USER MOD reduce.3.24.130724 H: found=0, std=0, add=690, rem=0, adj=11 USER MOD reduce.3.24.130724 removed 690 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 Single : A 10 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 11 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 17 ASN : amide:sc= -2.23 K(o=-2.2,f=-4.3!) USER MOD Single : A 18 THR OG1 : rot 98:sc= -0.41 USER MOD Single : A 20 TYR OH : rot 180:sc= -3.35! USER MOD Single : A 22 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 27 SER OG : rot 180:sc= 0 USER MOD Single : A 31 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 34 TYR OH : rot -177:sc= -0.284 USER MOD Single : A 35 SER OG : rot 180:sc= 0.0779 USER MOD Single : A 36 LYS NZ :NH3+ 171:sc= 1.16 (180deg=1.03) USER MOD Single : A 39 MET CE :methyl -165:sc=-0.00884 (180deg=-0.284) USER MOD Single : A 40 HIS : no HD1:sc= -5.56! C(o=-5.6!,f=-5.1!) USER MOD Single : A 54 SER OG : rot 180:sc= 0 USER MOD Single : A 59 ASN : amide:sc= -5.08! C(o=-5.1!,f=-11!) USER MOD Single : A 60 CYS SG : rot 180:sc= 0 USER MOD Single : A 65 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 68 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 73 SER OG : rot 180:sc= -0.511 USER MOD Single : A 74 ASN : amide:sc= -0.0585 X(o=-0.058,f=-0.05) USER MOD Single : A 75 SER OG : rot 180:sc= 0 USER MOD Single : A 77 GLN : amide:sc= -0.0143 X(o=-0.014,f=-0.16) USER MOD Single : A 81 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD ----------------------------------------------------------------- ATOM 59 N GLY A 7 5.648 9.324 -13.854 1.00 0.00 N ATOM 60 CA GLY A 7 6.781 8.432 -13.672 1.00 0.00 C ATOM 61 C GLY A 7 6.688 7.693 -12.335 1.00 0.00 C ATOM 62 O GLY A 7 7.490 6.804 -12.056 1.00 0.00 O ATOM 0 HA2 GLY A 7 6.815 7.711 -14.489 1.00 0.00 H new ATOM 0 HA3 GLY A 7 7.708 9.003 -13.712 1.00 0.00 H new ATOM 66 N LEU A 8 5.702 8.090 -11.544 1.00 0.00 N ATOM 67 CA LEU A 8 5.494 7.476 -10.243 1.00 0.00 C ATOM 68 C LEU A 8 5.210 5.984 -10.427 1.00 0.00 C ATOM 69 O LEU A 8 5.778 5.150 -9.724 1.00 0.00 O ATOM 70 CB LEU A 8 4.403 8.219 -9.469 1.00 0.00 C ATOM 71 CG LEU A 8 4.517 9.744 -9.445 1.00 0.00 C ATOM 72 CD1 LEU A 8 3.310 10.374 -8.746 1.00 0.00 C ATOM 73 CD2 LEU A 8 5.839 10.186 -8.815 1.00 0.00 C ATOM 0 H LEU A 8 5.039 8.829 -11.778 1.00 0.00 H new ATOM 0 HA LEU A 8 6.395 7.556 -9.635 1.00 0.00 H new ATOM 0 HB2 LEU A 8 3.437 7.954 -9.898 1.00 0.00 H new ATOM 0 HB3 LEU A 8 4.405 7.858 -8.440 1.00 0.00 H new ATOM 0 HG LEU A 8 4.516 10.102 -10.475 1.00 0.00 H new ATOM 0 HD11 LEU A 8 3.417 11.459 -8.743 1.00 0.00 H new ATOM 0 HD12 LEU A 8 2.398 10.100 -9.277 1.00 0.00 H new ATOM 0 HD13 LEU A 8 3.254 10.012 -7.719 1.00 0.00 H new ATOM 0 HD21 LEU A 8 5.894 11.275 -8.811 1.00 0.00 H new ATOM 0 HD22 LEU A 8 5.896 9.816 -7.791 1.00 0.00 H new ATOM 0 HD23 LEU A 8 6.670 9.783 -9.393 1.00 0.00 H new ATOM 85 N ARG A 9 4.332 5.694 -11.375 1.00 0.00 N ATOM 86 CA ARG A 9 3.966 4.317 -11.660 1.00 0.00 C ATOM 87 C ARG A 9 5.193 3.408 -11.551 1.00 0.00 C ATOM 88 O ARG A 9 5.206 2.470 -10.756 1.00 0.00 O ATOM 89 CB ARG A 9 3.366 4.185 -13.061 1.00 0.00 C ATOM 90 CG ARG A 9 2.121 5.062 -13.209 1.00 0.00 C ATOM 91 CD ARG A 9 1.169 4.491 -14.262 1.00 0.00 C ATOM 92 NE ARG A 9 1.358 5.196 -15.550 1.00 0.00 N ATOM 93 CZ ARG A 9 2.310 4.889 -16.442 1.00 0.00 C ATOM 94 NH1 ARG A 9 3.165 3.888 -16.191 1.00 0.00 N ATOM 95 NH2 ARG A 9 2.407 5.583 -17.584 1.00 0.00 N ATOM 0 H ARG A 9 3.863 6.389 -11.956 1.00 0.00 H new ATOM 0 HA ARG A 9 3.218 4.014 -10.927 1.00 0.00 H new ATOM 0 HB2 ARG A 9 4.108 4.471 -13.807 1.00 0.00 H new ATOM 0 HB3 ARG A 9 3.107 3.144 -13.253 1.00 0.00 H new ATOM 0 HG2 ARG A 9 1.607 5.135 -12.250 1.00 0.00 H new ATOM 0 HG3 ARG A 9 2.416 6.073 -13.490 1.00 0.00 H new ATOM 0 HD2 ARG A 9 1.354 3.425 -14.391 1.00 0.00 H new ATOM 0 HD3 ARG A 9 0.137 4.598 -13.927 1.00 0.00 H new ATOM 0 HE ARG A 9 0.724 5.963 -15.772 1.00 0.00 H new ATOM 0 HH11 ARG A 9 3.091 3.360 -15.321 1.00 0.00 H new ATOM 0 HH12 ARG A 9 3.890 3.654 -16.870 1.00 0.00 H new ATOM 0 HH21 ARG A 9 1.756 6.345 -17.775 1.00 0.00 H new ATOM 0 HH22 ARG A 9 3.132 5.349 -18.263 1.00 0.00 H new ATOM 109 N LYS A 10 6.194 3.719 -12.362 1.00 0.00 N ATOM 110 CA LYS A 10 7.422 2.942 -12.367 1.00 0.00 C ATOM 111 C LYS A 10 7.984 2.877 -10.946 1.00 0.00 C ATOM 112 O LYS A 10 8.357 1.805 -10.471 1.00 0.00 O ATOM 113 CB LYS A 10 8.407 3.505 -13.393 1.00 0.00 C ATOM 114 CG LYS A 10 7.863 3.357 -14.815 1.00 0.00 C ATOM 115 CD LYS A 10 7.909 1.897 -15.271 1.00 0.00 C ATOM 116 CE LYS A 10 9.104 1.649 -16.194 1.00 0.00 C ATOM 117 NZ LYS A 10 10.218 1.028 -15.444 1.00 0.00 N ATOM 0 H LYS A 10 6.180 4.498 -13.020 1.00 0.00 H new ATOM 0 HA LYS A 10 7.224 1.917 -12.679 1.00 0.00 H new ATOM 0 HB2 LYS A 10 8.597 4.557 -13.180 1.00 0.00 H new ATOM 0 HB3 LYS A 10 9.361 2.985 -13.309 1.00 0.00 H new ATOM 0 HG2 LYS A 10 6.837 3.722 -14.855 1.00 0.00 H new ATOM 0 HG3 LYS A 10 8.448 3.973 -15.498 1.00 0.00 H new ATOM 0 HD2 LYS A 10 7.974 1.243 -14.402 1.00 0.00 H new ATOM 0 HD3 LYS A 10 6.985 1.645 -15.791 1.00 0.00 H new ATOM 0 HE2 LYS A 10 8.806 1.000 -17.018 1.00 0.00 H new ATOM 0 HE3 LYS A 10 9.434 2.591 -16.633 1.00 0.00 H new ATOM 0 HZ1 LYS A 10 11.021 0.867 -16.085 1.00 0.00 H new ATOM 0 HZ2 LYS A 10 10.513 1.661 -14.673 1.00 0.00 H new ATOM 0 HZ3 LYS A 10 9.905 0.120 -15.046 1.00 0.00 H new ATOM 131 N GLN A 11 8.027 4.036 -10.306 1.00 0.00 N ATOM 132 CA GLN A 11 8.537 4.124 -8.949 1.00 0.00 C ATOM 133 C GLN A 11 7.728 3.219 -8.018 1.00 0.00 C ATOM 134 O GLN A 11 8.291 2.371 -7.327 1.00 0.00 O ATOM 135 CB GLN A 11 8.528 5.571 -8.452 1.00 0.00 C ATOM 136 CG GLN A 11 9.096 6.518 -9.510 1.00 0.00 C ATOM 137 CD GLN A 11 10.033 7.549 -8.877 1.00 0.00 C ATOM 138 OE1 GLN A 11 11.245 7.412 -8.886 1.00 0.00 O ATOM 139 NE2 GLN A 11 9.405 8.586 -8.329 1.00 0.00 N ATOM 0 H GLN A 11 7.717 4.923 -10.703 1.00 0.00 H new ATOM 0 HA GLN A 11 9.572 3.781 -8.948 1.00 0.00 H new ATOM 0 HB2 GLN A 11 7.509 5.867 -8.203 1.00 0.00 H new ATOM 0 HB3 GLN A 11 9.115 5.649 -7.537 1.00 0.00 H new ATOM 0 HG2 GLN A 11 9.636 5.945 -10.264 1.00 0.00 H new ATOM 0 HG3 GLN A 11 8.280 7.029 -10.022 1.00 0.00 H new ATOM 0 HE21 GLN A 11 8.387 8.638 -8.357 1.00 0.00 H new ATOM 0 HE22 GLN A 11 9.942 9.329 -7.881 1.00 0.00 H new ATOM 148 N VAL A 12 6.420 3.430 -8.030 1.00 0.00 N ATOM 149 CA VAL A 12 5.527 2.644 -7.195 1.00 0.00 C ATOM 150 C VAL A 12 5.826 1.157 -7.397 1.00 0.00 C ATOM 151 O VAL A 12 6.089 0.437 -6.435 1.00 0.00 O ATOM 152 CB VAL A 12 4.072 3.008 -7.497 1.00 0.00 C ATOM 153 CG1 VAL A 12 3.110 2.135 -6.689 1.00 0.00 C ATOM 154 CG2 VAL A 12 3.814 4.494 -7.237 1.00 0.00 C ATOM 0 H VAL A 12 5.957 4.134 -8.605 1.00 0.00 H new ATOM 0 HA VAL A 12 5.692 2.869 -6.141 1.00 0.00 H new ATOM 0 HB VAL A 12 3.891 2.816 -8.555 1.00 0.00 H new ATOM 0 HG11 VAL A 12 2.082 2.414 -6.922 1.00 0.00 H new ATOM 0 HG12 VAL A 12 3.268 1.087 -6.944 1.00 0.00 H new ATOM 0 HG13 VAL A 12 3.293 2.281 -5.624 1.00 0.00 H new ATOM 0 HG21 VAL A 12 2.773 4.727 -7.459 1.00 0.00 H new ATOM 0 HG22 VAL A 12 4.022 4.722 -6.191 1.00 0.00 H new ATOM 0 HG23 VAL A 12 4.464 5.093 -7.875 1.00 0.00 H new ATOM 164 N GLU A 13 5.774 0.741 -8.653 1.00 0.00 N ATOM 165 CA GLU A 13 6.036 -0.647 -8.994 1.00 0.00 C ATOM 166 C GLU A 13 7.241 -1.169 -8.208 1.00 0.00 C ATOM 167 O GLU A 13 7.156 -2.202 -7.547 1.00 0.00 O ATOM 168 CB GLU A 13 6.250 -0.812 -10.499 1.00 0.00 C ATOM 169 CG GLU A 13 5.002 -0.394 -11.280 1.00 0.00 C ATOM 170 CD GLU A 13 4.597 -1.472 -12.286 1.00 0.00 C ATOM 171 OE1 GLU A 13 5.237 -1.517 -13.359 1.00 0.00 O ATOM 172 OE2 GLU A 13 3.656 -2.228 -11.960 1.00 0.00 O ATOM 0 H GLU A 13 5.554 1.341 -9.448 1.00 0.00 H new ATOM 0 HA GLU A 13 5.163 -1.239 -8.718 1.00 0.00 H new ATOM 0 HB2 GLU A 13 7.101 -0.210 -10.817 1.00 0.00 H new ATOM 0 HB3 GLU A 13 6.493 -1.851 -10.724 1.00 0.00 H new ATOM 0 HG2 GLU A 13 4.180 -0.211 -10.588 1.00 0.00 H new ATOM 0 HG3 GLU A 13 5.193 0.543 -11.803 1.00 0.00 H new ATOM 179 N LEU A 14 8.336 -0.429 -8.307 1.00 0.00 N ATOM 180 CA LEU A 14 9.557 -0.803 -7.614 1.00 0.00 C ATOM 181 C LEU A 14 9.267 -0.943 -6.118 1.00 0.00 C ATOM 182 O LEU A 14 9.682 -1.916 -5.490 1.00 0.00 O ATOM 183 CB LEU A 14 10.679 0.187 -7.932 1.00 0.00 C ATOM 184 CG LEU A 14 12.057 -0.155 -7.363 1.00 0.00 C ATOM 185 CD1 LEU A 14 12.509 -1.545 -7.817 1.00 0.00 C ATOM 186 CD2 LEU A 14 13.081 0.925 -7.718 1.00 0.00 C ATOM 0 H LEU A 14 8.403 0.428 -8.857 1.00 0.00 H new ATOM 0 HA LEU A 14 9.911 -1.773 -7.963 1.00 0.00 H new ATOM 0 HB2 LEU A 14 10.766 0.271 -9.015 1.00 0.00 H new ATOM 0 HB3 LEU A 14 10.387 1.169 -7.558 1.00 0.00 H new ATOM 0 HG LEU A 14 11.980 -0.181 -6.276 1.00 0.00 H new ATOM 0 HD11 LEU A 14 13.492 -1.763 -7.398 1.00 0.00 H new ATOM 0 HD12 LEU A 14 11.794 -2.291 -7.471 1.00 0.00 H new ATOM 0 HD13 LEU A 14 12.564 -1.572 -8.905 1.00 0.00 H new ATOM 0 HD21 LEU A 14 14.052 0.657 -7.301 1.00 0.00 H new ATOM 0 HD22 LEU A 14 13.162 1.008 -8.802 1.00 0.00 H new ATOM 0 HD23 LEU A 14 12.760 1.881 -7.304 1.00 0.00 H new ATOM 198 N LEU A 15 8.556 0.043 -5.591 1.00 0.00 N ATOM 199 CA LEU A 15 8.206 0.042 -4.180 1.00 0.00 C ATOM 200 C LEU A 15 7.441 -1.241 -3.850 1.00 0.00 C ATOM 201 O LEU A 15 7.951 -2.106 -3.140 1.00 0.00 O ATOM 202 CB LEU A 15 7.449 1.321 -3.816 1.00 0.00 C ATOM 203 CG LEU A 15 6.785 1.337 -2.437 1.00 0.00 C ATOM 204 CD1 LEU A 15 