USER MOD reduce.3.24.130724 H: found=0, std=0, add=550, rem=0, adj=17 USER MOD reduce.3.24.130724 removed 552 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 54 LYS NZ :NH3+ -116:sc= -0.0106 (180deg=-0.48) USER MOD Set 1.2: A 81 THR OG1 : rot -120:sc= -0.841 USER MOD Set 2.1: A 25 SER OG : rot 31:sc= 0.0659 USER MOD Set 2.2: A 33 GLN : amide:sc= -0.0107 K(o=0.055,f=-0.84) USER MOD Set 3.1: A 23 THR OG1 : rot 93:sc= 0.578 USER MOD Set 3.2: A 34 SER OG : rot 21:sc= -0.144 USER MOD Single : A 8 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 10 CYS SG : rot 28:sc= 0.207 USER MOD Single : A 14 GLN : amide:sc= 0 K(o=0,f=-1.4) USER MOD Single : A 15 LYS NZ :NH3+ -177:sc= 0 (180deg=-0.00815) USER MOD Single : A 18 ASN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 28 ASN : amide:sc= -0.109 K(o=-0.11,f=-1.5!) USER MOD Single : A 36 LYS NZ :NH3+ 148:sc=-0.00879 (180deg=-0.633) USER MOD Single : A 42 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 47 GLN :FLIP amide:sc= -0.727 F(o=-1.7,f=-0.73) USER MOD Single : A 48 THR OG1 : rot 180:sc= 0.04 USER MOD Single : A 56 ASN : amide:sc= 0.747 K(o=0.75,f=-4.9!) USER MOD Single : A 58 THR OG1 : rot 180:sc= 0 USER MOD Single : A 65 HIS : +bothHN:sc= -3.54 K(o=-3.5,f=-9.4!) USER MOD Single : A 70 LYS NZ :NH3+ -141:sc= 0 (180deg=-0.139) USER MOD Single : A 73 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 74 SER OG : rot -99:sc= 0.861 USER MOD Single : A 76 SER OG : rot 180:sc= 0 USER MOD Single : A 77 TYR OH : rot 180:sc= 0 USER MOD Single : A 83 GLN :FLIP amide:sc= 0 F(o=-0.52,f=0) USER MOD ----------------------------------------------------------------- ATOM 82 N VAL A 7 7.699 10.509 -7.089 1.00 0.00 N ATOM 83 CA VAL A 7 7.691 9.231 -7.789 1.00 0.00 C ATOM 84 C VAL A 7 6.668 8.278 -7.179 1.00 0.00 C ATOM 85 O VAL A 7 6.632 8.087 -5.964 1.00 0.00 O ATOM 86 CB VAL A 7 9.079 8.563 -7.758 1.00 0.00 C ATOM 87 CG1 VAL A 7 9.102 7.338 -8.659 1.00 0.00 C ATOM 88 CG2 VAL A 7 10.157 9.555 -8.167 1.00 0.00 C ATOM 0 HA VAL A 7 7.420 9.439 -8.824 1.00 0.00 H new ATOM 0 HB VAL A 7 9.284 8.239 -6.738 1.00 0.00 H new ATOM 0 HG11 VAL A 7 10.090 6.879 -8.624 1.00 0.00 H new ATOM 0 HG12 VAL A 7 8.357 6.620 -8.316 1.00 0.00 H new ATOM 0 HG13 VAL A 7 8.876 7.635 -9.683 1.00 0.00 H new ATOM 0 HG21 VAL A 7 11.131 9.066 -8.139 1.00 0.00 H new ATOM 0 HG22 VAL A 7 9.959 9.912 -9.178 1.00 0.00 H new ATOM 0 HG23 VAL A 7 10.155 10.399 -7.477 1.00 0.00 H new ATOM 98 N GLN A 8 5.841 7.683 -8.032 1.00 0.00 N ATOM 99 CA GLN A 8 4.816 6.750 -7.575 1.00 0.00 C ATOM 100 C GLN A 8 4.930 5.417 -8.307 1.00 0.00 C ATOM 101 O GLN A 8 5.301 5.371 -9.480 1.00 0.00 O ATOM 102 CB GLN A 8 3.423 7.345 -7.790 1.00 0.00 C ATOM 103 CG GLN A 8 3.312 8.802 -7.371 1.00 0.00 C ATOM 104 CD GLN A 8 2.810 9.694 -8.489 1.00 0.00 C ATOM 105 OE1 GLN A 8 3.594 10.229 -9.272 1.00 0.00 O ATOM 106 NE2 GLN A 8 1.495 9.861 -8.570 1.00 0.00 N ATOM 0 H GLN A 8 5.860 7.829 -9.041 1.00 0.00 H new ATOM 0 HA GLN A 8 4.968 6.574 -6.510 1.00 0.00 H new ATOM 0 HB2 GLN A 8 3.158 7.258 -8.844 1.00 0.00 H new ATOM 0 HB3 GLN A 8 2.696 6.758 -7.229 1.00 0.00 H new ATOM 0 HG2 GLN A 8 2.638 8.880 -6.518 1.00 0.00 H new ATOM 0 HG3 GLN A 8 4.288 9.156 -7.039 1.00 0.00 H new ATOM 0 HE21 GLN A 8 0.880 9.399 -7.900 1.00 0.00 H new ATOM 0 HE22 GLN A 8 1.100 10.451 -9.302 1.00 0.00 H new ATOM 115 N ARG A 9 4.609 4.334 -7.606 1.00 0.00 N ATOM 116 CA ARG A 9 4.674 2.999 -8.189 1.00 0.00 C ATOM 117 C ARG A 9 3.369 2.243 -7.963 1.00 0.00 C ATOM 118 O ARG A 9 2.861 2.182 -6.843 1.00 0.00 O ATOM 119 CB ARG A 9 5.843 2.214 -7.589 1.00 0.00 C ATOM 120 CG ARG A 9 5.708 1.970 -6.096 1.00 0.00 C ATOM 121 CD ARG A 9 7.061 1.714 -5.450 1.00 0.00 C ATOM 122 NE ARG A 9 7.520 0.344 -5.665 1.00 0.00 N ATOM 123 CZ ARG A 9 8.762 -0.069 -5.423 1.00 0.00 C ATOM 124 NH1 ARG A 9 9.671 0.779 -4.961 1.00 0.00 N ATOM 125 NH2 ARG A 9 9.096 -1.333 -5.647 1.00 0.00 N ATOM 0 H ARG A 9 4.301 4.355 -6.634 1.00 0.00 H new ATOM 0 HA ARG A 9 4.830 3.105 -9.263 1.00 0.00 H new ATOM 0 HB2 ARG A 9 5.926 1.255 -8.100 1.00 0.00 H new ATOM 0 HB3 ARG A 9 6.769 2.757 -7.778 1.00 0.00 H new ATOM 0 HG2 ARG A 9 5.236 2.833 -5.626 1.00 0.00 H new ATOM 0 HG3 ARG A 9 5.053 1.116 -5.923 1.00 0.00 H new ATOM 0 HD2 ARG A 9 7.794 2.410 -5.857 1.00 0.00 H new ATOM 0 HD3 ARG A 9 6.995 1.910 -4.380 1.00 0.00 H new ATOM 0 HE ARG A 9 6.849 -0.336 -6.022 1.00 0.00 H new ATOM 0 HH11 ARG A 9 9.420 1.753 -4.790 1.00 0.00 H new ATOM 0 HH12 ARG A 9 10.621 0.458 -4.777 1.00 0.00 H new ATOM 0 HH21 ARG A 9 8.401 -1.988 -6.005 1.00 0.00 H new ATOM 0 HH22 ARG A 9 10.048 -1.650 -5.462 1.00 0.00 H new ATOM 139 N CYS A 10 2.830 1.670 -9.033 1.00 0.00 N ATOM 140 CA CYS A 10 1.583 0.919 -8.952 1.00 0.00 C ATOM 141 C CYS A 10 1.830 -0.493 -8.429 1.00 0.00 C ATOM 142 O CYS A 10 2.701 -1.205 -8.926 1.00 0.00 O ATOM 143 CB CYS A 10 0.911 0.855 -10.324 1.00 0.00 C ATOM 144 SG CYS A 10 1.918 0.068 -11.603 1.00 0.00 S ATOM 0 H CYS A 10 3.237 1.711 -9.967 1.00 0.00 H new ATOM 0 HA CYS A 10 0.923 1.436 -8.255 1.00 0.00 H new ATOM 0 HB2 CYS A 10 -0.029 0.311 -10.231 1.00 0.00 H new ATOM 0 HB3 CYS A 10 0.664 1.867 -10.643 1.00 0.00 H new ATOM 0 HG CYS A 10 2.729 -0.786 -11.052 1.00 0.00 H new ATOM 150 N VAL A 11 1.056 -0.890 -7.423 1.00 0.00 N ATOM 151 CA VAL A 11 1.190 -2.215 -6.834 1.00 0.00 C ATOM 152 C VAL A 11 -0.173 -2.797 -6.475 1.00 0.00 C ATOM 153 O VAL A 11 -0.793 -2.391 -5.492 1.00 0.00 O ATOM 154 CB VAL A 11 2.070 -2.183 -5.570 1.00 0.00 C ATOM 155 CG1 VAL A 11 3.537 -2.041 -5.945 1.00 0.00 C ATOM 156 CG2 VAL A 11 1.637 -1.057 -4.645 1.00 0.00 C ATOM 0 H VAL A 11 0.330 -0.312 -7.000 1.00 0.00 H new ATOM 0 HA VAL A 11 1.667 -2.847 -7.583 1.00 0.00 H new ATOM 0 HB VAL A 11 1.944 -3.126 -5.038 1.00 0.00 H new ATOM 0 HG11 VAL A 11 4.144 -2.020 -5.040 1.00 0.00 H new ATOM 0 HG12 VAL A 11 3.838 -2.886 -6.564 1.00 0.00 H new ATOM 0 HG13 VAL A 11 3.682 -1.115 -6.501 1.00 0.00 H new ATOM 0 HG21 VAL A 11 2.270 -1.051 -3.758 1.00 0.00 H new ATOM 0 HG22 VAL A 11 1.731 -0.103 -5.164 1.00 0.00 H new ATOM 0 HG23 VAL A 11 0.599 -1.208 -4.349 1.00 0.00 H new ATOM 166 N ILE A 12 -0.635 -3.748 -7.279 1.00 0.00 N ATOM 167 CA ILE A 12 -1.926 -4.385 -7.046 1.00 0.00 C ATOM 168 C ILE A 12 -1.804 -5.519 -6.033 1.00 0.00 C ATOM 169 O ILE A 12 -0.974 -6.416 -6.187 1.00 0.00 O ATOM 170 CB ILE A 12 -2.522 -4.942 -8.353 1.00 0.00 C ATOM 171 CG1 ILE A 12 -2.526 -3.866 -9.440 1.00 0.00 C ATOM 172 CG2 ILE A 12 -3.932 -5.464 -8.115 1.00 0.00 C ATOM 173 CD1 ILE A 12 -2.175 -4.394 -10.814 1.00 0.00 C ATOM 0 H ILE A 12 -0.135 -4.095 -8.098 1.00 0.00 H new ATOM 0 HA ILE A 12 -2.591 -3.617 -6.651 1.00 0.00 H new ATOM 0 HB ILE A 12 -1.900 -5.771 -8.690 1.00 0.00 H new ATOM 0 HG12 ILE A 12 -3.512 -3.403 -9.478 1.00 0.00 H new ATOM 0 HG13 ILE A 12 -1.817 -3.084 -9.168 1.00 0.00 H new ATOM 0 HG21 ILE A 12 -4.338 -5.854 -9.048 1.00 0.00 H new ATOM 0 HG22 ILE A 12 -3.905 -6.260 -7.371 1.00 0.00 H new ATOM 0 HG23 ILE A 12 -4.564 -4.653 -7.755 1.00 0.00 H new ATOM 0 HD11 ILE A 12 -2.197 -3.576 -11.535 1.00 0.00 H new ATOM 0 HD12 ILE A 12 -1.177 -4.831 -10.792 1.00 0.00 H new ATOM 0 HD13 ILE A 12 -2.898 -5.155 -11.107 1.00 0.00 H new ATOM 185 N ILE A 13 -2.633 -5.471 -4.996 1.00 0.00 N ATOM 186 CA ILE A 13 -2.617 -6.494 -3.957 1.00 0.00 C ATOM 187 C ILE A 13 -3.707 -7.534 -4.196 1.00 0.00 C ATOM 188 O ILE A 13 -4.822 -7.199 -4.593 1.00 0.00 O ATOM 189 CB ILE A 13 -2.808 -5.879 -2.559 1.00 0.00 C ATOM 190 CG1 ILE A 13 -1.872 -4.684 -2.369 1.00 0.00 C ATOM 191 CG2 ILE A 13 -2.566 -6.927 -1.482 1.00 0.00 C ATOM 192 CD1 ILE A 13 -0.405 -5.050 -2.437 1.00 0.00 C ATOM 0 H ILE A 13 -3.324 -4.735 -4.853 1.00 0.00 H new ATOM 0 HA ILE A 13 -1.640 -6.976 -4.002 1.00 0.00 H new ATOM 0 HB ILE A 13 -3.836 -5.527 -2.471 1.00 0.00 H new ATOM 0 HG12 ILE A 13 -2.088 -3.938 -3.134 1.00 0.00 H new ATOM 0 HG13 ILE A 13 -2.078 -4.221 -1.404 1.00 0.00 H new ATOM 0 HG21 ILE A 13 -2.705 -6.477 -0.499 1.00 0.00 H new ATOM 0 HG22 ILE A 13 -3.272 -7.748 -1.608 1.00 0.00 H new ATOM 0 HG23 ILE A 13 -1.548 -7.307 -1.567 1.00 0.00 H new ATOM 0 HD11 ILE A 13 0.200 -4.155 -2.294 1.00 0.00 H new ATOM 0 HD12 ILE A 13 -0.174 -5.773 -1.655 1.00 0.00 H new ATOM 0 HD13 ILE A 13 -0.184 -5.486 -3.411 1.00 0.00 H new ATOM 204 N GLN A 14 -3.377 -8.797 -3.946 1.00 0.00 N ATOM 205 CA GLN A 14 -4.327 -9.887 -4.133 1.00 0.00 C ATOM 206 C GLN A 14 -4.709 -10.511 -2.793 1.00 0.00 C ATOM 207 O GLN A 14 -3.842 -10.894 -2.007 1.00 0.00 O ATOM 208 CB GLN A 14 -3.738 -10.956 -5.055 1.00 0.00 C ATOM 209 CG GLN A 14 -3.037 -10.388 -6.277 1.00 0.00 C ATOM 210 CD GLN A 14 -1.527 -10.504 -6.193 1.00 0.00 C ATOM 211 OE1 GLN A 14 -0.880 -9.796 -5.422 1.00 0.00 O ATOM 212 NE2 GLN A 14 -0.959 -11.403 -6.988 1.00 0.00 N ATOM 0 H GLN A 14 -2.459 -9.091 -3.613 1.00 0.00 H new ATOM 0 HA GLN A 14 -5.225 -9.476 -4.594 1.00 0.00 H new ATOM 0 HB2 GLN A 14 -3.030 -11.561 -4.489 1.00 0.00 H new ATOM 0 HB3 GLN A 14 -4.537 -11.622 -5.382 1.00 0.00 H new ATOM 0 HG2 GLN A 14 -3.388 -10.910 -7.167 1.00 0.00 H new ATOM 0 HG3 GLN A 14 -3.311 -9.339 -6.393 1.00 0.00 H new ATOM 0 HE21 GLN A 14 -1.535 -11.969 -7.612 1.00 0.00 H new ATOM 0 HE22 GLN A 14 0.053 -11.528 -6.975 1.00 0.00 H new ATOM 221 N LYS A 15 -6.009 -10.608 -2.541 1.00 0.00 N ATOM 222 CA LYS A 15 -6.505 -11.186 -1.298 1.00 0.00 C ATOM 223 C LYS A 15 -6.373 -12.705 -1.312 1.00 0.00 C ATOM 224 O LYS A 15 -6.602 -13.348 -2.337 1.00 0.00 O ATOM 225 CB LYS A 15 -7.967 -10.792 -1.076 1.00 0.00 C ATOM 226 CG LYS A 15 -8.545 -11.311 0.231 1.00 0.00 C ATOM 227 CD LYS A 15 -9.534 -10.324 0.834 1.00 0.00 C ATOM 228 CE LYS A 15 -10.959 -10.850 0.763 1.00 0.00 C ATOM 229 NZ LYS A 15 -11.412 -11.040 -0.642 1.00 0.00 N ATOM 0 H LYS A 15 -6.739 -10.294 -3.181 1.00 0.00 H new ATOM 0 HA LYS A 15 -5.901 -10.795 -0.479 1.00 0.00 H new ATOM 0 HB2 LYS A 15 -8.048 -9.705 -1.094 1.00 0.00 H new ATOM 0 HB3 LYS A 15 -8.566 -11.170 -1.904 1.00 0.00 H new ATOM 0 HG2 LYS A 15 -9.042 -12.265 0.057 1.00 0.00 H new ATOM 0 HG3 LYS A 15 -7.737 -11.497 0.939 1.00 0.00 H new ATOM 0 HD2 LYS A 15 -9.268 -10.130 1.873 1.00 0.00 H new ATOM 0 HD3 LYS A 15 -9.469 -9.373 0.305 1.00 0.00 H new ATOM 0 HE2 LYS A 15 -11.023 -11.799 1.296 1.00 0.00 H new ATOM 0 HE3 LYS A 15 -11.628 -10.154 1.269 1.00 0.00 H new ATOM 0 HZ1 LYS A 15 -12.404 -11.351 -0.648 1.00 0.00 H new ATOM 0 HZ2 LYS A 15 -11.328 -10.141 -1.158 1.00 0.00 H new ATOM 0 HZ3 LYS A 15 -10.821 -11.761 -1.103 1.00 0.00 H new ATOM 243 N ASP A 16 -6.001 -13.273 -0.169 1.00 0.00 N ATOM 244 CA ASP A 16 -5.839 -14.718 -0.051 1.00 0.00 C ATOM 245 C ASP A 16 -6.858 -15.300 0.924 1.00 0.00 C ATOM 246 O ASP A 16 -7.769 -14.606 1.373 1.00 0.00 O ATOM 247 CB ASP A 16 -4.421 -15.056 0.413 1.00 0.00 C ATOM 248 CG ASP A 16 -3.360 -14.368 -0.423 1.00 0.00 C ATOM 249 OD1 ASP A 16 -3.664 -13.987 -1.573 1.00 0.00 O ATOM 250 OD2 ASP A 16 -2.224 -14.210 0.073 1.00 0.00 O ATOM 0 H ASP A 16 -5.806 -12.755 0.688 1.00 0.00 H new ATOM 0 HA ASP A 16 -6.008 -15.160 -1.033 1.00 0.00 H new ATOM 0 HB2 ASP A 16 -4.304 -14.764 1.456 1.00 0.00 H new ATOM 0 HB3 ASP A 16 -4.274 -16.135 0.366 1.00 0.00 H new ATOM 255 N ASP A 17 -6.698 -16.580 1.244 1.00 0.00 N ATOM 256 CA ASP A 17 -7.604 -17.256 2.166 1.00 0.00 C ATOM 257 C ASP A 17 -7.593 -16.579 3.533 1.00 0.00 C ATOM 258 O ASP A 17 -8.601 -16.566 4.239 1.00 0.00 O ATOM 259 CB ASP A 17 -7.216 -18.731 2.305 1.00 0.00 C ATOM 260 CG ASP A 17 -8.233 -19.658 1.668 1.00 0.00 C ATOM 261 OD1 ASP A 17 -9.428 -19.295 1.636 1.00 0.00 O ATOM 262 OD2 ASP A 17 -7.835 -20.745 1.203 1.00 0.00 O ATOM 0 H ASP A 17 -5.950 -17.170 0.879 1.00 0.00 H new ATOM 0 HA ASP A 17 -8.613 -17.192 1.760 1.00 0.00 H new ATOM 0 HB2 ASP A 17 -6.242 -18.893 1.844 1.00 0.00 H new ATOM 0 HB3 ASP A 17 -7.114 -18.979 3.361 1.00 0.00 H new ATOM 267 N ASN A 18 -6.445 -16.019 3.901 1.00 0.00 N ATOM 268 CA ASN A 18 -6.302 -15.341 5.184 1.00 0.00 C ATOM 269 C ASN A 18 -6.646 -13.860 5.058 1.00 0.00 C ATOM 270 O ASN A 18 -7.238 -13.272 5.963 1.00 0.00 O ATOM 271 CB ASN A 18 -4.875 -15.503 5.713 1.00 0.00 C ATOM 272 CG ASN A 18 -4.728 -16.710 6.619 1.00 0.00 C ATOM 273 OD1 ASN A 18 -5.248 -16.730 7.735 1.00 0.00 O ATOM 274 ND2 ASN A 18 -4.018 -17.725 6.142 1.00 0.00 N ATOM 0 H ASN A 18 -5.601 -16.021 3.329 1.00 0.00 H new ATOM 0 HA ASN A 18 -6.997 -15.798 5.888 1.00 0.00 H new ATOM 0 HB2 ASN A 18 -4.187 -15.597 4.873 1.00 0.00 H new ATOM 0 HB3 ASN A 18 -4.589 -14.605 6.260 1.00 0.00 H new ATOM 0 HD21 ASN A 18 -3.886 -18.564 6.706 1.00 0.00 H new ATOM 0 HD22 ASN A 18 -3.605 -17.666 5.211 1.00 0.00 H new ATOM 281 N GLY A 19 -6.272 -13.264 3.931 1.00 0.00 N ATOM 282 CA GLY A 19 -6.550 -11.857 3.707 1.00 0.00 C ATOM 283 C GLY A 19 -5.286 -11.038 3.531 1.00 0.00 C ATOM 284 O GLY A 19 -4.178 -11.567 3.621 1.00 0.00 O ATOM 0 H GLY A 19 -5.781 -13.730 3.168 1.00 0.00 H new ATOM 0 HA2 GLY A 19 -7.175 -11.750 2.821 1.00 0.00 H new ATOM 0 HA3 GLY A 19 -7.120 -11.464 4.549 1.00 0.00 H new ATOM 288 N PHE A 20 -5.453 -9.744 3.277 1.00 0.00 N ATOM 289 CA PHE A 20 -4.316 -8.851 3.087 1.00 0.00 C ATOM 290 C PHE A 20 -3.432 -8.822 4.330 1.00 0.00 C ATOM 291 O PHE A 20 -3.899 -8.525 5.428 1.00 0.00 O ATOM 292 CB PHE A 20 -4.801 -7.437 2.759 1.00 0.00 C ATOM 293 CG PHE A 20 -5.523 -7.342 1.444 1.00 0.00 C ATOM 294 CD1 PHE A 20 -4.983 -7.904 0.299 1.00 0.00 C ATOM 295 CD2 PHE A 20 -6.743 -6.688 1.354 1.00 0.00 C ATOM 296 CE1 PHE A 20 -5.644 -7.818 -0.911 1.00 0.00 C ATOM 297 CE2 PHE A 20 -7.408 -6.599 0.149 1.00 0.00 C ATOM 298 CZ PHE A 20 -6.860 -7.164 -0.987 1.00 0.00 C ATOM 0 H PHE A 20 -6.364 -9.291 3.198 1.00 0.00 H new ATOM 0 HA PHE A 20 -3.725 -9.229 2.252 1.00 0.00 H new ATOM 0 HB2 PHE A 20 -5.464 -7.095 3.554 1.00 0.00 H new ATOM 0 HB3 PHE A 20 -3.945 -6.762 2.745 1.00 0.00 H new ATOM 0 HD1 PHE A 20 -4.033 -8.416 0.353 1.00 0.00 H new ATOM 0 HD2 PHE A 20 -7.177 -6.244 2.237 1.00 0.00 H new ATOM 0 HE1 PHE A 20 -5.212 -8.261 -1.796 1.00 0.00 H new ATOM 0 HE2 PHE A 20 -8.358 -6.087 0.093 1.00 0.00 H new ATOM 0 HZ PHE A 20 -7.380 -7.095 -1.931 1.00 0.00 H new ATOM 308 N GLY A 21 -2.154 -9.134 4.147 1.00 0.00 N ATOM 309 CA GLY A 21 -1.225 -9.139 5.262 1.00 0.00 C ATOM 310 C GLY A 21 -0.767 -7.744 5.643 1.00 0.00 C ATOM 311 O GLY A 21 -0.743 -7.392 6.823 1.00 0.00 O ATOM 0 H GLY A 21 -1.745 -9.384 3.247 1.00 0.00 H new ATOM 0 HA2 GLY A 21 -1.699 -9.610 6.123 1.00 0.00 H new ATOM 0 HA3 GLY A 21 -0.357 -9.745 5.004 1.00 0.00 H new ATOM 315 N LEU A 22 -0.404 -6.947 4.642 1.00 0.00 N ATOM 316 CA LEU A 22 0.055 -5.583 4.879 1.00 0.00 C ATOM 317 C LEU A 22 -1.006 -4.770 5.613 1.00 0.00 C ATOM 318 O LEU A 22 -2.200 -4.911 5.355 1.00 0.00 O ATOM 319 CB LEU A 22 0.407 -4.904 3.553 1.00 0.00 C ATOM 320 CG LEU A 22 -0.700 -4.930 2.497 1.00 0.00 C ATOM 321 CD1 LEU A 22 -1.659 -3.768 2.700 1.00 0.00 C ATOM 322 CD2 LEU A 22 -0.102 -4.894 1.098 1.00 0.00 C ATOM 0 H LEU A 22 -0.419 -7.222 3.660 1.00 0.00 H new ATOM 0 HA LEU A 22 0.947 -5.630 5.504 1.00 0.00 H new ATOM 0 HB2 LEU A 22 0.672 -3.866 3.753 1.00 0.00 H new ATOM 0 HB3 LEU A 22 1.293 -5.386 3.140 1.00 0.00 H new ATOM 0 HG LEU A 22 -1.260 -5.859 2.607 1.00 0.00 H new ATOM 0 HD11 LEU A 22 -2.439 -3.803 1.940 1.00 0.00 H new ATOM 0 HD12 LEU A 22 -2.112 -3.839 3.689 1.00 0.00 H new ATOM 0 HD13 LEU A 22 -1.114 -2.828 2.617 1.00 