USER MOD reduce.3.24.130724 H: found=0, std=0, add=690, rem=0, adj=12 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 Set 1.1: A 36 LYS NZ :NH3+ -168:sc= 0 (180deg=0) USER MOD Set 1.2: A 39 MET CE :methyl -120:sc= 0 (180deg=-0.0651) USER MOD Single : A 10 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 11 GLN : amide:sc= -0.173 K(o=-0.17,f=-0.75) USER MOD Single : A 17 ASN : amide:sc= -0.201 X(o=-0.2,f=-0.58) USER MOD Single : A 18 THR OG1 : rot 113:sc= -0.299 USER MOD Single : A 20 TYR OH : rot 180:sc= -1.22 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 180:sc= 0 USER MOD Single : A 35 SER OG : rot 180:sc= 0.0697 USER MOD Single : A 40 HIS : no HD1:sc= -7.71! C(o=-7.7!,f=-6.5!) USER MOD Single : A 54 SER OG : rot 180:sc= 0 USER MOD Single : A 59 ASN : amide:sc= -2.8 K(o=-2.8,f=-8.4!) 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= -0.315 USER MOD Single : A 74 ASN : amide:sc= -0.484 X(o=-0.48,f=-0.12) USER MOD Single : A 75 SER OG : rot 180:sc= 0 USER MOD Single : A 77 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 81 LYS NZ :NH3+ 158:sc= -0.664 (180deg=-2.06!) USER MOD ----------------------------------------------------------------- ATOM 59 N GLY A 7 5.380 9.333 -13.969 1.00 0.00 N ATOM 60 CA GLY A 7 6.627 8.604 -13.811 1.00 0.00 C ATOM 61 C GLY A 7 6.678 7.891 -12.459 1.00 0.00 C ATOM 62 O GLY A 7 7.589 7.105 -12.200 1.00 0.00 O ATOM 0 HA2 GLY A 7 6.730 7.875 -14.615 1.00 0.00 H new ATOM 0 HA3 GLY A 7 7.468 9.292 -13.895 1.00 0.00 H new ATOM 66 N LEU A 8 5.687 8.189 -11.631 1.00 0.00 N ATOM 67 CA LEU A 8 5.607 7.587 -10.311 1.00 0.00 C ATOM 68 C LEU A 8 5.324 6.090 -10.455 1.00 0.00 C ATOM 69 O LEU A 8 5.902 5.273 -9.739 1.00 0.00 O ATOM 70 CB LEU A 8 4.585 8.326 -9.445 1.00 0.00 C ATOM 71 CG LEU A 8 4.781 9.838 -9.320 1.00 0.00 C ATOM 72 CD1 LEU A 8 3.569 10.495 -8.657 1.00 0.00 C ATOM 73 CD2 LEU A 8 6.083 10.163 -8.584 1.00 0.00 C ATOM 0 H LEU A 8 4.932 8.840 -11.849 1.00 0.00 H new ATOM 0 HA LEU A 8 6.559 7.684 -9.790 1.00 0.00 H new ATOM 0 HB2 LEU A 8 3.591 8.141 -9.853 1.00 0.00 H new ATOM 0 HB3 LEU A 8 4.605 7.893 -8.445 1.00 0.00 H new ATOM 0 HG LEU A 8 4.865 10.256 -10.323 1.00 0.00 H new ATOM 0 HD11 LEU A 8 3.734 11.570 -8.580 1.00 0.00 H new ATOM 0 HD12 LEU A 8 2.679 10.307 -9.258 1.00 0.00 H new ATOM 0 HD13 LEU A 8 3.429 10.077 -7.660 1.00 0.00 H new ATOM 0 HD21 LEU A 8 6.198 11.244 -8.509 1.00 0.00 H new ATOM 0 HD22 LEU A 8 6.053 9.731 -7.584 1.00 0.00 H new ATOM 0 HD23 LEU A 8 6.926 9.746 -9.135 1.00 0.00 H new ATOM 85 N ARG A 9 4.434 5.776 -11.385 1.00 0.00 N ATOM 86 CA ARG A 9 4.066 4.392 -11.631 1.00 0.00 C ATOM 87 C ARG A 9 5.294 3.487 -11.508 1.00 0.00 C ATOM 88 O ARG A 9 5.342 2.615 -10.641 1.00 0.00 O ATOM 89 CB ARG A 9 3.456 4.224 -13.024 1.00 0.00 C ATOM 90 CG ARG A 9 2.353 5.256 -13.267 1.00 0.00 C ATOM 91 CD ARG A 9 1.191 4.643 -14.051 1.00 0.00 C ATOM 92 NE ARG A 9 1.301 5.002 -15.483 1.00 0.00 N ATOM 93 CZ ARG A 9 1.167 6.248 -15.958 1.00 0.00 C ATOM 94 NH1 ARG A 9 0.917 7.262 -15.118 1.00 0.00 N ATOM 95 NH2 ARG A 9 1.283 6.480 -17.272 1.00 0.00 N ATOM 0 H ARG A 9 3.957 6.456 -11.977 1.00 0.00 H new ATOM 0 HA ARG A 9 3.324 4.108 -10.885 1.00 0.00 H new ATOM 0 HB2 ARG A 9 4.233 4.332 -13.781 1.00 0.00 H new ATOM 0 HB3 ARG A 9 3.048 3.219 -13.127 1.00 0.00 H new ATOM 0 HG2 ARG A 9 1.991 5.638 -12.312 1.00 0.00 H new ATOM 0 HG3 ARG A 9 2.759 6.105 -13.817 1.00 0.00 H new ATOM 0 HD2 ARG A 9 1.197 3.559 -13.938 1.00 0.00 H new ATOM 0 HD3 ARG A 9 0.242 5.000 -13.650 1.00 0.00 H new ATOM 0 HE ARG A 9 1.491 4.254 -16.150 1.00 0.00 H new ATOM 0 HH11 ARG A 9 0.829 7.085 -14.117 1.00 0.00 H new ATOM 0 HH12 ARG A 9 0.815 8.210 -15.479 1.00 0.00 H new ATOM 0 HH21 ARG A 9 1.473 5.708 -17.911 1.00 0.00 H new ATOM 0 HH22 ARG A 9 1.181 7.428 -17.633 1.00 0.00 H new ATOM 109 N LYS A 10 6.255 3.724 -12.388 1.00 0.00 N ATOM 110 CA LYS A 10 7.479 2.941 -12.388 1.00 0.00 C ATOM 111 C LYS A 10 8.049 2.892 -10.969 1.00 0.00 C ATOM 112 O LYS A 10 8.466 1.834 -10.500 1.00 0.00 O ATOM 113 CB LYS A 10 8.463 3.485 -13.427 1.00 0.00 C ATOM 114 CG LYS A 10 7.833 3.504 -14.821 1.00 0.00 C ATOM 115 CD LYS A 10 8.904 3.637 -15.905 1.00 0.00 C ATOM 116 CE LYS A 10 8.269 3.818 -17.285 1.00 0.00 C ATOM 117 NZ LYS A 10 9.287 4.237 -18.274 1.00 0.00 N ATOM 0 H LYS A 10 6.211 4.447 -13.106 1.00 0.00 H new ATOM 0 HA LYS A 10 7.273 1.913 -12.685 1.00 0.00 H new ATOM 0 HB2 LYS A 10 8.770 4.493 -13.149 1.00 0.00 H new ATOM 0 HB3 LYS A 10 9.362 2.869 -13.439 1.00 0.00 H new ATOM 0 HG2 LYS A 10 7.263 2.589 -14.979 1.00 0.00 H new ATOM 0 HG3 LYS A 10 7.130 4.334 -14.895 1.00 0.00 H new ATOM 0 HD2 LYS A 10 9.548 4.488 -15.683 1.00 0.00 H new ATOM 0 HD3 LYS A 10 9.537 2.750 -15.906 1.00 0.00 H new ATOM 0 HE2 LYS A 10 7.806 2.884 -17.604 1.00 0.00 H new ATOM 0 HE3 LYS A 10 7.476 4.564 -17.232 1.00 0.00 H new ATOM 0 HZ1 LYS A 10 8.839 4.355 -19.205 1.00 0.00 H new ATOM 0 HZ2 LYS A 10 9.710 5.139 -17.976 1.00 0.00 H new ATOM 0 HZ3 LYS A 10 10.029 3.511 -18.337 1.00 0.00 H new ATOM 131 N GLN A 11 8.047 4.050 -10.325 1.00 0.00 N ATOM 132 CA GLN A 11 8.559 4.152 -8.968 1.00 0.00 C ATOM 133 C GLN A 11 7.732 3.278 -8.022 1.00 0.00 C ATOM 134 O GLN A 11 8.280 2.437 -7.311 1.00 0.00 O ATOM 135 CB GLN A 11 8.575 5.607 -8.497 1.00 0.00 C ATOM 136 CG GLN A 11 9.181 6.522 -9.562 1.00 0.00 C ATOM 137 CD GLN A 11 10.007 7.639 -8.921 1.00 0.00 C ATOM 138 OE1 GLN A 11 10.728 7.438 -7.957 1.00 0.00 O ATOM 139 NE2 GLN A 11 9.863 8.824 -9.507 1.00 0.00 N ATOM 0 H GLN A 11 7.699 4.925 -10.717 1.00 0.00 H new ATOM 0 HA GLN A 11 9.587 3.790 -8.959 1.00 0.00 H new ATOM 0 HB2 GLN A 11 7.559 5.931 -8.270 1.00 0.00 H new ATOM 0 HB3 GLN A 11 9.149 5.688 -7.574 1.00 0.00 H new ATOM 0 HG2 GLN A 11 9.811 5.938 -10.232 1.00 0.00 H new ATOM 0 HG3 GLN A 11 8.386 6.955 -10.169 1.00 0.00 H new ATOM 0 HE21 GLN A 11 9.243 8.923 -10.311 1.00 0.00 H new ATOM 0 HE22 GLN A 11 10.373 9.633 -9.153 1.00 0.00 H new ATOM 148 N VAL A 12 6.427 3.507 -8.045 1.00 0.00 N ATOM 149 CA VAL A 12 5.520 2.752 -7.198 1.00 0.00 C ATOM 150 C VAL A 12 5.763 1.255 -7.405 1.00 0.00 C ATOM 151 O VAL A 12 5.911 0.507 -6.440 1.00 0.00 O ATOM 152 CB VAL A 12 4.074 3.167 -7.478 1.00 0.00 C ATOM 153 CG1 VAL A 12 3.094 2.329 -6.655 1.00 0.00 C ATOM 154 CG2 VAL A 12 3.873 4.661 -7.217 1.00 0.00 C ATOM 0 H VAL A 12 5.976 4.205 -8.637 1.00 0.00 H new ATOM 0 HA VAL A 12 5.709 2.970 -6.147 1.00 0.00 H new ATOM 0 HB VAL A 12 3.870 2.981 -8.532 1.00 0.00 H new ATOM 0 HG11 VAL A 12 2.074 2.644 -6.873 1.00 0.00 H new ATOM 0 HG12 VAL A 12 3.211 1.276 -6.911 1.00 0.00 H new ATOM 0 HG13 VAL A 12 3.298 2.469 -5.593 1.00 0.00 H new ATOM 0 HG21 VAL A 12 2.837 4.930 -7.423 1.00 0.00 H new ATOM 0 HG22 VAL A 12 4.105 4.883 -6.175 1.00 0.00 H new ATOM 0 HG23 VAL A 12 4.534 5.236 -7.866 1.00 0.00 H new ATOM 164 N GLU A 13 5.797 0.863 -8.671 1.00 0.00 N ATOM 165 CA GLU A 13 6.019 -0.530 -9.017 1.00 0.00 C ATOM 166 C GLU A 13 7.219 -1.084 -8.245 1.00 0.00 C ATOM 167 O GLU A 13 7.109 -2.108 -7.572 1.00 0.00 O ATOM 168 CB GLU A 13 6.214 -0.696 -10.525 1.00 0.00 C ATOM 169 CG GLU A 13 4.945 -0.310 -11.288 1.00 0.00 C ATOM 170 CD GLU A 13 4.679 -1.284 -12.438 1.00 0.00 C ATOM 171 OE1 GLU A 13 5.256 -1.053 -13.522 1.00 0.00 O ATOM 172 OE2 GLU A 13 3.904 -2.237 -12.206 1.00 0.00 O ATOM 0 H GLU A 13 5.674 1.486 -9.469 1.00 0.00 H new ATOM 0 HA GLU A 13 5.134 -1.100 -8.733 1.00 0.00 H new ATOM 0 HB2 GLU A 13 7.046 -0.075 -10.858 1.00 0.00 H new ATOM 0 HB3 GLU A 13 6.477 -1.730 -10.750 1.00 0.00 H new ATOM 0 HG2 GLU A 13 4.094 -0.305 -10.607 1.00 0.00 H new ATOM 0 HG3 GLU A 13 5.046 0.702 -11.680 1.00 0.00 H new ATOM 179 N LEU A 14 8.336 -0.382 -8.368 1.00 0.00 N ATOM 180 CA LEU A 14 9.555 -0.791 -7.690 1.00 0.00 C ATOM 181 C LEU A 14 9.279 -0.926 -6.191 1.00 0.00 C ATOM 182 O LEU A 14 9.670 -1.913 -5.571 1.00 0.00 O ATOM 183 CB LEU A 14 10.699 0.169 -8.021 1.00 0.00 C ATOM 184 CG LEU A 14 12.079 -0.224 -7.489 1.00 0.00 C ATOM 185 CD1 LEU A 14 12.473 -1.623 -7.968 1.00 0.00 C ATOM 186 CD2 LEU A 14 13.129 0.825 -7.860 1.00 0.00 C ATOM 0 H LEU A 14 8.423 0.467 -8.927 1.00 0.00 H new ATOM 0 HA LEU A 14 9.878 -1.770 -8.044 1.00 0.00 H new ATOM 0 HB2 LEU A 14 10.763 0.266 -9.105 1.00 0.00 H new ATOM 0 HB3 LEU A 14 10.446 1.153 -7.627 1.00 0.00 H new ATOM 0 HG LEU A 14 12.028 -0.258 -6.401 1.00 0.00 H new ATOM 0 HD11 LEU A 14 13.458 -1.878 -7.576 1.00 0.00 H new ATOM 0 HD12 LEU A 14 11.742 -2.349 -7.612 1.00 0.00 H new ATOM 0 HD13 LEU A 14 12.501 -1.640 -9.058 1.00 0.00 H new ATOM 0 HD21 LEU A 14 14.100 0.521 -7.470 1.00 0.00 H new ATOM 0 HD22 LEU A 14 13.186 0.915 -8.945 1.00 0.00 H new ATOM 0 HD23 LEU A 14 12.850 1.787 -7.430 1.00 0.00 H new ATOM 198 N LEU A 15 8.607 0.082 -5.653 1.00 0.00 N ATOM 199 CA LEU A 15 8.274 0.088 -4.238 1.00 0.00 C ATOM 200 C LEU A 15 7.520 -1.197 -3.891 1.00 0.00 C ATOM 201 O LEU A 15 8.001 -2.009 -3.102 1.00 0.00 O ATOM 202 CB LEU A 15 7.516 1.365 -3.872 1.00 0.00 C ATOM 203 CG LEU A 15 6.863 1.384 -2.488 1.00 0.00 C ATOM 204 CD1 LEU A 15 7.914 1.251 -1.385 1.00 0.00 C ATOM 205 CD2 LEU A 15 5.997 2.633 -2.308 1.00 0.00 C ATOM 0 H LEU A 15 8.284 0.899 -6.171 1.00 0.00 H new ATOM 0 HA LEU A 15 9.180 0.099 -3.633 1.00 0.00 H new ATOM 0 HB2 LEU A 15 8.207 2.205 -3.937 1.00 0.00 H new ATOM 0 HB3 LEU A 15 6.741 1.531 -4.620 1.00 0.00 H new ATOM 