7.830 1.229 -1.325 1.00 0.00 C ATOM 205 CD2 LEU A 15 5.897 2.571 -2.271 1.00 0.00 C ATOM 0 H LEU A 15 8.213 0.848 -6.115 1.00 0.00 H new ATOM 0 HA LEU A 15 9.105 0.045 -3.564 1.00 0.00 H new ATOM 0 HB2 LEU A 15 8.143 2.159 -3.873 1.00 0.00 H new ATOM 0 HB3 LEU A 15 6.680 1.492 -4.570 1.00 0.00 H new ATOM 0 HG LEU A 15 6.139 0.463 -2.358 1.00 0.00 H new ATOM 0 HD11 LEU A 15 7.332 1.243 -0.355 1.00 0.00 H new ATOM 0 HD12 LEU A 15 8.384 0.297 -1.435 1.00 0.00 H new ATOM 0 HD13 LEU A 15 8.520 2.071 -1.391 1.00 0.00 H new ATOM 0 HD21 LEU A 15 5.437 2.558 -1.283 1.00 0.00 H new ATOM 0 HD22 LEU A 15 6.502 3.472 -2.378 1.00 0.00 H new ATOM 0 HD23 LEU A 15 5.118 2.564 -3.034 1.00 0.00 H new ATOM 217 N PHE A 16 6.230 -1.324 -4.381 1.00 0.00 N ATOM 218 CA PHE A 16 5.390 -2.487 -4.152 1.00 0.00 C ATOM 219 C PHE A 16 6.185 -3.781 -4.334 1.00 0.00 C ATOM 220 O PHE A 16 6.217 -4.625 -3.440 1.00 0.00 O ATOM 221 CB PHE A 16 4.268 -2.440 -5.191 1.00 0.00 C ATOM 222 CG PHE A 16 3.220 -1.358 -4.927 1.00 0.00 C ATOM 223 CD1 PHE A 16 3.415 -0.451 -3.932 1.00 0.00 C ATOM 224 CD2 PHE A 16 2.094 -1.302 -5.687 1.00 0.00 C ATOM 225 CE1 PHE A 16 2.442 0.554 -3.687 1.00 0.00 C ATOM 226 CE2 PHE A 16 1.121 -0.297 -5.442 1.00 0.00 C ATOM 227 CZ PHE A 16 1.315 0.610 -4.447 1.00 0.00 C ATOM 0 H PHE A 16 5.810 -0.604 -4.969 1.00 0.00 H new ATOM 0 HA PHE A 16 5.002 -2.471 -3.134 1.00 0.00 H new ATOM 0 HB2 PHE A 16 4.705 -2.275 -6.176 1.00 0.00 H new ATOM 0 HB3 PHE A 16 3.773 -3.411 -5.221 1.00 0.00 H new ATOM 0 HD1 PHE A 16 4.310 -0.495 -3.329 1.00 0.00 H new ATOM 0 HD2 PHE A 16 1.940 -2.022 -6.477 1.00 0.00 H new ATOM 0 HE1 PHE A 16 2.597 1.274 -2.897 1.00 0.00 H new ATOM 0 HE2 PHE A 16 0.227 -0.253 -6.046 1.00 0.00 H new ATOM 0 HZ PHE A 16 0.575 1.374 -4.260 1.00 0.00 H new ATOM 237 N ASN A 17 6.806 -3.898 -5.499 1.00 0.00 N ATOM 238 CA ASN A 17 7.598 -5.076 -5.810 1.00 0.00 C ATOM 239 C ASN A 17 8.682 -5.252 -4.744 1.00 0.00 C ATOM 240 O ASN A 17 8.718 -6.269 -4.053 1.00 0.00 O ATOM 241 CB ASN A 17 8.289 -4.932 -7.167 1.00 0.00 C ATOM 242 CG ASN A 17 7.273 -4.994 -8.309 1.00 0.00 C ATOM 243 OD1 ASN A 17 6.212 -4.394 -8.264 1.00 0.00 O ATOM 244 ND2 ASN A 17 7.655 -5.752 -9.333 1.00 0.00 N ATOM 0 H ASN A 17 6.777 -3.196 -6.239 1.00 0.00 H new ATOM 0 HA ASN A 17 6.928 -5.936 -5.835 1.00 0.00 H new ATOM 0 HB2 ASN A 17 8.828 -3.985 -7.206 1.00 0.00 H new ATOM 0 HB3 ASN A 17 9.027 -5.724 -7.289 1.00 0.00 H new ATOM 0 HD21 ASN A 17 7.046 -5.858 -10.144 1.00 0.00 H new ATOM 0 HD22 ASN A 17 8.557 -6.227 -9.307 1.00 0.00 H new ATOM 251 N THR A 18 9.538 -4.246 -4.644 1.00 0.00 N ATOM 252 CA THR A 18 10.620 -4.278 -3.675 1.00 0.00 C ATOM 253 C THR A 18 10.109 -4.776 -2.322 1.00 0.00 C ATOM 254 O THR A 18 10.705 -5.668 -1.719 1.00 0.00 O ATOM 255 CB THR A 18 11.240 -2.880 -3.612 1.00 0.00 C ATOM 256 OG1 THR A 18 11.861 -2.719 -4.885 1.00 0.00 O ATOM 257 CG2 THR A 18 12.400 -2.798 -2.618 1.00 0.00 C ATOM 0 H THR A 18 9.504 -3.404 -5.218 1.00 0.00 H new ATOM 0 HA THR A 18 11.397 -4.981 -3.973 1.00 0.00 H new ATOM 0 HB THR A 18 10.474 -2.155 -3.336 1.00 0.00 H new ATOM 0 HG1 THR A 18 11.266 -2.214 -5.478 1.00 0.00 H new ATOM 0 HG21 THR A 18 12.804 -1.785 -2.613 1.00 0.00 H new ATOM 0 HG22 THR A 18 12.043 -3.052 -1.620 1.00 0.00 H new ATOM 0 HG23 THR A 18 13.182 -3.498 -2.912 1.00 0.00 H new ATOM 265 N ARG A 19 9.010 -4.180 -1.884 1.00 0.00 N ATOM 266 CA ARG A 19 8.411 -4.552 -0.613 1.00 0.00 C ATOM 267 C ARG A 19 8.089 -6.048 -0.596 1.00 0.00 C ATOM 268 O ARG A 19 8.444 -6.752 0.347 1.00 0.00 O ATOM 269 CB ARG A 19 7.129 -3.758 -0.354 1.00 0.00 C ATOM 270 CG ARG A 19 7.442 -2.286 -0.082 1.00 0.00 C ATOM 271 CD ARG A 19 8.063 -2.105 1.305 1.00 0.00 C ATOM 272 NE ARG A 19 9.002 -0.961 1.294 1.00 0.00 N ATOM 273 CZ ARG A 19 9.891 -0.708 2.264 1.00 0.00 C ATOM 274 NH1 ARG A 19 9.966 -1.517 3.330 1.00 0.00 N ATOM 275 NH2 ARG A 19 10.703 0.353 2.170 1.00 0.00 N ATOM 0 H ARG A 19 8.518 -3.441 -2.387 1.00 0.00 H new ATOM 0 HA ARG A 19 9.131 -4.323 0.173 1.00 0.00 H new ATOM 0 HB2 ARG A 19 6.466 -3.839 -1.215 1.00 0.00 H new ATOM 0 HB3 ARG A 19 6.599 -4.184 0.498 1.00 0.00 H new ATOM 0 HG2 ARG A 19 8.126 -1.909 -0.843 1.00 0.00 H new ATOM 0 HG3 ARG A 19 6.528 -1.697 -0.155 1.00 0.00 H new ATOM 0 HD2 ARG A 19 7.280 -1.936 2.044 1.00 0.00 H new ATOM 0 HD3 ARG A 19 8.588 -3.014 1.599 1.00 0.00 H new ATOM 0 HE ARG A 19 8.970 -0.325 0.497 1.00 0.00 H new ATOM 0 HH11 ARG A 19 9.347 -2.324 3.402 1.00 0.00 H new ATOM 0 HH12 ARG A 19 10.642 -1.325 4.069 1.00 0.00 H new ATOM 0 HH21 ARG A 19 10.645 0.969 1.359 1.00 0.00 H new ATOM 0 HH22 ARG A 19 11.379 0.545 2.909 1.00 0.00 H new ATOM 289 N TYR A 20 7.420 -6.488 -1.652 1.00 0.00 N ATOM 290 CA TYR A 20 7.046 -7.887 -1.770 1.00 0.00 C ATOM 291 C TYR A 20 8.246 -8.800 -1.507 1.00 0.00 C ATOM 292 O TYR A 20 8.139 -9.772 -0.760 1.00 0.00 O ATOM 293 CB TYR A 20 6.582 -8.079 -3.215 1.00 0.00 C ATOM 294 CG TYR A 20 5.824 -9.386 -3.457 1.00 0.00 C ATOM 295 CD1 TYR A 20 4.670 -9.655 -2.750 1.00 0.00 C ATOM 296 CD2 TYR A 20 6.294 -10.295 -4.383 1.00 0.00 C ATOM 297 CE1 TYR A 20 3.957 -10.885 -2.978 1.00 0.00 C ATOM 298 CE2 TYR A 20 5.581 -11.525 -4.611 1.00 0.00 C ATOM 299 CZ TYR A 20 4.447 -11.759 -3.897 1.00 0.00 C ATOM 300 OH TYR A 20 3.774 -12.921 -4.112 1.00 0.00 O ATOM 0 H TYR A 20 7.128 -5.901 -2.433 1.00 0.00 H new ATOM 0 HA TYR A 20 6.272 -8.140 -1.045 1.00 0.00 H new ATOM 0 HB2 TYR A 20 5.941 -7.242 -3.494 1.00 0.00 H new ATOM 0 HB3 TYR A 20 7.451 -8.048 -3.872 1.00 0.00 H new ATOM 0 HD1 TYR A 20 4.302 -8.943 -2.026 1.00 0.00 H new ATOM 0 HD2 TYR A 20 7.197 -10.084 -4.937 1.00 0.00 H new ATOM 0 HE1 TYR A 20 3.053 -11.108 -2.431 1.00 0.00 H new ATOM 0 HE2 TYR A 20 5.938 -12.245 -5.332 1.00 0.00 H new ATOM 0 HH TYR A 20 4.239 -13.447 -4.796 1.00 0.00 H new ATOM 310 N ALA A 21 9.360 -8.455 -2.135 1.00 0.00 N ATOM 311 CA ALA A 21 10.579 -9.231 -1.978 1.00 0.00 C ATOM 312 C ALA A 21 10.821 -9.496 -0.491 1.00 0.00 C ATOM 313 O ALA A 21 11.054 -10.635 -0.090 1.00 0.00 O ATOM 314 CB ALA A 21 11.744 -8.489 -2.636 1.00 0.00 C ATOM 0 H ALA A 21 9.445 -7.649 -2.754 1.00 0.00 H new ATOM 0 HA ALA A 21 10.486 -10.197 -2.474 1.00 0.00 H new ATOM 0 HB1 ALA A 21 12.658 -9.070 -2.519 1.00 0.00 H new ATOM 0 HB2 ALA A 21 11.535 -8.352 -3.697 1.00 0.00 H new ATOM 0 HB3 ALA A 21 11.870 -7.516 -2.162 1.00 0.00 H new ATOM 320 N LYS A 22 10.759 -8.424 0.286 1.00 0.00 N ATOM 321 CA LYS A 22 10.970 -8.527 1.720 1.00 0.00 C ATOM 322 C LYS A 22 9.943 -9.493 2.314 1.00 0.00 C ATOM 323 O LYS A 22 10.211 -10.150 3.319 1.00 0.00 O ATOM 324 CB LYS A 22 10.953 -7.140 2.365 1.00 0.00 C ATOM 325 CG LYS A 22 11.486 -7.195 3.798 1.00 0.00 C ATOM 326 CD LYS A 22 11.595 -5.791 4.397 1.00 0.00 C ATOM 327 CE LYS A 22 11.822 -5.855 5.908 1.00 0.00 C ATOM 328 NZ LYS A 22 10.949 -4.884 6.605 1.00 0.00 N ATOM 0 H LYS A 22 10.566 -7.481 -0.050 1.00 0.00 H new ATOM 0 HA LYS A 22 11.957 -8.940 1.931 1.00 0.00 H new ATOM 0 HB2 LYS A 22 11.559 -6.453 1.774 1.00 0.00 H new ATOM 0 HB3 LYS A 22 9.936 -6.748 2.366 1.00 0.00 H new ATOM 0 HG2 LYS A 22 10.825 -7.806 4.412 1.00 0.00 H new ATOM 0 HG3 LYS A 22 12.464 -7.675 3.808 1.00 0.00 H new ATOM 0 HD2 LYS A 22 12.417 -5.253 3.925 1.00 0.00 H new ATOM 0 HD3 LYS A 22 10.684 -5.230 4.186 1.00 0.00 H new ATOM 0 HE2 LYS A 22 11.617 -6.862 6.270 1.00 0.00 H new ATOM 0 HE3 LYS A 22 12.867 -5.641 6.134 1.00 0.00 H new ATOM 0 HZ1 LYS A 22 11.116 -4.941 7.630 1.00 0.00 H new ATOM 0 HZ2 LYS A 22 11.164 -3.923 6.272 1.00 0.00 H new ATOM 0 HZ3 LYS A 22 9.953 -5.106 6.404 1.00 0.00 H new ATOM 342 N ALA A 23 8.787 -9.550 1.668 1.00 0.00 N ATOM 343 CA ALA A 23 7.719 -10.424 2.119 1.00 0.00 C ATOM 344 C ALA A 23 8.076 -11.874 1.784 1.00 0.00 C ATOM 345 O ALA A 23 7.479 -12.805 2.322 1.00 0.00 O ATOM 346 CB ALA A 23 6.398 -9.987 1.483 1.00 0.00 C ATOM 0 H ALA A 23 8.567 -9.004 0.835 1.00 0.00 H new ATOM 0 HA ALA A 23 7.598 -10.356 3.200 1.00 0.00 H new ATOM 0 HB1 ALA A 23 5.596 -10.643 1.822 1.00 0.00 H new ATOM 0 HB2 ALA A 23 6.175 -8.961 1.776 1.00 0.00 H new ATOM 0 HB3 ALA A 23 6.480 -10.045 0.398 1.00 0.00 H new ATOM 352 N ILE A 24 9.048 -12.020 0.895 1.00 0.00 N ATOM 353 CA ILE A 24 9.492 -13.340 0.481 1.00 0.00 C ATOM 354 C ILE A 24 10.965 -13.519 0.856 1.00 0.00 C ATOM 355 O ILE A 24 11.563 -14.552 0.561 1.00 0.00 O ATOM 356 CB ILE A 24 9.205 -13.560 -1.005 1.00 0.00 C ATOM 357 CG1 ILE A 24 9.738 -12.398 -1.845 1.00 0.00 C ATOM 358 CG2 ILE A 24 7.713 -13.804 -1.245 1.00 0.00 C ATOM 359 CD1 ILE A 24 9.624 -12.705 -3.340 1.00 0.00 C ATOM 0 H ILE A 24 9.540 -11.246 0.450 1.00 0.00 H new ATOM 0 HA ILE A 24 8.932 -14.113 1.008 1.00 0.00 H new ATOM 0 HB ILE A 24 9.734 -14.458 -1.326 1.00 0.00 H new ATOM 0 HG12 ILE A 24 9.180 -11.491 -1.613 1.00 0.00 H new ATOM 0 HG13 ILE A 24 10.780 -12.206 -1.588 1.00 0.00 H new ATOM 0 HG21 ILE A 24 7.536 -13.957 -2.310 1.00 0.00 H new ATOM 0 HG22 ILE A 24 7.396 -14.689 -0.693 1.00 0.00 H new ATOM 0 HG23 ILE A 24 7.143 -12.940 -0.903 1.00 0.00 H new ATOM 0 HD11 ILE A 24 10.010 -11.863 -3.915 1.00 0.00 H new ATOM 0 HD12 ILE A 24 10.203 -13.599 -3.573 1.00 0.00 H new ATOM 0 HD13 ILE A 24 8.578 -12.872 -3.598 1.00 0.00 H new ATOM 371 N GLY A 25 11.507 -12.495 1.500 1.00 0.00 N ATOM 372 CA GLY A 25 12.898 -12.527 1.918 1.00 0.00 C ATOM 373 C GLY A 25 13.834 -12.339 0.722 1.00 0.00 C ATOM 374 O GLY A 25 14.950 -12.857 0.715 1.00 0.00 