0.00 H new ATOM 0 HD21 LEU A 22 -0.903 -4.913 0.359 1.00 0.00 H new ATOM 0 HD22 LEU A 22 0.483 -3.982 0.976 1.00 0.00 H new ATOM 0 HD23 LEU A 22 0.543 -5.761 0.956 1.00 0.00 H new ATOM 334 N THR A 23 -0.559 -3.919 6.533 1.00 0.00 N ATOM 335 CA THR A 23 -1.470 -3.084 7.307 1.00 0.00 C ATOM 336 C THR A 23 -1.100 -1.610 7.179 1.00 0.00 C ATOM 337 O THR A 23 0.077 -1.261 7.095 1.00 0.00 O ATOM 338 CB THR A 23 -1.451 -3.500 8.778 1.00 0.00 C ATOM 339 OG1 THR A 23 -1.108 -4.869 8.909 1.00 0.00 O ATOM 340 CG2 THR A 23 -2.776 -3.291 9.477 1.00 0.00 C ATOM 0 H THR A 23 0.427 -3.790 6.760 1.00 0.00 H new ATOM 0 HA THR A 23 -2.476 -3.223 6.910 1.00 0.00 H new ATOM 0 HB THR A 23 -0.705 -2.859 9.248 1.00 0.00 H new ATOM 0 HG1 THR A 23 -0.139 -4.953 9.032 1.00 0.00 H new ATOM 0 HG21 THR A 23 -2.692 -3.607 10.517 1.00 0.00 H new ATOM 0 HG22 THR A 23 -3.045 -2.235 9.439 1.00 0.00 H new ATOM 0 HG23 THR A 23 -3.547 -3.880 8.980 1.00 0.00 H new ATOM 348 N VAL A 24 -2.113 -0.749 7.167 1.00 0.00 N ATOM 349 CA VAL A 24 -1.895 0.688 7.051 1.00 0.00 C ATOM 350 C VAL A 24 -2.500 1.430 8.238 1.00 0.00 C ATOM 351 O VAL A 24 -3.417 0.934 8.890 1.00 0.00 O ATOM 352 CB VAL A 24 -2.503 1.245 5.750 1.00 0.00 C ATOM 353 CG1 VAL A 24 -1.788 0.671 4.538 1.00 0.00 C ATOM 354 CG2 VAL A 24 -3.995 0.950 5.688 1.00 0.00 C ATOM 0 H VAL A 24 -3.093 -1.022 7.236 1.00 0.00 H new ATOM 0 HA VAL A 24 -0.817 0.845 7.036 1.00 0.00 H new ATOM 0 HB VAL A 24 -2.370 2.327 5.743 1.00 0.00 H new ATOM 0 HG11 VAL A 24 -2.231 1.076 3.628 1.00 0.00 H new ATOM 0 HG12 VAL A 24 -0.732 0.939 4.578 1.00 0.00 H new ATOM 0 HG13 VAL A 24 -1.887 -0.415 4.538 1.00 0.00 H new ATOM 0 HG21 VAL A 24 -4.407 1.351 4.762 1.00 0.00 H new ATOM 0 HG22 VAL A 24 -4.154 -0.128 5.719 1.00 0.00 H new ATOM 0 HG23 VAL A 24 -4.494 1.415 6.538 1.00 0.00 H new ATOM 364 N SER A 25 -1.980 2.622 8.514 1.00 0.00 N ATOM 365 CA SER A 25 -2.472 3.430 9.624 1.00 0.00 C ATOM 366 C SER A 25 -2.320 4.917 9.324 1.00 0.00 C ATOM 367 O SER A 25 -1.259 5.370 8.892 1.00 0.00 O ATOM 368 CB SER A 25 -1.722 3.078 10.910 1.00 0.00 C ATOM 369 OG SER A 25 -2.400 2.069 11.636 1.00 0.00 O ATOM 0 H SER A 25 -1.219 3.049 7.985 1.00 0.00 H new ATOM 0 HA SER A 25 -3.531 3.212 9.758 1.00 0.00 H new ATOM 0 HB2 SER A 25 -0.715 2.740 10.666 1.00 0.00 H new ATOM 0 HB3 SER A 25 -1.618 3.969 11.530 1.00 0.00 H new ATOM 0 HG SER A 25 -2.873 1.479 11.013 1.00 0.00 H new ATOM 375 N GLY A 26 -3.386 5.677 9.556 1.00 0.00 N ATOM 376 CA GLY A 26 -3.349 7.105 9.305 1.00 0.00 C ATOM 377 C GLY A 26 -4.722 7.743 9.364 1.00 0.00 C ATOM 378 O GLY A 26 -5.636 7.330 8.649 1.00 0.00 O ATOM 0 H GLY A 26 -4.275 5.328 9.914 1.00 0.00 H new ATOM 0 HA2 GLY A 26 -2.699 7.582 10.038 1.00 0.00 H new ATOM 0 HA3 GLY A 26 -2.910 7.286 8.324 1.00 0.00 H new ATOM 382 N ASP A 27 -4.870 8.753 10.215 1.00 0.00 N ATOM 383 CA ASP A 27 -6.144 9.449 10.361 1.00 0.00 C ATOM 384 C ASP A 27 -6.569 10.081 9.039 1.00 0.00 C ATOM 385 O ASP A 27 -7.413 9.542 8.326 1.00 0.00 O ATOM 386 CB ASP A 27 -6.044 10.522 11.448 1.00 0.00 C ATOM 387 CG ASP A 27 -6.511 10.018 12.801 1.00 0.00 C ATOM 388 OD1 ASP A 27 -6.391 8.801 13.055 1.00 0.00 O ATOM 389 OD2 ASP A 27 -6.999 10.841 13.604 1.00 0.00 O ATOM 0 H ASP A 27 -4.124 9.108 10.814 1.00 0.00 H new ATOM 0 HA ASP A 27 -6.899 8.719 10.654 1.00 0.00 H new ATOM 0 HB2 ASP A 27 -5.011 10.861 11.526 1.00 0.00 H new ATOM 0 HB3 ASP A 27 -6.642 11.386 11.159 1.00 0.00 H new ATOM 394 N ASN A 28 -5.974 11.226 8.716 1.00 0.00 N ATOM 395 CA ASN A 28 -6.290 11.928 7.478 1.00 0.00 C ATOM 396 C ASN A 28 -5.656 11.222 6.281 1.00 0.00 C ATOM 397 O ASN A 28 -6.356 10.772 5.374 1.00 0.00 O ATOM 398 CB ASN A 28 -5.807 13.378 7.550 1.00 0.00 C ATOM 399 CG ASN A 28 -6.909 14.336 7.955 1.00 0.00 C ATOM 400 OD1 ASN A 28 -7.960 13.919 8.445 1.00 0.00 O ATOM 401 ND2 ASN A 28 -6.676 15.627 7.754 1.00 0.00 N ATOM 0 H ASN A 28 -5.271 11.686 9.294 1.00 0.00 H new ATOM 0 HA ASN A 28 -7.372 11.923 7.349 1.00 0.00 H new ATOM 0 HB2 ASN A 28 -4.987 13.450 8.264 1.00 0.00 H new ATOM 0 HB3 ASN A 28 -5.411 13.674 6.579 1.00 0.00 H new ATOM 0 HD21 ASN A 28 -7.382 16.318 8.008 1.00 0.00 H new ATOM 0 HD22 ASN A 28 -5.791 15.928 7.345 1.00 0.00 H new ATOM 408 N PRO A 29 -4.316 11.113 6.264 1.00 0.00 N ATOM 409 CA PRO A 29 -3.590 10.456 5.175 1.00 0.00 C ATOM 410 C PRO A 29 -3.703 8.936 5.242 1.00 0.00 C ATOM 411 O PRO A 29 -4.514 8.397 5.994 1.00 0.00 O ATOM 412 CB PRO A 29 -2.145 10.896 5.404 1.00 0.00 C ATOM 413 CG PRO A 29 -2.051 11.121 6.872 1.00 0.00 C ATOM 414 CD PRO A 29 -3.403 11.622 7.308 1.00 0.00 C ATOM 0 HA PRO A 29 -3.983 10.727 4.195 1.00 0.00 H new ATOM 0 HB2 PRO A 29 -1.441 10.132 5.074 1.00 0.00 H new ATOM 0 HB3 PRO A 29 -1.914 11.805 4.848 1.00 0.00 H new ATOM 0 HG2 PRO A 29 -1.792 10.198 7.391 1.00 0.00 H new ATOM 0 HG3 PRO A 29 -1.273 11.848 7.105 1.00 0.00 H new ATOM 0 HD2 PRO A 29 -3.672 11.244 8.294 1.00 0.00 H new ATOM 0 HD3 PRO A 29 -3.428 12.710 7.366 1.00 0.00 H new ATOM 422 N VAL A 30 -2.884 8.252 4.450 1.00 0.00 N ATOM 423 CA VAL A 30 -2.893 6.795 4.423 1.00 0.00 C ATOM 424 C VAL A 30 -1.529 6.247 4.011 1.00 0.00 C ATOM 425 O VAL A 30 -1.108 6.398 2.865 1.00 0.00 O ATOM 426 CB VAL A 30 -3.965 6.257 3.455 1.00 0.00 C ATOM 427 CG1 VAL A 30 -4.066 4.740 3.550 1.00 0.00 C ATOM 428 CG2 VAL A 30 -5.311 6.908 3.737 1.00 0.00 C ATOM 0 H VAL A 30 -2.207 8.683 3.820 1.00 0.00 H new ATOM 0 HA VAL A 30 -3.128 6.460 5.433 1.00 0.00 H new ATOM 0 HB VAL A 30 -3.668 6.511 2.437 1.00 0.00 H new ATOM 0 HG11 VAL A 30 -4.829 4.382 2.858 1.00 0.00 H new ATOM 0 HG12 VAL A 30 -3.105 4.295 3.293 1.00 0.00 H new ATOM 0 HG13 VAL A 30 -4.337 4.456 4.567 1.00 0.00 H new ATOM 0 HG21 VAL A 30 -6.057 6.517 3.045 1.00 0.00 H new ATOM 0 HG22 VAL A 30 -5.615 6.687 4.760 1.00 0.00 H new ATOM 0 HG23 VAL A 30 -5.227 7.987 3.608 1.00 0.00 H new ATOM 438 N PHE A 31 -0.845 5.611 4.955 1.00 0.00 N ATOM 439 CA PHE A 31 0.471 5.040 4.692 1.00 0.00 C ATOM 440 C PHE A 31 0.589 3.641 5.289 1.00 0.00 C ATOM 441 O PHE A 31 0.083 3.376 6.379 1.00 0.00 O ATOM 442 CB PHE A 31 1.565 5.944 5.265 1.00 0.00 C ATOM 443 CG PHE A 31 1.509 6.084 6.759 1.00 0.00 C ATOM 444 CD1 PHE A 31 2.133 5.157 7.579 1.00 0.00 C ATOM 445 CD2 PHE A 31 0.831 7.142 7.344 1.00 0.00 C ATOM 446 CE1 PHE A 31 2.083 5.284 8.954 1.00 0.00 C ATOM 447 CE2 PHE A 31 0.778 7.274 8.719 1.00 0.00 C ATOM 448 CZ PHE A 31 1.404 6.342 9.525 1.00 0.00 C ATOM 0 H PHE A 31 -1.180 5.478 5.909 1.00 0.00 H new ATOM 0 HA PHE A 31 0.597 4.966 3.612 1.00 0.00 H new ATOM 0 HB2 PHE A 31 2.539 5.545 4.982 1.00 0.00 H new ATOM 0 HB3 PHE A 31 1.482 6.932 4.813 1.00 0.00 H new ATOM 0 HD1 PHE A 31 2.664 4.326 7.138 1.00 0.00 H new ATOM 0 HD2 PHE A 31 0.338 7.872 6.718 1.00 0.00 H new ATOM 0 HE1 PHE A 31 2.575 4.556 9.582 1.00 0.00 H new ATOM 0 HE2 PHE A 31 0.248 8.104 9.163 1.00 0.00 H new ATOM 0 HZ PHE A 31 1.362 6.441 10.600 1.00 0.00 H new ATOM 458 N VAL A 32 1.261 2.750 4.566 1.00 0.00 N ATOM 459 CA VAL A 32 1.448 1.379 5.025 1.00 0.00 C ATOM 460 C VAL A 32 2.533 1.300 6.092 1.00 0.00 C ATOM 461 O VAL A 32 3.662 1.741 5.874 1.00 0.00 O ATOM 462 CB VAL A 32 1.818 0.441 3.860 1.00 0.00 C ATOM 463 CG1 VAL A 32 1.837 -1.008 4.323 1.00 0.00 C ATOM 464 CG2 VAL A 32 0.855 0.625 2.696 1.00 0.00 C ATOM 0 H VAL A 32 1.685 2.953 3.661 1.00 0.00 H new ATOM 0 HA VAL A 32 0.498 1.057 5.452 1.00 0.00 H new ATOM 0 HB VAL A 32 2.819 0.700 3.516 1.00 0.00 H new ATOM 0 HG11 VAL A 32 2.100 -1.654 3.486 1.00 0.00 H new ATOM 0 HG12 VAL A 32 2.573 -1.126 5.118 1.00 0.00 H new ATOM 0 HG13 VAL A 32 0.851 -1.283 4.698 1.00 0.00 H new ATOM 0 HG21 VAL A 32 1.134 -0.046 1.884 1.00 0.00 H new ATOM 0 HG22 VAL A 