USER MOD reduce.3.24.130724 H: found=0, std=0, add=519, rem=0, adj=17 USER MOD reduce.3.24.130724 removed 521 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 61 SER OG : rot -29:sc= 1.53 USER MOD Set 1.2: A 82 TYR OH : rot 39:sc= 1.09 USER MOD Set 2.1: A 48 LYS NZ :NH3+ -173:sc= 0.354 (180deg=0) USER MOD Set 2.2: A 50 TYR OH : rot 180:sc= -1.04 USER MOD Single : A 12 ASN :FLIP amide:sc= -0.0528 F(o=-0.62,f=-0.053) USER MOD Single : A 20 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 23 TYR OH : rot 180:sc= 0 USER MOD Single : A 25 THR OG1 : rot 180:sc= 0 USER MOD Single : A 27 SER OG : rot 180:sc= 0 USER MOD Single : A 34 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 35 THR OG1 : rot 180:sc= 0 USER MOD Single : A 37 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 39 MET CE :methyl -108:sc= -0.0236 (180deg=-0.259) USER MOD Single : A 54 ASN : amide:sc= -0.384 K(o=-0.38,f=-2!) USER MOD Single : A 57 SER OG : rot 180:sc= 0.0554 USER MOD Single : A 68 MET CE :methyl -106:sc= -1.97 (180deg=-6.78!) USER MOD Single : A 69 ASN : amide:sc= -1.2! C(o=-1.2!,f=-1.6!) USER MOD Single : A 71 GLN :FLIP amide:sc= -0.144 F(o=-0.69,f=-0.14) USER MOD Single : A 72 TYR OH : rot 180:sc= 0 USER MOD Single : A 74 CYS SG : rot 180:sc= 0 USER MOD Single : A 75 ASN : amide:sc= 0 K(o=0,f=-1.3) USER MOD Single : A 79 THR OG1 : rot 37:sc= 0.173 USER MOD Single : A 81 SER OG : rot 180:sc= -0.176 USER MOD ----------------------------------------------------------------- ATOM 59 N GLY A 7 -1.526 8.525 1.605 1.00 0.00 N ATOM 60 CA GLY A 7 -0.737 7.335 1.867 1.00 0.00 C ATOM 61 C GLY A 7 -1.269 6.534 3.039 1.00 0.00 C ATOM 62 O GLY A 7 -2.049 7.043 3.844 1.00 0.00 O ATOM 0 HA2 GLY A 7 -0.726 6.707 0.976 1.00 0.00 H new ATOM 0 HA3 GLY A 7 0.295 7.624 2.066 1.00 0.00 H new ATOM 66 N ILE A 8 -0.847 5.278 3.134 1.00 0.00 N ATOM 67 CA ILE A 8 -1.287 4.405 4.216 1.00 0.00 C ATOM 68 C ILE A 8 -0.099 3.872 5.009 1.00 0.00 C ATOM 69 O ILE A 8 0.968 3.614 4.452 1.00 0.00 O ATOM 70 CB ILE A 8 -2.108 3.216 3.682 1.00 0.00 C ATOM 71 CG1 ILE A 8 -1.287 2.415 2.669 1.00 0.00 C ATOM 72 CG2 ILE A 8 -3.403 3.708 3.052 1.00 0.00 C ATOM 73 CD1 ILE A 8 -1.717 0.970 2.551 1.00 0.00 C ATOM 0 H ILE A 8 -0.201 4.842 2.476 1.00 0.00 H new ATOM 0 HA ILE A 8 -1.918 5.007 4.870 1.00 0.00 H new ATOM 0 HB ILE A 8 -2.358 2.561 4.517 1.00 0.00 H new ATOM 0 HG12 ILE A 8 -1.367 2.890 1.691 1.00 0.00 H new ATOM 0 HG13 ILE A 8 -0.236 2.451 2.956 1.00 0.00 H new ATOM 0 HG21 ILE A 8 -3.973 2.857 2.679 1.00 0.00 H new ATOM 0 HG22 ILE A 8 -3.992 4.240 3.799 1.00 0.00 H new ATOM 0 HG23 ILE A 8 -3.173 4.381 2.226 1.00 0.00 H new ATOM 0 HD11 ILE A 8 -1.092 0.463 1.816 1.00 0.00 H new ATOM 0 HD12 ILE A 8 -1.610 0.479 3.518 1.00 0.00 H new ATOM 0 HD13 ILE A 8 -2.759 0.925 2.234 1.00 0.00 H new ATOM 85 N PHE A 9 -0.292 3.707 6.314 1.00 0.00 N ATOM 86 CA PHE A 9 0.764 3.203 7.185 1.00 0.00 C ATOM 87 C PHE A 9 0.515 1.743 7.552 1.00 0.00 C ATOM 88 O PHE A 9 -0.602 1.362 7.904 1.00 0.00 O ATOM 89 CB PHE A 9 0.854 4.052 8.455 1.00 0.00 C ATOM 90 CG PHE A 9 1.559 3.362 9.588 1.00 0.00 C ATOM 91 CD1 PHE A 9 2.927 3.151 9.544 1.00 0.00 C ATOM 92 CD2 PHE A 9 0.852 2.924 10.696 1.00 0.00 C ATOM 93 CE1 PHE A 9 3.579 2.516 10.585 1.00 0.00 C ATOM 94 CE2 PHE A 9 1.498 2.289 11.740 1.00 0.00 C ATOM 95 CZ PHE A 9 2.863 2.084 11.684 1.00 0.00 C ATOM 0 H PHE A 9 -1.169 3.915 6.791 1.00 0.00 H new ATOM 0 HA PHE A 9 1.709 3.267 6.645 1.00 0.00 H new ATOM 0 HB2 PHE A 9 1.375 4.981 8.225 1.00 0.00 H new ATOM 0 HB3 PHE A 9 -0.153 4.322 8.774 1.00 0.00 H new ATOM 0 HD1 PHE A 9 3.491 3.486 8.686 1.00 0.00 H new ATOM 0 HD2 PHE A 9 -0.216 3.080 10.745 1.00 0.00 H new ATOM 0 HE1 PHE A 9 4.646 2.358 10.539 1.00 0.00 H new ATOM 0 HE2 PHE A 9 0.936 1.953 12.599 1.00 0.00 H new ATOM 0 HZ PHE A 9 3.369 1.587 12.498 1.00 0.00 H new ATOM 105 N ILE A 10 1.563 0.931 7.466 1.00 0.00 N ATOM 106 CA ILE A 10 1.459 -0.487 7.790 1.00 0.00 C ATOM 107 C ILE A 10 2.515 -0.896 8.811 1.00 0.00 C ATOM 108 O ILE A 10 3.647 -0.416 8.776 1.00 0.00 O ATOM 109 CB ILE A 10 1.610 -1.363 6.533 1.00 0.00 C ATOM 110 CG1 ILE A 10 0.601 -0.939 5.464 1.00 0.00 C ATOM 111 CG2 ILE A 10 1.429 -2.832 6.886 1.00 0.00 C ATOM 112 CD1 ILE A 10 1.083 -1.174 4.050 1.00 0.00 C ATOM 0 H ILE A 10 2.494 1.230 7.175 1.00 0.00 H new ATOM 0 HA ILE A 10 0.467 -0.643 8.215 1.00 0.00 H new ATOM 0 HB ILE A 10 2.614 -1.226 6.132 1.00 0.00 H new ATOM 0 HG12 ILE A 10 -0.330 -1.486 5.617 1.00 0.00 H new ATOM 0 HG13 ILE A 10 0.374 0.119 5.590 1.00 0.00 H new ATOM 0 HG21 ILE A 10 1.539 -3.438 5.987 1.00 0.00 H new ATOM 0 HG22 ILE A 10 2.183 -3.126 7.616 1.00 0.00 H new ATOM 0 HG23 ILE A 10 0.436 -2.985 7.308 1.00 0.00 H new ATOM 0 HD11 ILE A 10 0.317 -0.850 3.346 1.00 0.00 H new ATOM 0 HD12 ILE A 10 1.997 -0.606 3.878 1.00 0.00 H new ATOM 0 HD13 ILE A 10 1.283 -2.236 3.906 1.00 0.00 H new ATOM 124 N GLY A 11 2.136 -1.789 9.720 1.00 0.00 N ATOM 125 CA GLY A 11 3.061 -2.250 10.739 1.00 0.00 C ATOM 126 C GLY A 11 2.920 -3.733 11.022 1.00 0.00 C ATOM 127 O GLY A 11 1.891 -4.334 10.718 1.00 0.00 O ATOM 0 H GLY A 11 1.204 -2.202 9.769 1.00 0.00 H new ATOM 0 HA2 GLY A 11 4.082 -2.039 10.421 1.00 0.00 H new ATOM 0 HA3 GLY A 11 2.892 -1.690 11.659 1.00 0.00 H new ATOM 131 N ASN A 12 3.958 -4.324 11.605 1.00 0.00 N ATOM 132 CA ASN A 12 3.946 -5.746 11.927 1.00 0.00 C ATOM 133 C ASN A 12 4.061 -6.591 10.663 1.00 0.00 C ATOM 134 O ASN A 12 3.285 -7.525 10.454 1.00 0.00 O ATOM 135 CB ASN A 12 2.665 -6.108 12.682 1.00 0.00 C ATOM 136 CG ASN A 12 2.866 -7.267 13.639 1.00 0.00 C ATOM 137 OD1 ASN A 12 2.825 -8.485 13.110 1.00 0.00 O flip ATOM 138 ND2 ASN A 12 3.057 -7.070 14.839 1.00 0.00 N flip ATOM 0 H ASN A 12 4.818 -3.840 11.864 1.00 0.00 H new ATOM 0 HA ASN A 12 4.806 -5.957 12.562 1.00 0.00 H new ATOM 0 HB2 ASN A 12 2.316 -5.238 13.238 1.00 0.00 H new ATOM 0 HB3 ASN A 12 1.884 -6.363 11.966 1.00 0.00 H new ATOM 0 HD21 ASN A 12 3.081 -6.117 15.202 1.00 0.00 H new ATOM 0 HD22 ASN A 12 3.192 -7.860 15.470 1.00 0.00 H new ATOM 145 N LEU A 13 5.034 -6.259 9.822 1.00 0.00 N ATOM 146 CA LEU A 13 5.252 -6.988 8.577 1.00 0.00 C ATOM 147 C LEU A 13 6.327 -8.056 8.752 1.00 0.00 C ATOM 148 O LEU A 13 7.306 -7.853 9.470 1.00 0.00 O ATOM 149 CB LEU A 13 5.654 -6.022 7.461 1.00 0.00 C ATOM 150 CG LEU A 13 4.526 -5.181 6.862 1.00 0.00 C ATOM 151 CD1 LEU A 13 5.093 -4.012 6.072 1.00 0.00 C ATOM 152 CD2 LEU A 13 3.631 -6.040 5.980 1.00 0.00 C ATOM 0 H LEU A 13 5.685 -5.490 9.979 1.00 0.00 H new ATOM 0 HA LEU A 13 4.318 -7.480 8.305 1.00 0.00 H new ATOM 0 HB2 LEU A 13 6.416 -5.347 7.849 1.00 0.00 H new ATOM 0 HB3 LEU A 13 6.116 -6.597 6.659 1.00 0.00 H new ATOM 0 HG LEU A 13 3.923 -4.782 7.678 1.00 0.00 H new ATOM 0 HD11 LEU A 13 4.275 -3.425 5.653 1.00 0.00 H new ATOM 0 HD12 LEU A 13 5.691 -3.383 6.732 1.00 0.00 H new ATOM 0 HD13 LEU A 13 5.720 -4.389 5.264 1.00 0.00 H new ATOM 0 HD21 LEU A 13 2.834 -5.425 5.562 1.00 0.00 H new ATOM 0 HD22 LEU A 13 4.221 -6.468 5.170 1.00 0.00 H new ATOM 0 HD23 LEU A 13 3.196 -6.843 6.575 1.00 0.00 H new ATOM 164 N ASP A 14 6.137 -9.192 8.091 1.00 0.00 N ATOM 165 CA ASP A 14 7.092 -10.291 8.171 1.00 0.00 C ATOM 166 C ASP A 14 8.393 -9.934 7.457 1.00 0.00 C ATOM 167 O ASP A 14 8.396 -9.321 6.389 1.00 0.00 O ATOM 168 CB ASP A 14 6.494 -11.560 7.562 1.00 0.00 C ATOM 169 CG ASP A 14 7.214 -12.815 8.015 1.00 0.00 C ATOM 170 OD1 ASP