USER MOD reduce.3.24.130724 H: found=0, std=0, add=381, rem=0, adj=7 USER MOD reduce.3.24.130724 removed 382 hydrogens (0 hets) USER MOD ----------------------------------------------------------------- USER MOD scores for adjustable sidechains, with "set" totals for H,N and Q USER MOD "o" means original, "f" means flipped, "180deg" is methyl default USER MOD "!" flags a clash with an overlap of 0.40A or greater USER MOD flip categories: "K"=keep, "C"=clashes, "X"=uncertain, "F"=flip USER MOD Single : A 88 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 98 THR OG1 : rot 180:sc= 0 USER MOD Single : A 100 CYS SG : rot 55:sc= 0.058 USER MOD Single : A 102 TYR OH : rot -166:sc=0.000199 USER MOD Single : A 103 TYR OH : rot 180:sc= 0 USER MOD Single : A 106 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 117 THR OG1 : rot 180:sc= 0 USER MOD Single : A 119 GLN : amide:sc= 0.71 K(o=0.71,f=0) USER MOD Single : A 121 TYR OH : rot 180:sc= 0 USER MOD Single : A 127 CYS SG : rot 180:sc= 0 USER MOD Single : A 129 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 131 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 132 HIS : no HD1:sc= 0.43 K(o=0.43,f=-2.4!) USER MOD Single : A 134 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 136 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD ----------------------------------------------------------------- ATOM 100 N PHE A 87 8.446 3.176 -2.024 1.00 0.00 N ATOM 101 CA PHE A 87 9.028 2.230 -1.063 1.00 0.00 C ATOM 102 C PHE A 87 10.159 2.864 -0.222 1.00 0.00 C ATOM 103 O PHE A 87 10.688 3.930 -0.559 1.00 0.00 O ATOM 104 CB PHE A 87 9.570 1.005 -1.815 1.00 0.00 C ATOM 105 CG PHE A 87 8.550 0.169 -2.574 1.00 0.00 C ATOM 106 CD1 PHE A 87 7.493 -0.458 -1.885 1.00 0.00 C ATOM 107 CD2 PHE A 87 8.689 -0.036 -3.962 1.00 0.00 C ATOM 108 CE1 PHE A 87 6.576 -1.271 -2.576 1.00 0.00 C ATOM 109 CE2 PHE A 87 7.777 -0.856 -4.653 1.00 0.00 C ATOM 110 CZ PHE A 87 6.720 -1.474 -3.959 1.00 0.00 C ATOM 0 HA PHE A 87 8.237 1.935 -0.374 1.00 0.00 H new ATOM 0 HB2 PHE A 87 10.326 1.346 -2.522 1.00 0.00 H new ATOM 0 HB3 PHE A 87 10.074 0.359 -1.096 1.00 0.00 H new ATOM 0 HD1 PHE A 87 7.386 -0.314 -0.820 1.00 0.00 H new ATOM 0 HD2 PHE A 87 9.498 0.438 -4.497 1.00 0.00 H new ATOM 0 HE1 PHE A 87 5.761 -1.739 -2.043 1.00 0.00 H new ATOM 0 HE2 PHE A 87 7.888 -1.011 -5.716 1.00 0.00 H new ATOM 0 HZ PHE A 87 6.020 -2.104 -4.489 1.00 0.00 H new ATOM 120 N LYS A 88 10.582 2.166 0.841 1.00 0.00 N ATOM 121 CA LYS A 88 11.732 2.512 1.703 1.00 0.00 C ATOM 122 C LYS A 88 12.538 1.270 2.111 1.00 0.00 C ATOM 123 O LYS A 88 12.030 0.148 2.068 1.00 0.00 O ATOM 124 CB LYS A 88 11.228 3.301 2.929 1.00 0.00 C ATOM 125 CG LYS A 88 10.352 2.455 3.868 1.00 0.00 C ATOM 126 CD LYS A 88 9.661 3.299 4.941 1.00 0.00 C ATOM 127 CE LYS A 88 8.835 2.391 5.859 1.00 0.00 C ATOM 128 NZ LYS A 88 8.122 3.173 6.902 1.00 0.00 N ATOM 0 H LYS A 88 10.117 1.309 1.140 1.00 0.00 H new ATOM 0 HA LYS A 88 12.419 3.141 1.137 1.00 0.00 H new ATOM 0 HB2 LYS A 88 12.084 3.683 3.485 1.00 0.00 H new ATOM 0 HB3 LYS A 88 10.657 4.165 2.589 1.00 0.00 H new ATOM 0 HG2 LYS A 88 9.598 1.930 3.282 1.00 0.00 H new ATOM 0 HG3 LYS A 88 10.968 1.695 4.349 1.00 0.00 H new ATOM 0 HD2 LYS A 88 10.404 3.843 5.524 1.00 0.00 H new ATOM 0 HD3 LYS A 88 9.016 4.043 4.473 1.00 0.00 H new ATOM 0 HE2 LYS A 88 8.112 1.832 5.265 1.00 0.00 H new ATOM 0 HE3 LYS A 88 9.490 1.661 6.335 1.00 0.00 H new ATOM 0 HZ1 LYS A 88 7.573 2.528 7.505 1.00 0.00 H new ATOM 0 HZ2 LYS A 88 8.814 3.687 7.484 1.00 0.00 H new ATOM 0 HZ3 LYS A 88 7.479 3.853 6.448 1.00 0.00 H new ATOM 142 N ALA A 89 13.790 1.460 2.528 1.00 0.00 N ATOM 143 CA ALA A 89 14.628 0.380 3.054 1.00 0.00 C ATOM 144 C ALA A 89 14.045 -0.216 4.357 1.00 0.00 C ATOM 145 O ALA A 89 13.512 0.505 5.206 1.00 0.00 O ATOM 146 CB ALA A 89 16.050 0.914 3.260 1.00 0.00 C ATOM 0 H ALA A 89 14.253 2.369 2.511 1.00 0.00 H new ATOM 0 HA ALA A 89 14.653 -0.437 2.333 1.00 0.00 H new ATOM 0 HB1 ALA A 89 16.684 0.119 3.652 1.00 0.00 H new ATOM 0 HB2 ALA A 89 16.450 1.261 2.307 1.00 0.00 H new ATOM 0 HB3 ALA A 89 16.028 1.743 3.968 1.00 0.00 H new ATOM 152 N GLY A 90 14.141 -1.539 4.512 1.00 0.00 N ATOM 153 CA GLY A 90 13.611 -2.312 5.643 1.00 0.00 C ATOM 154 C GLY A 90 12.122 -2.682 5.533 1.00 0.00 C ATOM 155 O GLY A 90 11.643 -3.521 6.297 1.00 0.00 O ATOM 0 H GLY A 90 14.610 -2.128 3.824 1.00 0.00 H new ATOM 0 HA2 GLY A 90 14.192 -3.229 5.742 1.00 0.00 H new ATOM 0 HA3 GLY A 90 13.762 -1.739 6.558 1.00 0.00 H new ATOM 159 N GLU A 91 11.381 -2.078 4.599 1.00 0.00 N ATOM 160 CA GLU A 91 9.948 -2.321 4.383 1.00 0.00 C ATOM 161 C GLU A 91 9.682 -3.676 3.705 1.00 0.00 C ATOM 162 O GLU A 91 10.382 -4.067 2.764 1.00 0.00 O ATOM 163 CB GLU A 91 9.393 -1.168 3.540 1.00 0.00 C ATOM 164 CG GLU A 91 7.868 -1.168 3.407 1.00 0.00 C ATOM 165 CD GLU A 91 7.376 0.152 2.788 1.00 0.00 C ATOM 166 OE1 GLU A 91 7.809 0.496 1.663 1.00 0.00 O ATOM 167 OE2 GLU A 91 6.564 0.859 3.435 1.00 0.00 O ATOM 0 H GLU A 91 11.769 -1.389 3.955 1.00 0.00 H new ATOM 0 HA GLU A 91 9.444 -2.363 5.349 1.00 0.00 H new ATOM 0 HB2 GLU A 91 9.708 -0.224 3.984 1.00 0.00 H new ATOM 0 HB3 GLU A 91 9.834 -1.215 2.544 1.00 0.00 H new ATOM 0 HG2 GLU A 91 7.552 -2.006 2.786 1.00 0.00 H new ATOM 0 HG3 GLU A 91 7.412 -1.308 4.387 1.00 0.00 H new ATOM 174 N GLU A 92 8.652 -4.387 4.170 1.00 0.00 N ATOM 175 CA GLU A 92 8.189 -5.650 3.592 1.00 0.00 C ATOM 176 C GLU A 92 7.302 -5.443 2.351 1.00 0.00 C ATOM 177 O GLU A 