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+ -128:sc= 1.24 (180deg=-0.73) USER MOD Set 1.2: A 40 HIS : no HE2:sc= -3.6! C(o=-2.4!,f=-2.6!) USER MOD Single : A 10 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 11 GLN : amide:sc= -0.126 K(o=-0.13,f=-0.79) USER MOD Single : A 17 ASN : amide:sc= -0.757 K(o=-0.76,f=-1.7) USER MOD Single : A 18 THR OG1 : rot 95:sc= -0.461 USER MOD Single : A 20 TYR OH : rot 180:sc= -2.47! 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= -0.0578 USER MOD Single : A 35 SER OG : rot 180:sc= 0 USER MOD Single : A 39 MET CE :methyl -112:sc= 0 (180deg=-1.75!) USER MOD Single : A 54 SER OG : rot 180:sc= 0 USER MOD Single : A 59 ASN : amide:sc= 0 X(o=0,f=0) 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 -97:sc= 0.337 USER MOD Single : A 74 ASN : amide:sc=-0.00308 X(o=-0.0031,f=-0.13) USER MOD Single : A 75 SER OG : rot 180:sc= 0 USER MOD Single : A 77 GLN : amide:sc= -0.0484 K(o=-0.048,f=-1.7!) USER MOD Single : A 81 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD ----------------------------------------------------------------- ATOM 59 N GLY A 7 5.535 9.516 -13.903 1.00 0.00 N ATOM 60 CA GLY A 7 6.536 8.463 -13.886 1.00 0.00 C ATOM 61 C GLY A 7 6.510 7.703 -12.558 1.00 0.00 C ATOM 62 O GLY A 7 7.248 6.736 -12.377 1.00 0.00 O ATOM 0 HA2 GLY A 7 6.355 7.771 -14.709 1.00 0.00 H new ATOM 0 HA3 GLY A 7 7.525 8.894 -14.043 1.00 0.00 H new ATOM 66 N LEU A 8 5.652 8.170 -11.662 1.00 0.00 N ATOM 67 CA LEU A 8 5.520 7.547 -10.357 1.00 0.00 C ATOM 68 C LEU A 8 5.184 6.065 -10.535 1.00 0.00 C ATOM 69 O LEU A 8 5.757 5.210 -9.862 1.00 0.00 O ATOM 70 CB LEU A 8 4.507 8.309 -9.499 1.00 0.00 C ATOM 71 CG LEU A 8 4.715 9.821 -9.401 1.00 0.00 C ATOM 72 CD1 LEU A 8 3.547 10.489 -8.672 1.00 0.00 C ATOM 73 CD2 LEU A 8 6.059 10.149 -8.749 1.00 0.00 C ATOM 0 H LEU A 8 5.042 8.973 -11.815 1.00 0.00 H new ATOM 0 HA LEU A 8 6.464 7.597 -9.814 1.00 0.00 H new ATOM 0 HB2 LEU A 8 3.510 8.124 -9.899 1.00 0.00 H new ATOM 0 HB3 LEU A 8 4.528 7.893 -8.492 1.00 0.00 H new ATOM 0 HG LEU A 8 4.740 10.228 -10.412 1.00 0.00 H new ATOM 0 HD11 LEU A 8 3.720 11.564 -8.616 1.00 0.00 H new ATOM 0 HD12 LEU A 8 2.622 10.298 -9.216 1.00 0.00 H new ATOM 0 HD13 LEU A 8 3.466 10.082 -7.664 1.00 0.00 H new ATOM 0 HD21 LEU A 8 6.181 11.231 -8.692 1.00 0.00 H new ATOM 0 HD22 LEU A 8 6.089 9.727 -7.745 1.00 0.00 H new ATOM 0 HD23 LEU A 8 6.866 9.724 -9.345 1.00 0.00 H new ATOM 85 N ARG A 9 4.256 5.807 -11.445 1.00 0.00 N ATOM 86 CA ARG A 9 3.836 4.444 -11.720 1.00 0.00 C ATOM 87 C ARG A 9 5.045 3.506 -11.719 1.00 0.00 C ATOM 88 O ARG A 9 5.076 2.529 -10.974 1.00 0.00 O ATOM 89 CB ARG A 9 3.127 4.348 -13.072 1.00 0.00 C ATOM 90 CG ARG A 9 1.877 5.230 -13.099 1.00 0.00 C ATOM 91 CD ARG A 9 0.885 4.744 -14.158 1.00 0.00 C ATOM 92 NE ARG A 9 1.195 5.366 -15.465 1.00 0.00 N ATOM 93 CZ ARG A 9 2.079 4.871 -16.342 1.00 0.00 C ATOM 94 NH1 ARG A 9 2.747 3.745 -16.056 1.00 0.00 N ATOM 95 NH2 ARG A 9 2.296 5.502 -17.503 1.00 0.00 N ATOM 0 H ARG A 9 3.783 6.519 -12.001 1.00 0.00 H new ATOM 0 HA ARG A 9 3.140 4.147 -10.936 1.00 0.00 H new ATOM 0 HB2 ARG A 9 3.808 4.652 -13.866 1.00 0.00 H new ATOM 0 HB3 ARG A 9 2.850 3.312 -13.269 1.00 0.00 H new ATOM 0 HG2 ARG A 9 1.401 5.222 -12.119 1.00 0.00 H new ATOM 0 HG3 ARG A 9 2.160 6.262 -13.307 1.00 0.00 H new ATOM 0 HD2 ARG A 9 0.933 3.658 -14.242 1.00 0.00 H new ATOM 0 HD3 ARG A 9 -0.132 4.996 -13.858 1.00 0.00 H new ATOM 0 HE ARG A 9 0.705 6.225 -15.714 1.00 0.00 H new ATOM 0 HH11 ARG A 9 2.582 3.265 -15.171 1.00 0.00 H new ATOM 0 HH12 ARG A 9 3.420 3.368 -16.723 1.00 0.00 H new ATOM 0 HH21 ARG A 9 1.788 6.360 -17.720 1.00 0.00 H new ATOM 0 HH22 ARG A 9 2.969 5.125 -18.170 1.00 0.00 H new ATOM 109 N LYS A 10 6.011 3.837 -12.564 1.00 0.00 N ATOM 110 CA LYS A 10 7.219 3.037 -12.670 1.00 0.00 C ATOM 111 C LYS A 10 7.864 2.909 -11.288 1.00 0.00 C ATOM 112 O LYS A 10 8.352 1.840 -10.923 1.00 0.00 O ATOM 113 CB LYS A 10 8.154 3.615 -13.734 1.00 0.00 C ATOM 114 CG LYS A 10 7.541 3.489 -15.130 1.00 0.00 C ATOM 115 CD LYS A 10 7.641 2.051 -15.644 1.00 0.00 C ATOM 116 CE LYS A 10 6.849 1.877 -16.942 1.00 0.00 C ATOM 117 NZ LYS A 10 5.811 0.835 -16.780 1.00 0.00 N ATOM 0 H LYS A 10 5.981 4.648 -13.181 1.00 0.00 H new ATOM 0 HA LYS A 10 6.979 2.028 -13.005 1.00 0.00 H new ATOM 0 HB2 LYS A 10 8.356 4.664 -13.515 1.00 0.00 H new ATOM 0 HB3 LYS A 10 9.111 3.093 -13.705 1.00 0.00 H new ATOM 0 HG2 LYS A 10 6.496 3.797 -15.101 1.00 0.00 H new ATOM 0 HG3 LYS A 10 8.053 4.162 -15.818 1.00 0.00 H new ATOM 0 HD2 LYS A 10 8.686 1.794 -15.814 1.00 0.00 H new ATOM 0 HD3 LYS A 10 7.262 1.363 -14.888 1.00 0.00 H new ATOM 0 HE2 LYS A 10 6.383 2.822 -17.220 1.00 0.00 H new ATOM 0 HE3 LYS A 10 7.524 1.603 -17.753 1.00 0.00 H new ATOM 0 HZ1 LYS A 10 5.283 0.730 -17.670 1.00 0.00 H new ATOM 0 HZ2 LYS A 10 6.262 -0.070 -16.536 1.00 0.00 H new ATOM 0 HZ3 LYS A 10 5.157 1.112 -16.020 1.00 0.00 H new ATOM 131 N GLN A 11 7.845 4.014 -10.557 1.00 0.00 N ATOM 132 CA GLN A 11 8.422 4.039 -9.224 1.00 0.00 C ATOM 133 C GLN A 11 7.634 3.121 -8.287 1.00 0.00 C ATOM 134 O GLN A 11 8.200 2.213 -7.680 1.00 0.00 O ATOM 135 CB GLN A 11 8.474 5.466 -8.676 1.00 0.00 C ATOM 136 CG GLN A 11 8.994 6.441 -9.734 1.00 0.00 C ATOM 137 CD GLN A 11 9.612 7.680 -9.082 1.00 0.00 C ATOM 138 OE1 GLN A 11 10.290 7.608 -8.070 1.00 0.00 O ATOM 139 NE2 GLN A 11 9.340 8.817 -9.716 1.00 0.00 N ATOM 0 H GLN A 11 7.439 4.898 -10.863 1.00 0.00 H new ATOM 0 HA GLN A 11 9.446 3.671 -9.286 1.00 0.00 H new ATOM 0 HB2 GLN A 11 7.479 5.772 -8.352 1.00 0.00 H new ATOM 0 HB3 GLN A 11 9.119 5.499 -7.798 1.00 0.00 H new ATOM 0 HG2 GLN A 11 9.738 5.944 -10.357 1.00 0.00 H new ATOM 0 HG3 GLN A 11 8.177 6.740 -10.390 1.00 0.00 H new ATOM 0 HE21 GLN A 11 8.766 8.806 -10.559 1.00 0.00 H new ATOM 0 HE22 GLN A 11 9.706 9.700 -9.360 1.00 0.00 H new ATOM 148 N VAL A 12 6.339 3.389 -8.199 1.00 0.00 N ATOM 149 CA VAL A 12 5.468 2.598 -7.347 1.00 0.00 C ATOM 150 C VAL A 12 5.755 1.112 -7.569 1.00 0.00 C ATOM 151 O VAL A 12 5.996 0.373 -6.616 1.00 0.00 O ATOM 152 CB VAL A 12 4.006 2.969 -7.605 1.00 0.00 C ATOM 153 CG1 VAL A 12 3.065 2.119 -6.748 1.00 0.00 C ATOM 154 CG2 VAL A 12 3.768 4.461 -7.365 1.00 0.00 C ATOM 0 H VAL A 12 5.872 4.143 -8.704 1.00 0.00 H new ATOM 0 HA VAL A 12 5.664 2.813 -6.297 1.00 0.00 H new ATOM 0 HB VAL A 12 3.787 2.759 -8.652 1.00 0.00 H new ATOM 0 HG11 VAL A 12 2.032 2.403 -6.951 1.00 0.00 H new ATOM 0 HG12 VAL A 12 3.206 1.065 -6.989 1.00 0.00 H new ATOM 0 HG13 VAL A 12 3.286 2.283 -5.693 1.00 0.00 H new ATOM 0 HG21 VAL A 12 2.721 4.698 -7.555 1.00 0.00 H new ATOM 0 HG22 VAL A 12 4.014 4.707 -6.332 1.00 0.00 H new ATOM 0 HG23 VAL A 12 4.399 5.043 -8.036 1.00 0.00 H new ATOM 164 N GLU A 13 5.720 0.718 -8.834 1.00 0.00 N ATOM 165 CA GLU A 13 5.975 -0.667 -9.193 1.00 0.00 C ATOM 166 C GLU A 13 7.193 -1.197 -8.435 1.00 0.00 C ATOM 167 O GLU A 13 7.098 -2.193 -7.719 1.00 0.00 O ATOM 168 CB GLU A 13 6.162 -0.815 -10.704 1.00 0.00 C ATOM 169 CG GLU A 13 4.865 -0.496 -11.451 1.00 0.00 C ATOM 170 CD GLU A 13 4.646 -1.472 -12.610 1.00 0.00 C ATOM 171 OE1 GLU A 13 5.177 -1.182 -13.704 1.00 0.00 O ATOM 172 OE2 GLU A 13 3.951 -2.484 -12.375 1.00 0.00 O ATOM 0 H GLU A 13 5.519 1.333 -9.622 1.00 0.00 H new ATOM 0 HA GLU A 13 5.108 -1.262 -8.907 1.00 0.00 H new ATOM 0 HB2 GLU A 13 6.955 -0.148 -11.043 1.00 0.00 H new ATOM 0 HB3 GLU A 13 6.479 -1.831 -10.937 1.00 0.00 H new ATOM 0 HG2 GLU A 13 4.022 -0.549 -10.762 1.00 0.00 H new ATOM 0 HG3 GLU A 13 4.902 0.525 -11.832 1.00 0.00 H new ATOM 179 N LEU A 14 8.310 -0.509 -8.619 1.00 0.00 N ATOM 180 CA LEU A 14 9.546 -0.898 -7.961 1.00 0.00 C ATOM 181 C LEU A 14 9.297 -1.036 -6.458 1.00 0.00 C ATOM 182 O LEU A 14 9.706 -2.021 -5.845 1.00 0.00 O ATOM 183 CB LEU A 14 10.670 0.080 -8.311 1.00 0.00 C ATOM 184 CG LEU A 14 12.065 -0.294 -7.806 1.00 0.00 C ATOM 185 CD1 LEU A 14 12.438 -1.716 -8.229 1.00 0.00 C ATOM 186 CD2 LEU A 14 13.106 0.731 -8.262 1.00 0.00 C ATOM 0 H LEU A 14 8.385 0.316 -9.214 1.00 0.00 H new ATOM 0 HA LEU A 14 9.879 -1.872 -8.320 1.00 0.00 H new ATOM 0 HB2 LEU A 14 10.713 0.181 -9.395 1.00 0.00 H new ATOM 0 HB3 LEU A 14 10.410 1.060 -7.910 1.00 0.00 H new ATOM 0 HG LEU A 14 12.050 -0.275 -6.716 1.00 0.00 H new ATOM 0 HD11 LEU A 14 13.434 -1.957 -7.857 1.00 0.00 H new ATOM 0 HD12 LEU A 14 11.716 -2.420 -7.815 1.00 0.00 H new ATOM 0 HD13 LEU A 14 12.430 -1.786 -9.317 1.00 0.00 H new ATOM 0 HD21 LEU A 14 14.089 0.442 -7.890 1.00 0.00 H new ATOM 0 HD22 LEU A 14 13.127 0.768 -9.351 1.00 0.00 H new ATOM 0 HD23 LEU A 14 12.845 1.714 -7.870 1.00 0.00 H new ATOM 198 N LEU A 15 8.627 -0.035 -5.907 1.00 0.00 N ATOM 199 CA LEU A 15 8.318 -0.033 -4.487 1.00 0.00 C ATOM 200 C LEU A 15 7.537 -1.301 -4.137 1.00 0.00 C ATOM 201 O LEU A 15 8.069 -2.206 -3.496 1.00 0.00 O ATOM 202 CB LEU A 15 7.599 1.260 -4.097 1.00 0.00 C ATOM 203 CG LEU A 15 6.979 1.287 -2.698 1.00 0.00 C ATOM 204 CD1 LEU A 15 8.057 1.173 -1.618 1.00 0.00 C ATOM 205 CD2 LEU A 15 6.108 2.530 -2.508 1.00 0.00 C ATOM 0 H LEU A 15 8.289 0.781 -6.418 1.00 0.00 H new ATOM 0 HA LEU A 15 9.235 -0.051 -3.898 1.00 0.00 H new ATOM 0 HB2 LEU A 15 8.308 2.084 -4.175 1.00 0.00 H new ATOM 0 HB3 LEU A 15 6.811 1.448 -4.826 1.00 0.00 H new ATOM 0 HG LEU A 15 6.328 0.419 -2.597 1.00 0.00 H new ATOM 0 HD11 LEU A 15 