USER MOD reduce.3.24.130724 H: found=0, std=0, add=645, rem=0, adj=16 USER MOD reduce.3.24.130724 removed 646 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 14 HIS : no HD1:sc= -0.0208 X(o=-0.021,f=-0.2) USER MOD Single : A 15 LYS NZ :NH3+ 170:sc= 0 (180deg=-0.0556) USER MOD Single : A 19 LYS NZ :NH3+ -167:sc=-0.000435 (180deg=-0.0942) USER MOD Single : A 21 THR OG1 : rot 180:sc=-0.00643 USER MOD Single : A 22 THR OG1 : rot 180:sc= 0.0156 USER MOD Single : A 31 GLN :FLIP amide:sc= -0.211 F(o=-3.2!,f=-0.21) USER MOD Single : A 37 SER OG : rot -32:sc= 0.187 USER MOD Single : A 39 TYR OH : rot 180:sc= 0 USER MOD Single : A 45 SER OG : rot 180:sc= 0 USER MOD Single : A 49 ASN : amide:sc= -0.331 K(o=-0.33,f=-3.9!) USER MOD Single : A 55 THR OG1 : rot -44:sc= 1.01 USER MOD Single : A 57 THR OG1 : rot 180:sc= -0.704 USER MOD Single : A 62 SER OG : rot -54:sc= 0.493 USER MOD Single : A 66 TYR OH : rot 180:sc= 0 USER MOD Single : A 67 THR OG1 : rot -57:sc= 0.532 USER MOD Single : A 70 ASN : amide:sc= -0.736 K(o=-0.74,f=-7.1!) USER MOD Single : A 71 SER OG : rot 180:sc= 0 USER MOD Single : A 72 SER OG : rot 180:sc= 0 USER MOD Single : A 73 HIS : no HD1:sc= -15.3! C(o=-15!,f=-15!) USER MOD Single : A 79 THR OG1 : rot 111:sc= 1.04 USER MOD ----------------------------------------------------------------- ATOM 99 N GLY A 10 13.666 -0.756 -0.134 1.00 0.00 N ATOM 100 CA GLY A 10 14.140 -0.736 1.237 1.00 0.00 C ATOM 101 C GLY A 10 13.907 0.602 1.911 1.00 0.00 C ATOM 102 O GLY A 10 13.367 0.664 3.016 1.00 0.00 O ATOM 0 HA2 GLY A 10 13.635 -1.518 1.804 1.00 0.00 H new ATOM 0 HA3 GLY A 10 15.205 -0.967 1.253 1.00 0.00 H new ATOM 106 N LEU A 11 14.318 1.677 1.246 1.00 0.00 N ATOM 107 CA LEU A 11 14.152 3.021 1.788 1.00 0.00 C ATOM 108 C LEU A 11 12.697 3.282 2.163 1.00 0.00 C ATOM 109 O LEU A 11 12.401 4.163 2.971 1.00 0.00 O ATOM 110 CB LEU A 11 14.624 4.063 0.773 1.00 0.00 C ATOM 111 CG LEU A 11 13.562 4.583 -0.197 1.00 0.00 C ATOM 112 CD1 LEU A 11 12.836 3.426 -0.865 1.00 0.00 C ATOM 113 CD2 LEU A 11 12.575 5.487 0.527 1.00 0.00 C ATOM 0 H LEU A 11 14.768 1.644 0.331 1.00 0.00 H new ATOM 0 HA LEU A 11 14.759 3.100 2.690 1.00 0.00 H new ATOM 0 HB2 LEU A 11 15.036 4.912 1.318 1.00 0.00 H new ATOM 0 HB3 LEU A 11 15.439 3.632 0.191 1.00 0.00 H new ATOM 0 HG LEU A 11 14.060 5.168 -0.971 1.00 0.00 H new ATOM 0 HD11 LEU A 11 12.084 3.816 -1.551 1.00 0.00 H new ATOM 0 HD12 LEU A 11 13.552 2.818 -1.418 1.00 0.00 H new ATOM 0 HD13 LEU A 11 12.351 2.814 -0.105 1.00 0.00 H new ATOM 0 HD21 LEU A 11 11.827 5.848 -0.179 1.00 0.00 H new ATOM 0 HD22 LEU A 11 12.084 4.926 1.322 1.00 0.00 H new ATOM 0 HD23 LEU A 11 13.107 6.336 0.957 1.00 0.00 H new ATOM 125 N LEU A 12 11.792 2.508 1.573 1.00 0.00 N ATOM 126 CA LEU A 12 10.366 2.654 1.847 1.00 0.00 C ATOM 127 C LEU A 12 10.119 2.898 3.332 1.00 0.00 C ATOM 128 O LEU A 12 9.535 3.912 3.717 1.00 0.00 O ATOM 129 CB LEU A 12 9.610 1.405 1.391 1.00 0.00 C ATOM 130 CG LEU A 12 9.259 1.338 -0.096 1.00 0.00 C ATOM 131 CD1 LEU A 12 8.832 -0.070 -0.481 1.00 0.00 C ATOM 132 CD2 LEU A 12 8.163 2.340 -0.430 1.00 0.00 C ATOM 0 H LEU A 12 12.020 1.774 0.903 1.00 0.00 H new ATOM 0 HA LEU A 12 10.000 3.517 1.291 1.00 0.00 H new ATOM 0 HB2 LEU A 12 10.210 0.530 1.642 1.00 0.00 H new ATOM 0 HB3 LEU A 12 8.686 1.334 1.965 1.00 0.00 H new ATOM 0 HG LEU A 12 10.148 1.596 -0.672 1.00 0.00 H new ATOM 0 HD11 LEU A 12 8.586 -0.098 -1.543 1.00 0.00 H new ATOM 0 HD12 LEU A 12 9.647 -0.765 -0.279 1.00 0.00 H new ATOM 0 HD13 LEU A 12 7.957 -0.357 0.102 1.00 0.00 H new ATOM 0 HD21 LEU A 12 7.926 2.279 -1.492 1.00 0.00 H new ATOM 0 HD22 LEU A 12 7.272 2.113 0.155 1.00 0.00 H new ATOM 0 HD23 LEU A 12 8.506 3.347 -0.192 1.00 0.00 H new ATOM 144 N VAL A 13 10.569 1.964 4.164 1.00 0.00 N ATOM 145 CA VAL A 13 10.400 2.079 5.607 1.00 0.00 C ATOM 146 C VAL A 13 11.033 3.362 6.134 1.00 0.00 C ATOM 147 O VAL A 13 10.428 4.086 6.925 1.00 0.00 O ATOM 148 CB VAL A 13 11.018 0.875 6.343 1.00 0.00 C ATOM 149 CG1 VAL A 13 10.357 -0.420 5.896 1.00 0.00 C ATOM 150 CG2 VAL A 13 12.521 0.824 6.111 1.00 0.00 C ATOM 0 H VAL A 13 11.054 1.119 3.863 1.00 0.00 H new ATOM 0 HA VAL A 13 9.327 2.101 5.799 1.00 0.00 H new ATOM 0 HB VAL A 13 10.842 0.995 7.412 1.00 0.00 H new ATOM 0 HG11 VAL A 13 10.806 -1.260 6.426 1.00 0.00 H new ATOM 0 HG12 VAL A 13 9.291 -0.380 6.118 1.00 0.00 H new ATOM 0 HG13 VAL A 13 10.500 -0.550 4.823 1.00 0.00 H new ATOM 0 HG21 VAL A 13 12.942 -0.032 6.638 1.00 0.00 H new ATOM 0 HG22 VAL A 13 12.721 0.728 5.044 1.00 0.00 H new ATOM 0 HG23 VAL A 13 12.978 1.740 6.485 1.00 0.00 H new ATOM 160 N HIS A 14 12.255 3.638 5.690 1.00 0.00 N ATOM 161 CA HIS A 14 12.971 4.836 6.115 1.00 0.00 C ATOM 162 C HIS A 14 12.114 6.082 5.914 1.00 0.00 C ATOM 163 O HIS A 14 12.002 6.923 6.806 1.00 0.00 O ATOM 164 CB HIS A 14 14.282 4.974 5.341 1.00 0.00 C ATOM 165 CG HIS A 14 15.437 4.273 5.989 1.00 0.00 C ATOM 166 ND1 HIS A 14 15.827 4.510 7.290 1.00 0.00 N ATOM 167 CD2 HIS A 14 16.286 3.336 5.507 1.00 0.00 C ATOM 168 CE1 HIS A 14 16.868 3.750 7.580 1.00 0.00 C ATOM 169 NE2 HIS A 14 17.166 3.027 6.515 1.00 0.00 N ATOM 0 H HIS A 14 12.770 3.049 5.036 1.00 0.00 H new ATOM 0 HA HIS A 14 13.194 4.738 7.177 1.00 0.00 H new ATOM 0 HB2 HIS A 14 14.144 4.577 4.335 1.00 0.00 H new ATOM 0 HB3 HIS A 14 14.522 6.032 5.236 1.00 0.00 H new ATOM 0 HD2 HIS A 14 16.274 2.910 4.514 1.00 0.00 H new ATOM 0 HE1 HIS A 14 17.387 3.724 8.527 1.00 0.00 H new ATOM 0 HE2 HIS A 14 17.926 2.350 6.452 1.00 0.00 H new ATOM 178 N LYS A 15 11.510 6.194 4.736 1.00 0.00 N ATOM 179 CA LYS A 15 10.662 7.337 4.416 1.00 0.00 C ATOM 180 C LYS A 15 9.228 7.096 4.877 1.00 0.00 C ATOM 181 O LYS A 15 8.629 6.068 4.563 1.00 0.00 O ATOM 182 CB LYS A 15 10.686 7.610 2.910 1.00 0.00 C ATOM 183 CG LYS A 15 9.661 8.638 2.463 1.00 0.00 C ATOM 184 CD LYS A 15 9.261 8.431 1.012 1.00 0.00 C ATOM 185 CE LYS A 15 8.430 9.594 0.492 1.00 0.00 C ATOM 186 NZ LYS A 15 9.259 10.809 0.260 1.00 0.00 N ATOM 0 H LYS A 15 11.592 5.507 3.986 1.00 0.00 H new ATOM 0 HA LYS A 15 11.053 8.207 4.943 1.00 0.00 H new ATOM 0 HB2 LYS A 15 11.681 7.954 2.627 1.00 0.00 H new ATOM 0 HB3 LYS A 15 10.508 6.676 2.377 1.00 0.00 H new ATOM 0 HG2 LYS A 15 8.777 8.572 3.098 1.00 0.00 H new ATOM 0 HG3 LYS A 15 10.070 9.640 2.589 1.00 0.00 H new ATOM 0 HD2 LYS A 15 10.155 8.319 0.399 1.00 0.00 H new ATOM 0 HD3 LYS A 15 8.693 7.506 0.919 1.00 0.00 H new ATOM 0 HE2 LYS A 15 7.942 9.304 -0.439 1.00 0.00 H new ATOM 0 HE3 LYS A 15 7.640 9.824 1.207 1.00 0.00 H new ATOM 0 HZ1 LYS A 15 8.697 11.521 -0.249 1.00 0.00 H new ATOM 0 HZ2 LYS A 15 9.566 11.199 1.174 1.00 0.00 H new ATOM 0 HZ3 LYS A 15 10.094 10.557 -0.307 1.00 0.00 H new ATOM 200 N ALA A 16 8.684 8.051 5.624 1.00 0.00 N ATOM 201 CA ALA A 16 7.319 7.944 6.125 1.00 0.00 C ATOM 202 C ALA A 16 6.352 7.565 5.008 1.00 0.00 C ATOM 203 O ALA A 16 6.411 8.116 3.909 1.00 0.00 O ATOM 204 CB ALA A 16 6.891 9.252 6.775 1.00 0.00 C ATOM 0 H ALA A 16 9.167 8.907 5.896 1.00 0.00 H new ATOM 0 HA ALA A 16 7.295 7.153 6.875 1.00 0.00 H new ATOM 0 HB1 ALA A 16 5.870 9.158 7.144 1.00 0.00 H new ATOM 0 HB2 ALA A 16 7.558 9.481 7.606 1.00 0.00 H new ATOM 0 HB3 ALA A 16 6.938 10.056 6.040 1.00 0.00 H new ATOM 210 N VAL A 17 5.463 6.620 5.297 1.00 0.00 N ATOM 211 CA VAL A 17 4.483 6.168 4.317 1.00 0.00 C ATOM 212 C VAL A 17 3.473 7.266 4.002 1.00 0.00 C ATOM 213 O VAL A 17 2.923 7.320 2.902 1.00 0.00 O ATOM 214 CB VAL A 17 3.729 4.919 4.813 1.00 0.00 C ATOM 215 CG1 VAL A 17 2.568 4.594 3.886 1.00 0.00 C ATOM 216 CG2 VAL A 17 4.678 3.736 4.928 1.00 0.00 C ATOM 0 H VAL A 17 5.401 6.153 6.202 1.00 0.00 H new ATOM 0 HA VAL A 17 5.034 5.915 3.411 1.00 0.00 H new ATOM 0 HB VAL A 17 3.324 5.128 5.803 1.00 0.00 H new ATOM 0 HG11 VAL A 17 2.047 3.709 4.252 1.00 0.00 H new ATOM 0 HG12 VAL A 17 1.877 5.437 3.859 1.00 0.00 H new ATOM 0 HG13 VAL A 17 2.947 4.403 2.882 1.00 0.00 H new ATOM 0 HG21 VAL A 17 4.129 2.862 5.280 1.00 0.00 H new ATOM 0 HG22 VAL A 17 5.113 3.523 3.952 1.00 0.00 H new ATOM 0 HG23 VAL A 17 5.472 3.974 5.635 1.00 0.00 H new ATOM 226 N ASP A 18 3.235 8.139 4.974 1.00 0.00 N ATOM 227 CA ASP A 18 2.292 9.238 4.801 1.00 0.00 C ATOM 228 C ASP A 18 2.838 10.272 3.821 1.00 0.00 C ATOM 229 O ASP A 18 2.177 11.266 3.518 1.00 0.00 O ATOM 230 CB ASP A 18 1.994 9.900 6.147 1.00 0.00 C ATOM 231 CG ASP A 18 3.099 10.841 6.587 1.00 0.00 C ATOM 232 OD1 ASP A 18 4.226 10.359 6.827 1.00 0.00 O ATOM 233 OD2 ASP A 18 2.837 12.057 6.691 1.00 0.00 O ATOM 0 H ASP A 18 3.682 8.107 5.890 1.00 0.00 H new ATOM 0 HA ASP A 18 1.367 8.830 4.394 1.00 0.00 H new ATOM 0 HB2 ASP A 18 1.057 10.452 6.077 1.00 0.00 H new ATOM 0 HB3 ASP A 18 1.854 9.129 6.905 1.00 0.00 H new ATOM 238 N LYS A 19 4.048 10.032 3.328 1.00 0.00 N ATOM 239 CA LYS A 19 4.684 10.942 2.382 1.00 0.00 C ATOM 240 C LYS A 19 4.878 10.269 1.027 1.00 0.00 C ATOM 241 O LYS A 19 5.361 10.888 0.080 1.00 0.00 O ATOM 242 CB LYS A 19 6.033 11.415 2.926 1.00 0.00 C ATOM 243 CG LYS A 19 