USER MOD reduce.3.24.130724 H: found=0, std=0, add=611, rem=0, adj=19 USER MOD reduce.3.24.130724 removed 611 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 74 ASN :FLIP amide:sc= -0.438 F(o=-4.7,f=-1.1) USER MOD Set 1.2: A 93 SER OG : rot -77:sc= -0.645 USER MOD Single : A 13 HIS : no HD1:sc=-0.000434 X(o=-0.00043,f=0) USER MOD Single : A 14 THR OG1 : rot 180:sc= 0 USER MOD Single : A 16 THR OG1 : rot 180:sc= 0 USER MOD Single : A 17 THR OG1 : rot 180:sc= -0.116 USER MOD Single : A 22 THR OG1 : rot 180:sc= -0.306 USER MOD Single : A 27 THR OG1 : rot 180:sc= 0.0388 USER MOD Single : A 32 GLN : amide:sc= -0.0106 X(o=-0.011,f=0) USER MOD Single : A 34 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 50 SER OG : rot 180:sc= 0 USER MOD Single : A 51 TYR OH : rot 180:sc= 0 USER MOD Single : A 56 SER OG : rot 133:sc= 0.441 USER MOD Single : A 61 CYS SG : rot 180:sc= 0.00827 USER MOD Single : A 65 GLN : amide:sc= -0.292 K(o=-0.29,f=-2!) USER MOD Single : A 71 MET CE :methyl 155:sc=-0.00574 (180deg=-0.356) USER MOD Single : A 78 THR OG1 : rot 39:sc= -1.46 USER MOD Single : A 81 SER OG : rot 180:sc= 0.115 USER MOD Single : A 82 THR OG1 : rot 180:sc= 0 USER MOD Single : A 87 ASN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 88 GLN : amide:sc= -0.352 X(o=-0.35,f=-0.23) USER MOD Single : A 94 SER OG : rot 180:sc= 0 USER MOD Single : A 96 THR OG1 : rot -22:sc= 0.545 USER MOD Single : A 97 SER OG : rot 180:sc= 0 USER MOD Single : A 98 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 100 THR OG1 : rot 180:sc= 0 USER MOD ----------------------------------------------------------------- ATOM 132 N HIS A 13 13.184 -11.998 -2.053 1.00 0.00 N ATOM 133 CA HIS A 13 12.848 -11.205 -0.883 1.00 0.00 C ATOM 134 C HIS A 13 12.021 -9.990 -1.307 1.00 0.00 C ATOM 135 O HIS A 13 11.943 -9.670 -2.492 1.00 0.00 O ATOM 136 CB HIS A 13 14.110 -10.822 -0.107 1.00 0.00 C ATOM 137 CG HIS A 13 15.012 -9.858 -0.839 1.00 0.00 C ATOM 138 ND1 HIS A 13 16.046 -10.275 -1.660 1.00 0.00 N ATOM 139 CD2 HIS A 13 15.025 -8.494 -0.867 1.00 0.00 C ATOM 140 CE1 HIS A 13 16.647 -9.202 -2.153 1.00 0.00 C ATOM 141 NE2 HIS A 13 16.014 -8.100 -1.660 1.00 0.00 N ATOM 0 HA HIS A 13 12.237 -11.796 -0.201 1.00 0.00 H new ATOM 0 HB2 HIS A 13 13.818 -10.379 0.845 1.00 0.00 H new ATOM 0 HB3 HIS A 13 14.672 -11.727 0.122 1.00 0.00 H new ATOM 0 HD2 HIS A 13 14.346 -7.845 -0.334 1.00 0.00 H new ATOM 0 HE1 HIS A 13 17.491 -9.201 -2.827 1.00 0.00 H new ATOM 0 HE2 HIS A 13 16.260 -7.132 -1.866 1.00 0.00 H new ATOM 149 N THR A 14 11.423 -9.346 -0.315 1.00 0.00 N ATOM 150 CA THR A 14 10.604 -8.173 -0.570 1.00 0.00 C ATOM 151 C THR A 14 10.966 -7.049 0.402 1.00 0.00 C ATOM 152 O THR A 14 11.187 -7.295 1.587 1.00 0.00 O ATOM 153 CB THR A 14 9.136 -8.596 -0.491 1.00 0.00 C ATOM 154 OG1 THR A 14 9.133 -9.670 0.445 1.00 0.00 O ATOM 155 CG2 THR A 14 8.639 -9.233 -1.791 1.00 0.00 C ATOM 0 H THR A 14 11.489 -9.614 0.667 1.00 0.00 H new ATOM 0 HA THR A 14 10.788 -7.770 -1.566 1.00 0.00 H new ATOM 0 HB THR A 14 8.521 -7.728 -0.254 1.00 0.00 H new ATOM 0 HG1 THR A 14 8.218 -10.003 0.557 1.00 0.00 H new ATOM 0 HG21 THR A 14 7.592 -9.515 -1.681 1.00 0.00 H new ATOM 0 HG22 THR A 14 8.739 -8.518 -2.608 1.00 0.00 H new ATOM 0 HG23 THR A 14 9.232 -10.120 -2.011 1.00 0.00 H new ATOM 163 N GLU A 15 11.014 -5.839 -0.134 1.00 0.00 N ATOM 164 CA GLU A 15 11.345 -4.675 0.671 1.00 0.00 C ATOM 165 C GLU A 15 10.100 -3.815 0.898 1.00 0.00 C ATOM 166 O GLU A 15 8.996 -4.203 0.519 1.00 0.00 O ATOM 167 CB GLU A 15 12.464 -3.859 0.022 1.00 0.00 C ATOM 168 CG GLU A 15 13.817 -4.176 0.663 1.00 0.00 C ATOM 169 CD GLU A 15 14.172 -3.141 1.733 1.00 0.00 C ATOM 170 OE1 GLU A 15 13.716 -3.332 2.881 1.00 0.00 O ATOM 171 OE2 GLU A 15 14.891 -2.182 1.378 1.00 0.00 O ATOM 0 H GLU A 15 10.829 -5.639 -1.117 1.00 0.00 H new ATOM 0 HA GLU A 15 11.707 -5.019 1.640 1.00 0.00 H new ATOM 0 HB2 GLU A 15 12.504 -4.075 -1.046 1.00 0.00 H new ATOM 0 HB3 GLU A 15 12.249 -2.795 0.124 1.00 0.00 H new ATOM 0 HG2 GLU A 15 13.788 -5.170 1.109 1.00 0.00 H new ATOM 0 HG3 GLU A 15 14.592 -4.193 -0.103 1.00 0.00 H new ATOM 178 N THR A 16 10.320 -2.664 1.516 1.00 0.00 N ATOM 179 CA THR A 16 9.230 -1.746 1.798 1.00 0.00 C ATOM 180 C THR A 16 9.653 -0.307 1.496 1.00 0.00 C ATOM 181 O THR A 16 10.825 0.040 1.627 1.00 0.00 O ATOM 182 CB THR A 16 8.795 -1.960 3.249 1.00 0.00 C ATOM 183 OG1 THR A 16 9.999 -2.314 3.923 1.00 0.00 O ATOM 184 CG2 THR A 16 7.898 -3.188 3.417 1.00 0.00 C ATOM 0 H THR A 16 11.237 -2.346 1.829 1.00 0.00 H new ATOM 0 HA THR A 16 8.372 -1.941 1.154 1.00 0.00 H new ATOM 0 HB THR A 16 8.267 -1.075 3.604 1.00 0.00 H new ATOM 0 HG1 THR A 16 9.809 -2.469 4.872 1.00 0.00 H new ATOM 0 HG21 THR A 16 7.618 -3.294 4.465 1.00 0.00 H new ATOM 0 HG22 THR A 16 6.999 -3.068 2.812 1.00 0.00 H new ATOM 0 HG23 THR A 16 8.436 -4.079 3.094 1.00 0.00 H new ATOM 192 N THR A 17 8.674 0.492 1.098 1.00 0.00 N ATOM 193 CA THR A 17 8.930 1.886 0.776 1.00 0.00 C ATOM 194 C THR A 17 8.065 2.801 1.645 1.00 0.00 C ATOM 195 O THR A 17 7.029 2.380 2.158 1.00 0.00 O ATOM 196 CB THR A 17 8.698 2.076 -0.724 1.00 0.00 C ATOM 197 OG1 THR A 17 8.805 3.483 -0.917 1.00 0.00 O ATOM 198 CG2 THR A 17 7.262 1.751 -1.140 1.00 0.00 C ATOM 0 H THR A 17 7.702 0.201 0.991 1.00 0.00 H new ATOM 0 HA THR A 17 9.962 2.160 0.997 1.00 0.00 H new ATOM 0 HB THR A 17 9.389 1.443 -1.281 1.00 0.00 H new ATOM 0 HG1 THR A 17 8.669 3.695 -1.864 1.00 0.00 H new ATOM 0 HG21 THR A 17 7.151 1.902 -2.214 1.00 0.00 H new ATOM 0 HG22 THR A 17 7.038 0.713 -0.895 1.00 0.00 H new ATOM 0 HG23 THR A 17 6.572 2.406 -0.608 1.00 0.00 H new ATOM 206 N GLU A 18 8.521 4.037 1.783 1.00 0.00 N ATOM 207 CA GLU A 18 7.802 5.016 2.581 1.00 0.00 C ATOM 208 C GLU A 18 7.189 6.089 1.679 1.00 0.00 C ATOM 209 O GLU A 18 7.910 6.828 1.010 1.00 0.00 O ATOM 210 CB GLU A 18 8.717 5.643 3.636 1.00 0.00 C ATOM 211 CG GLU A 18 8.110 6.932 4.192 1.00 0.00 C ATOM 212 CD GLU A 18 9.006 7.538 5.274 1.00 0.00 C ATOM 213 OE1 GLU A 18 10.007 8.179 4.889 1.00 0.00 O ATOM 214 OE2 GLU A 18 8.669 7.346 6.462 1.00 0.00 O ATOM 0 H GLU A 18 9.380 4.383 1.356 1.00 0.00 H new ATOM 0 HA GLU A 18 6.994 4.505 3.106 1.00 0.00 H new ATOM 0 HB2 GLU A 18 8.881 4.934 4.448 1.00 0.00 H new ATOM 0 HB3 GLU A 18 9.692 5.856 3.197 1.00 0.00 H new ATOM 0 HG2 GLU A 18 7.972 7.651 3.384 1.00 0.00 H new ATOM 0 HG3 GLU A 18 7.123 6.724 4.606 1.00 0.00 H new ATOM 221 N VAL A 19 5.866 6.141 1.691 1.00 0.00 N ATOM 222 CA VAL A 19 5.148 7.112 0.882 1.00 0.00 C ATOM 223 C VAL A 19 4.667 8.257 1.775 1.00 0.00 C ATOM 224 O VAL A 19 4.165 8.025 2.873 1.00 0.00 O ATOM 225 CB VAL A 19 4.008 6.424 0.128 1.00 0.00 C ATOM 226 CG1 VAL A 19 3.459 7.326 -0.979 1.00 0.00 C ATOM 227 CG2 VAL A 19 4.460 5.076 -0.437 1.00 0.00 C ATOM 0 H VAL A 19 5.272 5.527 2.248 1.00 0.00 H new ATOM 0 HA VAL A 19 5.807 7.542 0.128 1.00 0.00 H new ATOM 0 HB VAL A 19 3.202 6.237 0.838 1.00 0.00 H new ATOM 0 HG11 VAL A 19 2.650 6.813 -1.499 1.00 0.00 H new ATOM 0 HG12 VAL A 19 3.081 8.250 -0.541 1.00 0.00 H new ATOM 0 HG13 VAL A 19 4.255 7.559 -1.687 1.00 0.00 H new ATOM 0 HG21 VAL A 19 3.631 4.608 -0.968 1.00 0.00 H new ATOM 0 HG22 VAL A 19 5.291 5.230 -1.125 1.00 0.00 H new ATOM 0 HG23 VAL A 19 4.780 4.428 0.379 1.00 0.00 H new ATOM 237 N VAL A 20 4.839 9.470 1.271 1.00 0.00 N ATOM 238 CA VAL A 20 4.430 10.653 2.009 1.00 0.00 C ATOM 239 C VAL A 20 3.445 11.462 1.162 1.00 0.00 C ATOM 240 O VAL A 20 3.814 11.999 0.118 1.00 0.00 O ATOM 241 CB VAL A 20 5.660 11.460 2.429 1.00 0.00 C ATOM 242 CG1 VAL A 20 5.253 12.804 3.036 1.00 0.00 C ATOM 243 CG2 VAL A 20 6.534 10.662 3.399 1.00 0.00 C ATOM 0 H VAL A 20 5.256 9.659 0.360 1.00 0.00 H new ATOM 0 HA VAL A 20 3.915 10.371 2.927 1.00 0.00 H new ATOM 0 HB VAL A 20 6.250 11.662 1.535 1.00 0.00 H new ATOM 0 HG11 VAL A 20 6.146 13.358 3.326 1.00 0.00 H new ATOM 0 HG12 VAL A 20 4.692 13.380 2.301 1.00 0.00 H new ATOM 0 HG13 VAL A 20 4.631 12.633 3.915 1.00 0.00 H new ATOM 0 HG21 VAL A 20 7.401 11.258 3.682 1.00 0.00 H new ATOM 0 HG22 VAL A 20 5.957 10.415 4.290 1.00 0.00 H new ATOM 0 HG23 VAL A 20 6.867 9.743 2.917 1.00 0.00 H new ATOM 253 N LEU A 21 2.212 11.524 1.643 1.00 0.00 N ATOM 254 CA LEU A 21 1.172 12.258 0.943 1.00 0.00 C ATOM 255 C LEU A 21 0.725 13.443 1.801 1.00 0.00 C ATOM 256 O LEU A 21 0.507 13.296 3.003 1.00 0.00 O ATOM 257 CB LEU A 21 0.030 11.321 0.545 1.00 0.00 C ATOM 258 CG LEU A 21 0.430 10.077 -0.250 1.00 0.00 C ATOM 259 CD1 LEU A 21 -0.663 9.008 -0.182 1.00 0.00 C ATOM 260 CD2 LEU A 21 0.788 10.439 -1.693 1.00 0.00 C ATOM 0 H LEU A 21 1.910 11.078 2.509 1.00 0.00 H new ATOM 0 HA LEU A 21 1.557 12.667 0.009 1.00 0.00 H new ATOM 0 HB2 LEU A 21 -0.482 10.999 1.452 1.00 0.00 H