A 14 6.950 -13.276 9.145 1.00 0.00 O ATOM 171 OD2 ASP A 14 8.040 -13.337 7.238 1.00 0.00 O ATOM 0 H ASP A 14 5.331 -9.376 7.494 1.00 0.00 H new ATOM 0 HA ASP A 14 7.313 -10.471 9.223 1.00 0.00 H new ATOM 0 HB2 ASP A 14 5.441 -11.630 7.836 1.00 0.00 H new ATOM 0 HB3 ASP A 14 6.537 -11.493 6.475 1.00 0.00 H new ATOM 176 N PRO A 15 9.525 -10.325 8.060 1.00 0.00 N ATOM 177 CA PRO A 15 10.853 -10.057 7.500 1.00 0.00 C ATOM 178 C PRO A 15 11.127 -10.872 6.241 1.00 0.00 C ATOM 179 O PRO A 15 12.190 -10.752 5.632 1.00 0.00 O ATOM 180 CB PRO A 15 11.804 -10.476 8.625 1.00 0.00 C ATOM 181 CG PRO A 15 11.038 -11.482 9.413 1.00 0.00 C ATOM 182 CD PRO A 15 9.597 -11.060 9.334 1.00 0.00 C ATOM 0 HA PRO A 15 10.963 -9.016 7.195 1.00 0.00 H new ATOM 0 HB2 PRO A 15 12.725 -10.903 8.227 1.00 0.00 H new ATOM 0 HB3 PRO A 15 12.088 -9.623 9.241 1.00 0.00 H new ATOM 0 HG2 PRO A 15 11.174 -12.483 9.005 1.00 0.00 H new ATOM 0 HG3 PRO A 15 11.380 -11.510 10.447 1.00 0.00 H new ATOM 0 HD2 PRO A 15 8.926 -11.919 9.341 1.00 0.00 H new ATOM 0 HD3 PRO A 15 9.316 -10.430 10.178 1.00 0.00 H new ATOM 190 N GLU A 16 10.161 -11.700 5.856 1.00 0.00 N ATOM 191 CA GLU A 16 10.300 -12.534 4.668 1.00 0.00 C ATOM 192 C GLU A 16 9.619 -11.887 3.465 1.00 0.00 C ATOM 193 O GLU A 16 9.906 -12.230 2.318 1.00 0.00 O ATOM 194 CB GLU A 16 9.704 -13.921 4.920 1.00 0.00 C ATOM 195 CG GLU A 16 10.383 -14.680 6.048 1.00 0.00 C ATOM 196 CD GLU A 16 11.844 -14.968 5.761 1.00 0.00 C ATOM 197 OE1 GLU A 16 12.213 -15.036 4.570 1.00 0.00 O ATOM 198 OE2 GLU A 16 12.618 -15.125 6.729 1.00 0.00 O ATOM 0 H GLU A 16 9.275 -11.811 6.349 1.00 0.00 H new ATOM 0 HA GLU A 16 11.363 -12.636 4.450 1.00 0.00 H new ATOM 0 HB2 GLU A 16 8.644 -13.815 5.151 1.00 0.00 H new ATOM 0 HB3 GLU A 16 9.773 -14.509 4.005 1.00 0.00 H new ATOM 0 HG2 GLU A 16 10.305 -14.102 6.969 1.00 0.00 H new ATOM 0 HG3 GLU A 16 9.858 -15.620 6.216 1.00 0.00 H new ATOM 205 N ILE A 17 8.717 -10.950 3.737 1.00 0.00 N ATOM 206 CA ILE A 17 7.996 -10.254 2.678 1.00 0.00 C ATOM 207 C ILE A 17 8.913 -9.294 1.929 1.00 0.00 C ATOM 208 O ILE A 17 9.864 -8.757 2.496 1.00 0.00 O ATOM 209 CB ILE A 17 6.795 -9.469 3.237 1.00 0.00 C ATOM 210 CG1 ILE A 17 5.809 -10.420 3.919 1.00 0.00 C ATOM 211 CG2 ILE A 17 6.108 -8.691 2.126 1.00 0.00 C ATOM 212 CD1 ILE A 17 4.894 -9.733 4.909 1.00 0.00 C ATOM 0 H ILE A 17 8.468 -10.655 4.681 1.00 0.00 H new ATOM 0 HA ILE A 17 7.632 -11.017 1.989 1.00 0.00 H new ATOM 0 HB ILE A 17 7.158 -8.759 3.980 1.00 0.00 H new ATOM 0 HG12 ILE A 17 5.204 -10.911 3.157 1.00 0.00 H new ATOM 0 HG13 ILE A 17 6.368 -11.201 4.434 1.00 0.00 H new ATOM 0 HG21 ILE A 17 5.261 -8.141 2.537 1.00 0.00 H new ATOM 0 HG22 ILE A 17 6.815 -7.990 1.682 1.00 0.00 H new ATOM 0 HG23 ILE A 17 5.755 -9.383 1.362 1.00 0.00 H new ATOM 0 HD11 ILE A 17 4.222 -10.467 5.354 1.00 0.00 H new ATOM 0 HD12 ILE A 17 5.491 -9.266 5.692 1.00 0.00 H new ATOM 0 HD13 ILE A 17 4.309 -8.970 4.395 1.00 0.00 H new ATOM 224 N ASP A 18 8.619 -9.081 0.651 1.00 0.00 N ATOM 225 CA ASP A 18 9.415 -8.183 -0.177 1.00 0.00 C ATOM 226 C ASP A 18 8.519 -7.231 -0.963 1.00 0.00 C ATOM 227 O ASP A 18 7.353 -7.530 -1.217 1.00 0.00 O ATOM 228 CB ASP A 18 10.295 -8.985 -1.138 1.00 0.00 C ATOM 229 CG ASP A 18 9.544 -10.126 -1.795 1.00 0.00 C ATOM 230 OD1 ASP A 18 8.322 -10.241 -1.565 1.00 0.00 O ATOM 231 OD2 ASP A 18 10.177 -10.904 -2.539 1.00 0.00 O ATOM 0 H ASP A 18 7.835 -9.518 0.166 1.00 0.00 H new ATOM 0 HA ASP A 18 10.053 -7.593 0.481 1.00 0.00 H new ATOM 0 HB2 ASP A 18 10.686 -8.320 -1.908 1.00 0.00 H new ATOM 0 HB3 ASP A 18 11.152 -9.383 -0.595 1.00 0.00 H new ATOM 236 N GLU A 19 9.072 -6.084 -1.344 1.00 0.00 N ATOM 237 CA GLU A 19 8.321 -5.088 -2.099 1.00 0.00 C ATOM 238 C GLU A 19 7.371 -5.757 -3.088 1.00 0.00 C ATOM 239 O GLU A 19 6.176 -5.462 -3.116 1.00 0.00 O ATOM 240 CB GLU A 19 9.276 -4.154 -2.846 1.00 0.00 C ATOM 241 CG GLU A 19 10.229 -3.401 -1.932 1.00 0.00 C ATOM 242 CD GLU A 19 11.137 -2.452 -2.690 1.00 0.00 C ATOM 243 OE1 GLU A 19 11.770 -2.895 -3.671 1.00 0.00 O ATOM 244 OE2 GLU A 19 11.213 -1.268 -2.303 1.00 0.00 O ATOM 0 H GLU A 19 10.037 -5.822 -1.142 1.00 0.00 H new ATOM 0 HA GLU A 19 7.731 -4.504 -1.393 1.00 0.00 H new ATOM 0 HB2 GLU A 19 9.856 -4.737 -3.561 1.00 0.00 H new ATOM 0 HB3 GLU A 19 8.692 -3.435 -3.421 1.00 0.00 H new ATOM 0 HG2 GLU A 19 9.653 -2.838 -1.198 1.00 0.00 H new ATOM 0 HG3 GLU A 19 10.838 -4.117 -1.379 1.00 0.00 H new ATOM 251 N LYS A 20 7.911 -6.661 -3.899 1.00 0.00 N ATOM 252 CA LYS A 20 7.114 -7.374 -4.890 1.00 0.00 C ATOM 253 C LYS A 20 5.808 -7.873 -4.280 1.00 0.00 C ATOM 254 O LYS A 20 4.721 -7.492 -4.717 1.00 0.00 O ATOM 255 CB LYS A 20 7.906 -8.553 -5.459 1.00 0.00 C ATOM 256 CG LYS A 20 8.977 -8.142 -6.455 1.00 0.00 C ATOM 257 CD LYS A 20 10.133 -7.432 -5.770 1.00 0.00 C ATOM 258 CE LYS A 20 11.394 -7.474 -6.618 1.00 0.00 C ATOM 259 NZ LYS A 20 12.601 -7.085 -5.837 1.00 0.00 N ATOM 0 H LYS A 20 8.898 -6.917 -3.889 1.00 0.00 H new ATOM 0 HA LYS A 20 6.877 -6.680 -5.697 1.00 0.00 H new ATOM 0 HB2 LYS A 20 8.374 -9.095 -4.638 1.00 0.00 H new ATOM 0 HB3 LYS A 20 7.216 -9.243 -5.944 1.00 0.00 H new ATOM 0 HG2 LYS A 20 9.348 -9.024 -6.976 1.00 0.00 H new ATOM 0 HG3 LYS A 20 8.542 -7.486 -7.209 1.00 0.00 H new ATOM 0 HD2 LYS A 20 9.860 -6.395 -5.574 1.00 0.00 H new ATOM 0 HD3 LYS A 20 10.327 -7.899 -4.804 1.00 0.00 H new ATOM 0 HE2 LYS A 20 11.529 -8.479 -7.019 1.00 0.00 H new ATOM 0 HE3 LYS A 20 11.281 -6.804 -7.470 1.00 0.00 H new ATOM 0 HZ1 LYS A 20 13.440 -7.126 -6.451 1.00 0.00 H new ATOM 0 HZ2 LYS A 20 12.484 -6.117 -5.476 1.00 0.00 H new ATOM 0 HZ3 LYS A 20 12.724 -7.740 -5.038 1.00 0.00 H new ATOM 273 N LEU A 21 5.921 -8.726 -3.268 1.00 0.00 N ATOM 274 CA LEU A 21 4.748 -9.277 -2.597 1.00 0.00 C ATOM 275 C LEU A 21 3.804 -8.165 -2.150 1.00 0.00 C ATOM 276 O LEU A 21 2.687 -8.044 -2.655 1.00 0.00 O ATOM 277 CB LEU A 21 5.174 -10.115 -1.390 1.00 0.00 C ATOM 278 CG LEU A 21 4.102 -11.032 -0.798 1.00 0.00 C ATOM 279 CD1 LEU A 21 3.700 -12.100 -1.803 1.00 0.00 C ATOM 280 CD2 LEU A 21 4.598 -11.669 0.492 1.00 0.00 C ATOM 0 H LEU A 21 6.812 -9.051 -2.894 1.00 0.00 H new ATOM 0 HA LEU A 21 4.220 -9.914 -3.306 1.00 0.00 H new ATOM 0 HB2 LEU A 21 6.027 -10.727 -1.681 1.00 0.00 H new ATOM 0 HB3 LEU A 21 5.519 -9.439 -0.607 1.00 0.00 H new ATOM 0 HG LEU A 21 3.223 -10.430 -0.567 1.00 0.00 H new ATOM 0 HD11 LEU A 21 2.937 -12.743 -1.365 1.00 0.00 H new ATOM 0 HD12 LEU A 21 3.303 -11.625 -2.700 1.00 0.00 H new ATOM 0 HD13 LEU A 21 4.572 -12.699 -2.066 1.00 0.00 H new ATOM 0 HD21 LEU A 21 3.822 -12.318 0.899 1.00 0.00 H new ATOM 0 HD22 LEU A 21 5.493 -12.257 0.287 1.00 0.00 H new ATOM 0 HD23 LEU A 21 4.835 -10.889 1.215 1.00 0.00 H new ATOM 292 N LEU A 22 4.261 -7.353 -1.203 1.00 0.00 N ATOM 293 CA LEU A 22 3.459 -6.248 -0.690 1.00 0.00 C ATOM 294 C LEU A 22 2.639 -5.606 -1.805 1.00 0.00 C ATOM 295 O LEU A 22 1.417 -5.496 -1.706 1.00 0.00 O ATOM 296 CB LEU A 22 4.359 -5.199 -0.034 1.00 0.00 C ATOM 297 CG LEU A 22 4.827 -5.510 1.388 1.00 0.00 C ATOM 298 CD1 LEU A 22 5.900 -4.525 1.824 1.00 0.00 C ATOM 299 CD2 LEU A 22 3.651 -5.483 2.354 1.00 0.00 C ATOM 0 H LEU A 22 5.183 -7.439 -0.775 1.00 0.00 H new ATOM 0 HA LEU A 22 2.773 -6.647 0.057 1.00 0.00 H new ATOM 0 HB2 LEU A 22 5.239 -5.060 -0.662 1.00 0.00 H new ATOM 0 HB3 LEU A 22 3.825 -4.249 -0.019 1.00 0.00 H new ATOM 0 HG LEU A 22 5.257 -6.512 1.398 