USER MOD reduce.3.24.130724 H: found=0, std=0, add=686, rem=0, adj=16 USER MOD reduce.3.24.130724 removed 687 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 12 HIS : no HD1:sc= -6.21! C(o=-6.2!,f=-5.9!) USER MOD Single : A 20 ASN : amide:sc= -0.175 X(o=-0.17,f=0) USER MOD Single : A 22 GLN : amide:sc= 0 X(o=0,f=-0.17) USER MOD Single : A 23 MET CE :methyl 175:sc= -0.0155 (180deg=-0.0961) USER MOD Single : A 24 THR OG1 : rot 180:sc= 0 USER MOD Single : A 36 SER OG : rot -60:sc= 0.838 USER MOD Single : A 37 THR OG1 : rot 180:sc= -0.0065 USER MOD Single : A 51 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 52 SER OG : rot 180:sc= 0 USER MOD Single : A 60 ASN : amide:sc= -7.51! C(o=-7.5!,f=-9.1!) USER MOD Single : A 64 LYS NZ :NH3+ -167:sc= -0.02 (180deg=-0.228) USER MOD Single : A 66 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 67 ASN : amide:sc= -0.832 K(o=-0.83,f=-1.8) USER MOD Single : A 69 THR OG1 : rot 180:sc= -0.0391 USER MOD Single : A 73 SER OG : rot -71:sc= 0.891 USER MOD Single : A 75 THR OG1 : rot -44:sc= 0.366 USER MOD Single : A 76 TYR OH : rot 104:sc= -0.228 USER MOD Single : A 77 ASN : amide:sc= -3.87! C(o=-3.9!,f=-6.5!) USER MOD Single : A 79 THR OG1 : rot 147:sc= 0.323 USER MOD Single : A 81 TYR OH : rot 180:sc= 0 USER MOD Single : A 82 SER OG : rot 166:sc= -3.69 USER MOD Single : A 83 THR OG1 : rot 180:sc= 0.0663 USER MOD Single : A 84 ASN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 86 THR OG1 : rot 180:sc= 0 USER MOD Single : A 90 ASN :FLIP amide:sc= -0.0831 F(o=-0.68,f=-0.083) USER MOD Single : A 91 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD ----------------------------------------------------------------- ATOM 71 N VAL A 6 12.693 5.659 -1.268 1.00 0.00 N ATOM 72 CA VAL A 6 12.990 5.259 0.092 1.00 0.00 C ATOM 73 C VAL A 6 14.194 4.320 0.128 1.00 0.00 C ATOM 74 O VAL A 6 14.422 3.555 -0.808 1.00 0.00 O ATOM 75 CB VAL A 6 11.763 4.567 0.720 1.00 0.00 C ATOM 76 CG1 VAL A 6 11.840 3.084 0.515 1.00 0.00 C ATOM 77 CG2 VAL A 6 11.618 4.912 2.197 1.00 0.00 C ATOM 0 HA VAL A 6 13.231 6.152 0.669 1.00 0.00 H new ATOM 0 HB VAL A 6 10.872 4.940 0.215 1.00 0.00 H new ATOM 0 HG11 VAL A 6 10.967 2.609 0.963 1.00 0.00 H new ATOM 0 HG12 VAL A 6 11.864 2.865 -0.553 1.00 0.00 H new ATOM 0 HG13 VAL A 6 12.745 2.698 0.985 1.00 0.00 H new ATOM 0 HG21 VAL A 6 10.743 4.406 2.605 1.00 0.00 H new ATOM 0 HG22 VAL A 6 12.508 4.587 2.736 1.00 0.00 H new ATOM 0 HG23 VAL A 6 11.499 5.990 2.309 1.00 0.00 H new ATOM 87 N TRP A 7 14.953 4.376 1.212 1.00 0.00 N ATOM 88 CA TRP A 7 16.124 3.524 1.361 1.00 0.00 C ATOM 89 C TRP A 7 15.971 2.606 2.568 1.00 0.00 C ATOM 90 O TRP A 7 15.668 3.060 3.671 1.00 0.00 O ATOM 91 CB TRP A 7 17.384 4.378 1.494 1.00 0.00 C ATOM 92 CG TRP A 7 17.645 5.219 0.282 1.00 0.00 C ATOM 93 CD1 TRP A 7 17.117 6.447 0.006 1.00 0.00 C ATOM 94 CD2 TRP A 7 18.490 4.886 -0.825 1.00 0.00 C ATOM 95 NE1 TRP A 7 17.585 6.900 -1.204 1.00 0.00 N ATOM 96 CE2 TRP A 7 18.430 5.961 -1.733 1.00 0.00 C ATOM 97 CE3 TRP A 7 19.294 3.786 -1.134 1.00 0.00 C ATOM 98 CZ2 TRP A 7 19.143 5.964 -2.929 1.00 0.00 C ATOM 99 CZ3 TRP A 7 20.000 3.791 -2.322 1.00 0.00 C ATOM 100 CH2 TRP A 7 19.922 4.874 -3.206 1.00 0.00 C ATOM 0 H TRP A 7 14.780 5.001 2.000 1.00 0.00 H new ATOM 0 HA TRP A 7 16.216 2.903 0.470 1.00 0.00 H new ATOM 0 HB2 TRP A 7 17.289 5.025 2.366 1.00 0.00 H new ATOM 0 HB3 TRP A 7 18.241 3.728 1.671 1.00 0.00 H new ATOM 0 HD1 TRP A 7 16.432 6.984 0.645 1.00 0.00 H new ATOM 0 HE1 TRP A 7 17.342 7.791 -1.638 1.00 0.00 H new ATOM 0 HE3 TRP A 7 19.363 