O ATOM 0 H GLY A 25 11.008 -11.639 1.742 1.00 0.00 H new ATOM 0 HA2 GLY A 25 13.079 -11.742 2.653 1.00 0.00 H new ATOM 0 HA3 GLY A 25 13.113 -13.477 2.407 1.00 0.00 H new ATOM 378 N ILE A 26 13.345 -11.597 -0.261 1.00 0.00 N ATOM 379 CA ILE A 26 14.124 -11.334 -1.459 1.00 0.00 C ATOM 380 C ILE A 26 14.683 -9.911 -1.397 1.00 0.00 C ATOM 381 O ILE A 26 14.016 -8.999 -0.910 1.00 0.00 O ATOM 382 CB ILE A 26 13.291 -11.614 -2.711 1.00 0.00 C ATOM 383 CG1 ILE A 26 13.056 -13.116 -2.889 1.00 0.00 C ATOM 384 CG2 ILE A 26 13.933 -10.984 -3.949 1.00 0.00 C ATOM 385 CD1 ILE A 26 12.911 -13.477 -4.369 1.00 0.00 C ATOM 0 H ILE A 26 12.419 -11.170 -0.252 1.00 0.00 H new ATOM 0 HA ILE A 26 14.978 -12.009 -1.515 1.00 0.00 H new ATOM 0 HB ILE A 26 12.314 -11.148 -2.582 1.00 0.00 H new ATOM 0 HG12 ILE A 26 13.887 -13.672 -2.455 1.00 0.00 H new ATOM 0 HG13 ILE A 26 12.157 -13.414 -2.349 1.00 0.00 H new ATOM 0 HG21 ILE A 26 13.321 -11.198 -4.825 1.00 0.00 H new ATOM 0 HG22 ILE A 26 14.006 -9.905 -3.812 1.00 0.00 H new ATOM 0 HG23 ILE A 26 14.930 -11.400 -4.093 1.00 0.00 H new ATOM 0 HD11 ILE A 26 12.745 -14.550 -4.467 1.00 0.00 H new ATOM 0 HD12 ILE A 26 12.064 -12.938 -4.794 1.00 0.00 H new ATOM 0 HD13 ILE A 26 13.821 -13.200 -4.902 1.00 0.00 H new ATOM 397 N SER A 27 15.901 -9.766 -1.898 1.00 0.00 N ATOM 398 CA SER A 27 16.556 -8.469 -1.907 1.00 0.00 C ATOM 399 C SER A 27 16.103 -7.661 -3.124 1.00 0.00 C ATOM 400 O SER A 27 15.939 -6.445 -3.040 1.00 0.00 O ATOM 401 CB SER A 27 18.079 -8.622 -1.908 1.00 0.00 C ATOM 402 OG SER A 27 18.739 -7.383 -2.155 1.00 0.00 O ATOM 0 H SER A 27 16.451 -10.525 -2.300 1.00 0.00 H new ATOM 0 HA SER A 27 16.271 -7.936 -1.000 1.00 0.00 H new ATOM 0 HB2 SER A 27 18.404 -9.021 -0.947 1.00 0.00 H new ATOM 0 HB3 SER A 27 18.370 -9.346 -2.669 1.00 0.00 H new ATOM 0 HG SER A 27 19.709 -7.522 -2.146 1.00 0.00 H new ATOM 408 N GLU A 28 15.913 -8.369 -4.227 1.00 0.00 N ATOM 409 CA GLU A 28 15.482 -7.733 -5.460 1.00 0.00 C ATOM 410 C GLU A 28 13.959 -7.585 -5.477 1.00 0.00 C ATOM 411 O GLU A 28 13.256 -8.283 -4.748 1.00 0.00 O ATOM 412 CB GLU A 28 15.970 -8.515 -6.681 1.00 0.00 C ATOM 413 CG GLU A 28 15.225 -9.845 -6.814 1.00 0.00 C ATOM 414 CD GLU A 28 15.287 -10.367 -8.251 1.00 0.00 C ATOM 415 OE1 GLU A 28 15.134 -9.529 -9.166 1.00 0.00 O ATOM 416 OE2 GLU A 28 15.486 -11.592 -8.402 1.00 0.00 O ATOM 0 H GLU A 28 16.050 -9.378 -4.293 1.00 0.00 H new ATOM 0 HA GLU A 28 15.925 -6.738 -5.506 1.00 0.00 H new ATOM 0 HB2 GLU A 28 15.822 -7.919 -7.582 1.00 0.00 H new ATOM 0 HB3 GLU A 28 17.041 -8.701 -6.594 1.00 0.00 H new ATOM 0 HG2 GLU A 28 15.661 -10.580 -6.137 1.00 0.00 H new ATOM 0 HG3 GLU A 28 14.185 -9.715 -6.515 1.00 0.00 H new ATOM 423 N PRO A 29 13.482 -6.648 -6.339 1.00 0.00 N ATOM 424 CA PRO A 29 12.055 -6.399 -6.460 1.00 0.00 C ATOM 425 C PRO A 29 11.368 -7.519 -7.244 1.00 0.00 C ATOM 426 O PRO A 29 11.867 -7.951 -8.282 1.00 0.00 O ATOM 427 CB PRO A 29 11.948 -5.045 -7.141 1.00 0.00 C ATOM 428 CG PRO A 29 13.299 -4.799 -7.793 1.00 0.00 C ATOM 429 CD PRO A 29 14.285 -5.802 -7.217 1.00 0.00 C ATOM 0 HA PRO A 29 11.547 -6.386 -5.496 1.00 0.00 H new ATOM 0 HB2 PRO A 29 11.150 -5.043 -7.883 1.00 0.00 H new ATOM 0 HB3 PRO A 29 11.714 -4.262 -6.419 1.00 0.00 H new ATOM 0 HG2 PRO A 29 13.227 -4.913 -8.875 1.00 0.00 H new ATOM 0 HG3 PRO A 29 13.635 -3.780 -7.601 1.00 0.00 H new ATOM 0 HD2 PRO A 29 14.760 -6.387 -8.004 1.00 0.00 H new ATOM 0 HD3 PRO A 29 15.082 -5.302 -6.666 1.00 0.00 H new ATOM 437 N VAL A 30 10.235 -7.958 -6.716 1.00 0.00 N ATOM 438 CA VAL A 30 9.475 -9.020 -7.354 1.00 0.00 C ATOM 439 C VAL A 30 8.063 -8.517 -7.660 1.00 0.00 C ATOM 440 O VAL A 30 7.645 -7.478 -7.149 1.00 0.00 O ATOM 441 CB VAL A 30 9.486 -10.272 -6.474 1.00 0.00 C ATOM 442 CG1 VAL A 30 8.494 -11.315 -6.993 1.00 0.00 C ATOM 443 CG2 VAL A 30 10.895 -10.858 -6.373 1.00 0.00 C ATOM 0 H VAL A 30 9.825 -7.598 -5.854 1.00 0.00 H new ATOM 0 HA VAL A 30 9.933 -9.301 -8.302 1.00 0.00 H new ATOM 0 HB VAL A 30 9.172 -9.980 -5.472 1.00 0.00 H new ATOM 0 HG11 VAL A 30 8.521 -12.195 -6.350 1.00 0.00 H new ATOM 0 HG12 VAL A 30 7.489 -10.894 -6.990 1.00 0.00 H new ATOM 0 HG13 VAL A 30 8.764 -11.600 -8.010 1.00 0.00 H new ATOM 0 HG21 VAL A 30 10.875 -11.747 -5.742 1.00 0.00 H new ATOM 0 HG22 VAL A 30 11.249 -11.127 -7.368 1.00 0.00 H new ATOM 0 HG23 VAL A 30 11.566 -10.118 -5.937 1.00 0.00 H new ATOM 453 N LYS A 31 7.366 -9.277 -8.492 1.00 0.00 N ATOM 454 CA LYS A 31 6.009 -8.921 -8.872 1.00 0.00 C ATOM 455 C LYS A 31 5.086 -9.080 -7.662 1.00 0.00 C ATOM 456 O LYS A 31 5.361 -9.880 -6.768 1.00 0.00 O ATOM 457 CB LYS A 31 5.566 -9.729 -10.093 1.00 0.00 C ATOM 458 CG LYS A 31 6.363 -9.326 -11.336 1.00 0.00 C ATOM 459 CD LYS A 31 5.780 -9.972 -12.594 1.00 0.00 C ATOM 460 CE LYS A 31 6.764 -10.974 -13.201 1.00 0.00 C ATOM 461 NZ LYS A 31 6.361 -11.324 -14.582 1.00 0.00 N ATOM 0 H LYS A 31 7.715 -10.138 -8.914 1.00 0.00 H new ATOM 0 HA LYS A 31 5.960 -7.875 -9.175 1.00 0.00 H new ATOM 0 HB2 LYS A 31 5.702 -10.793 -9.898 1.00 0.00 H new ATOM 0 HB3 LYS A 31 4.502 -9.571 -10.272 1.00 0.00 H new ATOM 0 HG2 LYS A 31 6.354 -8.241 -11.442 1.00 0.00 H new ATOM 0 HG3 LYS A 31 7.404 -9.626 -11.218 1.00 0.00 H new ATOM 0 HD2 LYS A 31 4.846 -10.477 -12.348 1.00 0.00 H new ATOM 0 HD3 LYS A 31 5.542 -9.201 -13.327 1.00 0.00 H new ATOM 0 HE2 LYS A 31 7.768 -10.550 -13.205 1.00 0.00 H new ATOM 0 HE3 LYS A 31 6.801 -11.874 -12.587 1.00 0.00 H new ATOM 0 HZ1 LYS A 31 7.039 -12.005 -14.980 1.00 0.00 H new ATOM 0 HZ2 LYS A 31 5.412 -11.748 -14.570 1.00 0.00 H new ATOM 0 HZ3 LYS A 31 6.349 -10.465 -15.168 1.00 0.00 H new ATOM 475 N VAL A 32 4.011 -8.306 -7.672 1.00 0.00 N ATOM 476 CA VAL A 32 3.047 -8.351 -6.586 1.00 0.00 C ATOM 477 C VAL A 32 1.720 -8.904 -7.111 1.00 0.00 C ATOM 478 O VAL A 32 1.086 -8.294 -7.970 1.00 0.00 O ATOM 479 CB VAL A 32 2.908 -6.965 -5.952 1.00 0.00 C ATOM 480 CG1 VAL A 32 1.547 -6.808 -5.270 1.00 0.00 C ATOM 481 CG2 VAL A 32 4.048 -6.695 -4.968 1.00 0.00 C ATOM 0 H VAL A 32 3.786 -7.644 -8.415 1.00 0.00 H new ATOM 0 HA VAL A 32 3.390 -9.021 -5.798 1.00 0.00 H new ATOM 0 HB VAL A 32 2.971 -6.224 -6.749 1.00 0.00 H new ATOM 0 HG11 VAL A 32 1.474 -5.814 -4.828 1.00 0.00 H new ATOM 0 HG12 VAL A 32 0.754 -6.936 -6.007 1.00 0.00 H new ATOM 0 HG13 VAL A 32 1.442 -7.561 -4.489 1.00 0.00 H new ATOM 0 HG21 VAL A 32 3.925 -5.704 -4.532 1.00 0.00 H new ATOM 0 HG22 VAL A 32 4.031 -7.444 -4.177 1.00 0.00 H new ATOM 0 HG23 VAL A 32 5.002 -6.744 -5.494 1.00 0.00 H new ATOM 491 N PRO A 33 1.330 -10.083 -6.557 1.00 0.00 N ATOM 492 CA PRO A 33 0.091 -10.725 -6.960 1.00 0.00 C ATOM 493 C PRO A 33 -1.120 -10.005 -6.362 1.00 0.00 C ATOM 494 O PRO A 33 -1.773 -10.524 -5.459 1.00 0.00 O ATOM 495 CB PRO A 33 0.220 -12.163 -6.484 1.00 0.00 C ATOM 496 CG PRO A 33 1.316 -12.157 -5.431 1.00 0.00 C ATOM 497 CD PRO A 33 2.056 -10.834 -5.536 1.00 0.00 C ATOM 0 HA PRO A 33 -0.070 -10.688 -8.037 1.00 0.00 H new ATOM 0 HB2 PRO A 33 -0.721 -12.522 -6.066 1.00 0.00 H new ATOM 0 HB3 PRO A 33 0.476 -12.826 -7.310 1.00 0.00 H new ATOM 0 HG2 PRO A 33 0.889 -12.278 -4.435 1.00 0.00 H new ATOM 0 HG3 PRO A 33 2.000 -12.991 -5.588 1.00 0.00 H new ATOM 0 HD2 PRO A 33 2.059 -10.305 -4.583 1.00 0.00 H new ATOM 0 HD3 PRO A 33 3.097 -10.984 -5.821 1.00 0.00 H new ATOM 505 N TYR A 34 -1.383 -8.819 -6.892 1.00 0.00 N ATOM 506 CA TYR A 34 -2.503 -8.021 -6.422 1.00 0.00 C ATOM 507 C TYR A 34 -3.712 -8.905 -6.110 1.00 0.00 C ATOM 508 O TYR A 34 -4.196 -8.925 -4.979 1.00 0.00 O ATOM 509 CB TYR A 34 -2.860 -7.077 -7.572 1.00 0.00 C ATOM 510 CG TYR A 34 -1.764 -6.063 -7.907 1.00 0.00 C ATOM 511 CD1 TYR A 34 -0.991 -5.524 -6.898 1.00 0.00 C ATOM 512 CD2 TYR A 34 -1.550 -5.686 -9.217 1.00 0.00 C ATOM 513 CE1 TYR A 34 0.040 -4.570 -7.213 1.00 0.00 C ATOM 514 CE2 TYR A 34 -0.519 -4.731 -9.532 1.00 0.00 C ATOM 515 CZ TYR A 34 0.225 -4.220 -8.515 1.00 0.00 C ATOM 516 OH TYR A 34 1.199 -3.318 -8.812 1.00 0.00 O ATOM 0 H TYR A 34 -0.840 -8.392 -7.642 1.00 0.00 H new ATOM 0 HA TYR A 34 -2.238 -7.487 -5.510 1.00 0.00 H new ATOM 0 HB2 TYR A 34 -3.077 -7.669 -8.461 1.00 0.00 H new ATOM 0 HB3 TYR A 34 -3.773 -6.539 -7.317 1.00 0.00 H new ATOM 0 HD1 TYR A 34 -1.160 -5.818 -5.873 1.00 0.00 H new ATOM 0 HD2 TYR A 34 -2.156 -6.107 -10.006 1.00 0.00 H new ATOM 0 HE1 TYR A 34 0.653 -4.142 -6.434 1.00 0.00 H new ATOM 0 HE2 TYR A 34 -0.341 -4.428 -10.553 1.00 0.00 H new ATOM 0 HH TYR A 34 1.186 -3.128 -9.773 1.00 0.00 H new ATOM 526 N SER A 35 -4.166 -9.615 -7.133 1.00 0.00 N ATOM 527 CA SER A 35 -5.310 -10.498 -6.982 1.00 0.00 C ATOM 528 C SER A 35 -5.225 -11.240 -5.647 1.00 0.00 C ATOM 529 O SER A 35 -6.149 -11.177 -4.838 1.00 0.00 O ATOM 530 CB SER A 35 -5.391 -11.496 -8.139 1.00 0.00 C ATOM 531 OG SER A 35 -4.857 -10.959 -9.346 1.00 0.00 O ATOM 0 H SER A 35 -3.762 -9.597 -8.069 1.00 0.00 H new ATOM 0 HA SER A 35 -6.215 -9.891 -6.996 1.00 0.00 H new ATOM 0 HB2 SER A 35 -4.847 -12.403 -7.874 1.00 0.00 H new ATOM 0 HB3 SER A 35 -6.431 -11.783 -8.298 1.00 0.00 H new ATOM 0 HG SER A 35 -4.926 -11.627 -10.060 1.00 0.00 H new ATOM 537 N LYS A 36 -4.108 -11.927 -5.457 1.00 0.00 N ATOM 538 CA LYS A 36 -3.891 -12.680 -4.234 1.00 0.00 C ATOM 539 C LYS A 36 -4.218 -11.795 -3.030 1.00 0.00 C ATOM 540 O LYS A 36 -4.842 -12.249 -2.072 1.00 0.00 O ATOM 541 CB LYS A 36 -2.474 -13.259 -4.205 1.00 0.00 C ATOM 542 CG LYS A 36 -2.245 -14.207 -5.383 