USER MOD reduce.3.24.130724 H: found=0, std=0, add=560, rem=0, adj=11 USER MOD reduce.3.24.130724 removed 561 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 73 MET CE :methyl 164:sc= -0.115 (180deg=-0.639) USER MOD Set 1.2: A 77 ASN : amide:sc= 0 X(o=-0.12,f=-0.44) USER MOD Set 2.1: A 33 SER OG : rot -150:sc= 0.295 USER MOD Set 2.2: A 68 GLN : amide:sc= -0.824 K(o=-0.53,f=-5.9!) USER MOD Single : A 10 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 16 SER OG : rot 180:sc= 0 USER MOD Single : A 19 SER OG : rot 180:sc= 0.0536 USER MOD Single : A 24 SER OG : rot 81:sc= 1.12 USER MOD Single : A 25 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 26 SER OG : rot 57:sc= -0.251 USER MOD Single : A 38 SER OG : rot -36:sc= 0.279 USER MOD Single : A 42 THR OG1 : rot 180:sc= 0 USER MOD Single : A 44 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 48 ASN : amide:sc= 0 X(o=0,f=-0.061) USER MOD Single : A 52 GLN : amide:sc= -0.0406 X(o=-0.041,f=-0.37) USER MOD Single : A 54 THR OG1 : rot 180:sc= -0.431 USER MOD Single : A 59 SER OG : rot 180:sc= 0 USER MOD Single : A 63 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 65 SER OG : rot 180:sc= 0 USER MOD Single : A 66 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 70 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 71 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 74 GLN : amide:sc= 0 K(o=0,f=-0.86) USER MOD ----------------------------------------------------------------- ATOM 104 N GLN A 10 -14.992 -6.799 1.546 1.00 0.00 N ATOM 105 CA GLN A 10 -15.909 -7.387 2.515 1.00 0.00 C ATOM 106 C GLN A 10 -17.097 -8.039 1.815 1.00 0.00 C ATOM 107 O GLN A 10 -17.436 -7.709 0.678 1.00 0.00 O ATOM 108 CB GLN A 10 -16.402 -6.321 3.495 1.00 0.00 C ATOM 109 CG GLN A 10 -16.738 -4.995 2.832 1.00 0.00 C ATOM 110 CD GLN A 10 -18.036 -4.400 3.342 1.00 0.00 C ATOM 111 OE1 GLN A 10 -19.095 -4.581 2.739 1.00 0.00 O ATOM 112 NE2 GLN A 10 -17.962 -3.685 4.458 1.00 0.00 N ATOM 0 HA GLN A 10 -15.369 -8.156 3.067 1.00 0.00 H new ATOM 0 HB2 GLN A 10 -17.287 -6.695 4.011 1.00 0.00 H new ATOM 0 HB3 GLN A 10 -15.637 -6.155 4.254 1.00 0.00 H new ATOM 0 HG2 GLN A 10 -15.926 -4.289 3.007 1.00 0.00 H new ATOM 0 HG3 GLN A 10 -16.808 -5.140 1.754 1.00 0.00 H new ATOM 0 HE21 GLN A 10 -17.064 -3.560 4.925 1.00 0.00 H new ATOM 0 HE22 GLN A 10 -18.803 -3.260 4.848 1.00 0.00 H new ATOM 121 N PRO A 11 -17.745 -8.988 2.507 1.00 0.00 N ATOM 122 CA PRO A 11 -18.905 -9.706 1.971 1.00 0.00 C ATOM 123 C PRO A 11 -20.135 -8.813 1.853 1.00 0.00 C ATOM 124 O PRO A 11 -20.314 -7.859 2.609 1.00 0.00 O ATOM 125 CB PRO A 11 -19.144 -10.813 3.001 1.00 0.00 C ATOM 126 CG PRO A 11 -18.569 -10.281 4.269 1.00 0.00 C ATOM 127 CD PRO A 11 -17.395 -9.432 3.867 1.00 0.00 C ATOM 0 HA PRO A 11 -18.725 -10.076 0.962 1.00 0.00 H new ATOM 0 HB2 PRO A 11 -20.207 -11.031 3.109 1.00 0.00 H new ATOM 0 HB3 PRO A 11 -18.657 -11.742 2.704 1.00 0.00 H new ATOM 0 HG2 PRO A 11 -19.307 -9.693 4.816 1.00 0.00 H new ATOM 0 HG3 PRO A 11 -18.257 -11.092 4.927 1.00 0.00 H new ATOM 0 HD2 PRO A 11 -17.259 -8.588 4.543 1.00 0.00 H new ATOM 0 HD3 PRO A 11 -16.465 -10.001 3.877 1.00 0.00 H new ATOM 135 N PRO A 12 -21.006 -9.129 0.882 1.00 0.00 N ATOM 136 CA PRO A 12 -22.235 -8.368 0.643 1.00 0.00 C ATOM 137 C PRO A 12 -23.259 -8.556 1.757 1.00 0.00 C ATOM 138 O PRO A 12 -23.018 -9.286 2.718 1.00 0.00 O ATOM 139 CB PRO A 12 -22.762 -8.949 -0.671 1.00 0.00 C ATOM 140 CG PRO A 12 -22.199 -10.327 -0.729 1.00 0.00 C ATOM 141 CD PRO A 12 -20.856 -10.254 -0.056 1.00 0.00 C ATOM 0 HA PRO A 12 -22.049 -7.295 0.606 1.00 0.00 H new ATOM 0 HB2 PRO A 12 -23.852 -8.966 -0.688 1.00 0.00 H new ATOM 0 HB3 PRO A 12 -22.439 -8.353 -1.525 1.00 0.00 H new ATOM 0 HG2 PRO A 12 -22.852 -11.037 -0.221 1.00 0.00 H new ATOM 0 HG3 PRO A 12 -22.101 -10.665 -1.760 1.00 0.00 H new ATOM 0 HD2 PRO A 12 -20.616 -11.181 0.464 1.00 0.00 H new ATOM 0 HD3 PRO A 12 -20.056 -10.075 -0.774 1.00 0.00 H new ATOM 149 N ALA A 13 -24.403 -7.894 1.621 1.00 0.00 N ATOM 150 CA ALA A 13 -25.465 -7.990 2.616 1.00 0.00 C ATOM 151 C ALA A 13 -25.967 -9.425 2.745 1.00 0.00 C ATOM 152 O ALA A 13 -26.092 -9.951 3.851 1.00 0.00 O ATOM 153 CB ALA A 13 -26.612 -7.058 2.255 1.00 0.00 C ATOM 0 H ALA A 13 -24.619 -7.285 0.832 1.00 0.00 H new ATOM 0 HA ALA A 13 -25.055 -7.687 3.580 1.00 0.00 H new ATOM 0 HB1 ALA A 13 -27.398 -7.140 3.006 1.00 0.00 H new ATOM 0 HB2 ALA A 13 -26.249 -6.031 2.220 1.00 0.00 H new ATOM 0 HB3 ALA A 13 -27.012 -7.335 1.280 1.00 0.00 H new ATOM 159 N ASP A 14 -26.253 -10.051 1.609 1.00 0.00 N ATOM 160 CA ASP A 14 -26.741 -11.425 1.596 1.00 0.00 C ATOM 161 C ASP A 14 -25.630 -12.392 1.201 1.00 0.00 C ATOM 162 O ASP A 14 -24.886 -12.146 0.250 1.00 0.00 O ATOM 163 CB ASP A 14 -27.920 -11.561 0.630 1.00 0.00 C ATOM 164 CG ASP A 14 -28.949 -10.463 0.815 1.00 0.00 C ATOM 165 OD1 ASP A 14 -29.616 -10.447 1.871 1.00 0.00 O ATOM 166 OD2 ASP A 14 -29.087 -9.620 -0.095 1.00 0.00 O ATOM 0 H ASP A 14 -26.155 -9.629 0.685 1.00 0.00 H new ATOM 0 HA ASP A 14 -27.075 -11.675 2.603 1.00 0.00 H new ATOM 0 HB2 ASP A 14 -27.550 -11.540 -0.395 1.00 0.00 H new ATOM 0 HB3 ASP A 14 -28.397 -12.530 0.777 1.00 0.00 H new ATOM 171 N LEU A 15 -25.522 -13.493 1.936 1.00 0.00 N ATOM 172 CA LEU A 15 -24.501 -14.499 1.664 1.00 0.00 C ATOM 173 C LEU A 15 -25.082 -15.664 0.869 1.00 0.00 C ATOM 174 O LEU A 15 -24.716 -16.819 1.085 1.00 0.00 O ATOM 175 CB LEU A 15 -23.898 -15.010 2.973 1.00 0.00 C ATOM 176 CG LEU A 15 -23.413 -13.939 3.952 1.00 0.00 C ATOM 177 CD1 LEU A 15 -23.308 -14.510 5.358 1.00 0.00 C ATOM 178 CD2 LEU A 15 -22.074 -13.373 3.502 1.00 0.00 C ATOM 0 H LEU A 15 -26.129 -13.712 2.726 1.00 0.00 H new ATOM 0 HA LEU A 15 -23.717 -14.032 1.068 1.00 0.00 H new ATOM 0 HB2 LEU A 15 -24.644 -15.624 3.478 1.00 0.00 H new ATOM 0 HB3 LEU A 15 -23.058 -15.662 2.733 1.00 0.00 H new ATOM 0 HG LEU A 15 -24.141 -13.128 3.965 1.00 0.00 H new ATOM 0 HD11 LEU A 15 -22.962 -13.734 6.041 1.00 0.00 H new ATOM 0 HD12 LEU A 15 -24.286 -14.866 5.680 1.00 0.00 H new ATOM 0 HD13 LEU A 15 -22.601 -15.339 5.362 1.00 0.00 H new ATOM 0 HD21 LEU A 15 -21.744 -12.613 4.210 1.00 0.00 H new ATOM 0 HD22 LEU A 15 -21.336 -14.174 3.460 1.00 0.00 H new ATOM 0 HD23 LEU A 15 -22.182 -12.926 2.514 1.00 0.00 H new ATOM 190 N SER A 16 -25.988 -15.352 -0.052 1.00 0.00 N ATOM 191 CA SER A 16 -26.621 -16.373 -0.878 1.00 0.00 C ATOM 192 C SER A 16 -26.163 -16.260 -2.329 1.00 0.00 C ATOM 193 O SER A 16 -26.902 -16.595 -3.253 1.00 0.00 O ATOM 194 CB SER A 16 -28.144 -16.250 -0.801 1.00 0.00 C ATOM 195 OG SER A 16 -28.558 -14.909 -0.998 1.00 0.00 O ATOM 0 H SER A 16 -26.300 -14.400 -0.245 1.00 0.00 H new ATOM 0 HA SER A 16 -26.323 -17.349 -0.496 1.00 0.00 H new ATOM 0 HB2 SER A 16 -28.602 -16.890 -1.555 1.00 0.00 H new ATOM 0 HB3 SER A 16 -28.492 -16.602 0.170 1.00 0.00 H new ATOM 0 HG SER A 16 -29.535 -14.857 -0.946 1.00 0.00 H new ATOM 201 N GLY A 17 -24.936 -15.783 -2.520 1.00 0.00 N ATOM 202 CA GLY A 17 -24.399 -15.632 -3.860 1.00 0.00 C ATOM 203 C GLY A 17 -22.884 -15.621 -3.879 1.00 0.00 C ATOM 204 O GLY A 17 -22.271 -15.112 -4.819 1.00 0.00 O ATOM 0 H GLY A 17 -24.305 -15.499 -1.771 1.00 0.00 H new ATOM 0 HA2 GLY A 17 -24.761 -16.447 -4.487 1.00 0.00 H new ATOM 0 HA3 GLY A 17 -24.772 -14.705 -4.295 1.00 0.00 H new ATOM 208 N LEU A 18 -22.276 -16.180 -2.838 1.00 0.00 N ATOM 209 CA LEU A 18 -20.822 -16.231 -2.738 1.00 0.00 C ATOM 210 C LEU A 18 -20.303 -17.632 -3.045 1.00 0.00 C ATOM 211 O LEU A 18 -20.789 -18.620 -2.493 1.00 0.00 O ATOM 212 CB LEU A 18 -20.372 -15.804 -1.340 1.00 0.00 C ATOM 213 CG LEU A 18 -20.782 -14.397 -0.904 1.00 0.00 C ATOM 214 CD1 LEU A 18 -20.378 -14.147 0.541 1.00 0.00 C ATOM 215 CD2 LEU A 18 -20.163 -13.353 -1.821 1.00 0.00 C ATOM 0 H LEU A 18 -22.768 -16.604 -2.051 1.00 0.00 H new ATOM 0 HA LEU A 18 -20.408 -15.541 -3.473 1.00 0.00 H new ATOM 0 HB2 LEU A 18 -20.770 -16.517 -0.618 1.00 0.00 H new ATOM 0 HB3 LEU A 18 -19.285 -15.875 -1.292 1.00 0.00 H new ATOM 0 HG LEU A 18 -21.867 -14.317 -0.975 1.00 0.00 H new ATOM 0 HD11 LEU A 18 -20.678 -13.141 0.834 1.00 0.00 H new ATOM 0 HD12 LEU A 18 -20.869 -14.874 1.187 1.00 0.00 H new ATOM 0 HD13 LEU A 18 -19.297 -14.246 0.639 1.00 0.00 H new ATOM 0 HD21 LEU A 18 -20.466 -12.358 -1.496 1.00 0.00 H new ATOM 0 HD22 LEU A 18 -19.077 -13.433 -1.782 1.00 0.00 H new ATOM 0 HD23 LEU A 18 -20.503 -13.519 -2.843 1.00 0.00 H new ATOM 227 N SER A 19 -19.313 -17.711 -3.929 1.00 0.00 N ATOM 228 CA SER A 19 -18.730 -18.992 -4.311 1.00 0.00 C ATOM 229 C SER A 19 -17.916 -19.582 -3.163 1.00 0.00 C ATOM 230 O SER A 19 -17.704 -18.931 -2.139 1.00 0.00 O ATOM 231 CB SER A 19 -17.842 -18.824 -5.546 1.00 0.00 C ATOM 232 OG SER A 19 -18.223 -17.683 -6.296 1.00 0.00 O ATOM 0 H SER A 19 -18.898 -16.903 -4.394 1.00 0.00 H new ATOM 0 HA SER A 19 -19.544 -19.678 -4.547 1.00 0.00 H new ATOM 0 HB2 SER A 19 -16.800 -18.730 -5.239 1.00 0.00 H new ATOM 0 HB3 SER A 19 -17.911 -19.714 -6.171 1.00 0.00 H new ATOM 0 HG SER A 19 -17.640 -17.596 -7.079 1.00 0.00 H new ATOM 238 N ILE A 20 -17.465 -20.819 -3.341 1.00 0.00 N ATOM 239 CA ILE A 20 -16.674 -21.497 -2.321 1.00 0.00 C ATOM 240 C ILE A 20 -15.386 -20.736 -2.027 1.00 0.00 C ATOM 241 O ILE A 20 -14.912 -20.715 -0.892 1.00 0.00 O ATOM 242 CB ILE A 20 -16.322 -22.935 -2.746 1.00 0.00 C ATOM 243 CG1 ILE A 20 -17.596 -23.737 -3.018 1.00 0.00 C ATOM 244 CG2 ILE A 20 -15.481 -23.613 -1.675 1.00 0.00 C ATOM 245 CD1 ILE A 20 -17.336 -25.101 -3.617 1.00 0.00 C ATOM 0 H ILE A 20 -17.634 -21.372 -4.181 1.00 0.00 H new ATOM 0 HA ILE A 20 -17.285 -21.532 -1.419 1.00 0.00 H new ATOM 0 HB ILE A 20 -15.739 -22.893 -3.666 1.00 0.00 H new ATOM 0 HG12 ILE A 20 -18.145 -23.858 -2.084 1.00 0.00 H new ATOM 0 HG13 ILE A 20 -18.236 -23.169 -3.693 1.00 0.00 H new ATOM 0 HG21 ILE A 20 -15.240 -24.628 -1.990 1.00 0.00 H new ATOM 0 HG22 ILE A 20 -14.559 -23.051 -1.526 1.00 0.00 H new ATOM 0 HG23 ILE A 20 -16.040 -23.646 -0.740 1.00 0.00 H new ATOM 0 HD11 ILE A 20 -18.284 -25.612 -3.783 1.00 0.00 H new ATOM 0 HD12 ILE A 20 -16.814 -24.988 -4.567 1.00 0.00 H new ATOM 0 HD13 ILE A 20 -16.722 -25.688 -2.933 1.00 0.00 H new ATOM 257 N GLU A 21 -14.827 -20.110 -3.058 1.00 0.00 N ATOM 258 CA GLU A 21 -13.594 -19.345 -2.909 1.00 0.00 C ATOM 259 C GLU A 21 -13.850 -18.039 -2.163 1.00 0.00 C ATOM 260 O GLU A 21 -12.996 -17.561 -1.418 1.00 0.00 O ATOM 261 CB GLU A 21 -12.982 -19.051 -4.280 1.00 0.00 C ATOM 262 CG GLU A 21 -11.540 -19.509 -4.415 1.00 0.00 C ATOM 263 CD GLU A 21 -10.904 -19.062 -5.716 1.00 0.00 C ATOM 264 OE1 GLU A 21 -11.404 -19.459 -6.789 1.00 0.00 O ATOM 265 OE2 GLU A 21 -9.905 -18.313 -5.662 1.00 0.00 O ATOM 0 H GLU A 21 -15.208 -20.117 -4.004 1.00 0.00 H new ATOM 0 HA GLU A 21 -12.893 -19.944 -2.327 1.00 0.00 H new ATOM 0 HB2 GLU A 21 -13.582 -19.538 -5.048 1.00 0.00 H new ATOM 0 HB3 GLU A 21 -13.033 -17.979 -4.468 1.00 0.00 H new ATOM 0 HG2 GLU A 21 -10.959 -19.119 -3.579 1.00 0.00 H new ATOM 0 HG3 GLU A 21 -11.501 -20.596 -4.351 1.00 0.00 H new ATOM 272 N GLU A 22 -15.032 -17.468 -2.370 1.00 0.00 N ATOM 273 CA GLU A 22 -15.400 -16.217 -1.718 1.00 0.00 C ATOM 274 C GLU A 22 -15.657 -16.434 -0.230 1.00 0.00 C ATOM 275 O GLU A 22 -15.389 -15.557 0.592 1.00 0.00 O ATOM 276 CB GLU A 22 -16.643 -15.618 -2.379 1.00 0.00 C ATOM 277 CG GLU A 22 -16.353 -14.908 -3.691 1.00 0.00 C ATOM 278 CD GLU A 22 -16.244 -13.405 -3.530 1.00 0.00 C ATOM 279 OE1 GLU A 22 -17.284 -12.720 -3.635 1.00 0.00 O ATOM 280 OE2 GLU A 22 -15.120 -12.912 -3.299 1.00 0.00 O ATOM 0 H GLU A 22 -15.751 -17.852 -2.984 1.00 0.00 H new ATOM 0 HA GLU A 22 -14.568 -15.522 -1.828 1.00 0.00 H new ATOM 0 HB2 GLU A 22 -17.367 -16.413 -2.558 1.00 0.00 H new ATOM 0 HB3 GLU A 22 -17.107 -14.913 -1.689 1.00 0.00 H new ATOM 0 HG2 GLU A 22 -15.423 -15.293 -4.110 1.00 0.00 H new ATOM 0 HG3 GLU A 22 -17.144 -15.137 -4.406 1.00 0.00 H new ATOM 287 N VAL A 23 -16.178 -17.609 0.110 1.00 0.00 N ATOM 288 CA VAL A 23 -16.471 -17.943 1.499 1.00 0.00 C ATOM 289 C VAL A 23 -15.225 -17.814 2.369 1.00 0.00 C ATOM 290 O VAL A 23 -15.284 -17.286 3.479 1.00 0.00 O ATOM 291 CB VAL A 23 -17.027 -19.373 1.627 1.00 0.00 C ATOM 292 CG1 VAL A 23 -17.356 -19.690 3.077 1.00 0.00 C ATOM 293 CG2 VAL A 23 -18.253 -19.548 0.743 1.00 0.00 C ATOM 0 H VAL A 23 -16.406 -18.346 -0.558 1.00 0.00 H new ATOM 0 HA VAL A 23 -17.226 -17.236 1.843 1.00 0.00 H new ATOM 0 HB VAL A 23 -16.262 -20.073 1.292 1.00 0.00 H new ATOM 0 HG11 VAL A 23 -17.748 -20.705 3.148 1.00 0.00 H new ATOM 0 HG12 VAL A 23 -16.453 -19.607 3.682 1.00 0.00 H new ATOM 0 HG13 VAL A 23 -18.104 -18.986 3.443 1.00 0.00 H new ATOM 0 HG21 VAL A 23 -18.633 -20.564 0.845 1.00 0.00 H new ATOM 0 HG22 VAL A 23 -19.024 -18.840 1.046 1.00 0.00 H new ATOM 0 HG23 VAL A 23 -17.981 -19.365 -0.297 1.00 0.00 H new ATOM 303 N SER A 24 -14.099 -18.299 1.857 1.00 0.00 N ATOM 304 CA SER A 24 -12.839 -18.242 2.589 1.00 0.00 C ATOM 305 C SER A 24 -12.551 -16.821 3.063 1.00 0.00 C ATOM 306 O SER A 24 -11.928 -16.615 4.105 1.00 0.00 O ATOM 307 CB SER A 24 -11.691 -18.741 1.709 1.00 0.00 C ATOM 308 OG SER A 24 -12.182 -19.401 0.556 1.00 0.00 O ATOM 0 H SER A 24 -14.033 -18.736 0.938 1.00 0.00 H new ATOM 0 HA SER A 24 -12.925 -18.888 3.463 1.00 0.00 H new ATOM 0 HB2 SER A 24 -11.065 -17.900 1.411 1.00 0.00 H new ATOM 0 HB3 SER A 24 -11.060 -19.422 2.280 1.00 0.00 H new ATOM 0 HG SER A 24 -12.428 -18.737 -0.121 1.00 0.00 H new ATOM 314 N LYS A 25 -13.010 -15.842 2.291 1.00 0.00 N ATOM 315 CA LYS A 25 -12.804 -14.439 2.630 1.00 0.00 C ATOM 316 C LYS A 25 -13.950 -13.912 3.488 1.00 0.00 C ATOM 317 O LYS A 25 -13.775 -12.976 4.268 1.00 0.00 O ATOM 318 CB LYS A 25 -12.678 -13.598 1.357 1.00 0.00 C ATOM 319 CG LYS A 25 -11.671 -14.148 0.362 1.00 0.00 C ATOM 320 CD LYS A 25 -11.088 -13.047 -0.508 1.00 0.00 C ATOM 321 CE LYS A 25 -11.967 -12.769 -1.718 1.00 0.00 C ATOM 322 NZ LYS A 25 -11.467 -13.461 -2.938 1.00 0.00 N ATOM 0 H LYS A 25 -13.528 -15.995 1.425 1.00 0.00 H new ATOM 0 HA LYS A 25 -11.880 -14.362 3.202 1.00 0.00 H new ATOM 0 HB2 LYS A 25 -13.654 -13.534 0.876 1.00 0.00 H new ATOM 0 HB3 LYS A 25 -12.390 -12.583 1.629 1.00 0.00 H new ATOM 0 HG2 LYS A 25 -10.868 -14.653 0.898 1.00 0.00 H new ATOM 0 HG3 LYS A 25 -12.152 -14.895 -0.269 1.00 0.00 H new ATOM 0 HD2 LYS A 25 -10.979 -12.136 0.081 1.00 0.00 H new ATOM 0 HD3 LYS A 25 -10.090 -13.334 -0.840 1.00 0.00 H new ATOM 0 HE2 LYS A 25 -12.986 -13.094 -1.509 1.00 0.00 H new ATOM 0 HE3 LYS A 25 -12.005 -11.695 -1.900 1.00 0.00 H new ATOM 0 HZ1 LYS A 25 -12.093 -13.246 -3.740 1.00 0.00 H new ATOM 0 HZ2 LYS A 25 -10.504 -13.133 -3.153 1.00 0.00 H new ATOM 0 HZ3 LYS A 25 -11.454 -14.488 -2.774 1.00 0.00 H new ATOM 336 N SER A 26 -15.122 -14.521 3.339 1.00 0.00 N ATOM 337 CA SER A 26 -16.298 -14.112 4.099 1.00 0.00 C ATOM 338 C SER A 26 -16.009 -14.128 5.597 1.00 0.00 C ATOM 339 O SER A 26 -16.390 -13.210 6.324 1.00 0.00 O ATOM 340 CB SER A 26 -17.479 -15.032 3.785 1.00 0.00 C ATOM 341 OG SER A 26 -17.889 -14.895 2.436 1.00 0.00 O ATOM 0 H SER A 26 -15.283 -15.299 2.699 1.00 0.00 H new ATOM 0 HA SER A 26 -16.553 -13.093 3.807 1.00 0.00 H new ATOM 0 HB2 SER A 26 -17.199 -16.067 3.980 1.00 0.00 H new ATOM 0 HB3 SER A 26 -18.313 -14.797 4.447 1.00 0.00 H new ATOM 0 HG SER A 26 -17.130 -15.077 1.843 1.00 0.00 H new ATOM 347 N LEU A 27 -15.334 -15.178 6.051 1.00 0.00 N ATOM 348 CA LEU A 27 -14.993 -15.316 7.463 1.00 0.00 C ATOM 349 C LEU A 27 -13.874 -14.354 7.849 1.00 0.00 C ATOM 350 O LEU A 27 -13.773 -13.935 9.002 1.00 0.00 O ATOM 351 CB LEU A 27 -14.573 -16.754 7.769 1.00 0.00 C ATOM 352 CG LEU A 27 -15.629 -17.831 7.513 1.00 0.00 C ATOM 353 CD1 LEU A 27 -15.095 -19.203 7.894 1.00 0.00 C ATOM 354 CD2 LEU A 27 -16.904 -17.520 8.284 1.00 0.00 C ATOM 0 H LEU A 27 -15.012 -15.946 5.462 1.00 0.00 H new ATOM 0 HA LEU A 27 -15.878 -15.070 8.051 1.00 0.00 H new ATOM 0 HB2 LEU A 27 -13.692 -16.989 7.172 1.00 0.00 H new ATOM 0 HB3 LEU A 27 -14.273 -16.809 8.816 1.00 0.00 H new ATOM 0 HG LEU A 27 -15.864 -17.838 6.449 1.00 0.00 H new ATOM 0 HD11 LEU A 27 -15.860 -19.956 7.705 1.00 0.00 H new ATOM 0 HD12 LEU A 27 -14.210 -19.427 7.299 1.00 0.00 H new ATOM 0 