2.947 -0.457 1.00 0.00 H new ATOM 0 HZ2 TRP A 7 19.083 6.797 -3.614 1.00 0.00 H new ATOM 0 HZ3 TRP A 7 20.623 2.945 -2.573 1.00 0.00 H new ATOM 0 HH2 TRP A 7 20.488 4.848 -4.125 1.00 0.00 H new ATOM 111 N GLY A 8 16.179 1.311 2.351 1.00 0.00 N ATOM 112 CA GLY A 8 16.051 0.352 3.445 1.00 0.00 C ATOM 113 C GLY A 8 17.058 -0.779 3.354 1.00 0.00 C ATOM 114 O GLY A 8 17.864 -0.820 2.428 1.00 0.00 O ATOM 0 H GLY A 8 16.431 0.907 1.449 1.00 0.00 H new ATOM 0 HA2 GLY A 8 16.179 0.871 4.395 1.00 0.00 H new ATOM 0 HA3 GLY A 8 15.043 -0.063 3.442 1.00 0.00 H new ATOM 118 N ALA A 9 17.017 -1.698 4.318 1.00 0.00 N ATOM 119 CA ALA A 9 17.937 -2.828 4.330 1.00 0.00 C ATOM 120 C ALA A 9 17.183 -4.148 4.388 1.00 0.00 C ATOM 121 O ALA A 9 16.245 -4.307 5.169 1.00 0.00 O ATOM 122 CB ALA A 9 18.900 -2.721 5.501 1.00 0.00 C ATOM 0 H ALA A 9 16.358 -1.680 5.097 1.00 0.00 H new ATOM 0 HA ALA A 9 18.509 -2.803 3.402 1.00 0.00 H new ATOM 0 HB1 ALA A 9 19.579 -3.574 5.493 1.00 0.00 H new ATOM 0 HB2 ALA A 9 19.475 -1.799 5.416 1.00 0.00 H new ATOM 0 HB3 ALA A 9 18.338 -2.714 6.435 1.00 0.00 H new ATOM 128 N LEU A 10 17.602 -5.094 3.559 1.00 0.00 N ATOM 129 CA LEU A 10 16.967 -6.407 3.512 1.00 0.00 C ATOM 130 C LEU A 10 16.896 -7.033 4.898 1.00 0.00 C ATOM 131 O LEU A 10 17.872 -7.018 5.650 1.00 0.00 O ATOM 132 CB LEU A 10 17.736 -7.330 2.563 1.00 0.00 C ATOM 133 CG LEU A 10 16.876 -8.240 1.685 1.00 0.00 C ATOM 134 CD1 LEU A 10 16.419 -7.499 0.439 1.00 0.00 C ATOM 135 CD2 LEU A 10 17.652 -9.490 1.310 1.00 0.00 C ATOM 0 H LEU A 10 18.379 -4.978 2.909 1.00 0.00 H new ATOM 0 HA LEU A 10 15.950 -6.276 3.143 1.00 0.00 H new ATOM 0 HB2 LEU A 10 18.362 -6.716 1.915 1.00 0.00 H new ATOM 0 HB3 LEU A 10 18.406 -7.954 3.155 1.00 0.00 H new ATOM 0 HG LEU A 10 15.992 -8.537 2.249 1.00 0.00 H new ATOM 0 HD11 LEU A 10 15.808 -8.161 -0.175 1.00 0.00 H new ATOM 0 HD12 LEU A 10 15.831 -6.628 0.729 1.00 0.00 H new ATOM 0 HD13 LEU A 10 17.289 -7.176 -0.132 1.00 0.00 H new ATOM 0 HD21 LEU A 10 17.030 -10.131 0.685 1.00 0.00 H new ATOM 0 HD22 LEU A 10 18.551 -9.209 0.761 1.00 0.00 H new ATOM 0 HD23 LEU A 10 17.933 -10.029 2.215 1.00 0.00 H new ATOM 147 N GLY A 11 15.735 -7.584 5.228 1.00 0.00 N ATOM 148 CA GLY A 11 15.556 -8.210 6.520 1.00 0.00 C ATOM 149 C GLY A 11 15.131 -7.230 7.598 1.00 0.00 C ATOM 150 O GLY A 11 14.827 -7.635 8.719 1.00 0.00 O ATOM 0 H GLY A 11 14.915 -7.608 4.622 1.00 0.00 H new ATOM 0 HA2 GLY A 11 14.807 -8.997 6.436 1.00 0.00 H new ATOM 0 HA3 GLY A 11 16.489 -8.688 6.818 1.00 0.00 H new ATOM 154 N HIS A 12 15.107 -5.937 7.270 1.00 0.00 N ATOM 155 CA HIS A 12 14.714 -4.928 8.234 1.00 0.00 C ATOM 156 C HIS A 12 13.312 -4.409 7.906 1.00 0.00 C ATOM 157 O HIS A 12 12.763 -4.715 6.843 1.00 0.00 O ATOM 158 CB HIS A 12 15.773 -3.814 8.256 1.00 0.00 C ATOM 159 CG HIS A 12 15.244 -2.420 8.277 1.00 0.00 C ATOM 160 ND1 HIS A 12 15.011 -1.710 9.435 1.00 0.00 N ATOM 161 CD2 HIS A 12 14.952 -1.592 7.260 1.00 0.00 C ATOM 162 CE1 HIS A 12 14.597 -0.494 9.123 1.00 0.00 C ATOM 163 NE2 HIS A 12 14.554 -0.397 7.807 1.00 0.00 N ATOM 0 H HIS A 12 15.354 -5.574 6.350 1.00 0.00 H new ATOM 0 HA HIS A 12 14.663 -5.354 9.236 1.00 0.00 H new ATOM 0 HB2 HIS A 12 16.405 -3.956 9.132 1.00 0.00 H new ATOM 0 HB3 HIS A 12 16.412 -3.928 7.380 1.00 0.00 H new ATOM 0 HD2 HIS A 12 15.018 -1.823 6.207 1.00 0.00 H new ATOM 0 HE1 HIS A 12 14.338 0.286 9.824 1.00 0.00 H new ATOM 0 HE2 HIS A 12 14.271 0.431 7.282 1.00 0.00 H new ATOM 172 N GLY A 13 12.732 -3.655 8.833 1.00 0.00 N ATOM 173 CA GLY A 13 11.386 -3.133 8.639 1.00 0.00 C ATOM 174 C GLY