7.590 1.195 -0.634 1.00 0.00 H new ATOM 0 HD12 LEU A 15 8.598 0.235 -1.742 1.00 0.00 H new ATOM 0 HD13 LEU A 15 8.752 2.008 -1.708 1.00 0.00 H new ATOM 0 HD21 LEU A 15 5.680 2.524 -1.506 1.00 0.00 H new ATOM 0 HD22 LEU A 15 6.717 3.424 -2.637 1.00 0.00 H new ATOM 0 HD23 LEU A 15 5.305 2.528 -3.246 1.00 0.00 H new ATOM 217 N PHE A 16 6.286 -1.326 -4.574 1.00 0.00 N ATOM 218 CA PHE A 16 5.426 -2.468 -4.315 1.00 0.00 C ATOM 219 C PHE A 16 6.178 -3.782 -4.536 1.00 0.00 C ATOM 220 O PHE A 16 6.187 -4.651 -3.666 1.00 0.00 O ATOM 221 CB PHE A 16 4.263 -2.386 -5.306 1.00 0.00 C ATOM 222 CG PHE A 16 3.223 -1.319 -4.958 1.00 0.00 C ATOM 223 CD1 PHE A 16 3.493 -0.393 -3.999 1.00 0.00 C ATOM 224 CD2 PHE A 16 2.029 -1.296 -5.608 1.00 0.00 C ATOM 225 CE1 PHE A 16 2.528 0.597 -3.676 1.00 0.00 C ATOM 226 CE2 PHE A 16 1.063 -0.306 -5.285 1.00 0.00 C ATOM 227 CZ PHE A 16 1.334 0.620 -4.326 1.00 0.00 C ATOM 0 H PHE A 16 5.848 -0.574 -5.106 1.00 0.00 H new ATOM 0 HA PHE A 16 5.081 -2.448 -3.281 1.00 0.00 H new ATOM 0 HB2 PHE A 16 4.660 -2.181 -6.300 1.00 0.00 H new ATOM 0 HB3 PHE A 16 3.770 -3.357 -5.353 1.00 0.00 H new ATOM 0 HD1 PHE A 16 4.442 -0.411 -3.483 1.00 0.00 H new ATOM 0 HD2 PHE A 16 1.815 -2.031 -6.370 1.00 0.00 H new ATOM 0 HE1 PHE A 16 2.742 1.332 -2.914 1.00 0.00 H new ATOM 0 HE2 PHE A 16 0.114 -0.288 -5.800 1.00 0.00 H new ATOM 0 HZ PHE A 16 0.600 1.374 -4.081 1.00 0.00 H new ATOM 237 N ASN A 17 6.790 -3.886 -5.707 1.00 0.00 N ATOM 238 CA ASN A 17 7.543 -5.079 -6.054 1.00 0.00 C ATOM 239 C ASN A 17 8.663 -5.286 -5.032 1.00 0.00 C ATOM 240 O ASN A 17 8.900 -6.407 -4.584 1.00 0.00 O ATOM 241 CB ASN A 17 8.184 -4.943 -7.436 1.00 0.00 C ATOM 242 CG ASN A 17 7.153 -5.173 -8.544 1.00 0.00 C ATOM 243 OD1 ASN A 17 5.996 -4.801 -8.437 1.00 0.00 O ATOM 244 ND2 ASN A 17 7.636 -5.803 -9.610 1.00 0.00 N ATOM 0 H ASN A 17 6.780 -3.164 -6.427 1.00 0.00 H new ATOM 0 HA ASN A 17 6.854 -5.923 -6.057 1.00 0.00 H new ATOM 0 HB2 ASN A 17 8.621 -3.950 -7.542 1.00 0.00 H new ATOM 0 HB3 ASN A 17 8.997 -5.662 -7.536 1.00 0.00 H new ATOM 0 HD21 ASN A 17 7.027 -6.002 -10.404 1.00 0.00 H new ATOM 0 HD22 ASN A 17 8.615 -6.087 -9.634 1.00 0.00 H new ATOM 251 N THR A 18 9.322 -4.188 -4.693 1.00 0.00 N ATOM 252 CA THR A 18 10.411 -4.235 -3.732 1.00 0.00 C ATOM 253 C THR A 18 9.904 -4.729 -2.376 1.00 0.00 C ATOM 254 O THR A 18 10.424 -5.703 -1.833 1.00 0.00 O ATOM 255 CB THR A 18 11.049 -2.845 -3.673 1.00 0.00 C ATOM 256 OG1 THR A 18 11.778 -2.746 -4.893 1.00 0.00 O ATOM 257 CG2 THR A 18 12.122 -2.740 -2.587 1.00 0.00 C ATOM 0 H THR A 18 9.123 -3.260 -5.067 1.00 0.00 H new ATOM 0 HA THR A 18 11.177 -4.948 -4.036 1.00 0.00 H new ATOM 0 HB THR A 18 10.276 -2.098 -3.493 1.00 0.00 H new ATOM 0 HG1 THR A 18 11.230 -2.291 -5.566 1.00 0.00 H new ATOM 0 HG21 THR A 18 12.543 -1.735 -2.587 1.00 0.00 H new ATOM 0 HG22 THR A 18 11.676 -2.947 -1.614 1.00 0.00 H new ATOM 0 HG23 THR A 18 12.912 -3.464 -2.785 1.00 0.00 H new ATOM 265 N ARG A 19 8.896 -4.036 -1.868 1.00 0.00 N ATOM 266 CA ARG A 19 8.314 -4.393 -0.586 1.00 0.00 C ATOM 267 C ARG A 19 7.982 -5.886 -0.550 1.00 0.00 C ATOM 268 O ARG A 19 8.271 -6.567 0.432 1.00 0.00 O ATOM 269 CB ARG A 19 7.041 -3.588 -0.316 1.00 0.00 C ATOM 270 CG ARG A 19 7.316 -2.085 -0.389 1.00 0.00 C ATOM 271 CD ARG A 19 8.538 -1.710 0.452 1.00 0.00 C ATOM 272 NE ARG A 19 8.362 -2.190 1.841 1.00 0.00 N ATOM 273 CZ ARG A 19 9.199 -1.901 2.847 1.00 0.00 C ATOM 274 NH1 ARG A 19 10.274 -1.133 2.625 1.00 0.00 N ATOM 275 NH2 ARG A 19 8.961 -2.380 4.075 1.00 0.00 N ATOM 0 H ARG A 19 8.467 -3.229 -2.321 1.00 0.00 H new ATOM 0 HA ARG A 19 9.048 -4.162 0.186 1.00 0.00 H new ATOM 0 HB2 ARG A 19 6.275 -3.857 -1.044 1.00 0.00 H new ATOM 0 HB3 ARG A 19 6.648 -3.842 0.668 1.00 0.00 H new ATOM 0 HG2 ARG A 19 7.480 -1.792 -1.426 1.00 0.00 H new ATOM 0 HG3 ARG A 19 6.444 -1.534 -0.036 1.00 0.00 H new ATOM 0 HD2 ARG A 19 9.437 -2.148 0.018 1.00 0.00 H new ATOM 0 HD3 ARG A 19 8.676 -0.629 0.447 1.00 0.00 H new ATOM 0 HE ARG A 19 7.553 -2.777 2.045 1.00 0.00 H new ATOM 0 HH11 ARG A 19 10.456 -0.768 1.690 1.00 0.00 H new ATOM 0 HH12 ARG A 19 10.911 -0.913 3.391 1.00 0.00 H new ATOM 0 HH21 ARG A 19 8.143 -2.965 4.245 1.00 0.00 H new ATOM 0 HH22 ARG A 19 9.598 -2.160 4.841 1.00 0.00 H new ATOM 289 N TYR A 20 7.379 -6.352 -1.634 1.00 0.00 N ATOM 290 CA TYR A 20 7.004 -7.752 -1.740 1.00 0.00 C ATOM 291 C TYR A 20 8.193 -8.662 -1.424 1.00 0.00 C ATOM 292 O TYR A 20 8.059 -9.625 -0.670 1.00 0.00 O ATOM 293 CB TYR A 20 6.584 -7.967 -3.195 1.00 0.00 C ATOM 294 CG TYR A 20 5.916 -9.319 -3.456 1.00 0.00 C ATOM 295 CD1 TYR A 20 4.843 -9.718 -2.686 1.00 0.00 C ATOM 296 CD2 TYR A 20 6.388 -10.139 -4.461 1.00 0.00 C ATOM 297 CE1 TYR A 20 4.214 -10.991 -2.932 1.00 0.00 C ATOM 298 CE2 TYR A 20 5.760 -11.411 -4.707 1.00 0.00 C ATOM 299 CZ TYR A 20 4.704 -11.774 -3.930 1.00 0.00 C ATOM 300 OH TYR A 20 4.110 -12.976 -4.162 1.00 0.00 O ATOM 0 H TYR A 20 7.141 -5.784 -2.447 1.00 0.00 H new ATOM 0 HA TYR A 20 6.207 -7.991 -1.036 1.00 0.00 H new ATOM 0 HB2 TYR A 20 5.897 -7.172 -3.486 1.00 0.00 H new ATOM 0 HB3 TYR A 20 7.463 -7.878 -3.833 1.00 0.00 H new ATOM 0 HD1 TYR A 20 4.475 -9.077 -1.899 1.00 0.00 H new ATOM 0 HD2 TYR A 20 7.228 -9.826 -5.063 1.00 0.00 H new ATOM 0 HE1 TYR A 20 3.373 -11.316 -2.337 1.00 0.00 H new ATOM 0 HE2 TYR A 20 6.119 -12.062 -5.490 1.00 0.00 H new ATOM 0 HH TYR A 20 4.564 -13.427 -4.904 1.00 0.00 H new ATOM 310 N ALA A 21 9.329 -8.326 -2.018 1.00 0.00 N ATOM 311 CA ALA A 21 10.540 -9.101 -1.809 1.00 0.00 C ATOM 312 C ALA A 21 10.718 -9.369 -0.314 1.00 0.00 C ATOM 313 O ALA A 21 10.940 -10.508 0.094 1.00 0.00 O ATOM 314 CB ALA A 21 11.732 -8.357 -2.415 1.00 0.00 C ATOM 0 H ALA A 21 9.436 -7.528 -2.644 1.00 0.00 H new ATOM 0 HA ALA A 21 10.469 -10.067 -2.310 1.00 0.00 H new ATOM 0 HB1 ALA A 21 12.641 -8.938 -2.259 1.00 0.00 H new ATOM 0 HB2 ALA A 21 11.569 -8.218 -3.484 1.00 0.00 H new ATOM 0 HB3 ALA A 21 11.836 -7.384 -1.935 1.00 0.00 H new ATOM 320 N LYS A 22 10.613 -8.301 0.463 1.00 0.00 N ATOM 321 CA LYS A 22 10.760 -8.407 1.905 1.00 0.00 C ATOM 322 C LYS A 22 9.719 -9.388 2.448 1.00 0.00 C ATOM 323 O LYS A 22 9.954 -10.052 3.456 1.00 0.00 O ATOM 324 CB LYS A 22 10.697 -7.022 2.553 1.00 0.00 C ATOM 325 CG LYS A 22 11.166 -7.076 4.008 1.00 0.00 C ATOM 326 CD LYS A 22 11.207 -5.676 4.623 1.00 0.00 C ATOM 327 CE LYS A 22 11.404 -5.748 6.139 1.00 0.00 C ATOM 328 NZ LYS A 22 12.837 -5.611 6.483 1.00 0.00 N ATOM 0 H LYS A 22 10.428 -7.358 0.121 1.00 0.00 H new ATOM 0 HA LYS A 22 11.741 -8.808 2.160 1.00 0.00 H new ATOM 0 HB2 LYS A 22 11.320 -6.325 1.992 1.00 0.00 H new ATOM 0 HB3 LYS A 22 9.676 -6.642 2.510 1.00 0.00 H new ATOM 0 HG2 LYS A 22 10.496 -7.712 4.587 1.00 0.00 H new ATOM 0 HG3 LYS A 22 12.156 -7.528 4.058 1.00 0.00 H new ATOM 0 HD2 LYS A 22 12.017 -5.102 4.174 1.00 0.00 H new ATOM 0 HD3 LYS A 22 10.280 -5.149 4.398 1.00 0.00 H new ATOM 0 HE2 LYS A 22 10.830 -4.958 6.624 1.00 0.00 H new ATOM 0 HE3 LYS A 22 11.022 -6.697 6.517 1.00 0.00 H new ATOM 0 HZ1 LYS A 22 12.953 -5.662 7.515 1.00 0.00 H new ATOM 0 HZ2 LYS A 22 13.376 -6.380 6.036 1.00 0.00 H new ATOM 0 HZ3 LYS A 22 13.190 -4.695 6.140 1.00 0.00 H new ATOM 342 N ALA A 23 8.590 -9.447 1.756 1.00 0.00 N ATOM 343 CA ALA A 23 7.513 -10.336 2.157 1.00 0.00 C ATOM 344 C ALA A 23 7.894 -11.778 1.817 1.00 0.00 C ATOM 345 O ALA A 23 7.270 -12.720 2.304 1.00 0.00 O ATOM 346 CB ALA A 23 6.213 -9.901 1.478 1.00 0.00 C ATOM 0 H ALA A 23 8.398 -8.894 0.921 1.00 0.00 H new ATOM 0 HA ALA A 23 7.352 -10.283 3.234 1.00 0.00 H new ATOM 0 HB1 ALA A 23 5.405 -10.568 1.779 1.00 0.00 H new ATOM 0 HB2 ALA A 23 5.971 -8.881 1.775 1.00 0.00 H new ATOM 0 HB3 ALA A 23 6.336 -9.944 0.396 1.00 0.00 H new ATOM 352 N ILE A 24 8.917 -11.906 0.984 1.00 0.00 N ATOM 353 CA ILE A 24 9.388 -13.217 0.574 1.00 0.00 C ATOM 354 C ILE A 24 10.855 -13.377 0.980 1.00 0.00 C ATOM 355 O ILE A 24 11.492 -14.373 0.639 1.00 0.00 O ATOM 356 CB ILE A 24 9.137 -13.434 -0.920 1.00 0.00 C ATOM 357 CG1 ILE A 24 9.676 -12.261 -1.742 1.00 0.00 C ATOM 358 CG2 ILE A 24 7.654 -13.692 -1.194 1.00 0.00 C ATOM 359 CD1 ILE A 24 9.623 -12.572 -3.239 1.00 0.00 C ATOM 0 H ILE A 24 9.432 -11.123 0.582 1.00 0.00 H new ATOM 0 HA ILE A 24 8.827 -14.000 1.085 1.00 0.00 H new ATOM 0 HB ILE A 24 9.682 -14.324 -1.233 1.00 0.00 H new ATOM 0 HG12 ILE A 24 9.091 -11.366 -1.532 1.00 0.00 H new ATOM 0 HG13 ILE A 24 10.703 -12.047 -1.447 1.00 0.00 H new ATOM 0 HG21 ILE A 24 7.502 -13.843 -2.263 1.00 0.00 H new ATOM 0 HG22 ILE A 24 7.333 -14.582 -0.653 1.00 0.00 H new ATOM 0 HG23 ILE A 24 7.068 -12.835 -0.862 1.00 0.00 H new ATOM 0 HD11 ILE A 24 10.011 -11.723 -3.801 1.00 0.00 H new ATOM 0 HD12 ILE A 24 10.228 -13.454 -3.449 1.00 0.00 H new ATOM 0 HD13 ILE A 24 8.591 -12.761 -3.535 1.00 0.00 H new ATOM 371 N GLY A 25 11.347 -12.382 1.703 1.00 0.00 N ATOM 372 CA GLY A 25 12.726 -12.400 2.160 1.00 0.00 C ATOM 373 C GLY A 25 13.694 -12.212 0.989 1.00 0.00 C ATOM 374 O GLY A 25 14.810 -12.729 1.012 1.00 0.00 O ATOM 0 H GLY A 25 10.815 -11.558 1.984 1.00 0.00 H new ATOM 0 HA2 GLY A 25 12.880 -11.609 2.894 1.00 0.00 H new ATOM 0 HA3 GLY A 25 12.935 -13.345 2.661 1.00 0.00 H new ATOM 378 N ILE A 26 13.230 -11.471 -0.007 1.00 0.00 N ATOM 379 CA ILE A 26 14.041 -11.209 -1.184 1.00 0.00 C ATOM 380 C ILE A 26 14.601 -9.787 -1.106 