5.943 12.684 3.756 1.00 0.00 C ATOM 244 CD LYS A 19 5.226 12.439 5.073 1.00 0.00 C ATOM 245 CE LYS A 19 5.537 13.528 6.089 1.00 0.00 C ATOM 246 NZ LYS A 19 6.915 13.397 6.638 1.00 0.00 N ATOM 0 H LYS A 19 4.609 9.214 3.568 1.00 0.00 H new ATOM 0 HA LYS A 19 4.030 11.804 2.250 1.00 0.00 H new ATOM 0 HB2 LYS A 19 6.468 10.623 3.535 1.00 0.00 H new ATOM 0 HB3 LYS A 19 6.713 11.584 2.091 1.00 0.00 H new ATOM 0 HG2 LYS A 19 6.946 13.064 3.952 1.00 0.00 H new ATOM 0 HG3 LYS A 19 5.416 13.453 3.191 1.00 0.00 H new ATOM 0 HD2 LYS A 19 4.151 12.397 4.901 1.00 0.00 H new ATOM 0 HD3 LYS A 19 5.522 11.470 5.475 1.00 0.00 H new ATOM 0 HE2 LYS A 19 5.424 14.505 5.620 1.00 0.00 H new ATOM 0 HE3 LYS A 19 4.815 13.481 6.904 1.00 0.00 H new ATOM 0 HZ1 LYS A 19 7.015 14.008 7.474 1.00 0.00 H new ATOM 0 HZ2 LYS A 19 7.088 12.408 6.909 1.00 0.00 H new ATOM 0 HZ3 LYS A 19 7.605 13.684 5.915 1.00 0.00 H new ATOM 260 N TRP A 20 4.497 8.999 0.943 1.00 0.00 N ATOM 261 CA TRP A 20 4.628 8.243 -0.298 1.00 0.00 C ATOM 262 C TRP A 20 3.767 8.851 -1.399 1.00 0.00 C ATOM 263 O TRP A 20 2.883 9.667 -1.133 1.00 0.00 O ATOM 264 CB TRP A 20 4.234 6.782 -0.073 1.00 0.00 C ATOM 265 CG TRP A 20 5.187 6.040 0.814 1.00 0.00 C ATOM 266 CD1 TRP A 20 6.233 6.567 1.516 1.00 0.00 C ATOM 267 CD2 TRP A 20 5.183 4.635 1.091 1.00 0.00 C ATOM 268 NE1 TRP A 20 6.879 5.574 2.213 1.00 0.00 N ATOM 269 CE2 TRP A 20 6.254 4.380 1.970 1.00 0.00 C ATOM 270 CE3 TRP A 20 4.377 3.568 0.684 1.00 0.00 C ATOM 271 CZ2 TRP A 20 6.538 3.103 2.445 1.00 0.00 C ATOM 272 CZ3 TRP A 20 4.661 2.301 1.157 1.00 0.00 C ATOM 273 CH2 TRP A 20 5.733 2.077 2.031 1.00 0.00 C ATOM 0 H TRP A 20 4.095 8.472 1.718 1.00 0.00 H new ATOM 0 HA TRP A 20 5.671 8.286 -0.613 1.00 0.00 H new ATOM 0 HB2 TRP A 20 3.237 6.745 0.366 1.00 0.00 H new ATOM 0 HB3 TRP A 20 4.177 6.276 -1.037 1.00 0.00 H new ATOM 0 HD1 TRP A 20 6.512 7.610 1.523 1.00 0.00 H new ATOM 0 HE1 TRP A 20 7.693 5.705 2.814 1.00 0.00 H new ATOM 0 HE3 TRP A 20 3.547 3.731 0.012 1.00 0.00 H new ATOM 0 HZ2 TRP A 20 7.365 2.928 3.117 1.00 0.00 H new ATOM 0 HZ3 TRP A 20 4.046 1.469 0.848 1.00 0.00 H new ATOM 0 HH2 TRP A 20 5.928 1.075 2.385 1.00 0.00 H new ATOM 284 N THR A 21 4.028 8.449 -2.639 1.00 0.00 N ATOM 285 CA THR A 21 3.278 8.955 -3.782 1.00 0.00 C ATOM 286 C THR A 21 2.557 7.826 -4.510 1.00 0.00 C ATOM 287 O THR A 21 2.966 6.667 -4.440 1.00 0.00 O ATOM 288 CB THR A 21 4.196 9.689 -4.777 1.00 0.00 C ATOM 289 OG1 THR A 21 5.355 8.895 -5.052 1.00 0.00 O ATOM 290 CG2 THR A 21 4.621 11.041 -4.224 1.00 0.00 C ATOM 0 H THR A 21 4.754 7.774 -2.877 1.00 0.00 H new ATOM 0 HA THR A 21 2.543 9.659 -3.391 1.00 0.00 H new ATOM 0 HB THR A 21 3.639 9.850 -5.700 1.00 0.00 H new ATOM 0 HG1 THR A 21 5.933 9.368 -5.687 1.00 0.00 H new ATOM 0 HG21 THR A 21 5.269 11.541 -4.944 1.00 0.00 H new ATOM 0 HG22 THR A 21 3.738 11.654 -4.043 1.00 0.00 H new ATOM 0 HG23 THR A 21 5.161 10.898 -3.288 1.00 0.00 H new ATOM 298 N THR A 22 1.482 8.172 -5.211 1.00 0.00 N ATOM 299 CA THR A 22 0.704 7.187 -5.952 1.00 0.00 C ATOM 300 C THR A 22 1.607 6.127 -6.573 1.00 0.00 C ATOM 301 O THR A 22 1.202 4.978 -6.745 1.00 0.00 O ATOM 302 CB THR A 22 -0.128 7.851 -7.065 1.00 0.00 C ATOM 303 OG1 THR A 22 -0.776 9.024 -6.559 1.00 0.00 O ATOM 304 CG2 THR A 22 -1.170 6.886 -7.611 1.00 0.00 C ATOM 0 H THR A 22 1.130 9.127 -5.281 1.00 0.00 H new ATOM 0 HA THR A 22 0.031 6.714 -5.237 1.00 0.00 H new ATOM 0 HB THR A 22 0.546 8.129 -7.875 1.00 0.00 H new ATOM 0 HG1 THR A 22 -1.302 9.441 -7.273 1.00 0.00 H new ATOM 0 HG21 THR A 22 -1.745 7.377 -8.396 1.00 0.00 H new ATOM 0 HG22 THR A 22 -0.672 6.007 -8.022 1.00 0.00 H new ATOM 0 HG23 THR A 22 -1.840 6.581 -6.807 1.00 0.00 H new ATOM 312 N GLU A 23 2.832 6.521 -6.907 1.00 0.00 N ATOM 313 CA GLU A 23 3.792 5.603 -7.509 1.00 0.00 C ATOM 314 C GLU A 23 4.369 4.656 -6.461 1.00 0.00 C ATOM 315 O GLU A 23 4.265 3.436 -6.588 1.00 0.00 O ATOM 316 CB GLU A 23 4.922 6.383 -8.185 1.00 0.00 C ATOM 317 CG GLU A 23 5.525 5.666 -9.381 1.00 0.00 C ATOM 318 CD GLU A 23 6.579 6.495 -10.088 1.00 0.00 C ATOM 319 OE1 GLU A 23 6.396 7.727 -10.188 1.00 0.00 O ATOM 320 OE2 GLU A 23 7.587 5.914 -10.541 1.00 0.00 O ATOM 0 H GLU A 23 3.183 7.469 -6.771 1.00 0.00 H new ATOM 0 HA GLU A 23 3.269 5.011 -8.260 1.00 0.00 H new ATOM 0 HB2 GLU A 23 4.541 7.352 -8.507 1.00 0.00 H new ATOM 0 HB3 GLU A 23 5.707 6.576 -7.454 1.00 0.00 H new ATOM 0 HG2 GLU A 23 5.968 4.727 -9.051 1.00 0.00 H new ATOM 0 HG3 GLU A 23 4.733 5.414 -10.086 1.00 0.00 H new ATOM 327 N GLU A 24 4.978 5.227 -5.426 1.00 0.00 N ATOM 328 CA GLU A 24 5.573 4.433 -4.358 1.00 0.00 C ATOM 329 C GLU A 24 4.528 3.537 -3.699 1.00 0.00 C ATOM 330 O GLU A 24 4.802 2.383 -3.370 1.00 0.00 O ATOM 331 CB GLU A 24 6.212 5.346 -3.309 1.00 0.00 C ATOM 332 CG GLU A 24 7.366 6.175 -3.847 1.00 0.00 C ATOM 333 CD GLU A 24 8.347 6.582 -2.764 1.00 0.00 C ATOM 334 OE1 GLU A 24 9.264 5.789 -2.467 1.00 0.00 O ATOM 335 OE2 GLU A 24 8.197 7.693 -2.213 1.00 0.00 O ATOM 0 H GLU A 24 5.072 6.235 -5.305 1.00 0.00 H new ATOM 0 HA GLU A 24 6.344 3.800 -4.797 1.00 0.00 H new ATOM 0 HB2 GLU A 24 5.450 6.015 -2.909 1.00 0.00 H new ATOM 0 HB3 GLU A 24 6.569 4.737 -2.478 1.00 0.00 H new ATOM 0 HG2 GLU A 24 7.892 5.605 -4.613 1.00 0.00 H new ATOM 0 HG3 GLU A 24 6.972 7.069 -4.330 1.00 0.00 H new ATOM 342 N VAL A 25 3.329 4.079 -3.508 1.00 0.00 N ATOM 343 CA VAL A 25 2.242 3.330 -2.889 1.00 0.00 C ATOM 344 C VAL A 25 2.032 1.990 -3.585 1.00 0.00 C ATOM 345 O VAL A 25 1.979 0.943 -2.939 1.00 0.00 O ATOM 346 CB VAL A 25 0.923 4.125 -2.921 1.00 0.00 C ATOM 347 CG1 VAL A 25 -0.252 3.225 -2.570 1.00 0.00 C ATOM 348 CG2 VAL A 25 0.996 5.314 -1.976 1.00 0.00 C ATOM 0 H VAL A 25 3.086 5.034 -3.773 1.00 0.00 H new ATOM 0 HA VAL A 25 2.528 3.156 -1.852 1.00 0.00 H new ATOM 0 HB VAL A 25 0.770 4.502 -3.932 1.00 0.00 H new ATOM 0 HG11 VAL A 25 -1.175 3.804 -2.598 1.00 0.00 H new ATOM 0 HG12 VAL A 25 -0.314 2.409 -3.291 1.00 0.00 H new ATOM 0 HG13 VAL A 25 -0.111 2.816 -1.570 1.00 0.00 H new ATOM 0 HG21 VAL A 25 0.056 5.865 -2.011 1.00 0.00 H new ATOM 0 HG22 VAL A 25 1.172 4.961 -0.960 1.00 0.00 H new ATOM 0 HG23 VAL A 25 1.812 5.970 -2.279 1.00 0.00 H new ATOM 358 N VAL A 26 1.912 2.029 -4.909 1.00 0.00 N ATOM 359 CA VAL A 26 1.709 0.817 -5.694 1.00 0.00 C ATOM 360 C VAL A 26 2.963 -0.049 -5.702 1.00 0.00 C ATOM 361 O VAL A 26 2.882 -1.278 -5.721 1.00 0.00 O ATOM 362 CB VAL A 26 1.318 1.149 -7.146 1.00 0.00 C ATOM 363 CG1 VAL A 26 1.226 -0.121 -7.978 1.00 0.00 C ATOM 364 CG2 VAL A 26 0.005 1.916 -7.183 1.00 0.00 C ATOM 0 H VAL A 26 1.952 2.887 -5.460 1.00 0.00 H new ATOM 0 HA VAL A 26 0.895 0.267 -5.223 1.00 0.00 H new ATOM 0 HB VAL A 26 2.094 1.782 -7.577 1.00 0.00 H new ATOM 0 HG11 VAL A 26 0.949 0.133 -9.001 1.00 0.00 H new ATOM 0 HG12 VAL A 26 2.192 -0.626 -7.979 1.00 0.00 H new ATOM 0 HG13 VAL A 26 0.471 -0.782 -7.551 1.00 0.00 H new ATOM 0 HG21 VAL A 26 -0.255 2.142 -8.217 1.00 0.00 H new ATOM 0 HG22 VAL A 26 -0.783 1.311 -6.734 1.00 0.00 H new ATOM 0 HG23 VAL A 26 0.111 2.846 -6.624 1.00 0.00 H new ATOM 374 N LEU A 27 4.123 0.599 -5.686 1.00 0.00 N ATOM 375 CA LEU A 27 5.397 -0.113 -5.691 1.00 0.00 C ATOM 376 C LEU A 27 5.523 -1.011 -4.464 1.00 0.00 C ATOM 377 O LEU A 27 5.820 -2.199 -4.581 1.00 0.00 O ATOM 378 CB LEU A 27 6.558 0.882 -5.732 1.00 0.00 C ATOM 379 CG LEU A 27 7.051 1.281 -7.123 1.00 0.00 C ATOM 380 CD1 LEU A 27 8.230 2.236 -7.018 1.00 0.00 C ATOM 381 CD2 LEU A 27 7.432 0.048 -7.929 1.00 0.00 C ATOM 0 H LEU A 27 4.208 1.615 -5.669 1.00 0.00 H new ATOM 0 HA LEU A 27 5.433 -0.740 -6.582 1.00 0.00 H new ATOM 0 HB2 LEU A 27 6.255 1.785 -5.203 1.00 0.00 H new ATOM 0 HB3 LEU A 27 7.396 0.455 -5.180 1.00 0.00 H new ATOM 0 HG LEU A 27 6.240 1.793 -7.641 1.00 0.00 H new ATOM 0 HD11 LEU A 27 8.567 2.509 -8.018 1.00 0.00 H new ATOM 0 HD12 LEU A 27 7.924 3.134 -6.480 1.00 0.00 H new ATOM 0 HD13 LEU A 27 9.045 1.751 -6.480 1.00 0.00 H new ATOM 0 HD21 LEU A 27 7.780 0.352 -8.916 1.00 0.00 H new ATOM 0 HD22 LEU A 27 8.227 -0.492 -7.414 1.00 0.00 H new ATOM 0 HD23 LEU A 27 6.562 -0.600 -8.035 1.00 0.00 H new ATOM 393 N TRP A 28 5.295 -0.434 -3.290 1.00 0.00 N ATOM 394 CA TRP A 28 5.382 -1.183 -2.041 1.00 0.00 C ATOM 395 C TRP A 28 4.456 -2.394 -2.068 1.00 0.00 C ATOM 396 O TRP A 28 4.817 -3.474 -1.596 1.00 0.00 O ATOM 397 CB TRP A 28 5.029 -0.282 -0.857 1.00 0.00 C ATOM 398 CG TRP A 28 4.631 -1.044 0.371 1.00 0.00 C ATOM 399 CD1 TRP A 28 5.467 -1.593 1.301 1.00 0.00 C ATOM 400 CD2 TRP A 28 3.299 -1.342 0.801 1.00 0.00 C ATOM 401 NE1 TRP A 28 4.734 -2.215 2.283 1.00 0.00 N ATOM 402 CE2 TRP A 28 3.401 -2.074 2.000 1.00 0.00 C ATOM 403 CE3 TRP A 28 2.029 -1.060 0.291 1.00 0.00 C ATOM 404 CZ2 TRP A 28 2.282 -2.528 2.693 1.00 0.00 C ATOM 405 CZ3 TRP A 28 0.919 -1.511 0.980 1.00 0.00 C ATOM 406 CH2 TRP A 28 1.051 -2.237 2.171 1.00 0.00 C ATOM 0 H TRP A 28 5.049 0.549 -3.176 1.00 0.00 H new ATOM 0 HA TRP A 28 6.407 -1.535 -1.927 1.00 0.00 H new ATOM 0 HB2 TRP A 28 5.886 0.350 -0.622 