A 13 11.336 -1.946 7.700 1.00 0.00 C ATOM 175 O GLY A 13 12.355 -1.325 7.420 1.00 0.00 O ATOM 0 H GLY A 13 13.168 -3.394 9.717 1.00 0.00 H new ATOM 0 HA2 GLY A 13 10.749 -3.926 8.246 1.00 0.00 H new ATOM 0 HA3 GLY A 13 10.974 -2.842 9.605 1.00 0.00 H new ATOM 179 N ILE A 14 10.145 -1.626 7.209 1.00 0.00 N ATOM 180 CA ILE A 14 9.978 -0.502 6.295 1.00 0.00 C ATOM 181 C ILE A 14 8.506 -0.303 5.939 1.00 0.00 C ATOM 182 O ILE A 14 7.772 -1.270 5.726 1.00 0.00 O ATOM 183 CB ILE A 14 10.816 -0.704 5.010 1.00 0.00 C ATOM 184 CG1 ILE A 14 10.917 0.600 4.218 1.00 0.00 C ATOM 185 CG2 ILE A 14 10.236 -1.813 4.145 1.00 0.00 C ATOM 186 CD1 ILE A 14 12.163 1.400 4.533 1.00 0.00 C ATOM 0 H ILE A 14 9.283 -2.126 7.427 1.00 0.00 H new ATOM 0 HA ILE A 14 10.335 0.394 6.803 1.00 0.00 H new ATOM 0 HB ILE A 14 11.820 -1.002 5.310 1.00 0.00 H new ATOM 0 HG12 ILE A 14 10.901 0.371 3.152 1.00 0.00 H new ATOM 0 HG13 ILE A 14 10.039 1.212 4.426 1.00 0.00 H new ATOM 0 HG21 ILE A 14 10.846 -1.932 3.249 1.00 0.00 H new ATOM 0 HG22 ILE A 14 10.230 -2.747 4.707 1.00 0.00 H new ATOM 0 HG23 ILE A 14 9.216 -1.555 3.858 1.00 0.00 H new ATOM 0 HD11 ILE A 14 12.170 2.312 3.936 1.00 0.00 H new ATOM 0 HD12 ILE A 14 12.171 1.659 5.592 1.00 0.00 H new ATOM 0 HD13 ILE A 14 13.046 0.806 4.298 1.00 0.00 H new ATOM 198 N ASP A 15 8.076 0.954 5.888 1.00 0.00 N ATOM 199 CA ASP A 15 6.688 1.272 5.569 1.00 0.00 C ATOM 200 C ASP A 15 6.596 2.245 4.395 1.00 0.00 C ATOM 201 O ASP A 15 7.292 3.259 4.358 1.00 0.00 O ATOM 202 CB ASP A 15 5.991 1.866 6.797 1.00 0.00 C ATOM 203 CG ASP A 15 4.561 2.289 6.511 1.00 0.00 C ATOM 204 OD1 ASP A 15 4.366 3.189 5.668 1.00 0.00 O ATOM 205 OD2 ASP A 15 3.639 1.722 7.134 1.00 0.00 O ATOM 0 H ASP A 15 8.667 1.767 6.063 1.00 0.00 H new ATOM 0 HA ASP A 15 6.188 0.347 5.281 1.00 0.00 H new ATOM 0 HB2 ASP A 15 5.994 1.132 7.602 1.00 0.00 H new ATOM 0 HB3 ASP A 15 6.557 2.728 7.150 1.00 0.00 H new ATOM 210 N LEU A 16 5.716 1.931 3.449 1.00 0.00 N ATOM 211 CA LEU A 16 5.507 2.778 2.277 1.00 0.00 C ATOM 212 C LEU A 16 4.463 3.845 2.597 1.00 0.00 C ATOM 213 O LEU A 16 3.338 3.523 2.981 1.00 0.00 O ATOM 214 CB LEU A 16 5.033 1.928 1.085 1.00 0.00 C ATOM 215 CG LEU A 16 6.049 1.644 -0.045 1.00 0.00 C ATOM 216 CD1 LEU A 16 7.435 2.199 0.254 1.00 0.00 C ATOM 217 CD2 LEU A 16 6.132 0.147 -0.308 1.00 0.00 C ATOM 0 H LEU A 16 5.134 1.094 3.471 1.00 0.00 H new ATOM 0 HA LEU A 16 6.449 3.259 2.014 1.00 0.00 H new ATOM 0 HB2 LEU A 16 4.687 0.970 1.473 1.00 0.00 H new ATOM 0 HB3 LEU A 16 4.169 2.424 0.642 1.00 0.00 H new ATOM 0 HG LEU A 16 5.686 2.158 -0.935 1.00 0.00 H new ATOM 0 HD11 LEU A 16 8.105 1.969 -0.574 1.00 0.00 H new ATOM 0 HD12 LEU A 16 7.374 3.280 0.383 1.00 0.00 H new ATOM 0 HD13 LEU A 16 7.819 1.746 1.168 1.00 0.00 H new ATOM 0 HD21 LEU A 16 6.850 -0.043 -1.106 1.00 0.00 H new ATOM 0 HD22 LEU A 16 6.453 -0.365 0.599 1.00 0.00 H new ATOM 0 HD23 LEU A 16 5.152 -0.225 -0.606 1.00 0.00 H new ATOM 229 N ASP A 17 4.834 5.113 2.450 1.00 0.00 N ATOM 230 CA ASP A 17 3.913 6.206 2.741 1.00 0.00 C ATOM 231 C ASP A 17 3.353 6.826 1.465 1.00 0.00 C ATOM 232 O ASP A 17 4.099 7.264 0.590 1.00 0.00 O ATOM 233 CB ASP A 17 4.602 7.279 3.580 1.00 0.00 C ATOM 234 CG ASP A 17 4.814 6.840 5.017 1.00 0.00 C ATOM 235 OD1 ASP A 17 3.998 6.038 5.520 1.00 0.00 O ATOM 236 OD2 ASP A 17 5.796 7.298 5.639 1.00 0.00 O ATOM 0 H ASP A 17 5.758 5.408 2.134 1.00 0.00 H new ATOM 0 HA ASP A 17 3.081 5.787 3.307 1.00 0.00 H new ATOM 0 HB2 ASP A 17 5.565 7.525 3.132 1.00 0.00 H new ATOM 0 HB3 ASP A 17 4.002 8.189 3.565 1.00 0.00 H new ATOM 