HD13 LEU A 27 -14.832 -19.210 8.952 1.00 0.00 H new ATOM 0 HD21 LEU A 27 -17.645 -18.296 8.091 1.00 0.00 H new ATOM 0 HD22 LEU A 27 -16.685 -17.486 9.351 1.00 0.00 H new ATOM 0 HD23 LEU A 27 -17.297 -16.555 7.963 1.00 0.00 H new ATOM 366 N ARG A 28 -13.037 -14.007 6.877 1.00 0.00 N ATOM 367 CA ARG A 28 -11.926 -13.094 7.115 1.00 0.00 C ATOM 368 C ARG A 28 -12.419 -11.787 7.729 1.00 0.00 C ATOM 369 O ARG A 28 -11.688 -11.118 8.461 1.00 0.00 O ATOM 370 CB ARG A 28 -11.184 -12.808 5.808 1.00 0.00 C ATOM 371 CG ARG A 28 -9.763 -12.309 6.011 1.00 0.00 C ATOM 372 CD ARG A 28 -8.786 -13.463 6.175 1.00 0.00 C ATOM 373 NE ARG A 28 -7.398 -13.028 6.040 1.00 0.00 N ATOM 374 CZ ARG A 28 -6.356 -13.781 6.376 1.00 0.00 C ATOM 375 NH1 ARG A 28 -6.545 -14.999 6.865 1.00 0.00 N ATOM 376 NH2 ARG A 28 -5.123 -13.315 6.224 1.00 0.00 N ATOM 0 H ARG A 28 -13.107 -14.344 5.917 1.00 0.00 H new ATOM 0 HA ARG A 28 -11.241 -13.570 7.817 1.00 0.00 H new ATOM 0 HB2 ARG A 28 -11.158 -13.718 5.208 1.00 0.00 H new ATOM 0 HB3 ARG A 28 -11.743 -12.066 5.238 1.00 0.00 H new ATOM 0 HG2 ARG A 28 -9.466 -11.697 5.159 1.00 0.00 H new ATOM 0 HG3 ARG A 28 -9.723 -11.669 6.892 1.00 0.00 H new ATOM 0 HD2 ARG A 28 -8.928 -13.922 7.153 1.00 0.00 H new ATOM 0 HD3 ARG A 28 -9.000 -14.228 5.429 1.00 0.00 H new ATOM 0 HE ARG A 28 -7.219 -12.095 5.668 1.00 0.00 H new ATOM 0 HH11 ARG A 28 -7.492 -15.360 6.984 1.00 0.00 H new ATOM 0 HH12 ARG A 28 -5.744 -15.575 7.122 1.00 0.00 H new ATOM 0 HH21 ARG A 28 -4.974 -12.378 5.849 1.00 0.00 H new ATOM 0 HH22 ARG A 28 -4.324 -13.894 6.482 1.00 0.00 H new ATOM 390 N PHE A 29 -13.662 -11.428 7.426 1.00 0.00 N ATOM 391 CA PHE A 29 -14.252 -10.200 7.946 1.00 0.00 C ATOM 392 C PHE A 29 -14.144 -10.148 9.468 1.00 0.00 C ATOM 393 O PHE A 29 -13.743 -9.132 10.038 1.00 0.00 O ATOM 394 CB PHE A 29 -15.718 -10.095 7.523 1.00 0.00 C ATOM 395 CG PHE A 29 -16.374 -8.812 7.949 1.00 0.00 C ATOM 396 CD1 PHE A 29 -15.944 -7.597 7.441 1.00 0.00 C ATOM 397 CD2 PHE A 29 -17.421 -8.822 8.857 1.00 0.00 C ATOM 398 CE1 PHE A 29 -16.546 -6.415 7.831 1.00 0.00 C ATOM 399 CE2 PHE A 29 -18.026 -7.643 9.251 1.00 0.00 C ATOM 400 CZ PHE A 29 -17.589 -6.439 8.736 1.00 0.00 C ATOM 0 H PHE A 29 -14.280 -11.970 6.823 1.00 0.00 H new ATOM 0 HA PHE A 29 -13.701 -9.356 7.531 1.00 0.00 H new ATOM 0 HB2 PHE A 29 -15.782 -10.184 6.439 1.00 0.00 H new ATOM 0 HB3 PHE A 29 -16.271 -10.934 7.945 1.00 0.00 H new ATOM 0 HD1 PHE A 29 -15.129 -7.573 6.732 1.00 0.00 H new ATOM 0 HD2 PHE A 29 -17.768 -9.761 9.261 1.00 0.00 H new ATOM 0 HE1 PHE A 29 -16.201 -5.474 7.428 1.00 0.00 H new ATOM 0 HE2 PHE A 29 -18.840 -7.664 9.961 1.00 0.00 H new ATOM 0 HZ PHE A 29 -18.062 -5.517 9.040 1.00 0.00 H new ATOM 410 N ILE A 30 -14.506 -11.248 10.118 1.00 0.00 N ATOM 411 CA ILE A 30 -14.450 -11.328 11.573 1.00 0.00 C ATOM 412 C ILE A 30 -13.085 -11.817 12.044 1.00 0.00 C ATOM 413 O ILE A 30 -12.650 -11.502 13.151 1.00 0.00 O ATOM 414 CB ILE A 30 -15.539 -12.267 12.127 1.00 0.00 C ATOM 415 CG1 ILE A 30 -15.429 -13.649 11.480 1.00 0.00 C ATOM 416 CG2 ILE A 30 -16.920 -11.674 11.892 1.00 0.00 C ATOM 417 CD1 ILE A 30 -16.347 -14.680 12.098 1.00 0.00 C ATOM 0 H ILE A 30 -14.841 -12.096 9.661 1.00 0.00 H new ATOM 0 HA ILE A 30 -14.623 -10.321 11.952 1.00 0.00 H new ATOM 0 HB ILE A 30 -15.391 -12.377 13.201 1.00 0.00 H new ATOM 0 HG12 ILE A 30 -15.656 -13.563 10.417 1.00 0.00 H new ATOM 0 HG13 ILE A 30 -14.399 -13.997 11.559 1.00 0.00 H new ATOM 0 HG21 ILE A 30 -17.678 -12.349 12.289 1.00 0.00 H new ATOM 0 HG22 ILE A 30 -16.993 -10.710 12.396 1.00 0.00 H new ATOM 0 HG23 ILE A 30 -17.080 -11.537 10.823 1.00 0.00 H new ATOM 0 HD11 ILE A 30 -16.216 -15.635 11.590 1.00 0.00 H new ATOM 0 HD12 ILE A 30 -16.106 -14.795 13.155 1.00 0.00 H new ATOM 0 HD13 ILE A 30 -17.382 -14.354 11.995 1.00 0.00 H new ATOM 429 N GLY A 31 -12.413 -12.588 11.195 1.00 0.00 N ATOM 430 CA GLY A 31 -11.102 -13.106 11.542 1.00 0.00 C ATOM 431 C GLY A 31 -11.180 -14.395 12.336 1.00 0.00 C ATOM 432 O GLY A 31 -11.160 -14.377 13.567 1.00 0.00 O ATOM 0 H GLY A 31 -12.753 -12.863 10.273 1.00 0.00 H new ATOM 0 HA2 GLY A 31 -10.530 -13.278 10.630 1.00 0.00 H new ATOM 0 HA3 GLY A 31 -10.561 -12.358 12.121 1.00 0.00 H new ATOM 436 N LEU A 32 -11.272 -15.518 11.631 1.00 0.00 N ATOM 437 CA LEU A 32 -11.355 -16.823 12.277 1.00 0.00 C ATOM 438 C LEU A 32 -10.057 -17.604 12.097 1.00 0.00 C ATOM 439 O LEU A 32 -9.099 -17.106 11.507 1.00 0.00 O ATOM 440 CB LEU A 32 -12.528 -17.622 11.708 1.00 0.00 C ATOM 441 CG LEU A 32 -13.924 -17.081 12.022 1.00 0.00 C ATOM 442 CD1 LEU A 32 -14.993 -18.007 11.463 1.00 0.00 C ATOM 443 CD2 LEU A 32 -14.101 -16.903 13.523 1.00 0.00 C ATOM 0 H LEU A 32 -11.291 -15.550 10.612 1.00 0.00 H new ATOM 0 HA LEU A 32 -11.516 -16.663 13.343 1.00 0.00 H new ATOM 0 HB2 LEU A 32 -12.415 -17.673 10.625 1.00 0.00 H new ATOM 0 HB3 LEU A 32 -12.463 -18.643 12.084 1.00 0.00 H new ATOM 0 HG LEU A 32 -14.032 -16.107 11.546 1.00 0.00 H new ATOM 0 HD11 LEU A 32 -15.980 -17.606 11.696 1.00 0.00 H new ATOM 0 HD12 LEU A 32 -14.879 -18.084 10.382 1.00 0.00 H new ATOM 0 HD13 LEU A 32 -14.888 -18.996 11.910 1.00 0.00 H new ATOM 0 HD21 LEU A 32 -15.100 -16.517 13.728 1.00 0.00 H new ATOM 0 HD22 LEU A 32 -13.974 -17.864 14.021 1.00 0.00 H new ATOM 0 HD23 LEU A 32 -13.357 -16.200 13.896 1.00 0.00 H new ATOM 455 N SER A 33 -10.035 -18.831 12.606 1.00 0.00 N ATOM 456 CA SER A 33 -8.855 -19.681 12.503 1.00 0.00 C ATOM 457 C SER A 33 -8.690 -20.210 11.081 1.00 0.00 C ATOM 458 O SER A 33 -9.672 -20.494 10.396 1.00 0.00 O ATOM 459 CB SER A 33 -8.954 -20.850 13.485 1.00 0.00 C ATOM 460 OG SER A 33 -10.023 -20.661 14.396 1.00 0.00 O ATOM 0 H SER A 33 -10.822 -19.259 13.094 1.00 0.00 H new ATOM 0 HA SER A 33 -7.981 -19.079 12.753 1.00 0.00 H new ATOM 0 HB2 SER A 33 -9.101 -21.780 12.935 1.00 0.00 H new ATOM 0 HB3 SER A 33 -8.017 -20.949 14.034 1.00 0.00 H new ATOM 0 HG SER A 33 -9.808 -21.096 15.247 1.00 0.00 H new ATOM 466 N GLU A 34 -7.440 -20.339 10.646 1.00 0.00 N ATOM 467 CA GLU A 34 -7.146 -20.833 9.306 1.00 0.00 C ATOM 468 C GLU A 34 -7.674 -22.253 9.121 1.00 0.00 C ATOM 469 O GLU A 34 -8.007 -22.663 8.009 1.00 0.00 O ATOM 470 CB GLU A 34 -5.639 -20.800 9.046 1.00 0.00 C ATOM 471 CG GLU A 34 -4.827 -21.572 10.072 1.00 0.00 C ATOM 472 CD GLU A 34 -3.357 -21.659 9.708 1.00 0.00 C ATOM 473 OE1 GLU A 34 -2.867 -20.756 8.998 1.00 0.00 O ATOM 474 OE2 GLU A 34 -2.698 -22.630 10.134 1.00 0.00 O ATOM 0 H GLU A 34 -6.616 -20.109 11.201 1.00 0.00 H new ATOM 0 HA GLU A 34 -7.646 -20.182 8.589 1.00 0.00 H new ATOM 0 HB2 GLU A 34 -5.441 -21.210 8.056 1.00 0.00 H new ATOM 0 HB3 GLU A 34 -5.303 -19.763 9.035 1.00 0.00 H new ATOM 0 HG2 GLU A 34 -4.929 -21.092 11.046 1.00 0.00 H new ATOM 0 HG3 GLU A 34 -5.234 -22.579 10.169 1.00 0.00 H new ATOM 481 N ASP A 35 -7.746 -22.998 10.218 1.00 0.00 N ATOM 482 CA ASP A 35 -8.234 -24.372 10.179 1.00 0.00 C ATOM 483 C ASP A 35 -9.739 -24.408 9.936 1.00 0.00 C ATOM 484 O ASP A 35 -10.241 -25.259 9.202 1.00 0.00 O ATOM 485 CB ASP A 35 -7.898 -25.093 11.485 1.00 0.00 C ATOM 486 CG ASP A 35 -7.932 -26.601 11.339 1.00 0.00 C ATOM 487 OD1 ASP A 35 -7.654 -27.096 10.227 1.00 0.00 O ATOM 488 OD2 ASP A 35 -8.237 -27.288 12.337 1.00 0.00 O ATOM 0 H ASP A 35 -7.473 -22.674 11.146 1.00 0.00 H new ATOM 0 HA ASP A 35 -7.739 -24.883 9.353 1.00 0.00 H new ATOM 0 HB2 ASP A 35 -6.908 -24.786 11.822 1.00 0.00 H new ATOM 0 HB3 ASP A 35 -8.606 -24.790 12.257 1.00 0.00 H new ATOM 493 N VAL A 36 -10.456 -23.478 10.560 1.00 0.00 N ATOM 494 CA VAL A 36 -11.905 -23.402 10.412 1.00 0.00 C ATOM 495 C VAL A 36 -12.293 -23.003 8.993 1.00 0.00 C ATOM 496 O VAL A 36 -13.101 -23.671 8.348 1.00 0.00 O ATOM 497 CB VAL A 36 -12.518 -22.395 11.403 1.00 0.00 C ATOM 498 CG1 VAL A 36 -14.029 -22.335 11.236 1.00 0.00 C ATOM 499 CG2 VAL A 36 -12.146 -22.760 12.832 1.00 0.00 C ATOM 0 H VAL A 36 -10.057 -22.767 11.173 1.00 0.00 H new ATOM 0 HA VAL A 36 -12.297 -24.396 10.626 1.00 0.00 H new ATOM 0 HB VAL A 36 -12.112 -21.406 11.188 1.00 0.00 H new ATOM 0 HG11 VAL A 36 -14.445 -21.619 11.944 1.00 0.00 H