1.00 0.00 H new ATOM 0 HD11 LEU A 22 6.221 -4.762 2.838 1.00 0.00 H new ATOM 0 HD12 LEU A 22 6.753 -4.593 1.148 1.00 0.00 H new ATOM 0 HD13 LEU A 22 5.497 -3.513 1.798 1.00 0.00 H new ATOM 0 HD21 LEU A 22 4.002 -5.707 3.361 1.00 0.00 H new ATOM 0 HD22 LEU A 22 3.192 -4.494 2.341 1.00 0.00 H new ATOM 0 HD23 LEU A 22 2.915 -6.229 2.053 1.00 0.00 H new ATOM 311 N TYR A 23 3.320 -5.186 -2.865 1.00 0.00 N ATOM 312 CA TYR A 23 2.655 -4.555 -3.999 1.00 0.00 C ATOM 313 C TYR A 23 1.397 -5.325 -4.390 1.00 0.00 C ATOM 314 O TYR A 23 0.290 -4.787 -4.351 1.00 0.00 O ATOM 315 CB TYR A 23 3.607 -4.472 -5.194 1.00 0.00 C ATOM 316 CG TYR A 23 3.122 -3.553 -6.292 1.00 0.00 C ATOM 317 CD1 TYR A 23 2.075 -3.928 -7.125 1.00 0.00 C ATOM 318 CD2 TYR A 23 3.710 -2.312 -6.497 1.00 0.00 C ATOM 319 CE1 TYR A 23 1.628 -3.092 -8.131 1.00 0.00 C ATOM 320 CE2 TYR A 23 3.269 -1.469 -7.499 1.00 0.00 C ATOM 321 CZ TYR A 23 2.228 -1.864 -8.313 1.00 0.00 C ATOM 322 OH TYR A 23 1.787 -1.028 -9.313 1.00 0.00 O ATOM 0 H TYR A 23 4.332 -5.271 -2.963 1.00 0.00 H new ATOM 0 HA TYR A 23 2.365 -3.547 -3.703 1.00 0.00 H new ATOM 0 HB2 TYR A 23 4.582 -4.128 -4.848 1.00 0.00 H new ATOM 0 HB3 TYR A 23 3.749 -5.472 -5.605 1.00 0.00 H new ATOM 0 HD1 TYR A 23 1.602 -4.889 -6.984 1.00 0.00 H new ATOM 0 HD2 TYR A 23 4.526 -2.000 -5.862 1.00 0.00 H new ATOM 0 HE1 TYR A 23 0.814 -3.399 -8.771 1.00 0.00 H new ATOM 0 HE2 TYR A 23 3.737 -0.506 -7.644 1.00 0.00 H new ATOM 0 HH TYR A 23 2.315 -0.202 -9.306 1.00 0.00 H new ATOM 332 N ASP A 24 1.576 -6.586 -4.766 1.00 0.00 N ATOM 333 CA ASP A 24 0.456 -7.432 -5.163 1.00 0.00 C ATOM 334 C ASP A 24 -0.551 -7.569 -4.025 1.00 0.00 C ATOM 335 O ASP A 24 -1.741 -7.307 -4.199 1.00 0.00 O ATOM 336 CB ASP A 24 0.957 -8.813 -5.587 1.00 0.00 C ATOM 337 CG ASP A 24 1.284 -8.882 -7.065 1.00 0.00 C ATOM 338 OD1 ASP A 24 1.939 -7.948 -7.573 1.00 0.00 O ATOM 339 OD2 ASP A 24 0.885 -9.871 -7.715 1.00 0.00 O ATOM 0 H ASP A 24 2.486 -7.045 -4.804 1.00 0.00 H new ATOM 0 HA ASP A 24 -0.042 -6.960 -6.010 1.00 0.00 H new ATOM 0 HB2 ASP A 24 1.846 -9.067 -5.009 1.00 0.00 H new ATOM 0 HB3 ASP A 24 0.199 -9.560 -5.350 1.00 0.00 H new ATOM 344 N THR A 25 -0.065 -7.984 -2.859 1.00 0.00 N ATOM 345 CA THR A 25 -0.922 -8.159 -1.693 1.00 0.00 C ATOM 346 C THR A 25 -1.881 -6.985 -1.534 1.00 0.00 C ATOM 347 O THR A 25 -3.046 -7.165 -1.176 1.00 0.00 O ATOM 348 CB THR A 25 -0.093 -8.308 -0.403 1.00 0.00 C ATOM 349 OG1 THR A 25 0.561 -9.582 -0.386 1.00 0.00 O ATOM 350 CG2 THR A 25 -0.976 -8.168 0.827 1.00 0.00 C ATOM 0 H THR A 25 0.918 -8.205 -2.697 1.00 0.00 H new ATOM 0 HA THR A 25 -1.494 -9.072 -1.856 1.00 0.00 H new ATOM 0 HB THR A 25 0.655 -7.516 -0.384 1.00 0.00 H new ATOM 0 HG1 THR A 25 1.087 -9.669 0.436 1.00 0.00 H new ATOM 0 HG21 THR A 25 -0.368 -8.277 1.725 1.00 0.00 H new ATOM 0 HG22 THR A 25 -1.449 -7.186 0.826 1.00 0.00 H new ATOM 0 HG23 THR A 25 -1.745 -8.941 0.813 1.00 0.00 H new ATOM 358 N PHE A 26 -1.386 -5.782 -1.803 1.00 0.00 N ATOM 359 CA PHE A 26 -2.199 -4.577 -1.690 1.00 0.00 C ATOM 360 C PHE A 26 -2.758 -4.168 -3.050 1.00 0.00 C ATOM 361 O PHE A 26 -3.622 -3.296 -3.141 1.00 0.00 O ATOM 362 CB PHE A 26 -1.374 -3.432 -1.100 1.00 0.00 C ATOM 363 CG PHE A 26 -1.195 -3.527 0.389 1.00 0.00 C ATOM 364 CD1 PHE A 26 -0.511 -4.593 0.951 1.00 0.00 C ATOM 365 CD2 PHE A 26 -1.711 -2.551 1.226 1.00 0.00 C ATOM 366 CE1 PHE A 26 -0.344 -4.683 2.320 1.00 0.00 C ATOM 367 CE2 PHE A 26 -1.546 -2.636 2.595 1.00 0.00 C ATOM 368 CZ PHE A 26 -0.863 -3.704 3.143 1.00 0.00 C ATOM 0 H PHE A 26 -0.425 -5.615 -2.101 1.00 0.00 H new ATOM 0 HA PHE A 26 -3.034 -4.794 -1.024 1.00 0.00 H new ATOM 0 HB2 PHE A 26 -0.393 -3.419 -1.576 1.00 0.00 H new ATOM 0 HB3 PHE A 26 -1.858 -2.485 -1.340 1.00 0.00 H new ATOM 0 HD1 PHE A 26 -0.104 -5.362 0.312 1.00 0.00 H new ATOM 0 HD2 PHE A 26 -2.248 -1.715 0.804 1.00 0.00 H new ATOM 0 HE1 PHE A 26 0.192 -5.519 2.745 1.00 0.00 H new ATOM 0 HE2 PHE A 26 -1.951 -1.867 3.237 1.00 0.00 H new ATOM 0 HZ PHE A 26 -0.735 -3.773 4.213 1.00 0.00 H new ATOM 378 N SER A 27 -2.257 -4.804 -4.104 1.00 0.00 N ATOM 379 CA SER A 27 -2.702 -4.504 -5.460 1.00 0.00 C ATOM 380 C SER A 27 -4.136 -4.979 -5.679 1.00 0.00 C ATOM 381 O SER A 27 -4.924 -4.317 -6.353 1.00 0.00 O ATOM 382 CB SER A 27 -1.773 -5.163 -6.481 1.00 0.00 C ATOM 383 OG SER A 27 -2.118 -4.783 -7.803 1.00 0.00 O ATOM 0 H SER A 27 -1.543 -5.530 -4.045 1.00 0.00 H new ATOM 0 HA SER A 27 -2.671 -3.423 -5.596 1.00 0.00 H new ATOM 0 HB2 SER A 27 -0.741 -4.879 -6.275 1.00 0.00 H new ATOM 0 HB3 SER A 27 -1.831 -6.247 -6.384 1.00 0.00 H new ATOM 0 HG SER A 27 -1.509 -5.216 -8.437 1.00 0.00 H new ATOM 389 N ALA A 28 -4.465 -6.130 -5.103 1.00 0.00 N ATOM 390 CA ALA A 28 -5.804 -6.694 -5.233 1.00 0.00 C ATOM 391 C ALA A 28 -6.871 -5.647 -4.934 1.00 0.00 C ATOM 392 O ALA A 28 -7.801 -5.453 -5.717 1.00 0.00 O ATOM 393 CB ALA A 28 -5.963 -7.892 -4.309 1.00 0.00 C ATOM 0 H ALA A 28 -3.824 -6.691 -4.542 1.00 0.00 H new ATOM 0 HA ALA A 28 -5.935 -7.024 -6.264 1.00 0.00 H new ATOM 0 HB1 ALA A 28 -6.967 -8.303 -4.416 1.00 0.00 H new ATOM 0 HB2 ALA A 28 -5.229 -8.654 -4.571 1.00 0.00 H new ATOM 0 HB3 ALA A 28 -5.807 -7.578 -3.277 1.00 0.00 H new ATOM 399 N PHE A 29 -6.732 -4.974 -3.796 1.00 0.00 N ATOM 400 CA PHE A 29 -7.686 -3.947 -3.393 1.00 0.00 C ATOM 401 C PHE A 29 -7.676 -2.780 -4.376 1.00 0.00 C ATOM 402 O PHE A 29 -8.675 -2.502 -5.037 1.00 0.00 O ATOM 403 CB PHE A 29 -7.362 -3.446 -1.984 1.00 0.00 C ATOM 404 CG PHE A 29 -7.193 -4.549 -0.979 1.00 0.00 C ATOM 405 CD1 PHE A 29 -8.293 -5.084 -0.326 1.00 0.00 C ATOM 406 CD2 PHE A 29 -5.936 -5.052 -0.688 1.00 0.00 C ATOM 407 CE1 PHE A 29 -8.140 -6.098 0.599 1.00 0.00 C ATOM 408 CE2 PHE A 29 -5.777 -6.067 0.237 1.00 0.00 C ATOM 409 CZ PHE A 29 -6.880 -6.592 0.881 1.00 0.00 C ATOM 0 H PHE A 29 -5.968 -5.122 -3.137 1.00 0.00 H new ATOM 0 HA PHE A 29 -8.682 -4.390 -3.393 1.00 0.00 H new ATOM 0 HB2 PHE A 29 -6.447 -2.854 -2.019 1.00 0.00 H new ATOM 0 HB3 PHE A 29 -8.159 -2.781 -1.651 1.00 0.00 H new ATOM 0 HD1 PHE A 29 -9.280 -4.704 -0.543 1.00 0.00 H new ATOM 0 HD2 PHE A 29 -5.070 -4.647 -1.190 1.00 0.00 H new ATOM 0 HE1 PHE A 29 -9.005 -6.505 1.102 1.00 0.00 H new ATOM 0 HE2 PHE A 29 -4.791 -6.449 0.456 1.00 0.00 H new ATOM 0 HZ PHE A 29 -6.759 -7.386 1.603 1.00 0.00 H new ATOM 419 N GLY A 30 -6.538 -2.098 -4.464 1.00 0.00 N ATOM 420 CA GLY A 30 -6.418 -0.968 -5.367 1.00 0.00 C ATOM 421 C GLY A 30 -5.081 -0.935 -6.080 1.00 0.00 C ATOM 422 O GLY A 30 -4.203 -1.755 -5.809 1.00 0.00 O ATOM 0 H GLY A 30 -5.697 -2.308 -3.926 1.00 0.00 H new ATOM 0 HA2 GLY A 30 -7.219 -1.010 -6.105 1.00 0.00 H new ATOM 0 HA3 GLY A 30 -6.550 -0.043 -4.806 1.00 0.00 H new ATOM 426 N VAL A 31 -4.925 0.014 -6.998 1.00 0.00 N ATOM 427 CA VAL A 31 -3.685 0.151 -7.753 1.00 0.00 C ATOM 428 C VAL A 31 -2.691 1.044 -7.021 1.00 0.00 C ATOM 429 O VAL A 31 -3.024 2.158 -6.614 1.00 0.00 O ATOM 430 CB VAL A 31 -3.944 0.731 -9.156 1.00 0.00 C ATOM 431 CG1 VAL A 31 -2.632 1.085 -9.838 1.00 0.00 C ATOM 432 CG2 VAL A 31 -4.745 -0.250 -9.999 1.00 0.00 C ATOM 0 H VAL A 31 -5.642 0.699 -7.237 1.00 0.00 H new ATOM 0 HA VAL A 31 -3.264 -0.849 -7.853 1.00 0.00 H new ATOM 0 HB VAL A 31 -4.529 1.645 -9.050 1.00 0.00 H new ATOM 0 HG11 VAL A 31 -2.835 1.493 -10.828 1.00 0.00 H new ATOM 0 HG12 VAL A 31 -2.101 1.827 -9.242 1.00 0.00 H new ATOM 0 HG13 VAL A 31 -2.018 0.189 -9.934 1.00 0.00 H new