0 HG LEU A 15 6.203 0.520 -2.409 1.00 0.00 H new ATOM 0 HD11 LEU A 15 7.424 1.267 -0.412 1.00 0.00 H new ATOM 0 HD12 LEU A 15 8.451 0.310 -1.505 1.00 0.00 H new ATOM 0 HD13 LEU A 15 8.618 2.081 -1.451 1.00 0.00 H new ATOM 0 HD21 LEU A 15 5.544 2.622 -1.316 1.00 0.00 H new ATOM 0 HD22 LEU A 15 6.616 3.524 -2.415 1.00 0.00 H new ATOM 0 HD23 LEU A 15 5.213 2.644 -3.065 1.00 0.00 H new ATOM 217 N PHE A 16 6.350 -1.340 -4.496 1.00 0.00 N ATOM 218 CA PHE A 16 5.524 -2.512 -4.260 1.00 0.00 C ATOM 219 C PHE A 16 6.295 -3.797 -4.568 1.00 0.00 C ATOM 220 O PHE A 16 6.410 -4.676 -3.715 1.00 0.00 O ATOM 221 CB PHE A 16 4.325 -2.412 -5.205 1.00 0.00 C ATOM 222 CG PHE A 16 3.279 -1.381 -4.776 1.00 0.00 C ATOM 223 CD1 PHE A 16 3.557 -0.509 -3.770 1.00 0.00 C ATOM 224 CD2 PHE A 16 2.072 -1.336 -5.401 1.00 0.00 C ATOM 225 CE1 PHE A 16 2.587 0.449 -3.372 1.00 0.00 C ATOM 226 CE2 PHE A 16 1.102 -0.378 -5.003 1.00 0.00 C ATOM 227 CZ PHE A 16 1.380 0.494 -3.997 1.00 0.00 C ATOM 0 H PHE A 16 5.954 -0.664 -5.149 1.00 0.00 H new ATOM 0 HA PHE A 16 5.217 -2.546 -3.215 1.00 0.00 H new ATOM 0 HB2 PHE A 16 4.682 -2.158 -6.203 1.00 0.00 H new ATOM 0 HB3 PHE A 16 3.849 -3.390 -5.276 1.00 0.00 H new ATOM 0 HD1 PHE A 16 4.516 -0.545 -3.274 1.00 0.00 H new ATOM 0 HD2 PHE A 16 1.851 -2.029 -6.200 1.00 0.00 H new ATOM 0 HE1 PHE A 16 2.808 1.142 -2.573 1.00 0.00 H new ATOM 0 HE2 PHE A 16 0.143 -0.342 -5.499 1.00 0.00 H new ATOM 0 HZ PHE A 16 0.642 1.222 -3.694 1.00 0.00 H new ATOM 237 N ASN A 17 6.804 -3.866 -5.789 1.00 0.00 N ATOM 238 CA ASN A 17 7.561 -5.029 -6.221 1.00 0.00 C ATOM 239 C ASN A 17 8.665 -5.319 -5.203 1.00 0.00 C ATOM 240 O ASN A 17 8.849 -6.464 -4.791 1.00 0.00 O ATOM 241 CB ASN A 17 8.222 -4.783 -7.578 1.00 0.00 C ATOM 242 CG ASN A 17 7.211 -4.937 -8.717 1.00 0.00 C ATOM 243 OD1 ASN A 17 6.161 -4.316 -8.737 1.00 0.00 O ATOM 244 ND2 ASN A 17 7.585 -5.797 -9.659 1.00 0.00 N ATOM 0 H ASN A 17 6.707 -3.135 -6.494 1.00 0.00 H new ATOM 0 HA ASN A 17 6.871 -5.869 -6.303 1.00 0.00 H new ATOM 0 HB2 ASN A 17 8.651 -3.781 -7.601 1.00 0.00 H new ATOM 0 HB3 ASN A 17 9.044 -5.485 -7.719 1.00 0.00 H new ATOM 0 HD21 ASN A 17 6.979 -5.970 -10.461 1.00 0.00 H new ATOM 0 HD22 ASN A 17 8.478 -6.283 -9.580 1.00 0.00 H new ATOM 251 N THR A 18 9.372 -4.263 -4.826 1.00 0.00 N ATOM 252 CA THR A 18 10.453 -4.391 -3.864 1.00 0.00 C ATOM 253 C THR A 18 9.917 -4.898 -2.524 1.00 0.00 C ATOM 254 O THR A 18 10.324 -5.958 -2.050 1.00 0.00 O ATOM 255 CB THR A 18 11.158 -3.037 -3.763 1.00 0.00 C ATOM 256 OG1 THR A 18 11.797 -2.883 -5.028 1.00 0.00 O ATOM 257 CG2 THR A 18 12.314 -3.052 -2.761 1.00 0.00 C ATOM 0 H THR A 18 9.217 -3.315 -5.170 1.00 0.00 H new ATOM 0 HA THR A 18 11.184 -5.132 -4.187 1.00 0.00 H new ATOM 0 HB THR A 18 10.437 -2.273 -3.473 1.00 0.00 H new ATOM 0 HG1 THR A 18 11.382 -2.142 -5.516 1.00 0.00 H new ATOM 0 HG21 THR A 18 12.780 -2.067 -2.728 1.00 0.00 H new ATOM 0 HG22 THR A 18 11.935 -3.307 -1.772 1.00 0.00 H new ATOM 0 HG23 THR A 18 13.052 -3.792 -3.068 1.00 0.00 H new ATOM 265 N ARG A 19 9.013 -4.118 -1.951 1.00 0.00 N ATOM 266 CA ARG A 19 8.417 -4.475 -0.674 1.00 0.00 C ATOM 267 C ARG A 19 8.080 -5.967 -0.645 1.00 0.00 C ATOM 268 O ARG A 19 8.421 -6.665 0.309 1.00 0.00 O ATOM 269 CB ARG A 19 7.144 -3.667 -0.415 1.00 0.00 C ATOM 270 CG ARG A 19 7.473 -2.197 -0.147 1.00 0.00 C ATOM 271 CD ARG A 19 8.111 -2.021 1.233 1.00 0.00 C ATOM 272 NE ARG A 19 9.116 -0.936 1.191 1.00 0.00 N ATOM 273 CZ ARG A 19 9.975 -0.669 2.185 1.00 0.00 C ATOM 274 NH1 ARG A 19 9.956 -1.406 3.303 1.00 0.00 N ATOM 275 NH2 ARG A 19 10.853 0.336 2.059 1.00 0.00 N ATOM 0 H ARG A 19 8.678 -3.240 -2.347 1.00 0.00 H new ATOM 0 HA ARG A 19 9.143 -4.247 0.106 1.00 0.00 H new ATOM 0 HB2 ARG A 19 6.479 -3.744 -1.275 1.00 0.00 H new ATOM 0 HB3 ARG A 19 6.611 -4.086 0.438 1.00 0.00 H new ATOM 0 HG2 ARG A 19 8.152 -1.827 -0.915 1.00 0.00 H new ATOM 0 HG3 ARG A 19 6.563 -1.600 -0.210 1.00 0.00 H new ATOM 0 HD2 ARG A 19 7.343 -1.788 1.971 1.00 0.00 H new ATOM 0 HD3 ARG A 19 8.582 -2.953 1.546 1.00 0.00 H new ATOM 0 HE ARG A 19 9.158 -0.355 0.354 1.00 0.00 H new ATOM 0 HH11 ARG A 19 9.288 -2.171 3.398 1.00 0.00 H new ATOM 0 HH12 ARG A 19 10.610 -1.203 4.059 1.00 0.00 H new ATOM 0 HH21 ARG A 19 10.867 0.897 1.207 1.00 0.00 H new ATOM 0 HH22 ARG A 19 11.507 0.540 2.815 1.00 0.00 H new ATOM 289 N TYR A 20 7.415 -6.412 -1.700 1.00 0.00 N ATOM 290 CA TYR A 20 7.029 -7.809 -1.807 1.00 0.00 C ATOM 291 C TYR A 20 8.221 -8.730 -1.540 1.00 0.00 C ATOM 292 O TYR A 20 8.107 -9.695 -0.786 1.00 0.00 O ATOM 293 CB TYR A 20 6.559 -8.007 -3.250 1.00 0.00 C ATOM 294 CG TYR A 20 5.891 -9.360 -3.506 1.00 0.00 C ATOM 295 CD1 TYR A 20 4.844 -9.775 -2.709 1.00 0.00 C ATOM 296 CD2 TYR A 20 6.336 -10.165 -4.535 1.00 0.00 C ATOM 297 CE1 TYR A 20 4.215 -11.047 -2.950 1.00 0.00 C ATOM 298 CE2 TYR A 20 5.707 -11.437 -4.777 1.00 0.00 C ATOM 299 CZ TYR A 20 4.678 -11.816 -3.972 1.00 0.00 C ATOM 300 OH TYR A 20 4.084 -13.018 -4.200 1.00 0.00 O ATOM 0 H TYR A 20 7.133 -5.830 -2.489 1.00 0.00 H new ATOM 0 HA TYR A 20 6.255 -8.050 -1.078 1.00 0.00 H new ATOM 0 HB2 TYR A 20 5.857 -7.213 -3.505 1.00 0.00 H new ATOM 0 HB3 TYR A 20 7.414 -7.903 -3.918 1.00 0.00 H new ATOM 0 HD1 TYR A 20 4.496 -9.145 -1.904 1.00 0.00 H new ATOM 0 HD2 TYR A 20 7.156 -9.841 -5.159 1.00 0.00 H new ATOM 0 HE1 TYR A 20 3.394 -11.383 -2.334 1.00 0.00 H new ATOM 0 HE2 TYR A 20 6.044 -12.076 -5.580 1.00 0.00 H new ATOM 0 HH TYR A 20 4.517 -13.458 -4.961 1.00 0.00 H new ATOM 310 N ALA A 21 9.337 -8.399 -2.173 1.00 0.00 N ATOM 311 CA ALA A 21 10.549 -9.184 -2.013 1.00 0.00 C ATOM 312 C ALA A 21 10.781 -9.458 -0.525 1.00 0.00 C ATOM 313 O ALA A 21 10.994 -10.602 -0.127 1.00 0.00 O ATOM 314 CB ALA A 21 11.723 -8.448 -2.660 1.00 0.00 C ATOM 0 H ALA A 21 9.427 -7.598 -2.798 1.00 0.00 H new ATOM 0 HA ALA A 21 10.452 -10.147 -2.515 1.00 0.00 H new ATOM 0 HB1 ALA A 21 12.632 -9.037 -2.540 1.00 0.00 H new ATOM 0 HB2 ALA A 21 11.522 -8.304 -3.721 1.00 0.00 H new ATOM 0 HB3 ALA A 21 11.853 -7.478 -2.180 1.00 0.00 H new ATOM 320 N LYS A 22 10.733 -8.388 0.255 1.00 0.00 N ATOM 321 CA LYS A 22 10.936 -8.499 1.690 1.00 0.00 C ATOM 322 C LYS A 22 9.893 -9.452 2.276 1.00 0.00 C ATOM 323 O LYS A 22 10.144 -10.109 3.285 1.00 0.00 O ATOM 324 CB LYS A 22 10.937 -7.114 2.339 1.00 0.00 C ATOM 325 CG LYS A 22 11.456 -7.183 3.777 1.00 0.00 C ATOM 326 CD LYS A 22 11.623 -5.781 4.368 1.00 0.00 C ATOM 327 CE LYS A 22 12.493 -5.816 5.625 1.00 0.00 C ATOM 328 NZ LYS A 22 11.667 -6.103 6.820 1.00 0.00 N ATOM 0 H LYS A 22 10.557 -7.441 -0.079 1.00 0.00 H new ATOM 0 HA LYS A 22 11.915 -8.927 1.904 1.00 0.00 H new ATOM 0 HB2 LYS A 22 11.560 -6.436 1.756 1.00 0.00 H new ATOM 0 HB3 LYS A 22 9.927 -6.705 2.332 1.00 0.00 H new ATOM 0 HG2 LYS A 22 10.763 -7.760 4.390 1.00 0.00 H new ATOM 0 HG3 LYS A 22 12.412 -7.706 3.798 1.00 0.00 H new ATOM 0 HD2 LYS A 22 12.075 -5.122 3.627 1.00 0.00 H new ATOM 0 HD3 LYS A 22 10.645 -5.366 4.610 1.00 0.00 H new ATOM 0 HE2 LYS A 22 13.266 -6.577 5.518 1.00 0.00 H new ATOM 0 HE3 LYS A 22 13.002 -4.860 5.749 1.00 0.00 H new ATOM 0 HZ1 LYS A 22 12.274 -6.123 7.665 1.00 0.00 H new ATOM 0 HZ2 LYS A 22 10.946 -5.362 6.929 1.00 0.00 H new ATOM 0 HZ3 LYS A 22 11.201 -7.026 6.706 1.00 0.00 H new ATOM 342 N ALA A 23 8.743 -9.497 1.618 1.00 0.00 N ATOM 343 CA ALA A 23 7.661 -10.359 2.061 1.00 0.00 C ATOM 344 C ALA A 23 7.998 -11.811 1.720 1.00 0.00 C ATOM 345 O ALA A 23 7.398 -12.736 2.265 1.00 0.00 O ATOM 346 CB ALA A 23 6.348 -9.900 1.422 1.00 0.00 C ATOM 0 H ALA A 23 8.538 -8.950 0.782 1.00 0.00 H new ATOM 0 HA ALA A 23 7.538 -10.295 3.142 1.00 0.00 H new ATOM 0 HB1 ALA A 23 5.536 -10.547 1.754 1.00 0.00 H new ATOM 0 HB2 ALA A 23 6.138 -8.872 1.719 1.00 0.00 H new ATOM 0 HB3 ALA A 23 6.433 -9.953 0.337 1.00 0.00 H new ATOM 352 N ILE A 24 8.958 -11.967 0.820 1.00 0.00 N ATOM 353 CA ILE A 24 9.383 -13.291 0.400 1.00 0.00 C ATOM 354 C ILE A 24 10.851 -13.495 0.779 1.00 0.00 C ATOM 355 O ILE A 24 11.438 -14.531 0.469 1.00 0.00 O ATOM 356 CB ILE A 24 9.098 -13.498 -1.089 1.00 0.00 C ATOM 357 CG1 ILE A 24 9.649 -12.336 -1.919 1.00 0.00 C ATOM 358 CG2 ILE A 24 7.605 -13.722 -1.336 1.00 0.00 C ATOM 359 CD1 ILE A 24 9.555 -12.638 -3.416 1.00 0.00 C ATOM 0 H ILE A 24 9.454 -11.198 0.370 1.00 0.00 H new ATOM 0 HA ILE A 24 8.809 -14.058 0.920 1.00 0.00 H new ATOM 0 HB ILE A 24 9.616 -14.400 -1.414 1.00 0.00 H new ATOM 0 HG12 ILE A 24 9.093 -11.427 -1.692 1.00 0.00 H new ATOM 0 HG13 ILE A 24 10.688 -12.150 -1.646 1.00 0.00 H new ATOM 0 HG21 ILE A 24 7.430 -13.866 -2.402 1.00 0.00 H new ATOM 0 HG22 ILE A 24 7.275 -14.606 -0.791 1.00 0.00 H new ATOM 0 HG23 ILE A 24 7.045 -12.853 -0.991 1.00 0.00 H new ATOM 0 HD11 ILE A 24 9.953 -11.796 -3.983 1.00 0.00 H new ATOM 0 HD12 ILE A 24 10.132 -13.534 -3.643 1.00 0.00 H new ATOM 0 HD13 ILE A 24 8.512 -12.799 -3.690 1.00 0.00 H new ATOM 371 N GLY A 25 11.402 -12.491 1.445 1.00 0.00 N ATOM 372 CA GLY A 25 12.790 -12.548 1.871 1.00 0.00 C ATOM 373 C GLY A 25 13.736 -12.367 0.682 1.00 0.00 C ATOM 374 O GLY A 25 14.841 -12.907 0.675 1.00 0.00 O ATOM 0 H GLY A 25 10.912 -11.633 1.700 1.00 0.00 H new ATOM 0 HA2 GLY A 25 12.979 -11.771 2.612 1.00 0.00 H new ATOM 0 HA3 GLY A 25 12.987 -13.505 2.355 1.00 0.00 H new ATOM 378 N ILE A 26 13.267 -11.606 -0.296 1.00 0.00 N ATOM 379 CA ILE A 26 14.057 -11.347 -1.488 1.00 0.00 C ATOM 380 C ILE A 26 14.649 -9.939 -1.406 1.00 0.00 C ATOM 381 O ILE A 26 14.035 -9.036 -0.840 1.00 0.00 O ATOM 382 CB ILE A 26 13.222 -11.592 -2.747 1.00 0.00 C ATOM 383 CG1 ILE A 26 12.958 -13.085 -2.948 1.00 0.00 C ATOM 384 CG2 ILE A 26 13.881 -10.956 -3.973 1.00 0.00 C ATOM 385 CD1 ILE A 26 12.792 -13.417 -4.433 1.00 0.00 C ATOM 0 H ILE A 26 12.350 -11.160 -0.287 1.00 0.00 H new ATOM 0 HA ILE A 26 14.895 -12.042 -1.549 1.00 0.00 H new ATOM 0 HB ILE A 26 12.254 -11.109 -2.615 1.00 0.00 H new ATOM 0 HG12 ILE A 26 13.783 -13.663 -2.532 1.00 0.00 H new ATOM 0 HG13 ILE A 26 12.059 -13.376 -2.404 1.00 0.00 H new ATOM 0 HG21 ILE A 26 13.268 -11.144 -4.854 1.00 0.00 H new ATOM 0 HG22 ILE A 26 13.975 -9.881 -3.819 1.00 0.00 H new ATOM 0 HG23 ILE A 26 14.870 -11.389 -4.120 1.00 0.00 H new ATOM 0 HD11 ILE A 26 12.605 -14.485 -4.548 1.00 0.00 H new ATOM 0 HD12 ILE A 26 11.951 -12.856 -4.840 1.00 0.00 H new ATOM 0 HD13 ILE A 26 13.701 -13.148 -4.970 1.00 0.00 H new ATOM 397 N SER A 27 15.834 -9.796 -1.980 1.00 0.00 N ATOM 398 CA SER A 27 16.516 -8.513 -1.980 1.00 0.00 C ATOM 399 C SER A 27 16.052 -7.673 -3.171 1.00 0.00 C ATOM 400 O SER A 27 15.879 -6.461 -3.051 1.00 0.00 O ATOM 401 CB SER A 27 18.035 -8.696 -2.018 1.00 0.00 C ATOM 402 OG SER A 27 18.647 -8.341 -0.781 1.00 0.00 O ATOM 0 H SER A 27 16.340 -10.548 -2.449 1.00 0.00 H new ATOM 0 HA SER A 27 16.263 -7.992 -1.057 1.00 0.00 H new ATOM 0 HB2 SER A 27 18.269 -9.734 -2.253 1.00 0.00 H new ATOM 0 HB3 SER A 27 18.454 -8.085 -2.818 1.00 0.00 H new ATOM 0 HG SER A 27 19.616 -8.473 -0.846 1.00 0.00 H new ATOM 408 N GLU A 28 15.865 -8.351 -4.295 1.00 0.00 N ATOM 409 CA GLU A 28 15.425 -7.682 -5.507 1.00 0.00 C ATOM 410 C GLU A 28 13.898 -7.582 -5.534 1.00 0.00 C ATOM 411 O GLU A 28 13.214 -8.274 -4.781 1.00 0.00 O ATOM 412 CB GLU A 28 15.949 -8.401 -6.751 1.00 0.00 C ATOM 413 CG GLU A 28 15.013 -9.540 -7.162 1.00 0.00 C ATOM 414 CD GLU A 28 15.723 -10.524 -8.093 1.00 0.00 C ATOM 415 OE1 GLU A 28 16.421 -11.411 -7.557 1.00 0.00 O ATOM 416 OE2 GLU A 28 15.551 -10.368 -9.321 1.00 0.00 O ATOM 0 H GLU A 28 16.010 -9.356 -4.391 1.00 0.00 H new ATOM 0 HA GLU A 28 15.836 -6.672 -5.511 1.00 0.00 H new ATOM 0 HB2 GLU A 28 16.046 -7.691 -7.572 1.00 0.00 H new ATOM 0 HB3 GLU A 28 16.945 -8.797 -6.554 1.00 0.00 H new ATOM 0 HG2 GLU A 28 14.660 -10.064 -6.274 1.00 0.00 H new ATOM 0 HG3 GLU A 28 14.134 -9.131 -7.661 1.00 0.00 H new ATOM 423 N PRO A 29 13.396 -6.693 -6.432 1.00 0.00 N ATOM 424 CA PRO A 29 11.963 -6.494 -6.567 1.00 0.00 C ATOM 425 C PRO A 29 11.314 -7.663 -7.310 1.00 0.00 C ATOM 426 O PRO A 29 11.874 -8.175 -8.278 1.00 0.00 O ATOM 427 CB PRO A 29 11.817 -5.170 -7.299 1.00 0.00 C ATOM 428 CG PRO A 29 13.162 -4.906 -7.956 1.00 0.00 C ATOM 429 CD PRO A 29 14.176 -5.856 -7.339 1.00 0.00 C ATOM 0 HA PRO A 29 11.451 -6.461 -5.605 1.00 0.00 H new ATOM 0 HB2 PRO A 29 11.022 -5.221 -8.043 1.00 0.00 H new ATOM 0 HB3 PRO A 29 11.556 -4.368 -6.608 1.00 0.00 H new ATOM 0 HG2 PRO A 29 13.098 -5.062 -9.033 1.00 0.00 H new ATOM 0 HG3 PRO A 29 13.466 -3.871 -7.802 1.00 0.00 H new ATOM 0 HD2 PRO A 29 14.673 -6.455 -8.102 1.00 0.00 H new ATOM 0 HD3 PRO A 29 14.954 -5.312 -6.805 1.00 0.00 H new ATOM 437 N VAL A 30 10.143 -8.052 -6.829 1.00 0.00 N ATOM 438 CA VAL A 30 9.412 -9.151 -7.436 1.00 0.00 C ATOM 439 C VAL A 30 7.992 -8.691 -7.771 1.00 0.00 C ATOM 440 O VAL A 30 7.546 -7.647 -7.297 1.00 0.00 O ATOM 441 CB VAL A 30 9.443 -10.372 -6.514 1.00 0.00 C ATOM 442 CG1 VAL A 30 8.474 -11.451 -7.001 1.00 0.00 C ATOM 443 CG2 VAL A 30 10.863 -10.927 -6.386 1.00 0.00 C ATOM 0 H VAL A 30 9.682 -7.626 -6.025 1.00 0.00 H new ATOM 0 HA VAL A 30 9.884 -9.453 -8.371 1.00 0.00 H new ATOM 0 HB VAL A 30 9.118 -10.052 -5.524 1.00 0.00 H new ATOM 0 HG11 VAL A 30 8.515 -12.308 -6.328 1.00 0.00 H new ATOM 0 HG12 VAL A 30 7.461 -11.050 -7.016 1.00 0.00 H new ATOM 0 HG13 VAL A 30 8.755 -11.765 -8.006 1.00 0.00 H new ATOM 0 HG21 VAL A 30 10.857 -11.794 -5.725 1.00 0.00 H new ATOM 0 HG22 VAL A 30 11.228 -11.223 -7.370 1.00 0.00 H new ATOM 0 HG23 VAL A 30 11.517 -10.160 -5.972 1.00 0.00 H new ATOM 453 N LYS A 31 7.321 -9.492 -8.585 1.00 0.00 N ATOM 454 CA LYS A 31 5.960 -9.180 -8.989 1.00 0.00 C ATOM 455 C LYS A 31 5.028 -9.333 -7.786 1.00 0.00 C ATOM 456 O LYS A 31 5.230 -10.209 -6.946 1.00 0.00 O ATOM 457 CB LYS A 31 5.552 -10.028 -10.195 1.00 0.00 C ATOM 458 CG LYS A 31 6.373 -9.654 -11.431 1.00 0.00 C ATOM 459 CD LYS A 31 5.826 -10.344 -12.682 1.00 0.00 C ATOM 460 CE LYS A 31 6.762 -11.462 -13.146 1.00 0.00 C ATOM 461 NZ LYS A 31 6.190 -12.165 -14.316 1.00 0.00 N ATOM 0 H LYS A 31 7.694 -10.357 -8.976 1.00 0.00 H new ATOM 0 HA LYS A 31 5.888 -8.143 -9.318 1.00 0.00 H new ATOM 0 HB2 LYS A 31 5.693 -11.084 -9.966 1.00 0.00 H new ATOM 0 HB3 LYS A 31 4.491 -9.886 -10.402 1.00 0.00 H new ATOM 0 HG2 LYS A 31 6.355 -8.573 -11.570 1.00 0.00 H new ATOM 0 HG3 LYS A 31 7.414 -9.939 -11.280 1.00 0.00 H new ATOM 0 HD2 LYS A 31 4.839 -10.755 -12.472 1.00 0.00 H new ATOM 0 HD3 LYS A 31 5.704 -9.613 -13.481 1.00 0.00 H new ATOM 0 HE2 LYS A 31 7.735 -11.045 -13.405 1.00 0.00 H new ATOM 0 HE3 LYS A 31 6.924 -12.169 -12.333 1.00 0.00 H new ATOM 0 HZ1 LYS A 31 6.838 -12.920 -14.618 1.00 0.00 H new ATOM 0 HZ2 LYS A 31 5.272 -12.579 -14.057 1.00 0.00 H new ATOM 0 HZ3 LYS A 31 6.058 -11.490 -15.096 1.00 0.00 H new ATOM 475 N VAL A 32 4.026 -8.467 -7.740 1.00 0.00 N ATOM 476 CA VAL A 32 3.062 -8.495 -6.653 1.00 0.00 C ATOM 477 C VAL A 32 1.744 -9.083 -7.162 1.00 0.00 C ATOM 478 O VAL A 32 1.112 -8.520 -8.054 1.00 0.00 O ATOM 479 CB VAL A 32 2.901 -7.094 -6.060 1.00 0.00 C ATOM 480 CG1 VAL A 32 1.559 -6.954 -5.339 1.00 0.00 C ATOM 481 CG2 VAL A 32 4.064 -6.759 -5.123 1.00 0.00 C ATOM 0 H VAL A 32 3.861 -7.742 -8.438 1.00 0.00 H new ATOM 0 HA VAL A 32 3.415 -9.137 -5.846 1.00 0.00 H new ATOM 0 HB VAL A 32 2.915 -6.379 -6.882 1.00 0.00 H new ATOM 0 HG11 VAL A 32 1.470 -5.949 -4.927 1.00 0.00 H new ATOM 0 HG12 VAL A 32 0.747 -7.130 -6.044 1.00 0.00 H new ATOM 0 HG13 VAL A 32 1.502 -7.684 -4.531 1.00 0.00 H new ATOM 0 HG21 VAL A 32 3.926 -5.758 -4.715 1.00 0.00 H new ATOM 0 HG22 VAL A 32 4.095 -7.482 -4.308 1.00 0.00 H new ATOM 0 HG23 VAL A 32 5.001 -6.798 -5.678 1.00 0.00 H new ATOM 491 N PRO A 33 1.358 -10.238 -6.557 1.00 0.00 N ATOM 492 CA PRO A 33 0.127 -10.909 -6.939 1.00 0.00 C ATOM 493 C PRO A 33 -1.094 -10.171 -6.385 1.00 0.00 C ATOM 494 O PRO A 33 -1.818 -10.704 -5.546 1.00 0.00 O ATOM 495 CB PRO A 33 0.264 -12.322 -6.395 1.00 0.00 C ATOM 496 CG PRO A 33 1.351 -12.257 -5.335 1.00 0.00 C ATOM 497 CD PRO A 33 2.082 -10.934 -5.496 1.00 0.00 C ATOM 0 HA PRO A 33 -0.026 -10.925 -8.018 1.00 0.00 H new ATOM 0 HB2 PRO A 33 -0.677 -12.669 -5.969 1.00 0.00 H new ATOM 0 HB3 PRO A 33 0.532 -13.021 -7.187 1.00 0.00 H new ATOM 0 HG2 PRO A 33 0.917 -12.334 -4.338 1.00 0.00 H new ATOM 0 HG3 PRO A 33 2.043 -13.091 -5.447 1.00 0.00 H new ATOM 0 HD2 PRO A 33 2.073 -10.361 -4.569 1.00 0.00 H new ATOM 0 HD3 PRO A 33 3.127 -11.089 -5.765 1.00 0.00 H new ATOM 505 N TYR A 34 -1.284 -8.956 -6.878 1.00 0.00 N ATOM 506 CA TYR A 34 -2.404 -8.139 -6.443 1.00 0.00 C ATOM 507 C TYR A 34 -3.637 -9.003 -6.166 1.00 0.00 C ATOM 508 O TYR A 34 -4.189 -8.969 -5.067 1.00 0.00 O ATOM 509 CB TYR A 34 -2.711 -7.192 -7.604 1.00 0.00 C ATOM 510 CG TYR A 34 -1.629 -6.138 -7.850 1.00 0.00 C ATOM 511 CD1 TYR A 34 -0.966 -5.568 -6.782 1.00 0.00 C ATOM 512 CD2 TYR A 34 -1.317 -5.757 -9.139 1.00 0.00 C ATOM 513 CE1 TYR A 34 0.052 -4.577 -7.013 1.00 0.00 C ATOM 514 CE2 TYR A 34 -0.299 -4.765 -9.370 1.00 0.00 C ATOM 515 CZ TYR A 34 0.336 -4.224 -8.295 1.00 0.00 C ATOM 516 OH TYR A 34 1.297 -3.288 -8.514 1.00 0.00 O ATOM 0 H TYR A 34 -0.681 -8.518 -7.574 1.00 0.00 H new ATOM 0 HA TYR A 34 -2.158 -7.607 -5.524 1.00 0.00 H new ATOM 0 HB2 TYR A 34 -2.845 -7.779 -8.513 1.00 0.00 H new ATOM 0 HB3 TYR A 34 -3.657 -6.688 -7.408 1.00 0.00 H new ATOM 0 HD1 TYR A 34 -1.211 -5.866 -5.773 1.00 0.00 H new ATOM 0 HD2 TYR A 34 -1.836 -6.203 -9.975 1.00 0.00 H new ATOM 0 HE1 TYR A 34 0.579 -4.124 -6.186 1.00 0.00 H new ATOM 0 HE2 TYR A 34 -0.045 -4.457 -10.374 1.00 0.00 H new ATOM 0 HH TYR A 34 1.393 -3.137 -9.478 1.00 0.00 H new ATOM 526 N SER A 35 -4.033 -9.756 -7.181 1.00 0.00 N ATOM 527 CA SER A 35 -5.189 -10.627 -7.061 1.00 0.00 C ATOM 528 C SER A 35 -5.163 -11.349 -5.712 1.00 0.00 C ATOM 529 O SER A 35 -6.123 -11.275 -4.946 1.00 0.00 O ATOM 530 CB SER A 35 -5.237 -11.642 -8.205 1.00 0.00 C ATOM 531 OG SER A 35 -4.650 -11.129 -9.398 1.00 0.00 O ATOM 0 H SER A 35 -3.573 -9.781 -8.091 1.00 0.00 H new ATOM 0 HA SER A 35 -6.087 -10.012 -7.120 1.00 0.00 H new ATOM 0 HB2 SER A 35 -4.715 -12.551 -7.906 1.00 0.00 H new ATOM 0 HB3 SER A 35 -6.273 -11.919 -8.401 1.00 0.00 H new ATOM 0 HG SER A 35 -4.698 -11.807 -10.104 1.00 0.00 H new ATOM 537 N LYS A 36 -4.054 -12.030 -5.463 1.00 0.00 N ATOM 538 CA LYS A 36 -3.891 -12.764 -4.220 1.00 0.00 C ATOM 539 C LYS A 36 -4.248 -11.854 -3.043 1.00 0.00 C ATOM 540 O LYS A 36 -4.898 -12.287 -2.093 1.00 0.00 O ATOM 541 CB LYS A 36 -2.484 -13.360 -4.131 1.00 0.00 C ATOM 542 CG LYS A 36 -2.225 -14.329 -5.286 1.00 0.00 C ATOM 543 CD LYS A 36 -3.009 -15.628 -5.098 1.00 0.00 C ATOM 544 CE LYS A 36 -3.097 -16.410 -6.410 1.00 0.00 C ATOM 545 NZ LYS A 36 -4.504 -16.750 -6.718 1.00 0.00 N ATOM 0 H LYS A 36 -3.260 -12.089 -6.101 1.00 0.00 H new ATOM 0 HA LYS A 36 -4.575 -13.612 -4.186 1.00 0.00 H new ATOM 0 HB2 LYS A 36 -1.744 -12.560 -4.150 1.00 0.00 H new ATOM 0 HB3 LYS A 36 -2.365 -13.881 -3.181 1.00 0.00 H new ATOM 0 HG2 LYS A 36 -2.510 -13.861 -6.228 1.00 0.00 H new ATOM 0 HG3 LYS A 36 -1.159 -14.549 -5.349 1.00 0.00 H new ATOM 0 HD2 LYS A 36 -2.527 -16.241 -4.337 1.00 0.00 H new ATOM 0 HD3 LYS A 36 -4.012 -15.402 -4.737 1.00 0.00 H new ATOM 0 HE2 LYS A 36 -2.674 -15.818 -7.222 1.00 0.00 H new ATOM 0 HE3 LYS A 36 -2.504 -17.322 -6.337 1.00 0.00 H new ATOM 0 HZ1 LYS A 36 -4.532 -17.446 -7.491 1.00 0.00 H new ATOM 0 HZ2 LYS A 36 -4.957 -17.153 -5.873 1.00 0.00 H new ATOM 0 HZ3 LYS A 36 -5.013 -15.891 -7.007 1.00 0.00 H new ATOM 559 N PHE A 37 -3.809 -10.608 -3.146 1.00 0.00 N ATOM 560 CA PHE A 37 -4.075 -9.632 -2.102 1.00 0.00 C ATOM 561 C PHE A 37 -5.497 -9.081 -2.217 1.00 0.00 C ATOM 562 O PHE A 37 -6.051 -8.574 -1.242 1.00 0.00 O ATOM 563 CB PHE A 37 -3.079 -8.487 -2.296 1.00 0.00 C ATOM 564 CG PHE A 37 -1.673 -8.790 -1.775 1.00 0.00 C ATOM 565 CD1 PHE A 37 -0.858 -9.632 -2.465 1.00 0.00 C ATOM 566 CD2 PHE A 37 -1.237 -8.216 -0.621 1.00 0.00 C ATOM 567 CE1 PHE A 37 0.447 -9.913 -1.981 1.00 0.00 C ATOM 568 CE2 PHE A 37 0.068 -8.497 -0.137 1.00 0.00 C ATOM 569 CZ PHE A 37 0.882 -9.340 -0.827 1.00 0.00 C ATOM 0 H PHE A 37 -3.271 -10.252 -3.936 1.00 0.00 H new ATOM 0 HA PHE A 37 -3.973 -10.098 -1.122 1.00 0.00 H new ATOM 0 HB2 PHE A 37 -3.018 -8.248 -3.358 1.00 0.00 H new ATOM 0 HB3 PHE A 37 -3.459 -7.599 -1.791 1.00 0.00 H new ATOM 0 HD1 PHE A 37 -1.203 -10.087 -3.381 1.00 0.00 H new ATOM 0 HD2 PHE A 37 -1.884 -7.547 -0.073 1.00 0.00 H new ATOM 0 HE1 PHE A 37 1.094 -10.582 -2.529 1.00 0.00 H new ATOM 0 HE2 PHE A 37 0.414 -8.041 0.779 1.00 0.00 H new ATOM 0 HZ PHE A 37 1.874 -9.554 -0.458 1.00 0.00 H new ATOM 579 N LEU A 38 -6.048 -9.198 -3.416 1.00 0.00 N ATOM 580 CA LEU A 38 -7.396 -8.718 -3.671 1.00 0.00 C ATOM 581 C LEU A 38 -8.405 -9.741 -3.146 1.00 0.00 C ATOM 582 O LEU A 38 -9.255 -9.413 -2.320 1.00 0.00 O ATOM 583 CB LEU A 38 -7.574 -8.382 -5.153 1.00 0.00 C ATOM 584 CG LEU A 38 -6.732 -7.220 -5.683 1.00 0.00 C ATOM 585 CD1 LEU A 38 -6.920 -7.049 -7.192 1.00 0.00 C ATOM 586 CD2 LEU A 38 -7.035 -5.929 -4.918 1.00 0.00 C ATOM 0 H LEU A 38 -5.585 -9.618 -4.222 1.00 0.00 H new ATOM 0 HA LEU A 38 -7.577 -7.787 -3.134 1.00 0.00 H new ATOM 0 HB2 LEU A 38 -7.339 -9.271 -5.738 1.00 0.00 H new ATOM 0 HB3 LEU A 38 -8.625 -8.153 -5.330 1.00 0.00 H new ATOM 0 HG LEU A 38 -5.681 -7.456 -5.514 1.00 0.00 H new ATOM 0 HD11 LEU A 38 -6.310 -6.216 -7.543 1.00 0.00 H new ATOM 0 HD12 LEU A 38 -6.615 -7.962 -7.703 1.00 0.00 H new ATOM 0 HD13 LEU A 38 -7.969 -6.846 -7.407 1.00 0.00 H new ATOM 0 HD21 LEU A 38 -6.423 -5.119 -5.315 1.00 0.00 H new ATOM 0 HD22 LEU A 38 -8.089 -5.677 -5.033 1.00 0.00 H new ATOM 0 HD23 LEU A 38 -6.809 -6.071 -3.861 1.00 0.00 H new ATOM 598 N MET A 39 -8.279 -10.960 -3.649 1.00 0.00 N ATOM 599 CA MET A 39 -9.169 -12.034 -3.242 1.00 0.00 C ATOM 600 C MET A 39 -8.909 -12.441 -1.790 1.00 0.00 C ATOM 601 O MET A 39 -9.784 -13.001 -1.132 1.00 0.00 O ATOM 602 CB MET A 39 -8.964 -13.243 -4.156 1.00 0.00 C ATOM 603 CG MET A 39 -9.151 -12.857 -5.625 1.00 0.00 C ATOM 604 SD MET A 39 -9.143 -14.321 -6.646 1.00 0.00 S ATOM 605 CE MET A 39 -7.390 -14.649 -6.704 1.00 0.00 C ATOM 0 H MET A 39 -7.574 -11.228 -4.335 1.00 0.00 H new ATOM 0 HA MET A 39 -10.196 -11.678 -3.322 1.00 0.00 H new ATOM 0 HB2 MET A 39 -7.964 -13.650 -4.008 1.00 0.00 H new ATOM 0 HB3 MET A 39 -9.671 -14.029 -3.890 1.00 0.00 H new ATOM 0 HG2 MET A 39 -10.091 -12.320 -5.752 1.00 0.00 H new ATOM 0 HG3 MET A 39 -8.354 -12.182 -5.937 1.00 0.00 H new ATOM 0 HE1 MET A 39 -7.048 -14.619 -7.739 1.00 0.00 H new ATOM 0 HE2 MET A 39 -6.859 -13.894 -6.125 1.00 0.00 H new ATOM 0 HE3 MET A 39 -7.190 -15.635 -6.284 1.00 0.00 H new ATOM 615 N HIS A 40 -7.701 -12.144 -1.333 1.00 0.00 N ATOM 616 CA HIS A 40 -7.314 -12.473 0.028 1.00 0.00 C ATOM 617 C HIS A 40 -6.692 -11.245 0.695 1.00 0.00 C ATOM 618 O HIS A 40 -5.493 -11.225 0.972 1.00 0.00 O ATOM 619 CB HIS A 40 -6.391 -13.693 0.051 1.00 0.00 C ATOM 620 CG HIS A 40 -6.777 -14.775 -0.928 1.00 0.00 C ATOM 621 ND1 HIS A 40 -7.536 -15.875 -0.569 1.00 0.00 N ATOM 622 CD2 HIS A 40 -6.504 -14.913 -2.257 1.00 0.00 C ATOM 623 CE1 HIS A 40 -7.704 -16.635 -1.641 1.00 0.00 C ATOM 624 NE2 HIS A 40 -7.064 -16.037 -2.686 1.00 0.00 N ATOM 0 H HIS A 40 -6.978 -11.679 -1.881 1.00 0.00 H new ATOM 0 HA HIS A 40 -8.197 -12.748 0.605 1.00 0.00 H new ATOM 0 HB2 HIS A 40 -5.373 -13.369 -0.164 1.00 0.00 H new ATOM 0 HB3 HIS A 40 -6.386 -14.113 1.057 1.00 0.00 H new ATOM 0 HD2 HIS A 40 -5.929 -14.224 -2.858 1.00 0.00 H new ATOM 0 HE1 HIS A 40 -8.252 -17.565 -1.680 1.00 0.00 H new ATOM 0 HE2 HIS A 40 -7.023 -16.395 -3.640 1.00 0.00 H new ATOM 632 N PRO A 41 -7.556 -10.224 0.941 1.00 0.00 N ATOM 633 CA PRO A 41 -7.104 -8.996 1.571 1.00 0.00 C ATOM 634 C PRO A 41 -6.867 -9.202 3.069 1.00 0.00 C ATOM 635 O PRO A 41 -6.115 -8.453 3.691 1.00 0.00 O ATOM 636 CB PRO A 41 -8.194 -7.978 1.277 1.00 0.00 C ATOM 637 CG PRO A 41 -9.426 -8.785 0.898 1.00 0.00 C ATOM 638 CD PRO A 41 -8.982 -10.213 0.628 1.00 0.00 C ATOM 0 HA PRO A 41 -6.144 -8.655 1.184 1.00 0.00 H new ATOM 0 HB2 PRO A 41 -8.389 -7.352 2.148 1.00 0.00 H new ATOM 0 HB3 PRO A 41 -7.898 -7.312 0.466 1.00 0.00 H new ATOM 0 HG2 PRO A 41 -10.161 -8.759 1.702 1.00 0.00 H new ATOM 0 HG3 PRO A 41 -9.904 -8.360 0.015 1.00 0.00 H new ATOM 0 HD2 PRO A 41 -9.529 -10.922 1.249 1.00 0.00 H new ATOM 0 HD3 PRO A 41 -9.162 -10.494 -0.410 1.00 0.00 H new ATOM 646 N GLU A 42 -7.522 -10.221 3.604 1.00 0.00 N ATOM 647 CA GLU A 42 -7.392 -10.535 5.017 1.00 0.00 C ATOM 648 C GLU A 42 -6.114 -11.339 5.266 1.00 0.00 C ATOM 649 O GLU A 42 -5.498 -11.220 6.324 1.00 0.00 O ATOM 650 CB GLU A 42 -8.622 -11.289 5.526 1.00 0.00 C ATOM 651 CG GLU A 42 -9.610 -10.334 6.200 1.00 0.00 C ATOM 652 CD GLU A 42 -9.709 -10.617 7.700 1.00 0.00 C ATOM 653 OE1 GLU A 42 -8.637 -10.801 8.315 1.00 0.00 O ATOM 654 OE2 GLU A 42 -10.856 -10.643 8.198 1.00 0.00 O ATOM 0 H GLU A 42 -8.144 -10.840 3.085 1.00 0.00 H new ATOM 0 HA GLU A 42 -7.324 -9.600 5.573 1.00 0.00 H new ATOM 0 HB2 GLU A 42 -9.111 -11.797 4.695 1.00 0.00 H new ATOM 0 HB3 GLU A 42 -8.314 -12.059 6.234 1.00 0.00 H new ATOM 0 HG2 GLU A 42 -9.292 -9.304 6.041 1.00 0.00 H new ATOM 0 HG3 GLU A 42 -10.593 -10.438 5.741 1.00 0.00 H new ATOM 661 N GLU A 43 -5.754 -12.141 4.274 1.00 0.00 N ATOM 662 CA GLU A 43 -4.561 -12.964 4.373 1.00 0.00 C ATOM 663 C GLU A 43 -3.338 -12.187 3.882 1.00 0.00 C ATOM 664 O GLU A 43 -2.328 -12.106 4.580 1.00 0.00 O ATOM 665 CB GLU A 43 -4.730 -14.270 3.594 1.00 0.00 C ATOM 666 CG GLU A 43 -5.687 -15.220 4.318 1.00 0.00 C ATOM 667 CD GLU A 43 -7.108 -14.653 4.343 1.00 0.00 C ATOM 668 OE1 GLU A 43 -7.781 -14.765 3.296 1.00 0.00 O ATOM 669 OE2 GLU A 43 -7.488 -14.122 5.408 1.00 0.00 O ATOM 0 H GLU A 43 -6.268 -12.238 3.398 1.00 0.00 H new ATOM 0 HA GLU A 43 -4.407 -13.222 5.421 1.00 0.00 H new ATOM 0 HB2 GLU A 43 -5.111 -14.055 2.596 1.00 0.00 H new ATOM 0 HB3 GLU A 43 -3.760 -14.751 3.469 1.00 0.00 H new ATOM 0 HG2 GLU A 43 -5.687 -16.190 3.821 1.00 0.00 H new ATOM 0 HG3 GLU A 43 -5.339 -15.385 5.338 1.00 0.00 H new ATOM 676 N LEU A 44 -3.469 -11.636 2.684 1.00 0.00 N ATOM 677 CA LEU A 44 -2.386 -10.868 2.092 1.00 0.00 C ATOM 678 C LEU A 44 -2.807 -9.401 1.985 1.00 0.00 C ATOM 679 O LEU A 44 -3.800 -9.082 1.332 1.00 0.00 O ATOM 680 CB LEU A 44 -1.960 -11.485 0.758 1.00 0.00 C ATOM 681 CG LEU A 44 -2.046 -13.010 0.666 1.00 0.00 C ATOM 682 CD1 LEU A 44 -2.024 -13.473 -0.792 1.00 0.00 C ATOM 683 CD2 LEU A 44 -0.944 -13.672 1.495 1.00 0.00 C ATOM 0 H LEU A 44 -4.308 -11.706 2.108 1.00 0.00 H new ATOM 0 HA LEU A 44 -1.502 -10.901 2.729 1.00 0.00 H new ATOM 0 HB2 LEU A 44 -2.579 -11.058 -0.031 1.00 0.00 H new ATOM 0 HB3 LEU A 44 -0.932 -11.186 0.554 1.00 0.00 H new ATOM 0 HG LEU A 44 -3.000 -13.325 1.089 1.00 0.00 H new ATOM 0 HD11 LEU A 44 -2.086 -14.561 -0.829 1.00 0.00 H new ATOM 0 HD12 LEU A 44 -2.873 -13.042 -1.323 1.00 0.00 H new ATOM 0 HD13 LEU A 44 -1.097 -13.146 -1.264 1.00 0.00 H new ATOM 0 HD21 LEU A 44 -1.028 -14.756 1.412 1.00 0.00 H new ATOM 0 HD22 LEU A 44 0.031 -13.354 1.125 1.00 0.00 H new ATOM 0 HD23 LEU A 44 -1.049 -13.379 2.540 1.00 0.00 H new ATOM 695 N PHE A 45 -2.030 -8.547 2.635 1.00 0.00 N ATOM 696 CA PHE A 45 -2.309 -7.121 2.621 1.00 0.00 C ATOM 697 C PHE A 45 -1.022 -6.309 2.771 1.00 0.00 C ATOM 698 O PHE A 45 0.069 -6.874 2.843 1.00 0.00 O ATOM 699 CB PHE A 45 -3.223 -6.832 3.814 1.00 0.00 C ATOM 700 CG PHE A 45 -2.620 -7.218 5.166 1.00 0.00 C ATOM 701 CD1 PHE A 45 -1.766 -6.368 5.797 1.00 0.00 C ATOM 702 CD2 PHE A 45 -2.939 -8.410 5.737 1.00 0.00 C ATOM 703 CE1 PHE A 45 -1.207 -6.726 7.053 1.00 0.00 C ATOM 704 CE2 PHE A 45 -2.380 -8.768 6.993 1.00 0.00 C ATOM 705 CZ PHE A 45 -1.526 -7.918 7.624 1.00 0.00 C ATOM 0 H PHE A 45 -1.207 -8.815 3.175 1.00 0.00 H new ATOM 0 HA PHE A 45 -2.774 -6.842 1.675 1.00 0.00 H new ATOM 0 HB2 PHE A 45 -3.464 -5.769 3.825 1.00 0.00 H new ATOM 0 HB3 PHE A 45 -4.161 -7.370 3.679 1.00 0.00 H new ATOM 0 HD1 PHE A 45 -1.513 -5.421 5.343 1.00 0.00 H new ATOM 0 HD2 PHE A 45 -3.617 -9.085 5.236 1.00 0.00 H new ATOM 0 HE1 PHE A 45 -0.529 -6.051 7.554 1.00 0.00 H new ATOM 0 HE2 PHE A 45 -2.633 -9.715 7.447 1.00 0.00 H new ATOM 0 HZ PHE A 45 -1.101 -8.190 8.579 1.00 0.00 H new ATOM 715 N VAL A 46 -1.190 -4.995 2.813 1.00 0.00 N ATOM 716 CA VAL A 46 -0.055 -4.099 2.954 1.00 0.00 C ATOM 717 C VAL A 46 -0.332 -3.104 4.082 1.00 0.00 C ATOM 718 O VAL A 46 -1.455 -2.622 4.228 1.00 0.00 O ATOM 719 CB VAL A 46 0.243 -3.418 1.616 1.00 0.00 C ATOM 720 CG1 VAL A 46 1.359 -2.382 1.765 1.00 0.00 C ATOM 721 CG2 VAL A 46 0.592 -4.450 0.542 1.00 0.00 C ATOM 0 H VAL A 46 -2.096 -4.530 2.752 1.00 0.00 H new ATOM 0 HA VAL A 46 0.840 -4.658 3.227 1.00 0.00 H new ATOM 0 HB VAL A 46 -0.659 -2.895 1.297 1.00 0.00 H new ATOM 0 HG11 VAL A 46 1.551 -1.913 0.800 1.00 0.00 H new ATOM 0 HG12 VAL A 46 1.056 -1.621 2.484 1.00 0.00 H new ATOM 0 HG13 VAL A 46 2.266 -2.873 2.117 1.00 0.00 H new ATOM 0 HG21 VAL A 46 0.799 -3.940 -0.399 1.00 0.00 H new ATOM 0 HG22 VAL A 46 1.472 -5.013 0.851 1.00 0.00 H new ATOM 0 HG23 VAL A 46 -0.247 -5.133 0.407 1.00 0.00 H new ATOM 731 N VAL A 47 0.709 -2.826 4.852 1.00 0.00 N ATOM 732 CA VAL A 47 0.592 -1.896 5.963 1.00 0.00 C ATOM 733 C VAL A 47 1.560 -0.731 5.752 1.00 0.00 C ATOM 734 O VAL A 47 2.591 -0.886 5.099 1.00 0.00 O ATOM 735 CB VAL A 47 0.819 -2.631 7.286 1.00 0.00 C ATOM 736 CG1 VAL A 47 -0.344 -3.575 7.596 1.00 0.00 C ATOM 737 CG2 VAL A 47 2.150 -3.387 7.272 1.00 0.00 C ATOM 0 H VAL A 47 1.638 -3.228 4.729 1.00 0.00 H new ATOM 0 HA VAL A 47 -0.414 -1.478 6.007 1.00 0.00 H new ATOM 0 HB VAL A 47 0.865 -1.885 8.079 1.00 0.00 H new ATOM 0 HG11 VAL A 47 -0.157 -4.084 8.541 1.00 0.00 H new ATOM 0 HG12 VAL A 47 -1.268 -3.002 7.669 1.00 0.00 H new ATOM 0 HG13 VAL A 47 -0.437 -4.312 6.799 1.00 0.00 H new ATOM 0 HG21 VAL A 47 2.287 -3.901 8.224 1.00 0.00 H new ATOM 0 HG22 VAL A 47 2.145 -4.117 6.463 1.00 0.00 H new ATOM 0 HG23 VAL A 47 2.967 -2.682 7.119 1.00 0.00 H new ATOM 747 N GLY A 48 1.195 0.410 6.318 1.00 0.00 N ATOM 748 CA GLY A 48 2.018 1.601 6.200 1.00 0.00 C ATOM 749 C GLY A 48 1.446 2.563 5.156 1.00 0.00 C ATOM 750 O GLY A 48 1.701 3.765 5.208 1.00 0.00 O ATOM 0 H GLY A 48 0.340 0.535 6.860 1.00 0.00 H new ATOM 0 HA2 GLY A 48 2.079 2.102 7.166 1.00 0.00 H new ATOM 0 HA3 GLY A 48 3.034 1.319 5.922 1.00 0.00 H new ATOM 754 N LEU A 49 0.682 1.997 4.233 1.00 0.00 N ATOM 755 CA LEU A 49 0.071 2.789 3.179 1.00 0.00 C ATOM 756 C LEU A 49 -0.477 4.087 3.775 1.00 0.00 C ATOM 757 O LEU A 49 -0.777 4.150 4.966 1.00 0.00 O ATOM 758 CB LEU A 49 -0.979 1.965 2.430 1.00 0.00 C ATOM 759 CG LEU A 49 -0.439 0.956 1.415 1.00 0.00 C ATOM 760 CD1 LEU A 49 -1.489 -0.109 1.091 1.00 0.00 C ATOM 761 CD2 LEU A 49 0.068 1.662 0.156 1.00 0.00 C ATOM 0 H LEU A 49 0.472 1.000 4.193 1.00 0.00 H new ATOM 0 HA LEU A 49 0.815 3.069 2.433 1.00 0.00 H new ATOM 0 HB2 LEU A 49 -1.581 1.427 3.163 1.00 0.00 H new ATOM 0 HB3 LEU A 49 -1.648 2.651 1.910 1.00 0.00 H new ATOM 0 HG LEU A 49 0.413 0.444 1.862 1.00 0.00 H new ATOM 0 HD11 LEU A 49 -1.081 -0.814 0.367 1.00 0.00 H new ATOM 0 HD12 LEU A 49 -1.761 -0.641 2.003 1.00 0.00 H new ATOM 0 HD13 LEU A 49 -2.375 0.369 0.672 1.00 0.00 H new ATOM 0 HD21 LEU A 49 0.446 0.922 -0.549 1.00 0.00 H new ATOM 0 HD22 LEU A 49 -0.750 2.217 -0.304 1.00 0.00 H new ATOM 0 HD23 LEU A 49 0.869 2.351 0.423 1.00 0.00 H new ATOM 773 N PRO A 50 -0.593 5.119 2.896 1.00 0.00 N ATOM 774 CA PRO A 50 -1.100 6.412 3.323 1.00 0.00 C ATOM 775 C PRO A 50 -2.616 6.368 3.526 1.00 0.00 C ATOM 776 O PRO A 50 -3.232 5.311 3.399 1.00 0.00 O ATOM 777 CB PRO A 50 -0.675 7.381 2.231 1.00 0.00 C ATOM 778 CG PRO A 50 -0.355 6.525 1.016 1.00 0.00 C ATOM 779 CD PRO A 50 -0.248 5.081 1.478 1.00 0.00 C ATOM 0 HA PRO A 50 -0.702 6.721 4.289 1.00 0.00 H new ATOM 0 HB2 PRO A 50 -1.470 8.093 2.009 1.00 0.00 H new ATOM 0 HB3 PRO A 50 0.195 7.961 2.540 1.00 0.00 H new ATOM 0 HG2 PRO A 50 -1.134 6.627 0.261 1.00 0.00 H new ATOM 0 HG3 PRO A 50 0.579 6.849 0.556 1.00 0.00 H new ATOM 0 HD2 PRO A 50 -0.928 4.436 0.922 1.00 0.00 H new ATOM 0 HD3 PRO A 50 0.758 4.690 1.326 1.00 0.00 H new ATOM 787 N GLU A 51 -3.173 7.529 3.838 1.00 0.00 N ATOM 788 CA GLU A 51 -4.605 7.636 4.059 1.00 0.00 C ATOM 789 C GLU A 51 -5.345 7.706 2.722 1.00 0.00 C ATOM 790 O GLU A 51 -4.913 8.403 1.805 1.00 0.00 O ATOM 791 CB GLU A 51 -4.936 8.847 4.933 1.00 0.00 C ATOM 792 CG GLU A 51 -4.551 10.151 4.231 1.00 0.00 C ATOM 793 CD GLU A 51 -3.716 11.044 5.152 1.00 0.00 C ATOM 794 OE1 GLU A 51 -2.561 10.652 5.428 1.00 0.00 O ATOM 795 OE2 GLU A 51 -4.252 12.097 5.559 1.00 0.00 O ATOM 0 H GLU A 51 -2.659 8.403 3.943 1.00 0.00 H new ATOM 0 HA GLU A 51 -4.938 6.744 4.590 1.00 0.00 H new ATOM 0 HB2 GLU A 51 -6.002 8.854 5.162 1.00 0.00 H new ATOM 0 HB3 GLU A 51 -4.406 8.771 5.882 1.00 0.00 H new ATOM 0 HG2 GLU A 51 -3.987 9.928 3.326 1.00 0.00 H new ATOM 0 HG3 GLU A 51 -5.452 10.682 3.923 1.00 0.00 H new ATOM 802 N GLY A 52 -6.447 6.974 2.653 1.00 0.00 N ATOM 803 CA GLY A 52 -7.252 6.945 1.443 1.00 0.00 C ATOM 804 C GLY A 52 -6.511 6.232 0.310 1.00 0.00 C ATOM 805 O GLY A 52 -6.682 6.574 -0.860 1.00 0.00 O ATOM 0 H GLY A 52 -6.802 6.396 3.415 1.00 0.00 H new ATOM 0 HA2 GLY A 52 -8.196 6.437 1.642 1.00 0.00 H new ATOM 0 HA3 GLY A 52 -7.496 7.963 1.139 1.00 0.00 H new ATOM 809 N ILE A 53 -5.705 5.254 0.695 1.00 0.00 N ATOM 810 CA ILE A 53 -4.937 4.490 -0.274 1.00 0.00 C ATOM 811 C ILE A 53 -4.767 3.057 0.233 1.00 0.00 C ATOM 812 O ILE A 53 -4.534 2.838 1.421 1.00 0.00 O ATOM 813 CB ILE A 53 -3.615 5.194 -0.585 1.00 0.00 C ATOM 814 CG1 ILE A 53 -3.851 6.653 -0.983 1.00 0.00 C ATOM 815 CG2 ILE A 53 -2.825 4.431 -1.649 1.00 0.00 C ATOM 816 CD1 ILE A 53 -2.570 7.285 -1.531 1.00 0.00 C ATOM 0 H ILE A 53 -5.567 4.973 1.666 1.00 0.00 H new ATOM 0 HA ILE A 53 -5.470 4.432 -1.223 1.00 0.00 H new ATOM 0 HB ILE A 53 -3.010 5.201 0.322 1.00 0.00 H new ATOM 0 HG12 ILE A 53 -4.638 6.706 -1.736 1.00 0.00 H new ATOM 0 HG13 ILE A 53 -4.199 7.218 -0.118 1.00 0.00 H new ATOM 0 HG21 ILE A 53 -1.890 4.953 -1.852 1.00 0.00 H new ATOM 0 HG22 ILE A 53 -2.609 3.425 -1.290 1.00 0.00 H new ATOM 0 HG23 ILE A 53 -3.413 4.371 -2.565 1.00 0.00 H new ATOM 0 HD11 ILE A 53 -2.765 8.322 -1.806 1.00 0.00 H new ATOM 0 HD12 ILE A 53 -1.793 7.252 -0.768 1.00 0.00 H new ATOM 0 HD13 ILE A 53 -2.239 6.732 -2.410 1.00 0.00 H new ATOM 828 N SER A 54 -4.889 2.117 -0.693 1.00 0.00 N ATOM 829 CA SER A 54 -4.751 0.711 -0.355 1.00 0.00 C ATOM 830 C SER A 54 -3.767 0.037 -1.313 1.00 0.00 C ATOM 831 O SER A 54 -2.862 0.685 -1.837 1.00 0.00 O ATOM 832 CB SER A 54 -6.105 -0.001 -0.397 1.00 0.00 C ATOM 833 OG SER A 54 -6.217 -0.994 0.619 1.00 0.00 O ATOM 0 H SER A 54 -5.082 2.302 -1.677 1.00 0.00 H new ATOM 0 HA SER A 54 -4.365 0.640 0.662 1.00 0.00 H new ATOM 0 HB2 SER A 54 -6.904 0.731 -0.278 1.00 0.00 H new ATOM 0 HB3 SER A 54 -6.241 -0.465 -1.374 1.00 0.00 H new ATOM 0 HG SER A 54 -7.095 -1.424 0.560 1.00 0.00 H new ATOM 839 N LEU A 55 -3.978 -1.256 -1.514 1.00 0.00 N ATOM 840 CA LEU A 55 -3.120 -2.025 -2.400 1.00 0.00 C ATOM 841 C LEU A 55 -3.806 -2.180 -3.758 1.00 0.00 C ATOM 842 O LEU A 55 -4.831 -2.852 -3.867 1.00 0.00 O ATOM 843 CB LEU A 55 -2.735 -3.356 -1.750 1.00 0.00 C ATOM 844 CG LEU A 55 -1.779 -4.241 -2.552 1.00 0.00 C ATOM 845 CD1 LEU A 55 -0.561 -3.446 -3.025 1.00 0.00 C ATOM 846 CD2 LEU A 55 -1.377 -5.481 -1.750 1.00 0.00 C ATOM 0 H LEU A 55 -4.730 -1.790 -1.079 1.00 0.00 H new ATOM 0 HA LEU A 55 -2.182 -1.498 -2.574 1.00 0.00 H new ATOM 0 HB2 LEU A 55 -2.279 -3.147 -0.782 1.00 0.00 H new ATOM 0 HB3 LEU A 55 -3.647 -3.921 -1.558 1.00 0.00 H new ATOM 0 HG LEU A 55 -2.302 -4.588 -3.443 1.00 0.00 H new ATOM 0 HD11 LEU A 55 0.102 -4.099 -3.592 1.00 0.00 H new ATOM 0 HD12 LEU A 55 -0.888 -2.622 -3.659 1.00 0.00 H new ATOM 0 HD13 LEU A 55 -0.027 -3.049 -2.161 1.00 0.00 H new ATOM 0 HD21 LEU A 55 -0.697 -6.093 -2.343 1.00 0.00 H new ATOM 0 HD22 LEU A 55 -0.880 -5.174 -0.830 1.00 0.00 H new ATOM 0 HD23 LEU A 55 -2.267 -6.060 -1.505 1.00 0.00 H new ATOM 858 N ARG A 56 -3.214 -1.547 -4.760 1.00 0.00 N ATOM 859 CA ARG A 56 -3.755 -1.606 -6.108 1.00 0.00 C ATOM 860 C ARG A 56 -2.699 -1.167 -7.124 1.00 0.00 C ATOM 861 O ARG A 56 -1.641 -0.666 -6.747 1.00 0.00 O ATOM 862 CB ARG A 56 -4.989 -0.712 -6.245 1.00 0.00 C ATOM 863 CG ARG A 56 -6.211 -1.358 -5.590 1.00 0.00 C ATOM 864 CD ARG A 56 -7.497 -0.959 -6.314 1.00 0.00 C ATOM 865 NE ARG A 56 -8.560 -1.953 -6.045 1.00 0.00 N ATOM 866 CZ ARG A 56 -9.171 -2.098 -4.861 1.00 0.00 C ATOM 867 NH1 ARG A 56 -8.828 -1.314 -3.830 1.00 0.00 N ATOM 868 NH2 ARG A 56 -10.124 -3.028 -4.709 1.00 0.00 N ATOM 0 H ARG A 56 -2.365 -0.990 -4.666 1.00 0.00 H new ATOM 0 HA ARG A 56 -4.045 -2.638 -6.304 1.00 0.00 H new ATOM 0 HB2 ARG A 56 -4.794 0.256 -5.783 1.00 0.00 H new ATOM 0 HB3 ARG A 56 -5.193 -0.527 -7.300 1.00 0.00 H new ATOM 0 HG2 ARG A 56 -6.104 -2.443 -5.603 1.00 0.00 H new ATOM 0 HG3 ARG A 56 -6.270 -1.056 -4.544 1.00 0.00 H new ATOM 0 HD2 ARG A 56 -7.819 0.028 -5.983 1.00 0.00 H new ATOM 0 HD3 ARG A 56 -7.314 -0.891 -7.386 1.00 0.00 H new ATOM 0 HE ARG A 56 -8.845 -2.566 -6.809 1.00 0.00 H new ATOM 0 HH11 ARG A 56 -8.102 -0.607 -3.946 1.00 0.00 H new ATOM 0 HH12 ARG A 56 -9.293 -1.424 -2.929 1.00 0.00 H new ATOM 0 HH21 ARG A 56 -10.384 -3.625 -5.494 1.00 0.00 H new ATOM 0 HH22 ARG A 56 -10.589 -3.139 -3.808 1.00 0.00 H new ATOM 882 N ARG A 57 -3.023 -1.370 -8.392 1.00 0.00 N ATOM 883 CA ARG A 57 -2.116 -1.001 -9.465 1.00 0.00 C ATOM 884 