new ATOM 0 HB3 LEU A 21 -0.691 11.888 -0.044 1.00 0.00 H new ATOM 0 HG LEU A 21 1.324 9.653 0.207 1.00 0.00 H new ATOM 0 HD11 LEU A 21 -0.353 8.134 -0.755 1.00 0.00 H new ATOM 0 HD12 LEU A 21 -0.827 8.721 0.857 1.00 0.00 H new ATOM 0 HD13 LEU A 21 -1.588 9.406 -0.599 1.00 0.00 H new ATOM 0 HD21 LEU A 21 1.069 9.536 -2.236 1.00 0.00 H new ATOM 0 HD22 LEU A 21 -0.073 10.900 -2.177 1.00 0.00 H new ATOM 0 HD23 LEU A 21 1.624 11.139 -1.696 1.00 0.00 H new ATOM 272 N THR A 22 0.600 14.591 1.151 1.00 0.00 N ATOM 273 CA THR A 22 0.183 15.800 1.840 1.00 0.00 C ATOM 274 C THR A 22 -1.313 16.044 1.630 1.00 0.00 C ATOM 275 O THR A 22 -1.739 16.401 0.533 1.00 0.00 O ATOM 276 CB THR A 22 1.061 16.952 1.348 1.00 0.00 C ATOM 277 OG1 THR A 22 2.384 16.424 1.393 1.00 0.00 O ATOM 278 CG2 THR A 22 1.094 18.124 2.330 1.00 0.00 C ATOM 0 H THR A 22 0.780 14.709 0.154 1.00 0.00 H new ATOM 0 HA THR A 22 0.318 15.707 2.918 1.00 0.00 H new ATOM 0 HB THR A 22 0.696 17.299 0.381 1.00 0.00 H new ATOM 0 HG1 THR A 22 3.019 17.106 1.088 1.00 0.00 H new ATOM 0 HG21 THR A 22 1.731 18.914 1.932 1.00 0.00 H new ATOM 0 HG22 THR A 22 0.084 18.509 2.471 1.00 0.00 H new ATOM 0 HG23 THR A 22 1.490 17.786 3.287 1.00 0.00 H new ATOM 286 N ALA A 23 -2.069 15.841 2.699 1.00 0.00 N ATOM 287 CA ALA A 23 -3.508 16.034 2.646 1.00 0.00 C ATOM 288 C ALA A 23 -3.818 17.310 1.859 1.00 0.00 C ATOM 289 O ALA A 23 -3.724 18.412 2.396 1.00 0.00 O ATOM 290 CB ALA A 23 -4.071 16.074 4.068 1.00 0.00 C ATOM 0 H ALA A 23 -1.712 15.545 3.607 1.00 0.00 H new ATOM 0 HA ALA A 23 -3.988 15.203 2.129 1.00 0.00 H new ATOM 0 HB1 ALA A 23 -5.151 16.219 4.028 1.00 0.00 H new ATOM 0 HB2 ALA A 23 -3.849 15.134 4.574 1.00 0.00 H new ATOM 0 HB3 ALA A 23 -3.615 16.898 4.617 1.00 0.00 H new ATOM 296 N ASP A 24 -4.181 17.117 0.600 1.00 0.00 N ATOM 297 CA ASP A 24 -4.505 18.238 -0.266 1.00 0.00 C ATOM 298 C ASP A 24 -5.533 19.133 0.430 1.00 0.00 C ATOM 299 O ASP A 24 -6.074 18.768 1.473 1.00 0.00 O ATOM 300 CB ASP A 24 -5.113 17.757 -1.585 1.00 0.00 C ATOM 301 CG ASP A 24 -4.350 18.183 -2.841 1.00 0.00 C ATOM 302 OD1 ASP A 24 -3.139 18.461 -2.703 1.00 0.00 O ATOM 303 OD2 ASP A 24 -4.995 18.222 -3.911 1.00 0.00 O ATOM 0 H ASP A 24 -4.258 16.201 0.158 1.00 0.00 H new ATOM 0 HA ASP A 24 -3.584 18.783 -0.471 1.00 0.00 H new ATOM 0 HB2 ASP A 24 -5.172 16.669 -1.565 1.00 0.00 H new ATOM 0 HB3 ASP A 24 -6.135 18.130 -1.654 1.00 0.00 H new ATOM 308 N PRO A 25 -5.778 20.318 -0.191 1.00 0.00 N ATOM 309 CA PRO A 25 -6.731 21.267 0.357 1.00 0.00 C ATOM 310 C PRO A 25 -8.168 20.804 0.114 1.00 0.00 C ATOM 311 O PRO A 25 -9.104 21.328 0.717 1.00 0.00 O ATOM 312 CB PRO A 25 -6.409 22.587 -0.326 1.00 0.00 C ATOM 313 CG PRO A 25 -5.602 22.229 -1.564 1.00 0.00 C ATOM 314 CD PRO A 25 -5.156 20.783 -1.427 1.00 0.00 C ATOM 0 HA PRO A 25 -6.652 21.364 1.440 1.00 0.00 H new ATOM 0 HB2 PRO A 25 -7.321 23.120 -0.595 1.00 0.00 H new ATOM 0 HB3 PRO A 25 -5.840 23.241 0.335 1.00 0.00 H new ATOM 0 HG2 PRO A 25 -6.204 22.359 -2.463 1.00 0.00 H new ATOM 0 HG3 PRO A 25 -4.739 22.887 -1.661 1.00 0.00 H new ATOM 0 HD2 PRO A 25 -5.478 20.187 -2.281 1.00 0.00 H new ATOM 0 HD3 PRO A 25 -4.070 20.707 -1.377 1.00 0.00 H new ATOM 322 N VAL A 26 -8.299 19.826 -0.771 1.00 0.00 N ATOM 323 CA VAL A 26 -9.607 19.286 -1.101 1.00 0.00 C ATOM 324 C VAL A 26 -9.555 17.758 -1.033 1.00 0.00 C ATOM 325 O VAL A 26 -10.262 17.144 -0.235 1.00 0.00 O ATOM 326 CB VAL A 26 -10.060 19.809 -2.465 1.00 0.00 C ATOM 327 CG1 VAL A 26 -11.160 18.923 -3.054 1.00 0.00 C ATOM 328 CG2 VAL A 26 -10.521 21.265 -2.370 1.00 0.00 C ATOM 0 H VAL A 26 -7.521 19.394 -1.269 1.00 0.00 H new ATOM 0 HA VAL A 26 -10.351 19.618 -0.377 1.00 0.00 H new ATOM 0 HB VAL A 26 -9.204 19.773 -3.138 1.00 0.00 H new ATOM 0 HG11 VAL A 26 -11.464 19.317 -4.024 1.00 0.00 H new ATOM 0 HG12 VAL A 26 -10.783 17.908 -3.177 1.00 0.00 H new ATOM 0 HG13 VAL A 26 -12.018 18.912 -2.381 1.00 0.00 H new ATOM 0 HG21 VAL A 26 -10.838 21.611 -3.354 1.00 0.00 H new ATOM 0 HG22 VAL A 26 -11.356 21.337 -1.674 1.00 0.00 H new ATOM 0 HG23 VAL A 26 -9.698 21.885 -2.015 1.00 0.00 H new ATOM 338 N THR A 27 -8.712 17.189 -1.881 1.00 0.00 N ATOM 339 CA THR A 27 -8.558 15.744 -1.928 1.00 0.00 C ATOM 340 C THR A 27 -7.370 15.306 -1.069 1.00 0.00 C ATOM 341 O THR A 27 -6.357 14.846 -1.593 1.00 0.00 O ATOM 342 CB THR A 27 -8.433 15.329 -3.395 1.00 0.00 C ATOM 343 OG1 THR A 27 -7.455 16.220 -3.926 1.00 0.00 O ATOM 344 CG2 THR A 27 -9.696 15.640 -4.201 1.00 0.00 C ATOM 0 H THR A 27 -8.128 17.702 -2.542 1.00 0.00 H new ATOM 0 HA THR A 27 -9.427 15.240 -1.506 1.00 0.00 H new ATOM 0 HB THR A 27 -8.218 14.262 -3.453 1.00 0.00 H new ATOM 0 HG1 THR A 27 -7.311 16.020 -4.874 1.00 0.00 H new ATOM 0 HG21 THR A 27 -9.554 15.326 -5.235 1.00 0.00 H new ATOM 0 HG22 THR A 27 -10.543 15.104 -3.772 1.00 0.00 H new ATOM 0 HG23 THR A 27 -9.892 16.712 -4.171 1.00 0.00 H new ATOM 352 N GLY A 28 -7.534 15.465 0.236 1.00 0.00 N ATOM 353 CA GLY A 28 -6.488 15.092 1.173 1.00 0.00 C ATOM 354 C GLY A 28 -5.548 14.052 0.559 1.00 0.00 C ATOM 355 O GLY A 28 -4.553 14.406 -0.071 1.00 0.00 O ATOM 0 H GLY A 28 -8.376 15.847 0.667 1.00 0.00 H new ATOM 0 HA2 GLY A 28 -5.920 15.977 1.460 1.00 0.00 H new ATOM 0 HA3 GLY A 28 -6.935 14.691 2.083 1.00 0.00 H new ATOM 359 N PHE A 29 -5.897 12.791 0.765 1.00 0.00 N ATOM 360 CA PHE A 29 -5.097 11.698 0.240 1.00 0.00 C ATOM 361 C PHE A 29 -5.879 10.900 -0.806 1.00 0.00 C ATOM 362 O PHE A 29 -5.287 10.205 -1.630 1.00 0.00 O ATOM 363 CB PHE A 29 -4.764 10.781 1.419 1.00 0.00 C ATOM 364 CG PHE A 29 -4.301 11.525 2.674 1.00 0.00 C ATOM 365 CD1 PHE A 29 -3.073 12.108 2.704 1.00 0.00 C ATOM 366 CD2 PHE A 29 -5.118 11.602 3.758 1.00 0.00 C ATOM 367 CE1 PHE A 29 -2.644 12.798 3.869 1.00 0.00 C ATOM 368 CE2 PHE A 29 -4.689 12.292 4.923 1.00 0.00 C ATOM 369 CZ PHE A 29 -3.461 12.875 4.954 1.00 0.00 C ATOM 0 H PHE A 29 -6.723 12.502 1.288 1.00 0.00 H new ATOM 0 HA PHE A 29 -4.199 12.090 -0.237 1.00 0.00 H new ATOM 0 HB2 PHE A 29 -5.645 10.188 1.665 1.00 0.00 H new ATOM 0 HB3 PHE A 29 -3.984 10.083 1.114 1.00 0.00 H new ATOM 0 HD1 PHE A 29 -2.424 12.046 1.843 1.00 0.00 H new ATOM 0 HD2 PHE A 29 -6.093 11.139 3.733 1.00 0.00 H new ATOM 0 HE1 PHE A 29 -1.669 13.262 3.893 1.00 0.00 H new ATOM 0 HE2 PHE A 29 -5.338 12.354 5.784 1.00 0.00 H new ATOM 0 HZ PHE A 29 -3.134 13.399 5.840 1.00 0.00 H new ATOM 379 N GLY A 30 -7.196 11.026 -0.738 1.00 0.00 N ATOM 380 CA GLY A 30 -8.064 10.326 -1.668 1.00 0.00 C ATOM 381 C GLY A 30 -7.557 8.906 -1.928 1.00 0.00 C ATOM 382 O GLY A 30 -7.093 8.599 -3.025 1.00 0.00 O ATOM 0 H GLY A 30 -7.683 11.603 -0.052 1.00 0.00 H new ATOM 0 HA2 GLY A 30 -9.077 10.287 -1.267 1.00 0.00 H new ATOM 0 HA3 GLY A 30 -8.115 10.876 -2.608 1.00 0.00 H new ATOM 386 N ILE A 31 -7.664 8.076 -0.900 1.00 0.00 N ATOM 387 CA ILE A 31 -7.222 6.696 -1.004 1.00 0.00 C ATOM 388 C ILE A 31 -8.326 5.772 -0.487 1.00 0.00 C ATOM 389 O ILE A 31 -9.050 6.123 0.444 1.00 0.00 O ATOM 390 CB ILE A 31 -5.880 6.508 -0.293 1.00 0.00 C ATOM 391 CG1 ILE A 31 -4.871 7.569 -0.738 1.00 0.00 C ATOM 392 CG2 ILE A 31 -5.347 5.089 -0.495 1.00 0.00 C ATOM 393 CD1 ILE A 31 -3.441 7.140 -0.403 1.00 0.00 C ATOM 0 H ILE A 31 -8.050 8.333 0.008 1.00 0.00 H new ATOM 0 HA ILE A 31 -7.044 6.430 -2.046 1.00 0.00 H new ATOM 0 HB ILE A 31 -6.038 6.643 0.777 1.00 0.00 H new ATOM 0 HG12 ILE A 31 -4.963 7.736 -1.811 1.00 0.00 H new ATOM 0 HG13 ILE A 31 -5.094 8.517 -0.248 1.00 0.00 H new ATOM 0 HG21 ILE A 31 -4.392 4.982 0.020 1.00 0.00 H new ATOM 0 HG22 ILE A 31 -6.060 4.371 -0.090 1.00 0.00 H new ATOM 0 HG23 ILE A 31 -5.208 4.901 -1.560 1.00 0.00 H new ATOM 0 HD11 ILE A 31 -2.744 7.911 -0.730 1.00 0.00 H new ATOM 0 HD12 ILE A 31 -3.347 6.998 0.674 1.00 0.00 H new ATOM 0 HD13 ILE A 31 -3.213 6.205 -0.914 1.00 0.00 H new ATOM 405 N GLN A 32 -8.421 4.608 -1.113 1.00 0.00 N ATOM 406 CA GLN A 32 -9.425 3.630 -0.727 1.00 0.00 C ATOM 407 C GLN A 32 -8.774 2.267 -0.489 1.00 0.00 C ATOM 408 O GLN A 32 -7.812 1.907 -1.167 1.00 0.00 O ATOM 409 CB GLN A 32 -10.529 3.534 -1.782 1.00 0.00 C ATOM 410 CG GLN A 32 -11.703 4.450 -1.432 1.00 0.00 C ATOM 411 CD GLN A 32 -12.904 3.639 -0.941 1.00 0.00 C ATOM 412 OE1 GLN A 32 -12.859 2.968 0.077 1.00 0.00 O ATOM 413 NE2 GLN A 32 -13.978 3.737 -1.720 1.00 0.00 N ATOM 0 H GLN A 32 -7.819 4.320 -1.885 1.00 0.00 H new ATOM 0 HA GLN A 32 -9.885 3.958 0.205 1.00 0.00 H new ATOM 0 HB2 GLN A 32 -10.129 3.807 -2.758 1.00 0.00 H new ATOM 0 HB3 GLN A 32 -10.877 2.504 -1.857 1.00 0.00 H new ATOM 0 HG2 GLN A 32 -11.399 5.159 -0.662 1.00 0.00 H new ATOM 0 HG3 GLN A 32 -11.987 5.034 -2.308 1.00 0.00 H new ATOM 0 HE21 GLN A 32 -13.948 4.317 -2.559 1.00 0.00 H new ATOM 0 HE22 GLN A 32 -14.831 3.233 -1.478 