ATOM 0 HG21 VAL A 31 -4.919 0.176 -10.987 1.00 0.00 H new ATOM 0 HG22 VAL A 31 -4.189 -1.182 -10.099 1.00 0.00 H new ATOM 0 HG23 VAL A 31 -5.702 -0.448 -9.516 1.00 0.00 H new ATOM 442 N ILE A 32 -1.469 0.550 -6.857 1.00 0.00 N ATOM 443 CA ILE A 32 -0.425 1.304 -6.175 1.00 0.00 C ATOM 444 C ILE A 32 0.230 2.311 -7.115 1.00 0.00 C ATOM 445 O ILE A 32 0.452 2.024 -8.292 1.00 0.00 O ATOM 446 CB ILE A 32 0.660 0.373 -5.602 1.00 0.00 C ATOM 447 CG1 ILE A 32 0.083 -0.483 -4.472 1.00 0.00 C ATOM 448 CG2 ILE A 32 1.847 1.186 -5.105 1.00 0.00 C ATOM 449 CD1 ILE A 32 0.918 -1.704 -4.153 1.00 0.00 C ATOM 0 H ILE A 32 -1.177 -0.370 -7.187 1.00 0.00 H new ATOM 0 HA ILE A 32 -0.906 1.836 -5.354 1.00 0.00 H new ATOM 0 HB ILE A 32 1.005 -0.290 -6.395 1.00 0.00 H new ATOM 0 HG12 ILE A 32 -0.010 0.129 -3.575 1.00 0.00 H new ATOM 0 HG13 ILE A 32 -0.923 -0.802 -4.746 1.00 0.00 H new ATOM 0 HG21 ILE A 32 2.605 0.514 -4.703 1.00 0.00 H new ATOM 0 HG22 ILE A 32 2.269 1.756 -5.932 1.00 0.00 H new ATOM 0 HG23 ILE A 32 1.517 1.870 -4.323 1.00 0.00 H new ATOM 0 HD11 ILE A 32 0.450 -2.264 -3.343 1.00 0.00 H new ATOM 0 HD12 ILE A 32 0.990 -2.337 -5.037 1.00 0.00 H new ATOM 0 HD13 ILE A 32 1.917 -1.392 -3.848 1.00 0.00 H new ATOM 461 N LEU A 33 0.538 3.491 -6.588 1.00 0.00 N ATOM 462 CA LEU A 33 1.169 4.541 -7.380 1.00 0.00 C ATOM 463 C LEU A 33 2.582 4.137 -7.792 1.00 0.00 C ATOM 464 O LEU A 33 2.955 4.257 -8.958 1.00 0.00 O ATOM 465 CB LEU A 33 1.211 5.849 -6.588 1.00 0.00 C ATOM 466 CG LEU A 33 -0.125 6.571 -6.414 1.00 0.00 C ATOM 467 CD1 LEU A 33 0.031 7.767 -5.487 1.00 0.00 C ATOM 468 CD2 LEU A 33 -0.675 7.008 -7.764 1.00 0.00 C ATOM 0 H LEU A 33 0.361 3.745 -5.616 1.00 0.00 H new ATOM 0 HA LEU A 33 0.575 4.689 -8.282 1.00 0.00 H new ATOM 0 HB2 LEU A 33 1.619 5.639 -5.599 1.00 0.00 H new ATOM 0 HB3 LEU A 33 1.906 6.528 -7.082 1.00 0.00 H new ATOM 0 HG LEU A 33 -0.835 5.878 -5.962 1.00 0.00 H new ATOM 0 HD11 LEU A 33 -0.930 8.268 -5.375 1.00 0.00 H new ATOM 0 HD12 LEU A 33 0.379 7.428 -4.511 1.00 0.00 H new ATOM 0 HD13 LEU A 33 0.756 8.463 -5.909 1.00 0.00 H new ATOM 0 HD21 LEU A 33 -1.626 7.520 -7.621 1.00 0.00 H new ATOM 0 HD22 LEU A 33 0.033 7.684 -8.244 1.00 0.00 H new ATOM 0 HD23 LEU A 33 -0.826 6.133 -8.396 1.00 0.00 H new ATOM 480 N GLN A 34 3.359 3.657 -6.827 1.00 0.00 N ATOM 481 CA GLN A 34 4.730 3.234 -7.090 1.00 0.00 C ATOM 482 C GLN A 34 5.213 2.257 -6.024 1.00 0.00 C ATOM 483 O GLN A 34 4.677 2.215 -4.916 1.00 0.00 O ATOM 484 CB GLN A 34 5.659 4.448 -7.145 1.00 0.00 C ATOM 485 CG GLN A 34 5.430 5.336 -8.358 1.00 0.00 C ATOM 486 CD GLN A 34 6.474 6.427 -8.488 1.00 0.00 C ATOM 487 OE1 GLN A 34 7.316 6.392 -9.386 1.00 0.00 O ATOM 488 NE2 GLN A 34 6.425 7.404 -7.591 1.00 0.00 N ATOM 0 H GLN A 34 3.063 3.551 -5.857 1.00 0.00 H new ATOM 0 HA GLN A 34 4.748 2.727 -8.055 1.00 0.00 H new ATOM 0 HB2 GLN A 34 5.522 5.041 -6.240 1.00 0.00 H new ATOM 0 HB3 GLN A 34 6.693 4.104 -7.147 1.00 0.00 H new ATOM 0 HG2 GLN A 34 5.437 4.723 -9.259 1.00 0.00 H new ATOM 0 HG3 GLN A 34 4.442 5.791 -8.289 1.00 0.00 H new ATOM 0 HE21 GLN A 34 5.710 7.393 -6.864 1.00 0.00 H new ATOM 0 HE22 GLN A 34 7.102 8.166 -7.629 1.00 0.00 H new ATOM 497 N THR A 35 6.229 1.471 -6.365 1.00 0.00 N ATOM 498 CA THR A 35 6.784 0.493 -5.437 1.00 0.00 C ATOM 499 C THR A 35 6.755 1.015 -4.005 1.00 0.00 C ATOM 500 O THR A 35 7.086 2.169 -3.733 1.00 0.00 O ATOM 501 CB THR A 35 8.233 0.126 -5.808 1.00 0.00 C ATOM 502 OG1 THR A 35 8.272 -0.452 -7.118 1.00 0.00 O ATOM 503 CG2 THR A 35 8.818 -0.851 -4.800 1.00 0.00 C ATOM 0 H THR A 35 6.685 1.492 -7.277 1.00 0.00 H new ATOM 0 HA THR A 35 6.161 -0.399 -5.508 1.00 0.00 H new ATOM 0 HB THR A 35 8.830 1.038 -5.796 1.00 0.00 H new ATOM 0 HG1 THR A 35 9.197 -0.681 -7.347 1.00 0.00 H new ATOM 0 HG21 THR A 35 9.842 -1.096 -5.083 1.00 0.00 H new ATOM 0 HG22 THR A 35 8.814 -0.397 -3.809 1.00 0.00 H new ATOM 0 HG23 THR A 35 8.218 -1.761 -4.785 1.00 0.00 H new ATOM 511 N PRO A 36 6.350 0.147 -3.066 1.00 0.00 N ATOM 512 CA PRO A 36 6.269 0.499 -1.645 1.00 0.00 C ATOM 513 C PRO A 36 7.645 0.688 -1.016 1.00 0.00 C ATOM 514 O PRO A 36 8.658 0.266 -1.574 1.00 0.00 O ATOM 515 CB PRO A 36 5.557 -0.704 -1.022 1.00 0.00 C ATOM 516 CG PRO A 36 5.856 -1.839 -1.941 1.00 0.00 C ATOM 517 CD PRO A 36 5.940 -1.244 -3.319 1.00 0.00 C ATOM 0 HA PRO A 36 5.752 1.446 -1.488 1.00 0.00 H new ATOM 0 HB2 PRO A 36 5.923 -0.903 -0.015 1.00 0.00 H new ATOM 0 HB3 PRO A 36 4.484 -0.531 -0.942 1.00 0.00 H new ATOM 0 HG2 PRO A 36 6.792 -2.326 -1.668 1.00 0.00 H new ATOM 0 HG3 PRO A 36 5.076 -2.598 -1.891 1.00 0.00 H new ATOM 0 HD2 PRO A 36 6.665 -1.770 -3.940 1.00 0.00 H new ATOM 0 HD3 PRO A 36 4.982 -1.293 -3.837 1.00 0.00 H new ATOM 525 N LYS A 37 7.675 1.326 0.149 1.00 0.00 N ATOM 526 CA LYS A 37 8.927 1.571 0.856 1.00 0.00 C ATOM 527 C LYS A 37 8.946 0.843 2.196 1.00 0.00 C ATOM 528 O LYS A 37 8.008 0.954 2.987 1.00 0.00 O ATOM 529 CB LYS A 37 9.127 3.072 1.076 1.00 0.00 C ATOM 530 CG LYS A 37 9.369 3.848 -0.207 1.00 0.00 C ATOM 531 CD LYS A 37 10.745 3.557 -0.783 1.00 0.00 C ATOM 532 CE LYS A 37 11.791 4.518 -0.239 1.00 0.00 C ATOM 533 NZ LYS A 37 11.759 5.830 -0.942 1.00 0.00 N ATOM 0 H LYS A 37 6.846 1.683 0.624 1.00 0.00 H new ATOM 0 HA LYS A 37 9.743 1.188 0.243 1.00 0.00 H new ATOM 0 HB2 LYS A 37 8.247 3.478 1.576 1.00 0.00 H new ATOM 0 HB3 LYS A 37 9.973 3.223 1.747 1.00 0.00 H new ATOM 0 HG2 LYS A 37 8.605 3.589 -0.940 1.00 0.00 H new ATOM 0 HG3 LYS A 37 9.274 4.916 -0.011 1.00 0.00 H new ATOM 0 HD2 LYS A 37 11.031 2.533 -0.545 1.00 0.00 H new ATOM 0 HD3 LYS A 37 10.709 3.633 -1.870 1.00 0.00 H new ATOM 0 HE2 LYS A 37 11.622 4.673 0.827 1.00 0.00 H new ATOM 0 HE3 LYS A 37 12.781 4.074 -0.344 1.00 0.00 H new ATOM 0 HZ1 LYS A 37 12.487 6.456 -0.542 1.00 0.00 H new ATOM 0 HZ2 LYS A 37 11.945 5.686 -1.955 1.00 0.00 H new ATOM 0 HZ3 LYS A 37 10.823 6.266 -0.821 1.00 0.00 H new ATOM 547 N ILE A 38 10.018 0.099 2.445 1.00 0.00 N ATOM 548 CA ILE A 38 10.159 -0.645 3.691 1.00 0.00 C ATOM 549 C ILE A 38 11.351 -0.143 4.499 1.00 0.00 C ATOM 550 O ILE A 38 12.492 -0.203 4.043 1.00 0.00 O ATOM 551 CB ILE A 38 10.329 -2.153 3.430 1.00 0.00 C ATOM 552 CG1 ILE A 38 9.054 -2.733 2.814 1.00 0.00 C ATOM 553 CG2 ILE A 38 10.676 -2.878 4.722 1.00 0.00 C ATOM 554 CD1 ILE A 38 9.262 -4.075 2.148 1.00 0.00 C ATOM 0 H ILE A 38 10.802 -0.005 1.801 1.00 0.00 H new ATOM 0 HA ILE A 38 9.243 -0.484 4.260 1.00 0.00 H new ATOM 0 HB ILE A 38 11.148 -2.295 2.725 1.00 0.00 H new ATOM 0 HG12 ILE A 38 8.298 -2.836 3.593 1.00 0.00 H new ATOM 0 HG13 ILE A 38 8.662 -2.029 2.080 1.00 0.00 H new ATOM 0 HG21 ILE A 38 10.793 -3.943 4.521 1.00 0.00 H new ATOM 0 HG22 ILE A 38 11.608 -2.480 5.124 1.00 0.00 H new ATOM 0 HG23 ILE A 38 9.876 -2.731 5.448 1.00 0.00 H new ATOM 0 HD11 ILE A 38 8.317 -4.426 1.734 1.00 0.00 H new ATOM 0 HD12 ILE A 38 9.994 -3.974 1.347 1.00 0.00 H new ATOM 0 HD13 ILE A 38 9.625 -4.794 2.883 1.00 0.00 H new ATOM 566 N MET A 39 11.077 0.352 5.702 1.00 0.00 N ATOM 567 CA MET A 39 12.128 0.861 6.576 1.00 0.00 C ATOM 568 C MET A 39 12.908 -0.284 7.213 1.00 0.00 C ATOM 569 O MET A 39 12.326 -1.279 7.645 1.00 0.00 O ATOM 570 CB MET A 39 11.527 1.753 7.664 1.00 0.00 C ATOM 571 CG MET A 39 11.415 3.214 7.259 1.00 0.00 C ATOM 572 SD MET A 39 10.823 3.423 5.569 1.00 0.00 S ATOM 573 CE MET A 39 9.072 3.112 5.782 1.00 0.00 C ATOM 0 H MET A 39 10.137 0.411 6.093 1.00 0.00 H