USER MOD reduce.3.24.130724 H: found=0, std=0, add=584, rem=0, adj=15 USER MOD reduce.3.24.130724 removed 585 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 60 TYR OH : rot 0:sc= 0.504 USER MOD Set 1.2: A 70 SER OG : rot 138:sc= 0.542 USER MOD Set 2.1: A 39 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Set 2.2: A 44 THR OG1 : rot 180:sc= 0 USER MOD Single : A 1 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 1 MET N :NH3+ 157:sc= -0.148 (180deg=-0.876) USER MOD Single : A 2 TYR OH : rot 180:sc= 0 USER MOD Single : A 5 LYS NZ :NH3+ 176:sc= -0.209 (180deg=-0.299) USER MOD Single : A 24 LYS NZ :NH3+ 160:sc= -0.072 (180deg=-0.706) USER MOD Single : A 28 MET CE :methyl -158:sc= -0.056 (180deg=-0.721) USER MOD Single : A 31 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 33 GLN : amide:sc= -1.26 K(o=-1.3,f=-3!) USER MOD Single : A 40 THR OG1 : rot 180:sc= -0.194! USER MOD Single : A 42 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 46 LYS NZ :NH3+ 164:sc= -0.0436 (180deg=-0.419) USER MOD Single : A 49 SER OG : rot 180:sc= -0.603 USER MOD Single : A 54 LYS NZ :NH3+ -163:sc= -0.0227 (180deg=-0.356) USER MOD Single : A 57 LYS NZ :NH3+ -166:sc= 0 (180deg=-0.213) USER MOD Single : A 64 GLN : amide:sc= -0.372 K(o=-0.37,f=-6.4!) USER MOD Single : A 71 THR OG1 : rot 19:sc= 0.412 USER MOD Single : A 74 GLN : amide:sc= -0.0323 K(o=-0.032,f=-1.7!) USER MOD Single : A 77 THR OG1 : rot 180:sc= -0.451 USER MOD ----------------------------------------------------------------- ATOM 1 N MET A 1 72.233 0.793 -11.766 1.00 0.00 N ATOM 2 CA MET A 1 71.416 0.433 -10.573 1.00 0.00 C ATOM 3 C MET A 1 71.641 -1.039 -10.241 1.00 0.00 C ATOM 4 O MET A 1 72.282 -1.765 -11.002 1.00 0.00 O ATOM 5 CB MET A 1 69.936 0.683 -10.885 1.00 0.00 C ATOM 6 CG MET A 1 69.636 0.217 -12.310 1.00 0.00 C ATOM 7 SD MET A 1 67.849 0.244 -12.594 1.00 0.00 S ATOM 8 CE MET A 1 67.872 -0.432 -14.272 1.00 0.00 C ATOM 0 H1 MET A 1 71.820 1.627 -12.231 1.00 0.00 H new ATOM 0 H2 MET A 1 73.206 1.009 -11.468 1.00 0.00 H new ATOM 0 H3 MET A 1 72.244 -0.005 -12.433 1.00 0.00 H new ATOM 0 HA MET A 1 71.709 1.042 -9.718 1.00 0.00 H new ATOM 0 HB2 MET A 1 69.307 0.147 -10.174 1.00 0.00 H new ATOM 0 HB3 MET A 1 69.704 1.743 -10.780 1.00 0.00 H new ATOM 0 HG2 MET A 1 70.138 0.865 -13.029 1.00 0.00 H new ATOM 0 HG3 MET A 1 70.024 -0.790 -12.463 1.00 0.00 H new ATOM 0 HE1 MET A 1 66.852 -0.503 -14.650 1.00 0.00 H new ATOM 0 HE2 MET A 1 68.454 0.223 -14.920 1.00 0.00 H new ATOM 0 HE3 MET A 1 68.324 -1.424 -14.259 1.00 0.00 H new ATOM 20 N TYR A 2 71.106 -1.483 -9.104 1.00 0.00 N ATOM 21 CA TYR A 2 71.253 -2.878 -8.687 1.00 0.00 C ATOM 22 C TYR A 2 69.942 -3.374 -8.088 1.00 0.00 C ATOM 23 O TYR A 2 69.184 -2.596 -7.508 1.00 0.00 O ATOM 24 CB TYR A 2 72.391 -3.002 -7.655 1.00 0.00 C ATOM 25 CG TYR A 2 73.077 -4.358 -7.779 1.00 0.00 C ATOM 26 CD1 TYR A 2 72.584 -5.470 -7.073 1.00 0.00 C ATOM 27 CD2 TYR A 2 74.213 -4.506 -8.606 1.00 0.00 C ATOM 28 CE1 TYR A 2 73.218 -6.714 -7.194 1.00 0.00 C ATOM 29 CE2 TYR A 2 74.839 -5.753 -8.720 1.00 0.00 C ATOM 30 CZ TYR A 2 74.342 -6.855 -8.014 1.00 0.00 C ATOM 31 OH TYR A 2 74.963 -8.082 -8.126 1.00 0.00 O ATOM 0 H TYR A 2 70.570 -0.902 -8.459 1.00 0.00 H new ATOM 0 HA TYR A 2 71.501 -3.489 -9.555 1.00 0.00 H new ATOM 0 HB2 TYR A 2 73.118 -2.204 -7.808 1.00 0.00 H new ATOM 0 HB3 TYR A 2 71.992 -2.880 -6.648 1.00 0.00 H new ATOM 0 HD1 TYR A 2 71.717 -5.365 -6.438 1.00 0.00 H new ATOM 0 HD2 TYR A 2 74.599 -3.657 -9.150 1.00 0.00 H new ATOM 0 HE1 TYR A 2 72.837 -7.567 -6.652 1.00 0.00 H new ATOM 0 HE2 TYR A 2 75.707 -5.865 -9.353 1.00 0.00 H new ATOM 0 HH TYR A 2 75.727 -8.008 -8.735 1.00 0.00 H new ATOM 41 N GLU A 3 69.682 -4.671 -8.230 1.00 0.00 N ATOM 42 CA GLU A 3 68.452 -5.266 -7.700 1.00 0.00 C ATOM 43 C GLU A 3 68.783 -6.464 -6.816 1.00 0.00 C ATOM 44 O GLU A 3 69.600 -7.309 -7.185 1.00 0.00 O ATOM 45 CB GLU A 3 67.561 -5.707 -8.863 1.00 0.00 C ATOM 46 CG GLU A 3 67.056 -4.474 -9.622 1.00 0.00 C ATOM 47 CD GLU A 3 66.196 -4.902 -10.808 1.00 0.00 C ATOM 48 OE1 GLU A 3 65.974 -6.092 -10.956 1.00 0.00 O ATOM 49 OE2 GLU A 3 65.779 -4.032 -11.554 1.00 0.00 O ATOM 0 H GLU A 3 70.300 -5.329 -8.704 1.00 0.00 H new ATOM 0 HA GLU A 3 67.926 -4.525 -7.098 1.00 0.00 H new ATOM 0 HB2 GLU A 3 68.120 -6.357 -9.536 1.00 0.00 H new ATOM 0 HB3 GLU A 3 66.717 -6.286 -8.488 1.00 0.00 H new ATOM 0 HG2 GLU A 3 66.476 -3.838 -8.953 1.00 0.00 H new ATOM 0 HG3 GLU A 3 67.901 -3.881 -9.971 1.00 0.00 H new ATOM 56 N PHE A 4 68.151 -6.530 -5.642 1.00 0.00 N ATOM 57 CA PHE A 4 68.397 -7.637 -4.709 1.00 0.00 C ATOM 58 C PHE A 4 67.454 -8.799 -5.019 1.00 0.00 C ATOM 59 O PHE A 4 66.241 -8.695 -4.845 1.00 0.00 O ATOM 60 CB PHE A 4 68.214 -7.153 -3.248 1.00 0.00 C ATOM 61 CG PHE A 4 67.917 -8.297 -2.273 1.00 0.00 C ATOM 62 CD1 PHE A 4 68.523 -9.562 -2.420 1.00 0.00 C ATOM 63 CD2 PHE A 4 67.024 -8.073 -1.206 1.00 0.00 C ATOM 64 CE1 PHE A 4 68.229 -10.584 -1.504 1.00 0.00 C ATOM 65 CE2 PHE A 4 66.739 -9.099 -0.302 1.00 0.00 C ATOM 66 CZ PHE A 4 67.339 -10.350 -0.449 1.00 0.00 C ATOM 0 H PHE A 4 67.473 -5.841 -5.316 1.00 0.00 H new ATOM 0 HA PHE A 4 69.423 -7.985 -4.828 1.00 0.00 H new ATOM 0 HB2 PHE A 4 69.117 -6.634 -2.927 1.00 0.00 H new ATOM 0 HB3 PHE A 4 67.400 -6.429 -3.210 1.00 0.00 H new ATOM 0 HD1 PHE A 4 69.210 -9.743 -3.233 1.00 0.00 H new ATOM 0 HD2 PHE A 4 66.559 -7.106 -1.087 1.00 0.00 H new ATOM 0 HE1 PHE A 4 68.691 -11.554 -1.613 1.00 0.00 H new ATOM 0 HE2 PHE A 4 66.052 -8.923 0.513 1.00 0.00 H new ATOM 0 HZ PHE A 4 67.116 -11.140 0.253 1.00 0.00 H new ATOM 76 N LYS A 5 68.033 -9.903 -5.484 1.00 0.00 N ATOM 77 CA LYS A 5 67.260 -11.098 -5.828 1.00 0.00 C ATOM 78 C LYS A 5 67.684 -12.256 -4.939 1.00 0.00 C ATOM 79 O LYS A 5 68.838 -12.676 -4.967 1.00 0.00 O ATOM 80 CB LYS A 5 67.499 -11.471 -7.294 1.00 0.00 C ATOM 81 CG LYS A 5 66.877 -10.407 -8.201 1.00 0.00 C ATOM 82 CD LYS A 5 67.112 -10.780 -9.667 1.00 0.00 C ATOM 83 CE LYS A 5 66.424 -9.747 -10.561 1.00 0.00 C ATOM 84 NZ LYS A 5 67.068 -8.416 -10.372 1.00 0.00 N ATOM 0 H LYS A 5 69.038 -9.997 -5.632 1.00 0.00 H new ATOM 0 HA LYS A 5 66.201 -10.890 -5.677 1.00 0.00 H new ATOM 0 HB2 LYS A 5 68.568 -11.551 -7.490 1.00 0.00 H new ATOM 0 HB3 LYS A 5 67.062 -12.446 -7.508 1.00 0.00 H new ATOM 0 HG2 LYS A 5 65.808 -10.326 -8.003 1.00 0.00 H new ATOM 0 HG3 LYS A 5 67.316 -9.432 -7.989 1.00 0.00 H new ATOM 0 HD2 LYS A 5 68.180 -10.811 -9.881 1.00 0.00 H new ATOM 0 HD3 LYS A 5 66.717 -11.776 -9.870 1.00 0.00 H new ATOM 0 HE2 LYS A 5 66.493 -10.051 -11.605 1.00 0.00 H new ATOM 0 HE3 LYS A 5 65.364 -9.688 -10.316 1.00 0.00 H new ATOM 0 HZ1 LYS A 5 66.645 -7.729 -11.029 1.00 0.00 H new ATOM 0 HZ2 LYS A 5 66.921 -8.095 -9.394 1.00 0.00 H new ATOM 0 HZ3 LYS A 5 68.088 -8.494 -10.561 1.00 0.00 H new ATOM 98 N LEU A 6 66.749 -12.760 -4.141 1.00 0.00 N ATOM 99 CA LEU A 6 67.066 -13.874 -3.233 1.00 0.00 C ATOM 100 C LEU A 6 67.832 -14.967 -3.998 1.00 0.00 C ATOM 101 O LEU A 6 67.239 -15.666 -4.817 1.00 0.00 O ATOM 102 CB LEU A 6 65.781 -14.486 -2.631 1.00 0.00 C ATOM 103 CG LEU A 6 66.100 -15.209 -1.312 1.00 0.00 C ATOM 104 CD1 LEU A 6 64.793 -15.624 -0.635 1.00 0.00 C ATOM 105 CD2 LEU A 6 66.953 -16.459 -1.582 1.00 0.00 C ATOM 0 H LEU A 6 65.785 -12.430 -4.098 1.00 0.00 H new ATOM 0 HA LEU A 6 67.680 -13.483 -2.422 1.00 0.00 H new ATOM 0 HB2 LEU A 6 65.045 -13.702 -2.455 1.00 0.00 H new ATOM 0 HB3 LEU A 6 65.337 -15.186 -3.339 1.00 0.00 H new ATOM 0 HG LEU A 6 66.657 -14.534 -0.663 1.00 0.00 H new ATOM 0 HD11 LEU A 6 65.015 -16.137 0.301 1.00 0.00 H new ATOM 0 HD12 LEU A 6 64.192 -14.738 -0.429 1.00 0.00 H new ATOM 0 HD13 LEU A 6 64.239 -16.293 -1.293 1.00 0.00 H new ATOM 0 HD21 LEU A 6 67.171 -16.961 -0.639 1.00 0.00 H new ATOM 0 HD22 LEU A 6 66.407 -17.138 -2.237 1.00 0.00 H new ATOM 0 HD23 LEU A 6 67.887 -16.166 -2.062 1.00 0.00 H new ATOM 117 N PRO A 7 69.123 -15.139 -3.770 1.00 0.00 N ATOM 118 CA PRO A 7 69.911 -16.181 -4.491 1.00 0.00 C ATOM 119 C PRO A 7 69.673 -17.572 -3.903 1.00 0.00 C ATOM 120 O PRO A 7 69.442 -17.709 -2.702 1.00 0.00 O ATOM 121 CB PRO A 7 71.359 -15.727 -4.288 