USER MOD reduce.3.24.130724 H: found=0, std=0, add=663, rem=0, adj=18 USER MOD reduce.3.24.130724 removed 666 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 84 GLN : amide:sc= -0.216 X(o=0.76,f=0.82) USER MOD Set 1.2: A 88 THR OG1 : rot 71:sc= 0.978 USER MOD Single : A 11 LYS NZ :NH3+ -151:sc= 1.11 (180deg=1.05) USER MOD Single : A 14 GLN : amide:sc= -0.157 X(o=-0.16,f=0) USER MOD Single : A 20 ASN : amide:sc= 0.637 K(o=0.64,f=-7.7!) USER MOD Single : A 22 ASN : amide:sc= 0 K(o=0,f=-0.62) USER MOD Single : A 25 MET CE :methyl -157:sc= -0.104 (180deg=-0.686) USER MOD Single : A 26 GLN : amide:sc= 0 K(o=0,f=-1.8!) USER MOD Single : A 42 LYS NZ :NH3+ 165:sc= -0.0193 (180deg=-0.205) USER MOD Single : A 43 THR OG1 : rot 180:sc= 0 USER MOD Single : A 44 SER OG : rot -80:sc= 1.26 USER MOD Single : A 47 TYR OH : rot 180:sc= 0 USER MOD Single : A 49 TYR OH : rot -177:sc= 0.00235 USER MOD Single : A 50 SER OG : rot 180:sc= 0 USER MOD Single : A 51 SER OG : rot 180:sc= 0 USER MOD Single : A 52 HIS : no HD1:sc= 0.619 K(o=0.62,f=-4.4!) USER MOD Single : A 58 LYS NZ :NH3+ 155:sc= 0.842 (180deg=0.484) USER MOD Single : A 59 ASN :FLIP amide:sc= -0.323 F(o=-1.5,f=-0.32) USER MOD Single : A 60 LYS NZ :NH3+ -119:sc= 1.22 (180deg=0.198) USER MOD Single : A 63 TYR OH : rot -15:sc= -0.212 USER MOD Single : A 65 MET CE :methyl 160:sc= -0.513 (180deg=-1.18) USER MOD Single : A 71 GLN : amide:sc= 0 K(o=0,f=-0.75) USER MOD Single : A 73 TYR OH : rot 180:sc= -0.428 USER MOD Single : A 74 TYR OH : rot 180:sc= 0 USER MOD Single : A 75 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 76 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 81 ASN : amide:sc= 0.722 K(o=0.72,f=-1.3!) USER MOD Single : A 83 ASN : amide:sc= -2.83! C(o=-2.8!,f=-6.1!) USER MOD Single : A 89 THR OG1 : rot 71:sc= 1.27 USER MOD ----------------------------------------------------------------- ATOM 84 N ASP A 6 -8.874 9.235 5.629 1.00 0.00 N ATOM 85 CA ASP A 6 -9.423 7.990 5.156 1.00 0.00 C ATOM 86 C ASP A 6 -9.549 7.004 6.314 1.00 0.00 C ATOM 87 O ASP A 6 -8.569 6.753 7.033 1.00 0.00 O ATOM 88 CB ASP A 6 -8.539 7.399 4.068 1.00 0.00 C ATOM 89 CG ASP A 6 -9.145 6.179 3.444 1.00 0.00 C ATOM 90 OD1 ASP A 6 -9.019 5.099 4.003 1.00 0.00 O ATOM 91 OD2 ASP A 6 -9.774 6.312 2.381 1.00 0.00 O ATOM 0 HA ASP A 6 -10.411 8.181 4.738 1.00 0.00 H new ATOM 0 HB2 ASP A 6 -8.364 8.150 3.297 1.00 0.00 H new ATOM 0 HB3 ASP A 6 -7.567 7.144 4.491 1.00 0.00 H new ATOM 96 N PRO A 7 -10.747 6.427 6.523 1.00 0.00 N ATOM 97 CA PRO A 7 -10.992 5.500 7.624 1.00 0.00 C ATOM 98 C PRO A 7 -10.317 4.138 7.435 1.00 0.00 C ATOM 99 O PRO A 7 -10.058 3.424 8.401 1.00 0.00 O ATOM 100 CB PRO A 7 -12.513 5.324 7.643 1.00 0.00 C ATOM 101 CG PRO A 7 -13.056 6.308 6.660 1.00 0.00 C ATOM 102 CD PRO A 7 -11.950 6.620 5.706 1.00 0.00 C ATOM 0 HA PRO A 7 -10.579 5.896 8.552 1.00 0.00 H new ATOM 0 HB2 PRO A 7 -12.791 4.306 7.370 1.00 0.00 H new ATOM 0 HB3 PRO A 7 -12.914 5.507 8.640 1.00 0.00 H new ATOM 0 HG2 PRO A 7 -13.916 5.894 6.133 1.00 0.00 H new ATOM 0 HG3 PRO A 7 -13.397 7.212 7.166 1.00 0.00 H new ATOM 0 HD2 PRO A 7 -11.962 5.955 4.842 1.00 0.00 H new ATOM 0 HD3 PRO A 7 -12.020 7.639 5.325 1.00 0.00 H new ATOM 110 N GLU A 8 -10.072 3.757 6.210 1.00 0.00 N ATOM 111 CA GLU A 8 -9.435 2.489 5.937 1.00 0.00 C ATOM 112 C GLU A 8 -7.952 2.616 6.224 1.00 0.00 C ATOM 113 O GLU A 8 -7.331 1.729 6.811 1.00 0.00 O ATOM 114 CB GLU A 8 -9.697 2.054 4.501 1.00 0.00 C ATOM 115 CG GLU A 8 -11.172 2.029 4.142 1.00 0.00 C ATOM 116 CD GLU A 8 -11.989 1.102 5.016 1.00 0.00 C ATOM 117 OE1 GLU A 8 -12.386 1.508 6.137 1.00 0.00 O ATOM 118 OE2 GLU A 8 -12.289 -0.028 4.585 1.00 0.00 O ATOM 0 H GLU A 8 -10.303 4.305 5.381 1.00 0.00 H new ATOM 0 HA GLU A 8 -9.853 1.716 6.582 1.00 0.00 H new ATOM 0 HB2 GLU A 8 -9.176 2.730 3.823 1.00 0.00 H new ATOM 0 HB3 GLU A 8 -9.275 1.061 4.347 1.00 0.00 H new ATOM 0 HG2 GLU A 8 -11.574 3.039 4.221 1.00 0.00 H new ATOM 0 HG3 GLU A 8 -11.280 1.723 3.101 1.00 0.00 H new ATOM 125 N PHE A 9 -7.408 3.760 5.839 1.00 0.00 N ATOM 126 CA PHE A 9 -6.003 4.088 6.049 1.00 0.00 C ATOM 127 C PHE A 9 -5.650 4.069 7.537 1.00 0.00 C ATOM 128 O PHE A 9 -4.595 3.552 7.936 1.00 0.00 O ATOM 129 CB PHE A 9 -5.677 5.457 5.434 1.00 0.00 C ATOM 130 CG PHE A 9 -4.224 5.834 5.500 1.00 0.00 C ATOM 131 CD1 PHE A 9 -3.335 5.365 4.552 1.00 0.00 C ATOM 132 CD2 PHE A 9 -3.748 6.651 6.513 1.00 0.00 C ATOM 133 CE1 PHE A 9 -2.000 5.703 4.609 1.00 0.00 C ATOM 134 CE2 PHE A 9 -2.414 6.991 6.575 1.00 0.00 C ATOM 135 CZ PHE A 9 -1.538 6.520 5.624 1.00 0.00 C ATOM 0 H PHE A 9 -7.933 4.496 5.367 1.00 0.00 H new ATOM 0 HA PHE A 9 -5.399 3.329 5.552 1.00 0.00 H new ATOM 0 HB2 PHE A 9 -5.994 5.458 4.391 1.00 0.00 H new ATOM 0 HB3 PHE A 9 -6.262 6.221 5.946 1.00 0.00 H new ATOM 0 HD1 PHE A 9 -3.690 4.726 3.757 1.00 0.00 H new ATOM 0 HD2 PHE A 9 -4.430 7.025 7.262 1.00 0.00 H new ATOM 0 HE1 PHE A 9 -1.316 5.330 3.861 1.00 0.00 H new ATOM 0 HE2 PHE A 9 -2.056 7.628 7.371 1.00 0.00 H new ATOM 0 HZ PHE A 9 -0.493 6.788 5.670 1.00 0.00 H new ATOM 145 N VAL A 10 -6.535 4.604 8.357 1.00 0.00 N ATOM 146 CA VAL A 10 -6.308 4.614 9.790 1.00 0.00 C ATOM 147 C VAL A 10 -6.323 3.166 10.340 1.00 0.00 C ATOM 148 O VAL A 10 -5.559 2.814 11.253 1.00 0.00 O ATOM 149 CB VAL A 10 -7.292 5.563 10.562 1.00 0.00 C ATOM 150 CG1 VAL A 10 -8.714 5.055 10.584 1.00 0.00 C ATOM 151 CG2 VAL A 10 -6.799 5.848 11.959 1.00 0.00 C ATOM 0 H VAL A 10 -7.411 5.034 8.059 1.00 0.00 H new ATOM 0 HA VAL A 10 -5.318 5.035 9.966 1.00 0.00 H new ATOM 0 HB VAL A 10 -7.307 6.499 10.003 1.00 0.00 H new ATOM 0 HG11 VAL A 10 -9.343 5.756 11.133 1.00 0.00 H new ATOM 0 HG12 VAL A 10 -9.082 4.960 9.563 1.00 0.00 H new ATOM 0 HG13 VAL A 10 -8.745 4.081 11.073 1.00 0.00 H new ATOM 0 HG21 VAL A 10 -7.503 6.508 12.466 1.00 0.00 H new ATOM 0 HG22 VAL A 10 -6.715 4.913 12.513 1.00 0.00 H new ATOM 0 HG23 VAL A 10 -5.822 6.329 11.909 1.00 0.00 H new ATOM 161 N LYS A 11 -7.166 2.312 9.748 1.00 0.00 N ATOM 162 CA LYS A 11 -7.213 0.903 10.124 1.00 0.00 C ATOM 163 C LYS A 11 -5.901 0.229 9.774 1.00 0.00 C ATOM 164 O LYS A 11 -5.440 -0.634 10.497 1.00 0.00 O ATOM 165 CB LYS A 11 -8.344 0.152 9.425 1.00 0.00 C ATOM 166 CG LYS A 11 -9.736 0.626 9.755 1.00 0.00 C ATOM 167 CD LYS A 11 -10.763 -0.232 9.040 1.00 0.00 C ATOM 168 CE LYS A 11 -12.175 0.233 9.317 1.00 0.00 C ATOM 169 NZ LYS A 11 -12.435 1.587 8.783 1.00 0.00 N ATOM 0 H LYS A 11 -7.820 2.575 9.011 1.00 0.00 H new ATOM 0 HA LYS A 11 -7.391 0.870 11.199 1.00 0.00 H new ATOM 0 HB2 LYS A 11 -8.198 0.230 8.348 1.00 0.00 H new ATOM 0 HB3 LYS A 11 -8.268 -0.905 9.681 1.00 0.00 H new ATOM 0 HG2 LYS A 11 -9.898 0.580 10.832 1.00 0.00 H new ATOM 0 HG3 LYS A 11 -9.853 1.669 9.460 1.00 0.00 H new ATOM 0 HD2 LYS A 11 -10.575 -0.205 7.967 1.00 0.00 H new ATOM 0 HD3 LYS A 11 -10.653 -1.269 9.356 1.00 0.00 H new ATOM 0 HE2 LYS A 11 -12.880 -0.471 8.875 1.00 0.00 H new ATOM 0 HE3 LYS A 11 -12.352 0.229 10.393 1.00 0.00 H new ATOM 0 HZ1 LYS A 11 -13.156 2.058 9.366 1.00 0.00 H new ATOM 0 HZ2 LYS A 11 -11.556 2.143 8.804 1.00 0.00 H new ATOM 0 HZ3 LYS A 11 -12.776 1.514 7.803 1.00 0.00 H new ATOM 183 N LEU A 12 -5.305 0.650 8.667 1.00 0.00 N ATOM 184 CA LEU A 12 -4.046 0.093 8.183 1.00 0.00 C ATOM 185 C LEU A 12 -2.908 0.295 9.162 1.00 0.00 C ATOM 186 O LEU A 12 -2.133 -0.624 9.389 1.00 0.00 O ATOM 187 CB LEU A 12 -3.658 0.672 6.833 1.00 0.00 C ATOM 188 CG LEU A 12 -4.548 0.334 5.654 1.00 0.00 C ATOM 189 CD1 LEU A 12 -4.043 1.046 4.427 1.00 0.00 C ATOM 190 CD2 LEU A 12 -4.561 -1.161 5.407 1.00 0.00 C ATOM 0 H LEU A 12 -5.682 1.391 8.076 1.00 0.00 H new ATOM 0 HA LEU A 12 -4.218 -0.978 8.076 1.00 0.00 H new ATOM 0 HB2 LEU A 12 -3.621 1.757 6.929 1.00 0.00 H new ATOM 0 HB3 LEU A 12 -2.647 0.338 6.600 1.00 0.00 H new ATOM 0 HG LEU A 12 -5.565 0.657 5.876 1.00 0.00 H new ATOM 0 HD11 LEU A 12 -4.682 0.804 3.577 1.00 0.00 H new ATOM 0 HD12 LEU A 12 -4.059 2.122 4.598 1.00 0.00 H new ATOM 0 HD13 LEU A 12 -3.022 0.727 4.216 1.00 0.00 H new ATOM 0 HD21 LEU A 12 -5.206 -1.384 4.557 1.00 0.00 H new ATOM 0 HD22 LEU A 12 -3.548 -1.503 5.194 1.00 0.00 H new ATOM 0 HD23 LEU A 12 -4.939 -1.673 6.292 1.00 0.00 H new ATOM 202 N ARG A 13 -2.812 1.486 9.762 1.00 0.00 N ATOM 203 CA ARG A 13 -1.718 1.756 10.715 1.00 0.00 C ATOM 204 C ARG A 13 -1.885 0.893 11.959 1.00 0.00 C ATOM 205 O ARG A 13 -0.912 0.493 12.608 1.00 0.00 O ATOM 206 CB ARG A 13 -1.626 3.243 11.111 1.00 0.00 C ATOM 207 CG ARG A 13 -1.521 4.209 9.934 1.00 0.00 C ATOM 208 CD ARG A 13 -0.998 5.574 10.349 1.00 0.00 C ATOM 209 NE ARG A 13 -1.705 6.157 11.494 1.00 0.00 N ATOM 210 CZ ARG A 13 -1.220 7.162 12.237 1.00 0.00 C ATOM 211 NH1 ARG A 13 -0.131 7.824 11.845 1.00 0.00 N ATOM 212 NH2 ARG A 13 -1.850 7.528 13.343 1.00 0.00 N ATOM 0 H ARG A 13 -3.457 2.263 9.614 1.00 0.00 H new ATOM 0 HA ARG A 13 -0.785 1.503 10.211 1.00 0.00 H new ATOM 0 HB2 ARG A 13 -2.505 3.503 11.700 1.00 0.00 H new ATOM 0 HB3 ARG A 13 -0.758 3.381 11.756 1.00 0.00 H new ATOM 0 HG2 ARG A 13 -0.861 3.785 9.177 1.00 0.00 H new ATOM 0 HG3 ARG A 13 -2.502 4.324 9.473 1.00 0.00 H new ATOM 0 HD2 ARG A 13 0.061 5.488 10.593 1.00 0.00 H new ATOM 0 HD3 ARG A 13 -1.075 6.255 9.501 1.00 0.00 H new ATOM 0 HE ARG A 13 -2.619 