1.00 0.00 C ATOM 381 O ILE A 26 13.939 -8.882 -0.600 1.00 0.00 O ATOM 382 CB ILE A 26 13.240 -11.485 -2.458 1.00 0.00 C ATOM 383 CG1 ILE A 26 13.010 -12.986 -2.647 1.00 0.00 C ATOM 384 CG2 ILE A 26 13.912 -10.850 -3.677 1.00 0.00 C ATOM 385 CD1 ILE A 26 12.878 -13.338 -4.130 1.00 0.00 C ATOM 0 H ILE A 26 12.304 -11.044 -0.023 1.00 0.00 H new ATOM 0 HA ILE A 26 14.894 -11.887 -1.218 1.00 0.00 H new ATOM 0 HB ILE A 26 12.260 -11.020 -2.352 1.00 0.00 H new ATOM 0 HG12 ILE A 26 13.839 -13.542 -2.210 1.00 0.00 H new ATOM 0 HG13 ILE A 26 12.108 -13.289 -2.116 1.00 0.00 H new ATOM 0 HG21 ILE A 26 13.322 -11.061 -4.569 1.00 0.00 H new ATOM 0 HG22 ILE A 26 13.980 -9.772 -3.534 1.00 0.00 H new ATOM 0 HG23 ILE A 26 14.913 -11.264 -3.797 1.00 0.00 H new ATOM 0 HD11 ILE A 26 12.715 -14.411 -4.236 1.00 0.00 H new ATOM 0 HD12 ILE A 26 12.033 -12.799 -4.558 1.00 0.00 H new ATOM 0 HD13 ILE A 26 13.791 -13.056 -4.654 1.00 0.00 H new ATOM 397 N SER A 27 15.815 -9.635 -1.614 1.00 0.00 N ATOM 398 CA SER A 27 16.471 -8.339 -1.608 1.00 0.00 C ATOM 399 C SER A 27 16.042 -7.529 -2.834 1.00 0.00 C ATOM 400 O SER A 27 15.854 -6.317 -2.746 1.00 0.00 O ATOM 401 CB SER A 27 17.993 -8.492 -1.581 1.00 0.00 C ATOM 402 OG SER A 27 18.599 -7.635 -0.617 1.00 0.00 O ATOM 0 H SER A 27 16.361 -10.388 -2.032 1.00 0.00 H new ATOM 0 HA SER A 27 16.169 -7.808 -0.705 1.00 0.00 H new ATOM 0 HB2 SER A 27 18.249 -9.528 -1.357 1.00 0.00 H new ATOM 0 HB3 SER A 27 18.397 -8.270 -2.569 1.00 0.00 H new ATOM 0 HG SER A 27 19.570 -7.764 -0.630 1.00 0.00 H new ATOM 408 N GLU A 28 15.899 -8.232 -3.948 1.00 0.00 N ATOM 409 CA GLU A 28 15.495 -7.594 -5.189 1.00 0.00 C ATOM 410 C GLU A 28 13.971 -7.487 -5.259 1.00 0.00 C ATOM 411 O GLU A 28 13.262 -8.166 -4.518 1.00 0.00 O ATOM 412 CB GLU A 28 16.048 -8.349 -6.399 1.00 0.00 C ATOM 413 CG GLU A 28 15.143 -9.525 -6.772 1.00 0.00 C ATOM 414 CD GLU A 28 15.968 -10.777 -7.076 1.00 0.00 C ATOM 415 OE1 GLU A 28 16.860 -10.672 -7.945 1.00 0.00 O ATOM 416 OE2 GLU A 28 15.687 -11.811 -6.432 1.00 0.00 O ATOM 0 H GLU A 28 16.056 -9.238 -4.017 1.00 0.00 H new ATOM 0 HA GLU A 28 15.912 -6.587 -5.209 1.00 0.00 H new ATOM 0 HB2 GLU A 28 16.136 -7.670 -7.247 1.00 0.00 H new ATOM 0 HB3 GLU A 28 17.051 -8.713 -6.177 1.00 0.00 H new ATOM 0 HG2 GLU A 28 14.452 -9.730 -5.954 1.00 0.00 H new ATOM 0 HG3 GLU A 28 14.540 -9.263 -7.641 1.00 0.00 H new ATOM 423 N PRO A 29 13.499 -6.605 -6.181 1.00 0.00 N ATOM 424 CA PRO A 29 12.071 -6.400 -6.357 1.00 0.00 C ATOM 425 C PRO A 29 11.437 -7.575 -7.105 1.00 0.00 C ATOM 426 O PRO A 29 12.016 -8.093 -8.059 1.00 0.00 O ATOM 427 CB PRO A 29 11.952 -5.084 -7.109 1.00 0.00 C ATOM 428 CG PRO A 29 13.317 -4.835 -7.730 1.00 0.00 C ATOM 429 CD PRO A 29 14.308 -5.783 -7.075 1.00 0.00 C ATOM 0 HA PRO A 29 11.533 -6.353 -5.410 1.00 0.00 H new ATOM 0 HB2 PRO A 29 11.179 -5.140 -7.875 1.00 0.00 H new ATOM 0 HB3 PRO A 29 11.675 -4.273 -6.436 1.00 0.00 H new ATOM 0 HG2 PRO A 29 13.283 -5.003 -8.806 1.00 0.00 H new ATOM 0 HG3 PRO A 29 13.622 -3.800 -7.578 1.00 0.00 H new ATOM 0 HD2 PRO A 29 14.822 -6.393 -7.817 1.00 0.00 H new ATOM 0 HD3 PRO A 29 15.075 -5.237 -6.525 1.00 0.00 H new ATOM 437 N VAL A 30 10.256 -7.960 -6.645 1.00 0.00 N ATOM 438 CA VAL A 30 9.537 -9.063 -7.258 1.00 0.00 C ATOM 439 C VAL A 30 8.124 -8.604 -7.626 1.00 0.00 C ATOM 440 O VAL A 30 7.670 -7.556 -7.170 1.00 0.00 O ATOM 441 CB VAL A 30 9.547 -10.277 -6.327 1.00 0.00 C ATOM 442 CG1 VAL A 30 8.589 -11.360 -6.827 1.00 0.00 C ATOM 443 CG2 VAL A 30 10.964 -10.830 -6.164 1.00 0.00 C ATOM 0 H VAL A 30 9.779 -7.527 -5.854 1.00 0.00 H new ATOM 0 HA VAL A 30 10.029 -9.373 -8.180 1.00 0.00 H new ATOM 0 HB VAL A 30 9.200 -9.951 -5.347 1.00 0.00 H new ATOM 0 HG11 VAL A 30 8.616 -12.211 -6.147 1.00 0.00 H new ATOM 0 HG12 VAL A 30 7.576 -10.959 -6.867 1.00 0.00 H new ATOM 0 HG13 VAL A 30 8.892 -11.682 -7.823 1.00 0.00 H new ATOM 0 HG21 VAL A 30 10.944 -11.692 -5.498 1.00 0.00 H new ATOM 0 HG22 VAL A 30 11.351 -11.133 -7.137 1.00 0.00 H new ATOM 0 HG23 VAL A 30 11.609 -10.060 -5.741 1.00 0.00 H new ATOM 453 N LYS A 31 7.470 -9.412 -8.448 1.00 0.00 N ATOM 454 CA LYS A 31 6.118 -9.101 -8.883 1.00 0.00 C ATOM 455 C LYS A 31 5.167 -9.207 -7.689 1.00 0.00 C ATOM 456 O LYS A 31 5.352 -10.052 -6.815 1.00 0.00 O ATOM 457 CB LYS A 31 5.720 -9.985 -10.066 1.00 0.00 C ATOM 458 CG LYS A 31 6.549 -9.647 -11.307 1.00 0.00 C ATOM 459 CD LYS A 31 5.929 -10.258 -12.565 1.00 0.00 C ATOM 460 CE LYS A 31 6.958 -11.085 -13.337 1.00 0.00 C ATOM 461 NZ LYS A 31 6.361 -12.359 -13.796 1.00 0.00 N ATOM 0 H LYS A 31 7.850 -10.281 -8.824 1.00 0.00 H new ATOM 0 HA LYS A 31 6.061 -8.075 -9.248 1.00 0.00 H new ATOM 0 HB2 LYS A 31 5.861 -11.034 -9.805 1.00 0.00 H new ATOM 0 HB3 LYS A 31 4.661 -9.851 -10.284 1.00 0.00 H new ATOM 0 HG2 LYS A 31 6.617 -8.565 -11.420 1.00 0.00 H new ATOM 0 HG3 LYS A 31 7.566 -10.019 -11.181 1.00 0.00 H new ATOM 0 HD2 LYS A 31 5.084 -10.888 -12.289 1.00 0.00 H new ATOM 0 HD3 LYS A 31 5.540 -9.466 -13.205 1.00 0.00 H new ATOM 0 HE2 LYS A 31 7.321 -10.517 -14.194 1.00 0.00 H new ATOM 0 HE3 LYS A 31 7.820 -11.289 -12.702 1.00 0.00 H new ATOM 0 HZ1 LYS A 31 7.073 -12.908 -14.318 1.00 0.00 H new ATOM 0 HZ2 LYS A 31 6.037 -12.907 -12.973 1.00 0.00 H new ATOM 0 HZ3 LYS A 31 5.553 -12.159 -14.419 1.00 0.00 H new ATOM 475 N VAL A 32 4.168 -8.335 -7.690 1.00 0.00 N ATOM 476 CA VAL A 32 3.188 -8.320 -6.619 1.00 0.00 C ATOM 477 C VAL A 32 1.875 -8.922 -7.125 1.00 0.00 C ATOM 478 O VAL A 32 1.235 -8.365 -8.015 1.00 0.00 O ATOM 479 CB VAL A 32 3.024 -6.897 -6.080 1.00 0.00 C ATOM 480 CG1 VAL A 32 1.665 -6.722 -5.399 1.00 0.00 C ATOM 481 CG2 VAL A 32 4.165 -6.536 -5.128 1.00 0.00 C ATOM 0 H VAL A 32 4.017 -7.635 -8.416 1.00 0.00 H new ATOM 0 HA VAL A 32 3.526 -8.933 -5.784 1.00 0.00 H new ATOM 0 HB VAL A 32 3.065 -6.212 -6.926 1.00 0.00 H new ATOM 0 HG11 VAL A 32 1.574 -5.702 -5.025 1.00 0.00 H new ATOM 0 HG12 VAL A 32 0.870 -6.917 -6.118 1.00 0.00 H new ATOM 0 HG13 VAL A 32 1.582 -7.422 -4.568 1.00 0.00 H new ATOM 0 HG21 VAL A 32 4.024 -5.520 -4.760 1.00 0.00 H new ATOM 0 HG22 VAL A 32 4.170 -7.229 -4.287 1.00 0.00 H new ATOM 0 HG23 VAL A 32 5.115 -6.601 -5.658 1.00 0.00 H new ATOM 491 N PRO A 33 1.505 -10.083 -6.520 1.00 0.00 N ATOM 492 CA PRO A 33 0.281 -10.767 -6.901 1.00 0.00 C ATOM 493 C PRO A 33 -0.947 -10.044 -6.344 1.00 0.00 C ATOM 494 O PRO A 33 -1.678 -10.596 -5.523 1.00 0.00 O ATOM 495 CB PRO A 33 0.435 -12.179 -6.360 1.00 0.00 C ATOM 496 CG PRO A 33 1.524 -12.103 -5.302 1.00 0.00 C ATOM 497 CD PRO A 33 2.238 -10.772 -5.463 1.00 0.00 C ATOM 0 HA PRO A 33 0.126 -10.783 -7.980 1.00 0.00 H new ATOM 0 HB2 PRO A 33 -0.501 -12.538 -5.932 1.00 0.00 H new ATOM 0 HB3 PRO A 33 0.709 -12.874 -7.154 1.00 0.00 H new ATOM 0 HG2 PRO A 33 1.093 -12.187 -4.304 1.00 0.00 H new ATOM 0 HG3 PRO A 33 2.226 -12.929 -5.417 1.00 0.00 H new ATOM 0 HD2 PRO A 33 2.224 -10.201 -4.535 1.00 0.00 H new ATOM 0 HD3 PRO A 33 3.284 -10.914 -5.735 1.00 0.00 H new ATOM 505 N TYR A 34 -1.136 -8.819 -6.812 1.00 0.00 N ATOM 506 CA TYR A 34 -2.263 -8.015 -6.371 1.00 0.00 C ATOM 507 C TYR A 34 -3.503 -8.883 -6.148 1.00 0.00 C ATOM 508 O TYR A 34 -4.016 -8.964 -5.033 1.00 0.00 O ATOM 509 CB TYR A 34 -2.545 -7.026 -7.504 1.00 0.00 C ATOM 510 CG TYR A 34 -1.431 -6.002 -7.728 1.00 0.00 C ATOM 511 CD1 TYR A 34 -0.775 -5.448 -6.648 1.00 0.00 C ATOM 512 CD2 TYR A 34 -1.081 -5.633 -9.011 1.00 0.00 C ATOM 513 CE1 TYR A 34 0.274 -4.484 -6.859 1.00 0.00 C ATOM 514 CE2 TYR A 34 -0.032 -4.669 -9.222 1.00 0.00 C ATOM 515 CZ TYR A 34 0.594 -4.142 -8.136 1.00 0.00 C ATOM 516 OH TYR A 34 1.584 -3.232 -8.335 1.00 0.00 O ATOM 0 H TYR A 34 -0.528 -8.364 -7.492 1.00 0.00 H new ATOM 0 HA TYR A 34 -2.033 -7.517 -5.429 1.00 0.00 H new ATOM 0 HB2 TYR A 34 -2.704 -7.583 -8.427 1.00 0.00 H new ATOM 0 HB3 TYR A 34 -3.473 -6.497 -7.288 1.00 0.00 H new ATOM 0 HD1 TYR A 34 -1.048 -5.737 -5.644 1.00 0.00 H new ATOM 0 HD2 TYR A 34 -1.594 -6.067 -9.857 1.00 0.00 H new ATOM 0 HE1 TYR A 34 0.795 -4.043 -6.022 1.00 0.00 H new ATOM 0 HE2 TYR A 34 0.251 -4.371 -10.221 1.00 0.00 H new ATOM 0 HH TYR A 34 1.705 -3.085 -9.296 1.00 0.00 H new ATOM 526 N SER A 35 -3.948 -9.511 -7.226 1.00 0.00 N ATOM 527 CA SER A 35 -5.118 -10.371 -7.162 1.00 0.00 C ATOM 528 C SER A 35 -5.107 -11.173 -5.859 1.00 0.00 C ATOM 529 O SER A 35 -6.069 -11.134 -5.094 1.00 0.00 O ATOM 530 CB SER A 35 -5.175 -11.314 -8.365 1.00 0.00 C ATOM 531 OG SER A 35 -3.876 -11.721 -8.787 1.00 0.00 O ATOM 0 H SER A 35 -3.520 -9.442 -8.149 1.00 0.00 H new ATOM 0 HA SER A 35 -6.007 -9.741 -7.186 1.00 0.00 H new ATOM 0 HB2 SER A 35 -5.765 -12.194 -8.108 1.00 0.00 H new ATOM 0 HB3 SER A 35 -5.685 -10.818 -9.191 1.00 0.00 H new ATOM 0 HG SER A 35 -3.956 -12.323 -9.556 1.00 0.00 H new ATOM 537 N LYS A 36 -4.008 -11.882 -5.647 1.00 0.00 N ATOM 538 CA LYS A 36 -3.859 -12.692 -4.450 1.00 0.00 C ATOM 539 C LYS A 36 -4.227 -11.854 -3.224 1.00 0.00 C ATOM 540 O LYS A 36 -4.937 -12.325 -2.336 1.00 0.00 O ATOM 541 CB LYS A 36 -2.456 -13.297 -4.383 1.00 0.00 C ATOM 542 CG LYS A 36 -2.187 -14.193 -5.594 1.00 0.00 C ATOM 543 CD LYS A 36 -3.307 -15.219 -5.776 1.00 0.00 C ATOM 544 CE LYS A 36 -3.573 -15.978 -4.474 1.00 0.00 C ATOM 545 NZ LYS A 36 -4.346 -17.211 -4.742 1.00 0.00 N ATOM 0 H LYS A 36 -3.212 -11.912 -6.284 1.00 0.00 H new ATOM 0 HA LYS A 36 -4.545 -13.539 -4.475 1.00 0.00 H new ATOM 0 HB2 LYS A 36 -1.714 -12.500 -4.344 1.00 0.00 H new ATOM 0 HB3 LYS A 36 -2.349 -13.877 -3.466 1.00 0.00 H new ATOM 0 HG2 LYS A 36 -2.100 -13.581 -6.492 1.00 0.00 H new ATOM 0 HG3 LYS A 36 -1.235 -14.708 -5.466 1.00 0.00 H new ATOM 0 HD2 LYS A 36 -4.218 -14.715 -6.100 1.00 0.00 H new ATOM 0 HD3 LYS A 36 -3.036 -15.923 -6.563 1.00 0.00 H new ATOM 0 HE2 LYS A 36 -2.628 -16.231 -3.994 1.00 0.00 H new ATOM 0 HE3 LYS A 36 -4.122 -15.341 -3.780 1.00 0.00 H new ATOM 0 HZ1 LYS A 36 -5.180 -17.239 -4.122 1.00 0.00 H new ATOM 0 HZ2 LYS A 36 -4.653 -17.219 -5.736 1.00 0.00 H new ATOM 0 HZ3 LYS A 36 -3.749 -18.042 -4.557 1.00 0.00 H new ATOM 559 N PHE A 37 -3.726 -10.628 -3.213 1.00 0.00 N ATOM 560 CA PHE A 37 -3.993 -9.720 -2.110 1.00 0.00 C ATOM 561 C PHE A 37 -5.412 -9.154 -2.197 1.00 0.00 C ATOM 562 O PHE A 37 -5.960 -8.688 -1.199 1.00 0.00 O ATOM 563 CB PHE A 37 -2.990 -8.570 -2.224 1.00 0.00 C ATOM 564 CG PHE A 37 -1.602 -8.898 -1.669 1.00 0.00 C ATOM 565 CD1 PHE A 37 -0.716 -9.602 -2.422 1.00 0.00 C ATOM 566 CD2 PHE A 37 -1.255 -8.484 -0.420 1.00 0.00 C ATOM 567 CE1 PHE A 37 0.571 -9.905 -1.907 1.00 0.00 C ATOM 568 CE2 PHE A 37 0.033 -8.787 0.095 1.00 0.00 C ATOM 569 CZ PHE A 37 0.919 -9.492 -0.659 1.00 0.00 C ATOM 0 H PHE A 37 -3.136 -10.242 -3.950 1.00 0.00 H new ATOM 0 HA PHE A 37 -3.899 -10.249 -1.162 1.00 0.00 H new ATOM 0 HB2 PHE A 37 -2.894 -8.288 -3.272 1.00 0.00 H new ATOM 0 HB3 PHE A 37 -3.386 -7.703 -1.696 1.00 0.00 H new ATOM 0 HD1 PHE A 37 -0.992 -9.931 -3.413 1.00 0.00 H new ATOM 0 HD2 PHE A 37 -1.959 -7.925 0.179 1.00 0.00 H new ATOM 0 HE1 PHE A 37 1.274 -10.464 -2.506 1.00 0.00 H new ATOM 0 HE2 PHE A 37 0.309 -8.458 1.086 1.00 0.00 H new ATOM 0 HZ PHE A 37 1.898 -9.724 -0.267 1.00 0.00 H new ATOM 579 N LEU A 38 -5.966 -9.213 -3.399 1.00 0.00 N ATOM 580 CA LEU A 38 -7.310 -8.712 -3.629 1.00 0.00 C ATOM 581 C LEU A 38 -8.326 -9.752 -3.152 1.00 0.00 C ATOM 582 O LEU A 38 -9.184 -9.453 -2.323 1.00 0.00 O ATOM 583 CB LEU A 38 -7.487 -8.305 -5.093 1.00 0.00 C ATOM 584 CG LEU A 38 -6.586 -7.172 -5.588 1.00 0.00 C ATOM 585 CD1 LEU A 38 -6.739 -6.969 -7.097 1.00 0.00 C ATOM 586 CD2 LEU A 38 -6.848 -5.883 -4.807 1.00 0.00 C ATOM 0 H LEU A 38 -5.508 -9.600 -4.224 1.00 0.00 H new ATOM 0 HA LEU A 38 -7.484 -7.806 -3.048 1.00 0.00 H new ATOM 0 HB2 LEU A 38 -7.311 -9.181 -5.717 1.00 0.00 H new ATOM 0 HB3 LEU A 38 -8.525 -8.009 -5.244 1.00 0.00 H new ATOM 0 HG LEU A 38 -5.549 -7.455 -5.405 1.00 0.00 H new ATOM 0 HD11 LEU A 38 -6.088 -6.158 -7.423 1.00 0.00 H new ATOM 0 HD12 LEU A 38 -6.464 -7.887 -7.617 1.00 0.00 H new ATOM 0 HD13 LEU A 38 -7.774 -6.718 -7.327 1.00 0.00 H new ATOM 0 HD21 LEU A 38 -6.195 -5.093 -5.178 1.00 0.00 H new ATOM 0 HD22 LEU A 38 -7.888 -5.584 -4.936 1.00 0.00 H new ATOM 0 HD23 LEU A 38 -6.648 -6.052 -3.749 1.00 0.00 H new ATOM 598 N MET A 39 -8.195 -10.953 -3.697 1.00 0.00 N ATOM 599 CA MET A 39 -9.091 -12.039 -3.337 1.00 0.00 C ATOM 600 C MET A 39 -8.848 -12.497 -1.898 1.00 0.00 C ATOM 601 O MET A 39 -9.732 -13.078 -1.270 1.00 0.00 O ATOM 602 CB MET A 39 -8.874 -13.216 -4.291 1.00 0.00 C ATOM 603 CG MET A 39 -9.118 -12.798 -5.742 1.00 0.00 C ATOM 604 SD MET A 39 -9.062 -14.229 -6.808 1.00 0.00 S ATOM 605 CE MET A 39 -7.296 -14.433 -6.960 1.00 0.00 C ATOM 0 H MET A 39 -7.482 -11.198 -4.385 1.00 0.00 H new ATOM 0 HA MET A 39 -10.117 -11.680 -3.415 1.00 0.00 H new ATOM 0 HB2 MET A 39 -7.857 -13.593 -4.184 1.00 0.00 H new ATOM 0 HB3 MET A 39 -9.546 -14.032 -4.026 1.00 0.00 H new ATOM 0 HG2 MET A 39 -10.087 -12.307 -5.829 1.00 0.00 H new ATOM 0 HG3 MET A 39 -8.365 -12.074 -6.052 1.00 0.00 H new ATOM 0 HE1 MET A 39 -6.991 -14.211 -7.983 1.00 0.00 H new ATOM 0 HE2 MET A 39 -6.791 -13.753 -6.275 1.00 0.00 H new ATOM 0 HE3 MET A 39 -7.026 -15.460 -6.716 1.00 0.00 H new ATOM 615 N HIS A 40 -7.646 -12.217 -1.416 1.00 0.00 N ATOM 616 CA HIS A 40 -7.276 -12.592 -0.063 1.00 0.00 C ATOM 617 C HIS A 40 -6.669 -11.386 0.657 1.00 0.00 C ATOM 618 O HIS A 40 -5.474 -11.369 0.949 1.00 0.00 O ATOM 619 CB HIS A 40 -6.346 -13.807 -0.071 1.00 0.00 C ATOM 620 CG HIS A 40 -6.775 -14.903 -1.016 1.00 0.00 C ATOM 621 ND1 HIS A 40 -7.671 -15.895 -0.657 1.00 0.00 N ATOM 622 CD2 HIS A 40 -6.424 -15.153 -2.310 1.00 0.00 C ATOM 623 CE1 HIS A 40 -7.843 -16.700 -1.695 1.00 0.00 C ATOM 624 NE2 HIS A 40 -7.069 -16.238 -2.719 1.00 0.00 N ATOM 0 H HIS A 40 -6.916 -11.734 -1.939 1.00 0.00 H new ATOM 0 HA HIS A 40 -8.166 -12.892 0.491 1.00 0.00 H new ATOM 0 HB2 HIS A 40 -5.342 -13.481 -0.341 1.00 0.00 H new ATOM 0 HB3 HIS A 40 -6.288 -14.214 0.939 1.00 0.00 H new ATOM 0 HD1 HIS A 40 -8.122 -15.990 0.253 1.00 0.00 H new ATOM 0 HD2 HIS A 40 -5.737 -14.567 -2.902 1.00 0.00 H new ATOM 0 HE1 HIS A 40 -8.483 -17.569 -1.725 1.00 0.00 H new ATOM 632 N PRO A 41 -7.543 -10.380 0.929 1.00 0.00 N ATOM 633 CA PRO A 41 -7.106 -9.172 1.609 1.00 0.00 C ATOM 634 C PRO A 41 -6.886 -9.432 3.101 1.00 0.00 C ATOM 635 O PRO A 41 -6.099 -8.741 3.745 1.00 0.00 O ATOM 636 CB PRO A 41 -8.198 -8.151 1.338 1.00 0.00 C ATOM 637 CG PRO A 41 -9.420 -8.950 0.914 1.00 0.00 C ATOM 638 CD PRO A 41 -8.965 -10.365 0.598 1.00 0.00 C ATOM 0 HA PRO A 41 -6.143 -8.810 1.248 1.00 0.00 H new ATOM 0 HB2 PRO A 41 -8.408 -7.559 2.228 1.00 0.00 H new ATOM 0 HB3 PRO A 41 -7.896 -7.455 0.556 1.00 0.00 H new ATOM 0 HG2 PRO A 41 -10.166 -8.957 1.709 1.00 0.00 H new ATOM 0 HG3 PRO A 41 -9.889 -8.496 0.041 1.00 0.00 H new ATOM 0 HD2 PRO A 41 -9.516 -11.099 1.186 1.00 0.00 H new ATOM 0 HD3 PRO A 41 -9.130 -10.609 -0.452 1.00 0.00 H new ATOM 646 N GLU A 42 -7.598 -10.429 3.606 1.00 0.00 N ATOM 647 CA GLU A 42 -7.491 -10.788 5.010 1.00 0.00 C ATOM 648 C GLU A 42 -6.222 -11.609 5.252 1.00 0.00 C ATOM 649 O GLU A 42 -5.706 -11.645 6.369 1.00 0.00 O ATOM 650 CB GLU A 42 -8.733 -11.549 5.477 1.00 0.00 C ATOM 651 CG GLU A 42 -9.687 -10.625 6.238 1.00 0.00 C ATOM 652 CD GLU A 42 -9.765 -11.014 7.716 1.00 0.00 C ATOM 653 OE1 GLU A 42 -10.119 -12.184 7.977 1.00 0.00 O ATOM 654 OE2 GLU A 42 -9.468 -10.132 8.551 1.00 0.00 O ATOM 0 H GLU A 42 -8.251 -10.999 3.068 1.00 0.00 H new ATOM 0 HA GLU A 42 -7.425 -9.871 5.596 1.00 0.00 H new ATOM 0 HB2 GLU A 42 -9.246 -11.979 4.616 1.00 0.00 H new ATOM 0 HB3 GLU A 42 -8.436 -12.379 6.118 1.00 0.00 H new ATOM 0 HG2 GLU A 42 -9.349 -9.593 6.147 1.00 0.00 H new ATOM 0 HG3 GLU A 42 -10.680 -10.675 5.792 1.00 0.00 H new ATOM 661 N GLU A 43 -5.756 -12.247 4.189 1.00 0.00 N ATOM 662 CA GLU A 43 -4.558 -13.065 4.273 1.00 0.00 C ATOM 663 C GLU A 43 -3.337 -12.265 3.815 1.00 0.00 C ATOM 664 O GLU A 43 -2.346 -12.168 4.538 1.00 0.00 O ATOM 665 CB GLU A 43 -4.712 -14.348 3.454 1.00 0.00 C ATOM 666 CG GLU A 43 -5.798 -15.249 4.046 1.00 0.00 C ATOM 667 CD GLU A 43 -7.178 -14.601 3.917 1.00 0.00 C ATOM 668 OE1 GLU A 43 -7.730 -14.658 2.797 1.00 0.00 O ATOM 669 OE2 GLU A 43 -7.649 -14.063 4.942 1.00 0.00 O ATOM 0 H GLU A 43 -6.186 -12.214 3.265 1.00 0.00 H new ATOM 0 HA GLU A 43 -4.410 -13.353 5.314 1.00 0.00 H new ATOM 0 HB2 GLU A 43 -4.964 -14.098 2.423 1.00 0.00 H new ATOM 0 HB3 GLU A 43 -3.763 -14.884 3.429 1.00 0.00 H new ATOM 0 HG2 GLU A 43 -5.795 -16.212 3.535 1.00 0.00 H new ATOM 0 HG3 GLU A 43 -5.581 -15.445 5.096 1.00 0.00 H new ATOM 676 N LEU A 44 -3.447 -11.713 2.616 1.00 0.00 N ATOM 677 CA LEU A 44 -2.364 -10.924 2.053 1.00 0.00 C ATOM 678 C LEU A 44 -2.817 -9.470 1.911 1.00 0.00 C ATOM 679 O LEU A 44 -3.737 -9.174 1.150 1.00 0.00 O ATOM 680 CB LEU A 44 -1.873 -11.546 0.743 1.00 0.00 C ATOM 681 CG LEU A 44 -1.925 -13.073 0.665 1.00 0.00 C ATOM 682 CD1 LEU A 44 -1.883 -13.549 -0.788 1.00 0.00 C ATOM 683 CD2 LEU A 44 -0.813 -13.703 1.506 1.00 0.00 C ATOM 0 H LEU A 44 -4.269 -11.796 2.018 1.00 0.00 H new ATOM 0 HA LEU A 44 -1.504 -10.926 2.723 1.00 0.00 H new ATOM 0 HB2 LEU A 44 -2.468 -11.140 -0.075 1.00 0.00 H new ATOM 0 HB3 LEU A 44 -0.844 -11.228 0.576 1.00 0.00 H new ATOM 0 HG LEU A 44 -2.874 -13.404 1.086 1.00 0.00 H new ATOM 0 HD11 LEU A 44 -1.921 -14.638 -0.815 1.00 0.00 H new ATOM 0 HD12 LEU A 44 -2.737 -13.142 -1.329 1.00 0.00 H new ATOM 0 HD13 LEU A 44 -0.960 -13.206 -1.257 1.00 0.00 H new ATOM 0 HD21 LEU A 44 -0.873 -14.789 1.433 1.00 0.00 H new ATOM 0 HD22 LEU A 44 0.156 -13.367 1.138 1.00 0.00 H new ATOM 0 HD23 LEU A 44 -0.929 -13.402 2.547 1.00 0.00 H new ATOM 695 N PHE A 45 -2.151 -8.601 2.657 1.00 0.00 N ATOM 696 CA PHE A 45 -2.474 -7.184 2.624 1.00 0.00 C ATOM 697 C PHE A 45 -1.212 -6.331 2.769 1.00 0.00 C ATOM 698 O PHE A 45 -0.115 -6.862 2.932 1.00 0.00 O ATOM 699 CB PHE A 45 -3.400 -6.909 3.810 1.00 0.00 C ATOM 700 CG PHE A 45 -2.839 -7.369 5.158 1.00 0.00 C ATOM 701 CD1 PHE A 45 -1.915 -6.609 5.804 1.00 0.00 C ATOM 702 CD2 PHE A 45 -3.266 -8.536 5.709 1.00 0.00 C ATOM 703 CE1 PHE A 45 -1.394 -7.035 7.054 1.00 0.00 C ATOM 704 CE2 PHE A 45 -2.745 -8.962 6.960 1.00 0.00 C ATOM 705 CZ PHE A 45 -1.820 -8.203 7.606 1.00 0.00 C ATOM 0 H PHE A 45 -1.389 -8.850 3.288 1.00 0.00 H new ATOM 0 HA PHE A 45 -2.944 -6.931 1.674 1.00 0.00 H new ATOM 0 HB2 PHE A 45 -3.603 -5.839 3.859 1.00 0.00 H new ATOM 0 HB3 PHE A 45 -4.354 -7.407 3.636 1.00 0.00 H new ATOM 0 HD1 PHE A 45 -1.577 -5.681 5.366 1.00 0.00 H new ATOM 0 HD2 PHE A 45 -4.001 -9.139 5.196 1.00 0.00 H new ATOM 0 HE1 PHE A 45 -0.659 -6.432 7.567 1.00 0.00 H new ATOM 0 HE2 PHE A 45 -3.084 -9.889 7.398 1.00 0.00 H new ATOM 0 