92 6.491 -4.515 2.280 1.00 0.00 O ATOM 178 CB GLU A 92 7.501 -6.542 4.640 1.00 0.00 C ATOM 179 CG GLU A 92 6.263 -5.963 5.336 1.00 0.00 C ATOM 180 CD GLU A 92 6.623 -5.035 6.513 1.00 0.00 C ATOM 181 OE1 GLU A 92 6.841 -3.818 6.292 1.00 0.00 O ATOM 182 OE2 GLU A 92 6.687 -5.518 7.670 1.00 0.00 O ATOM 0 H GLU A 92 8.104 -4.093 4.978 1.00 0.00 H new ATOM 0 HA GLU A 92 9.081 -6.176 3.252 1.00 0.00 H new ATOM 0 HB2 GLU A 92 7.213 -7.475 4.155 1.00 0.00 H new ATOM 0 HB3 GLU A 92 8.235 -6.794 5.406 1.00 0.00 H new ATOM 0 HG2 GLU A 92 5.669 -5.408 4.610 1.00 0.00 H new ATOM 0 HG3 GLU A 92 5.640 -6.780 5.700 1.00 0.00 H new ATOM 189 N VAL A 93 7.478 -6.325 1.366 1.00 0.00 N ATOM 190 CA VAL A 93 6.901 -6.250 0.013 1.00 0.00 C ATOM 191 C VAL A 93 6.716 -7.651 -0.585 1.00 0.00 C ATOM 192 O VAL A 93 7.252 -8.636 -0.067 1.00 0.00 O ATOM 193 CB VAL A 93 7.815 -5.421 -0.926 1.00 0.00 C ATOM 194 CG1 VAL A 93 7.874 -3.942 -0.524 1.00 0.00 C ATOM 195 CG2 VAL A 93 9.252 -5.959 -1.018 1.00 0.00 C ATOM 0 H VAL A 93 8.056 -7.156 1.492 1.00 0.00 H new ATOM 0 HA VAL A 93 5.929 -5.765 0.100 1.00 0.00 H new ATOM 0 HB VAL A 93 7.349 -5.518 -1.907 1.00 0.00 H new ATOM 0 HG11 VAL A 93 8.526 -3.404 -1.212 1.00 0.00 H new ATOM 0 HG12 VAL A 93 6.872 -3.514 -0.564 1.00 0.00 H new ATOM 0 HG13 VAL A 93 8.265 -3.856 0.490 1.00 0.00 H new ATOM 0 HG21 VAL A 93 9.834 -5.330 -1.692 1.00 0.00 H new ATOM 0 HG22 VAL A 93 9.708 -5.949 -0.028 1.00 0.00 H new ATOM 0 HG23 VAL A 93 9.235 -6.980 -1.399 1.00 0.00 H new ATOM 205 N LEU A 94 5.983 -7.748 -1.697 1.00 0.00 N ATOM 206 CA LEU A 94 5.936 -8.944 -2.540 1.00 0.00 C ATOM 207 C LEU A 94 6.906 -8.711 -3.704 1.00 0.00 C ATOM 208 O LEU A 94 6.830 -7.679 -4.374 1.00 0.00 O ATOM 209 CB LEU A 94 4.517 -9.215 -3.084 1.00 0.00 C ATOM 210 CG LEU A 94 3.484 -9.841 -2.129 1.00 0.00 C ATOM 211 CD1 LEU A 94 3.928 -11.210 -1.610 1.00 0.00 C ATOM 212 CD2 LEU A 94 3.145 -8.946 -0.943 1.00 0.00 C ATOM 0 H LEU A 94 5.398 -6.987 -2.041 1.00 0.00 H new ATOM 0 HA LEU A 94 6.216 -9.817 -1.950 1.00 0.00 H new ATOM 0 HB2 LEU A 94 4.110 -8.269 -3.442 1.00 0.00 H new ATOM 0 HB3 LEU A 94 4.611 -9.870 -3.950 1.00 0.00 H new ATOM 0 HG LEU A 94 2.585 -9.961 -2.734 1.00 0.00 H new ATOM 0 HD11 LEU A 94 3.166 -11.610 -0.941 1.00 0.00 H new ATOM 0 HD12 LEU A 94 4.066 -11.890 -2.450 1.00 0.00 H new ATOM 0 HD13 LEU A 94 4.868 -11.106 -1.069 1.00 0.00 H new ATOM 0 HD21 LEU A 94 2.412 -9.445 -0.309 1.00 0.00 H new ATOM 0 HD22 LEU A 94 4.049 -8.748 -0.367 1.00 0.00 H new ATOM 0 HD23 LEU A 94 2.731 -8.004 -1.304 1.00 0.00 H new ATOM 224 N ALA A 95 7.795 -9.663 -3.969 1.00 0.00 N ATOM 225 CA ALA A 95 8.832 -9.550 -4.990 1.00 0.00 C ATOM 226 C ALA A 95 8.912 -10.824 -5.843 1.00 0.00 C ATOM 227 O ALA A 95 8.901 -11.942 -5.318 1.00 0.00 O ATOM 228 CB ALA A 95 10.161 -9.241 -4.292 1.00 0.00 C ATOM 0 H ALA A 95 7.816 -10.553 -3.470 1.00 0.00 H new ATOM 0 HA ALA A 95 8.592 -8.740 -5.678 1.00 0.00 H new ATOM 0 HB1 ALA A 95 10.951 -9.152 -5.037 1.00 0.00 H new ATOM 0 HB2 ALA A 95 10.074 -8.304 -3.742 1.00 0.00 H new ATOM 0 HB3 ALA A 95 10.404 -10.047 -3.599 1.00 0.00 H new ATOM 234 N ARG A 96 8.972 -10.655 -7.168 1.00 0.00 N ATOM 235 CA ARG A 96 9.192 -11.733 -8.144 1.00 0.00 C ATOM 236 C ARG A 96 10.611 -12.305 -8.021 1.00 0.00 C ATOM 237 O ARG A 96 11.508 -11.648 -7.489 1.00 0.00 O ATOM 238 CB ARG A 96 8.904 -11.194 -9.558 1.00 0.00 C ATOM 239 CG ARG A 96 8.464 -12.289 -10.543 1.00 0.00 C ATOM 240 CD ARG A 96 8.268 -11.687 -11.940 1.00 0.00 C ATOM 241 NE ARG A 96 7.838 -12.693 -12.931 1.00 0.00 N ATOM 242 CZ ARG A 96 8.600 -13.557 -13.581 1.00 0.00 C ATOM 243 NH1 ARG A 96 9.863 -13.734 -13.310 1.00 0.00 N ATOM 244 NH2 ARG A 96 8.093 -14.278 -14.541 1.00 0.00 N ATOM 0 H ARG A 96 8.866 -9.740 -7.606 1.00 0.00 H new ATOM 0 HA ARG A 96 8.509 -12.558 -7.942 1.00 0.00 H new ATOM 0 HB2 ARG A 96 8.126 -10.433 -9.499 1.00 0.00 H new ATOM 0 HB3 ARG A 96 9.799 -10.705 -9.943 1.00 0.00 H new ATOM 0 HG2 ARG A 96 9.214 -13.079 -10.580 1.00 0.00 H new ATOM 0 HG3 ARG A 96 7.535 -12.746 -10.201 1.00 0.00 H new ATOM 0 HD2 ARG A 96 7.525 -10.891 -11.889 1.00 0.00 H new ATOM 0 HD3 ARG A 96 9.201 -11.231 -12.270 1.00 0.00 H new ATOM 0 HE ARG A 96 6.840 -12.726 -13.138 1.00 0.00 H new ATOM 0 HH11 ARG A 96 10.306 -13.193 -12.567 1.00 0.00 H new ATOM 0 HH12 ARG A 96 10.408 -14.413 -13.841 1.00 0.00 H new ATOM 0 HH21 ARG A 96 7.109 -14.176 -14.791 1.00 0.00 H new ATOM 0 HH22 ARG A 96 8.680 -14.944 -15.043 1.00 0.00 H new ATOM 258 N TRP A 97 10.830 -13.506 -8.549 1.00 0.00 N ATOM 259 CA TRP A 97 12.125 -14.199 -8.529 1.00 0.00 C ATOM 260 C TRP A 97 12.445 -14.824 -9.901 1.00 0.00 C ATOM 261 O TRP A 97 11.842 -14.452 -10.913 1.00 0.00 O ATOM 262 CB TRP A 97 12.112 -15.212 -7.371 1.00 0.00 C ATOM 263 CG TRP A 97 13.448 -15.520 -6.762 1.00 0.00 C ATOM 264 CD1 TRP A 97 13.999 -16.750 -6.644 1.00 0.00 C ATOM 265 CD2 TRP A 97 14.378 -14.605 -6.095 1.00 0.00 C ATOM 266 NE1 TRP A 97 15.207 -16.659 -5.975 1.00 0.00 N ATOM 267 CE2 TRP A 97 15.467 -15.367 -5.572 1.00 0.00 C ATOM 268 CE3 TRP A 97 14.396 -13.215 -5.845 1.00 0.00 C ATOM 269 CZ2 TRP A 97 16.494 -14.785 -4.812 1.00 0.00 C ATOM 270 CZ3 TRP A 97 15.404 -12.628 -5.055 1.00 0.00 C ATOM 271 CH2 TRP A 97 16.440 -13.412 -4.523 1.00 0.00 C ATOM 0 H TRP A 97 10.097 -14.041 -9.015 1.00 0.00 H new ATOM 0 HA TRP A 97 12.937 -13.494 -8.349 1.00 0.00 H new ATOM 0 HB2 TRP A 97 11.455 -14.833 -6.588 1.00 0.00 H new ATOM 0 HB3 TRP A 97 11.674 -16.143 -7.732 1.00 0.00 H new ATOM 0 