5.776 11.739 1.00 0.00 H new ATOM 0 HH11 ARG A 13 0.337 7.567 10.976 1.00 0.00 H new ATOM 0 HH12 ARG A 13 0.234 8.588 12.414 1.00 0.00 H new ATOM 0 HH21 ARG A 13 -2.702 7.045 13.628 1.00 0.00 H new ATOM 0 HH22 ARG A 13 -1.483 8.292 13.910 1.00 0.00 H new ATOM 226 N GLN A 14 -3.124 0.595 12.269 1.00 0.00 N ATOM 227 CA GLN A 14 -3.446 -0.257 13.393 1.00 0.00 C ATOM 228 C GLN A 14 -3.232 -1.737 13.030 1.00 0.00 C ATOM 229 O GLN A 14 -2.872 -2.552 13.882 1.00 0.00 O ATOM 230 CB GLN A 14 -4.895 -0.029 13.805 1.00 0.00 C ATOM 231 CG GLN A 14 -5.197 1.396 14.235 1.00 0.00 C ATOM 232 CD GLN A 14 -6.662 1.605 14.521 1.00 0.00 C ATOM 233 OE1 GLN A 14 -7.120 1.407 15.648 1.00 0.00 O ATOM 234 NE2 GLN A 14 -7.401 2.027 13.523 1.00 0.00 N ATOM 0 H GLN A 14 -3.936 0.934 11.753 1.00 0.00 H new ATOM 0 HA GLN A 14 -2.786 -0.007 14.224 1.00 0.00 H new ATOM 0 HB2 GLN A 14 -5.545 -0.291 12.970 1.00 0.00 H new ATOM 0 HB3 GLN A 14 -5.140 -0.705 14.624 1.00 0.00 H new ATOM 0 HG2 GLN A 14 -4.617 1.636 15.126 1.00 0.00 H new ATOM 0 HG3 GLN A 14 -4.879 2.085 13.453 1.00 0.00 H new ATOM 0 HE21 GLN A 14 -6.981 2.178 12.606 1.00 0.00 H new ATOM 0 HE22 GLN A 14 -8.396 2.204 13.664 1.00 0.00 H new ATOM 314 N VAL A 19 3.508 -8.675 6.213 1.00 0.00 N ATOM 315 CA VAL A 19 3.991 -8.897 4.880 1.00 0.00 C ATOM 316 C VAL A 19 5.438 -8.441 4.818 1.00 0.00 C ATOM 317 O VAL A 19 5.909 -7.738 5.736 1.00 0.00 O ATOM 318 CB VAL A 19 3.168 -8.050 3.863 1.00 0.00 C ATOM 319 CG1 VAL A 19 1.785 -8.619 3.673 1.00 0.00 C ATOM 320 CG2 VAL A 19 3.044 -6.617 4.357 1.00 0.00 C ATOM 0 HA VAL A 19 3.897 -9.954 4.631 1.00 0.00 H new ATOM 0 HB VAL A 19 3.695 -8.074 2.909 1.00 0.00 H new ATOM 0 HG11 VAL A 19 1.235 -8.007 2.958 1.00 0.00 H new ATOM 0 HG12 VAL A 19 1.860 -9.639 3.296 1.00 0.00 H new ATOM 0 HG13 VAL A 19 1.259 -8.623 4.628 1.00 0.00 H new ATOM 0 HG21 VAL A 19 2.467 -6.033 3.639 1.00 0.00 H new ATOM 0 HG22 VAL A 19 2.538 -6.607 5.322 1.00 0.00 H new ATOM 0 HG23 VAL A 19 4.038 -6.182 4.464 1.00 0.00 H new ATOM 330 N ASN A 20 6.133 -8.795 3.762 1.00 0.00 N ATOM 331 CA ASN A 20 7.517 -8.376 3.604 1.00 0.00 C ATOM 332 C ASN A 20 7.523 -6.921 3.197 1.00 0.00 C ATOM 333 O ASN A 20 6.893 -6.547 2.197 1.00 0.00 O ATOM 334 CB ASN A 20 8.238 -9.193 2.516 1.00 0.00 C ATOM 335 CG ASN A 20 9.756 -8.990 2.477 1.00 0.00 C ATOM 336 OD1 ASN A 20 10.282 -7.936 2.832 1.00 0.00 O ATOM 337 ND2 ASN A 20 10.457 -9.977 2.003 1.00 0.00 N ATOM 0 H ASN A 20 5.771 -9.369 3.000 1.00 0.00 H new ATOM 0 HA ASN A 20 8.039 -8.533 4.548 1.00 0.00 H new ATOM 0 HB2 ASN A 20 8.029 -10.251 2.674 1.00 0.00 H new ATOM 0 HB3 ASN A 20 7.823 -8.928 1.544 1.00 0.00 H new ATOM 0 HD21 ASN A 20 11.470 -9.889 1.918 1.00 0.00 H new ATOM 0 HD22 ASN A 20 9.994 -10.840 1.716 1.00 0.00 H new ATOM 344 N PHE A 21 8.236 -6.113 3.950 1.00 0.00 N ATOM 345 CA PHE A 21 8.368 -4.689 3.680 1.00 0.00 C ATOM 346 C PHE A 21 8.902 -4.448 2.265 1.00 0.00 C ATOM 347 O PHE A 21 8.463 -3.526 1.564 1.00 0.00 O ATOM 348 CB PHE A 21 9.302 -4.046 4.720 1.00 0.00 C ATOM 349 CG PHE A 21 9.592 -2.593 4.465 1.00 0.00 C ATOM 350 CD1 PHE A 21 8.669 -1.622 4.801 1.00 0.00 C ATOM 351 CD2 PHE A 21 10.788 -2.206 3.879 1.00 0.00 C ATOM 352 CE1 PHE A 21 8.929 -0.291 4.555 1.00 0.00 C ATOM 353 CE2 PHE A 21 11.055 -0.881 3.633 1.00 0.00 C ATOM 354 CZ PHE A 21 10.125 0.077 3.968 1.00 0.00 C ATOM 0 H PHE A 21 8.747 -6.424 4.776 1.00 0.00 H new ATOM 0 HA PHE A 21 7.382 -4.230 3.751 1.00 0.00 H new ATOM 0 HB2 PHE A 21 8.854 -4.149 5.708 1.00 0.00 H new ATOM 0 HB3 PHE A 21 10.243 -4.596 4.738 1.00 0.00 H new ATOM 0 HD1 PHE A 21 7.735 -1.908 5.261 1.00 0.00 H new ATOM 0 HD2 PHE A 21 11.519 -2.956 3.613 1.00 0.00 H new ATOM 0 HE1 PHE A 21 8.201 0.462 4.820 1.00 0.00 H new ATOM 0 HE2 PHE A 21 11.991 -0.592 3.178 1.00 0.00 H new ATOM 0 HZ PHE A 21 10.330 1.119 3.772 1.00 0.00 H new ATOM 364 N ASN A 22 9.793 -5.319 1.830 1.00 0.00 N ATOM 365 CA ASN A 22 10.430 -5.174 0.525 1.00 0.00 C ATOM 366 C ASN A 22 9.464 -5.515 -0.555 1.00 0.00 C ATOM 367 O ASN A 22 9.506 -4.948 -1.649 1.00 0.00 O ATOM 368 CB ASN A 22 11.645 -6.085 0.385 1.00 0.00 C ATOM 369 CG ASN A 22 12.765 -5.754 1.328 1.00 0.00 C ATOM 370 OD1 ASN A 22 12.965 -4.601 1.703 1.00 0.00 O ATOM 371 ND2 ASN A 22 13.495 -6.756 1.720 1.00 0.00 N ATOM 0 H ASN A 22 10.096 -6.137 2.359 1.00 0.00 H new ATOM 0 HA ASN A 22 10.754 -4.137 0.439 1.00 0.00 H new ATOM 0 HB2 ASN A 22 11.335 -7.116 0.553 1.00 0.00 H new ATOM 0 HB3 ASN A 22 12.015 -6.026 -0.638 1.00 0.00 H new ATOM 0 HD21 ASN A 22 14.270 -6.601 2.365 1.00 0.00 H new ATOM 0 HD22 ASN A 22 13.293 -7.697 1.383 1.00 0.00 H new ATOM 378 N LEU A 23 8.575 -6.426 -0.245 1.00 0.00 N ATOM 379 CA LEU A 23 7.625 -6.881 -1.198 1.00 0.00 C ATOM 380 C LEU A 23 6.529 -5.856 -1.373 1.00 0.00 C ATOM 381 O LEU A 23 6.129 -5.606 -2.481 1.00 0.00 O ATOM 382 CB LEU A 23 7.089 -8.268 -0.843 1.00 0.00 C ATOM 383 CG LEU A 23 6.157 -8.927 -1.869 1.00 0.00 C ATOM 384 CD1 LEU A 23 6.798 -8.954 -3.245 1.00 0.00 C ATOM 385 CD2 LEU A 23 5.852 -10.341 -1.440 1.00 0.00 C ATOM 0 H LEU A 23 8.499 -6.864 0.673 1.00 0.00 H new ATOM 0 HA LEU A 23 8.123 -6.993 -2.161 1.00 0.00 H new ATOM 0 HB2 LEU A 23 7.939 -8.930 -0.680 1.00 0.00 H new ATOM 0 HB3 LEU A 23 6.555 -8.195 0.105 1.00 0.00 H new ATOM 0 HG LEU A 23 5.238 -8.343 -1.921 1.00 0.00 H new ATOM 0 HD11 LEU A 23 6.118 -9.426 -3.954 1.00 0.00 H new ATOM 0 HD12 LEU A 23 7.009 -7.935 -3.568 1.00 0.00 H new ATOM 0 HD13 LEU A 23 7.728 -9.521 -3.202 1.00 0.00 H new ATOM 0 HD21 LEU A 23 5.190 -10.808 -2.169 1.00 0.00 H new ATOM 0 HD22 LEU A 23 6.780 -10.910 -1.376 1.00 0.00 H new ATOM 0 HD23 LEU A 23 5.366 -10.328 -0.465 1.00 0.00 H new ATOM 397 N VAL A 24 6.085 -5.224 -0.284 1.00 0.00 N ATOM 398 CA VAL A 24 5.083 -4.155 -0.399 1.00 0.00 C ATOM 399 C VAL A 24 5.671 -2.996 -1.174 1.00 0.00 C ATOM 400 O VAL A 24 5.041 -2.470 -2.090 1.00 0.00 O ATOM 401 CB VAL A 24 4.582 -3.654 0.970 1.00 0.00 C ATOM 402 CG1 VAL A 24 3.522 -2.563 0.809 1.00 0.00 C ATOM 403 CG2 VAL A 24 4.025 -4.799 1.754 1.00 0.00 C ATOM 0 H VAL A 24 6.393 -5.425 0.667 1.00 0.00 H new ATOM 0 HA VAL A 24 4.224 -4.574 -0.923 1.00 0.00 H new ATOM 0 HB VAL A 24 5.428 -3.223 1.506 1.00 0.00 H new ATOM 0 HG11 VAL A 24 3.189 -2.231 1.792 1.00 0.00 H new ATOM 0 HG12 VAL A 24 3.948 -1.719 0.266 1.00 0.00 H new ATOM 0 HG13 VAL A 24 2.672 -2.960 0.254 1.00 0.00 H new ATOM 0 HG21 VAL A 24 3.672 -4.440 2.721 1.00 0.00 H new ATOM 0 HG22 VAL A 24 3.194 -5.245 1.207 1.00 0.00 H new ATOM 0 HG23 VAL A 24 4.802 -5.548 1.906 1.00 0.00 H new ATOM 413 N MET A 25 6.911 -2.641 -0.841 1.00 0.00 N ATOM 414 CA MET A 25 7.627 -1.592 -1.554 1.00 0.00 C ATOM 415 C MET A 25 7.752 -1.943 -3.037 1.00 0.00 C ATOM 416 O MET A 25 7.688 -1.063 -3.900 1.00 0.00 O ATOM 417 CB MET A 25 8.994 -1.274 -0.864 1.00 0.00 C ATOM 418 CG MET A 25 9.936 -0.331 -1.630 1.00 0.00 C ATOM 419 SD MET A 25 10.916 -1.150 -2.919 1.00 0.00 S ATOM 420 CE MET A 25 11.980 -2.196 -1.917 1.00 0.00 C ATOM 0 H MET A 25 7.439 -3.067 -0.080 1.00 0.00 H new ATOM 0 HA MET A 25 7.052 -0.667 -1.506 1.00 0.00 H new ATOM 0 HB2 MET A 25 8.791 -0.836 0.113 1.00 0.00 H new ATOM 0 HB3 MET A 25 9.517 -2.214 -0.690 1.00 0.00 H new ATOM 0 HG2 MET A 25 9.345 0.463 -2.087 1.00 0.00 H new ATOM 0 HG3 MET A 25 10.613 0.144 -0.920 1.00 0.00 H new ATOM 0 HE1 MET A 25 12.881 -2.443 -2.479 1.00 0.00 H new ATOM 0 HE2 MET A 25 12.255 -1.667 -1.004 1.00 0.00 H new ATOM 0 HE3 MET A 25 11.450 -3.113 -1.659 1.00 0.00 H new ATOM 430 N GLN A 26 7.855 -3.237 -3.320 1.00 0.00 N ATOM 431 CA GLN A 26 7.900 -3.721 -4.678 1.00 0.00 C ATOM 432 C GLN A 26 6.513 -3.649 -5.318 1.00 0.00 C ATOM 433 O GLN A 26 6.399 -3.229 -6.428 1.00 0.00 O ATOM 434 CB GLN A 26 8.441 -5.146 -4.753 1.00 0.00 C ATOM 435 CG GLN A 26 8.618 -5.662 -6.172 1.00 0.00 C ATOM 436 CD GLN A 26 9.213 -7.052 -6.235 1.00 0.00 C ATOM 437 OE1 GLN A 26 9.019 -7.878 -5.341 1.00 0.00 O ATOM 438 NE2 GLN A 26 9.942 -7.320 -7.274 1.00 0.00 N ATOM 0 H GLN A 26 7.909 -3.970 -2.612 1.00 0.00 H new ATOM 0 HA GLN A 26 8.583 -3.077 -5.232 1.00 0.00 H new ATOM 0 HB2 GLN A 26 9.401 -5.187 -4.239 1.00 0.00 H new ATOM 0 HB3 GLN A 26 7.763 -5.810 -4.217 1.00 0.00 H new ATOM 0 HG2 GLN A 26 7.650 -5.666 -6.673 1.00 0.00 H new ATOM 0 HG3 GLN A 26 9.259 -4.975 -6.724 1.00 0.00 H new ATOM 0 HE21 GLN A 26 10.082 -6.612 -7.995 1.00 0.00 H new ATOM 0 HE22 GLN A 26 10.376 -8.238 -7.370 1.00 0.00 H new ATOM 447 N ILE A 27 5.465 -4.025 -4.576 1.00 0.00 N ATOM 448 CA ILE A 27 4.066 -3.984 -5.075 1.00 0.00 C ATOM 449 C ILE A 27 3.738 -2.566 -5.539 1.00 0.00 C ATOM 450 O ILE A 27 3.196 -2.348 -6.632 1.00 0.00 O ATOM 451 CB ILE A 27 3.039 -4.393 -3.947 1.00 0.00 C ATOM 452 CG1 ILE A 27 3.273 -5.835 -3.442 1.00 0.00 C ATOM 453 CG2 ILE A 27 1.588 -4.206 -4.393 1.00 0.00 C ATOM 454 CD1 ILE A 27 3.141 -6.916 -4.492 1.00 0.00 C ATOM 0 H ILE A 27 5.551 -4.365 -3.618 1.00 0.00 H new ATOM 0 HA ILE A 27 3.981 -4.693 -5.899 1.00 0.00 H new ATOM 0 HB ILE A 27 3.220 -3.715 -3.113 1.00 0.00 H new ATOM 0 HG12 ILE A 27 4.271 -5.893 -3.008 1.00 0.00 H new ATOM 0 HG13 ILE A 27 2.564 -6.041 -2.640 1.00 0.00 H new ATOM 0 HG21 ILE A 27 0.918 -4.500 -3.585 1.00 0.00 H new ATOM 0 HG22 ILE A 27 1.416 -3.159 -4.644 1.00 0.00 H new ATOM 0 HG23 ILE A 27 