1.00 0.00 H new ATOM 422 N LEU A 33 -9.324 1.545 0.476 1.00 0.00 N ATOM 423 CA LEU A 33 -8.808 0.228 0.813 1.00 0.00 C ATOM 424 C LEU A 33 -9.887 -0.822 0.541 1.00 0.00 C ATOM 425 O LEU A 33 -11.058 -0.485 0.374 1.00 0.00 O ATOM 426 CB LEU A 33 -8.280 0.210 2.249 1.00 0.00 C ATOM 427 CG LEU A 33 -7.332 1.349 2.629 1.00 0.00 C ATOM 428 CD1 LEU A 33 -7.421 1.661 4.124 1.00 0.00 C ATOM 429 CD2 LEU A 33 -5.899 1.039 2.192 1.00 0.00 C ATOM 0 H LEU A 33 -10.122 1.846 1.036 1.00 0.00 H new ATOM 0 HA LEU A 33 -7.955 -0.020 0.182 1.00 0.00 H new ATOM 0 HB2 LEU A 33 -9.132 0.231 2.929 1.00 0.00 H new ATOM 0 HB3 LEU A 33 -7.764 -0.736 2.414 1.00 0.00 H new ATOM 0 HG LEU A 33 -7.644 2.246 2.094 1.00 0.00 H new ATOM 0 HD11 LEU A 33 -6.737 2.474 4.367 1.00 0.00 H new ATOM 0 HD12 LEU A 33 -8.440 1.957 4.374 1.00 0.00 H new ATOM 0 HD13 LEU A 33 -7.149 0.775 4.697 1.00 0.00 H new ATOM 0 HD21 LEU A 33 -5.246 1.865 2.474 1.00 0.00 H new ATOM 0 HD22 LEU A 33 -5.560 0.125 2.679 1.00 0.00 H new ATOM 0 HD23 LEU A 33 -5.869 0.906 1.111 1.00 0.00 H new ATOM 441 N GLN A 34 -9.454 -2.073 0.505 1.00 0.00 N ATOM 442 CA GLN A 34 -10.369 -3.175 0.257 1.00 0.00 C ATOM 443 C GLN A 34 -10.405 -4.117 1.462 1.00 0.00 C ATOM 444 O GLN A 34 -9.512 -4.084 2.307 1.00 0.00 O ATOM 445 CB GLN A 34 -9.985 -3.930 -1.017 1.00 0.00 C ATOM 446 CG GLN A 34 -8.553 -4.462 -0.929 1.00 0.00 C ATOM 447 CD GLN A 34 -8.530 -5.990 -1.015 1.00 0.00 C ATOM 448 OE1 GLN A 34 -8.706 -6.580 -2.069 1.00 0.00 O ATOM 449 NE2 GLN A 34 -8.305 -6.594 0.148 1.00 0.00 N ATOM 0 H GLN A 34 -8.482 -2.349 0.643 1.00 0.00 H new ATOM 0 HA GLN A 34 -11.368 -2.765 0.111 1.00 0.00 H new ATOM 0 HB2 GLN A 34 -10.675 -4.759 -1.175 1.00 0.00 H new ATOM 0 HB3 GLN A 34 -10.079 -3.268 -1.878 1.00 0.00 H new ATOM 0 HG2 GLN A 34 -7.954 -4.040 -1.736 1.00 0.00 H new ATOM 0 HG3 GLN A 34 -8.098 -4.140 0.008 1.00 0.00 H new ATOM 0 HE21 GLN A 34 -8.166 -6.039 0.992 1.00 0.00 H new ATOM 0 HE22 GLN A 34 -8.271 -7.612 0.196 1.00 0.00 H new ATOM 620 N PRO A 47 -4.586 -4.382 3.477 1.00 0.00 N ATOM 621 CA PRO A 47 -5.555 -3.574 2.757 1.00 0.00 C ATOM 622 C PRO A 47 -4.937 -2.973 1.493 1.00 0.00 C ATOM 623 O PRO A 47 -4.282 -1.933 1.551 1.00 0.00 O ATOM 624 CB PRO A 47 -6.009 -2.520 3.754 1.00 0.00 C ATOM 625 CG PRO A 47 -4.944 -2.488 4.839 1.00 0.00 C ATOM 626 CD PRO A 47 -4.077 -3.726 4.678 1.00 0.00 C ATOM 0 HA PRO A 47 -6.404 -4.157 2.399 1.00 0.00 H new ATOM 0 HB2 PRO A 47 -6.108 -1.546 3.275 1.00 0.00 H new ATOM 0 HB3 PRO A 47 -6.984 -2.771 4.171 1.00 0.00 H new ATOM 0 HG2 PRO A 47 -4.339 -1.585 4.754 1.00 0.00 H new ATOM 0 HG3 PRO A 47 -5.405 -2.471 5.826 1.00 0.00 H new ATOM 0 HD2 PRO A 47 -3.025 -3.461 4.569 1.00 0.00 H new ATOM 0 HD3 PRO A 47 -4.153 -4.378 5.548 1.00 0.00 H new ATOM 634 N LEU A 48 -5.167 -3.653 0.379 1.00 0.00 N ATOM 635 CA LEU A 48 -4.641 -3.199 -0.897 1.00 0.00 C ATOM 636 C LEU A 48 -5.477 -2.020 -1.398 1.00 0.00 C ATOM 637 O LEU A 48 -6.693 -2.134 -1.545 1.00 0.00 O ATOM 638 CB LEU A 48 -4.562 -4.362 -1.888 1.00 0.00 C ATOM 639 CG LEU A 48 -3.959 -5.661 -1.351 1.00 0.00 C ATOM 640 CD1 LEU A 48 -4.566 -6.878 -2.052 1.00 0.00 C ATOM 641 CD2 LEU A 48 -2.433 -5.642 -1.455 1.00 0.00 C ATOM 0 H LEU A 48 -5.711 -4.515 0.334 1.00 0.00 H new ATOM 0 HA LEU A 48 -3.619 -2.839 -0.781 1.00 0.00 H new ATOM 0 HB2 LEU A 48 -5.568 -4.574 -2.250 1.00 0.00 H new ATOM 0 HB3 LEU A 48 -3.975 -4.041 -2.749 1.00 0.00 H new ATOM 0 HG LEU A 48 -4.208 -5.741 -0.293 1.00 0.00 H new ATOM 0 HD11 LEU A 48 -4.120 -7.788 -1.652 1.00 0.00 H new ATOM 0 HD12 LEU A 48 -5.643 -6.896 -1.882 1.00 0.00 H new ATOM 0 HD13 LEU A 48 -4.368 -6.817 -3.122 1.00 0.00 H new ATOM 0 HD21 LEU A 48 -2.030 -6.577 -1.066 1.00 0.00 H new ATOM 0 HD22 LEU A 48 -2.141 -5.527 -2.499 1.00 0.00 H new ATOM 0 HD23 LEU A 48 -2.039 -4.808 -0.874 1.00 0.00 H new ATOM 653 N ILE A 49 -4.792 -0.913 -1.647 1.00 0.00 N ATOM 654 CA ILE A 49 -5.456 0.286 -2.129 1.00 0.00 C ATOM 655 C ILE A 49 -6.508 -0.102 -3.170 1.00 0.00 C ATOM 656 O ILE A 49 -6.168 -0.462 -4.296 1.00 0.00 O ATOM 657 CB ILE A 49 -4.429 1.299 -2.639 1.00 0.00 C ATOM 658 CG1 ILE A 49 -3.805 2.079 -1.480 1.00 0.00 C ATOM 659 CG2 ILE A 49 -5.048 2.226 -3.687 1.00 0.00 C ATOM 660 CD1 ILE A 49 -2.528 2.794 -1.925 1.00 0.00 C ATOM 0 H ILE A 49 -3.784 -0.822 -1.524 1.00 0.00 H new ATOM 0 HA ILE A 49 -5.982 0.784 -1.315 1.00 0.00 H new ATOM 0 HB ILE A 49 -3.623 0.752 -3.129 1.00 0.00 H new ATOM 0 HG12 ILE A 49 -4.521 2.808 -1.101 1.00 0.00 H new ATOM 0 HG13 ILE A 49 -3.578 1.398 -0.659 1.00 0.00 H new ATOM 0 HG21 ILE A 49 -4.297 2.936 -4.033 1.00 0.00 H new ATOM 0 HG22 ILE A 49 -5.404 1.635 -4.531 1.00 0.00 H new ATOM 0 HG23 ILE A 49 -5.884 2.768 -3.245 1.00 0.00 H new ATOM 0 HD11 ILE A 49 -2.105 3.341 -1.082 1.00 0.00 H new ATOM 0 HD12 ILE A 49 -1.805 2.060 -2.281 1.00 0.00 H new ATOM 0 HD13 ILE A 49 -2.763 3.492 -2.729 1.00 0.00 H new ATOM 672 N SER A 50 -7.764 -0.015 -2.757 1.00 0.00 N ATOM 673 CA SER A 50 -8.867 -0.353 -3.640 1.00 0.00 C ATOM 674 C SER A 50 -8.913 0.624 -4.817 1.00 0.00 C ATOM 675 O SER A 50 -8.917 0.207 -5.974 1.00 0.00 O ATOM 676 CB SER A 50 -10.199 -0.340 -2.887 1.00 0.00 C ATOM 677 OG SER A 50 -11.307 -0.158 -3.765 1.00 0.00 O ATOM 0 H SER A 50 -8.042 0.285 -1.823 1.00 0.00 H new ATOM 0 HA SER A 50 -8.705 -1.362 -4.019 1.00 0.00 H new ATOM 0 HB2 SER A 50 -10.317 -1.277 -2.343 1.00 0.00 H new ATOM 0 HB3 SER A 50 -10.189 0.459 -2.146 1.00 0.00 H new ATOM 0 HG SER A 50 -12.139 -0.157 -3.246 1.00 0.00 H new ATOM 683 N TYR A 51 -8.947 1.905 -4.480 1.00 0.00 N ATOM 684 CA TYR A 51 -8.993 2.944 -5.494 1.00 0.00 C ATOM 685 C TYR A 51 -8.156 4.155 -5.077 1.00 0.00 C ATOM 686 O TYR A 51 -7.848 4.325 -3.898 1.00 0.00 O ATOM 687 CB TYR A 51 -10.460 3.365 -5.601 1.00 0.00 C ATOM 688 CG TYR A 51 -10.730 4.411 -6.685 1.00 0.00 C ATOM 689 CD1 TYR A 51 -10.802 4.030 -8.009 1.00 0.00 C ATOM 690 CD2 TYR A 51 -10.901 5.736 -6.338 1.00 0.00 C ATOM 691 CE1 TYR A 51 -11.056 5.014 -9.029 1.00 0.00 C ATOM 692 CE2 TYR A 51 -11.155 6.720 -7.357 1.00 0.00 C ATOM 693 CZ TYR A 51 -11.220 6.311 -8.653 1.00 0.00 C ATOM 694 OH TYR A 51 -11.460 7.240 -9.616 1.00 0.00 O ATOM 0 H TYR A 51 -8.944 2.247 -3.519 1.00 0.00 H new ATOM 0 HA TYR A 51 -8.594 2.575 -6.439 1.00 0.00 H new ATOM 0 HB2 TYR A 51 -11.067 2.482 -5.803 1.00 0.00 H new ATOM 0 HB3 TYR A 51 -10.785 3.762 -4.639 1.00 0.00 H new ATOM 0 HD1 TYR A 51 -10.668 2.993 -8.280 1.00 0.00 H new ATOM 0 HD2 TYR A 51 -10.844 6.034 -5.302 1.00 0.00 H new ATOM 0 HE1 TYR A 51 -11.115 4.729 -10.069 1.00 0.00 H new ATOM 0 HE2 TYR A 51 -11.291 7.760 -7.099 1.00 0.00 H new ATOM 0 HH TYR A 51 -11.557 8.123 -9.202 1.00 0.00 H new ATOM 704 N ILE A 52 -7.812 4.966 -6.066 1.00 0.00 N ATOM 705 CA ILE A 52 -7.018 6.157 -5.816 1.00 0.00 C ATOM 706 C ILE A 52 -7.680 7.358 -6.493 1.00 0.00 C ATOM 707 O ILE A 52 -7.710 7.445 -7.720 1.00 0.00 O ATOM 708 CB ILE A 52 -5.566 5.932 -6.245 1.00 0.00 C ATOM 709 CG1 ILE A 52 -4.995 4.665 -5.605 1.00 0.00 C ATOM 710 CG2 ILE A 52 -4.708 7.163 -5.944 1.00 0.00 C ATOM 711 CD1 ILE A 52 -3.741 4.194 -6.343 1.00 0.00 C ATOM 0 H ILE A 52 -8.069 4.822 -7.043 1.00 0.00 H new ATOM 0 HA ILE A 52 -6.981 6.373 -4.748 1.00 0.00 H new ATOM 0 HB ILE A 52 -5.548 5.783 -7.325 1.00 0.00 H new ATOM 0 HG12 ILE A 52 -4.755 4.858 -4.560 1.00 0.00 H new ATOM 0 HG13 ILE A 52 -5.747 3.876 -5.619 1.00 0.00 H new ATOM 0 HG21 ILE A 52 -3.681 6.977 -6.258 1.00 0.00 H new ATOM 0 HG22 ILE A 52 -5.103 8.023 -6.485 1.00 0.00 H new ATOM 0 HG23 ILE A 52 -4.728 7.368 -4.874 1.00 0.00 H new ATOM 0 HD11 ILE A 52 -3.356 3.292 -5.867 1.00 0.00 H new ATOM 0 HD12 ILE A 52 -3.990 3.978 -7.382 1.00 0.00 H new ATOM 0 HD13 ILE A 52 -2.982 4.976 -6.306 1.00 0.00 H new ATOM 723 N GLU A 53 -8.193 8.255 -5.665 1.00 0.00 N ATOM 724 CA GLU A 53 -8.853 9.448 -6.168 1.00 0.00 C ATOM 725 C GLU A 53 -7.967 10.149 -7.200 1.00 0.00 C ATOM 726 O GLU A 53 -6.742 10.086 -7.117 1.00 0.00 O ATOM 727 CB GLU A 53 -9.218 10.397 -5.025 1.00 0.00 C ATOM 728 CG GLU A 53 -10.678 10.844 -5.128 1.00 0.00 C ATOM 729 CD GLU A 53 -10.800 12.360 -4.967 1.00 0.00 C ATOM 730 OE1 GLU A 53 -10.811 12.808 -3.800 1.00 0.00 O ATOM 731 OE2 GLU A 53 -10.879 13.038 -6.015 1.00 0.00 O ATOM 0 H GLU A 53 -8.165 8.180 -4.648 1.00 0.00 H new ATOM 0 HA GLU A 53 -9.780 9.148 -6.657 1.00 0.00 H new ATOM 0 HB2 GLU A 53 -9.053 9.901 -4.069 1.00 0.00 H new ATOM 0 HB3 GLU A 53 -8.564 11.269 -5.049 1.00 0.00 H new ATOM 0 HG2 GLU A 53 -11.087 10.543 -6.093 1.00 0.00 H new ATOM 0 HG3 GLU A 53 -11.270 10.344 -4.361 1.00 0.00 H new ATOM 738 N ALA A 54 -8.622 10.801 -8.150 1.00 0.00 N ATOM 739 CA ALA A 54 -7.910 11.513 -9.197 1.00 0.00 C ATOM 740 C ALA A 54 -7.550 12.914 -8.701 1.00 0.00 C ATOM 741 