HD1 TRP A 97 13.562 -17.665 -7.016 1.00 0.00 H new ATOM 0 HE1 TRP A 97 15.828 -17.450 -5.802 1.00 0.00 H new ATOM 0 HE3 TRP A 97 13.623 -12.591 -6.267 1.00 0.00 H new ATOM 0 HZ2 TRP A 97 17.316 -15.387 -4.454 1.00 0.00 H new ATOM 0 HZ3 TRP A 97 15.380 -11.567 -4.857 1.00 0.00 H new ATOM 0 HH2 TRP A 97 17.193 -12.961 -3.894 1.00 0.00 H new ATOM 282 N THR A 98 13.407 -15.754 -9.962 1.00 0.00 N ATOM 283 CA THR A 98 13.678 -16.551 -11.176 1.00 0.00 C ATOM 284 C THR A 98 12.479 -17.428 -11.589 1.00 0.00 C ATOM 285 O THR A 98 12.248 -17.658 -12.779 1.00 0.00 O ATOM 286 CB THR A 98 14.969 -17.378 -11.010 1.00 0.00 C ATOM 287 OG1 THR A 98 15.387 -17.898 -12.252 1.00 0.00 O ATOM 288 CG2 THR A 98 14.859 -18.551 -10.034 1.00 0.00 C ATOM 0 H THR A 98 14.019 -15.978 -9.178 1.00 0.00 H new ATOM 0 HA THR A 98 13.832 -15.850 -11.996 1.00 0.00 H new ATOM 0 HB THR A 98 15.690 -16.673 -10.597 1.00 0.00 H new ATOM 0 HG1 THR A 98 16.208 -18.419 -12.129 1.00 0.00 H new ATOM 0 HG21 THR A 98 15.815 -19.073 -9.983 1.00 0.00 H new ATOM 0 HG22 THR A 98 14.596 -18.177 -9.044 1.00 0.00 H new ATOM 0 HG23 THR A 98 14.087 -19.240 -10.378 1.00 0.00 H new ATOM 296 N ASP A 99 11.664 -17.866 -10.620 1.00 0.00 N ATOM 297 CA ASP A 99 10.373 -18.532 -10.853 1.00 0.00 C ATOM 298 C ASP A 99 9.248 -17.520 -11.170 1.00 0.00 C ATOM 299 O ASP A 99 9.295 -16.361 -10.754 1.00 0.00 O ATOM 300 CB ASP A 99 10.022 -19.376 -9.618 1.00 0.00 C ATOM 301 CG ASP A 99 8.901 -20.382 -9.924 1.00 0.00 C ATOM 302 OD1 ASP A 99 9.174 -21.382 -10.630 1.00 0.00 O ATOM 303 OD2 ASP A 99 7.749 -20.170 -9.484 1.00 0.00 O ATOM 0 H ASP A 99 11.888 -17.765 -9.630 1.00 0.00 H new ATOM 0 HA ASP A 99 10.464 -19.176 -11.727 1.00 0.00 H new ATOM 0 HB2 ASP A 99 10.909 -19.910 -9.277 1.00 0.00 H new ATOM 0 HB3 ASP A 99 9.712 -18.721 -8.804 1.00 0.00 H new ATOM 308 N CYS A 100 8.210 -17.960 -11.889 1.00 0.00 N ATOM 309 CA CYS A 100 7.076 -17.150 -12.363 1.00 0.00 C ATOM 310 C CYS A 100 6.061 -16.713 -11.271 1.00 0.00 C ATOM 311 O CYS A 100 4.856 -16.627 -11.535 1.00 0.00 O ATOM 312 CB CYS A 100 6.416 -17.904 -13.532 1.00 0.00 C ATOM 313 SG CYS A 100 5.714 -19.493 -12.987 1.00 0.00 S ATOM 0 H CYS A 100 8.131 -18.937 -12.171 1.00 0.00 H new ATOM 0 HA CYS A 100 7.470 -16.191 -12.699 1.00 0.00 H new ATOM 0 HB2 CYS A 100 5.629 -17.287 -13.967 1.00 0.00 H new ATOM 0 HB3 CYS A 100 7.153 -18.080 -14.316 1.00 0.00 H new ATOM 0 HG CYS A 100 4.889 -19.288 -12.004 1.00 0.00 H new ATOM 319 N ARG A 101 6.521 -16.453 -10.041 1.00 0.00 N ATOM 320 CA ARG A 101 5.710 -16.118 -8.853 1.00 0.00 C ATOM 321 C ARG A 101 6.337 -14.981 -8.039 1.00 0.00 C ATOM 322 O ARG A 101 7.548 -14.762 -8.093 1.00 0.00 O ATOM 323 CB ARG A 101 5.571 -17.369 -7.958 1.00 0.00 C ATOM 324 CG ARG A 101 4.786 -18.543 -8.568 1.00 0.00 C ATOM 325 CD ARG A 101 3.303 -18.218 -8.784 1.00 0.00 C ATOM 326 NE ARG A 101 2.559 -19.407 -9.246 1.00 0.00 N ATOM 327 CZ ARG A 101 1.251 -19.504 -9.403 1.00 0.00 C ATOM 328 NH1 ARG A 101 0.444 -18.508 -9.169 1.00 0.00 N ATOM 329 NH2 ARG A 101 0.720 -20.625 -9.803 1.00 0.00 N ATOM 0 H ARG A 101 7.519 -16.470 -9.832 1.00 0.00 H new ATOM 0 HA ARG A 101 4.731 -15.786 -9.198 1.00 0.00 H new ATOM 0 HB2 ARG A 101 6.570 -17.720 -7.698 1.00 0.00 H new ATOM 0 HB3 ARG A 101 5.085 -17.075 -7.028 1.00 0.00 H new ATOM 0 HG2 ARG A 101 5.236 -18.818 -9.522 1.00 0.00 H new ATOM 0 HG3 ARG A 101 4.872 -19.410 -7.913 1.00 0.00 H new ATOM 0 HD2 ARG A 101 2.869 -17.852 -7.854 1.00 0.00 H new ATOM 0 HD3 ARG A 101 3.206 -17.417 -9.517 1.00 0.00 H new ATOM 0 HE ARG A 101 3.110 -20.236 -9.466 1.00 0.00 H new ATOM 0 HH11 ARG A 101 0.817 -17.613 -8.852 1.00 0.00 H new ATOM 0 HH12 ARG A 101 -0.561 -18.623 -9.302 1.00 0.00 H new ATOM 0 HH21 ARG A 101 1.315 -21.431 -9.996 1.00 0.00 H new ATOM 0 HH22 ARG A 101 -0.290 -20.696 -9.923 1.00 0.00 H new ATOM 343 N TYR A 102 5.503 -14.294 -7.255 1.00 0.00 N ATOM 344 CA TYR A 102 5.913 -13.298 -6.255 1.00 0.00 C ATOM 345 C TYR A 102 5.921 -13.927 -4.850 1.00 0.00 C ATOM 346 O TYR A 102 5.113 -14.808 -4.542 1.00 0.00 O ATOM 347 CB TYR A 102 4.974 -12.075 -6.294 1.00 0.00 C ATOM 348 CG TYR A 102 5.141 -11.144 -7.490 1.00 0.00 C ATOM 349 CD1 TYR A 102 4.750 -11.554 -8.781 1.00 0.00 C ATOM 350 CD2 TYR A 102 5.648 -9.841 -7.303 1.00 0.00 C ATOM 351 CE1 TYR A 102 4.889 -10.680 -9.878 1.00 0.00 C ATOM 352 CE2 TYR A 102 5.776 -8.960 -8.395 1.00 0.00 C ATOM 353 CZ TYR A 102 5.404 -9.380 -9.690 1.00 0.00 C ATOM 354 OH TYR A 102 5.529 -8.545 -10.758 1.00 0.00 O ATOM 0 H TYR A 102 4.491 -14.417 -7.298 1.00 0.00 H new ATOM 0 HA TYR A 102 6.923 -12.962 -6.492 1.00 0.00 H new ATOM 0 HB2 TYR A 102 3.944 -12.432 -6.277 1.00 0.00 H new ATOM 0 HB3 TYR A 102 5.126 -11.496 -5.383 1.00 0.00 H new ATOM 0 HD1 TYR A 102 4.342 -12.543 -8.930 1.00 0.00 H new ATOM 0 HD2 TYR A 102 5.940 -9.516 -6.315 1.00 0.00 H new ATOM 0 HE1 TYR A 102 4.600 -11.007 -10.866 1.00 0.00 H new ATOM 0 HE2 TYR A 102 6.159 -7.962 -8.241 1.00 0.00 H new ATOM 0 HH TYR A 102 6.095 -7.783 -10.513 1.00 0.00 H new ATOM 364 N TYR A 103 6.820 -13.448 -3.987 1.00 0.00 N ATOM 365 CA TYR A 103 7.113 -13.998 -2.658 1.00 0.00 C ATOM 366 C TYR A 103 7.335 -12.875 -1.626 1.00 0.00 C ATOM 367 O TYR A 103 7.758 -11.780 -2.012 1.00 0.00 O ATOM 368 CB TYR A 103 8.399 -14.832 -2.753 1.00 0.00 C ATOM 369 CG TYR A 103 8.328 -16.048 -3.657 1.00 0.00 C ATOM 370 CD1 TYR A 103 7.854 -17.273 -3.149 1.00 0.00 C ATOM 371 CD2 TYR A 103 8.764 -15.961 -4.995 1.00 0.00 C ATOM 372 CE1 TYR A 103 7.836 -18.418 -3.969 