32 -0.159 0.397 3.023 1.00 0.00 H new ATOM 0 HG23 VAL A 32 0.900 1.656 2.346 1.00 0.00 H new ATOM 474 N GLN A 33 2.186 0.740 7.245 1.00 0.00 N ATOM 475 CA GLN A 33 3.132 0.606 8.346 1.00 0.00 C ATOM 476 C GLN A 33 3.807 -0.763 8.323 1.00 0.00 C ATOM 477 O GLN A 33 5.015 -0.874 8.534 1.00 0.00 O ATOM 478 CB GLN A 33 2.423 0.815 9.684 1.00 0.00 C ATOM 479 CG GLN A 33 1.356 -0.228 9.978 1.00 0.00 C ATOM 480 CD GLN A 33 0.576 0.078 11.243 1.00 0.00 C ATOM 481 OE1 GLN A 33 0.928 0.982 12.000 1.00 0.00 O ATOM 482 NE2 GLN A 33 -0.491 -0.678 11.476 1.00 0.00 N ATOM 0 H GLN A 33 1.256 0.371 7.442 1.00 0.00 H new ATOM 0 HA GLN A 33 3.899 1.371 8.226 1.00 0.00 H new ATOM 0 HB2 GLN A 33 3.163 0.801 10.484 1.00 0.00 H new ATOM 0 HB3 GLN A 33 1.964 1.804 9.692 1.00 0.00 H new ATOM 0 HG2 GLN A 33 0.667 -0.285 9.135 1.00 0.00 H new ATOM 0 HG3 GLN A 33 1.826 -1.207 10.073 1.00 0.00 H new ATOM 0 HE21 GLN A 33 -0.746 -1.417 10.820 1.00 0.00 H new ATOM 0 HE22 GLN A 33 -1.056 -0.520 12.311 1.00 0.00 H new ATOM 491 N SER A 34 3.019 -1.801 8.066 1.00 0.00 N ATOM 492 CA SER A 34 3.541 -3.162 8.015 1.00 0.00 C ATOM 493 C SER A 34 3.243 -3.810 6.666 1.00 0.00 C ATOM 494 O SER A 34 2.275 -3.452 5.995 1.00 0.00 O ATOM 495 CB SER A 34 2.938 -4.004 9.140 1.00 0.00 C ATOM 496 OG SER A 34 1.526 -3.881 9.170 1.00 0.00 O ATOM 0 H SER A 34 2.017 -1.726 7.890 1.00 0.00 H new ATOM 0 HA SER A 34 4.622 -3.114 8.144 1.00 0.00 H new ATOM 0 HB2 SER A 34 3.212 -5.050 9.002 1.00 0.00 H new ATOM 0 HB3 SER A 34 3.354 -3.689 10.097 1.00 0.00 H new ATOM 0 HG SER A 34 1.206 -3.567 8.298 1.00 0.00 H new ATOM 502 N VAL A 35 4.080 -4.764 6.274 1.00 0.00 N ATOM 503 CA VAL A 35 3.904 -5.461 5.005 1.00 0.00 C ATOM 504 C VAL A 35 4.120 -6.961 5.168 1.00 0.00 C ATOM 505 O VAL A 35 4.990 -7.396 5.924 1.00 0.00 O ATOM 506 CB VAL A 35 4.872 -4.927 3.932 1.00 0.00 C ATOM 507 CG1 VAL A 35 4.555 -3.477 3.599 1.00 0.00 C ATOM 508 CG2 VAL A 35 6.315 -5.072 4.392 1.00 0.00 C ATOM 0 H VAL A 35 4.887 -5.072 6.816 1.00 0.00 H new ATOM 0 HA VAL A 35 2.879 -5.277 4.682 1.00 0.00 H new ATOM 0 HB VAL A 35 4.742 -5.520 3.027 1.00 0.00 H new ATOM 0 HG11 VAL A 35 5.249 -3.118 2.839 1.00 0.00 H new ATOM 0 HG12 VAL A 35 3.535 -3.405 3.221 1.00 0.00 H new ATOM 0 HG13 VAL A 35 4.653 -2.868 4.497 1.00 0.00 H new ATOM 0 HG21 VAL A 35 6.983 -4.689 3.620 1.00 0.00 H new ATOM 0 HG22 VAL A 35 6.462 -4.507 5.312 1.00 0.00 H new ATOM 0 HG23 VAL A 35 6.535 -6.124 4.573 1.00 0.00 H new ATOM 518 N LYS A 36 3.324 -7.749 4.452 1.00 0.00 N ATOM 519 CA LYS A 36 3.427 -9.201 4.516 1.00 0.00 C ATOM 520 C LYS A 36 4.728 -9.686 3.887 1.00 0.00 C ATOM 521 O LYS A 36 4.835 -9.800 2.666 1.00 0.00 O ATOM 522 CB LYS A 36 2.235 -9.849 3.810 1.00 0.00 C ATOM 523 CG LYS A 36 2.004 -11.298 4.209 1.00 0.00 C ATOM 524 CD LYS A 36 1.576 -11.415 5.662 1.00 0.00 C ATOM 525 CE LYS A 36 0.472 -12.447 5.837 1.00 0.00 C ATOM 526 NZ LYS A 36 -0.434 -12.104 6.968 1.00 0.00 N ATOM 0 H LYS A 36 2.600 -7.405 3.821 1.00 0.00 H new ATOM 0 HA LYS A 36 3.423 -9.492 5.566 1.00 0.00 H new ATOM 0 HB2 LYS A 36 1.336 -9.273 4.030 1.00 0.00 H new ATOM 0 HB3 LYS A 36 2.390 -9.798 2.732 1.00 0.00 H new ATOM 0 HG2 LYS A 36 1.239 -11.736 3.567 1.00 0.00 H new ATOM 0 HG3 LYS A 36 2.918 -11.870 4.051 1.00 0.00 H new ATOM 0 HD2 LYS A 36 2.434 -11.692 6.274 1.00 0.00 H new ATOM 0 HD3 LYS A 36 1.229 -10.445 6.019 1.00 0.00 H new ATOM 0 HE2 LYS A 36 -0.107 -12.519 4.917 1.00 0.00 H new ATOM 0 HE3 LYS A 36 0.916 -13.427 6.011 1.00 0.00 H new ATOM 0 HZ1 LYS A 36 -1.395 -12.439 6.757 1.00 0.00 H new ATOM 0 HZ2 LYS A 36 -0.092 -12.560 7.838 1.00 0.00 H new ATOM 0 HZ3 LYS A 36 -0.448 -11.073 7.101 1.00 0.00 H new ATOM 540 N GLU A 37 5.718 -9.970 4.728 1.00 0.00 N ATOM 541 CA GLU A 37 7.013 -10.442 4.251 1.00 0.00 C ATOM 542 C GLU A 37 6.898 -11.848 3.672 1.00 0.00 C ATOM 543 O GLU A 37 6.341 -12.747 4.303 1.00 0.00 O ATOM 544 CB GLU A 37 8.035 -10.429 5.390 1.00 0.00 C ATOM 545 CG GLU A 37 7.616 -11.257 6.594 1.00 0.00 C ATOM 546 CD GLU A 37 7.988 -10.601 7.909 1.00 0.00 C ATOM 547 OE1 GLU A 37 8.022 -9.354 7.962 1.00 0.00 O ATOM 548 OE2 GLU A 37 8.244 -11.336 8.887 1.00 0.00 O ATOM 0 H GLU A 37 5.648 -9.882 5.742 1.00 0.00 H new ATOM 0 HA GLU A 37 7.350 -9.769 3.462 1.00 0.00 H new ATOM 0 HB2 GLU A 37 8.988 -10.804 5.016 1.00 0.00 H new ATOM 0 HB3 GLU A 37 8.200 -9.399 5.707 1.00 0.00 H new ATOM 0 HG2 GLU A 37 6.538 -11.416 6.564 1.00 0.00 H new ATOM 0 HG3 GLU A 37 8.085 -12.239 6.536 1.00 0.00 H new ATOM 555 N ASP A 38 7.425 -12.031 2.466 1.00 0.00 N ATOM 556 CA ASP A 38 7.380 -13.328 1.801 1.00 0.00 C ATOM 557 C ASP A 38 5.938 -13.781 1.595 1.00 0.00 C ATOM 558 O ASP A 38 5.641 -14.976 1.630 1.00 0.00 O ATOM 559 CB ASP A 38 8.144 -14.371 2.617 1.00 0.00 C ATOM 560 CG ASP A 38 8.883 -15.362 1.739 1.00 0.00 C ATOM 561 OD1 ASP A 38 8.247 -15.946 0.837 1.00 0.00 O ATOM 562 OD2 ASP A 38 10.098 -15.554 1.954 1.00 0.00 O ATOM 0 H ASP A 38 7.888 -11.298 1.929 1.00 0.00 H new ATOM 0 HA ASP A 38 7.854 -13.225 0.825 1.00 0.00 H new ATOM 0 HB2 ASP A 38 8.856 -13.867 3.271 1.00 0.00 H new ATOM 0 HB3 ASP A 38 7.446 -14.908 3.260 1.00 0.00 H new ATOM 567 N GLY A 39 5.047 -12.820 1.381 1.00 0.00 N ATOM 568 CA GLY A 39 3.646 -13.138 1.172 1.00 0.00 C ATOM 569 C GLY A 39 3.045 -12.376 0.008 1.00 0.00 C ATOM 570 O GLY A 39 3.750 -12.009 -0.933 1.00 0.00 O ATOM 0 H GLY A 39 5.270 -11.825 1.348 1.00 0.00 H new ATOM 0 HA2 GLY A 39 3.542 -14.208 0.994 1.00 0.00 H new ATOM 0 HA3 GLY A 39 3.086 -12.910 2.079 1.00 0.00 H new ATOM 574 N ALA A 40 1.740 -12.136 0.070 1.00 0.00 N ATOM 575 CA ALA A 40 1.044 -11.412 -0.986 1.00 0.00 C ATOM 576 C ALA A 40 1.603 -10.001 -1.143 1.00 0.00 C ATOM 577 O ALA A 40 1.728 -9.493 -2.258 1.00 0.00 O ATOM 578 CB ALA A 40 -0.449 -11.361 -0.697 1.00 0.00 C ATOM 0 H ALA A 40 1.143 -12.433 0.842 1.00 0.00 H new ATOM 0 HA ALA A 40 1.203 -11.945 -1.923 1.00 0.00 H new ATOM 0 HB1 ALA A 40 -0.956 -10.817 -1.494 1.00 0.00 H new ATOM 0 HB2 ALA A 40 -0.844 -12.375 -0.642 1.00 0.00 H new ATOM 0 HB3 ALA A 40 -0.619 -10.854 0.253 1.00 0.00 H new ATOM 584 N ALA A 41 1.935 -9.374 -0.021 1.00 0.00 N ATOM 585 CA ALA A 41 2.481 -8.021 -0.034 1.00 0.00 C ATOM 586 C ALA A 41 3.861 -7.993 -0.679 1.00 0.00 C ATOM 587 O ALA A 41 4.142 -7.148 -1.531 1.00 0.00 O ATOM 588 CB ALA A 41 2.545 -7.465 1.380 1.00 0.00 C ATOM 0 H ALA A 41 1.836 -9.780 0.909 1.00 0.00 H new ATOM 0 HA ALA A 41 1.818 -7.393 -0.630 1.00 0.00 H new ATOM 0 HB1 ALA A 41 2.954 -6.455 1.356 1.00 0.00 H new ATOM 0 HB2 ALA A 41 1.542 -7.440 1.807 1.00 0.00 H new ATOM 0 HB3 ALA A 41 3.184 -8.101 1.992 1.00 0.00 H new ATOM 594 N MET A 42 4.721 -8.920 -0.271 1.00 0.00 N ATOM 595 CA MET A 42 6.074 -8.999 -0.810 1.00 0.00 C ATOM 596 C MET A 42 6.045 -9.284 -2.308 1.00 0.00 C ATOM 597 O MET A 42 6.874 -8.774 -3.063 1.00 0.00 O ATOM 598 CB MET A 42 6.870 -10.088 -0.089 1.00 0.00 C ATOM 599 CG MET A 42 8.375 -9.868 -0.129 1.00 0.00 C ATOM 600 SD MET A 42 9.235 -11.102 -1.125 1.00 0.00 S ATOM 601 CE MET A 42 10.821 -11.161 -0.294 1.00 0.00 C ATOM 0 H MET A 42 4.505 -9.627 0.431 1.00 0.00 H new ATOM 0 HA MET A 42 6.560 -8.037 -0.649 1.00 0.00 H new ATOM 0 HB2 MET A 42 6.545 -10.136 0.950 1.00 0.00 H new ATOM 0 HB3 MET A 42 6.640 -11.053 -0.540 1.00 0.00 H new ATOM 0 HG2 MET A 42 8.582 -8.876 -0.530 1.00 0.00 H new ATOM 0 HG3 MET A 42 8.768 -9.890 0.887 1.00 0.00 H new ATOM 0 HE1 MET A 42 11.467 -11.882 -0.794 1.00 0.00 H new ATOM 0 HE2 MET A 42 11.285 -10.175 -0.325 1.00 0.00 H new ATOM 0 HE3 MET A 42 10.677 -11.462 0.744 1.00 0.00 H new ATOM 611 N ARG A 43 5.086 -10.099 -2.732 1.00 0.00 N ATOM 612 CA ARG A 43 4.948 -10.451 -4.141 1.00 0.00 C