241 N ILE A 18 2.028 6.857 1.377 1.00 0.00 N ATOM 242 CA ILE A 18 1.337 7.419 0.223 1.00 0.00 C ATOM 243 C ILE A 18 1.268 8.945 0.304 1.00 0.00 C ATOM 244 O ILE A 18 0.696 9.496 1.245 1.00 0.00 O ATOM 245 CB ILE A 18 -0.093 6.860 0.126 1.00 0.00 C ATOM 246 CG1 ILE A 18 -0.053 5.332 0.085 1.00 0.00 C ATOM 247 CG2 ILE A 18 -0.813 7.416 -1.098 1.00 0.00 C ATOM 248 CD1 ILE A 18 -1.271 4.716 -0.561 1.00 0.00 C ATOM 0 H ILE A 18 1.406 6.495 2.100 1.00 0.00 H new ATOM 0 HA ILE A 18 1.905 7.137 -0.664 1.00 0.00 H new ATOM 0 HB ILE A 18 -0.650 7.173 1.009 1.00 0.00 H new ATOM 0 HG12 ILE A 18 0.837 5.014 -0.458 1.00 0.00 H new ATOM 0 HG13 ILE A 18 0.041 4.951 1.102 1.00 0.00 H new ATOM 0 HG21 ILE A 18 -1.822 7.006 -1.144 1.00 0.00 H new ATOM 0 HG22 ILE A 18 -0.866 8.502 -1.027 1.00 0.00 H new ATOM 0 HG23 ILE A 18 -0.267 7.138 -1.999 1.00 0.00 H new ATOM 0 HD11 ILE A 18 -1.176 3.630 -0.556 1.00 0.00 H new ATOM 0 HD12 ILE A 18 -2.163 5.004 -0.005 1.00 0.00 H new ATOM 0 HD13 ILE A 18 -1.355 5.068 -1.589 1.00 0.00 H new ATOM 260 N PRO A 19 1.854 9.654 -0.680 1.00 0.00 N ATOM 261 CA PRO A 19 1.852 11.121 -0.699 1.00 0.00 C ATOM 262 C PRO A 19 0.444 11.718 -0.739 1.00 0.00 C ATOM 263 O PRO A 19 -0.389 11.328 -1.557 1.00 0.00 O ATOM 264 CB PRO A 19 2.612 11.472 -1.984 1.00 0.00 C ATOM 265 CG PRO A 19 3.399 10.251 -2.315 1.00 0.00 C ATOM 266 CD PRO A 19 2.573 9.092 -1.838 1.00 0.00 C ATOM 0 HA PRO A 19 2.303 11.526 0.207 1.00 0.00 H new ATOM 0 HB2 PRO A 19 1.925 11.729 -2.790 1.00 0.00 H new ATOM 0 HB3 PRO A 19 3.264 12.333 -1.834 1.00 0.00 H new ATOM 0 HG2 PRO A 19 3.585 10.184 -3.387 1.00 0.00 H new ATOM 0 HG3 PRO A 19 4.372 10.267 -1.823 1.00 0.00 H new ATOM 0 HD2 PRO A 19 1.886 8.741 -2.608 1.00 0.00 H new ATOM 0 HD3 PRO A 19 3.194 8.243 -1.554 1.00 0.00 H new ATOM 274 N ASN A 20 0.204 12.683 0.144 1.00 0.00 N ATOM 275 CA ASN A 20 -1.083 13.379 0.229 1.00 0.00 C ATOM 276 C ASN A 20 -2.286 12.437 0.098 1.00 0.00 C ATOM 277 O ASN A 20 -3.061 12.540 -0.854 1.00 0.00 O ATOM 278 CB ASN A 20 -1.159 14.463 -0.848 1.00 0.00 C ATOM 279 CG ASN A 20 -1.923 15.687 -0.383 1.00 0.00 C ATOM 280 OD1 ASN A 20 -1.372 16.786 -0.307 1.00 0.00 O ATOM 281 ND2 ASN A 20 -3.200 15.504 -0.069 1.00 0.00 N ATOM 0 H ASN A 20 0.894 13.007 0.822 1.00 0.00 H new ATOM 0 HA ASN A 20 -1.135 13.825 1.222 1.00 0.00 H new ATOM 0 HB2 ASN A 20 -0.150 14.756 -1.137 1.00 0.00 H new ATOM 0 HB3 ASN A 20 -1.639 14.055 -1.737 1.00 0.00 H new ATOM 0 HD21 ASN A 20 -3.765 16.291 0.250 1.00 0.00 H new ATOM 0 HD22 ASN A 20 -3.616 14.576 -0.147 1.00 0.00 H new ATOM 288 N PHE A 21 -2.450 11.534 1.061 1.00 0.00 N ATOM 289 CA PHE A 21 -3.566 10.603 1.054 1.00 0.00 C ATOM 290 C PHE A 21 -4.126 10.427 2.466 1.00 0.00 C ATOM 291 O PHE A 21 -3.395 10.527 3.451 1.00 0.00 O ATOM 292 CB PHE A 21 -3.115 9.262 0.481 1.00 0.00 C ATOM 293 CG PHE A 21 -3.943 8.093 0.922 1.00 0.00 C ATOM 294 CD1 PHE A 21 -5.272 8.001 0.561 1.00 0.00 C ATOM 295 CD2 PHE A 21 -3.391 7.101 1.708 1.00 0.00 C ATOM 296 CE1 PHE A 21 -6.044 6.933 0.980 1.00 0.00 C ATOM 297 CE2 PHE A 21 -4.152 6.027 2.129 1.00 0.00 C ATOM 298 CZ PHE A 21 -5.481 5.943 1.764 1.00 0.00 C ATOM 0 H PHE A 21 -1.820 11.430 1.857 1.00 0.00 H new ATOM 0 HA PHE A 21 -4.360 11.005 0.424 1.00 0.00 H new ATOM 0 HB2 PHE A 21 -3.138 9.319 -0.607 1.00 0.00 H new ATOM 0 HB3 PHE A 21 -2.078 9.087 0.769 1.00 0.00 H new ATOM 0 HD1 PHE A 21 -5.713 8.771 -0.055 1.00 0.00 H new ATOM 0 HD2 PHE A 21 -2.352 7.165 1.997 1.00 0.00 H new ATOM 0 HE1 PHE A 21 -7.084 6.872 0.696 1.00 0.00 H new ATOM 0 HE2 PHE A 21 -3.709 5.256 2.742 