1.00 0.00 H new ATOM 0 HB3 TRP A 28 4.213 0.381 -1.145 1.00 0.00 H new ATOM 0 HD1 TRP A 28 6.545 -1.545 1.269 1.00 0.00 H new ATOM 0 HE1 TRP A 28 5.120 -2.703 3.092 1.00 0.00 H new ATOM 0 HE3 TRP A 28 1.917 -0.500 -0.625 1.00 0.00 H new ATOM 0 HZ2 TRP A 28 2.382 -3.090 3.610 1.00 0.00 H new ATOM 0 HZ3 TRP A 28 -0.067 -1.300 0.594 1.00 0.00 H new ATOM 0 HH2 TRP A 28 0.164 -2.573 2.687 1.00 0.00 H new ATOM 417 N LEU A 29 3.263 -2.210 -2.622 1.00 0.00 N ATOM 418 CA LEU A 29 2.285 -3.289 -2.710 1.00 0.00 C ATOM 419 C LEU A 29 2.692 -4.307 -3.770 1.00 0.00 C ATOM 420 O LEU A 29 2.302 -5.472 -3.707 1.00 0.00 O ATOM 421 CB LEU A 29 0.901 -2.724 -3.034 1.00 0.00 C ATOM 422 CG LEU A 29 -0.163 -3.745 -3.439 1.00 0.00 C ATOM 423 CD1 LEU A 29 -0.805 -4.364 -2.207 1.00 0.00 C ATOM 424 CD2 LEU A 29 -1.217 -3.095 -4.323 1.00 0.00 C ATOM 0 H LEU A 29 2.949 -1.324 -3.017 1.00 0.00 H new ATOM 0 HA LEU A 29 2.248 -3.793 -1.744 1.00 0.00 H new ATOM 0 HB2 LEU A 29 0.540 -2.179 -2.162 1.00 0.00 H new ATOM 0 HB3 LEU A 29 1.006 -1.999 -3.841 1.00 0.00 H new ATOM 0 HG LEU A 29 0.320 -4.539 -4.009 1.00 0.00 H new ATOM 0 HD11 LEU A 29 -1.560 -5.088 -2.515 1.00 0.00 H new ATOM 0 HD12 LEU A 29 -0.042 -4.866 -1.612 1.00 0.00 H new ATOM 0 HD13 LEU A 29 -1.274 -3.582 -1.610 1.00 0.00 H new ATOM 0 HD21 LEU A 29 -1.966 -3.836 -4.601 1.00 0.00 H new ATOM 0 HD22 LEU A 29 -1.697 -2.281 -3.779 1.00 0.00 H new ATOM 0 HD23 LEU A 29 -0.745 -2.701 -5.223 1.00 0.00 H new ATOM 436 N GLU A 30 3.480 -3.859 -4.743 1.00 0.00 N ATOM 437 CA GLU A 30 3.941 -4.732 -5.816 1.00 0.00 C ATOM 438 C GLU A 30 5.095 -5.612 -5.343 1.00 0.00 C ATOM 439 O GLU A 30 5.727 -6.304 -6.141 1.00 0.00 O ATOM 440 CB GLU A 30 4.379 -3.904 -7.025 1.00 0.00 C ATOM 441 CG GLU A 30 3.247 -3.585 -7.987 1.00 0.00 C ATOM 442 CD GLU A 30 3.746 -3.131 -9.345 1.00 0.00 C ATOM 443 OE1 GLU A 30 4.078 -1.936 -9.485 1.00 0.00 O ATOM 444 OE2 GLU A 30 3.803 -3.971 -10.268 1.00 0.00 O ATOM 0 H GLU A 30 3.812 -2.897 -4.810 1.00 0.00 H new ATOM 0 HA GLU A 30 3.111 -5.376 -6.108 1.00 0.00 H new ATOM 0 HB2 GLU A 30 4.821 -2.971 -6.675 1.00 0.00 H new ATOM 0 HB3 GLU A 30 5.159 -4.444 -7.561 1.00 0.00 H new ATOM 0 HG2 GLU A 30 2.621 -4.468 -8.111 1.00 0.00 H new ATOM 0 HG3 GLU A 30 2.618 -2.806 -7.556 1.00 0.00 H new ATOM 451 N GLN A 31 5.362 -5.579 -4.042 1.00 0.00 N ATOM 452 CA GLN A 31 6.440 -6.373 -3.463 1.00 0.00 C ATOM 453 C GLN A 31 5.885 -7.468 -2.559 1.00 0.00 C ATOM 454 O GLN A 31 6.535 -8.489 -2.332 1.00 0.00 O ATOM 455 CB GLN A 31 7.393 -5.476 -2.672 1.00 0.00 C ATOM 456 CG GLN A 31 8.332 -4.663 -3.548 1.00 0.00 C ATOM 457 CD GLN A 31 9.092 -3.608 -2.768 1.00 0.00 C ATOM 458 OE1 GLN A 31 8.528 -2.408 -2.692 1.00 0.00 O flip ATOM 459 NE2 GLN A 31 10.173 -3.868 -2.241 1.00 0.00 N flip ATOM 0 H GLN A 31 4.847 -5.011 -3.369 1.00 0.00 H new ATOM 0 HA GLN A 31 6.989 -6.845 -4.278 1.00 0.00 H new ATOM 0 HB2 GLN A 31 6.808 -4.796 -2.052 1.00 0.00 H new ATOM 0 HB3 GLN A 31 7.984 -6.095 -1.997 1.00 0.00 H new ATOM 0 HG2 GLN A 31 9.042 -5.333 -4.032 1.00 0.00 H new ATOM 0 HG3 GLN A 31 7.758 -4.181 -4.339 1.00 0.00 H new ATOM 0 HE21 GLN A 31 10.569 -4.804 -2.325 1.00 0.00 H new ATOM 0 HE22 GLN A 31 10.673 -3.147 -1.720 1.00 0.00 H new ATOM 468 N LEU A 32 4.680 -7.249 -2.045 1.00 0.00 N ATOM 469 CA LEU A 32 4.036 -8.218 -1.164 1.00 0.00 C ATOM 470 C LEU A 32 3.664 -9.485 -1.928 1.00 0.00 C ATOM 471 O LEU A 32 3.602 -10.572 -1.355 1.00 0.00 O ATOM 472 CB LEU A 32 2.787 -7.607 -0.527 1.00 0.00 C ATOM 473 CG LEU A 32 2.880 -6.128 -0.153 1.00 0.00 C ATOM 474 CD1 LEU A 32 1.650 -5.697 0.632 1.00 0.00 C ATOM 475 CD2 LEU A 32 4.146 -5.858 0.648 1.00 0.00 C ATOM 0 H LEU A 32 4.129 -6.409 -2.223 1.00 0.00 H new ATOM 0 HA LEU A 32 4.743 -8.484 -0.378 1.00 0.00 H new ATOM 0 HB2 LEU A 32 1.952 -7.735 -1.216 1.00 0.00 H new ATOM 0 HB3 LEU A 32 2.548 -8.174 0.372 1.00 0.00 H new ATOM 0 HG LEU A 32 2.923 -5.544 -1.072 1.00 0.00 H new ATOM 0 HD11 LEU A 32 1.734 -4.641 0.889 1.00 0.00 H new ATOM 0 HD12 LEU A 32 0.758 -5.853 0.025 1.00 0.00 H new ATOM 0 HD13 LEU A 32 1.575 -6.288 1.545 1.00 0.00 H new ATOM 0 HD21 LEU A 32 4.195 -4.800 0.905 1.00 0.00 H new ATOM 0 HD22 LEU A 32 4.133 -6.453 1.561 1.00 0.00 H new ATOM 0 HD23 LEU A 32 5.018 -6.127 0.052 1.00 0.00 H new ATOM 487 N GLY A 33 3.418 -9.337 -3.226 1.00 0.00 N ATOM 488 CA GLY A 33 3.057 -10.477 -4.048 1.00 0.00 C ATOM 489 C GLY A 33 2.752 -10.086 -5.480 1.00 0.00 C ATOM 490 O GLY A 33 2.515 -8.919 -5.791 1.00 0.00 O ATOM 0 H GLY A 33 3.462 -8.447 -3.723 1.00 0.00 H new ATOM 0 HA2 GLY A 33 3.872 -11.201 -4.038 1.00 0.00 H new ATOM 0 HA3 GLY A 33 2.187 -10.971 -3.616 1.00 0.00 H new ATOM 494 N PRO A 34 2.759 -11.079 -6.382 1.00 0.00 N ATOM 495 CA PRO A 34 2.485 -10.857 -7.805 1.00 0.00 C ATOM 496 C PRO A 34 1.026 -10.498 -8.065 1.00 0.00 C ATOM 497 O PRO A 34 0.688 -9.956 -9.118 1.00 0.00 O ATOM 498 CB PRO A 34 2.827 -12.204 -8.447 1.00 0.00 C ATOM 499 CG PRO A 34 2.649 -13.200 -7.353 1.00 0.00 C ATOM 500 CD PRO A 34 3.034 -12.494 -6.083 1.00 0.00 C ATOM 0 HA PRO A 34 3.059 -10.021 -8.205 1.00 0.00 H new ATOM 0 HB2 PRO A 34 2.170 -12.419 -9.290 1.00 0.00 H new ATOM 0 HB3 PRO A 34 3.848 -12.213 -8.829 1.00 0.00 H new ATOM 0 HG2 PRO A 34 1.618 -13.550 -7.308 1.00 0.00 H new ATOM 0 HG3 PRO A 34 3.276 -14.076 -7.518 1.00 0.00 H new ATOM 0 HD2 PRO A 34 2.448 -12.846 -5.234 1.00 0.00 H new ATOM 0 HD3 PRO A 34 4.083 -12.656 -5.836 1.00 0.00 H new ATOM 508 N TRP A 35 0.166 -10.803 -7.101 1.00 0.00 N ATOM 509 CA TRP A 35 -1.258 -10.512 -7.226 1.00 0.00 C ATOM 510 C TRP A 35 -1.524 -9.019 -7.066 1.00 0.00 C ATOM 511 O TRP A 35 -2.614 -8.537 -7.374 1.00 0.00 O ATOM 512 CB TRP A 35 -2.054 -11.298 -6.184 1.00 0.00 C ATOM 513 CG TRP A 35 -1.471 -11.218 -4.805 1.00 0.00 C ATOM 514 CD1 TRP A 35 -0.856 -12.223 -4.115 1.00 0.00 C ATOM 515 CD2 TRP A 35 -1.450 -10.070 -3.950 1.00 0.00 C ATOM 516 NE1 TRP A 35 -0.455 -11.769 -2.882 1.00 0.00 N ATOM 517 CE2 TRP A 35 -0.806 -10.451 -2.756 1.00 0.00 C ATOM 518 CE3 TRP A 35 -1.911 -8.756 -4.076 1.00 0.00 C ATOM 519 CZ2 TRP A 35 -0.614 -9.566 -1.699 1.00 0.00 C ATOM 520 CZ3 TRP A 35 -1.719 -7.880 -3.025 1.00 0.00 C ATOM 521 CH2 TRP A 35 -1.075 -8.287 -1.850 1.00 0.00 C ATOM 0 H TRP A 35 0.429 -11.252 -6.224 1.00 0.00 H new ATOM 0 HA TRP A 35 -1.579 -10.815 -8.223 1.00 0.00 H new ATOM 0 HB2 TRP A 35 -3.077 -10.923 -6.160 1.00 0.00 H new ATOM 0 HB3 TRP A 35 -2.105 -12.343 -6.489 1.00 0.00 H new ATOM 0 HD1 TRP A 35 -0.707 -13.227 -4.484 1.00 0.00 H new ATOM 0 HE1 TRP A 35 0.026 -12.324 -2.174 1.00 0.00 H new ATOM 0 HE3 TRP A 35 -2.408 -8.432 -4.978 1.00 0.00 H new ATOM 0 HZ2 TRP A 35 -0.118 -9.878 -0.792 1.00 0.00 H new ATOM 0 HZ3 TRP A 35 -2.072 -6.863 -3.111 1.00 0.00 H new ATOM 0 HH2 TRP A 35 -0.940 -7.577 -1.047 1.00 0.00 H new ATOM 532 N ALA A 36 -0.522 -8.291 -6.584 1.00 0.00 N ATOM 533 CA ALA A 36 -0.648 -6.853 -6.387 1.00 0.00 C ATOM 534 C ALA A 36 -1.027 -6.151 -7.687 1.00 0.00 C ATOM 535 O ALA A 36 -1.832 -5.220 -7.689 1.00 0.00 O ATOM 536 CB ALA A 36 0.649 -6.280 -5.834 1.00 0.00 C ATOM 0 H ALA A 36 0.386 -8.674 -6.323 1.00 0.00 H new ATOM 0 HA ALA A 36 -1.446 -6.679 -5.665 1.00 0.00 H new ATOM 0 HB1 ALA A 36 0.540 -5.205 -5.692 1.00 0.00 H new ATOM 0 HB2 ALA A 36 0.876 -6.751 -4.878 1.00 0.00 H new ATOM 0 HB3 ALA A 36 1.460 -6.473 -6.536 1.00 0.00 H new ATOM 542 N SER A 37 -0.440 -6.603 -8.790 1.00 0.00 N ATOM 543 CA SER A 37 -0.713 -6.015 -10.097 1.00 0.00 C ATOM 544 C SER A 37 -2.181 -6.187 -10.474 1.00 0.00 C ATOM 545 O SER A 37 -2.657 -5.601 -11.447 1.00 0.00 O ATOM 546 CB SER A 37 0.178 -6.655 -11.163 1.00 0.00 C ATOM 547 OG SER A 37 0.096 -5.947 -12.388 1.00 0.00 O ATOM 0 H SER A 37 0.227 -7.374 -8.805 1.00 0.00 H new ATOM 0 HA SER A 37 -0.493 -4.949 -10.042 1.00 0.00 H new ATOM 0 HB2 SER A 37 1.211 -6.670 -10.817 1.00 0.00 H new ATOM 0 HB3 SER A 37 -0.122 -7.692 -11.318 1.00 0.00 H new ATOM 0 HG SER A 37 -0.803 -5.570 -12.489 1.00 0.00 H new ATOM 553 N LEU A 38 -2.894 -6.996 -9.697 1.00 0.00 N ATOM 554 CA LEU A 38 -4.309 -7.247 -9.949 1.00 0.00 C ATOM 555 C LEU A 38 -5.176 -6.176 -9.294 1.00 0.00 C ATOM 556 O LEU A 38 -6.365 -6.059 -9.591 1.00 0.00 O ATOM 557 CB LEU A 38 -4.703 -8.629 -9.425 1.00 0.00 C ATOM 558 CG LEU A 38 -3.907 -9.809 -9.981 1.00 0.00 C ATOM 559 CD1 LEU A 38 -4.253 -11.087 -9.233 1.00 0.00 C ATOM 560 CD2 LEU A 38 -4.169 -9.975 -11.471 1.00 0.00 C ATOM 0 H LEU A 38 -2.516 -7.489 -8.888 1.00 0.00 H new ATOM 0 HA LEU A 38 -4.473 -7.213 -11.026 1.00 0.00 H new ATOM 0 HB2 LEU A 38 -4.601 -8.627 -8.340 1.00 0.00 H new ATOM 0 HB3 LEU A 38 -5.758 -8.792 -9.646 1.00 0.00 H new ATOM 0 HG LEU A 38 -2.846 -9.605 -9.839 1.00 0.00 H new ATOM 0 HD11 LEU A 38 -3.676 -11.916 -9.643 1.00 0.00 H new ATOM 0 HD12 LEU A 38 -4.014 -10.966 -8.176 1.00 0.00 H new ATOM 0 HD13 LEU A 38 -5.317 -11.296 -9.343 1.00 0.00 H new ATOM 0 HD21 LEU A 38 -3.594 -10.820 -11.850 1.00 0.00 H new ATOM 0 HD22 LEU A 38 -5.231 -10.156 -11.636 1.00 0.00 H new ATOM 0 HD23 