new ATOM 0 HA MET A 39 12.816 1.452 5.971 1.00 0.00 H new ATOM 0 HB2 MET A 39 10.536 1.379 7.923 1.00 0.00 H new ATOM 0 HB3 MET A 39 12.140 1.679 8.562 1.00 0.00 H new ATOM 0 HG2 MET A 39 10.738 3.726 7.943 1.00 0.00 H new ATOM 0 HG3 MET A 39 12.390 3.691 7.360 1.00 0.00 H new ATOM 0 HE1 MET A 39 8.818 2.146 5.345 1.00 0.00 H new ATOM 0 HE2 MET A 39 8.830 3.105 6.845 1.00 0.00 H new ATOM 0 HE3 MET A 39 8.500 3.896 5.285 1.00 0.00 H new ATOM 691 N LYS A 48 12.559 -3.717 9.781 1.00 0.00 N ATOM 692 CA LYS A 48 12.083 -3.191 11.055 1.00 0.00 C ATOM 693 C LYS A 48 10.730 -3.794 11.421 1.00 0.00 C ATOM 694 O LYS A 48 10.570 -4.380 12.491 1.00 0.00 O ATOM 695 CB LYS A 48 11.973 -1.665 10.991 1.00 0.00 C ATOM 696 CG LYS A 48 13.279 -0.948 11.287 1.00 0.00 C ATOM 697 CD LYS A 48 13.360 0.384 10.560 1.00 0.00 C ATOM 698 CE LYS A 48 14.271 1.361 11.288 1.00 0.00 C ATOM 699 NZ LYS A 48 13.933 2.776 10.970 1.00 0.00 N ATOM 0 HA LYS A 48 12.804 -3.465 11.825 1.00 0.00 H new ATOM 0 HB2 LYS A 48 11.626 -1.375 9.999 1.00 0.00 H new ATOM 0 HB3 LYS A 48 11.217 -1.333 11.703 1.00 0.00 H new ATOM 0 HG2 LYS A 48 13.370 -0.784 12.361 1.00 0.00 H new ATOM 0 HG3 LYS A 48 14.117 -1.578 10.989 1.00 0.00 H new ATOM 0 HD2 LYS A 48 13.730 0.225 9.547 1.00 0.00 H new ATOM 0 HD3 LYS A 48 12.362 0.813 10.471 1.00 0.00 H new ATOM 0 HE2 LYS A 48 14.190 1.201 12.363 1.00 0.00 H new ATOM 0 HE3 LYS A 48 15.307 1.165 11.014 1.00 0.00 H new ATOM 0 HZ1 LYS A 48 14.647 3.406 11.389 1.00 0.00 H new ATOM 0 HZ2 LYS A 48 13.919 2.906 9.938 1.00 0.00 H new ATOM 0 HZ3 LYS A 48 12.997 3.006 11.361 1.00 0.00 H new ATOM 713 N GLY A 49 9.759 -3.647 10.525 1.00 0.00 N ATOM 714 CA GLY A 49 8.434 -4.183 10.772 1.00 0.00 C ATOM 715 C GLY A 49 7.335 -3.274 10.259 1.00 0.00 C ATOM 716 O GLY A 49 6.187 -3.695 10.115 1.00 0.00 O ATOM 0 H GLY A 49 9.867 -3.166 9.632 1.00 0.00 H new ATOM 0 HA2 GLY A 49 8.346 -5.159 10.295 1.00 0.00 H new ATOM 0 HA3 GLY A 49 8.302 -4.338 11.843 1.00 0.00 H new ATOM 720 N TYR A 50 7.685 -2.022 9.985 1.00 0.00 N ATOM 721 CA TYR A 50 6.719 -1.049 9.490 1.00 0.00 C ATOM 722 C TYR A 50 7.090 -0.579 8.087 1.00 0.00 C ATOM 723 O TYR A 50 8.252 -0.284 7.805 1.00 0.00 O ATOM 724 CB TYR A 50 6.639 0.149 10.437 1.00 0.00 C ATOM 725 CG TYR A 50 7.985 0.596 10.963 1.00 0.00 C ATOM 726 CD1 TYR A 50 8.833 1.375 10.186 1.00 0.00 C ATOM 727 CD2 TYR A 50 8.408 0.238 12.237 1.00 0.00 C ATOM 728 CE1 TYR A 50 10.063 1.785 10.662 1.00 0.00 C ATOM 729 CE2 TYR A 50 9.636 0.645 12.722 1.00 0.00 C ATOM 730 CZ TYR A 50 10.460 1.418 11.931 1.00 0.00 C ATOM 731 OH TYR A 50 11.684 1.823 12.410 1.00 0.00 O ATOM 0 H TYR A 50 8.631 -1.657 10.097 1.00 0.00 H new ATOM 0 HA TYR A 50 5.744 -1.534 9.445 1.00 0.00 H new ATOM 0 HB2 TYR A 50 6.167 0.982 9.916 1.00 0.00 H new ATOM 0 HB3 TYR A 50 5.996 -0.106 11.279 1.00 0.00 H new ATOM 0 HD1 TYR A 50 8.525 1.665 9.192 1.00 0.00 H new ATOM 0 HD2 TYR A 50 7.766 -0.369 12.859 1.00 0.00 H new ATOM 0 HE1 TYR A 50 10.710 2.390 10.044 1.00 0.00 H new ATOM 0 HE2 TYR A 50 9.949 0.359 13.715 1.00 0.00 H new ATOM 0 HH TYR A 50 11.809 1.480 13.320 1.00 0.00 H new ATOM 741 N ALA A 51 6.094 -0.510 7.210 1.00 0.00 N ATOM 742 CA ALA A 51 6.313 -0.073 5.837 1.00 0.00 C ATOM 743 C ALA A 51 5.235 0.910 5.395 1.00 0.00 C ATOM 744 O ALA A 51 4.094 0.843 5.853 1.00 0.00 O ATOM 745 CB ALA A 51 6.352 -1.273 4.901 1.00 0.00 C ATOM 0 H ALA A 51 5.127 -0.751 7.426 1.00 0.00 H new ATOM 0 HA ALA A 51 7.274 0.439 5.794 1.00 0.00 H new ATOM 0 HB1 ALA A 51 6.516 -0.932 3.879 1.00 0.00 H new ATOM 0 HB2 ALA A 51 7.163 -1.938 5.196 1.00 0.00 H new ATOM 0 HB3 ALA A 51 5.405 -1.809 4.957 1.00 0.00 H new ATOM 751 N PHE A 52 5.604 1.823 4.502 1.00 0.00 N ATOM 752 CA PHE A 52 4.668 2.822 3.999 1.00 0.00 C ATOM 753 C PHE A 52 4.310 2.548 2.542 1.00 0.00 C ATOM 754 O PHE A 52 5.180 2.238 1.726 1.00 0.00 O ATOM 755 CB PHE A 52 5.265 4.225 4.135 1.00 0.00 C ATOM 756 CG PHE A 52 5.281 4.735 5.547 1.00 0.00 C ATOM 757 CD1 PHE A 52 5.875 3.997 6.558 1.00 0.00 C ATOM 758 CD2 PHE A 52 4.703 5.954 5.864 1.00 0.00 C ATOM 759 CE1 PHE A 52 5.891 4.465 7.858 1.00 0.00 C ATOM 760 CE2 PHE A 52 4.716 6.427 7.163 1.00 0.00 C ATOM 761 CZ PHE A 52 5.312 5.681 8.161 1.00 0.00 C ATOM 0 H PHE A 52 6.544 1.892 4.112 1.00 0.00 H new ATOM 0 HA PHE A 52 3.757 2.763 4.595 1.00 0.00 H new ATOM 0 HB2 PHE A 52 6.284 4.217 3.749 1.00 0.00 H new ATOM 0 HB3 PHE A 52 4.694 4.916 3.514 1.00 0.00 H new ATOM 0 HD1 PHE A 52 6.331 3.045 6.327 1.00 0.00 H new ATOM 0 HD2 PHE A 52 4.237 6.542 5.087 1.00 0.00 H new ATOM 0 HE1 PHE A 52 6.356 3.879 8.637 1.00 0.00 H new ATOM 0 HE2 PHE A 52 4.261 7.378 7.397 1.00 0.00 H new ATOM 0 HZ PHE A 52 5.325 6.048 9.177 1.00 0.00 H new ATOM 771 N ILE A 53 3.026 2.663 2.222 1.00 0.00 N ATOM 772 CA ILE A 53 2.554 2.428 0.863 1.00 0.00 C ATOM 773 C ILE A 53 1.472 3.431 0.476 1.00 0.00 C ATOM 774 O ILE A 53 0.588 3.745 1.272 1.00 0.00 O ATOM 775 CB ILE A 53 1.997 1.002 0.699 1.00 0.00 C ATOM 776 CG1 ILE A 53 2.915 -0.010 1.388 1.00 0.00 C ATOM 777 CG2 ILE A 53 1.836 0.661 -0.775 1.00 0.00 C ATOM 778 CD1 ILE A 53 2.404 -1.432 1.322 1.00 0.00 C ATOM 0 H ILE A 53 2.294 2.917 2.885 1.00 0.00 H new ATOM 0 HA ILE A 53 3.414 2.552 0.205 1.00 0.00 H new ATOM 0 HB ILE A 53 1.016 0.955 1.171 1.00 0.00 H new ATOM 0 HG12 ILE A 53 3.902 0.035 0.927 1.00 0.00 H new ATOM 0 HG13 ILE A 53 3.038 0.275 2.433 1.00 0.00 H new ATOM 0 HG21 ILE A 53 1.441 -0.350 -0.874 1.00 0.00 H new ATOM 0 HG22 ILE A 53 1.146 1.366 -1.238 1.00 0.00 H new ATOM 0 HG23 ILE A 53 2.805 0.722 -1.271 1.00 0.00 H new ATOM 0 HD11 ILE A 53 3.105 -2.094 1.830 1.00 0.00 H new ATOM 0 HD12 ILE A 53 1.430 -1.492 1.808 1.00 0.00 H new ATOM 0 HD13 ILE A 53 2.308 -1.736 0.280 1.00 0.00 H new ATOM 790 N ASN A 54 1.549 3.931 -0.754 1.00 0.00 N ATOM 791 CA ASN A 54 0.576 4.898 -1.248 1.00 0.00 C ATOM 792 C ASN A 54 -0.283 4.290 -2.352 1.00 0.00 C ATOM 793 O ASN A 54 0.211 3.541 -3.196 1.00 0.00 O ATOM 794 CB ASN A 54 1.288 6.148 -1.770 1.00 0.00 C ATOM 795 CG ASN A 54 2.236 6.743 -0.747 1.00 0.00 C ATOM 796 OD1 ASN A 54 3.142 6.068 -0.257 1.00 0.00 O ATOM 797 ND2 ASN A 54 2.030 8.013 -0.418 1.00 0.00 N ATOM 0 H ASN A 54 2.275 3.682 -1.426 1.00 0.00 H new ATOM 0 HA ASN A 54 -0.074 5.178 -0.419 1.00 0.00 H new ATOM 0 HB2 ASN A 54 1.844 5.896 -2.673 1.00 0.00 H new ATOM 0 HB3 ASN A 54 0.546 6.895 -2.051 1.00 0.00 H new ATOM 0 HD21 ASN A 54 2.635 8.467 0.266 1.00 0.00 H new ATOM 0 HD22 ASN A 54 1.267 8.534 -0.849 1.00 0.00 H new ATOM 804 N PHE A 55 -1.571 4.617 -2.341 1.00 0.00 N ATOM 805 CA PHE A 55 -2.499 4.103 -3.341 1.00 0.00 C ATOM 806 C PHE A 55 -2.825 5.172 -4.380 1.00 0.00 C ATOM 807 O PHE A 55 -2.435 6.330 -4.239 1.00 0.00 O ATOM 808 CB PHE A 55 -3.786 3.618 -2.671 1.00 0.00 C ATOM 809 CG PHE A 55 -3.735 2.177 -2.248 1.00 0.00 C ATOM 810 CD1 PHE A 55 -3.222 1.822 -1.012 1.00 0.00 C ATOM 811 CD2 PHE A 55 -4.202 1.178 -3.087 1.00 0.00 C ATOM 812 CE1 PHE A 55 -3.173 0.498 -0.620 1.00 0.00 C ATOM 813 CE2 PHE A 55 -4.156 -0.148 -2.701 1.00 0.00 C ATOM 814 CZ PHE A 55 -3.642 -0.489 -1.466 1.00 0.00 C ATOM 0 H PHE A 55 -1.996 5.236 -1.650 1.00 0.00 H new ATOM 0 HA PHE A 55 -2.022 3.263 -3.846 1.00 0.00 H new ATOM 0 HB2 PHE A 55 -3.987 4.238 -1.797 1.00 0.00 H new ATOM 0 HB3 PHE A 55 -4.619 3.757 -3.360 1.00 0.00 H new ATOM 0 HD1 PHE A 55 -2.856 2.589 -0.346 1.00 0.00 H new ATOM 0 HD2 PHE A 55 -4.607 1.439 -4.054 1.00 0.00 H