1.394 -4.825 -5.269 1.00 0.00 H new ATOM 0 HD11 ILE A 27 3.324 -7.889 -4.037 1.00 0.00 H new ATOM 0 HD12 ILE A 27 2.135 -6.895 -4.912 1.00 0.00 H new ATOM 0 HD13 ILE A 27 3.869 -6.744 -5.285 1.00 0.00 H new ATOM 466 N LEU A 28 4.137 -1.620 -4.723 1.00 0.00 N ATOM 467 CA LEU A 28 3.936 -0.210 -4.974 1.00 0.00 C ATOM 468 C LEU A 28 4.772 0.251 -6.177 1.00 0.00 C ATOM 469 O LEU A 28 4.388 1.143 -6.903 1.00 0.00 O ATOM 470 CB LEU A 28 4.337 0.562 -3.729 1.00 0.00 C ATOM 471 CG LEU A 28 3.607 0.175 -2.437 1.00 0.00 C ATOM 472 CD1 LEU A 28 4.208 0.893 -1.263 1.00 0.00 C ATOM 473 CD2 LEU A 28 2.115 0.467 -2.528 1.00 0.00 C ATOM 0 H LEU A 28 4.621 -1.812 -3.846 1.00 0.00 H new ATOM 0 HA LEU A 28 2.887 -0.026 -5.206 1.00 0.00 H new ATOM 0 HB2 LEU A 28 5.408 0.430 -3.572 1.00 0.00 H new ATOM 0 HB3 LEU A 28 4.170 1.623 -3.914 1.00 0.00 H new ATOM 0 HG LEU A 28 3.727 -0.899 -2.297 1.00 0.00 H new ATOM 0 HD11 LEU A 28 3.680 0.608 -0.353 1.00 0.00 H new ATOM 0 HD12 LEU A 28 5.260 0.623 -1.171 1.00 0.00 H new ATOM 0 HD13 LEU A 28 4.121 1.969 -1.411 1.00 0.00 H new ATOM 0 HD21 LEU A 28 1.631 0.180 -1.595 1.00 0.00 H new ATOM 0 HD22 LEU A 28 1.963 1.532 -2.703 1.00 0.00 H new ATOM 0 HD23 LEU A 28 1.682 -0.102 -3.351 1.00 0.00 H new ATOM 485 N ASP A 29 5.905 -0.379 -6.360 1.00 0.00 N ATOM 486 CA ASP A 29 6.840 -0.092 -7.465 1.00 0.00 C ATOM 487 C ASP A 29 6.272 -0.599 -8.772 1.00 0.00 C ATOM 488 O ASP A 29 6.212 0.136 -9.767 1.00 0.00 O ATOM 489 CB ASP A 29 8.151 -0.802 -7.171 1.00 0.00 C ATOM 490 CG ASP A 29 9.244 -0.558 -8.188 1.00 0.00 C ATOM 491 OD1 ASP A 29 9.661 0.603 -8.358 1.00 0.00 O ATOM 492 OD2 ASP A 29 9.759 -1.532 -8.766 1.00 0.00 O ATOM 0 H ASP A 29 6.227 -1.124 -5.743 1.00 0.00 H new ATOM 0 HA ASP A 29 6.998 0.983 -7.549 1.00 0.00 H new ATOM 0 HB2 ASP A 29 8.508 -0.485 -6.191 1.00 0.00 H new ATOM 0 HB3 ASP A 29 7.962 -1.874 -7.111 1.00 0.00 H new ATOM 497 N GLU A 30 5.820 -1.846 -8.733 1.00 0.00 N ATOM 498 CA GLU A 30 5.231 -2.538 -9.870 1.00 0.00 C ATOM 499 C GLU A 30 4.090 -1.696 -10.442 1.00 0.00 C ATOM 500 O GLU A 30 4.074 -1.357 -11.626 1.00 0.00 O ATOM 501 CB GLU A 30 4.600 -3.854 -9.414 1.00 0.00 C ATOM 502 CG GLU A 30 5.466 -4.862 -8.685 1.00 0.00 C ATOM 503 CD GLU A 30 6.448 -5.590 -9.541 1.00 0.00 C ATOM 504 OE1 GLU A 30 7.463 -5.021 -9.936 1.00 0.00 O ATOM 505 OE2 GLU A 30 6.220 -6.797 -9.808 1.00 0.00 O ATOM 0 H GLU A 30 5.854 -2.417 -7.889 1.00 0.00 H new ATOM 0 HA GLU A 30 6.017 -2.710 -10.605 1.00 0.00 H new ATOM 0 HB2 GLU A 30 3.759 -3.610 -8.765 1.00 0.00 H new ATOM 0 HB3 GLU A 30 4.190 -4.347 -10.295 1.00 0.00 H new ATOM 0 HG2 GLU A 30 6.010 -4.346 -7.894 1.00 0.00 H new ATOM 0 HG3 GLU A 30 4.817 -5.592 -8.201 1.00 0.00 H new ATOM 512 N ILE A 31 3.153 -1.329 -9.566 1.00 0.00 N ATOM 513 CA ILE A 31 1.980 -0.572 -9.990 1.00 0.00 C ATOM 514 C ILE A 31 2.364 0.820 -10.458 1.00 0.00 C ATOM 515 O ILE A 31 1.842 1.291 -11.430 1.00 0.00 O ATOM 516 CB ILE A 31 0.869 -0.461 -8.893 1.00 0.00 C ATOM 517 CG1 ILE A 31 1.377 0.277 -7.645 1.00 0.00 C ATOM 518 CG2 ILE A 31 0.340 -1.834 -8.523 1.00 0.00 C ATOM 519 CD1 ILE A 31 0.331 0.500 -6.583 1.00 0.00 C ATOM 0 H ILE A 31 3.185 -1.542 -8.569 1.00 0.00 H new ATOM 0 HA ILE A 31 1.559 -1.141 -10.819 1.00 0.00 H new ATOM 0 HB ILE A 31 0.051 0.125 -9.313 1.00 0.00 H new ATOM 0 HG12 ILE A 31 2.201 -0.291 -7.212 1.00 0.00 H new ATOM 0 HG13 ILE A 31 1.781 1.243 -7.948 1.00 0.00 H new ATOM 0 HG21 ILE A 31 -0.431 -1.733 -7.759 1.00 0.00 H new ATOM 0 HG22 ILE A 31 -0.085 -2.311 -9.407 1.00 0.00 H new ATOM 0 HG23 ILE A 31 1.155 -2.446 -8.137 1.00 0.00 H new ATOM 0 HD11 ILE A 31 0.776 1.027 -5.739 1.00 0.00 H new ATOM 0 HD12 ILE A 31 -0.484 1.096 -6.994 1.00 0.00 H new ATOM 0 HD13 ILE A 31 -0.057 -0.462 -6.247 1.00 0.00 H new ATOM 531 N GLU A 32 3.320 1.435 -9.777 1.00 0.00 N ATOM 532 CA GLU A 32 3.765 2.790 -10.071 1.00 0.00 C ATOM 533 C GLU A 32 4.278 2.912 -11.505 1.00 0.00 C ATOM 534 O GLU A 32 3.858 3.800 -12.258 1.00 0.00 O ATOM 535 CB GLU A 32 4.848 3.188 -9.070 1.00 0.00 C ATOM 536 CG GLU A 32 5.407 4.569 -9.251 1.00 0.00 C ATOM 537 CD GLU A 32 6.411 4.921 -8.194 1.00 0.00 C ATOM 538 OE1 GLU A 32 6.028 5.130 -7.025 1.00 0.00 O ATOM 539 OE2 GLU A 32 7.604 4.970 -8.502 1.00 0.00 O ATOM 0 H GLU A 32 3.814 1.003 -8.996 1.00 0.00 H new ATOM 0 HA GLU A 32 2.916 3.468 -9.978 1.00 0.00 H new ATOM 0 HB2 GLU A 32 4.437 3.108 -8.063 1.00 0.00 H new ATOM 0 HB3 GLU A 32 5.665 2.470 -9.138 1.00 0.00 H new ATOM 0 HG2 GLU A 32 5.875 4.643 -10.232 1.00 0.00 H new ATOM 0 HG3 GLU A 32 4.593 5.293 -9.231 1.00 0.00 H new ATOM 546 N LEU A 33 5.144 2.003 -11.892 1.00 0.00 N ATOM 547 CA LEU A 33 5.724 2.034 -13.218 1.00 0.00 C ATOM 548 C LEU A 33 4.715 1.656 -14.306 1.00 0.00 C ATOM 549 O LEU A 33 4.766 2.195 -15.420 1.00 0.00 O ATOM 550 CB LEU A 33 7.047 1.224 -13.285 1.00 0.00 C ATOM 551 CG LEU A 33 7.018 -0.269 -12.892 1.00 0.00 C ATOM 552 CD1 LEU A 33 6.452 -1.155 -13.997 1.00 0.00 C ATOM 553 CD2 LEU A 33 8.397 -0.734 -12.480 1.00 0.00 C ATOM 0 H LEU A 33 5.464 1.231 -11.307 1.00 0.00 H new ATOM 0 HA LEU A 33 5.996 3.068 -13.430 1.00 0.00 H new ATOM 0 HB2 LEU A 33 7.425 1.291 -14.305 1.00 0.00 H new ATOM 0 HB3 LEU A 33 7.773 1.722 -12.642 1.00 0.00 H new ATOM 0 HG LEU A 33 6.344 -0.364 -12.041 1.00 0.00 H new ATOM 0 HD11 LEU A 33 6.455 -2.194 -13.668 1.00 0.00 H new ATOM 0 HD12 LEU A 33 5.430 -0.848 -14.222 1.00 0.00 H new ATOM 0 HD13 LEU A 33 7.066 -1.057 -14.892 1.00 0.00 H new ATOM 0 HD21 LEU A 33 8.359 -1.788 -12.206 1.00 0.00 H new ATOM 0 HD22 LEU A 33 9.090 -0.600 -13.311 1.00 0.00 H new ATOM 0 HD23 LEU A 33 8.738 -0.149 -11.626 1.00 0.00 H new ATOM 565 N ASP A 34 3.784 0.770 -13.979 1.00 0.00 N ATOM 566 CA ASP A 34 2.749 0.353 -14.940 1.00 0.00 C ATOM 567 C ASP A 34 1.708 1.453 -15.080 1.00 0.00 C ATOM 568 O ASP A 34 1.210 1.741 -16.170 1.00 0.00 O ATOM 569 CB ASP A 34 2.076 -0.952 -14.504 1.00 0.00 C ATOM 570 CG ASP A 34 1.082 -1.459 -15.532 1.00 0.00 C ATOM 571 OD1 ASP A 34 1.497 -2.211 -16.463 1.00 0.00 O ATOM 572 OD2 ASP A 34 -0.120 -1.139 -15.433 1.00 0.00 O ATOM 0 H ASP A 34 3.716 0.324 -13.064 1.00 0.00 H new ATOM 0 HA ASP A 34 3.229 0.177 -15.903 1.00 0.00 H new ATOM 0 HB2 ASP A 34 2.838 -1.712 -14.334 1.00 0.00 H new ATOM 0 HB3 ASP A 34 1.565 -0.795 -13.554 1.00 0.00 H new ATOM 577 N LEU A 35 1.423 2.099 -13.970 1.00 0.00 N ATOM 578 CA LEU A 35 0.500 3.213 -13.914 1.00 0.00 C ATOM 579 C LEU A 35 1.051 4.392 -14.695 1.00 0.00 C ATOM 580 O LEU A 35 0.305 5.096 -15.379 1.00 0.00 O ATOM 581 CB LEU A 35 0.227 3.591 -12.462 1.00 0.00 C ATOM 582 CG LEU A 35 -0.683 4.776 -12.205 1.00 0.00 C ATOM 583 CD1 LEU A 35 -2.028 4.590 -12.891 1.00 0.00 C ATOM 584 CD2 LEU A 35 -0.864 4.944 -10.715 1.00 0.00 C ATOM 0 H LEU A 35 1.832 1.861 -13.066 1.00 0.00 H new ATOM 0 HA LEU A 35 -0.444 2.920 -14.372 1.00 0.00 H new ATOM 0 HB2 LEU A 35 -0.204 2.722 -11.964 1.00 0.00 H new ATOM 0 HB3 LEU A 35 1.184 3.792 -11.981 1.00 0.00 H new ATOM 0 HG LEU A 35 -0.226 5.674 -12.620 1.00 0.00 H new ATOM 0 HD11 LEU A 35 -2.661 5.454 -12.690 1.00 0.00 H new ATOM 0 HD12 LEU A 35 -1.878 4.492 -13.966 1.00 0.00 H new ATOM 0 HD13 LEU A 35 -2.510 3.690 -12.509 1.00 0.00 H new ATOM 0 HD21 LEU A 35 -1.518 5.795 -10.521 1.00 0.00 H new ATOM 0 HD22 LEU A 35 -1.311 4.041 -10.299 1.00 0.00 H new ATOM 0 HD23 LEU A 35 0.105 5.118 -10.248 1.00 0.00 H new ATOM 664 N ILE A 41 -4.853 2.529 -12.796 1.00 0.00 N ATOM 665 CA ILE A 41 -4.175 1.962 -11.637 1.00 0.00 C ATOM 666 C ILE A 41 -4.845 0.661 -11.199 1.00 0.00 C ATOM 667 O ILE A 41 -4.176 -0.266 -10.754 1.00 0.00 O ATOM 668 CB ILE A 41 -4.055 2.970 -10.448 1.00 0.00 C ATOM 669 CG1 ILE A 41 -3.356 2.311 -9.238 1.00 0.00 C ATOM 670 CG2 ILE A 41 -5.413 3.552 -10.076 1.00 0.00 C ATOM 671 CD1 ILE A 41 -3.126 3.230 -8.064 1.00 0.00 C ATOM 0 HA ILE A 41 -3.155 1.737 -11.948 1.00 0.00 H new ATOM 0 HB ILE A 41 -3.431 3.804 -10.771 1.00 0.00 H new ATOM 0 HG12 ILE A 41 -3.956 1.464 -8.906 1.00 0.00 H new ATOM 0 HG13 ILE A 41 -2.395 1.913 -9.564 1.00 0.00 H new ATOM 0 HG21 ILE A 41 -5.295 4.249 -9.246 1.00 0.00 H new ATOM 0 HG22 ILE A 41 -5.831 4.077 -10.935 1.00 0.00 H new ATOM 0 HG23 ILE A 41 -6.085 2.747 -9.781 1.00 0.00 H new ATOM 0 HD11 ILE A 41 -2.631 2.681 -7.263 1.00 0.00 H new ATOM 0 HD12 ILE A 41 -2.498 4.065 -8.373 1.00 0.00 H new ATOM 0 HD13 ILE A 41 -4.083 3.609 -7.706 1.00 0.00 H new ATOM 683 N LYS A 42 -6.161 0.579 -11.387 1.00 0.00 N ATOM 684 CA LYS A 42 -6.904 -0.631 -11.066 1.00 0.00 C ATOM 685 C LYS A 42 -6.406 -1.806 -11.922 1.00 0.00 C ATOM 686 O LYS A 42 -6.343 -2.936 -11.456 1.00 0.00 O ATOM 687 CB LYS A 42 -8.411 -0.418 -11.257 1.00 0.00 C ATOM 688 CG LYS A 42 -8.804 -0.088 -12.672 1.00 0.00 C ATOM 689 CD LYS A 42 -10.270 0.229 -12.802 1.00 0.00 C ATOM 690 CE LYS A 42 -10.613 0.508 -14.248 1.00 0.00 C ATOM 691 NZ LYS A 42 -10.519 -0.702 -15.093 1.00 0.00 N ATOM 0 H LYS A 42 -6.732 1.338 -11.760 1.00 0.00 H new ATOM 0 HA LYS A 42 -6.732 -0.870 -10.017 1.00 0.00 H new ATOM 0 HB2 LYS A 42 -8.938 -1.319 -10.944 1.00 0.00 H new ATOM 0 HB3 LYS A 42 -8.740 0.388 -10.601 1.00 0.00 H new ATOM 0 HG2 LYS A 42 -8.219 0.763 -13.019 1.00 0.00 H new ATOM 0 HG3 LYS A 42 -8.558 -0.929 -13.320 1.00 0.00 H new ATOM 0 HD2 LYS A 42 -10.865 -0.606 -12.433 