ATOM 613 C ARG A 43 4.374 -9.286 -4.941 1.00 0.00 C ATOM 614 O ARG A 43 4.681 -9.118 -6.119 1.00 0.00 O ATOM 615 CB ARG A 43 4.053 -11.682 -4.295 1.00 0.00 C ATOM 616 CG ARG A 43 4.510 -12.631 -5.392 1.00 0.00 C ATOM 617 CD ARG A 43 4.674 -14.051 -4.869 1.00 0.00 C ATOM 618 NE ARG A 43 4.550 -15.043 -5.934 1.00 0.00 N ATOM 619 CZ ARG A 43 4.989 -16.296 -5.835 1.00 0.00 C ATOM 620 NH1 ARG A 43 5.581 -16.713 -4.723 1.00 0.00 N ATOM 621 NH2 ARG A 43 4.836 -17.135 -6.851 1.00 0.00 N ATOM 0 H ARG A 43 4.392 -10.529 -2.120 1.00 0.00 H new ATOM 0 HA ARG A 43 5.940 -10.680 -4.531 1.00 0.00 H new ATOM 0 HB2 ARG A 43 4.024 -12.221 -3.348 1.00 0.00 H new ATOM 0 HB3 ARG A 43 3.035 -11.357 -4.508 1.00 0.00 H new ATOM 0 HG2 ARG A 43 3.785 -12.624 -6.206 1.00 0.00 H new ATOM 0 HG3 ARG A 43 5.457 -12.283 -5.805 1.00 0.00 H new ATOM 0 HD2 ARG A 43 5.649 -14.151 -4.391 1.00 0.00 H new ATOM 0 HD3 ARG A 43 3.923 -14.245 -4.104 1.00 0.00 H new ATOM 0 HE ARG A 43 4.101 -14.759 -6.805 1.00 0.00 H new ATOM 0 HH11 ARG A 43 5.702 -16.072 -3.938 1.00 0.00 H new ATOM 0 HH12 ARG A 43 5.915 -17.674 -4.653 1.00 0.00 H new ATOM 0 HH21 ARG A 43 4.382 -16.820 -7.708 1.00 0.00 H new ATOM 0 HH22 ARG A 43 5.172 -18.095 -6.775 1.00 0.00 H new ATOM 635 N ALA A 44 3.539 -8.482 -4.289 1.00 0.00 N ATOM 636 CA ALA A 44 2.922 -7.332 -4.938 1.00 0.00 C ATOM 637 C ALA A 44 3.897 -6.160 -5.042 1.00 0.00 C ATOM 638 O ALA A 44 3.668 -5.218 -5.802 1.00 0.00 O ATOM 639 CB ALA A 44 1.671 -6.910 -4.182 1.00 0.00 C ATOM 0 H ALA A 44 3.275 -8.607 -3.312 1.00 0.00 H new ATOM 0 HA ALA A 44 2.645 -7.628 -5.950 1.00 0.00 H new ATOM 0 HB1 ALA A 44 1.220 -6.050 -4.677 1.00 0.00 H new ATOM 0 HB2 ALA A 44 0.959 -7.735 -4.167 1.00 0.00 H new ATOM 0 HB3 ALA A 44 1.937 -6.642 -3.159 1.00 0.00 H new ATOM 645 N GLY A 45 4.984 -6.220 -4.277 1.00 0.00 N ATOM 646 CA GLY A 45 5.969 -5.156 -4.304 1.00 0.00 C ATOM 647 C GLY A 45 5.622 -4.017 -3.365 1.00 0.00 C ATOM 648 O GLY A 45 5.603 -2.855 -3.768 1.00 0.00 O ATOM 0 H GLY A 45 5.199 -6.987 -3.640 1.00 0.00 H new ATOM 0 HA2 GLY A 45 6.944 -5.561 -4.033 1.00 0.00 H new ATOM 0 HA3 GLY A 45 6.055 -4.771 -5.320 1.00 0.00 H new ATOM 652 N VAL A 46 5.349 -4.352 -2.108 1.00 0.00 N ATOM 653 CA VAL A 46 5.002 -3.349 -1.109 1.00 0.00 C ATOM 654 C VAL A 46 6.180 -3.076 -0.178 1.00 0.00 C ATOM 655 O VAL A 46 6.974 -3.971 0.113 1.00 0.00 O ATOM 656 CB VAL A 46 3.788 -3.787 -0.266 1.00 0.00 C ATOM 657 CG1 VAL A 46 3.270 -2.626 0.567 1.00 0.00 C ATOM 658 CG2 VAL A 46 2.688 -4.343 -1.160 1.00 0.00 C ATOM 0 H VAL A 46 5.361 -5.310 -1.758 1.00 0.00 H new ATOM 0 HA VAL A 46 4.747 -2.438 -1.650 1.00 0.00 H new ATOM 0 HB VAL A 46 4.107 -4.578 0.413 1.00 0.00 H new ATOM 0 HG11 VAL A 46 2.413 -2.954 1.155 1.00 0.00 H new ATOM 0 HG12 VAL A 46 4.057 -2.278 1.236 1.00 0.00 H new ATOM 0 HG13 VAL A 46 2.967 -1.812 -0.092 1.00 0.00 H new ATOM 0 HG21 VAL A 46 1.840 -4.647 -0.547 1.00 0.00 H new ATOM 0 HG22 VAL A 46 2.370 -3.575 -1.865 1.00 0.00 H new ATOM 0 HG23 VAL A 46 3.066 -5.205 -1.709 1.00 0.00 H new ATOM 668 N GLN A 47 6.287 -1.836 0.286 1.00 0.00 N ATOM 669 CA GLN A 47 7.369 -1.447 1.184 1.00 0.00 C ATOM 670 C GLN A 47 6.820 -0.954 2.519 1.00 0.00 C ATOM 671 O GLN A 47 5.726 -0.393 2.582 1.00 0.00 O ATOM 672 CB GLN A 47 8.227 -0.356 0.539 1.00 0.00 C ATOM 673 CG GLN A 47 8.840 -0.768 -0.790 1.00 0.00 C ATOM 674 CD GLN A 47 7.842 -0.722 -1.930 1.00 0.00 C ATOM 675 OE1 GLN A 47 7.211 0.432 -2.117 1.00 0.00 O flip ATOM 676 NE2 GLN A 47 7.641 -1.709 -2.637 1.00 0.00 N flip ATOM 0 H GLN A 47 5.638 -1.083 0.056 1.00 0.00 H new ATOM 0 HA GLN A 47 7.987 -2.326 1.369 1.00 0.00 H new ATOM 0 HB2 GLN A 47 7.615 0.533 0.387 1.00 0.00 H new ATOM 0 HB3 GLN A 47 9.026 -0.079 1.227 1.00 0.00 H new ATOM 0 HG2 GLN A 47 9.678 -0.110 -1.019 1.00 0.00 H new ATOM 0 HG3 GLN A 47 9.241 -1.778 -0.704 1.00 0.00 H new ATOM 0 HE21 GLN A 47 8.148 -2.576 -2.458 1.00 0.00 H new ATOM 0 HE22 GLN A 47 6.968 -1.660 -3.402 1.00 0.00 H new ATOM 685 N THR A 48 7.587 -1.168 3.584 1.00 0.00 N ATOM 686 CA THR A 48 7.178 -0.745 4.918 1.00 0.00 C ATOM 687 C THR A 48 7.282 0.769 5.066 1.00 0.00 C ATOM 688 O THR A 48 8.324 1.361 4.776 1.00 0.00 O ATOM 689 CB THR A 48 8.039 -1.434 5.979 1.00 0.00 C ATOM 690 OG1 THR A 48 8.596 -2.632 5.473 1.00 0.00 O ATOM 691 CG2 THR A 48 7.273 -1.780 7.238 1.00 0.00 C ATOM 0 H THR A 48 8.495 -1.632 3.548 1.00 0.00 H new ATOM 0 HA THR A 48 6.137 -1.034 5.060 1.00 0.00 H new ATOM 0 HB THR A 48 8.817 -0.714 6.232 1.00 0.00 H new ATOM 0 HG1 THR A 48 9.144 -3.056 6.166 1.00 0.00 H new ATOM 0 HG21 THR A 48 7.942 -2.266 7.949 1.00 0.00 H new ATOM 0 HG22 THR A 48 6.872 -0.869 7.682 1.00 0.00 H new ATOM 0 HG23 THR A 48 6.453 -2.455 6.991 1.00 0.00 H new ATOM 699 N GLY A 49 6.198 1.391 5.517 1.00 0.00 N ATOM 700 CA GLY A 49 6.190 2.831 5.696 1.00 0.00 C ATOM 701 C GLY A 49 6.017 3.576 4.386 1.00 0.00 C ATOM 702 O GLY A 49 6.585 4.653 4.198 1.00 0.00 O ATOM 0 H GLY A 49 5.325 0.924 5.762 1.00 0.00 H new ATOM 0 HA2 GLY A 49 5.383 3.105 6.376 1.00 0.00 H new ATOM 0 HA3 GLY A 49 7.123 3.141 6.167 1.00 0.00 H new ATOM 706 N ASP A 50 5.235 3.003 3.478 1.00 0.00 N ATOM 707 CA ASP A 50 4.990 3.621 2.179 1.00 0.00 C ATOM 708 C ASP A 50 3.760 4.522 2.229 1.00 0.00 C ATOM 709 O ASP A 50 2.833 4.281 3.001 1.00 0.00 O ATOM 710 CB ASP A 50 4.812 2.546 1.106 1.00 0.00 C ATOM 711 CG ASP A 50 5.677 2.797 -0.113 1.00 0.00 C ATOM 712 OD1 ASP A 50 6.768 3.383 0.044 1.00 0.00 O ATOM 713 OD2 ASP A 50 5.263 2.408 -1.226 1.00 0.00 O ATOM 0 H ASP A 50 4.760 2.111 3.617 1.00 0.00 H new ATOM 0 HA ASP A 50 5.854 4.235 1.926 1.00 0.00 H new ATOM 0 HB2 ASP A 50 5.058 1.571 1.528 1.00 0.00 H new ATOM 0 HB3 ASP A 50 3.765 2.508 0.804 1.00 0.00 H new ATOM 718 N ARG A 51 3.759 5.560 1.397 1.00 0.00 N ATOM 719 CA ARG A 51 2.642 6.496 1.345 1.00 0.00 C ATOM 720 C ARG A 51 1.610 6.052 0.315 1.00 0.00 C ATOM 721 O ARG A 51 1.960 5.641 -0.790 1.00 0.00 O ATOM 722 CB ARG A 51 3.143 7.903 1.011 1.00 0.00 C ATOM 723 CG ARG A 51 4.274 8.377 1.908 1.00 0.00 C ATOM 724 CD ARG A 51 5.183 9.359 1.187 1.00 0.00 C ATOM 725 NE ARG A 51 5.899 10.227 2.119 1.00 0.00 N ATOM 726 CZ ARG A 51 6.968 9.848 2.817 1.00 0.00 C ATOM 727 NH1 ARG A 51 7.448 8.616 2.688 1.00 0.00 N ATOM 728 NH2 ARG A 51 7.557 10.700 3.643 1.00 0.00 N ATOM 0 H ARG A 51 4.519 5.773 0.751 1.00 0.00 H new ATOM 0 HA ARG A 51 2.166 6.512 2.326 1.00 0.00 H new ATOM 0 HB2 ARG A 51 3.480 7.923 -0.025 1.00 0.00 H new ATOM 0 HB3 ARG A 51 2.311 8.603 1.089 1.00 0.00 H new ATOM 0 HG2 ARG A 51 3.860 8.850 2.799 1.00 0.00 H new ATOM 0 HG3 ARG A 51 4.857 7.519 2.244 1.00 0.00 H new ATOM 0 HD2 ARG A 51 5.901 8.809 0.579 1.00 0.00 H new ATOM 0 HD3 ARG A 51 4.590 9.969 0.506 1.00 0.00 H new ATOM 0 HE ARG A 51 5.560 11.181 2.243 1.00 0.00 H new ATOM 0 HH11 ARG A 51 6.998 7.957 2.053 1.00 0.00 H new ATOM 0 HH12 ARG A 51 8.267 8.329 3.224 1.00 0.00 H new ATOM 0 HH21 ARG A 51 7.192 11.647 3.745 1.00 0.00 H new ATOM 0 HH22 ARG A 51 8.376 10.409 4.177 1.00 0.00 H new ATOM 742 N ILE A 52 0.335 6.137 0.686 1.00 0.00 N ATOM 743 CA ILE A 52 -0.747 5.744 -0.208 1.00 0.00 C ATOM 744 C ILE A 52 -1.352 6.957 -0.906 1.00 0.00 C ATOM 745 O ILE A 52 -1.846 7.878 -0.256 1.00 0.00 O ATOM 746 CB ILE A 52 -1.862 4.997 0.551 1.00 0.00 C ATOM 747 CG1 ILE A 52 -1.262 3.919 1.457 1.00 0.00 C ATOM 748 CG2 ILE A 52 -2.851 4.385 -0.429 1.00 0.00 C ATOM 749 CD1 ILE A 52 -0.587 2.797 0.699 1.00 0.00 C ATOM 0 H ILE A 52 0.028 6.474 1.598 1.00 0.00 H new ATOM 0 HA ILE A 52 -0.313 5.077 -0.953 1.00 0.00 H new ATOM 0 HB ILE A 52 -2.396 5.712 1.177 1.00 0.00 H new ATOM 0 HG12 ILE A 52 -0.537 4.381 2.127 1.00 0.00 H new ATOM 0 HG13 ILE A 52 -2.051 3.501 2.082 1.00 0.00 H new ATOM 0 HG21 ILE A 52 -3.632 3.861 0.122 1.00 0.00 H new ATOM 0 HG22 ILE A 52 -3.300 5.173 -1.033 1.00 0.00 H new ATOM 0 HG23 ILE A 52 -2.331 3.681 -1.079 1.00 0.00 H new ATOM 0 HD11 ILE A 52 -0.186 2.071 1.406 1.00 0.00 H new ATOM 0 HD12 ILE A 52 -1.313 2.308 0.049 1.00 0.00 H new ATOM 0 HD13 ILE A 52 0.225 3.203 0.095 1.00 0.00 H new ATOM 761 N ILE A 53 -1.311 6.950 -2.234 1.00 0.00 N ATOM 762 CA ILE A 53 -1.855 8.048 -3.022 1.00 0.00 C ATOM 763 C ILE A 53 -3.337 7.836 -3.307 1.00 0.00 C ATOM 764 O ILE A 53 -4.155 8.733 -3.101 1.00 0.00 O ATOM 765 CB ILE A 53 -1.106 8.209 -4.359 1.00 0.00 C ATOM 766 CG1 ILE A 53 0.406 8.245 -4.126 1.00 0.00 C ATOM 767 CG2 ILE A 53 -1.566 9.471 -5.075 1.00 0.00 C ATOM 768 CD1 ILE A 53 1.190 7.409 -5.113 1.00 0.00 C ATOM 0 H ILE A 53 -0.906 6.195 -2.787 1.00 0.00 H new ATOM 0 HA ILE A 53 -1.725 8.955 -2.431 1.00 0.00 H new ATOM 0 HB ILE A 53 -1.335 7.350 -4.990 1.00 0.00 H new ATOM 0 HG12 ILE A 53 0.750 9.278 -4.184 1.00 0.00 H new ATOM 0 HG13 ILE A 53 0.618 7.894 -3.116 1.00 0.00 H new ATOM 0 HG21 ILE A 53 -1.028 9.571 -6.018 1.00 0.00 H new ATOM 0 HG22 ILE A 53 -2.636 9.408 -5.273 1.00 0.00 H new ATOM 0 HG23 ILE A 53 -1.364 10.339 -4.448 1.00 0.00 H new ATOM 0 HD11 ILE A 53 2.254 7.482 -4.887 1.00 0.00 H new ATOM 0 HD12 ILE A 53 0.874 6.368 -5.040 1.00 0.00 H new ATOM 0 HD13 ILE A 53 1.008 7.773 -6.124 1.00 0.00 H new ATOM 780 N LYS A 54 -3.678 6.641 -3.781 1.00 0.00 N ATOM 781 CA LYS A 54 -5.063 6.311 -4.095 1.00 0.00 C ATOM 782 C LYS A 54 -5.266 4.799 -4.134 1.00 0.00 C ATOM 783 O LYS A 54 -4.305 4.036 -4.253 1.00 0.00 O ATOM 784 CB LYS A 54 -5.466 6.925 -5.436 1.00 0.00 C ATOM 785 CG LYS A 54 -4.425 6.735 -6.530 1.00 0.00 C ATOM 786 CD LYS A 54 -4.727 7.597 -7.745 1.00 0.00 C ATOM 787 CE LYS A 54 -4.895 6.756 -9.001 1.00 0.00 C ATOM 788 NZ LYS A 54 -3.626 6.642 -9.770 1.00 0.00 N ATOM 0 H LYS A 54 -3.014 5.886 -3.956 1.00 0.00 H new ATOM 0 HA LYS A 54 -5.695 6.726 -3.310 1.00 0.00 H new ATOM 0 HB2 LYS A 54 -6.407 6.482 -5.761 1.00 0.00 H new ATOM 0 HB3 LYS A 54 -5.646 7.991 -5.299 1.00 0.00 H new ATOM 0 HG2 LYS A 54 -3.438 6.986 -6.141 1.00 0.00 H new ATOM 0 HG3 LYS A 54 -4.394 5.686 -6.826 1.00 0.00 H new ATOM 0 HD2 LYS A 54 -5.636 8.172 -7.567 1.00 0.00 H new ATOM 0 HD3 LYS A 54 -3.920 8.315 -7.892 1.00 0.00 H new ATOM 0 HE2 LYS A 54 -5.243 5.760 -8.727 1.00 0.00 H new ATOM 0 HE3 LYS A 54 -5.664 7.199 -9.634 1.00 0.00 H new ATOM 0 HZ1 LYS A 54 -3.741 7.096 -10.699 1.00 0.00 H new ATOM 0 HZ2 LYS A 54 -2.860 7.112 -9.247 1.00 0.00 H new ATOM 0 HZ3 LYS A 54 -3.389 5.638 -9.902 1.00 0.00 H new ATOM 802 N VAL A 55 -6.520 4.373 -4.031 1.00 0.00 N ATOM 803 CA VAL A 55 -6.849 2.952 -4.054 1.00 0.00 C ATOM 804 C VAL A 55 -7.786 2.623 -5.212 1.00 0.00 C ATOM 805 O VAL A 55 -8.948 3.027 -5.217 1.00 0.00 O ATOM 806 CB VAL A 55 -7.506 2.503 -2.735 1.00 0.00 C ATOM 807 CG1 VAL A 55 -6.467 2.399 -1.630 1.00 0.00 C ATOM 808 CG2 VAL A 55 -8.620 3.461 -2.342 1.00 0.00 C ATOM 0 H VAL A 55 -7.325 4.991 -3.931 1.00 0.00 H new ATOM 0 HA VAL A 55 -5.910 2.414 -4.184 1.00 0.00 H new ATOM 0 HB VAL A 55 -7.943 1.516 -2.884 1.00 0.00 H new ATOM 0 HG11 VAL A 55 -6.949 2.081 -0.706 1.00 0.00 H new ATOM 0 HG12 VAL A 55 -5.707 1.670 -1.912 1.00 0.00 H new ATOM 0 HG13 VAL A 55 -5.998 3.371 -1.478 1.00 0.00 H new ATOM 0 HG21 VAL A 55 -9.073 3.129 -1.408 1.00 0.00 H new ATOM 0 HG22 VAL A 55 -8.209 4.462 -2.210 1.00 0.00 H new ATOM 0 HG23 VAL A 55 -9.377 3.480 -3.126 1.00 0.00 H new ATOM 818 N ASN A 56 -7.270 1.888 -6.192 1.00 0.00 N ATOM 819 CA ASN A 56 -8.061 1.505 -7.357 1.00 0.00 C ATOM 820 C ASN A 56 -8.560 2.737 -8.105 1.00 0.00 C ATOM 821 O ASN A 56 -9.704 2.782 -8.555 1.00 0.00 O ATOM 822 CB ASN A 56 -9.244 0.634 -6.930 1.00 0.00 C ATOM 823 CG ASN A 56 -9.439 -0.562 -7.840 1.00 0.00 C ATOM 824 OD1 ASN A 56 -8.562 -1.419 -7.955 1.00 0.00 O ATOM 825 ND2 ASN A 56 -10.593 -0.627 -8.495 1.00 0.00 N ATOM 0 H ASN A 56 -6.309 1.546 -6.203 1.00 0.00 H new ATOM 0 HA ASN A 56 -7.422 0.932 -8.029 1.00 0.00 H new ATOM 0 HB2 ASN A 56 -9.087 0.288 -5.908 1.00 0.00 H new ATOM 0 HB3 ASN A 56 -10.152 1.236 -6.926 1.00 0.00 H new ATOM 0 HD21 ASN A 56 -10.780 -1.409 -9.123 1.00 0.00 H new ATOM 0 HD22 ASN A 56 -11.292 0.105 -8.370 1.00 0.00 H new ATOM 832 N GLY A 57 -7.691 3.734 -8.236 1.00 0.00 N ATOM 833 CA GLY A 57 -8.061 4.953 -8.930 1.00 0.00 C ATOM 834 C GLY A 57 -9.091 5.764 -8.170 1.00 0.00 C ATOM 835 O GLY A 57 -9.873 6.504 -8.767 1.00 0.00 O ATOM 0 H GLY A 57 -6.738 3.719 -7.874 1.00 0.00 H new ATOM 0 HA2 GLY A 57 -7.170 5.561 -9.090 1.00 0.00 H new ATOM 0 HA3 GLY A 57 -8.456 4.701 -9.914 1.00 0.00 H new ATOM 839 N THR A 58 -9.093 5.626 -6.849 1.00 0.00 N ATOM 840 CA THR A 58 -10.035 6.353 -6.005 1.00 0.00 C ATOM 841 C THR A 58 -9.328 6.964 -4.800 1.00 0.00 C ATOM 842 O THR A 58 -8.812 6.248 -3.942 1.00 0.00 O ATOM 843 CB THR A 58 -11.155 5.423 -5.537 1.00 0.00 C ATOM 844 OG1 THR A 58 -11.681 4.684 -6.625 1.00 0.00 O ATOM 845 CG2 THR A 58 -12.304 6.154 -4.878 1.00 0.00 C ATOM 0 H THR A 58 -8.453 5.017 -6.339 1.00 0.00 H new ATOM 0 HA THR A 58 -10.466 7.160 -6.597 1.00 0.00 H new ATOM 0 HB THR A 58 -10.695 4.765 -4.800 1.00 0.00 H new ATOM 0 HG1 THR A 58 -12.395 4.094 -6.305 1.00 0.00 H new ATOM 0 HG21 THR A 58 -13.064 5.435 -4.570 1.00 0.00 H new ATOM 0 HG22 THR A 58 -11.939 6.693 -4.004 1.00 0.00 H new ATOM 0 HG23 THR A 58 -12.739 6.861 -5.585 1.00 0.00 H new ATOM 945 N HIS A 65 -10.131 4.507 9.433 1.00 0.00 N ATOM 946 CA HIS A 65 -9.405 3.313 9.019 1.00 0.00 C ATOM 947 C HIS A 65 -10.365 2.249 8.495 1.00 0.00 C ATOM 948 O HIS A 65 -10.070 1.552 7.522 1.00 0.00 O ATOM 949 CB HIS A 65 -8.595 2.753 10.189 1.00 0.00 C ATOM 950 CG HIS A 65 -7.542 1.771 9.776 1.00 0.00 C ATOM 951 ND1 HIS A 65 -7.514 1.175 8.532 1.00 0.00 N ATOM 952 CD2 HIS A 65 -6.476 1.279 10.450 1.00 0.00 C ATOM 953 CE1 HIS A 65 -6.477 0.360 8.459 1.00 0.00 C ATOM 954 NE2 HIS A 65 -5.831 0.405 9.610 1.00 0.00 N ATOM 0 HA HIS A 65 -8.724 3.591 8.215 1.00 0.00 H new ATOM 0 HB2 HIS A 65 -8.121 3.579 10.720 1.00 0.00 H new ATOM 0 HB3 HIS A 65 -9.274 2.270 10.892 1.00 0.00 H new ATOM 0 HD1 HIS A 65 -8.189 1.338 7.785 1.00 0.00 H new ATOM 0 HD2 HIS A 65 -6.187 1.528 11.460 1.00 0.00 H new ATOM 0 HE1 HIS A 65 -6.204 -0.241 7.604 1.00 0.00 H new ATOM 0 HE2 HIS A 65 -4.989 -0.124 9.838 1.00 0.00 H new ATOM 963 N LEU A 66 -11.520 2.133 9.145 1.00 0.00 N ATOM 964 CA LEU A 66 -12.529 1.158 8.744 1.00 0.00 C ATOM 965 C LEU A 66 -12.903 1.344 7.278 1.00 0.00 C ATOM 966 O LEU A 66 -13.035 0.372 6.534 1.00 0.00 O ATOM 967 CB LEU A 66 -13.773 1.287 9.625 1.00 0.00 C ATOM 968 CG LEU A 66 -14.436 -0.039 10.005 1.00 0.00 C ATOM 969 CD1 LEU A 66 -14.994 0.027 11.418 1.00 0.00 C ATOM 970 CD2 LEU A 66 -15.534 -0.388 9.012 1.00 0.00 C ATOM 0 H LEU A 66 -11.780 2.702 9.951 1.00 0.00 H new ATOM 0 HA LEU A 66 -12.110 0.160 8.871 1.00 0.00 H new ATOM 0 HB2 LEU A 66 -13.500 1.814 10.539 1.00 0.00 H new ATOM 0 HB3 LEU A 66 -14.505 1.906 9.106 1.00 0.00 H new ATOM 0 HG LEU A 66 -13.680 -0.824 9.973 1.00 0.00 H new ATOM 0 HD11 LEU A 66 -15.461 -0.925 11.670 1.00 0.00 H new ATOM 0 HD12 LEU A 66 -14.185 0.231 12.120 1.00 0.00 H new ATOM 0 HD13 LEU A 66 -15.736 0.823 11.479 1.00 0.00 H new ATOM 0 HD21 LEU A 66 -15.995 -1.334 9.297 1.00 0.00 H new ATOM 0 HD22 LEU A 66 -16.289 0.398 9.013 1.00 0.00 H new ATOM 0 HD23 LEU A 66 -15.106 -0.479 8.014 1.00 0.00 H new ATOM 982 N GLU A 67 -13.064 2.597 6.868 1.00 0.00 N ATOM 983 CA GLU A 67 -13.412 2.905 5.488 1.00 0.00 C ATOM 984 C GLU A 67 -12.310 2.434 4.548 1.00 0.00 C ATOM 985 O GLU A 67 -12.581 1.834 3.508 1.00 0.00 O ATOM 986 