new ATOM 0 HE1 PHE A 55 -2.769 0.235 0.346 1.00 0.00 H new ATOM 0 HE2 PHE A 55 -4.522 -0.917 -3.365 1.00 0.00 H new ATOM 0 HZ PHE A 55 -3.606 -1.525 -1.162 1.00 0.00 H new ATOM 824 N ALA A 56 -3.543 4.773 -5.425 1.00 0.00 N ATOM 825 CA ALA A 56 -3.923 5.695 -6.488 1.00 0.00 C ATOM 826 C ALA A 56 -4.895 6.753 -5.975 1.00 0.00 C ATOM 827 O ALA A 56 -4.739 7.941 -6.256 1.00 0.00 O ATOM 828 CB ALA A 56 -4.536 4.934 -7.654 1.00 0.00 C ATOM 0 H ALA A 56 -3.873 3.817 -5.558 1.00 0.00 H new ATOM 0 HA ALA A 56 -3.022 6.203 -6.834 1.00 0.00 H new ATOM 0 HB1 ALA A 56 -4.815 5.636 -8.440 1.00 0.00 H new ATOM 0 HB2 ALA A 56 -3.810 4.221 -8.045 1.00 0.00 H new ATOM 0 HB3 ALA A 56 -5.423 4.399 -7.314 1.00 0.00 H new ATOM 834 N SER A 57 -5.899 6.313 -5.223 1.00 0.00 N ATOM 835 CA SER A 57 -6.899 7.222 -4.675 1.00 0.00 C ATOM 836 C SER A 57 -7.336 6.773 -3.284 1.00 0.00 C ATOM 837 O SER A 57 -6.833 5.783 -2.751 1.00 0.00 O ATOM 838 CB SER A 57 -8.113 7.298 -5.603 1.00 0.00 C ATOM 839 OG SER A 57 -8.858 8.481 -5.372 1.00 0.00 O ATOM 0 H SER A 57 -6.041 5.333 -4.979 1.00 0.00 H new ATOM 0 HA SER A 57 -6.450 8.212 -4.595 1.00 0.00 H new ATOM 0 HB2 SER A 57 -7.783 7.269 -6.642 1.00 0.00 H new ATOM 0 HB3 SER A 57 -8.750 6.427 -5.446 1.00 0.00 H new ATOM 0 HG SER A 57 -9.627 8.507 -5.978 1.00 0.00 H new ATOM 845 N PHE A 58 -8.276 7.509 -2.700 1.00 0.00 N ATOM 846 CA PHE A 58 -8.781 7.189 -1.370 1.00 0.00 C ATOM 847 C PHE A 58 -9.584 5.892 -1.391 1.00 0.00 C ATOM 848 O PHE A 58 -9.355 4.994 -0.580 1.00 0.00 O ATOM 849 CB PHE A 58 -9.652 8.332 -0.844 1.00 0.00 C ATOM 850 CG PHE A 58 -8.934 9.650 -0.774 1.00 0.00 C ATOM 851 CD1 PHE A 58 -8.787 10.434 -1.907 1.00 0.00 C ATOM 852 CD2 PHE A 58 -8.407 10.104 0.424 1.00 0.00 C ATOM 853 CE1 PHE A 58 -8.126 11.646 -1.846 1.00 0.00 C ATOM 854 CE2 PHE A 58 -7.745 11.316 0.491 1.00 0.00 C ATOM 855 CZ PHE A 58 -7.606 12.088 -0.645 1.00 0.00 C ATOM 0 H PHE A 58 -8.703 8.331 -3.127 1.00 0.00 H new ATOM 0 HA PHE A 58 -7.927 7.056 -0.706 1.00 0.00 H new ATOM 0 HB2 PHE A 58 -10.526 8.437 -1.487 1.00 0.00 H new ATOM 0 HB3 PHE A 58 -10.016 8.073 0.150 1.00 0.00 H new ATOM 0 HD1 PHE A 58 -9.193 10.094 -2.848 1.00 0.00 H new ATOM 0 HD2 PHE A 58 -8.514 9.504 1.316 1.00 0.00 H new ATOM 0 HE1 PHE A 58 -8.016 12.247 -2.736 1.00 0.00 H new ATOM 0 HE2 PHE A 58 -7.337 11.658 1.431 1.00 0.00 H new ATOM 0 HZ PHE A 58 -7.091 13.036 -0.595 1.00 0.00 H new ATOM 865 N ASP A 59 -10.526 5.800 -2.323 1.00 0.00 N ATOM 866 CA ASP A 59 -11.363 4.613 -2.451 1.00 0.00 C ATOM 867 C ASP A 59 -10.527 3.343 -2.328 1.00 0.00 C ATOM 868 O ASP A 59 -10.889 2.418 -1.601 1.00 0.00 O ATOM 869 CB ASP A 59 -12.100 4.625 -3.791 1.00 0.00 C ATOM 870 CG ASP A 59 -12.660 5.992 -4.131 1.00 0.00 C ATOM 871 OD1 ASP A 59 -13.532 6.479 -3.382 1.00 0.00 O ATOM 872 OD2 ASP A 59 -12.228 6.575 -5.148 1.00 0.00 O ATOM 0 H ASP A 59 -10.729 6.534 -3.002 1.00 0.00 H new ATOM 0 HA ASP A 59 -12.094 4.625 -1.643 1.00 0.00 H new ATOM 0 HB2 ASP A 59 -11.418 4.308 -4.580 1.00 0.00 H new ATOM 0 HB3 ASP A 59 -12.913 3.899 -3.762 1.00 0.00 H new ATOM 877 N ALA A 60 -9.408 3.306 -3.044 1.00 0.00 N ATOM 878 CA ALA A 60 -8.520 2.150 -3.014 1.00 0.00 C ATOM 879 C ALA A 60 -8.069 1.841 -1.590 1.00 0.00 C ATOM 880 O ALA A 60 -8.202 0.712 -1.118 1.00 0.00 O ATOM 881 CB ALA A 60 -7.315 2.386 -3.912 1.00 0.00 C ATOM 0 H ALA A 60 -9.095 4.063 -3.652 1.00 0.00 H new ATOM 0 HA ALA A 60 -9.073 1.288 -3.387 1.00 0.00 H new ATOM 0 HB1 ALA A 60 -6.661 1.515 -3.880 1.00 0.00 H new ATOM 0 HB2 ALA A 60 -7.651 2.550 -4.936 1.00 0.00 H new ATOM 0 HB3 ALA A 60 -6.769 3.263 -3.565 1.00 0.00 H new ATOM 887 N SER A 61 -7.534 2.851 -0.911 1.00 0.00 N ATOM 888 CA SER A 61 -7.059 2.686 0.457 1.00 0.00 C ATOM 889 C SER A 61 -8.195 2.250 1.378 1.00 0.00 C ATOM 890 O SER A 61 -8.074 1.267 2.109 1.00 0.00 O ATOM 891 CB SER A 61 -6.446 3.991 0.968 1.00 0.00 C ATOM 892 OG SER A 61 -7.357 5.068 0.836 1.00 0.00 O ATOM 0 H SER A 61 -7.419 3.792 -1.287 1.00 0.00 H new ATOM 0 HA SER A 61 -6.295 1.909 0.458 1.00 0.00 H new ATOM 0 HB2 SER A 61 -6.161 3.878 2.014 1.00 0.00 H new ATOM 0 HB3 SER A 61 -5.535 4.211 0.412 1.00 0.00 H new ATOM 0 HG SER A 61 -7.952 4.902 0.076 1.00 0.00 H new ATOM 898 N ASP A 62 -9.298 2.988 1.336 1.00 0.00 N ATOM 899 CA ASP A 62 -10.458 2.679 2.164 1.00 0.00 C ATOM 900 C ASP A 62 -10.714 1.176 2.201 1.00 0.00 C ATOM 901 O ASP A 62 -11.006 0.612 3.255 1.00 0.00 O ATOM 902 CB ASP A 62 -11.696 3.408 1.639 1.00 0.00 C ATOM 903 CG ASP A 62 -12.743 3.620 2.715 1.00 0.00 C ATOM 904 OD1 ASP A 62 -12.374 3.625 3.908 1.00 0.00 O ATOM 905 OD2 ASP A 62 -13.931 3.780 2.364 1.00 0.00 O ATOM 0 H ASP A 62 -9.414 3.805 0.737 1.00 0.00 H new ATOM 0 HA ASP A 62 -10.250 3.019 3.179 1.00 0.00 H new ATOM 0 HB2 ASP A 62 -11.399 4.374 1.230 1.00 0.00 H new ATOM 0 HB3 ASP A 62 -12.131 2.835 0.820 1.00 0.00 H new ATOM 910 N ALA A 63 -10.604 0.534 1.043 1.00 0.00 N ATOM 911 CA ALA A 63 -10.823 -0.904 0.943 1.00 0.00 C ATOM 912 C ALA A 63 -9.826 -1.672 1.804 1.00 0.00 C ATOM 913 O ALA A 63 -10.190 -2.632 2.483 1.00 0.00 O ATOM 914 CB ALA A 63 -10.725 -1.353 -0.508 1.00 0.00 C ATOM 0 H ALA A 63 -10.365 0.987 0.161 1.00 0.00 H new ATOM 0 HA ALA A 63 -11.825 -1.121 1.312 1.00 0.00 H new ATOM 0 HB1 ALA A 63 -10.891 -2.429 -0.568 1.00 0.00 H new ATOM 0 HB2 ALA A 63 -11.480 -0.836 -1.101 1.00 0.00 H new ATOM 0 HB3 ALA A 63 -9.734 -1.116 -0.896 1.00 0.00 H new ATOM 920 N ALA A 64 -8.569 -1.244 1.771 1.00 0.00 N ATOM 921 CA ALA A 64 -7.521 -1.891 2.550 1.00 0.00 C ATOM 922 C ALA A 64 -7.645 -1.547 4.031 1.00 0.00 C ATOM 923 O ALA A 64 -7.767 -2.435 4.875 1.00 0.00 O ATOM 924 CB ALA A 64 -6.150 -1.490 2.027 1.00 0.00 C ATOM 0 H ALA A 64 -8.251 -0.452 1.213 1.00 0.00 H new ATOM 0 HA ALA A 64 -7.638 -2.969 2.443 1.00 0.00 H new ATOM 0 HB1 ALA A 64 -5.377 -1.981 2.618 1.00 0.00 H new ATOM 0 HB2 ALA A 64 -6.056 -1.792 0.984 1.00 0.00 H new ATOM 0 HB3 ALA A 64 -6.033 -0.409 2.103 1.00 0.00 H new ATOM 930 N ILE A 65 -7.613 -0.255 4.338 1.00 0.00 N ATOM 931 CA ILE A 65 -7.723 0.205 5.717 1.00 0.00 C ATOM 932 C ILE A 65 -8.862 -0.502 6.443 1.00 0.00 C ATOM 933 O ILE A 65 -8.888 -0.556 7.672 1.00 0.00 O ATOM 934 CB ILE A 65 -7.950 1.726 5.786 1.00 0.00 C ATOM 935 CG1 ILE A 65 -6.797 2.468 5.107 1.00 0.00 C ATOM 936 CG2 ILE A 65 -8.096 2.175 7.233 1.00 0.00 C ATOM 937 CD1 ILE A 65 -6.978 3.970 5.078 1.00 0.00 C ATOM 0 H ILE A 65 -7.512 0.492 3.651 1.00 0.00 H new ATOM 0 HA ILE A 65 -6.779 -0.036 6.207 1.00 0.00 H new ATOM 0 HB ILE A 65 -8.872 1.964 5.257 1.00 0.00 H new ATOM 0 HG12 ILE A 65 -5.868 2.232 5.626 1.00 0.00 H new ATOM 0 HG13 ILE A 65 -6.693 2.103 4.085 1.00 0.00 H new ATOM 0 HG21 ILE A 65 -8.256 3.253 7.265 1.00 0.00 H new ATOM 0 HG22 ILE A 65 -8.947 1.668 7.687 1.00 0.00 H new ATOM 0 HG23 ILE A 65 -7.189 1.926 7.784 1.00 0.00 H new ATOM 0 HD11 ILE A 65 -6.123 4.430 4.582 1.00 0.00 H new ATOM 0 HD12 ILE A 65 -7.889 4.216 4.533 1.00 0.00 H new ATOM 0 HD13 ILE A 65 -7.052 4.347 6.098 1.00 0.00 H new ATOM 949 N GLU A 66 -9.801 -1.044 5.673 1.00 0.00 N ATOM 950 CA GLU A 66 -10.943 -1.748 6.244 1.00 0.00 C ATOM 951 C GLU A 66 -10.612 -3.219 6.481 1.00 0.00 C ATOM 952 O GLU A 66 -10.694 -3.711 7.606 1.00 0.00 O ATOM 953 CB GLU A 66 -12.157 -1.630 5.321 1.00 0.00 C ATOM 954 CG GLU A 66 -13.406 -2.300 5.869 1.00 0.00 C ATOM 955 CD GLU A 66 -13.247 -3.801 6.014 1.00 0.00 C ATOM 956 OE1 GLU A 66 -12.999 -4.472 4.990 1.00 0.00 O ATOM 957 OE2 GLU A 66 -13.372 -4.304 7.150 1.00 0.00 O ATOM 0 H GLU A 66 -9.793 -1.009 4.654 1.00 0.00 H new ATOM 0 HA GLU A 66 -11.179 -1.287 7.203 1.00 0.00 H new ATOM 0 HB2 GLU A 66 -12.368 -0.575 5.145 1.00 0.00 H new ATOM 0 HB3 GLU A 66 -11.912 -2.071 4.355 1.00 0.00 H new ATOM 0 HG2 GLU A 66 -13.649 -1.869 6.840 1.00 0.00 H new ATOM 0 HG3 GLU A 66 -14.247 -2.090 5.208 1.00 0.00 H new ATOM 964 N ALA A 67 -10.238 -3.915 5.413 1.00 0.00 N ATOM 965 CA ALA A 67 -9.893 -5.328 5.503 1.00 0.00 C ATOM 966 C ALA A 67 -8.467 -5.513 6.013 1.00 0.00 C ATOM 967 O ALA A 67 -8.246 -6.125 7.057 1.00 0.00 O ATOM 968 CB ALA A 67 -10.063 -6.001 4.150 1.00 0.00 C ATOM 0 H ALA A 67 -10.166 -3.523 4.474 1.00 0.00 H new ATOM 0 HA ALA A 67 -10.571 -5.797 6.216 1.00 0.00 H new ATOM 0 HB1 ALA A 67 -9.802 -7.056 4.233 1.00 0.00 H new ATOM 0 HB2 ALA A 67 -11.099 -5.908 3.825 1.00 0.00 H new ATOM 0 HB3 ALA A 67 -9.410 -5.522 3.421 1.00 0.00 H new ATOM 974 N MET A 68 -7.504 -4.982 5.267 1.00 0.00 N ATOM 975 CA MET A 68 -6.099 -5.090 5.644 1.00 0.00 C ATOM 976 C MET A 68 -5.906 -4.760 7.121 1.00 0.00 C ATOM 977 O MET A 68 -4.996 -5.276 7.767 1.00 0.00 O ATOM 978 CB MET A 68 -5.246 -4.155 4.785 1.00 0.00 C ATOM 979 CG MET A 68 -5.229 -4.529 3.312 1.00 0.00 C ATOM 980 SD MET A 68 -4.897 -6.281 3.044 1.00 0.00 S ATOM 981 CE MET A 68 -3.180 -6.381 3.545 1.00 0.00 C ATOM 0 H MET A 68 -7.670 -4.473 4.399 1.00 0.00 H new ATOM 0 HA MET A 68 -5.781 -6.119 5.475 1.00 0.00 H new ATOM 0 HB2 MET A 68 -5.621 -3.137 4.889 1.00 0.00 H new ATOM 0 HB3 MET A 68 -4.224 -4.158 5.164 1.00 0.00 H new ATOM 0 HG2 MET A 68 -6.189 -4.273 2.865 1.00 0.00 H new ATOM 0 HG3 MET A 68 -4.471 -3.937 2.800 1.00 0.00 H new ATOM 0 HE1 MET A 68 -2.549 -6.483 2.662 1.00 0.00 H new ATOM 0 HE2 MET A 68 -2.905 -5.475 4.085 1.00 0.00 H new ATOM 0 HE3 MET A 68 -3.040 -7.246 4.193 1.00 0.00 H new ATOM 991 N ASN A 69 -6.769 -3.897 7.648 1.00 0.00 N ATOM 992 CA ASN A 69 -6.692 -3.498 9.048 1.00 0.00 C ATOM 993 C ASN A 69 -6.804 -4.712 9.966 1.00 0.00 C ATOM 994 O ASN A 69 -7.861 -4.975 10.538 1.00 0.00 O ATOM 995 CB ASN A 69 -7.798 -2.493 9.375 1.00 0.00 C ATOM 996 CG ASN A 69 -8.125 -2.455 10.856 1.00 0.00 C ATOM 997 OD1 ASN A 69 -9.163 -2.958 11.286 1.00 0.00 O ATOM 998 ND2 ASN A 69 -7.239 -1.856 11.642 1.00 0.00 N ATOM 0 H ASN A 69 -7.529 -3.461 7.126 1.00 0.00 H new ATOM 0 HA ASN A 69 -5.723 -3.028 9.214 1.00 0.00 H new ATOM 0 HB2 ASN A 69 -7.491 -1.500 9.048 1.00 0.00 H new ATOM 0 HB3 ASN A 69 -8.696 -2.750 8.814 1.00 0.00 H new ATOM 0 HD21 ASN A 69 -7.405 -1.799 12.647 1.00 0.00 H new ATOM 0 HD22 ASN A 69 -6.392 -1.453 11.241 1.00 0.00 H new ATOM 1005 N GLY A 70 -5.705 -5.448 10.103 1.00 0.00 N ATOM 1006 CA GLY A 70 -5.701 -6.624 10.953 1.00 0.00 C ATOM 1007 C GLY A 70 -5.422 -7.897 10.179 1.00 0.00 C ATOM 1008 O GLY A 70 -5.016 -8.905 10.757 1.00 0.00 O ATOM 0 H GLY A 70 -4.818 -5.251 9.640 1.00 0.00 H new ATOM 0 HA2 GLY A 70 -4.948 -6.503 11.732 1.00 0.00 H new ATOM 0 HA3 GLY A 70 -6.666 -6.710 11.453 1.00 0.00 H new ATOM 1012 N GLN A 71 -5.642 -7.852 8.869 1.00 0.00 N ATOM 1013 CA GLN A 71 -5.414 -9.012 8.016 1.00 0.00 C ATOM 1014 C GLN A 71 -4.211 -9.816 8.500 1.00 0.00 C ATOM 1015 O GLN A 71 -3.165 -9.253 8.824 1.00 0.00 O ATOM 1016 CB GLN A 71 -5.198 -8.572 6.567 1.00 0.00 C ATOM 1017 CG GLN A 71 -6.481 -8.495 5.757 1.00 0.00 C ATOM 1018 CD GLN A 71 -7.037 -9.863 5.412 1.00 0.00 C ATOM 1019 OE1 GLN A 71 -7.845 -10.417 6.309 1.00 0.00 O flip ATOM 1020 NE2 GLN A 71 -6.744 -10.416 4.352 1.00 0.00 N flip ATOM 0 H GLN A 71 -5.978 -7.025 8.376 1.00 0.00 H new ATOM 0 HA GLN A 71 -6.298 -9.648 8.067 1.00 0.00 H new ATOM 0 HB2 GLN A 71 -4.715 -7.595 6.561 1.00 0.00 H new ATOM 0 HB3 GLN A 71 -4.514 -9.269 6.083 1.00 0.00 H new ATOM 0 HG2 GLN A 71 -7.228 -7.935 6.319 1.00 0.00 H new ATOM 0 HG3 GLN A 71 -6.293 -7.941 4.837 1.00 0.00 H new ATOM 0 HE21 GLN A 71 -6.119 -9.954 3.691 1.00 0.00 H new ATOM 0 HE22 GLN A 71 -7.126 -11.336 4.134 1.00 0.00 H new ATOM 1029 N TYR A 72 -4.367 -11.134 8.548 1.00 0.00 N ATOM 1030 CA TYR A 72 -3.295 -12.015 8.996 1.00 0.00 C ATOM 1031 C TYR A 72 -2.271 -12.235 7.886 1.00 0.00 C ATOM 1032 O TYR A 72 -2.518 -12.979 6.936 1.00 0.00 O ATOM 1033 CB TYR A 72 -3.867 -13.359 9.451 1.00 0.00 C ATOM 1034 CG TYR A 72 -3.081 -14.004 10.569 1.00 0.00 C ATOM 1035 CD1 TYR A 72 -3.169 -13.528 11.872 1.00 0.00 C ATOM 1036 CD2 TYR A 72 -2.249 -15.089 10.324 1.00 0.00 C ATOM 1037 CE1 TYR A 72 -2.452 -14.114 12.897 1.00 0.00 C ATOM 1038 CE2 TYR A 72 -1.529 -15.682 11.343 1.00 0.00 C ATOM 1039 CZ TYR A 72 -1.634 -15.191 12.628 1.00 0.00 C ATOM 1040 OH TYR A 72 -0.918 -15.778 13.646 1.00 0.00 O ATOM 0 H TYR A 72 -5.226 -11.616 8.282 1.00 0.00 H new ATOM 0 HA TYR A 72 -2.795 -11.537 9.838 1.00 0.00 H new ATOM 0 HB2 TYR A 72 -4.896 -13.214 9.779 1.00 0.00 H new ATOM 0 HB3 TYR A 72 -3.896 -14.039 8.600 1.00 0.00 H new ATOM 0 HD1 TYR A 72 -3.809 -12.685 12.087 1.00 0.00 H new ATOM 0 HD2 TYR A 72 -2.164 -15.476 9.319 1.00 0.00 H new ATOM 0 HE1 TYR A 72 -2.532 -13.731 13.904 1.00 0.00 H new ATOM 0 HE2 TYR A 72 -0.887 -16.525 11.135 1.00 0.00 H new ATOM 0 HH TYR A 72 -0.393 -16.524 13.288 1.00 0.00 H new ATOM 1050 N LEU A 73 -1.121 -11.583 8.014 1.00 0.00 N ATOM 1051 CA LEU A 73 -0.058 -11.706 7.023 1.00 0.00 C ATOM 1052 C LEU A 73 0.948 -12.777 7.435 1.00 0.00 C ATOM 1053 O LEU A 73 0.855 -13.344 8.524 1.00 0.00 O ATOM 1054 CB LEU A 73 0.655 -10.365 6.841 1.00 0.00 C ATOM 1055 CG LEU A 73 1.438 -10.192 5.540 1.00 0.00 C ATOM 1056 CD1 LEU A 73 0.635 -10.717 4.360 1.00 0.00 C ATOM 1057 CD2 LEU A 73 1.807 -8.731 5.329 1.00 0.00 C ATOM 0 H LEU A 73 -0.901 -10.964 8.794 1.00 0.00 H new ATOM 0 HA LEU A 73 -0.510 -12.002 6.076 1.00 0.00 H new ATOM 0 HB2 LEU A 73 -0.088 -9.570 6.903 1.00 0.00 H new ATOM 0 HB3 LEU A 73 1.342 -10.225 7.676 1.00 0.00 H new ATOM 0 HG LEU A 73 2.359 -10.771 5.613 1.00 0.00 H new ATOM 0 HD11 LEU A 73 1.208 -10.585 3.442 1.00 0.00 H new ATOM 0 HD12 LEU A 73 0.423 -11.776 4.507 1.00 0.00 H new ATOM 0 HD13 LEU A 73 -0.303 -10.166 4.284 1.00 0.00 H new ATOM 0 HD21 LEU A 73 2.364 -8.627 4.398 1.00 0.00 H new ATOM 0 HD22 LEU A 73 0.899 -8.130 5.278 1.00 0.00 H new ATOM 0 HD23 LEU A 73 2.423 -8.388 6.160 1.00 0.00 H new ATOM 1069 N CYS A 74 1.908 -13.047 6.558 1.00 0.00 N ATOM 1070 CA CYS A 74 2.933 -14.049 6.830 1.00 0.00 C ATOM 1071 C CYS A 74 3.181 -14.180 8.329 1.00 0.00 C ATOM 1072 O CYS A 74 4.012 -13.470 8.895 1.00 0.00 O ATOM 1073 CB CYS A 74 4.235 -13.685 6.115 1.00 0.00 C ATOM 1074 SG CYS A 74 4.194 -13.951 4.327 1.00 0.00 S ATOM 0 H CYS A 74 1.998 -12.586 5.652 1.00 0.00 H new ATOM 0 HA CYS A 74 2.577 -15.008 6.454 1.00 0.00 H new ATOM 0 HB2 CYS A 74 4.464 -12.637 6.311 1.00 0.00 H new ATOM 0 HB3 CYS A 74 5.048 -14.274 6.541 1.00 0.00 H new ATOM 0 HG CYS A 74 5.338 -13.613 3.812 1.00 0.00 H new ATOM 1080 N ASN A 75 2.453 -15.091 8.967 1.00 0.00 N ATOM 1081 CA ASN A 75 2.593 -15.312 10.402 1.00 0.00 C ATOM 1082 C ASN A 75 2.883 -14.003 11.129 1.00 0.00 C ATOM 1083 O ASN A 75 3.819 -13.917 11.925 1.00 0.00 O ATOM 1084 CB ASN A 75 3.711 -16.320 10.677 1.00 0.00 C ATOM 1085 CG ASN A 75 3.354 -17.719 10.213 1.00 0.00 C ATOM 1086 OD1 ASN A 75 2.215 -17.988 9.833 1.00 0.00 O ATOM 1087 ND2 ASN A 75 4.331 -18.619 10.243 1.00 0.00 N ATOM 0 H ASN A 75 1.761 -15.687 8.514 1.00 0.00 H new ATOM 0 HA ASN A 75 1.651 -15.713 