1.00 0.00 H new ATOM 0 HD3 LYS A 42 -10.519 1.094 -12.187 1.00 0.00 H new ATOM 0 HE2 LYS A 42 -11.624 0.912 -14.307 1.00 0.00 H new ATOM 0 HE3 LYS A 42 -9.941 1.273 -14.637 1.00 0.00 H new ATOM 0 HZ1 LYS A 42 -10.998 -0.530 -16.000 1.00 0.00 H new ATOM 0 HZ2 LYS A 42 -9.519 -0.927 -15.267 1.00 0.00 H new ATOM 0 HZ3 LYS A 42 -10.974 -1.501 -14.607 1.00 0.00 H new ATOM 705 N THR A 43 -6.000 -1.505 -13.153 1.00 0.00 N ATOM 706 CA THR A 43 -5.497 -2.502 -14.064 1.00 0.00 C ATOM 707 C THR A 43 -4.108 -2.944 -13.595 1.00 0.00 C ATOM 708 O THR A 43 -3.786 -4.152 -13.581 1.00 0.00 O ATOM 709 CB THR A 43 -5.374 -1.920 -15.486 1.00 0.00 C ATOM 710 OG1 THR A 43 -6.564 -1.195 -15.818 1.00 0.00 O ATOM 711 CG2 THR A 43 -5.171 -3.029 -16.509 1.00 0.00 C ATOM 0 H THR A 43 -6.015 -0.560 -13.537 1.00 0.00 H new ATOM 0 HA THR A 43 -6.187 -3.346 -14.081 1.00 0.00 H new ATOM 0 HB THR A 43 -4.511 -1.254 -15.507 1.00 0.00 H new ATOM 0 HG1 THR A 43 -6.481 -0.826 -16.722 1.00 0.00 H new ATOM 0 HG21 THR A 43 -5.087 -2.594 -17.505 1.00 0.00 H new ATOM 0 HG22 THR A 43 -4.259 -3.578 -16.274 1.00 0.00 H new ATOM 0 HG23 THR A 43 -6.022 -3.710 -16.481 1.00 0.00 H new ATOM 719 N SER A 44 -3.302 -1.953 -13.199 1.00 0.00 N ATOM 720 CA SER A 44 -1.968 -2.173 -12.695 1.00 0.00 C ATOM 721 C SER A 44 -2.013 -3.085 -11.465 1.00 0.00 C ATOM 722 O SER A 44 -1.207 -4.016 -11.337 1.00 0.00 O ATOM 723 CB SER A 44 -1.333 -0.829 -12.356 1.00 0.00 C ATOM 724 OG SER A 44 -1.425 0.051 -13.468 1.00 0.00 O ATOM 0 H SER A 44 -3.573 -0.970 -13.225 1.00 0.00 H new ATOM 0 HA SER A 44 -1.363 -2.667 -13.456 1.00 0.00 H new ATOM 0 HB2 SER A 44 -1.833 -0.390 -11.493 1.00 0.00 H new ATOM 0 HB3 SER A 44 -0.288 -0.971 -12.081 1.00 0.00 H new ATOM 0 HG SER A 44 -0.717 -0.161 -14.112 1.00 0.00 H new ATOM 730 N ILE A 45 -3.003 -2.831 -10.590 1.00 0.00 N ATOM 731 CA ILE A 45 -3.242 -3.636 -9.392 1.00 0.00 C ATOM 732 C ILE A 45 -3.353 -5.119 -9.759 1.00 0.00 C ATOM 733 O ILE A 45 -2.698 -5.964 -9.156 1.00 0.00 O ATOM 734 CB ILE A 45 -4.557 -3.183 -8.647 1.00 0.00 C ATOM 735 CG1 ILE A 45 -4.434 -1.754 -8.079 1.00 0.00 C ATOM 736 CG2 ILE A 45 -4.975 -4.159 -7.548 1.00 0.00 C ATOM 737 CD1 ILE A 45 -3.333 -1.569 -7.053 1.00 0.00 C ATOM 0 H ILE A 45 -3.659 -2.057 -10.700 1.00 0.00 H new ATOM 0 HA ILE A 45 -2.395 -3.487 -8.723 1.00 0.00 H new ATOM 0 HB ILE A 45 -5.343 -3.184 -9.403 1.00 0.00 H new ATOM 0 HG12 ILE A 45 -4.261 -1.064 -8.905 1.00 0.00 H new ATOM 0 HG13 ILE A 45 -5.385 -1.476 -7.625 1.00 0.00 H new ATOM 0 HG21 ILE A 45 -5.885 -3.799 -7.068 1.00 0.00 H new ATOM 0 HG22 ILE A 45 -5.159 -5.141 -7.984 1.00 0.00 H new ATOM 0 HG23 ILE A 45 -4.180 -4.234 -6.807 1.00 0.00 H new ATOM 0 HD11 ILE A 45 -3.324 -0.534 -6.712 1.00 0.00 H new ATOM 0 HD12 ILE A 45 -3.512 -2.229 -6.204 1.00 0.00 H new ATOM 0 HD13 ILE A 45 -2.371 -1.811 -7.504 1.00 0.00 H new ATOM 749 N ILE A 46 -4.132 -5.397 -10.796 1.00 0.00 N ATOM 750 CA ILE A 46 -4.410 -6.762 -11.238 1.00 0.00 C ATOM 751 C ILE A 46 -3.129 -7.551 -11.546 1.00 0.00 C ATOM 752 O ILE A 46 -2.948 -8.652 -11.018 1.00 0.00 O ATOM 753 CB ILE A 46 -5.337 -6.785 -12.480 1.00 0.00 C ATOM 754 CG1 ILE A 46 -6.639 -6.043 -12.183 1.00 0.00 C ATOM 755 CG2 ILE A 46 -5.636 -8.226 -12.901 1.00 0.00 C ATOM 756 CD1 ILE A 46 -7.577 -5.953 -13.364 1.00 0.00 C ATOM 0 H ILE A 46 -4.592 -4.681 -11.358 1.00 0.00 H new ATOM 0 HA ILE A 46 -4.918 -7.245 -10.404 1.00 0.00 H new ATOM 0 HB ILE A 46 -4.825 -6.283 -13.301 1.00 0.00 H new ATOM 0 HG12 ILE A 46 -7.152 -6.544 -11.362 1.00 0.00 H new ATOM 0 HG13 ILE A 46 -6.402 -5.035 -11.843 1.00 0.00 H new ATOM 0 HG21 ILE A 46 -6.288 -8.222 -13.774 1.00 0.00 H new ATOM 0 HG22 ILE A 46 -4.704 -8.734 -13.147 1.00 0.00 H new ATOM 0 HG23 ILE A 46 -6.130 -8.749 -12.082 1.00 0.00 H new ATOM 0 HD11 ILE A 46 -8.478 -5.412 -13.073 1.00 0.00 H new ATOM 0 HD12 ILE A 46 -7.085 -5.425 -14.180 1.00 0.00 H new ATOM 0 HD13 ILE A 46 -7.846 -6.957 -13.692 1.00 0.00 H new ATOM 768 N TYR A 47 -2.227 -6.971 -12.360 1.00 0.00 N ATOM 769 CA TYR A 47 -0.999 -7.685 -12.775 1.00 0.00 C ATOM 770 C TYR A 47 -0.201 -8.086 -11.557 1.00 0.00 C ATOM 771 O TYR A 47 0.138 -9.254 -11.356 1.00 0.00 O ATOM 772 CB TYR A 47 -0.068 -6.812 -13.622 1.00 0.00 C ATOM 773 CG TYR A 47 -0.675 -6.123 -14.801 1.00 0.00 C ATOM 774 CD1 TYR A 47 -1.103 -6.820 -15.916 1.00 0.00 C ATOM 775 CD2 TYR A 47 -0.776 -4.755 -14.808 1.00 0.00 C ATOM 776 CE1 TYR A 47 -1.617 -6.153 -17.007 1.00 0.00 C ATOM 777 CE2 TYR A 47 -1.293 -4.079 -15.880 1.00 0.00 C ATOM 778 CZ TYR A 47 -1.710 -4.776 -16.981 1.00 0.00 C ATOM 779 OH TYR A 47 -2.214 -4.098 -18.071 1.00 0.00 O ATOM 0 H TYR A 47 -2.319 -6.028 -12.739 1.00 0.00 H new ATOM 0 HA TYR A 47 -1.333 -8.544 -13.358 1.00 0.00 H new ATOM 0 HB2 TYR A 47 0.369 -6.053 -12.973 1.00 0.00 H new ATOM 0 HB3 TYR A 47 0.751 -7.436 -13.979 1.00 0.00 H new ATOM 0 HD1 TYR A 47 -1.034 -7.898 -15.932 1.00 0.00 H new ATOM 0 HD2 TYR A 47 -0.439 -4.198 -13.946 1.00 0.00 H new ATOM 0 HE1 TYR A 47 -1.945 -6.704 -17.876 1.00 0.00 H new ATOM 0 HE2 TYR A 47 -1.371 -3.002 -15.857 1.00 0.00 H new ATOM 0 HH TYR A 47 -2.211 -3.135 -17.887 1.00 0.00 H new ATOM 789 N VAL A 48 0.054 -7.100 -10.739 1.00 0.00 N ATOM 790 CA VAL A 48 0.858 -7.221 -9.569 1.00 0.00 C ATOM 791 C VAL A 48 0.260 -8.198 -8.576 1.00 0.00 C ATOM 792 O VAL A 48 0.952 -9.092 -8.087 1.00 0.00 O ATOM 793 CB VAL A 48 1.021 -5.844 -8.921 1.00 0.00 C ATOM 794 CG1 VAL A 48 1.960 -5.897 -7.738 1.00 0.00 C ATOM 795 CG2 VAL A 48 1.493 -4.846 -9.957 1.00 0.00 C ATOM 0 H VAL A 48 -0.310 -6.158 -10.882 1.00 0.00 H new ATOM 0 HA VAL A 48 1.833 -7.610 -9.863 1.00 0.00 H new ATOM 0 HB VAL A 48 0.052 -5.521 -8.540 1.00 0.00 H new ATOM 0 HG11 VAL A 48 2.053 -4.902 -7.302 1.00 0.00 H new ATOM 0 HG12 VAL A 48 1.565 -6.585 -6.991 1.00 0.00 H new ATOM 0 HG13 VAL A 48 2.940 -6.242 -8.067 1.00 0.00 H new ATOM 0 HG21 VAL A 48 1.608 -3.867 -9.493 1.00 0.00 H new ATOM 0 HG22 VAL A 48 2.451 -5.170 -10.364 1.00 0.00 H new ATOM 0 HG23 VAL A 48 0.760 -4.782 -10.761 1.00 0.00 H new ATOM 805 N TYR A 49 -1.013 -8.062 -8.315 1.00 0.00 N ATOM 806 CA TYR A 49 -1.671 -8.904 -7.344 1.00 0.00 C ATOM 807 C TYR A 49 -1.759 -10.342 -7.818 1.00 0.00 C ATOM 808 O TYR A 49 -1.582 -11.257 -7.034 1.00 0.00 O ATOM 809 CB TYR A 49 -3.042 -8.342 -6.928 1.00 0.00 C ATOM 810 CG TYR A 49 -2.975 -7.105 -6.020 1.00 0.00 C ATOM 811 CD1 TYR A 49 -1.953 -6.165 -6.137 1.00 0.00 C ATOM 812 CD2 TYR A 49 -3.932 -6.892 -5.042 1.00 0.00 C ATOM 813 CE1 TYR A 49 -1.890 -5.063 -5.320 1.00 0.00 C ATOM 814 CE2 TYR A 49 -3.877 -5.784 -4.215 1.00 0.00 C ATOM 815 CZ TYR A 49 -2.851 -4.873 -4.363 1.00 0.00 C ATOM 816 OH TYR A 49 -2.784 -3.770 -3.545 1.00 0.00 O ATOM 0 H TYR A 49 -1.619 -7.374 -8.762 1.00 0.00 H new ATOM 0 HA TYR A 49 -1.052 -8.904 -6.447 1.00 0.00 H new ATOM 0 HB2 TYR A 49 -3.604 -8.087 -7.827 1.00 0.00 H new ATOM 0 HB3 TYR A 49 -3.600 -9.124 -6.414 1.00 0.00 H new ATOM 0 HD1 TYR A 49 -1.191 -6.307 -6.889 1.00 0.00 H new ATOM 0 HD2 TYR A 49 -4.736 -7.603 -4.923 1.00 0.00 H new ATOM 0 HE1 TYR A 49 -1.087 -4.350 -5.432 1.00 0.00 H new ATOM 0 HE2 TYR A 49 -4.633 -5.633 -3.458 1.00 0.00 H new ATOM 0 HH TYR A 49 -3.512 -3.804 -2.889 1.00 0.00 H new ATOM 826 N SER A 50 -1.957 -10.539 -9.105 1.00 0.00 N ATOM 827 CA SER A 50 -2.039 -11.875 -9.642 1.00 0.00 C ATOM 828 C SER A 50 -0.642 -12.511 -9.777 1.00 0.00 C ATOM 829 O SER A 50 -0.509 -13.729 -9.758 1.00 0.00 O ATOM 830 CB SER A 50 -2.785 -11.883 -10.984 1.00 0.00 C ATOM 831 OG SER A 50 -2.986 -13.216 -11.458 1.00 0.00 O ATOM 0 H SER A 50 -2.063 -9.793 -9.793 1.00 0.00 H new ATOM 0 HA SER A 50 -2.609 -12.482 -8.939 1.00 0.00 H new ATOM 0 HB2 SER A 50 -3.748 -11.386 -10.870 1.00 0.00 H new ATOM 0 HB3 SER A 50 -2.218 -11.314 -11.721 1.00 0.00 H new ATOM 0 HG SER A 50 -3.464 -13.191 -12.313 1.00 0.00 H new ATOM 837 N SER A 51 0.385 -11.700 -9.899 1.00 0.00 N ATOM 838 CA SER A 51 1.736 -12.209 -10.034 1.00 0.00 C ATOM 839 C SER A 51 2.374 -12.455 -8.656 1.00 0.00 C ATOM 840 O SER A 51 3.337 -13.209 -8.526 1.00 0.00 O ATOM 841 CB SER A 51 2.586 -11.227 -10.867 1.00 0.00 C ATOM 842 OG SER A 51 3.914 -11.700 -11.065 1.00 0.00 O ATOM 0 H SER A 51 0.312 -10.683 -9.908 1.00 0.00 H new ATOM 0 HA SER A 51 1.697 -13.166 -10.553 1.00 0.00 H new ATOM 0 HB2 SER A 51 2.111 -11.068 -11.835 1.00 0.00 H new ATOM 0 HB3 SER A 51 2.618 -10.260 -10.365 1.00 0.00 H new ATOM 0 HG SER A 51 4.417 -11.049 -11.598 1.00 0.00 H new ATOM 848 N HIS A 52 1.826 -11.834 -7.639 1.00 0.00 N ATOM 849 CA HIS A 52 2.373 -11.937 -6.294 1.00 0.00 C ATOM 850 C HIS A 52 1.271 -12.435 -5.335 1.00 0.00 C ATOM 851 O HIS A 52 1.243 -12.056 -4.155 1.00 0.00 O ATOM 852 CB HIS A 52 2.908 -10.547 -5.824 1.00 0.00 C ATOM 853 CG HIS A 52 4.036 -9.925 -6.662 1.00 0.00 C ATOM 854 ND1 HIS A 52 5.372 -10.036 -6.338 1.00 0.00 N ATOM 855 CD2 HIS A 52 4.000 -9.120 -7.772 1.00 0.00 C ATOM 856 CE1 HIS A 52 6.100 -9.331 -7.196 1.00 0.00 C ATOM 857 NE2 HIS A 52 5.296 -8.769 -8.071 1.00 0.00 N ATOM 0 H HIS A 52 0.995 -11.246 -7.712 1.00 0.00 H new ATOM 0 HA HIS A 52 3.202 -12.645 -6.292 1.00 0.00 H new ATOM 0 HB2 HIS A 52 2.072 -9.848 -5.806 1.00 0.00 H new ATOM 0 HB3 HIS A 52 3.261 -10.647 -4.798 1.00 0.00 H new ATOM 0 HD2 HIS A 52 3.115 -8.817 -8.313 1.00 