C ARG A 57 -1.806 0.496 -9.407 1.00 0.00 C ATOM 885 O ARG A 57 -2.680 1.303 -9.096 1.00 0.00 O ATOM 886 CB ARG A 57 -2.714 -1.338 -10.832 1.00 0.00 C ATOM 887 CG ARG A 57 -2.890 -2.849 -10.996 1.00 0.00 C ATOM 888 CD ARG A 57 -4.278 -3.183 -11.548 1.00 0.00 C ATOM 889 NE ARG A 57 -4.155 -3.802 -12.887 1.00 0.00 N ATOM 890 CZ ARG A 57 -3.608 -5.005 -13.111 1.00 0.00 C ATOM 891 NH1 ARG A 57 -3.131 -5.725 -12.086 1.00 0.00 N ATOM 892 NH2 ARG A 57 -3.539 -5.487 -14.359 1.00 0.00 N ATOM 0 H ARG A 57 -3.902 -1.786 -8.701 1.00 0.00 H new ATOM 0 HA ARG A 57 -1.197 -1.571 -9.333 1.00 0.00 H new ATOM 0 HB2 ARG A 57 -3.678 -0.842 -10.944 1.00 0.00 H new ATOM 0 HB3 ARG A 57 -2.066 -0.956 -11.621 1.00 0.00 H new ATOM 0 HG2 ARG A 57 -2.124 -3.237 -11.668 1.00 0.00 H new ATOM 0 HG3 ARG A 57 -2.749 -3.342 -10.034 1.00 0.00 H new ATOM 0 HD2 ARG A 57 -4.794 -3.863 -10.870 1.00 0.00 H new ATOM 0 HD3 ARG A 57 -4.881 -2.277 -11.611 1.00 0.00 H new ATOM 0 HE ARG A 57 -4.509 -3.281 -13.689 1.00 0.00 H new ATOM 0 HH11 ARG A 57 -3.184 -5.357 -11.136 1.00 0.00 H new ATOM 0 HH12 ARG A 57 -2.715 -6.641 -12.256 1.00 0.00 H new ATOM 0 HH21 ARG A 57 -3.903 -4.939 -15.138 1.00 0.00 H new ATOM 0 HH22 ARG A 57 -3.123 -6.402 -14.530 1.00 0.00 H new ATOM 906 N PRO A 58 -0.525 0.830 -9.718 1.00 0.00 N ATOM 907 CA PRO A 58 -0.088 2.216 -9.704 1.00 0.00 C ATOM 908 C PRO A 58 -0.619 2.970 -10.925 1.00 0.00 C ATOM 909 O PRO A 58 -0.328 4.152 -11.104 1.00 0.00 O ATOM 910 CB PRO A 58 1.429 2.150 -9.660 1.00 0.00 C ATOM 911 CG PRO A 58 1.799 0.749 -10.119 1.00 0.00 C ATOM 912 CD PRO A 58 0.538 -0.099 -10.091 1.00 0.00 C ATOM 0 HA PRO A 58 -0.474 2.770 -8.848 1.00 0.00 H new ATOM 0 HB2 PRO A 58 1.872 2.904 -10.311 1.00 0.00 H new ATOM 0 HB3 PRO A 58 1.799 2.341 -8.653 1.00 0.00 H new ATOM 0 HG2 PRO A 58 2.219 0.775 -11.124 1.00 0.00 H new ATOM 0 HG3 PRO A 58 2.561 0.322 -9.466 1.00 0.00 H new ATOM 0 HD2 PRO A 58 0.344 -0.553 -11.063 1.00 0.00 H new ATOM 0 HD3 PRO A 58 0.624 -0.913 -9.371 1.00 0.00 H new ATOM 920 N ASN A 59 -1.387 2.256 -11.734 1.00 0.00 N ATOM 921 CA ASN A 59 -1.961 2.843 -12.933 1.00 0.00 C ATOM 922 C ASN A 59 -3.422 3.210 -12.667 1.00 0.00 C ATOM 923 O ASN A 59 -4.159 3.547 -13.592 1.00 0.00 O ATOM 924 CB ASN A 59 -1.927 1.855 -14.101 1.00 0.00 C ATOM 925 CG ASN A 59 -2.985 0.763 -13.927 1.00 0.00 C ATOM 926 OD1 ASN A 59 -3.356 0.393 -12.825 1.00 0.00 O ATOM 927 ND2 ASN A 59 -3.448 0.271 -15.072 1.00 0.00 N ATOM 0 H ASN A 59 -1.625 1.276 -11.583 1.00 0.00 H new ATOM 0 HA ASN A 59 -1.375 3.725 -13.190 1.00 0.00 H new ATOM 0 HB2 ASN A 59 -2.099 2.387 -15.037 1.00 0.00 H new ATOM 0 HB3 ASN A 59 -0.938 1.401 -14.169 1.00 0.00 H new ATOM 0 HD21 ASN A 59 -4.158 -0.462 -15.062 1.00 0.00 H new ATOM 0 HD22 ASN A 59 -3.094 0.626 -15.960 1.00 0.00 H new ATOM 934 N CYS A 60 -3.797 3.132 -11.399 1.00 0.00 N ATOM 935 CA CYS A 60 -5.157 3.452 -11.000 1.00 0.00 C ATOM 936 C CYS A 60 -5.096 4.460 -9.851 1.00 0.00 C ATOM 937 O CYS A 60 -6.097 4.702 -9.178 1.00 0.00 O ATOM 938 CB CYS A 60 -5.944 2.197 -10.616 1.00 0.00 C ATOM 939 SG CYS A 60 -7.620 2.261 -11.350 1.00 0.00 S ATOM 0 H CYS A 60 -3.183 2.852 -10.634 1.00 0.00 H new ATOM 0 HA CYS A 60 -5.691 3.893 -11.842 1.00 0.00 H new ATOM 0 HB2 CYS A 60 -5.419 1.308 -10.964 1.00 0.00 H new ATOM 0 HB3 CYS A 60 -6.016 2.120 -9.531 1.00 0.00 H new ATOM 0 HG CYS A 60 -8.279 1.190 -11.020 1.00 0.00 H new ATOM 945 N PHE A 61 -3.910 5.021 -9.660 1.00 0.00 N ATOM 946 CA PHE A 61 -3.706 5.997 -8.604 1.00 0.00 C ATOM 947 C PHE A 61 -3.206 7.326 -9.175 1.00 0.00 C ATOM 948 O PHE A 61 -2.329 7.344 -10.038 1.00 0.00 O ATOM 949 CB PHE A 61 -2.640 5.426 -7.667 1.00 0.00 C ATOM 950 CG PHE A 61 -3.159 4.338 -6.724 1.00 0.00 C ATOM 951 CD1 PHE A 61 -4.040 4.658 -5.738 1.00 0.00 C ATOM 952 CD2 PHE A 61 -2.740 3.053 -6.871 1.00 0.00 C ATOM 953 CE1 PHE A 61 -4.522 3.649 -4.862 1.00 0.00 C ATOM 954 CE2 PHE A 61 -3.222 2.044 -5.996 1.00 0.00 C ATOM 955 CZ PHE A 61 -4.103 2.363 -5.010 1.00 0.00 C ATOM 0 H PHE A 61 -3.081 4.818 -10.219 1.00 0.00 H new ATOM 0 HA PHE A 61 -4.646 6.185 -8.085 1.00 0.00 H new ATOM 0 HB2 PHE A 61 -1.827 5.016 -8.266 1.00 0.00 H new ATOM 0 HB3 PHE A 61 -2.221 6.238 -7.073 1.00 0.00 H new ATOM 0 HD1 PHE A 61 -4.373 5.679 -5.621 1.00 0.00 H new ATOM 0 HD2 PHE A 61 -2.040 2.800 -7.654 1.00 0.00 H new ATOM 0 HE1 PHE A 61 -5.221 3.903 -4.079 1.00 0.00 H new ATOM 0 HE2 PHE A 61 -2.889 1.023 -6.113 1.00 0.00 H new ATOM 0 HZ PHE A 61 -4.470 1.596 -4.345 1.00 0.00 H new ATOM 965 N GLY A 62 -3.784 8.406 -8.670 1.00 0.00 N ATOM 966 CA GLY A 62 -3.409 9.735 -9.119 1.00 0.00 C ATOM 967 C GLY A 62 -1.988 10.085 -8.671 1.00 0.00 C ATOM 968 O GLY A 62 -1.446 9.452 -7.766 1.00 0.00 O ATOM 0 H GLY A 62 -4.510 8.387 -7.954 1.00 0.00 H new ATOM 0 HA2 GLY A 62 -3.475 9.788 -10.206 1.00 0.00 H new ATOM 0 HA3 GLY A 62 -4.110 10.468 -8.721 1.00 0.00 H new ATOM 972 N ILE A 63 -1.426 11.091 -9.324 1.00 0.00 N ATOM 973 CA ILE A 63 -0.079 11.532 -9.004 1.00 0.00 C ATOM 974 C ILE A 63 0.041 11.734 -7.492 1.00 0.00 C ATOM 975 O ILE A 63 0.896 11.128 -6.847 1.00 0.00 O ATOM 976 CB ILE A 63 0.287 12.773 -9.821 1.00 0.00 C ATOM 977 CG1 ILE A 63 0.836 12.382 -11.194 1.00 0.00 C ATOM 978 CG2 ILE A 63 1.257 13.670 -9.050 1.00 0.00 C ATOM 979 CD1 ILE A 63 -0.087 12.870 -12.313 1.00 0.00 C ATOM 0 H ILE A 63 -1.879 11.614 -10.074 1.00 0.00 H new ATOM 0 HA ILE A 63 0.648 10.769 -9.283 1.00 0.00 H new ATOM 0 HB ILE A 63 -0.621 13.352 -9.990 1.00 0.00 H new ATOM 0 HG12 ILE A 63 1.831 12.808 -11.327 1.00 0.00 H new ATOM 0 HG13 ILE A 63 0.943 11.299 -11.252 1.00 0.00 H new ATOM 0 HG21 ILE A 63 1.501 14.545 -9.653 1.00 0.00 H new ATOM 0 HG22 ILE A 63 0.793 13.990 -8.117 1.00 0.00 H new ATOM 0 HG23 ILE A 63 2.169 13.115 -8.830 1.00 0.00 H new ATOM 0 HD11 ILE A 63 0.326 12.579 -13.279 1.00 0.00 H new ATOM 0 HD12 ILE A 63 -1.074 12.423 -12.191 1.00 0.00 H new ATOM 0 HD13 ILE A 63 -0.172 13.956 -12.267 1.00 0.00 H new ATOM 991 N ALA A 64 -0.829 12.586 -6.970 1.00 0.00 N ATOM 992 CA ALA A 64 -0.831 12.875 -5.546 1.00 0.00 C ATOM 993 C ALA A 64 -0.725 11.565 -4.764 1.00 0.00 C ATOM 994 O ALA A 64 0.095 11.445 -3.854 1.00 0.00 O ATOM 995 CB ALA A 64 -2.090 13.668 -5.188 1.00 0.00 C ATOM 0 H ALA A 64 -1.537 13.086 -7.508 1.00 0.00 H new ATOM 0 HA ALA A 64 0.029 13.489 -5.278 1.00 0.00 H new ATOM 0 HB1 ALA A 64 -2.092 13.885 -4.120 1.00 0.00 H new ATOM 0 HB2 ALA A 64 -2.103 14.603 -5.748 1.00 0.00 H new ATOM 0 HB3 ALA A 64 -2.973 13.082 -5.441 1.00 0.00 H new ATOM 1001 N LYS A 65 -1.565 10.615 -5.147 1.00 0.00 N ATOM 1002 CA LYS A 65 -1.576 9.317 -4.492 1.00 0.00 C ATOM 1003 C LYS A 65 -0.215 8.643 -4.683 1.00 0.00 C ATOM 1004 O LYS A 65 0.469 8.332 -3.709 1.00 0.00 O ATOM 1005 CB LYS A 65 -2.753 8.476 -4.990 1.00 0.00 C ATOM 1006 CG LYS A 65 -4.085 9.167 -4.691 1.00 0.00 C ATOM 1007 CD LYS A 65 -5.210 8.143 -4.528 1.00 0.00 C ATOM 1008 CE LYS A 65 -6.244 8.622 -3.506 1.00 0.00 C ATOM 1009 NZ LYS A 65 -7.563 8.009 -3.779 1.00 0.00 N ATOM 0 H LYS A 65 -2.243 10.718 -5.902 1.00 0.00 H new ATOM 0 HA LYS A 65 -1.728 9.433 -3.419 1.00 0.00 H new ATOM 0 HB2 LYS A 65 -2.658 8.310 -6.063 1.00 0.00 H new ATOM 0 HB3 LYS A 65 -2.732 7.496 -4.513 1.00 0.00 H new ATOM 0 HG2 LYS A 65 -3.994 9.761 -3.781 1.00 0.00 H new ATOM 0 HG3 LYS A 65 -4.330 9.857 -5.499 1.00 0.00 H new ATOM 0 HD2 LYS A 65 -5.695 7.974 -5.489 1.00 0.00 H new ATOM 0 HD3 LYS A 65 -4.794 7.188 -4.209 1.00 0.00 H new ATOM 0 HE2 LYS A 65 -5.917 8.362 -2.499 1.00 0.00 H new ATOM 0 HE3 LYS A 65 -6.326 9.708 -3.544 1.00 0.00 H new ATOM 0 HZ1 LYS A 65 -8.253 8.344 -3.077 1.00 0.00 H new ATOM 0 HZ2 LYS A 65 -7.880 8.278 -4.732 1.00 0.00 H new ATOM 0 HZ3 LYS A 65 -7.484 6.974 -3.720 1.00 0.00 H new ATOM 1023 N LEU A 66 0.136 8.438 -5.944 1.00 0.00 N ATOM 1024 CA LEU A 66 1.403 7.807 -6.274 1.00 0.00 C ATOM 1025 C LEU A 66 2.496 8.356 -5.355 1.00 0.00 C ATOM 1026 O LEU A 66 3.223 7.590 -4.724 1.00 0.00 O ATOM 1027 CB LEU A 66 1.711 7.973 -7.763 1.00 0.00 C ATOM 1028 CG LEU A 66 0.749 7.278 -8.729 1.00 0.00 C ATOM 1029 CD1 LEU A 66 0.993 7.733 -10.169 1.00 0.00 C ATOM 1030 CD2 LEU A 66 0.833 5.757 -8.587 1.00 0.00 C ATOM 0 H LEU A 66 -0.434 8.697 -6.749 1.00 0.00 H new ATOM 0 HA LEU A 66 1.351 6.732 -6.100 1.00 0.00 H new ATOM 0 HB2 LEU A 66 1.721 9.038 -7.995 1.00 0.00 H new ATOM 0 HB3 LEU A 66 2.717 7.597 -7.950 1.00 0.00 H new ATOM 0 HG LEU A 66 -0.268 7.571 -8.467 1.00 0.00 H new ATOM 0 HD11 LEU A 66 0.296 7.224 -10.835 1.00 0.00 H new ATOM 0 HD12 LEU A 66 0.842 8.810 -10.241 1.00 0.00 H new ATOM 0 HD13 LEU A 66 2.015 7.490 -10.459 1.00 0.00 H new ATOM 0 HD21 LEU A 66 0.139 5.288 -9.285 1.00 0.00 H new ATOM 0 HD22 LEU A 66 1.848 5.427 -8.807 1.00 0.00 H new ATOM 0 HD23 LEU A 66 0.571 5.472 -7.568 1.00 0.00 H new ATOM 1042 N ARG A 67 2.578 9.678 -5.309 1.00 0.00 N ATOM 1043 CA ARG A 67 3.570 10.337 -4.477 1.00 0.00 C ATOM 1044 C ARG A 67 3.442 9.870 -3.026 1.00 0.00 C ATOM 1045 O ARG A 67 4.388 9.323 -2.461 1.00 0.00 O ATOM 1046 CB ARG A 67 3.411 11.858 -4.532 1.00 0.00 C ATOM 1047 CG ARG A 67 3.927 12.416 -5.860 1.00 0.00 C ATOM 1048 CD ARG A 67 4.281 13.899 -5.732 1.00 0.00 C ATOM 1049 NE ARG A 67 5.750 14.071 -5.738 1.00 0.00 N ATOM 1050 CZ ARG A 67 6.374 15.213 -5.416 1.00 0.00 C ATOM 1051 NH1 ARG A 67 5.660 16.290 -5.061 1.00 0.00 N ATOM 1052 NH2 ARG A 67 7.712 15.278 -5.450 1.00 0.00 N ATOM 0 H ARG A 67 1.974 10.310 -5.834 1.00 0.00 H new ATOM 0 HA ARG A 67 4.555 10.071 -4.862 1.00 0.00 H new ATOM 0 HB2 ARG A 67 2.361 12.122 -4.406 1.00 0.00 H new ATOM 0 HB3 ARG A 67 3.956 12.314 -3.706 1.00 0.00 H new ATOM 0 HG2 ARG A 67 4.806 11.855 -6.177 1.00 0.00 H new ATOM 0 HG3 ARG A 67 3.169 12.285 -6.632 1.00 0.00 H new ATOM 0 HD2 ARG A 67 3.838 14.459 -6.555 1.00 0.00 H new ATOM 0 HD3 ARG A 67 3.863 14.303 -4.810 1.00 0.00 H new ATOM 0 HE ARG A 67 6.324 13.271 -6.004 1.00 0.00 H new ATOM 0 HH11 ARG A 67 4.641 16.241 -5.036 1.00 0.00 H new ATOM 0 HH12 ARG A 67 6.135 17.159 -4.816 1.00 0.00 H new ATOM 0 HH21 ARG A 67 8.256 14.459 -5.721 1.00 0.00 H new ATOM 0 HH22 ARG A 67 8.187 16.147 -5.205 1.00 0.00 H new ATOM 1066 N LYS A 68 2.265 10.102 -2.465 1.00 0.00 N ATOM 1067 CA LYS A 68 2.001 9.712 -1.090 1.00 0.00 C ATOM 1068 C LYS A 68 2.622 8.339 -0.827 1.00 0.00 C ATOM 1069 O LYS A 68 3.535 8.212 -0.012 1.00 0.00 O ATOM 1070 CB LYS A 68 0.502 9.776 -0.793 1.00 0.00 C ATOM 1071 CG LYS A 68 0.193 10.866 0.236 1.00 0.00 C ATOM 1072 CD LYS A 68 -0.430 12.092 -0.434 1.00 0.00 C ATOM 1073 CE LYS A 68 -1.896 12.254 -0.026 1.00 0.00 C ATOM 1074 NZ LYS A 68 -2.077 13.482 0.780 1.00 0.00 N ATOM 0 H LYS A 68 1.483 10.555 -2.937 1.00 0.00 H new ATOM 0 HA LYS A 68 2.469 10.413 -0.398 1.00 0.00 H new ATOM 0 HB2 LYS A 68 -0.047 9.974 -1.714 1.00 0.00 H new ATOM 0 HB3 LYS A 68 0.160 8.811 -0.419 1.00 0.00 H new ATOM 0 HG2 LYS A 68 -0.488 10.475 0.992 1.00 0.00 H new ATOM 0 HG3 LYS A 68 1.109 11.155 0.751 1.00 0.00 H new ATOM 0 HD2 LYS A 68 0.129 12.986 -0.157 1.00 0.00 H new ATOM 0 HD3 LYS A 68 -0.359 11.994 -1.517 1.00 0.00 H new ATOM 0 HE2 LYS A 68 -2.524 12.300 -0.916 1.00 0.00 H new ATOM 0 HE3 LYS A 68 -2.218 11.385 0.547 1.00 0.00 H new ATOM 0 HZ1 LYS A 68 -3.077 13.577 1.048 1.00 0.00 H new ATOM 0 HZ2 LYS A 68 -1.492 13.423 1.638 1.00 0.00 H new ATOM 0 HZ3 LYS A 68 -1.789 14.310 0.221 1.00 0.00 H new ATOM 1088 N ILE A 69 2.101 7.344 -1.531 1.00 0.00 N ATOM 1089 CA ILE A 69 2.593 5.985 -1.383 1.00 0.00 C ATOM 1090 C ILE A 69 4.123 5.999 -1.374 1.00 0.00 C ATOM 1091 O ILE A 69 4.747 5.438 -0.474 1.00 0.00 O ATOM 1092 CB ILE A 69 1.992 5.078 -2.459 1.00 0.00 C ATOM 1093 CG1 ILE A 69 0.473 4.984 -2.311 1.00 0.00 C ATOM 1094 CG2 ILE A 69 2.656 3.700 -2.447 1.00 0.00 C ATOM 1095 CD1 ILE A 69 -0.190 4.655 -3.650 1.00 0.00 C ATOM 0 H ILE A 69 1.343 7.452 -2.205 1.00 0.00 H new ATOM 0 HA ILE A 69 2.273 5.565 -0.429 1.00 0.00 H new ATOM 0 HB ILE A 69 2.193 5.524 -3.433 1.00 0.00 H new ATOM 0 HG12 ILE A 69 0.222 4.216 -1.579 1.00 0.00 H new ATOM 0 HG13 ILE A 69 0.082 5.928 -1.930 1.00 0.00 H new ATOM 0 HG21 ILE A 69 2.211 3.075 -3.221 1.00 0.00 H new ATOM 0 HG22 ILE A 69 3.724 3.809 -2.638 1.00 0.00 H new ATOM 0 HG23 ILE A 69 2.507 3.233 -1.473 1.00 0.00 H new ATOM 0 HD11 ILE A 69 -1.270 4.594 -3.516 1.00 0.00 H new ATOM 0 HD12 ILE A 69 0.042 5.437 -4.373 1.00 0.00 H new ATOM 0 HD13 ILE A 69 0.185 3.699 -4.016 1.00 0.00 H new ATOM 1107 N LEU A 70 4.683 6.646 -2.386 1.00 0.00 N ATOM 1108 CA LEU A 70 6.128 6.740 -2.506 1.00 0.00 C ATOM 1109 C LEU A 70 6.696 7.414 -1.256 1.00 0.00 C ATOM 1110 O LEU A 70 7.782 7.064 -0.796 1.00 0.00 O ATOM 1111 CB LEU A 70 6.513 7.439 -3.811 1.00 0.00 C ATOM 1112 CG LEU A 70 6.342 6.615 -5.089 1.00 0.00 C ATOM 1113 CD1 LEU A 70 6.510 7.491 -6.332 1.00 0.00 C ATOM 1114 CD2 LEU A 70 7.292 5.416 -5.099 1.00 0.00 C ATOM 0 H LEU A 70 4.162 7.110 -3.130 1.00 0.00 H new ATOM 0 HA LEU A 70 6.571 5.746 -2.562 1.00 0.00 H new ATOM 0 HB2 LEU A 70 5.915 8.346 -3.904 1.00 0.00 H new ATOM 0 HB3 LEU A 70 7.555 7.750 -3.740 1.00 0.00 H new ATOM 0 HG LEU A 70 5.326 6.220 -5.109 1.00 0.00 H new ATOM 0 HD11 LEU A 70 6.384 6.881 -7.227 1.00 0.00 H new ATOM 0 HD12 LEU A 70 5.760 8.282 -6.323 1.00 0.00 H new ATOM 0 HD13 LEU A 70 7.506 7.934 -6.333 1.00 0.00 H new ATOM 0 HD21 LEU A 70 7.150 4.847 -6.018 1.00 0.00 H new ATOM 0 HD22 LEU A 70 8.322 5.768 -5.045 1.00 0.00 H new ATOM 0 HD23 LEU A 70 7.081 4.778 -4.241 1.00 0.00 H new ATOM 1126 N GLU A 71 5.936 8.370 -0.740 1.00 0.00 N ATOM 1127 CA GLU A 71 6.351 9.097 0.447 1.00 0.00 C ATOM 1128 C GLU A 71 6.207 8.213 1.688 1.00 0.00 C ATOM 1129 O GLU A 71 6.861 8.450 2.702 1.00 0.00 O ATOM 1130 CB GLU A 71 5.553 10.393 0.603 1.00 0.00 C ATOM 1131 CG GLU A 71 5.654 11.254 -0.658 1.00 0.00 C ATOM 1132 CD GLU A 71 5.819 12.732 -0.301 1.00 0.00 C ATOM 1133 OE1 GLU A 71 4.959 13.233 0.455 1.00 0.00 O ATOM 1134 OE2 GLU A 71 6.802 13.328 -0.791 1.00 0.00 O ATOM 0 H GLU A 71 5.035 8.657 -1.123 1.00 0.00 H new ATOM 0 HA GLU A 71 7.401 9.366 0.336 1.00 0.00 H new ATOM 0 HB2 GLU A 71 4.508 10.159 0.805 1.00 0.00 H new ATOM 0 HB3 GLU A 71 5.926 10.953 1.461 1.00 0.00 H new ATOM 0 HG2 GLU A 71 6.501 10.925 -1.260 1.00 0.00 H new ATOM 0 HG3 GLU A 71 4.759 11.121 -1.266 1.00 0.00 H new ATOM 1141 N ALA A 72 5.348 7.211 1.565 1.00 0.00 N ATOM 1142 CA ALA A 72 5.111 6.290 2.664 1.00 0.00 C ATOM 1143 C ALA A 72 5.716 4.928 2.321 1.00 0.00 C ATOM 1144 O ALA A 72 5.256 3.899 2.814 1.00 0.00 O ATOM 1145 CB ALA A 72 3.609 6.208 2.946 1.00 0.00 C ATOM 0 H ALA A 72 4.808 7.017 0.722 1.00 0.00 H new ATOM 0 HA ALA A 72 5.594 6.645 3.574 1.00 0.00 H new ATOM 0 HB1 ALA A 72 3.431 5.517 3.770 1.00 0.00 H new ATOM 0 HB2 ALA A 72 3.234 7.196 3.213 1.00 0.00 H new ATOM 0 HB3 ALA A 72 3.091 5.852 2.056 1.00 0.00 H new ATOM 1151 N SER A 73 6.738 4.964 1.479 1.00 0.00 N ATOM 1152 CA SER A 73 7.410 3.745 1.064 1.00 0.00 C ATOM 1153 C SER A 73 7.983 3.022 2.285 1.00 0.00 C ATOM 1154 O SER A 73 7.604 1.888 2.574 1.00 0.00 O ATOM 1155 CB SER A 73 8.520 4.044 0.054 1.00 0.00 C ATOM 1156 OG SER A 73 9.794 3.605 0.516 1.00 0.00 O ATOM 0 H SER A 73 7.117 5.819 1.073 1.00 0.00 H new ATOM 0 HA SER A 73 6.679 3.100 0.578 1.00 0.00 H new ATOM 0 HB2 SER A 73 8.290 3.556 -0.893 1.00 0.00 H new ATOM 0 HB3 SER A 73 8.554 5.116 -0.140 1.00 0.00 H new ATOM 0 HG SER A 73 10.475 3.812 -0.157 1.00 0.00 H new ATOM 1162 N ASN A 74 8.887 3.709 2.968 1.00 0.00 N ATOM 1163 CA ASN A 74 9.517 3.146 4.151 1.00 0.00 C ATOM 1164 C ASN A 74 8.438 2.589 5.081 1.00 0.00 C ATOM 1165 O ASN A 74 8.599 1.509 5.647 1.00 0.00 O ATOM 1166 CB ASN A 74 10.298 4.214 4.919 1.00 0.00 C ATOM 1167 CG ASN A 74 11.280 4.943 3.999 1.00 0.00 C ATOM 1168 OD1 ASN A 74 12.387 4.494 3.749 1.00 0.00 O ATOM 1169 ND2 ASN A 74 10.815 6.089 3.511 1.00 0.00 N ATOM 0 H ASN A 74 9.198 4.650 2.725 1.00 0.00 H new ATOM 0 HA ASN A 74 10.201 2.361 3.828 1.00 0.00 H new ATOM 0 HB2 ASN A 74 9.605 4.931 5.358 1.00 0.00 H new ATOM 0 HB3 ASN A 74 10.841 3.751 5.743 1.00 0.00 H new ATOM 0 HD21 ASN A 74 11.395 6.650 2.887 1.00 0.00 H new ATOM 0 HD22 ASN A 74 9.879 6.407 3.761 1.00 0.00 H new ATOM 1176 N SER A 75 7.362 3.352 5.211 1.00 0.00 N ATOM 1177 CA SER A 75 6.256 2.948 6.063 1.00 0.00 C ATOM 1178 C SER A 75 5.571 1.711 5.479 1.00 0.00 C ATOM 1179 O SER A 75 5.317 0.742 6.194 1.00 0.00 O ATOM 1180 CB SER A 75 5.246 4.085 6.231 1.00 0.00 C ATOM 1181 OG SER A 75 5.626 4.988 7.266 1.00 0.00 O ATOM 0 H SER A 75 7.233 4.248 4.741 1.00 0.00 H new ATOM 0 HA SER A 75 6.654 2.704 7.048 1.00 0.00 H new ATOM 0 HB2 SER A 75 5.153 4.629 5.291 1.00 0.00 H new ATOM 0 HB3 SER A 75 4.265 3.668 6.456 1.00 0.00 H new ATOM 0 HG SER A 75 4.957 5.700 7.341 1.00 0.00 H new ATOM 1187 N ILE A 76 5.291 1.783 4.186 1.00 0.00 N ATOM 1188 CA ILE A 76 4.640 0.681 3.499 1.00 0.00 C ATOM 1189 C ILE A 76 5.330 -0.630 3.878 1.00 0.00 C ATOM 1190 O ILE A 76 6.509 -0.636 4.230 1.00 0.00 O ATOM 1191 CB ILE A 76 4.597 0.940 1.992 1.00 0.00 C ATOM 1192 CG1 ILE A 76 3.410 1.833 1.623 1.00 0.00 C ATOM 1193 CG2 ILE A 76 4.590 -0.375 1.209 1.00 0.00 C ATOM 1194 CD1 ILE A 76 3.374 2.102 0.117 1.00 0.00 C ATOM 0 H ILE A 76 5.503 2.588 3.596 1.00 0.00 H new ATOM 0 HA ILE A 76 3.600 0.597 3.815 1.00 0.00 H new ATOM 0 HB ILE A 76 5.503 1.477 1.712 1.00 0.00 H new ATOM 0 HG12 ILE A 76 2.481 1.355 1.933 1.00 0.00 H new ATOM 0 HG13 ILE A 76 3.479 2.777 2.163 1.00 0.00 H new ATOM 0 HG21 ILE A 76 4.559 -0.162 0.140 1.00 0.00 H new ATOM 0 HG22 ILE A 76 5.492 -0.941 1.440 1.00 0.00 H new ATOM 0 HG23 ILE A 76 3.713 -0.960 1.488 1.00 0.00 H new ATOM 0 HD11 ILE A 76 2.521 2.739 -0.119 1.00 0.00 H new ATOM 0 HD12 ILE A 76 4.294 2.602 -0.185 1.00 0.00 H new ATOM 0 HD13 ILE A 76 3.281 1.158 -0.419 1.00 0.00 H new ATOM 1206 N GLN A 77 4.568 -1.710 3.793 1.00 0.00 N ATOM 1207 CA GLN A 77 5.092 -3.025 4.122 1.00 0.00 C ATOM 1208 C GLN A 77 4.093 -4.111 3.717 1.00 0.00 C ATOM 1209 O GLN A 77 2.930 -4.069 4.115 1.00 0.00 O ATOM 1210 CB GLN A 77 5.434 -3.122 5.610 1.00 0.00 C ATOM 1211 CG GLN A 77 6.434 -4.249 5.871 1.00 0.00 C ATOM 1212 CD GLN A 77 7.080 -4.102 7.250 1.00 0.00 C ATOM 1213 OE1 GLN A 77 6.491 -4.404 8.275 1.00 0.00 O ATOM 1214 NE2 GLN A 77 8.319 -3.621 7.219 1.00 0.00 N ATOM 0 H GLN A 77 3.591 -1.702 3.501 1.00 0.00 H new ATOM 0 HA GLN A 77 6.013 -3.179 3.560 1.00 0.00 H new ATOM 0 HB2 GLN A 77 5.850 -2.175 5.953 1.00 0.00 H new ATOM 0 HB3 GLN A 77 4.525 -3.298 6.185 1.00 0.00 H new ATOM 0 HG2 GLN A 77 5.928 -5.212 5.804 1.00 0.00 H new ATOM 0 HG3 GLN A 77 7.206 -4.240 5.101 1.00 0.00 H new ATOM 0 HE21 GLN A 77 8.754 -3.388 6.326 1.00 0.00 H new ATOM 0 HE22 GLN A 77 8.835 -3.485 8.088 1.00 0.00 H new ATOM 1223 N PHE A 78 4.584 -5.059 2.932 1.00 0.00 N ATOM 1224 CA PHE A 78 