HZ PHE A 45 -1.424 -8.527 8.557 1.00 0.00 H new ATOM 715 N VAL A 46 -1.411 -5.022 2.704 1.00 0.00 N ATOM 716 CA VAL A 46 -0.303 -4.090 2.826 1.00 0.00 C ATOM 717 C VAL A 46 -0.560 -3.152 4.007 1.00 0.00 C ATOM 718 O VAL A 46 -1.702 -2.784 4.276 1.00 0.00 O ATOM 719 CB VAL A 46 -0.097 -3.347 1.505 1.00 0.00 C ATOM 720 CG1 VAL A 46 0.855 -2.162 1.685 1.00 0.00 C ATOM 721 CG2 VAL A 46 0.408 -4.295 0.415 1.00 0.00 C ATOM 0 H VAL A 46 -2.323 -4.585 2.568 1.00 0.00 H new ATOM 0 HA VAL A 46 0.625 -4.623 3.031 1.00 0.00 H new ATOM 0 HB VAL A 46 -1.063 -2.956 1.187 1.00 0.00 H new ATOM 0 HG11 VAL A 46 0.984 -1.651 0.731 1.00 0.00 H new ATOM 0 HG12 VAL A 46 0.438 -1.468 2.415 1.00 0.00 H new ATOM 0 HG13 VAL A 46 1.821 -2.522 2.038 1.00 0.00 H new ATOM 0 HG21 VAL A 46 0.546 -3.741 -0.514 1.00 0.00 H new ATOM 0 HG22 VAL A 46 1.359 -4.730 0.723 1.00 0.00 H new ATOM 0 HG23 VAL A 46 -0.321 -5.090 0.258 1.00 0.00 H new ATOM 731 N VAL A 47 0.523 -2.790 4.680 1.00 0.00 N ATOM 732 CA VAL A 47 0.429 -1.901 5.826 1.00 0.00 C ATOM 733 C VAL A 47 1.438 -0.763 5.667 1.00 0.00 C ATOM 734 O VAL A 47 2.530 -0.966 5.138 1.00 0.00 O ATOM 735 CB VAL A 47 0.622 -2.694 7.121 1.00 0.00 C ATOM 736 CG1 VAL A 47 -0.645 -3.473 7.480 1.00 0.00 C ATOM 737 CG2 VAL A 47 1.829 -3.628 7.017 1.00 0.00 C ATOM 0 H VAL A 47 1.469 -3.096 4.454 1.00 0.00 H new ATOM 0 HA VAL A 47 -0.563 -1.452 5.880 1.00 0.00 H new ATOM 0 HB VAL A 47 0.817 -1.983 7.924 1.00 0.00 H new ATOM 0 HG11 VAL A 47 -0.481 -4.028 8.404 1.00 0.00 H new ATOM 0 HG12 VAL A 47 -1.473 -2.778 7.616 1.00 0.00 H new ATOM 0 HG13 VAL A 47 -0.884 -4.169 6.676 1.00 0.00 H new ATOM 0 HG21 VAL A 47 1.944 -4.180 7.950 1.00 0.00 H new ATOM 0 HG22 VAL A 47 1.676 -4.330 6.197 1.00 0.00 H new ATOM 0 HG23 VAL A 47 2.728 -3.041 6.830 1.00 0.00 H new ATOM 747 N GLY A 48 1.037 0.411 6.133 1.00 0.00 N ATOM 748 CA GLY A 48 1.893 1.582 6.048 1.00 0.00 C ATOM 749 C GLY A 48 1.367 2.571 5.006 1.00 0.00 C ATOM 750 O GLY A 48 1.643 3.767 5.086 1.00 0.00 O ATOM 0 H GLY A 48 0.131 0.576 6.571 1.00 0.00 H new ATOM 0 HA2 GLY A 48 1.947 2.069 7.022 1.00 0.00 H new ATOM 0 HA3 GLY A 48 2.907 1.278 5.787 1.00 0.00 H new ATOM 754 N LEU A 49 0.620 2.035 4.052 1.00 0.00 N ATOM 755 CA LEU A 49 0.053 2.856 2.996 1.00 0.00 C ATOM 756 C LEU A 49 -0.513 4.142 3.602 1.00 0.00 C ATOM 757 O LEU A 49 -0.892 4.166 4.772 1.00 0.00 O ATOM 758 CB LEU A 49 -0.969 2.056 2.186 1.00 0.00 C ATOM 759 CG LEU A 49 -0.395 1.078 1.159 1.00 0.00 C ATOM 760 CD1 LEU A 49 -1.467 0.100 0.675 1.00 0.00 C ATOM 761 CD2 LEU A 49 0.265 1.826 -0.001 1.00 0.00 C ATOM 0 H LEU A 49 0.394 1.042 3.988 1.00 0.00 H new ATOM 0 HA LEU A 49 0.826 3.152 2.287 1.00 0.00 H new ATOM 0 HB2 LEU A 49 -1.595 1.496 2.881 1.00 0.00 H new ATOM 0 HB3 LEU A 49 -1.620 2.758 1.665 1.00 0.00 H new ATOM 0 HG LEU A 49 0.382 0.489 1.645 1.00 0.00 H new ATOM 0 HD11 LEU A 49 -1.033 -0.584 -0.054 1.00 0.00 H new ATOM 0 HD12 LEU A 49 -1.850 -0.468 1.522 1.00 0.00 H new ATOM 0 HD13 LEU A 49 -2.283 0.655 0.211 1.00 0.00 H new ATOM 0 HD21 LEU A 49 0.665 1.108 -0.717 1.00 0.00 H new ATOM 0 HD22 LEU A 49 -0.474 2.457 -0.495 1.00 0.00 H new ATOM 0 HD23 LEU A 49 1.075 2.447 0.381 1.00 0.00 H new ATOM 773 N PRO A 50 -0.552 5.207 2.758 1.00 0.00 N ATOM 774 CA PRO A 50 -1.064 6.493 3.198 1.00 0.00 C ATOM 775 C PRO A 50 -2.591 6.470 3.296 1.00 0.00 C ATOM 776 O PRO A 50 -3.226 5.483 2.928 1.00 0.00 O ATOM 777 CB PRO A 50 -0.549 7.493 2.176 1.00 0.00 C ATOM 778 CG PRO A 50 -0.161 6.677 0.954 1.00 0.00 C ATOM 779 CD PRO A 50 -0.110 5.215 1.366 1.00 0.00 C ATOM 0 HA PRO A 50 -0.727 6.760 4.200 1.00 0.00 H new ATOM 0 HB2 PRO A 50 -1.315 8.228 1.928 1.00 0.00 H new ATOM 0 HB3 PRO A 50 0.307 8.044 2.566 1.00 0.00 H new ATOM 0 HG2 PRO A 50 -0.885 6.823 0.152 1.00 0.00 H new ATOM 0 HG3 PRO A 50 0.807 7.000 0.571 1.00 0.00 H new ATOM 0 HD2 PRO A 50 -0.761 4.604 0.740 1.00 0.00 H new ATOM 0 HD3 PRO A 50 0.898 4.811 1.268 1.00 0.00 H new ATOM 787 N GLU A 51 -3.137 7.570 3.793 1.00 0.00 N ATOM 788 CA GLU A 51 -4.577 7.689 3.943 1.00 0.00 C ATOM 789 C GLU A 51 -5.241 7.867 2.576 1.00 0.00 C ATOM 790 O GLU A 51 -4.712 8.564 1.711 1.00 0.00 O ATOM 791 CB GLU A 51 -4.937 8.842 4.882 1.00 0.00 C ATOM 792 CG GLU A 51 -6.097 8.458 5.803 1.00 0.00 C ATOM 793 CD GLU A 51 -6.419 9.589 6.782 1.00 0.00 C ATOM 794 OE1 GLU A 51 -5.451 10.140 7.350 1.00 0.00 O ATOM 795 OE2 GLU A 51 -7.624 9.878 6.939 1.00 0.00 O ATOM 0 H GLU A 51 -2.608 8.387 4.097 1.00 0.00 H new ATOM 0 HA GLU A 51 -4.953 6.769 4.390 1.00 0.00 H new ATOM 0 HB2 GLU A 51 -4.067 9.113 5.481 1.00 0.00 H new ATOM 0 HB3 GLU A 51 -5.208 9.721 4.297 1.00 0.00 H new ATOM 0 HG2 GLU A 51 -6.979 8.227 5.206 1.00 0.00 H new ATOM 0 HG3 GLU A 51 -5.842 7.555 6.357 1.00 0.00 H new ATOM 802 N GLY A 52 -6.390 7.226 2.423 1.00 0.00 N ATOM 803 CA GLY A 52 -7.131 7.305 1.176 1.00 0.00 C ATOM 804 C GLY A 52 -6.394 6.573 0.053 1.00 0.00 C ATOM 805 O GLY A 52 -6.511 6.941 -1.115 1.00 0.00 O ATOM 0 H GLY A 52 -6.826 6.649 3.142 1.00 0.00 H new ATOM 0 HA2 GLY A 52 -8.122 6.870 1.309 1.00 0.00 H new ATOM 0 HA3 GLY A 52 -7.276 8.350 0.900 1.00 0.00 H new ATOM 809 N ILE A 53 -5.650 5.549 0.445 1.00 0.00 N ATOM 810 CA ILE A 53 -4.894 4.762 -0.514 1.00 0.00 C ATOM 811 C ILE A 53 -4.815 3.313 -0.029 1.00 0.00 C ATOM 812 O ILE A 53 -4.614 3.062 1.158 1.00 0.00 O ATOM 813 CB ILE A 53 -3.527 5.400 -0.771 1.00 0.00 C ATOM 814 CG1 ILE A 53 -3.672 6.877 -1.141 1.00 0.00 C ATOM 815 CG2 ILE A 53 -2.747 4.617 -1.829 1.00 0.00 C ATOM 816 CD1 ILE A 53 -2.340 7.455 -1.623 1.00 0.00 C ATOM 0 H ILE A 53 -5.555 5.246 1.414 1.00 0.00 H new ATOM 0 HA ILE A 53 -5.400 4.748 -1.479 1.00 0.00 H new ATOM 0 HB ILE A 53 -2.950 5.355 0.153 1.00 0.00 H new ATOM 0 HG12 ILE A 53 -4.424 6.988 -1.922 1.00 0.00 H new ATOM 0 HG13 ILE A 53 -4.025 7.439 -0.276 1.00 0.00 H new ATOM 0 HG21 ILE A 53 -1.779 5.091 -1.993 1.00 0.00 H new ATOM 0 HG22 ILE A 53 -2.596 3.593 -1.486 1.00 0.00 H new ATOM 0 HG23 ILE A 53 -3.309 4.608 -2.763 1.00 0.00 H new ATOM 0 HD11 ILE A 53 -2.471 8.506 -1.880 1.00 0.00 H new ATOM 0 HD12 ILE A 53 -1.596 7.365 -0.831 1.00 0.00 H new ATOM 0 HD13 ILE A 53 -2.002 6.906 -2.502 1.00 0.00 H new ATOM 828 N SER A 54 -4.978 2.397 -0.972 1.00 0.00 N ATOM 829 CA SER A 54 -4.928 0.980 -0.656 1.00 0.00 C ATOM 830 C SER A 54 -3.901 0.281 -1.549 1.00 0.00 C ATOM 831 O SER A 54 -2.923 0.894 -1.974 1.00 0.00 O ATOM 832 CB SER A 54 -6.304 0.330 -0.821 1.00 0.00 C ATOM 833 OG SER A 54 -6.557 -0.645 0.187 1.00 0.00 O ATOM 0 H SER A 54 -5.145 2.609 -1.956 1.00 0.00 H new ATOM 0 HA SER A 54 -4.628 0.872 0.386 1.00 0.00 H new ATOM 0 HB2 SER A 54 -7.075 1.099 -0.783 1.00 0.00 H new ATOM 0 HB3 SER A 54 -6.369 -0.138 -1.803 1.00 0.00 H new ATOM 0 HG SER A 54 -7.445 -1.036 0.049 1.00 0.00 H new ATOM 839 N LEU A 55 -4.158 -0.994 -1.806 1.00 0.00 N ATOM 840 CA LEU A 55 -3.267 -1.783 -2.640 1.00 0.00 C ATOM 841 C LEU A 55 -3.921 -2.010 -4.004 1.00 0.00 C ATOM 842 O LEU A 55 -4.822 -2.837 -4.135 1.00 0.00 O ATOM 843 CB LEU A 55 -2.870 -3.076 -1.926 1.00 0.00 C ATOM 844 CG LEU A 55 -1.894 -3.984 -2.676 1.00 0.00 C ATOM 845 CD1 LEU A 55 -0.629 -3.220 -3.074 1.00 0.00 C ATOM 846 CD2 LEU A 55 -1.572 -5.237 -1.859 1.00 0.00 C ATOM 0 H LEU A 55 -4.970 -1.499 -1.451 1.00 0.00 H new ATOM 0 HA LEU A 55 -2.336 -1.245 -2.818 1.00 0.00 H new ATOM 0 HB2 LEU A 55 -2.427 -2.815 -0.965 1.00 0.00 H new ATOM 0 HB3 LEU A 55 -3.776 -3.645 -1.716 1.00 0.00 H new ATOM 0 HG LEU A 55 -2.375 -4.314 -3.597 1.00 0.00 H new ATOM 0 HD11 LEU A 55 0.048 -3.889 -3.606 1.00 0.00 H new ATOM 0 HD12 LEU A 55 -0.897 -2.385 -3.721 1.00 0.00 H new ATOM 0 HD13 LEU A 55 -0.136 -2.841 -2.179 1.00 0.00 H new ATOM 0 HD21 LEU A 55 -0.876 -5.865 -2.415 1.00 0.00 H new ATOM 0 HD22 LEU A 55 -1.120 -4.947 -0.910 1.00 0.00 H new ATOM 0 HD23 LEU A 55 -2.490 -5.793 -1.669 1.00 0.00 H new ATOM 858 N ARG A 56 -3.443 -1.260 -4.986 1.00 0.00 N ATOM 859 CA ARG A 56 -3.970 -1.370 -6.336 1.00 0.00 C ATOM 860 C ARG A 56 -2.910 -0.948 -7.356 1.00 0.00 C ATOM 861 O ARG A 56 -1.986 -0.206 -7.025 1.00 0.00 O ATOM 862 CB ARG A 56 -5.214 -0.497 -6.514 1.00 0.00 C ATOM 863 CG ARG A 56 -6.415 -1.099 -5.781 1.00 0.00 C ATOM 864 CD ARG A 56 -7.717 -0.808 -6.530 1.00 0.00 C ATOM 865 NE ARG A 56 -8.719 -1.855 -6.229 1.00 0.00 N ATOM 866 CZ ARG A 56 -9.855 -2.027 -6.917 1.00 0.00 C ATOM 867 NH1 ARG A 56 -10.141 -1.222 -7.950 1.00 0.00 N ATOM 868 NH2 ARG A 56 -10.706 -3.003 -6.572 1.00 0.00 N ATOM 0 H ARG A 56 -2.697 -0.574 -4.874 1.00 0.00 H new ATOM 0 HA ARG A 56 -4.244 -2.412 -6.501 1.00 0.00 H new ATOM 0 HB2 ARG A 56 -5.017 0.505 -6.134 1.00 0.00 H new ATOM 0 HB3 ARG A 56 -5.444 -0.397 -7.575 1.00 0.00 H new ATOM 0 HG2 ARG A 56 -6.282 -2.176 -5.681 1.00 0.00 H new ATOM 0 HG3 ARG A 56 -6.472 -0.690 -4.772 1.00 0.00 H new ATOM 0 HD2 ARG A 56 -8.102 0.170 -6.240 1.00 0.00 H new ATOM 0 HD3 ARG A 56 -7.529 -0.771 -7.603 1.00 0.00 H new ATOM 0 HE ARG A 56 -8.533 -2.485 -5.449 1.00 0.00 H new ATOM 0 HH11 ARG A 56 -9.493 -0.479 -8.212 1.00 0.00 H new ATOM 0 HH12 ARG A 56 -11.006 -1.353 -8.474 1.00 0.00 H new ATOM 0 HH21 ARG A 56 -10.488 -3.615 -5.785 1.00 0.00 H new ATOM 0 HH22 ARG A 56 -11.571 -3.134 -7.096 1.00 0.00 H new ATOM 882 N ARG A 57 -3.078 -1.439 -8.575 1.00 0.00 N ATOM 883 CA ARG A 57 -2.147 -1.123 -9.644 1.00 0.00 C ATOM 884 C ARG A 57 -1.792 0.365 -9.616 