LEU A 38 -3.870 -9.068 -11.996 1.00 0.00 H new ATOM 572 N TYR A 39 -4.573 -5.396 -8.405 1.00 0.00 N ATOM 573 CA TYR A 39 -5.290 -4.334 -7.708 1.00 0.00 C ATOM 574 C TYR A 39 -4.649 -2.976 -7.977 1.00 0.00 C ATOM 575 O TYR A 39 -5.318 -1.943 -7.940 1.00 0.00 O ATOM 576 CB TYR A 39 -5.315 -4.609 -6.204 1.00 0.00 C ATOM 577 CG TYR A 39 -5.724 -6.022 -5.853 1.00 0.00 C ATOM 578 CD1 TYR A 39 -4.822 -7.074 -5.960 1.00 0.00 C ATOM 579 CD2 TYR A 39 -7.012 -6.307 -5.417 1.00 0.00 C ATOM 580 CE1 TYR A 39 -5.190 -8.367 -5.642 1.00 0.00 C ATOM 581 CE2 TYR A 39 -7.389 -7.596 -5.095 1.00 0.00 C ATOM 582 CZ TYR A 39 -6.475 -8.623 -5.210 1.00 0.00 C ATOM 583 OH TYR A 39 -6.847 -9.909 -4.891 1.00 0.00 O ATOM 0 H TYR A 39 -3.589 -5.479 -8.149 1.00 0.00 H new ATOM 0 HA TYR A 39 -6.313 -4.314 -8.084 1.00 0.00 H new ATOM 0 HB2 TYR A 39 -4.326 -4.413 -5.791 1.00 0.00 H new ATOM 0 HB3 TYR A 39 -6.003 -3.911 -5.727 1.00 0.00 H new ATOM 0 HD1 TYR A 39 -3.815 -6.877 -6.298 1.00 0.00 H new ATOM 0 HD2 TYR A 39 -7.731 -5.506 -5.328 1.00 0.00 H new ATOM 0 HE1 TYR A 39 -4.476 -9.173 -5.731 1.00 0.00 H new ATOM 0 HE2 TYR A 39 -8.394 -7.799 -4.755 1.00 0.00 H new ATOM 0 HH TYR A 39 -7.784 -9.917 -4.603 1.00 0.00 H new ATOM 593 N ARG A 40 -3.348 -2.987 -8.249 1.00 0.00 N ATOM 594 CA ARG A 40 -2.615 -1.757 -8.524 1.00 0.00 C ATOM 595 C ARG A 40 -3.451 -0.804 -9.374 1.00 0.00 C ATOM 596 O ARG A 40 -3.358 0.415 -9.231 1.00 0.00 O ATOM 597 CB ARG A 40 -1.298 -2.071 -9.237 1.00 0.00 C ATOM 598 CG ARG A 40 -1.459 -2.332 -10.725 1.00 0.00 C ATOM 599 CD ARG A 40 -0.146 -2.764 -11.360 1.00 0.00 C ATOM 600 NE ARG A 40 0.626 -1.624 -11.848 1.00 0.00 N ATOM 601 CZ ARG A 40 1.618 -1.731 -12.726 1.00 0.00 C ATOM 602 NH1 ARG A 40 1.955 -2.919 -13.209 1.00 0.00 N ATOM 603 NH2 ARG A 40 2.273 -0.648 -13.122 1.00 0.00 N ATOM 0 H ARG A 40 -2.780 -3.834 -8.285 1.00 0.00 H new ATOM 0 HA ARG A 40 -2.398 -1.273 -7.572 1.00 0.00 H new ATOM 0 HB2 ARG A 40 -0.610 -1.237 -9.095 1.00 0.00 H new ATOM 0 HB3 ARG A 40 -0.841 -2.944 -8.771 1.00 0.00 H new ATOM 0 HG2 ARG A 40 -2.211 -3.105 -10.881 1.00 0.00 H new ATOM 0 HG3 ARG A 40 -1.823 -1.430 -11.217 1.00 0.00 H new ATOM 0 HD2 ARG A 40 0.445 -3.317 -10.630 1.00 0.00 H new ATOM 0 HD3 ARG A 40 -0.350 -3.445 -12.187 1.00 0.00 H new ATOM 0 HE ARG A 40 0.391 -0.696 -11.496 1.00 0.00 H new ATOM 0 HH11 ARG A 40 1.452 -3.754 -12.907 1.00 0.00 H new ATOM 0 HH12 ARG A 40 2.717 -2.998 -13.883 1.00 0.00 H new ATOM 0 HH21 ARG A 40 2.015 0.267 -12.753 1.00 0.00 H new ATOM 0 HH22 ARG A 40 3.034 -0.730 -13.796 1.00 0.00 H new ATOM 617 N ASP A 41 -4.266 -1.369 -10.257 1.00 0.00 N ATOM 618 CA ASP A 41 -5.119 -0.570 -11.130 1.00 0.00 C ATOM 619 C ASP A 41 -6.013 0.359 -10.314 1.00 0.00 C ATOM 620 O ASP A 41 -6.153 1.539 -10.633 1.00 0.00 O ATOM 621 CB ASP A 41 -5.977 -1.479 -12.012 1.00 0.00 C ATOM 622 CG ASP A 41 -5.217 -2.698 -12.498 1.00 0.00 C ATOM 623 OD1 ASP A 41 -4.104 -2.526 -13.038 1.00 0.00 O ATOM 624 OD2 ASP A 41 -5.736 -3.822 -12.339 1.00 0.00 O ATOM 0 H ASP A 41 -4.355 -2.377 -10.388 1.00 0.00 H new ATOM 0 HA ASP A 41 -4.477 0.039 -11.766 1.00 0.00 H new ATOM 0 HB2 ASP A 41 -6.855 -1.801 -11.452 1.00 0.00 H new ATOM 0 HB3 ASP A 41 -6.337 -0.913 -12.871 1.00 0.00 H new ATOM 629 N ARG A 42 -6.617 -0.183 -9.261 1.00 0.00 N ATOM 630 CA ARG A 42 -7.499 0.596 -8.402 1.00 0.00 C ATOM 631 C ARG A 42 -6.716 1.665 -7.645 1.00 0.00 C ATOM 632 O ARG A 42 -7.250 2.725 -7.318 1.00 0.00 O ATOM 633 CB ARG A 42 -8.221 -0.320 -7.411 1.00 0.00 C ATOM 634 CG ARG A 42 -8.742 -1.603 -8.037 1.00 0.00 C ATOM 635 CD ARG A 42 -9.537 -2.428 -7.036 1.00 0.00 C ATOM 636 NE ARG A 42 -8.676 -3.057 -6.038 1.00 0.00 N ATOM 637 CZ ARG A 42 -8.261 -2.444 -4.935 1.00 0.00 C ATOM 638 NH1 ARG A 42 -8.626 -1.193 -4.690 1.00 0.00 N ATOM 639 NH2 ARG A 42 -7.479 -3.083 -4.074 1.00 0.00 N ATOM 0 H ARG A 42 -6.511 -1.159 -8.983 1.00 0.00 H new ATOM 0 HA ARG A 42 -8.237 1.090 -9.034 1.00 0.00 H new ATOM 0 HB2 ARG A 42 -7.539 -0.573 -6.599 1.00 0.00 H new ATOM 0 HB3 ARG A 42 -9.056 0.224 -6.968 1.00 0.00 H new ATOM 0 HG2 ARG A 42 -9.372 -1.362 -8.893 1.00 0.00 H new ATOM 0 HG3 ARG A 42 -7.905 -2.192 -8.413 1.00 0.00 H new ATOM 0 HD2 ARG A 42 -10.264 -1.789 -6.536 1.00 0.00 H new ATOM 0 HD3 ARG A 42 -10.100 -3.197 -7.566 1.00 0.00 H new ATOM 0 HE ARG A 42 -8.377 -4.019 -6.197 1.00 0.00 H new ATOM 0 HH11 ARG A 42 -9.227 -0.699 -5.349 1.00 0.00 H new ATOM 0 HH12 ARG A 42 -8.306 -0.725 -3.842 1.00 0.00 H new ATOM 0 HH21 ARG A 42 -7.196 -4.045 -4.259 1.00 0.00 H new ATOM 0 HH22 ARG A 42 -7.161 -2.612 -3.227 1.00 0.00 H new ATOM 653 N PHE A 43 -5.448 1.378 -7.370 1.00 0.00 N ATOM 654 CA PHE A 43 -4.592 2.314 -6.651 1.00 0.00 C ATOM 655 C PHE A 43 -4.239 3.512 -7.527 1.00 0.00 C ATOM 656 O PHE A 43 -4.413 4.663 -7.124 1.00 0.00 O ATOM 657 CB PHE A 43 -3.313 1.614 -6.186 1.00 0.00 C ATOM 658 CG PHE A 43 -3.531 0.663 -5.044 1.00 0.00 C ATOM 659 CD1 PHE A 43 -4.231 -0.518 -5.233 1.00 0.00 C ATOM 660 CD2 PHE A 43 -3.037 0.949 -3.782 1.00 0.00 C ATOM 661 CE1 PHE A 43 -4.434 -1.395 -4.184 1.00 0.00 C ATOM 662 CE2 PHE A 43 -3.237 0.076 -2.729 1.00 0.00 C ATOM 663 CZ PHE A 43 -3.935 -1.098 -2.931 1.00 0.00 C ATOM 0 H PHE A 43 -4.991 0.505 -7.634 1.00 0.00 H new ATOM 0 HA PHE A 43 -5.140 2.672 -5.780 1.00 0.00 H new ATOM 0 HB2 PHE A 43 -2.881 1.068 -7.025 1.00 0.00 H new ATOM 0 HB3 PHE A 43 -2.584 2.367 -5.887 1.00 0.00 H new ATOM 0 HD1 PHE A 43 -4.622 -0.756 -6.211 1.00 0.00 H new ATOM 0 HD2 PHE A 43 -2.489 1.865 -3.619 1.00 0.00 H new ATOM 0 HE1 PHE A 43 -4.982 -2.312 -4.344 1.00 0.00 H new ATOM 0 HE2 PHE A 43 -2.848 0.312 -1.750 1.00 0.00 H new ATOM 0 HZ PHE A 43 -4.090 -1.783 -2.111 1.00 0.00 H new ATOM 673 N LEU A 44 -3.742 3.234 -8.727 1.00 0.00 N ATOM 674 CA LEU A 44 -3.364 4.288 -9.662 1.00 0.00 C ATOM 675 C LEU A 44 -4.577 5.122 -10.062 1.00 0.00 C ATOM 676 O LEU A 44 -4.584 6.343 -9.904 1.00 0.00 O ATOM 677 CB LEU A 44 -2.713 3.684 -10.907 1.00 0.00 C ATOM 678 CG LEU A 44 -1.278 3.183 -10.738 1.00 0.00 C ATOM 679 CD1 LEU A 44 -0.440 4.208 -9.989 1.00 0.00 C ATOM 680 CD2 LEU A 44 -1.262 1.846 -10.012 1.00 0.00 C ATOM 0 H LEU A 44 -3.591 2.287 -9.076 1.00 0.00 H new ATOM 0 HA LEU A 44 -2.646 4.940 -9.165 1.00 0.00 H new ATOM 0 HB2 LEU A 44 -3.329 2.852 -11.247 1.00 0.00 H new ATOM 0 HB3 LEU A 44 -2.724 4.434 -11.698 1.00 0.00 H new ATOM 0 HG LEU A 44 -0.844 3.042 -11.728 1.00 0.00 H new ATOM 0 HD11 LEU A 44 0.578 3.835 -9.878 1.00 0.00 H new ATOM 0 HD12 LEU A 44 -0.424 5.144 -10.548 1.00 0.00 H new ATOM 0 HD13 LEU A 44 -0.872 4.381 -9.004 1.00 0.00 H new ATOM 0 HD21 LEU A 44 -0.233 1.505 -9.901 1.00 0.00 H new ATOM 0 HD22 LEU A 44 -1.715 1.961 -9.027 1.00 0.00 H new ATOM 0 HD23 LEU A 44 -1.827 1.113 -10.587 1.00 0.00 H new ATOM 692 N SER A 45 -5.603 4.454 -10.580 1.00 0.00 N ATOM 693 CA SER A 45 -6.821 5.133 -11.005 1.00 0.00 C ATOM 694 C SER A 45 -7.343 6.051 -9.904 1.00 0.00 C ATOM 695 O SER A 45 -7.656 7.216 -10.149 1.00 0.00 O ATOM 696 CB SER A 45 -7.894 4.111 -11.385 1.00 0.00 C ATOM 697 OG SER A 45 -8.782 4.640 -12.355 1.00 0.00 O ATOM 0 H SER A 45 -5.615 3.443 -10.715 1.00 0.00 H new ATOM 0 HA SER A 45 -6.583 5.741 -11.878 1.00 0.00 H new ATOM 0 HB2 SER A 45 -7.420 3.210 -11.774 1.00 0.00 H new ATOM 0 HB3 SER A 45 -8.453 3.819 -10.496 1.00 0.00 H new ATOM 0 HG SER A 45 -9.457 3.967 -12.582 1.00 0.00 H new ATOM 703 N GLU A 46 -7.435 5.516 -8.690 1.00 0.00 N ATOM 704 CA GLU A 46 -7.921 6.287 -7.552 1.00 0.00 C ATOM 705 C GLU A 46 -6.808 7.150 -6.965 1.00 0.00 C ATOM 706 O GLU A 46 -6.921 7.651 -5.846 1.00 0.00 O ATOM 707 CB GLU A 46 -8.477 5.352 -6.475 1.00 0.00 C ATOM 708 CG GLU A 46 -9.771 4.663 -6.878 1.00 0.00 C ATOM 709 CD GLU A 46 -10.908 5.641 -7.099 1.00 0.00 C ATOM 710 OE1 GLU A 46 -11.060 6.571 -6.280 1.00 0.00 O ATOM 711 OE2 GLU A 46 -11.647 5.475 -8.093 1.00 0.00 O ATOM 0 H GLU A 46 -7.180 4.553 -8.470 1.00 0.00 H new ATOM 0 HA GLU A 46 -8.719 6.942 -7.903 1.00 0.00 H new ATOM 0 HB2 GLU A 46 -7.729 4.594 -6.242 1.00 0.00 H new ATOM 0 HB3 GLU A 46 -8.648 5.923 -5.562 1.00 0.00 H new ATOM 0 HG2 GLU A 46 -9.605 4.092 -7.792 1.00 0.00 H new ATOM 0 HG3 GLU A 46 -10.055 3.950 -6.104 1.00 0.00 H new ATOM 718 N ARG A 47 -5.732 7.318 -7.727 1.00 0.00 N ATOM 719 CA ARG A 47 -4.598 8.118 -7.283 1.00 0.00 C ATOM 720 C ARG A 47 -4.386 7.973 -5.779 1.00 0.00 C ATOM 721 O ARG A 47 -4.140 8.955 -5.078 1.00 0.00 O ATOM 722 CB ARG A 47 -4.815 9.590 -7.639 1.00 0.00 C ATOM 723 CG ARG A 47 -4.939 9.844 -9.132 1.00 0.00 C ATOM 724 CD ARG A 47 -3.577 9.863 -9.809 1.00 0.00 C ATOM 725 NE ARG A 47 -2.934 11.171 -9.709 1.00 0.00 N ATOM 726 CZ ARG A 47 -3.258 12.209 -10.472 1.00 0.00 C ATOM 727 NH1 ARG A 47 -4.212 12.093 -11.386 1.00 0.00 N ATOM 728 NH2 ARG A 47 -2.627 13.367 -10.321 1.00 0.00 N ATOM 0 H ARG A 47 -5.622 6.910 -8.655 1.00 0.00 H new ATOM 0 HA ARG A 47 -3.707 7.755 -7.795 1.00 0.00 H new ATOM 0 HB2 ARG A 47 -5.718 9.946 -7.142 1.00 0.00 H new ATOM 0 HB3 ARG A 47 -3.984 10.176 -7.247 1.00 0.00 