O ALA A 54 -8.137 13.406 -7.738 1.00 0.00 O ATOM 742 CB ALA A 54 -8.765 11.545 -10.465 1.00 0.00 C ATOM 0 H ALA A 54 -9.639 10.851 -8.216 1.00 0.00 H new ATOM 0 HA ALA A 54 -6.980 11.002 -9.444 1.00 0.00 H new ATOM 0 HB1 ALA A 54 -8.231 12.079 -11.251 1.00 0.00 H new ATOM 0 HB2 ALA A 54 -8.968 10.525 -10.793 1.00 0.00 H new ATOM 0 HB3 ALA A 54 -9.706 12.053 -10.256 1.00 0.00 H new ATOM 748 N ASP A 55 -6.586 13.519 -9.380 1.00 0.00 N ATOM 749 CA ASP A 55 -6.141 14.854 -9.020 1.00 0.00 C ATOM 750 C ASP A 55 -5.760 14.878 -7.539 1.00 0.00 C ATOM 751 O ASP A 55 -5.730 15.940 -6.919 1.00 0.00 O ATOM 752 CB ASP A 55 -7.252 15.883 -9.240 1.00 0.00 C ATOM 753 CG ASP A 55 -6.781 17.241 -9.764 1.00 0.00 C ATOM 754 OD1 ASP A 55 -5.997 17.232 -10.738 1.00 0.00 O ATOM 755 OD2 ASP A 55 -7.216 18.257 -9.180 1.00 0.00 O ATOM 0 H ASP A 55 -6.101 13.109 -10.178 1.00 0.00 H new ATOM 0 HA ASP A 55 -5.287 15.106 -9.649 1.00 0.00 H new ATOM 0 HB2 ASP A 55 -7.975 15.470 -9.943 1.00 0.00 H new ATOM 0 HB3 ASP A 55 -7.777 16.036 -8.297 1.00 0.00 H new ATOM 760 N SER A 56 -5.479 13.695 -7.013 1.00 0.00 N ATOM 761 CA SER A 56 -5.102 13.567 -5.616 1.00 0.00 C ATOM 762 C SER A 56 -3.587 13.391 -5.497 1.00 0.00 C ATOM 763 O SER A 56 -2.911 13.111 -6.486 1.00 0.00 O ATOM 764 CB SER A 56 -5.826 12.392 -4.955 1.00 0.00 C ATOM 765 OG SER A 56 -4.928 11.345 -4.596 1.00 0.00 O ATOM 0 H SER A 56 -5.505 12.816 -7.530 1.00 0.00 H new ATOM 0 HA SER A 56 -5.398 14.479 -5.097 1.00 0.00 H new ATOM 0 HB2 SER A 56 -6.348 12.743 -4.065 1.00 0.00 H new ATOM 0 HB3 SER A 56 -6.583 12.003 -5.636 1.00 0.00 H new ATOM 0 HG SER A 56 -5.109 11.060 -3.676 1.00 0.00 H new ATOM 771 N PRO A 57 -3.084 13.568 -4.246 1.00 0.00 N ATOM 772 CA PRO A 57 -1.661 13.432 -3.985 1.00 0.00 C ATOM 773 C PRO A 57 -1.242 11.961 -3.983 1.00 0.00 C ATOM 774 O PRO A 57 -0.080 11.642 -4.232 1.00 0.00 O ATOM 775 CB PRO A 57 -1.440 14.114 -2.645 1.00 0.00 C ATOM 776 CG PRO A 57 -2.808 14.197 -1.988 1.00 0.00 C ATOM 777 CD PRO A 57 -3.854 13.900 -3.051 1.00 0.00 C ATOM 0 HA PRO A 57 -1.046 13.893 -4.758 1.00 0.00 H new ATOM 0 HB2 PRO A 57 -0.744 13.546 -2.028 1.00 0.00 H new ATOM 0 HB3 PRO A 57 -1.010 15.107 -2.778 1.00 0.00 H new ATOM 0 HG2 PRO A 57 -2.882 13.482 -1.169 1.00 0.00 H new ATOM 0 HG3 PRO A 57 -2.967 15.187 -1.562 1.00 0.00 H new ATOM 0 HD2 PRO A 57 -4.498 13.073 -2.753 1.00 0.00 H new ATOM 0 HD3 PRO A 57 -4.500 14.761 -3.223 1.00 0.00 H new ATOM 785 N ALA A 58 -2.211 11.103 -3.700 1.00 0.00 N ATOM 786 CA ALA A 58 -1.958 9.673 -3.662 1.00 0.00 C ATOM 787 C ALA A 58 -1.694 9.168 -5.082 1.00 0.00 C ATOM 788 O ALA A 58 -0.981 8.184 -5.273 1.00 0.00 O ATOM 789 CB ALA A 58 -3.140 8.961 -3.001 1.00 0.00 C ATOM 0 H ALA A 58 -3.173 11.371 -3.495 1.00 0.00 H new ATOM 0 HA ALA A 58 -1.072 9.457 -3.065 1.00 0.00 H new ATOM 0 HB1 ALA A 58 -2.949 7.888 -2.973 1.00 0.00 H new ATOM 0 HB2 ALA A 58 -3.267 9.334 -1.985 1.00 0.00 H new ATOM 0 HB3 ALA A 58 -4.047 9.153 -3.574 1.00 0.00 H new ATOM 795 N GLU A 59 -2.282 9.866 -6.043 1.00 0.00 N ATOM 796 CA GLU A 59 -2.120 9.501 -7.440 1.00 0.00 C ATOM 797 C GLU A 59 -1.014 10.341 -8.083 1.00 0.00 C ATOM 798 O GLU A 59 -0.289 9.859 -8.951 1.00 0.00 O ATOM 799 CB GLU A 59 -3.437 9.652 -8.203 1.00 0.00 C ATOM 800 CG GLU A 59 -3.377 8.929 -9.550 1.00 0.00 C ATOM 801 CD GLU A 59 -4.151 7.611 -9.500 1.00 0.00 C ATOM 802 OE1 GLU A 59 -5.394 7.678 -9.609 1.00 0.00 O ATOM 803 OE2 GLU A 59 -3.482 6.565 -9.353 1.00 0.00 O ATOM 0 H GLU A 59 -2.871 10.683 -5.881 1.00 0.00 H new ATOM 0 HA GLU A 59 -1.828 8.452 -7.490 1.00 0.00 H new ATOM 0 HB2 GLU A 59 -4.255 9.249 -7.606 1.00 0.00 H new ATOM 0 HB3 GLU A 59 -3.650 10.709 -8.363 1.00 0.00 H new ATOM 0 HG2 GLU A 59 -3.792 9.569 -10.329 1.00 0.00 H new ATOM 0 HG3 GLU A 59 -2.338 8.735 -9.816 1.00 0.00 H new ATOM 810 N ARG A 60 -0.921 11.583 -7.631 1.00 0.00 N ATOM 811 CA ARG A 60 0.084 12.495 -8.151 1.00 0.00 C ATOM 812 C ARG A 60 1.430 11.780 -8.288 1.00 0.00 C ATOM 813 O ARG A 60 1.986 11.700 -9.382 1.00 0.00 O ATOM 814 CB ARG A 60 0.251 13.711 -7.237 1.00 0.00 C ATOM 815 CG ARG A 60 -0.751 14.809 -7.598 1.00 0.00 C ATOM 816 CD ARG A 60 -0.052 16.163 -7.740 1.00 0.00 C ATOM 817 NE ARG A 60 1.097 16.046 -8.666 1.00 0.00 N ATOM 818 CZ ARG A 60 1.902 17.064 -8.997 1.00 0.00 C ATOM 819 NH1 ARG A 60 1.688 18.282 -8.480 1.00 0.00 N ATOM 820 NH2 ARG A 60 2.920 16.865 -9.845 1.00 0.00 N ATOM 0 H ARG A 60 -1.525 11.979 -6.911 1.00 0.00 H new ATOM 0 HA ARG A 60 -0.252 12.835 -9.131 1.00 0.00 H new ATOM 0 HB2 ARG A 60 0.110 13.412 -6.198 1.00 0.00 H new ATOM 0 HB3 ARG A 60 1.266 14.098 -7.322 1.00 0.00 H new ATOM 0 HG2 ARG A 60 -1.254 14.555 -8.531 1.00 0.00 H new ATOM 0 HG3 ARG A 60 -1.520 14.872 -6.829 1.00 0.00 H new ATOM 0 HD2 ARG A 60 -0.756 16.907 -8.113 1.00 0.00 H new ATOM 0 HD3 ARG A 60 0.290 16.509 -6.765 1.00 0.00 H new ATOM 0 HE ARG A 60 1.288 15.133 -9.078 1.00 0.00 H new ATOM 0 HH11 ARG A 60 0.912 18.433 -7.835 1.00 0.00 H new ATOM 0 HH12 ARG A 60 2.301 19.058 -8.732 1.00 0.00 H new ATOM 0 HH21 ARG A 60 3.082 15.938 -10.239 1.00 0.00 H new ATOM 0 HH22 ARG A 60 3.533 17.640 -10.097 1.00 0.00 H new ATOM 834 N CYS A 61 1.914 11.278 -7.161 1.00 0.00 N ATOM 835 CA CYS A 61 3.184 10.573 -7.141 1.00 0.00 C ATOM 836 C CYS A 61 3.072 9.356 -8.062 1.00 0.00 C ATOM 837 O CYS A 61 3.986 9.070 -8.834 1.00 0.00 O ATOM 838 CB CYS A 61 3.590 10.178 -5.720 1.00 0.00 C ATOM 839 SG CYS A 61 3.602 11.654 -4.639 1.00 0.00 S ATOM 0 H CYS A 61 1.449 11.346 -6.256 1.00 0.00 H new ATOM 0 HA CYS A 61 3.974 11.231 -7.504 1.00 0.00 H new ATOM 0 HB2 CYS A 61 2.895 9.435 -5.328 1.00 0.00 H new ATOM 0 HB3 CYS A 61 4.577 9.717 -5.730 1.00 0.00 H new ATOM 0 HG CYS A 61 3.946 11.307 -3.434 1.00 0.00 H new ATOM 845 N GLY A 62 1.943 8.671 -7.950 1.00 0.00 N ATOM 846 CA GLY A 62 1.700 7.492 -8.763 1.00 0.00 C ATOM 847 C GLY A 62 2.317 6.247 -8.121 1.00 0.00 C ATOM 848 O GLY A 62 1.988 5.123 -8.498 1.00 0.00 O ATOM 0 H GLY A 62 1.187 8.910 -7.309 1.00 0.00 H new ATOM 0 HA2 GLY A 62 0.627 7.347 -8.888 1.00 0.00 H new ATOM 0 HA3 GLY A 62 2.120 7.639 -9.758 1.00 0.00 H new ATOM 852 N VAL A 63 3.199 6.490 -7.164 1.00 0.00 N ATOM 853 CA VAL A 63 3.865 5.402 -6.466 1.00 0.00 C ATOM 854 C VAL A 63 2.817 4.408 -5.963 1.00 0.00 C ATOM 855 O VAL A 63 3.009 3.197 -6.060 1.00 0.00 O ATOM 856 CB VAL A 63 4.746 5.961 -5.347 1.00 0.00 C ATOM 857 CG1 VAL A 63 5.878 6.819 -5.916 1.00 0.00 C ATOM 858 CG2 VAL A 63 3.913 6.751 -4.336 1.00 0.00 C ATOM 0 H VAL A 63 3.469 7.424 -6.855 1.00 0.00 H new ATOM 0 HA VAL A 63 4.527 4.861 -7.143 1.00 0.00 H new ATOM 0 HB VAL A 63 5.197 5.118 -4.823 1.00 0.00 H new ATOM 0 HG11 VAL A 63 6.489 7.204 -5.099 1.00 0.00 H new ATOM 0 HG12 VAL A 63 6.497 6.213 -6.577 1.00 0.00 H new ATOM 0 HG13 VAL A 63 5.456 7.653 -6.477 1.00 0.00 H new ATOM 0 HG21 VAL A 63 4.564 7.137 -3.551 1.00 0.00 H new ATOM 0 HG22 VAL A 63 3.420 7.582 -4.841 1.00 0.00 H new ATOM 0 HG23 VAL A 63 3.161 6.097 -3.895 1.00 0.00 H new ATOM 868 N LEU A 64 1.732 4.956 -5.436 1.00 0.00 N ATOM 869 CA LEU A 64 0.654 4.132 -4.917 1.00 0.00 C ATOM 870 C LEU A 64 -0.165 3.577 -6.084 1.00 0.00 C ATOM 871 O LEU A 64 -0.943 4.302 -6.702 1.00 0.00 O ATOM 872 CB LEU A 64 -0.178 4.917 -3.901 1.00 0.00 C ATOM 873 CG LEU A 64 0.604 5.601 -2.778 1.00 0.00 C ATOM 874 CD1 LEU A 64 -0.243 6.676 -2.095 1.00 0.00 C ATOM 875 CD2 LEU A 64 1.140 4.573 -1.779 1.00 0.00 C ATOM 0 H LEU A 64 1.576 5.961 -5.357 1.00 0.00 H new ATOM 0 HA LEU A 64 1.056 3.277 -4.374 1.00 0.00 H new ATOM 0 HB2 LEU A 64 -0.746 5.678 -4.437 1.00 0.00 H new ATOM 0 HB3 LEU A 64 -0.901 4.237 -3.451 1.00 0.00 H new ATOM 0 HG LEU A 64 1.466 6.103 -3.218 1.00 0.00 H new ATOM 0 HD11 LEU A 64 0.337 7.146 -1.301 1.00 0.00 H new ATOM 0 HD12 LEU A 64 -0.534 7.430 -2.827 1.00 0.00 H new ATOM 0 HD13 LEU A 64 -1.137 6.219 -1.670 1.00 0.00 H new ATOM 0 HD21 LEU A 64 1.692 5.085 -0.991 1.00 0.00 H new ATOM 0 HD22 LEU A 64 0.307 4.023 -1.340 1.00 0.00 H new ATOM 0 HD23 LEU A 64 1.803 3.877 -2.293 1.00 0.00 H new ATOM 887 N GLN A 65 0.039 2.295 -6.352 1.00 0.00 N ATOM 888 CA GLN A 65 -0.670 1.634 -7.434 1.00 0.00 C ATOM 889 C GLN A 65 -1.949 0.979 -6.908 1.00 0.00 C ATOM 890 O GLN A 65 -1.981 0.490 -5.779 1.00 0.00 O ATOM 891 CB GLN A 65 0.226 0.608 -8.131 1.00 0.00 C ATOM 892 CG GLN A 65 -0.480 -0.001 -9.344 1.00 0.00 C ATOM 893 CD GLN A 65 0.376 0.140 -10.604 1.00 0.00 C ATOM 894 OE1 GLN A 65 1.260 0.977 -10.695 1.00 0.00 O ATOM 895 NE2 GLN A 65 0.066 -0.721 -11.568 1.00 0.00 N ATOM 0 H GLN A 65 0.686 1.697 -5.838 1.00 0.00 H new ATOM 0 HA GLN A 65 -0.948 2.385 -8.173 1.00 0.00 H new ATOM 0 HB2 GLN A 65 1.154 1.085 -8.447 1.00 0.00 H new ATOM 0 HB3 GLN A 65 0.496 -0.181 -7.429 1.00 0.00 H new ATOM 0 