CB GLU A 67 -13.645 4.407 5.316 1.00 0.00 C ATOM 987 CG GLU A 67 -14.970 4.886 5.884 1.00 0.00 C ATOM 988 CD GLU A 67 -15.487 6.130 5.186 1.00 0.00 C ATOM 989 OE1 GLU A 67 -14.658 6.917 4.685 1.00 0.00 O ATOM 990 OE2 GLU A 67 -16.721 6.317 5.144 1.00 0.00 O ATOM 0 H GLU A 67 -12.959 3.413 7.471 1.00 0.00 H new ATOM 0 HA GLU A 67 -14.334 2.380 5.240 1.00 0.00 H new ATOM 0 HB2 GLU A 67 -12.834 4.950 5.801 1.00 0.00 H new ATOM 0 HB3 GLU A 67 -13.604 4.653 4.255 1.00 0.00 H new ATOM 0 HG2 GLU A 67 -15.709 4.090 5.794 1.00 0.00 H new ATOM 0 HG3 GLU A 67 -14.852 5.093 6.948 1.00 0.00 H new ATOM 997 N VAL A 68 -11.063 2.698 4.930 1.00 0.00 N ATOM 998 CA VAL A 68 -9.922 2.284 4.126 1.00 0.00 C ATOM 999 C VAL A 68 -9.863 0.764 4.049 1.00 0.00 C ATOM 1000 O VAL A 68 -9.701 0.189 2.969 1.00 0.00 O ATOM 1001 CB VAL A 68 -8.597 2.813 4.709 1.00 0.00 C ATOM 1002 CG1 VAL A 68 -7.442 2.515 3.766 1.00 0.00 C ATOM 1003 CG2 VAL A 68 -8.691 4.304 4.992 1.00 0.00 C ATOM 0 H VAL A 68 -10.820 3.194 5.787 1.00 0.00 H new ATOM 0 HA VAL A 68 -10.052 2.704 3.129 1.00 0.00 H new ATOM 0 HB VAL A 68 -8.409 2.300 5.652 1.00 0.00 H new ATOM 0 HG11 VAL A 68 -6.515 2.896 4.194 1.00 0.00 H new ATOM 0 HG12 VAL A 68 -7.359 1.438 3.621 1.00 0.00 H new ATOM 0 HG13 VAL A 68 -7.623 2.997 2.805 1.00 0.00 H new ATOM 0 HG21 VAL A 68 -7.745 4.657 5.403 1.00 0.00 H new ATOM 0 HG22 VAL A 68 -8.906 4.837 4.066 1.00 0.00 H new ATOM 0 HG23 VAL A 68 -9.490 4.488 5.710 1.00 0.00 H new ATOM 1013 N VAL A 69 -10.016 0.119 5.201 1.00 0.00 N ATOM 1014 CA VAL A 69 -10.002 -1.336 5.267 1.00 0.00 C ATOM 1015 C VAL A 69 -11.131 -1.913 4.423 1.00 0.00 C ATOM 1016 O VAL A 69 -10.927 -2.849 3.649 1.00 0.00 O ATOM 1017 CB VAL A 69 -10.141 -1.839 6.717 1.00 0.00 C ATOM 1018 CG1 VAL A 69 -9.971 -3.349 6.778 1.00 0.00 C ATOM 1019 CG2 VAL A 69 -9.138 -1.141 7.625 1.00 0.00 C ATOM 0 H VAL A 69 -10.151 0.581 6.100 1.00 0.00 H new ATOM 0 HA VAL A 69 -9.041 -1.672 4.877 1.00 0.00 H new ATOM 0 HB VAL A 69 -11.143 -1.597 7.071 1.00 0.00 H new ATOM 0 HG11 VAL A 69 -10.072 -3.685 7.810 1.00 0.00 H new ATOM 0 HG12 VAL A 69 -10.735 -3.826 6.164 1.00 0.00 H new ATOM 0 HG13 VAL A 69 -8.984 -3.619 6.404 1.00 0.00 H new ATOM 0 HG21 VAL A 69 -9.252 -1.510 8.644 1.00 0.00 H new ATOM 0 HG22 VAL A 69 -8.126 -1.347 7.276 1.00 0.00 H new ATOM 0 HG23 VAL A 69 -9.317 -0.066 7.606 1.00 0.00 H new ATOM 1029 N LYS A 70 -12.321 -1.335 4.567 1.00 0.00 N ATOM 1030 CA LYS A 70 -13.480 -1.779 3.809 1.00 0.00 C ATOM 1031 C LYS A 70 -13.257 -1.531 2.323 1.00 0.00 C ATOM 1032 O LYS A 70 -13.637 -2.346 1.481 1.00 0.00 O ATOM 1033 CB LYS A 70 -14.739 -1.048 4.279 1.00 0.00 C ATOM 1034 CG LYS A 70 -15.299 -1.580 5.589 1.00 0.00 C ATOM 1035 CD LYS A 70 -16.722 -1.101 5.821 1.00 0.00 C ATOM 1036 CE LYS A 70 -16.789 0.414 5.924 1.00 0.00 C ATOM 1037 NZ LYS A 70 -17.194 1.040 4.636 1.00 0.00 N ATOM 0 H LYS A 70 -12.504 -0.558 5.202 1.00 0.00 H new ATOM 0 HA LYS A 70 -13.616 -2.848 3.975 1.00 0.00 H new ATOM 0 HB2 LYS A 70 -14.512 0.012 4.394 1.00 0.00 H new ATOM 0 HB3 LYS A 70 -15.505 -1.128 3.507 1.00 0.00 H new ATOM 0 HG2 LYS A 70 -15.278 -2.670 5.579 1.00 0.00 H new ATOM 0 HG3 LYS A 70 -14.666 -1.256 6.415 1.00 0.00 H new ATOM 0 HD2 LYS A 70 -17.359 -1.440 5.004 1.00 0.00 H new ATOM 0 HD3 LYS A 70 -17.113 -1.547 6.736 1.00 0.00 H new ATOM 0 HE2 LYS A 70 -17.498 0.694 6.703 1.00 0.00 H new ATOM 0 HE3 LYS A 70 -15.816 0.801 6.226 1.00 0.00 H new ATOM 0 HZ1 LYS A 70 -16.649 1.913 4.488 1.00 0.00 H new ATOM 0 HZ2 LYS A 70 -17.008 0.379 3.855 1.00 0.00 H new ATOM 0 HZ3 LYS A 70 -18.209 1.266 4.664 1.00 0.00 H new ATOM 1051 N LEU A 71 -12.628 -0.404 2.011 1.00 0.00 N ATOM 1052 CA LEU A 71 -12.340 -0.046 0.629 1.00 0.00 C ATOM 1053 C LEU A 71 -11.346 -1.030 0.024 1.00 0.00 C ATOM 1054 O LEU A 71 -11.526 -1.494 -1.102 1.00 0.00 O ATOM 1055 CB LEU A 71 -11.784 1.380 0.553 1.00 0.00 C ATOM 1056 CG LEU A 71 -12.807 2.453 0.178 1.00 0.00 C ATOM 1057 CD1 LEU A 71 -12.475 3.771 0.863 1.00 0.00 C ATOM 1058 CD2 LEU A 71 -12.858 2.636 -1.332 1.00 0.00 C ATOM 0 H LEU A 71 -12.308 0.278 2.698 1.00 0.00 H new ATOM 0 HA LEU A 71 -13.268 -0.090 0.059 1.00 0.00 H new ATOM 0 HB2 LEU A 71 -11.349 1.636 1.519 1.00 0.00 H new ATOM 0 HB3 LEU A 71 -10.975 1.400 -0.177 1.00 0.00 H new ATOM 0 HG LEU A 71 -13.789 2.126 0.520 1.00 0.00 H new ATOM 0 HD11 LEU A 71 -13.214 4.522 0.584 1.00 0.00 H new ATOM 0 HD12 LEU A 71 -12.488 3.633 1.944 1.00 0.00 H new ATOM 0 HD13 LEU A 71 -11.485 4.103 0.552 1.00 0.00 H new ATOM 0 HD21 LEU A 71 -13.591 3.403 -1.581 1.00 0.00 H new ATOM 0 HD22 LEU A 71 -11.876 2.941 -1.695 1.00 0.00 H new ATOM 0 HD23 LEU A 71 -13.143 1.695 -1.803 1.00 0.00 H new ATOM 1070 N ILE A 72 -10.303 -1.351 0.783 1.00 0.00 N ATOM 1071 CA ILE A 72 -9.290 -2.290 0.318 1.00 0.00 C ATOM 1072 C ILE A 72 -9.864 -3.702 0.231 1.00 0.00 C ATOM 1073 O ILE A 72 -9.621 -4.421 -0.738 1.00 0.00 O ATOM 1074 CB ILE A 72 -8.058 -2.297 1.248 1.00 0.00 C ATOM 1075 CG1 ILE A 72 -7.490 -0.885 1.387 1.00 0.00 C ATOM 1076 CG2 ILE A 72 -6.995 -3.250 0.719 1.00 0.00 C ATOM 1077 CD1 ILE A 72 -6.810 -0.636 2.715 1.00 0.00 C ATOM 0 H ILE A 72 -10.138 -0.977 1.717 1.00 0.00 H new ATOM 0 HA ILE A 72 -8.977 -1.963 -0.674 1.00 0.00 H new ATOM 0 HB ILE A 72 -8.370 -2.644 2.233 1.00 0.00 H new ATOM 0 HG12 ILE A 72 -6.775 -0.709 0.583 1.00 0.00 H new ATOM 0 HG13 ILE A 72 -8.297 -0.163 1.260 1.00 0.00 H new ATOM 0 HG21 ILE A 72 -6.134 -3.242 1.387 1.00 0.00 H new ATOM 0 HG22 ILE A 72 -7.404 -4.259 0.667 1.00 0.00 H new ATOM 0 HG23 ILE A 72 -6.685 -2.933 -0.276 1.00 0.00 H new ATOM 0 HD11 ILE A 72 -6.431 0.386 2.744 1.00 0.00 H new ATOM 0 HD12 ILE A 72 -7.527 -0.780 3.523 1.00 0.00 H new ATOM 0 HD13 ILE A 72 -5.982 -1.334 2.836 1.00 0.00 H new ATOM 1089 N LYS A 73 -10.628 -4.087 1.249 1.00 0.00 N ATOM 1090 CA LYS A 73 -11.242 -5.411 1.285 1.00 0.00 C ATOM 1091 C LYS A 73 -12.423 -5.504 0.318 1.00 0.00 C ATOM 1092 O LYS A 73 -12.917 -6.595 0.038 1.00 0.00 O ATOM 1093 CB LYS A 73 -11.706 -5.741 2.705 1.00 0.00 C ATOM 1094 CG LYS A 73 -10.717 -6.591 3.486 1.00 0.00 C ATOM 1095 CD LYS A 73 -11.396 -7.326 4.631 1.00 0.00 C ATOM 1096 CE LYS A 73 -10.422 -7.625 5.758 1.00 0.00 C ATOM 1097 NZ LYS A 73 -11.081 -7.567 7.092 1.00 0.00 N ATOM 0 H LYS A 73 -10.837 -3.503 2.059 1.00 0.00 H new ATOM 0 HA LYS A 73 -10.489 -6.135 0.973 1.00 0.00 H new ATOM 0 HB2 LYS A 73 -11.880 -4.811 3.247 1.00 0.00 H new ATOM 0 HB3 LYS A 73 -12.661 -6.264 2.654 1.00 0.00 H new ATOM 0 HG2 LYS A 73 -10.248 -7.312 2.817 1.00 0.00 H new ATOM 0 HG3 LYS A 73 -9.922 -5.957 3.880 1.00 0.00 H new ATOM 0 HD2 LYS A 73 -12.221 -6.724 5.012 1.00 0.00 H new ATOM 0 HD3 LYS A 73 -11.825 -8.258 4.263 1.00 0.00 H new ATOM 0 HE2 LYS A 73 -9.988 -8.614 5.610 1.00 0.00 H new ATOM 0 HE3 LYS A 73 -9.601 -6.909 5.727 1.00 0.00 H new ATOM 0 HZ1 LYS A 73 -10.383 -7.777 7.834 1.00 0.00 H new ATOM 0 HZ2 LYS A 73 -11.473 -6.616 7.245 1.00 0.00 H new ATOM 0 HZ3 LYS A 73 -11.848 -8.268 7.131 1.00 0.00 H new ATOM 1111 N SER A 74 -12.877 -4.355 -0.185 1.00 0.00 N ATOM 1112 CA SER A 74 -14.005 -4.310 -1.114 1.00 0.00 C ATOM 1113 C SER A 74 -13.893 -5.391 -2.187 1.00 0.00 C ATOM 1114 O SER A 74 -14.901 -5.888 -2.689 1.00 0.00 O ATOM 1115 CB SER A 74 -14.091 -2.933 -1.774 1.00 0.00 C ATOM 1116 OG SER A 74 -13.177 -2.824 -2.852 1.00 0.00 O ATOM 0 H SER A 74 -12.479 -3.442 0.036 1.00 0.00 H new ATOM 0 HA SER A 74 -14.913 -4.496 -0.540 1.00 0.00 H new ATOM 0 HB2 SER A 74 -15.105 -2.762 -2.135 1.00 0.00 H new ATOM 0 HB3 SER A 74 -13.881 -2.159 -1.036 1.00 0.00 H new ATOM 0 HG SER A 74 -12.375 -2.346 -2.554 1.00 0.00 H new ATOM 1122 N GLY A 75 -12.661 -5.753 -2.535 1.00 0.00 