1.00 0.00 H new ATOM 0 HZ PHE A 21 -6.080 5.105 2.090 1.00 0.00 H new ATOM 308 N GLN A 22 -5.426 10.164 2.552 1.00 0.00 N ATOM 309 CA GLN A 22 -6.083 9.973 3.840 1.00 0.00 C ATOM 310 C GLN A 22 -7.016 8.768 3.802 1.00 0.00 C ATOM 311 O GLN A 22 -7.990 8.747 3.049 1.00 0.00 O ATOM 312 CB GLN A 22 -6.868 11.229 4.225 1.00 0.00 C ATOM 313 CG GLN A 22 -6.051 12.237 5.018 1.00 0.00 C ATOM 314 CD GLN A 22 -6.573 13.653 4.872 1.00 0.00 C ATOM 315 OE1 GLN A 22 -7.778 13.873 4.746 1.00 0.00 O ATOM 316 NE2 GLN A 22 -5.665 14.622 4.889 1.00 0.00 N ATOM 0 H GLN A 22 -6.045 10.078 1.746 1.00 0.00 H new ATOM 0 HA GLN A 22 -5.313 9.789 4.589 1.00 0.00 H new ATOM 0 HB2 GLN A 22 -7.240 11.707 3.319 1.00 0.00 H new ATOM 0 HB3 GLN A 22 -7.739 10.938 4.812 1.00 0.00 H new ATOM 0 HG2 GLN A 22 -6.059 11.957 6.072 1.00 0.00 H new ATOM 0 HG3 GLN A 22 -5.013 12.200 4.686 1.00 0.00 H new ATOM 0 HE21 GLN A 22 -4.677 14.393 4.996 1.00 0.00 H new ATOM 0 HE22 GLN A 22 -5.956 15.595 4.795 1.00 0.00 H new ATOM 325 N MET A 23 -6.712 7.765 4.618 1.00 0.00 N ATOM 326 CA MET A 23 -7.524 6.555 4.678 1.00 0.00 C ATOM 327 C MET A 23 -8.665 6.714 5.678 1.00 0.00 C ATOM 328 O MET A 23 -8.556 6.295 6.830 1.00 0.00 O ATOM 329 CB MET A 23 -6.659 5.353 5.060 1.00 0.00 C ATOM 330 CG MET A 23 -7.423 4.040 5.099 1.00 0.00 C ATOM 331 SD MET A 23 -7.231 3.080 3.585 1.00 0.00 S ATOM 332 CE MET A 23 -8.845 2.311 3.463 1.00 0.00 C ATOM 0 H MET A 23 -5.909 7.766 5.247 1.00 0.00 H new ATOM 0 HA MET A 23 -7.952 6.386 3.690 1.00 0.00 H new ATOM 0 HB2 MET A 23 -5.839 5.265 4.347 1.00 0.00 H new ATOM 0 HB3 MET A 23 -6.213 5.533 6.038 1.00 0.00 H new ATOM 0 HG2 MET A 23 -7.077 3.448 5.946 1.00 0.00 H new ATOM 0 HG3 MET A 23 -8.481 4.244 5.263 1.00 0.00 H new ATOM 0 HE1 MET A 23 -8.913 1.754 2.528 1.00 0.00 H new ATOM 0 HE2 MET A 23 -8.988 1.630 4.302 1.00 0.00 H new ATOM 0 HE3 MET A 23 -9.617 3.080 3.484 1.00 0.00 H new ATOM 342 N THR A 24 -9.758 7.322 5.229 1.00 0.00 N ATOM 343 CA THR A 24 -10.919 7.538 6.084 1.00 0.00 C ATOM 344 C THR A 24 -12.124 6.756 5.571 1.00 0.00 C ATOM 345 O THR A 24 -12.010 5.965 4.635 1.00 0.00 O ATOM 346 CB THR A 24 -11.256 9.028 6.157 1.00 0.00 C ATOM 347 OG1 THR A 24 -11.693 9.505 4.896 1.00 0.00 O ATOM 348 CG2 THR A 24 -10.088 9.885 6.593 1.00 0.00 C ATOM 0 H THR A 24 -9.864 7.674 4.278 1.00 0.00 H new ATOM 0 HA THR A 24 -10.674 7.180 7.084 1.00 0.00 H new ATOM 0 HB THR A 24 -12.044 9.110 6.905 1.00 0.00 H new ATOM 0 HG1 THR A 24 -11.906 10.459 4.963 1.00 0.00 H new ATOM 0 HG21 THR A 24 -10.395 10.930 6.624 1.00 0.00 H new ATOM 0 HG22 THR A 24 -9.759 9.574 7.585 1.00 0.00 H new ATOM 0 HG23 THR A 24 -9.267 9.769 5.885 1.00 0.00 H new ATOM 356 N ASP A 25 -13.280 6.985 6.188 1.00 0.00 N ATOM 357 CA ASP A 25 -14.507 6.302 5.792 1.00 0.00 C ATOM 358 C ASP A 25 -14.834 6.578 4.328 1.00 0.00 C ATOM 359 O ASP A 25 -15.409 5.734 3.640 1.00 0.00 O ATOM 360 CB ASP A 25 -15.671 6.746 6.679 1.00 0.00 C ATOM 361 CG ASP A 25 -15.863 8.250 6.671 1.00 0.00 C ATOM 362 OD1 ASP A 25 -16.169 8.804 5.595 1.00 0.00 O ATOM 363 OD2 ASP A 25 -15.707 8.873 7.742 1.00 0.00 O ATOM 0 H ASP A 25 -13.392 7.638 6.964 1.00 0.00 H new ATOM 0 HA ASP A 25 -14.353 5.230 5.916 1.00 0.00 H new ATOM 0 HB2 ASP A 25 -16.588 6.264 6.339 1.00 0.00 H new ATOM 0 HB3 ASP A 25 -15.494 6.410 7.701 1.00 0.00 H new ATOM 368 N ASP A 26 -14.463 7.763 3.857 1.00 0.00 N ATOM 369 CA ASP A 26 -14.715 8.151 2.474 1.00 0.00 C ATOM 370 C ASP A 26 -13.979 7.229 1.506 1.00 0.00 C ATOM 371 O ASP A 26 -14.386 7.072 0.354 1.00 0.00 O ATOM 372 CB ASP A 26 -14.283 9.600 