1.00 0.00 C ATOM 543 CD LYS A 36 -3.016 -15.515 -5.192 1.00 0.00 C ATOM 544 CE LYS A 36 -3.002 -16.352 -6.473 1.00 0.00 C ATOM 545 NZ LYS A 36 -3.674 -17.652 -6.250 1.00 0.00 N ATOM 0 H LYS A 36 -3.343 -11.978 -6.130 1.00 0.00 H new ATOM 0 HA LYS A 36 -4.562 -13.538 -4.191 1.00 0.00 H new ATOM 0 HB2 LYS A 36 -1.746 -12.449 -4.239 1.00 0.00 H new ATOM 0 HB3 LYS A 36 -2.314 -13.792 -3.268 1.00 0.00 H new ATOM 0 HG2 LYS A 36 -2.562 -13.726 -6.308 1.00 0.00 H new ATOM 0 HG3 LYS A 36 -1.180 -14.419 -5.482 1.00 0.00 H new ATOM 0 HD2 LYS A 36 -2.574 -16.086 -4.375 1.00 0.00 H new ATOM 0 HD3 LYS A 36 -4.045 -15.296 -4.907 1.00 0.00 H new ATOM 0 HE2 LYS A 36 -3.503 -15.809 -7.274 1.00 0.00 H new ATOM 0 HE3 LYS A 36 -1.974 -16.518 -6.795 1.00 0.00 H new ATOM 0 HZ1 LYS A 36 -3.792 -18.142 -7.159 1.00 0.00 H new ATOM 0 HZ2 LYS A 36 -3.096 -18.237 -5.613 1.00 0.00 H new ATOM 0 HZ3 LYS A 36 -4.607 -17.491 -5.820 1.00 0.00 H new ATOM 559 N PHE A 37 -3.783 -10.546 -3.118 1.00 0.00 N ATOM 560 CA PHE A 37 -4.022 -9.593 -2.048 1.00 0.00 C ATOM 561 C PHE A 37 -5.447 -9.040 -2.115 1.00 0.00 C ATOM 562 O PHE A 37 -5.978 -8.561 -1.114 1.00 0.00 O ATOM 563 CB PHE A 37 -3.032 -8.443 -2.244 1.00 0.00 C ATOM 564 CG PHE A 37 -1.616 -8.752 -1.755 1.00 0.00 C ATOM 565 CD1 PHE A 37 -0.824 -9.605 -2.459 1.00 0.00 C ATOM 566 CD2 PHE A 37 -1.148 -8.173 -0.617 1.00 0.00 C ATOM 567 CE1 PHE A 37 0.490 -9.892 -2.006 1.00 0.00 C ATOM 568 CE2 PHE A 37 0.167 -8.459 -0.163 1.00 0.00 C ATOM 569 CZ PHE A 37 0.958 -9.313 -0.867 1.00 0.00 C ATOM 0 H PHE A 37 -3.266 -10.172 -3.914 1.00 0.00 H new ATOM 0 HA PHE A 37 -3.894 -10.079 -1.081 1.00 0.00 H new ATOM 0 HB2 PHE A 37 -2.992 -8.188 -3.303 1.00 0.00 H new ATOM 0 HB3 PHE A 37 -3.403 -7.564 -1.718 1.00 0.00 H new ATOM 0 HD1 PHE A 37 -1.195 -10.064 -3.363 1.00 0.00 H new ATOM 0 HD2 PHE A 37 -1.777 -7.495 -0.058 1.00 0.00 H new ATOM 0 HE1 PHE A 37 1.118 -10.570 -2.565 1.00 0.00 H new ATOM 0 HE2 PHE A 37 0.539 -7.999 0.741 1.00 0.00 H new ATOM 0 HZ PHE A 37 1.958 -9.532 -0.522 1.00 0.00 H new ATOM 579 N LEU A 38 -6.026 -9.126 -3.303 1.00 0.00 N ATOM 580 CA LEU A 38 -7.380 -8.640 -3.513 1.00 0.00 C ATOM 581 C LEU A 38 -8.376 -9.673 -2.982 1.00 0.00 C ATOM 582 O LEU A 38 -9.192 -9.365 -2.116 1.00 0.00 O ATOM 583 CB LEU A 38 -7.596 -8.277 -4.984 1.00 0.00 C ATOM 584 CG LEU A 38 -6.737 -7.132 -5.525 1.00 0.00 C ATOM 585 CD1 LEU A 38 -6.915 -6.981 -7.037 1.00 0.00 C ATOM 586 CD2 LEU A 38 -7.028 -5.828 -4.780 1.00 0.00 C ATOM 0 H LEU A 38 -5.583 -9.525 -4.131 1.00 0.00 H new ATOM 0 HA LEU A 38 -7.546 -7.720 -2.953 1.00 0.00 H new ATOM 0 HB2 LEU A 38 -7.406 -9.164 -5.588 1.00 0.00 H new ATOM 0 HB3 LEU A 38 -8.645 -8.015 -5.123 1.00 0.00 H new ATOM 0 HG LEU A 38 -5.690 -7.377 -5.347 1.00 0.00 H new ATOM 0 HD11 LEU A 38 -6.294 -6.161 -7.396 1.00 0.00 H new ATOM 0 HD12 LEU A 38 -6.618 -7.905 -7.532 1.00 0.00 H new ATOM 0 HD13 LEU A 38 -7.961 -6.769 -7.261 1.00 0.00 H new ATOM 0 HD21 LEU A 38 -6.404 -5.031 -5.184 1.00 0.00 H new ATOM 0 HD22 LEU A 38 -8.078 -5.565 -4.904 1.00 0.00 H new ATOM 0 HD23 LEU A 38 -6.809 -5.958 -3.720 1.00 0.00 H new ATOM 598 N MET A 39 -8.276 -10.878 -3.524 1.00 0.00 N ATOM 599 CA MET A 39 -9.158 -11.958 -3.115 1.00 0.00 C ATOM 600 C MET A 39 -8.868 -12.387 -1.676 1.00 0.00 C ATOM 601 O MET A 39 -9.729 -12.963 -1.011 1.00 0.00 O ATOM 602 CB MET A 39 -8.969 -13.153 -4.052 1.00 0.00 C ATOM 603 CG MET A 39 -9.167 -12.742 -5.512 1.00 0.00 C ATOM 604 SD MET A 39 -9.162 -14.187 -6.560 1.00 0.00 S ATOM 605 CE MET A 39 -7.426 -14.600 -6.509 1.00 0.00 C ATOM 0 H MET A 39 -7.598 -11.130 -4.243 1.00 0.00 H new ATOM 0 HA MET A 39 -10.187 -11.602 -3.168 1.00 0.00 H new ATOM 0 HB2 MET A 39 -7.970 -13.569 -3.920 1.00 0.00 H new ATOM 0 HB3 MET A 39 -9.678 -13.939 -3.792 1.00 0.00 H new ATOM 0 HG2 MET A 39 -10.110 -12.206 -5.623 1.00 0.00 H new ATOM 0 HG3 MET A 39 -8.374 -12.059 -5.817 1.00 0.00 H new ATOM 0 HE1 MET A 39 -7.196 -15.305 -7.308 1.00 0.00 H new ATOM 0 HE2 MET A 39 -6.833 -13.695 -6.642 1.00 0.00 H new ATOM 0 HE3 MET A 39 -7.188 -15.052 -5.546 1.00 0.00 H new ATOM 615 N HIS A 40 -7.654 -12.090 -1.236 1.00 0.00 N ATOM 616 CA HIS A 40 -7.241 -12.438 0.113 1.00 0.00 C ATOM 617 C HIS A 40 -6.636 -11.210 0.797 1.00 0.00 C ATOM 618 O HIS A 40 -5.432 -11.165 1.048 1.00 0.00 O ATOM 619 CB HIS A 40 -6.291 -13.637 0.098 1.00 0.00 C ATOM 620 CG HIS A 40 -6.706 -14.737 -0.849 1.00 0.00 C ATOM 621 ND1 HIS A 40 -7.549 -15.770 -0.476 1.00 0.00 N ATOM 622 CD2 HIS A 40 -6.386 -14.955 -2.157 1.00 0.00 C ATOM 623 CE1 HIS A 40 -7.721 -16.567 -1.520 1.00 0.00 C ATOM 624 NE2 HIS A 40 -6.999 -16.060 -2.561 1.00 0.00 N ATOM 0 H HIS A 40 -6.943 -11.612 -1.790 1.00 0.00 H new ATOM 0 HA HIS A 40 -8.110 -12.744 0.696 1.00 0.00 H new ATOM 0 HB2 HIS A 40 -5.293 -13.294 -0.175 1.00 0.00 H new ATOM 0 HB3 HIS A 40 -6.223 -14.046 1.106 1.00 0.00 H new ATOM 0 HD2 HIS A 40 -5.742 -14.333 -2.762 1.00 0.00 H new ATOM 0 HE1 HIS A 40 -8.326 -17.461 -1.543 1.00 0.00 H new ATOM 0 HE2 HIS A 40 -6.940 -16.464 -3.496 1.00 0.00 H new ATOM 632 N PRO A 41 -7.520 -10.219 1.086 1.00 0.00 N ATOM 633 CA PRO A 41 -7.086 -8.994 1.736 1.00 0.00 C ATOM 634 C PRO A 41 -6.811 -9.230 3.223 1.00 0.00 C ATOM 635 O PRO A 41 -6.117 -8.441 3.862 1.00 0.00 O ATOM 636 CB PRO A 41 -8.208 -7.999 1.491 1.00 0.00 C ATOM 637 CG PRO A 41 -9.426 -8.828 1.118 1.00 0.00 C ATOM 638 CD PRO A 41 -8.953 -10.238 0.804 1.00 0.00 C ATOM 0 HA PRO A 41 -6.144 -8.618 1.337 1.00 0.00 H new ATOM 0 HB2 PRO A 41 -8.401 -7.401 2.381 1.00 0.00 H new ATOM 0 HB3 PRO A 41 -7.948 -7.306 0.691 1.00 0.00 H new ATOM 0 HG2 PRO A 41 -10.145 -8.840 1.937 1.00 0.00 H new ATOM 0 HG3 PRO A 41 -9.933 -8.395 0.256 1.00 0.00 H new ATOM 0 HD2 PRO A 41 -9.468 -10.975 1.420 1.00 0.00 H new ATOM 0 HD3 PRO A 41 -9.149 -10.499 -0.236 1.00 0.00 H new ATOM 646 N GLU A 42 -7.369 -10.320 3.730 1.00 0.00 N ATOM 647 CA GLU A 42 -7.193 -10.669 5.129 1.00 0.00 C ATOM 648 C GLU A 42 -5.884 -11.438 5.323 1.00 0.00 C ATOM 649 O GLU A 42 -5.225 -11.299 6.352 1.00 0.00 O ATOM 650 CB GLU A 42 -8.384 -11.477 5.647 1.00 0.00 C ATOM 651 CG GLU A 42 -9.398 -10.570 6.349 1.00 0.00 C ATOM 652 CD GLU A 42 -9.758 -11.118 7.731 1.00 0.00 C ATOM 653 OE1 GLU A 42 -8.809 -11.396 8.496 1.00 0.00 O ATOM 654 OE2 GLU A 42 -10.974 -11.246 7.992 1.00 0.00 O ATOM 0 H GLU A 42 -7.943 -10.973 3.197 1.00 0.00 H new ATOM 0 HA GLU A 42 -7.141 -9.748 5.709 1.00 0.00 H new ATOM 0 HB2 GLU A 42 -8.866 -11.994 4.817 1.00 0.00 H new ATOM 0 HB3 GLU A 42 -8.035 -12.243 6.340 1.00 0.00 H new ATOM 0 HG2 GLU A 42 -8.986 -9.566 6.448 1.00 0.00 H new ATOM 0 HG3 GLU A 42 -10.299 -10.486 5.741 1.00 0.00 H new ATOM 661 N GLU A 43 -5.546 -12.231 4.317 1.00 0.00 N ATOM 662 CA GLU A 43 -4.328 -13.022 4.364 1.00 0.00 C ATOM 663 C GLU A 43 -3.143 -12.202 3.850 1.00 0.00 C ATOM 664 O GLU A 43 -2.136 -12.058 4.541 1.00 0.00 O ATOM 665 CB GLU A 43 -4.484 -14.318 3.567 1.00 0.00 C ATOM 666 CG GLU A 43 -5.422 -15.292 4.284 1.00 0.00 C ATOM 667 CD GLU A 43 -6.870 -14.798 4.231 1.00 0.00 C ATOM 668 OE1 GLU A 43 -7.463 -14.894 3.135 1.00 0.00 O ATOM 669 OE2 GLU A 43 -7.350 -14.335 5.288 1.00 0.00 O ATOM 0 H GLU A 43 -6.094 -12.343 3.464 1.00 0.00 H new ATOM 0 HA GLU A 43 -4.135 -13.294 5.402 1.00 0.00 H new ATOM 0 HB2 GLU A 43 -4.875 -14.094 2.575 1.00 0.00 H new ATOM 0 HB3 GLU A 43 -3.508 -14.783 3.427 1.00 0.00 H new ATOM 0 HG2 GLU A 43 -5.353 -16.277 3.821 1.00 0.00 H new ATOM 0 HG3 GLU A 43 -5.110 -15.405 5.322 1.00 0.00 H new ATOM 676 N LEU A 44 -3.302 -11.686 2.640 1.00 0.00 N ATOM 677 CA LEU A 44 -2.258 -10.884 2.025 1.00 0.00 C ATOM 678 C LEU A 44 -2.734 -9.435 1.910 1.00 0.00 C ATOM 679 O LEU A 44 -3.722 -9.154 1.232 1.00 0.00 O ATOM 680 CB LEU A 44 -1.827 -11.497 0.691 1.00 0.00 C ATOM 681 CG LEU A 44 -1.911 -13.022 0.595 1.00 0.00 C ATOM 682 CD1 LEU A 44 -1.908 -13.481 -0.864 1.00 0.00 C ATOM 683 CD2 LEU A 44 -0.797 -13.685 1.407 1.00 0.00 C ATOM 0 H LEU A 44 -4.138 -11.808 2.069 1.00 0.00 H new ATOM 0 HA LEU A 44 -1.365 -10.878 2.650 1.00 0.00 H new ATOM 0 HB2 LEU A 44 -2.444 -11.069 -0.099 1.00 0.00 H new ATOM 0 HB3 LEU A 44 -0.799 -11.196 0.491 1.00 0.00 H new ATOM 0 HG LEU A 44 -2.859 -13.339 1.030 1.00 0.00 H new ATOM 0 HD11 LEU A 44 -1.968 -14.569 -0.903 1.00 0.00 H new ATOM 0 HD12 LEU A 44 -2.765 -13.051 -1.382 1.00 0.00 H new ATOM 0 HD13 LEU A 44 -0.988 -13.151 -1.347 1.00 0.00 H new ATOM 0 HD21 LEU A 44 -0.880 -14.768 1.322 1.00 0.00 H new ATOM 0 HD22 LEU A 44 0.172 -13.364 1.025 1.00 0.00 H new ATOM 0 HD23 LEU A 44 -0.888 -13.396 2.454 1.00 0.00 H new ATOM 695 N PHE A 45 -2.011 -8.552 2.583 1.00 0.00 N ATOM 696 CA PHE A 45 -2.347 -7.139 2.565 1.00 0.00 C ATOM 697 C PHE A 45 -1.091 -6.274 2.693 1.00 0.00 C ATOM 698 O PHE A 45 0.020 -6.796 2.771 1.00 0.00 O ATOM 699 CB PHE A 45 -3.255 -6.880 3.768 1.00 0.00 C ATOM 700 CG PHE A 45 -2.650 -7.304 5.108 1.00 0.00 C ATOM 701 CD1 PHE A 45 -1.743 -6.503 5.728 1.00 0.00 C ATOM 702 CD2 PHE A 45 -3.018 -8.483 5.678 1.00 0.00 C ATOM 703 CE1 PHE A 45 -1.180 -6.897 6.971 1.00 0.00 C ATOM 704 CE2 PHE A 45 -2.455 -8.877 6.921 1.00 0.00 C ATOM 705 CZ PHE A 45 -1.548 -8.076 7.541 1.00 0.00 C ATOM 0 H PHE A 45 -1.193 -8.788 3.145 1.00 0.00 H new ATOM 0 HA PHE A 45 -2.835 -6.885 1.624 1.00 0.00 H new ATOM 0 HB2 PHE A 45 -3.493 -5.817 3.809 1.00 0.00 H new ATOM 0 HB3 PHE A 45 -4.195 -7.411 3.621 1.00 0.00 H new ATOM 0 HD1 PHE A 45 -1.451 -5.567 5.275 1.00 0.00 H new ATOM 0 HD2 PHE A 45 -3.738 -9.119 5.185 1.00 0.00 H new ATOM 0 HE1 PHE A 45 -0.460 -6.261 7.464 1.00 0.00 H new ATOM 0 HE2 PHE A 45 -2.747 -9.813 7.374 1.00 0.00 H new ATOM 0 HZ PHE A 45 -1.120 -8.376 8.486 1.00 0.00 H new ATOM 715 N VAL A 46 -1.310 -4.968 2.710 1.00 0.00 N ATOM 716 CA VAL A 46 -0.210 -4.026 2.828 1.00 0.00 C ATOM 717 C VAL A 46 -0.442 -3.127 4.043 1.00 0.00 C ATOM 718 O VAL A 46 -1.584 -2.831 4.393 1.00 0.00 O ATOM 719 CB VAL A 46 -0.052 -3.241 1.524 1.00 0.00 C ATOM 720 CG1 VAL A 46 0.897 -2.055 1.710 1.00 0.00 C ATOM 721 CG2 VAL A 46 0.423 -4.151 0.390 1.00 0.00 C ATOM 0 H VAL A 46 -2.233 -4.539 2.644 1.00 0.00 H new ATOM 0 HA VAL A 46 0.730 -4.554 2.990 1.00 0.00 H new ATOM 0 HB VAL A 46 -1.031 -2.847 1.249 1.00 0.00 H new ATOM 0 HG11 VAL A 46 0.992 -1.514 0.769 1.00 0.00 H new ATOM 0 HG12 VAL A 46 0.499 -1.387 2.474 1.00 0.00 H new ATOM 0 HG13 VAL A 46 1.877 -2.418 2.020 1.00 0.00 H new ATOM 0 HG21 VAL A 46 0.527 -3.568 -0.525 1.00 0.00 H new ATOM 0 HG22 VAL A 46 1.386 -4.588 0.653 1.00 0.00 H new ATOM 0 HG23 VAL A 46 -0.305 -4.946 0.233 1.00 0.00 H new ATOM 731 N VAL A 47 0.660 -2.716 4.654 1.00 0.00 N ATOM 732 CA VAL A 47 0.591 -1.857 5.824 1.00 0.00 C ATOM 733 C VAL A 47 1.596 -0.713 5.670 1.00 0.00 C ATOM 734 O VAL A 47 2.686 -0.908 5.135 1.00 0.00 O ATOM 735 CB VAL A 47 0.813 -2.681 7.093 1.00 0.00 C ATOM 736 CG1 VAL A 47 -0.455 -3.446 7.478 1.00 0.00 C ATOM 737 CG2 VAL A 47 1.999 -3.633 6.929 1.00 0.00 C ATOM 0 H VAL A 47 1.605 -2.962 4.361 1.00 0.00 H new ATOM 0 HA VAL A 47 -0.400 -1.411 5.913 1.00 0.00 H new ATOM 0 HB VAL A 47 1.048 -1.991 7.904 1.00 0.00 H new ATOM 0 HG11 VAL A 47 -0.270 -4.024 8.384 1.00 0.00 H new ATOM 0 HG12 VAL A 47 -1.266 -2.740 7.657 1.00 0.00 H new ATOM 0 HG13 VAL A 47 -0.733 -4.120 6.668 1.00 0.00 H new ATOM 0 HG21 VAL A 47 2.135 -4.207 7.846 1.00 0.00 H new ATOM 0 HG22 VAL A 47 1.807 -4.314 6.100 1.00 0.00 H new ATOM 0 HG23 VAL A 47 2.902 -3.058 6.724 1.00 0.00 H new ATOM 747 N GLY A 48 1.194 0.454 6.151 1.00 0.00 N ATOM 748 CA GLY A 48 2.045 1.629 6.074 1.00 0.00 C ATOM 749 C GLY A 48 1.529 2.613 5.022 1.00 0.00 C ATOM 750 O GLY A 48 1.954 3.766 4.983 1.00 0.00 O ATOM 0 H GLY A 48 0.290 0.611 6.596 1.00 0.00 H new ATOM 0 HA2 GLY A 48 2.083 2.119 7.047 1.00 0.00 H new ATOM 0 HA3 GLY A 48 3.064 1.329 5.828 1.00 0.00 H new ATOM 754 N LEU A 49 0.619 2.121 4.194 1.00 0.00 N ATOM 755 CA LEU A 49 0.040 2.942 3.145 1.00 0.00 C ATOM 756 C LEU A 49 -0.518 4.228 3.759 1.00 0.00 C ATOM 757 O LEU A 49 -0.848 4.263 4.943 1.00 0.00 O ATOM 758 CB LEU A 49 -0.994 2.143 2.348 1.00 0.00 C ATOM 759 CG LEU A 49 -0.435 1.208 1.274 1.00 0.00 C ATOM 760 CD1 LEU A 49 -1.518 0.261 0.754 1.00 0.00 C ATOM 761 CD2 LEU A 49 0.223 2.002 0.143 1.00 0.00 C ATOM 0 H LEU A 49 0.269 1.164 4.229 1.00 0.00 H new ATOM 0 HA LEU A 49 0.805 3.236 2.426 1.00 0.00 H new ATOM 0 HB2 LEU A 49 -1.583 1.550 3.047 1.00 0.00 H new ATOM 0 HB3 LEU A 49 -1.677 2.845 1.871 1.00 0.00 H new ATOM 0 HG LEU A 49 0.341 0.592 1.728 1.00 0.00 H new ATOM 0 HD11 LEU A 49 -1.094 -0.393 -0.008 1.00 0.00 H new ATOM 0 HD12 LEU A 49 -1.900 -0.342 1.578 1.00 0.00 H new ATOM 0 HD13 LEU A 49 -2.332 0.842 0.322 1.00 0.00 H new ATOM 0 HD21 LEU A 49 0.612 1.313 -0.607 1.00 0.00 H new ATOM 0 HD22 LEU A 49 -0.515 2.660 -0.317 1.00 0.00 H new ATOM 0 HD23 LEU A 49 1.041 2.599 0.546 1.00 0.00 H new ATOM 773 N PRO A 50 -0.607 5.282 2.903 1.00 0.00 N ATOM 774 CA PRO A 50 -1.119 6.566 3.349 1.00 0.00 C ATOM 775 C PRO A 50 -2.640 6.524 3.512 1.00 0.00 C ATOM 776 O PRO A 50 -3.250 5.461 3.409 1.00 0.00 O ATOM 777 CB PRO A 50 -0.662 7.560 2.293 1.00 0.00 C ATOM 778 CG PRO A 50 -0.315 6.733 1.066 1.00 0.00 C ATOM 779 CD PRO A 50 -0.226 5.277 1.494 1.00 0.00 C ATOM 0 HA PRO A 50 -0.744 6.849 4.333 1.00 0.00 H new ATOM 0 HB2 PRO A 50 -1.448 8.281 2.069 1.00 0.00 H new ATOM 0 HB3 PRO A 50 0.202 8.128 2.639 1.00 0.00 H new ATOM 0 HG2 PRO A 50 -1.075 6.858 0.294 1.00 0.00 H new ATOM 0 HG3 PRO A 50 0.632 7.064 0.638 1.00 0.00 H new ATOM 0 HD2 PRO A 50 -0.895 4.649 0.905 1.00 0.00 H new ATOM 0 HD3 PRO A 50 0.782 4.885 1.357 1.00 0.00 H new ATOM 787 N GLU A 51 -3.209 7.695 3.763 1.00 0.00 N ATOM 788 CA GLU A 51 -4.646 7.805 3.941 1.00 0.00 C ATOM 789 C GLU A 51 -5.343 7.906 2.583 1.00 0.00 C ATOM 790 O GLU A 51 -4.825 8.534 1.660 1.00 0.00 O ATOM 791 CB GLU A 51 -4.999 9.000 4.828 1.00 0.00 C ATOM 792 CG GLU A 51 -5.860 8.567 6.016 1.00 0.00 C ATOM 793 CD GLU A 51 -6.618 9.757 6.607 1.00 0.00 C ATOM 794 OE1 GLU A 51 -7.371 10.390 5.836 1.00 0.00 O ATOM 795 OE2 GLU A 51 -6.427 10.007 7.817 1.00 0.00 O ATOM 0 H GLU A 51 -2.700 8.575 3.847 1.00 0.00 H new ATOM 0 HA GLU A 51 -5.000 6.905 4.443 1.00 0.00 H new ATOM 0 HB2 GLU A 51 -4.085 9.471 5.190 1.00 0.00 H new ATOM 0 HB3 GLU A 51 -5.533 9.748 4.241 1.00 0.00 H new ATOM 0 HG2 GLU A 51 -6.568 7.803 5.697 1.00 0.00 H new ATOM 0 HG3 GLU A 51 -5.229 8.117 6.782 1.00 0.00 H new ATOM 802 N GLY A 52 -6.507 7.278 2.502 1.00 0.00 N ATOM 803 CA GLY A 52 -7.280 7.289 1.272 1.00 0.00 C ATOM 804 C GLY A 52 -6.533 6.567 0.149 1.00 0.00 C ATOM 805 O GLY A 52 -6.688 6.907 -1.023 1.00 0.00 O ATOM 0 H GLY A 52 -6.934 6.758 3.269 1.00 0.00 H new ATOM 0 HA2 GLY A 52 -8.244 6.809 1.440 1.00 0.00 H new ATOM 0 HA3 GLY A 52 -7.484 8.318 0.975 1.00 0.00 H new ATOM 809 N ILE A 53 -5.740 5.583 0.546 1.00 0.00 N ATOM 810 CA ILE A 53 -4.969 4.810 -0.413 1.00 0.00 C ATOM 811 C ILE A 53 -4.872 3.361 0.067 1.00 0.00 C ATOM 812 O ILE A 53 -4.755 3.106 1.265 1.00 0.00 O ATOM 813 CB ILE A 53 -3.609 5.467 -0.661 1.00 0.00 C ATOM 814 CG1 ILE A 53 -3.774 6.935 -1.060 1.00 0.00 C ATOM 815 CG2 ILE A 53 -2.800 4.680 -1.694 1.00 0.00 C ATOM 816 CD1 ILE A 53 -2.447 7.525 -1.542 1.00 0.00 C ATOM 0 H ILE A 53 -5.615 5.303 1.519 1.00 0.00 H new ATOM 0 HA ILE A 53 -5.471 4.794 -1.380 1.00 0.00 H new ATOM 0 HB ILE A 53 -3.045 5.448 0.272 1.00 0.00 H new ATOM 0 HG12 ILE A 53 -4.521 7.019 -1.849 1.00 0.00 H new ATOM 0 HG13 ILE A 53 -4.143 7.508 -0.209 1.00 0.00 H new ATOM 0 HG21 ILE A 53 -1.838 5.168 -1.852 1.00 0.00 H new ATOM 0 HG22 ILE A 53 -2.637 3.665 -1.332 1.00 0.00 H new ATOM 0 HG23 ILE A 53 -3.348 4.645 -2.636 1.00 0.00 H new ATOM 0 HD11 ILE A 53 -2.592 8.569 -1.819 1.00 0.00 H new ATOM 0 HD12 ILE A 53 -1.709 7.461 -0.743 1.00 0.00 H new ATOM 0 HD13 ILE A 53 -2.093 6.965 -2.408 1.00 0.00 H new ATOM 828 N SER A 54 -4.926 2.449 -0.893 1.00 0.00 N ATOM 829 CA SER A 54 -4.846 1.031 -0.583 1.00 0.00 C ATOM 830 C SER A 54 -3.893 0.336 -1.557 1.00 0.00 C ATOM 831 O SER A 54 -3.002 0.971 -2.120 1.00 0.00 O ATOM 832 CB SER A 54 -6.228 0.377 -0.636 1.00 0.00 C ATOM 833 OG SER A 54 -6.417 -0.559 0.422 1.00 0.00 O ATOM 0 H SER A 54 -5.024 2.664 -1.885 1.00 0.00 H new ATOM 0 HA SER A 54 -4.461 0.924 0.431 1.00 0.00 H new ATOM 0 HB2 SER A 54 -6.996 1.148 -0.579 1.00 0.00 H new ATOM 0 HB3 SER A 54 -6.353 -0.128 -1.594 1.00 0.00 H new ATOM 0 HG SER A 54 -7.312 -0.953 0.354 1.00 0.00 H new ATOM 839 N LEU A 55 -4.112 -0.960 -1.726 1.00 0.00 N ATOM 840 CA LEU A 55 -3.283 -1.749 -2.622 1.00 0.00 C ATOM 841 C LEU A 55 -4.025 -1.957 -3.944 1.00 0.00 C ATOM 842 O LEU A 55 -5.018 -2.681 -3.995 1.00 0.00 O ATOM 843 CB LEU A 55 -2.853 -3.052 -1.946 1.00 0.00 C ATOM 844 CG LEU A 55 -1.874 -3.925 -2.734 1.00 0.00 C ATOM 845 CD1 LEU A 55 -0.538 -3.207 -2.933 1.00 0.00 C ATOM 846 CD2 LEU A 55 -1.698 -5.290 -2.066 1.00 0.00 C ATOM 0 H LEU A 55 -4.852 -1.483 -1.258 1.00 0.00 H new ATOM 0 HA LEU A 55 -2.360 -1.218 -2.854 1.00 0.00 H new ATOM 0 HB2 LEU A 55 -2.399 -2.807 -0.986 1.00 0.00 H new ATOM 0 HB3 LEU A 55 -3.746 -3.641 -1.736 1.00 0.00 H new ATOM 0 HG LEU A 55 -2.294 -4.103 -3.724 1.00 0.00 H new ATOM 0 HD11 LEU A 55 0.140 -3.849 -3.496 1.00 0.00 H new ATOM 0 HD12 LEU A 55 -0.701 -2.281 -3.484 1.00 0.00 H new ATOM 0 HD13 LEU A 55 -0.099 -2.979 -1.962 1.00 0.00 H new ATOM 0 HD21 LEU A 55 -0.997 -5.891 -2.646 1.00 0.00 H new ATOM 0 HD22 LEU A 55 -1.310 -5.154 -1.056 1.00 0.00 H new ATOM 0 HD23 LEU A 55 -2.661 -5.799 -2.019 1.00 0.00 H new ATOM 858 N ARG A 56 -3.513 -1.311 -4.981 1.00 0.00 N ATOM 859 CA ARG A 56 -4.114 -1.416 -6.300 1.00 0.00 C ATOM 860 C ARG A 56 -3.102 -1.023 -7.377 1.00 0.00 C ATOM 861 O ARG A 56 -2.027 -0.511 -7.068 1.00 0.00 O ATOM 862 CB ARG A 56 -5.348 -0.519 -6.416 1.00 0.00 C ATOM 863 CG ARG A 56 -6.569 -1.178 -5.772 1.00 0.00 C ATOM 864 CD ARG A 56 -7.842 -0.861 -6.559 1.00 0.00 C ATOM 865 NE ARG A 56 -8.865 -1.900 -6.307 1.00 0.00 N ATOM 866 CZ ARG A 56 -9.642 -1.941 -5.216 1.00 0.00 C ATOM 867 NH1 ARG A 56 -9.517 -1.001 -4.269 1.00 0.00 N ATOM 868 NH2 ARG A 56 -10.544 -2.921 -5.072 1.00 0.00 N ATOM 0 H ARG A 56 -2.688 -0.713 -4.935 1.00 0.00 H new ATOM 0 HA ARG A 56 -4.418 -2.453 -6.444 1.00 0.00 H new ATOM 0 HB2 ARG A 56 -5.152 0.439 -5.935 1.00 0.00 H new ATOM 0 HB3 ARG A 56 -5.554 -0.312 -7.466 1.00 0.00 H new ATOM 0 HG2 ARG A 56 -6.423 -2.257 -5.728 1.00 0.00 H new ATOM 0 HG3 ARG A 56 -6.676 -0.829 -4.745 1.00 0.00 H new ATOM 0 HD2 ARG A 56 -8.226 0.117 -6.268 1.00 0.00 H new ATOM 0 HD3 ARG A 56 -7.618 -0.811 -7.624 1.00 0.00 H new ATOM 0 HE ARG A 56 -8.986 -2.631 -7.008 1.00 0.00 H new ATOM 0 HH11 ARG A 56 -8.831 -0.255 -4.379 1.00 0.00 H new ATOM 0 HH12 ARG A 56 -10.108 -1.032 -3.438 1.00 0.00 H new ATOM 0 HH21 ARG A 56 -10.639 -3.636 -5.793 1.00 0.00 H new ATOM 0 HH22 ARG A 56 -11.135 -2.952 -4.241 1.00 0.00 H new