0.00 H new ATOM 0 HE1 HIS A 52 7.176 -9.235 -7.178 1.00 0.00 H new ATOM 0 HE2 HIS A 52 5.586 -8.171 -8.845 1.00 0.00 H new ATOM 866 N LEU A 53 0.421 -13.350 -5.847 1.00 0.00 N ATOM 867 CA LEU A 53 -0.783 -13.883 -5.135 1.00 0.00 C ATOM 868 C LEU A 53 -0.538 -14.310 -3.705 1.00 0.00 C ATOM 869 O LEU A 53 -1.355 -14.019 -2.838 1.00 0.00 O ATOM 870 CB LEU A 53 -1.416 -15.061 -5.892 1.00 0.00 C ATOM 871 CG LEU A 53 -2.145 -14.736 -7.189 1.00 0.00 C ATOM 872 CD1 LEU A 53 -2.542 -16.014 -7.914 1.00 0.00 C ATOM 873 CD2 LEU A 53 -3.382 -13.905 -6.908 1.00 0.00 C ATOM 0 H LEU A 53 0.544 -13.751 -6.777 1.00 0.00 H new ATOM 0 HA LEU A 53 -1.464 -13.032 -5.107 1.00 0.00 H new ATOM 0 HB2 LEU A 53 -0.630 -15.782 -6.117 1.00 0.00 H new ATOM 0 HB3 LEU A 53 -2.120 -15.555 -5.222 1.00 0.00 H new ATOM 0 HG LEU A 53 -1.468 -14.164 -7.824 1.00 0.00 H new ATOM 0 HD11 LEU A 53 -3.062 -15.762 -8.838 1.00 0.00 H new ATOM 0 HD12 LEU A 53 -1.648 -16.593 -8.147 1.00 0.00 H new ATOM 0 HD13 LEU A 53 -3.201 -16.604 -7.277 1.00 0.00 H new ATOM 0 HD21 LEU A 53 -3.891 -13.682 -7.846 1.00 0.00 H new ATOM 0 HD22 LEU A 53 -4.053 -14.462 -6.254 1.00 0.00 H new ATOM 0 HD23 LEU A 53 -3.092 -12.974 -6.422 1.00 0.00 H new ATOM 885 N ASP A 54 0.578 -14.973 -3.465 1.00 0.00 N ATOM 886 CA ASP A 54 0.902 -15.526 -2.130 1.00 0.00 C ATOM 887 C ASP A 54 0.832 -14.490 -1.020 1.00 0.00 C ATOM 888 O ASP A 54 0.159 -14.707 -0.003 1.00 0.00 O ATOM 889 CB ASP A 54 2.284 -16.192 -2.105 1.00 0.00 C ATOM 890 CG ASP A 54 2.642 -16.683 -0.709 1.00 0.00 C ATOM 891 OD1 ASP A 54 2.158 -17.756 -0.299 1.00 0.00 O ATOM 892 OD2 ASP A 54 3.403 -15.999 0.007 1.00 0.00 O ATOM 0 H ASP A 54 1.291 -15.151 -4.173 1.00 0.00 H new ATOM 0 HA ASP A 54 0.134 -16.276 -1.943 1.00 0.00 H new ATOM 0 HB2 ASP A 54 2.298 -17.031 -2.801 1.00 0.00 H new ATOM 0 HB3 ASP A 54 3.037 -15.482 -2.446 1.00 0.00 H new ATOM 897 N GLU A 55 1.479 -13.367 -1.223 1.00 0.00 N ATOM 898 CA GLU A 55 1.513 -12.323 -0.220 1.00 0.00 C ATOM 899 C GLU A 55 0.144 -11.638 -0.159 1.00 0.00 C ATOM 900 O GLU A 55 -0.351 -11.289 0.925 1.00 0.00 O ATOM 901 CB GLU A 55 2.590 -11.298 -0.569 1.00 0.00 C ATOM 902 CG GLU A 55 2.911 -10.306 0.548 1.00 0.00 C ATOM 903 CD GLU A 55 3.743 -10.905 1.677 1.00 0.00 C ATOM 904 OE1 GLU A 55 3.310 -11.877 2.313 1.00 0.00 O ATOM 905 OE2 GLU A 55 4.836 -10.386 1.963 1.00 0.00 O ATOM 0 H GLU A 55 1.992 -13.150 -2.077 1.00 0.00 H new ATOM 0 HA GLU A 55 1.746 -12.761 0.751 1.00 0.00 H new ATOM 0 HB2 GLU A 55 3.503 -11.828 -0.840 1.00 0.00 H new ATOM 0 HB3 GLU A 55 2.271 -10.742 -1.450 1.00 0.00 H new ATOM 0 HG2 GLU A 55 3.447 -9.456 0.125 1.00 0.00 H new ATOM 0 HG3 GLU A 55 1.978 -9.922 0.960 1.00 0.00 H new ATOM 912 N ILE A 56 -0.484 -11.509 -1.330 1.00 0.00 N ATOM 913 CA ILE A 56 -1.770 -10.840 -1.457 1.00 0.00 C ATOM 914 C ILE A 56 -2.844 -11.589 -0.672 1.00 0.00 C ATOM 915 O ILE A 56 -3.532 -11.005 0.130 1.00 0.00 O ATOM 916 CB ILE A 56 -2.235 -10.698 -2.945 1.00 0.00 C ATOM 917 CG1 ILE A 56 -1.165 -10.021 -3.825 1.00 0.00 C ATOM 918 CG2 ILE A 56 -3.551 -9.928 -3.034 1.00 0.00 C ATOM 919 CD1 ILE A 56 -0.690 -8.666 -3.344 1.00 0.00 C ATOM 0 H ILE A 56 -0.113 -11.866 -2.211 1.00 0.00 H new ATOM 0 HA ILE A 56 -1.634 -9.838 -1.050 1.00 0.00 H new ATOM 0 HB ILE A 56 -2.388 -11.708 -3.326 1.00 0.00 H new ATOM 0 HG12 ILE A 56 -0.304 -10.685 -3.895 1.00 0.00 H new ATOM 0 HG13 ILE A 56 -1.565 -9.910 -4.833 1.00 0.00 H new ATOM 0 HG21 ILE A 56 -3.853 -9.843 -4.078 1.00 0.00 H new ATOM 0 HG22 ILE A 56 -4.322 -10.459 -2.476 1.00 0.00 H new ATOM 0 HG23 ILE A 56 -3.419 -8.932 -2.612 1.00 0.00 H new ATOM 0 HD11 ILE A 56 0.060 -8.278 -4.033 1.00 0.00 H new ATOM 0 HD12 ILE A 56 -1.535 -7.978 -3.302 1.00 0.00 H new ATOM 0 HD13 ILE A 56 -0.253 -8.765 -2.350 1.00 0.00 H new ATOM 931 N ARG A 57 -2.945 -12.894 -0.888 1.00 0.00 N ATOM 932 CA ARG A 57 -3.966 -13.707 -0.209 1.00 0.00 C ATOM 933 C ARG A 57 -3.665 -13.866 1.281 1.00 0.00 C ATOM 934 O ARG A 57 -4.572 -14.074 2.093 1.00 0.00 O ATOM 935 CB ARG A 57 -4.121 -15.093 -0.857 1.00 0.00 C ATOM 936 CG ARG A 57 -2.843 -15.924 -0.895 1.00 0.00 C ATOM 937 CD ARG A 57 -3.122 -17.370 -1.261 1.00 0.00 C ATOM 938 NE ARG A 57 -3.960 -18.013 -0.242 1.00 0.00 N ATOM 939 CZ ARG A 57 -3.490 -18.678 0.832 1.00 0.00 C ATOM 940 NH1 ARG A 57 -2.192 -18.914 0.963 1.00 0.00 N ATOM 941 NH2 ARG A 57 -4.327 -19.124 1.753 1.00 0.00 N ATOM 0 H ARG A 57 -2.341 -13.417 -1.522 1.00 0.00 H new ATOM 0 HA ARG A 57 -4.907 -13.168 -0.319 1.00 0.00 H new ATOM 0 HB2 ARG A 57 -4.885 -15.650 -0.314 1.00 0.00 H new ATOM 0 HB3 ARG A 57 -4.485 -14.964 -1.876 1.00 0.00 H new ATOM 0 HG2 ARG A 57 -2.151 -15.493 -1.618 1.00 0.00 H new ATOM 0 HG3 ARG A 57 -2.354 -15.883 0.078 1.00 0.00 H new ATOM 0 HD2 ARG A 57 -3.620 -17.415 -2.229 1.00 0.00 H new ATOM 0 HD3 ARG A 57 -2.182 -17.913 -1.361 1.00 0.00 H new ATOM 0 HE ARG A 57 -4.972 -17.952 -0.355 1.00 0.00 H new ATOM 0 HH11 ARG A 57 -1.540 -18.592 0.248 1.00 0.00 H new ATOM 0 HH12 ARG A 57 -1.845 -19.418 1.779 1.00 0.00 H new ATOM 0 HH21 ARG A 57 -5.329 -18.965 1.651 1.00 0.00 H new ATOM 0 HH22 ARG A 57 -3.970 -19.627 2.565 1.00 0.00 H new ATOM 955 N LYS A 58 -2.398 -13.762 1.625 1.00 0.00 N ATOM 956 CA LYS A 58 -1.923 -13.889 2.992 1.00 0.00 C ATOM 957 C LYS A 58 -2.465 -12.745 3.840 1.00 0.00 C ATOM 958 O LYS A 58 -2.912 -12.946 4.962 1.00 0.00 O ATOM 959 CB LYS A 58 -0.405 -13.873 2.953 1.00 0.00 C ATOM 960 CG LYS A 58 0.332 -13.898 4.272 1.00 0.00 C ATOM 961 CD LYS A 58 1.801 -13.834 3.958 1.00 0.00 C ATOM 962 CE LYS A 58 2.682 -13.577 5.149 1.00 0.00 C ATOM 963 NZ LYS A 58 4.065 -13.306 4.702 1.00 0.00 N ATOM 0 H LYS A 58 -1.653 -13.583 0.951 1.00 0.00 H new ATOM 0 HA LYS A 58 -2.270 -14.819 3.441 1.00 0.00 H new ATOM 0 HB2 LYS A 58 -0.076 -14.732 2.368 1.00 0.00 H new ATOM 0 HB3 LYS A 58 -0.093 -12.980 2.411 1.00 0.00 H new ATOM 0 HG2 LYS A 58 0.034 -13.055 4.896 1.00 0.00 H new ATOM 0 HG3 LYS A 58 0.096 -14.805 4.828 1.00 0.00 H new ATOM 0 HD2 LYS A 58 2.102 -14.774 3.495 1.00 0.00 H new ATOM 0 HD3 LYS A 58 1.968 -13.048 3.222 1.00 0.00 H new ATOM 0 HE2 LYS A 58 2.301 -12.729 5.718 1.00 0.00 H new ATOM 0 HE3 LYS A 58 2.668 -14.439 5.815 1.00 0.00 H new ATOM 0 HZ1 LYS A 58 4.556 -12.735 5.419 1.00 0.00 H new ATOM 0 HZ2 LYS A 58 4.570 -14.206 4.570 1.00 0.00 H new ATOM 0 HZ3 LYS A 58 4.043 -12.786 3.802 1.00 0.00 H new ATOM 977 N ASN A 59 -2.436 -11.560 3.290 1.00 0.00 N ATOM 978 CA ASN A 59 -2.973 -10.391 3.961 1.00 0.00 C ATOM 979 C ASN A 59 -3.942 -9.711 3.037 1.00 0.00 C ATOM 980 O ASN A 59 -3.784 -8.537 2.677 1.00 0.00 O ATOM 981 CB ASN A 59 -1.871 -9.422 4.426 1.00 0.00 C ATOM 982 CG ASN A 59 -1.039 -9.962 5.576 1.00 0.00 C ATOM 983 OD1 ASN A 59 0.013 -10.673 5.263 1.00 0.00 O flip ATOM 984 ND2 ASN A 59 -1.343 -9.733 6.740 1.00 0.00 N flip ATOM 0 H ASN A 59 -2.043 -11.371 2.368 1.00 0.00 H new ATOM 0 HA ASN A 59 -3.487 -10.714 4.866 1.00 0.00 H new ATOM 0 HB2 ASN A 59 -1.214 -9.200 3.585 1.00 0.00 H new ATOM 0 HB3 ASN A 59 -2.329 -8.481 4.730 1.00 0.00 H new ATOM 0 HD21 ASN A 59 -2.170 -9.175 6.951 1.00 0.00 H new ATOM 0 HD22 ASN A 59 -0.769 -10.101 7.499 1.00 0.00 H new ATOM 991 N LYS A 60 -4.955 -10.467 2.647 1.00 0.00 N ATOM 992 CA LYS A 60 -5.942 -10.009 1.681 1.00 0.00 C ATOM 993 C LYS A 60 -6.689 -8.776 2.144 1.00 0.00 C ATOM 994 O LYS A 60 -7.054 -7.943 1.332 1.00 0.00 O ATOM 995 CB LYS A 60 -6.906 -11.133 1.253 1.00 0.00 C ATOM 996 CG LYS A 60 -7.623 -11.831 2.401 1.00 0.00 C ATOM 997 CD LYS A 60 -8.643 -12.864 1.911 1.00 0.00 C ATOM 998 CE LYS A 60 -9.803 -12.216 1.143 1.00 0.00 C ATOM 999 NZ LYS A 60 -10.626 -11.311 1.990 1.00 0.00 N ATOM 0 H LYS A 60 -5.117 -11.414 2.990 1.00 0.00 H new ATOM 0 HA LYS A 60 -5.378 -9.715 0.795 1.00 0.00 H new ATOM 0 HB2 LYS A 60 -7.652 -10.715 0.578 1.00 0.00 H new ATOM 0 HB3 LYS A 60 -6.346 -11.877 0.687 1.00 0.00 H new ATOM 0 HG2 LYS A 60 -6.889 -12.324 3.038 1.00 0.00 H new ATOM 0 HG3 LYS A 60 -8.130 -11.087 3.015 1.00 0.00 H new ATOM 0 HD2 LYS A 60 -8.143 -13.588 1.267 1.00 0.00 H new ATOM 0 HD3 LYS A 60 -9.038 -13.415 2.765 1.00 0.00 H new ATOM 0 HE2 LYS A 60 -9.404 -11.652 0.300 1.00 0.00 H new ATOM 0 HE3 LYS A 60 -10.440 -12.998 0.730 1.00 0.00 H new ATOM 0 HZ1 LYS A 60 -11.604 -11.663 2.025 1.00 0.00 H new ATOM 0 HZ2 LYS A 60 -10.233 -11.284 2.952 1.00 0.00 H new ATOM 0 HZ3 LYS A 60 -10.617 -10.353 1.585 1.00 0.00 H new ATOM 1013 N GLU A 61 -6.897 -8.646 3.438 1.00 0.00 N ATOM 1014 CA GLU A 61 -7.554 -7.478 3.981 1.00 0.00 C ATOM 1015 C GLU A 61 -6.695 -6.241 3.760 1.00 0.00 C ATOM 1016 O GLU A 61 -7.191 -5.194 3.355 1.00 0.00 O ATOM 1017 CB GLU A 61 -7.854 -7.661 5.466 1.00 0.00 C ATOM 1018 CG GLU A 61 -9.043 -8.571 5.793 1.00 0.00 C ATOM 1019 CD GLU A 61 -8.922 -9.965 5.234 1.00 0.00 C ATOM 1020 OE1 GLU A 61 -8.106 -10.757 5.750 1.00 0.00 O ATOM 1021 OE2 GLU A 61 -9.628 -10.297 4.269 1.00 0.00 O ATOM 0 H GLU A 61 -6.619 -9.338 4.134 1.00 0.00 H new ATOM 0 HA GLU A 61 -8.502 -7.345 3.459 1.00 0.00 H new ATOM 0 HB2 GLU A 61 -6.966 -8.065 5.951 1.00 0.00 H new ATOM 0 HB3 GLU A 61 -8.038 -6.680 5.905 1.00 0.00 H new ATOM 0 HG2 GLU A 61 -9.152 -8.633 6.876 1.00 0.00 H new ATOM 0 HG3 GLU A 61 -9.954 -8.114 5.407 1.00 0.00 H new ATOM 1028 N PHE A 62 -5.401 -6.396 3.973 1.00 0.00 