HG2 GLN A 65 -0.688 -1.055 -9.157 1.00 0.00 H new ATOM 0 HG3 GLN A 65 -1.441 0.492 -9.495 1.00 0.00 H new ATOM 0 HE21 GLN A 65 -0.685 -1.396 -11.427 1.00 0.00 H new ATOM 0 HE22 GLN A 65 0.580 -0.707 -12.449 1.00 0.00 H new ATOM 904 N ILE A 66 -2.971 0.989 -7.751 1.00 0.00 N ATOM 905 CA ILE A 66 -4.248 0.401 -7.385 1.00 0.00 C ATOM 906 C ILE A 66 -4.025 -1.033 -6.902 1.00 0.00 C ATOM 907 O ILE A 66 -3.723 -1.921 -7.698 1.00 0.00 O ATOM 908 CB ILE A 66 -5.240 0.512 -8.544 1.00 0.00 C ATOM 909 CG1 ILE A 66 -5.614 1.972 -8.809 1.00 0.00 C ATOM 910 CG2 ILE A 66 -6.473 -0.360 -8.296 1.00 0.00 C ATOM 911 CD1 ILE A 66 -6.744 2.425 -7.881 1.00 0.00 C ATOM 0 H ILE A 66 -2.941 1.395 -8.686 1.00 0.00 H new ATOM 0 HA ILE A 66 -4.697 0.950 -6.557 1.00 0.00 H new ATOM 0 HB ILE A 66 -4.755 0.136 -9.445 1.00 0.00 H new ATOM 0 HG12 ILE A 66 -4.741 2.607 -8.662 1.00 0.00 H new ATOM 0 HG13 ILE A 66 -5.922 2.090 -9.848 1.00 0.00 H new ATOM 0 HG21 ILE A 66 -7.162 -0.263 -9.135 1.00 0.00 H new ATOM 0 HG22 ILE A 66 -6.168 -1.402 -8.196 1.00 0.00 H new ATOM 0 HG23 ILE A 66 -6.968 -0.038 -7.380 1.00 0.00 H new ATOM 0 HD11 ILE A 66 -6.991 3.466 -8.090 1.00 0.00 H new ATOM 0 HD12 ILE A 66 -7.623 1.803 -8.048 1.00 0.00 H new ATOM 0 HD13 ILE A 66 -6.423 2.329 -6.844 1.00 0.00 H new ATOM 923 N GLY A 67 -4.183 -1.216 -5.599 1.00 0.00 N ATOM 924 CA GLY A 67 -4.002 -2.527 -5.000 1.00 0.00 C ATOM 925 C GLY A 67 -2.612 -2.657 -4.373 1.00 0.00 C ATOM 926 O GLY A 67 -2.053 -3.751 -4.317 1.00 0.00 O ATOM 0 H GLY A 67 -4.434 -0.478 -4.942 1.00 0.00 H new ATOM 0 HA2 GLY A 67 -4.765 -2.691 -4.239 1.00 0.00 H new ATOM 0 HA3 GLY A 67 -4.136 -3.299 -5.758 1.00 0.00 H new ATOM 930 N ASP A 68 -2.095 -1.525 -3.918 1.00 0.00 N ATOM 931 CA ASP A 68 -0.781 -1.499 -3.298 1.00 0.00 C ATOM 932 C ASP A 68 -0.755 -2.484 -2.127 1.00 0.00 C ATOM 933 O ASP A 68 -1.736 -3.183 -1.877 1.00 0.00 O ATOM 934 CB ASP A 68 -0.458 -0.107 -2.752 1.00 0.00 C ATOM 935 CG ASP A 68 0.829 0.518 -3.295 1.00 0.00 C ATOM 936 OD1 ASP A 68 1.456 -0.134 -4.157 1.00 0.00 O ATOM 937 OD2 ASP A 68 1.155 1.634 -2.835 1.00 0.00 O ATOM 0 H ASP A 68 -2.562 -0.620 -3.966 1.00 0.00 H new ATOM 0 HA ASP A 68 -0.045 -1.769 -4.055 1.00 0.00 H new ATOM 0 HB2 ASP A 68 -1.291 0.558 -2.979 1.00 0.00 H new ATOM 0 HB3 ASP A 68 -0.385 -0.167 -1.666 1.00 0.00 H new ATOM 942 N ARG A 69 0.378 -2.508 -1.441 1.00 0.00 N ATOM 943 CA ARG A 69 0.545 -3.395 -0.303 1.00 0.00 C ATOM 944 C ARG A 69 0.835 -2.587 0.963 1.00 0.00 C ATOM 945 O ARG A 69 1.944 -2.634 1.494 1.00 0.00 O ATOM 946 CB ARG A 69 1.687 -4.386 -0.540 1.00 0.00 C ATOM 947 CG ARG A 69 1.706 -4.864 -1.993 1.00 0.00 C ATOM 948 CD ARG A 69 2.178 -3.751 -2.930 1.00 0.00 C ATOM 949 NE ARG A 69 3.110 -4.301 -3.940 1.00 0.00 N ATOM 950 CZ ARG A 69 3.766 -3.557 -4.841 1.00 0.00 C ATOM 951 NH1 ARG A 69 3.596 -2.228 -4.864 1.00 0.00 N ATOM 952 NH2 ARG A 69 4.592 -4.142 -5.719 1.00 0.00 N ATOM 0 H ARG A 69 1.190 -1.927 -1.652 1.00 0.00 H new ATOM 0 HA ARG A 69 -0.384 -3.951 -0.178 1.00 0.00 H new ATOM 0 HB2 ARG A 69 2.639 -3.914 -0.296 1.00 0.00 H new ATOM 0 HB3 ARG A 69 1.575 -5.241 0.126 1.00 0.00 H new ATOM 0 HG2 ARG A 69 2.365 -5.727 -2.087 1.00 0.00 H new ATOM 0 HG3 ARG A 69 0.708 -5.191 -2.285 1.00 0.00 H new ATOM 0 HD2 ARG A 69 1.321 -3.293 -3.425 1.00 0.00 H new ATOM 0 HD3 ARG A 69 2.672 -2.966 -2.357 1.00 0.00 H new ATOM 0 HE ARG A 69 3.262 -5.309 -3.951 1.00 0.00 H new ATOM 0 HH11 ARG A 69 2.967 -1.783 -4.196 1.00 0.00 H new ATOM 0 HH12 ARG A 69 4.095 -1.662 -5.550 1.00 0.00 H new ATOM 0 HH21 ARG A 69 4.721 -5.154 -5.702 1.00 0.00 H new ATOM 0 HH22 ARG A 69 5.091 -3.576 -6.405 1.00 0.00 H new ATOM 966 N VAL A 70 -0.181 -1.863 1.410 1.00 0.00 N ATOM 967 CA VAL A 70 -0.049 -1.045 2.604 1.00 0.00 C ATOM 968 C VAL A 70 0.158 -1.952 3.818 1.00 0.00 C ATOM 969 O VAL A 70 -0.806 -2.465 4.386 1.00 0.00 O ATOM 970 CB VAL A 70 -1.264 -0.125 2.745 1.00 0.00 C ATOM 971 CG1 VAL A 70 -2.495 -0.909 3.205 1.00 0.00 C ATOM 972 CG2 VAL A 70 -0.965 1.035 3.696 1.00 0.00 C ATOM 0 H VAL A 70 -1.099 -1.826 0.967 1.00 0.00 H new ATOM 0 HA VAL A 70 0.825 -0.398 2.529 1.00 0.00 H new ATOM 0 HB VAL A 70 -1.483 0.295 1.763 1.00 0.00 H new ATOM 0 HG11 VAL A 70 -3.344 -0.232 3.297 1.00 0.00 H new ATOM 0 HG12 VAL A 70 -2.727 -1.684 2.474 1.00 0.00 H new ATOM 0 HG13 VAL A 70 -2.292 -1.370 4.171 1.00 0.00 H new ATOM 0 HG21 VAL A 70 -1.844 1.674 3.779 1.00 0.00 H new ATOM 0 HG22 VAL A 70 -0.708 0.642 4.680 1.00 0.00 H new ATOM 0 HG23 VAL A 70 -0.129 1.617 3.308 1.00 0.00 H new ATOM 982 N MET A 71 1.420 -2.123 4.181 1.00 0.00 N ATOM 983 CA MET A 71 1.766 -2.960 5.318 1.00 0.00 C ATOM 984 C MET A 71 1.349 -2.298 6.633 1.00 0.00 C ATOM 985 O MET A 71 0.990 -2.982 7.590 1.00 0.00 O ATOM 986 CB MET A 71 3.275 -3.209 5.328 1.00 0.00 C ATOM 987 CG MET A 71 3.786 -3.539 3.924 1.00 0.00 C ATOM 988 SD MET A 71 4.488 -5.180 3.900 1.00 0.00 S ATOM 989 CE MET A 71 3.033 -6.145 4.273 1.00 0.00 C ATOM 0 H MET A 71 2.216 -1.696 3.708 1.00 0.00 H new ATOM 0 HA MET A 71 1.233 -3.906 5.224 1.00 0.00 H new ATOM 0 HB2 MET A 71 3.790 -2.327 5.708 1.00 0.00 H new ATOM 0 HB3 MET A 71 3.507 -4.031 6.006 1.00 0.00 H new ATOM 0 HG2 MET A 71 2.969 -3.474 3.206 1.00 0.00 H new ATOM 0 HG3 MET A 71 4.536 -2.809 3.620 1.00 0.00 H new ATOM 0 HE1 MET A 71 3.154 -7.154 3.878 1.00 0.00 H new ATOM 0 HE2 MET A 71 2.895 -6.193 5.353 1.00 0.00 H new ATOM 0 HE3 MET A 71 2.160 -5.679 3.816 1.00 0.00 H new ATOM 999 N ALA A 72 1.409 -0.974 6.637 1.00 0.00 N ATOM 1000 CA ALA A 72 1.042 -0.212 7.819 1.00 0.00 C ATOM 1001 C ALA A 72 0.470 1.141 7.390 1.00 0.00 C ATOM 1002 O ALA A 72 0.208 1.362 6.209 1.00 0.00 O ATOM 1003 CB ALA A 72 2.260 -0.068 8.732 1.00 0.00 C ATOM 0 H ALA A 72 1.706 -0.410 5.841 1.00 0.00 H new ATOM 0 HA ALA A 72 0.270 -0.731 8.387 1.00 0.00 H new ATOM 0 HB1 ALA A 72 1.985 0.503 9.618 1.00 0.00 H new ATOM 0 HB2 ALA A 72 2.609 -1.056 9.031 1.00 0.00 H new ATOM 0 HB3 ALA A 72 3.056 0.452 8.198 1.00 0.00 H new ATOM 1009 N ILE A 73 0.294 2.011 8.374 1.00 0.00 N ATOM 1010 CA ILE A 73 -0.241 3.337 8.113 1.00 0.00 C ATOM 1011 C ILE A 73 0.208 4.290 9.222 1.00 0.00 C ATOM 1012 O ILE A 73 -0.393 4.328 10.295 1.00 0.00 O ATOM 1013 CB ILE A 73 -1.759 3.275 7.932 1.00 0.00 C ATOM 1014 CG1 ILE A 73 -2.135 2.377 6.752 1.00 0.00 C ATOM 1015 CG2 ILE A 73 -2.352 4.679 7.796 1.00 0.00 C ATOM 1016 CD1 ILE A 73 -3.626 2.490 6.430 1.00 0.00 C ATOM 0 H ILE A 73 0.512 1.824 9.353 1.00 0.00 H new ATOM 0 HA ILE A 73 0.153 3.730 7.176 1.00 0.00 H new ATOM 0 HB ILE A 73 -2.192 2.828 8.827 1.00 0.00 H new ATOM 0 HG12 ILE A 73 -1.548 2.656 5.877 1.00 0.00 H new ATOM 0 HG13 ILE A 73 -1.887 1.341 6.985 1.00 0.00 H new ATOM 0 HG21 ILE A 73 -3.432 4.607 7.668 1.00 0.00 H new ATOM 0 HG22 ILE A 73 -2.130 5.256 8.694 1.00 0.00 H new ATOM 0 HG23 ILE A 73 -1.917 5.175 6.929 1.00 0.00 H new ATOM 0 HD11 ILE A 73 -3.866 1.842 5.587 1.00 0.00 H new ATOM 0 HD12 ILE A 73 -4.210 2.187 7.299 1.00 0.00 H new ATOM 0 HD13 ILE A 73 -3.866 3.522 6.174 1.00 0.00 H new ATOM 1028 N ASN A 74 1.261 5.037 8.926 1.00 0.00 N ATOM 1029 CA ASN A 74 1.798 5.988 9.885 1.00 0.00 C ATOM 1030 C ASN A 74 2.541 5.231 10.987 1.00 0.00 C ATOM 1031 O ASN A 74 2.889 5.808 12.016 1.00 0.00 O ATOM 1032 CB ASN A 74 0.679 6.800 10.541 1.00 0.00 C ATOM 1033 CG ASN A 74 0.892 8.300 10.327 1.00 0.00 C ATOM 1034 OD1 ASN A 74 0.241 8.794 9.278 1.00 0.00 O flip ATOM 1035 ND2 ASN A 74 1.599 8.964 11.067 1.00 0.00 N flip ATOM 0 H ASN A 74 1.757 5.003 8.035 1.00 0.00 H new ATOM 0 HA ASN A 74 2.468 6.662 9.352 1.00 0.00 H new ATOM 0 HB2 ASN A 74 -0.283 6.503 10.124 1.00 0.00 H new ATOM 0 HB3 ASN A 74 0.645 6.583 11.609 1.00 0.00 H new ATOM 0 HD21 ASN A 74 2.070 8.520 11.855 1.00 0.00 H new ATOM 0 HD22 ASN A 74 1.719 9.963 10.897 1.00 0.00 H new ATOM 1042 N GLY A 75 2.762 3.949 10.734 1.00 0.00 N ATOM 1043 CA GLY A 75 3.458 3.107 11.691 1.00 0.00 C ATOM 1044 C GLY A 75 2.498 2.110 12.344 1.00 0.00 C ATOM 1045 O GLY A 75 2.916 1.271 13.140 1.00 0.00 O ATOM 0 H GLY A 75 2.471 3.473 9.880 1.00 0.00 H new ATOM 0 HA2 GLY A 75 4.262 2.568 11.190 1.00 0.00 H new ATOM 0 HA3 GLY A 75 3.921 3.728 12.458 1.00 0.00 H new ATOM 1049 N ILE A 76 1.230 2.236 11.983 1.00 0.00 N ATOM 1050 CA ILE A 76 0.207 1.357 12.523 1.00 0.00 C ATOM 1051 C ILE A 76 0.176 0.059 11.713 1.00 0.00 C ATOM 1052 O ILE A 76 0.153 0.091 10.484 1.00 0.00 O ATOM 1053 CB ILE A 76 -1.142 2.077 12.583 1.00 0.00 C ATOM 1054 CG1 ILE A 76 -1.036 3.372 13.391 1.00 0.00 C ATOM 1055 CG2 ILE A 76 -2.234 1.152 13.123 1.00 0.00 C ATOM 1056 CD1 ILE A 76 -1.065 3.085 14.893 1.00 0.00 C ATOM 0 H ILE A 76 0.887 2.934 11.323 1.00 0.00 H new ATOM 0 HA ILE A 76 0.443 1.086 13.552 1.00 0.00 H new ATOM 0 HB ILE A 76 -1.428 