ATOM 882 N ARG A 57 -3.482 -1.277 -8.621 1.00 0.00 N ATOM 883 CA ARG A 57 -2.621 -0.956 -9.747 1.00 0.00 C ATOM 884 C ARG A 57 -2.086 0.472 -9.615 1.00 0.00 C ATOM 885 O ARG A 57 -2.844 1.400 -9.338 1.00 0.00 O ATOM 886 CB ARG A 57 -3.373 -1.091 -11.072 1.00 0.00 C ATOM 887 CG ARG A 57 -3.016 -2.403 -11.774 1.00 0.00 C ATOM 888 CD ARG A 57 -4.260 -3.059 -12.376 1.00 0.00 C ATOM 889 NE ARG A 57 -4.214 -4.523 -12.163 1.00 0.00 N ATOM 890 CZ ARG A 57 -5.285 -5.325 -12.226 1.00 0.00 C ATOM 891 NH1 ARG A 57 -6.493 -4.810 -12.497 1.00 0.00 N ATOM 892 NH2 ARG A 57 -5.150 -6.642 -12.018 1.00 0.00 N ATOM 0 H ARG A 57 -4.374 -1.701 -8.874 1.00 0.00 H new ATOM 0 HA ARG A 57 -1.790 -1.662 -9.741 1.00 0.00 H new ATOM 0 HB2 ARG A 57 -4.447 -1.052 -10.890 1.00 0.00 H new ATOM 0 HB3 ARG A 57 -3.129 -0.249 -11.720 1.00 0.00 H new ATOM 0 HG2 ARG A 57 -2.285 -2.212 -12.560 1.00 0.00 H new ATOM 0 HG3 ARG A 57 -2.549 -3.085 -11.063 1.00 0.00 H new ATOM 0 HD2 ARG A 57 -5.158 -2.645 -11.917 1.00 0.00 H new ATOM 0 HD3 ARG A 57 -4.317 -2.840 -13.442 1.00 0.00 H new ATOM 0 HE ARG A 57 -3.310 -4.948 -11.955 1.00 0.00 H new ATOM 0 HH11 ARG A 57 -6.596 -3.808 -12.655 1.00 0.00 H new ATOM 0 HH12 ARG A 57 -7.309 -5.421 -12.545 1.00 0.00 H new ATOM 0 HH21 ARG A 57 -4.231 -7.034 -11.812 1.00 0.00 H new ATOM 0 HH22 ARG A 57 -5.966 -7.252 -12.066 1.00 0.00 H new ATOM 906 N PRO A 58 -0.749 0.606 -9.826 1.00 0.00 N ATOM 907 CA PRO A 58 -0.104 1.905 -9.734 1.00 0.00 C ATOM 908 C PRO A 58 -0.418 2.762 -10.962 1.00 0.00 C ATOM 909 O PRO A 58 0.490 3.269 -11.618 1.00 0.00 O ATOM 910 CB PRO A 58 1.378 1.599 -9.587 1.00 0.00 C ATOM 911 CG PRO A 58 1.557 0.168 -10.067 1.00 0.00 C ATOM 912 CD PRO A 58 0.180 -0.470 -10.156 1.00 0.00 C ATOM 0 HA PRO A 58 -0.462 2.493 -8.889 1.00 0.00 H new ATOM 0 HB2 PRO A 58 1.980 2.288 -10.180 1.00 0.00 H new ATOM 0 HB3 PRO A 58 1.698 1.706 -8.551 1.00 0.00 H new ATOM 0 HG2 PRO A 58 2.049 0.150 -11.039 1.00 0.00 H new ATOM 0 HG3 PRO A 58 2.192 -0.389 -9.378 1.00 0.00 H new ATOM 0 HD2 PRO A 58 -0.010 -0.865 -11.154 1.00 0.00 H new ATOM 0 HD3 PRO A 58 0.084 -1.303 -9.460 1.00 0.00 H new ATOM 920 N ASN A 59 -1.708 2.897 -11.235 1.00 0.00 N ATOM 921 CA ASN A 59 -2.154 3.683 -12.372 1.00 0.00 C ATOM 922 C ASN A 59 -3.567 4.204 -12.104 1.00 0.00 C ATOM 923 O ASN A 59 -3.862 5.370 -12.360 1.00 0.00 O ATOM 924 CB ASN A 59 -2.195 2.836 -13.646 1.00 0.00 C ATOM 925 CG ASN A 59 -2.798 1.458 -13.368 1.00 0.00 C ATOM 926 OD1 ASN A 59 -3.949 1.320 -12.988 1.00 0.00 O ATOM 927 ND2 ASN A 59 -1.958 0.448 -13.578 1.00 0.00 N ATOM 0 H ASN A 59 -2.458 2.475 -10.688 1.00 0.00 H new ATOM 0 HA ASN A 59 -1.452 4.506 -12.509 1.00 0.00 H new ATOM 0 HB2 ASN A 59 -2.783 3.347 -14.408 1.00 0.00 H new ATOM 0 HB3 ASN A 59 -1.187 2.722 -14.044 1.00 0.00 H new ATOM 0 HD21 ASN A 59 -2.265 -0.512 -13.421 1.00 0.00 H new ATOM 0 HD22 ASN A 59 -1.007 0.633 -13.896 1.00 0.00 H new ATOM 934 N CYS A 60 -4.404 3.313 -11.593 1.00 0.00 N ATOM 935 CA CYS A 60 -5.780 3.667 -11.287 1.00 0.00 C ATOM 936 C CYS A 60 -5.767 4.832 -10.295 1.00 0.00 C ATOM 937 O CYS A 60 -6.753 5.556 -10.170 1.00 0.00 O ATOM 938 CB CYS A 60 -6.567 2.470 -10.752 1.00 0.00 C ATOM 939 SG CYS A 60 -8.364 2.790 -10.889 1.00 0.00 S ATOM 0 H CYS A 60 -4.156 2.346 -11.383 1.00 0.00 H new ATOM 0 HA CYS A 60 -6.291 3.974 -12.200 1.00 0.00 H new ATOM 0 HB2 CYS A 60 -6.305 1.573 -11.313 1.00 0.00 H new ATOM 0 HB3 CYS A 60 -6.301 2.285 -9.711 1.00 0.00 H new ATOM 0 HG CYS A 60 -9.023 1.766 -10.434 1.00 0.00 H new ATOM 945 N PHE A 61 -4.638 4.976 -9.616 1.00 0.00 N ATOM 946 CA PHE A 61 -4.484 6.040 -8.639 1.00 0.00 C ATOM 947 C PHE A 61 -4.128 7.363 -9.320 1.00 0.00 C ATOM 948 O PHE A 61 -4.025 7.427 -10.545 1.00 0.00 O ATOM 949 CB PHE A 61 -3.337 5.634 -7.712 1.00 0.00 C ATOM 950 CG PHE A 61 -3.687 4.496 -6.751 1.00 0.00 C ATOM 951 CD1 PHE A 61 -4.421 4.750 -5.634 1.00 0.00 C ATOM 952 CD2 PHE A 61 -3.264 3.230 -7.013 1.00 0.00 C ATOM 953 CE1 PHE A 61 -4.746 3.694 -4.742 1.00 0.00 C ATOM 954 CE2 PHE A 61 -3.589 2.174 -6.121 1.00 0.00 C ATOM 955 CZ PHE A 61 -4.323 2.428 -5.005 1.00 0.00 C ATOM 0 H PHE A 61 -3.822 4.374 -9.723 1.00 0.00 H new ATOM 0 HA PHE A 61 -5.417 6.182 -8.094 1.00 0.00 H new ATOM 0 HB2 PHE A 61 -2.482 5.334 -8.318 1.00 0.00 H new ATOM 0 HB3 PHE A 61 -3.027 6.503 -7.132 1.00 0.00 H new ATOM 0 HD1 PHE A 61 -4.757 5.755 -5.426 1.00 0.00 H new ATOM 0 HD2 PHE A 61 -2.681 3.028 -7.899 1.00 0.00 H new ATOM 0 HE1 PHE A 61 -5.329 3.896 -3.855 1.00 0.00 H new ATOM 0 HE2 PHE A 61 -3.253 1.169 -6.329 1.00 0.00 H new ATOM 0 HZ PHE A 61 -4.570 1.624 -4.327 1.00 0.00 H new ATOM 965 N GLY A 62 -3.951 8.387 -8.498 1.00 0.00 N ATOM 966 CA GLY A 62 -3.609 9.705 -9.006 1.00 0.00 C ATOM 967 C GLY A 62 -2.178 10.086 -8.622 1.00 0.00 C ATOM 968 O GLY A 62 -1.652 9.608 -7.618 1.00 0.00 O ATOM 0 H GLY A 62 -4.038 8.331 -7.483 1.00 0.00 H new ATOM 0 HA2 GLY A 62 -3.714 9.719 -10.091 1.00 0.00 H new ATOM 0 HA3 GLY A 62 -4.305 10.444 -8.609 1.00 0.00 H new ATOM 972 N ILE A 63 -1.588 10.944 -9.442 1.00 0.00 N ATOM 973 CA ILE A 63 -0.228 11.395 -9.200 1.00 0.00 C ATOM 974 C ILE A 63 -0.048 11.683 -7.708 1.00 0.00 C ATOM 975 O ILE A 63 0.814 11.093 -7.058 1.00 0.00 O ATOM 976 CB ILE A 63 0.110 12.584 -10.101 1.00 0.00 C ATOM 977 CG1 ILE A 63 0.500 12.116 -11.505 1.00 0.00 C ATOM 978 CG2 ILE A 63 1.192 13.462 -9.469 1.00 0.00 C ATOM 979 CD1 ILE A 63 -0.634 12.365 -12.501 1.00 0.00 C ATOM 0 H ILE A 63 -2.027 11.338 -10.274 1.00 0.00 H new ATOM 0 HA ILE A 63 0.485 10.613 -9.462 1.00 0.00 H new ATOM 0 HB ILE A 63 -0.784 13.199 -10.203 1.00 0.00 H new ATOM 0 HG12 ILE A 63 1.397 12.642 -11.831 1.00 0.00 H new ATOM 0 HG13 ILE A 63 0.743 11.054 -11.484 1.00 0.00 H new ATOM 0 HG21 ILE A 63 1.413 14.300 -10.130 1.00 0.00 H new ATOM 0 HG22 ILE A 63 0.839 13.840 -8.510 1.00 0.00 H new ATOM 0 HG23 ILE A 63 2.096 12.872 -9.316 1.00 0.00 H new ATOM 0 HD11 ILE A 63 -0.331 12.023 -13.491 1.00 0.00 H new ATOM 0 HD12 ILE A 63 -1.522 11.818 -12.185 1.00 0.00 H new ATOM 0 HD13 ILE A 63 -0.858 13.431 -12.538 1.00 0.00 H new ATOM 991 N ALA A 64 -0.875 12.590 -7.210 1.00 0.00 N ATOM 992 CA ALA A 64 -0.818 12.963 -5.807 1.00 0.00 C ATOM 993 C ALA A 64 -0.703 11.700 -4.951 1.00 0.00 C ATOM 994 O ALA A 64 0.178 11.602 -4.098 1.00 0.00 O ATOM 995 CB ALA A 64 -2.049 13.799 -5.450 1.00 0.00 C ATOM 0 H ALA A 64 -1.588 13.077 -7.753 1.00 0.00 H new ATOM 0 HA ALA A 64 0.061 13.576 -5.609 1.00 0.00 H new ATOM 0 HB1 ALA A 64 -2.006 14.079 -4.397 1.00 0.00 H new ATOM 0 HB2 ALA A 64 -2.068 14.699 -6.064 1.00 0.00 H new ATOM 0 HB3 ALA A 64 -2.951 13.215 -5.634 1.00 0.00 H new ATOM 1001 N LYS A 65 -1.605 10.765 -5.210 1.00 0.00 N ATOM 1002 CA LYS A 65 -1.615 9.512 -4.474 1.00 0.00 C ATOM 1003 C LYS A 65 -0.281 8.792 -4.682 1.00 0.00 C ATOM 1004 O LYS A 65 0.441 8.527 -3.722 1.00 0.00 O ATOM 1005 CB LYS A 65 -2.834 8.672 -4.863 1.00 0.00 C ATOM 1006 CG LYS A 65 -4.117 9.262 -4.274 1.00 0.00 C ATOM 1007 CD LYS A 65 -5.350 8.745 -5.017 1.00 0.00 C ATOM 1008 CE LYS A 65 -6.601 8.850 -4.143 1.00 0.00 C ATOM 1009 NZ LYS A 65 -7.823 8.755 -4.973 1.00 0.00 N ATOM 0 H LYS A 65 -2.334 10.850 -5.919 1.00 0.00 H new ATOM 0 HA LYS A 65 -1.713 9.699 -3.405 1.00 0.00 H new ATOM 0 HB2 LYS A 65 -2.916 8.625 -5.949 1.00 0.00 H new ATOM 0 HB3 LYS A 65 -2.704 7.649 -4.509 1.00 0.00 H new ATOM 0 HG2 LYS A 65 -4.189 9.003 -3.218 1.00 0.00 H new ATOM 0 HG3 LYS A 65 -4.082 10.350 -4.333 1.00 0.00 H new ATOM 0 HD2 LYS A 65 -5.493 9.317 -5.933 1.00 0.00 H new ATOM 0 HD3 LYS A 65 -5.193 7.707 -5.311 1.00 0.00 H new ATOM 0 HE2 LYS A 65 -6.598 8.055 -3.397 1.00 0.00 H new ATOM 0 HE3 LYS A 65 -6.595 9.796 -3.601 1.00 0.00 H new ATOM 0 HZ1 LYS A 65 -8.663 8.828 -4.364 1.00 0.00 H new ATOM 0 HZ2 LYS A 65 -7.831 9.528 -5.668 1.00 0.00 H new ATOM 0 HZ3 LYS A 65 -7.835 7.842 -5.471 1.00 0.00 H new ATOM 1023 N LEU A 66 0.006 8.497 -5.941 1.00 0.00 N ATOM 1024 CA LEU A 66 1.240 7.813 -6.287 1.00 0.00 C ATOM 1025 C LEU A 66 2.379 8.358 -5.423 1.00 0.00 C ATOM 1026 O LEU A 66 3.142 7.590 -4.838 1.00 0.00 O ATOM 1027 CB LEU A 66 1.506 7.915 -7.790 1.00 0.00 C ATOM 1028 CG LEU A 66 0.543 7.143 -8.695 1.00 0.00 C ATOM 1029 CD1 LEU A 66 0.730 7.541 -10.161 1.00 0.00 C ATOM 1030 CD2 LEU A 66 0.685 5.634 -8.488 1.00 0.00 C ATOM 0 H LEU A 66 -0.595 8.719 -6.734 1.00 0.00 H new ATOM 0 HA LEU A 66 1.158 6.747 -6.073 1.00 0.00 H new ATOM 0 HB2 LEU A 66 1.476 8.967 -8.074 1.00 0.00 H new ATOM 0 HB3 LEU A 66 2.519 7.561 -7.985 1.00 0.00 H new ATOM 0 HG LEU A 66 -0.476 7.411 -8.416 1.00 0.00 H new ATOM 0 HD11 LEU A 66 0.034 6.978 -10.783 1.00 0.00 H new ATOM 0 HD12 LEU A 66 0.538 8.608 -10.276 1.00 0.00 H new ATOM 0 HD13 LEU A 66 1.752 7.321 -10.470 1.00 0.00 H new ATOM 0 HD21 LEU A 66 -0.011 5.110 -9.143 1.00 0.00 H new ATOM 0 HD22 LEU A 66 1.705 5.329 -8.723 1.00 0.00 H new ATOM 0 HD23 LEU A 66 0.462 5.387 -7.450 1.00 0.00 H new ATOM 1042 N ARG A 67 2.459 9.680 -5.370 1.00 0.00 N ATOM 1043 CA ARG A 67 3.492 10.336 -4.587 1.00 0.00 C ATOM 1044 C ARG A 67 3.412 9.894 -3.125 1.00 0.00 C ATOM 1045 O ARG A 67 4.372 9.348 -2.584 1.00 0.00 O ATOM 1046 CB ARG A 67 3.355 11.858 -4.661 1.00 0.00 C ATOM 1047 CG ARG A 67 3.679 12.371 -6.065 1.00 0.00 C ATOM 1048 CD ARG A 67 3.628 13.899 -6.117 1.00 0.00 C ATOM 1049 NE ARG A 67 3.574 14.357 -7.523 1.00 0.00 N ATOM 1050 CZ ARG A 67 4.622 14.348 -8.357 1.00 0.00 C ATOM 1051 NH1 