1.00 0.00 C ATOM 373 CE2 TYR A 103 8.747 -17.103 -5.818 1.00 0.00 C ATOM 374 CZ TYR A 103 8.290 -18.335 -5.305 1.00 0.00 C ATOM 375 OH TYR A 103 8.291 -19.441 -6.096 1.00 0.00 O ATOM 0 H TYR A 103 7.390 -12.630 -4.203 1.00 0.00 H new ATOM 0 HA TYR A 103 6.267 -14.605 -2.336 1.00 0.00 H new ATOM 0 HB2 TYR A 103 9.204 -14.187 -3.105 1.00 0.00 H new ATOM 0 HB3 TYR A 103 8.671 -15.163 -1.751 1.00 0.00 H new ATOM 0 HD1 TYR A 103 7.504 -17.335 -2.129 1.00 0.00 H new ATOM 0 HD2 TYR A 103 9.111 -15.017 -5.389 1.00 0.00 H new ATOM 0 HE1 TYR A 103 7.476 -19.358 -3.578 1.00 0.00 H new ATOM 0 HE2 TYR A 103 9.084 -17.036 -6.842 1.00 0.00 H new ATOM 0 HH TYR A 103 8.633 -19.208 -6.984 1.00 0.00 H new ATOM 385 N PRO A 104 7.101 -13.118 -0.321 1.00 0.00 N ATOM 386 CA PRO A 104 7.372 -12.131 0.724 1.00 0.00 C ATOM 387 C PRO A 104 8.881 -11.864 0.865 1.00 0.00 C ATOM 388 O PRO A 104 9.689 -12.788 1.000 1.00 0.00 O ATOM 389 CB PRO A 104 6.753 -12.705 2.002 1.00 0.00 C ATOM 390 CG PRO A 104 6.767 -14.215 1.769 1.00 0.00 C ATOM 391 CD PRO A 104 6.568 -14.344 0.259 1.00 0.00 C ATOM 0 HA PRO A 104 6.938 -11.159 0.489 1.00 0.00 H new ATOM 0 HB2 PRO A 104 7.332 -12.431 2.884 1.00 0.00 H new ATOM 0 HB3 PRO A 104 5.740 -12.334 2.157 1.00 0.00 H new ATOM 0 HG2 PRO A 104 7.708 -14.662 2.090 1.00 0.00 H new ATOM 0 HG3 PRO A 104 5.972 -14.714 2.323 1.00 0.00 H new ATOM 0 HD2 PRO A 104 7.089 -15.219 -0.130 1.00 0.00 H new ATOM 0 HD3 PRO A 104 5.513 -14.466 0.013 1.00 0.00 H new ATOM 399 N ALA A 105 9.252 -10.587 0.850 1.00 0.00 N ATOM 400 CA ALA A 105 10.629 -10.098 0.898 1.00 0.00 C ATOM 401 C ALA A 105 10.713 -8.735 1.612 1.00 0.00 C ATOM 402 O ALA A 105 9.688 -8.134 1.946 1.00 0.00 O ATOM 403 CB ALA A 105 11.137 -9.999 -0.549 1.00 0.00 C ATOM 0 H ALA A 105 8.571 -9.829 0.802 1.00 0.00 H new ATOM 0 HA ALA A 105 11.252 -10.786 1.470 1.00 0.00 H new ATOM 0 HB1 ALA A 105 12.165 -9.636 -0.550 1.00 0.00 H new ATOM 0 HB2 ALA A 105 11.099 -10.983 -1.016 1.00 0.00 H new ATOM 0 HB3 ALA A 105 10.508 -9.307 -1.109 1.00 0.00 H new ATOM 409 N LYS A 106 11.932 -8.222 1.809 1.00 0.00 N ATOM 410 CA LYS A 106 12.209 -6.869 2.327 1.00 0.00 C ATOM 411 C LYS A 106 13.252 -6.164 1.462 1.00 0.00 C ATOM 412 O LYS A 106 14.250 -6.777 1.081 1.00 0.00 O ATOM 413 CB LYS A 106 12.692 -6.936 3.788 1.00 0.00 C ATOM 414 CG LYS A 106 11.589 -7.386 4.760 1.00 0.00 C ATOM 415 CD LYS A 106 12.039 -7.370 6.228 1.00 0.00 C ATOM 416 CE LYS A 106 13.138 -8.404 6.506 1.00 0.00 C ATOM 417 NZ LYS A 106 13.513 -8.424 7.942 1.00 0.00 N ATOM 0 H LYS A 106 12.782 -8.749 1.608 1.00 0.00 H new ATOM 0 HA LYS A 106 11.282 -6.297 2.291 1.00 0.00 H new ATOM 0 HB2 LYS A 106 13.534 -7.625 3.856 1.00 0.00 H new ATOM 0 HB3 LYS A 106 13.058 -5.955 4.090 1.00 0.00 H new ATOM 0 HG2 LYS A 106 10.723 -6.735 4.644 1.00 0.00 H new ATOM 0 HG3 LYS A 106 11.268 -8.393 4.495 1.00 0.00 H new ATOM 0 HD2 LYS A 106 12.404 -6.375 6.484 1.00 0.00 H new ATOM 0 HD3 LYS A 106 11.182 -7.570 6.872 1.00 0.00 H new ATOM 0 HE2 LYS A 106 12.793 -9.393 6.205 1.00 0.00 H new ATOM 0 HE3 LYS A 106 14.016 -8.175 5.902 1.00 0.00 H new ATOM 0 HZ1 LYS A 106 14.258 -9.133 8.096 1.00 0.00 H new ATOM 0 HZ2 LYS A 106 13.864 -7.486 8.222 1.00 0.00 H new ATOM 0 HZ3 LYS A 106 12.680 -8.667 8.515 1.00 0.00 H new ATOM 431 N ILE A 107 13.029 -4.885 1.158 1.00 0.00 N ATOM 432 CA ILE A 107 13.983 -4.043 0.413 1.00 0.00 C ATOM 433 C ILE A 107 15.156 -3.662 1.329 1.00 0.00 C ATOM 434 O ILE A 107 14.959 -3.346 2.501 1.00 0.00 O ATOM 435 CB ILE A 107 13.270 -2.801 -0.180 1.00 0.00 C ATOM 436 CG1 ILE A 107 12.205 -3.249 -1.212 1.00 0.00 C ATOM 437 CG2 ILE A 107 14.259 -1.832 -0.854 1.00 0.00 C ATOM 438 CD1 ILE A 107 11.176 -2.169 -1.563 1.00 0.00 C ATOM 0 H ILE A 107 12.175 -4.394 1.422 1.00 0.00 H new ATOM 0 HA ILE A 107 14.386 -4.604 -0.430 1.00 0.00 H new ATOM 0 HB ILE A 107 12.795 -2.273 0.646 1.00 0.00 H new ATOM 0 HG12 ILE A 107 12.710 -3.564 -2.125 1.00 0.00 H new ATOM 0 HG13 ILE A 107 11.681 -4.121 -0.821 1.00 0.00 H new ATOM 0 HG21 ILE A 107 13.715 -0.977 -1.255 1.00 0.00 H new ATOM 0 HG22 ILE A 107 14.987 -1.487 -0.120 1.00 0.00 H new ATOM 0 HG23 ILE A 107 14.776 -2.345 -1.665 1.00 0.00 H new ATOM 0 HD11 ILE A 107 10.468 -2.564 -2.291 1.00 0.00 H new ATOM 0 HD12 ILE A 107 10.641 -1.870 -0.662 1.00 0.00 H new ATOM 0 HD13 ILE A 107 11.686 -1.304 -1.986 1.00 0.00 H new ATOM 450 N GLU A 108 16.376 -3.648 0.792 1.00 0.00 N ATOM 451 CA GLU A 108 17.600 -3.258 1.511 1.00 0.00 C ATOM 452 C GLU A 108 18.272 -2.006 0.926 1.00 0.00 C ATOM 453 O GLU A 108 18.927 -1.262 1.661 1.00 0.00 O ATOM 454 CB GLU A 108 18.618 -4.408 1.498 1.00 0.00 C ATOM 455 CG GLU A 108 18.105 -5.683 2.175 1.00 0.00 C ATOM 456 CD GLU A 108 19.290 -6.562 2.609 1.00 0.00 C ATOM 457 OE1 GLU A 108 19.926 -7.194 1.735 1.00 0.00 O ATOM 458 OE2 GLU A 108 19.609 -6.596 3.823 1.00 0.00 O ATOM 0 H GLU A 108 16.550 -3.913 -0.177 1.00 0.00 H new ATOM 0 HA GLU A 108 17.288 -3.027 2.530 1.00 0.00 H new ATOM 0 HB2 GLU A 108 18.884 -4.636 0.466 1.00 0.00 H new ATOM 0 HB3 GLU A 108 19.530 -4.082 1.998 1.00 0.00 H new ATOM 0 HG2 GLU A 108 17.497 -5.425 3.042 1.00 0.00 H new ATOM 0 HG3 GLU A 108 17.464 -6.236 1.489 1.00 0.00 H new ATOM 465 N ALA A 109 18.098 -1.753 -0.375 1.00 0.00 N ATOM 466 CA ALA A 109 18.618 -0.576 -1.070 1.00 0.00 C ATOM 467 C ALA A 109 17.782 -0.251 -2.321 1.00 0.00 C ATOM 468 O ALA A 109 17.142 -1.129 -2.904 1.00 0.00 O ATOM 469 CB ALA A 109 20.091 -0.818 -1.434 1.00 0.00 C ATOM 0 H ALA A 109 17.577 -2.380 -0.989 1.00 0.00 H new ATOM 0 HA ALA A 109 18.549 0.288 -0.409 1.00 0.00 H new ATOM 0 HB1 ALA A 109 20.486 0.056 -1.953 1.00 0.00 H new ATOM 0 HB2 ALA A 109 20.667 -0.991 -0.525 1.00 0.00 H new ATOM 0 HB3 ALA A 109 20.167 -1.690 -2.083 1.00 0.00 H new ATOM 475 N ILE A 110 17.808 1.016 -2.739 1.00 0.00 N ATOM 476 CA ILE A 110 16.946 1.593 -3.784 1.00 0.00 C ATOM 477 C ILE A 110 17.812 2.471 -4.705 1.00 0.00 C ATOM 478 O ILE A 110 18.683 3.205 -4.225 1.00 0.00 O ATOM 479 CB ILE A 110 15.792 2.396 -3.122 1.00 0.00 C ATOM 480 CG1 ILE A 110 14.932 1.492 -2.195 1.00 0.00 C ATOM 481 CG2 ILE A 110 14.932 3.077 -4.203 1.00 0.00 C ATOM 482 CD1 ILE A 110 13.789 2.198 -1.453 1.00 0.00 C ATOM 0 H ILE A 110 18.455 1.700 -2.346 1.00 0.00 H new ATOM 0 HA ILE A 110 16.489 0.810 -4.389 1.00 0.00 H new ATOM 0 HB ILE A 110 16.229 3.172 -2.493 1.00 0.00 H new ATOM 0 HG12 ILE A 110 14.509 0.686 -2.795 1.00 0.00 H new ATOM 0 HG13 ILE A 110 15.589 1.030 -1.458 1.00 0.00 H new ATOM 0 HG21 ILE A 110 14.126 3.637 -3.728 1.00 0.00 H new ATOM 0 HG22 ILE A 110 15.552 3.758 -4.786 1.00 0.00 H new ATOM 0 HG23 ILE A 110 14.508 2.319 -4.861 1.00 0.00 H new ATOM 0 HD11 ILE A 110 13.255 1.476 -0.836 1.00 0.00 H new ATOM 0 HD12 ILE A 110 14.198 2.985 -0.819 1.00 0.00 H new ATOM 0 HD13 ILE A 110 13.101 2.636 -2.176 1.00 0.00 H new ATOM 566 N PHE A 116 16.167 -2.220 -7.385 1.00 0.00 N ATOM 567 CA PHE A 116 15.849 -2.413 -5.972 1.00 0.00 C ATOM 568 C PHE A 116 16.547 -3.688 -5.480 1.00 0.00 C ATOM 569 O PHE A 116 16.371 -4.759 -6.064 1.00 0.00 O ATOM 570 CB PHE A 116 14.325 -2.546 -5.821 1.00 0.00 C ATOM 571 CG PHE A 116 13.557 -1.240 -5.906 1.00 0.00 C ATOM 572 CD1 PHE A 116 13.323 -0.613 -7.146 1.00 0.00 C ATOM 573 CD2 PHE A 116 13.085 -0.637 -4.726 1.00 0.00 C ATOM 574 CE1 PHE A 116 12.673 0.634 -7.195 1.00 0.00 C ATOM 575 CE2 PHE A 116 12.406 0.592 -4.781 1.00 0.00 C ATOM 576 CZ PHE A 116 12.205 1.233 -6.015 1.00 0.00 C ATOM 0 HA PHE A 116 16.193 -1.565 -5.380 1.00 0.00 H new ATOM 0 HB2 PHE A 116 13.955 -3.219 -6.595 1.00 0.00 H new ATOM 0 HB3 PHE A 116 14.109 -3.015 -4.861 1.00 0.00 H new ATOM 0 HD1 PHE A 116 13.643 -1.090 -8.060 1.00 0.00 H new ATOM 0 HD2 PHE A 116 13.245 -1.121 -3.774 1.00 0.00 H new ATOM 0 HE1 PHE A 116 12.534 1.132 -8.143 1.00 0.00 H new ATOM 0 HE2 PHE A 116 12.038 1.045 -3.872 1.00 0.00 H new ATOM 0 HZ PHE A 116 11.692 2.183 -6.055 1.00 0.00 H new ATOM 586 N THR A 117 17.352 -3.584 -4.422 1.00 0.00 N ATOM 587 CA THR A 117 17.981 -4.741 -3.756 1.00 0.00 C ATOM 588 C THR A 117 17.031 -5.280 -2.692 1.00 0.00 C ATOM 589 O THR A 117 16.470 -4.501 -1.921 1.00 0.00 O ATOM 590 CB THR A 117 19.312 -4.344 -3.104 1.00 0.00 C ATOM 591 OG1 THR A 117 20.176 -3.808 -4.085 1.00 0.00 O ATOM 592 CG2 THR A 117 20.055 -5.521 -2.469 1.00 0.00 C ATOM 0 H THR A 117 17.592 -2.690 -3.994 1.00 0.00 H new ATOM 0 HA THR A 117 18.183 -5.508 -4.503 1.00 0.00 H new ATOM 0 HB THR A 117 19.058 -3.626 -2.324 1.00 0.00 H new ATOM 0 HG1 THR A 117 21.026 -3.553 -3.668 1.00 0.00 H new ATOM 0 HG21 THR A 117 20.987 -5.167 -2.027 1.00 0.00 H new ATOM 0 HG22 THR A 117 19.433 -5.969 -1.694 1.00 0.00 H new ATOM 0 HG23 THR A 117 20.276 -6.267 -3.233 1.00 0.00 H new ATOM 600 N VAL A 118 16.866 -6.601 -2.622 1.00 0.00 N ATOM 601 CA VAL A 118 15.916 -7.278 -1.724 1.00 0.00 C ATOM 602 C VAL A 118 16.533 -8.506 -1.051 1.00 0.00 C ATOM 603 O VAL A 118 17.447 -9.136 -1.588 1.00 0.00 O ATOM 604 CB VAL A 118 14.624 -7.700 -2.464 1.00 0.00 C ATOM 605 CG1 VAL A 118 13.803 -6.497 -2.938 1.00 0.00 C ATOM 606 CG2 VAL A 118 14.878 -8.613 -3.672 1.00 0.00 C ATOM 0 H VAL A 118 17.400 -7.250 -3.200 1.00 0.00 H new ATOM 0 HA VAL A 118 15.663 -6.548 -0.955 1.00 0.00 H new ATOM 0 HB VAL A 118 14.063 -8.260 -1.717 1.00 0.00 H new ATOM 0 HG11 VAL A 118 12.907 -6.847 -3.451 1.00 0.00 H new ATOM 0 HG12 VAL A 118 13.516 -5.891 -2.079 1.00 0.00 H new ATOM 0 HG13 VAL A 118 14.401 -5.895 -3.622 1.00 0.00 H new ATOM 0 HG21 VAL A 118 13.928 -8.868 -4.141 1.00 0.00 H new ATOM 0 HG22 VAL A 118 15.511 -8.095 -4.393 1.00 0.00 H new ATOM 0 HG23 VAL A 118 15.376 -9.525 -3.341 1.00 0.00 H new ATOM 616 N GLN A 119 15.967 -8.885 0.096 1.00 0.00 N ATOM 617 CA GLN A 119 16.262 -10.126 0.813 1.00 0.00 C ATOM 618 C GLN A 119 14.966 -10.917 1.038 1.00 0.00 C ATOM 619 O GLN A 119 13.957 -10.368 1.491 1.00 0.00 O ATOM 620 CB GLN A 119 16.980 -9.806 2.135 1.00 0.00 C ATOM 621 CG GLN A 119 17.426 -11.087 2.860 1.00 0.00 C ATOM 622 CD GLN A 119 18.275 -10.814 4.101 1.00 0.00 C ATOM 623 OE1 GLN A 119 17.982 -9.952 4.921 1.00 0.00 O ATOM 624 NE2 GLN A 119 19.347 -11.552 4.304 1.00 0.00 N ATOM 0 H GLN A 119 15.265 -8.315 0.568 1.00 0.00 H new ATOM 0 HA GLN A 119 16.930 -10.749 0.218 1.00 0.00 H new ATOM 0 HB2 GLN A 119 17.849 -9.179 1.936 1.00 0.00 H new ATOM 0 HB3 GLN A 119 16.315 -9.234 2.782 1.00 0.00 H new ATOM 0 HG2 GLN A 119 16.544 -11.658 3.150 1.00 0.00 H new ATOM 0 HG3 GLN A 119 17.995 -11.708 2.168 1.00 0.00 H new ATOM 0 HE21 GLN A 119 19.604 -12.274 3.631 1.00 0.00 H new ATOM 0 HE22 GLN A 119 19.920 -11.402 5.135 1.00 0.00 H new ATOM 633 N PHE A 120 14.995 -12.208 0.706 1.00 0.00 N ATOM 634 CA PHE A 120 13.865 -13.136 0.854 1.00 0.00 C ATOM 635 C PHE A 120 13.879 -13.835 2.226 1.00 0.00 C ATOM 636 O PHE A 120 14.882 -13.818 2.943 1.00 0.00 O ATOM 637 CB PHE A 120 13.915 -14.167 -0.291 1.00 0.00 C ATOM 638 CG PHE A 120 13.204 -13.770 -1.578 1.00 0.00 C ATOM 639 CD1 PHE A 120 13.256 -12.452 -2.078 1.00 0.00 C ATOM 640 CD2 PHE A 120 12.483 -14.749 -2.290 1.00 0.00 C ATOM 641 CE1 PHE A 120 12.566 -12.112 -3.255 1.00 0.00 C ATOM 642 CE2 PHE A 120 11.822 -14.415 -3.483 1.00 0.00 C ATOM 643 CZ PHE A 120 11.844 -13.092 -3.954 1.00 0.00 C ATOM 0 H PHE A 120 15.826 -12.653 0.316 1.00 0.00 H new ATOM 0 HA PHE A 120 12.934 -12.572 0.799 1.00 0.00 H new ATOM 0 HB2 PHE A 120 14.960 -14.371 -0.525 1.00 0.00 H new ATOM 0 HB3 PHE A 120 13.481 -15.100 0.068 1.00 0.00 H new ATOM 0 HD1 PHE A 120 13.828 -11.701 -1.554 1.00 0.00 H new ATOM 0 HD2 PHE A 120 12.439 -15.761 -1.916 1.00 0.00 H new ATOM 0 HE1 PHE A 120 12.592 -11.096 -3.621 1.00 0.00 H new ATOM 0 HE2 PHE A 120 11.296 -15.177 -4.039 1.00 0.00 H new ATOM 0 HZ PHE A 120 11.306 -12.829 -4.853 1.00 0.00 H new ATOM 653 N TYR A 121 12.775 -14.502 2.578 1.00 0.00 N ATOM 654 CA TYR A 121 12.631 -15.289 3.814 1.00 0.00 C ATOM 655 C TYR A 121 13.653 -16.439 3.964 1.00 0.00 C ATOM 656 O TYR A 121 13.958 -16.849 5.086 1.00 0.00 O ATOM 657 CB TYR A 121 11.188 -15.810 3.916 1.00 0.00 C ATOM 658 CG TYR A 121 10.781 -16.800 2.836 1.00 0.00 C ATOM 659 CD1 TYR A 121 10.228 -16.341 1.622 1.00 0.00 C ATOM 660 CD2 TYR A 121 10.956 -18.183 3.045 1.00 0.00 C ATOM 661 CE1 TYR A 121 9.863 -17.256 0.617 1.00 0.00 C ATOM 662 CE2 TYR A 121 10.587 -19.102 2.044 1.00 0.00 C ATOM 663 CZ TYR A 121 10.042 -18.642 0.825 1.00 0.00 C ATOM 664 OH TYR A 121 9.682 -19.533 -0.137 1.00 0.00 O ATOM 0 H TYR A 121 11.935 -14.512 2.000 1.00 0.00 H new ATOM 0 HA TYR A 121 12.851 -14.617 4.643 1.00 0.00 H new ATOM 0 HB2 TYR A 121 11.057 -16.284 4.889 1.00 0.00 H new ATOM 0 HB3 TYR A 121 10.508 -14.959 3.882 1.00 0.00 H new ATOM 0 HD1 TYR A 121 10.084 -15.282 1.463 1.00 0.00 H new ATOM 0 HD2 TYR A 121 11.374 -18.539 3.975 1.00 0.00 H new ATOM 0 HE1 TYR A 121 9.446 -16.899 -0.313 1.00 0.00 H new ATOM 0 HE2 TYR A 121 10.721 -20.161 2.209 1.00 0.00 H new ATOM 0 HH TYR A 121 9.875 -20.443 0.171 1.00 0.00 H new ATOM 674 N ASP A 122 14.224 -16.937 2.860 1.00 0.00 N ATOM 675 CA ASP A 122 15.335 -17.907 2.855 1.00 0.00 C ATOM 676 C ASP A 122 16.695 -17.304 3.283 1.00 0.00 C ATOM 677 O ASP A 122 17.646 -18.043 3.545 1.00 0.00 O ATOM 678 CB ASP A 122 15.476 -18.516 1.450 1.00 0.00 C ATOM 679 CG ASP A 122 14.328 -19.472 1.092 1.00 0.00 C ATOM 680 OD1 ASP A 122 14.151 -20.497 1.795 1.00 0.00 O ATOM 681 OD2 ASP A 122 13.639 -19.230 0.073 1.00 0.00 O ATOM 0 H ASP A 122 13.922 -16.673 1.922 1.00 0.00 H new ATOM 0 HA ASP A 122 15.082 -18.667 3.594 1.00 0.00 H new ATOM 0 HB2 ASP A 122 15.515 -17.713 0.714 1.00 0.00 H new ATOM 0 HB3 ASP A 122 16.422 -19.053 1.386 1.00 0.00 H new ATOM 686 N GLY A 123 16.809 -15.971 3.330 1.00 0.00 N ATOM 687 CA GLY A 123 18.033 -15.226 3.661 1.00 0.00 C ATOM 688 C GLY A 123 18.846 -14.770 2.440 1.00 0.00 C ATOM 689 O GLY A 123 19.703 -13.893 2.575 1.00 0.00 O ATOM 0 H GLY A 123 16.020 -15.356 3.131 1.00 0.00 H new ATOM 0 HA2 GLY A 123 17.763 -14.350 4.250 1.00 0.00 H new ATOM 0 HA3 GLY A 123 18.666 -15.851 4.291 1.00 0.00 H new ATOM 693 N VAL A 124 18.579 -15.334 1.255 1.00 0.00 N ATOM 694 CA VAL A 124 19.212 -14.970 -0.029 1.00 0.00 C ATOM 695 C VAL A 124 18.961 -13.502 -0.413 1.00 0.00 C ATOM 696 O VAL A 124 17.893 -12.950 -0.132 1.00 0.00 O ATOM 697 CB VAL A 124 18.763 -15.945 -1.142 1.00 0.00 C ATOM 698 CG1 VAL A 124 17.264 -15.868 -1.459 1.00 0.00 C ATOM 699 CG2 VAL A 124 19.551 -15.759 -2.444 1.00 0.00 C ATOM 0 H VAL A 124 17.893 -16.083 1.155 1.00 0.00 H new ATOM 0 HA VAL A 124 20.291 -15.065 0.094 1.00 0.00 H new ATOM 0 HB VAL A 124 18.975 -16.931 -0.729 1.00 0.00 H new ATOM 0 HG11 VAL A 124 17.022 -16.579 -2.249 1.00 0.00 H new ATOM 0 HG12 VAL A 124 16.690 -16.110 -0.564 1.00 0.00 H new ATOM 0 HG13 VAL A 124 17.013 -14.860 -1.790 1.00 0.00 H new ATOM 0 HG21 VAL A 124 19.194 -16.469 -3.190 1.00 0.00 H new ATOM 0 HG22 VAL A 124 19.409 -14.743 -2.813 1.00 0.00 H new ATOM 0 HG23 VAL A 124 20.611 -15.932 -2.256 1.00 0.00 H new ATOM 709 N ILE A 125 19.944 -12.880 -1.077 1.00 0.00 N ATOM 710 CA ILE A 125 19.961 -11.457 -1.455 1.00 0.00 C ATOM 711 C ILE A 125 20.256 -11.332 -2.957 1.00 0.00 C ATOM 712 O ILE A 125 21.250 -11.881 -3.446 1.00 0.00 O ATOM 713 CB ILE A 125 21.012 -10.672 -0.629 1.00 0.00 C ATOM 714 CG1 ILE A 125 20.780 -10.828 0.892 1.00 0.00 C ATOM 715 CG2 ILE A 125 20.995 -9.178 -1.017 1.00 0.00 C ATOM 716 CD1 ILE A 125 21.905 -10.249 1.759 1.00 0.00 C ATOM 0 H ILE A 125 20.784 -13.373 -1.379 1.00 0.00 H new ATOM 0 HA ILE A 125 18.983 -11.026 -1.240 1.00 0.00 H new ATOM 0 HB ILE A 125 21.990 -11.092 -0.861 1.00 0.00 H new ATOM 0 HG12 ILE A 125 19.843 -10.339 1.158 1.00 0.00 H new ATOM 0 HG13 ILE A 125 20.665 -11.887 1.125 1.00 0.00 H new ATOM 0 HG21 ILE A 125 21.738 -8.641 -0.428 1.00 0.00 H new ATOM 0 HG22 ILE A 125 21.228 -9.075 -2.077 1.00 0.00 H new ATOM 0 HG23 ILE A 125 20.007 -8.762 -0.820 1.00 0.00 H new ATOM 0 HD11 ILE A 125 21.666 -10.398 2.812 1.00 0.00 H new ATOM 0 HD12 ILE A 125 22.842 -10.754 1.524 1.00 0.00 H new ATOM 0 HD13 ILE A 125 22.007 -9.183 1.558 1.00 0.00 H new ATOM 728 N ARG A 126 19.411 -10.588 -3.679 1.00 0.00 N ATOM 729 CA ARG A 126 19.549 -10.231 -5.109 1.00 0.00 C ATOM 730 C ARG A 126 19.009 -8.815 -5.365 1.00 0.00 C ATOM 731 O ARG A 126 18.477 -8.170 -4.460 1.00 0.00 O ATOM 732 CB ARG A 126 18.799 -11.259 -5.991 1.00 0.00 C ATOM 733 CG ARG A 126 19.381 -12.686 -6.017 1.00 0.00 C ATOM 734 CD ARG A 126 20.789 -12.780 -6.621 1.00 0.00 C ATOM 735 NE ARG A 126 20.807 -12.412 -8.051 1.00 0.00 N ATOM 736 CZ ARG A 126 21.877 -12.287 -8.817 