2.353 11.568 1.00 0.00 H new ATOM 0 HG12 ILE A 76 -0.112 3.891 13.134 1.00 0.00 H new ATOM 0 HG13 ILE A 76 -1.859 4.037 13.128 1.00 0.00 H new ATOM 0 HG21 ILE A 76 -3.182 1.689 13.155 1.00 0.00 H new ATOM 0 HG22 ILE A 76 -2.330 0.284 12.471 1.00 0.00 H new ATOM 0 HG23 ILE A 76 -1.969 0.824 14.128 1.00 0.00 H new ATOM 0 HD11 ILE A 76 -0.988 4.022 15.444 1.00 0.00 H new ATOM 0 HD12 ILE A 76 -2.000 2.588 15.151 1.00 0.00 H new ATOM 0 HD13 ILE A 76 -0.227 2.440 15.156 1.00 0.00 H new ATOM 1068 N PRO A 77 0.175 -1.081 12.454 1.00 0.00 N ATOM 1069 CA PRO A 77 0.147 -2.387 11.818 1.00 0.00 C ATOM 1070 C PRO A 77 -1.247 -2.701 11.271 1.00 0.00 C ATOM 1071 O PRO A 77 -2.167 -2.989 12.035 1.00 0.00 O ATOM 1072 CB PRO A 77 0.594 -3.360 12.896 1.00 0.00 C ATOM 1073 CG PRO A 77 0.409 -2.631 14.218 1.00 0.00 C ATOM 1074 CD PRO A 77 0.201 -1.157 13.912 1.00 0.00 C ATOM 0 HA PRO A 77 0.804 -2.446 10.950 1.00 0.00 H new ATOM 0 HB2 PRO A 77 0.001 -4.274 12.868 1.00 0.00 H new ATOM 0 HB3 PRO A 77 1.635 -3.651 12.753 1.00 0.00 H new ATOM 0 HG2 PRO A 77 -0.448 -3.033 14.759 1.00 0.00 H new ATOM 0 HG3 PRO A 77 1.282 -2.769 14.856 1.00 0.00 H new ATOM 0 HD2 PRO A 77 -0.730 -0.790 14.344 1.00 0.00 H new ATOM 0 HD3 PRO A 77 1.006 -0.549 14.326 1.00 0.00 H new ATOM 1082 N THR A 78 -1.360 -2.634 9.952 1.00 0.00 N ATOM 1083 CA THR A 78 -2.626 -2.907 9.294 1.00 0.00 C ATOM 1084 C THR A 78 -2.824 -4.414 9.123 1.00 0.00 C ATOM 1085 O THR A 78 -2.939 -4.906 8.001 1.00 0.00 O ATOM 1086 CB THR A 78 -2.648 -2.137 7.972 1.00 0.00 C ATOM 1087 OG1 THR A 78 -1.313 -2.248 7.484 1.00 0.00 O ATOM 1088 CG2 THR A 78 -2.848 -0.634 8.173 1.00 0.00 C ATOM 0 H THR A 78 -0.595 -2.394 9.321 1.00 0.00 H new ATOM 0 HA THR A 78 -3.467 -2.567 9.898 1.00 0.00 H new ATOM 0 HB THR A 78 -3.444 -2.527 7.338 1.00 0.00 H new ATOM 0 HG1 THR A 78 -0.969 -3.146 7.672 1.00 0.00 H new ATOM 0 HG21 THR A 78 -2.856 -0.135 7.204 1.00 0.00 H new ATOM 0 HG22 THR A 78 -3.797 -0.458 8.680 1.00 0.00 H new ATOM 0 HG23 THR A 78 -2.034 -0.236 8.779 1.00 0.00 H new ATOM 1096 N GLU A 79 -2.856 -5.107 10.252 1.00 0.00 N ATOM 1097 CA GLU A 79 -3.038 -6.548 10.241 1.00 0.00 C ATOM 1098 C GLU A 79 -3.675 -7.013 11.552 1.00 0.00 C ATOM 1099 O GLU A 79 -3.289 -8.042 12.104 1.00 0.00 O ATOM 1100 CB GLU A 79 -1.710 -7.266 9.993 1.00 0.00 C ATOM 1101 CG GLU A 79 -1.705 -7.953 8.625 1.00 0.00 C ATOM 1102 CD GLU A 79 -0.478 -8.853 8.468 1.00 0.00 C ATOM 1103 OE1 GLU A 79 -0.374 -9.814 9.261 1.00 0.00 O ATOM 1104 OE2 GLU A 79 0.327 -8.561 7.558 1.00 0.00 O ATOM 0 H GLU A 79 -2.759 -4.697 11.181 1.00 0.00 H new ATOM 0 HA GLU A 79 -3.711 -6.803 9.422 1.00 0.00 H new ATOM 0 HB2 GLU A 79 -0.890 -6.550 10.047 1.00 0.00 H new ATOM 0 HB3 GLU A 79 -1.540 -8.005 10.776 1.00 0.00 H new ATOM 0 HG2 GLU A 79 -2.612 -8.546 8.508 1.00 0.00 H new ATOM 0 HG3 GLU A 79 -1.712 -7.201 7.836 1.00 0.00 H new ATOM 1111 N ASP A 80 -4.642 -6.232 12.013 1.00 0.00 N ATOM 1112 CA ASP A 80 -5.336 -6.551 13.248 1.00 0.00 C ATOM 1113 C ASP A 80 -6.557 -5.639 13.392 1.00 0.00 C ATOM 1114 O ASP A 80 -7.646 -6.102 13.725 1.00 0.00 O ATOM 1115 CB ASP A 80 -4.433 -6.325 14.462 1.00 0.00 C ATOM 1116 CG ASP A 80 -5.021 -6.780 15.799 1.00 0.00 C ATOM 1117 OD1 ASP A 80 -5.088 -8.012 16.000 1.00 0.00 O ATOM 1118 OD2 ASP A 80 -5.390 -5.886 16.591 1.00 0.00 O ATOM 0 H ASP A 80 -4.961 -5.379 11.553 1.00 0.00 H new ATOM 0 HA ASP A 80 -5.631 -7.600 13.208 1.00 0.00 H new ATOM 0 HB2 ASP A 80 -3.492 -6.850 14.299 1.00 0.00 H new ATOM 0 HB3 ASP A 80 -4.198 -5.263 14.528 1.00 0.00 H new ATOM 1123 N SER A 81 -6.333 -4.359 13.133 1.00 0.00 N ATOM 1124 CA SER A 81 -7.401 -3.378 13.229 1.00 0.00 C ATOM 1125 C SER A 81 -8.500 -3.700 12.214 1.00 0.00 C ATOM 1126 O SER A 81 -8.455 -4.736 11.554 1.00 0.00 O ATOM 1127 CB SER A 81 -6.869 -1.961 13.004 1.00 0.00 C ATOM 1128 OG SER A 81 -5.578 -1.965 12.401 1.00 0.00 O ATOM 0 H SER A 81 -5.428 -3.978 12.857 1.00 0.00 H new ATOM 0 HA SER A 81 -7.819 -3.425 14.235 1.00 0.00 H new ATOM 0 HB2 SER A 81 -7.563 -1.409 12.370 1.00 0.00 H new ATOM 0 HB3 SER A 81 -6.822 -1.436 13.958 1.00 0.00 H new ATOM 0 HG SER A 81 -5.274 -1.042 12.272 1.00 0.00 H new ATOM 1134 N THR A 82 -9.460 -2.791 12.122 1.00 0.00 N ATOM 1135 CA THR A 82 -10.568 -2.965 11.199 1.00 0.00 C ATOM 1136 C THR A 82 -10.426 -2.014 10.009 1.00 0.00 C ATOM 1137 O THR A 82 -9.679 -1.039 10.075 1.00 0.00 O ATOM 1138 CB THR A 82 -11.869 -2.771 11.980 1.00 0.00 C ATOM 1139 OG1 THR A 82 -11.966 -1.360 12.149 1.00 0.00 O ATOM 1140 CG2 THR A 82 -11.781 -3.312 13.409 1.00 0.00 C ATOM 0 H THR A 82 -9.493 -1.932 12.671 1.00 0.00 H new ATOM 0 HA THR A 82 -10.574 -3.968 10.773 1.00 0.00 H new ATOM 0 HB THR A 82 -12.685 -3.267 11.454 1.00 0.00 H new ATOM 0 HG1 THR A 82 -12.783 -1.145 12.645 1.00 0.00 H new ATOM 0 HG21 THR A 82 -12.730 -3.149 13.919 1.00 0.00 H new ATOM 0 HG22 THR A 82 -11.563 -4.380 13.381 1.00 0.00 H new ATOM 0 HG23 THR A 82 -10.987 -2.793 13.946 1.00 0.00 H new ATOM 1148 N PHE A 83 -11.155 -2.330 8.949 1.00 0.00 N ATOM 1149 CA PHE A 83 -11.120 -1.515 7.746 1.00 0.00 C ATOM 1150 C PHE A 83 -11.450 -0.055 8.063 1.00 0.00 C ATOM 1151 O PHE A 83 -11.100 0.844 7.300 1.00 0.00 O ATOM 1152 CB PHE A 83 -12.183 -2.071 6.798 1.00 0.00 C ATOM 1153 CG PHE A 83 -12.536 -1.135 5.641 1.00 0.00 C ATOM 1154 CD1 PHE A 83 -13.263 -0.009 5.874 1.00 0.00 C ATOM 1155 CD2 PHE A 83 -12.123 -1.427 4.378 1.00 0.00 C ATOM 1156 CE1 PHE A 83 -13.591 0.860 4.801 1.00 0.00 C ATOM 1157 CE2 PHE A 83 -12.450 -0.558 3.305 1.00 0.00 C ATOM 1158 CZ PHE A 83 -13.177 0.568 3.538 1.00 0.00 C ATOM 0 H PHE A 83 -11.774 -3.139 8.898 1.00 0.00 H new ATOM 0 HA PHE A 83 -10.124 -1.547 7.304 1.00 0.00 H new ATOM 0 HB2 PHE A 83 -11.832 -3.019 6.391 1.00 0.00 H new ATOM 0 HB3 PHE A 83 -13.087 -2.285 7.368 1.00 0.00 H new ATOM 0 HD1 PHE A 83 -13.591 0.224 6.876 1.00 0.00 H new ATOM 0 HD2 PHE A 83 -11.546 -2.321 4.192 1.00 0.00 H new ATOM 0 HE1 PHE A 83 -14.169 1.753 4.987 1.00 0.00 H new ATOM 0 HE2 PHE A 83 -12.122 -0.791 2.303 1.00 0.00 H new ATOM 0 HZ PHE A 83 -13.425 1.230 2.721 1.00 0.00 H new ATOM 1168 N GLU A 84 -12.119 0.136 9.191 1.00 0.00 N ATOM 1169 CA GLU A 84 -12.500 1.471 9.618 1.00 0.00 C ATOM 1170 C GLU A 84 -11.289 2.211 10.191 1.00 0.00 C ATOM 1171 O GLU A 84 -11.116 3.405 9.953 1.00 0.00 O ATOM 1172 CB GLU A 84 -13.641 1.417 10.636 1.00 0.00 C ATOM 1173 CG GLU A 84 -14.976 1.129 9.947 1.00 0.00 C ATOM 1174 CD GLU A 84 -15.292 2.195 8.896 1.00 0.00 C ATOM 1175 OE1 GLU A 84 -15.269 3.387 9.272 1.00 0.00 O ATOM 1176 OE2 GLU A 84 -15.548 1.794 7.740 1.00 0.00 O ATOM 0 H GLU A 84 -12.407 -0.612 9.822 1.00 0.00 H new ATOM 0 HA GLU A 84 -12.859 2.020 8.748 1.00 0.00 H new ATOM 0 HB2 GLU A 84 -13.436 0.644 11.377 1.00 0.00 H new ATOM 0 HB3 GLU A 84 -13.701 2.365 11.171 1.00 0.00 H new ATOM 0 HG2 GLU A 84 -14.941 0.147 9.475 1.00 0.00 H new ATOM 0 HG3 GLU A 84 -15.773 1.098 10.690 1.00 0.00 H new ATOM 1183 N GLU A 85 -10.481 1.470 10.936 1.00 0.00 N ATOM 1184 CA GLU A 85 -9.292 2.041 11.545 1.00 0.00 C ATOM 1185 C GLU A 85 -8.393 2.662 10.474 1.00 0.00 C ATOM 1186 O GLU A 85 -8.210 3.878 10.441 1.00 0.00 O ATOM 1187 CB GLU A 85 -8.532 0.988 12.355 1.00 0.00 C ATOM 1188 CG GLU A 85 -8.344 1.442 13.804 1.00 0.00 C ATOM 1189 CD GLU A 85 -7.079 2.290 13.953 1.00 0.00 C ATOM 1190 OE1 GLU A 85 -6.071 1.925 13.311 1.00 0.00 O ATOM 1191 OE2 GLU A 85 -7.149 3.285 14.706 1.00 0.00 O ATOM 0 H GLU A 85 -10.627 0.480 11.131 1.00 0.00 H new ATOM 0 HA GLU A 85 -9.602 2.828 12.233 1.00 0.00 H new ATOM 0 HB2 GLU A 85 -9.077 0.044 12.334 1.00 0.00 H new ATOM 0 HB3 GLU A 85 -7.559 0.805 11.898 1.00 0.00 H new ATOM 0 HG2 GLU A 85 -9.212 2.018 14.124 1.00 0.00 H new ATOM 0 HG3 GLU A 85 -8.281 0.571 14.457 1.00 0.00 H new ATOM 1198 N ALA A 86 -7.857 1.800 9.623 1.00 0.00 N ATOM 1199 CA ALA A 86 -6.982 2.249 8.553 1.00 0.00 C ATOM 1200 C ALA A 86 -7.545 3.536 7.947 1.00 0.00 C ATOM 1201 O ALA A 86 -6.797 4.467 7.651 1.00 0.00 O ATOM 1202 CB ALA A 86 -6.829 1.135 7.517 1.00 0.00 C ATOM 0 H ALA A 86 -8.012 0.792 9.653 1.00 0.00 H new ATOM 0 HA ALA A 86 -5.988 2.473 8.939 1.00 0.00 H new ATOM 0 HB1 ALA A 86 -6.173 1.472 6.715 1.00 0.00 H new ATOM 0 HB2 ALA A 86 -6.399 0.253 7.992 1.00 0.00 H new ATOM 0 HB3 ALA A 86 -7.807 0.884 7.105 1.00 0.00 H new ATOM 1208 N ASN A 87 -8.860 3.548 7.779 1.00 0.00 N ATOM 1209 CA ASN A 87 -9.531 4.705 7.213 1.00 0.00 C ATOM 1210 C ASN A 87 -9.332 5.908 8.137 1.00 0.00 C ATOM 1211 O ASN A 87 -8.861 6.958 7.702 1.00 0.00 O ATOM 1212 CB ASN A 87 -11.035 4.457 7.077 1.00 0.00 C ATOM 1213 CG ASN A 87 -11.615 5.237 5.895 1.00 0.00 C ATOM 1214 OD1 ASN A 87 -11.964 6.401 5.998 1.00 0.00 O ATOM 1215 ND2 ASN A 87 -11.698 4.532 4.771 1.00 0.00 N ATOM 0 H ASN A 