7.131 -2.916 -10.599 1.00 1.00 H new ATOM 0 HD23 LEU A 117 -8.872 -2.815 -10.244 1.00 1.00 H new ATOM 1843 N ALA A 118 -9.590 0.874 -7.564 1.00 1.00 N ATOM 1844 CA ALA A 118 -10.817 1.646 -7.704 1.00 1.00 C ATOM 1845 C ALA A 118 -10.609 3.075 -7.218 1.00 1.00 C ATOM 1846 O ALA A 118 -11.177 4.014 -7.768 1.00 1.00 O ATOM 1847 CB ALA A 118 -11.943 0.984 -6.906 1.00 1.00 C ATOM 0 H ALA A 118 -9.653 0.095 -6.908 1.00 1.00 H new ATOM 0 HA ALA A 118 -11.091 1.674 -8.759 1.00 1.00 H new ATOM 0 HB1 ALA A 118 -12.858 1.567 -7.015 1.00 1.00 H new ATOM 0 HB2 ALA A 118 -12.109 -0.026 -7.281 1.00 1.00 H new ATOM 0 HB3 ALA A 118 -11.665 0.939 -5.853 1.00 1.00 H new ATOM 1853 N ALA A 119 -9.796 3.231 -6.180 1.00 1.00 N ATOM 1854 CA ALA A 119 -9.531 4.551 -5.625 1.00 1.00 C ATOM 1855 C ALA A 119 -8.907 5.464 -6.676 1.00 1.00 C ATOM 1856 O ALA A 119 -9.259 6.639 -6.767 1.00 1.00 O ATOM 1857 CB ALA A 119 -8.588 4.436 -4.427 1.00 1.00 C ATOM 0 H ALA A 119 -9.313 2.466 -5.709 1.00 1.00 H new ATOM 0 HA ALA A 119 -10.479 4.982 -5.303 1.00 1.00 H new ATOM 0 HB1 ALA A 119 -8.396 5.428 -4.019 1.00 1.00 H new ATOM 0 HB2 ALA A 119 -9.047 3.811 -3.661 1.00 1.00 H new ATOM 0 HB3 ALA A 119 -7.648 3.986 -4.746 1.00 1.00 H new ATOM 1863 N GLN A 120 -7.982 4.924 -7.465 1.00 1.00 N ATOM 1864 CA GLN A 120 -7.326 5.720 -8.498 1.00 1.00 C ATOM 1865 C GLN A 120 -8.311 6.147 -9.578 1.00 1.00 C ATOM 1866 O GLN A 120 -8.327 7.302 -9.998 1.00 1.00 O ATOM 1867 CB GLN A 120 -6.181 4.931 -9.143 1.00 1.00 C ATOM 1868 CG GLN A 120 -5.023 4.806 -8.153 1.00 1.00 C ATOM 1869 CD GLN A 120 -3.869 4.045 -8.797 1.00 1.00 C ATOM 1870 OE1 GLN A 120 -4.024 2.883 -9.175 1.00 1.00 O ATOM 1871 NE2 GLN A 120 -2.713 4.636 -8.947 1.00 1.00 N ATOM 0 H GLN A 120 -7.673 3.953 -7.411 1.00 1.00 H new ATOM 0 HA GLN A 120 -6.927 6.612 -8.015 1.00 1.00 H new ATOM 0 HB2 GLN A 120 -6.529 3.941 -9.438 1.00 1.00 H new ATOM 0 HB3 GLN A 120 -5.845 5.434 -10.050 1.00 1.00 H new ATOM 0 HG2 GLN A 120 -4.689 5.796 -7.844 1.00 1.00 H new ATOM 0 HG3 GLN A 120 -5.356 4.287 -7.254 1.00 1.00 H new ATOM 0 HE21 GLN A 120 -2.588 5.598 -8.633 1.00 1.00 H new ATOM 0 HE22 GLN A 120 -1.936 4.135 -9.378 1.00 1.00 H new ATOM 1880 N LYS A 121 -9.122 5.212 -10.032 1.00 1.00 N ATOM 1881 CA LYS A 121 -10.102 5.507 -11.069 1.00 1.00 C ATOM 1882 C LYS A 121 -11.145 6.481 -10.549 1.00 1.00 C ATOM 1883 O LYS A 121 -11.559 7.409 -11.242 1.00 1.00 O ATOM 1884 CB LYS A 121 -10.805 4.221 -11.469 1.00 1.00 C ATOM 1885 CG LYS A 121 -9.802 3.263 -12.092 1.00 1.00 C ATOM 1886 CD LYS A 121 -10.477 1.912 -12.266 1.00 1.00 C ATOM 1887 CE LYS A 121 -9.477 0.913 -12.855 1.00 1.00 C ATOM 1888 NZ LYS A 121 -10.090 -0.444 -12.898 1.00 1.00 N ATOM 0 H LYS A 121 -9.126 4.246 -9.704 1.00 1.00 H new ATOM 0 HA LYS A 121 -9.587 5.947 -11.923 1.00 1.00 H new ATOM 0 HB2 LYS A 121 -11.268 3.761 -10.596 1.00 1.00 H new ATOM 0 HB3 LYS A 121 -11.605 4.437 -12.177 1.00 1.00 H new ATOM 0 HG2 LYS A 121 -9.461 3.644 -13.055 1.00 1.00 H new ATOM 0 HG3 LYS A 121 -8.922 3.169 -11.456 1.00 1.00 H new ATOM 0 HD2 LYS A 121 -10.845 1.551 -11.306 1.00 1.00 H new ATOM 0 HD3 LYS A 121 -11.342 2.007 -12.923 1.00 1.00 H new ATOM 0 HE2 LYS A 121 -9.186 1.223 -13.859 1.00 1.00 H new ATOM 0 HE3 LYS A 121 -8.569 0.894 -12.252 1.00 1.00 H new ATOM 0 HZ1 LYS A 121 -9.409 -1.120 -13.298 1.00 1.00 H new ATOM 0 HZ2 LYS A 121 -10.346 -0.740 -11.934 1.00 1.00 H new ATOM 0 HZ3 LYS A 121 -10.944 -0.421 -13.491 1.00 1.00 H new ATOM 1902 N ALA A 122 -11.581 6.228 -9.329 1.00 1.00 N ATOM 1903 CA ALA A 122 -12.608 7.051 -8.700 1.00 1.00 C ATOM 1904 C ALA A 122 -12.145 8.495 -8.515 1.00 1.00 C ATOM 1905 O ALA A 122 -12.865 9.432 -8.865 1.00 1.00 O ATOM 1906 CB ALA A 122 -12.981 6.450 -7.346 1.00 1.00 C ATOM 0 H ALA A 122 -11.242 5.460 -8.750 1.00 1.00 H new ATOM 0 HA ALA A 122 -13.478 7.065 -9.357 1.00 1.00 H new ATOM 0 HB1 ALA A 122 -13.748 7.064 -6.874 1.00 1.00 H new ATOM 0 HB2 ALA A 122 -13.362 5.439 -7.489 1.00 1.00 H new ATOM 0 HB3 ALA A 122 -12.099 6.418 -6.707 1.00 1.00 H new ATOM 1912 N GLN A 123 -10.953 8.675 -7.961 1.00 1.00 N ATOM 1913 CA GLN A 123 -10.427 10.018 -7.737 1.00 1.00 C ATOM 1914 C GLN A 123 -10.028 10.664 -9.059 1.00 1.00 C ATOM 1915 O GLN A 123 -10.254 11.855 -9.275 1.00 1.00 O ATOM 1916 CB GLN A 123 -9.222 9.967 -6.790 1.00 1.00 C ATOM 1917 CG GLN A 123 -8.029 9.332 -7.499 1.00 1.00 C ATOM 1918 CD GLN A 123 -6.924 9.030 -6.492 1.00 1.00 C ATOM 1919 OE1 GLN A 123 -6.986 8.024 -5.786 1.00 1.00 O ATOM 1920 NE2 GLN A 123 -5.914 9.848 -6.384 1.00 1.00 N ATOM 0 H GLN A 123 -10.337 7.919 -7.661 1.00 1.00 H new ATOM 0 HA GLN A 123 -11.210 10.621 -7.278 1.00 1.00 H new ATOM 0 HB2 GLN A 123 -8.966 10.974 -6.459 1.00 1.00 H new ATOM 0 HB3 GLN A 123 -9.474 9.393 -5.898 1.00 1.00 H new ATOM 0 HG2 GLN A 123 -8.339 8.414 -7.998 1.00 1.00 H new ATOM 0 HG3 GLN A 123 -7.655 10.004 -8.271 1.00 1.00 H new ATOM 0 HE21 GLN A 123 -5.867 10.681 -6.971 1.00 1.00 H new ATOM 0 HE22 GLN A 123 -5.171 9.655 -5.712 1.00 1.00 H new ATOM 1929 N SER A 124 -9.433 9.866 -9.939 1.00 1.00 N ATOM 1930 CA SER A 124 -9.002 10.362 -11.239 1.00 1.00 C ATOM 1931 C SER A 124 -10.205 10.629 -12.137 1.00 1.00 C ATOM 1932 O SER A 124 -10.277 10.021 -13.192 1.00 1.00 O ATOM 1933 CB SER A 124 -8.081 9.338 -11.905 1.00 1.00 C ATOM 1934 OG SER A 124 -6.964 9.091 -11.062 1.00 1.00 O ATOM 1935 OXT SER A 124 -11.036 11.435 -11.754 1.00 1.00 O ATOM 0 H SER A 124 -9.239 8.878 -9.776 1.00 1.00 H new ATOM 0 HA SER A 124 -8.461 11.297 -11.091 1.00 1.00 H new ATOM 0 HB2 SER A 124 -8.623 8.411 -12.090 1.00 1.00 H new ATOM 0 HB3 SER A 124 -7.745 9.710 -12.873 1.00 1.00 H new ATOM 0 HG SER A 124 -7.113 8.266 -10.555 1.00 1.00 H new