USER MOD reduce.3.24.130724 H: found=0, std=0, add=559, rem=0, adj=15 USER MOD reduce.3.24.130724 removed 559 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 MET CE :methyl 171:sc= -3.02 (180deg=-1.29) USER MOD Set 1.2: A 87 MET CE :methyl -174:sc= -2.81 (180deg=-0.931) USER MOD Single : A 36 LYS NZ :NH3+ -154:sc= -0.132 (180deg=-0.569) USER MOD Single : A 38 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 41 TYR OH : rot 180:sc= 0 USER MOD Single : A 43 ASN : amide:sc= -2.77! C(o=-2.8!,f=-3.7!) USER MOD Single : A 44 CYS SG : rot 180:sc= 0 USER MOD Single : A 49 ASN : amide:sc= -0.797 K(o=-0.8,f=-2.7!) USER MOD Single : A 50 CYS SG : rot 77:sc= -3.6! USER MOD Single : A 51 MET CE :methyl -176:sc= 0 (180deg=-0.00666) USER MOD Single : A 53 THR OG1 : rot 180:sc= 0 USER MOD Single : A 56 TYR OH : rot 180:sc= 0 USER MOD Single : A 57 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 59 THR OG1 : rot -61:sc= -0.194 USER MOD Single : A 61 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 67 SER OG : rot -57:sc= 0.0725 USER MOD Single : A 68 GLN :FLIP amide:sc= 0 F(o=-0.82,f=0) USER MOD Single : A 69 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 71 ASN :FLIP amide:sc= -2.92! C(o=-7.2!,f=-2.9!) USER MOD Single : A 72 MET CE :methyl -178:sc= 0 (180deg=-0.00432) USER MOD Single : A 73 ASN : amide:sc= -0.178 X(o=-0.18,f=-0.19) USER MOD Single : A 77 HIS : no HD1:sc= -1.21 K(o=-1.2,f=-3.1!) USER MOD Single : A 90 LYS NZ :NH3+ 165:sc= -0.853 (180deg=-1.26) USER MOD ----------------------------------------------------------------- ATOM 67 N ARG A 20 -11.328 -5.522 -15.265 1.00 0.00 N ATOM 68 CA ARG A 20 -11.396 -4.989 -13.884 1.00 0.00 C ATOM 69 C ARG A 20 -10.900 -3.536 -13.840 1.00 0.00 C ATOM 70 O ARG A 20 -9.812 -3.248 -13.380 1.00 0.00 O ATOM 71 CB ARG A 20 -10.503 -5.868 -12.980 1.00 0.00 C ATOM 72 CG ARG A 20 -9.448 -6.573 -13.840 1.00 0.00 C ATOM 73 CD ARG A 20 -8.551 -5.525 -14.501 1.00 0.00 C ATOM 74 NE ARG A 20 -7.440 -6.221 -15.209 1.00 0.00 N ATOM 75 CZ ARG A 20 -6.835 -5.622 -16.198 1.00 0.00 C ATOM 76 NH1 ARG A 20 -7.522 -5.317 -17.265 1.00 0.00 N ATOM 77 NH2 ARG A 20 -5.564 -5.348 -16.087 1.00 0.00 N ATOM 0 HA ARG A 20 -12.429 -5.008 -13.537 1.00 0.00 H new ATOM 0 HB2 ARG A 20 -10.019 -5.254 -12.221 1.00 0.00 H new ATOM 0 HB3 ARG A 20 -11.111 -6.604 -12.454 1.00 0.00 H new ATOM 0 HG2 ARG A 20 -8.849 -7.244 -13.224 1.00 0.00 H new ATOM 0 HG3 ARG A 20 -9.932 -7.185 -14.601 1.00 0.00 H new ATOM 0 HD2 ARG A 20 -9.128 -4.924 -15.204 1.00 0.00 H new ATOM 0 HD3 ARG A 20 -8.151 -4.843 -13.751 1.00 0.00 H new ATOM 0 HE ARG A 20 -7.155 -7.158 -14.923 1.00 0.00 H new ATOM 0 HH11 ARG A 20 -8.514 -5.547 -17.316 1.00 0.00 H new ATOM 0 HH12 ARG A 20 -7.066 -4.849 -18.048 1.00 0.00 H new ATOM 0 HH21 ARG A 20 -5.060 -5.602 -15.237 1.00 0.00 H new ATOM 0 HH22 ARG A 20 -5.075 -4.880 -16.850 1.00 0.00 H new ATOM 91 N PRO A 21 -11.726 -2.647 -14.345 1.00 0.00 N ATOM 92 CA PRO A 21 -11.403 -1.220 -14.380 1.00 0.00 C ATOM 93 C PRO A 21 -11.356 -0.619 -12.974 1.00 0.00 C ATOM 94 O PRO A 21 -11.186 0.573 -12.812 1.00 0.00 O ATOM 95 CB PRO A 21 -12.558 -0.575 -15.179 1.00 0.00 C ATOM 96 CG PRO A 21 -13.571 -1.710 -15.529 1.00 0.00 C ATOM 97 CD PRO A 21 -13.019 -3.015 -14.931 1.00 0.00 C ATOM 0 HA PRO A 21 -10.423 -1.048 -14.825 1.00 0.00 H new ATOM 0 HB2 PRO A 21 -13.043 0.205 -14.592 1.00 0.00 H new ATOM 0 HB3 PRO A 21 -12.181 -0.103 -16.086 1.00 0.00 H new ATOM 0 HG2 PRO A 21 -14.556 -1.486 -15.119 1.00 0.00 H new ATOM 0 HG3 PRO A 21 -13.688 -1.801 -16.609 1.00 0.00 H new ATOM 0 HD2 PRO A 21 -13.693 -3.420 -14.176 1.00 0.00 H new ATOM 0 HD3 PRO A 21 -12.901 -3.781 -15.697 1.00 0.00 H new ATOM 105 N GLU A 22 -11.507 -1.458 -11.987 1.00 0.00 N ATOM 106 CA GLU A 22 -11.474 -0.957 -10.593 1.00 0.00 C ATOM 107 C GLU A 22 -10.045 -0.918 -10.075 1.00 0.00 C ATOM 108 O GLU A 22 -9.654 0.006 -9.387 1.00 0.00 O ATOM 109 CB GLU A 22 -12.290 -1.918 -9.715 1.00 0.00 C ATOM 110 CG GLU A 22 -13.743 -1.921 -10.193 1.00 0.00 C ATOM 111 CD GLU A 22 -14.432 -0.639 -9.725 1.00 0.00 C ATOM 112 OE1 GLU A 22 -13.965 -0.107 -8.733 1.00 0.00 O ATOM 113 OE2 GLU A 22 -15.387 -0.266 -10.386 1.00 0.00 O ATOM 0 H GLU A 22 -11.651 -2.463 -12.088 1.00 0.00 H new ATOM 0 HA GLU A 22 -11.889 0.050 -10.562 1.00 0.00 H new ATOM 0 HB2 GLU A 22 -11.874 -2.924 -9.771 1.00 0.00 H new ATOM 0 HB3 GLU A 22 -12.238 -1.609 -8.671 1.00 0.00 H new ATOM 0 HG2 GLU A 22 -13.780 -1.991 -11.280 1.00 0.00 H new ATOM 0 HG3 GLU A 22 -14.266 -2.793 -9.799 1.00 0.00 H new ATOM 120 N GLU A 23 -9.288 -1.924 -10.416 1.00 0.00 N ATOM 121 CA GLU A 23 -7.882 -1.964 -9.955 1.00 0.00 C ATOM 122 C GLU A 23 -7.114 -0.773 -10.500 1.00 0.00 C ATOM 123 O GLU A 23 -6.195 -0.283 -9.874 1.00 0.00 O ATOM 124 CB GLU A 23 -7.237 -3.254 -10.485 1.00 0.00 C ATOM 125 CG GLU A 23 -8.078 -4.451 -10.041 1.00 0.00 C ATOM 126 CD GLU A 23 -7.690 -4.839 -8.613 1.00 0.00 C ATOM 127 OE1 GLU A 23 -7.204 -3.954 -7.925 1.00 0.00 O ATOM 128 OE2 GLU A 23 -7.903 -5.995 -8.289 1.00 0.00 O ATOM 0 H GLU A 23 -9.584 -2.713 -10.990 1.00 0.00 H new ATOM 0 HA GLU A 23 -7.856 -1.934 -8.866 1.00 0.00 H new ATOM 0 HB2 GLU A 23 -7.172 -3.223 -11.573 1.00 0.00 H new ATOM 0 HB3 GLU A 23 -6.219 -3.348 -10.107 1.00 0.00 H new ATOM 0 HG2 GLU A 23 -9.138 -4.202 -10.087 1.00 0.00 H new ATOM 0 HG3 GLU A 23 -7.918 -5.293 -10.715 1.00 0.00 H new ATOM 135 N ILE A 24 -7.509 -0.322 -11.659 1.00 0.00 N ATOM 136 CA ILE A 24 -6.815 0.837 -12.262 1.00 0.00 C ATOM 137 C ILE A 24 -6.907 2.045 -11.349 1.00 0.00 C ATOM 138 O ILE A 24 -5.962 2.799 -11.218 1.00 0.00 O ATOM 139 CB ILE A 24 -7.490 1.171 -13.595 1.00 0.00 C ATOM 140 CG1 ILE A 24 -7.695 -0.102 -14.415 1.00 0.00 C ATOM 141 CG2 ILE A 24 -6.574 2.122 -14.383 1.00 0.00 C ATOM 142 CD1 ILE A 24 -6.351 -0.572 -14.982 1.00 0.00 C ATOM 0 H ILE A 24 -8.278 -0.707 -12.207 1.00 0.00 H new ATOM 0 HA ILE A 24 -5.765 0.587 -12.412 1.00 0.00 H new ATOM 0 HB ILE A 24 -8.458 1.635 -13.404 1.00 0.00 H new ATOM 0 HG12 ILE A 24 -8.130 -0.882 -13.791 1.00 0.00 H new ATOM 0 HG13 ILE A 24 -8.398 0.086 -15.227 1.00 0.00 H new ATOM 0 HG21 ILE A 24 -7.041 2.370 -15.336 1.00 0.00 H new ATOM 0 HG22 ILE A 24 -6.416 3.034 -13.808 1.00 0.00 H new ATOM 0 HG23 ILE A 24 -5.615 1.637 -14.564 1.00 0.00 H new ATOM 0 HD11 ILE A 24 -6.500 -1.480 -15.566 1.00 0.00 H new ATOM 0 HD12 ILE A 24 -5.934 0.206 -15.621 1.00 0.00 H new ATOM 0 HD13 ILE A 24 -5.662 -0.777 -14.163 1.00 0.00 H new ATOM 154 N GLU A 25 -8.043 2.215 -10.730 1.00 0.00 N ATOM 155 CA GLU A 25 -8.200 3.374 -9.820 1.00 0.00 C ATOM 156 C GLU A 25 -7.357 3.175 -8.574 1.00 0.00 C ATOM 157 O GLU A 25 -6.662 4.073 -8.141 1.00 0.00 O ATOM 158 CB GLU A 25 -9.678 3.490 -9.412 1.00 0.00 C ATOM 159 CG GLU A 25 -10.062 4.970 -9.329 1.00 0.00 C ATOM 160 CD GLU A 25 -11.569 5.091 -9.083 1.00 0.00 C ATOM 161 OE1 GLU A 25 -12.281 5.068 -10.073 1.00 0.00 O ATOM 162 OE2 GLU A 25 -11.920 5.202 -7.920 1.00 0.00 O ATOM 0 H GLU A 25 -8.858 1.607 -10.816 1.00 0.00 H new ATOM 0 HA GLU A 25 -7.876 4.280 -10.331 1.00 0.00 H new ATOM 0 HB2 GLU A 25 -10.309 2.978 -10.138 1.00 0.00 H new ATOM 0 HB3 GLU A 25 -9.841 3.005 -8.450 1.00 0.00 H new ATOM 0 HG2 GLU A 25 -9.511 5.456 -8.524 1.00 0.00 H new ATOM 0 HG3 GLU A 25 -9.791 5.480 -10.254 1.00 0.00 H new ATOM 169 N GLU A 26 -7.433 1.997 -8.015 1.00 0.00 N ATOM 170 CA GLU A 26 -6.640 1.725 -6.798 1.00 0.00 C ATOM 171 C GLU A 26 -5.155 1.823 -7.108 1.00 0.00 C ATOM 172 O GLU A 26 -4.389 2.347 -6.324 1.00 0.00 O ATOM 173 CB GLU A 26 -6.959 0.302 -6.315 1.00 0.00 C ATOM 174 CG GLU A 26 -6.530 0.160 -4.853 1.00 0.00 C ATOM 175 CD GLU A 26 -6.810 -1.267 -4.379 1.00 0.00 C ATOM 176 OE1 GLU A 26 -6.206 -2.156 -4.955 1.00 0.00 O ATOM 177 OE2 GLU A 26 -7.611 -1.387 -3.467 1.00 0.00 O ATOM 0 H GLU A 26 -8.006 1.223 -8.350 1.00 0.00 H new ATOM 0 HA GLU A 26 -6.891 2.456 -6.029 1.00 0.00 H new ATOM 0 HB2 GLU A 26 -8.026 0.102 -6.415 1.00 0.00 H new ATOM 0 HB3 GLU A 26 -6.438 -0.430 -6.932 1.00 0.00 H new ATOM 0 HG2 GLU A 26 -5.469 0.388 -4.750 1.00 0.00 H new ATOM 0 HG3 GLU A 26 -7.071 0.874 -4.232 1.00 0.00 H new ATOM 184 N LEU A 27 -4.771 1.316 -8.250 1.00 0.00 N ATOM 