new ATOM 0 HG12 VAL A 36 -14.271 -22.023 10.220 1.00 0.00 H new ATOM 0 HG13 VAL A 36 -14.455 -23.320 11.424 1.00 0.00 H new ATOM 0 HG21 VAL A 36 -12.588 -22.038 13.519 1.00 0.00 H new ATOM 0 HG22 VAL A 36 -12.522 -23.757 13.063 1.00 0.00 H new ATOM 0 HG23 VAL A 36 -11.061 -22.747 12.940 1.00 0.00 H new ATOM 509 N ILE A 37 -11.710 -21.910 8.512 1.00 0.00 N ATOM 510 CA ILE A 37 -11.994 -21.422 7.168 1.00 0.00 C ATOM 511 C ILE A 37 -11.784 -22.520 6.129 1.00 0.00 C ATOM 512 O ILE A 37 -12.645 -22.759 5.283 1.00 0.00 O ATOM 513 CB ILE A 37 -11.107 -20.215 6.808 1.00 0.00 C ATOM 514 CG1 ILE A 37 -11.312 -19.085 7.819 1.00 0.00 C ATOM 515 CG2 ILE A 37 -11.415 -19.734 5.398 1.00 0.00 C ATOM 516 CD1 ILE A 37 -10.243 -18.017 7.756 1.00 0.00 C ATOM 0 H ILE A 37 -11.038 -21.346 9.033 1.00 0.00 H new ATOM 0 HA ILE A 37 -13.039 -21.111 7.159 1.00 0.00 H new ATOM 0 HB ILE A 37 -10.063 -20.525 6.845 1.00 0.00 H new ATOM 0 HG12 ILE A 37 -12.285 -18.625 7.645 1.00 0.00 H new ATOM 0 HG13 ILE A 37 -11.334 -19.507 8.824 1.00 0.00 H new ATOM 0 HG21 ILE A 37 -10.781 -18.881 5.158 1.00 0.00 H new ATOM 0 HG22 ILE A 37 -11.224 -20.539 4.689 1.00 0.00 H new ATOM 0 HG23 ILE A 37 -12.462 -19.437 5.336 1.00 0.00 H new ATOM 0 HD11 ILE A 37 -10.452 -17.248 8.500 1.00 0.00 H new ATOM 0 HD12 ILE A 37 -9.270 -18.464 7.960 1.00 0.00 H new ATOM 0 HD13 ILE A 37 -10.235 -17.568 6.763 1.00 0.00 H new ATOM 528 N SER A 38 -10.636 -23.184 6.202 1.00 0.00 N ATOM 529 CA SER A 38 -10.312 -24.256 5.268 1.00 0.00 C ATOM 530 C SER A 38 -11.248 -25.445 5.459 1.00 0.00 C ATOM 531 O SER A 38 -11.498 -26.210 4.527 1.00 0.00 O ATOM 532 CB SER A 38 -8.860 -24.701 5.452 1.00 0.00 C ATOM 533 OG SER A 38 -8.718 -25.515 6.603 1.00 0.00 O ATOM 0 H SER A 38 -9.914 -22.999 6.898 1.00 0.00 H new ATOM 0 HA SER A 38 -10.441 -23.873 4.256 1.00 0.00 H new ATOM 0 HB2 SER A 38 -8.531 -25.251 4.571 1.00 0.00 H new ATOM 0 HB3 SER A 38 -8.216 -23.826 5.540 1.00 0.00 H new ATOM 0 HG SER A 38 -9.323 -25.197 7.305 1.00 0.00 H new ATOM 539 N PHE A 39 -11.764 -25.594 6.674 1.00 0.00 N ATOM 540 CA PHE A 39 -12.672 -26.691 6.990 1.00 0.00 C ATOM 541 C PHE A 39 -13.965 -26.574 6.188 1.00 0.00 C ATOM 542 O PHE A 39 -14.632 -27.572 5.914 1.00 0.00 O ATOM 543 CB PHE A 39 -12.987 -26.705 8.487 1.00 0.00 C ATOM 544 CG PHE A 39 -12.558 -27.968 9.178 1.00 0.00 C ATOM 545 CD1 PHE A 39 -13.057 -29.197 8.777 1.00 0.00 C ATOM 546 CD2 PHE A 39 -11.655 -27.927 10.228 1.00 0.00 C ATOM 547 CE1 PHE A 39 -12.665 -30.360 9.411 1.00 0.00 C ATOM 548 CE2 PHE A 39 -11.258 -29.087 10.865 1.00 0.00 C ATOM 549 CZ PHE A 39 -11.763 -30.305 10.456 1.00 0.00 C ATOM 0 H PHE A 39 -11.569 -24.969 7.456 1.00 0.00 H new ATOM 0 HA PHE A 39 -12.181 -27.626 6.720 1.00 0.00 H new ATOM 0 HB2 PHE A 39 -12.495 -25.856 8.962 1.00 0.00 H new ATOM 0 HB3 PHE A 39 -14.060 -26.571 8.626 1.00 0.00 H new ATOM 0 HD1 PHE A 39 -13.761 -29.246 7.959 1.00 0.00 H new ATOM 0 HD2 PHE A 39 -11.257 -26.977 10.552 1.00 0.00 H new ATOM 0 HE1 PHE A 39 -13.063 -31.311 9.090 1.00 0.00 H new ATOM 0 HE2 PHE A 39 -10.553 -29.041 11.682 1.00 0.00 H new ATOM 0 HZ PHE A 39 -11.454 -31.213 10.952 1.00 0.00 H new ATOM 559 N PHE A 40 -14.314 -25.347 5.815 1.00 0.00 N ATOM 560 CA PHE A 40 -15.528 -25.098 5.046 1.00 0.00 C ATOM 561 C PHE A 40 -15.294 -25.357 3.561 1.00 0.00 C ATOM 562 O PHE A 40 -15.987 -26.165 2.943 1.00 0.00 O ATOM 563 CB PHE A 40 -16.003 -23.658 5.255 1.00 0.00 C ATOM 564 CG PHE A 40 -16.896 -23.489 6.451 1.00 0.00 C ATOM 565 CD1 PHE A 40 -16.564 -24.065 7.667 1.00 0.00 C ATOM 566 CD2 PHE A 40 -18.068 -22.756 6.359 1.00 0.00 C ATOM 567 CE1 PHE A 40 -17.384 -23.912 8.770 1.00 0.00 C ATOM 568 CE2 PHE A 40 -18.891 -22.598 7.458 1.00 0.00 C ATOM 569 CZ PHE A 40 -18.549 -23.178 8.664 1.00 0.00 C ATOM 0 H PHE A 40 -13.774 -24.510 6.033 1.00 0.00 H new ATOM 0 HA PHE A 40 -16.299 -25.783 5.399 1.00 0.00 H new ATOM 0 HB2 PHE A 40 -15.134 -23.010 5.366 1.00 0.00 H new ATOM 0 HB3 PHE A 40 -16.536 -23.327 4.364 1.00 0.00 H new ATOM 0 HD1 PHE A 40 -15.654 -24.640 7.754 1.00 0.00 H new ATOM 0 HD2 PHE A 40 -18.342 -22.303 5.418 1.00 0.00 H new ATOM 0 HE1 PHE A 40 -17.114 -24.366 9.712 1.00 0.00 H new ATOM 0 HE2 PHE A 40 -19.800 -22.022 7.374 1.00 0.00 H new ATOM 0 HZ PHE A 40 -19.192 -23.058 9.523 1.00 0.00 H new ATOM 579 N VAL A 41 -14.311 -24.665 2.993 1.00 0.00 N ATOM 580 CA VAL A 41 -13.984 -24.820 1.581 1.00 0.00 C ATOM 581 C VAL A 41 -13.765 -26.286 1.225 1.00 0.00 C ATOM 582 O VAL A 41 -14.304 -26.784 0.236 1.00 0.00 O ATOM 583 CB VAL A 41 -12.723 -24.018 1.206 1.00 0.00 C ATOM 584 CG1 VAL A 41 -12.458 -24.109 -0.289 1.00 0.00 C ATOM 585 CG2 VAL A 41 -12.865 -22.568 1.644 1.00 0.00 C ATOM 0 H VAL A 41 -13.727 -23.992 3.490 1.00 0.00 H new ATOM 0 HA VAL A 41 -14.832 -24.435 1.015 1.00 0.00 H new ATOM 0 HB VAL A 41 -11.869 -24.449 1.729 1.00 0.00 H new ATOM 0 HG11 VAL A 41 -11.564 -23.537 -0.535 1.00 0.00 H new ATOM 0 HG12 VAL A 41 -12.310 -25.152 -0.569 1.00 0.00 H new ATOM 0 HG13 VAL A 41 -13.310 -23.704 -0.835 1.00 0.00 H new ATOM 0 HG21 VAL A 41 -11.966 -22.016 1.371 1.00 0.00 H new ATOM 0 HG22 VAL A 41 -13.728 -22.122 1.150 1.00 0.00 H new ATOM 0 HG23 VAL A 41 -13.003 -22.526 2.724 1.00 0.00 H new ATOM 595 N THR A 42 -12.970 -26.974 2.039 1.00 0.00 N ATOM 596 CA THR A 42 -12.678 -28.384 1.810 1.00 0.00 C ATOM 597 C THR A 42 -13.953 -29.219 1.831 1.00 0.00 C ATOM 598 O THR A 42 -14.012 -30.293 1.232 1.00 0.00 O ATOM 599 CB THR A 42 -11.701 -28.934 2.866 1.00 0.00 C ATOM 600 OG1 THR A 42 -11.275 -30.251 2.500 1.00 0.00 O ATOM 601 CG2 THR A 42 -12.352 -28.969 4.240 1.00 0.00 C ATOM 0 H THR A 42 -12.517 -26.578 2.862 1.00 0.00 H new ATOM 0 HA THR A 42 -12.215 -28.455 0.826 1.00 0.00 H new ATOM 0 HB THR A 42 -10.836 -28.272 2.909 1.00 0.00 H new ATOM 0 HG1 THR A 42 -10.653 -30.593 3.176 1.00 0.00 H new ATOM 0 HG21 THR A 42 -11.643 -29.361 4.969 1.00 0.00 H new ATOM 0 HG22 THR A 42 -12.648 -27.960 4.528 1.00 0.00 H new ATOM 0 HG23 THR A 42 -13.232 -29.611 4.209 1.00 0.00 H new ATOM 609 N GLU A 43 -14.972 -28.719 2.523 1.00 0.00 N ATOM 610 CA GLU A 43 -16.246 -29.421 2.621 1.00 0.00 C ATOM 611 C GLU A 43 -17.233 -28.907 1.577 1.00 0.00 C ATOM 612 O GLU A 43 -18.447 -29.027 1.740 1.00 0.00 O ATOM 613 CB GLU A 43 -16.838 -29.257 4.023 1.00 0.00 C ATOM 614 CG GLU A 43 -16.359 -30.305 5.013 1.00 0.00 C ATOM 615 CD GLU A 43 -17.271 -31.515 5.069 1.00 0.00 C ATOM 616 OE1 GLU A 43 -18.424 -31.367 5.525 1.00 0.00 O ATOM 617 OE2 GLU A 43 -16.832 -32.609 4.657 1.00 0.00 O ATOM 0 H GLU A 43 -14.940 -27.831 3.024 1.00 0.00 H new ATOM 0 HA GLU A 43 -16.063 -30.479 2.433 1.00 0.00 H new ATOM 0 HB2 GLU A 43 -16.583 -28.268 4.402 1.00 0.00 H new ATOM 0 HB3 GLU A 43 -17.925 -29.302 3.957 1.00 0.00 H new ATOM 0 HG2 GLU A 43 -15.354 -30.625 4.739 1.00 0.00 H new ATOM 0 HG3 GLU A 43 -16.293 -29.859 6.005 1.00 0.00 H new ATOM 624 N LYS A 44 -16.702 -28.332 0.503 1.00 0.00 N ATOM 625 CA LYS A 44 -17.533 -27.799 -0.570 1.00 0.00 C ATOM 626 C LYS A 44 -18.540 -26.790 -0.028 1.00 0.00 C ATOM 627 O LYS A 44 -19.602 -26.583 -0.615 1.00 0.00 O ATOM 628 CB LYS A 44 -18.268 -28.935 -1.286 1.00 0.00 C ATOM 629 CG LYS A 44 -18.623 -28.615 -2.728 1.00 0.00 C ATOM 630 CD LYS A 44 -19.307 -29.790 -3.407 1.00 0.00 C ATOM 631 CE LYS A 44 -19.638 -29.479 -4.859 1.00 0.00 C ATOM 632 NZ LYS A 44 -20.981 -28.851 -4.999 1.00 0.00 N ATOM 0 H LYS A 44 -15.699 -28.223 0.353 1.00 0.00 H new ATOM 0 HA LYS A 44 -16.882 -27.290 -1.281 1.00 0.00 H new ATOM 0 HB2 LYS A 44 -17.646 -29.830 -1.264 1.00 0.00 H new ATOM 0 HB3 LYS A 44 -19.181 -29.168 -0.739 1.00 0.00 H new ATOM 0 HG2 LYS A 44 -19.278 -27.744 -2.758 1.00 0.00 H new ATOM 0 HG3 LYS A 44 -17.719 -28.352 -3.277 1.00 0.00 H new ATOM 0 HD2 LYS A 44 -18.660 -30.666 -3.360 1.00 0.00 H new ATOM 0 HD3 LYS A 44 -20.222 -30.040 -2.870 1.00 0.00 H new ATOM 0 HE2 LYS A 44 -18.880 -28.811 -5.269 1.00 0.00 H new ATOM 0 HE3 LYS A 44 -19.604 -30.398 -5.444 1.00 0.00 H new ATOM 0 HZ1 LYS A 44 -21.169 -28.654 -6.003 1.00 0.00 H new ATOM 0 HZ2 LYS A 44 -21.707 -29.498 -4.631 1.00 0.00 H new ATOM 0 HZ3 LYS