1.00 0.00 C ATOM 737 NH1 ARG A 126 23.083 -12.479 -8.362 1.00 0.00 N ATOM 738 NH2 ARG A 126 21.753 -11.965 -10.072 1.00 0.00 N ATOM 0 H ARG A 126 18.565 -10.194 -3.267 1.00 0.00 H new ATOM 0 HA ARG A 126 20.607 -10.249 -5.371 1.00 0.00 H new ATOM 0 HB2 ARG A 126 17.766 -11.316 -5.647 1.00 0.00 H new ATOM 0 HB3 ARG A 126 18.774 -10.880 -7.013 1.00 0.00 H new ATOM 0 HG2 ARG A 126 19.408 -13.074 -4.999 1.00 0.00 H new ATOM 0 HG3 ARG A 126 18.710 -13.330 -6.586 1.00 0.00 H new ATOM 0 HD2 ARG A 126 21.464 -12.124 -6.070 1.00 0.00 H new ATOM 0 HD3 ARG A 126 21.166 -13.796 -6.504 1.00 0.00 H new ATOM 0 HE ARG A 126 19.904 -12.237 -8.492 1.00 0.00 H new ATOM 0 HH11 ARG A 126 23.225 -12.735 -7.385 1.00 0.00 H new ATOM 0 HH12 ARG A 126 23.885 -12.373 -8.983 1.00 0.00 H new ATOM 0 HH21 ARG A 126 20.827 -11.808 -10.469 1.00 0.00 H new ATOM 0 HH22 ARG A 126 22.582 -11.870 -10.658 1.00 0.00 H new ATOM 752 N CYS A 127 19.103 -8.343 -6.608 1.00 0.00 N ATOM 753 CA CYS A 127 18.474 -7.101 -7.067 1.00 0.00 C ATOM 754 C CYS A 127 17.534 -7.340 -8.259 1.00 0.00 C ATOM 755 O CYS A 127 17.708 -8.278 -9.042 1.00 0.00 O ATOM 756 CB CYS A 127 19.551 -6.040 -7.356 1.00 0.00 C ATOM 757 SG CYS A 127 20.720 -6.605 -8.631 1.00 0.00 S ATOM 0 H CYS A 127 19.628 -8.821 -7.340 1.00 0.00 H new ATOM 0 HA CYS A 127 17.839 -6.716 -6.269 1.00 0.00 H new ATOM 0 HB2 CYS A 127 19.074 -5.116 -7.682 1.00 0.00 H new ATOM 0 HB3 CYS A 127 20.094 -5.812 -6.439 1.00 0.00 H new ATOM 0 HG CYS A 127 21.609 -5.681 -8.845 1.00 0.00 H new ATOM 763 N LEU A 128 16.529 -6.473 -8.377 1.00 0.00 N ATOM 764 CA LEU A 128 15.380 -6.587 -9.278 1.00 0.00 C ATOM 765 C LEU A 128 15.028 -5.223 -9.895 1.00 0.00 C ATOM 766 O LEU A 128 15.465 -4.180 -9.398 1.00 0.00 O ATOM 767 CB LEU A 128 14.175 -7.085 -8.456 1.00 0.00 C ATOM 768 CG LEU A 128 14.288 -8.473 -7.799 1.00 0.00 C ATOM 769 CD1 LEU A 128 13.055 -8.708 -6.929 1.00 0.00 C ATOM 770 CD2 LEU A 128 14.371 -9.599 -8.831 1.00 0.00 C ATOM 0 H LEU A 128 16.492 -5.623 -7.814 1.00 0.00 H new ATOM 0 HA LEU A 128 15.624 -7.279 -10.084 1.00 0.00 H new ATOM 0 HB2 LEU A 128 13.979 -6.356 -7.670 1.00 0.00 H new ATOM 0 HB3 LEU A 128 13.302 -7.092 -9.109 1.00 0.00 H new ATOM 0 HG LEU A 128 15.205 -8.486 -7.209 1.00 0.00 H new ATOM 0 HD11 LEU A 128 13.124 -9.689 -6.458 1.00 0.00 H new ATOM 0 HD12 LEU A 128 13.001 -7.939 -6.159 1.00 0.00 H new ATOM 0 HD13 LEU A 128 12.159 -8.665 -7.548 1.00 0.00 H new ATOM 0 HD21 LEU A 128 14.449 -10.558 -8.318 1.00 0.00 H new ATOM 0 HD22 LEU A 128 13.474 -9.591 -9.451 1.00 0.00 H new ATOM 0 HD23 LEU A 128 15.248 -9.452 -9.461 1.00 0.00 H new ATOM 782 N LYS A 129 14.208 -5.217 -10.952 1.00 0.00 N ATOM 783 CA LYS A 129 13.598 -3.993 -11.504 1.00 0.00 C ATOM 784 C LYS A 129 12.383 -3.570 -10.670 1.00 0.00 C ATOM 785 O LYS A 129 11.747 -4.392 -10.008 1.00 0.00 O ATOM 786 CB LYS A 129 13.171 -4.222 -12.968 1.00 0.00 C ATOM 787 CG LYS A 129 14.319 -4.580 -13.928 1.00 0.00 C ATOM 788 CD LYS A 129 15.389 -3.478 -14.011 1.00 0.00 C ATOM 789 CE LYS A 129 16.407 -3.726 -15.133 1.00 0.00 C ATOM 790 NZ LYS A 129 17.258 -4.917 -14.876 1.00 0.00 N ATOM 0 H LYS A 129 13.945 -6.065 -11.455 1.00 0.00 H new ATOM 0 HA LYS A 129 14.341 -3.197 -11.469 1.00 0.00 H new ATOM 0 HB2 LYS A 129 12.431 -5.022 -12.995 1.00 0.00 H new ATOM 0 HB3 LYS A 129 12.679 -3.321 -13.333 1.00 0.00 H new ATOM 0 HG2 LYS A 129 14.785 -5.509 -13.600 1.00 0.00 H new ATOM 0 HG3 LYS A 129 13.912 -4.761 -14.923 1.00 0.00 H new ATOM 0 HD2 LYS A 129 14.903 -2.516 -14.173 1.00 0.00 H new ATOM 0 HD3 LYS A 129 15.913 -3.413 -13.058 1.00 0.00 H new ATOM 0 HE2 LYS A 129 15.878 -3.858 -16.077 1.00 0.00 H new ATOM 0 HE3 LYS A 129 17.042 -2.847 -15.244 1.00 0.00 H new ATOM 0 HZ1 LYS A 129 17.928 -5.041 -15.662 1.00 0.00 H new ATOM 0 HZ2 LYS A 129 17.785 -4.782 -13.990 1.00 0.00 H new ATOM 0 HZ3 LYS A 129 16.657 -5.762 -14.796 1.00 0.00 H new ATOM 804 N ARG A 130 11.998 -2.295 -10.767 1.00 0.00 N ATOM 805 CA ARG A 130 10.789 -1.728 -10.130 1.00 0.00 C ATOM 806 C ARG A 130 9.472 -2.435 -10.488 1.00 0.00 C ATOM 807 O ARG A 130 8.566 -2.491 -9.659 1.00 0.00 O ATOM 808 CB ARG A 130 10.731 -0.219 -10.392 1.00 0.00 C ATOM 809 CG ARG A 130 10.693 0.193 -11.871 1.00 0.00 C ATOM 810 CD ARG A 130 10.927 1.705 -11.937 1.00 0.00 C ATOM 811 NE ARG A 130 11.168 2.175 -13.317 1.00 0.00 N ATOM 812 CZ ARG A 130 10.272 2.588 -14.195 1.00 0.00 C ATOM 813 NH1 ARG A 130 8.994 2.618 -13.936 1.00 0.00 N ATOM 814 NH2 ARG A 130 10.651 2.986 -15.375 1.00 0.00 N ATOM 0 H ARG A 130 12.526 -1.605 -11.302 1.00 0.00 H new ATOM 0 HA ARG A 130 10.888 -1.909 -9.060 1.00 0.00 H new ATOM 0 HB2 ARG A 130 9.847 0.185 -9.897 1.00 0.00 H new ATOM 0 HB3 ARG A 130 11.599 0.247 -9.925 1.00 0.00 H new ATOM 0 HG2 ARG A 130 11.459 -0.338 -12.436 1.00 0.00 H new ATOM 0 HG3 ARG A 130 9.732 -0.065 -12.316 1.00 0.00 H new ATOM 0 HD2 ARG A 130 10.061 2.223 -11.525 1.00 0.00 H new ATOM 0 HD3 ARG A 130 11.781 1.966 -11.312 1.00 0.00 H new ATOM 0 HE ARG A 130 12.140 2.181 -13.628 1.00 0.00 H new ATOM 0 HH11 ARG A 130 8.651 2.315 -13.025 1.00 0.00 H new ATOM 0 HH12 ARG A 130 8.338 2.945 -14.645 1.00 0.00 H new ATOM 0 HH21 ARG A 130 11.641 2.979 -15.622 1.00 0.00 H new ATOM 0 HH22 ARG A 130 9.958 3.305 -16.053 1.00 0.00 H new ATOM 828 N MET A 131 9.382 -3.023 -11.685 1.00 0.00 N ATOM 829 CA MET A 131 8.224 -3.814 -12.140 1.00 0.00 C ATOM 830 C MET A 131 8.086 -5.175 -11.427 1.00 0.00 C ATOM 831 O MET A 131 6.999 -5.759 -11.396 1.00 0.00 O ATOM 832 CB MET A 