ARG A 67 5.813 13.904 -7.932 1.00 0.00 N ATOM 1052 NH2 ARG A 67 4.480 14.782 -9.617 1.00 0.00 N ATOM 0 H ARG A 67 1.825 10.314 -5.857 1.00 0.00 H new ATOM 0 HA ARG A 67 4.457 10.048 -5.004 1.00 0.00 H new ATOM 0 HB2 ARG A 67 2.340 12.149 -4.389 1.00 0.00 H new ATOM 0 HB3 ARG A 67 4.025 12.322 -3.937 1.00 0.00 H new ATOM 0 HG2 ARG A 67 4.670 12.027 -6.362 1.00 0.00 H new ATOM 0 HG3 ARG A 67 2.969 11.956 -6.780 1.00 0.00 H new ATOM 0 HD2 ARG A 67 2.754 14.260 -5.575 1.00 0.00 H new ATOM 0 HD3 ARG A 67 4.505 14.317 -5.623 1.00 0.00 H new ATOM 0 HE ARG A 67 2.683 14.701 -7.880 1.00 0.00 H new ATOM 0 HH11 ARG A 67 5.921 13.573 -6.973 1.00 0.00 H new ATOM 0 HH12 ARG A 67 6.611 13.897 -8.567 1.00 0.00 H new ATOM 0 HH21 ARG A 67 3.574 15.119 -9.941 1.00 0.00 H new ATOM 0 HH22 ARG A 67 5.278 14.775 -10.252 1.00 0.00 H new ATOM 1066 N LYS A 68 2.257 10.146 -2.526 1.00 0.00 N ATOM 1067 CA LYS A 68 2.039 9.781 -1.137 1.00 0.00 C ATOM 1068 C LYS A 68 2.650 8.403 -0.875 1.00 0.00 C ATOM 1069 O LYS A 68 3.575 8.272 -0.075 1.00 0.00 O ATOM 1070 CB LYS A 68 0.552 9.871 -0.786 1.00 0.00 C ATOM 1071 CG LYS A 68 0.217 11.230 -0.167 1.00 0.00 C ATOM 1072 CD LYS A 68 -0.777 11.999 -1.039 1.00 0.00 C ATOM 1073 CE LYS A 68 -1.178 13.320 -0.379 1.00 0.00 C ATOM 1074 NZ LYS A 68 -0.282 14.413 -0.819 1.00 0.00 N ATOM 0 H LYS A 68 1.462 10.599 -2.978 1.00 0.00 H new ATOM 0 HA LYS A 68 2.542 10.485 -0.475 1.00 0.00 H new ATOM 0 HB2 LYS A 68 -0.047 9.718 -1.684 1.00 0.00 H new ATOM 0 HB3 LYS A 68 0.290 9.075 -0.089 1.00 0.00 H new ATOM 0 HG2 LYS A 68 -0.202 11.087 0.829 1.00 0.00 H new ATOM 0 HG3 LYS A 68 1.129 11.814 -0.048 1.00 0.00 H new ATOM 0 HD2 LYS A 68 -0.333 12.196 -2.015 1.00 0.00 H new ATOM 0 HD3 LYS A 68 -1.664 11.389 -1.209 1.00 0.00 H new ATOM 0 HE2 LYS A 68 -2.210 13.562 -0.635 1.00 0.00 H new ATOM 0 HE3 LYS A 68 -1.133 13.220 0.705 1.00 0.00 H new ATOM 0 HZ1 LYS A 68 -0.568 15.302 -0.362 1.00 0.00 H new ATOM 0 HZ2 LYS A 68 0.698 14.187 -0.553 1.00 0.00 H new ATOM 0 HZ3 LYS A 68 -0.345 14.519 -1.852 1.00 0.00 H new ATOM 1088 N ILE A 69 2.107 7.409 -1.564 1.00 0.00 N ATOM 1089 CA ILE A 69 2.587 6.046 -1.415 1.00 0.00 C ATOM 1090 C ILE A 69 4.117 6.050 -1.371 1.00 0.00 C ATOM 1091 O ILE A 69 4.715 5.580 -0.404 1.00 0.00 O ATOM 1092 CB ILE A 69 2.007 5.151 -2.512 1.00 0.00 C ATOM 1093 CG1 ILE A 69 0.485 5.049 -2.388 1.00 0.00 C ATOM 1094 CG2 ILE A 69 2.675 3.775 -2.508 1.00 0.00 C ATOM 1095 CD1 ILE A 69 -0.124 4.393 -3.629 1.00 0.00 C ATOM 0 H ILE A 69 1.340 7.521 -2.226 1.00 0.00 H new ATOM 0 HA ILE A 69 2.241 5.622 -0.472 1.00 0.00 H new ATOM 0 HB ILE A 69 2.222 5.610 -3.477 1.00 0.00 H new ATOM 0 HG12 ILE A 69 0.227 4.469 -1.502 1.00 0.00 H new ATOM 0 HG13 ILE A 69 0.060 6.044 -2.253 1.00 0.00 H new ATOM 0 HG21 ILE A 69 2.244 3.159 -3.297 1.00 0.00 H new ATOM 0 HG22 ILE A 69 3.745 3.890 -2.680 1.00 0.00 H new ATOM 0 HG23 ILE A 69 2.512 3.294 -1.543 1.00 0.00 H new ATOM 0 HD11 ILE A 69 -1.206 4.333 -3.515 1.00 0.00 H new ATOM 0 HD12 ILE A 69 0.115 4.989 -4.510 1.00 0.00 H new ATOM 0 HD13 ILE A 69 0.285 3.389 -3.748 1.00 0.00 H new ATOM 1107 N LEU A 70 4.706 6.587 -2.429 1.00 0.00 N ATOM 1108 CA LEU A 70 6.154 6.659 -2.523 1.00 0.00 C ATOM 1109 C LEU A 70 6.710 7.328 -1.264 1.00 0.00 C ATOM 1110 O LEU A 70 7.731 6.898 -0.728 1.00 0.00 O ATOM 1111 CB LEU A 70 6.573 7.350 -3.822 1.00 0.00 C ATOM 1112 CG LEU A 70 6.391 6.535 -5.104 1.00 0.00 C ATOM 1113 CD1 LEU A 70 6.584 7.412 -6.343 1.00 0.00 C ATOM 1114 CD2 LEU A 70 7.315 5.316 -5.115 1.00 0.00 C ATOM 0 H LEU A 70 4.207 6.976 -3.229 1.00 0.00 H new ATOM 0 HA LEU A 70 6.583 5.658 -2.569 1.00 0.00 H new ATOM 0 HB2 LEU A 70 6.003 8.274 -3.919 1.00 0.00 H new ATOM 0 HB3 LEU A 70 7.623 7.630 -3.739 1.00 0.00 H new ATOM 0 HG LEU A 70 5.367 6.162 -5.129 1.00 0.00 H new ATOM 0 HD11 LEU A 70 6.449 6.808 -7.241 1.00 0.00 H new ATOM 0 HD12 LEU A 70 5.851 8.219 -6.335 1.00 0.00 H new ATOM 0 HD13 LEU A 70 7.589 7.834 -6.337 1.00 0.00 H new ATOM 0 HD21 LEU A 70 7.165 4.754 -6.037 1.00 0.00 H new ATOM 0 HD22 LEU A 70 8.352 5.645 -5.055 1.00 0.00 H new ATOM 0 HD23 LEU A 70 7.087 4.679 -4.261 1.00 0.00 H new ATOM 1126 N GLU A 71 6.014 8.368 -0.829 1.00 0.00 N ATOM 1127 CA GLU A 71 6.426 9.100 0.357 1.00 0.00 C ATOM 1128 C GLU A 71 6.241 8.235 1.606 1.00 0.00 C ATOM 1129 O GLU A 71 6.871 8.479 2.634 1.00 0.00 O ATOM 1130 CB GLU A 71 5.656 10.416 0.483 1.00 0.00 C ATOM 1131 CG GLU A 71 5.791 11.254 -0.789 1.00 0.00 C ATOM 1132 CD GLU A 71 5.974 12.736 -0.453 1.00 0.00 C ATOM 1133 OE1 GLU A 71 7.088 13.082 -0.004 1.00 0.00 O ATOM 1134 OE2 GLU A 71 4.996 13.488 -0.653 1.00 0.00 O ATOM 0 H GLU A 71 5.168 8.721 -1.276 1.00 0.00 H new ATOM 0 HA GLU A 71 7.484 9.343 0.261 1.00 0.00 H new ATOM 0 HB2 GLU A 71 4.603 10.209 0.676 1.00 0.00 H new ATOM 0 HB3 GLU A 71 6.031 10.981 1.336 1.00 0.00 H new ATOM 0 HG2 GLU A 71 6.642 10.902 -1.372 1.00 0.00 H new ATOM 0 HG3 GLU A 71 4.904 11.125 -1.410 1.00 0.00 H new ATOM 1141 N ALA A 72 5.374 7.241 1.475 1.00 0.00 N ATOM 1142 CA ALA A 72 5.098 6.339 2.580 1.00 0.00 C ATOM 1143 C ALA A 72 5.643 4.949 2.245 1.00 0.00 C ATOM 1144 O ALA A 72 5.089 3.940 2.679 1.00 0.00 O ATOM 1145 CB ALA A 72 3.595 6.323 2.864 1.00 0.00 C ATOM 0 H ALA A 72 4.854 7.041 0.621 1.00 0.00 H new ATOM 0 HA ALA A 72 5.597 6.680 3.487 1.00 0.00 H new ATOM 0 HB1 ALA A 72 3.389 5.646 3.693 1.00 0.00 H new ATOM 0 HB2 ALA A 72 3.263 7.328 3.125 1.00 0.00 H new ATOM 0 HB3 ALA A 72 3.061 5.983 1.977 1.00 0.00 H new ATOM 1151 N SER A 73 6.722 4.940 1.477 1.00 0.00 N ATOM 1152 CA SER A 73 7.348 3.691 1.079 1.00 0.00 C ATOM 1153 C SER A 73 7.923 2.979 2.306 1.00 0.00 C ATOM 1154 O SER A 73 7.447 1.911 2.688 1.00 0.00 O ATOM 1155 CB SER A 73 8.447 3.930 0.042 1.00 0.00 C ATOM 1156 OG SER A 73 9.668 3.289 0.400 1.00 0.00 O ATOM 0 H SER A 73 7.179 5.779 1.119 1.00 0.00 H new ATOM 0 HA SER A 73 6.587 3.059 0.622 1.00 0.00 H new ATOM 0 HB2 SER A 73 8.115 3.562 -0.929 1.00 0.00 H new ATOM 0 HB3 SER A 73 8.618 5.001 -0.065 1.00 0.00 H new ATOM 0 HG SER A 73 10.343 3.464 -0.288 1.00 0.00 H new ATOM 1162 N ASN A 74 8.937 3.600 2.890 1.00 0.00 N ATOM 1163 CA ASN A 74 9.581 3.040 4.065 1.00 0.00 C ATOM 1164 C ASN A 74 8.514 2.489 5.013 1.00 0.00 C ATOM 1165 O ASN A 74 8.658 1.389 5.544 1.00 0.00 O ATOM 1166 CB ASN A 74 10.376 4.108 4.819 1.00 0.00 C ATOM 1167 CG ASN A 74 11.505 4.667 3.950 1.00 0.00 C ATOM 1168 OD1 ASN A 74 12.394 3.957 3.510 1.00 0.00 O ATOM 1169 ND2 ASN A 74 11.419 5.975 3.729 1.00 0.00 N ATOM 0 H ASN A 74 9.328 4.486 2.571 1.00 0.00 H new ATOM 0 HA ASN A 74 10.258 2.252 3.735 1.00 0.00 H new ATOM 0 HB2 ASN A 74 9.710 4.917 5.121 1.00 0.00 H new ATOM 0 HB3 ASN A 74 10.792 3.680 5.731 1.00 0.00 H new ATOM 0 HD21 ASN A 74 12.124 6.444 3.160 1.00 0.00 H new ATOM 0 HD22 ASN A 74 10.648 6.510 4.128 1.00 0.00 H new ATOM 1176 N SER A 75 7.466 3.279 5.195 1.00 0.00 N ATOM 1177 CA SER A 75 6.374 2.883 6.069 1.00 0.00 C ATOM 1178 C SER A 75 5.659 1.660 5.493 1.00 0.00 C ATOM 1179 O SER A 75 5.373 0.706 6.215 1.00 0.00 O ATOM 1180 CB SER A 75 5.384 4.033 6.268 1.00 0.00 C ATOM 1181 OG SER A 75 6.013 5.192 6.807 1.00 0.00 O ATOM 0 H SER A 75 7.350 4.191 4.753 1.00 0.00 H new ATOM 0 HA SER A 75 6.791 2.626 7.043 1.00 0.00 H new ATOM 0 HB2 SER A 75 4.922 4.283 5.313 1.00 0.00 H new ATOM 0 HB3 SER A 75 4.584 3.711 6.935 1.00 0.00 H new ATOM 0 HG SER A 75 5.348 5.904 6.917 1.00 0.00 H new ATOM 1187 N ILE A 76 5.390 1.728 4.197 1.00 0.00 N ATOM 1188 CA ILE A 76 4.713 0.637 3.516 1.00 0.00 C ATOM 1189 C ILE A 76 5.407 -0.682 3.860 1.00 0.00 C ATOM 1190 O ILE A 76 6.593 -0.698 4.184 1.00 0.00 O ATOM 1191 CB ILE A 76 4.630 0.914 2.013 1.00 0.00 C ATOM 1192 CG1 ILE A 76 3.380 1.730 1.674 1.00 0.00 C ATOM 1193 CG2 ILE A 76 4.701 -0.387 1.211 1.00 0.00 C ATOM 1194 CD1 ILE A 76 3.344 2.084 0.186 1.00 0.00 C ATOM 0 H ILE A 76 5.628 2.521 3.601 1.00 0.00 H new ATOM 0 HA ILE A 76 3.682 0.554 3.860 1.00 0.00 H new ATOM 0 HB ILE A 76 5.494 1.515 1.728 1.00 0.00 H new ATOM 0 HG12 ILE A 76 2.488 1.162 1.938 1.00 0.00 H new ATOM 0 HG13 ILE A 76 3.365 2.643 2.269 1.00 0.00 H new ATOM 0 HG21 ILE A 76 4.640 -0.162 0.146 1.00 0.00 H new ATOM 0 HG22 ILE A 76 5.643 -0.893 1.421 1.00 0.00 H new ATOM 0 HG23 ILE A 76 3.871 -1.034 1.493 1.00 0.00 H new ATOM 0 HD11 ILE A 76 2.446 2.664 -0.028 1.00 0.00 H new ATOM 0 HD12 ILE A 76 4.225 2.672 -0.069 1.00 0.00 H new ATOM 0 HD13 ILE A 76 3.335 1.169 -0.406 1.00 0.00 H new ATOM 1206 N GLN A 77 4.637 -1.757 3.778 1.00 0.00 N ATOM 1207 CA GLN A 77 5.162 -3.079 4.077 1.00 0.00 C ATOM 1208 C GLN A 77 4.148 -4.155 3.685 1.00 0.00 C ATOM 1209 O GLN A 77 2.990 -4.102 4.097 1.00 0.00 O ATOM 1210 CB GLN A 77 5.542 -3.196 5.555 1.00 0.00 C ATOM 1211 CG GLN A 77 6.525 -4.347 5.778 1.00 0.00 C ATOM 1212 CD GLN A 77 7.259 -4.190 7.112 1.00 0.00 C ATOM 1213 OE1 GLN A 77 7.847 -3.163 7.409 1.00 0.00 O ATOM 1214 NE2 GLN A 77 7.190 -5.262 7.896 1.00 0.00 N ATOM 0 H GLN A 77 3.653 -1.740 3.509 1.00 0.00 H new ATOM 0 HA GLN A 77 6.067 -3.230 3.489 1.00 0.00 H new ATOM 0 HB2 GLN A 77 5.988 -2.261 5.895 1.00 0.00 H new ATOM 0 HB3 GLN A 77 4.645 -3.358 6.153 1.00 0.00 H new ATOM 0 HG2 GLN A 77 5.989 -5.296 5.763 1.00 0.00 H new ATOM 0 HG3 GLN A 77 7.248 -4.376 4.962 1.00 0.00 H new ATOM 0 HE21 GLN A 77 6.681 -6.089 7.585 1.00 0.00 H new ATOM 0 HE22 GLN A 77 7.646 -5.257 8.808 1.00 0.00 H new ATOM 1223 N PHE A 78 4.619 -5.106 