A 44 -21.006 -27.961 -4.461 1.00 0.00 H new ATOM 646 N ILE A 45 -18.198 -26.164 1.093 1.00 0.00 N ATOM 647 CA ILE A 45 -19.072 -25.175 1.712 1.00 0.00 C ATOM 648 C ILE A 45 -19.018 -23.849 0.962 1.00 0.00 C ATOM 649 O ILE A 45 -17.956 -23.241 0.829 1.00 0.00 O ATOM 650 CB ILE A 45 -18.694 -24.934 3.186 1.00 0.00 C ATOM 651 CG1 ILE A 45 -18.742 -26.247 3.968 1.00 0.00 C ATOM 652 CG2 ILE A 45 -19.626 -23.905 3.809 1.00 0.00 C ATOM 653 CD1 ILE A 45 -20.125 -26.854 4.047 1.00 0.00 C ATOM 0 H ILE A 45 -17.322 -26.324 1.591 1.00 0.00 H new ATOM 0 HA ILE A 45 -20.085 -25.575 1.666 1.00 0.00 H new ATOM 0 HB ILE A 45 -17.676 -24.546 3.227 1.00 0.00 H new ATOM 0 HG12 ILE A 45 -18.066 -26.963 3.501 1.00 0.00 H new ATOM 0 HG13 ILE A 45 -18.373 -26.072 4.979 1.00 0.00 H new ATOM 0 HG21 ILE A 45 -19.347 -23.745 4.850 1.00 0.00 H new ATOM 0 HG22 ILE A 45 -19.547 -22.965 3.263 1.00 0.00 H new ATOM 0 HG23 ILE A 45 -20.653 -24.267 3.760 1.00 0.00 H new ATOM 0 HD11 ILE A 45 -20.083 -27.783 4.616 1.00 0.00 H new ATOM 0 HD12 ILE A 45 -20.801 -26.156 4.541 1.00 0.00 H new ATOM 0 HD13 ILE A 45 -20.489 -27.061 3.041 1.00 0.00 H new ATOM 665 N ASP A 46 -20.171 -23.404 0.474 1.00 0.00 N ATOM 666 CA ASP A 46 -20.257 -22.147 -0.260 1.00 0.00 C ATOM 667 C ASP A 46 -21.187 -21.166 0.447 1.00 0.00 C ATOM 668 O ASP A 46 -21.695 -21.449 1.531 1.00 0.00 O ATOM 669 CB ASP A 46 -20.751 -22.398 -1.686 1.00 0.00 C ATOM 670 CG ASP A 46 -21.965 -23.306 -1.728 1.00 0.00 C ATOM 671 OD1 ASP A 46 -21.807 -24.519 -1.480 1.00 0.00 O ATOM 672 OD2 ASP A 46 -23.073 -22.802 -2.008 1.00 0.00 O ATOM 0 H ASP A 46 -21.059 -23.895 0.574 1.00 0.00 H new ATOM 0 HA ASP A 46 -19.259 -21.710 -0.300 1.00 0.00 H new ATOM 0 HB2 ASP A 46 -20.997 -21.445 -2.155 1.00 0.00 H new ATOM 0 HB3 ASP A 46 -19.947 -22.844 -2.272 1.00 0.00 H new ATOM 677 N GLY A 47 -21.404 -20.011 -0.174 1.00 0.00 N ATOM 678 CA GLY A 47 -22.271 -19.005 0.412 1.00 0.00 C ATOM 679 C GLY A 47 -23.669 -19.527 0.675 1.00 0.00 C ATOM 680 O GLY A 47 -24.228 -19.309 1.749 1.00 0.00 O ATOM 0 H GLY A 47 -20.995 -19.754 -1.072 1.00 0.00 H new ATOM 0 HA2 GLY A 47 -21.835 -18.655 1.348 1.00 0.00 H new ATOM 0 HA3 GLY A 47 -22.327 -18.145 -0.255 1.00 0.00 H new ATOM 684 N ASN A 48 -24.236 -20.217 -0.310 1.00 0.00 N ATOM 685 CA ASN A 48 -25.580 -20.770 -0.180 1.00 0.00 C ATOM 686 C ASN A 48 -25.621 -21.855 0.892 1.00 0.00 C ATOM 687 O ASN A 48 -26.663 -22.104 1.499 1.00 0.00 O ATOM 688 CB ASN A 48 -26.050 -21.342 -1.519 1.00 0.00 C ATOM 689 CG ASN A 48 -27.544 -21.185 -1.722 1.00 0.00 C ATOM 690 OD1 ASN A 48 -28.069 -20.072 -1.720 1.00 0.00 O ATOM 691 ND2 ASN A 48 -28.237 -22.304 -1.899 1.00 0.00 N ATOM 0 H ASN A 48 -23.786 -20.406 -1.206 1.00 0.00 H new ATOM 0 HA ASN A 48 -26.250 -19.964 0.119 1.00 0.00 H new ATOM 0 HB2 ASN A 48 -25.521 -20.842 -2.330 1.00 0.00 H new ATOM 0 HB3 ASN A 48 -25.788 -22.399 -1.572 1.00 0.00 H new ATOM 0 HD21 ASN A 48 -29.246 -22.262 -2.041 1.00 0.00 H new ATOM 0 HD22 ASN A 48 -27.760 -23.206 -1.893 1.00 0.00 H new ATOM 698 N LEU A 49 -24.480 -22.497 1.120 1.00 0.00 N ATOM 699 CA LEU A 49 -24.385 -23.555 2.119 1.00 0.00 C ATOM 700 C LEU A 49 -24.285 -22.970 3.524 1.00 0.00 C ATOM 701 O LEU A 49 -24.937 -23.446 4.454 1.00 0.00 O ATOM 702 CB LEU A 49 -23.171 -24.442 1.836 1.00 0.00 C ATOM 703 CG LEU A 49 -23.263 -25.885 2.335 1.00 0.00 C ATOM 704 CD1 LEU A 49 -23.380 -25.918 3.851 1.00 0.00 C ATOM 705 CD2 LEU A 49 -24.443 -26.597 1.692 1.00 0.00 C ATOM 0 H LEU A 49 -23.609 -22.303 0.627 1.00 0.00 H new ATOM 0 HA LEU A 49 -25.291 -24.159 2.061 1.00 0.00 H new ATOM 0 HB2 LEU A 49 -23.003 -24.461 0.759 1.00 0.00 H new ATOM 0 HB3 LEU A 49 -22.294 -23.978 2.287 1.00 0.00 H new ATOM 0 HG LEU A 49 -22.350 -26.407 2.050 1.00 0.00 H new ATOM 0 HD11 LEU A 49 -23.444 -26.952 4.189 1.00 0.00 H new ATOM 0 HD12 LEU A 49 -22.503 -25.446 4.294 1.00 0.00 H new ATOM 0 HD13 LEU A 49 -24.276 -25.380 4.159 1.00 0.00 H new ATOM 0 HD21 LEU A 49 -24.493 -27.622 2.059 1.00 0.00 H new ATOM 0 HD22 LEU A 49 -25.366 -26.075 1.947 1.00 0.00 H new ATOM 0 HD23 LEU A 49 -24.317 -26.605 0.609 1.00 0.00 H new ATOM 717 N LEU A 50 -23.467 -21.934 3.671 1.00 0.00 N ATOM 718 CA LEU A 50 -23.283 -21.281 4.963 1.00 0.00 C ATOM 719 C LEU A 50 -24.612 -20.765 5.505 1.00 0.00 C ATOM 720 O LEU A 50 -24.962 -21.014 6.659 1.00 0.00 O ATOM 721 CB LEU A 50 -22.287 -20.127 4.836 1.00 0.00 C ATOM 722 CG LEU A 50 -22.219 -19.166 6.024 1.00 0.00 C ATOM 723 CD1 LEU A 50 -21.997 -19.933 7.318 1.00 0.00 C ATOM 724 CD2 LEU A 50 -21.116 -18.138 5.815 1.00 0.00 C ATOM 0 H LEU A 50 -22.920 -21.528 2.912 1.00 0.00 H new ATOM 0 HA LEU A 50 -22.888 -22.017 5.663 1.00 0.00 H new ATOM 0 HB2 LEU A 50 -21.294 -20.547 4.676 1.00 0.00 H new ATOM 0 HB3 LEU A 50 -22.538 -19.553 3.944 1.00 0.00 H new ATOM 0 HG LEU A 50 -23.170 -18.639 6.097 1.00 0.00 H new ATOM 0 HD11 LEU A 50 -21.951 -19.233 8.152 1.00 0.00 H new ATOM 0 HD12 LEU A 50 -22.820 -20.630 7.474 1.00 0.00 H new ATOM 0 HD13 LEU A 50 -21.060 -20.486 7.257 1.00 0.00 H new ATOM 0 HD21 LEU A 50 -21.082 -17.462 6.670 1.00 0.00 H new ATOM 0 HD22 LEU A 50 -20.158 -18.648 5.717 1.00 0.00 H new ATOM 0 HD23 LEU A 50 -21.318 -17.567 4.909 1.00 0.00 H new ATOM 736 N VAL A 51 -25.349 -20.045 4.665 1.00 0.00 N ATOM 737 CA VAL A 51 -26.641 -19.496 5.059 1.00 0.00 C ATOM 738 C VAL A 51 -27.594 -20.600 5.505 1.00 0.00 C ATOM 739 O VAL A 51 -28.511 -20.361 6.290 1.00 0.00 O ATOM 740 CB VAL A 51 -27.290 -18.706 3.908 1.00 0.00 C ATOM 741 CG1 VAL A 51 -26.429 -17.511 3.528 1.00 0.00 C ATOM 742 CG2 VAL A 51 -27.522 -19.610 2.706 1.00 0.00 C ATOM 0 H VAL A 51 -25.073 -19.828 3.707 1.00 0.00 H new ATOM 0 HA VAL A 51 -26.456 -18.820 5.894 1.00 0.00 H new ATOM 0 HB VAL A 51 -28.257 -18.334 4.246 1.00 0.00 H new ATOM 0 HG11 VAL A 51 -26.904 -16.965 2.713 1.00 0.00 H new ATOM 0 HG12 VAL A 51 -26.319 -16.853 4.390 1.00 0.00 H new ATOM 0 HG13 VAL A 51 -25.446 -17.858 3.208 1.00 0.00 H new ATOM 0 HG21 VAL A 51 -27.981 -19.035 1.902 1.00 0.00 H new ATOM 0 HG22 VAL A 51 -26.569 -20.014 2.365 1.00 0.00 H new ATOM 0 HG23 VAL A 51 -28.182 -20.430 2.989 1.00 0.00 H new ATOM 752 N GLN A 52 -27.370 -21.808 4.997 1.00 0.00 N ATOM 753 CA GLN A 52 -28.210 -22.948 5.343 1.00 0.00 C ATOM 754 C GLN A 52 -27.750 -23.587 6.649 1.00 0.00 C ATOM 755 O GLN A 52 -28.550 -24.165 7.386 1.00 0.00 O ATOM 756 CB GLN A 52 -28.187 -23.985 4.218 1.00 0.00 C ATOM 757 CG GLN A 52 -29.055 -23.610 3.027 1.00 0.00 C ATOM 758 CD GLN A 52 -28.759 -24.451 1.801 1.00 0.00 C ATOM 759 OE1 GLN A 52 -28.550 -23.924 0.708 1.00 0.00 O ATOM 760 NE2 GLN A 52 -28.738 -25.767 1.977 1.00 0.00 N ATOM 0 H GLN A 52 -26.615 -22.022 4.345 1.00 0.00 H new ATOM 0 HA GLN A 52 -29.230 -22.588 5.476 1.00 0.00 H new ATOM 0 HB2 GLN A 52 -27.159 -24.120 3.880 1.00 0.00 H new ATOM 0 HB3 GLN A 52 -28.521 -24.945 4.613 1.00 0.00 H new ATOM 0 HG2 GLN A 52 -30.105 -23.725 3.297 1.00 0.00 H new ATOM 0 HG3 GLN A 52 -28.901 -22.558 2.787 1.00 0.00 H new ATOM 0 HE21 GLN A 52 -28.917 -26.161 2.901 1.00 0.00 H new ATOM 0 HE22 GLN A 52 -28.543 -26.384 1.188 1.00 0.00 H new ATOM 769 N LEU A 53 -26.456 -23.481 6.929 1.00 0.00 N ATOM 770 CA LEU A 53 -25.888 -24.049 8.147 1.00 0.00 C ATOM 771 C LEU A 53 -26.528 -23.432 9.386 1.00 0.00 C ATOM 772 O LEU A 53 -26.812 -22.234 9.421 1.00 0.00 O ATOM 773 CB LEU A 53 -24.374 -23.830 8.178 1.00 0.00 C ATOM 774 CG LEU A 53 -23.542 -24.769 7.305 1.00 0.00 C ATOM 775 CD1 LEU A 53 -22.108 -24.272 7.202 1.00 0.00 C ATOM 776 CD2 LEU A 53 -23.579 -26.186 7.860 1.00 0.00 C ATOM 0 H LEU A 53 -25.780 -23.007 6.330 1.00 0.00 H new ATOM 0 HA LEU A 53 -26.094 -25.119 8.149 1.00 0.00 H new ATOM 0 HB2 LEU A 53 -24.169 -22.804 7.871 1.00 0.00 H new ATOM 0 HB3 LEU A 53 -24.034 -23.928 9.209 1.00 0.00 H new ATOM 0 HG LEU A 53 -23.973 -24.781 6.304 1.00 0.00 H new ATOM 0 HD11 LEU A 53 -21.531 -24.953 6.577 1.00 0.00 H new ATOM 0 HD12 LEU A 53 -22.099 -23.276 6.758 1.00 0.00 H new ATOM 0 HD13 LEU A 53 -21.665 -24.230 8.197 1.00 0.00 H new ATOM 0 HD21 LEU A 53 -22.981 -26.841 7.226 1.00 0.00 H new ATOM 0 HD22 LEU A 53 -23.173 -26.191 8.872 1.00 0.00 H new ATOM 0 HD23 LEU A 53 -24.609 -26.542 7.880 1.00 0.00 H new ATOM 788 N THR A 54 -26.753 -24.257 10.404 1.00 0.00 N ATOM 789 CA THR A 54 -27.358 -23.793 11.646 1.00 0.00 C ATOM 790 C THR A 54 -26.442 -24.055 12.836 1.00 0.00 C ATOM 791 O THR A 54 -25.524 -24.869 12.755 1.00 0.00 O ATOM 792 CB THR A 54 -28.716 -24.475 11.897 1.00 0.00 C ATOM 793 OG1 THR A 54 -28.565 -25.898 11.860 1.00 0.00 O ATOM 794 CG2 THR A 54 -29.740 -24.041 10.859 1.00 0.00 C ATOM 0 H THR A 54 -26.525 -25.251 10.392 1.00 0.00 H new ATOM 0 HA THR A 54 -27.513 -22.719 11.541 1.00 0.00 H new ATOM 0 HB THR A 54 -29.071 -24.174 12.883 1.00 0.00 H new ATOM 0 HG1 THR A 54 -29.433 -26.323 12.022 1.00 0.00 H new ATOM 0 HG21 THR A 54 -30.691 -24.536 11.057 1.00 0.00 H new ATOM 0 HG22 THR A 54 -29.875 -22.961 10.911 1.00 0.00 H new ATOM 0 HG23 THR A 54 -29.389 -24.315 9.864 1.00 0.00 H new ATOM 802 N GLU A 55 -26.700 -23.360 13.939 1.00 0.00 N ATOM 803 CA GLU A 55 -25.897 -23.519 15.146 1.00 0.00 C ATOM 804 C GLU A 55 -25.868 -24.978 15.592 1.00 0.00 C ATOM 805 O GLU A 55 -24.895 -25.434 16.192 1.00 0.00 O ATOM 806 CB GLU A 55 -26.449 -22.641 16.272 1.00 0.00 C ATOM 807 CG GLU A 55 -25.384 -22.145 17.235 1.00 0.00 C ATOM 808 CD GLU A 55 -25.888 -21.041 18.144 1.00 0.00 C ATOM 809 OE1 GLU A 55 -27.014 -20.552 17.914 1.00 0.00 O ATOM 810 OE2 GLU A 55 -25.157 -20.666 19.084 1.00 0.00 O ATOM 0 H GLU A 55 -27.458 -22.682 14.022 1.00 0.00 H new ATOM 0 HA GLU A 55 -24.878 -23.207 14.917 1.00 0.00 H new ATOM 0 HB2 GLU A 55 -26.960 -21.783 15.835 1.00 0.00 H new ATOM 0 HB3 GLU A 55 -27.196 -23.206 16.829 1.00 0.00 H new ATOM 0 HG2 GLU A 55 -25.032 -22.979 17.843 1.00 0.00 H new ATOM 0 HG3 GLU A 55 -24.528 -21.781 16.668 1.00 0.00 H new ATOM 817 N GLU A 56 -26.941 -25.704 15.293 1.00 0.00 N ATOM 818 CA GLU A 56 -27.038 -27.110 15.664 1.00 0.00 C ATOM 819 C GLU A 56 -26.085 -27.961 14.828 1.00 0.00 C ATOM 820 O GLU A 56 -25.409 -28.848 15.350 1.00 0.00 O ATOM 821 CB GLU A 56 -28.473 -27.609 15.487 1.00 0.00 C ATOM 822 CG GLU A 56 -29.486 -26.868 16.344 1.00 0.00 C ATOM 823 CD GLU A 56 -30.820 -26.688 15.647 1.00 0.00 C ATOM 824 OE1 GLU A 56 -31.558 -27.686 15.511 1.00 0.00 O ATOM 825 OE2 GLU A 56 -31.126 -25.549 15.237 1.00 0.00 O ATOM 0 H GLU A 56 -27.754 -25.342 14.795 1.00 0.00 H new ATOM 0 HA GLU A 56 -26.755 -27.203 16.713 1.00 0.00 H new ATOM 0 HB2 GLU A 56 -28.756 -27.511 14.439 1.00 0.00 H new ATOM 0 HB3 GLU A 56 -28.512 -28.671 15.730 1.00 0.00 H new ATOM 0 HG2 GLU A 56 -29.638 -27.415 17.275 1.00 0.00 H new ATOM 0 HG3 GLU A 56 -29.085 -25.890 16.610 1.00 0.00 H new ATOM 832 N ILE A 57 -26.039 -27.683 13.530 1.00 0.00 N ATOM 833 CA ILE A 57 -25.170 -28.422 12.622 1.00 0.00 C ATOM 834 C ILE A 57 -23.705 -28.066 12.852 1.00 0.00 C ATOM 835 O ILE A 57 -22.827 -28.927 12.783 1.00 0.00 O ATOM 836 CB ILE A 57 -25.529 -28.146 11.150 1.00 0.00 C ATOM 837 CG1 ILE A 57 -26.999 -28.481 10.889 1.00 0.00 C ATOM 838 CG2 ILE A 57 -24.625 -28.947 10.225 1.00 0.00 C ATOM 839 CD1 ILE A 57 -27.500 -27.995 9.547 1.00 0.00 C ATOM 0 H ILE A 57 -26.593 -26.952 13.083 1.00 0.00 H new ATOM 0 HA ILE A 57 -25.321 -29.481 12.832 1.00 0.00 H new ATOM 0 HB ILE A 57 -25.376 -27.086 10.947 1.00 0.00 H new ATOM 0 HG12 ILE A 57 -27.133 -29.561 10.949 1.00 0.00 H new ATOM 0 HG13 ILE A 57 -27.609 -28.040 11.677 1.00 0.00 H new ATOM 0 HG21 ILE A 57 -24.891 -28.741 9.188 1.00 0.00 H new ATOM 0 HG22 ILE A 57 -23.586 -28.664 10.396 1.00 0.00 H new ATOM 0 HG23 ILE A 57 -24.749 -30.011 10.427 1.00 0.00 H new ATOM 0 HD11 ILE A 57 -28.549 -28.267 9.430 1.00 0.00 H new ATOM 0 HD12 ILE A 57 -27.398 -26.911 9.491 1.00 0.00 H new ATOM 0 HD13 ILE A 57 -26.915 -28.456 8.751 1.00 0.00 H new ATOM 851 N LEU A 58 -23.448 -26.792 13.128 1.00 0.00 N ATOM 852 CA LEU A 58 -22.089 -26.321 13.371 1.00 0.00 C ATOM 853 C LEU A 58 -21.476 -27.025 14.577 1.00 0.00 C ATOM 854 O LEU A 58 -20.257 -27.156 14.678 1.00 0.00 O ATOM 855 CB LEU A 58 -22.085 -24.807 13.592 1.00 0.00 C ATOM 856 CG LEU A 58 -22.340 -23.947 12.354 1.00 0.00 C ATOM 857 CD1 LEU A 58 -22.830 -22.565 12.757 1.00 0.00 C ATOM 858 CD2 LEU A 58 -21.079 -23.843 11.509 1.00 0.00 C ATOM 0 H LEU A 58 -24.163 -26.067 13.189 1.00 0.00 H new ATOM 0 HA LEU A 58 -21.487 -26.555 12.493 1.00 0.00 H new ATOM 0 HB2 LEU A 58 -22.842 -24.567 14.339 1.00 0.00 H new ATOM 0 HB3 LEU A 58 -21.121 -24.524 14.014 1.00 0.00 H new ATOM 0 HG LEU A 58 -23.116 -24.425 11.756 1.00 0.00 H new ATOM 0 HD11 LEU A 58 -23.006 -21.967 11.863 1.00 0.00 H new ATOM 0 HD12 LEU A 58 -23.758 -22.658 13.320 1.00 0.00 H new ATOM 0 HD13 LEU A 58 -22.077 -22.078 13.377 1.00 0.00 H new ATOM 0 HD21 LEU A 58 -21.279 -23.227 10.632 1.00 0.00 H new ATOM 0 HD22 LEU A 58 -20.283 -23.388 12.098 1.00 0.00 H new ATOM 0 HD23 LEU A 58 -20.771 -24.839 11.191 1.00 0.00 H new ATOM 870 N SER A 59 -22.331 -27.479 15.488 1.00 0.00 N ATOM 871 CA SER A 59 -21.874 -28.168 16.689 1.00 0.00 C ATOM 872 C SER A 59 -22.023 -29.679 16.538 1.00 0.00 C ATOM 873 O SER A 59 -21.292 -30.451 17.158 1.00 0.00 O ATOM 874 CB SER A 59 -22.659 -27.686 17.910 1.00 0.00 C ATOM 875 OG SER A 59 -22.153 -28.263 19.102 1.00 0.00 O ATOM 0 H SER A 59 -23.344 -27.382 15.417 1.00 0.00 H new ATOM 0 HA SER A 59 -20.818 -27.937 16.831 1.00 0.00 H new ATOM 0 HB2 SER A 59 -22.604 -26.599 17.976 1.00 0.00 H new ATOM 0 HB3 SER A 59 -23.712 -27.945 17.795 1.00 0.00 H new ATOM 0 HG SER A 59 -22.671 -27.938 19.868 1.00 0.00 H new ATOM 881 N GLU A 60 -22.976 -30.093 15.708 1.00 0.00 N ATOM 882 CA GLU A 60 -23.222 -31.512 15.476 1.00 0.00 C ATOM 883 C GLU A 60 -22.171 -32.100 14.539 1.00 0.00 C ATOM 884 O GLU A 60 -21.444 -33.023 14.906 1.00 0.00 O ATOM 885 CB GLU A 60 -24.620 -31.720 14.888 1.00 0.00 C ATOM 886 CG GLU A 60 -25.717 -31.791 15.937 1.00 0.00 C ATOM 887 CD GLU A 60 -26.431 -33.128 15.944 1.00 0.00 C ATOM 888 OE1 GLU A 60 -27.302 -33.339 15.074 1.00 0.00 O ATOM 889 OE2 GLU A 60 -26.120 -33.964 16.818 1.00 0.00 O ATOM 0 H GLU A 60 -23.589 -29.467 15.186 1.00 0.00 H new ATOM 0 HA GLU A 60 -23.158 -32.028 16.434 1.00 0.00 H new ATOM 0 HB2 GLU A 60 -24.840 -30.905 14.199 1.00 0.00 H new ATOM 0 HB3 GLU A 60 -24.626 -32.641 14.305 1.00 0.00 H new ATOM 0 HG2 GLU A 60 -25.286 -31.608 16.921 1.00 0.00 H new ATOM 0 HG3 GLU A 60 -26.441 -30.997 15.754 1.00 0.00 H new ATOM 896 N ASP A 61 -22.099 -31.560 13.327 1.00 0.00 N ATOM 897 CA ASP A 61 -21.138 -32.030 12.337 1.00 0.00 C ATOM 898 C ASP A 61 -19.763 -31.414 12.578 1.00 0.00 C ATOM 899 O ASP A 61 -18.848 -32.082 13.059 1.00 0.00 O ATOM 900 CB ASP A 61 -21.621 -31.692 10.925 1.00 0.00 C ATOM 901 CG ASP A 61 -22.145 -32.907 10.186 1.00 0.00 C ATOM 902 OD1 ASP A 61 -22.857 -33.720 10.812 1.00 0.00 O ATOM 903 OD2 ASP A 61 -21.843 -33.046 8.982 1.00 0.00 O ATOM 0 H ASP A 61 -22.695 -30.796 13.007 1.00 0.00 H new ATOM 0 HA ASP A 61 -21.054 -33.112 12.435 1.00 0.00 H new ATOM 0 HB2 ASP A 61 -22.407 -30.939 10.984 1.00 0.00 H new ATOM 0 HB3 ASP A 61 -20.800 -31.252 10.359 1.00 0.00 H new ATOM 908 N PHE A 62 -19.625 -30.136 12.241 1.00 0.00 N ATOM 909 CA PHE A 62 -18.362 -29.430 12.419 1.00 0.00 C ATOM 910 C PHE A 62 -17.849 -29.585 13.848 1.00 0.00 C ATOM 911 O PHE A 62 -16.661 -29.818 14.072 1.00 0.00 O ATOM 912 CB PHE A 62 -18.531 -27.946 12.085 1.00 0.00 C ATOM 913 CG PHE A 62 -18.612 -27.670 10.611 1.00 0.00 C ATOM 914 CD1 PHE A 62 -19.830 -27.712 9.951 1.00 0.00 C ATOM 915 CD2 PHE A 62 -17.471 -27.369 9.885 1.00 0.00 C ATOM 916 CE1 PHE A 62 -19.909 -27.457 8.595 1.00 0.00 C ATOM 917 CE2 PHE A 62 -17.544 -27.113 8.528 1.00 0.00 C ATOM 918 CZ PHE A 62 -18.764 -27.159 7.882 1.00 0.00 C ATOM 0 H PHE A 62 -20.373 -29.568 11.843 1.00 0.00 H new ATOM 0 HA PHE A 62 -17.631 -29.868 11.739 1.00 0.00 H new ATOM 0 HB2 PHE A 62 -19.435 -27.574 12.567 1.00 0.00 H new ATOM 0 HB3 PHE A 62 -17.694 -27.389 12.506 1.00 0.00 H new ATOM 0 HD1 PHE A 62 -20.728 -27.947 10.503 1.00 0.00 H new ATOM 0 HD2 PHE A 62 -16.514 -27.334 10.384 1.00 0.00 H new ATOM 0 HE1 PHE A 62 -20.865 -27.491 8.093 1.00 0.00 H new ATOM 0 HE2 PHE A 62 -16.648 -26.877 