131 8.315 -4.046 -13.658 1.00 0.00 C ATOM 833 CG MET A 131 8.342 -2.749 -14.480 1.00 0.00 C ATOM 834 SD MET A 131 6.902 -1.664 -14.259 1.00 0.00 S ATOM 835 CE MET A 131 7.341 -0.352 -15.431 1.00 0.00 C ATOM 0 H MET A 131 10.124 -2.964 -12.382 1.00 0.00 H new ATOM 0 HA MET A 131 7.338 -3.232 -11.887 1.00 0.00 H new ATOM 0 HB2 MET A 131 9.214 -4.622 -13.875 1.00 0.00 H new ATOM 0 HB3 MET A 131 7.465 -4.650 -13.976 1.00 0.00 H new ATOM 0 HG2 MET A 131 9.241 -2.191 -14.219 1.00 0.00 H new ATOM 0 HG3 MET A 131 8.423 -3.008 -15.536 1.00 0.00 H new ATOM 0 HE1 MET A 131 6.563 0.411 -15.431 1.00 0.00 H new ATOM 0 HE2 MET A 131 8.290 0.097 -15.136 1.00 0.00 H new ATOM 0 HE3 MET A 131 7.435 -0.774 -16.432 1.00 0.00 H new ATOM 845 N HIS A 132 9.172 -5.689 -10.841 1.00 0.00 N ATOM 846 CA HIS A 132 9.217 -6.988 -10.153 1.00 0.00 C ATOM 847 C HIS A 132 8.788 -6.918 -8.678 1.00 0.00 C ATOM 848 O HIS A 132 8.875 -7.929 -7.983 1.00 0.00 O ATOM 849 CB HIS A 132 10.641 -7.559 -10.240 1.00 0.00 C ATOM 850 CG HIS A 132 11.208 -7.741 -11.629 1.00 0.00 C ATOM 851 ND1 HIS A 132 12.568 -7.681 -11.952 1.00 0.00 N ATOM 852 CD2 HIS A 132 10.501 -8.045 -12.758 1.00 0.00 C ATOM 853 CE1 HIS A 132 12.647 -7.943 -13.268 1.00 0.00 C ATOM 854 NE2 HIS A 132 11.422 -8.159 -13.777 1.00 0.00 N ATOM 0 H HIS A 132 10.068 -5.202 -10.830 1.00 0.00 H new ATOM 0 HA HIS A 132 8.500 -7.635 -10.658 1.00 0.00 H new ATOM 0 HB2 HIS A 132 11.308 -6.901 -9.682 1.00 0.00 H new ATOM 0 HB3 HIS A 132 10.653 -8.526 -9.737 1.00 0.00 H new ATOM 0 HD2 HIS A 132 9.431 -8.171 -12.836 1.00 0.00 H new ATOM 0 HE1 HIS A 132 13.565 -7.975 -13.836 1.00 0.00 H new ATOM 0 HE2 HIS A 132 11.210 -8.371 -14.752 1.00 0.00 H new ATOM 862 N ILE A 133 8.335 -5.760 -8.180 1.00 0.00 N ATOM 863 CA ILE A 133 8.011 -5.535 -6.760 1.00 0.00 C ATOM 864 C ILE A 133 6.635 -4.862 -6.621 1.00 0.00 C ATOM 865 O ILE A 133 6.278 -3.971 -7.397 1.00 0.00 O ATOM 866 CB ILE A 133 9.125 -4.720 -6.050 1.00 0.00 C ATOM 867 CG1 ILE A 133 10.522 -5.337 -6.318 1.00 0.00 C ATOM 868 CG2 ILE A 133 8.843 -4.634 -4.536 1.00 0.00 C ATOM 869 CD1 ILE A 133 11.676 -4.720 -5.522 1.00 0.00 C ATOM 0 H ILE A 133 8.180 -4.936 -8.761 1.00 0.00 H new ATOM 0 HA ILE A 133 7.960 -6.504 -6.263 1.00 0.00 H new ATOM 0 HB ILE A 133 9.124 -3.710 -6.459 1.00 0.00 H new ATOM 0 HG12 ILE A 133 10.478 -6.403 -6.095 1.00 0.00 H new ATOM 0 HG13 ILE A 133 10.745 -5.242 -7.381 1.00 0.00 H new ATOM 0 HG21 ILE A 133 9.632 -4.060 -4.051 1.00 0.00 H new ATOM 0 HG22 ILE A 133 7.884 -4.143 -4.372 1.00 0.00 H new ATOM 0 HG23 ILE A 133 8.813 -5.638 -4.114 1.00 0.00 H new ATOM 0 HD11 ILE A 133 12.607 -5.222 -5.783 1.00 0.00 H new ATOM 0 HD12 ILE A 133 11.757 -3.660 -5.761 1.00 0.00 H new ATOM 0 HD13 ILE A 133 11.486 -4.838 -4.455 1.00 0.00 H new ATOM 881 N LYS A 134 5.867 -5.295 -5.614 1.00 0.00 N ATOM 882 CA LYS A 134 4.504 -4.847 -5.284 1.00 0.00 C ATOM 883 C LYS A 134 4.341 -4.668 -3.771 1.00 0.00 C ATOM 884 O LYS A 134 4.997 -5.343 -2.976 1.00 0.00 O ATOM 885 CB LYS A 134 3.485 -5.897 -5.766 1.00 0.00 C ATOM 886 CG LYS A 134 3.430 -6.094 -7.292 1.00 0.00 C ATOM 887 CD LYS A 134 2.587 -7.318 -7.692 1.00 0.00 C ATOM 888 CE LYS A 134 1.139 -7.303 -7.176 1.00 0.00 C ATOM 889 NZ LYS A 134 0.332 -6.215 -7.790 1.00 0.00 N ATOM 0 H LYS A 134 6.198 -6.011 -4.967 1.00 0.00 H new ATOM 0 HA LYS A 134 4.330 -3.892 -5.779 1.00 0.00 H new ATOM 0 HB2 LYS A 134 3.722 -6.853 -5.299 1.00 0.00 H new ATOM 0 HB3 LYS A 134 2.494 -5.608 -5.416 1.00 0.00 H new ATOM 0 HG2 LYS A 134 3.013 -5.201 -7.757 1.00 0.00 H new ATOM 0 HG3 LYS A 134 4.443 -6.211 -7.678 1.00 0.00 H new ATOM 0 HD2 LYS A 134 2.569 -7.389 -8.780 1.00 0.00 H new ATOM 0 HD3 LYS A 134 3.080 -8.217 -7.322 1.00 0.00 H new ATOM 0 HE2 LYS A 134 0.670 -8.264 -7.388 1.00 0.00 H new ATOM 0 HE3 LYS A 134 1.143 -7.182 -6.093 1.00 0.00 H new ATOM 0 HZ1 LYS A 134 -0.636 -6.245 -7.412 1.00 0.00 H new ATOM 0 HZ2 LYS A 134 0.763 -5.295 -7.567 1.00 0.00 H new ATOM 0 HZ3 LYS A 134 0.304 -6.343 -8.822 1.00 0.00 H new ATOM 903 N ALA A 135 3.428 -3.788 -3.370 1.00 0.00 N ATOM 904 CA ALA A 135 2.990 -3.669 -1.978 1.00 0.00 C ATOM 905 C ALA A 135 2.133 -4.886 -1.554 1.00 0.00 C ATOM 906 O ALA A 135 1.642 -5.644 -2.397 1.00 0.00 O ATOM 907 CB ALA A 135 2.214 -2.354 -1.831 1.00 0.00 C ATOM 0 H ALA A 135 2.968 -3.133 -4.002 1.00 0.00 H new ATOM 0 HA ALA A 135 3.856 -3.657 -1.316 1.00 0.00 H new ATOM 0 HB1 ALA A 135 1.877 -2.244 -0.800 1.00 0.00 H new ATOM 0 HB2 ALA A 135 2.862 -1.518 -2.092 1.00 0.00 H new ATOM 0 HB3 ALA A 135 1.350 -2.365 -2.496 1.00 0.00 H new ATOM 913 N MET A 136 1.917 -5.054 -0.245 1.00 0.00 N ATOM 914 CA MET A 136 0.968 -6.042 0.295 1.00 0.00 C ATOM 915 C MET A 136 -0.469 -5.809 -0.228 1.00 0.00 C ATOM 916 O MET A 136 -0.861 -4.656 -0.446 1.00 0.00 O ATOM 917 CB MET A 136 0.991 -6.028 1.836 1.00 0.00 C ATOM 918 CG MET A 136 1.997 -7.034 2.406 1.00 0.00 C ATOM 919 SD MET A 136 3.737 -6.767 1.963 1.00 0.00 S ATOM 920 CE MET A 136 4.424 -8.323 2.589 1.00 0.00 C ATOM 0 H MET A 136 2.394 -4.510 0.473 1.00 0.00 H new ATOM 0 HA MET A 136 1.287 -7.024 -0.054 1.00 0.00 H new ATOM 0 HB2 MET A 136 1.243 -5.027 2.185 1.00 0.00 H new ATOM 0 HB3 MET A 136 -0.005 -6.257 2.215 1.00 0.00 H new ATOM 0 HG2 MET A 136 1.915 -7.022 3.493 1.00 0.00 H new ATOM 0 HG3 MET A 136 1.709 -8.032 2.075 1.00 0.00 H new ATOM 0 HE1 MET A 136 5.498 -8.346 2.406 1.00 0.00 H new ATOM 0 HE2 MET A 136 4.237 -8.399 3.660 1.00 0.00 H new ATOM 0 HE3 MET A 136 3.951 -9.161 2.078 1.00 0.00 H new