2.242 1.00 0.00 C ATOM 373 CG ASP A 26 -15.402 10.587 2.513 1.00 0.00 C ATOM 374 OD1 ASP A 26 -16.197 10.342 3.445 1.00 0.00 O ATOM 375 OD2 ASP A 26 -15.483 11.605 1.795 1.00 0.00 O ATOM 0 H ASP A 26 -13.986 8.473 4.413 1.00 0.00 H new ATOM 0 HA ASP A 26 -15.786 8.063 2.289 1.00 0.00 H new ATOM 0 HB2 ASP A 26 -13.435 9.831 2.886 1.00 0.00 H new ATOM 0 HB3 ASP A 26 -13.942 9.714 1.213 1.00 0.00 H new ATOM 380 N ILE A 27 -12.896 6.619 1.979 1.00 0.00 N ATOM 381 CA ILE A 27 -12.108 5.714 1.158 1.00 0.00 C ATOM 382 C ILE A 27 -12.776 4.331 1.091 1.00 0.00 C ATOM 383 O ILE A 27 -13.109 3.756 2.127 1.00 0.00 O ATOM 384 CB ILE A 27 -10.678 5.585 1.726 1.00 0.00 C ATOM 385 CG1 ILE A 27 -9.944 6.922 1.597 1.00 0.00 C ATOM 386 CG2 ILE A 27 -9.899 4.483 1.020 1.00 0.00 C ATOM 387 CD1 ILE A 27 -9.799 7.395 0.167 1.00 0.00 C ATOM 0 H ILE A 27 -12.546 6.738 2.930 1.00 0.00 H new ATOM 0 HA ILE A 27 -12.051 6.123 0.149 1.00 0.00 H new ATOM 0 HB ILE A 27 -10.753 5.316 2.780 1.00 0.00 H new ATOM 0 HG12 ILE A 27 -10.481 7.679 2.169 1.00 0.00 H new ATOM 0 HG13 ILE A 27 -8.954 6.828 2.043 1.00 0.00 H new ATOM 0 HG21 ILE A 27 -8.897 4.418 1.443 1.00 0.00 H new ATOM 0 HG22 ILE A 27 -10.412 3.531 1.155 1.00 0.00 H new ATOM 0 HG23 ILE A 27 -9.830 4.711 -0.044 1.00 0.00 H new ATOM 0 HD11 ILE A 27 -9.270 8.348 0.151 1.00 0.00 H new ATOM 0 HD12 ILE A 27 -9.236 6.657 -0.405 1.00 0.00 H new ATOM 0 HD13 ILE A 27 -10.787 7.521 -0.276 1.00 0.00 H new ATOM 399 N ASP A 28 -12.987 3.801 -0.120 1.00 0.00 N ATOM 400 CA ASP A 28 -13.625 2.503 -0.279 1.00 0.00 C ATOM 401 C ASP A 28 -12.614 1.418 -0.625 1.00 0.00 C ATOM 402 O ASP A 28 -12.729 0.290 -0.147 1.00 0.00 O ATOM 403 CB ASP A 28 -14.702 2.576 -1.361 1.00 0.00 C ATOM 404 CG ASP A 28 -15.953 1.805 -0.985 1.00 0.00 C ATOM 405 OD1 ASP A 28 -16.311 1.802 0.212 1.00 0.00 O ATOM 406 OD2 ASP A 28 -16.575 1.206 -1.887 1.00 0.00 O ATOM 0 H ASP A 28 -12.724 4.254 -0.995 1.00 0.00 H new ATOM 0 HA ASP A 28 -14.084 2.241 0.674 1.00 0.00 H new ATOM 0 HB2 ASP A 28 -14.962 3.619 -1.541 1.00 0.00 H new ATOM 0 HB3 ASP A 28 -14.302 2.181 -2.295 1.00 0.00 H new ATOM 411 N GLU A 29 -11.622 1.746 -1.455 1.00 0.00 N ATOM 412 CA GLU A 29 -10.622 0.744 -1.827 1.00 0.00 C ATOM 413 C GLU A 29 -9.221 1.328 -1.932 1.00 0.00 C ATOM 414 O GLU A 29 -9.032 2.504 -2.237 1.00 0.00 O ATOM 415 CB GLU A 29 -10.993 0.047 -3.140 1.00 0.00 C ATOM 416 CG GLU A 29 -12.427 -0.439 -3.178 1.00 0.00 C ATOM 417 CD GLU A 29 -12.602 -1.677 -4.034 1.00 0.00 C ATOM 418 OE1 GLU A 29 -11.596 -2.377 -4.281 1.00 0.00 O ATOM 419 OE2 GLU A 29 -13.745 -1.949 -4.458 1.00 0.00 O ATOM 0 H GLU A 29 -11.491 2.668 -1.871 1.00 0.00 H new ATOM 0 HA GLU A 29 -10.617 0.009 -1.022 1.00 0.00 H new ATOM 0 HB2 GLU A 29 -10.829 0.737 -3.968 1.00 0.00 H new ATOM 0 HB3 GLU A 29 -10.325 -0.801 -3.294 1.00 0.00 H new ATOM 0 HG2 GLU A 29 -12.761 -0.654 -2.163 1.00 0.00 H new ATOM 0 HG3 GLU A 29 -13.066 0.356 -3.562 1.00 0.00 H new ATOM 426 N VAL A 30 -8.247 0.465 -1.681 1.00 0.00 N ATOM 427 CA VAL A 30 -6.836 0.829 -1.742 1.00 0.00 C ATOM 428 C VAL A 30 -6.016 -0.350 -2.256 1.00 0.00 C ATOM 429 O VAL A 30 -5.829 -1.340 -1.549 1.00 0.00 O ATOM 430 CB VAL A 30 -6.302 1.253 -0.360 1.00 0.00 C ATOM 431 CG1 VAL A 30 -4.855 1.714 -0.459 1.00 0.00 C ATOM 432 CG2 VAL A 30 -7.178 2.345 0.238 1.00 0.00 C ATOM 0 H VAL A 30 -8.412 -0.509 -1.429 1.00 0.00 H new ATOM 0 HA VAL A 30 -6.742 1.675 -2.423 1.00 0.00 H new ATOM 0 HB VAL A 30 -6.336 0.387 0.301 1.00 0.00 H new ATOM 0 HG11 VAL A 30 -4.499 2.009 0.528 1.00 0.00 H new ATOM 0 HG12 VAL A 30 -4.239 0.899 -0.839 1.00 0.00 H new ATOM 0 HG13 VAL A 30 -4.790 2.565 -1.137 1.00 0.00 H new ATOM 0 HG21 VAL A 30 -6.786 2.632 1.214 1.00 0.00 H new ATOM 0 HG22 VAL A 30 -7.180 3.212 -0.422 1.00 0.00 H new ATOM 0 HG23 VAL A 30 -8.196 1.973 0.351 1.00 0.00 H new ATOM 442 N ARG A 31 -5.549 -0.254 -3.498 1.00 0.00 N ATOM 443 CA ARG A 31 -4.776 -1.335 -4.104 1.00 0.00 C ATOM 444 C ARG A 31 -3.278 -1.047 -4.098 1.00 0.00 C ATOM 445 O ARG A 31 -2.827 -0.020 -4.602 1.00 0.00 O ATOM 446 CB ARG A 31 -5.243 -1.593 -5.544 1.00 0.00 C ATOM 447 CG ARG A 31 -6.662 -1.125 -5.828 1.00 0.00 C ATOM 448 CD ARG A 31 -7.127 -1.566 -7.207 1.00 0.00 C ATOM 449 NE ARG A 31 -7.871 -2.823 -7.158 1.00 0.00 N ATOM 450 CZ ARG A 31 -8.674 -3.247 -8.131 1.00 0.00 C ATOM 451 NH1 ARG A 31 -8.840 -2.520 -9.229 1.00 0.00 N ATOM 452 NH2 ARG A 31 -9.312 -4.403 -8.006 1.00 0.00 N ATOM 0 H ARG A 31 -5.691 0.556 -4.102 1.00 0.00 H new ATOM 0 HA ARG A 31 -4.950 -2.224 -3.498 1.00 0.00 H new ATOM 0 HB2 ARG A 31 -4.562 -1.091 -6.231 1.00 0.00 H new ATOM 0 HB3 ARG A 31 -5.175 -2.661 -5.751 1.00 0.00 H new ATOM 0 HG2 ARG A 31 -7.337 -1.524 -5.070 1.00 0.00 H new ATOM 0 HG3 ARG A 31 -6.709 -0.038 -5.757 1.00 0.00 H new ATOM 0 HD2 ARG A 31 -7.755 -0.790 -7.643 1.00 0.00 H new ATOM 0 HD3 ARG A 31 -6.263 -1.681 -7.861 1.00 0.00 H new ATOM 0 HE ARG A 31 -7.769 -3.410 -6.330 1.00 0.00 H new ATOM 0 HH11 ARG A 31 -8.351 -1.631 -9.331 1.00 0.00 H new ATOM 0 HH12 ARG A 31 -9.457 -2.851 -9.971 1.00 0.00 H new ATOM 0 HH21 ARG A 31 -9.187 -4.966 -7.165 1.00 0.00 H new ATOM 0 HH22 ARG A 31 -9.928 -4.729 -8.751 1.00 0.00 H new ATOM 466 N TRP A 32 -2.515 -1.987 -3.547 1.00 0.00 N ATOM 467 CA TRP A 32 -1.063 -1.879 -3.494 1.00 0.00 C ATOM 468 C TRP A 32 -0.457 -2.819 -4.528 1.00 0.00 C ATOM 469 O TRP A 32 -0.108 -3.958 -4.215 1.00 0.00 O ATOM 470 CB TRP A 32 -0.546 -2.239 -2.098 1.00 0.00 C ATOM 471 CG TRP A 32 -0.667 -1.130 -1.092 1.00 0.00 C ATOM 472 CD1 TRP A 32 -1.702 -0.912 -0.225 1.00 0.00 C ATOM 473 CD2 TRP A 32 0.289 -0.095 -0.842 1.00 0.00 C ATOM 474 NE1 TRP A 32 -1.446 0.199 0.545 1.00 0.00 N ATOM 475 CE2 TRP A 32 -0.231 0.720 0.182 1.00 0.00 C ATOM 476 CE3 TRP A 32 1.534 0.221 -1.388 1.00 0.00 C ATOM 477 CZ2 TRP A 32 0.456 1.833 0.670 1.00 0.00 C ATOM 478 CZ3 TRP A 32 2.213 1.325 -0.906 1.00 0.00 C ATOM 479 CH2 TRP A 32 1.672 2.119 0.114 1.00 0.00 C ATOM 0 H TRP A 32 -2.885 -2.840 -3.127 1.00 0.00 H new ATOM 0 HA TRP A 32 -0.773 -0.851 -3.712 1.00 0.00 H new ATOM 0 HB2 TRP A 32 -1.094 -3.107 -1.733 1.00 0.00 H new ATOM 0 HB3 TRP A 32 0.501 -2.532 -2.175 1.00 0.00 H new ATOM 0 HD1 TRP A 32 -2.590 -1.523 -0.155 1.00 0.00 H new ATOM 0 HE1 TRP A 32 -2.060 0.574 1.268 1.00 0.00 H new ATOM 0 HE3 TRP A 32 1.960 -0.386 -2.173 1.00 0.00 H new ATOM 0 HZ2 TRP A 32 0.042 2.445 1.458 1.00 0.00 H new ATOM 0 HZ3 TRP A 32 3.176 1.580 -1.323 1.00 0.00 H new ATOM 0 HH2 TRP A 32 2.227 2.975 0.468 1.00 0.00 H new ATOM 490 N GLU A 33 -0.364 -2.351 -5.768 1.00 0.00 N ATOM 491 CA GLU A 33 0.167 -3.172 -6.849 1.00 0.00 C ATOM 492 C GLU A 33 1.589 -2.778 -7.226 1.00 0.00 C ATOM 493 O GLU A 33 2.017 -1.645 -7.006 1.00 0.00 O ATOM 494 CB GLU A 33 -0.739 -3.072 -8.078 1.00 0.00 C ATOM 495 CG GLU A 33 -2.178 -3.480 -7.808 1.00 0.00 C ATOM 496 CD GLU A 33 -3.180 -2.575 -8.497 1.00 0.00 C ATOM 497 OE1 GLU A 33 -3.257 -1.384 -8.127 1.00 0.00 O ATOM 498 OE2 GLU A 33 -3.887 -3.055 -9.407 1.00 0.00 O ATOM 0 H GLU A 33 -0.648 -1.412 -6.048 1.00 0.00 H new ATOM 0 HA GLU A 33 0.193 -4.201 -6.491 1.00 0.00 H new ATOM 0 HB2 GLU A 33 -0.724 -2.047 -8.448 1.00 0.00 H new ATOM 0 HB3 