H new ATOM 0 HG2 ARG A 47 -5.560 9.070 -9.583 1.00 0.00 H new ATOM 0 HG3 ARG A 47 -5.443 10.796 -9.300 1.00 0.00 H new ATOM 0 HD2 ARG A 47 -2.936 9.108 -9.354 1.00 0.00 H new ATOM 0 HD3 ARG A 47 -3.690 9.594 -10.859 1.00 0.00 H new ATOM 0 HE ARG A 47 -2.196 11.294 -9.016 1.00 0.00 H new ATOM 0 HH11 ARG A 47 -4.699 11.205 -11.505 1.00 0.00 H new ATOM 0 HH12 ARG A 47 -4.458 12.892 -11.970 1.00 0.00 H new ATOM 0 HH21 ARG A 47 -1.893 13.460 -9.619 1.00 0.00 H new ATOM 0 HH22 ARG A 47 -2.876 14.164 -10.907 1.00 0.00 H new ATOM 742 N VAL A 48 -4.483 6.741 -5.289 1.00 0.00 N ATOM 743 CA VAL A 48 -4.302 6.467 -3.869 1.00 0.00 C ATOM 744 C VAL A 48 -2.854 6.693 -3.446 1.00 0.00 C ATOM 745 O VAL A 48 -1.974 5.893 -3.759 1.00 0.00 O ATOM 746 CB VAL A 48 -4.708 5.023 -3.519 1.00 0.00 C ATOM 747 CG1 VAL A 48 -4.542 4.767 -2.029 1.00 0.00 C ATOM 748 CG2 VAL A 48 -6.139 4.751 -3.959 1.00 0.00 C ATOM 0 H VAL A 48 -4.686 5.917 -5.855 1.00 0.00 H new ATOM 0 HA VAL A 48 -4.948 7.159 -3.329 1.00 0.00 H new ATOM 0 HB VAL A 48 -4.050 4.339 -4.056 1.00 0.00 H new ATOM 0 HG11 VAL A 48 -4.834 3.742 -1.801 1.00 0.00 H new ATOM 0 HG12 VAL A 48 -3.500 4.919 -1.748 1.00 0.00 H new ATOM 0 HG13 VAL A 48 -5.173 5.457 -1.469 1.00 0.00 H new ATOM 0 HG21 VAL A 48 -6.409 3.726 -3.704 1.00 0.00 H new ATOM 0 HG22 VAL A 48 -6.813 5.441 -3.452 1.00 0.00 H new ATOM 0 HG23 VAL A 48 -6.221 4.890 -5.037 1.00 0.00 H new ATOM 758 N ASN A 49 -2.616 7.788 -2.731 1.00 0.00 N ATOM 759 CA ASN A 49 -1.275 8.119 -2.265 1.00 0.00 C ATOM 760 C ASN A 49 -1.039 7.578 -0.858 1.00 0.00 C ATOM 761 O ASN A 49 -1.963 7.100 -0.202 1.00 0.00 O ATOM 762 CB ASN A 49 -1.067 9.635 -2.282 1.00 0.00 C ATOM 763 CG ASN A 49 -1.911 10.346 -1.241 1.00 0.00 C ATOM 764 OD1 ASN A 49 -3.120 10.134 -1.157 1.00 0.00 O ATOM 765 ND2 ASN A 49 -1.274 11.195 -0.443 1.00 0.00 N ATOM 0 H ASN A 49 -3.334 8.461 -2.462 1.00 0.00 H new ATOM 0 HA ASN A 49 -0.557 7.652 -2.940 1.00 0.00 H new ATOM 0 HB2 ASN A 49 -0.014 9.857 -2.106 1.00 0.00 H new ATOM 0 HB3 ASN A 49 -1.313 10.022 -3.271 1.00 0.00 H new ATOM 0 HD21 ASN A 49 -1.789 11.703 0.276 1.00 0.00 H new ATOM 0 HD22 ASN A 49 -0.270 11.339 -0.549 1.00 0.00 H new ATOM 772 N GLY A 50 0.208 7.656 -0.401 1.00 0.00 N ATOM 773 CA GLY A 50 0.543 7.171 0.925 1.00 0.00 C ATOM 774 C GLY A 50 -0.380 7.720 1.994 1.00 0.00 C ATOM 775 O GLY A 50 -1.057 6.962 2.689 1.00 0.00 O ATOM 0 H GLY A 50 0.991 8.046 -0.925 1.00 0.00 H new ATOM 0 HA2 GLY A 50 0.496 6.082 0.933 1.00 0.00 H new ATOM 0 HA3 GLY A 50 1.571 7.447 1.160 1.00 0.00 H new ATOM 779 N ARG A 51 -0.408 9.042 2.128 1.00 0.00 N ATOM 780 CA ARG A 51 -1.253 9.692 3.123 1.00 0.00 C ATOM 781 C ARG A 51 -2.648 9.075 3.137 1.00 0.00 C ATOM 782 O ARG A 51 -3.278 8.961 4.189 1.00 0.00 O ATOM 783 CB ARG A 51 -1.349 11.192 2.840 1.00 0.00 C ATOM 784 CG ARG A 51 -1.619 12.030 4.079 1.00 0.00 C ATOM 785 CD ARG A 51 -3.070 11.922 4.519 1.00 0.00 C ATOM 786 NE ARG A 51 -3.516 13.117 5.230 1.00 0.00 N ATOM 787 CZ ARG A 51 -4.792 13.390 5.481 1.00 0.00 C ATOM 788 NH1 ARG A 51 -5.743 12.557 5.081 1.00 0.00 N ATOM 789 NH2 ARG A 51 -5.119 14.498 6.134 1.00 0.00 N ATOM 0 H ARG A 51 0.145 9.684 1.560 1.00 0.00 H new ATOM 0 HA ARG A 51 -0.799 9.543 4.103 1.00 0.00 H new ATOM 0 HB2 ARG A 51 -0.419 11.527 2.381 1.00 0.00 H new ATOM 0 HB3 ARG A 51 -2.143 11.366 2.114 1.00 0.00 H new ATOM 0 HG2 ARG A 51 -0.967 11.704 4.889 1.00 0.00 H new ATOM 0 HG3 ARG A 51 -1.376 13.073 3.874 1.00 0.00 H new ATOM 0 HD2 ARG A 51 -3.703 11.762 3.646 1.00 0.00 H new ATOM 0 HD3 ARG A 51 -3.190 11.051 5.163 1.00 0.00 H new ATOM 0 HE ARG A 51 -2.809 13.778 5.552 1.00 0.00 H new ATOM 0 HH11 ARG A 51 -5.496 11.704 4.579 1.00 0.00 H new ATOM 0 HH12 ARG A 51 -6.722 12.769 5.275 1.00 0.00 H new ATOM 0 HH21 ARG A 51 -4.391 15.141 6.444 1.00 0.00 H new ATOM 0 HH22 ARG A 51 -6.099 14.706 6.326 1.00 0.00 H new ATOM 803 N LEU A 52 -3.126 8.680 1.962 1.00 0.00 N ATOM 804 CA LEU A 52 -4.448 8.075 1.838 1.00 0.00 C ATOM 805 C LEU A 52 -4.407 6.596 2.207 1.00 0.00 C ATOM 806 O LEU A 52 -5.367 6.055 2.756 1.00 0.00 O ATOM 807 CB LEU A 52 -4.975 8.242 0.412 1.00 0.00 C ATOM 808 CG LEU A 52 -6.278 7.510 0.088 1.00 0.00 C ATOM 809 CD1 LEU A 52 -7.391 7.963 1.019 1.00 0.00 C ATOM 810 CD2 LEU A 52 -6.670 7.737 -1.365 1.00 0.00 C ATOM 0 H LEU A 52 -2.618 8.768 1.082 1.00 0.00 H new ATOM 0 HA LEU A 52 -5.120 8.584 2.529 1.00 0.00 H new ATOM 0 HB2 LEU A 52 -5.122 9.305 0.223 1.00 0.00 H new ATOM 0 HB3 LEU A 52 -4.207 7.898 -0.281 1.00 0.00 H new ATOM 0 HG LEU A 52 -6.119 6.442 0.238 1.00 0.00 H new ATOM 0 HD11 LEU A 52 -8.310 7.431 0.773 1.00 0.00 H new ATOM 0 HD12 LEU A 52 -7.112 7.748 2.051 1.00 0.00 H new ATOM 0 HD13 LEU A 52 -7.550 9.035 0.902 1.00 0.00 H new ATOM 0 HD21 LEU A 52 -7.599 7.209 -1.578 1.00 0.00 H new ATOM 0 HD22 LEU A 52 -6.810 8.803 -1.542 1.00 0.00 H new ATOM 0 HD23 LEU A 52 -5.882 7.362 -2.017 1.00 0.00 H new ATOM 822 N LEU A 53 -3.288 5.947 1.904 1.00 0.00 N ATOM 823 CA LEU A 53 -3.120 4.529 2.206 1.00 0.00 C ATOM 824 C LEU A 53 -3.147 4.286 3.711 1.00 0.00 C ATOM 825 O LEU A 53 -3.834 3.384 4.193 1.00 0.00 O ATOM 826 CB LEU A 53 -1.804 4.016 1.618 1.00 0.00 C ATOM 827 CG LEU A 53 -1.548 2.515 1.758 1.00 0.00 C ATOM 828 CD1 LEU A 53 -2.635 1.720 1.052 1.00 0.00 C ATOM 829 CD2 LEU A 53 -0.177 2.154 1.204 1.00 0.00 C ATOM 0 H LEU A 53 -2.484 6.380 1.450 1.00 0.00 H new ATOM 0 HA LEU A 53 -3.950 3.985 1.755 1.00 0.00 H new ATOM 0 HB2 LEU A 53 -1.778 4.272 0.559 1.00 0.00 H new ATOM 0 HB3 LEU A 53 -0.983 4.551 2.095 1.00 0.00 H new ATOM 0 HG LEU A 53 -1.569 2.260 2.817 1.00 0.00 H new ATOM 0 HD11 LEU A 53 -2.436 0.654 1.162 1.00 0.00 H new ATOM 0 HD12 LEU A 53 -3.603 1.956 1.493 1.00 0.00 H new ATOM 0 HD13 LEU A 53 -2.646 1.979 -0.007 1.00 0.00 H new ATOM 0 HD21 LEU A 53 -0.012 1.082 1.312 1.00 0.00 H new ATOM 0 HD22 LEU A 53 -0.128 2.424 0.149 1.00 0.00 H new ATOM 0 HD23 LEU A 53 0.592 2.697 1.754 1.00 0.00 H new ATOM 841 N LEU A 54 -2.399 5.098 4.450 1.00 0.00 N ATOM 842 CA LEU A 54 -2.339 4.973 5.902 1.00 0.00 C ATOM 843 C LEU A 54 -3.727 5.114 6.519 1.00 0.00 C ATOM 844 O LEU A 54 -4.135 4.302 7.350 1.00 0.00 O ATOM 845 CB LEU A 54 -1.399 6.029 6.486 1.00 0.00 C ATOM 846 CG LEU A 54 0.096 5.726 6.385 1.00 0.00 C ATOM 847 CD1 LEU A 54 0.915 6.914 6.868 1.00 0.00 C ATOM 848 CD2 LEU A 54 0.443 4.478 7.183 1.00 0.00 C ATOM 0 H LEU A 54 -1.826 5.850 4.068 1.00 0.00 H new ATOM 0 HA LEU A 54 -1.955 3.981 6.141 1.00 0.00 H new ATOM 0 HB2 LEU A 54 -1.592 6.976 5.983 1.00 0.00 H new ATOM 0 HB3 LEU A 54 -1.651 6.169 7.537 1.00 0.00 H new ATOM 0 HG LEU A 54 0.340 5.543 5.338 1.00 0.00 H new ATOM 0 HD11 LEU A 54 1.977 6.680 6.789 1.00 0.00 H new ATOM 0 HD12 LEU A 54 0.689 7.786 6.254 1.00 0.00 H new ATOM 0 HD13 LEU A 54 0.667 7.128 7.908 1.00 0.00 H new ATOM 0 HD21 LEU A 54 1.511 4.278 7.099 1.00 0.00 H new ATOM 0 HD22 LEU A 54 0.184 4.632 8.230 1.00 0.00 H new ATOM 0 HD23 LEU A 54 -0.117 3.629 6.792 1.00 0.00 H new ATOM 860 N THR A 55 -4.450 6.149 6.105 1.00 0.00 N ATOM 861 CA THR A 55 -5.793 6.397 6.615 1.00 0.00 C ATOM 862 C THR A 55 -6.689 5.180 6.416 1.00 0.00 C ATOM 863 O THR A 55 -7.405 4.767 7.329 1.00 0.00 O ATOM 864 CB THR A 55 -6.439 7.614 5.928 1.00 0.00 C ATOM 865 OG1 THR A 55 -6.694 7.321 4.550 1.00 0.00 O ATOM 866 CG2 THR A 55 -5.540 8.836 6.034 1.00 0.00 C ATOM 0 H THR A 55 -4.128 6.830 5.417 1.00 0.00 H new ATOM 0 HA THR A 55 -5.694 6.602 7.681 1.00 0.00 H new ATOM 0 HB THR A 55 -7.380 7.831 6.433 1.00 0.00 H new ATOM 0 HG1 THR A 55 -5.918 6.864 4.164 1.00 0.00 H new ATOM 0 HG21 THR A 55 -6.018 9.683 5.541 1.00 0.00 H new ATOM 0 HG22 THR A 55 -5.372 9.074 7.084 1.00 0.00 H new ATOM 0 HG23 THR A 55 -4.585 8.628 5.552 1.00 0.00 H new ATOM 874 N LEU A 56 -6.646 4.609 5.217 1.00 0.00 N ATOM 875 CA LEU A 56 -7.454 3.437 4.898 1.00 0.00 C ATOM 876 C LEU A 56 -7.295 2.359 5.965 1.00 0.00 C ATOM 877 O LEU A 56 -6.229 2.214 6.564 1.00 0.00 O ATOM 878 CB LEU A 56 -7.061 2.879 3.529 1.00 0.00 C ATOM 879 CG LEU A 56 -7.430 3.741 2.322 1.00 0.00 C ATOM 880 CD1 LEU A 56 -6.680 3.274 1.084 1.00 0.00 C ATOM 881 CD2 LEU A 56 -8.932 3.708 2.082 1.00 0.00 C ATOM 0 H LEU A 56 -6.060 4.939 4.450 1.00 0.00 H new ATOM 0 HA LEU A 56 -8.500 3.744 4.871 1.00 0.00 H new ATOM 0 HB2 LEU A 56 -5.983 2.719 3.520 1.00 0.00 H new ATOM 0 HB3 LEU A 56 -7.529 1.902 3.409 1.00 0.00 H new ATOM 0 HG LEU A 56 -7.139 4.770 2.532 1.00 0.00 H new ATOM 0 HD11 LEU A 56 -6.955 3.899 0.235 1.00 0.00 H new ATOM 0 HD12 LEU A 56 -5.607 3.351 1.258 1.00 0.00 H new ATOM 0 HD13 LEU A 56 -6.940 2.237 0.871 1.00 0.00 H new ATOM 0 HD21 LEU A 56 -9.176 4.327 1.219 1.00 0.00 H new ATOM 0 HD22 LEU A 56 -9.248 2.682 1.894 1.00 0.00 H new ATOM 0 HD23 LEU A 56 -9.449 4.091 2.961 1.00 0.00 H new ATOM 893 N THR A 57 -8.362 1.600 6.197 1.00 0.00 N ATOM 894 CA THR A 57 -8.341 0.534 7.190 1.00 0.00 C ATOM 895 C THR A 57 -8.877 -0.769 6.609 1.00 0.00 C ATOM 896 O THR A 57 -9.440 -0.786 5.515 1.00 0.00 O ATOM 897 CB THR A 57 -9.170 