185 CA LEU A 27 -3.340 1.377 -8.621 1.00 0.00 C ATOM 186 C LEU A 27 -2.897 2.821 -8.731 1.00 0.00 C ATOM 187 O LEU A 27 -1.901 3.217 -8.159 1.00 0.00 O ATOM 188 CB LEU A 27 -3.161 0.705 -9.987 1.00 0.00 C ATOM 189 CG LEU A 27 -3.158 -0.810 -9.805 1.00 0.00 C ATOM 190 CD1 LEU A 27 -3.653 -1.465 -11.091 1.00 0.00 C ATOM 191 CD2 LEU A 27 -1.729 -1.279 -9.514 1.00 0.00 C ATOM 0 H LEU A 27 -5.384 0.868 -8.931 1.00 0.00 H new ATOM 0 HA LEU A 27 -2.745 0.872 -7.860 1.00 0.00 H new ATOM 0 HB2 LEU A 27 -3.966 1.001 -10.659 1.00 0.00 H new ATOM 0 HB3 LEU A 27 -2.227 1.030 -10.446 1.00 0.00 H new ATOM 0 HG LEU A 27 -3.809 -1.086 -8.976 1.00 0.00 H new ATOM 0 HD11 LEU A 27 -3.654 -2.548 -10.970 1.00 0.00 H new ATOM 0 HD12 LEU A 27 -4.665 -1.123 -11.307 1.00 0.00 H new ATOM 0 HD13 LEU A 27 -2.994 -1.193 -11.915 1.00 0.00 H new ATOM 0 HD21 LEU A 27 -1.721 -2.361 -9.383 1.00 0.00 H new ATOM 0 HD22 LEU A 27 -1.081 -1.009 -10.348 1.00 0.00 H new ATOM 0 HD23 LEU A 27 -1.367 -0.801 -8.604 1.00 0.00 H new ATOM 203 N ARG A 28 -3.651 3.588 -9.468 1.00 0.00 N ATOM 204 CA ARG A 28 -3.295 5.016 -9.633 1.00 0.00 C ATOM 205 C ARG A 28 -2.989 5.655 -8.286 1.00 0.00 C ATOM 206 O ARG A 28 -2.026 6.384 -8.149 1.00 0.00 O ATOM 207 CB ARG A 28 -4.493 5.742 -10.270 1.00 0.00 C ATOM 208 CG ARG A 28 -4.009 7.028 -10.939 1.00 0.00 C ATOM 209 CD ARG A 28 -5.201 7.729 -11.598 1.00 0.00 C ATOM 210 NE ARG A 28 -5.909 6.751 -12.474 1.00 0.00 N ATOM 211 CZ ARG A 28 -7.128 7.006 -12.872 1.00 0.00 C ATOM 212 NH1 ARG A 28 -8.060 7.186 -11.975 1.00 0.00 N ATOM 213 NH2 ARG A 28 -7.376 7.065 -14.152 1.00 0.00 N ATOM 0 H ARG A 28 -4.493 3.286 -9.959 1.00 0.00 H new ATOM 0 HA ARG A 28 -2.409 5.095 -10.264 1.00 0.00 H new ATOM 0 HB2 ARG A 28 -4.975 5.096 -11.004 1.00 0.00 H new ATOM 0 HB3 ARG A 28 -5.239 5.973 -9.509 1.00 0.00 H new ATOM 0 HG2 ARG A 28 -3.547 7.685 -10.202 1.00 0.00 H new ATOM 0 HG3 ARG A 28 -3.247 6.800 -11.685 1.00 0.00 H new ATOM 0 HD2 ARG A 28 -5.880 8.115 -10.837 1.00 0.00 H new ATOM 0 HD3 ARG A 28 -4.860 8.583 -12.184 1.00 0.00 H new ATOM 0 HE ARG A 28 -5.445 5.889 -12.761 1.00 0.00 H new ATOM 0 HH11 ARG A 28 -7.831 7.127 -10.983 1.00 0.00 H new ATOM 0 HH12 ARG A 28 -9.017 7.386 -12.267 1.00 0.00 H new ATOM 0 HH21 ARG A 28 -6.624 6.913 -14.825 1.00 0.00 H new ATOM 0 HH22 ARG A 28 -8.321 7.263 -14.480 1.00 0.00 H new ATOM 227 N GLU A 29 -3.808 5.373 -7.313 1.00 0.00 N ATOM 228 CA GLU A 29 -3.566 5.960 -5.978 1.00 0.00 C ATOM 229 C GLU A 29 -2.297 5.387 -5.368 1.00 0.00 C ATOM 230 O GLU A 29 -1.522 6.097 -4.758 1.00 0.00 O ATOM 231 CB GLU A 29 -4.756 5.617 -5.074 1.00 0.00 C ATOM 232 CG GLU A 29 -5.764 6.768 -5.118 1.00 0.00 C ATOM 233 CD GLU A 29 -5.956 7.217 -6.569 1.00 0.00 C ATOM 234 OE1 GLU A 29 -6.381 6.376 -7.344 1.00 0.00 O ATOM 235 OE2 GLU A 29 -5.665 8.375 -6.820 1.00 0.00 O ATOM 0 H GLU A 29 -4.625 4.767 -7.387 1.00 0.00 H new ATOM 0 HA GLU A 29 -3.452 7.040 -6.073 1.00 0.00 H new ATOM 0 HB2 GLU A 29 -5.227 4.692 -5.406 1.00 0.00 H new ATOM 0 HB3 GLU A 29 -4.417 5.453 -4.051 1.00 0.00 H new ATOM 0 HG2 GLU A 29 -6.716 6.449 -4.695 1.00 0.00 H new ATOM 0 HG3 GLU A 29 -5.409 7.601 -4.511 1.00 0.00 H new ATOM 242 N ALA A 30 -2.104 4.109 -5.543 1.00 0.00 N ATOM 243 CA ALA A 30 -0.890 3.474 -4.980 1.00 0.00 C ATOM 244 C ALA A 30 0.349 3.952 -5.719 1.00 0.00 C ATOM 245 O ALA A 30 1.343 4.302 -5.110 1.00 0.00 O ATOM 246 CB ALA A 30 -1.014 1.952 -5.145 1.00 0.00 C ATOM 0 H ALA A 30 -2.732 3.484 -6.049 1.00 0.00 H new ATOM 0 HA ALA A 30 -0.798 3.742 -3.927 1.00 0.00 H new ATOM 0 HB1 ALA A 30 -0.127 1.468 -4.735 1.00 0.00 H new ATOM 0 HB2 ALA A 30 -1.898 1.599 -4.614 1.00 0.00 H new ATOM 0 HB3 ALA A 30 -1.105 1.707 -6.203 1.00 0.00 H new ATOM 252 N PHE A 31 0.273 3.964 -7.023 1.00 0.00 N ATOM 253 CA PHE A 31 1.442 4.418 -7.807 1.00 0.00 C ATOM 254 C PHE A 31 1.788 5.834 -7.434 1.00 0.00 C ATOM 255 O PHE A 31 2.936 6.237 -7.464 1.00 0.00 O ATOM 256 CB PHE A 31 1.065 4.401 -9.297 1.00 0.00 C ATOM 257 CG PHE A 31 2.282 4.806 -10.124 1.00 0.00 C ATOM 258 CD1 PHE A 31 2.720 6.118 -10.148 1.00 0.00 C ATOM 259 CD2 PHE A 31 2.977 3.858 -10.839 1.00 0.00 C ATOM 260 CE1 PHE A 31 3.840 6.464 -10.874 1.00 0.00 C ATOM 261 CE2 PHE A 31 4.091 4.203 -11.564 1.00 0.00 C ATOM 262 CZ PHE A 31 4.523 5.502 -11.582 1.00 0.00 C ATOM 0 H PHE A 31 -0.541 3.681 -7.568 1.00 0.00 H new ATOM 0 HA PHE A 31 2.289 3.763 -7.606 1.00 0.00 H new ATOM 0 HB2 PHE A 31 0.726 3.407 -9.588 1.00 0.00 H new ATOM 0 HB3 PHE A 31 0.238 5.086 -9.484 1.00 0.00 H new ATOM 0 HD1 PHE A 31 2.182 6.875 -9.596 1.00 0.00 H new ATOM 0 HD2 PHE A 31 2.643 2.831 -10.830 1.00 0.00 H new ATOM 0 HE1 PHE A 31 4.181 7.489 -10.887 1.00 0.00 H new ATOM 0 HE2 PHE A 31 4.627 3.449 -12.121 1.00 0.00 H new ATOM 0 HZ PHE A 31 5.400 5.772 -12.152 1.00 0.00 H new ATOM 272 N ARG A 32 0.788 6.561 -7.072 1.00 0.00 N ATOM 273 CA ARG A 32 1.020 7.973 -6.686 1.00 0.00 C ATOM 274 C ARG A 32 1.326 8.088 -5.210 1.00 0.00 C ATOM 275 O ARG A 32 2.340 8.643 -4.833 1.00 0.00 O ATOM 276 CB ARG A 32 -0.243 8.777 -6.996 1.00 0.00 C ATOM 277 CG ARG A 32 -0.285 9.081 -8.497 1.00 0.00 C ATOM 278 CD ARG A 32 0.910 9.968 -8.864 1.00 0.00 C ATOM 279 NE ARG A 32 0.483 10.966 -9.885 1.00 0.00 N ATOM 280 CZ ARG A 32 0.300 10.584 -11.121 1.00 0.00 C ATOM 281 NH1 ARG A 32 -0.784 9.927 -11.426 1.00 0.00 N ATOM 282 NH2 ARG A 32 1.209 10.877 -12.013 1.00 0.00 N ATOM 0 H ARG A 32 -0.181 6.246 -7.024 1.00 0.00 H new ATOM 0 HA ARG A 32 1.873 8.356 -7.247 1.00 0.00 H new ATOM 0 HB2 ARG A 32 -1.129 8.215 -6.701 1.00 0.00 H new ATOM 0 HB3 ARG A 32 -0.249 9.705 -6.424 1.00 0.00 H new ATOM 0 HG2 ARG A 32 -0.254 8.154 -9.069 1.00 0.00 H new ATOM 0 HG3 ARG A 32 -1.218 9.583 -8.753 1.00 0.00 H new ATOM 0 HD2 ARG A 32 1.287 10.476 -7.977 1.00 0.00 H new ATOM 0 HD3 ARG A 32 1.725 9.358 -9.253 1.00 0.00 H new ATOM 0 HE ARG A 32 0.335 11.940 -9.621 1.00 0.00 H new ATOM 0 HH11 ARG A 32 -1.474 9.718 -10.704 1.00 0.00 H new ATOM 0 HH12 ARG A 32 -0.942 9.622 -12.386 1.00 0.00 H new ATOM 0 HH21 ARG A 32 2.044 11.395 -11.739 1.00 0.00 H new ATOM 0 HH22 ARG A 32 1.084 10.587 -12.983 1.00 0.00 H new ATOM 296 N GLU A 33 0.442 7.577 -4.389 1.00 0.00 N ATOM 297 CA GLU A 33 0.684 7.656 -2.932 1.00 0.00 C ATOM 298 C GLU A 33 2.132 7.323 -2.639 1.00 0.00 C ATOM 299 O GLU A 33 2.677 7.717 -1.627 1.00 0.00 O ATOM 300 CB GLU A 33 -0.216 6.633 -2.229 1.00 0.00 C ATOM 301 CG GLU A 33 -0.044 6.781 -0.718 1.00 0.00 C ATOM 302 CD GLU A 33 -0.353 8.224 -0.314 1.00 0.00 C ATOM 303 OE1 GLU A 33 -1.532 8.533 -0.267 1.00 0.00 O ATOM 304 OE2 GLU A 33 0.608 8.937 -0.078 1.00 0.00 O ATOM 0 H GLU A 33 -0.424 7.116 -4.668 1.00 0.00 H new ATOM 0 HA GLU A 33 0.464 8.662 -2.576 1.00 0.00 H new ATOM 0 HB2 GLU A 33 -1.258 6.793 -2.508 1.00 0.00 H new ATOM 0 HB3 GLU A 33 0.046 5.622 -2.541 1.00 0.00 H new ATOM 0 HG2 GLU A 33 -0.710 6.094 -0.195 1.00 0.00 H new ATOM 0 HG3 GLU A 33 0.974 6.520 -0.429 1.00 0.00 H new ATOM 311 N PHE A 34 2.727 6.594 -3.545 1.00 0.00 N ATOM 312 CA PHE A 34 4.139 6.208 -3.370 1.00 0.00 C ATOM 313 C PHE A 34 5.036 7.120 -4.195 1.00 0.00 C ATOM 314 O PHE A 34 6.173 7.355 -3.841 1.00 0.00 O ATOM 315 CB PHE A 34 4.314 4.767 -3.869 1.00 0.00 C ATOM 316 CG PHE A 34 3.975 3.790 -2.742 1.00 0.00 C ATOM 317 CD1 PHE A 34 2.945 4.064 -1.858 1.00 0.00 C ATOM 318 CD2 PHE A 34 4.693 2.618 -2.594 1.00 0.00 C ATOM 319 CE1 PHE A 34 2.641 3.177 -0.845 1.00 0.00 C ATOM 320 CE2 PHE A 34 4.386 1.734 -1.582 1.00 0.00 C ATOM 321 CZ PHE A 34 3.362 2.014 -0.709 1.00 0.00 C ATOM 0 H PHE A 34 2.286 6.252 -4.399 1.00 0.00 H new ATOM 0 HA PHE A 34 4.411 6.291 -2.318 1.00 0.00 H new ATOM 0 HB2 PHE A 34 3.666 4.587 -4.727 1.00 0.00 H new ATOM 0 HB3 PHE A 34 5.339 4.609 -4.205 1.00 0.00 H new ATOM 0 HD1 PHE A 34 2.377 4.976 -1.962 1.00 0.00 H new ATOM 0 HD2 PHE A 34 5.500 2.394 -3.276 1.00 0.00 H new ATOM 0 HE1 PHE A 34 1.836 3.397 -0.159 1.00 0.00 H new ATOM 0 HE2 PHE A 34 4.951 0.820 -1.475 1.00 0.00 H new ATOM 0 HZ PHE A 34 3.124 1.321 0.084 1.00 0.00 H new ATOM 331 N ASP A 35 4.495 7.622 -5.291 1.00 0.00 N ATOM 332 CA ASP A 35 5.296 8.526 -6.164 1.00 0.00 C ATOM 333 C ASP A 35 4.754 9.947 -6.116 1.00 0.00 C ATOM 334 O ASP A 