1.00 0.00 C ATOM 885 O ARG A 57 -2.649 1.207 -9.354 1.00 0.00 O ATOM 886 CB ARG A 57 -2.740 -1.472 -11.011 1.00 0.00 C ATOM 887 CG ARG A 57 -1.992 -2.645 -11.649 1.00 0.00 C ATOM 888 CD ARG A 57 -2.828 -3.291 -12.756 1.00 0.00 C ATOM 889 NE ARG A 57 -2.033 -3.385 -14.001 1.00 0.00 N ATOM 890 CZ ARG A 57 -2.545 -3.708 -15.196 1.00 0.00 C ATOM 891 NH1 ARG A 57 -3.854 -3.970 -15.316 1.00 0.00 N ATOM 892 NH2 ARG A 57 -1.748 -3.769 -16.272 1.00 0.00 N ATOM 0 H ARG A 57 -3.846 -2.054 -8.846 1.00 0.00 H new ATOM 0 HA ARG A 57 -1.247 -1.718 -9.487 1.00 0.00 H new ATOM 0 HB2 ARG A 57 -3.794 -1.725 -10.900 1.00 0.00 H new ATOM 0 HB3 ARG A 57 -2.688 -0.603 -11.667 1.00 0.00 H new ATOM 0 HG2 ARG A 57 -1.045 -2.296 -12.060 1.00 0.00 H new ATOM 0 HG3 ARG A 57 -1.755 -3.387 -10.887 1.00 0.00 H new ATOM 0 HD2 ARG A 57 -3.152 -4.284 -12.446 1.00 0.00 H new ATOM 0 HD3 ARG A 57 -3.728 -2.703 -12.933 1.00 0.00 H new ATOM 0 HE ARG A 57 -1.033 -3.192 -13.946 1.00 0.00 H new ATOM 0 HH11 ARG A 57 -4.461 -3.923 -14.497 1.00 0.00 H new ATOM 0 HH12 ARG A 57 -4.244 -4.216 -16.226 1.00 0.00 H new ATOM 0 HH21 ARG A 57 -0.752 -3.570 -16.181 1.00 0.00 H new ATOM 0 HH22 ARG A 57 -2.138 -4.015 -17.182 1.00 0.00 H new ATOM 906 N PRO A 58 -0.492 0.651 -9.895 1.00 0.00 N ATOM 907 CA PRO A 58 -0.012 2.023 -9.904 1.00 0.00 C ATOM 908 C PRO A 58 -0.480 2.759 -11.160 1.00 0.00 C ATOM 909 O PRO A 58 0.332 3.316 -11.897 1.00 0.00 O ATOM 910 CB PRO A 58 1.501 1.911 -9.810 1.00 0.00 C ATOM 911 CG PRO A 58 1.840 0.487 -10.219 1.00 0.00 C ATOM 912 CD PRO A 58 0.552 -0.320 -10.209 1.00 0.00 C ATOM 0 HA PRO A 58 -0.407 2.612 -9.076 1.00 0.00 H new ATOM 0 HB2 PRO A 58 1.987 2.632 -10.467 1.00 0.00 H new ATOM 0 HB3 PRO A 58 1.846 2.119 -8.797 1.00 0.00 H new ATOM 0 HG2 PRO A 58 2.292 0.472 -11.211 1.00 0.00 H new ATOM 0 HG3 PRO A 58 2.567 0.055 -9.531 1.00 0.00 H new ATOM 0 HD2 PRO A 58 0.374 -0.794 -11.174 1.00 0.00 H new ATOM 0 HD3 PRO A 58 0.589 -1.116 -9.465 1.00 0.00 H new ATOM 920 N ASN A 59 -1.789 2.738 -11.367 1.00 0.00 N ATOM 921 CA ASN A 59 -2.375 3.397 -12.521 1.00 0.00 C ATOM 922 C ASN A 59 -3.661 4.110 -12.098 1.00 0.00 C ATOM 923 O ASN A 59 -3.883 5.265 -12.461 1.00 0.00 O ATOM 924 CB ASN A 59 -2.733 2.385 -13.611 1.00 0.00 C ATOM 925 CG ASN A 59 -1.671 2.366 -14.712 1.00 0.00 C ATOM 926 OD1 ASN A 59 -0.744 1.573 -14.703 1.00 0.00 O ATOM 927 ND2 ASN A 59 -1.858 3.281 -15.659 1.00 0.00 N ATOM 0 H ASN A 59 -2.460 2.275 -10.754 1.00 0.00 H new ATOM 0 HA ASN A 59 -1.644 4.105 -12.912 1.00 0.00 H new ATOM 0 HB2 ASN A 59 -2.826 1.391 -13.173 1.00 0.00 H new ATOM 0 HB3 ASN A 59 -3.703 2.636 -14.041 1.00 0.00 H new ATOM 0 HD21 ASN A 59 -1.204 3.349 -16.439 1.00 0.00 H new ATOM 0 HD22 ASN A 59 -2.656 3.915 -15.606 1.00 0.00 H new ATOM 934 N CYS A 60 -4.474 3.393 -11.337 1.00 0.00 N ATOM 935 CA CYS A 60 -5.732 3.943 -10.860 1.00 0.00 C ATOM 936 C CYS A 60 -5.449 4.774 -9.607 1.00 0.00 C ATOM 937 O CYS A 60 -6.078 4.574 -8.569 1.00 0.00 O ATOM 938 CB CYS A 60 -6.765 2.846 -10.596 1.00 0.00 C ATOM 939 SG CYS A 60 -8.430 3.422 -11.090 1.00 0.00 S ATOM 0 H CYS A 60 -4.287 2.436 -11.039 1.00 0.00 H new ATOM 0 HA CYS A 60 -6.167 4.583 -11.628 1.00 0.00 H new ATOM 0 HB2 CYS A 60 -6.502 1.946 -11.153 1.00 0.00 H new ATOM 0 HB3 CYS A 60 -6.762 2.579 -9.539 1.00 0.00 H new ATOM 0 HG CYS A 60 -9.299 2.482 -10.864 1.00 0.00 H new ATOM 945 N PHE A 61 -4.502 5.690 -9.745 1.00 0.00 N ATOM 946 CA PHE A 61 -4.127 6.553 -8.637 1.00 0.00 C ATOM 947 C PHE A 61 -3.759 7.953 -9.132 1.00 0.00 C ATOM 948 O PHE A 61 -3.357 8.123 -10.282 1.00 0.00 O ATOM 949 CB PHE A 61 -2.903 5.921 -7.972 1.00 0.00 C ATOM 950 CG PHE A 61 -3.228 4.719 -7.084 1.00 0.00 C ATOM 951 CD1 PHE A 61 -3.257 3.468 -7.616 1.00 0.00 C ATOM 952 CD2 PHE A 61 -3.487 4.901 -5.761 1.00 0.00 C ATOM 953 CE1 PHE A 61 -3.559 2.352 -6.792 1.00 0.00 C ATOM 954 CE2 PHE A 61 -3.789 3.785 -4.936 1.00 0.00 C ATOM 955 CZ PHE A 61 -3.818 2.534 -5.469 1.00 0.00 C ATOM 0 H PHE A 61 -3.983 5.854 -10.608 1.00 0.00 H new ATOM 0 HA PHE A 61 -4.962 6.651 -7.943 1.00 0.00 H new ATOM 0 HB2 PHE A 61 -2.202 5.609 -8.746 1.00 0.00 H new ATOM 0 HB3 PHE A 61 -2.398 6.677 -7.371 1.00 0.00 H new ATOM 0 HD1 PHE A 61 -3.050 3.323 -8.666 1.00 0.00 H new ATOM 0 HD2 PHE A 61 -3.463 5.894 -5.338 1.00 0.00 H new ATOM 0 HE1 PHE A 61 -3.583 1.359 -7.215 1.00 0.00 H new ATOM 0 HE2 PHE A 61 -3.996 3.930 -3.886 1.00 0.00 H new ATOM 0 HZ PHE A 61 -4.047 1.685 -4.842 1.00 0.00 H new ATOM 965 N GLY A 62 -3.909 8.920 -8.239 1.00 0.00 N ATOM 966 CA GLY A 62 -3.597 10.300 -8.570 1.00 0.00 C ATOM 967 C GLY A 62 -2.138 10.625 -8.247 1.00 0.00 C ATOM 968 O GLY A 62 -1.559 10.049 -7.327 1.00 0.00 O ATOM 0 H GLY A 62 -4.243 8.775 -7.286 1.00 0.00 H new ATOM 0 HA2 GLY A 62 -3.786 10.475 -9.629 1.00 0.00 H new ATOM 0 HA3 GLY A 62 -4.254 10.969 -8.014 1.00 0.00 H new ATOM 972 N ILE A 63 -1.584 11.547 -9.021 1.00 0.00 N ATOM 973 CA ILE A 63 -0.203 11.956 -8.828 1.00 0.00 C ATOM 974 C ILE A 63 0.081 12.086 -7.331 1.00 0.00 C ATOM 975 O ILE A 63 1.042 11.508 -6.825 1.00 0.00 O ATOM 976 CB ILE A 63 0.095 13.228 -9.624 1.00 0.00 C ATOM 977 CG1 ILE A 63 0.376 12.903 -11.092 1.00 0.00 C ATOM 978 CG2 ILE A 63 1.236 14.020 -8.983 1.00 0.00 C ATOM 979 CD1 ILE A 63 -0.768 13.380 -11.989 1.00 0.00 C ATOM 0 H ILE A 63 -2.067 12.023 -9.783 1.00 0.00 H new ATOM 0 HA ILE A 63 0.477 11.198 -9.217 1.00 0.00 H new ATOM 0 HB ILE A 63 -0.791 13.862 -9.599 1.00 0.00 H new ATOM 0 HG12 ILE A 63 1.307 13.378 -11.401 1.00 0.00 H new ATOM 0 HG13 ILE A 63 0.512 11.828 -11.210 1.00 0.00 H new ATOM 0 HG21 ILE A 63 1.428 14.919 -9.568 1.00 0.00 H new ATOM 0 HG22 ILE A 63 0.958 14.300 -7.967 1.00 0.00 H new ATOM 0 HG23 ILE A 63 2.136 13.405 -8.957 1.00 0.00 H new ATOM 0 HD11 ILE A 63 -0.542 13.136 -13.027 1.00 0.00 H new ATOM 0 HD12 ILE A 63 -1.693 12.885 -11.693 1.00 0.00 H new ATOM 0 HD13 ILE A 63 -0.885 14.459 -11.887 1.00 0.00 H new ATOM 991 N ALA A 64 -0.772 12.850 -6.663 1.00 0.00 N ATOM 992 CA ALA A 64 -0.624 13.063 -5.234 1.00 0.00 C ATOM 993 C ALA A 64 -0.583 11.710 -4.521 1.00 0.00 C ATOM 994 O ALA A 64 0.229 11.502 -3.621 1.00 0.00 O ATOM 995 CB ALA A 64 -1.762 13.953 -4.730 1.00 0.00 C ATOM 0 H ALA A 64 -1.567 13.329 -7.086 1.00 0.00 H new ATOM 0 HA ALA A 64 0.313 13.577 -5.018 1.00 0.00 H new ATOM 0 HB1 ALA A 64 -1.651 14.113 -3.658 1.00 0.00 H new ATOM 0 HB2 ALA A 64 -1.729 14.913 -5.245 1.00 0.00 H new ATOM 0 HB3 ALA A 64 -2.718 13.468 -4.928 1.00 0.00 H new ATOM 1001 N LYS A 65 -1.469 10.824 -4.952 1.00 0.00 N ATOM 1002 CA LYS A 65 -1.544 9.496 -4.367 1.00 0.00 C ATOM 1003 C LYS A 65 -0.206 8.780 -4.564 1.00 0.00 C ATOM 1004 O LYS A 65 0.477 8.453 -3.595 1.00 0.00 O ATOM 1005 CB LYS A 65 -2.741 8.729 -4.931 1.00 0.00 C ATOM 1006 CG LYS A 65 -4.059 9.393 -4.525 1.00 0.00 C ATOM 1007 CD LYS A 65 -5.238 8.438 -4.720 1.00 0.00 C ATOM 1008 CE LYS A 65 -6.411 8.822 -3.816 1.00 0.00 C ATOM 1009 NZ LYS A 65 -7.631 9.055 -4.621 1.00 0.00 N ATOM 0 H LYS A 65 -2.141 11.000 -5.699 1.00 0.00 H new ATOM 0 HA LYS A 65 -1.715 9.562 -3.293 1.00 0.00 H new ATOM 0 HB2 LYS A 65 -2.671 8.687 -6.018 1.00 0.00 H new ATOM 0 HB3 LYS A 65 -2.721 7.701 -4.570 1.00 0.00 H new ATOM 0 HG2 LYS A 65 -4.007 9.704 -3.482 1.00 0.00 H new ATOM 0 HG3 LYS A 65 -4.214 10.294 -5.119 1.00 0.00 H new ATOM 0 HD2 LYS A 65 -5.557 8.456 -5.762 1.00 0.00 H new ATOM 0 HD3 LYS A 65 -4.924 7.418 -4.500 1.00 0.00 H new ATOM 0 HE2 LYS A 65 -6.593 8.030 -3.090 1.00 0.00 H new ATOM 0 HE3 LYS A 65 -6.164 9.721 -3.251 1.00 0.00 H new ATOM 0 HZ1 LYS A 65 -8.418 9.315 -3.992 1.00 0.00 H new ATOM 0 HZ2 LYS A 65 -7.459 9.827 -5.297 1.00 0.00 H new ATOM 0 HZ3 LYS A 65 -7.875 8.188 -5.141 1.00 0.00 H new ATOM 1023 N LEU A 66 0.128 8.556 -5.827 1.00 0.00 N ATOM 1024 CA LEU A 66 1.371 7.884 -6.164 1.00 0.00 C ATOM 1025 C LEU A 66 2.484 8.389 -5.244 1.00 0.00 C ATOM 1026 O LEU A 66 3.191 7.595 -4.624 1.00 0.00 O ATOM 1027 CB LEU A 66 1.682 8.049 -7.653 1.00 0.00 C ATOM 1028 CG LEU A 66 0.692 7.397 -8.621 1.00 0.00 C ATOM 1029 CD1 LEU A 66 0.950 7.854 -10.058 1.00 0.00 C ATOM 1030 CD2 LEU A 66 0.720 5.873 -8.490 1.00 0.00 C ATOM 0 H LEU A 66 -0.441 8.828 -6.629 1.00 0.00 H new ATOM 0 HA LEU A 66 1.281 6.811 -5.997 1.00 0.00 H new ATOM 0 HB2 LEU A 66 1.731 9.114 -7.878 1.00 0.00 H new ATOM 0 HB3 LEU A 66 2.673 7.637 -7.845 1.00 0.00 H new ATOM 0 HG LEU A 66 -0.313 7.724 -8.354 1.00 0.00 H new ATOM 0 HD11 LEU A 66 0.233 7.376 -10.726 1.00 0.00 H new ATOM 0 HD12 LEU A 66 0.839 8.937 -10.121 1.00 0.00 H new ATOM 0 HD13 LEU A 66 1.962 7.575 -10.352 1.00 0.00 H new ATOM 0 HD21 LEU A 66 0.007 5.435 -9.189 1.00 0.00 H new ATOM 0 HD22 LEU A 66 1.722 5.507 -8.715 1.00 0.00 H new ATOM 0 HD23 LEU A 66 0.451 5.590 -7.472 1.00 0.00 H new ATOM 1042 N ARG A 67 2.606 9.707 -5.183 1.00 0.00 N ATOM 1043 CA ARG A 67 3.622 10.327 -4.349 1.00 0.00 C ATOM 1044 C ARG A 67 3.506 9.823 -2.909 1.00 0.00 C ATOM 1045 O ARG A 67 4.447 9.236 -2.376 1.00 0.00 O ATOM 1046 CB ARG A 67 3.488 11.851 -4.360 1.00 0.00 C ATOM 1047 CG ARG A 67 4.024 12.439 -5.667 1.00 0.00 C ATOM 1048 CD ARG A 67 4.280 13.941 -5.529 1.00 0.00 C ATOM 1049 NE ARG A 67 5.718 14.230 -5.729 1.00 0.00 N ATOM 1050 CZ ARG A 67 6.203 15.434 -6.060 1.00 0.00 C ATOM 1051 NH1 ARG A 67 5.369 16.469 -6.231 1.00 0.00 N ATOM 1052 NH2 ARG A 67 7.522 15.604 -6.221 1.00 0.00 N