10.776 1.00 0.00 H new ATOM 0 HB2 ASN A 75 4.622 -15.995 10.174 1.00 0.00 H new ATOM 0 HB3 ASN A 75 3.926 -16.338 11.745 1.00 0.00 H new ATOM 0 HD21 ASN A 75 4.151 -19.577 9.943 1.00 0.00 H new ATOM 0 HD22 ASN A 75 5.261 -18.352 10.566 1.00 0.00 H new ATOM 1094 N ARG A 76 2.074 -12.986 10.850 1.00 0.00 N ATOM 1095 CA ARG A 76 2.244 -11.681 11.477 1.00 0.00 C ATOM 1096 C ARG A 76 1.066 -10.766 11.156 1.00 0.00 C ATOM 1097 O ARG A 76 0.866 -10.348 10.015 1.00 0.00 O ATOM 1098 CB ARG A 76 3.549 -11.033 11.010 1.00 0.00 C ATOM 1099 CG ARG A 76 4.778 -11.538 11.748 1.00 0.00 C ATOM 1100 CD ARG A 76 5.834 -10.452 11.881 1.00 0.00 C ATOM 1101 NE ARG A 76 6.621 -10.601 13.102 1.00 0.00 N ATOM 1102 CZ ARG A 76 7.433 -11.626 13.333 1.00 0.00 C ATOM 1103 NH1 ARG A 76 7.564 -12.588 12.430 1.00 0.00 N ATOM 1104 NH2 ARG A 76 8.117 -11.691 14.468 1.00 0.00 N ATOM 0 H ARG A 76 1.295 -13.041 10.194 1.00 0.00 H new ATOM 0 HA ARG A 76 2.285 -11.827 12.556 1.00 0.00 H new ATOM 0 HB2 ARG A 76 3.675 -11.218 9.943 1.00 0.00 H new ATOM 0 HB3 ARG A 76 3.476 -9.953 11.140 1.00 0.00 H new ATOM 0 HG2 ARG A 76 4.490 -11.890 12.739 1.00 0.00 H new ATOM 0 HG3 ARG A 76 5.198 -12.392 11.216 1.00 0.00 H new ATOM 0 HD2 ARG A 76 6.497 -10.483 11.016 1.00 0.00 H new ATOM 0 HD3 ARG A 76 5.351 -9.475 11.878 1.00 0.00 H new ATOM 0 HE ARG A 76 6.543 -9.878 13.817 1.00 0.00 H new ATOM 0 HH11 ARG A 76 7.041 -12.542 11.556 1.00 0.00 H new ATOM 0 HH12 ARG A 76 8.188 -13.374 12.610 1.00 0.00 H new ATOM 0 HH21 ARG A 76 8.020 -10.953 15.165 1.00 0.00 H new ATOM 0 HH22 ARG A 76 8.740 -12.479 14.643 1.00 0.00 H new ATOM 1118 N PRO A 77 0.267 -10.446 12.185 1.00 0.00 N ATOM 1119 CA PRO A 77 -0.905 -9.578 12.037 1.00 0.00 C ATOM 1120 C PRO A 77 -0.520 -8.129 11.759 1.00 0.00 C ATOM 1121 O PRO A 77 0.004 -7.437 12.632 1.00 0.00 O ATOM 1122 CB PRO A 77 -1.605 -9.694 13.393 1.00 0.00 C ATOM 1123 CG PRO A 77 -0.523 -10.061 14.349 1.00 0.00 C ATOM 1124 CD PRO A 77 0.446 -10.908 13.572 1.00 0.00 C ATOM 0 HA PRO A 77 -1.528 -9.874 11.193 1.00 0.00 H new ATOM 0 HB2 PRO A 77 -2.080 -8.754 13.675 1.00 0.00 H new ATOM 0 HB3 PRO A 77 -2.387 -10.453 13.371 1.00 0.00 H new ATOM 0 HG2 PRO A 77 -0.033 -9.171 14.745 1.00 0.00 H new ATOM 0 HG3 PRO A 77 -0.925 -10.609 15.201 1.00 0.00 H new ATOM 0 HD2 PRO A 77 1.471 -10.763 13.915 1.00 0.00 H new ATOM 0 HD3 PRO A 77 0.223 -11.970 13.674 1.00 0.00 H new ATOM 1132 N ILE A 78 -0.785 -7.675 10.538 1.00 0.00 N ATOM 1133 CA ILE A 78 -0.468 -6.308 10.146 1.00 0.00 C ATOM 1134 C ILE A 78 -1.573 -5.345 10.569 1.00 0.00 C ATOM 1135 O ILE A 78 -2.696 -5.759 10.859 1.00 0.00 O ATOM 1136 CB ILE A 78 -0.257 -6.193 8.625 1.00 0.00 C ATOM 1137 CG1 ILE A 78 -1.561 -6.491 7.883 1.00 0.00 C ATOM 1138 CG2 ILE A 78 0.846 -7.138 8.171 1.00 0.00 C ATOM 1139 CD1 ILE A 78 -1.519 -6.124 6.416 1.00 0.00 C ATOM 0 H ILE A 78 -1.219 -8.235 9.804 1.00 0.00 H new ATOM 0 HA ILE A 78 0.458 -6.041 10.654 1.00 0.00 H new ATOM 0 HB ILE A 78 0.046 -5.173 8.391 1.00 0.00 H new ATOM 0 HG12 ILE A 78 -1.789 -7.553 7.977 1.00 0.00 H new ATOM 0 HG13 ILE A 78 -2.375 -5.947 8.362 1.00 0.00 H new ATOM 0 HG21 ILE A 78 0.984 -7.046 7.094 1.00 0.00 H new ATOM 0 HG22 ILE A 78 1.776 -6.883 8.679 1.00 0.00 H new ATOM 0 HG23 ILE A 78 0.569 -8.164 8.415 1.00 0.00 H new ATOM 0 HD11 ILE A 78 -2.477 -6.363 5.954 1.00 0.00 H new ATOM 0 HD12 ILE A 78 -1.323 -5.057 6.313 1.00 0.00 H new ATOM 0 HD13 ILE A 78 -0.727 -6.688 5.922 1.00 0.00 H new ATOM 1151 N THR A 79 -1.247 -4.056 10.600 1.00 0.00 N ATOM 1152 CA THR A 79 -2.211 -3.033 10.986 1.00 0.00 C ATOM 1153 C THR A 79 -2.163 -1.845 10.033 1.00 0.00 C ATOM 1154 O THR A 79 -1.163 -1.130 9.966 1.00 0.00 O ATOM 1155 CB THR A 79 -1.958 -2.536 12.422 1.00 0.00 C ATOM 1156 OG1 THR A 79 -0.568 -2.240 12.599 1.00 0.00 O ATOM 1157 CG2 THR A 79 -2.394 -3.579 13.440 1.00 0.00 C ATOM 0 H THR A 79 -0.323 -3.696 10.362 1.00 0.00 H new ATOM 0 HA THR A 79 -3.198 -3.494 10.938 1.00 0.00 H new ATOM 0 HB THR A 79 -2.545 -1.631 12.579 1.00 0.00 H new ATOM 0 HG1 THR A 79 -0.208 -1.854 11.773 1.00 0.00 H new ATOM 0 HG21 THR A 79 -2.206 -3.206 14.447 1.00 0.00 H new ATOM 0 HG22 THR A 79 -3.459 -3.781 13.321 1.00 0.00 H new ATOM 0 HG23 THR A 79 -1.831 -4.499 13.283 1.00 0.00 H new ATOM 1165 N VAL A 80 -3.250 -1.638 9.296 1.00 0.00 N ATOM 1166 CA VAL A 80 -3.332 -0.534 8.347 1.00 0.00 C ATOM 1167 C VAL A 80 -4.043 0.666 8.962 1.00 0.00 C ATOM 1168 O VAL A 80 -5.044 0.517 9.663 1.00 0.00 O ATOM 1169 CB VAL A 80 -4.072 -0.953 7.063 1.00 0.00 C ATOM 1170 CG1 VAL A 80 -4.247 0.240 6.135 1.00 0.00 C ATOM 1171 CG2 VAL A 80 -3.326 -2.078 6.362 1.00 0.00 C ATOM 0 H VAL A 80 -4.086 -2.221 9.338 1.00 0.00 H new ATOM 0 HA VAL A 80 -2.309 -0.256 8.094 1.00 0.00 H new ATOM 0 HB VAL A 80 -5.062 -1.319 7.337 1.00 0.00 H new ATOM 0 HG11 VAL A 80 -4.772 -0.075 5.233 1.00 0.00 H new ATOM 0 HG12 VAL A 80 -4.826 1.013 6.641 1.00 0.00 H new ATOM 0 HG13 VAL A 80 -3.269 0.638 5.865 1.00 0.00 H new ATOM 0 HG21 VAL A 80 -3.863 -2.362 5.457 1.00 0.00 H new ATOM 0 HG22 VAL A 80 -2.323 -1.741 6.099 1.00 0.00 H new ATOM 0 HG23 VAL A 80 -3.257 -2.939 7.027 1.00 0.00 H new ATOM 1181 N SER A 81 -3.519 1.858 8.693 1.00 0.00 N ATOM 1182 CA SER A 81 -4.102 3.086 9.222 1.00 0.00 C ATOM 1183 C SER A 81 -3.540 4.308 8.501 1.00 0.00 C ATOM 1184 O SER A 81 -2.339 4.395 8.248 1.00 0.00 O ATOM 1185 CB SER A 81 -3.832 3.197 10.724 1.00 0.00 C ATOM 1186 OG SER A 81 -2.445 3.315 10.986 1.00 0.00 O ATOM 0 H SER A 81 -2.692 1.999 8.112 1.00 0.00 H new ATOM 0 HA SER A 81 -5.179 3.050 9.055 1.00 0.00 H new ATOM 0 HB2 SER A 81 -4.356 4.063 11.128 1.00 0.00 H new ATOM 0 HB3 SER A 81 -4.228 2.319 11.234 1.00 0.00 H new ATOM 0 HG SER A 81 -2.300 3.386 11.953 1.00 0.00 H new ATOM 1192 N TYR A 82 -4.419 5.249 8.174 1.00 0.00 N ATOM 1193 CA TYR A 82 -4.013 6.465 7.480 1.00 0.00 C ATOM 1194 C TYR A 82 -2.831 7.125 8.184 1.00 0.00 C ATOM 1195 O TYR A 82 -2.864 7.356 9.392 1.00 0.00 O ATOM 1196 CB TYR A 82 -5.185 7.446 7.398 1.00 0.00 C ATOM 1197 CG TYR A 82 -6.051 7.253 6.174 1.00 0.00 C ATOM 1198 CD1 TYR A 82 -5.492 7.203 4.904 1.00 0.00 C ATOM 1199 CD2 TYR A 82 -7.430 7.119 6.289 1.00 0.00 C ATOM 1200 CE1 TYR A 82 -6.280 7.028 3.783 1.00 0.00 C ATOM 1201 CE2 TYR A 82 -8.225 6.942 5.174 1.00 0.00 C ATOM 1202 CZ TYR A 82 -7.646 6.898 3.923 1.00 0.00 C ATOM 1203 OH TYR A 82 -8.434 6.722 2.809 1.00 0.00 O ATOM 0 H TYR A 82 -5.417 5.193 8.378 1.00 0.00 H new ATOM 0 HA TYR A 82 -3.705 6.192 6.471 1.00 0.00 H new ATOM 0 HB2 TYR A 82 -5.802 7.337 8.290 1.00 0.00 H new ATOM 0 HB3 TYR A 82 -4.796 8.464 7.401 1.00 0.00 H new ATOM 0 HD1 TYR A 82 -4.423 7.303 4.791 1.00 0.00 H new ATOM 0 HD2 TYR A 82 -7.887 7.154 7.267 1.00 0.00 H new ATOM 0 HE1 TYR A 82 -5.829 6.993 2.802 1.00 0.00 H new ATOM 0 HE2 TYR A 82 -9.295 6.839 5.281 1.00 0.00 H new ATOM 0 HH TYR A 82 -7.977 6.131 2.175 1.00 0.00 H new ATOM 1213 N ALA A 83 -1.788 7.427 7.418 1.00 0.00 N ATOM 1214 CA ALA A 83 -0.596 8.063 7.965 1.00 0.00 C ATOM 1215 C ALA A 83 -0.911 9.461 8.487 1.00 0.00 C ATOM 1216 O ALA A 83 -0.313 9.919 9.461 1.00 0.00 O ATOM 1217 CB ALA A 83 0.500 8.125 6.912 1.00 0.00 C ATOM 0 H ALA A 83 -1.744 7.241 6.416 1.00 0.00 H new ATOM 0 HA ALA A 83 -0.245 7.461 8.803 1.00 0.00 H new ATOM 0 HB1 ALA A 83 1.384 8.602 7.335 1.00 0.00 H new ATOM 0 HB2 ALA A 83 0.752 7.115 6.590 1.00 0.00 H new ATOM 0 HB3 ALA A 83 0.150 8.702 6.056 1.00 0.00 H new