N ATOM 1123 CA GLY A 75 -12.448 -6.775 -3.545 1.00 0.00 C ATOM 1124 C GLY A 75 -11.131 -7.502 -3.367 1.00 0.00 C ATOM 1125 O GLY A 75 -10.200 -6.976 -2.756 1.00 0.00 O ATOM 0 H GLY A 75 -11.809 -5.358 -2.137 1.00 0.00 H new ATOM 0 HA2 GLY A 75 -13.265 -7.495 -3.506 1.00 0.00 H new ATOM 0 HA3 GLY A 75 -12.475 -6.316 -4.533 1.00 0.00 H new ATOM 1129 N SER A 76 -11.050 -8.717 -3.902 1.00 0.00 N ATOM 1130 CA SER A 76 -9.835 -9.518 -3.801 1.00 0.00 C ATOM 1131 C SER A 76 -8.644 -8.769 -4.387 1.00 0.00 C ATOM 1132 O SER A 76 -7.644 -8.542 -3.705 1.00 0.00 O ATOM 1133 CB SER A 76 -10.017 -10.854 -4.524 1.00 0.00 C ATOM 1134 OG SER A 76 -11.205 -11.505 -4.104 1.00 0.00 O ATOM 0 H SER A 76 -11.811 -9.168 -4.410 1.00 0.00 H new ATOM 0 HA SER A 76 -9.641 -9.709 -2.746 1.00 0.00 H new ATOM 0 HB2 SER A 76 -10.052 -10.687 -5.600 1.00 0.00 H new ATOM 0 HB3 SER A 76 -9.158 -11.496 -4.329 1.00 0.00 H new ATOM 0 HG SER A 76 -11.299 -12.355 -4.582 1.00 0.00 H new ATOM 1140 N TYR A 77 -8.758 -8.384 -5.654 1.00 0.00 N ATOM 1141 CA TYR A 77 -7.693 -7.655 -6.331 1.00 0.00 C ATOM 1142 C TYR A 77 -8.011 -6.165 -6.383 1.00 0.00 C ATOM 1143 O TYR A 77 -8.949 -5.743 -7.059 1.00 0.00 O ATOM 1144 CB TYR A 77 -7.495 -8.197 -7.748 1.00 0.00 C ATOM 1145 CG TYR A 77 -7.209 -9.680 -7.796 1.00 0.00 C ATOM 1146 CD1 TYR A 77 -8.215 -10.609 -7.562 1.00 0.00 C ATOM 1147 CD2 TYR A 77 -5.933 -10.152 -8.075 1.00 0.00 C ATOM 1148 CE1 TYR A 77 -7.958 -11.967 -7.605 1.00 0.00 C ATOM 1149 CE2 TYR A 77 -5.667 -11.507 -8.122 1.00 0.00 C ATOM 1150 CZ TYR A 77 -6.682 -12.410 -7.885 1.00 0.00 C ATOM 1151 OH TYR A 77 -6.422 -13.759 -7.929 1.00 0.00 O ATOM 0 H TYR A 77 -9.578 -8.565 -6.233 1.00 0.00 H new ATOM 0 HA TYR A 77 -6.771 -7.795 -5.767 1.00 0.00 H new ATOM 0 HB2 TYR A 77 -8.389 -7.989 -8.335 1.00 0.00 H new ATOM 0 HB3 TYR A 77 -6.672 -7.662 -8.221 1.00 0.00 H new ATOM 0 HD1 TYR A 77 -9.215 -10.265 -7.343 1.00 0.00 H new ATOM 0 HD2 TYR A 77 -5.135 -9.448 -8.258 1.00 0.00 H new ATOM 0 HE1 TYR A 77 -8.751 -12.676 -7.421 1.00 0.00 H new ATOM 0 HE2 TYR A 77 -4.670 -11.857 -8.343 1.00 0.00 H new ATOM 0 HH TYR A 77 -5.476 -13.903 -8.140 1.00 0.00 H new ATOM 1161 N VAL A 78 -7.226 -5.372 -5.662 1.00 0.00 N ATOM 1162 CA VAL A 78 -7.427 -3.929 -5.627 1.00 0.00 C ATOM 1163 C VAL A 78 -6.108 -3.186 -5.797 1.00 0.00 C ATOM 1164 O VAL A 78 -5.137 -3.450 -5.088 1.00 0.00 O ATOM 1165 CB VAL A 78 -8.086 -3.488 -4.305 1.00 0.00 C ATOM 1166 CG1 VAL A 78 -8.450 -2.012 -4.355 1.00 0.00 C ATOM 1167 CG2 VAL A 78 -9.314 -4.337 -4.011 1.00 0.00 C ATOM 0 H VAL A 78 -6.446 -5.704 -5.095 1.00 0.00 H new ATOM 0 HA VAL A 78 -8.089 -3.680 -6.456 1.00 0.00 H new ATOM 0 HB VAL A 78 -7.369 -3.634 -3.497 1.00 0.00 H new ATOM 0 HG11 VAL A 78 -8.914 -1.720 -3.413 1.00 0.00 H new ATOM 0 HG12 VAL A 78 -7.549 -1.420 -4.515 1.00 0.00 H new ATOM 0 HG13 VAL A 78 -9.149 -1.837 -5.173 1.00 0.00 H new ATOM 0 HG21 VAL A 78 -9.766 -4.011 -3.074 1.00 0.00 H new ATOM 0 HG22 VAL A 78 -10.036 -4.225 -4.820 1.00 0.00 H new ATOM 0 HG23 VAL A 78 -9.021 -5.384 -3.928 1.00 0.00 H new ATOM 1177 N ALA A 79 -6.080 -2.250 -6.742 1.00 0.00 N ATOM 1178 CA ALA A 79 -4.879 -1.467 -7.004 1.00 0.00 C ATOM 1179 C ALA A 79 -4.601 -0.499 -5.861 1.00 0.00 C ATOM 1180 O ALA A 79 -5.525 0.050 -5.260 1.00 0.00 O ATOM 1181 CB ALA A 79 -5.017 -0.711 -8.317 1.00 0.00 C ATOM 0 H ALA A 79 -6.875 -2.017 -7.337 1.00 0.00 H new ATOM 0 HA ALA A 79 -4.035 -2.153 -7.081 1.00 0.00 H new ATOM 0 HB1 ALA A 79 -4.113 -0.131 -8.499 1.00 0.00 H new ATOM 0 HB2 ALA A 79 -5.164 -1.420 -9.132 1.00 0.00 H new ATOM 0 HB3 ALA A 79 -5.874 -0.040 -8.262 1.00 0.00 H new ATOM 1187 N LEU A 80 -3.322 -0.294 -5.560 1.00 0.00 N ATOM 1188 CA LEU A 80 -2.927 0.607 -4.485 1.00 0.00 C ATOM 1189 C LEU A 80 -1.759 1.489 -4.911 1.00 0.00 C ATOM 1190 O LEU A 80 -0.597 1.106 -4.777 1.00 0.00 O ATOM 1191 CB LEU A 80 -2.548 -0.193 -3.237 1.00 0.00 C ATOM 1192 CG LEU A 80 -2.092 0.649 -2.042 1.00 0.00 C ATOM 1193 CD1 LEU A 80 -3.261 0.927 -1.109 1.00 0.00 C ATOM 1194 CD2 LEU A 80 -0.966 -0.048 -1.295 1.00 0.00 C ATOM 0 H LEU A 80 -2.543 -0.739 -6.045 1.00 0.00 H new ATOM 0 HA LEU A 80 -3.776 1.250 -4.255 1.00 0.00 H new ATOM 0 HB2 LEU A 80 -3.406 -0.792 -2.933 1.00 0.00 H new ATOM 0 HB3 LEU A 80 -1.750 -0.888 -3.498 1.00 0.00 H new ATOM 0 HG LEU A 80 -1.716 1.601 -2.416 1.00 0.00 H new ATOM 0 HD11 LEU A 80 -2.919 1.526 -0.265 1.00 0.00 H new ATOM 0 HD12 LEU A 80 -4.036 1.470 -1.649 1.00 0.00 H new ATOM 0 HD13 LEU A 80 -3.667 -0.016 -0.743 1.00 0.00 H new ATOM 0 HD21 LEU A 80 -0.656 0.566 -0.449 1.00 0.00 H new ATOM 0 HD22 LEU A 80 -1.314 -1.015 -0.933 1.00 0.00 H new ATOM 0 HD23 LEU A 80 -0.120 -0.195 -1.967 1.00 0.00 H new ATOM 1206 N THR A 81 -2.074 2.678 -5.416 1.00 0.00 N ATOM 1207 CA THR A 81 -1.048 3.616 -5.853 1.00 0.00 C ATOM 1208 C THR A 81 -0.337 4.230 -4.651 1.00 0.00 C ATOM 1209 O THR A 81 -0.920 5.019 -3.911 1.00 0.00 O ATOM 1210 CB THR A 81 -1.667 4.719 -6.713 1.00 0.00 C ATOM 1211 OG1 THR A 81 -2.783 4.227 -7.435 1.00 0.00 O ATOM 1212 CG2 THR A 81 -0.698 5.312 -7.713 1.00 0.00 C ATOM 0 H THR A 81 -3.030 3.013 -5.532 1.00 0.00 H new ATOM 0 HA THR A 81 -0.317 3.070 -6.450 1.00 0.00 H new ATOM 0 HB THR A 81 -1.964 5.499 -6.012 1.00 0.00 H new ATOM 0 HG1 THR A 81 -2.622 4.330 -8.396 1.00 0.00 H new ATOM 0 HG21 THR A 81 -1.200 6.088 -8.290 1.00 0.00 H new ATOM 0 HG22 THR A 81 0.151 5.745 -7.184 1.00 0.00 H new ATOM 0 HG23 THR A 81 -0.345 4.530 -8.386 1.00 0.00 H new ATOM 1220 N VAL A 82 0.925 3.856 -4.460 1.00 0.00 N ATOM 1221 CA VAL A 82 1.709 4.365 -3.343 1.00 0.00 C ATOM 1222 C VAL A 82 2.843 5.262 -3.824 1.00 0.00 C ATOM 1223 O VAL A 82 3.091 5.380 -5.025 1.00 0.00 O ATOM 1224 CB VAL A 82 2.301 3.216 -2.504 1.00 0.00 C ATOM 1225 CG1 VAL A 82 1.191 2.391 -1.870 1.00 0.00 C ATOM 1226 CG2 VAL A 82 3.207 2.341 -3.357 1.00 0.00 C ATOM 0 H VAL A 82 1.424 3.203 -5.064 1.00 0.00 H new ATOM 0 HA VAL A 82 1.029 4.949 -2.723 1.00 0.00 H new ATOM 0 HB VAL A 82 2.903 3.648 -1.704 1.00 0.00 H new ATOM 0 HG11 VAL A 82 1.628 1.584 -1.281 1.00 0.00 H new ATOM 0 HG12 VAL A 82 0.589 3.028 -1.222 1.00 0.00 H new ATOM 0 HG13 VAL A 82 0.560 1.969 -2.652 1.00 0.00 H new ATOM 0 HG21 VAL A 82 3.615 1.536 -2.746 1.00 0.00 H new ATOM 0 HG22 VAL A 82 2.633 1.917 -4.181 1.00 0.00 H new ATOM 0 HG23 VAL A 82 4.023 2.943 -3.756 1.00 0.00 H new ATOM 1236 N GLN A 83 3.532 5.893 -2.878 1.00 0.00 N ATOM 1237 CA GLN A 83 4.641 6.781 -3.200 1.00 0.00 C ATOM 1238 C GLN A 83 5.824 6.533 -2.269 1.00 0.00 C ATOM 1239 O GLN A 83 5.651 6.340 -1.066 1.00 0.00 O ATOM 1240 CB GLN A 83 4.198 8.242 -3.101 1.00 0.00 C ATOM 1241 CG GLN A 83 4.934 9.168 -4.055 1.00 0.00 C ATOM 1242 CD GLN A 83 4.530 10.620 -3.890 1.00 0.00 C ATOM 1243 OE1 GLN A 83 3.803 11.146 -4.868 1.00 0.00 O flip ATOM 1244 NE2 GLN A 83 4.865 11.260 -2.893 1.00 0.00 N flip ATOM 0 H GLN A 83 3.340 5.805 -1.880 1.00 0.00 H new ATOM 0 HA GLN A 83 4.955 6.572 -4.223 1.00 0.00 H new ATOM 0 HB2 GLN A 83 3.128 8.303 -3.302 1.00 0.00 H new ATOM 0 HB3 GLN A 83 4.351 8.591 -2.080 1.00 0.00 H new ATOM 0 HG2 GLN A 83 6.007 9.073 -3.891 1.00 0.00 H new ATOM 0 HG3 GLN A 83 4.739 8.855 -5.081 1.00 0.00 H new ATOM 0 HE21 GLN A 83 5.424 10.815 -2.165 1.00 0.00 H new ATOM 0 HE22 GLN A 83 4.583 12.235 -2.795 1.00 0.00 H new ATOM 1253 N GLY A 84 7.027 6.538 -2.836 1.00 0.00 N ATOM 1254 CA GLY A 84 8.219 6.311 -2.043 1.00 0.00 C ATOM 1255 C GLY A 84 9.476 6.258 -2.890 1.00 0.00 C ATOM 1256 O GLY A 84 9.496 5.618 -3.942 1.00 0.00 O ATOM 0 H GLY A 84 7.196 6.695 -3.830 1.00 0.00 H new ATOM 0 HA2 GLY A 84 8.316 7.105 -1.303 1.00 0.00 H new ATOM 0 HA3 GLY A 84 8.114 5.375 -1.494 1.00 0.00 H new