ATOM 0 H ARG A 67 2.018 10.363 -5.698 1.00 0.00 H new ATOM 0 HA ARG A 67 4.596 10.056 -4.756 1.00 0.00 H new ATOM 0 HB2 ARG A 67 2.441 12.129 -4.234 1.00 0.00 H new ATOM 0 HB3 ARG A 67 4.033 12.274 -3.516 1.00 0.00 H new ATOM 0 HG2 ARG A 67 4.949 11.933 -5.945 1.00 0.00 H new ATOM 0 HG3 ARG A 67 3.309 12.261 -6.470 1.00 0.00 H new ATOM 0 HD2 ARG A 67 3.685 14.488 -6.261 1.00 0.00 H new ATOM 0 HD3 ARG A 67 3.966 14.283 -4.543 1.00 0.00 H new ATOM 0 HE ARG A 67 6.381 13.464 -5.607 1.00 0.00 H new ATOM 0 HH11 ARG A 67 4.365 16.340 -6.109 1.00 0.00 H new ATOM 0 HH12 ARG A 67 5.739 17.386 -6.483 1.00 0.00 H new ATOM 0 HH21 ARG A 67 8.157 14.817 -6.092 1.00 0.00 H new ATOM 0 HH22 ARG A 67 7.891 16.521 -6.473 1.00 0.00 H new ATOM 1066 N LYS A 68 2.346 10.070 -2.320 1.00 0.00 N ATOM 1067 CA LYS A 68 2.095 9.648 -0.953 1.00 0.00 C ATOM 1068 C LYS A 68 2.712 8.266 -0.729 1.00 0.00 C ATOM 1069 O LYS A 68 3.558 8.094 0.148 1.00 0.00 O ATOM 1070 CB LYS A 68 0.600 9.712 -0.637 1.00 0.00 C ATOM 1071 CG LYS A 68 0.282 10.898 0.276 1.00 0.00 C ATOM 1072 CD LYS A 68 -0.424 12.013 -0.499 1.00 0.00 C ATOM 1073 CE LYS A 68 -1.810 12.292 0.084 1.00 0.00 C ATOM 1074 NZ LYS A 68 -2.849 11.564 -0.678 1.00 0.00 N ATOM 0 H LYS A 68 1.568 10.558 -2.765 1.00 0.00 H new ATOM 0 HA LYS A 68 2.574 10.330 -0.251 1.00 0.00 H new ATOM 0 HB2 LYS A 68 0.032 9.799 -1.563 1.00 0.00 H new ATOM 0 HB3 LYS A 68 0.286 8.785 -0.157 1.00 0.00 H new ATOM 0 HG2 LYS A 68 -0.349 10.568 1.101 1.00 0.00 H new ATOM 0 HG3 LYS A 68 1.203 11.282 0.714 1.00 0.00 H new ATOM 0 HD2 LYS A 68 0.178 12.921 -0.466 1.00 0.00 H new ATOM 0 HD3 LYS A 68 -0.517 11.730 -1.547 1.00 0.00 H new ATOM 0 HE2 LYS A 68 -1.839 11.989 1.131 1.00 0.00 H new ATOM 0 HE3 LYS A 68 -2.014 13.362 0.057 1.00 0.00 H new ATOM 0 HZ1 LYS A 68 -3.784 11.765 -0.269 1.00 0.00 H new ATOM 0 HZ2 LYS A 68 -2.832 11.873 -1.671 1.00 0.00 H new ATOM 0 HZ3 LYS A 68 -2.662 10.542 -0.630 1.00 0.00 H new ATOM 1088 N ILE A 69 2.265 7.316 -1.537 1.00 0.00 N ATOM 1089 CA ILE A 69 2.763 5.954 -1.439 1.00 0.00 C ATOM 1090 C ILE A 69 4.293 5.976 -1.405 1.00 0.00 C ATOM 1091 O ILE A 69 4.902 5.523 -0.437 1.00 0.00 O ATOM 1092 CB ILE A 69 2.185 5.090 -2.561 1.00 0.00 C ATOM 1093 CG1 ILE A 69 0.662 4.991 -2.449 1.00 0.00 C ATOM 1094 CG2 ILE A 69 2.848 3.711 -2.588 1.00 0.00 C ATOM 1095 CD1 ILE A 69 0.053 4.429 -3.734 1.00 0.00 C ATOM 0 H ILE A 69 1.563 7.462 -2.263 1.00 0.00 H new ATOM 0 HA ILE A 69 2.430 5.493 -0.509 1.00 0.00 H new ATOM 0 HB ILE A 69 2.407 5.573 -3.512 1.00 0.00 H new ATOM 0 HG12 ILE A 69 0.397 4.352 -1.607 1.00 0.00 H new ATOM 0 HG13 ILE A 69 0.244 5.977 -2.245 1.00 0.00 H new ATOM 0 HG21 ILE A 69 2.419 3.117 -3.395 1.00 0.00 H new ATOM 0 HG22 ILE A 69 3.919 3.826 -2.752 1.00 0.00 H new ATOM 0 HG23 ILE A 69 2.678 3.207 -1.636 1.00 0.00 H new ATOM 0 HD11 ILE A 69 -1.030 4.369 -3.627 1.00 0.00 H new ATOM 0 HD12 ILE A 69 0.300 5.083 -4.570 1.00 0.00 H new ATOM 0 HD13 ILE A 69 0.455 3.433 -3.922 1.00 0.00 H new ATOM 1107 N LEU A 70 4.869 6.507 -2.473 1.00 0.00 N ATOM 1108 CA LEU A 70 6.316 6.594 -2.577 1.00 0.00 C ATOM 1109 C LEU A 70 6.874 7.261 -1.319 1.00 0.00 C ATOM 1110 O LEU A 70 7.939 6.883 -0.832 1.00 0.00 O ATOM 1111 CB LEU A 70 6.718 7.296 -3.876 1.00 0.00 C ATOM 1112 CG LEU A 70 6.430 6.531 -5.169 1.00 0.00 C ATOM 1113 CD1 LEU A 70 6.625 7.429 -6.392 1.00 0.00 C ATOM 1114 CD2 LEU A 70 7.275 5.258 -5.252 1.00 0.00 C ATOM 0 H LEU A 70 4.360 6.881 -3.274 1.00 0.00 H new ATOM 0 HA LEU A 70 6.755 5.598 -2.631 1.00 0.00 H new ATOM 0 HB2 LEU A 70 6.202 8.255 -3.922 1.00 0.00 H new ATOM 0 HB3 LEU A 70 7.786 7.510 -3.834 1.00 0.00 H new ATOM 0 HG LEU A 70 5.384 6.224 -5.159 1.00 0.00 H new ATOM 0 HD11 LEU A 70 6.414 6.861 -7.298 1.00 0.00 H new ATOM 0 HD12 LEU A 70 5.946 8.280 -6.331 1.00 0.00 H new ATOM 0 HD13 LEU A 70 7.654 7.787 -6.420 1.00 0.00 H new ATOM 0 HD21 LEU A 70 7.051 4.733 -6.180 1.00 0.00 H new ATOM 0 HD22 LEU A 70 8.333 5.521 -5.230 1.00 0.00 H new ATOM 0 HD23 LEU A 70 7.044 4.612 -4.405 1.00 0.00 H new ATOM 1126 N GLU A 71 6.131 8.242 -0.828 1.00 0.00 N ATOM 1127 CA GLU A 71 6.539 8.965 0.364 1.00 0.00 C ATOM 1128 C GLU A 71 6.450 8.057 1.593 1.00 0.00 C ATOM 1129 O GLU A 71 7.204 8.225 2.550 1.00 0.00 O ATOM 1130 CB GLU A 71 5.697 10.228 0.554 1.00 0.00 C ATOM 1131 CG GLU A 71 5.790 11.138 -0.672 1.00 0.00 C ATOM 1132 CD GLU A 71 6.023 12.593 -0.259 1.00 0.00 C ATOM 1133 OE1 GLU A 71 5.311 13.041 0.665 1.00 0.00 O ATOM 1134 OE2 GLU A 71 6.907 13.224 -0.878 1.00 0.00 O ATOM 0 H GLU A 71 5.249 8.553 -1.234 1.00 0.00 H new ATOM 0 HA GLU A 71 7.577 9.275 0.240 1.00 0.00 H new ATOM 0 HB2 GLU A 71 4.657 9.953 0.729 1.00 0.00 H new ATOM 0 HB3 GLU A 71 6.038 10.767 1.438 1.00 0.00 H new ATOM 0 HG2 GLU A 71 6.604 10.804 -1.316 1.00 0.00 H new ATOM 0 HG3 GLU A 71 4.872 11.064 -1.255 1.00 0.00 H new ATOM 1141 N ALA A 72 5.521 7.114 1.525 1.00 0.00 N ATOM 1142 CA ALA A 72 5.324 6.179 2.620 1.00 0.00 C ATOM 1143 C ALA A 72 6.022 4.858 2.289 1.00 0.00 C ATOM 1144 O ALA A 72 5.791 3.848 2.951 1.00 0.00 O ATOM 1145 CB ALA A 72 3.826 5.999 2.874 1.00 0.00 C ATOM 0 H ALA A 72 4.897 6.978 0.730 1.00 0.00 H new ATOM 0 HA ALA A 72 5.767 6.565 3.538 1.00 0.00 H new ATOM 0 HB1 ALA A 72 3.678 5.298 3.695 1.00 0.00 H new ATOM 0 HB2 ALA A 72 3.383 6.960 3.133 1.00 0.00 H new ATOM 0 HB3 ALA A 72 3.349 5.610 1.974 1.00 0.00 H new ATOM 1151 N SER A 73 6.861 4.910 1.265 1.00 0.00 N ATOM 1152 CA SER A 73 7.594 3.730 0.839 1.00 0.00 C ATOM 1153 C SER A 73 8.288 3.083 2.039 1.00 0.00 C ATOM 1154 O SER A 73 8.595 1.892 2.015 1.00 0.00 O ATOM 1155 CB SER A 73 8.618 4.079 -0.243 1.00 0.00 C ATOM 1156 OG SER A 73 9.676 4.887 0.265 1.00 0.00 O ATOM 0 H SER A 73 7.049 5.750 0.718 1.00 0.00 H new ATOM 0 HA SER A 73 6.884 3.021 0.414 1.00 0.00 H new ATOM 0 HB2 SER A 73 9.031 3.161 -0.661 1.00 0.00 H new ATOM 0 HB3 SER A 73 8.120 4.604 -1.058 1.00 0.00 H new ATOM 0 HG SER A 73 9.490 5.829 0.070 1.00 0.00 H new ATOM 1162 N ASN A 74 8.517 3.897 3.059 1.00 0.00 N ATOM 1163 CA ASN A 74 9.170 3.419 4.266 1.00 0.00 C ATOM 1164 C ASN A 74 8.145 2.695 5.142 1.00 0.00 C ATOM 1165 O ASN A 74 8.340 1.535 5.501 1.00 0.00 O ATOM 1166 CB ASN A 74 9.748 4.581 5.076 1.00 0.00 C ATOM 1167 CG ASN A 74 11.166 4.263 5.555 1.00 0.00 C ATOM 1168 OD1 ASN A 74 11.478 3.156 5.963 1.00 0.00 O ATOM 1169 ND2 ASN A 74 12.004 5.292 5.483 1.00 0.00 N ATOM 0 H ASN A 74 8.262 4.884 3.074 1.00 0.00 H new ATOM 0 HA ASN A 74 9.977 2.749 3.971 1.00 0.00 H new ATOM 0 HB2 ASN A 74 9.760 5.484 4.466 1.00 0.00 H new ATOM 0 HB3 ASN A 74 9.108 4.785 5.934 1.00 0.00 H new ATOM 0 HD21 ASN A 74 12.974 5.182 5.779 1.00 0.00 H new ATOM 0 HD22 ASN A 74 11.677 6.192 5.131 1.00 0.00 H new ATOM 1176 N SER A 75 7.076 3.410 5.461 1.00 0.00 N ATOM 1177 CA SER A 75 6.021 2.850 6.288 1.00 0.00 C ATOM 1178 C SER A 75 5.428 1.612 5.613 1.00 0.00 C ATOM 1179 O SER A 75 5.151 0.612 6.274 1.00 0.00 O ATOM 1180 CB SER A 75 4.926 3.884 6.558 1.00 0.00 C ATOM 1181 OG SER A 75 5.154 4.600 7.769 1.00 0.00 O ATOM 0 H SER A 75 6.918 4.372 5.162 1.00 0.00 H new ATOM 0 HA SER A 75 6.454 2.561 7.246 1.00 0.00 H new ATOM 0 HB2 SER A 75 4.877 4.586 5.726 1.00 0.00 H new ATOM 0 HB3 SER A 75 3.959 3.383 6.610 1.00 0.00 H new ATOM 0 HG SER A 75 4.434 5.251 7.904 1.00 0.00 H new ATOM 1187 N ILE A 76 5.250 1.719 4.304 1.00 0.00 N ATOM 1188 CA ILE A 76 4.694 0.621 3.532 1.00 0.00 C ATOM 1189 C ILE A 76 5.373 -0.685 3.950 1.00 0.00 C ATOM 1190 O ILE A 76 6.543 -0.686 4.331 1.00 0.00 O ATOM 1191 CB ILE A 76 4.795 0.915 2.034 1.00 0.00 C ATOM 1192 CG1 ILE A 76 3.764 1.963 1.611 1.00 0.00 C ATOM 1193 CG2 ILE A 76 4.674 -0.371 1.214 1.00 0.00 C ATOM 1194 CD1 ILE A 76 3.679 2.064 0.086 1.00 0.00 C ATOM 0 H ILE A 76 5.481 2.550 3.759 1.00 0.00 H new ATOM 0 HA ILE A 76 3.630 0.508 3.740 1.00 0.00 H new ATOM 0 HB ILE A 76 5.781 1.334 1.833 1.00 0.00 H new ATOM 0 HG12 ILE A 76 2.787 1.701 2.017 1.00 0.00 H new ATOM 0 HG13 ILE A 76 4.034 2.933 2.029 1.00 0.00 H new ATOM 0 HG21 ILE A 76 4.749 -0.134 0.153 1.00 0.00 H new ATOM 0 HG22 ILE A 76 5.476 -1.056 1.491 1.00 0.00 H new ATOM 0 HG23 ILE A 76 3.711 -0.841 1.414 1.00 0.00 H new ATOM 0 HD11 ILE A 76 2.939 2.816 -0.188 1.00 0.00 H new ATOM 0 HD12 ILE A 76 4.652 2.349 -0.315 1.00 0.00 H new ATOM 0 HD13 ILE A 76 3.386 1.099 -0.327 1.00 0.00 H new ATOM 1206 N GLN A 77 4.611 -1.765 3.864 1.00 0.00 N ATOM 1207 CA GLN A 77 5.124 -3.074 4.228 1.00 0.00 C ATOM 1208 C GLN A 77 4.133 -4.166 3.818 1.00 0.00 C ATOM 1209 O GLN A 77 2.962 -4.119 4.193 1.00 0.00 O ATOM 1210 CB GLN A 77 5.430 -3.146 5.725 1.00 0.00 C ATOM 1211 CG GLN A 77 6.414 -4.278 6.030 1.00 0.00 C ATOM 1212 CD GLN A 77 7.093 -4.064 7.385 1.00 0.00 C ATOM 1213 OE1 GLN A 77 6.982 -3.020 8.006 1.00 0.00 O ATOM 1214 NE2 GLN A 77 7.800 -5.109 7.806 1.00 0.00 N ATOM 0 H GLN A 77 3.641 -1.760 3.547 1.00 0.00 H new ATOM 0 HA GLN A 77 6.058 -3.238 3.691 1.00 0.00 H new ATOM 0 HB2 GLN A 77 5.847 -2.197 6.061 1.00 0.00 H new ATOM 0 HB3 GLN A 77 4.506 -3.303 6.282 1.00 0.00 H new ATOM 0 HG2 GLN A 77 5.887 -5.232 6.030 1.00 0.00 H new ATOM 0 HG3 GLN A 77 7.169 -4.330 5.245 1.00 0.00 H new ATOM 0 HE21 GLN A 77 7.851 -5.953 7.236 1.00 0.00 H new ATOM 0 HE22 GLN A 77 8.291 -5.066 8.699 1.00 0.00 H new ATOM 1223 N PHE A 78 4.639 -5.123 3.054 1.00 0.00 N ATOM 1224 CA PHE A 78 3.813 -6.224 