35 4.619 10.597 -7.135 1.00 0.00 O ATOM 335 CB ASP A 35 5.197 8.012 -7.610 1.00 0.00 C ATOM 336 CG ASP A 35 6.387 8.541 -8.415 1.00 0.00 C ATOM 337 OD1 ASP A 35 7.451 8.617 -7.820 1.00 0.00 O ATOM 338 OD2 ASP A 35 6.166 8.840 -9.576 1.00 0.00 O ATOM 0 H ASP A 35 3.542 7.441 -5.608 1.00 0.00 H new ATOM 0 HA ASP A 35 6.329 8.534 -5.816 1.00 0.00 H new ATOM 0 HB2 ASP A 35 5.191 6.922 -7.622 1.00 0.00 H new ATOM 0 HB3 ASP A 35 4.261 8.341 -8.062 1.00 0.00 H new ATOM 343 N LYS A 36 4.455 10.407 -4.933 1.00 0.00 N ATOM 344 CA LYS A 36 3.921 11.785 -4.806 1.00 0.00 C ATOM 345 C LYS A 36 4.972 12.808 -5.219 1.00 0.00 C ATOM 346 O LYS A 36 4.652 13.935 -5.542 1.00 0.00 O ATOM 347 CB LYS A 36 3.530 12.021 -3.334 1.00 0.00 C ATOM 348 CG LYS A 36 4.782 12.391 -2.521 1.00 0.00 C ATOM 349 CD LYS A 36 4.889 13.919 -2.399 1.00 0.00 C ATOM 350 CE LYS A 36 5.792 14.263 -1.212 1.00 0.00 C ATOM 351 NZ LYS A 36 5.124 13.909 0.073 1.00 0.00 N ATOM 0 H LYS A 36 4.557 9.892 -4.059 1.00 0.00 H new ATOM 0 HA LYS A 36 3.054 11.899 -5.457 1.00 0.00 H new ATOM 0 HB2 LYS A 36 2.791 12.820 -3.267 1.00 0.00 H new ATOM 0 HB3 LYS A 36 3.068 11.124 -2.922 1.00 0.00 H new ATOM 0 HG2 LYS A 36 4.730 11.940 -1.530 1.00 0.00 H new ATOM 0 HG3 LYS A 36 5.673 11.992 -3.006 1.00 0.00 H new ATOM 0 HD2 LYS A 36 5.297 14.342 -3.317 1.00 0.00 H new ATOM 0 HD3 LYS A 36 3.900 14.355 -2.258 1.00 0.00 H new ATOM 0 HE2 LYS A 36 6.736 13.725 -1.298 1.00 0.00 H new ATOM 0 HE3 LYS A 36 6.029 15.327 -1.224 1.00 0.00 H new ATOM 0 HZ1 LYS A 36 5.498 14.509 0.836 1.00 0.00 H new ATOM 0 HZ2 LYS A 36 4.099 14.060 -0.015 1.00 0.00 H new ATOM 0 HZ3 LYS A 36 5.309 12.910 0.297 1.00 0.00 H new ATOM 365 N ASP A 37 6.211 12.394 -5.204 1.00 0.00 N ATOM 366 CA ASP A 37 7.297 13.326 -5.593 1.00 0.00 C ATOM 367 C ASP A 37 7.002 13.954 -6.948 1.00 0.00 C ATOM 368 O ASP A 37 7.643 14.905 -7.347 1.00 0.00 O ATOM 369 CB ASP A 37 8.608 12.530 -5.689 1.00 0.00 C ATOM 370 CG ASP A 37 8.422 11.362 -6.660 1.00 0.00 C ATOM 371 OD1 ASP A 37 7.853 11.616 -7.710 1.00 0.00 O ATOM 372 OD2 ASP A 37 8.860 10.282 -6.299 1.00 0.00 O ATOM 0 H ASP A 37 6.512 11.456 -4.940 1.00 0.00 H new ATOM 0 HA ASP A 37 7.376 14.118 -4.848 1.00 0.00 H new ATOM 0 HB2 ASP A 37 9.415 13.177 -6.031 1.00 0.00 H new ATOM 0 HB3 ASP A 37 8.893 12.158 -4.705 1.00 0.00 H new ATOM 377 N LYS A 38 6.033 13.405 -7.633 1.00 0.00 N ATOM 378 CA LYS A 38 5.668 13.947 -8.970 1.00 0.00 C ATOM 379 C LYS A 38 6.737 13.620 -10.019 1.00 0.00 C ATOM 380 O LYS A 38 7.200 14.493 -10.728 1.00 0.00 O ATOM 381 CB LYS A 38 5.521 15.480 -8.848 1.00 0.00 C ATOM 382 CG LYS A 38 4.449 15.961 -9.829 1.00 0.00 C ATOM 383 CD LYS A 38 4.430 17.490 -9.835 1.00 0.00 C ATOM 384 CE LYS A 38 3.321 17.978 -8.904 1.00 0.00 C ATOM 385 NZ LYS A 38 2.044 18.141 -9.656 1.00 0.00 N ATOM 0 H LYS A 38 5.481 12.606 -7.323 1.00 0.00 H new ATOM 0 HA LYS A 38 4.733 13.489 -9.293 1.00 0.00 H new ATOM 0 HB2 LYS A 38 5.247 15.751 -7.829 1.00 0.00 H new ATOM 0 HB3 LYS A 38 6.472 15.967 -9.062 1.00 0.00 H new ATOM 0 HG2 LYS A 38 4.658 15.583 -10.830 1.00 0.00 H new ATOM 0 HG3 LYS A 38 3.472 15.573 -9.539 1.00 0.00 H new ATOM 0 HD2 LYS A 38 5.394 17.880 -9.508 1.00 0.00 H new ATOM 0 HD3 LYS A 38 4.263 17.860 -10.846 1.00 0.00 H new ATOM 0 HE2 LYS A 38 3.182 17.267 -8.090 1.00 0.00 H new ATOM 0 HE3 LYS A 38 3.608 18.928 -8.453 1.00 0.00 H new ATOM 0 HZ1 LYS A 38 1.300 18.473 -9.009 1.00 0.00 H new ATOM 0 HZ2 LYS A 38 2.176 18.836 -10.418 1.00 0.00 H new ATOM 0 HZ3 LYS A 38 1.764 17.227 -10.066 1.00 0.00 H new ATOM 399 N ASP A 39 7.099 12.357 -10.102 1.00 0.00 N ATOM 400 CA ASP A 39 8.132 11.944 -11.092 1.00 0.00 C ATOM 401 C ASP A 39 7.506 11.099 -12.193 1.00 0.00 C ATOM 402 O ASP A 39 8.001 11.054 -13.302 1.00 0.00 O ATOM 403 CB ASP A 39 9.188 11.097 -10.366 1.00 0.00 C ATOM 404 CG ASP A 39 10.290 10.705 -11.358 1.00 0.00 C ATOM 405 OD1 ASP A 39 10.426 11.429 -12.333 1.00 0.00 O ATOM 406 OD2 ASP A 39 10.929 9.702 -11.087 1.00 0.00 O ATOM 0 H ASP A 39 6.722 11.604 -9.527 1.00 0.00 H new ATOM 0 HA ASP A 39 8.580 12.833 -11.536 1.00 0.00 H new ATOM 0 HB2 ASP A 39 9.614 11.659 -9.535 1.00 0.00 H new ATOM 0 HB3 ASP A 39 8.728 10.204 -9.944 1.00 0.00 H new ATOM 411 N GLY A 40 6.425 10.444 -11.867 1.00 0.00 N ATOM 412 CA GLY A 40 5.752 9.595 -12.887 1.00 0.00 C ATOM 413 C GLY A 40 6.479 8.255 -13.027 1.00 0.00 C ATOM 414 O GLY A 40 6.230 7.507 -13.949 1.00 0.00 O ATOM 0 H GLY A 40 5.983 10.460 -10.948 1.00 0.00 H new ATOM 0 HA2 GLY A 40 4.714 9.425 -12.601 1.00 0.00 H new ATOM 0 HA3 GLY A 40 5.738 10.111 -13.847 1.00 0.00 H new ATOM 418 N TYR A 41 7.367 7.980 -12.106 1.00 0.00 N ATOM 419 CA TYR A 41 8.115 6.693 -12.177 1.00 0.00 C ATOM 420 C TYR A 41 8.478 6.187 -10.790 1.00 0.00 C ATOM 421 O TYR A 41 8.820 6.961 -9.917 1.00 0.00 O ATOM 422 CB TYR A 41 9.411 6.924 -12.967 1.00 0.00 C ATOM 423 CG TYR A 41 9.081 7.672 -14.259 1.00 0.00 C ATOM 424 CD1 TYR A 41 8.422 7.035 -15.290 1.00 0.00 C ATOM 425 CD2 TYR A 41 9.428 8.996 -14.406 1.00 0.00 C ATOM 426 CE1 TYR A 41 8.112 7.716 -16.451 1.00 0.00 C ATOM 427 CE2 TYR A 41 9.118 9.678 -15.564 1.00 0.00 C ATOM 428 CZ TYR A 41 8.459 9.043 -16.597 1.00 0.00 C ATOM 429 OH TYR A 41 8.156 9.723 -17.757 1.00 0.00 O ATOM 0 H TYR A 41 7.603 8.583 -11.318 1.00 0.00 H new ATOM 0 HA TYR A 41 7.482 5.950 -12.662 1.00 0.00 H new ATOM 0 HB2 TYR A 41 10.118 7.499 -12.370 1.00 0.00 H new ATOM 0 HB3 TYR A 41 9.888 5.971 -13.195 1.00 0.00 H new ATOM 0 HD1 TYR A 41 8.146 5.996 -15.189 1.00 0.00 H new ATOM 0 HD2 TYR A 41 9.947 9.505 -13.608 1.00 0.00 H new ATOM 0 HE1 TYR A 41 7.594 7.206 -17.250 1.00 0.00 H new ATOM 0 HE2 TYR A 41 9.393 10.718 -15.663 1.00 0.00 H new ATOM 0 HH TYR A 41 8.473 10.648 -17.686 1.00 0.00 H new ATOM 439 N ILE A 42 8.388 4.890 -10.617 1.00 0.00 N ATOM 440 CA ILE A 42 8.722 4.290 -9.296 1.00 0.00 C ATOM 441 C ILE A 42 9.836 3.273 -9.448 1.00 0.00 C ATOM 442 O ILE A 42 9.980 2.662 -10.485 1.00 0.00 O ATOM 443 CB ILE A 42 7.486 3.570 -8.757 1.00 0.00 C ATOM 444 CG1 ILE A 42 6.695 2.997 -9.911 1.00 0.00 C ATOM 445 CG2 ILE A 42 6.603 4.583 -8.014 1.00 0.00 C ATOM 446 CD1 ILE A 42 5.633 2.042 -9.367 1.00 0.00 C ATOM 0 H ILE A 42 8.098 4.226 -11.335 1.00 0.00 H new ATOM 0 HA ILE A 42 9.041 5.080 -8.617 1.00 0.00 H new ATOM 0 HB ILE A 42 7.794 2.770 -8.084 1.00 0.00 H new ATOM 0 HG12 ILE A 42 6.223 3.799 -10.478 1.00 0.00 H new ATOM 0 HG13 ILE A 42 7.359 2.470 -10.596 1.00 0.00 H new ATOM 0 HG21 ILE A 42 5.718 4.078 -7.626 1.00 0.00 H new ATOM 0 HG22 ILE A 42 7.165 5.018 -7.187 1.00 0.00 H new ATOM 0 HG23 ILE A 42 6.298 5.373 -8.701 1.00 0.00 H new ATOM 0 HD11 ILE A 42 5.059 1.626 -10.195 1.00 0.00 H new ATOM 0 HD12 ILE A 42 6.117 1.234 -8.818 1.00 0.00 H new ATOM 0 HD13 ILE A 42 4.964 2.584 -8.699 1.00 0.00 H new ATOM 458 N ASN A 43 10.612 3.110 -8.416 1.00 0.00 N ATOM 459 CA ASN A 43 11.718 2.131 -8.497 1.00 0.00 C ATOM 460 C ASN A 43 11.246 0.772 -7.994 1.00 0.00 C ATOM 461 O ASN A 43 10.439 0.696 -7.092 1.00 0.00 O ATOM 462 CB ASN A 43 12.873 2.617 -7.607 1.00 0.00 C ATOM 463 CG ASN A 43 13.324 4.005 -8.075 1.00 0.00 C ATOM 464 OD1 ASN A 43 12.674 4.999 -7.819 1.00 0.00 O ATOM 465 ND2 ASN A 43 14.430 4.115 -8.761 1.00 0.00 N ATOM 0 H ASN A 43 10.527 3.608 -7.530 1.00 0.00 H new ATOM 0 HA ASN A 43 12.047 2.038 -9.532 1.00 0.00 H new ATOM 0 HB2 ASN A 43 12.553 2.658 -6.566 1.00 0.00 H new ATOM 0 HB3 ASN A 43 13.706 1.915 -7.657 1.00 0.00 H new ATOM 0 HD21 ASN A 43 14.744 5.032 -9.079 1.00 0.00 H new ATOM 0 HD22 ASN A 43 14.980 3.284 -8.979 1.00 0.00 H new ATOM 472 N CYS A 44 11.750 -0.273 -8.587 1.00 0.00 N ATOM 473 CA CYS A 44 11.332 -1.630 -8.146 1.00 0.00 C ATOM 474 C CYS A 44 11.402 -1.756 -6.624 1.00 0.00 C ATOM 475 O CYS A 44 10.939 -2.727 -6.056 1.00 0.00 O ATOM 476 CB CYS A 44 12.284 -2.655 -8.778 1.00 0.00 C ATOM 477 SG CYS A 44 13.894 -2.892 -7.989 1.00 0.00 S ATOM 0 H CYS A 44 12.426 -0.247 -9.350 1.00 0.00 H new ATOM 0 HA CYS A 44 10.303 -1.807 -8.458 1.00 0.00 H new ATOM 0 HB2 CYS A 44 11.775 -3.618 -8.801 1.00 0.00 H new ATOM 0 HB3 CYS A 44 12.456 -2.361 -9.813 1.00 0.00 H new ATOM 0 HG CYS A 44 14.570 -3.789 -8.644 1.00 0.00 H new ATOM 483 N ARG A 45 11.990 -0.777 -5.988 1.00 0.00 N ATOM 484 CA ARG A 45 12.089 -0.832 -4.511 1.00 0.00 C ATOM 485 C ARG A 45 10.731 -0.569 -3.894 1.00 0.00 C ATOM 486 O ARG A 45 10.201 -1.392 -3.178 1.00 0.00 O ATOM 487 CB ARG A 45 13.067 0.258 -4.039 1.00 0.00 C ATOM 488 CG ARG A 45 14.279 0.291 -4.970 1.00 0.00 C ATOM 489 CD ARG A 45 15.213 1.422 -4.532 1.00 0.00 C ATOM 490 NE ARG A 45 14.395 2.626 -4.205 1.00 0.00 N ATOM 491 CZ ARG A 45 14.729 3.784 -4.707 1.00 0.00 C ATOM 492 NH1 ARG A 45 15.936 4.233 -4.503 1.00 0.00 N ATOM 493 NH2 ARG A 45 13.845 4.453 -5.396 1.00 0.00 N ATOM 0 H ARG A 45 12.400 0.047 -6.427 1.00 0.00 H new ATOM 0 HA ARG A 45 12.441 -1.818 -4.207 1.00 0.00 H new ATOM 0 HB2 ARG A 45 12.572 1.229 -4.034 1.00 0.00 H new ATOM 0 HB3 ARG A 45 13.386 0.058 -3.016 1.00 0.00 H new ATOM 0 HG2 ARG A 45 14.804 -0.664 -4.939 1.00 0.00 H new ATOM 0 HG3 ARG A 45 13.958 0.445 -6.000 1.00 0.00 H new ATOM 0 HD2 ARG A 45 15.795 1.115 -3.663 1.00 0.00 H new ATOM 0 HD3 ARG A 45 15.923 1.653 -5.326 1.00 0.00 H new ATOM 0 HE ARG A 45 13.582 2.545 -3.595 1.00 0.00 H new ATOM 0 HH11 ARG A 45 16.600 3.682 -3.959 1.00 0.00 H new ATOM 0 HH12 ARG A 45 16.216 5.136 -4.887 1.00 0.00 H new ATOM 0 HH21 ARG A 45 12.910 4.069 -5.535 1.00 0.00 H new ATOM 0 HH22 ARG A 45 14.089 5.359 -5.795 1.00 0.00 H new ATOM 507 N ASP A 46 10.187 0.581 -4.183 1.00 0.00 N ATOM 508 CA ASP A 46 8.862 0.914 -3.623 1.00 0.00 C ATOM 509 C ASP A 46 7.860 -0.172 -3.981 1.00 0.00 C ATOM 510 O ASP A 46 7.037 -0.549 -3.175 1.00 0.00 O ATOM 511 CB ASP A 46 8.398 2.247 -4.233 1.00 0.00 C ATOM 512 CG ASP A 46 9.600 3.184 -4.370 1.00 0.00 C ATOM 513 OD1 ASP A 46 10.350 2.969 -5.309 1.00 0.00 O ATOM 514 OD2 ASP A 46 9.701 4.062 -3.530 1.00 0.00 O ATOM 0 H ASP A 46 10.605 1.295 -4.779 1.00 0.00 H new ATOM 0 HA ASP A 46 8.930 0.992 -2.538 1.00 0.00 H new ATOM 0 HB2 ASP A 46 7.943 2.075 -5.208 1.00 0.00 H new ATOM 0 HB3 ASP A 46 7.636 2.704 -3.602 1.00 0.00 H new ATOM 519 N LEU A 47 7.950 -0.649 -5.200 1.00 0.00 N ATOM 520 CA LEU A 47 7.018 -1.715 -5.649 1.00 0.00 C ATOM 521 C LEU A 47 6.773 -2.726 -4.559 1.00 0.00 C ATOM 522 O LEU A 47 5.699 -2.801 -4.032 1.00 0.00 O ATOM 523 CB LEU A 47 7.655 -2.455 -6.821 1.00 0.00 C ATOM 524 CG LEU A 47 7.188 -1.846 -8.128 1.00 0.00 C ATOM 525 CD1 LEU A 47 5.700 -2.126 -8.332 1.00 0.00 C ATOM 526 CD2 LEU A 47 7.447 -0.337 -8.114 1.00 0.00 C ATOM 0 H LEU A 47 8.629 -0.343 -5.897 1.00 0.00 H new ATOM 0 HA LEU A 47 6.074 -1.246 -5.924 1.00 0.00 H new ATOM 0 HB2 LEU A 47 8.741 -2.399 -6.751 1.00 0.00 H new ATOM 0 HB3 LEU A 47 7.387 -3.511 -6.785 1.00 0.00 H new ATOM 0 HG LEU A 47 7.743 -2.293 -8.953 1.00 0.00 H new ATOM 0 HD11 LEU A 47 5.373 -1.685 -9.273 1.00 0.00 H new ATOM 0 HD12 LEU A 47 5.533 -3.203 -8.358 1.00 0.00 H new ATOM 0 HD13 LEU A 47 5.132 -1.690 -7.510 1.00 0.00 H new ATOM 0 HD21 LEU A 47 7.110 0.099 -9.055 1.00 0.00 H new ATOM 0 HD22 LEU A 47 6.901 0.118 -7.288 1.00 0.00 H new ATOM 0 HD23 LEU A 47 8.514 -0.152 -7.990 1.00 0.00 H new ATOM 538 N GLY A 48 7.781 -3.507 -4.261 1.00 0.00 N ATOM 539 CA GLY A 48 7.621 -4.536 -3.193 1.00 0.00 C ATOM 540 C GLY A 48 6.770 -3.974 -2.065 1.00 0.00 C ATOM 541 O GLY A 48 5.916 -4.652 -1.521 1.00 0.00 O ATOM 0 H GLY A 48 8.698 -3.477 -4.707 1.00 0.00 H new ATOM 0 HA2 GLY A 48 7.153 -5.431 -3.604 1.00 0.00 H new ATOM 0 HA3 GLY A 48 8.598 -4.833 -2.811 1.00 0.00 H new ATOM 545 N ASN A 49 7.006 -2.734 -1.751 1.00 0.00 N ATOM 546 CA ASN A 49 6.225 -2.109 -0.670 1.00 0.00 C ATOM 547 C ASN A 49 4.879 -1.619 -1.194 1.00 0.00 C ATOM 548 O ASN A 49 3.905 -1.615 -0.472 1.00 0.00 O ATOM 549 CB ASN A 49 7.017 -0.914 -0.115 1.00 0.00 C ATOM 550 CG ASN A 49 8.477 -1.324 0.087 1.00 0.00 C ATOM 551 OD1 ASN A 49 9.235 -1.431 -0.851 1.00 0.00 O ATOM 552 ND2 ASN A 49 8.910 -1.561 1.294 1.00 0.00 N ATOM 0 H ASN A 49 7.702 -2.135 -2.196 1.00 0.00 H new ATOM 0 HA ASN A 49 6.047 -2.846 0.113 1.00 0.00 H new ATOM 0 HB2 ASN A 49 6.956 -0.071 -0.804 1.00 0.00 H new ATOM 0 HB3 ASN A 49 6.586 -0.585 0.830 1.00 0.00 H new ATOM 0 HD21 ASN A 49 9.881 -1.834 1.443 1.00 0.00 H new ATOM 0 HD22 ASN A 49 8.277 -1.473 2.089 1.00 0.00 H new ATOM 559 N CYS A 50 4.837 -1.220 -2.448 1.00 0.00 N ATOM 560 CA CYS A 50 3.547 -0.734 -3.004 1.00 0.00 C ATOM 561 C CYS A 50 2.701 -1.915 -3.440 1.00 0.00 C ATOM 562 O CYS A 50 1.490 -1.889 -3.358 1.00 0.00 O ATOM 563 CB CYS A 50 3.840 0.151 -4.226 1.00 0.00 C ATOM 564 SG CYS A 50 2.808 1.621 -4.457 1.00 0.00 S ATOM 0 H CYS A 50 5.628 -1.213 -3.092 1.00 0.00 H new ATOM 0 HA CYS A 50 3.010 -0.166 -2.244 1.00 0.00 H new ATOM 0 HB2 CYS A 50 4.879 0.475 -4.166 1.00 0.00 H new ATOM 0 HB3 CYS A 50 3.750 -0.467 -5.119 1.00 0.00 H new ATOM 0 HG CYS A 50 3.181 2.548 -3.626 1.00 0.00 H new ATOM 570 N MET A 51 3.365 -2.935 -3.894 1.00 0.00 N ATOM 571 CA MET A 51 2.652 -4.139 -4.344 1.00 0.00 C ATOM 572 C MET A 51 1.969 -4.822 -3.168 1.00 0.00 C ATOM 573 O MET A 51 0.844 -5.275 -3.276 1.00 0.00 O ATOM 574 CB MET A 51 3.688 -5.099 -4.951 1.00 0.00 C ATOM 575 CG MET A 51 4.294 -4.452 -6.203 1.00 0.00 C ATOM 576 SD MET A 51 3.322 -4.527 -7.728 1.00 0.00 S ATOM 577 CE MET A 51 3.705 -6.242 -8.154 1.00 0.00 C ATOM 0 H MET A 51 4.381 -2.979 -3.970 1.00 0.00 H new ATOM 0 HA MET A 51 1.892 -3.867 -5.076 1.00 0.00 H new ATOM 0 HB2 MET A 51 4.470 -5.318 -4.224 1.00 0.00 H new ATOM 0 HB3 MET A 51 3.217 -6.048 -5.208 1.00 0.00 H new ATOM 0 HG2 MET A 51 4.491 -3.403 -5.979 1.00 0.00 H new ATOM 0 HG3 MET A 51 5.258 -4.924 -6.394 1.00 0.00 H new ATOM 0 HE1 MET A 51 3.257 -6.486 -9.117 1.00 0.00 H new ATOM 0 HE2 MET A 51 4.786 -6.369 -8.213 1.00 0.00 H new ATOM 0 HE3 MET A 51 3.303 -6.906 -7.388 1.00 0.00 H new ATOM 587 N ARG A 52 2.658 -4.883 -2.057 1.00 0.00 N ATOM 588 CA ARG A 52 2.055 -5.534 -0.872 1.00 0.00 C ATOM 589 C ARG A 52 0.940 -4.667 -0.300 1.00 0.00 C ATOM 590 O ARG A 52 -0.118 -5.158 0.041 1.00 0.00 O ATOM 591 CB ARG A 52 3.158 -5.714 0.190 1.00 0.00 C ATOM 592 CG ARG A 52 2.578 -6.422 1.418 1.00 0.00 C ATOM 593 CD ARG A 52 2.748 -7.933 1.252 1.00 0.00 C ATOM 594 NE ARG A 52 4.197 -8.250 1.129 1.00 0.00 N ATOM 595 CZ ARG A 52 4.592 -9.487 1.267 1.00 0.00 C ATOM 596 NH1 ARG A 52 3.701 -10.440 1.228 1.00 0.00 N ATOM 597 NH2 ARG A 52 5.861 -9.729 1.441 1.00 0.00 N ATOM 0 H ARG A 52 3.600 -4.513 -1.926 1.00 0.00 H new ATOM 0 HA ARG A 52 1.633 -6.498 -1.157 1.00 0.00 H new ATOM 0 HB2 ARG A 52 3.982 -6.296 -0.222 1.00 0.00 H new ATOM 0 HB3 ARG A 52 3.564 -4.744 0.475 1.00 0.00 H new ATOM 0 HG2 ARG A 52 3.085 -6.084 2.321 1.00 0.00 H new ATOM 0 HG3 ARG A 52 1.523 -6.173 1.532 1.00 0.00 H new ATOM 0 HD2 ARG A 52 2.320 -8.456 2.108 1.00 0.00 H new ATOM 0 HD3 ARG A 52 2.212 -8.277 0.368 1.00 0.00 H new ATOM 0 HE ARG A 52 4.873 -7.510 0.939 1.00 0.00 H new ATOM 0 HH11 ARG A 52 2.716 -10.212 1.092 1.00 0.00 H new ATOM 0 HH12 ARG A 52 3.990 -11.413 1.334 1.00 0.00 H new ATOM 0 HH21 ARG A 52 6.528 -8.958 1.468 1.00 0.00 H new ATOM 0 HH22 ARG A 52 6.187 -10.689 1.551 1.00 0.00 H new ATOM 611 N THR A 53 1.195 -3.394 -0.204 1.00 0.00 N ATOM 612 CA THR A 53 0.159 -2.489 0.342 1.00 0.00 C ATOM 613 C THR A 53 -0.938 -2.253 -0.690 1.00 0.00 C ATOM 614 O THR A 53 -1.965 -1.676 -0.392 1.00 0.00 O ATOM 615 CB THR A 53 0.825 -1.150 0.684 1.00 0.00 C ATOM 616 OG1 THR A 53 1.143 -1.232 2.059 1.00 0.00 O ATOM 617 CG2 THR A 53 -0.176 0.011 0.590 1.00 0.00 C ATOM 0 H THR A 53 2.070 -2.947 -0.479 1.00 0.00 H new ATOM 0 HA THR A 53 -0.288 -2.938 1.229 1.00 0.00 H new ATOM 0 HB THR A 53 1.666 -0.979 0.012 1.00 0.00 H new ATOM 0 HG1 THR A 53 1.577 -0.401 2.344 1.00 0.00 H new ATOM 0 HG21 THR A 53 0.327 0.946 0.838 1.00 0.00 H new ATOM 0 HG22 THR A 53 -0.571 0.070 -0.424 1.00 0.00 H new ATOM 0 HG23 THR A 53 -0.995 -0.157 1.289 1.00 0.00 H new ATOM 625 N MET A 54 -0.704 -2.718 -1.888 1.00 0.00 N ATOM 626 CA MET A 54 -1.717 -2.531 -2.951 1.00 0.00 C ATOM 627 C MET A 54 -2.752 -3.649 -2.939 1.00 0.00 C ATOM 628 O MET A 54 -3.924 -3.406 -3.145 1.00 0.00 O ATOM 629 CB MET A 54 -1.007 -2.536 -4.311 1.00 0.00 C ATOM 630 CG MET A 54 -2.031 -2.831 -5.407 1.00 0.00 C ATOM 631 SD MET A 54 -2.465 -4.563 -5.699 1.00 0.00 S ATOM 632 CE MET A 54 -4.195 -4.289 -6.154 1.00 0.00 C ATOM 0 H MET A 