1.00 0.00 C ATOM 122 CG PRO A 7 71.358 -15.048 -2.957 1.00 0.00 C ATOM 123 CD PRO A 7 69.976 -14.396 -2.808 1.00 0.00 C ATOM 0 HA PRO A 7 69.636 -16.270 -5.542 1.00 0.00 H new ATOM 0 HB2 PRO A 7 72.045 -16.574 -4.301 1.00 0.00 H new ATOM 0 HB3 PRO A 7 71.676 -15.048 -5.079 1.00 0.00 H new ATOM 0 HG2 PRO A 7 71.539 -15.764 -2.155 1.00 0.00 H new ATOM 0 HG3 PRO A 7 72.149 -14.300 -2.901 1.00 0.00 H new ATOM 0 HD2 PRO A 7 69.600 -14.486 -1.789 1.00 0.00 H new ATOM 0 HD3 PRO A 7 70.009 -13.332 -3.043 1.00 0.00 H new ATOM 221 N GLU A 15 60.009 -20.634 -1.596 1.00 0.00 N ATOM 222 CA GLU A 15 59.265 -19.369 -1.551 1.00 0.00 C ATOM 223 C GLU A 15 59.921 -18.405 -0.568 1.00 0.00 C ATOM 224 O GLU A 15 60.523 -18.825 0.421 1.00 0.00 O ATOM 225 CB GLU A 15 57.804 -19.588 -1.127 1.00 0.00 C ATOM 226 CG GLU A 15 57.056 -20.425 -2.174 1.00 0.00 C ATOM 227 CD GLU A 15 57.318 -21.910 -1.957 1.00 0.00 C ATOM 228 OE1 GLU A 15 58.123 -22.228 -1.103 1.00 0.00 O ATOM 229 OE2 GLU A 15 56.702 -22.706 -2.646 1.00 0.00 O ATOM 0 HA GLU A 15 59.281 -18.949 -2.557 1.00 0.00 H new ATOM 0 HB2 GLU A 15 57.772 -20.092 -0.161 1.00 0.00 H new ATOM 0 HB3 GLU A 15 57.308 -18.625 -1.001 1.00 0.00 H new ATOM 0 HG2 GLU A 15 55.986 -20.226 -2.111 1.00 0.00 H new ATOM 0 HG3 GLU A 15 57.376 -20.136 -3.175 1.00 0.00 H new ATOM 236 N GLY A 16 59.798 -17.105 -0.841 1.00 0.00 N ATOM 237 CA GLY A 16 60.382 -16.082 0.031 1.00 0.00 C ATOM 238 C GLY A 16 59.312 -15.445 0.918 1.00 0.00 C ATOM 239 O GLY A 16 58.383 -14.813 0.416 1.00 0.00 O ATOM 0 H GLY A 16 59.303 -16.736 -1.653 1.00 0.00 H new ATOM 0 HA2 GLY A 16 61.157 -16.529 0.653 1.00 0.00 H new ATOM 0 HA3 GLY A 16 60.863 -15.314 -0.575 1.00 0.00 H new ATOM 243 N GLU A 17 59.455 -15.599 2.241 1.00 0.00 N ATOM 244 CA GLU A 17 58.498 -15.019 3.190 1.00 0.00 C ATOM 245 C GLU A 17 59.227 -14.106 4.173 1.00 0.00 C ATOM 246 O GLU A 17 60.264 -14.475 4.724 1.00 0.00 O ATOM 247 CB GLU A 17 57.782 -16.133 3.959 1.00 0.00 C ATOM 248 CG GLU A 17 56.739 -15.523 4.900 1.00 0.00 C ATOM 249 CD GLU A 17 55.976 -16.632 5.618 1.00 0.00 C ATOM 250 OE1 GLU A 17 56.384 -17.774 5.504 1.00 0.00 O ATOM 251 OE2 GLU A 17 54.987 -16.322 6.262 1.00 0.00 O ATOM 0 H GLU A 17 60.219 -16.117 2.675 1.00 0.00 H new ATOM 0 HA GLU A 17 57.763 -14.436 2.636 1.00 0.00 H new ATOM 0 HB2 GLU A 17 57.300 -16.818 3.261 1.00 0.00 H new ATOM 0 HB3 GLU A 17 58.504 -16.716 4.530 1.00 0.00 H new ATOM 0 HG2 GLU A 17 57.228 -14.876 5.628 1.00 0.00 H new ATOM 0 HG3 GLU A 17 56.046 -14.900 4.334 1.00 0.00 H new ATOM 258 N ILE A 18 58.690 -12.901 4.369 1.00 0.00 N ATOM 259 CA ILE A 18 59.308 -11.917 5.268 1.00 0.00 C ATOM 260 C ILE A 18 58.585 -11.834 6.610 1.00 0.00 C ATOM 261 O ILE A 18 57.399 -11.512 6.671 1.00 0.00 O ATOM 262 CB ILE A 18 59.286 -10.543 4.584 1.00 0.00 C ATOM 263 CG1 ILE A 18 60.228 -10.555 3.362 1.00 0.00 C ATOM 264 CG2 ILE A 18 59.714 -9.442 5.564 1.00 0.00 C ATOM 265 CD1 ILE A 18 61.702 -10.376 3.784 1.00 0.00 C ATOM 0 H ILE A 18 57.832 -12.581 3.921 1.00 0.00 H new ATOM 0 HA ILE A 18 60.332 -12.232 5.469 1.00 0.00 H new ATOM 0 HB ILE A 18 58.268 -10.334 4.255 1.00 0.00 H new ATOM 0 HG12 ILE A 18 60.114 -11.495 2.822 1.00 0.00 H new ATOM 0 HG13 ILE A 18 59.945 -9.757 2.675 1.00 0.00 H new ATOM 0 HG21 ILE A 18 59.691 -8.476 5.059 1.00 0.00 H new ATOM 0 HG22 ILE A 18 59.030 -9.424 6.412 1.00 0.00 H new ATOM 0 HG23 ILE A 18 60.725 -9.643 5.918 1.00 0.00 H new ATOM 0 HD11 ILE A 18 62.338 -10.389 2.899 1.00 0.00 H new ATOM 0 HD12 ILE A 18 61.819 -9.424 4.301 1.00 0.00 H new ATOM 0 HD13 ILE A 18 61.991 -11.189 4.451 1.00 0.00 H new ATOM 277 N VAL A 19 59.327 -12.109 7.686 1.00 0.00 N ATOM 278 CA VAL A 19 58.777 -12.044 9.034 1.00 0.00 C ATOM 279 C VAL A 19 59.002 -10.657 9.645 1.00 0.00 C ATOM 280 O VAL A 19 58.107 -10.110 10.290 1.00 0.00 O ATOM 281 CB VAL A 19 59.438 -13.111 9.912 1.00 0.00 C ATOM 282 CG1 VAL A 19 60.899 -12.735 10.176 1.00 0.00 C ATOM 283 CG2 VAL A 19 58.687 -13.227 11.243 1.00 0.00 C ATOM 0 H VAL A 19 60.310 -12.378 7.645 1.00 0.00 H new ATOM 0 HA VAL A 19 57.704 -12.228 8.981 1.00 0.00 H new ATOM 0 HB VAL A 19 59.402 -14.070 9.395 1.00 0.00 H new ATOM 0 HG11 VAL A 19 61.364 -13.498 10.801 1.00 0.00 H new ATOM 0 HG12 VAL A 19 61.434 -12.667 9.229 1.00 0.00 H new ATOM 0 HG13 VAL A 19 60.941 -11.773 10.686 1.00 0.00 H new ATOM 0 HG21 VAL A 19 59.161 -13.987 11.863 1.00 0.00 H new ATOM 0 HG22 VAL A 19 58.713 -12.268 11.760 1.00 0.00 H new ATOM 0 HG23 VAL A 19 57.651 -13.508 11.053 1.00 0.00 H new ATOM 293 N ARG A 20 60.208 -10.098 9.461 1.00 0.00 N ATOM 294 CA ARG A 20 60.532 -8.780 10.029 1.00 0.00 C ATOM 295 C ARG A 20 61.456 -7.944 9.131 1.00 0.00 C ATOM 296 O ARG A 20 62.300 -8.475 8.408 1.00 0.00 O ATOM 297 CB ARG A 20 61.227 -8.971 11.384 1.00 0.00 C ATOM 298 CG ARG A 20 60.210 -9.381 12.450 1.00 0.00 C ATOM 299 CD ARG A 20 60.945 -9.680 13.760 1.00 0.00 C ATOM 300 NE ARG A 20 61.602 -10.979 13.698 1.00 0.00 N ATOM 301 CZ ARG A 20 62.345 -11.414 14.710 1.00 0.00 C ATOM 302 NH1 ARG A 20 62.526 -10.658 15.759 1.00 0.00 N ATOM 303 NH2 ARG A 20 62.901 -12.590 14.658 1.00 0.00 N ATOM 0 H ARG A 20 60.965 -10.530 8.931 1.00 0.00 H new ATOM 0 HA ARG A 20 59.589 -8.242 10.128 1.00 0.00 H new ATOM 0 HB2 ARG A 20 62.002 -9.733 11.299 1.00 0.00 H new ATOM 0 HB3 ARG A 20 61.721 -8.046 11.680 1.00 0.00 H new ATOM 0 HG2 ARG A 20 59.483 -8.583 12.601 1.00 0.00 H new ATOM 0 HG3 ARG A 20 59.656 -10.260 12.122 1.00 0.00 H new ATOM 0 HD2 ARG A 20 61.684 -8.902 13.954 1.00 0.00 H new ATOM 0 HD3 ARG A 20 60.239 -9.663 14.591 1.00 0.00 H new ATOM 0 HE ARG A 20 61.490 -11.561 12.868 1.00 0.00 H new ATOM 0 HH11 ARG A 20 62.097 -9.734 15.802 1.00 0.00 H new ATOM 0 HH12 ARG A 20 63.096 -10.992 16.536 1.00 0.00 H new ATOM 0 HH21 ARG A 20 62.767 -13.182 13.838 1.00 0.00 H new ATOM 0 HH22 ARG A 20 63.471 -12.920 15.437 1.00 0.00 H new ATOM 317 N TRP A 21 61.312 -6.617 9.251 1.00 0.00 N ATOM 318 CA TRP A 21 62.155 -5.653 8.526 1.00 0.00 C ATOM 319 C TRP A 21 62.906 -4.816 9.567 1.00 0.00 C ATOM 320 O TRP A 21 62.328 -4.465 10.597 1.00 0.00 O ATOM 321 CB TRP A 21 61.303 -4.700 7.660 1.00 0.00 C ATOM 322 CG TRP A 21 60.887 -5.337 6.369 1.00 0.00 C ATOM 323 CD1 TRP A 21 59.619 -5.687 6.061 1.00 0.00 C ATOM 324 CD2 TRP A 21 61.701 -5.662 5.189 1.00 0.00 C ATOM 325 NE1 TRP A 21 59.599 -6.215 4.779 1.00 0.00 N ATOM 326 CE2 TRP A 21 60.856 -6.222 4.204 1.00 0.00 C ATOM 327 CE3 TRP A 21 63.071 -5.531 4.889 1.00 0.00 C ATOM 328 CZ2 TRP A 21 61.350 -6.626 2.957 1.00 0.00 C ATOM 329 CZ3 TRP A 21 63.570 -5.940 3.638 1.00 0.00 C ATOM 330 CH2 TRP A 21 62.712 -6.486 2.676 1.00 0.00 C ATOM 0 H TRP A 21 60.611 -6.182 9.851 1.00 0.00 H new ATOM 0 HA TRP A 21 62.835 -6.198 7.871 1.00 0.00 H new ATOM 0 HB2 TRP A 21 60.416 -4.398 8.218 1.00 0.00 H new ATOM 0 HB3 TRP A 21 61.872 -3.794 7.451 1.00 0.00 H new ATOM 0 HD1 TRP A 21 58.761 -5.574 6.708 1.00 0.00 H new ATOM 0 HE1 TRP A 21 58.757 -6.557 4.316 1.00 0.00 H new ATOM 0 HE3 TRP A 21 63.743 -5.114 5.624 1.00 0.00 H new ATOM 0 HZ2 TRP A 21 60.683 -7.043 2.217 1.00 0.00 H new ATOM 0 HZ3 TRP A 21 64.622 -5.832 3.419 1.00 0.00 H new ATOM 0 HH2 TRP A 21 63.102 -6.798 1.718 1.00 0.00 H new ATOM 341 N ASP A 22 64.179 -4.493 9.316 1.00 0.00 N ATOM 342 CA ASP A 22 64.964 -3.688 10.276 1.00 0.00 C ATOM 343 C ASP A 22 65.386 -2.346 9.681 1.00 0.00 C ATOM 344 O ASP A 22 66.172 -1.616 10.288 1.00 0.00 O ATOM 345 CB ASP A 22 66.205 -4.460 10.729 1.00 0.00 C ATOM 346 CG ASP A 22 67.003 -3.623 11.722 1.00 0.00 C ATOM 347 OD1 ASP A 22 66.406 -3.158 12.680 1.00 0.00 O ATOM 348 OD2 ASP A 22 68.194 -3.459 11.515 1.00 0.00 O ATOM 0 H ASP A 22 64.686 -4.767 8.475 1.00 0.00 H new ATOM 0 HA ASP A 22 64.321 -3.491 11.134 1.00 0.00 H new ATOM 0 HB2 ASP A 22 65.909 -5.403 11.190 1.00 0.00 H new ATOM 0 HB3 ASP A 22 66.825 -4.707 9.867 1.00 0.00 H new ATOM 353 N VAL A 23 64.858 -2.006 8.506 1.00 0.00 N ATOM 354 CA VAL A 23 65.190 -0.728 7.863 1.00 0.00 C ATOM 355 C VAL A 23 63.921 -0.040 7.362 1.00 0.00 C ATOM 356 O VAL A 23 62.904 -0.692 7.128 1.00 0.00 O ATOM 357 CB VAL A 23 66.161 -0.967 6.694 1.00 0.00 C ATOM 358 CG1 VAL A 23 67.263 -1.934 7.144 1.00 0.00 C ATOM 359 CG2 VAL A 23 65.408 -1.566 5.488 1.00 0.00 C ATOM 0 H VAL A 23 64.205 -2.588 7.982 1.00 0.00 H new ATOM 0 HA VAL A 23 65.670 -0.079 8.596 1.00 0.00 H new ATOM 0 HB VAL A 23 66.602 -0.016 6.395 1.00 0.00 H new ATOM 0 HG11 VAL A 23 67.954 -2.107 6.319 1.00 0.00 H new ATOM 0 HG12 VAL A 23 67.804 -1.503 7.986 1.00 0.00 H new ATOM 0 HG13 VAL A 23 66.815 -2.881 7.447 1.00 0.00 H new ATOM 0 HG21 VAL A 23 66.107 -1.730 4.668 1.00 0.00 H new ATOM 0 HG22 VAL A 23 64.957 -2.516 5.776 1.00 0.00 H new ATOM 0 HG23 VAL A 23 64.628 -0.876 5.167 1.00 0.00 H new ATOM 369 N LYS A 24 63.986 1.284 7.203 1.00 0.00 N ATOM 370 CA LYS A 24 62.837 2.063 6.729 1.00 0.00 C ATOM 371 C LYS A 24 63.147 2.691 5.373 1.00 0.00 C ATOM 372 O LYS A 24 64.266 3.129 5.124 1.00 0.00 O ATOM 373 CB LYS A 24 62.511 3.170 7.733 1.00 0.00 C ATOM 374 CG LYS A 24 61.998 2.552 9.033 1.00 0.00 C ATOM 375 CD LYS A 24 61.677 3.660 10.038 1.00 0.00 C ATOM 376 CE LYS A 24 61.104 3.038 11.315 1.00 0.00 C ATOM 377 NZ LYS A 24 62.110 2.107 11.899 1.00 0.00 N ATOM 0 H LYS A 24 64.820 1.839 7.395 1.00 0.00 H new ATOM 0 HA LYS A 24 61.982 1.395 6.628 1.00 0.00 H new ATOM 0 HB2 LYS A 24 63.400 3.769 7.930 1.00 0.00 H new ATOM 0 HB3 LYS A 24 61.760 3.842 7.317 1.00 0.00 H new ATOM 0 HG2 LYS A 24 61.107 1.956 8.837 1.00 0.00 H new ATOM 0 HG3 LYS A 24 62.748 1.878 9.447 1.00 0.00 H new ATOM 0 HD2 LYS A 24 62.578 4.228 10.270 1.00 0.00 H new ATOM 0 HD3 LYS A 24 60.960 4.360 9.608 1.00 0.00 H new ATOM 0 HE2 LYS A 24 60.853 3.819 12.033 1.00 0.00 H new ATOM 0 HE3 LYS A 24 60.182 2.502 11.091 1.00 0.00 H new ATOM 0 HZ1 LYS A 24 61.892 1.946 12.903 1.00 0.00 H new ATOM 0 HZ2 LYS A 24 62.082 1.201 11.389 1.00 0.00 H new ATOM 0 HZ3 LYS A 24 63.059 2.523 11.813 1.00 0.00 H new ATOM 391 N GLU A 25 62.151 2.735 4.500 1.00 0.00 N ATOM 392 CA GLU A 25 62.347 3.315 3.177 1.00 0.00 C ATOM 393 C GLU A 25 62.831 4.761 3.281 1.00 0.00 C ATOM 394 O GLU A 25 62.292 5.552 4.056 1.00 0.00 O ATOM 395 CB GLU A 25 61.042 3.259 2.378 1.00 0.00 C ATOM 396 CG GLU A 25 59.908 3.903 3.178 1.00 0.00 C ATOM 397 CD GLU A 25 58.601 3.806 2.399 1.00 0.00 C ATOM 398 OE1 GLU A 25 58.650 3.430 1.240 1.00 0.00 O ATOM 399 OE2 GLU A 25 57.570 4.118 2.972 1.00 0.00 O ATOM 0 H GLU A 25 61.211 2.382 4.679 1.00 0.00 H new ATOM 0 HA GLU A 25 63.110 2.732 2.660 1.00 0.00 H new ATOM 0 HB2 GLU A 25 61.166 3.777 1.427 1.00 0.00 H new ATOM 0 HB3 GLU A 25 60.792 2.224 2.147 1.00 0.00 H new ATOM 0 HG2 GLU A 25 59.804 3.406 4.142 1.00 0.00 H new ATOM 0 HG3 GLU A 25 60.143 4.948 3.382 1.00 0.00 H new ATOM 406 N GLY A 26 63.844 5.101 2.483 1.00 0.00 N ATOM 407 CA GLY A 26 64.395 6.458 2.480 1.00 0.00 C ATOM 408 C GLY A 26 65.553 6.603 3.467 1.00 0.00 C ATOM 409 O GLY A 26 66.056 7.706 3.684 1.00 0.00 O ATOM 0 H GLY A 26 64.298 4.459 1.833 1.00 0.00 H new ATOM 0 HA2 GLY A 26 64.739 6.708 1.477 1.00 0.00 H new ATOM 0 HA3 GLY A 26 63.610 7.170 2.734 1.00 0.00 H new ATOM 413 N ASP A 27 65.976 5.489 4.070 1.00 0.00 N ATOM 414 CA ASP A 27 67.080 5.519 5.037 1.00 0.00 C ATOM 415 C ASP A 27 68.376 5.014 4.400 1.00 0.00 C ATOM 416 O ASP A 27 68.354 4.203 3.477 1.00 0.00 O ATOM 417 CB ASP A 27 66.739 4.654 6.259 1.00 0.00 C ATOM 418 CG ASP A 27 66.743 3.173 5.880 1.00 0.00 C ATOM 419 OD1 ASP A 27 66.859 2.882 4.702 1.00 0.00 O ATOM 420 OD2 ASP A 27 66.634 2.351 6.774 1.00 0.00 O ATOM 0 H ASP A 27 65.577 4.564 3.909 1.00 0.00 H new ATOM 0 HA ASP A 27 67.224 6.552 5.353 1.00 0.00 H new ATOM 0 HB2 ASP A 27 67.463 4.835 7.054 1.00 0.00 H new ATOM 0 HB3 ASP A 27 65.760 4.934 6.649 1.00 0.00 H new ATOM 425 N MET A 28 69.506 5.503 4.903 1.00 0.00 N ATOM 426 CA MET A 28 70.808 5.092 4.379 1.00 0.00 C ATOM 427 C MET A 28 71.225 3.756 4.991 1.00 0.00 C ATOM 428 O MET A 28 70.932 3.477 6.153 1.00 0.00 O ATOM 429 CB MET A 28 71.867 6.150 4.706 1.00 0.00 C ATOM 430 CG MET A 28 71.520 7.460 3.996 1.00 0.00 C ATOM 431 SD MET A 28 72.820 8.684 4.308 1.00 0.00 S ATOM 432 CE MET A 28 72.468 8.983 6.059 1.00 0.00 C ATOM 0 H MET A 28 69.549 6.178 5.666 1.00 0.00 H new ATOM 0 HA MET A 28 70.726 4.984 3.297 1.00 0.00 H new ATOM 0 HB2 MET A 28 71.915 6.310 5.783 1.00 0.00 H new ATOM 0 HB3 MET A 28 72.851 5.803 4.391 1.00 0.00 H new ATOM 0 HG2 MET A 28 71.418 7.288 2.924 1.00 0.00 H new ATOM 0 HG3 MET A 28 70.560 7.835 4.352 1.00 0.00 H new ATOM 0 HE1 MET A 28 72.870 9.953 6.350 1.00 0.00 H new ATOM 0 HE2 MET A 28 71.390 8.974 6.220 1.00 0.00 H new ATOM 0 HE3 MET A 28 72.932 8.202 6.662 1.00 0.00 H new ATOM 442 N VAL A 29 71.900 2.927 4.189 1.00 0.00 N ATOM 443 CA VAL A 29 72.352 1.606 4.644 1.00 0.00 C ATOM 444 C VAL A 29 73.866 1.480 4.491 1.00 0.00 C ATOM 445 O VAL A 29 74.429 1.832 3.455 1.00 0.00 O ATOM 446 CB VAL A 29 71.656 0.513 3.822 1.00 0.00 C ATOM 447 CG1 VAL A 29 72.281 -0.854 4.121 1.00 0.00 C ATOM 448 CG2 VAL A 29 70.169 0.482 4.184 1.00 0.00 C ATOM 0 H VAL A 29 72.146 3.145 3.223 1.00 0.00 H new ATOM 0 HA VAL A 29 72.096 1.489 5.697 1.00 0.00 H new ATOM 0 HB VAL A 29 71.777 0.732 2.761 1.00 0.00 H new ATOM 0 HG11 VAL A 29 71.778 -1.621 3.532 1.00 0.00 H new ATOM 0 HG12 VAL A 29 73.340 -0.834 3.863 1.00 0.00 H new ATOM 0 HG13 VAL A 29 72.170 -1.081 5.181 1.00 0.00 H new ATOM 0 HG21 VAL A 29 69.669 -0.293 3.603 1.00 0.00 H new ATOM 0 HG22 VAL A 29 70.058 0.267 5.247 1.00 0.00 H new ATOM 0 HG23 VAL A 29 69.720 1.450 3.960 1.00 0.00 H new ATOM 458 N GLU A 30 74.519 0.977 5.538 1.00 0.00 N ATOM 459 CA GLU A 30 75.972 0.798 5.537 1.00 0.00 C ATOM 460 C GLU A 30 76.320 -0.679 5.342 1.00 0.00 C ATOM 461 O GLU A 30 75.483 -1.555 5.563 1.00 0.00 O ATOM 462 CB GLU A 30 76.542 1.303 6.865 1.00 0.00 C ATOM 463 CG GLU A 30 76.366 2.820 6.944 1.00 0.00 C ATOM 464 CD GLU A 30 76.904 3.335 8.274 1.00 0.00 C ATOM 465 OE1 GLU A 30 77.422 2.529 9.032 1.00 0.00 O ATOM 466 OE2 GLU A 30 76.793 4.525 8.519 1.00 0.00 O ATOM 0 H GLU A 30 74.063 0.685 6.402 1.00 0.00 H new ATOM 0 HA GLU A 30 76.407 1.367 4.716 1.00 0.00 H new ATOM 0 HB2 GLU A 30 76.032 0.822 7.700 1.00 0.00 H new ATOM 0 HB3 GLU A 30 77.598 1.043 6.944 1.00 0.00 H new ATOM 0 HG2 GLU A 30 76.892 3.300 6.119 1.00 0.00 H new ATOM 0 HG3 GLU A 30 75.312 3.079 6.843 1.00 0.00 H new ATOM 473 N LYS A 31 77.551 -0.944 4.913 1.00 0.00 N ATOM 474 CA LYS A 31 77.996 -2.314 4.671 1.00 0.00 C ATOM 475 C LYS A 31 77.982 -3.137 5.958 1.00 0.00 C ATOM 476 O LYS A 31 78.472 -2.691 6.995 1.00 0.00 O ATOM 477 CB LYS A 31 79.415 -2.296 4.088 1.00 0.00 C ATOM 478 CG LYS A 31 79.891 -3.721 3.786 1.00 0.00 C ATOM 479 CD LYS A 31 81.286 -3.664 3.160 1.00 0.00 C ATOM 480 CE LYS A 31 81.766 -5.081 2.838 1.00 0.00 C ATOM 481 NZ LYS A 31 83.126 -5.010 2.233 1.00 0.00 N ATOM 0 H LYS A 31 78.256 -0.231 4.726 1.00 0.00 H new ATOM 0 HA LYS A 31 77.308 -2.777 3.964 1.00 0.00 H new ATOM 0 HB2 LYS A 31 79.432 -1.700 3.176 1.00 0.00 H new ATOM 0 HB3 LYS A 31 80.098 -1.820 4.792 1.00 0.00 H new ATOM 0 HG2 LYS A 31 79.914 -4.311 4.702 1.00 0.00 H new ATOM 0 HG3 LYS A 31 79.195 -4.214 3.107 1.00 0.00 H new ATOM 0 HD2 LYS A 31 81.263 -3.062 2.251 1.00 0.00 H new ATOM 0 HD3 LYS A 31 81.983 -3.181 3.845 1.00 0.00 H new ATOM 0 HE2 LYS A 31 81.789 -5.685 3.745 1.00 0.00 H new ATOM 0 HE3 LYS A 31 81.073 -5.565 2.150 1.00 0.00 H new ATOM 0 HZ1 LYS A 31 83.458 -5.970 2.012 1.00 0.00 H new ATOM 0 HZ2 LYS A 31 83.088 -4.447 1.359 1.00 0.00 H new ATOM 0 HZ3 LYS A 31 83.782 -4.563 2.905 1.00 0.00 H new ATOM 495 N ASP A 32 77.428 -4.345 5.869 1.00 0.00 N ATOM 496 CA ASP A 32 77.361 -5.246 7.015 1.00 0.00 C ATOM 497 C ASP A 32 76.612 -4.610 8.185 1.00 0.00 C ATOM 498 O ASP A 32 76.992 -4.796 9.342 1.00 0.00 O ATOM 499 CB ASP A 32 78.774 -5.636 7.464 1.00 0.00 C ATOM 500 CG ASP A 32 79.425 -6.527 6.411 1.00 0.00 C ATOM 501 OD1 ASP A 32 78.711 -7.015 5.551 1.00 0.00 O ATOM 502 OD2 ASP A 32 80.629 -6.706 6.479 1.00 0.00 O ATOM 0 H ASP A 32 77.019 -4.721 5.014 1.00 0.00 H new ATOM 0 HA ASP A 32 76.816 -6.136 6.703 1.00 0.00 H new ATOM 0 HB2 ASP A 32 79.376 -4.741 7.618 1.00 0.00 H new ATOM 0 HB3 ASP A 32 78.730 -6.159 8.419 1.00 0.00 H new ATOM 507 N GLN A 33 75.549 -3.855 7.888 1.00 0.00 N ATOM 508 CA GLN A 33 74.764 -3.202 8.943 1.00 0.00 C ATOM 509 C GLN A 33 73.267 -3.286 8.635 1.00 0.00 C ATOM 510 O GLN A 33 72.680 -2.330 8.133 1.00 0.00 O ATOM 511 CB GLN A 33 75.172 -1.733 9.072 1.00 0.00 C ATOM 512 CG GLN A 33 74.424 -1.107 10.251 1.00 0.00 C ATOM 513 CD GLN A 33 74.933 0.305 10.515 1.00 0.00 C ATOM 514 OE1 GLN A 33 75.990 0.691 10.020 1.00 0.00 O ATOM 515 NE2 GLN A 33 74.235 1.103 11.277 1.00 0.00 N ATOM 0 H GLN A 33 75.215 -3.682 6.940 1.00 0.00 H new ATOM 0 HA GLN A 33 74.963 -3.719 9.882 1.00 0.00 H new ATOM 0 HB2 GLN A 33 76.248 -1.654 9.225 1.00 0.00 H new ATOM 0 HB3 GLN A 33 74.940 -1.196 8.152 1.00 0.00 H new ATOM 0 HG2 GLN A 33 73.355 -1.081 10.039 1.00 0.00 H new ATOM 0 HG3 GLN A 33 74.558 -1.721 11.142 1.00 0.00 H new ATOM 0 HE21 GLN A 33 73.358 0.780 11.686 1.00 0.00 H new ATOM 0 HE22 GLN A 33 74.566 2.050 11.463 1.00 0.00 H new ATOM 524 N ASP A 34 72.659 -4.432 8.953 1.00 0.00 N ATOM 525 CA ASP A 34 71.232 -4.630 8.711 1.00 0.00 C ATOM 526 C ASP A 34 70.811 -5.998 9.223 1.00 0.00 C ATOM 527 O ASP A 34 71.463 -7.001 8.935 1.00 0.00 O ATOM 528 CB ASP A 34 70.924 -4.550 7.213 1.00 0.00 C ATOM 529 CG ASP A 34 69.421 -4.676 6.992 1.00 0.00 C ATOM 530 OD1 ASP A 34 68.720 -4.919 7.960 1.00 0.00 O ATOM 531 OD2 ASP A 34 68.992 -4.532 5.858 1.00 0.00 O ATOM 0 H ASP A 34 73.131 -5.231 9.376 1.00 0.00 H new ATOM 0 HA ASP A 34 70.683 -3.847 9.234 1.00 0.00 H new ATOM 0 HB2 ASP A 34 71.283 -3.604 6.808 1.00 0.00 H new ATOM 0 HB3 ASP A 34 71.448 -5.344 6.681 1.00 0.00 H new ATOM 536 N LEU A 35 69.712 -6.038 9.976 1.00 0.00 N ATOM 537 CA LEU A 35 69.200 -7.301 10.520 1.00 0.00 C ATOM 538 C LEU A 35 67.888 -7.666 9.841 1.00 0.00 C ATOM 539 O LEU A 35 66.823 -7.193 10.223 1.00 0.00 O ATOM 540 CB LEU A 35 68.986 -7.180 12.037 1.00 0.00 C ATOM 541 CG LEU A 35 68.597 -8.544 12.634 1.00 0.00 C ATOM 542 CD1 LEU A 35 69.744 -9.560 12.462 1.00 0.00 C ATOM 543 CD2 LEU A 35 68.286 -8.369 14.125 1.00 0.00 C ATOM 0 H LEU A 35 69.160 -5.217 10.224 1.00 0.00 H new ATOM 0 HA LEU A 35 69.932 -8.086 10.329 1.00 0.00 H new ATOM 0 HB2 LEU A 35 69.897 -6.815 12.511 1.00 0.00 H new ATOM 0 HB3 LEU A 35 68.204 -6.449 12.243 1.00 0.00 H new ATOM 0 HG LEU A 35 67.719 -8.922 12.111 1.00 0.00 H new ATOM 0 HD11 LEU A 35 69.449 -10.518 12.891 1.00 0.00 H new ATOM 0 HD12 LEU A 35 69.960 -9.688 11.401 1.00 0.00 H new ATOM 0 HD13 LEU A 35 70.635 -9.193 12.972 1.00 0.00 H new ATOM 0 HD21 LEU A 35 68.010 -9.332 14.554 1.00 0.00 H new ATOM 0 HD22 LEU A 35 69.167 -7.983 14.638 1.00 0.00 H new ATOM 0 HD23 LEU A 35 67.460 -7.668 14.245 1.00 0.00 H new ATOM 555 N VAL A 36 67.975 -8.521 8.830 1.00 0.00 N ATOM 556 CA VAL A 36 66.793 -8.967 8.088 1.00 0.00 C ATOM 557 C VAL A 36 66.642 -10.473 8.258 1.00 0.00 C ATOM 558 O VAL A 36 67.562 -11.232 7.953 1.00 0.00 O ATOM 559 CB VAL A 36 66.941 -8.587 6.585 1.00 0.00 C ATOM 560 CG1 VAL A 36 68.430 -8.530 6.218 1.00 0.00 C ATOM 561 CG2 VAL A 36 66.249 -9.635 5.686 1.00 0.00 C ATOM 0 H VAL A 36 68.853 -8.923 8.501 1.00 0.00 H new ATOM 0 HA VAL A 36 65.899 -8.477 8.474 1.00 0.00 H new ATOM 0 HB VAL A 36 66.472 -7.616 6.427 1.00 0.00 H new ATOM 0 HG11 VAL A 36 68.536 -8.264 5.166 1.00 0.00 H new ATOM 0 HG12 VAL A 36 68.928 -7.781 6.833 1.00 0.00 H new ATOM 0 HG13 VAL A 36 68.886 -9.505 6.393 1.00 0.00 H new ATOM 0 HG21 VAL A 36 66.364 -9.350 4.640 1.00 0.00 H new ATOM 0 HG22 VAL A 36 66.705 -10.612 5.849 1.00 0.00 H new ATOM 0 HG23 VAL A 36 65.189 -9.684 5.934 1.00 0.00 H new ATOM 571 N GLU A 37 65.480 -10.907 8.743 1.00 0.00 N ATOM 572 CA GLU A 37 65.233 -12.336 8.943 1.00 0.00 C ATOM 573 C GLU A 37 64.286 -12.869 7.880 1.00 0.00 C ATOM 574 O GLU A 37 63.150 -12.413 7.756 1.00 0.00 O ATOM 575 CB GLU A 37 64.639 -12.574 10.330 1.00 0.00 C ATOM 576 CG GLU A 37 64.491 -14.078 10.567 1.00 0.00 C ATOM 577 CD GLU A 37 64.041 -14.328 12.001 1.00 0.00 C ATOM 578 OE1 GLU A 37 64.186 -13.424 12.805 1.00 0.00 O ATOM 579 OE2 GLU A 37 63.563 -15.416 12.276 1.00 0.00 O ATOM 0 H GLU A 37 64.703 -10.299 9.002 1.00 0.00 H new ATOM 0 HA GLU A 37 66.183 -12.865 8.862 1.00 0.00 H new ATOM 0 HB2 GLU A 37 65.282 -12.136 11.093 1.00 0.00 H new ATOM 0 HB3 GLU A 37 63.669 -12.084 10.411 1.00 0.00 H new ATOM 0 HG2 GLU A 37 63.766 -14.497 9.869 1.00 0.00 H new ATOM 0 HG3 GLU A 37 65.440 -14.581 10.380 1.00 0.00 H new ATOM 586 N VAL A 38 64.762 -13.849 7.110 1.00 0.00 N ATOM 587 CA VAL A 38 63.956 -14.456 6.056 1.00 0.00 C ATOM 588 C VAL A 38 63.696 -15.922 6.388 1.00 0.00 C ATOM 589 O VAL A 38 64.613 -16.664 6.764 1.00 0.00 O ATOM 590 CB VAL A 38 64.680 -14.326 4.710 1.00 0.00 C ATOM 591 CG1 VAL A 38 64.895 -12.846 4.385 1.00 0.00 C ATOM 592 CG2 VAL A 38 66.040 -15.019 4.776 1.00 0.00 C ATOM 0 H VAL A 38 65.701 -14.237 7.198 1.00 0.00 H new ATOM 0 HA VAL A 38 62.998 -13.940 5.986 1.00 0.00 H new ATOM 0 HB VAL A 38 64.070 -14.794 3.937 1.00 0.00 H new ATOM 0 HG11 VAL A 38 65.410 -12.755 3.428 1.00 0.00 H new ATOM 0 HG12 VAL A 38 63.930 -12.342 4.328 1.00 0.00 H new ATOM 0 HG13 VAL A 38 65.499 -12.386 5.167 1.00 0.00 H new ATOM 0 HG21 VAL A 38 66.545 -14.921 3.815 1.00 0.00 H new ATOM 0 HG22 VAL A 38 66.647 -14.556 5.554 1.00 0.00 H new ATOM 0 HG23 VAL A 38 65.899 -16.075 5.006 1.00 0.00 H new ATOM 602 N MET A 39 62.426 -16.319 6.278 1.00 0.00 N ATOM 603 CA MET A 39 62.004 -17.687 6.592 1.00 0.00 C ATOM 604 C MET A 39 61.503 -18.390 5.334 1.00 0.00 C ATOM 605 O MET A 39 60.897 -17.766 4.464 1.00 0.00 O ATOM 606 CB MET A 39 60.873 -17.637 7.624 1.00 0.00 C ATOM 607 CG MET A 39 60.574 -19.044 8.149 1.00 0.00 C ATOM 608 SD MET A 39 61.926 -19.576 9.235 1.00 0.00 S ATOM 609 CE MET A 39 61.005 -19.598 10.796 1.00 0.00 C ATOM 0 H MET A 39 61.668 -15.709 5.972 1.00 0.00 H new ATOM 0 HA MET A 39 62.855 -18.239 6.991 1.00 0.00 H new ATOM 0 HB2 MET A 39 61.154 -16.984 8.451 1.00 0.00 H new ATOM 0 HB3 MET A 39 59.977 -17.211 7.172 1.00 0.00 H new ATOM 0 HG2 MET A 39 59.630 -19.049 8.694 1.00 0.00 H new ATOM 0 HG3 MET A 39 60.465 -19.740 7.317 1.00 0.00 H new ATOM 0 HE1 MET A 39 61.668 -19.905 11.605 1.00 0.00 H new ATOM 0 HE2 MET A 39 60.617 -18.601 11.003 1.00 0.00 H new ATOM 0 HE3 MET A 39 60.176 -20.301 10.719 1.00 0.00 H new ATOM 619 N THR A 40 61.754 -19.696 5.246 1.00 0.00 N ATOM 620 CA THR A 40 61.318 -20.491 4.093 1.00 0.00 C ATOM 621 C THR A 40 60.292 -21.533 4.534 1.00 0.00 C ATOM 622 O THR A 40 59.341 -21.203 5.242 1.00 0.00 O ATOM 623 CB THR A 40 62.526 -21.172 3.443 1.00 0.00 C ATOM 624 OG1 THR A 40 62.084 -22.095 2.458 1.00 0.00 O ATOM 625 CG2 THR A 40 63.334 -21.902 4.513 1.00 0.00 C ATOM 0 H THR A 40 62.256 -20.227 5.957 1.00 0.00 H new ATOM 0 HA THR A 40 60.851 -19.832 3.361 1.00 0.00 H new ATOM 0 HB THR A 40 63.155 -20.419 2.967 1.00 0.00 H new ATOM 0 HG1 THR A 40 62.860 -22.527 2.043 1.00 0.00 H new ATOM 0 HG21 THR A 40 64.194 -22.387 4.052 1.00 0.00 H new ATOM 0 HG22 THR A 40 63.678 -21.187 5.260 1.00 0.00 H new ATOM 0 HG23 THR A 40 62.707 -22.654 4.992 1.00 0.00 H new ATOM 633 N ASP A 41 60.484 -22.784 4.125 1.00 0.00 N ATOM 634 CA ASP A 41 59.548 -23.848 4.506 1.00 0.00 C ATOM 635 C ASP A 41 59.584 -24.075 6.014 1.00 0.00 C ATOM 636 O ASP A 41 58.541 -24.200 6.657 1.00 0.00 O ATOM 637 CB ASP A 41 59.909 -25.143 3.775 1.00 0.00 C ATOM 638 CG ASP A 41 58.911 -26.241 4.123 1.00 0.00 C ATOM 639 OD1 ASP A 41 58.094 -26.020 5.003 1.00 0.00 O ATOM 640 OD2 ASP A 41 58.976 -27.289 3.501 1.00 0.00 O ATOM 0 H ASP A 41 61.263 -23.087 3.540 1.00 0.00 H new ATOM 0 HA ASP A 41 58.540 -23.545 4.224 1.00 0.00 H new ATOM 0 HB2 ASP A 41 59.912 -24.972 2.698 1.00 0.00 H new ATOM 0 HB3 ASP A 41 60.916 -25.456 4.051 1.00 0.00 H new ATOM 645 N LYS A 42 60.791 -24.104 6.573 1.00 0.00 N ATOM 646 CA LYS A 42 60.950 -24.296 8.016 1.00 0.00 C ATOM 647 C LYS A 42 62.413 -24.122 8.429 1.00 0.00 C ATOM 648 O LYS A 42 62.991 -24.993 9.079 1.00 0.00 O ATOM 649 CB LYS A 42 60.458 -25.692 8.429 1.00 0.00 C ATOM 650 CG LYS A 42 60.196 -25.722 9.937 1.00 0.00 C ATOM 651 CD LYS A 42 59.605 -27.076 10.330 1.00 0.00 C ATOM 652 CE LYS A 42 59.324 -27.100 11.833 1.00 0.00 C ATOM 653 NZ LYS A 42 58.756 -28.425 12.208 1.00 0.00 N ATOM 0 H LYS A 42 61.665 -23.999 6.058 1.00 