2.892 1.00 0.00 N ATOM 1224 CA PHE A 78 3.768 -6.193 2.439 1.00 0.00 C ATOM 1225 C PHE A 78 3.787 -7.355 3.434 1.00 0.00 C ATOM 1226 O PHE A 78 4.703 -8.175 3.418 1.00 0.00 O ATOM 1227 CB PHE A 78 4.330 -6.674 1.100 1.00 0.00 C ATOM 1228 CG PHE A 78 3.894 -5.828 -0.098 1.00 0.00 C ATOM 1229 CD1 PHE A 78 4.127 -4.488 -0.105 1.00 0.00 C ATOM 1230 CD2 PHE A 78 3.275 -6.416 -1.156 1.00 0.00 C ATOM 1231 CE1 PHE A 78 3.722 -3.702 -1.217 1.00 0.00 C ATOM 1232 CE2 PHE A 78 2.870 -5.631 -2.268 1.00 0.00 C ATOM 1233 CZ PHE A 78 3.103 -4.291 -2.275 1.00 0.00 C ATOM 0 H PHE A 78 5.580 -5.146 2.551 1.00 0.00 H new ATOM 0 HA PHE A 78 2.739 -5.846 2.346 1.00 0.00 H new ATOM 0 HB2 PHE A 78 5.419 -6.675 1.154 1.00 0.00 H new ATOM 0 HB3 PHE A 78 4.018 -7.705 0.936 1.00 0.00 H new ATOM 0 HD1 PHE A 78 4.620 -4.021 0.735 1.00 0.00 H new ATOM 0 HD2 PHE A 78 3.091 -7.480 -1.151 1.00 0.00 H new ATOM 0 HE1 PHE A 78 3.906 -2.638 -1.222 1.00 0.00 H new ATOM 0 HE2 PHE A 78 2.377 -6.098 -3.108 1.00 0.00 H new ATOM 0 HZ PHE A 78 2.796 -3.694 -3.121 1.00 0.00 H new ATOM 1243 N VAL A 79 2.763 -7.389 4.275 1.00 0.00 N ATOM 1244 CA VAL A 79 2.651 -8.438 5.274 1.00 0.00 C ATOM 1245 C VAL A 79 2.008 -9.673 4.641 1.00 0.00 C ATOM 1246 O VAL A 79 0.973 -9.571 3.984 1.00 0.00 O ATOM 1247 CB VAL A 79 1.881 -7.920 6.491 1.00 0.00 C ATOM 1248 CG1 VAL A 79 1.603 -9.049 7.485 1.00 0.00 C ATOM 1249 CG2 VAL A 79 2.630 -6.769 7.165 1.00 0.00 C ATOM 0 H VAL A 79 2.004 -6.707 4.285 1.00 0.00 H new ATOM 0 HA VAL A 79 3.638 -8.733 5.631 1.00 0.00 H new ATOM 0 HB VAL A 79 0.922 -7.537 6.142 1.00 0.00 H new ATOM 0 HG11 VAL A 79 1.055 -8.654 8.340 1.00 0.00 H new ATOM 0 HG12 VAL A 79 1.009 -9.823 6.999 1.00 0.00 H new ATOM 0 HG13 VAL A 79 2.547 -9.475 7.825 1.00 0.00 H new ATOM 0 HG21 VAL A 79 2.061 -6.420 8.027 1.00 0.00 H new ATOM 0 HG22 VAL A 79 3.610 -7.115 7.493 1.00 0.00 H new ATOM 0 HG23 VAL A 79 2.754 -5.951 6.456 1.00 0.00 H new ATOM 1259 N ILE A 80 2.647 -10.812 4.862 1.00 0.00 N ATOM 1260 CA ILE A 80 2.150 -12.066 4.321 1.00 0.00 C ATOM 1261 C ILE A 80 1.614 -12.932 5.463 1.00 0.00 C ATOM 1262 O ILE A 80 2.286 -13.116 6.476 1.00 0.00 O ATOM 1263 CB ILE A 80 3.231 -12.754 3.483 1.00 0.00 C ATOM 1264 CG1 ILE A 80 3.974 -11.742 2.610 1.00 0.00 C ATOM 1265 CG2 ILE A 80 2.639 -13.898 2.658 1.00 0.00 C ATOM 1266 CD1 ILE A 80 3.056 -11.173 1.527 1.00 0.00 C ATOM 0 H ILE A 80 3.505 -10.893 5.408 1.00 0.00 H new ATOM 0 HA ILE A 80 1.318 -11.884 3.640 1.00 0.00 H new ATOM 0 HB ILE A 80 3.963 -13.192 4.162 1.00 0.00 H new ATOM 0 HG12 ILE A 80 4.355 -10.931 3.231 1.00 0.00 H new ATOM 0 HG13 ILE A 80 4.836 -12.221 2.146 1.00 0.00 H new ATOM 0 HG21 ILE A 80 3.428 -14.370 2.072 1.00 0.00 H new ATOM 0 HG22 ILE A 80 2.193 -14.635 3.326 1.00 0.00 H new ATOM 0 HG23 ILE A 80 1.874 -13.505 1.988 1.00 0.00 H new ATOM 0 HD11 ILE A 80 3.610 -10.456 0.921 1.00 0.00 H new ATOM 0 HD12 ILE A 80 2.696 -11.983 0.893 1.00 0.00 H new ATOM 0 HD13 ILE A 80 2.207 -10.674 1.995 1.00 0.00 H new ATOM 1278 N LYS A 81 0.407 -13.440 5.260 1.00 0.00 N ATOM 1279 CA LYS A 81 -0.228 -14.282 6.260 1.00 0.00 C ATOM 1280 C LYS A 81 -0.360 -15.704 5.713 1.00 0.00 C ATOM 1281 O LYS A 81 -0.176 -16.675 6.447 1.00 0.00 O ATOM 1282 CB LYS A 81 -1.557 -13.670 6.710 1.00 0.00 C ATOM 1283 CG LYS A 81 -1.389 -12.190 7.059 1.00 0.00 C ATOM 1284 CD LYS A 81 -1.247 -11.995 8.570 1.00 0.00 C ATOM 1285 CE LYS A 81 -2.559 -11.503 9.184 1.00 0.00 C ATOM 1286 NZ LYS A 81 -2.901 -12.300 10.384 1.00 0.00 N ATOM 0 H LYS A 81 -0.148 -13.285 4.418 1.00 0.00 H new ATOM 0 HA LYS A 81 0.389 -14.341 7.156 1.00 0.00 H new ATOM 0 HB2 LYS A 81 -2.298 -13.779 5.918 1.00 0.00 H new ATOM 0 HB3 LYS A 81 -1.935 -14.211 7.577 1.00 0.00 H new ATOM 0 HG2 LYS A 81 -0.510 -11.791 6.553 1.00 0.00 H new ATOM 0 HG3 LYS A 81 -2.249 -11.627 6.695 1.00 0.00 H new ATOM 0 HD2 LYS A 81 -0.953 -12.936 9.036 1.00 0.00 H new ATOM 0 HD3 LYS A 81 -0.453 -11.276 8.775 1.00 0.00 H new ATOM 0 HE2 LYS A 81 -2.469 -10.450 9.453 1.00 0.00 H new ATOM 0 HE3 LYS A 81 -3.361 -11.577 8.450 1.00 0.00 H new ATOM 0 HZ1 LYS A 81 -3.794 -11.953 10.788 1.00 0.00 H new ATOM 0 HZ2 LYS A 81 -3.007 -13.300 10.118 1.00 0.00 H new ATOM 0 HZ3 LYS A 81 -2.143 -12.208 11.090 1.00 0.00 H new ATOM 1300 N ARG A 82 -0.677 -15.784 4.429 1.00 0.00 N ATOM 1301 CA ARG A 82 -0.835 -17.072 3.776 1.00 0.00 C ATOM 1302 C ARG A 82 -0.279 -17.017 2.352 1.00 0.00 C ATOM 1303 O ARG A 82 -0.976 -16.604 1.425 1.00 0.00 O ATOM 1304 CB ARG A 82 -2.307 -17.487 3.726 1.00 0.00 C ATOM 1305 CG ARG A 82 -2.828 -17.831 5.123 1.00 0.00 C ATOM 1306 CD ARG A 82 -4.224 -18.452 5.050 1.00 0.00 C ATOM 1307 NE ARG A 82 -4.127 -19.927 5.134 1.00 0.00 N ATOM 1308 CZ ARG A 82 -5.185 -20.746 5.209 1.00 0.00 C ATOM 1309 NH1 ARG A 82 -6.425 -20.240 5.212 1.00 0.00 N ATOM 1310 NH2 ARG A 82 -5.002 -22.071 5.282 1.00 0.00 N ATOM 0 H ARG A 82 -0.829 -14.977 3.823 1.00 0.00 H new ATOM 0 HA ARG A 82 -0.281 -17.809 4.358 1.00 0.00 H new ATOM 0 HB2 ARG A 82 -2.902 -16.679 3.301 1.00 0.00 H new ATOM 0 HB3 ARG A 82 -2.423 -18.348 3.068 1.00 0.00 H new ATOM 0 HG2 ARG A 82 -2.143 -18.525 5.610 1.00 0.00 H new ATOM 0 HG3 ARG A 82 -2.858 -16.930 5.736 1.00 0.00 H new ATOM 0 HD2 ARG A 82 -4.843 -18.073 5.864 1.00 0.00 H new ATOM 0 HD3 ARG A 82 -4.711 -18.164 4.118 1.00 0.00 H new ATOM 0 HE ARG A 82 -3.197 -20.346 5.135 1.00 0.00 H new ATOM 0 HH11 ARG A 82 -6.564 -19.231 5.157 1.00 0.00 H new ATOM 0 HH12 ARG A 82 -7.230 -20.864 5.269 1.00 0.00 H new ATOM 0 HH21 ARG A 82 -4.058 -22.456 5.281 1.00 0.00 H new ATOM 0 HH22 ARG A 82 -5.807 -22.695 5.339 1.00 0.00 H new ATOM 1324 N PRO A 83 1.003 -17.449 2.218 1.00 0.00 N ATOM 1325 CA PRO A 83 1.660 -17.453 0.922 1.00 0.00 C ATOM 1326 C PRO A 83 1.146 -18.599 0.049 1.00 0.00 C ATOM 1327 O PRO A 83 1.353 -18.603 -1.163 1.00 0.00 O ATOM 1328 CB PRO A 83 3.144 -17.563 1.234 1.00 0.00 C ATOM 1329 CG PRO A 83 3.233 -18.083 2.659 1.00 0.00 C ATOM 1330 CD PRO A 83 1.858 -17.945 3.293 1.00 0.00 C ATOM 0 HA PRO A 83 1.453 -16.553 0.343 1.00 0.00 H new ATOM 0 HB2 PRO A 83 3.640 -18.241 0.539 1.00 0.00 H new ATOM 0 HB3 PRO A 83 3.636 -16.595 1.140 1.00 0.00 H new ATOM 0 HG2 PRO A 83 3.554 -19.125 2.666 1.00 0.00 H new ATOM 0 HG3 PRO A 83 3.973 -17.518 3.226 1.00 0.00 H new ATOM 0 HD2 PRO A 83 1.500 -18.901 3.675 1.00 0.00 H new ATOM 0 HD3 PRO A 83 1.878 -17.253 4.135 1.00 0.00 H new ATOM 1338 N GLU A 84 0.485 -19.546 0.700 1.00 0.00 N ATOM 1339 CA GLU A 84 -0.060 -20.695 -0.001 1.00 0.00 C ATOM 1340 C GLU A 84 -1.081 -20.243 -1.047 1.00 0.00 C ATOM 1341 O GLU A 84 -1.341 -20.957 -2.015 1.00 0.00 O ATOM 1342 CB GLU A 84 -0.684 -21.691 0.980 1.00 0.00 C ATOM 1343 CG GLU A 84 -1.949 -21.113 1.617 1.00 0.00 C ATOM 1344 CD GLU A 84 -2.762 -22.208 2.311 1.00 0.00 C ATOM 1345 OE1 GLU A 84 -2.301 -22.667 3.378 1.00 0.00 O ATOM 1346 OE2 GLU A 84 -3.827 -22.560 1.758 1.00 0.00 O ATOM 0 H GLU A 84 0.315 -19.540 1.706 1.00 0.00 H new ATOM 0 HA GLU A 84 0.756 -21.204 -0.514 1.00 0.00 H new ATOM 0 HB2 GLU A 84 -0.926 -22.617 0.459 1.00 0.00 H new ATOM 0 HB3 GLU A 84 0.037 -21.941 1.758 1.00 0.00 H new ATOM 0 HG2 GLU A 84 -1.678 -20.343 2.339 1.00 0.00 H new ATOM 0 HG3 GLU A 84 -2.559 -20.632 0.852 1.00 0.00 H new ATOM 1353 N LEU A 85 -1.633 -19.061 -0.817 1.00 0.00 N ATOM 1354 CA LEU A 85 -2.619 -18.505 -1.727 1.00 0.00 C ATOM 1355 C LEU A 85 -1.935 -18.119 -3.040 1.00 0.00 C ATOM 1356 O LEU A 85 -2.453 -18.400 -4.120 1.00 0.00 O ATOM 1357 CB LEU A 85 -3.371 -17.350 -1.063 1.00 0.00 C ATOM 1358 CG LEU A 85 -4.109 -17.688 0.235 1.00 0.00 C ATOM 1359 CD1 LEU A 85 -4.653 -16.424 0.901 1.00 0.00 C ATOM 1360 CD2 LEU A 85 -5.207 -18.724 -0.013 1.00 0.00 C ATOM 0 H LEU A 85 -1.416 -18.473 -0.013 1.00 0.00 H new ATOM 0 HA LEU A 85 -3.376 -19.251 -1.969 1.00 0.00 H new ATOM 0 HB2 LEU A 85 -2.659 -16.551 -0.856 1.00 0.00 H new ATOM 0 HB3 LEU A 85 -4.094 -16.955 -1.777 1.00 0.00 H new ATOM 0 HG LEU A 85 -3.396 -18.135 0.928 1.00 0.00 H new ATOM 0 HD11 LEU A 85 -5.173 -16.692 1.821 1.00 0.00 H new ATOM 0 HD12 LEU A 85 -3.828 -15.751 1.134 1.00 0.00 H new ATOM 0 HD13 LEU A 85 -5.347 -15.926 0.224 1.00 0.00 H new ATOM 0 HD21 LEU A 85 -5.716 -18.947 0.925 1.00 0.00 H new ATOM 0 HD22 LEU A 85 -5.926 -18.328 -0.731 1.00 0.00 H new ATOM 0 HD23 LEU A 85 -4.763 -19.637 -0.410 1.00 0.00 H new ATOM 1372 N LEU A 86 -0.782 -17.480 -2.904 1.00 0.00 N ATOM 1373 CA LEU A 86 -0.022 -17.053 -4.066 1.00 0.00 C ATOM 1374 C LEU A 86 -0.024 -18.170 -5.111 1.00 0.00 C ATOM 1375 O LEU A 86 -0.387 -17.945 -6.265 1.00 0.00 O ATOM 1376 CB LEU A 86 1.380 -16.600 -3.652 1.00 0.00 C ATOM 1377 CG LEU A 86 1.443 -15.489 -2.602 1.00 0.00 C ATOM 1378 CD1 LEU A 86 2.890 -15.070 -2.334 1.00 0.00 C ATOM 1379 CD2 LEU A 86 0.568 -14.302 -3.007 1.00 0.00 C ATOM 0 H LEU A 86 -0.356 -17.248 -2.007 1.00 0.00 H new ATOM 0 HA LEU A 86 -0.490 -16.184 -4.528 1.00 0.00 H new ATOM 0 HB2 LEU A 86 1.922 -17.465 -3.270 1.00 0.00 H new ATOM 0 HB3 LEU A 86 1.909 -16.261 -4.543 1.00 0.00 H new ATOM 0 HG LEU A 86 1.042 -15.879 -1.667 1.00 0.00 H new ATOM 0 HD11 LEU A 86 2.907 -14.279 -1.584 1.00 0.00 H new ATOM 0 HD12 LEU A 86 3.456 -15.928 -1.970 1.00 0.00 H new ATOM 0 HD13 LEU A 86 3.340 -14.704 -3.257 1.00 0.00 H new ATOM 0 HD21 LEU A 86 0.631 -13.527 -2.244 1.00 0.00 H new ATOM 0 HD22 LEU A 86 0.915 -13.902 -3.960 1.00 0.00 H new ATOM 0 HD23 LEU A 86 -0.467 -14.630 -3.107 1.00 0.00 H new