54 0.141 -3.215 -2.170 1.00 0.00 H new ATOM 0 HA MET A 54 -2.229 -1.585 -2.775 1.00 0.00 H new ATOM 0 HB2 MET A 54 -0.531 -1.572 -4.490 1.00 0.00 H new ATOM 0 HB3 MET A 54 -0.218 -3.288 -4.321 1.00 0.00 H new ATOM 0 HG2 MET A 54 -2.947 -2.291 -5.166 1.00 0.00 H new ATOM 0 HG3 MET A 54 -1.653 -2.417 -6.341 1.00 0.00 H new ATOM 0 HE1 MET A 54 -4.623 -5.217 -6.533 1.00 0.00 H new ATOM 0 HE2 MET A 54 -4.754 -3.962 -5.277 1.00 0.00 H new ATOM 0 HE3 MET A 54 -4.251 -3.522 -6.927 1.00 0.00 H new ATOM 642 N GLY A 55 -2.313 -4.861 -2.698 1.00 0.00 N ATOM 643 CA GLY A 55 -3.299 -5.983 -2.681 1.00 0.00 C ATOM 644 C GLY A 55 -2.860 -7.101 -1.741 1.00 0.00 C ATOM 645 O GLY A 55 -3.630 -7.995 -1.445 1.00 0.00 O ATOM 0 H GLY A 55 -1.342 -5.117 -2.517 1.00 0.00 H new ATOM 0 HA2 GLY A 55 -4.274 -5.607 -2.370 1.00 0.00 H new ATOM 0 HA3 GLY A 55 -3.417 -6.380 -3.689 1.00 0.00 H new ATOM 649 N TYR A 56 -1.642 -7.044 -1.288 1.00 0.00 N ATOM 650 CA TYR A 56 -1.180 -8.110 -0.376 1.00 0.00 C ATOM 651 C TYR A 56 -1.525 -9.480 -0.965 1.00 0.00 C ATOM 652 O TYR A 56 -2.453 -10.134 -0.534 1.00 0.00 O ATOM 653 CB TYR A 56 -1.913 -7.922 0.972 1.00 0.00 C ATOM 654 CG TYR A 56 -1.838 -9.207 1.797 1.00 0.00 C ATOM 655 CD1 TYR A 56 -0.626 -9.680 2.248 1.00 0.00 C ATOM 656 CD2 TYR A 56 -2.987 -9.903 2.112 1.00 0.00 C ATOM 657 CE1 TYR A 56 -0.561 -10.832 3.005 1.00 0.00 C ATOM 658 CE2 TYR A 56 -2.923 -11.054 2.868 1.00 0.00 C ATOM 659 CZ TYR A 56 -1.710 -11.528 3.321 1.00 0.00 C ATOM 660 OH TYR A 56 -1.646 -12.678 4.081 1.00 0.00 O ATOM 0 H TYR A 56 -0.960 -6.318 -1.507 1.00 0.00 H new ATOM 0 HA TYR A 56 -0.100 -8.055 -0.237 1.00 0.00 H new ATOM 0 HB2 TYR A 56 -1.464 -7.098 1.527 1.00 0.00 H new ATOM 0 HB3 TYR A 56 -2.955 -7.656 0.794 1.00 0.00 H new ATOM 0 HD1 TYR A 56 0.281 -9.145 2.007 1.00 0.00 H new ATOM 0 HD2 TYR A 56 -3.944 -9.543 1.764 1.00 0.00 H new ATOM 0 HE1 TYR A 56 0.396 -11.192 3.353 1.00 0.00 H new ATOM 0 HE2 TYR A 56 -3.830 -11.589 3.107 1.00 0.00 H new ATOM 0 HH TYR A 56 -2.549 -13.037 4.208 1.00 0.00 H new ATOM 670 N MET A 57 -0.773 -9.881 -1.957 1.00 0.00 N ATOM 671 CA MET A 57 -1.045 -11.199 -2.585 1.00 0.00 C ATOM 672 C MET A 57 0.192 -11.823 -3.282 1.00 0.00 C ATOM 673 O MET A 57 0.357 -13.026 -3.262 1.00 0.00 O ATOM 674 CB MET A 57 -2.147 -11.007 -3.637 1.00 0.00 C ATOM 675 CG MET A 57 -2.915 -12.319 -3.803 1.00 0.00 C ATOM 676 SD MET A 57 -3.666 -13.036 -2.320 1.00 0.00 S ATOM 677 CE MET A 57 -5.381 -12.593 -2.697 1.00 0.00 C ATOM 0 H MET A 57 0.008 -9.357 -2.353 1.00 0.00 H new ATOM 0 HA MET A 57 -1.340 -11.882 -1.788 1.00 0.00 H new ATOM 0 HB2 MET A 57 -2.825 -10.211 -3.330 1.00 0.00 H new ATOM 0 HB3 MET A 57 -1.710 -10.704 -4.588 1.00 0.00 H new ATOM 0 HG2 MET A 57 -3.705 -12.157 -4.536 1.00 0.00 H new ATOM 0 HG3 MET A 57 -2.234 -13.057 -4.226 1.00 0.00 H new ATOM 0 HE1 MET A 57 -6.032 -12.946 -1.897 1.00 0.00 H new ATOM 0 HE2 MET A 57 -5.466 -11.510 -2.783 1.00 0.00 H new ATOM 0 HE3 MET A 57 -5.678 -13.056 -3.638 1.00 0.00 H new ATOM 687 N PRO A 58 1.039 -10.999 -3.895 1.00 0.00 N ATOM 688 CA PRO A 58 2.226 -11.512 -4.578 1.00 0.00 C ATOM 689 C PRO A 58 3.218 -12.122 -3.593 1.00 0.00 C ATOM 690 O PRO A 58 2.960 -12.182 -2.408 1.00 0.00 O ATOM 691 CB PRO A 58 2.854 -10.281 -5.265 1.00 0.00 C ATOM 692 CG PRO A 58 1.940 -9.059 -4.945 1.00 0.00 C ATOM 693 CD PRO A 58 0.883 -9.538 -3.937 1.00 0.00 C ATOM 0 HA PRO A 58 1.967 -12.302 -5.283 1.00 0.00 H new ATOM 0 HB2 PRO A 58 3.866 -10.111 -4.899 1.00 0.00 H new ATOM 0 HB3 PRO A 58 2.926 -10.436 -6.341 1.00 0.00 H new ATOM 0 HG2 PRO A 58 2.525 -8.239 -4.529 1.00 0.00 H new ATOM 0 HG3 PRO A 58 1.466 -8.685 -5.852 1.00 0.00 H new ATOM 0 HD2 PRO A 58 1.044 -9.095 -2.954 1.00 0.00 H new ATOM 0 HD3 PRO A 58 -0.121 -9.256 -4.253 1.00 0.00 H new ATOM 701 N THR A 59 4.337 -12.568 -4.103 1.00 0.00 N ATOM 702 CA THR A 59 5.352 -13.176 -3.209 1.00 0.00 C ATOM 703 C THR A 59 6.287 -12.118 -2.641 1.00 0.00 C ATOM 704 O THR A 59 5.937 -10.960 -2.554 1.00 0.00 O ATOM 705 CB THR A 59 6.180 -14.175 -4.032 1.00 0.00 C ATOM 706 OG1 THR A 59 7.147 -13.396 -4.711 1.00 0.00 O ATOM 707 CG2 THR A 59 5.332 -14.795 -5.154 1.00 0.00 C ATOM 0 H THR A 59 4.585 -12.536 -5.092 1.00 0.00 H new ATOM 0 HA THR A 59 4.844 -13.669 -2.380 1.00 0.00 H new ATOM 0 HB THR A 59 6.576 -14.950 -3.376 1.00 0.00 H new ATOM 0 HG1 THR A 59 6.696 -12.756 -5.301 1.00 0.00 H new ATOM 0 HG21 THR A 59 5.940 -15.499 -5.723 1.00 0.00 H new ATOM 0 HG22 THR A 59 4.481 -15.319 -4.719 1.00 0.00 H new ATOM 0 HG23 THR A 59 4.973 -14.007 -5.817 1.00 0.00 H new ATOM 715 N GLU A 60 7.460 -12.552 -2.254 1.00 0.00 N ATOM 716 CA GLU A 60 8.458 -11.612 -1.684 1.00 0.00 C ATOM 717 C GLU A 60 9.789 -11.767 -2.410 1.00 0.00 C ATOM 718 O GLU A 60 10.838 -11.472 -1.872 1.00 0.00 O ATOM 719 CB GLU A 60 8.655 -11.959 -0.196 1.00 0.00 C ATOM 720 CG GLU A 60 9.289 -10.766 0.526 1.00 0.00 C ATOM 721 CD GLU A 60 8.817 -10.745 1.984 1.00 0.00 C ATOM 722 OE1 GLU A 60 9.216 -11.653 2.694 1.00 0.00 O ATOM 723 OE2 GLU A 60 8.085 -9.823 2.302 1.00 0.00 O ATOM 0 H GLU A 60 7.766 -13.523 -2.311 1.00 0.00 H new ATOM 0 HA GLU A 60 8.106 -10.586 -1.797 1.00 0.00 H new ATOM 0 HB2 GLU A 60 7.697 -12.207 0.261 1.00 0.00 H new ATOM 0 HB3 GLU A 60 9.292 -12.838 -0.098 1.00 0.00 H new ATOM 0 HG2 GLU A 60 10.376 -10.838 0.485 1.00 0.00 H new ATOM 0 HG3 GLU A 60 9.012 -9.836 0.029 1.00 0.00 H new ATOM 730 N MET A 61 9.712 -12.234 -3.626 1.00 0.00 N ATOM 731 CA MET A 61 10.945 -12.429 -4.428 1.00 0.00 C ATOM 732 C MET A 61 10.580 -12.740 -5.869 1.00 0.00 C ATOM 733 O MET A 61 11.443 -12.884 -6.718 1.00 0.00 O ATOM 734 CB MET A 61 11.728 -13.608 -3.845 1.00 0.00 C ATOM 735 CG MET A 61 10.743 -14.680 -3.383 1.00 0.00 C ATOM 736 SD MET A 61 11.435 -16.196 -2.676 1.00 0.00 S ATOM 737 CE MET A 61 11.412 -17.184 -4.193 1.00 0.00 C ATOM 0 H MET A 61 8.844 -12.489 -4.097 1.00 0.00 H new ATOM 0 HA MET A 61 11.547 -11.521 -4.398 1.00 0.00 H new ATOM 0 HB2 MET A 61 12.406 -14.017 -4.594 1.00 0.00 H new ATOM 0 HB3 MET A 61 12.342 -13.275 -3.008 1.00 0.00 H new ATOM 0 HG2 MET A 61 10.082 -14.233 -2.640 1.00 0.00 H new ATOM 0 HG3 MET A 61 10.123 -14.958 -4.235 1.00 0.00 H new ATOM 0 HE1 MET A 61 11.805 -18.179 -3.985 1.00 0.00 H new ATOM 0 HE2 MET A 61 10.388 -17.267 -4.558 1.00 0.00 H new ATOM 0 HE3 MET A 61 12.029 -16.701 -4.951 1.00 0.00 H new ATOM 747 N GLU A 62 9.309 -12.923 -6.105 1.00 0.00 N ATOM 748 CA GLU A 62 8.864 -13.221 -7.478 1.00 0.00 C ATOM 749 C GLU A 62 8.525 -11.916 -8.168 1.00 0.00 C ATOM 750 O GLU A 62 8.943 -11.671 -9.285 1.00 0.00 O ATOM 751 CB GLU A 62 7.615 -14.111 -7.419 1.00 0.00 C ATOM 752 CG GLU A 62 7.609 -15.053 -8.626 1.00 0.00 C ATOM 753 CD GLU A 62 7.709 -14.232 -9.915 1.00 0.00 C ATOM 754 OE1 GLU A 62 6.990 -13.249 -9.989 1.00 0.00 O ATOM 755 OE2 GLU A 62 8.499 -14.634 -10.754 1.00 0.00 O ATOM 0 H GLU A 62 8.569 -12.877 -5.404 1.00 0.00 H new ATOM 0 HA GLU A 62 9.650 -13.738 -8.028 1.00 0.00 H new ATOM 0 HB2 GLU A 62 7.608 -14.687 -6.494 1.00 0.00 H new ATOM 0 HB3 GLU A 62 6.715 -13.496 -7.419 1.00 0.00 H new ATOM 0 HG2 GLU A 62 8.444 -15.750 -8.561 1.00 0.00 H new ATOM 0 HG3 GLU A 62 6.696 -15.649 -8.631 1.00 0.00 H new ATOM 762 N LEU A 63 7.761 -11.091 -7.487 1.00 0.00 N ATOM 763 CA LEU A 63 7.396 -9.796 -8.096 1.00 0.00 C ATOM 764 C LEU A 63 8.682 -9.114 -8.469 1.00 0.00 C ATOM 765 O LEU A 63 8.726 -8.213 -9.280 1.00 0.00 O ATOM 766 CB LEU A 63 6.659 -8.947 -7.049 1.00 0.00 C ATOM 767 CG LEU A 63 7.515 -8.872 -5.783 1.00 0.00 C ATOM 768 CD1 LEU A 63 8.265 -7.540 -5.760 1.00 0.00 C ATOM 769 CD2 LEU A 63 6.610 -8.963 -4.556 1.00 0.00 C ATOM 0 H LEU A 63 7.387 -11.264 -6.554 1.00 0.00 H new ATOM 0 HA LEU A 63 6.754 -9.929 -8.967 1.00 0.00 H new ATOM 0 HB2 LEU A 63 6.473 -7.946 -7.438 1.00 0.00 H new ATOM 0 HB3 LEU A 63 5.688 -9.387 -6.822 1.00 0.00 H new ATOM 0 HG LEU A 63 8.229 -9.695 -5.773 1.00 0.00 H new ATOM 0 HD11 LEU A 63 8.876 -7.482 -4.859 1.00 0.00 H new ATOM 0 HD12 LEU A 63 8.906 -7.468 -6.639 1.00 0.00 H new ATOM 0 HD13 LEU A 63 7.548 -6.719 -5.765 1.00 0.00 H new ATOM 0 HD21 LEU A 63 7.216 -8.910 -3.652 1.00 0.00 H new ATOM 0 HD22 LEU A 63 5.900 -8.136 -4.566 1.00 0.00 H