87 -9.478 2.775 8.025 1.00 0.00 H new ATOM 0 HA ASN A 87 -9.105 4.893 6.227 1.00 0.00 H new ATOM 0 HB2 ASN A 87 -11.221 3.392 6.940 1.00 0.00 H new ATOM 0 HB3 ASN A 87 -11.541 4.753 7.996 1.00 0.00 H new ATOM 0 HD21 ASN A 87 -12.072 4.963 3.925 1.00 0.00 H new ATOM 0 HD22 ASN A 87 -11.388 3.561 4.754 1.00 0.00 H new ATOM 1222 N GLN A 88 -9.700 5.715 9.395 1.00 0.00 N ATOM 1223 CA GLN A 88 -9.567 6.771 10.384 1.00 0.00 C ATOM 1224 C GLN A 88 -8.146 7.336 10.369 1.00 0.00 C ATOM 1225 O GLN A 88 -7.956 8.549 10.442 1.00 0.00 O ATOM 1226 CB GLN A 88 -9.942 6.266 11.779 1.00 0.00 C ATOM 1227 CG GLN A 88 -11.100 7.077 12.363 1.00 0.00 C ATOM 1228 CD GLN A 88 -12.358 6.936 11.503 1.00 0.00 C ATOM 1229 OE1 GLN A 88 -12.924 7.904 11.022 1.00 0.00 O ATOM 1230 NE2 GLN A 88 -12.761 5.680 11.337 1.00 0.00 N ATOM 0 H GLN A 88 -10.090 4.843 9.752 1.00 0.00 H new ATOM 0 HA GLN A 88 -10.259 7.573 10.126 1.00 0.00 H new ATOM 0 HB2 GLN A 88 -10.221 5.214 11.726 1.00 0.00 H new ATOM 0 HB3 GLN A 88 -9.077 6.334 12.439 1.00 0.00 H new ATOM 0 HG2 GLN A 88 -11.309 6.739 13.378 1.00 0.00 H new ATOM 0 HG3 GLN A 88 -10.816 8.127 12.429 1.00 0.00 H new ATOM 0 HE21 GLN A 88 -12.240 4.916 11.768 1.00 0.00 H new ATOM 0 HE22 GLN A 88 -13.591 5.480 10.779 1.00 0.00 H new ATOM 1239 N LEU A 89 -7.184 6.430 10.275 1.00 0.00 N ATOM 1240 CA LEU A 89 -5.785 6.824 10.249 1.00 0.00 C ATOM 1241 C LEU A 89 -5.601 7.971 9.254 1.00 0.00 C ATOM 1242 O LEU A 89 -4.877 8.926 9.529 1.00 0.00 O ATOM 1243 CB LEU A 89 -4.893 5.614 9.966 1.00 0.00 C ATOM 1244 CG LEU A 89 -5.096 4.403 10.879 1.00 0.00 C ATOM 1245 CD1 LEU A 89 -3.882 3.472 10.833 1.00 0.00 C ATOM 1246 CD2 LEU A 89 -5.427 4.841 12.306 1.00 0.00 C ATOM 0 H LEU A 89 -7.345 5.425 10.216 1.00 0.00 H new ATOM 0 HA LEU A 89 -5.476 7.197 11.225 1.00 0.00 H new ATOM 0 HB2 LEU A 89 -5.058 5.299 8.936 1.00 0.00 H new ATOM 0 HB3 LEU A 89 -3.852 5.930 10.040 1.00 0.00 H new ATOM 0 HG LEU A 89 -5.951 3.837 10.509 1.00 0.00 H new ATOM 0 HD11 LEU A 89 -4.052 2.620 11.491 1.00 0.00 H new ATOM 0 HD12 LEU A 89 -3.733 3.119 9.813 1.00 0.00 H new ATOM 0 HD13 LEU A 89 -2.995 4.014 11.163 1.00 0.00 H new ATOM 0 HD21 LEU A 89 -5.566 3.961 12.934 1.00 0.00 H new ATOM 0 HD22 LEU A 89 -4.608 5.443 12.701 1.00 0.00 H new ATOM 0 HD23 LEU A 89 -6.343 5.432 12.302 1.00 0.00 H new ATOM 1258 N LEU A 90 -6.268 7.838 8.117 1.00 0.00 N ATOM 1259 CA LEU A 90 -6.186 8.851 7.079 1.00 0.00 C ATOM 1260 C LEU A 90 -6.853 10.137 7.573 1.00 0.00 C ATOM 1261 O LEU A 90 -6.305 11.226 7.410 1.00 0.00 O ATOM 1262 CB LEU A 90 -6.769 8.322 5.767 1.00 0.00 C ATOM 1263 CG LEU A 90 -5.856 7.408 4.948 1.00 0.00 C ATOM 1264 CD1 LEU A 90 -6.458 7.122 3.571 1.00 0.00 C ATOM 1265 CD2 LEU A 90 -4.444 7.990 4.847 1.00 0.00 C ATOM 0 H LEU A 90 -6.868 7.044 7.892 1.00 0.00 H new ATOM 0 HA LEU A 90 -5.145 9.093 6.865 1.00 0.00 H new ATOM 0 HB2 LEU A 90 -7.686 7.778 5.993 1.00 0.00 H new ATOM 0 HB3 LEU A 90 -7.048 9.174 5.147 1.00 0.00 H new ATOM 0 HG LEU A 90 -5.774 6.453 5.468 1.00 0.00 H new ATOM 0 HD11 LEU A 90 -5.789 6.470 3.010 1.00 0.00 H new ATOM 0 HD12 LEU A 90 -7.425 6.633 3.691 1.00 0.00 H new ATOM 0 HD13 LEU A 90 -6.590 8.059 3.030 1.00 0.00 H new ATOM 0 HD21 LEU A 90 -3.816 7.320 4.260 1.00 0.00 H new ATOM 0 HD22 LEU A 90 -4.486 8.966 4.363 1.00 0.00 H new ATOM 0 HD23 LEU A 90 -4.023 8.099 5.847 1.00 0.00 H new ATOM 1277 N ARG A 91 -8.024 9.967 8.168 1.00 0.00 N ATOM 1278 CA ARG A 91 -8.771 11.100 8.688 1.00 0.00 C ATOM 1279 C ARG A 91 -7.942 11.847 9.735 1.00 0.00 C ATOM 1280 O ARG A 91 -8.099 13.054 9.910 1.00 0.00 O ATOM 1281 CB ARG A 91 -10.089 10.649 9.319 1.00 0.00 C ATOM 1282 CG ARG A 91 -11.152 10.397 8.247 1.00 0.00 C ATOM 1283 CD ARG A 91 -12.250 11.460 8.303 1.00 0.00 C ATOM 1284 NE ARG A 91 -12.283 12.221 7.034 1.00 0.00 N ATOM 1285 CZ ARG A 91 -12.613 11.691 5.849 1.00 0.00 C ATOM 1286 NH1 ARG A 91 -12.940 10.395 5.762 1.00 0.00 N ATOM 1287 NH2 ARG A 91 -12.616 12.458 4.750 1.00 0.00 N ATOM 0 H ARG A 91 -8.474 9.062 8.302 1.00 0.00 H new ATOM 0 HA ARG A 91 -8.990 11.764 7.852 1.00 0.00 H new ATOM 0 HB2 ARG A 91 -9.927 9.739 9.897 1.00 0.00 H new ATOM 0 HB3 ARG A 91 -10.442 11.410 10.015 1.00 0.00 H new ATOM 0 HG2 ARG A 91 -10.687 10.401 7.261 1.00 0.00 H new ATOM 0 HG3 ARG A 91 -11.590 9.409 8.389 1.00 0.00 H new ATOM 0 HD2 ARG A 91 -13.216 10.987 8.478 1.00 0.00 H new ATOM 0 HD3 ARG A 91 -12.070 12.137 9.138 1.00 0.00 H new ATOM 0 HE ARG A 91 -12.039 13.211 7.064 1.00 0.00 H new ATOM 0 HH11 ARG A 91 -12.938 9.811 6.598 1.00 0.00 H new ATOM 0 HH12 ARG A 91 -13.191 9.992 4.859 1.00 0.00 H new ATOM 0 HH21 ARG A 91 -12.367 13.445 4.816 1.00 0.00 H new ATOM 0 HH22 ARG A 91 -12.867 12.055 3.847 1.00 0.00 H new ATOM 1301 N ASP A 92 -7.077 11.098 10.403 1.00 0.00 N ATOM 1302 CA ASP A 92 -6.224 11.674 11.428 1.00 0.00 C ATOM 1303 C ASP A 92 -5.039 12.378 10.762 1.00 0.00 C ATOM 1304 O ASP A 92 -4.816 13.567 10.982 1.00 0.00 O ATOM 1305 CB ASP A 92 -5.670 10.591 12.356 1.00 0.00 C ATOM 1306 CG ASP A 92 -4.644 11.080 13.380 1.00 0.00 C ATOM 1307 OD1 ASP A 92 -5.088 11.503 14.470 1.00 0.00 O ATOM 1308 OD2 ASP A 92 -3.440 11.021 13.051 1.00 0.00 O ATOM 0 H ASP A 92 -6.949 10.097 10.254 1.00 0.00 H new ATOM 0 HA ASP A 92 -6.822 12.376 12.010 1.00 0.00 H new ATOM 0 HB2 ASP A 92 -6.502 10.130 12.889 1.00 0.00 H new ATOM 0 HB3 ASP A 92 -5.211 9.812 11.747 1.00 0.00 H new ATOM 1313 N SER A 93 -4.311 11.612 9.963 1.00 0.00 N ATOM 1314 CA SER A 93 -3.155 12.147 9.264 1.00 0.00 C ATOM 1315 C SER A 93 -3.480 13.531 8.697 1.00 0.00 C ATOM 1316 O SER A 93 -2.609 14.397 8.626 1.00 0.00 O ATOM 1317 CB SER A 93 -2.704 11.208 8.144 1.00 0.00 C ATOM 1318 OG SER A 93 -1.783 10.225 8.609 1.00 0.00 O ATOM 0 H SER A 93 -4.499 10.626 9.784 1.00 0.00 H new ATOM 0 HA SER A 93 -2.336 12.236 9.978 1.00 0.00 H new ATOM 0 HB2 SER A 93 -3.575 10.714 7.713 1.00 0.00 H new ATOM 0 HB3 SER A 93 -2.241 11.790 7.347 1.00 0.00 H new ATOM 0 HG SER A 93 -0.898 10.632 8.718 1.00 0.00 H new ATOM 1324 N SER A 94 -4.735 13.696 8.309 1.00 0.00 N ATOM 1325 CA SER A 94 -5.186 14.959 7.751 1.00 0.00 C ATOM 1326 C SER A 94 -4.745 16.116 8.650 1.00 0.00 C ATOM 1327 O SER A 94 -4.417 17.196 8.162 1.00 0.00 O ATOM 1328 CB SER A 94 -6.706 14.973 7.575 1.00 0.00 C ATOM 1329 OG SER A 94 -7.108 14.362 6.353 1.00 0.00 O ATOM 0 H SER A 94 -5.455 12.976 8.370 1.00 0.00 H new ATOM 0 HA SER A 94 -4.733 15.079 6.767 1.00 0.00 H new ATOM 0 HB2 SER A 94 -7.172 14.452 8.411 1.00 0.00 H new ATOM 0 HB3 SER A 94 -7.064 16.002 7.601 1.00 0.00 H new ATOM 0 HG SER A 94 -8.085 14.390 6.279 1.00 0.00 H new ATOM 1335 N ILE A 95 -4.751 15.850 9.948 1.00 0.00 N ATOM 1336 CA ILE A 95 -4.356 16.855 10.920 1.00 0.00 C ATOM 1337 C ILE A 95 -2.978 17.405 10.547 1.00 0.00 C ATOM 1338 O ILE A 95 -2.847 18.577 10.199 1.00 0.00 O ATOM 1339 CB ILE A 95 -4.427 16.286 12.338 1.00 0.00 C ATOM 1340 CG1 ILE A 95 -5.856 16.347 12.883 1.00 0.00 C ATOM 1341 CG2 ILE A 95 -3.431 16.989 13.262 1.00 0.00 C ATOM 1342 CD1 ILE A 95 -6.771 15.378 12.132 1.00 0.00 C ATOM 0 H ILE A 95 -5.023 14.953 10.349 1.00 0.00 H new ATOM 0 HA ILE A 95 -5.051 17.695 10.903 1.00 0.00 H new ATOM 0 HB ILE A 95 -4.142 15.235 12.298 1.00 0.00 H new ATOM 0 HG12 ILE A 95 -5.855 16.102 13.945 1.00 0.00 H new ATOM 0 HG13 ILE A 95 -6.241 17.362 12.790 1.00 0.00 H new ATOM 0 HG21 ILE A 95 -3.502 16.565 14.264 1.00 0.00 H new ATOM 0 HG22 ILE A 95 -2.420 16.850 12.880 1.00 0.00 H new ATOM 0 HG23 ILE A 95 -3.660 18.054 13.301 1.00 0.00 H new ATOM 0 HD11 ILE A 95 -7.780 15.441 12.539 1.00 0.00 H new ATOM 0 HD12 ILE A 95 -6.789 15.640 11.074 1.00 0.00 H new ATOM 0 HD13 ILE A 95 -6.397 14.361 12.247 1.00 0.00 H new ATOM 1354 N THR A 96 -1.985 16.532 10.631 1.00 0.00 N ATOM 1355 CA THR A 96 -0.621 16.915 10.307 1.00 0.00 C ATOM 1356 C THR A 96 -0.482 17.168 8.804 1.00 0.00 C ATOM 1357 O THR A 96 0.547 17.664 8.348 1.00 0.00 O ATOM 1358 CB THR A 96 0.314 15.822 10.828 1.00 0.00 C ATOM 1359 OG1 THR A 96 1.616 16.282 10.474 1.00 0.00 O ATOM 1360 CG2 THR A 96 0.162 14.507 10.062 1.00 0.00 C ATOM 0 H THR A 96 -2.098 15.560 10.919 1.00 0.00 H new ATOM 0 HA THR A 96 -0.348 17.853 10.790 1.00 0.00 H new ATOM 0 HB THR A 96 0.117 15.650 11.886 1.00 0.00 H new ATOM 0 HG1 THR A 96 1.547 16.926 9.738 1.00 0.00 H new ATOM 0 HG21 THR A 96 0.848 13.766 10.472 1.00 0.00 H new ATOM 0 HG22 THR A 96 -0.862 14.146 10.158 1.00 0.00 H new ATOM 0 HG23 THR A 96 0.392 14.671 9.009 1.00 0.00 H new ATOM 1368 N SER A 97 -1.532 16.817 8.077 1.00 0.00 N ATOM 1369 CA SER A 97 -1.540 17.000 6.636 1.00 0.00 C ATOM 1370 C SER A 97 -0.440 16.151 5.995 1.00 0.00 C ATOM 1371 O SER A 97 0.121 16.529 4.967 1.00 0.00 O ATOM 1372 CB SER A 97 -1.357 18.473 6.267 1.00 0.00 C ATOM 