3.749 -6.154 2.469 1.00 0.00 C ATOM 1225 C PHE A 78 3.743 -7.303 3.480 1.00 0.00 C ATOM 1226 O PHE A 78 4.658 -8.125 3.496 1.00 0.00 O ATOM 1227 CB PHE A 78 4.352 -6.651 1.154 1.00 0.00 C ATOM 1228 CG PHE A 78 4.016 -5.775 -0.055 1.00 0.00 C ATOM 1229 CD1 PHE A 78 4.224 -4.432 0.000 1.00 0.00 C ATOM 1230 CD2 PHE A 78 3.510 -6.339 -1.184 1.00 0.00 C ATOM 1231 CE1 PHE A 78 3.913 -3.619 -1.122 1.00 0.00 C ATOM 1232 CE2 PHE A 78 3.198 -5.526 -2.305 1.00 0.00 C ATOM 1233 CZ PHE A 78 3.406 -4.183 -2.251 1.00 0.00 C ATOM 0 H PHE A 78 5.550 -5.091 2.605 1.00 0.00 H new ATOM 0 HA PHE A 78 2.722 -5.811 2.342 1.00 0.00 H new ATOM 0 HB2 PHE A 78 5.435 -6.705 1.261 1.00 0.00 H new ATOM 0 HB3 PHE A 78 3.999 -7.665 0.965 1.00 0.00 H new ATOM 0 HD1 PHE A 78 4.626 -3.984 0.897 1.00 0.00 H new ATOM 0 HD2 PHE A 78 3.345 -7.405 -1.228 1.00 0.00 H new ATOM 0 HE1 PHE A 78 4.079 -2.553 -1.079 1.00 0.00 H new ATOM 0 HE2 PHE A 78 2.795 -5.974 -3.201 1.00 0.00 H new ATOM 0 HZ PHE A 78 3.169 -3.565 -3.104 1.00 0.00 H new ATOM 1243 N VAL A 79 2.701 -7.324 4.298 1.00 0.00 N ATOM 1244 CA VAL A 79 2.563 -8.358 5.308 1.00 0.00 C ATOM 1245 C VAL A 79 1.945 -9.606 4.674 1.00 0.00 C ATOM 1246 O VAL A 79 0.939 -9.516 3.972 1.00 0.00 O ATOM 1247 CB VAL A 79 1.755 -7.827 6.494 1.00 0.00 C ATOM 1248 CG1 VAL A 79 1.443 -8.946 7.490 1.00 0.00 C ATOM 1249 CG2 VAL A 79 2.483 -6.670 7.180 1.00 0.00 C ATOM 0 H VAL A 79 1.944 -6.641 4.281 1.00 0.00 H new ATOM 0 HA VAL A 79 3.540 -8.642 5.699 1.00 0.00 H new ATOM 0 HB VAL A 79 0.808 -7.446 6.110 1.00 0.00 H new ATOM 0 HG11 VAL A 79 0.868 -8.542 8.323 1.00 0.00 H new ATOM 0 HG12 VAL A 79 0.864 -9.724 6.993 1.00 0.00 H new ATOM 0 HG13 VAL A 79 2.375 -9.370 7.864 1.00 0.00 H new ATOM 0 HG21 VAL A 79 1.887 -6.312 8.019 1.00 0.00 H new ATOM 0 HG22 VAL A 79 3.451 -7.014 7.543 1.00 0.00 H new ATOM 0 HG23 VAL A 79 2.630 -5.859 6.467 1.00 0.00 H new ATOM 1259 N ILE A 80 2.573 -10.741 4.944 1.00 0.00 N ATOM 1260 CA ILE A 80 2.098 -12.005 4.409 1.00 0.00 C ATOM 1261 C ILE A 80 1.554 -12.865 5.551 1.00 0.00 C ATOM 1262 O ILE A 80 2.218 -13.041 6.571 1.00 0.00 O ATOM 1263 CB ILE A 80 3.197 -12.689 3.593 1.00 0.00 C ATOM 1264 CG1 ILE A 80 3.930 -11.680 2.707 1.00 0.00 C ATOM 1265 CG2 ILE A 80 2.632 -13.859 2.784 1.00 0.00 C ATOM 1266 CD1 ILE A 80 3.015 -11.156 1.599 1.00 0.00 C ATOM 0 H ILE A 80 3.407 -10.811 5.527 1.00 0.00 H new ATOM 0 HA ILE A 80 1.275 -11.839 3.714 1.00 0.00 H new ATOM 0 HB ILE A 80 3.930 -13.102 4.286 1.00 0.00 H new ATOM 0 HG12 ILE A 80 4.285 -10.847 3.315 1.00 0.00 H new ATOM 0 HG13 ILE A 80 4.809 -12.150 2.266 1.00 0.00 H new ATOM 0 HG21 ILE A 80 3.434 -14.328 2.213 1.00 0.00 H new ATOM 0 HG22 ILE A 80 2.193 -14.591 3.461 1.00 0.00 H new ATOM 0 HG23 ILE A 80 1.866 -13.492 2.100 1.00 0.00 H new ATOM 0 HD11 ILE A 80 3.561 -10.441 0.984 1.00 0.00 H new ATOM 0 HD12 ILE A 80 2.682 -11.988 0.979 1.00 0.00 H new ATOM 0 HD13 ILE A 80 2.149 -10.666 2.044 1.00 0.00 H new ATOM 1278 N LYS A 81 0.351 -13.380 5.341 1.00 0.00 N ATOM 1279 CA LYS A 81 -0.290 -14.218 6.340 1.00 0.00 C ATOM 1280 C LYS A 81 -0.418 -15.643 5.798 1.00 0.00 C ATOM 1281 O LYS A 81 -0.170 -16.609 6.518 1.00 0.00 O ATOM 1282 CB LYS A 81 -1.621 -13.605 6.779 1.00 0.00 C ATOM 1283 CG LYS A 81 -1.476 -12.103 7.035 1.00 0.00 C ATOM 1284 CD LYS A 81 -0.875 -11.838 8.417 1.00 0.00 C ATOM 1285 CE LYS A 81 -1.934 -11.297 9.380 1.00 0.00 C ATOM 1286 NZ LYS A 81 -3.249 -11.918 9.106 1.00 0.00 N ATOM 0 H LYS A 81 -0.197 -13.233 4.493 1.00 0.00 H new ATOM 0 HA LYS A 81 0.322 -14.273 7.241 1.00 0.00 H new ATOM 0 HB2 LYS A 81 -2.375 -13.775 6.010 1.00 0.00 H new ATOM 0 HB3 LYS A 81 -1.972 -14.100 7.685 1.00 0.00 H new ATOM 0 HG2 LYS A 81 -0.842 -11.659 6.268 1.00 0.00 H new ATOM 0 HG3 LYS A 81 -2.451 -11.622 6.960 1.00 0.00 H new ATOM 0 HD2 LYS A 81 -0.452 -12.760 8.816 1.00 0.00 H new ATOM 0 HD3 LYS A 81 -0.057 -11.123 8.331 1.00 0.00 H new ATOM 0 HE2 LYS A 81 -1.636 -11.500 10.409 1.00 0.00 H new ATOM 0 HE3 LYS A 81 -2.008 -10.214 9.278 1.00 0.00 H new ATOM 0 HZ1 LYS A 81 -3.849 -11.848 9.952 1.00 0.00 H new ATOM 0 HZ2 LYS A 81 -3.708 -11.424 8.314 1.00 0.00 H new ATOM 0 HZ3 LYS A 81 -3.115 -12.919 8.859 1.00 0.00 H new ATOM 1300 N ARG A 82 -0.805 -15.729 4.534 1.00 0.00 N ATOM 1301 CA ARG A 82 -0.969 -17.020 3.887 1.00 0.00 C ATOM 1302 C ARG A 82 -0.371 -16.988 2.479 1.00 0.00 C ATOM 1303 O ARG A 82 -1.038 -16.587 1.527 1.00 0.00 O ATOM 1304 CB ARG A 82 -2.446 -17.407 3.798 1.00 0.00 C ATOM 1305 CG ARG A 82 -3.031 -17.663 5.189 1.00 0.00 C ATOM 1306 CD ARG A 82 -4.376 -18.386 5.094 1.00 0.00 C ATOM 1307 NE ARG A 82 -4.233 -19.783 5.560 1.00 0.00 N ATOM 1308 CZ ARG A 82 -4.085 -20.136 6.844 1.00 0.00 C ATOM 1309 NH1 ARG A 82 -4.059 -19.196 7.798 1.00 0.00 N ATOM 1310 NH2 ARG A 82 -3.962 -21.429 7.174 1.00 0.00 N ATOM 0 H ARG A 82 -1.010 -14.925 3.940 1.00 0.00 H new ATOM 0 HA ARG A 82 -0.446 -17.762 4.490 1.00 0.00 H new ATOM 0 HB2 ARG A 82 -3.005 -16.611 3.305 1.00 0.00 H new ATOM 0 HB3 ARG A 82 -2.555 -18.301 3.184 1.00 0.00 H new ATOM 0 HG2 ARG A 82 -2.334 -18.260 5.776 1.00 0.00 H new ATOM 0 HG3 ARG A 82 -3.159 -16.716 5.713 1.00 0.00 H new ATOM 0 HD2 ARG A 82 -5.121 -17.867 5.697 1.00 0.00 H new ATOM 0 HD3 ARG A 82 -4.734 -18.372 4.065 1.00 0.00 H new ATOM 0 HE ARG A 82 -4.248 -20.524 4.859 1.00 0.00 H new ATOM 0 HH11 ARG A 82 -4.152 -18.212 7.547 1.00 0.00 H new ATOM 0 HH12 ARG A 82 -3.946 -19.464 8.776 1.00 0.00 H new ATOM 0 HH21 ARG A 82 -3.981 -22.145 6.448 1.00 0.00 H new ATOM 0 HH22 ARG A 82 -3.849 -21.697 8.152 1.00 0.00 H new ATOM 1324 N PRO A 83 0.913 -17.427 2.390 1.00 0.00 N ATOM 1325 CA PRO A 83 1.608 -17.453 1.114 1.00 0.00 C ATOM 1326 C PRO A 83 1.115 -18.611 0.244 1.00 0.00 C ATOM 1327 O PRO A 83 1.372 -18.642 -0.958 1.00 0.00 O ATOM 1328 CB PRO A 83 3.081 -17.564 1.471 1.00 0.00 C ATOM 1329 CG PRO A 83 3.126 -18.063 2.906 1.00 0.00 C ATOM 1330 CD PRO A 83 1.734 -17.909 3.496 1.00 0.00 C ATOM 0 HA PRO A 83 1.423 -16.561 0.516 1.00 0.00 H new ATOM 0 HB2 PRO A 83 3.594 -18.254 0.801 1.00 0.00 H new ATOM 0 HB3 PRO A 83 3.579 -16.599 1.377 1.00 0.00 H new ATOM 0 HG2 PRO A 83 3.441 -19.106 2.938 1.00 0.00 H new ATOM 0 HG3 PRO A 83 3.852 -17.493 3.486 1.00 0.00 H new ATOM 0 HD2 PRO A 83 1.361 -18.857 3.882 1.00 0.00 H new ATOM 0 HD3 PRO A 83 1.732 -17.204 4.327 1.00 0.00 H new ATOM 1338 N GLU A 84 0.414 -19.534 0.886 1.00 0.00 N ATOM 1339 CA GLU A 84 -0.117 -20.691 0.185 1.00 0.00 C ATOM 1340 C GLU A 84 -1.121 -20.250 -0.882 1.00 0.00 C ATOM 1341 O GLU A 84 -1.386 -20.986 -1.831 1.00 0.00 O ATOM 1342 CB GLU A 84 -0.756 -21.679 1.164 1.00 0.00 C ATOM 1343 CG GLU A 84 -2.066 -21.123 1.727 1.00 0.00 C ATOM 1344 CD GLU A 84 -2.824 -22.196 2.512 1.00 0.00 C ATOM 1345 OE1 GLU A 84 -2.139 -23.005 3.175 1.00 0.00 O ATOM 1346 OE2 GLU A 84 -4.071 -22.183 2.432 1.00 0.00 O ATOM 0 H GLU A 84 0.201 -19.504 1.883 1.00 0.00 H new ATOM 0 HA GLU A 84 0.709 -21.203 -0.310 1.00 0.00 H new ATOM 0 HB2 GLU A 84 -0.946 -22.626 0.659 1.00 0.00 H new ATOM 0 HB3 GLU A 84 -0.064 -21.887 1.980 1.00 0.00 H new ATOM 0 HG2 GLU A 84 -1.855 -20.273 2.376 1.00 0.00 H new ATOM 0 HG3 GLU A 84 -2.689 -20.755 0.912 1.00 0.00 H new ATOM 1353 N LEU A 85 -1.652 -19.052 -0.690 1.00 0.00 N ATOM 1354 CA LEU A 85 -2.621 -18.504 -1.624 1.00 0.00 C ATOM 1355 C LEU A 85 -1.915 -18.147 -2.934 1.00 0.00 C ATOM 1356 O LEU A 85 -2.423 -18.436 -4.016 1.00 0.00 O ATOM 1357 CB LEU A 85 -3.373 -17.332 -0.991 1.00 0.00 C ATOM 1358 CG LEU A 85 -4.233 -17.667 0.229 1.00 0.00 C ATOM 1359 CD1 LEU A 85 -4.813 -16.397 0.856 1.00 0.00 C ATOM 1360 CD2 LEU A 85 -5.323 -18.678 -0.130 1.00 0.00 C ATOM 0 H LEU A 85 -1.430 -18.445 0.099 1.00 0.00 H new ATOM 0 HA LEU A 85 -3.381 -19.247 -1.864 1.00 0.00 H new ATOM 0 HB2 LEU A 85 -2.646 -16.574 -0.701 1.00 0.00 H new ATOM 0 HB3 LEU A 85 -4.014 -16.885 -1.751 1.00 0.00 H new ATOM 0 HG LEU A 85 -3.595 -18.134 0.979 1.00 0.00 H new ATOM 0 HD11 LEU A 85 -5.420 -16.663 1.721 1.00 0.00 H new ATOM 0 HD12 LEU A 85 -4.000 -15.743 1.171 1.00 0.00 H new ATOM 0 HD13 LEU A 85 -5.432 -15.880 0.123 1.00 0.00 H new ATOM 0 HD21 LEU A 85 -5.920 -18.899 0.755 1.00 0.00 H new ATOM 0 HD22 LEU A 85 -5.965 -18.261 -0.906 1.00 0.00 H new ATOM 0 HD23 LEU A 85 -4.862 -19.596 -0.495 1.00 0.00 H new ATOM 1372 N LEU A 86 -0.754 -17.524 -2.792 1.00 0.00 N ATOM 1373 CA LEU A 86 0.027 -17.124 -3.950 1.00 0.00 C ATOM 1374 C LEU A 86 0.042 -18.266 -4.969 1.00 0.00 C ATOM 1375 O LEU A 86 -0.474 -18.122 -6.076 1.00 0.00 O ATOM 1376 CB LEU A 86 1.422 -16.663 -3.523 1.00 0.00 C ATOM 1377 CG LEU A 86 1.468 -15.557 -2.466 1.00 0.00 C ATOM 1378 CD1 LEU A 86 2.912 -15.173 -2.138 1.00 0.00 C ATOM 1379 CD2 LEU A 86 0.638 -14.348 -2.901 1.00 0.00 C ATOM 0 H LEU A 86 -0.336 -17.287 -1.893 1.00 0.00 H new ATOM 0 HA LEU A 86 -0.431 -16.265 -4.440 1.00 0.00 H new ATOM 0 HB2 LEU A 86 1.967 -17.526 -3.141 1.00 0.00 H new ATOM 0 HB3 LEU A 86 1.955 -16.315 -4.408 1.00 0.00 H new ATOM 0 HG LEU A 86 1.021 -15.941 -1.549 1.00 0.00 H new ATOM 0 HD11 LEU A 86 2.917 -14.385 -1.385 1.00 0.00 H new ATOM 0 HD12 LEU A 86 3.442 -16.045 -1.755 1.00 0.00 H new ATOM 0 HD13 LEU A 86 3.407 -14.815 -3.041 1.00 0.00 H new ATOM 0 HD21 LEU A 86 0.688 -13.577 -2.132 1.00 0.00 H new ATOM 0 HD22 LEU A 86 1.033 -13.953 -3.837 1.00 0.00 H new ATOM 0 HD23 LEU A 86 -0.399 -14.651 -3.044 1.00 0.00 H new