new ATOM 0 HD23 LEU A 63 6.067 -9.908 -4.574 1.00 0.00 H new ATOM 781 N ILE A 64 9.709 -9.572 -7.828 1.00 0.00 N ATOM 782 CA ILE A 64 11.046 -9.039 -8.056 1.00 0.00 C ATOM 783 C ILE A 64 11.491 -9.398 -9.472 1.00 0.00 C ATOM 784 O ILE A 64 11.850 -8.543 -10.256 1.00 0.00 O ATOM 785 CB ILE A 64 11.947 -9.763 -7.044 1.00 0.00 C ATOM 786 CG1 ILE A 64 12.155 -8.939 -5.784 1.00 0.00 C ATOM 787 CG2 ILE A 64 13.310 -10.090 -7.685 1.00 0.00 C ATOM 788 CD1 ILE A 64 12.664 -7.566 -6.137 1.00 0.00 C ATOM 0 H ILE A 64 9.663 -10.319 -7.135 1.00 0.00 H new ATOM 0 HA ILE A 64 11.086 -7.956 -7.943 1.00 0.00 H new ATOM 0 HB ILE A 64 11.445 -10.688 -6.760 1.00 0.00 H new ATOM 0 HG12 ILE A 64 11.217 -8.857 -5.236 1.00 0.00 H new ATOM 0 HG13 ILE A 64 12.865 -9.440 -5.126 1.00 0.00 H new ATOM 0 HG21 ILE A 64 13.940 -10.603 -6.958 1.00 0.00 H new ATOM 0 HG22 ILE A 64 13.159 -10.733 -8.552 1.00 0.00 H new ATOM 0 HG23 ILE A 64 13.796 -9.166 -7.998 1.00 0.00 H new ATOM 0 HD11 ILE A 64 12.809 -6.986 -5.225 1.00 0.00 H new ATOM 0 HD12 ILE A 64 13.613 -7.655 -6.665 1.00 0.00 H new ATOM 0 HD13 ILE A 64 11.939 -7.062 -6.776 1.00 0.00 H new ATOM 800 N GLU A 65 11.457 -10.677 -9.760 1.00 0.00 N ATOM 801 CA GLU A 65 11.865 -11.142 -11.103 1.00 0.00 C ATOM 802 C GLU A 65 11.114 -10.377 -12.173 1.00 0.00 C ATOM 803 O GLU A 65 11.609 -10.176 -13.264 1.00 0.00 O ATOM 804 CB GLU A 65 11.516 -12.635 -11.225 1.00 0.00 C ATOM 805 CG GLU A 65 12.373 -13.437 -10.242 1.00 0.00 C ATOM 806 CD GLU A 65 13.852 -13.252 -10.586 1.00 0.00 C ATOM 807 OE1 GLU A 65 14.125 -13.173 -11.772 1.00 0.00 O ATOM 808 OE2 GLU A 65 14.625 -13.204 -9.643 1.00 0.00 O ATOM 0 H GLU A 65 11.163 -11.412 -9.116 1.00 0.00 H new ATOM 0 HA GLU A 65 12.935 -10.980 -11.234 1.00 0.00 H new ATOM 0 HB2 GLU A 65 10.458 -12.791 -11.014 1.00 0.00 H new ATOM 0 HB3 GLU A 65 11.692 -12.979 -12.244 1.00 0.00 H new ATOM 0 HG2 GLU A 65 12.182 -13.105 -9.222 1.00 0.00 H new ATOM 0 HG3 GLU A 65 12.107 -14.493 -10.289 1.00 0.00 H new ATOM 815 N LEU A 66 9.922 -9.971 -11.850 1.00 0.00 N ATOM 816 CA LEU A 66 9.133 -9.219 -12.840 1.00 0.00 C ATOM 817 C LEU A 66 9.723 -7.830 -13.028 1.00 0.00 C ATOM 818 O LEU A 66 9.992 -7.408 -14.140 1.00 0.00 O ATOM 819 CB LEU A 66 7.694 -9.094 -12.326 1.00 0.00 C ATOM 820 CG LEU A 66 6.991 -10.448 -12.466 1.00 0.00 C ATOM 821 CD1 LEU A 66 5.647 -10.392 -11.739 1.00 0.00 C ATOM 822 CD2 LEU A 66 6.752 -10.743 -13.949 1.00 0.00 C ATOM 0 H LEU A 66 9.468 -10.128 -10.950 1.00 0.00 H new ATOM 0 HA LEU A 66 9.149 -9.743 -13.796 1.00 0.00 H new ATOM 0 HB2 LEU A 66 7.694 -8.776 -11.283 1.00 0.00 H new ATOM 0 HB3 LEU A 66 7.158 -8.332 -12.892 1.00 0.00 H new ATOM 0 HG LEU A 66 7.612 -11.232 -12.033 1.00 0.00 H new ATOM 0 HD11 LEU A 66 5.141 -11.353 -11.835 1.00 0.00 H new ATOM 0 HD12 LEU A 66 5.813 -10.173 -10.684 1.00 0.00 H new ATOM 0 HD13 LEU A 66 5.028 -9.611 -12.179 1.00 0.00 H new ATOM 0 HD21 LEU A 66 6.252 -11.706 -14.052 1.00 0.00 H new ATOM 0 HD22 LEU A 66 6.126 -9.961 -14.379 1.00 0.00 H new ATOM 0 HD23 LEU A 66 7.707 -10.772 -14.473 1.00 0.00 H new ATOM 834 N SER A 67 9.928 -7.141 -11.936 1.00 0.00 N ATOM 835 CA SER A 67 10.502 -5.781 -12.040 1.00 0.00 C ATOM 836 C SER A 67 11.899 -5.853 -12.641 1.00 0.00 C ATOM 837 O SER A 67 12.469 -4.853 -13.030 1.00 0.00 O ATOM 838 CB SER A 67 10.566 -5.165 -10.630 1.00 0.00 C ATOM 839 OG SER A 67 11.839 -5.555 -10.130 1.00 0.00 O ATOM 0 H SER A 67 9.723 -7.462 -10.990 1.00 0.00 H new ATOM 0 HA SER A 67 9.878 -5.163 -12.685 1.00 0.00 H new ATOM 0 HB2 SER A 67 10.469 -4.080 -10.666 1.00 0.00 H new ATOM 0 HB3 SER A 67 9.760 -5.537 -9.997 1.00 0.00 H new ATOM 0 HG SER A 67 11.910 -6.532 -10.142 1.00 0.00 H new ATOM 845 N GLN A 68 12.426 -7.047 -12.694 1.00 0.00 N ATOM 846 CA GLN A 68 13.780 -7.229 -13.266 1.00 0.00 C ATOM 847 C GLN A 68 13.647 -7.370 -14.758 1.00 0.00 C ATOM 848 O GLN A 68 14.437 -6.852 -15.506 1.00 0.00 O ATOM 849 CB GLN A 68 14.393 -8.513 -12.695 1.00 0.00 C ATOM 850 CG GLN A 68 15.121 -8.194 -11.394 1.00 0.00 C ATOM 851 CD GLN A 68 16.035 -9.363 -11.039 1.00 0.00 C ATOM 852 OE1 GLN A 68 15.718 -10.558 -11.456 1.00 0.00 O flip ATOM 853 NE2 GLN A 68 17.043 -9.202 -10.381 1.00 0.00 N flip ATOM 0 H GLN A 68 11.974 -7.900 -12.365 1.00 0.00 H new ATOM 0 HA GLN A 68 14.415 -6.378 -13.021 1.00 0.00 H new ATOM 0 HB2 GLN A 68 13.613 -9.253 -12.516 1.00 0.00 H new ATOM 0 HB3 GLN A 68 15.086 -8.949 -13.415 1.00 0.00 H new ATOM 0 HG2 GLN A 68 15.704 -7.279 -11.503 1.00 0.00 H new ATOM 0 HG3 GLN A 68 14.403 -8.021 -10.593 1.00 0.00 H new ATOM 0 HE21 GLN A 68 17.294 -8.269 -10.053 1.00 0.00 H new ATOM 0 HE22 GLN A 68 17.638 -9.999 -10.156 1.00 0.00 H new ATOM 862 N GLN A 69 12.645 -8.087 -15.174 1.00 0.00 N ATOM 863 CA GLN A 69 12.462 -8.253 -16.615 1.00 0.00 C ATOM 864 C GLN A 69 12.340 -6.873 -17.231 1.00 0.00 C ATOM 865 O GLN A 69 12.736 -6.646 -18.357 1.00 0.00 O ATOM 866 CB GLN A 69 11.168 -9.050 -16.863 1.00 0.00 C ATOM 867 CG GLN A 69 11.398 -10.046 -18.004 1.00 0.00 C ATOM 868 CD GLN A 69 10.301 -11.113 -17.968 1.00 0.00 C ATOM 869 OE1 GLN A 69 9.136 -10.824 -18.143 1.00 0.00 O ATOM 870 NE2 GLN A 69 10.633 -12.357 -17.740 1.00 0.00 N ATOM 0 H GLN A 69 11.960 -8.554 -14.579 1.00 0.00 H new ATOM 0 HA GLN A 69 13.303 -8.788 -17.057 1.00 0.00 H new ATOM 0 HB2 GLN A 69 10.874 -9.579 -15.957 1.00 0.00 H new ATOM 0 HB3 GLN A 69 10.352 -8.372 -17.115 1.00 0.00 H new ATOM 0 HG2 GLN A 69 11.387 -9.528 -18.963 1.00 0.00 H new ATOM 0 HG3 GLN A 69 12.379 -10.512 -17.904 1.00 0.00 H new ATOM 0 HE21 GLN A 69 11.611 -12.605 -17.592 1.00 0.00 H new ATOM 0 HE22 GLN A 69 9.914 -13.080 -17.710 1.00 0.00 H new ATOM 879 N ILE A 70 11.787 -5.962 -16.456 1.00 0.00 N ATOM 880 CA ILE A 70 11.619 -4.586 -16.942 1.00 0.00 C ATOM 881 C ILE A 70 12.928 -4.073 -17.530 1.00 0.00 C ATOM 882 O ILE A 70 12.942 -3.351 -18.507 1.00 0.00 O ATOM 883 CB ILE A 70 11.227 -3.735 -15.718 1.00 0.00 C ATOM 884 CG1 ILE A 70 9.954 -2.984 -15.996 1.00 0.00 C ATOM 885 CG2 ILE A 70 12.338 -2.707 -15.396 1.00 0.00 C ATOM 886 CD1 ILE A 70 9.474 -2.363 -14.691 1.00 0.00 C ATOM 0 H ILE A 70 11.450 -6.131 -15.508 1.00 0.00 H new ATOM 0 HA ILE A 70 10.860 -4.535 -17.722 1.00 0.00 H new ATOM 0 HB ILE A 70 11.089 -4.407 -14.871 1.00 0.00 H new ATOM 0 HG12 ILE A 70 10.125 -2.211 -16.745 1.00 0.00 H new ATOM 0 HG13 ILE A 70 9.196 -3.656 -16.399 1.00 0.00 H new ATOM 0 HG21 ILE A 70 12.045 -2.114 -14.529 1.00 0.00 H new ATOM 0 HG22 ILE A 70 13.268 -3.232 -15.179 1.00 0.00 H new ATOM 0 HG23 ILE A 70 12.484 -2.049 -16.253 1.00 0.00 H new ATOM 0 HD11 ILE A 70 8.550 -1.812 -14.868 1.00 0.00 H new ATOM 0 HD12 ILE A 70 9.292 -3.150 -13.959 1.00 0.00 H new ATOM 0 HD13 ILE A 70 10.235 -1.682 -14.311 1.00 0.00 H new ATOM 898 N ASN A 71 14.002 -4.464 -16.915 1.00 0.00 N ATOM 899 CA ASN A 71 15.322 -4.028 -17.397 1.00 0.00 C ATOM 900 C ASN A 71 15.469 -4.257 -18.903 1.00 0.00 C ATOM 901 O ASN A 71 16.408 -3.788 -19.513 1.00 0.00 O ATOM 902 CB ASN A 71 16.395 -4.830 -16.630 1.00 0.00 C ATOM 903 CG ASN A 71 16.824 -6.048 -17.455 1.00 0.00 C ATOM 904 OD1 ASN A 71 15.931 -6.677 -18.171 1.00 0.00 O flip ATOM 905 ND2 ASN A 71 17.977 -6.437 -17.456 1.00 0.00 N flip ATOM 0 H ASN A 71 14.016 -5.070 -16.095 1.00 0.00 H new ATOM 0 HA ASN A 71 15.439 -2.959 -17.220 1.00 0.00 H new ATOM 0 HB2 ASN A 71 17.258 -4.196 -16.425 1.00 0.00 H new ATOM 0 HB3 ASN A 71 16.001 -5.153 -15.667 1.00 0.00 H new ATOM 0 HD21 ASN A 71 18.680 -5.951 -16.899 1.00 0.00 H new ATOM 0 HD22 ASN A 71 18.241 -7.249 -18.014 1.00 0.00 H new ATOM 912 N MET A 72 14.537 -4.976 -19.478 1.00 0.00 N ATOM 913 CA MET A 72 14.621 -5.235 -20.937 1.00 0.00 C ATOM 914 C MET A 72 14.152 -4.012 -21.724 1.00 0.00 C ATOM 915 O MET A 72 13.923 -4.087 -22.916 1.00 0.00 O ATOM 916 CB MET A 72 13.703 -6.422 -21.282 1.00 0.00 C ATOM 917 CG MET A 72 14.428 -7.735 -20.965 1.00 0.00 C ATOM 918 SD MET A 72 15.802 -8.207 -22.047 1.00 0.00 S ATOM 919 CE MET A 72 14.805 -8.831 -23.427 1.00 0.00 C ATOM 0 H MET A 72 13.734 -5.388 -19.003 1.00 0.00 H new ATOM 0 HA MET A 72 15.656 -5.455 -21.200 1.00 0.00 H new ATOM 0 HB2 MET A 72 12.777 -6.358 -20.711 1.00 0.00 H new ATOM 0 HB3 MET A 72 13.430 -6.390 -22.337 1.00 0.00 H new ATOM 0 HG2 MET A 72 14.808 -7.673 -19.945 1.00 0.00 H new ATOM 0 HG3 MET A 72 13.693 -8.539 -20.983 1.00 0.00 H new ATOM 0 HE1 MET A 72 15.463 -9.213 -24.207 1.00 0.00 H new ATOM 0 HE2 MET A 72 14.156 -9.633 -23.074 1.00 0.00 H new ATOM 0 HE3 MET A 72 14.196 -8.022 -23.830 1.00 0.00 H new ATOM 929 N ASN A 73 14.016 -2.904 -21.038 1.00 0.00 N ATOM 930 CA ASN A 73 13.565 -1.666 -21.727 1.00 0.00 C ATOM 931 C ASN A 73 14.132 -0.426 -21.040 1.00 0.00 C ATOM 932 O ASN A 73 15.095 0.154 -21.500 1.00 0.00 O ATOM 933 CB ASN A 73 12.027 -1.602 -21.671 1.00 0.00 C ATOM 934 CG ASN A 73 11.441 -2.416 -22.833 1.00 0.00 C ATOM 935 OD1 ASN A 73 11.068 -3.562 -22.677 1.00 0.00 O ATOM 936 ND2 ASN A 73 11.338 -1.858 -24.011 1.00 0.00 N ATOM 0 H ASN A 73 14.197 -2.808 -20.039 1.00 0.00 H new ATOM 0 HA ASN A 73 13.917 -1.689 -22.758 1.00 0.00 H new ATOM 0 HB2 ASN A 73 11.670 -1.996 -20.720 1.00 0.00 H new ATOM 0 HB3 ASN A 73 11.692 -0.566 -21.733 1.00 0.00 H new ATOM 0 HD21 ASN A 73 10.946 -2.384 -24.792 1.00 0.00 H new ATOM 0 HD22 ASN A 73 11.649 -0.896 -24.149 1.00 0.00 H new ATOM 943 N LEU A 74 13.527 -0.043 -19.946 1.00 0.00 N ATOM 944 CA LEU A 74 14.018 1.150 -19.223 1.00 0.00 C ATOM 945 C LEU A 74 15.259 0.816 -18.414 1.00 0.00 C ATOM 946 O LEU A 74 16.367 1.077 -18.841 1.00 0.00 O ATOM 947 CB LEU A 74 12.917 1.616 -18.264 1.00 0.00 C ATOM 948 CG LEU A 74 11.703 2.061 -19.077 1.00 0.00 C ATOM 949 CD1 LEU A 74 10.637 0.966 -19.032 1.00 0.00 C ATOM 950 CD2 LEU A 74 11.136 3.342 -18.470 1.00 0.00 C ATOM 0 H LEU A 74 12.719 -0.506 -19.530 1.00 0.00 H new ATOM 0 HA LEU A 74 14.269 1.928 -19.944 1.00 0.00 H new ATOM 0 HB2 LEU A 74 12.641 0.808 -17.587 1.00 0.00 H new ATOM 0 HB3 LEU A 74 13.279 2.439 -17.647 1.00 0.00 H new ATOM 0 HG LEU A 74 11.998 2.243 -20.111 1.00 0.00 H new ATOM 0 HD11 LEU A 74 9.769 1.280 -19.611 1.00 0.00 H new ATOM 0 HD12 LEU A 74 11.042 0.046 -19.454 1.00 0.00 H new ATOM 0 HD13 LEU A 74 10.339 0.790 -17.998 1.00 0.00 H new ATOM 0 HD21 LEU A 74 10.269 3.665 -19.046 1.00 0.00 H new ATOM 0 HD22 LEU A 74 10.837 3.155 -17.439 1.00 0.00 H new ATOM 0 HD23 LEU A 74 11.897 4.122 -18.491 1.00 0.00 H new ATOM 962 N GLY A 75 15.050 0.244 -17.255 1.00 0.00 N ATOM 963 CA GLY A 75 16.218 -0.119 -16.395 1.00 0.00 C ATOM 964 C GLY A 75 15.950 0.193 -14.917 1.00 0.00 C ATOM 965 O GLY A 75 16.697 0.923 -14.297 1.00 0.00 O ATOM 0 H GLY A 75 14.134 0.015 -16.870 1.00 0.00 H new ATOM 0 HA2 GLY A 75 16.439 -1.180 -16.509 1.00 0.00 H new ATOM 0 HA3 GLY A 75 17.100 0.428 -16.729 1.00 0.00 H new ATOM 969 N GLY A 76 14.893 -0.360 -14.380 1.00 0.00 N ATOM 970 CA GLY A 76 14.588 -0.092 -12.943 1.00 0.00 C ATOM 971 C GLY A 76 13.632 1.093 -12.799 1.00 0.00 C ATOM 972 O GLY A 76 13.692 1.829 -11.834 1.00 0.00 O ATOM 0 H GLY A 76 14.238 -0.975 -14.864 1.00 0.00 H new ATOM 0 HA2 GLY A 76 14.145 -0.979 -12.490 1.00 0.00 H new ATOM 0 HA3 GLY A 76 15.512 0.114 -12.403 1.00 0.00 H new ATOM 976 N HIS A 77 12.771 1.252 -13.757 1.00 0.00 N ATOM 977 CA HIS A 77 11.807 2.374 -13.693 1.00 0.00 C ATOM 978 C HIS A 77 10.523 1.991 -14.391 1.00 0.00 C ATOM 979 O HIS A 77 10.516 1.732 -15.578 1.00 0.00 O ATOM 980 CB HIS A 77 12.408 3.593 -14.401 1.00 0.00 C ATOM 981 CG HIS A 77 12.977 4.554 -13.353 1.00 0.00 C ATOM 982 ND1 HIS A 77 12.425 5.611 -12.977 1.00 0.00 N ATOM 983 CD2 HIS A 77 14.150 4.473 -12.628 1.00 0.00 C ATOM 984 CE1 HIS A 77 13.116 6.208 -12.097 1.00 0.00 C ATOM 985 NE2 HIS A 77 14.242 5.555 -11.806 1.00 0.00 N ATOM 0 H HIS A 77 12.693 0.654 -14.580 1.00 0.00 H new ATOM 0 HA HIS A 77 11.598 2.607 -12.649 1.00 0.00 H new ATOM 0 HB2 HIS A 77 13.194 3.279 -15.088 1.00 0.00 H new ATOM 0 HB3 HIS A 77 11.646 4.095 -14.997 1.00 0.00 H new ATOM 0 HD2 HIS A 77 14.878 3.679 -12.701 1.00 0.00 H new ATOM 0 HE1 HIS A 77 12.825 7.140 -11.635 1.00 0.00 H new ATOM 0 HE2 HIS A 77 14.977 5.801 -11.143 1.00 0.00 H new ATOM 993 N VAL A 78 9.457 1.968 -13.638 1.00 0.00 N ATOM 994 CA VAL A 78 8.145 1.601 -14.225 1.00 0.00 C ATOM 995 C VAL A 78 7.187 2.780 -14.244 1.00 0.00 C ATOM 996 O VAL A 78 7.132 3.567 -13.318 1.00 0.00 O ATOM 997 CB VAL A 78 7.528 0.458 -13.359 1.00 0.00 C ATOM 998 CG1 VAL A 78 8.406 0.208 -12.158 1.00 0.00 C ATOM 999 CG2 VAL A 78 6.123 0.842 -12.862 1.00 0.00 C ATOM 0 H VAL A 78 9.442 2.188 -12.642 1.00 0.00 H new ATOM 0 HA VAL A 78 8.300 1.281 -15.255 1.00 0.00 H new ATOM 0 HB VAL A 78 7.458 -0.437 -13.978 1.00 0.00 H new ATOM 0 HG11 VAL A 78 7.976 -0.590 -11.553 1.00 0.00 H new ATOM 0 HG12 VAL A 78 9.402 -0.085 -12.490 1.00 0.00 H new ATOM 0 HG13 VAL A 78 8.475 1.118 -11.562 1.00 0.00 H new ATOM 0 HG21 VAL A 78 5.715 0.029 -12.261 1.00 0.00 H new ATOM 0 HG22 VAL A 78 6.186 1.745 -12.255 1.00 0.00 H new ATOM 0 HG23 VAL A 78 5.472 1.024 -13.717 1.00 0.00 H new ATOM 1009 N ASP A 79 6.466 2.878 -15.315 1.00 0.00 N ATOM 1010 CA ASP A 79 5.492 3.972 -15.452 1.00 0.00 C ATOM 1011 C ASP A 79 4.142 3.421 -15.063 1.00 0.00 C ATOM 1012 O ASP A 79 3.965 2.220 -15.054 1.00 0.00 O ATOM 1013 CB ASP A 79 5.457 4.423 -16.922 1.00 0.00 C ATOM 1014 CG ASP A 79 4.743 5.774 -17.021 1.00 0.00 C ATOM 1015 OD1 ASP A 79 4.941 6.559 -16.109 1.00 0.00 O ATOM 1016 OD2 ASP A 79 4.041 5.944 -18.005 1.00 0.00 O ATOM 0 H ASP A 79 6.513 2.238 -16.108 1.00 0.00 H new ATOM 0 HA ASP A 79 5.758 4.821 -14.822 1.00 0.00 H new ATOM 0 HB2 ASP A 79 6.471 4.505 -17.313 1.00 0.00 H new ATOM 0 HB3 ASP A 79 4.940 3.680 -17.530 1.00 0.00 H new ATOM 1021 N PHE A 80 3.212 4.264 -14.736 1.00 0.00 N ATOM 1022 CA PHE A 80 1.891 3.719 -14.354 1.00 0.00 C ATOM 1023 C PHE A 80 1.449 2.636 -15.329 1.00 0.00 C ATOM 1024 O PHE A 80 0.577 1.842 -15.027 1.00 0.00 O ATOM 1025 CB PHE A 80 0.851 4.838 -14.349 1.00 0.00 C ATOM 1026 CG PHE A 80 -0.398 4.301 -13.663 1.00 0.00 C ATOM 1027 CD1 PHE A 80 -0.352 3.924 -12.333 1.00 0.00 C ATOM 1028 CD2 PHE A 80 -1.574 4.130 -14.369 1.00 0.00 C ATOM 1029 CE1 PHE A 80 -1.460 3.384 -11.722 1.00 0.00 C ATOM 1030 CE2 PHE A 80 -2.683 3.589 -13.755 1.00 0.00 C ATOM 1031 CZ PHE A 80 -2.626 3.217 -12.432 1.00 0.00 C ATOM 0 H PHE A 80 3.304 5.280 -14.716 1.00 0.00 H new ATOM 0 HA PHE A 80 1.978 3.285 -13.358 1.00 0.00 H new ATOM 0 HB2 PHE A 80 1.232 5.713 -13.822 1.00 0.00 H new ATOM 0 HB3 PHE A 80 0.623 5.154 -15.367 1.00 0.00 H new ATOM 0 HD1 PHE A 80 0.560 4.055 -11.770 1.00 0.00 H new ATOM 0 HD2 PHE A 80 -1.624 4.422 -15.408 1.00 0.00 H new ATOM 0 HE1 PHE A 80 -1.414 3.091 -10.684 1.00 0.00 H new ATOM 0 HE2 PHE A 80 -3.598 3.457 -14.313 1.00 0.00 H new ATOM 0 HZ PHE A 80 -3.496 2.794 -11.951 1.00 0.00 H new ATOM 1041 N ASP A 81 2.061 2.617 -16.482 1.00 0.00 N ATOM 1042 CA ASP A 81 1.688 1.594 -17.480 1.00 0.00 C ATOM 1043 C ASP A 81 2.330 0.261 -17.133 1.00 0.00 C ATOM 1044 O ASP A 81 1.661 -0.751 -17.084 1.00 0.00 O ATOM 1045 CB ASP A 81 2.187 2.047 -18.861 1.00 0.00 C ATOM 1046 CG ASP A 81 1.170 3.009 -19.480 1.00 0.00 C ATOM 1047 OD1 ASP A 81 0.969 4.049 -18.875 1.00 0.00 O ATOM 1048 OD2 ASP A 81 0.653 2.649 -20.526 1.00 0.00 O ATOM 0 H ASP A 81 2.797 3.263 -16.768 1.00 0.00 H new ATOM 0 HA ASP A 81 0.605 1.475 -17.486 1.00 0.00 H new ATOM 0 HB2 ASP A 81 3.156 2.537 -18.767 1.00 0.00 H new ATOM 0 HB3 ASP A 81 2.328 1.183 -19.510 1.00 0.00 H new ATOM 1053 N ASP A 82 3.621 0.273 -16.888 1.00 0.00 N ATOM 1054 CA ASP A 82 4.282 -0.994 -16.545 1.00 0.00 C ATOM 1055 C ASP A 82 3.788 -1.431 -15.184 1.00 0.00 C ATOM 1056 O ASP A 82 3.553 -2.596 -14.938 1.00 0.00 O ATOM 1057 CB ASP A 82 5.794 -0.755 -16.498 1.00 0.00 C ATOM 1058 CG ASP A 82 6.523 -2.087 -16.681 1.00 0.00 C ATOM 1059 OD1 ASP A 82 5.838 -3.093 -16.609 1.00 0.00 O ATOM 1060 OD2 ASP A 82 7.724 -2.024 -16.889 1.00 0.00 O ATOM 0 H ASP A 82 4.222 1.097 -16.914 1.00 0.00 H new ATOM 0 HA ASP A 82 4.059 -1.765 -17.282 1.00 0.00 H new ATOM 0 HB2 ASP A 82 6.088 -0.056 -17.281 1.00 0.00 H new ATOM 0 HB3 ASP A 82 6.073 -0.303 -15.546 1.00 0.00 H new ATOM 1065 N PHE A 83 3.630 -0.465 -14.324 1.00 0.00 N ATOM 1066 CA PHE A 83 3.148 -0.752 -12.963 1.00 0.00 C ATOM 1067 C PHE A 83 1.894 -1.600 -13.069 1.00 0.00 C ATOM 1068 O PHE A 83 1.750 -2.610 -12.400 1.00 0.00 O ATOM 1069 CB PHE A 83 2.818 0.613 -12.344 1.00 0.00 C ATOM 