7.974 1.00 0.00 H new ATOM 0 HZ PHE A 62 -18.823 -26.962 6.822 1.00 0.00 H new ATOM 928 N LYS A 63 -18.754 -29.455 14.813 1.00 0.00 N ATOM 929 CA LYS A 63 -18.396 -29.581 16.220 1.00 0.00 C ATOM 930 C LYS A 63 -17.309 -28.579 16.597 1.00 0.00 C ATOM 931 O LYS A 63 -16.382 -28.903 17.340 1.00 0.00 O ATOM 932 CB LYS A 63 -17.918 -31.004 16.521 1.00 0.00 C ATOM 933 CG LYS A 63 -18.851 -32.082 15.996 1.00 0.00 C ATOM 934 CD LYS A 63 -19.291 -33.024 17.103 1.00 0.00 C ATOM 935 CE LYS A 63 -18.444 -34.287 17.130 1.00 0.00 C ATOM 936 NZ LYS A 63 -19.282 -35.517 17.160 1.00 0.00 N ATOM 0 H LYS A 63 -19.741 -29.262 14.645 1.00 0.00 H new ATOM 0 HA LYS A 63 -19.284 -29.369 16.815 1.00 0.00 H new ATOM 0 HB2 LYS A 63 -16.929 -31.146 16.084 1.00 0.00 H new ATOM 0 HB3 LYS A 63 -17.810 -31.122 17.599 1.00 0.00 H new ATOM 0 HG2 LYS A 63 -19.727 -31.618 15.542 1.00 0.00 H new ATOM 0 HG3 LYS A 63 -18.349 -32.649 15.212 1.00 0.00 H new ATOM 0 HD2 LYS A 63 -19.219 -32.516 18.065 1.00 0.00 H new ATOM 0 HD3 LYS A 63 -20.338 -33.290 16.961 1.00 0.00 H new ATOM 0 HE2 LYS A 63 -17.798 -34.309 16.253 1.00 0.00 H new ATOM 0 HE3 LYS A 63 -17.794 -34.269 18.005 1.00 0.00 H new ATOM 0 HZ1 LYS A 63 -18.667 -36.356 17.178 1.00 0.00 H new ATOM 0 HZ2 LYS A 63 -19.881 -35.509 18.010 1.00 0.00 H new ATOM 0 HZ3 LYS A 63 -19.884 -35.547 16.313 1.00 0.00 H new ATOM 950 N LEU A 64 -17.431 -27.360 16.083 1.00 0.00 N ATOM 951 CA LEU A 64 -16.460 -26.309 16.367 1.00 0.00 C ATOM 952 C LEU A 64 -16.588 -25.825 17.808 1.00 0.00 C ATOM 953 O LEU A 64 -17.493 -26.236 18.534 1.00 0.00 O ATOM 954 CB LEU A 64 -16.653 -25.136 15.404 1.00 0.00 C ATOM 955 CG LEU A 64 -16.330 -25.413 13.936 1.00 0.00 C ATOM 956 CD1 LEU A 64 -17.361 -24.757 13.030 1.00 0.00 C ATOM 957 CD2 LEU A 64 -14.930 -24.924 13.595 1.00 0.00 C ATOM 0 H LEU A 64 -18.193 -27.075 15.467 1.00 0.00 H new ATOM 0 HA LEU A 64 -15.461 -26.724 16.230 1.00 0.00 H new ATOM 0 HB2 LEU A 64 -17.689 -24.804 15.471 1.00 0.00 H new ATOM 0 HB3 LEU A 64 -16.030 -24.308 15.742 1.00 0.00 H new ATOM 0 HG LEU A 64 -16.366 -26.490 13.774 1.00 0.00 H new ATOM 0 HD11 LEU A 64 -17.115 -24.965 11.989 1.00 0.00 H new ATOM 0 HD12 LEU A 64 -18.350 -25.156 13.256 1.00 0.00 H new ATOM 0 HD13 LEU A 64 -17.358 -23.680 13.196 1.00 0.00 H new ATOM 0 HD21 LEU A 64 -14.718 -25.130 12.546 1.00 0.00 H new ATOM 0 HD22 LEU A 64 -14.866 -23.851 13.774 1.00 0.00 H new ATOM 0 HD23 LEU A 64 -14.202 -25.441 14.220 1.00 0.00 H new ATOM 969 N SER A 65 -15.676 -24.948 18.215 1.00 0.00 N ATOM 970 CA SER A 65 -15.685 -24.409 19.570 1.00 0.00 C ATOM 971 C SER A 65 -16.916 -23.537 19.800 1.00 0.00 C ATOM 972 O SER A 65 -17.633 -23.195 18.859 1.00 0.00 O ATOM 973 CB SER A 65 -14.415 -23.596 19.827 1.00 0.00 C ATOM 974 OG SER A 65 -14.012 -23.693 21.182 1.00 0.00 O ATOM 0 H SER A 65 -14.922 -24.596 17.626 1.00 0.00 H new ATOM 0 HA SER A 65 -15.719 -25.246 20.267 1.00 0.00 H new ATOM 0 HB2 SER A 65 -13.614 -23.953 19.180 1.00 0.00 H new ATOM 0 HB3 SER A 65 -14.590 -22.551 19.571 1.00 0.00 H new ATOM 0 HG SER A 65 -13.197 -23.166 21.320 1.00 0.00 H new ATOM 980 N LYS A 66 -17.154 -23.181 21.057 1.00 0.00 N ATOM 981 CA LYS A 66 -18.297 -22.348 21.413 1.00 0.00 C ATOM 982 C LYS A 66 -18.176 -20.962 20.787 1.00 0.00 C ATOM 983 O LYS A 66 -19.119 -20.464 20.170 1.00 0.00 O ATOM 984 CB LYS A 66 -18.409 -22.224 22.935 1.00 0.00 C ATOM 985 CG LYS A 66 -19.749 -21.683 23.403 1.00 0.00 C ATOM 986 CD LYS A 66 -20.595 -22.770 24.045 1.00 0.00 C ATOM 987 CE LYS A 66 -21.844 -22.193 24.694 1.00 0.00 C ATOM 988 NZ LYS A 66 -21.767 -22.235 26.180 1.00 0.00 N ATOM 0 H LYS A 66 -16.571 -23.456 21.847 1.00 0.00 H new ATOM 0 HA LYS A 66 -19.197 -22.825 21.026 1.00 0.00 H new ATOM 0 HB2 LYS A 66 -18.245 -23.203 23.384 1.00 0.00 H new ATOM 0 HB3 LYS A 66 -17.616 -21.570 23.297 1.00 0.00 H new ATOM 0 HG2 LYS A 66 -19.587 -20.876 24.118 1.00 0.00 H new ATOM 0 HG3 LYS A 66 -20.286 -21.255 22.556 1.00 0.00 H new ATOM 0 HD2 LYS A 66 -20.881 -23.503 23.291 1.00 0.00 H new ATOM 0 HD3 LYS A 66 -20.005 -23.297 24.794 1.00 0.00 H new ATOM 0 HE2 LYS A 66 -21.980 -21.162 24.366 1.00 0.00 H new ATOM 0 HE3 LYS A 66 -22.718 -22.752 24.360 1.00 0.00 H new ATOM 0 HZ1 LYS A 66 -22.637 -21.833 26.584 1.00 0.00 H new ATOM 0 HZ2 LYS A 66 -21.663 -23.221 26.494 1.00 0.00 H new ATOM 0 HZ3 LYS A 66 -20.948 -21.681 26.501 1.00 0.00 H new ATOM 1002 N LEU A 67 -17.011 -20.345 20.948 1.00 0.00 N ATOM 1003 CA LEU A 67 -16.766 -19.016 20.397 1.00 0.00 C ATOM 1004 C LEU A 67 -16.957 -19.011 18.884 1.00 0.00 C ATOM 1005 O LEU A 67 -17.571 -18.100 18.330 1.00 0.00 O ATOM 1006 CB LEU A 67 -15.351 -18.551 20.746 1.00 0.00 C ATOM 1007 CG LEU A 67 -15.253 -17.301 21.622 1.00 0.00 C ATOM 1008 CD1 LEU A 67 -15.915 -16.116 20.937 1.00 0.00 C ATOM 1009 CD2 LEU A 67 -15.883 -17.553 22.984 1.00 0.00 C ATOM 0 H LEU A 67 -16.221 -20.743 21.455 1.00 0.00 H new ATOM 0 HA LEU A 67 -17.487 -18.328 20.838 1.00 0.00 H new ATOM 0 HB2 LEU A 67 -14.836 -19.367 21.253 1.00 0.00 H new ATOM 0 HB3 LEU A 67 -14.812 -18.363 19.817 1.00 0.00 H new ATOM 0 HG LEU A 67 -14.199 -17.066 21.770 1.00 0.00 H new ATOM 0 HD11 LEU A 67 -15.835 -15.236 21.575 1.00 0.00 H new ATOM 0 HD12 LEU A 67 -15.418 -15.921 19.986 1.00 0.00 H new ATOM 0 HD13 LEU A 67 -16.967 -16.340 20.758 1.00 0.00 H new ATOM 0 HD21 LEU A 67 -15.804 -16.653 23.594 1.00 0.00 H new ATOM 0 HD22 LEU A 67 -16.934 -17.814 22.856 1.00 0.00 H new ATOM 0 HD23 LEU A 67 -15.363 -18.373 23.479 1.00 0.00 H new ATOM 1021 N GLN A 68 -16.428 -20.035 18.222 1.00 0.00 N ATOM 1022 CA GLN A 68 -16.542 -20.149 16.773 1.00 0.00 C ATOM 1023 C GLN A 68 -18.002 -20.262 16.349 1.00 0.00 C ATOM 1024 O GLN A 68 -18.485 -19.477 15.533 1.00 0.00 O ATOM 1025 CB GLN A 68 -15.757 -21.363 16.272 1.00 0.00 C ATOM 1026 CG GLN A 68 -14.309 -21.052 15.930 1.00 0.00 C ATOM 1027 CD GLN A 68 -13.398 -22.250 16.107 1.00 0.00 C ATOM 1028 OE1 GLN A 68 -13.847 -23.338 16.468 1.00 0.00 O ATOM 1029 NE2 GLN A 68 -12.109 -22.057 15.852 1.00 0.00 N ATOM 0 H GLN A 68 -15.916 -20.797 18.666 1.00 0.00 H new ATOM 0 HA GLN A 68 -16.123 -19.246 16.329 1.00 0.00 H new ATOM 0 HB2 GLN A 68 -15.782 -22.142 17.034 1.00 0.00 H new ATOM 0 HB3 GLN A 68 -16.252 -21.766 15.388 1.00 0.00 H new ATOM 0 HG2 GLN A 68 -14.250 -20.704 14.899 1.00 0.00 H new ATOM 0 HG3 GLN A 68 -13.957 -20.236 16.562 1.00 0.00 H new ATOM 0 HE21 GLN A 68 -11.780 -21.138 15.555 1.00 0.00 H new ATOM 0 HE22 GLN A 68 -11.448 -22.827 15.953 1.00 0.00 H new ATOM 1038 N VAL A 69 -18.701 -21.245 16.908 1.00 0.00 N ATOM 1039 CA VAL A 69 -20.107 -21.460 16.589 1.00 0.00 C ATOM 1040 C VAL A 69 -20.930 -20.205 16.855 1.00 0.00 C ATOM 1041 O VAL A 69 -21.938 -19.957 16.192 1.00 0.00 O ATOM 1042 CB VAL A 69 -20.695 -22.629 17.403 1.00 0.00 C ATOM 1043 CG1 VAL A 69 -22.162 -22.836 17.057 1.00 0.00 C ATOM 1044 CG2 VAL A 69 -19.896 -23.901 17.161 1.00 0.00 C ATOM 0 H VAL A 69 -18.316 -21.905 17.584 1.00 0.00 H new ATOM 0 HA VAL A 69 -20.157 -21.704 15.528 1.00 0.00 H new ATOM 0 HB VAL A 69 -20.628 -22.382 18.462 1.00 0.00 H new ATOM 0 HG11 VAL A 69 -22.560 -23.665 17.641 1.00 0.00 H new ATOM 0 HG12 VAL A 69 -22.721 -21.929 17.286 1.00 0.00 H new ATOM 0 HG13 VAL A 69 -22.257 -23.062 15.995 1.00 0.00 H new ATOM 0 HG21 VAL A 69 -20.325 -24.716 17.743 1.00 0.00 H new ATOM 0 HG22 VAL A 69 -19.929 -24.155 16.102 1.00 0.00 H new ATOM 0 HG23 VAL A 69 -18.861 -23.744 17.464 1.00 0.00 H new ATOM 1054 N LYS A 70 -20.495 -19.415 17.830 1.00 0.00 N ATOM 1055 CA LYS A 70 -21.189 -18.183 18.185 1.00 0.00 C ATOM 1056 C LYS A 70 -20.861 -17.069 17.196 1.00 0.00 C ATOM 1057 O LYS A 70 -21.701 -16.217 16.903 1.00 0.00 O ATOM 1058 CB LYS A 70 -20.809 -17.749 19.602 1.00 0.00 C ATOM 1059 CG LYS A 70 -21.849 -16.863 20.267 1.00 0.00 C ATOM 1060 CD LYS A 70 -21.271 -15.508 20.640 1.00 0.00 C ATOM 1061 CE LYS A 70 -22.317 -14.616 21.291 1.00 0.00 C ATOM 1062 NZ LYS A 70 -21.963 -14.280 22.697 1.00 0.00 N ATOM 0 H LYS A 70 -19.664 -19.606 18.389 1.00 0.00 H new ATOM 0 HA LYS A 70 -22.261 -18.376 18.146 1.00 0.00 H new ATOM 0 HB2 LYS A 70 -20.654 -18.637 20.216 1.00 0.00 H new ATOM 0 HB3 LYS A 70 -19.859 -17.216 19.567 1.00 0.00 H new ATOM 0 HG2 LYS A 70 -22.695 -16.726 19.594 1.00 0.00 H new ATOM 0 HG3 LYS A 70 -22.230 -17.356 21.162 1.00 0.00 H new ATOM 0 HD2 LYS A 70 -20.432 -15.644 21.322 1.00 0.00 H new ATOM 0 HD3 LYS A 70 -20.880 -15.020 19.747 1.00 0.00 H new ATOM 0 HE2 LYS A 70 -22.421 -13.697 20.713 1.00 0.00 H new ATOM 0 HE3 LYS A 70 -23.285 -15.117 21.270 1.00 0.00 H new ATOM 0 HZ1 LYS A 70 -22.701 -13.671 23.105 1.00 0.00 H new ATOM 0 HZ2 LYS A 70 -21.889 -15.155 23.255 1.00 0.00 H new ATOM 0 HZ3 LYS A 70 -21.052 -13.779 22.715 1.00 0.00 H new ATOM 1076 N LYS A 71 -19.636 -17.082 16.682 1.00 0.00 N ATOM 1077 CA LYS A 71 -19.197 -16.076 15.723 1.00 0.00 C ATOM 1078 C LYS A 71 -19.791 -16.343 14.344 1.00 0.00 C ATOM 1079 O LYS A 71 -20.356 -15.446 13.717 1.00 0.00 O ATOM 1080 CB LYS A 71 -17.669 -16.056 15.637 1.00 0.00 C ATOM 1081 CG LYS A 71 -17.061 -14.697 15.936 1.00 0.00 C ATOM 1082 CD LYS A 71 -15.563 -14.796 16.172 1.00 0.00 C ATOM 1083 CE LYS A 71 -15.230 -14.765 17.656 1.00 0.00 C ATOM 1084 NZ LYS A 71 -13.870 -14.213 17.908 1.00 0.00 N ATOM 0 H LYS A 71 -18.929 -17.779 16.914 1.00 0.00 H new ATOM 0 HA LYS A 71 -19.548 -15.104 16.068 1.00 0.00 H new ATOM 0 HB2 LYS A 71 -17.264 -16.788 16.337 1.00 0.00 H new ATOM 0 HB3 LYS A 71 -17.366 -16.369 14.638 1.00 0.00 H new ATOM 0 HG2 LYS A 71 -17.255 -14.020 15.104 1.00 0.00 H new ATOM 0 HG3 LYS A 71 -17.541 -14.268 16.815 1.00 0.00 H new ATOM 0 HD2 LYS A 71 -15.184 -15.719 15.732 1.00 0.00 H new ATOM 0 HD3 LYS A 71 -15.059 -13.972 15.667 1.00 0.00 H new ATOM 0 HE2 LYS A 71 -15.970 -14.162 18.182 1.00 0.00 H new ATOM 0 HE3 LYS A 71 -15.294 -15.774 18.064 1.00 0.00 H new ATOM 0 HZ1 LYS A 71 -13.681 -14.209 18.931 1.00 0.00 H new ATOM 0 HZ2 LYS A 71 -13.161 -14.803 17.428 1.00 0.00 H new ATOM 0 HZ3 LYS A 71 -13.817 -13.241 17.542 1.00 0.00 H new ATOM 1098 N ILE A 72 -19.661 -17.580 13.878 1.00 0.00 N ATOM 1099 CA ILE A 72 -20.188 -17.965 12.574 1.00 0.00 C ATOM 1100 C ILE A 72 -21.675 -17.644 12.466 1.00 0.00 C ATOM 1101 O ILE A 72 -22.130 -17.094 11.463 1.00 0.00 O ATOM 1102 CB ILE A 72 -19.976 -19.466 12.302 1.00 0.00 C ATOM 1103 CG1 ILE A 72 -18.489 -19.817 12.385 1.00 0.00 C ATOM 1104 CG2 ILE A 72 -20.539 -19.841 10.939 1.00 0.00 C ATOM 1105 CD1 ILE A 72 -18.225 -21.302 12.505 1.00 0.00 C ATOM 0 H ILE A 72 -19.195 -18.333 14.384 1.00 0.00 H new ATOM 0 HA ILE A 72 -19.640 -17.389 11.829 1.00 0.00 H new ATOM 0 HB ILE A 72 -20.507 -20.037 13.063 1.00 0.00 H new ATOM 0 HG12 ILE A 72 -17.984 -19.437 11.497 1.00 0.00 H new ATOM 0 HG13 ILE A 72 -18.051 -19.308 13.243 1.00 0.00 H new ATOM 0 HG21 ILE A 72 -20.382 -20.905 10.761 1.00 0.00 H new ATOM 0 HG22 ILE A 72 -21.607 -19.623 10.914 1.00 0.00 H new ATOM 0 HG23 ILE A 72 -20.032 -19.265 10.165 1.00 0.00 H new ATOM 0 HD11 ILE A 72 -17.151 -21.477 12.559 1.00 0.00 H new ATOM 0 HD12 ILE A 72 -18.701 -21.684 13.408 1.00 0.00 H new ATOM 0 HD13 ILE A 72 -18.633 -21.816 11.634 1.00 0.00 H new ATOM 1117 N MET A 73 -22.426 -17.991 13.505 1.00 0.00 N ATOM 1118 CA MET A 73 -23.862 -17.737 13.528 1.00 0.00 C ATOM 1119 C MET A 73 -24.156 -16.255 13.320 1.00 0.00 C ATOM 1120 O MET A 73 -24.992 -15.889 12.495 1.00 0.00 O ATOM 1121 CB MET A 73 -24.464 -18.207 14.853 1.00 0.00 C ATOM 1122 CG MET A 73 -25.201 -19.533 14.750 1.00 0.00 C ATOM 1123 SD MET A 73 -26.959 -19.325 14.409 1.00 0.00 S ATOM 1124 CE MET A 73 -26.945 -19.196 12.622 1.00 0.00 C ATOM 0 H MET A 73 -22.065 -18.449 14.342 1.00 0.00 H new ATOM 0 HA MET A 73 -24.317 -18.297 12.711 1.00 0.00 H new ATOM 0 HB2 MET A 73 -23.668 -18.300 15.592 1.00 0.00 H new ATOM 0 HB3 MET A 73 -25.152 -17.446 15.220 1.00 0.00 H new ATOM 0 HG2 MET A 73 -24.750 -20.134 13.961 1.00 0.00 H new ATOM 0 HG3 MET A 73 -25.078 -20.086 15.681 1.00 0.00 H new ATOM 0 HE1 MET A 73 -27.954 -19.348 12.238 1.00 0.00 H new ATOM 0 HE2 MET A 73 -26.592 -18.207 12.331 1.00 0.00 H new ATOM 0 HE3 MET A 73 -26.281 -19.954 12.208 1.00 0.00 H new ATOM 1134 N GLN A 74 -23.463 -15.408 14.074 1.00 0.00 N ATOM 1135 CA GLN A 74 -23.651 -13.965 13.973 1.00 0.00 C ATOM 1136 C GLN A 74 -23.379 -13.480 12.553 1.00 0.00 C ATOM 1137 O GLN A 74 -23.973 -12.503 12.095 1.00 0.00 O ATOM 1138 CB GLN A 74 -22.733 -13.239 14.957 1.00 0.00 C ATOM 1139 CG GLN A 74 -23.348 -13.046 16.334 1.00 0.00 C ATOM 1140 CD GLN A 74 -24.137 -11.757 16.446 1.00 0.00 C ATOM 1141 OE1 GLN A 74 -24.869 -11.382 15.529 1.00 0.00 O ATOM 1142 NE2 GLN A 74 -23.991 -11.068 17.572 1.00 0.00 N ATOM 0 H GLN A 74 -22.766 -15.696 14.761 1.00 0.00 H new ATOM 0 HA GLN A 74 -24.688 -13.741 14.223 1.00 0.00 H new ATOM 0 HB2 GLN A 74 -21.805 -13.802 15.058 1.00 0.00 H new ATOM 0 HB3 GLN A 74 -22.471 -12.264 14.545 1.00 0.00 H new ATOM 0 HG2 GLN A 74 -24.003 -13.889 16.556 1.00 0.00 H new ATOM 0 HG3 GLN A 74 -22.557 -13.050 17.084 1.00 0.00 H new ATOM 0 HE21 GLN A 74 -23.374 -11.415 18.306 1.00 0.00 H new ATOM 0 HE22 GLN A 74 -24.496 -10.191 17.703 1.00 0.00 H new ATOM 1151 N PHE A 75 -22.478 -14.167 11.860 1.00 0.00 N ATOM 1152 CA PHE A 75 -22.126 -13.805 10.492 1.00 0.00 C ATOM 1153 C PHE A 75 -23.269 -14.126 9.533 1.00 0.00 C ATOM 1154 O PHE A 75 -23.566 -13.350 8.624 1.00 0.00 O ATOM 1155 CB PHE A 75 -20.858 -14.543 10.056 1.00 0.00 C ATOM 1156 CG PHE A 75 -20.326 -14.088 8.727 1.00 0.00 C ATOM 1157 CD1 PHE A 75 -19.643 -12.888 8.614 1.00 0.00 C ATOM 1158 CD2 PHE A 75 -20.510 -14.861 7.592 1.00 0.00 C ATOM 1159 CE1 PHE A 75 -19.152 -12.467 7.392 1.00 0.00 C ATOM 1160 CE2 PHE A 75 -20.021 -14.444 6.368 1.00 0.00 C ATOM 1161 CZ PHE A 75 -19.342 -13.246 6.268 1.00 0.00 C ATOM 0 H PHE A 75 -21.978 -14.978 12.223 1.00 0.00 H new ATOM 0 HA PHE A 75 -21.941 -12.731 10.464 1.00 0.00 H new ATOM 0 HB2 PHE A 75 -20.087 -14.403 10.814 1.00 0.00 H new ATOM 0 HB3 PHE A 75 -21.068 -15.612 10.008 1.00 0.00 H new ATOM 0 HD1 PHE A 75 -19.492 -12.275 9.490 1.00 0.00 H new ATOM 0 HD2 PHE A 75 -21.041 -15.799 7.664 1.00 0.00 H new ATOM 0 HE1 PHE A 75 -18.620 -11.530 7.317 1.00 0.00 H new ATOM 0 HE2 PHE A 75 -20.170 -15.055 5.490 1.00 0.00 H new ATOM 0 HZ PHE A 75 -18.960 -12.919 5.312 1.00 0.00 H new ATOM 1171 N ILE A 76 -23.905 -15.273 9.743 1.00 0.00 N ATOM 1172 CA ILE A 76 -25.016 -15.696 8.899 1.00 0.00 C ATOM 1173 C ILE A 76 -26.225 -14.785 9.084 1.00 0.00 C ATOM 1174 O ILE A 76 -26.664 -14.122 8.146 1.00 0.00 O ATOM 1175 CB ILE A 76 -25.430 -17.148 9.200 1.00 0.00 C ATOM 1176 CG1 ILE A 76 -24.234 -18.088 9.034 1.00 0.00 C ATOM 1177 CG2 ILE A 76 -26.574 -17.572 8.290 1.00 0.00 C ATOM 1178 CD1 ILE A 76 -24.479 -19.479 9.575 1.00 0.00 C ATOM 0 H ILE A 76 -23.670 -15.926 10.490 1.00 0.00 H new ATOM 0 HA ILE A 76 -24.671 -15.632 7.867 1.00 0.00 H new ATOM 0 HB ILE A 76 -25.772 -17.206 10.233 1.00 0.00 H new ATOM 0 HG12 ILE A 76 -23.981 -18.158 7.976 1.00 0.00 H new ATOM 0 HG13 ILE A 76 -23.370 -17.657 9.540 1.00 0.00 H new ATOM 0 HG21 ILE A 76 -26.856 -18.601 8.515 1.00 0.00 H new ATOM 0 HG22 ILE A 76 -27.430 -16.918 8.453 1.00 0.00 H new ATOM 0 HG23 ILE A 76 -26.257 -17.502 7.250 1.00 0.00 H new ATOM 0 HD11 ILE A 76 -23.589 -20.090 9.423 1.00 0.00 H new ATOM 0 HD12 ILE A 76 -24.702 -19.421 10.640 1.00 0.00 H new ATOM 0 HD13 ILE A 76 -25.322 -19.930 9.052 1.00 0.00 H new ATOM 1190 N ASN A 77 -26.757 -14.758 10.302 1.00 0.00 N ATOM 1191 CA ASN A 77 -27.915 -13.927 10.611 1.00 0.00 C ATOM 1192 C ASN A 77 -27.604 -12.452 10.378 1.00 0.00 C ATOM 1193 O ASN A 77 -28.463 -11.687 9.942 1.00 0.00 O ATOM 1194 CB ASN A 77 -28.353 -14.145 12.061 1.00 0.00 C ATOM 1195 CG ASN A 77 -29.446 -15.189 12.183 1.00 0.00 C ATOM 1196 OD1 ASN A 77 -30.566 -14.989 11.713 1.00 0.00 O ATOM 1197 ND2 ASN A 77 -29.125 -16.310 12.818 1.00 0.00 N ATOM 0 H ASN A 77 -26.405 -15.301 11.090 1.00 0.00 H new ATOM 0 HA ASN A 77 -28.728 -14.218 9.945 1.00 0.00 H new ATOM 0 HB2 ASN A 77 -27.493 -14.452 12.655 1.00 0.00 H new ATOM 0 HB3 ASN A 77 -28.707 -13.202 12.477 1.00 0.00 H new ATOM 0 HD21 ASN A 77 -29.819 -17.048 12.932 1.00 0.00 H new ATOM 0 HD22 ASN A 77 -28.184 -16.433 13.192 1.00 0.00 H new