0.00 H new ATOM 0 HA LYS A 42 60.350 -23.541 8.524 1.00 0.00 H new ATOM 0 HB2 LYS A 42 59.546 -25.942 7.887 1.00 0.00 H new ATOM 0 HB3 LYS A 42 61.202 -26.443 8.164 1.00 0.00 H new ATOM 0 HG2 LYS A 42 61.124 -25.548 10.481 1.00 0.00 H new ATOM 0 HG3 LYS A 42 59.510 -24.921 10.213 1.00 0.00 H new ATOM 0 HD2 LYS A 42 58.684 -27.256 9.775 1.00 0.00 H new ATOM 0 HD3 LYS A 42 60.297 -27.876 10.067 1.00 0.00 H new ATOM 0 HE2 LYS A 42 60.243 -26.915 12.389 1.00 0.00 H new ATOM 0 HE3 LYS A 42 58.627 -26.305 12.097 1.00 0.00 H new ATOM 0 HZ1 LYS A 42 58.564 -28.444 13.230 1.00 0.00 H new ATOM 0 HZ2 LYS A 42 57.870 -28.583 11.686 1.00 0.00 H new ATOM 0 HZ3 LYS A 42 59.437 -29.174 11.970 1.00 0.00 H new ATOM 667 N VAL A 43 63.005 -22.984 8.062 1.00 0.00 N ATOM 668 CA VAL A 43 64.398 -22.703 8.412 1.00 0.00 C ATOM 669 C VAL A 43 64.583 -21.215 8.688 1.00 0.00 C ATOM 670 O VAL A 43 64.128 -20.371 7.917 1.00 0.00 O ATOM 671 CB VAL A 43 65.327 -23.123 7.271 1.00 0.00 C ATOM 672 CG1 VAL A 43 66.774 -23.170 7.772 1.00 0.00 C ATOM 673 CG2 VAL A 43 64.922 -24.504 6.751 1.00 0.00 C ATOM 0 H VAL A 43 62.546 -22.247 7.527 1.00 0.00 H new ATOM 0 HA VAL A 43 64.647 -23.271 9.308 1.00 0.00 H new ATOM 0 HB VAL A 43 65.247 -22.396 6.462 1.00 0.00 H new ATOM 0 HG11 VAL A 43 67.432 -23.470 6.956 1.00 0.00 H new ATOM 0 HG12 VAL A 43 67.067 -22.183 8.131 1.00 0.00 H new ATOM 0 HG13 VAL A 43 66.854 -23.891 8.586 1.00 0.00 H new ATOM 0 HG21 VAL A 43 65.588 -24.797 5.939 1.00 0.00 H new ATOM 0 HG22 VAL A 43 64.993 -25.232 7.559 1.00 0.00 H new ATOM 0 HG23 VAL A 43 63.896 -24.468 6.384 1.00 0.00 H new ATOM 683 N THR A 44 65.270 -20.904 9.781 1.00 0.00 N ATOM 684 CA THR A 44 65.532 -19.511 10.155 1.00 0.00 C ATOM 685 C THR A 44 66.960 -19.146 9.763 1.00 0.00 C ATOM 686 O THR A 44 67.916 -19.765 10.228 1.00 0.00 O ATOM 687 CB THR A 44 65.353 -19.340 11.669 1.00 0.00 C ATOM 688 OG1 THR A 44 64.192 -20.045 12.083 1.00 0.00 O ATOM 689 CG2 THR A 44 65.191 -17.858 12.022 1.00 0.00 C ATOM 0 H THR A 44 65.657 -21.593 10.426 1.00 0.00 H new ATOM 0 HA THR A 44 64.832 -18.856 9.636 1.00 0.00 H new ATOM 0 HB THR A 44 66.234 -19.733 12.177 1.00 0.00 H new ATOM 0 HG1 THR A 44 64.073 -19.941 13.050 1.00 0.00 H new ATOM 0 HG21 THR A 44 65.065 -17.752 13.100 1.00 0.00 H new ATOM 0 HG22 THR A 44 66.078 -17.309 11.705 1.00 0.00 H new ATOM 0 HG23 THR A 44 64.315 -17.456 11.513 1.00 0.00 H new ATOM 697 N VAL A 45 67.098 -18.150 8.891 1.00 0.00 N ATOM 698 CA VAL A 45 68.424 -17.720 8.426 1.00 0.00 C ATOM 699 C VAL A 45 68.515 -16.195 8.401 1.00 0.00 C ATOM 700 O VAL A 45 67.498 -15.506 8.338 1.00 0.00 O ATOM 701 CB VAL A 45 68.686 -18.277 7.022 1.00 0.00 C ATOM 702 CG1 VAL A 45 68.591 -19.804 7.048 1.00 0.00 C ATOM 703 CG2 VAL A 45 67.651 -17.712 6.047 1.00 0.00 C ATOM 0 H VAL A 45 66.319 -17.627 8.492 1.00 0.00 H new ATOM 0 HA VAL A 45 69.176 -18.103 9.115 1.00 0.00 H new ATOM 0 HB VAL A 45 69.685 -17.986 6.697 1.00 0.00 H new ATOM 0 HG11 VAL A 45 68.778 -20.197 6.049 1.00 0.00 H new ATOM 0 HG12 VAL A 45 69.333 -20.203 7.739 1.00 0.00 H new ATOM 0 HG13 VAL A 45 67.594 -20.101 7.374 1.00 0.00 H new ATOM 0 HG21 VAL A 45 67.837 -18.108 5.049 1.00 0.00 H new ATOM 0 HG22 VAL A 45 66.651 -18.000 6.371 1.00 0.00 H new ATOM 0 HG23 VAL A 45 67.726 -16.625 6.026 1.00 0.00 H new ATOM 713 N LYS A 46 69.744 -15.675 8.451 1.00 0.00 N ATOM 714 CA LYS A 46 69.975 -14.228 8.429 1.00 0.00 C ATOM 715 C LYS A 46 70.939 -13.864 7.302 1.00 0.00 C ATOM 716 O LYS A 46 71.956 -14.530 7.104 1.00 0.00 O ATOM 717 CB LYS A 46 70.563 -13.776 9.769 1.00 0.00 C ATOM 718 CG LYS A 46 69.513 -13.942 10.871 1.00 0.00 C ATOM 719 CD LYS A 46 70.092 -13.463 12.204 1.00 0.00 C ATOM 720 CE LYS A 46 69.012 -13.531 13.286 1.00 0.00 C ATOM 721 NZ LYS A 46 68.593 -14.948 13.485 1.00 0.00 N ATOM 0 H LYS A 46 70.595 -16.235 8.507 1.00 0.00 H new ATOM 0 HA LYS A 46 69.023 -13.724 8.260 1.00 0.00 H new ATOM 0 HB2 LYS A 46 71.450 -14.364 10.006 1.00 0.00 H new ATOM 0 HB3 LYS A 46 70.878 -12.734 9.707 1.00 0.00 H new ATOM 0 HG2 LYS A 46 68.618 -13.370 10.625 1.00 0.00 H new ATOM 0 HG3 LYS A 46 69.213 -14.987 10.947 1.00 0.00 H new ATOM 0 HD2 LYS A 46 70.943 -14.083 12.486 1.00 0.00 H new ATOM 0 HD3 LYS A 46 70.460 -12.442 12.106 1.00 0.00 H new ATOM 0 HE2 LYS A 46 69.393 -13.119 14.221 1.00 0.00 H new ATOM 0 HE3 LYS A 46 68.154 -12.925 12.996 1.00 0.00 H new ATOM 0 HZ1 LYS A 46 68.075 -15.034 14.383 1.00 0.00 H new ATOM 0 HZ2 LYS A 46 67.977 -15.241 12.700 1.00 0.00 H new ATOM 0 HZ3 LYS A 46 69.435 -15.558 13.511 1.00 0.00 H new ATOM 735 N ILE A 47 70.608 -12.803 6.565 1.00 0.00 N ATOM 736 CA ILE A 47 71.439 -12.339 5.447 1.00 0.00 C ATOM 737 C ILE A 47 71.631 -10.816 5.515 1.00 0.00 C ATOM 738 O ILE A 47 70.856 -10.063 4.926 1.00 0.00 O ATOM 739 CB ILE A 47 70.765 -12.704 4.121 1.00 0.00 C ATOM 740 CG1 ILE A 47 70.680 -14.226 3.988 1.00 0.00 C ATOM 741 CG2 ILE A 47 71.574 -12.142 2.950 1.00 0.00 C ATOM 742 CD1 ILE A 47 69.732 -14.588 2.844 1.00 0.00 C ATOM 0 H ILE A 47 69.768 -12.246 6.721 1.00 0.00 H new ATOM 0 HA ILE A 47 72.414 -12.822 5.513 1.00 0.00 H new ATOM 0 HB ILE A 47 69.762 -12.277 4.106 1.00 0.00 H new ATOM 0 HG12 ILE A 47 71.670 -14.641 3.798 1.00 0.00 H new ATOM 0 HG13 ILE A 47 70.324 -14.664 4.921 1.00 0.00 H new ATOM 0 HG21 ILE A 47 71.087 -12.407 2.011 1.00 0.00 H new ATOM 0 HG22 ILE A 47 71.632 -11.057 3.035 1.00 0.00 H new ATOM 0 HG23 ILE A 47 72.580 -12.562 2.968 1.00 0.00 H new ATOM 0 HD11 ILE A 47 69.672 -15.672 2.750 1.00 0.00 H new ATOM 0 HD12 ILE A 47 68.740 -14.187 3.052 1.00 0.00 H new ATOM 0 HD13 ILE A 47 70.107 -14.163 1.913 1.00 0.00 H new ATOM 754 N PRO A 48 72.639 -10.346 6.216 1.00 0.00 N ATOM 755 CA PRO A 48 72.913 -8.876 6.345 1.00 0.00 C ATOM 756 C PRO A 48 73.129 -8.201 4.981 1.00 0.00 C ATOM 757 O PRO A 48 73.733 -8.786 4.084 1.00 0.00 O ATOM 758 CB PRO A 48 74.189 -8.816 7.211 1.00 0.00 C ATOM 759 CG PRO A 48 74.257 -10.134 7.914 1.00 0.00 C ATOM 760 CD PRO A 48 73.618 -11.148 6.971 1.00 0.00 C ATOM 0 HA PRO A 48 72.073 -8.339 6.786 1.00 0.00 H new ATOM 0 HB2 PRO A 48 75.074 -8.653 6.595 1.00 0.00 H new ATOM 0 HB3 PRO A 48 74.141 -7.993 7.924 1.00 0.00 H new ATOM 0 HG2 PRO A 48 75.289 -10.405 8.136 1.00 0.00 H new ATOM 0 HG3 PRO A 48 73.725 -10.097 8.865 1.00 0.00 H new ATOM 0 HD2 PRO A 48 74.357 -11.604 6.312 1.00 0.00 H new ATOM 0 HD3 PRO A 48 73.136 -11.958 7.519 1.00 0.00 H new ATOM 768 N SER A 49 72.630 -6.968 4.846 1.00 0.00 N ATOM 769 CA SER A 49 72.756 -6.207 3.601 1.00 0.00 C ATOM 770 C SER A 49 74.157 -6.370 2.989 1.00 0.00 C ATOM 771 O SER A 49 75.107 -5.756 3.475 1.00 0.00 O ATOM 772 CB SER A 49 72.510 -4.725 3.887 1.00 0.00 C ATOM 773 OG SER A 49 71.164 -4.546 4.309 1.00 0.00 O ATOM 0 H SER A 49 72.133 -6.475 5.588 1.00 0.00 H new ATOM 0 HA SER A 49 72.020 -6.588 2.893 1.00 0.00 H new ATOM 0 HB2 SER A 49 73.195 -4.373 4.658 1.00 0.00 H new ATOM 0 HB3 SER A 49 72.705 -4.133 2.993 1.00 0.00 H new ATOM 0 HG SER A 49 71.003 -3.597 4.495 1.00 0.00 H new ATOM 779 N PRO A 50 74.335 -7.182 1.959 1.00 0.00 N ATOM 780 CA PRO A 50 75.690 -7.376 1.353 1.00 0.00 C ATOM 781 C PRO A 50 76.245 -6.138 0.620 1.00 0.00 C ATOM 782 O PRO A 50 77.460 -6.019 0.456 1.00 0.00 O ATOM 783 CB PRO A 50 75.504 -8.565 0.388 1.00 0.00 C ATOM 784 CG PRO A 50 74.043 -8.592 0.052 1.00 0.00 C ATOM 785 CD PRO A 50 73.299 -7.988 1.251 1.00 0.00 C ATOM 0 HA PRO A 50 76.433 -7.556 2.130 1.00 0.00 H new ATOM 0 HB2 PRO A 50 76.110 -8.439 -0.509 1.00 0.00 H new ATOM 0 HB3 PRO A 50 75.816 -9.500 0.854 1.00 0.00 H new ATOM 0 HG2 PRO A 50 73.844 -8.020 -0.854 1.00 0.00 H new ATOM 0 HG3 PRO A 50 73.709 -9.612 -0.136 1.00 0.00 H new ATOM 0 HD2 PRO A 50 72.463 -7.367 0.929 1.00 0.00 H new ATOM 0 HD3 PRO A 50 72.889 -8.764 1.897 1.00 0.00 H new ATOM 793 N VAL A 51 75.373 -5.221 0.172 1.00 0.00 N ATOM 794 CA VAL A 51 75.830 -4.021 -0.551 1.00 0.00 C ATOM 795 C VAL A 51 75.215 -2.742 0.043 1.00 0.00 C ATOM 796 O VAL A 51 73.995 -2.638 0.170 1.00 0.00 O ATOM 797 CB VAL A 51 75.439 -4.155 -2.038 1.00 0.00 C ATOM 798 CG1 VAL A 51 76.310 -3.239 -2.908 1.00 0.00 C ATOM 799 CG2 VAL A 51 75.645 -5.611 -2.477 1.00 