1070 CG PHE A 83 2.267 0.503 -10.922 1.00 0.00 C ATOM 1071 CD1 PHE A 83 3.096 0.177 -9.861 1.00 0.00 C ATOM 1072 CD2 PHE A 83 0.973 0.917 -10.653 1.00 0.00 C ATOM 1073 CE1 PHE A 83 2.638 0.285 -8.559 1.00 0.00 C ATOM 1074 CE2 PHE A 83 0.524 1.022 -9.355 1.00 0.00 C ATOM 1075 CZ PHE A 83 1.353 0.713 -8.311 1.00 0.00 C ATOM 0 H PHE A 83 3.819 0.519 -14.516 1.00 0.00 H new ATOM 0 HA PHE A 83 3.878 -1.290 -12.358 1.00 0.00 H new ATOM 0 HB2 PHE A 83 3.717 1.229 -12.333 1.00 0.00 H new ATOM 0 HB3 PHE A 83 2.089 1.125 -12.972 1.00 0.00 H new ATOM 0 HD1 PHE A 83 4.104 -0.163 -10.050 1.00 0.00 H new ATOM 0 HD2 PHE A 83 0.309 1.160 -11.469 1.00 0.00 H new ATOM 0 HE1 PHE A 83 3.290 0.033 -7.736 1.00 0.00 H new ATOM 0 HE2 PHE A 83 -0.487 1.350 -9.160 1.00 0.00 H new ATOM 0 HZ PHE A 83 1.000 0.805 -7.294 1.00 0.00 H new ATOM 1085 N VAL A 84 1.011 -1.173 -13.932 1.00 0.00 N ATOM 1086 CA VAL A 84 -0.243 -1.920 -14.122 1.00 0.00 C ATOM 1087 C VAL A 84 0.052 -3.217 -14.871 1.00 0.00 C ATOM 1088 O VAL A 84 -0.590 -4.231 -14.657 1.00 0.00 O ATOM 1089 CB VAL A 84 -1.189 -1.046 -14.973 1.00 0.00 C ATOM 1090 CG1 VAL A 84 -2.101 -1.938 -15.817 1.00 0.00 C ATOM 1091 CG2 VAL A 84 -2.045 -0.183 -14.049 1.00 0.00 C ATOM 0 H VAL A 84 1.114 -0.338 -14.509 1.00 0.00 H new ATOM 0 HA VAL A 84 -0.699 -2.156 -13.160 1.00 0.00 H new ATOM 0 HB VAL A 84 -0.597 -0.410 -15.631 1.00 0.00 H new ATOM 0 HG11 VAL A 84 -2.766 -1.316 -16.415 1.00 0.00 H new ATOM 0 HG12 VAL A 84 -1.494 -2.559 -16.476 1.00 0.00 H new ATOM 0 HG13 VAL A 84 -2.693 -2.576 -15.162 1.00 0.00 H new ATOM 0 HG21 VAL A 84 -2.715 0.436 -14.646 1.00 0.00 H new ATOM 0 HG22 VAL A 84 -2.633 -0.825 -13.393 1.00 0.00 H new ATOM 0 HG23 VAL A 84 -1.399 0.457 -13.447 1.00 0.00 H new ATOM 1101 N GLU A 85 1.033 -3.155 -15.734 1.00 0.00 N ATOM 1102 CA GLU A 85 1.405 -4.356 -16.518 1.00 0.00 C ATOM 1103 C GLU A 85 2.158 -5.360 -15.656 1.00 0.00 C ATOM 1104 O GLU A 85 2.299 -6.508 -16.024 1.00 0.00 O ATOM 1105 CB GLU A 85 2.316 -3.916 -17.676 1.00 0.00 C ATOM 1106 CG GLU A 85 2.086 -4.839 -18.875 1.00 0.00 C ATOM 1107 CD GLU A 85 2.744 -6.193 -18.602 1.00 0.00 C ATOM 1108 OE1 GLU A 85 3.778 -6.171 -17.956 1.00 0.00 O ATOM 1109 OE2 GLU A 85 2.175 -7.172 -19.057 1.00 0.00 O ATOM 0 H GLU A 85 1.589 -2.322 -15.925 1.00 0.00 H new ATOM 0 HA GLU A 85 0.497 -4.831 -16.890 1.00 0.00 H new ATOM 0 HB2 GLU A 85 2.102 -2.883 -17.951 1.00 0.00 H new ATOM 0 HB3 GLU A 85 3.361 -3.954 -17.367 1.00 0.00 H new ATOM 0 HG2 GLU A 85 1.018 -4.969 -19.049 1.00 0.00 H new ATOM 0 HG3 GLU A 85 2.504 -4.393 -19.778 1.00 0.00 H new ATOM 1116 N LEU A 86 2.641 -4.908 -14.522 1.00 0.00 N ATOM 1117 CA LEU A 86 3.384 -5.832 -13.631 1.00 0.00 C ATOM 1118 C LEU A 86 2.448 -6.418 -12.583 1.00 0.00 C ATOM 1119 O LEU A 86 2.738 -7.442 -11.993 1.00 0.00 O ATOM 1120 CB LEU A 86 4.507 -5.047 -12.914 1.00 0.00 C ATOM 1121 CG LEU A 86 5.669 -4.775 -13.890 1.00 0.00 C ATOM 1122 CD1 LEU A 86 6.856 -4.209 -13.105 1.00 0.00 C ATOM 1123 CD2 LEU A 86 6.100 -6.081 -14.568 1.00 0.00 C ATOM 0 H LEU A 86 2.550 -3.950 -14.185 1.00 0.00 H new ATOM 0 HA LEU A 86 3.806 -6.640 -14.228 1.00 0.00 H new ATOM 0 HB2 LEU A 86 4.115 -4.105 -12.531 1.00 0.00 H new ATOM 0 HB3 LEU A 86 4.868 -5.615 -12.056 1.00 0.00 H new ATOM 0 HG LEU A 86 5.343 -4.064 -14.649 1.00 0.00 H new ATOM 0 HD11 LEU A 86 7.683 -4.013 -13.787 1.00 0.00 H new ATOM 0 HD12 LEU A 86 6.560 -3.280 -12.618 1.00 0.00 H new ATOM 0 HD13 LEU A 86 7.171 -4.930 -12.351 1.00 0.00 H new ATOM 0 HD21 LEU A 86 6.921 -5.880 -15.256 1.00 0.00 H new ATOM 0 HD22 LEU A 86 6.427 -6.793 -13.811 1.00 0.00 H new ATOM 0 HD23 LEU A 86 5.258 -6.499 -15.120 1.00 0.00 H new ATOM 1135 N MET A 87 1.342 -5.750 -12.363 1.00 0.00 N ATOM 1136 CA MET A 87 0.366 -6.250 -11.355 1.00 0.00 C ATOM 1137 C MET A 87 -0.767 -7.029 -12.032 1.00 0.00 C ATOM 1138 O MET A 87 -1.553 -7.685 -11.377 1.00 0.00 O ATOM 1139 CB MET A 87 -0.231 -5.037 -10.625 1.00 0.00 C ATOM 1140 CG MET A 87 -1.421 -5.494 -9.783 1.00 0.00 C ATOM 1141 SD MET A 87 -3.032 -5.583 -10.603 1.00 0.00 S ATOM 1142 CE MET A 87 -4.011 -4.929 -9.232 1.00 0.00 C ATOM 0 H MET A 87 1.077 -4.886 -12.836 1.00 0.00 H new ATOM 0 HA MET A 87 0.877 -6.917 -10.660 1.00 0.00 H new ATOM 0 HB2 MET A 87 0.523 -4.573 -9.989 1.00 0.00 H new ATOM 0 HB3 MET A 87 -0.548 -4.283 -11.346 1.00 0.00 H new ATOM 0 HG2 MET A 87 -1.191 -6.481 -9.382 1.00 0.00 H new ATOM 0 HG3 MET A 87 -1.512 -4.818 -8.933 1.00 0.00 H new ATOM 0 HE1 MET A 87 -5.071 -4.993 -9.479 1.00 0.00 H new ATOM 0 HE2 MET A 87 -3.812 -5.512 -8.333 1.00 0.00 H new ATOM 0 HE3 MET A 87 -3.741 -3.888 -9.057 1.00 0.00 H new ATOM 1152 N GLY A 88 -0.819 -6.946 -13.336 1.00 0.00 N ATOM 1153 CA GLY A 88 -1.885 -7.667 -14.084 1.00 0.00 C ATOM 1154 C GLY A 88 -1.583 -9.181 -14.247 1.00 0.00 C ATOM 1155 O GLY A 88 -2.489 -9.985 -14.305 1.00 0.00 O ATOM 0 H GLY A 88 -0.170 -6.411 -13.912 1.00 0.00 H new ATOM 0 HA2 GLY A 88 -2.835 -7.544 -13.564 1.00 0.00 H new ATOM 0 HA3 GLY A 88 -2.001 -7.216 -15.069 1.00 0.00 H new ATOM 1159 N PRO A 89 -0.309 -9.539 -14.327 1.00 0.00 N ATOM 1160 CA PRO A 89 0.077 -10.941 -14.486 1.00 0.00 C ATOM 1161 C PRO A 89 -0.253 -11.772 -13.244 1.00 0.00 C ATOM 1162 O PRO A 89 -1.188 -12.549 -13.249 1.00 0.00 O ATOM 1163 CB PRO A 89 1.607 -10.907 -14.703 1.00 0.00 C ATOM 1164 CG PRO A 89 2.044 -9.411 -14.678 1.00 0.00 C ATOM 1165 CD PRO A 89 0.806 -8.587 -14.288 1.00 0.00 C ATOM 0 HA PRO A 89 -0.463 -11.404 -15.312 1.00 0.00 H new ATOM 0 HB2 PRO A 89 2.119 -11.470 -13.923 1.00 0.00 H new ATOM 0 HB3 PRO A 89 1.871 -11.369 -15.654 1.00 0.00 H new ATOM 0 HG2 PRO A 89 2.851 -9.257 -13.962 1.00 0.00 H new ATOM 0 HG3 PRO A 89 2.421 -9.103 -15.653 1.00 0.00 H new ATOM 0 HD2 PRO A 89 0.918 -8.151 -13.295 1.00 0.00 H new ATOM 0 HD3 PRO A 89 0.646 -7.762 -14.982 1.00 0.00 H new ATOM 1173 N LYS A 90 0.520 -11.593 -12.204 1.00 0.00 N ATOM 1174 CA LYS A 90 0.262 -12.369 -10.959 1.00 0.00 C ATOM 1175 C LYS A 90 -0.588 -11.575 -9.974 1.00 0.00 C ATOM 1176 O LYS A 90 -0.282 -10.442 -9.658 1.00 0.00 O ATOM 1177 CB LYS A 90 1.614 -12.682 -10.296 1.00 0.00 C ATOM 1178 CG LYS A 90 2.080 -14.074 -10.731 1.00 0.00 C ATOM 1179 CD LYS A 90 3.531 -14.282 -10.285 1.00 0.00 C ATOM 1180 CE LYS A 90 3.581 -14.385 -8.758 1.00 0.00 C ATOM 1181 NZ LYS A 90 4.056 -13.103 -8.165 1.00 0.00 N ATOM 0 H LYS A 90 1.310 -10.949 -12.164 1.00 0.00 H new ATOM 0 HA LYS A 90 -0.276 -13.280 -11.221 1.00 0.00 H new ATOM 0 HB2 LYS A 90 2.353 -11.933 -10.580 1.00 0.00 H new ATOM 0 HB3 LYS A 90 1.518 -12.640 -9.211 1.00 0.00 H new ATOM 0 HG2 LYS A 90 1.439 -14.839 -10.292 1.00 0.00 H new ATOM 0 HG3 LYS A 90 2.002 -14.175 -11.813 1.00 0.00 H new ATOM 0 HD2 LYS A 90 3.936 -15.188 -10.736 1.00 0.00 H new ATOM 0 HD3 LYS A 90 4.151 -13.453 -10.626 1.00 0.00 H new ATOM 0 HE2 LYS A 90 2.591 -14.627 -8.371 1.00 0.00 H new ATOM 0 HE3 LYS A 90 4.246 -15.197 -8.464 1.00 0.00 H new ATOM 0 HZ1 LYS A 90 3.848 -13.094 -7.146 1.00 0.00 H new ATOM 0 HZ2 LYS A 90 5.082 -13.013 -8.309 1.00 0.00 H new ATOM 0 HZ3 LYS A 90 3.570 -12.307 -8.625 1.00 0.00 H new ATOM 1195 N LEU A 91 -1.643 -12.190 -9.506 1.00 0.00 N ATOM 1196 CA LEU A 91 -2.533 -11.496 -8.540 1.00 0.00 C ATOM 1197 C LEU A 91 -3.054 -12.473 -7.493 1.00 0.00 C ATOM 1198 O LEU A 91 -2.561 -13.571 -7.331 1.00 0.00 O ATOM 1199 CB LEU A 91 -3.730 -10.911 -9.306 1.00 0.00 C ATOM 1200 CG LEU A 91 -3.235 -9.803 -10.240 1.00 0.00 C ATOM 1201 CD1 LEU A 91 -2.873 -10.411 -11.593 1.00 0.00 C ATOM 1202 CD2 LEU A 91 -4.346 -8.771 -10.436 1.00 0.00 C ATOM 0 H LEU A 91 -1.923 -13.139 -9.752 1.00 0.00 H new ATOM 0 HA LEU A 91 -1.969 -10.709 -8.040 1.00 0.00 H new ATOM 0 HB2 LEU A 91 -4.227 -11.693 -9.880 1.00 0.00 H new ATOM 0 HB3 LEU A 91 -4.465 -10.513 -8.607 1.00 0.00 H new ATOM 0 HG LEU A 91 -2.359 -9.322 -9.804 1.00 0.00 H new ATOM 0 HD11 LEU A 91 -2.520 -9.626 -12.262 1.00 0.00 H new ATOM 0 HD12 LEU A 91 -2.087 -11.154 -11.459 1.00 0.00 H new ATOM 0 HD13 LEU A 91 -3.753 -10.887 -12.025 1.00 0.00 H new ATOM 0 HD21 LEU A 91 -3.996 -7.981 -11.101 1.00 0.00 H new ATOM 0 HD22 LEU A 91 -5.218 -9.255 -10.875 1.00 0.00 H new ATOM 0 HD23 LEU A 91 -4.617 -8.340 -9.472 1.00 0.00 H new