0.908 8.433 1.00 0.00 C ATOM 898 OG1 THR A 57 -10.505 1.253 8.047 1.00 0.00 O ATOM 899 CG2 THR A 57 -8.534 2.073 9.177 1.00 0.00 C ATOM 0 H THR A 57 -9.252 1.705 5.710 1.00 0.00 H new ATOM 0 HA THR A 57 -7.301 0.397 7.484 1.00 0.00 H new ATOM 0 HB THR A 57 -9.197 0.044 9.097 1.00 0.00 H new ATOM 0 HG1 THR A 57 -11.025 1.488 8.843 1.00 0.00 H new ATOM 0 HG21 THR A 57 -9.137 2.319 10.051 1.00 0.00 H new ATOM 0 HG22 THR A 57 -7.529 1.796 9.496 1.00 0.00 H new ATOM 0 HG23 THR A 57 -8.480 2.939 8.518 1.00 0.00 H new ATOM 907 N GLU A 58 -8.698 -1.859 7.349 1.00 0.00 N ATOM 908 CA GLU A 58 -9.165 -3.168 6.905 1.00 0.00 C ATOM 909 C GLU A 58 -10.585 -3.080 6.353 1.00 0.00 C ATOM 910 O GLU A 58 -11.017 -3.941 5.588 1.00 0.00 O ATOM 911 CB GLU A 58 -9.116 -4.170 8.060 1.00 0.00 C ATOM 912 CG GLU A 58 -9.840 -5.473 7.767 1.00 0.00 C ATOM 913 CD GLU A 58 -9.618 -6.519 8.841 1.00 0.00 C ATOM 914 OE1 GLU A 58 -10.377 -6.520 9.834 1.00 0.00 O ATOM 915 OE2 GLU A 58 -8.686 -7.336 8.691 1.00 0.00 O ATOM 0 H GLU A 58 -8.234 -1.862 8.257 1.00 0.00 H new ATOM 0 HA GLU A 58 -8.505 -3.510 6.108 1.00 0.00 H new ATOM 0 HB2 GLU A 58 -8.075 -4.388 8.297 1.00 0.00 H new ATOM 0 HB3 GLU A 58 -9.555 -3.712 8.946 1.00 0.00 H new ATOM 0 HG2 GLU A 58 -10.908 -5.277 7.671 1.00 0.00 H new ATOM 0 HG3 GLU A 58 -9.501 -5.865 6.808 1.00 0.00 H new ATOM 922 N GLU A 59 -11.304 -2.034 6.747 1.00 0.00 N ATOM 923 CA GLU A 59 -12.675 -1.835 6.293 1.00 0.00 C ATOM 924 C GLU A 59 -12.705 -1.074 4.970 1.00 0.00 C ATOM 925 O GLU A 59 -13.152 -1.599 3.951 1.00 0.00 O ATOM 926 CB GLU A 59 -13.481 -1.076 7.349 1.00 0.00 C ATOM 927 CG GLU A 59 -14.524 -0.141 6.762 1.00 0.00 C ATOM 928 CD GLU A 59 -15.701 0.078 7.693 1.00 0.00 C ATOM 929 OE1 GLU A 59 -16.166 -0.906 8.305 1.00 0.00 O ATOM 930 OE2 GLU A 59 -16.157 1.235 7.810 1.00 0.00 O ATOM 0 H GLU A 59 -10.960 -1.311 7.379 1.00 0.00 H new ATOM 0 HA GLU A 59 -13.125 -2.816 6.139 1.00 0.00 H new ATOM 0 HB2 GLU A 59 -13.976 -1.795 8.002 1.00 0.00 H new ATOM 0 HB3 GLU A 59 -12.797 -0.499 7.971 1.00 0.00 H new ATOM 0 HG2 GLU A 59 -14.060 0.819 6.537 1.00 0.00 H new ATOM 0 HG3 GLU A 59 -14.883 -0.551 5.818 1.00 0.00 H new ATOM 937 N GLU A 60 -12.227 0.166 4.997 1.00 0.00 N ATOM 938 CA GLU A 60 -12.200 0.999 3.801 1.00 0.00 C ATOM 939 C GLU A 60 -11.747 0.194 2.586 1.00 0.00 C ATOM 940 O GLU A 60 -12.303 0.328 1.496 1.00 0.00 O ATOM 941 CB GLU A 60 -11.270 2.197 4.007 1.00 0.00 C ATOM 942 CG GLU A 60 -11.511 2.936 5.313 1.00 0.00 C ATOM 943 CD GLU A 60 -12.985 3.161 5.592 1.00 0.00 C ATOM 944 OE1 GLU A 60 -13.714 3.550 4.657 1.00 0.00 O ATOM 945 OE2 GLU A 60 -13.407 2.948 6.748 1.00 0.00 O ATOM 0 H GLU A 60 -11.854 0.615 5.833 1.00 0.00 H new ATOM 0 HA GLU A 60 -13.212 1.360 3.619 1.00 0.00 H new ATOM 0 HB2 GLU A 60 -10.236 1.853 3.979 1.00 0.00 H new ATOM 0 HB3 GLU A 60 -11.397 2.892 3.177 1.00 0.00 H new ATOM 0 HG2 GLU A 60 -11.072 2.369 6.134 1.00 0.00 H new ATOM 0 HG3 GLU A 60 -11.000 3.898 5.282 1.00 0.00 H new ATOM 952 N PHE A 61 -10.734 -0.644 2.783 1.00 0.00 N ATOM 953 CA PHE A 61 -10.205 -1.470 1.704 1.00 0.00 C ATOM 954 C PHE A 61 -11.281 -2.403 1.157 1.00 0.00 C ATOM 955 O PHE A 61 -11.366 -2.628 -0.051 1.00 0.00 O ATOM 956 CB PHE A 61 -9.009 -2.286 2.199 1.00 0.00 C ATOM 957 CG PHE A 61 -7.790 -1.455 2.478 1.00 0.00 C ATOM 958 CD1 PHE A 61 -7.147 -0.778 1.454 1.00 0.00 C ATOM 959 CD2 PHE A 61 -7.287 -1.350 3.765 1.00 0.00 C ATOM 960 CE1 PHE A 61 -6.025 -0.012 1.708 1.00 0.00 C ATOM 961 CE2 PHE A 61 -6.165 -0.584 4.024 1.00 0.00 C ATOM 962 CZ PHE A 61 -5.533 0.085 2.994 1.00 0.00 C ATOM 0 H PHE A 61 -10.263 -0.769 3.679 1.00 0.00 H new ATOM 0 HA PHE A 61 -9.878 -0.810 0.900 1.00 0.00 H new ATOM 0 HB2 PHE A 61 -9.293 -2.817 3.108 1.00 0.00 H new ATOM 0 HB3 PHE A 61 -8.761 -3.041 1.453 1.00 0.00 H new ATOM 0 HD1 PHE A 61 -7.527 -0.850 0.446 1.00 0.00 H new ATOM 0 HD2 PHE A 61 -7.776 -1.872 4.574 1.00 0.00 H new ATOM 0 HE1 PHE A 61 -5.533 0.510 0.901 1.00 0.00 H new ATOM 0 HE2 PHE A 61 -5.783 -0.509 5.031 1.00 0.00 H new ATOM 0 HZ PHE A 61 -4.656 0.683 3.194 1.00 0.00 H new ATOM 972 N SER A 62 -12.099 -2.944 2.054 1.00 0.00 N ATOM 973 CA SER A 62 -13.167 -3.857 1.662 1.00 0.00 C ATOM 974 C SER A 62 -14.373 -3.087 1.134 1.00 0.00 C ATOM 975 O SER A 62 -15.451 -3.652 0.946 1.00 0.00 O ATOM 976 CB SER A 62 -13.583 -4.728 2.849 1.00 0.00 C ATOM 977 OG SER A 62 -14.627 -4.118 3.587 1.00 0.00 O ATOM 0 H SER A 62 -12.043 -2.766 3.057 1.00 0.00 H new ATOM 0 HA SER A 62 -12.790 -4.498 0.865 1.00 0.00 H new ATOM 0 HB2 SER A 62 -13.909 -5.705 2.491 1.00 0.00 H new ATOM 0 HB3 SER A 62 -12.724 -4.897 3.499 1.00 0.00 H new ATOM 0 HG SER A 62 -14.360 -3.210 3.843 1.00 0.00 H new ATOM 983 N ARG A 63 -14.183 -1.793 0.896 1.00 0.00 N ATOM 984 CA ARG A 63 -15.255 -0.944 0.390 1.00 0.00 C ATOM 985 C ARG A 63 -14.926 -0.427 -1.007 1.00 0.00 C ATOM 986 O ARG A 63 -13.762 -0.210 -1.341 1.00 0.00 O ATOM 987 CB ARG A 63 -15.493 0.232 1.339 1.00 0.00 C ATOM 988 CG ARG A 63 -15.806 -0.189 2.765 1.00 0.00 C ATOM 989 CD ARG A 63 -17.272 -0.561 2.927 1.00 0.00 C ATOM 990 NE ARG A 63 -18.090 0.590 3.300 1.00 0.00 N ATOM 991 CZ ARG A 63 -19.276 0.488 3.890 1.00 0.00 C ATOM 992 NH1 ARG A 63 -19.778 -0.706 4.174 1.00 0.00 N ATOM 993 NH2 ARG A 63 -19.961 1.581 4.198 1.00 0.00 N ATOM 0 H ARG A 63 -13.297 -1.310 1.045 1.00 0.00 H new ATOM 0 HA ARG A 63 -16.163 -1.544 0.331 1.00 0.00 H new ATOM 0 HB2 ARG A 63 -14.609 0.869 1.343 1.00 0.00 H new ATOM 0 HB3 ARG A 63 -16.318 0.834 0.958 1.00 0.00 H new ATOM 0 HG2 ARG A 63 -15.181 -1.039 3.040 1.00 0.00 H new ATOM 0 HG3 ARG A 63 -15.558 0.623 3.448 1.00 0.00 H new ATOM 0 HD2 ARG A 63 -17.644 -0.983 1.994 1.00 0.00 H new ATOM 0 HD3 ARG A 63 -17.368 -1.336 3.688 1.00 0.00 H new ATOM 0 HE ARG A 63 -17.731 1.523 3.096 1.00 0.00 H new ATOM 0 HH11 ARG A 63 -19.253 -1.549 3.939 1.00 0.00 H new ATOM 0 HH12 ARG A 63 -20.689 -0.782 4.627 1.00 0.00 H new ATOM 0 HH21 ARG A 63 -19.577 2.501 3.982 1.00 0.00 H new ATOM 0 HH22 ARG A 63 -20.871 1.502 4.651 1.00 0.00 H new ATOM 1007 N ALA A 64 -15.960 -0.232 -1.819 1.00 0.00 N ATOM 1008 CA ALA A 64 -15.781 0.261 -3.179 1.00 0.00 C ATOM 1009 C ALA A 64 -15.085 1.618 -3.184 1.00 0.00 C ATOM 1010 O ALA A 64 -15.146 2.377 -2.217 1.00 0.00 O ATOM 1011 CB ALA A 64 -17.124 0.353 -3.888 1.00 0.00 C ATOM 0 H ALA A 64 -16.930 -0.408 -1.558 1.00 0.00 H new ATOM 0 HA ALA A 64 -15.147 -0.446 -3.714 1.00 0.00 H new ATOM 0 HB1 ALA A 64 -16.975 0.723 -4.903 1.00 0.00 H new ATOM 0 HB2 ALA A 64 -17.584 -0.634 -3.925 1.00 0.00 H new ATOM 0 HB3 ALA A 64 -17.776 1.037 -3.345 1.00 0.00 H new ATOM 1017 N PRO A 65 -14.406 1.931 -4.297 1.00 0.00 N ATOM 1018 CA PRO A 65 -14.326 1.034 -5.454 1.00 0.00 C ATOM 1019 C PRO A 65 -13.483 -0.204 -5.171 1.00 0.00 C ATOM 1020 O PRO A 65 -13.709 -1.267 -5.750 1.00 0.00 O ATOM 1021 CB PRO A 65 -13.661 1.899 -6.528 1.00 0.00 C ATOM 1022 CG PRO A 65 -12.880 2.914 -5.767 1.00 0.00 C ATOM 1023 CD PRO A 65 -13.663 3.184 -4.512 1.00 0.00 C ATOM 0 HA PRO A 65 -15.305 0.651 -5.741 1.00 0.00 H new ATOM 0 HB2 PRO A 65 -13.014 1.303 -7.172 1.00 0.00 H new ATOM 0 HB3 PRO A 65 -14.403 2.371 -7.171 1.00 0.00 H new ATOM 0 HG2 PRO A 65 -11.882 2.543 -5.532 1.00 0.00 H new ATOM 0 HG3 PRO A 65 -12.752 3.826 -6.351 1.00 0.00 H new ATOM 0 HD2 PRO A 65 -13.008 3.412 -3.671 1.00 0.00 H new ATOM 0 HD3 PRO A 65 -14.335 4.034 -4.633 1.00 0.00 H new ATOM 1031 N TYR A 66 -12.510 -0.060 -4.277 1.00 0.00 N ATOM 1032 CA TYR A 66 -11.632 -1.168 -3.918 1.00 0.00 C ATOM 1033 C TYR A 66 -12.425 -2.460 -3.751 1.00 0.00 C ATOM 1034 O TYR A 66 -12.069 -3.499 -4.309 1.00 0.00 O ATOM 1035 CB TYR A 66 -10.876 -0.849 -2.627 1.00 0.00 C ATOM 1036 CG TYR A 66 -10.580 0.623 -2.447 1.00 0.00 C ATOM 1037 CD1 TYR A 66 -9.927 1.347 -3.437 1.00 0.00 C ATOM 1038 CD2 TYR A 66 -10.953 1.290 -1.286 1.00 0.00 C ATOM 1039 CE1 TYR A 66 -9.653 2.691 -3.276 1.00 0.00 C ATOM 1040 CE2 TYR A 66 -10.685 2.634 -1.117 1.00 0.00 C ATOM 1041 CZ TYR A 66 -10.035 3.331 -2.115 1.00 0.00 C ATOM 1042 OH TYR A 66 -9.765 4.670 -1.950 1.00 0.00 O ATOM 0 H TYR A 66 -12.310 0.813 -3.788 1.00 0.00 H new ATOM 0 HA TYR A 66 -10.914 -1.306 -4.727 1.00 0.00 H new ATOM 0 HB2 TYR A 66 -11.461 -1.200 -1.777 1.00 0.00 H new ATOM 0 HB3 TYR A 66 -9.938 -1.403 -2.619 1.00 0.00 H new ATOM 0 HD1 TYR A 66 -9.629 0.850 -4.348 1.00 0.00 H new ATOM 0 HD2 TYR A 66 -11.461 0.748 -0.502 1.00 0.00 H new ATOM 0 HE1 TYR A 66 -9.142 3.238 -4.055 1.00 0.00 H new ATOM 0 HE2 TYR A 66 -10.982 3.137 -0.209 1.00 0.00 H new ATOM 0 HH TYR A 66 -10.101 4.966 -1.078 1.00 0.00 H new ATOM 1052 N THR A 67 -13.504 -2.389 -2.977 1.00 0.00 N ATOM 1053 CA THR A 67 -14.349 -3.551 -2.734 1.00 0.00 C ATOM 1054 C THR A 67 -13.526 -4.834 -2.714 1.00 0.00 C ATOM 1055 O THR A 67 -13.980 -5.881 -3.178 1.00 0.00 O ATOM 1056 CB THR A 67 -15.451 -3.678 -3.803 1.00 0.00 C ATOM 1057 OG1 THR A 67 -16.401 -4.675 -3.410 1.00 0.00 O ATOM 1058 CG2 THR A 67 -14.855 -4.042 -5.154 1.00 0.00 C ATOM 0 H THR A 67 -13.813 -1.538 -2.508 1.00 0.00 H new ATOM 0 HA THR A 67 -14.814 -3.405 -1.759 1.00 0.00 H new ATOM 0 HB THR A 67 -15.952 -2.714 -3.893 1.00 0.00 H new ATOM 0 HG1 THR A 67 -15.940 -5.527 -3.264 1.00 0.00 H new ATOM 0 HG21 THR A 67 -15.652 -4.126 -5.893 1.00 0.00 H new ATOM 0 HG22 THR A 67 -14.154 -3.267 -5.463 1.00 0.00 H new ATOM 0 HG23 THR A 67 -14.331 -4.995 -5.076 1.00 0.00 H new ATOM 1066 N ILE A 68 -12.315 -4.746 -2.175 1.00 0.00 N ATOM 1067 CA ILE A 68 -11.430 -5.902 -2.094 1.00 0.00 C ATOM 1068 C ILE A 68 -12.171 -7.126 -1.569 1.00 0.00 C ATOM 1069 O ILE A 68 -12.248 -7.347 -0.361 1.00 0.00 O ATOM 1070 CB ILE A 68 -10.219 -5.620 -1.185 1.00 0.00 C ATOM 1071 CG1 ILE A 68 -9.416 -4.433 -1.721 1.00 0.00 C ATOM 1072 CG2 ILE A 68 -9.339 -6.857 -1.077 1.00 0.00 C ATOM 1073 CD1 ILE A 68 -8.089 -4.236 -1.022 1.00 0.00 C ATOM 0 H ILE A 68 -11.924 -3.887 -1.788 1.00 0.00 H new ATOM 0 HA ILE A 68 -11.077 -6.101 -3.106 1.00 0.00 H new ATOM 0 HB ILE A 68 -10.582 -5.368 -0.189 1.00 0.00 H new ATOM 0 HG12 ILE A 68 -9.238 -4.577 -2.787 1.00 0.00 H new ATOM 0 HG13 ILE A 68 -10.011 -3.526 -1.616 1.00 0.00 H new ATOM 0 HG21 ILE A 68 -8.487 -6.642 -0.432 1.00 0.00 H new ATOM 0 HG22 ILE A 68 -9.917 -7.679 -0.654 1.00 0.00 H new ATOM 0 HG23 ILE A 68 -8.982 -7.137 -2.068 1.00 0.00 H new ATOM 0 HD11 ILE A 68 -7.574 -3.377 -1.453 1.00 0.00 H new ATOM 0 HD12 ILE A 68 -8.260 -4.061 0.040 1.00 0.00 H new ATOM 0 HD13 ILE A 68 -7.475 -5.128 -1.148 1.00 0.00 H new ATOM 1085 N GLU A 69 -12.715 -7.921 -2.486 1.00 0.00 N ATOM 1086 CA GLU A 69 -13.449 -9.124 -2.115 1.00 0.00 C ATOM 1087 C GLU A 69 -12.493 -10.272 -1.804 1.00 0.00 C ATOM 1088 O GLU A 69 -12.715 -11.408 -2.219 1.00 0.00 O ATOM 1089 CB GLU A 69 -14.404 -9.532 -3.239 1.00 0.00 C ATOM 1090 CG GLU A 69 -15.339 -8.418 -3.678 1.00 0.00 C ATOM 1091 CD GLU A 69 -16.605 -8.940 -4.329 1.00 0.00 C ATOM 1092 OE1 GLU A 69 -17.326 -9.725 -3.677 1.00 0.00 O ATOM 1093 OE2 GLU A 69 -16.874 -8.566 -5.489 1.00 0.00 O ATOM 0 H GLU A 69 -12.661 -7.753 -3.491 1.00 0.00 H new ATOM 0 HA GLU A 69 -14.027 -8.903 -1.218 1.00 0.00 H new ATOM 0 HB2 GLU A 69 -13.820 -9.864 -4.097 1.00 0.00 H new ATOM 0 HB3 GLU A 69 -14.998 -10.384 -2.908 1.00 0.00 H new ATOM 0 HG2 GLU A 69 -15.604 -7.810 -2.813 1.00 0.00 H new ATOM 0 HG3 GLU A 69 -14.817 -7.766 -4.379 1.00 0.00 H new ATOM 1100 N ASN A 70 -11.427 -9.964 -1.072 1.00 0.00 N ATOM 1101 CA ASN A 70 -10.435 -10.968 -0.706 1.00 0.00 C ATOM 1102 C ASN A 70 -9.689 -10.560 0.560 1.00 0.00 C ATOM 1103 O ASN A 70 -8.834 -9.675 0.532 1.00 0.00 O ATOM 1104 CB ASN A 70 -9.442 -11.176 -1.852 1.00 0.00 C ATOM 1105 CG ASN A 70 -8.582 -12.409 -1.655 1.00 0.00 C ATOM 1106 OD1 ASN A 70 -7.631 -12.399 -0.873 1.00 0.00 O ATOM 1107 ND2 ASN A 70 -8.913 -13.481 -2.367 1.00 0.00 N ATOM 0 H ASN A 70 -11.228 -9.027 -0.721 1.00 0.00 H new ATOM 0 HA ASN A 70 -10.958 -11.905 -0.512 1.00 0.00 H new ATOM 0 HB2 ASN A 70 -9.988 -11.264 -2.791 1.00 0.00 H new ATOM 0 HB3 ASN A 70 -8.801 -10.299 -1.937 1.00 0.00 H new ATOM 0 HD21 ASN A 70 -8.371 -14.340 -2.277 1.00 0.00 H new ATOM 0 HD22 ASN A 70 -9.709 -13.445 -3.003 1.00 0.00 H new ATOM 1114 N SER A 71 -10.018 -11.212 1.671 1.00 0.00 N ATOM 1115 CA SER A 71 -9.382 -10.915 2.949 1.00 0.00 C ATOM 1116 C SER A 71 -7.867 -11.055 2.847 1.00 0.00 C ATOM 1117 O SER A 71 -7.125 -10.109 3.113 1.00 0.00 O ATOM 1118 CB SER A 71 -9.920 -11.845 4.038 1.00 0.00 C ATOM 1119 OG SER A 71 -11.316 -11.674 4.212 1.00 0.00 O ATOM 0 H SER A 71 -10.721 -11.949 1.712 1.00 0.00 H new ATOM 0 HA SER A 71 -9.617 -9.884 3.213 1.00 0.00 H new ATOM 0 HB2 SER A 71 -9.708 -12.881 3.773 1.00 0.00 H new ATOM 0 HB3 SER A 71 -9.406 -11.645 4.978 1.00 0.00 H new ATOM 0 HG SER A 71 -11.635 -12.281 4.912 1.00 0.00 H new ATOM 1125 N SER A 72 -7.413 -12.243 2.460 1.00 0.00 N ATOM 1126 CA SER A 72 -5.986 -12.510 2.326 1.00 0.00 C ATOM 1127 C SER A 72 -5.254 -11.288 1.780 1.00 0.00 C ATOM 1128 O SER A 72 -4.156 -10.955 2.229 1.00 0.00 O ATOM 1129 CB SER A 72 -5.754 -13.711 1.406 1.00 0.00 C ATOM 1130 OG SER A 72 -5.968 -14.930 2.096 1.00 0.00 O ATOM 0 H SER A 72 -8.013 -13.036 2.234 1.00 0.00 H new ATOM 0 HA SER A 72 -5.590 -12.738 3.316 1.00 0.00 H new ATOM 0 HB2 SER A 72 -6.425 -13.652 0.549 1.00 0.00 H new ATOM 0 HB3 SER A 72 -4.736 -13.684 1.016 1.00 0.00 H new ATOM 0 HG SER A 72 -5.815 -15.682 1.487 1.00 0.00 H new ATOM 1136 N HIS A 73 -5.869 -10.623 0.807 1.00 0.00 N ATOM 1137 CA HIS A 73 -5.277 -9.437 0.199 1.00 0.00 C ATOM 1138 C HIS A 73 -5.138 -8.314 1.222 1.00 0.00 C ATOM 1139 O HIS A 73 -4.115 -7.630 1.272 1.00 0.00 O ATOM 1140 CB HIS A 73 -6.126 -8.965 -0.982 1.00 0.00 C ATOM 1141 CG HIS A 73 -5.508 -7.839 -1.752 1.00 0.00 C ATOM 1142 ND1 HIS A 73 -5.858 -6.518 -1.564 1.00 0.00 N ATOM 1143 CD2 HIS A 73 -4.557 -7.842 -2.715 1.00 0.00 C ATOM 1144 CE1 HIS A 73 -5.150 -5.758 -2.380 1.00 0.00 C ATOM 1145 NE2 HIS A 73 -4.352 -6.536 -3.089 1.00 0.00 N ATOM 0 H HIS A 73 -6.777 -10.885 0.423 1.00 0.00 H new ATOM 0 HA HIS A 73 -4.283 -9.702 -0.161 1.00 0.00 H new ATOM 0 HB2 HIS A 73 -6.295 -9.805 -1.656 1.00 0.00 H new ATOM 0 HB3 HIS A 73 -7.102 -8.650 -0.614 1.00 0.00 H new ATOM 0 HD2 HIS A 73 -4.053 -8.709 -3.115 1.00 0.00 H new ATOM 0 HE1 HIS A 73 -5.213 -4.682 -2.455 1.00 0.00 H new ATOM 0 HE2 HIS A 73 -3.691 -6.219 -3.798 1.00 0.00 H new ATOM 1154 N ARG A 74 -6.173 -8.129 2.035 1.00 0.00 N ATOM 1155 CA ARG A 74 -6.167 -7.087 3.055 1.00 0.00 C ATOM 1156 C ARG A 74 -5.145 -7.400 4.144 1.00 0.00 C ATOM 1157 O ARG A 74 -4.436 -6.511 4.618 1.00 0.00 O ATOM 1158 CB ARG A 74 -7.558 -6.941 3.673 1.00 0.00 C ATOM 1159 CG ARG A 74 -8.510 -6.099 2.838 1.00 0.00 C ATOM 1160 CD ARG A 74 -9.818 -5.846 3.571 1.00 0.00 C ATOM 1161 NE ARG A 74 -10.809 -6.882 3.294 1.00 0.00 N ATOM 1162 CZ ARG A 74 -11.849 -7.134 4.082 1.00 0.00 C ATOM 1163 NH1 ARG A 74 -12.033 -6.427 5.188 1.00 0.00 N ATOM 1164 NH2 ARG A 74 -12.707 -8.094 3.763 1.00 0.00 N ATOM 0 H ARG A 74 -7.026 -8.687 2.007 1.00 0.00 H new ATOM 0 HA ARG A 74 -5.889 -6.147 2.578 1.00 0.00 H new ATOM 0 HB2 ARG A 74 -7.990 -7.932 3.813 1.00 0.00 H new ATOM 0 HB3 ARG A 74 -7.462 -6.493 4.662 1.00 0.00 H new ATOM 0 HG2 ARG A 74 -8.038 -5.147 2.595 1.00 0.00 H new ATOM 0 HG3 ARG A 74 -8.712 -6.605 1.894 1.00 0.00 H new ATOM 0 HD2 ARG A 74 -9.630 -5.802 4.644 1.00 0.00 H new ATOM 0 HD3 ARG A 74 -10.217 -4.875 3.277 1.00 0.00 H new ATOM 0 HE ARG A 74 -10.697 -7.443 2.450 1.00 0.00 H new ATOM 0 HH11 ARG A 74 -11.376 -5.688 5.436 1.00 0.00 H new ATOM 0 HH12 ARG A 74 -12.832 -6.622 5.791 1.00 0.00 H new ATOM 0 HH21 ARG A 74 -12.569 -8.640 2.912 1.00 0.00 H new ATOM 0 HH22 ARG A 74 -13.505 -8.287 4.368 1.00 0.00 H new ATOM 1178 N ARG A 75 -5.076 -8.667 4.538 1.00 0.00 N ATOM 1179 CA ARG A 75 -4.143 -9.096 5.573 1.00 0.00 C ATOM 1180 C ARG A 75 -2.708 -8.743 5.191 1.00 0.00 C ATOM 1181 O ARG A 75 -1.937 -8.255 6.017 1.00 0.00 O ATOM 1182 CB ARG A 75 -4.264 -10.603 5.806 1.00 0.00 C ATOM 1183 CG ARG A 75 -3.308 -11.135 6.862 1.00 0.00 C ATOM 1184 CD ARG A 75 -1.983 -11.562 6.249 1.00 0.00 C ATOM 1185 NE ARG A 75 -1.114 -12.214 7.225 1.00 0.00 N ATOM 1186 CZ ARG A 75 -1.342 -13.427 7.716 1.00 0.00 C ATOM 1187 NH1 ARG A 75 -2.404 -14.116 7.324 1.00 0.00 N ATOM 1188 NH2 ARG A 75 -0.505 -13.953 8.601 1.00 0.00 N ATOM 0 H ARG A 75 -5.655 -9.415 4.156 1.00 0.00 H new ATOM 0 HA ARG A 75 -4.395 -8.572 6.495 1.00 0.00 H new ATOM 0 HB2 ARG A 75 -5.287 -10.835 6.104 1.00 0.00 H new ATOM 0 HB3 ARG A 75 -4.080 -11.123 4.866 1.00 0.00 H new ATOM 0 HG2 ARG A 75 -3.131 -10.367 7.615 1.00 0.00 H new ATOM 0 HG3 ARG A 75 -3.764 -11.983 7.373 1.00 0.00 H new ATOM 0 HD2 ARG A 75 -2.170 -12.243 5.418 1.00 0.00 H new ATOM 0 HD3 ARG A 75 -1.476 -10.689 5.838 1.00 0.00 H new ATOM 0 HE ARG A 75 -0.287 -11.711 7.547 1.00 0.00 H new ATOM 0 HH11 ARG A 75 -3.049 -13.715 6.643 1.00 0.00 H new ATOM 0 HH12 ARG A 75 -2.576 -15.047 7.703 1.00 0.00 H new ATOM 0 HH21 ARG A 75 0.314 -13.426 8.905 1.00 0.00 H new ATOM 0 HH22 ARG A 75 -0.680 -14.884 8.978 1.00 0.00 H new ATOM 1202 N VAL A 76 -2.357 -8.995 3.934 1.00 0.00 N ATOM 1203 CA VAL A 76 -1.015 -8.704 3.442 1.00 0.00 C ATOM 1204 C VAL A 76 -0.742 -7.204 3.445 1.00 0.00 C ATOM 1205 O VAL A 76 0.338 -6.760 3.836 1.00 0.00 O ATOM 1206 CB VAL A 76 -0.809 -9.249 2.017 1.00 0.00 C ATOM 1207 CG1 VAL A 76 0.583 -8.906 1.510 1.00 0.00 C ATOM 1208 CG2 VAL A 76 -1.044 -10.752 1.982 1.00 0.00 C ATOM 0 H VAL A 76 -2.983 -9.400 3.238 1.00 0.00 H new ATOM 0 HA VAL A 76 -0.316 -9.199 4.117 1.00 0.00 H new ATOM 0 HB VAL A 76 -1.536 -8.776 1.357 1.00 0.00 H new ATOM 0 HG11 VAL A 76 0.710 -9.299 0.501 1.00 0.00 H new ATOM 0 HG12 VAL A 76 0.708 -7.823 1.496 1.00 0.00 H new ATOM 0 HG13 VAL A 76 1.330 -9.349 2.169 1.00 0.00 H new ATOM 0 HG21 VAL A 76 -0.894 -11.120 0.967 1.00 0.00 H new ATOM 0 HG22 VAL A 76 -0.342 -11.246 2.654 1.00 0.00 H new ATOM 0 HG23 VAL A 76 -2.064 -10.968 2.299 1.00 0.00 H new ATOM 1218 N ILE A 77 -1.728 -6.428 3.008 1.00 0.00 N ATOM 1219 CA ILE A 77 -1.595 -4.977 2.963 1.00 0.00 C ATOM 1220 C ILE A 77 -1.536 -4.386 4.367 1.00 0.00 C ATOM 1221 O ILE A 77 -0.534 -3.785 4.758 1.00 0.00 O ATOM 1222 CB ILE A 77 -2.761 -4.329 2.193 1.00 0.00 C ATOM 1223 CG1 ILE A 77 -2.601 -4.561 0.690 1.00 0.00 C ATOM 1224 CG2 ILE A 77 -2.835 -2.840 2.500 1.00 0.00 C ATOM 1225 CD1 ILE A 77 -3.813 -4.151 -0.117 1.00 0.00 C ATOM 0 H ILE A 77 -2.628 -6.780 2.680 1.00 0.00 H new ATOM 0 HA ILE A 77 -0.662 -4.762 2.442 1.00 0.00 H new ATOM 0 HB ILE A 77 -3.693 -4.794 2.515 1.00 0.00 H new ATOM 0 HG12 ILE A 77 -1.733 -4.005 0.335 1.00 0.00 H new ATOM 0 HG13 ILE A 77 -2.397 -5.617 0.513 1.00 0.00 H new ATOM 0 HG21 ILE A 77 -3.664 -2.396 1.949 1.00 0.00 H new ATOM 0 HG22 ILE A 77 -2.992 -2.696 3.569 1.00 0.00 H new ATOM 0 HG23 ILE A 77 -1.903 -2.360 2.202 1.00 0.00 H new ATOM 0 HD11 ILE A 77 -3.629 -4.344 -1.174 1.00 0.00 H new ATOM 0 HD12 ILE A 77 -4.680 -4.725 0.211 1.00 0.00 H new ATOM 0 HD13 ILE A 77 -4.005 -3.088 0.030 1.00 0.00 H new ATOM 1237 N LEU A 78 -2.614 -4.561 5.123 1.00 0.00 N ATOM 1238 CA LEU A 78 -2.685 -4.046 6.486 1.00 0.00 C ATOM 1239 C LEU A 78 -1.461 -4.469 7.292 1.00 0.00 C ATOM 1240 O LEU A 78 -0.700 -3.630 7.774 1.00 0.00 O ATOM 1241 CB LEU A 78 -3.958 -4.542 7.173 1.00 0.00 C ATOM 1242 CG LEU A 78 -5.229 -3.739 6.891 1.00 0.00 C ATOM 1243 CD1 LEU A 78 -5.177 -2.393 7.597 1.00 0.00 C ATOM 1244 CD2 LEU A 78 -5.419 -3.551 5.393 1.00 0.00 C ATOM 0 H LEU A 78 -3.451 -5.056 4.815 1.00 0.00 H new ATOM 0 HA LEU A 78 -2.706 -2.957 6.437 1.00 0.00 H new ATOM 0 HB2 LEU A 78 -4.131 -5.575 6.872 1.00 0.00 H new ATOM 0 HB3 LEU A 78 -3.787 -4.548 8.250 1.00 0.00 H new ATOM 0 HG LEU A 78 -6.082 -4.296 7.278 1.00 0.00 H new ATOM 0 HD11 LEU A 78 -6.089 -1.835 7.385 1.00 0.00 H new ATOM 0 HD12 LEU A 78 -5.089 -2.549 8.672 1.00 0.00 H new ATOM 0 HD13 LEU A 78 -4.316 -1.828 7.241 1.00 0.00 H new ATOM 0 HD21 LEU A 78 -6.328 -2.978 5.211 1.00 0.00 H new ATOM 0 HD22 LEU A 78 -4.563 -3.015 4.982 1.00 0.00 H new ATOM 0 HD23 LEU A 78 -5.502 -4.525 4.912 1.00 0.00 H new ATOM 1256 N THR A 79 -1.274 -5.778 7.432 1.00 0.00 N ATOM 1257 CA THR A 79 -0.142 -6.313 8.178 1.00 0.00 C ATOM 1258 C THR A 79 1.153 -5.610 7.791 1.00 0.00 C ATOM 1259 O THR A 79 1.818 -5.007 8.633 1.00 0.00 O ATOM 1260 CB THR A 79 0.019 -7.827 7.945 1.00 0.00 C ATOM 1261 OG1 THR A 79 -1.173 -8.514 8.342 1.00 0.00 O ATOM 1262 CG2 THR A 79 1.207 -8.371 8.724 1.00 0.00 C ATOM 0 H THR A 79 -1.892 -6.487 7.038 1.00 0.00 H new ATOM 0 HA THR A 79 -0.347 -6.135 9.234 1.00 0.00 H new ATOM 0 HB THR A 79 0.195 -7.992 6.882 1.00 0.00 H new ATOM 0 HG1 THR A 79 -1.629 -8.863 7.548 1.00 0.00 H new ATOM 0 HG21 THR A 79 1.301 -9.442 8.544 1.00 0.00 H new ATOM 0 HG22 THR A 79 2.117 -7.867 8.398 1.00 0.00 H new ATOM 0 HG23 THR A 79 1.056 -8.194 9.789 1.00 0.00 H new ATOM 1270 N GLU A 80 1.506 -5.692 6.512 1.00 0.00 N ATOM 1271 CA GLU A 80 2.724 -5.062 6.014 1.00 0.00 C ATOM 1272 C GLU A 80 2.747 -3.575 6.358 1.00 0.00 C ATOM 1273 O GLU A 80 3.785 -3.030 6.737 1.00 0.00 O ATOM 1274 CB GLU A 80 2.838 -5.248 4.500 1.00 0.00 C ATOM 1275 CG GLU A 80 3.209 -6.662 4.086 1.00 0.00 C ATOM 1276 CD GLU A 80 4.708 -6.866 3.985 1.00 0.00 C ATOM 1277 OE1 GLU A 80 5.433 -5.863 3.821 1.00 0.00 O ATOM 1278 OE2 GLU A 80 5.156 -8.029 4.070 1.00 0.00 O ATOM 0 H GLU A 80 0.967 -6.188 5.802 1.00 0.00 H new ATOM 0 HA GLU A 80 3.575 -5.542 6.497 1.00 0.00 H new ATOM 0 HB2 GLU A 80 1.888 -4.981 4.037 1.00 0.00 H new ATOM 0 HB3 GLU A 80 3.587 -4.557 4.113 1.00 0.00 H new ATOM 0 HG2 GLU A 80 2.798 -7.368 4.808 1.00 0.00 H new ATOM 0 HG3 GLU A 80 2.750 -6.887 3.123 1.00 0.00 H new ATOM 1285 N LEU A 81 1.597 -2.925 6.224 1.00 0.00 N ATOM 1286 CA LEU A 81 1.484 -1.501 6.520 1.00 0.00 C ATOM 1287 C LEU A 81 1.706 -1.234 8.006 1.00 0.00 C ATOM 1288 O LEU A 81 2.235 -0.190 8.385 1.00 0.00 O ATOM 1289 CB LEU A 81 0.110 -0.979 6.097 1.00 0.00 C ATOM 1290 CG LEU A 81 0.038 -0.315 4.722 1.00 0.00 C ATOM 1291 CD1 LEU A 81 -1.395 -0.290 4.214 1.00 0.00 C ATOM 1292 CD2 LEU A 81 0.610 1.095 4.780 1.00 0.00 C ATOM 0 H LEU A 81 0.729 -3.361 5.912 1.00 0.00 H new ATOM 0 HA LEU A 81 2.255 -0.976 5.956 1.00 0.00 H new ATOM 0 HB2 LEU A 81 -0.593 -1.811 6.113 1.00 0.00 H new ATOM 0 HB3 LEU A 81 -0.229 -0.261 6.843 1.00 0.00 H new ATOM 0 HG LEU A 81 0.638 -0.901 4.026 1.00 0.00 H new ATOM 0 HD11 LEU A 81 -1.425 0.186 3.234 1.00 0.00 H new ATOM 0 HD12 LEU A 81 -1.770 -1.310 4.133 1.00 0.00 H new ATOM 0 HD13 LEU A 81 -2.018 0.272 4.910 1.00 0.00 H new ATOM 0 HD21 LEU A 81 0.551 1.553 3.792 1.00 0.00 H new ATOM 0 HD22 LEU A 81 0.038 1.691 5.491 1.00 0.00 H new ATOM 0 HD23 LEU A 81 1.652 1.052 5.098 1.00 0.00 H new ATOM 1304 N GLU A 82 1.301 -2.186 8.840 1.00 0.00 N ATOM 1305 CA GLU A 82 1.457 -2.054 10.283 1.00 0.00 C ATOM 1306 C GLU A 82 2.933 -2.006 10.668 1.00 0.00 C ATOM 1307 O GLU A 82 3.298 -1.445 11.701 1.00 0.00 O ATOM 1308 CB GLU A 82 0.769 -3.216 11.002 1.00 0.00 C ATOM 1309 CG GLU A 82 0.964 -3.200 12.509 1.00 0.00 C ATOM 1310 CD GLU A 82 0.195 -2.082 13.186 1.00 0.00 C ATOM 1311 OE1 GLU A 82 -1.026 -1.973 12.949 1.00 0.00 O ATOM 1312 OE2 GLU A 82 0.816 -1.316 13.953 1.00 0.00 O ATOM 0 H GLU A 82 0.862 -3.057 8.541 1.00 0.00 H new ATOM 0 HA GLU A 82 0.988 -1.119 10.589 1.00 0.00 H new ATOM 0 HB2 GLU A 82 -0.298 -3.188 10.782 1.00 0.00 H new ATOM 0 HB3 GLU A 82 1.152 -4.156 10.604 1.00 0.00 H new ATOM 0 HG2 GLU A 82 0.646 -4.157 12.923 1.00 0.00 H new ATOM 0 HG3 GLU A 82 2.025 -3.093 12.733 1.00 0.00 H new ATOM 1319 N ARG A 83 3.777 -2.600 9.830 1.00 0.00 N ATOM 1320 CA ARG A 83 5.212 -2.627 10.083 1.00 0.00 C ATOM 1321 C ARG A 83 5.885 -1.372 9.535 1.00 0.00 C ATOM 1322 O ARG A 83 6.524 -0.624 10.276 1.00 0.00 O ATOM 1323 CB ARG A 83 5.839 -3.871 9.451 1.00 0.00 C ATOM 1324 CG ARG A 83 5.042 -5.144 9.690 1.00 0.00 C ATOM 1325 CD ARG A 83 5.763 -6.364 9.139 1.00 0.00 C ATOM 1326 NE ARG A 83 5.063 -7.605 9.462 1.00 0.00 N ATOM 1327 CZ ARG A 83 4.970 -8.097 10.692 1.00 0.00 C ATOM 1328 NH1 ARG A 83 5.529 -7.458 11.710 1.00 0.00 N ATOM 1329 NH2 ARG A 83 4.316 -9.232 10.905 1.00 0.00 N ATOM 0 H ARG A 83 3.491 -3.069 8.970 1.00 0.00 H new ATOM 0 HA ARG A 83 5.364 -2.659 11.162 1.00 0.00 H new ATOM 0 HB2 ARG A 83 5.939 -3.711 8.377 1.00 0.00 H new ATOM 0 HB3 ARG A 83 6.845 -4.002 9.849 1.00 0.00 H new ATOM 0 HG2 ARG A 83 4.872 -5.273 10.759 1.00 0.00 H new ATOM 0 HG3 ARG A 83 4.063 -5.055 9.219 1.00 0.00 H new ATOM 0 HD2 ARG A 83 5.857 -6.272 8.057 1.00 0.00 H new ATOM 0 HD3 ARG A 83 6.774 -6.402 9.545 1.00 0.00 H new ATOM 0 HE ARG A 83 4.622 -8.122 8.701 1.00 0.00 H new ATOM 0 HH11 ARG A 83 6.033 -6.586 11.550 1.00 0.00 H new ATOM 0 HH12 ARG A 83 5.456 -7.839 12.653 1.00 0.00 H new ATOM 0 HH21 ARG A 83 3.885 -9.726 10.124 1.00 0.00 H new ATOM 0 HH22 ARG A 83 4.245 -9.610 11.850 1.00 0.00 H new ATOM 1343 N VAL A 84 5.736 -1.147 8.234 1.00 0.00 N ATOM 1344 CA VAL A 84 6.328 0.018 7.587 1.00 0.00 C ATOM 1345 C VAL A 84 6.054 1.288 8.384 1.00 0.00 C ATOM 1346 O VAL A 84 6.923 2.149 8.518 1.00 0.00 O ATOM 1347 CB VAL A 84 5.791 0.198 6.154 1.00 0.00 C ATOM 1348 CG1 VAL A 84 6.238 -0.955 5.268 1.00 0.00 C ATOM 1349 CG2 VAL A 84 4.275 0.317 6.165 1.00 0.00 C ATOM 0 H VAL A 84 5.210 -1.756 7.607 1.00 0.00 H new ATOM 0 HA VAL A 84 7.403 -0.156 7.545 1.00 0.00 H new ATOM 0 HB VAL A 84 6.202 1.120 5.743 1.00 0.00 H new ATOM 0 HG11 VAL A 84 5.849 -0.811 4.260 1.00 0.00 H new ATOM 0 HG12 VAL A 84 7.327 -0.988 5.236 1.00 0.00 H new ATOM 0 HG13 VAL A 84 5.858 -1.893 5.673 1.00 0.00 H new ATOM 0 HG21 VAL A 84 3.913 0.444 5.145 1.00 0.00 H new ATOM 0 HG22 VAL A 84 3.842 -0.587 6.594 1.00 0.00 H new ATOM 0 HG23 VAL A 84 3.982 1.179 6.764 1.00 0.00 H new ATOM 1359 N ARG A 85 4.839 1.398 8.912 1.00 0.00 N ATOM 1360 CA ARG A 85 4.449 2.564 9.696 1.00 0.00 C ATOM 1361 C ARG A 85 5.017 2.482 11.110 1.00 0.00 C ATOM 1362 O ARG A 85 5.521 3.470 11.645 1.00 0.00 O ATOM 1363 CB ARG A 85 2.925 2.680 9.753 1.00 0.00 C ATOM 1364 CG ARG A 85 2.297 1.906 10.900 1.00 0.00 C ATOM 1365 CD ARG A 85 0.779 1.988 10.864 1.00 0.00 C ATOM 1366 NE ARG A 85 0.289 3.278 11.343 1.00 0.00 N ATOM 1367 CZ ARG A 85 -0.907 3.768 11.040 1.00 0.00 C ATOM 1368 NH1 ARG A 85 -1.732 3.079 10.263 1.00 0.00 N ATOM 1369 NH2 ARG A 85 -1.282 4.949 11.515 1.00 0.00 N ATOM 0 H ARG A 85 4.108 0.694 8.811 1.00 0.00 H new ATOM 0 HA ARG A 85 4.856 3.451 9.210 1.00 0.00 H new ATOM 0 HB2 ARG A 85 2.652 3.731 9.843 1.00 0.00 H new ATOM 0 HB3 ARG A 85 2.507 2.322 8.812 1.00 0.00 H new ATOM 0 HG2 ARG A 85 2.607 0.862 10.849 1.00 0.00 H new ATOM 0 HG3 ARG A 85 2.661 2.300 11.849 1.00 0.00 H new ATOM 0 HD2 ARG A 85 0.431 1.824 9.844 1.00 0.00 H new ATOM 0 HD3 ARG A 85 0.358 1.190 11.476 1.00 0.00 H new ATOM 0 HE ARG A 85 0.899 3.833 11.943 1.00 0.00 H new ATOM 0 HH11 ARG A 85 -1.448 2.170 9.897 1.00 0.00 H new ATOM 0 HH12 ARG A 85 -2.650 3.458 10.032 1.00 0.00 H new ATOM 0 HH21 ARG A 85 -0.651 5.482 12.114 1.00 0.00 H new ATOM 0 HH22 ARG A 85 -2.201 5.324 11.281 1.00 0.00 H new