2.589 1.00 0.00 C ATOM 1225 C PHE A 78 3.797 -7.365 3.608 1.00 0.00 C ATOM 1226 O PHE A 78 4.730 -8.164 3.665 1.00 0.00 O ATOM 1227 CB PHE A 78 4.433 -6.729 1.285 1.00 0.00 C ATOM 1228 CG PHE A 78 4.015 -5.932 0.047 1.00 0.00 C ATOM 1229 CD1 PHE A 78 4.215 -4.587 0.005 1.00 0.00 C ATOM 1230 CD2 PHE A 78 3.444 -6.568 -1.010 1.00 0.00 C ATOM 1231 CE1 PHE A 78 3.827 -3.848 -1.143 1.00 0.00 C ATOM 1232 CE2 PHE A 78 3.056 -5.829 -2.159 1.00 0.00 C ATOM 1233 CZ PHE A 78 3.256 -4.484 -2.201 1.00 0.00 C ATOM 0 H PHE A 78 5.611 -5.159 2.745 1.00 0.00 H new ATOM 0 HA PHE A 78 2.787 -5.885 2.447 1.00 0.00 H new ATOM 0 HB2 PHE A 78 5.519 -6.698 1.375 1.00 0.00 H new ATOM 0 HB3 PHE A 78 4.155 -7.773 1.143 1.00 0.00 H new ATOM 0 HD1 PHE A 78 4.669 -4.082 0.845 1.00 0.00 H new ATOM 0 HD2 PHE A 78 3.285 -7.636 -0.976 1.00 0.00 H new ATOM 0 HE1 PHE A 78 3.985 -2.780 -1.176 1.00 0.00 H new ATOM 0 HE2 PHE A 78 2.602 -6.334 -2.999 1.00 0.00 H new ATOM 0 HZ PHE A 78 2.961 -3.921 -3.074 1.00 0.00 H new ATOM 1243 N VAL A 79 2.726 -7.406 4.387 1.00 0.00 N ATOM 1244 CA VAL A 79 2.576 -8.436 5.400 1.00 0.00 C ATOM 1245 C VAL A 79 1.947 -9.679 4.768 1.00 0.00 C ATOM 1246 O VAL A 79 0.932 -9.585 4.081 1.00 0.00 O ATOM 1247 CB VAL A 79 1.770 -7.894 6.582 1.00 0.00 C ATOM 1248 CG1 VAL A 79 1.452 -9.005 7.585 1.00 0.00 C ATOM 1249 CG2 VAL A 79 2.504 -6.736 7.262 1.00 0.00 C ATOM 0 H VAL A 79 1.953 -6.742 4.337 1.00 0.00 H new ATOM 0 HA VAL A 79 3.549 -8.729 5.794 1.00 0.00 H new ATOM 0 HB VAL A 79 0.826 -7.511 6.195 1.00 0.00 H new ATOM 0 HG11 VAL A 79 0.879 -8.593 8.415 1.00 0.00 H new ATOM 0 HG12 VAL A 79 0.869 -9.784 7.093 1.00 0.00 H new ATOM 0 HG13 VAL A 79 2.381 -9.431 7.962 1.00 0.00 H new ATOM 0 HG21 VAL A 79 1.909 -6.369 8.099 1.00 0.00 H new ATOM 0 HG22 VAL A 79 3.470 -7.083 7.628 1.00 0.00 H new ATOM 0 HG23 VAL A 79 2.656 -5.930 6.544 1.00 0.00 H new ATOM 1259 N ILE A 80 2.577 -10.817 5.023 1.00 0.00 N ATOM 1260 CA ILE A 80 2.093 -12.077 4.488 1.00 0.00 C ATOM 1261 C ILE A 80 1.534 -12.930 5.629 1.00 0.00 C ATOM 1262 O ILE A 80 2.188 -13.102 6.657 1.00 0.00 O ATOM 1263 CB ILE A 80 3.189 -12.773 3.680 1.00 0.00 C ATOM 1264 CG1 ILE A 80 3.961 -11.768 2.823 1.00 0.00 C ATOM 1265 CG2 ILE A 80 2.612 -13.916 2.843 1.00 0.00 C ATOM 1266 CD1 ILE A 80 3.048 -11.124 1.778 1.00 0.00 C ATOM 0 H ILE A 80 3.419 -10.892 5.594 1.00 0.00 H new ATOM 0 HA ILE A 80 1.275 -11.904 3.788 1.00 0.00 H new ATOM 0 HB ILE A 80 3.900 -13.213 4.379 1.00 0.00 H new ATOM 0 HG12 ILE A 80 4.391 -10.996 3.461 1.00 0.00 H new ATOM 0 HG13 ILE A 80 4.791 -12.270 2.326 1.00 0.00 H new ATOM 0 HG21 ILE A 80 3.413 -14.394 2.278 1.00 0.00 H new ATOM 0 HG22 ILE A 80 2.145 -14.649 3.501 1.00 0.00 H new ATOM 0 HG23 ILE A 80 1.867 -13.521 2.152 1.00 0.00 H new ATOM 0 HD11 ILE A 80 3.621 -10.414 1.182 1.00 0.00 H new ATOM 0 HD12 ILE A 80 2.639 -11.896 1.127 1.00 0.00 H new ATOM 0 HD13 ILE A 80 2.233 -10.602 2.279 1.00 0.00 H new ATOM 1278 N LYS A 81 0.332 -13.442 5.409 1.00 0.00 N ATOM 1279 CA LYS A 81 -0.321 -14.273 6.407 1.00 0.00 C ATOM 1280 C LYS A 81 -0.456 -15.698 5.867 1.00 0.00 C ATOM 1281 O LYS A 81 -0.317 -16.664 6.616 1.00 0.00 O ATOM 1282 CB LYS A 81 -1.651 -13.649 6.836 1.00 0.00 C ATOM 1283 CG LYS A 81 -1.481 -12.163 7.156 1.00 0.00 C ATOM 1284 CD LYS A 81 -1.413 -11.931 8.667 1.00 0.00 C ATOM 1285 CE LYS A 81 -2.760 -11.449 9.209 1.00 0.00 C ATOM 1286 NZ LYS A 81 -3.134 -12.213 10.420 1.00 0.00 N ATOM 0 H LYS A 81 -0.207 -13.298 4.555 1.00 0.00 H new ATOM 0 HA LYS A 81 0.284 -14.330 7.312 1.00 0.00 H new ATOM 0 HB2 LYS A 81 -2.387 -13.772 6.042 1.00 0.00 H new ATOM 0 HB3 LYS A 81 -2.036 -14.172 7.712 1.00 0.00 H new ATOM 0 HG2 LYS A 81 -0.572 -11.788 6.686 1.00 0.00 H new ATOM 0 HG3 LYS A 81 -2.314 -11.599 6.735 1.00 0.00 H new ATOM 0 HD2 LYS A 81 -1.125 -12.855 9.168 1.00 0.00 H new ATOM 0 HD3 LYS A 81 -0.642 -11.194 8.891 1.00 0.00 H new ATOM 0 HE2 LYS A 81 -2.705 -10.386 9.445 1.00 0.00 H new ATOM 0 HE3 LYS A 81 -3.529 -11.566 8.446 1.00 0.00 H new ATOM 0 HZ1 LYS A 81 -4.051 -11.874 10.775 1.00 0.00 H new ATOM 0 HZ2 LYS A 81 -3.207 -13.223 10.184 1.00 0.00 H new ATOM 0 HZ3 LYS A 81 -2.408 -12.080 11.153 1.00 0.00 H new ATOM 1300 N ARG A 82 -0.725 -15.784 4.573 1.00 0.00 N ATOM 1301 CA ARG A 82 -0.880 -17.075 3.925 1.00 0.00 C ATOM 1302 C ARG A 82 -0.285 -17.037 2.516 1.00 0.00 C ATOM 1303 O ARG A 82 -0.955 -16.633 1.567 1.00 0.00 O ATOM 1304 CB ARG A 82 -2.355 -17.475 3.838 1.00 0.00 C ATOM 1305 CG ARG A 82 -2.950 -17.679 5.233 1.00 0.00 C ATOM 1306 CD ARG A 82 -4.378 -18.222 5.145 1.00 0.00 C ATOM 1307 NE ARG A 82 -4.482 -19.496 5.891 1.00 0.00 N ATOM 1308 CZ ARG A 82 -5.608 -20.215 5.997 1.00 0.00 C ATOM 1309 NH1 ARG A 82 -6.732 -19.790 5.404 1.00 0.00 N ATOM 1310 NH2 ARG A 82 -5.609 -21.359 6.695 1.00 0.00 N ATOM 0 H ARG A 82 -0.840 -14.980 3.955 1.00 0.00 H new ATOM 0 HA ARG A 82 -0.350 -17.813 4.527 1.00 0.00 H new ATOM 0 HB2 ARG A 82 -2.914 -16.703 3.309 1.00 0.00 H new ATOM 0 HB3 ARG A 82 -2.453 -18.393 3.259 1.00 0.00 H new ATOM 0 HG2 ARG A 82 -2.328 -18.371 5.800 1.00 0.00 H new ATOM 0 HG3 ARG A 82 -2.949 -16.733 5.775 1.00 0.00 H new ATOM 0 HD2 ARG A 82 -5.079 -17.494 5.553 1.00 0.00 H new ATOM 0 HD3 ARG A 82 -4.653 -18.378 4.102 1.00 0.00 H new ATOM 0 HE ARG A 82 -3.644 -19.849 6.353 1.00 0.00 H new ATOM 0 HH11 ARG A 82 -6.730 -18.920 4.872 1.00 0.00 H new ATOM 0 HH12 ARG A 82 -7.589 -20.337 5.484 1.00 0.00 H new ATOM 0 HH21 ARG A 82 -4.753 -21.682 7.145 1.00 0.00 H new ATOM 0 HH22 ARG A 82 -6.466 -21.906 6.776 1.00 0.00 H new ATOM 1324 N PRO A 83 0.999 -17.475 2.422 1.00 0.00 N ATOM 1325 CA PRO A 83 1.691 -17.495 1.145 1.00 0.00 C ATOM 1326 C PRO A 83 1.197 -18.649 0.271 1.00 0.00 C ATOM 1327 O PRO A 83 1.459 -18.679 -0.931 1.00 0.00 O ATOM 1328 CB PRO A 83 3.165 -17.606 1.498 1.00 0.00 C ATOM 1329 CG PRO A 83 3.213 -18.111 2.931 1.00 0.00 C ATOM 1330 CD PRO A 83 1.822 -17.961 3.525 1.00 0.00 C ATOM 0 HA PRO A 83 1.503 -16.600 0.551 1.00 0.00 H new ATOM 0 HB2 PRO A 83 3.677 -18.293 0.824 1.00 0.00 H new ATOM 0 HB3 PRO A 83 3.662 -16.640 1.407 1.00 0.00 H new ATOM 0 HG2 PRO A 83 3.529 -19.154 2.958 1.00 0.00 H new ATOM 0 HG3 PRO A 83 3.939 -17.543 3.512 1.00 0.00 H new ATOM 0 HD2 PRO A 83 1.450 -18.911 3.908 1.00 0.00 H new ATOM 0 HD3 PRO A 83 1.821 -17.259 4.359 1.00 0.00 H new ATOM 1338 N GLU A 84 0.490 -19.571 0.908 1.00 0.00 N ATOM 1339 CA GLU A 84 -0.043 -20.725 0.204 1.00 0.00 C ATOM 1340 C GLU A 84 -0.996 -20.275 -0.906 1.00 0.00 C ATOM 1341 O GLU A 84 -1.179 -20.982 -1.896 1.00 0.00 O ATOM 1342 CB GLU A 84 -0.741 -21.683 1.171 1.00 0.00 C ATOM 1343 CG GLU A 84 -2.004 -21.048 1.756 1.00 0.00 C ATOM 1344 CD GLU A 84 -2.807 -22.070 2.563 1.00 0.00 C ATOM 1345 OE1 GLU A 84 -2.416 -22.309 3.726 1.00 0.00 O ATOM 1346 OE2 GLU A 84 -3.795 -22.589 1.998 1.00 0.00 O ATOM 0 H GLU A 84 0.274 -19.542 1.904 1.00 0.00 H new ATOM 0 HA GLU A 84 0.787 -21.264 -0.252 1.00 0.00 H new ATOM 0 HB2 GLU A 84 -1.001 -22.605 0.651 1.00 0.00 H new ATOM 0 HB3 GLU A 84 -0.059 -21.953 1.977 1.00 0.00 H new ATOM 0 HG2 GLU A 84 -1.731 -20.208 2.395 1.00 0.00 H new ATOM 0 HG3 GLU A 84 -2.621 -20.649 0.951 1.00 0.00 H new ATOM 1353 N LEU A 85 -1.578 -19.102 -0.703 1.00 0.00 N ATOM 1354 CA LEU A 85 -2.508 -18.550 -1.674 1.00 0.00 C ATOM 1355 C LEU A 85 -1.749 -18.192 -2.953 1.00 0.00 C ATOM 1356 O LEU A 85 -2.159 -18.571 -4.049 1.00 0.00 O ATOM 1357 CB LEU A 85 -3.281 -17.377 -1.069 1.00 0.00 C ATOM 1358 CG LEU A 85 -3.953 -17.641 0.280 1.00 0.00 C ATOM 1359 CD1 LEU A 85 -4.506 -16.347 0.880 1.00 0.00 C ATOM 1360 CD2 LEU A 85 -5.030 -18.721 0.155 1.00 0.00 C ATOM 0 H LEU A 85 -1.424 -18.519 0.119 1.00 0.00 H new ATOM 0 HA LEU A 85 -3.260 -19.291 -1.945 1.00 0.00 H new ATOM 0 HB2 LEU A 85 -2.596 -16.537 -0.953 1.00 0.00 H new ATOM 0 HB3 LEU A 85 -4.047 -17.067 -1.780 1.00 0.00 H new ATOM 0 HG LEU A 85 -3.198 -18.018 0.969 1.00 0.00 H new ATOM 0 HD11 LEU A 85 -4.978 -16.563 1.838 1.00 0.00 H new ATOM 0 HD12 LEU A 85 -3.692 -15.638 1.028 1.00 0.00 H new ATOM 0 HD13 LEU A 85 -5.243 -15.917 0.201 1.00 0.00 H new ATOM 0 HD21 LEU A 85 -5.492 -18.889 1.128 1.00 0.00 H new ATOM 0 HD22 LEU A 85 -5.790 -18.396 -0.556 1.00 0.00 H new ATOM 0 HD23 LEU A 85 -4.577 -19.648 -0.196 1.00 0.00 H new ATOM 1372 N LEU A 86 -0.656 -17.466 -2.771 1.00 0.00 N ATOM 1373 CA LEU A 86 0.164 -17.052 -3.898 1.00 0.00 C ATOM 1374 C LEU A 86 0.285 -18.212 -4.888 1.00 0.00 C ATOM 1375 O LEU A 86 0.010 -18.050 -6.076 1.00 0.00 O ATOM 1376 CB LEU A 86 1.512 -16.516 -3.411 1.00 0.00 C ATOM 1377 CG LEU A 86 1.452 -15.414 -2.351 1.00 0.00 C ATOM 1378 CD1 LEU A 86 2.855 -14.915 -1.999 1.00 0.00 C ATOM 1379 CD2 LEU A 86 0.534 -14.274 -2.797 1.00 0.00 C ATOM 0 H LEU A 86 -0.319 -17.154 -1.860 1.00 0.00 H new ATOM 0 HA LEU A 86 -0.308 -16.226 -4.430 1.00 0.00 H new ATOM 0 HB2 LEU A 86 2.088 -17.349 -3.008 1.00 0.00 H new ATOM 0 HB3 LEU A 86 2.062 -16.135 -4.272 1.00 0.00 H new ATOM 0 HG LEU A 86 1.023 -15.837 -1.443 1.00 0.00 H new ATOM 0 HD11 LEU A 86 2.784 -14.132 -1.244 1.00 0.00 H new ATOM 0 HD12 LEU A 86 3.448 -15.742 -1.610 1.00 0.00 H new ATOM 0 HD13 LEU A 86 3.334 -14.514 -2.893 1.00 0.00 H new ATOM 0 HD21 LEU A 86 0.509 -13.504 -2.026 1.00 0.00 H new ATOM 0 HD22 LEU A 86 0.911 -13.845 -3.726 1.00 0.00 H new ATOM 0 HD23 LEU A 86 -0.473 -14.659 -2.958 1.00 0.00 H new