1373 OG SER A 97 -2.585 19.083 5.880 1.00 0.00 O ATOM 0 H SER A 97 -2.384 16.406 8.459 1.00 0.00 H new ATOM 0 HA SER A 97 -2.509 16.676 6.255 1.00 0.00 H new ATOM 0 HB2 SER A 97 -0.938 19.010 7.118 1.00 0.00 H new ATOM 0 HB3 SER A 97 -0.638 18.556 5.452 1.00 0.00 H new ATOM 0 HG SER A 97 -2.426 20.023 5.654 1.00 0.00 H new ATOM 1379 N LYS A 98 -0.165 15.020 6.628 1.00 0.00 N ATOM 1380 CA LYS A 98 0.858 14.115 6.132 1.00 0.00 C ATOM 1381 C LYS A 98 0.556 12.696 6.617 1.00 0.00 C ATOM 1382 O LYS A 98 0.046 12.509 7.721 1.00 0.00 O ATOM 1383 CB LYS A 98 2.251 14.615 6.522 1.00 0.00 C ATOM 1384 CG LYS A 98 3.157 14.726 5.294 1.00 0.00 C ATOM 1385 CD LYS A 98 4.121 15.906 5.429 1.00 0.00 C ATOM 1386 CE LYS A 98 4.463 16.494 4.059 1.00 0.00 C ATOM 1387 NZ LYS A 98 5.114 17.815 4.209 1.00 0.00 N ATOM 0 H LYS A 98 -0.633 14.710 7.480 1.00 0.00 H new ATOM 0 HA LYS A 98 0.848 14.089 5.042 1.00 0.00 H new ATOM 0 HB2 LYS A 98 2.170 15.588 7.007 1.00 0.00 H new ATOM 0 HB3 LYS A 98 2.696 13.933 7.247 1.00 0.00 H new ATOM 0 HG2 LYS A 98 3.722 13.802 5.170 1.00 0.00 H new ATOM 0 HG3 LYS A 98 2.548 14.850 4.398 1.00 0.00 H new ATOM 0 HD2 LYS A 98 3.673 16.676 6.058 1.00 0.00 H new ATOM 0 HD3 LYS A 98 5.034 15.579 5.927 1.00 0.00 H new ATOM 0 HE2 LYS A 98 5.124 15.815 3.520 1.00 0.00 H new ATOM 0 HE3 LYS A 98 3.556 16.595 3.463 1.00 0.00 H new ATOM 0 HZ1 LYS A 98 5.339 18.200 3.269 1.00 0.00 H new ATOM 0 HZ2 LYS A 98 4.470 18.465 4.704 1.00 0.00 H new ATOM 0 HZ3 LYS A 98 5.990 17.710 4.759 1.00 0.00 H new ATOM 1401 N VAL A 99 0.884 11.732 5.769 1.00 0.00 N ATOM 1402 CA VAL A 99 0.654 10.336 6.098 1.00 0.00 C ATOM 1403 C VAL A 99 1.818 9.494 5.571 1.00 0.00 C ATOM 1404 O VAL A 99 2.403 9.815 4.537 1.00 0.00 O ATOM 1405 CB VAL A 99 -0.703 9.887 5.553 1.00 0.00 C ATOM 1406 CG1 VAL A 99 -0.735 9.969 4.026 1.00 0.00 C ATOM 1407 CG2 VAL A 99 -1.047 8.475 6.034 1.00 0.00 C ATOM 0 H VAL A 99 1.307 11.891 4.855 1.00 0.00 H new ATOM 0 HA VAL A 99 0.617 10.199 7.179 1.00 0.00 H new ATOM 0 HB VAL A 99 -1.461 10.567 5.941 1.00 0.00 H new ATOM 0 HG11 VAL A 99 -1.711 9.644 3.665 1.00 0.00 H new ATOM 0 HG12 VAL A 99 -0.556 10.998 3.713 1.00 0.00 H new ATOM 0 HG13 VAL A 99 0.039 9.324 3.611 1.00 0.00 H new ATOM 0 HG21 VAL A 99 -2.016 8.180 5.632 1.00 0.00 H new ATOM 0 HG22 VAL A 99 -0.284 7.777 5.689 1.00 0.00 H new ATOM 0 HG23 VAL A 99 -1.086 8.461 7.123 1.00 0.00 H new ATOM 1417 N THR A 100 2.120 8.434 6.306 1.00 0.00 N ATOM 1418 CA THR A 100 3.204 7.544 5.926 1.00 0.00 C ATOM 1419 C THR A 100 2.664 6.143 5.629 1.00 0.00 C ATOM 1420 O THR A 100 2.448 5.350 6.544 1.00 0.00 O ATOM 1421 CB THR A 100 4.249 7.568 7.043 1.00 0.00 C ATOM 1422 OG1 THR A 100 4.852 8.854 6.927 1.00 0.00 O ATOM 1423 CG2 THR A 100 5.401 6.593 6.788 1.00 0.00 C ATOM 0 H THR A 100 1.633 8.171 7.163 1.00 0.00 H new ATOM 0 HA THR A 100 3.684 7.876 5.005 1.00 0.00 H new ATOM 0 HB THR A 100 3.771 7.326 7.992 1.00 0.00 H new ATOM 0 HG1 THR A 100 5.542 8.955 7.616 1.00 0.00 H new ATOM 0 HG21 THR A 100 6.114 6.650 7.610 1.00 0.00 H new ATOM 0 HG22 THR A 100 5.010 5.578 6.716 1.00 0.00 H new ATOM 0 HG23 THR A 100 5.901 6.856 5.856 1.00 0.00 H new ATOM 1431 N LEU A 101 2.462 5.882 4.346 1.00 0.00 N ATOM 1432 CA LEU A 101 1.952 4.591 3.916 1.00 0.00 C ATOM 1433 C LEU A 101 3.126 3.655 3.622 1.00 0.00 C ATOM 1434 O LEU A 101 3.957 3.947 2.763 1.00 0.00 O ATOM 1435 CB LEU A 101 0.991 4.759 2.738 1.00 0.00 C ATOM 1436 CG LEU A 101 -0.383 5.346 3.072 1.00 0.00 C ATOM 1437 CD1 LEU A 101 -1.067 5.890 1.816 1.00 0.00 C ATOM 1438 CD2 LEU A 101 -1.254 4.321 3.801 1.00 0.00 C ATOM 0 H LEU A 101 2.642 6.543 3.590 1.00 0.00 H new ATOM 0 HA LEU A 101 1.367 4.130 4.712 1.00 0.00 H new ATOM 0 HB2 LEU A 101 1.467 5.399 1.995 1.00 0.00 H new ATOM 0 HB3 LEU A 101 0.844 3.784 2.272 1.00 0.00 H new ATOM 0 HG LEU A 101 -0.240 6.187 3.750 1.00 0.00 H new ATOM 0 HD11 LEU A 101 -2.041 6.301 2.081 1.00 0.00 H new ATOM 0 HD12 LEU A 101 -0.450 6.674 1.376 1.00 0.00 H new ATOM 0 HD13 LEU A 101 -1.198 5.083 1.095 1.00 0.00 H new ATOM 0 HD21 LEU A 101 -2.224 4.763 4.027 1.00 0.00 H new ATOM 0 HD22 LEU A 101 -1.393 3.445 3.167 1.00 0.00 H new ATOM 0 HD23 LEU A 101 -0.766 4.023 4.729 1.00 0.00 H new ATOM 1450 N GLU A 102 3.158 2.550 4.353 1.00 0.00 N ATOM 1451 CA GLU A 102 4.217 1.570 4.181 1.00 0.00 C ATOM 1452 C GLU A 102 3.798 0.508 3.162 1.00 0.00 C ATOM 1453 O GLU A 102 2.853 -0.243 3.396 1.00 0.00 O ATOM 1454 CB GLU A 102 4.592 0.928 5.518 1.00 0.00 C ATOM 1455 CG GLU A 102 5.786 -0.015 5.358 1.00 0.00 C ATOM 1456 CD GLU A 102 6.956 0.428 6.239 1.00 0.00 C ATOM 1457 OE1 GLU A 102 7.073 1.654 6.452 1.00 0.00 O ATOM 1458 OE2 GLU A 102 7.708 -0.470 6.678 1.00 0.00 O ATOM 0 H GLU A 102 2.468 2.312 5.065 1.00 0.00 H new ATOM 0 HA GLU A 102 5.101 2.082 3.800 1.00 0.00 H new ATOM 0 HB2 GLU A 102 4.832 1.705 6.244 1.00 0.00 H new ATOM 0 HB3 GLU A 102 3.739 0.376 5.913 1.00 0.00 H new ATOM 0 HG2 GLU A 102 5.490 -1.030 5.623 1.00 0.00 H new ATOM 0 HG3 GLU A 102 6.100 -0.037 4.314 1.00 0.00 H new ATOM 1465 N ILE A 103 4.521 0.481 2.052 1.00 0.00 N ATOM 1466 CA ILE A 103 4.236 -0.476 0.996 1.00 0.00 C ATOM 1467 C ILE A 103 5.347 -1.526 0.952 1.00 0.00 C ATOM 1468 O ILE A 103 6.395 -1.353 1.573 1.00 0.00 O ATOM 1469 CB ILE A 103 4.019 0.245 -0.336 1.00 0.00 C ATOM 1470 CG1 ILE A 103 3.087 1.446 -0.163 1.00 0.00 C ATOM 1471 CG2 ILE A 103 3.514 -0.723 -1.407 1.00 0.00 C ATOM 1472 CD1 ILE A 103 1.623 1.003 -0.120 1.00 0.00 C ATOM 0 H ILE A 103 5.304 1.106 1.861 1.00 0.00 H new ATOM 0 HA ILE A 103 3.305 -1.004 1.202 1.00 0.00 H new ATOM 0 HB ILE A 103 4.980 0.630 -0.677 1.00 0.00 H new ATOM 0 HG12 ILE A 103 3.337 1.976 0.756 1.00 0.00 H new ATOM 0 HG13 ILE A 103 3.235 2.147 -0.985 1.00 0.00 H new ATOM 0 HG21 ILE A 103 3.368 -0.185 -2.344 1.00 0.00 H new ATOM 0 HG22 ILE A 103 4.246 -1.517 -1.555 1.00 0.00 H new ATOM 0 HG23 ILE A 103 2.567 -1.158 -1.087 1.00 0.00 H new ATOM 0 HD11 ILE A 103 0.982 1.876 0.004 1.00 0.00 H new ATOM 0 HD12 ILE A 103 1.369 0.495 -1.050 1.00 0.00 H new ATOM 0 HD13 ILE A 103 1.473 0.322 0.718 1.00 0.00 H new ATOM 1484 N GLU A 104 5.081 -2.593 0.213 1.00 0.00 N ATOM 1485 CA GLU A 104 6.045 -3.672 0.081 1.00 0.00 C ATOM 1486 C GLU A 104 6.046 -4.209 -1.352 1.00 0.00 C ATOM 1487 O GLU A 104 4.998 -4.569 -1.885 1.00 0.00 O ATOM 1488 CB GLU A 104 5.759 -4.790 1.085 1.00 0.00 C ATOM 1489 CG GLU A 104 6.347 -6.119 0.608 1.00 0.00 C ATOM 1490 CD GLU A 104 6.479 -7.108 1.768 1.00 0.00 C ATOM 1491 OE1 GLU A 104 7.008 -6.684 2.818 1.00 0.00 O ATOM 1492 OE2 GLU A 104 6.047 -8.266 1.579 1.00 0.00 O ATOM 0 H GLU A 104 4.211 -2.733 -0.301 1.00 0.00 H new ATOM 0 HA GLU A 104 7.036 -3.276 0.302 1.00 0.00 H new ATOM 0 HB2 GLU A 104 6.181 -4.529 2.055 1.00 0.00 H new ATOM 0 HB3 GLU A 104 4.683 -4.893 1.223 1.00 0.00 H new ATOM 0 HG2 GLU A 104 5.710 -6.545 -0.167 1.00 0.00 H new ATOM 0 HG3 GLU A 104 7.325 -5.948 0.158 1.00 0.00 H new ATOM 1499 N PHE A 105 7.236 -4.247 -1.935 1.00 0.00 N ATOM 1500 CA PHE A 105 7.387 -4.734 -3.295 1.00 0.00 C ATOM 1501 C PHE A 105 8.415 -5.866 -3.361 1.00 0.00 C ATOM 1502 O PHE A 105 8.987 -6.249 -2.342 1.00 0.00 O ATOM 1503 CB PHE A 105 7.886 -3.559 -4.138 1.00 0.00 C ATOM 1504 CG PHE A 105 8.941 -2.697 -3.442 1.00 0.00 C ATOM 1505 CD1 PHE A 105 8.589 -1.906 -2.393 1.00 0.00 C ATOM 1506 CD2 PHE A 105 10.231 -2.722 -3.871 1.00 0.00 C ATOM 1507 CE1 PHE A 105 9.568 -1.106 -1.747 1.00 0.00 C ATOM 1508 CE2 PHE A 105 11.211 -1.922 -3.225 1.00 0.00 C ATOM 1509 CZ PHE A 105 10.858 -1.131 -2.176 1.00 0.00 C ATOM 0 H PHE A 105 8.104 -3.948 -1.490 1.00 0.00 H new ATOM 0 HA PHE A 105 6.435 -5.121 -3.659 1.00 0.00 H new ATOM 0 HB2 PHE A 105 8.303 -3.944 -5.069 1.00 0.00 H new ATOM 0 HB3 PHE A 105 7.037 -2.930 -4.405 1.00 0.00 H new ATOM 0 HD1 PHE A 105 7.565 -1.886 -2.051 1.00 0.00 H new ATOM 0 HD2 PHE A 105 10.511 -3.351 -4.704 1.00 0.00 H new ATOM 0 HE1 PHE A 105 9.288 -0.477 -0.915 1.00 0.00 H new ATOM 0 HE2 PHE A 105 12.235 -1.942 -3.566 1.00 0.00 H new ATOM 0 HZ PHE A 105 11.603 -0.523 -1.684 1.00 0.00 H new ATOM 1519 N ASP A 106 8.618 -6.368 -4.570 1.00 0.00 N ATOM 1520 CA ASP A 106 9.567 -7.448 -4.782 1.00 0.00 C ATOM 1521 C ASP A 106 10.936 -6.859 -5.125 1.00 0.00 C ATOM 1522 O ASP A 106 11.023 -5.762 -5.675 1.00 0.00 O ATOM 1523 CB ASP A 106 9.132 -8.343 -5.945 1.00 0.00 C ATOM 1524 CG ASP A 106 8.548 -7.600 -7.148 1.00 0.00 C ATOM 1525 OD1 ASP A 106 7.525 -6.910 -6.947 1.00 0.00 O ATOM 1526 OD2 ASP A 106 9.137 -7.740 -8.242 1.00 0.00 O ATOM 0 H ASP A 106 8.142 -6.047 -5.413 1.00 0.00 H new ATOM 0 HA ASP A 106 9.613 -8.041 -3.868 1.00 0.00 H new ATOM 0 HB2 ASP A 106 9.992 -8.924 -6.278 1.00 0.00 H new ATOM 0 HB3 ASP A 106 8.390 -9.053 -5.580 1.00 0.00 H new