N ATOM 1029 CA PHE A 62 -4.447 -5.316 3.806 1.00 0.00 C ATOM 1030 C PHE A 62 -4.395 -4.865 2.356 1.00 0.00 C ATOM 1031 O PHE A 62 -4.570 -3.681 2.061 1.00 0.00 O ATOM 1032 CB PHE A 62 -3.054 -5.763 4.289 1.00 0.00 C ATOM 1033 CG PHE A 62 -1.941 -4.809 3.958 1.00 0.00 C ATOM 1034 CD1 PHE A 62 -1.837 -3.597 4.603 1.00 0.00 C ATOM 1035 CD2 PHE A 62 -1.011 -5.129 2.981 1.00 0.00 C ATOM 1036 CE1 PHE A 62 -0.828 -2.719 4.285 1.00 0.00 C ATOM 1037 CE2 PHE A 62 0.000 -4.255 2.656 1.00 0.00 C ATOM 1038 CZ PHE A 62 0.092 -3.049 3.307 1.00 0.00 C ATOM 0 H PHE A 62 -4.981 -7.278 4.268 1.00 0.00 H new ATOM 0 HA PHE A 62 -4.770 -4.468 4.410 1.00 0.00 H new ATOM 0 HB2 PHE A 62 -3.086 -5.902 5.370 1.00 0.00 H new ATOM 0 HB3 PHE A 62 -2.826 -6.734 3.849 1.00 0.00 H new ATOM 0 HD1 PHE A 62 -2.555 -3.334 5.366 1.00 0.00 H new ATOM 0 HD2 PHE A 62 -1.081 -6.077 2.468 1.00 0.00 H new ATOM 0 HE1 PHE A 62 -0.754 -1.772 4.799 1.00 0.00 H new ATOM 0 HE2 PHE A 62 0.718 -4.516 1.893 1.00 0.00 H new ATOM 0 HZ PHE A 62 0.883 -2.358 3.055 1.00 0.00 H new ATOM 1048 N TYR A 63 -4.209 -5.814 1.460 1.00 0.00 N ATOM 1049 CA TYR A 63 -4.089 -5.505 0.050 1.00 0.00 C ATOM 1050 C TYR A 63 -5.369 -4.972 -0.551 1.00 0.00 C ATOM 1051 O TYR A 63 -5.336 -4.083 -1.397 1.00 0.00 O ATOM 1052 CB TYR A 63 -3.496 -6.666 -0.739 1.00 0.00 C ATOM 1053 CG TYR A 63 -2.027 -6.837 -0.447 1.00 0.00 C ATOM 1054 CD1 TYR A 63 -1.095 -5.987 -1.029 1.00 0.00 C ATOM 1055 CD2 TYR A 63 -1.570 -7.812 0.420 1.00 0.00 C ATOM 1056 CE1 TYR A 63 0.251 -6.105 -0.756 1.00 0.00 C ATOM 1057 CE2 TYR A 63 -0.224 -7.940 0.694 1.00 0.00 C ATOM 1058 CZ TYR A 63 0.681 -7.081 0.103 1.00 0.00 C ATOM 1059 OH TYR A 63 2.017 -7.192 0.382 1.00 0.00 O ATOM 0 H TYR A 63 -4.138 -6.806 1.684 1.00 0.00 H new ATOM 0 HA TYR A 63 -3.376 -4.684 -0.026 1.00 0.00 H new ATOM 0 HB2 TYR A 63 -4.027 -7.585 -0.491 1.00 0.00 H new ATOM 0 HB3 TYR A 63 -3.639 -6.493 -1.806 1.00 0.00 H new ATOM 0 HD1 TYR A 63 -1.432 -5.218 -1.709 1.00 0.00 H new ATOM 0 HD2 TYR A 63 -2.276 -8.482 0.889 1.00 0.00 H new ATOM 0 HE1 TYR A 63 0.961 -5.433 -1.216 1.00 0.00 H new ATOM 0 HE2 TYR A 63 0.121 -8.710 1.369 1.00 0.00 H new ATOM 0 HH TYR A 63 2.532 -6.680 -0.276 1.00 0.00 H new ATOM 1069 N ASP A 64 -6.490 -5.457 -0.071 1.00 0.00 N ATOM 1070 CA ASP A 64 -7.787 -4.982 -0.539 1.00 0.00 C ATOM 1071 C ASP A 64 -7.999 -3.531 -0.143 1.00 0.00 C ATOM 1072 O ASP A 64 -8.416 -2.699 -0.975 1.00 0.00 O ATOM 1073 CB ASP A 64 -8.904 -5.851 0.016 1.00 0.00 C ATOM 1074 CG ASP A 64 -10.281 -5.366 -0.345 1.00 0.00 C ATOM 1075 OD1 ASP A 64 -10.667 -5.464 -1.536 1.00 0.00 O ATOM 1076 OD2 ASP A 64 -11.016 -4.921 0.562 1.00 0.00 O ATOM 0 H ASP A 64 -6.538 -6.182 0.645 1.00 0.00 H new ATOM 0 HA ASP A 64 -7.804 -5.049 -1.627 1.00 0.00 H new ATOM 0 HB2 ASP A 64 -8.778 -6.869 -0.353 1.00 0.00 H new ATOM 0 HB3 ASP A 64 -8.816 -5.892 1.102 1.00 0.00 H new ATOM 1081 N MET A 65 -7.682 -3.218 1.109 1.00 0.00 N ATOM 1082 CA MET A 65 -7.802 -1.866 1.609 1.00 0.00 C ATOM 1083 C MET A 65 -6.823 -0.920 0.927 1.00 0.00 C ATOM 1084 O MET A 65 -7.216 0.164 0.503 1.00 0.00 O ATOM 1085 CB MET A 65 -7.686 -1.799 3.146 1.00 0.00 C ATOM 1086 CG MET A 65 -8.850 -2.470 3.866 1.00 0.00 C ATOM 1087 SD MET A 65 -8.805 -2.312 5.680 1.00 0.00 S ATOM 1088 CE MET A 65 -7.371 -3.297 6.098 1.00 0.00 C ATOM 0 H MET A 65 -7.339 -3.891 1.794 1.00 0.00 H new ATOM 0 HA MET A 65 -8.806 -1.527 1.355 1.00 0.00 H new ATOM 0 HB2 MET A 65 -6.754 -2.273 3.455 1.00 0.00 H new ATOM 0 HB3 MET A 65 -7.630 -0.755 3.454 1.00 0.00 H new ATOM 0 HG2 MET A 65 -9.783 -2.042 3.499 1.00 0.00 H new ATOM 0 HG3 MET A 65 -8.861 -3.528 3.606 1.00 0.00 H new ATOM 0 HE1 MET A 65 -7.013 -3.016 7.088 1.00 0.00 H new ATOM 0 HE2 MET A 65 -7.642 -4.353 6.096 1.00 0.00 H new ATOM 0 HE3 MET A 65 -6.584 -3.123 5.365 1.00 0.00 H new ATOM 1098 N ILE A 66 -5.560 -1.333 0.762 1.00 0.00 N ATOM 1099 CA ILE A 66 -4.604 -0.440 0.117 1.00 0.00 C ATOM 1100 C ILE A 66 -4.925 -0.212 -1.345 1.00 0.00 C ATOM 1101 O ILE A 66 -4.840 0.896 -1.790 1.00 0.00 O ATOM 1102 CB ILE A 66 -3.095 -0.790 0.279 1.00 0.00 C ATOM 1103 CG1 ILE A 66 -2.752 -2.148 -0.302 1.00 0.00 C ATOM 1104 CG2 ILE A 66 -2.680 -0.713 1.733 1.00 0.00 C ATOM 1105 CD1 ILE A 66 -1.265 -2.405 -0.399 1.00 0.00 C ATOM 0 H ILE A 66 -5.193 -2.239 1.053 1.00 0.00 H new ATOM 0 HA ILE A 66 -4.740 0.483 0.681 1.00 0.00 H new ATOM 0 HB ILE A 66 -2.534 -0.047 -0.288 1.00 0.00 H new ATOM 0 HG12 ILE A 66 -3.207 -2.923 0.314 1.00 0.00 H new ATOM 0 HG13 ILE A 66 -3.193 -2.231 -1.296 1.00 0.00 H new ATOM 0 HG21 ILE A 66 -1.622 -0.961 1.823 1.00 0.00 H new ATOM 0 HG22 ILE A 66 -2.849 0.297 2.107 1.00 0.00 H new ATOM 0 HG23 ILE A 66 -3.270 -1.419 2.318 1.00 0.00 H new ATOM 0 HD11 ILE A 66 -1.094 -3.394 -0.823 1.00 0.00 H new ATOM 0 HD12 ILE A 66 -0.807 -1.651 -1.039 1.00 0.00 H new ATOM 0 HD13 ILE A 66 -0.821 -2.355 0.595 1.00 0.00 H new ATOM 1117 N ALA A 67 -5.339 -1.255 -2.079 1.00 0.00 N ATOM 1118 CA ALA A 67 -5.687 -1.114 -3.509 1.00 0.00 C ATOM 1119 C ALA A 67 -6.776 -0.066 -3.702 1.00 0.00 C ATOM 1120 O ALA A 67 -6.772 0.693 -4.680 1.00 0.00 O ATOM 1121 CB ALA A 67 -6.131 -2.446 -4.093 1.00 0.00 C ATOM 0 H ALA A 67 -5.442 -2.202 -1.713 1.00 0.00 H new ATOM 0 HA ALA A 67 -4.793 -0.785 -4.038 1.00 0.00 H new ATOM 0 HB1 ALA A 67 -6.382 -2.316 -5.146 1.00 0.00 H new ATOM 0 HB2 ALA A 67 -5.323 -3.172 -3.999 1.00 0.00 H new ATOM 0 HB3 ALA A 67 -7.007 -2.806 -3.553 1.00 0.00 H new ATOM 1127 N GLU A 68 -7.672 -0.018 -2.745 1.00 0.00 N ATOM 1128 CA GLU A 68 -8.755 0.930 -2.716 1.00 0.00 C ATOM 1129 C GLU A 68 -8.178 2.351 -2.514 1.00 0.00 C ATOM 1130 O GLU A 68 -8.396 3.263 -3.333 1.00 0.00 O ATOM 1131 CB GLU A 68 -9.668 0.547 -1.547 1.00 0.00 C ATOM 1132 CG GLU A 68 -10.939 1.350 -1.415 1.00 0.00 C ATOM 1133 CD GLU A 68 -11.895 1.107 -2.547 1.00 0.00 C ATOM 1134 OE1 GLU A 68 -12.554 0.063 -2.557 1.00 0.00 O ATOM 1135 OE2 GLU A 68 -12.018 1.958 -3.440 1.00 0.00 O ATOM 0 H GLU A 68 -7.666 -0.653 -1.947 1.00 0.00 H new ATOM 0 HA GLU A 68 -9.320 0.919 -3.648 1.00 0.00 H new ATOM 0 HB2 GLU A 68 -9.934 -0.505 -1.648 1.00 0.00 H new ATOM 0 HB3 GLU A 68 -9.101 0.645 -0.621 1.00 0.00 H new ATOM 0 HG2 GLU A 68 -11.426 1.100 -0.473 1.00 0.00 H new ATOM 0 HG3 GLU A 68 -10.692 2.411 -1.374 1.00 0.00 H new ATOM 1142 N ILE A 69 -7.403 2.494 -1.453 1.00 0.00 N ATOM 1143 CA ILE A 69 -6.775 3.758 -1.057 1.00 0.00 C ATOM 1144 C ILE A 69 -5.783 4.274 -2.118 1.00 0.00 C ATOM 1145 O ILE A 69 -5.728 5.476 -2.384 1.00 0.00 O ATOM 1146 CB ILE A 69 -6.061 3.587 0.309 1.00 0.00 C ATOM 1147 CG1 ILE A 69 -7.092 3.204 1.371 1.00 0.00 C ATOM 1148 CG2 ILE A 69 -5.306 4.854 0.726 1.00 0.00 C ATOM 1149 CD1 ILE A 69 -6.485 2.843 2.690 1.00 0.00 C ATOM 0 H ILE A 69 -7.183 1.722 -0.824 1.00 0.00 H new ATOM 0 HA ILE A 69 -7.565 4.504 -0.966 1.00 0.00 H new ATOM 0 HB ILE A 69 -5.319 2.794 0.210 1.00 0.00 H new ATOM 0 HG12 ILE A 69 -7.782 4.036 1.513 1.00 0.00 H new ATOM 0 HG13 ILE A 69 -7.680 2.361 1.008 1.00 0.00 H new ATOM 0 HG21 ILE A 69 -4.821 4.689 1.688 1.00 0.00 H new ATOM 0 HG22 ILE A 69 -4.552 5.092 -0.024 1.00 0.00 H new ATOM 0 HG23 ILE A 69 -6.007 5.684 0.811 1.00 0.00 H new ATOM 0 HD11 ILE A 69 -7.275 2.582 3.395 1.00 0.00 H new ATOM 0 HD12 ILE A 69 -5.817 1.991 2.562 1.00 0.00 H new ATOM 0 HD13 ILE A 69 -5.920 3.692 3.075 1.00 0.00 H new ATOM 1161 N LEU A 70 -5.024 3.366 -2.717 1.00 0.00 N ATOM 1162 CA LEU A 70 -4.051 3.701 -3.756 1.00 0.00 C ATOM 1163 C LEU A 70 -4.697 4.474 -4.893 1.00 0.00 C ATOM 1164 O LEU A 70 -4.214 5.531 -5.269 1.00 0.00 O ATOM 1165 CB LEU A 70 -3.351 2.436 -4.293 1.00 0.00 C ATOM 1166 CG LEU A 70 -2.424 1.697 -3.311 1.00 0.00 C ATOM 1167 CD1 LEU A 70 -1.967 0.375 -3.892 1.00 0.00 C ATOM 1168 CD2 LEU A 70 -1.219 2.550 -2.958 1.00 0.00 C ATOM 0 H LEU A 70 -5.064 2.371 -2.497 1.00 0.00 H new ATOM 0 HA LEU A 70 -3.297 4.341 -3.299 1.00 0.00 H new ATOM 0 HB2 LEU A 70 -4.118 1.738 -4.630 1.00 0.00 H new ATOM 0 HB3 LEU A 70 -2.767 2.715 -5.170 1.00 0.00 H new ATOM 0 HG LEU A 70 -2.993 1.502 -2.402 1.00 0.00 H new ATOM 0 HD11 LEU A 70 -1.313 -0.129 -3.180 1.00 0.00 H new ATOM 0 HD12 LEU A 70 -2.835 -0.253 -4.095 1.00 0.00 H new ATOM 0 HD13 LEU A 70 -1.424 0.554 -4.820 1.00 0.00 H new ATOM 0 HD21 LEU A 70 -0.579 2.006 -2.263 1.00 0.00 H new ATOM 0 HD22 LEU A 70 -0.658 2.780 -3.864 1.00 0.00 H new ATOM 0 HD23 LEU A 70 -1.553 3.478 -2.493 1.00 0.00 H new ATOM 1180 N GLN A 71 -5.819 3.973 -5.400 1.00 0.00 N ATOM 1181 CA GLN A 71 -6.520 4.650 -6.505 1.00 0.00 C ATOM 1182 C GLN A 71 -7.038 6.002 -6.031 1.00 0.00 C ATOM 1183 O GLN A 71 -6.840 7.041 -6.682 1.00 0.00 O ATOM 1184 CB GLN A 71 -7.708 3.815 -6.979 1.00 0.00 C ATOM 1185 CG GLN A 71 -7.385 2.366 -7.253 1.00 0.00 C ATOM 1186 CD GLN A 71 -8.561 1.610 -7.820 1.00 0.00 C ATOM 1187 OE1 GLN A 71 -9.391 2.174 -8.550 1.00 0.00 O ATOM 1188 NE2 GLN A 71 -8.683 0.361 -7.453 1.00 0.00 N ATOM 0 H GLN A 71 -6.263 3.114 -5.075 1.00 0.00 H new ATOM 0 HA GLN A 71 -5.817 4.780 -7.328 1.00 0.00 H new ATOM 0 HB2 GLN A 71 -8.493 3.863 -6.225 1.00 0.00 H new ATOM 0 HB3 GLN A 71 -8.111 4.262 -7.888 1.00 0.00 H new ATOM 0 HG2 GLN A 71 -6.550 2.309 -7.951 1.00 0.00 H new ATOM 0 HG3 GLN A 71 -7.061 1.888 -6.328 1.00 0.00 H new ATOM 0 HE21 GLN A 71 -7.978 -0.065 -6.852 1.00 0.00 H new ATOM 0 HE22 GLN A 71 -9.483 -0.187 -7.768 1.00 0.00 H new ATOM 1197 N ARG A 72 -7.631 5.963 -4.855 1.00 0.00 N ATOM 1198 CA ARG A 72 -8.266 7.068 -4.199 1.00 0.00 C ATOM 1199 C ARG A 72 -7.305 8.243 -3.990 1.00 0.00 C ATOM 1200 O ARG A 72 -7.663 9.403 -4.219 1.00 0.00 O ATOM 1201 CB ARG A 72 -8.775 6.514 -2.880 1.00 0.00 C ATOM 1202 CG ARG A 72 -9.446 7.464 -1.952 1.00 0.00 C ATOM 1203 CD ARG A 72 -9.966 6.699 -0.756 1.00 0.00 C ATOM 1204 NE ARG A 72 -11.043 5.770 -1.128 1.00 0.00 N ATOM 1205 CZ ARG A 72 -11.632 4.865 -0.326 1.00 0.00 C ATOM 1206 NH1 ARG A 72 -11.263 4.724 0.948 1.00 0.00 N ATOM 1207 NH2 ARG A 72 -12.617 4.119 -0.809 1.00 0.00 N ATOM 0 H ARG A 72 -7.681 5.104 -4.307 1.00 0.00 H new ATOM 0 HA ARG A 72 -9.077 7.475 -4.803 1.00 0.00 H new ATOM 0 HB2 ARG A 72 -9.475 5.708 -3.101 1.00 0.00 H new ATOM 0 HB3 ARG A 72 -7.931 6.068 -2.354 1.00 0.00 H new ATOM 0 HG2 ARG A 72 -8.745 8.235 -1.630 1.00 0.00 H new ATOM 0 HG3 ARG A 72 -10.266 7.971 -2.460 1.00 0.00 H new ATOM 0 HD2 ARG A 72 -9.149 6.143 -0.297 1.00 0.00 H new ATOM 0 HD3 ARG A 72 -10.334 7.401 -0.008 1.00 0.00 H new ATOM 0 HE ARG A 72 -11.377 5.816 -2.091 1.00 0.00 H new ATOM 0 HH11 ARG A 72 -10.521 5.309 1.332 1.00 0.00 H new ATOM 0 HH12 ARG A 72 -11.723 4.031 1.539 1.00 0.00 H new ATOM 0 HH21 ARG A 72 -12.918 4.236 -1.777 1.00 0.00 H new ATOM 0 HH22 ARG A 72 -13.073 3.428 -0.213 1.00 0.00 H new ATOM 1221 N TYR A 73 -6.097 7.950 -3.582 1.00 0.00 N ATOM 1222 CA TYR A 73 -5.139 8.992 -3.318 1.00 0.00 C ATOM 1223 C TYR A 73 -4.176 9.275 -4.449 1.00 0.00 C ATOM 1224 O TYR A 73 -3.543 10.329 -4.452 1.00 0.00 O ATOM 1225 CB TYR A 73 -4.419 8.795 -1.995 1.00 0.00 C ATOM 1226 CG TYR A 73 -5.271 9.147 -0.813 1.00 0.00 C ATOM 1227 CD1 TYR A 73 -6.098 8.217 -0.214 1.00 0.00 C ATOM 1228 CD2 TYR A 73 -5.253 10.435 -0.305 1.00 0.00 C ATOM 1229 CE1 TYR A 73 -6.890 8.560 0.861 1.00 0.00 C ATOM 1230 CE2 TYR A 73 -6.030 10.785 0.764 1.00 0.00 C ATOM 1231 CZ TYR A 73 -6.849 9.848 1.348 1.00 0.00 C ATOM 1232 OH TYR A 73 -7.646 10.210 2.417 1.00 0.00 O ATOM 0 H TYR A 73 -5.754 7.002 -3.426 1.00 0.00 H new ATOM 0 HA TYR A 73 -5.743 9.896 -3.236 1.00 0.00 H new ATOM 0 HB2 TYR A 73 -4.100 7.756 -1.911 1.00 0.00 H new ATOM 0 HB3 TYR A 73 -3.517 9.407 -1.982 1.00 0.00 H new ATOM 0 HD1 TYR A 73 -6.125 7.206 -0.593 1.00 0.00 H new ATOM 0 HD2 TYR A 73 -4.614 11.176 -0.761 1.00 0.00 H new ATOM 0 HE1 TYR A 73 -7.537 7.825 1.317 1.00 0.00 H new ATOM 0 HE2 TYR A 73 -6.000 11.794 1.148 1.00 0.00 H new ATOM 0 HH TYR A 73 -7.493 11.153 2.634 1.00 0.00 H new ATOM 1242 N TYR A 74 -4.056 8.388 -5.423 1.00 0.00 N ATOM 1243 CA TYR A 74 -3.185 8.651 -6.541 1.00 0.00 C ATOM 1244 C TYR A 74 -3.743 9.810 -7.362 1.00 0.00 C ATOM 1245 O TYR A 74 -3.000 10.643 -7.876 1.00 0.00 O ATOM 1246 CB TYR A 74 -2.967 7.371 -7.372 1.00 0.00 C ATOM 1247 CG TYR A 74 -3.079 7.541 -8.858 1.00 0.00 C ATOM 1248 CD1 TYR A 74 -2.039 8.062 -9.618 1.00 0.00 C ATOM 1249 CD2 TYR A 74 -4.246 7.194 -9.491 1.00 0.00 C ATOM 1250 CE1 TYR A 74 -2.175 8.224 -10.977 1.00 0.00 C ATOM 1251 CE2 TYR A 74 -4.398 7.349 -10.831 1.00 0.00 C ATOM 1252 CZ TYR A 74 -3.358 7.865 -11.587 1.00 0.00 C ATOM 1253 OH TYR A 74 -3.499 8.022 -12.957 1.00 0.00 O ATOM 0 H TYR A 74 -4.546 7.494 -5.457 1.00 0.00 H new ATOM 0 HA TYR A 74 -2.201 8.952 -6.183 1.00 0.00 H new ATOM 0 HB2 TYR A 74 -1.978 6.973 -7.142 1.00 0.00 H new ATOM 0 HB3 TYR A 74 -3.693 6.623 -7.053 1.00 0.00 H new ATOM 0 HD1 TYR A 74 -1.114 8.343 -9.136 1.00 0.00 H new ATOM 0 HD2 TYR A 74 -5.061 6.789 -8.910 1.00 0.00 H new ATOM 0 HE1 TYR A 74 -1.362 8.629 -11.561 1.00 0.00 H new ATOM 0 HE2 TYR A 74 -5.327 7.071 -11.306 1.00 0.00 H new ATOM 0 HH TYR A 74 -4.391 7.721 -13.231 1.00 0.00 H new ATOM 1263 N LYS A 75 -5.051 9.884 -7.424 1.00 0.00 N ATOM 1264 CA LYS A 75 -5.721 10.939 -8.158 1.00 0.00 C ATOM 1265 C LYS A 75 -5.738 12.230 -7.344 1.00 0.00 C ATOM 1266 O LYS A 75 -5.945 13.309 -7.886 1.00 0.00 O ATOM 1267 CB LYS A 75 -7.161 10.525 -8.448 1.00 0.00 C ATOM 1268 CG LYS A 75 -7.306 9.241 -9.260 1.00 0.00 C ATOM 1269 CD LYS A 75 -8.770 8.855 -9.442 1.00 0.00 C ATOM 1270 CE LYS A 75 -9.448 8.553 -8.106 1.00 0.00 C ATOM 1271 NZ LYS A 75 -10.876 8.237 -8.272 1.00 0.00 N ATOM 0 H LYS A 75 -5.680 9.221 -6.972 1.00 0.00 H new ATOM 0 HA LYS A 75 -5.181 11.107 -9.090 1.00 0.00 H new ATOM 0 HB2 LYS A 75 -7.686 10.401 -7.501 1.00 0.00 H new ATOM 0 HB3 LYS A 75 -7.656 11.335 -8.983 1.00 0.00 H new ATOM 0 HG2 LYS A 75 -6.840 9.373 -10.236 1.00 0.00 H new ATOM 0 HG3 LYS A 75 -6.775 8.431 -8.760 1.00 0.00 H new ATOM 0 HD2 LYS A 75 -9.300 9.665 -9.943 1.00 0.00 H new ATOM 0 HD3 LYS A 75 -8.838 7.981 -10.090 1.00 0.00 H new ATOM 0 HE2 LYS A 75 -8.944 7.714 -7.625 1.00 0.00 H new ATOM 0 HE3 LYS A 75 -9.341 9.411 -7.443 1.00 0.00 H new ATOM 0 HZ1 LYS A 75 -11.298 8.039 -7.342 1.00 0.00 H new ATOM 0 HZ2 LYS A 75 -11.362 9.047 -8.707 1.00 0.00 H new ATOM 0 HZ3 LYS A 75 -10.978 7.402 -8.884 1.00 0.00 H new ATOM 1285 N LYS A 76 -5.505 12.100 -6.050 1.00 0.00 N ATOM 1286 CA LYS A 76 -5.646 13.217 -5.143 1.00 0.00 C ATOM 1287 C LYS A 76 -4.272 13.850 -4.813 1.00 0.00 C ATOM 1288 O LYS A 76 -4.096 15.057 -4.962 1.00 0.00 O ATOM 1289 CB LYS A 76 -6.370 12.715 -3.868 1.00 0.00 C ATOM 1290 CG LYS A 76 -7.158 13.762 -3.059 1.00 0.00 C ATOM 1291 CD LYS A 76 -6.294 14.776 -2.329 1.00 0.00 C ATOM 1292 CE LYS A 76 -7.165 15.737 -1.533 1.00 0.00 C ATOM 1293 NZ LYS A 76 -6.375 16.709 -0.757 1.00 0.00 N ATOM 0 H LYS A 76 -5.217 11.228 -5.606 1.00 0.00 H new ATOM 0 HA LYS A 76 -6.238 14.004 -5.610 1.00 0.00 H new ATOM 0 HB2 LYS A 76 -7.059 11.922 -4.159 1.00 0.00 H new ATOM 0 HB3 LYS A 76 -5.626 12.266 -3.209 1.00 0.00 H new ATOM 0 HG2 LYS A 76 -7.829 14.294 -3.734 1.00 0.00 H new ATOM 0 HG3 LYS A 76 -7.783 13.245 -2.331 1.00 0.00 H new ATOM 0 HD2 LYS A 76 -5.604 14.261 -1.660 1.00 0.00 H new ATOM 0 HD3 LYS A 76 -5.689 15.331 -3.046 1.00 0.00 H new ATOM 0 HE2 LYS A 76 -7.825 16.273 -2.215 1.00 0.00 H new ATOM 0 HE3 LYS A 76 -7.801 15.168 -0.855 1.00 0.00 H new ATOM 0 HZ1 LYS A 76 -7.016 17.339 -0.234 1.00 0.00 H new ATOM 0 HZ2 LYS A 76 -5.764 16.202 -0.085 1.00 0.00 H new ATOM 0 HZ3 LYS A 76 -5.787 17.273 -1.403 1.00 0.00 H new ATOM 1307 N ILE A 77 -3.301 13.035 -4.398 1.00 0.00 N ATOM 1308 CA ILE A 77 -1.983 13.565 -3.996 1.00 0.00 C ATOM 1309 C ILE A 77 -0.837 13.024 -4.853 1.00 0.00 C ATOM 1310 O ILE A 77 0.254 13.598 -4.874 1.00 0.00 O ATOM 1311 CB ILE A 77 -1.655 13.298 -2.491 1.00 0.00 C ATOM 1312 CG1 ILE A 77 -1.658 11.789 -2.182 1.00 0.00 C ATOM 1313 CG2 ILE A 77 -2.631 14.043 -1.587 1.00 0.00 C ATOM 1314 CD1 ILE A 77 -1.233 11.438 -0.769 1.00 0.00 C ATOM 0 H ILE A 77 -3.392 12.021 -4.329 1.00 0.00 H new ATOM 0 HA ILE A 77 -2.064 14.640 -4.155 1.00 0.00 H new ATOM 0 HB ILE A 77 -0.652 13.675 -2.292 1.00 0.00 H new ATOM 0 HG12 ILE A 77 -2.660 11.397 -2.355 1.00 0.00 H new ATOM 0 HG13 ILE A 77 -0.993 11.285 -2.884 1.00 0.00 H new ATOM 0 HG21 ILE A 77 -2.385 13.844 -0.544 1.00 0.00 H new ATOM 0 HG22 ILE A 77 -2.560 15.114 -1.779 1.00 0.00 H new ATOM 0 HG23 ILE A 77 -3.647 13.705 -1.791 1.00 0.00 H new ATOM 0 HD11 ILE A 77 -1.264 10.356 -0.638 1.00 0.00 H new ATOM 0 HD12 ILE A 77 -0.218 11.796 -0.595 1.00 0.00 H new ATOM 0 HD13 ILE A 77 -1.911 11.909 -0.057 1.00 0.00 H new ATOM 1326 N GLY A 78 -1.058 11.911 -5.504 1.00 0.00 N ATOM 1327 CA GLY A 78 -0.035 11.337 -6.360 1.00 0.00 C ATOM 1328 C GLY A 78 0.384 9.987 -5.852 1.00 0.00 C ATOM 1329 O GLY A 78 0.530 9.808 -4.643 1.00 0.00 O ATOM 0 H GLY A 78 -1.929 11.382 -5.463 1.00 0.00 H new ATOM 0 HA2 GLY A 78 -0.414 11.247 -7.378 1.00 0.00 H new ATOM 0 HA3 GLY A 78 0.829 12.001 -6.399 1.00 0.00 H new ATOM 1333 N ILE A 79 0.604 9.047 -6.759 1.00 0.00 N ATOM 1334 CA ILE A 79 0.889 7.665 -6.386 1.00 0.00 C ATOM 1335 C ILE A 79 2.216 7.539 -5.623 1.00 0.00 C ATOM 1336 O ILE A 79 2.295 6.795 -4.652 1.00 0.00 O ATOM 1337 CB ILE A 79 0.831 6.677 -7.616 1.00 0.00 C ATOM 1338 CG1 ILE A 79 1.004 5.212 -7.180 1.00 0.00 C ATOM 1339 CG2 ILE A 79 1.850 7.032 -8.693 1.00 0.00 C ATOM 1340 CD1 ILE A 79 -0.088 4.706 -6.258 1.00 0.00 C ATOM 0 H ILE A 79 0.591 9.215 -7.765 1.00 0.00 H new ATOM 0 HA ILE A 79 0.091 7.363 -5.707 1.00 0.00 H new ATOM 0 HB ILE A 79 -0.163 6.791 -8.049 1.00 0.00 H new ATOM 0 HG12 ILE A 79 1.035 4.581 -8.068 1.00 0.00 H new ATOM 0 HG13 ILE A 79 1.966 5.105 -6.679 1.00 0.00 H new ATOM 0 HG21 ILE A 79 1.770 6.323 -9.517 1.00 0.00 H new ATOM 0 HG22 ILE A 79 1.655 8.039 -9.061 1.00 0.00 H new ATOM 0 HG23 ILE A 79 2.855 6.988 -8.272 1.00 0.00 H new ATOM 0 HD11 ILE A 79 0.108 3.666 -5.998 1.00 0.00 H new ATOM 0 HD12 ILE A 79 -0.107 5.310 -5.351 1.00 0.00 H new ATOM 0 HD13 ILE A 79 -1.052 4.778 -6.762 1.00 0.00 H new ATOM 1352 N GLU A 80 3.220 8.322 -6.029 1.00 0.00 N ATOM 1353 CA GLU A 80 4.550 8.307 -5.399 1.00 0.00 C ATOM 1354 C GLU A 80 4.417 8.598 -3.913 1.00 0.00 C ATOM 1355 O GLU A 80 5.023 7.932 -3.053 1.00 0.00 O ATOM 1356 CB GLU A 80 5.467 9.384 -5.998 1.00 0.00 C ATOM 1357 CG GLU A 80 5.523 9.448 -7.518 1.00 0.00 C ATOM 1358 CD GLU A 80 4.424 10.313 -8.105 1.00 0.00 C ATOM 1359 OE1 GLU A 80 3.289 9.843 -8.264 1.00 0.00 O ATOM 1360 OE2 GLU A 80 4.695 11.486 -8.432 1.00 0.00 O ATOM 0 H GLU A 80 