0.00 C ATOM 0 H VAL A 51 74.362 -5.284 0.294 1.00 0.00 H new ATOM 0 HA VAL A 51 76.913 -3.943 -0.453 1.00 0.00 H new ATOM 0 HB VAL A 51 74.395 -3.865 -2.159 1.00 0.00 H new ATOM 0 HG11 VAL A 51 76.020 -3.347 -3.953 1.00 0.00 H new ATOM 0 HG12 VAL A 51 76.171 -2.203 -2.598 1.00 0.00 H new ATOM 0 HG13 VAL A 51 77.358 -3.515 -2.792 1.00 0.00 H new ATOM 0 HG21 VAL A 51 75.371 -5.717 -3.527 1.00 0.00 H new ATOM 0 HG22 VAL A 51 76.691 -5.886 -2.345 1.00 0.00 H new ATOM 0 HG23 VAL A 51 75.019 -6.266 -1.871 1.00 0.00 H new ATOM 809 N ARG A 52 76.067 -1.767 0.400 1.00 0.00 N ATOM 810 CA ARG A 52 75.584 -0.507 0.968 1.00 0.00 C ATOM 811 C ARG A 52 75.193 0.475 -0.137 1.00 0.00 C ATOM 812 O ARG A 52 75.822 0.508 -1.196 1.00 0.00 O ATOM 813 CB ARG A 52 76.676 0.127 1.846 1.00 0.00 C ATOM 814 CG ARG A 52 77.912 0.476 1.004 1.00 0.00 C ATOM 815 CD ARG A 52 78.944 1.180 1.889 1.00 0.00 C ATOM 816 NE ARG A 52 80.114 1.559 1.100 1.00 0.00 N ATOM 817 CZ ARG A 52 81.098 0.694 0.862 1.00 0.00 C ATOM 818 NH1 ARG A 52 81.030 -0.521 1.333 1.00 0.00 N ATOM 819 NH2 ARG A 52 82.127 1.066 0.151 1.00 0.00 N ATOM 0 H ARG A 52 77.081 -1.829 0.305 1.00 0.00 H new ATOM 0 HA ARG A 52 74.704 -0.724 1.574 1.00 0.00 H new ATOM 0 HB2 ARG A 52 76.289 1.027 2.324 1.00 0.00 H new ATOM 0 HB3 ARG A 52 76.955 -0.562 2.643 1.00 0.00 H new ATOM 0 HG2 ARG A 52 78.341 -0.429 0.575 1.00 0.00 H new ATOM 0 HG3 ARG A 52 77.629 1.121 0.172 1.00 0.00 H new ATOM 0 HD2 ARG A 52 78.500 2.066 2.343 1.00 0.00 H new ATOM 0 HD3 ARG A 52 79.244 0.521 2.704 1.00 0.00 H new ATOM 0 HE ARG A 52 80.178 2.505 0.724 1.00 0.00 H new ATOM 0 HH11 ARG A 52 80.222 -0.810 1.885 1.00 0.00 H new ATOM 0 HH12 ARG A 52 81.785 -1.182 1.150 1.00 0.00 H new ATOM 0 HH21 ARG A 52 82.175 2.015 -0.219 1.00 0.00 H new ATOM 0 HH22 ARG A 52 82.884 0.408 -0.034 1.00 0.00 H new ATOM 833 N GLY A 53 74.169 1.286 0.116 1.00 0.00 N ATOM 834 CA GLY A 53 73.741 2.267 -0.875 1.00 0.00 C ATOM 835 C GLY A 53 72.524 3.061 -0.396 1.00 0.00 C ATOM 836 O GLY A 53 72.391 3.346 0.795 1.00 0.00 O ATOM 0 H GLY A 53 73.630 1.284 0.982 1.00 0.00 H new ATOM 0 HA2 GLY A 53 74.562 2.952 -1.087 1.00 0.00 H new ATOM 0 HA3 GLY A 53 73.500 1.759 -1.809 1.00 0.00 H new ATOM 840 N LYS A 54 71.647 3.425 -1.337 1.00 0.00 N ATOM 841 CA LYS A 54 70.443 4.203 -1.026 1.00 0.00 C ATOM 842 C LYS A 54 69.187 3.385 -1.329 1.00 0.00 C ATOM 843 O LYS A 54 69.096 2.738 -2.373 1.00 0.00 O ATOM 844 CB LYS A 54 70.439 5.476 -1.882 1.00 0.00 C ATOM 845 CG LYS A 54 69.399 6.467 -1.355 1.00 0.00 C ATOM 846 CD LYS A 54 69.500 7.775 -2.142 1.00 0.00 C ATOM 847 CE LYS A 54 68.512 8.794 -1.569 1.00 0.00 C ATOM 848 NZ LYS A 54 67.120 8.320 -1.812 1.00 0.00 N ATOM 0 H LYS A 54 71.749 3.192 -2.325 1.00 0.00 H new ATOM 0 HA LYS A 54 70.446 4.461 0.033 1.00 0.00 H new ATOM 0 HB2 LYS A 54 71.428 5.935 -1.869 1.00 0.00 H new ATOM 0 HB3 LYS A 54 70.218 5.224 -2.919 1.00 0.00 H new ATOM 0 HG2 LYS A 54 68.398 6.047 -1.453 1.00 0.00 H new ATOM 0 HG3 LYS A 54 69.564 6.654 -0.294 1.00 0.00 H new ATOM 0 HD2 LYS A 54 70.516 8.167 -2.087 1.00 0.00 H new ATOM 0 HD3 LYS A 54 69.284 7.596 -3.195 1.00 0.00 H new ATOM 0 HE2 LYS A 54 68.683 8.923 -0.500 1.00 0.00 H new ATOM 0 HE3 LYS A 54 68.664 9.767 -2.036 1.00 0.00 H new ATOM 0 HZ1 LYS A 54 66.458 9.113 -1.695 1.00 0.00 H new ATOM 0 HZ2 LYS A 54 67.044 7.946 -2.780 1.00 0.00 H new ATOM 0 HZ3 LYS A 54 66.885 7.569 -1.132 1.00 0.00 H new ATOM 862 N ILE A 55 68.221 3.419 -0.409 1.00 0.00 N ATOM 863 CA ILE A 55 66.971 2.679 -0.586 1.00 0.00 C ATOM 864 C ILE A 55 65.911 3.616 -1.178 1.00 0.00 C ATOM 865 O ILE A 55 65.585 4.642 -0.581 1.00 0.00 O ATOM 866 CB ILE A 55 66.491 2.162 0.782 1.00 0.00 C ATOM 867 CG1 ILE A 55 67.695 1.673 1.603 1.00 0.00 C ATOM 868 CG2 ILE A 55 65.510 1.001 0.590 1.00 0.00 C ATOM 869 CD1 ILE A 55 68.514 0.654 0.808 1.00 0.00 C ATOM 0 H ILE A 55 68.280 3.948 0.461 1.00 0.00 H new ATOM 0 HA ILE A 55 67.132 1.837 -1.259 1.00 0.00 H new ATOM 0 HB ILE A 55 65.991 2.975 1.309 1.00 0.00 H new ATOM 0 HG12 ILE A 55 68.324 2.520 1.875 1.00 0.00 H new ATOM 0 HG13 ILE A 55 67.348 1.222 2.533 1.00 0.00 H new ATOM 0 HG21 ILE A 55 65.176 0.642 1.564 1.00 0.00 H new ATOM 0 HG22 ILE A 55 64.650 1.343 0.015 1.00 0.00 H new ATOM 0 HG23 ILE A 55 66.005 0.191 0.055 1.00 0.00 H new ATOM 0 HD11 ILE A 55 69.361 0.321 1.407 1.00 0.00 H new ATOM 0 HD12 ILE A 55 67.887 -0.202 0.559 1.00 0.00 H new ATOM 0 HD13 ILE A 55 68.878 1.116 -0.110 1.00 0.00 H new ATOM 881 N VAL A 56 65.391 3.282 -2.357 1.00 0.00 N ATOM 882 CA VAL A 56 64.392 4.144 -2.997 1.00 0.00 C ATOM 883 C VAL A 56 63.006 3.960 -2.370 1.00 0.00 C ATOM 884 O VAL A 56 62.374 4.936 -1.967 1.00 0.00 O ATOM 885 CB VAL A 56 64.335 3.859 -4.515 1.00 0.00 C ATOM 886 CG1 VAL A 56 63.057 4.457 -5.124 1.00 0.00 C ATOM 887 CG2 VAL A 56 65.551 4.493 -5.205 1.00 0.00 C ATOM 0 H VAL A 56 65.635 2.442 -2.881 1.00 0.00 H new ATOM 0 HA VAL A 56 64.694 5.179 -2.839 1.00 0.00 H new ATOM 0 HB VAL A 56 64.338 2.779 -4.664 1.00 0.00 H new ATOM 0 HG11 VAL A 56 63.031 4.248 -6.193 1.00 0.00 H new ATOM 0 HG12 VAL A 56 62.184 4.013 -4.646 1.00 0.00 H new ATOM 0 HG13 VAL A 56 63.048 5.535 -4.965 1.00 0.00 H new ATOM 0 HG21 VAL A 56 65.509 4.291 -6.275 1.00 0.00 H new ATOM 0 HG22 VAL A 56 65.543 5.570 -5.039 1.00 0.00 H new ATOM 0 HG23 VAL A 56 66.466 4.069 -4.792 1.00 0.00 H new ATOM 897 N LYS A 57 62.527 2.720 -2.299 1.00 0.00 N ATOM 898 CA LYS A 57 61.205 2.465 -1.733 1.00 0.00 C ATOM 899 C LYS A 57 61.037 0.987 -1.399 1.00 0.00 C ATOM 900 O LYS A 57 61.739 0.139 -1.946 1.00 0.00 O ATOM 901 CB LYS A 57 60.135 2.906 -2.738 1.00 0.00 C ATOM 902 CG LYS A 57 58.739 2.759 -2.126 1.00 0.00 C ATOM 903 CD LYS A 57 57.699 3.320 -3.097 1.00 0.00 C ATOM 904 CE LYS A 57 56.306 3.213 -2.474 1.00 0.00 C ATOM 905 NZ LYS A 57 55.897 1.781 -2.388 1.00 0.00 N ATOM 0 H LYS A 57 63.024 1.889 -2.620 1.00 0.00 H new ATOM 0 HA LYS A 57 61.096 3.033 -0.809 1.00 0.00 H new ATOM 0 HB2 LYS A 57 60.305 3.943 -3.029 1.00 0.00 H new ATOM 0 HB3 LYS A 57 60.208 2.305 -3.644 1.00 0.00 H new ATOM 0 HG2 LYS A 57 58.530 1.710 -1.917 1.00 0.00 H new ATOM 0 HG3 LYS A 57 58.689 3.289 -1.175 1.00 0.00 H new ATOM 0 HD2 LYS A 57 57.926 4.361 -3.328 1.00 0.00 H new ATOM 0 HD3 LYS A 57 57.731 2.770 -4.038 1.00 0.00 H new ATOM 0 HE2 LYS A 57 56.307 3.660 -1.480 1.00 0.00 H new ATOM 0 HE3 LYS A 57 55.586 3.770 -3.073 1.00 0.00 H new ATOM 0 HZ1 LYS A 57 54.877 1.722 -2.192 1.00 0.00 H new ATOM 0 HZ2 LYS A 57 56.104 1.306 -3.290 1.00 0.00 H new ATOM 0 HZ3 LYS A 57 56.424 1.315 -1.622 1.00 0.00 H new ATOM 919 N ILE A 58 60.113 0.679 -0.488 1.00 0.00 N ATOM 920 CA ILE A 58 59.879 -0.705 -0.082 1.00 0.00 C ATOM 921 C ILE A 58 58.828 -1.361 -0.979 1.00 0.00 C ATOM 922 O ILE A 58 57.668 -0.953 -1.004 1.00 0.00 O ATOM 923 CB ILE A 58 59.445 -0.727 1.397 1.00 0.00 C ATOM 924 CG1 ILE A 58 59.728 -2.108 2.003 1.00 0.00 C ATOM 925 CG2 ILE A 58 57.953 -0.384 1.534 1.00 0.00 C ATOM 926 CD1 ILE A 58 59.020 -2.254 3.357 1.00 0.00 C ATOM 0 H ILE A 58 59.519 1.364 -0.021 1.00 0.00 H new ATOM 0 HA ILE A 58 60.799 -1.279 -0.190 1.00 0.00 H new ATOM 0 HB ILE A 58 60.019 0.026 1.937 1.00 0.00 H new ATOM 0 HG12 ILE A 58 59.388 -2.888 1.322 1.00 0.00 H new ATOM 0 HG13 ILE A 58 60.802 -2.243 2.131 1.00 0.00 H new ATOM 0 HG21 ILE A 58 57.670 -0.406 2.586 1.00 0.00 H new ATOM 0 HG22 ILE A 58 57.770 0.611 1.129 1.00 0.00 H new ATOM 0 HG23 ILE A 58 57.360 -1.114 0.983 1.00 0.00 H new ATOM 0 HD11 ILE A 58 59.231 -3.239 3.773 1.00 0.00 H new ATOM 0 HD12 ILE A 58 59.381 -1.486 4.041 1.00 0.00 H new ATOM 0 HD13 ILE A 58 57.945 -2.141 3.219 1.00 0.00 H new ATOM 938 N LEU A 59 59.253 -2.372 -1.739 1.00 0.00 N ATOM 939 CA LEU A 59 58.341 -3.068 -2.649 1.00 0.00 C ATOM 940 C LEU A 59 57.605 -4.205 -1.938 1.00 0.00 C ATOM 941 O LEU A 59 56.518 -4.603 -2.355 1.00 0.00 O ATOM 942 CB LEU A 59 59.127 -3.619 -3.846 1.00 0.00 C ATOM 943 CG LEU A 59 58.189 -4.335 -4.835 1.00 0.00 C ATOM 944 CD1 LEU A 59 57.080 -3.379 -5.310 1.00 0.00 C ATOM 945 CD2 LEU A 59 59.007 -4.814 -6.040 1.00 0.00 C ATOM 0 H LEU A 59 60.210 -2.724 -1.744 1.00 0.00 H new ATOM 0 HA LEU A 59 57.596 -2.353 -2.998 1.00 0.00 H new ATOM 0 HB2 LEU A 59 59.644 -2.804 -4.353 1.00 0.00 H new ATOM 0 HB3 LEU A 59 59.892 -4.313 -3.496 1.00 0.00 H new ATOM 0 HG LEU A 59 57.724 -5.186 -4.337 1.00 0.00 H new ATOM 0 HD11 LEU A 59 56.425 -3.900 -6.009 1.00 0.00 H new ATOM 0 HD12 LEU A 59 56.499 -3.040 -4.452 1.00 0.00 H new ATOM 0 HD13 LEU A 59 57.529 -2.519 -5.806 1.00 0.00 H new ATOM 0 HD21 LEU A 59 58.351 -5.323 -6.746 1.00 0.00 H new ATOM 0 HD22 LEU A 59 59.471 -3.957 -6.528 1.00 0.00 H new ATOM 0 HD23 LEU A 59 59.781 -5.503 -5.703 1.00 0.00 H new ATOM 957 N TYR A 60 58.209 -4.734 -0.869 1.00 0.00 N ATOM 958 CA TYR A 60 57.611 -5.845 -0.109 1.00 0.00 C ATOM 959 C TYR A 60 57.192 -5.394 1.294 1.00 0.00 C ATOM 960 O TYR A 60 57.846 -4.556 1.914 1.00 0.00 O ATOM 961 CB TYR A 60 58.628 -7.008 0.000 1.00 0.00 C ATOM 962 CG TYR A 60 58.502 -7.933 -1.202 1.00 0.00 C ATOM 963 CD1 TYR A 60 58.635 -7.417 -2.501 1.00 0.00 C ATOM 964 CD2 TYR A 60 58.247 -9.306 -1.023 1.00 0.00 C ATOM 965 CE1 TYR A 60 58.512 -8.264 -3.609 1.00 0.00 C ATOM 966 CE2 TYR A 60 58.128 -10.148 -2.135 1.00 0.00 C ATOM 967 CZ TYR A 60 58.260 -9.627 -3.427 1.00 0.00 C ATOM 968 OH TYR A 60 58.140 -10.456 -4.523 1.00 0.00 O ATOM 0 H TYR A 60 59.108 -4.415 -0.509 1.00 0.00 H new ATOM 0 HA TYR A 60 56.720 -6.181 -0.640 1.00 0.00 H new ATOM 0 HB2 TYR A 60 59.641 -6.610 0.057 1.00 0.00 H new ATOM 0 HB3 TYR A 60 58.453 -7.568 0.919 1.00 0.00 H new ATOM 0 HD1 TYR A 60 58.832 -6.365 -2.646 1.00 0.00 H new ATOM 0 HD2 TYR A 60 58.143 -9.710 -0.027 1.00 0.00 H new ATOM 0 HE1 TYR A 60 58.612 -7.863 -4.607 1.00 0.00 H new ATOM 0 HE2 TYR A 60 57.934 -11.201 -1.996 1.00 0.00 H new ATOM 0 HH TYR A 60 58.256 -9.933 -5.343 1.00 0.00 H new ATOM 978 N ARG A 61 56.092 -5.980 1.789 1.00 0.00 N ATOM 979 CA ARG A 61 55.573 -5.670 3.125 1.00 0.00 C ATOM 980 C ARG A 61 55.477 -6.947 3.958 1.00 0.00 C ATOM 981 O ARG A 61 55.568 -8.054 3.426 1.00 0.00 O ATOM 982 CB ARG A 61 54.189 -5.024 3.023 1.00 0.00 C ATOM 983 CG ARG A 61 54.313 -3.652 2.358 1.00 0.00 C ATOM 984 CD ARG A 61 52.937 -2.989 2.289 1.00 0.00 C ATOM 985 NE ARG A 61 52.047 -3.752 1.420 1.00 0.00 N ATOM 986 CZ ARG A 61 52.063 -3.600 0.100 1.00 0.00 C ATOM 987 NH1 ARG A 61 52.879 -2.744 -0.454 1.00 0.00 N ATOM 988 NH2 ARG A 61 51.254 -4.308 -0.639 1.00 0.00 N ATOM 0 H ARG A 61 55.544 -6.674 1.280 1.00 0.00 H new ATOM 0 HA ARG A 61 56.257 -4.972 3.608 1.00 0.00 H new ATOM 0 HB2 ARG A 61 53.521 -5.661 2.444 1.00 0.00 H new ATOM 0 HB3 ARG A 61 53.750 -4.920 4.015 1.00 0.00 H new ATOM 0 HG2 ARG A 61 55.002 -3.024 2.922 1.00 0.00 H new ATOM 0 HG3 ARG A 61 54.727 -3.759 1.355 1.00 0.00 H new ATOM 0 HD2 ARG A 61 52.509 -2.921 3.289 1.00 0.00 H new ATOM 0 HD3 ARG A 61 53.036 -1.970 1.914 1.00 0.00 H new ATOM 0 HE ARG A 61 51.397 -4.418 1.836 1.00 0.00 H new ATOM 0 HH11 ARG A 61 53.507 -2.189 0.127 1.00 0.00 H new ATOM 0 HH12 ARG A 61 52.888 -2.631 -1.468 1.00 0.00 H new ATOM 0 HH21 ARG A 61 50.615 -4.973 -0.203 1.00 0.00 H new ATOM 0 HH22 ARG A 61 51.260 -4.197 -1.653 1.00 0.00 H new ATOM 1002 N GLU A 62 55.307 -6.785 5.267 1.00 0.00 N ATOM 1003 CA GLU A 62 55.219 -7.933 6.173 1.00 0.00 C ATOM 1004 C GLU A 62 54.078 -8.869 5.804 1.00 0.00 C ATOM 1005 O GLU A 62 52.993 -8.436 5.414 1.00 0.00 O ATOM 1006 CB GLU A 62 55.016 -7.465 7.615 1.00 0.00 C ATOM 1007 CG GLU A 62 56.278 -6.772 8.126 1.00 0.00 C ATOM 1008 CD GLU A 62 57.422 -7.773 8.256 1.00 0.00 C ATOM 1009 OE1 GLU A 62 57.141 -8.956 8.355 1.00 0.00 O ATOM 1010 OE2 GLU A 62 58.565 -7.342 8.246 1.00 0.00 O ATOM 0 H GLU A 62 55.227 -5.877 5.725 1.00 0.00 H new ATOM 0 HA GLU A 62 56.160 -8.475 6.079 1.00 0.00 H new ATOM 0 HB2 GLU A 62 54.170 -6.780 7.667 1.00 0.00 H new ATOM 0 HB3 GLU A 62 54.777 -8.317 8.252 1.00 0.00 H new ATOM 0 HG2 GLU A 62 56.563 -5.972 7.443 1.00 0.00 H new ATOM 0 HG3 GLU A 62 56.080 -6.310 9.093 1.00 0.00 H new ATOM 1017 N GLY A 63 54.348 -10.159 5.965 1.00 0.00 N ATOM 1018 CA GLY A 63 53.355 -11.201 5.686 1.00 0.00 C ATOM 1019 C GLY A 63 53.273 -11.530 4.204 1.00 0.00 C ATOM 1020 O GLY A 63 52.419 -12.311 3.785 1.00 0.00 O ATOM 0 H GLY A 63 55.248 -10.514 6.288 1.00 0.00 H new ATOM 0 HA2 GLY A 63 53.609 -12.102 6.244 1.00 0.00 H new ATOM 0 HA3 GLY A 63 52.377 -10.873 6.039 1.00 0.00 H new ATOM 1024 N GLN A 64 54.148 -10.932 3.402 1.00 0.00 N ATOM 1025 CA GLN A 64 54.125 -11.182 1.963 1.00 0.00 C ATOM 1026 C GLN A 64 54.953 -12.413 1.595 1.00 0.00 C ATOM 1027 O GLN A 64 56.112 -12.545 1.991 1.00 0.00 O ATOM 1028 CB GLN A 64 54.661 -9.962 1.219 1.00 0.00 C ATOM 1029 CG GLN A 64 54.447 -10.146 -0.283 1.00 0.00 C ATOM 1030 CD GLN A 64 54.881 -8.886 -1.024 1.00 0.00 C ATOM 1031 OE1 GLN A 64 55.054 -7.835 -0.409 1.00 0.00 O ATOM 1032 NE2 GLN A 64 55.066 -8.930 -2.315 1.00 0.00 N ATOM 0 H GLN A 64 54.870 -10.283 3.715 1.00 0.00 H new ATOM 0 HA GLN A 64 53.092 -11.370 1.671 1.00 0.00 H new ATOM 0 HB2 GLN A 64 54.152 -9.061 1.562 1.00 0.00 H new ATOM 0 HB3 GLN A 64 55.722 -9.830 1.432 1.00 0.00 H new ATOM 0 HG2 GLN A 64 55.018 -11.003 -0.639 1.00 0.00 H new ATOM 0 HG3 GLN A 64 53.397 -10.356 -0.487 1.00 0.00 H new ATOM 0 HE21 GLN A 64 54.922 -9.804 -2.821 1.00 0.00 H new ATOM 0 HE22 GLN A 64 55.355 -8.091 -2.818 1.00 0.00 H new ATOM 1041 N VAL A 65 54.343 -13.303 0.813 1.00 0.00 N ATOM 1042 CA VAL A 65 55.007 -14.530 0.350 1.00 0.00 C ATOM 1043 C VAL A 65 54.877 -14.622 -1.165 1.00 0.00 C ATOM 1044 O VAL A 65 53.782 -14.473 -1.709 1.00 0.00 O ATOM 1045 CB VAL A 65 54.369 -15.768 0.998 1.00 0.00 C ATOM 1046 CG1 VAL A 65 52.854 -15.742 0.783 1.00 0.00 C ATOM 1047 CG2 VAL A 65 54.951 -17.034 0.359 1.00 0.00 C ATOM 0 H VAL A 65 53.384 -13.200 0.483 1.00 0.00 H new ATOM 0 HA VAL A 65 56.059 -14.495 0.635 1.00 0.00 H new ATOM 0 HB VAL A 65 54.582 -15.765 2.067 1.00 0.00 H new ATOM 0 HG11 VAL A 65 52.406 -16.622 1.244 1.00 0.00 H new ATOM 0 HG12 VAL A 65 52.438 -14.843 1.237 1.00 0.00 H new ATOM 0 HG13 VAL A 65 52.638 -15.743 -0.285 1.00 0.00 H new ATOM 0 HG21 VAL A 65 54.499 -17.914 0.818 1.00 0.00 H new ATOM 0 HG22 VAL A 65 54.738 -17.033 -0.710 1.00 0.00 H new ATOM 0 HG23 VAL A 65 56.030 -17.057 0.514 1.00 0.00 H new ATOM 1057 N VAL A 66 56.000 -14.852 -1.850 1.00 0.00 N ATOM 1058 CA VAL A 66 55.993 -14.937 -3.317 1.00 0.00 C ATOM 1059 C VAL A 66 57.068 -15.930 -3.808 1.00 0.00 C ATOM 1060 O VAL A 66 58.174 -15.939 -3.267 1.00 0.00 O ATOM 1061 CB VAL A 66 56.293 -13.541 -3.899 1.00 0.00 C ATOM 1062 CG1 VAL A 66 55.802 -13.436 -5.347 1.00 0.00 C ATOM 1063 CG2 VAL A 66 55.608 -12.469 -3.051 1.00 0.00 C ATOM 0 H VAL A 66 56.916 -14.982 -1.421 1.00 0.00 H new ATOM 0 HA VAL A 66 55.015 -15.286 -3.648 1.00 0.00 H new ATOM 0 HB VAL A 66 57.372 -13.389 -3.885 1.00 0.00 H new ATOM 0 HG11 VAL A 66 56.025 -12.442 -5.736 1.00 0.00 H new ATOM 0 HG12 VAL A 66 56.306 -14.186 -5.957 1.00 0.00 H new ATOM 0 HG13 VAL A 66 54.726 -13.605 -5.379 1.00 0.00 H new ATOM 0 HG21 VAL A 66 55.823 -11.484 -3.466 1.00 0.00 H new ATOM 0 HG22 VAL A 66 54.531 -12.637 -3.053 1.00 0.00 H new ATOM 0 HG23 VAL A 66 55.981 -12.521 -2.028 1.00 0.00 H new ATOM 1073 N PRO A 67 56.804 -16.740 -4.822 1.00 0.00 N ATOM 1074 CA PRO A 67 57.835 -17.693 -5.347 1.00 0.00 C ATOM 1075 C PRO A 67 59.149 -16.994 -5.717 1.00 0.00 C ATOM 1076 O PRO A 67 59.157 -15.849 -6.167 1.00 0.00 O ATOM 1077 CB PRO A 67 57.182 -18.315 -6.596 1.00 0.00 C ATOM 1078 CG PRO A 67 55.710 -18.115 -6.425 1.00 0.00 C ATOM 1079 CD PRO A 67 55.529 -16.867 -5.553 1.00 0.00 C ATOM 0 HA PRO A 67 58.109 -18.432 -4.594 1.00 0.00 H new ATOM 0 HB2 PRO A 67 57.540 -17.833 -7.506 1.00 0.00 H new ATOM 0 HB3 PRO A 67 57.426 -19.374 -6.679 1.00 0.00 H new ATOM 0 HG2 PRO A 67 55.223 -17.985 -7.391 1.00 0.00 H new ATOM 0 HG3 PRO A 67 55.254 -18.985 -5.953 1.00 0.00 H new ATOM 0 HD2 PRO A 67 55.330 -15.984 -6.160 1.00 0.00 H new ATOM 0 HD3 PRO A 67 54.688 -16.979 -4.868 1.00 0.00 H new ATOM 1087 N VAL A 68 60.255 -17.707 -5.513 1.00 0.00 N ATOM 1088 CA VAL A 68 61.586 -17.178 -5.817 1.00 0.00 C ATOM 1089 C VAL A 68 61.675 -16.735 -7.277 1.00 0.00 C ATOM 1090 O VAL A 68 61.318 -17.480 -8.188 1.00 0.00 O ATOM 1091 CB VAL A 68 62.644 -18.266 -5.539 1.00 0.00 C