3.137 8.983 -6.801 1.00 0.00 H new ATOM 0 HA GLU A 80 4.981 7.321 -5.573 1.00 0.00 H new ATOM 0 HB2 GLU A 80 5.143 10.356 -5.626 1.00 0.00 H new ATOM 0 HB3 GLU A 80 6.478 9.220 -5.624 1.00 0.00 H new ATOM 0 HG2 GLU A 80 6.492 9.839 -7.826 1.00 0.00 H new ATOM 0 HG3 GLU A 80 5.443 8.440 -7.924 1.00 0.00 H new ATOM 1367 N ASN A 81 3.620 9.597 -3.637 1.00 0.00 N ATOM 1368 CA ASN A 81 3.316 10.038 -2.293 1.00 0.00 C ATOM 1369 C ASN A 81 2.640 8.950 -1.506 1.00 0.00 C ATOM 1370 O ASN A 81 3.070 8.628 -0.397 1.00 0.00 O ATOM 1371 CB ASN A 81 2.442 11.301 -2.327 1.00 0.00 C ATOM 1372 CG ASN A 81 3.237 12.544 -2.653 1.00 0.00 C ATOM 1373 OD1 ASN A 81 4.405 12.656 -2.295 1.00 0.00 O ATOM 1374 ND2 ASN A 81 2.636 13.474 -3.335 1.00 0.00 N ATOM 0 H ASN A 81 3.150 10.144 -4.358 1.00 0.00 H new ATOM 0 HA ASN A 81 4.256 10.278 -1.796 1.00 0.00 H new ATOM 0 HB2 ASN A 81 1.653 11.173 -3.068 1.00 0.00 H new ATOM 0 HB3 ASN A 81 1.954 11.428 -1.360 1.00 0.00 H new ATOM 0 HD21 ASN A 81 3.137 14.326 -3.587 1.00 0.00 H new ATOM 0 HD22 ASN A 81 1.664 13.351 -3.618 1.00 0.00 H new ATOM 1381 N VAL A 82 1.623 8.346 -2.101 1.00 0.00 N ATOM 1382 CA VAL A 82 0.847 7.303 -1.439 1.00 0.00 C ATOM 1383 C VAL A 82 1.732 6.106 -1.115 1.00 0.00 C ATOM 1384 O VAL A 82 1.697 5.596 -0.009 1.00 0.00 O ATOM 1385 CB VAL A 82 -0.356 6.823 -2.296 1.00 0.00 C ATOM 1386 CG1 VAL A 82 -1.250 5.884 -1.499 1.00 0.00 C ATOM 1387 CG2 VAL A 82 -1.156 7.990 -2.810 1.00 0.00 C ATOM 0 H VAL A 82 1.312 8.561 -3.048 1.00 0.00 H new ATOM 0 HA VAL A 82 0.456 7.742 -0.522 1.00 0.00 H new ATOM 0 HB VAL A 82 0.045 6.279 -3.151 1.00 0.00 H new ATOM 0 HG11 VAL A 82 -2.085 5.562 -2.121 1.00 0.00 H new ATOM 0 HG12 VAL A 82 -0.675 5.013 -1.185 1.00 0.00 H new ATOM 0 HG13 VAL A 82 -1.631 6.404 -0.620 1.00 0.00 H new ATOM 0 HG21 VAL A 82 -1.992 7.624 -3.407 1.00 0.00 H new ATOM 0 HG22 VAL A 82 -1.537 8.569 -1.969 1.00 0.00 H new ATOM 0 HG23 VAL A 82 -0.519 8.624 -3.428 1.00 0.00 H new ATOM 1397 N ASN A 83 2.551 5.706 -2.076 1.00 0.00 N ATOM 1398 CA ASN A 83 3.453 4.552 -1.930 1.00 0.00 C ATOM 1399 C ASN A 83 4.355 4.684 -0.708 1.00 0.00 C ATOM 1400 O ASN A 83 4.457 3.766 0.114 1.00 0.00 O ATOM 1401 CB ASN A 83 4.295 4.322 -3.210 1.00 0.00 C ATOM 1402 CG ASN A 83 3.459 3.856 -4.399 1.00 0.00 C ATOM 1403 OD1 ASN A 83 2.425 3.225 -4.237 1.00 0.00 O ATOM 1404 ND2 ASN A 83 3.903 4.134 -5.601 1.00 0.00 N ATOM 0 H ASN A 83 2.616 6.167 -2.984 1.00 0.00 H new ATOM 0 HA ASN A 83 2.820 3.677 -1.780 1.00 0.00 H new ATOM 0 HB2 ASN A 83 4.806 5.248 -3.473 1.00 0.00 H new ATOM 0 HB3 ASN A 83 5.066 3.580 -3.002 1.00 0.00 H new ATOM 0 HD21 ASN A 83 3.383 3.822 -6.421 1.00 0.00 H new ATOM 0 HD22 ASN A 83 4.768 4.662 -5.716 1.00 0.00 H new ATOM 1411 N GLN A 84 4.956 5.847 -0.552 1.00 0.00 N ATOM 1412 CA GLN A 84 5.850 6.106 0.572 1.00 0.00 C ATOM 1413 C GLN A 84 5.012 6.107 1.872 1.00 0.00 C ATOM 1414 O GLN A 84 5.412 5.543 2.899 1.00 0.00 O ATOM 1415 CB GLN A 84 6.556 7.466 0.361 1.00 0.00 C ATOM 1416 CG GLN A 84 7.899 7.686 1.108 1.00 0.00 C ATOM 1417 CD GLN A 84 7.813 7.622 2.624 1.00 0.00 C ATOM 1418 OE1 GLN A 84 7.546 8.621 3.279 1.00 0.00 O ATOM 1419 NE2 GLN A 84 8.114 6.479 3.194 1.00 0.00 N ATOM 0 H GLN A 84 4.844 6.635 -1.190 1.00 0.00 H new ATOM 0 HA GLN A 84 6.617 5.335 0.645 1.00 0.00 H new ATOM 0 HB2 GLN A 84 6.738 7.591 -0.706 1.00 0.00 H new ATOM 0 HB3 GLN A 84 5.867 8.256 0.662 1.00 0.00 H new ATOM 0 HG2 GLN A 84 8.613 6.935 0.768 1.00 0.00 H new ATOM 0 HG3 GLN A 84 8.300 8.659 0.823 1.00 0.00 H new ATOM 0 HE21 GLN A 84 8.332 5.665 2.620 1.00 0.00 H new ATOM 0 HE22 GLN A 84 8.130 6.405 4.211 1.00 0.00 H new ATOM 1428 N LEU A 85 3.830 6.690 1.803 1.00 0.00 N ATOM 1429 CA LEU A 85 2.941 6.757 2.953 1.00 0.00 C ATOM 1430 C LEU A 85 2.466 5.359 3.386 1.00 0.00 C ATOM 1431 O LEU A 85 2.368 5.087 4.578 1.00 0.00 O ATOM 1432 CB LEU A 85 1.767 7.716 2.701 1.00 0.00 C ATOM 1433 CG LEU A 85 2.158 9.190 2.464 1.00 0.00 C ATOM 1434 CD1 LEU A 85 0.940 10.038 2.151 1.00 0.00 C ATOM 1435 CD2 LEU A 85 2.905 9.759 3.667 1.00 0.00 C ATOM 0 H LEU A 85 3.460 7.127 0.959 1.00 0.00 H new ATOM 0 HA LEU A 85 3.513 7.166 3.786 1.00 0.00 H new ATOM 0 HB2 LEU A 85 1.209 7.361 1.834 1.00 0.00 H new ATOM 0 HB3 LEU A 85 1.092 7.669 3.555 1.00 0.00 H new ATOM 0 HG LEU A 85 2.823 9.217 1.601 1.00 0.00 H new ATOM 0 HD11 LEU A 85 1.248 11.071 1.989 1.00 0.00 H new ATOM 0 HD12 LEU A 85 0.454 9.659 1.252 1.00 0.00 H new ATOM 0 HD13 LEU A 85 0.242 9.994 2.987 1.00 0.00 H new ATOM 0 HD21 LEU A 85 3.169 10.799 3.473 1.00 0.00 H new ATOM 0 HD22 LEU A 85 2.268 9.705 4.550 1.00 0.00 H new ATOM 0 HD23 LEU A 85 3.813 9.181 3.838 1.00 0.00 H new ATOM 1447 N ILE A 86 2.224 4.470 2.424 1.00 0.00 N ATOM 1448 CA ILE A 86 1.847 3.079 2.718 1.00 0.00 C ATOM 1449 C ILE A 86 2.994 2.370 3.446 1.00 0.00 C ATOM 1450 O ILE A 86 2.778 1.636 4.417 1.00 0.00 O ATOM 1451 CB ILE A 86 1.461 2.282 1.424 1.00 0.00 C ATOM 1452 CG1 ILE A 86 0.235 2.910 0.727 1.00 0.00 C ATOM 1453 CG2 ILE A 86 1.210 0.799 1.722 1.00 0.00 C ATOM 1454 CD1 ILE A 86 -1.024 2.975 1.580 1.00 0.00 C ATOM 0 H ILE A 86 2.281 4.685 1.429 1.00 0.00 H new ATOM 0 HA ILE A 86 0.965 3.108 3.358 1.00 0.00 H new ATOM 0 HB ILE A 86 2.311 2.344 0.745 1.00 0.00 H new ATOM 0 HG12 ILE A 86 0.494 3.920 0.410 1.00 0.00 H new ATOM 0 HG13 ILE A 86 0.016 2.339 -0.175 1.00 0.00 H new ATOM 0 HG21 ILE A 86 0.945 0.282 0.800 1.00 0.00 H new ATOM 0 HG22 ILE A 86 2.113 0.354 2.141 1.00 0.00 H new ATOM 0 HG23 ILE A 86 0.393 0.705 2.438 1.00 0.00 H new ATOM 0 HD11 ILE A 86 -1.830 3.431 1.005 1.00 0.00 H new ATOM 0 HD12 ILE A 86 -1.315 1.967 1.877 1.00 0.00 H new ATOM 0 HD13 ILE A 86 -0.830 3.573 2.470 1.00 0.00 H new ATOM 1466 N LEU A 87 4.212 2.641 3.009 1.00 0.00 N ATOM 1467 CA LEU A 87 5.396 2.078 3.642 1.00 0.00 C ATOM 1468 C LEU A 87 5.551 2.598 5.066 1.00 0.00 C ATOM 1469 O LEU A 87 5.926 1.862 5.971 1.00 0.00 O ATOM 1470 CB LEU A 87 6.642 2.367 2.811 1.00 0.00 C ATOM 1471 CG LEU A 87 6.660 1.726 1.426 1.00 0.00 C ATOM 1472 CD1 LEU A 87 7.919 2.099 0.679 1.00 0.00 C ATOM 1473 CD2 LEU A 87 6.539 0.215 1.542 1.00 0.00 C ATOM 0 H LEU A 87 4.409 3.250 2.215 1.00 0.00 H new ATOM 0 HA LEU A 87 5.272 0.996 3.695 1.00 0.00 H new ATOM 0 HB2 LEU A 87 6.741 3.446 2.696 1.00 0.00 H new ATOM 0 HB3 LEU A 87 7.516 2.024 3.364 1.00 0.00 H new ATOM 0 HG LEU A 87 5.806 2.102 0.863 1.00 0.00 H new ATOM 0 HD11 LEU A 87 7.910 1.631 -0.305 1.00 0.00 H new ATOM 0 HD12 LEU A 87 7.967 3.182 0.565 1.00 0.00 H new ATOM 0 HD13 LEU A 87 8.789 1.754 1.237 1.00 0.00 H new ATOM 0 HD21 LEU A 87 6.553 -0.229 0.546 1.00 0.00 H new ATOM 0 HD22 LEU A 87 7.375 -0.173 2.124 1.00 0.00 H new ATOM 0 HD23 LEU A 87 5.602 -0.038 2.039 1.00 0.00 H new ATOM 1485 N THR A 88 5.213 3.851 5.249 1.00 0.00 N ATOM 1486 CA THR A 88 5.229 4.488 6.552 1.00 0.00 C ATOM 1487 C THR A 88 4.135 3.862 7.460 1.00 0.00 C ATOM 1488 O THR A 88 4.289 3.745 8.669 1.00 0.00 O ATOM 1489 CB THR A 88 4.995 6.009 6.384 1.00 0.00 C ATOM 1490 OG1 THR A 88 5.989 6.549 5.478 1.00 0.00 O ATOM 1491 CG2 THR A 88 5.082 6.735 7.720 1.00 0.00 C ATOM 0 H THR A 88 4.915 4.467 4.493 1.00 0.00 H new ATOM 0 HA THR A 88 6.199 4.331 7.025 1.00 0.00 H new ATOM 0 HB THR A 88 3.994 6.158 5.980 1.00 0.00 H new ATOM 0 HG1 THR A 88 5.801 6.244 4.566 1.00 0.00 H new ATOM 0 HG21 THR A 88 4.913 7.801 7.567 1.00 0.00 H new ATOM 0 HG22 THR A 88 4.325 6.341 8.398 1.00 0.00 H new ATOM 0 HG23 THR A 88 6.071 6.583 8.153 1.00 0.00 H new ATOM 1499 N THR A 89 3.049 3.479 6.840 1.00 0.00 N ATOM 1500 CA THR A 89 1.918 2.870 7.500 1.00 0.00 C ATOM 1501 C THR A 89 2.265 1.477 8.072 1.00 0.00 C ATOM 1502 O THR A 89 1.924 1.158 9.222 1.00 0.00 O ATOM 1503 CB THR A 89 0.763 2.765 6.479 1.00 0.00 C ATOM 1504 OG1 THR A 89 0.387 4.077 6.063 1.00 0.00 O ATOM 1505 CG2 THR A 89 -0.452 2.034 7.021 1.00 0.00 C ATOM 0 H THR A 89 2.921 3.584 5.834 1.00 0.00 H new ATOM 0 HA THR A 89 1.623 3.490 8.347 1.00 0.00 H new ATOM 0 HB THR A 89 1.130 2.178 5.637 1.00 0.00 H new ATOM 0 HG1 THR A 89 1.089 4.453 5.491 1.00 0.00 H new ATOM 0 HG21 THR A 89 -1.226 1.996 6.254 1.00 0.00 H new ATOM 0 HG22 THR A 89 -0.170 1.020 7.303 1.00 0.00 H new ATOM 0 HG23 THR A 89 -0.834 2.561 7.895 1.00 0.00 H new ATOM 1513 N ILE A 90 2.957 0.669 7.286 1.00 0.00 N ATOM 1514 CA ILE A 90 3.262 -0.693 7.698 1.00 0.00 C ATOM 1515 C ILE A 90 4.476 -0.785 8.592 1.00 0.00 C ATOM 1516 O ILE A 90 4.522 -1.624 9.484 1.00 0.00 O ATOM 1517 CB ILE A 90 3.437 -1.658 6.503 1.00 0.00 C ATOM 1518 CG1 ILE A 90 4.565 -1.191 5.561 1.00 0.00 C ATOM 1519 CG2 ILE A 90 2.132 -1.789 5.759 1.00 0.00 C ATOM 1520 CD1 ILE A 90 4.878 -2.153 4.437 1.00 0.00 C ATOM 0 H ILE A 90 3.316 0.928 6.367 1.00 0.00 H new ATOM 0 HA ILE A 90 2.388 -1.003 8.271 1.00 0.00 H new ATOM 0 HB ILE A 90 3.725 -2.636 6.889 1.00 0.00 H new ATOM 0 HG12 ILE A 90 4.288 -0.228 5.132 1.00 0.00 H new ATOM 0 HG13 ILE A 90 5.469 -1.031 6.148 1.00 0.00 H new ATOM 0 HG21 ILE A 90 2.260 -2.470 4.918 1.00 0.00 H new ATOM 0 HG22 ILE A 90 1.368 -2.181 6.430 1.00 0.00 H new ATOM 0 HG23 ILE A 90 1.824 -0.811 5.390 1.00 0.00 H new ATOM 0 HD11 ILE A 90 5.682 -1.747 3.824 1.00 0.00 H new ATOM 0 HD12 ILE A 90 5.188 -3.111 4.854 1.00 0.00 H new ATOM 0 HD13 ILE A 90 3.989 -2.296 3.822 1.00 0.00 H new