ATOM 1092 CG1 VAL A 68 62.229 -19.579 -6.211 1.00 0.00 C ATOM 1093 CG2 VAL A 68 64.014 -17.841 -6.085 1.00 0.00 C ATOM 0 H VAL A 68 60.257 -18.655 -5.137 1.00 0.00 H new ATOM 0 HA VAL A 68 61.770 -16.311 -5.183 1.00 0.00 H new ATOM 0 HB VAL A 68 62.715 -18.405 -4.460 1.00 0.00 H new ATOM 0 HG11 VAL A 68 62.980 -20.343 -6.011 1.00 0.00 H new ATOM 0 HG12 VAL A 68 61.267 -19.903 -5.814 1.00 0.00 H new ATOM 0 HG13 VAL A 68 62.144 -19.426 -7.287 1.00 0.00 H new ATOM 0 HG21 VAL A 68 64.746 -18.622 -5.879 1.00 0.00 H new ATOM 0 HG22 VAL A 68 63.944 -17.684 -7.161 1.00 0.00 H new ATOM 0 HG23 VAL A 68 64.326 -16.915 -5.603 1.00 0.00 H new ATOM 1103 N GLY A 69 62.171 -15.514 -7.489 1.00 0.00 N ATOM 1104 CA GLY A 69 62.327 -14.967 -8.844 1.00 0.00 C ATOM 1105 C GLY A 69 61.682 -13.589 -8.975 1.00 0.00 C ATOM 1106 O GLY A 69 60.912 -13.348 -9.907 1.00 0.00 O ATOM 0 H GLY A 69 62.471 -14.885 -6.744 1.00 0.00 H new ATOM 0 HA2 GLY A 69 63.387 -14.897 -9.088 1.00 0.00 H new ATOM 0 HA3 GLY A 69 61.878 -15.649 -9.566 1.00 0.00 H new ATOM 1110 N SER A 70 61.989 -12.683 -8.046 1.00 0.00 N ATOM 1111 CA SER A 70 61.413 -11.342 -8.095 1.00 0.00 C ATOM 1112 C SER A 70 62.235 -10.363 -7.265 1.00 0.00 C ATOM 1113 O SER A 70 63.059 -10.768 -6.445 1.00 0.00 O ATOM 1114 CB SER A 70 59.978 -11.381 -7.576 1.00 0.00 C ATOM 1115 OG SER A 70 59.965 -11.994 -6.293 1.00 0.00 O ATOM 0 H SER A 70 62.622 -12.850 -7.264 1.00 0.00 H new ATOM 0 HA SER A 70 61.420 -11.002 -9.131 1.00 0.00 H new ATOM 0 HB2 SER A 70 59.573 -10.371 -7.515 1.00 0.00 H new ATOM 0 HB3 SER A 70 59.344 -11.938 -8.266 1.00 0.00 H new ATOM 0 HG SER A 70 59.367 -11.495 -5.698 1.00 0.00 H new ATOM 1121 N THR A 71 62.005 -9.071 -7.483 1.00 0.00 N ATOM 1122 CA THR A 71 62.731 -8.035 -6.753 1.00 0.00 C ATOM 1123 C THR A 71 62.036 -7.694 -5.445 1.00 0.00 C ATOM 1124 O THR A 71 60.841 -7.401 -5.423 1.00 0.00 O ATOM 1125 CB THR A 71 62.827 -6.777 -7.613 1.00 0.00 C ATOM 1126 OG1 THR A 71 61.527 -6.240 -7.823 1.00 0.00 O ATOM 1127 CG2 THR A 71 63.445 -7.141 -8.956 1.00 0.00 C ATOM 0 H THR A 71 61.325 -8.717 -8.156 1.00 0.00 H new ATOM 0 HA THR A 71 63.728 -8.414 -6.527 1.00 0.00 H new ATOM 0 HB THR A 71 63.445 -6.035 -7.108 1.00 0.00 H new ATOM 0 HG1 THR A 71 60.914 -6.591 -7.143 1.00 0.00 H new ATOM 0 HG21 THR A 71 63.517 -6.248 -9.577 1.00 0.00 H new ATOM 0 HG22 THR A 71 64.441 -7.555 -8.798 1.00 0.00 H new ATOM 0 HG23 THR A 71 62.820 -7.881 -9.456 1.00 0.00 H new ATOM 1135 N LEU A 72 62.791 -7.735 -4.351 1.00 0.00 N ATOM 1136 CA LEU A 72 62.233 -7.423 -3.035 1.00 0.00 C ATOM 1137 C LEU A 72 62.438 -5.949 -2.679 1.00 0.00 C ATOM 1138 O LEU A 72 61.982 -5.492 -1.631 1.00 0.00 O ATOM 1139 CB LEU A 72 62.920 -8.278 -1.977 1.00 0.00 C ATOM 1140 CG LEU A 72 62.785 -9.765 -2.324 1.00 0.00 C ATOM 1141 CD1 LEU A 72 63.492 -10.587 -1.248 1.00 0.00 C ATOM 1142 CD2 LEU A 72 61.301 -10.166 -2.389 1.00 0.00 C ATOM 0 H LEU A 72 63.782 -7.978 -4.346 1.00 0.00 H new ATOM 0 HA LEU A 72 61.164 -7.632 -3.065 1.00 0.00 H new ATOM 0 HB2 LEU A 72 63.974 -8.008 -1.909 1.00 0.00 H new ATOM 0 HB3 LEU A 72 62.478 -8.084 -1.000 1.00 0.00 H new ATOM 0 HG LEU A 72 63.238 -9.953 -3.297 1.00 0.00 H new ATOM 0 HD11 LEU A 72 63.403 -11.648 -1.483 1.00 0.00 H new ATOM 0 HD12 LEU A 72 64.546 -10.310 -1.212 1.00 0.00 H new ATOM 0 HD13 LEU A 72 63.032 -10.391 -0.279 1.00 0.00 H new ATOM 0 HD21 LEU A 72 61.221 -11.225 -2.636 1.00 0.00 H new ATOM 0 HD22 LEU A 72 60.832 -9.983 -1.422 1.00 0.00 H new ATOM 0 HD23 LEU A 72 60.798 -9.575 -3.154 1.00 0.00 H new ATOM 1154 N LEU A 73 63.147 -5.217 -3.533 1.00 0.00 N ATOM 1155 CA LEU A 73 63.422 -3.803 -3.263 1.00 0.00 C ATOM 1156 C LEU A 73 64.364 -3.258 -4.348 1.00 0.00 C ATOM 1157 O LEU A 73 65.167 -4.006 -4.907 1.00 0.00 O ATOM 1158 CB LEU A 73 64.018 -3.701 -1.828 1.00 0.00 C ATOM 1159 CG LEU A 73 65.037 -2.552 -1.666 1.00 0.00 C ATOM 1160 CD1 LEU A 73 64.381 -1.179 -1.878 1.00 0.00 C ATOM 1161 CD2 LEU A 73 65.661 -2.612 -0.257 1.00 0.00 C ATOM 0 H LEU A 73 63.538 -5.569 -4.407 1.00 0.00 H new ATOM 0 HA LEU A 73 62.519 -3.194 -3.298 1.00 0.00 H new ATOM 0 HB2 LEU A 73 63.206 -3.559 -1.115 1.00 0.00 H new ATOM 0 HB3 LEU A 73 64.503 -4.644 -1.576 1.00 0.00 H new ATOM 0 HG LEU A 73 65.809 -2.677 -2.425 1.00 0.00 H new ATOM 0 HD11 LEU A 73 65.129 -0.396 -1.756 1.00 0.00 H new ATOM 0 HD12 LEU A 73 63.962 -1.127 -2.883 1.00 0.00 H new ATOM 0 HD13 LEU A 73 63.586 -1.039 -1.146 1.00 0.00 H new ATOM 0 HD21 LEU A 73 66.380 -1.801 -0.143 1.00 0.00 H new ATOM 0 HD22 LEU A 73 64.877 -2.510 0.493 1.00 0.00 H new ATOM 0 HD23 LEU A 73 66.168 -3.568 -0.124 1.00 0.00 H new ATOM 1173 N GLN A 74 64.248 -1.962 -4.664 1.00 0.00 N ATOM 1174 CA GLN A 74 65.092 -1.352 -5.710 1.00 0.00 C ATOM 1175 C GLN A 74 66.193 -0.488 -5.103 1.00 0.00 C ATOM 1176 O GLN A 74 65.929 0.384 -4.278 1.00 0.00 O ATOM 1177 CB GLN A 74 64.235 -0.492 -6.639 1.00 0.00 C ATOM 1178 CG GLN A 74 65.113 0.092 -7.750 1.00 0.00 C ATOM 1179 CD GLN A 74 64.240 0.789 -8.786 1.00 0.00 C ATOM 1180 OE1 GLN A 74 63.033 0.549 -8.844 1.00 0.00 O ATOM 1181 NE2 GLN A 74 64.781 1.631 -9.624 1.00 0.00 N ATOM 0 H GLN A 74 63.590 -1.321 -4.221 1.00 0.00 H new ATOM 0 HA GLN A 74 65.556 -2.161 -6.274 1.00 0.00 H new ATOM 0 HB2 GLN A 74 63.434 -1.092 -7.071 1.00 0.00 H new ATOM 0 HB3 GLN A 74 63.762 0.312 -6.075 1.00 0.00 H new ATOM 0 HG2 GLN A 74 65.827 0.799 -7.328 1.00 0.00 H new ATOM 0 HG3 GLN A 74 65.692 -0.701 -8.223 1.00 0.00 H new ATOM 0 HE21 GLN A 74 65.780 1.829 -9.575 1.00 0.00 H new ATOM 0 HE22 GLN A 74 64.204 2.091 -10.328 1.00 0.00 H new ATOM 1190 N ILE A 75 67.437 -0.737 -5.520 1.00 0.00 N ATOM 1191 CA ILE A 75 68.587 0.018 -5.008 1.00 0.00 C ATOM 1192 C ILE A 75 69.403 0.608 -6.149 1.00 0.00 C ATOM 1193 O ILE A 75 69.810 -0.099 -7.072 1.00 0.00 O ATOM 1194 CB ILE A 75 69.464 -0.919 -4.174 1.00 0.00 C ATOM 1195 CG1 ILE A 75 68.680 -1.413 -2.958 1.00 0.00 C ATOM 1196 CG2 ILE A 75 70.718 -0.195 -3.691 1.00 0.00 C ATOM 1197 CD1 ILE A 75 69.415 -2.594 -2.319 1.00 0.00 C ATOM 0 H ILE A 75 67.675 -1.452 -6.208 1.00 0.00 H new ATOM 0 HA ILE A 75 68.224 0.841 -4.392 1.00 0.00 H new ATOM 0 HB ILE A 75 69.756 -1.762 -4.800 1.00 0.00 H new ATOM 0 HG12 ILE A 75 68.567 -0.607 -2.233 1.00 0.00 H new ATOM 0 HG13 ILE A 75 67.677 -1.715 -3.258 1.00 0.00 H new ATOM 0 HG21 ILE A 75 71.328 -0.878 -3.100 1.00 0.00 H new ATOM 0 HG22 ILE A 75 71.291 0.152 -4.550 1.00 0.00 H new ATOM 0 HG23 ILE A 75 70.431 0.659 -3.077 1.00 0.00 H new ATOM 0 HD11 ILE A 75 68.855 -2.945 -1.452 1.00 0.00 H new ATOM 0 HD12 ILE A 75 69.505 -3.402 -3.045 1.00 0.00 H new ATOM 0 HD13 ILE A 75 70.409 -2.277 -2.004 1.00 0.00 H new ATOM 1209 N ASP A 76 69.652 1.913 -6.063 1.00 0.00 N ATOM 1210 CA ASP A 76 70.439 2.618 -7.079 1.00 0.00 C ATOM 1211 C ASP A 76 71.891 2.742 -6.624 1.00 0.00 C ATOM 1212 O ASP A 76 72.190 3.472 -5.678 1.00 0.00 O ATOM 1213 CB ASP A 76 69.862 4.017 -7.309 1.00 0.00 C ATOM 1214 CG ASP A 76 68.503 3.911 -7.993 1.00 0.00 C ATOM 1215 OD1 ASP A 76 68.215 2.854 -8.529 1.00 0.00 O ATOM 1216 OD2 ASP A 76 67.775 4.890 -7.979 1.00 0.00 O ATOM 0 H ASP A 76 69.321 2.506 -5.302 1.00 0.00 H new ATOM 0 HA ASP A 76 70.398 2.050 -8.008 1.00 0.00 H new ATOM 0 HB2 ASP A 76 69.760 4.539 -6.358 1.00 0.00 H new ATOM 0 HB3 ASP A 76 70.544 4.605 -7.924 1.00 0.00 H new ATOM 1221 N THR A 77 72.789 2.029 -7.294 1.00 0.00 N ATOM 1222 CA THR A 77 74.201 2.076 -6.932 1.00 0.00 C ATOM 1223 C THR A 77 74.767 3.475 -7.166 1.00 0.00 C ATOM 1224 O THR A 77 74.524 4.021 -8.230 1.00 0.00 O ATOM 1225 CB THR A 77 74.990 1.050 -7.754 1.00 0.00 C ATOM 1226 OG1 THR A 77 74.238 -0.149 -7.854 1.00 0.00 O ATOM 1227 CG2 THR A 77 76.327 0.761 -7.067 1.00 0.00 C ATOM 1228 OXT THR A 77 75.432 3.979 -6.277 1.00 0.00 O ATOM 0 H THR A 77 72.569 1.419 -8.081 1.00 0.00 H new ATOM 0 HA THR A 77 74.295 1.834 -5.873 1.00 0.00 H new ATOM 0 HB THR A 77 75.177 1.448 -8.751 1.00 0.00 H new ATOM 0 HG1 THR A 77 74.739 -0.806 -8.380 1.00 0.00 H new ATOM 0 HG21 THR A 77 76.887 0.032 -7.652 1.00 0.00 H new ATOM 0 HG22 THR A 77 76.903 1.683 -6.990 1.00 0.00 H new ATOM 0 HG23 THR A 77 76.145 0.362 -6.069 1.00 0.00 H new