GLU A 33 -0.334 -3.702 -8.870 1.00 0.00 H new ATOM 0 HG2 GLU A 33 -2.330 -4.506 -8.144 1.00 0.00 H new ATOM 0 HG3 GLU A 33 -2.360 -3.466 -6.733 1.00 0.00 H new ATOM 505 N ARG A 34 2.305 -3.731 -7.809 1.00 0.00 N ATOM 506 CA ARG A 34 3.677 -3.519 -8.246 1.00 0.00 C ATOM 507 C ARG A 34 3.949 -4.337 -9.502 1.00 0.00 C ATOM 508 O ARG A 34 3.860 -5.566 -9.482 1.00 0.00 O ATOM 509 CB ARG A 34 4.659 -3.910 -7.139 1.00 0.00 C ATOM 510 CG ARG A 34 6.110 -3.610 -7.479 1.00 0.00 C ATOM 511 CD ARG A 34 6.859 -4.868 -7.892 1.00 0.00 C ATOM 512 NE ARG A 34 7.022 -4.956 -9.341 1.00 0.00 N ATOM 513 CZ ARG A 34 7.604 -5.981 -9.961 1.00 0.00 C ATOM 514 NH1 ARG A 34 8.077 -7.006 -9.261 1.00 0.00 N ATOM 515 NH2 ARG A 34 7.713 -5.983 -11.282 1.00 0.00 N ATOM 0 H ARG A 34 1.951 -4.670 -7.991 1.00 0.00 H new ATOM 0 HA ARG A 34 3.815 -2.461 -8.470 1.00 0.00 H new ATOM 0 HB2 ARG A 34 4.392 -3.381 -6.224 1.00 0.00 H new ATOM 0 HB3 ARG A 34 4.556 -4.975 -6.933 1.00 0.00 H new ATOM 0 HG2 ARG A 34 6.152 -2.879 -8.287 1.00 0.00 H new ATOM 0 HG3 ARG A 34 6.601 -3.160 -6.616 1.00 0.00 H new ATOM 0 HD2 ARG A 34 7.839 -4.879 -7.415 1.00 0.00 H new ATOM 0 HD3 ARG A 34 6.320 -5.745 -7.534 1.00 0.00 H new ATOM 0 HE ARG A 34 6.669 -4.187 -9.911 1.00 0.00 H new ATOM 0 HH11 ARG A 34 7.995 -7.010 -8.244 1.00 0.00 H new ATOM 0 HH12 ARG A 34 8.522 -7.789 -9.740 1.00 0.00 H new ATOM 0 HH21 ARG A 34 7.351 -5.199 -11.825 1.00 0.00 H new ATOM 0 HH22 ARG A 34 8.159 -6.769 -11.756 1.00 0.00 H new ATOM 529 N GLY A 35 4.259 -3.655 -10.599 1.00 0.00 N ATOM 530 CA GLY A 35 4.515 -4.351 -11.846 1.00 0.00 C ATOM 531 C GLY A 35 3.334 -5.197 -12.271 1.00 0.00 C ATOM 532 O GLY A 35 2.242 -4.681 -12.509 1.00 0.00 O ATOM 0 H GLY A 35 4.337 -2.639 -10.647 1.00 0.00 H new ATOM 0 HA2 GLY A 35 4.742 -3.625 -12.627 1.00 0.00 H new ATOM 0 HA3 GLY A 35 5.395 -4.985 -11.734 1.00 0.00 H new ATOM 536 N SER A 36 3.552 -6.500 -12.356 1.00 0.00 N ATOM 537 CA SER A 36 2.499 -7.430 -12.745 1.00 0.00 C ATOM 538 C SER A 36 2.161 -8.376 -11.594 1.00 0.00 C ATOM 539 O SER A 36 1.987 -9.577 -11.797 1.00 0.00 O ATOM 540 CB SER A 36 2.926 -8.233 -13.975 1.00 0.00 C ATOM 541 OG SER A 36 1.907 -9.131 -14.378 1.00 0.00 O ATOM 0 H SER A 36 4.451 -6.940 -12.160 1.00 0.00 H new ATOM 0 HA SER A 36 1.608 -6.852 -12.992 1.00 0.00 H new ATOM 0 HB2 SER A 36 3.160 -7.553 -14.794 1.00 0.00 H new ATOM 0 HB3 SER A 36 3.837 -8.788 -13.752 1.00 0.00 H new ATOM 0 HG SER A 36 1.715 -9.756 -13.648 1.00 0.00 H new ATOM 547 N THR A 37 2.079 -7.828 -10.383 1.00 0.00 N ATOM 548 CA THR A 37 1.772 -8.630 -9.202 1.00 0.00 C ATOM 549 C THR A 37 1.029 -7.804 -8.153 1.00 0.00 C ATOM 550 O THR A 37 1.092 -6.575 -8.157 1.00 0.00 O ATOM 551 CB THR A 37 3.065 -9.191 -8.606 1.00 0.00 C ATOM 552 OG1 THR A 37 3.712 -10.047 -9.530 1.00 0.00 O ATOM 553 CG2 THR A 37 2.858 -9.973 -7.326 1.00 0.00 C ATOM 0 H THR A 37 2.220 -6.836 -10.195 1.00 0.00 H new ATOM 0 HA THR A 37 1.125 -9.453 -9.506 1.00 0.00 H new ATOM 0 HB THR A 37 3.674 -8.316 -8.378 1.00 0.00 H new ATOM 0 HG1 THR A 37 4.537 -10.394 -9.132 1.00 0.00 H new ATOM 0 HG21 THR A 37 3.819 -10.339 -6.964 1.00 0.00 H new ATOM 0 HG22 THR A 37 2.409 -9.326 -6.573 1.00 0.00 H new ATOM 0 HG23 THR A 37 2.197 -10.818 -7.519 1.00 0.00 H new ATOM 561 N LEU A 38 0.343 -8.492 -7.241 1.00 0.00 N ATOM 562 CA LEU A 38 -0.391 -7.822 -6.170 1.00 0.00 C ATOM 563 C LEU A 38 0.355 -7.980 -4.855 1.00 0.00 C ATOM 564 O LEU A 38 0.979 -9.012 -4.605 1.00 0.00 O ATOM 565 CB LEU A 38 -1.804 -8.397 -6.009 1.00 0.00 C ATOM 566 CG LEU A 38 -2.939 -7.578 -6.634 1.00 0.00 C ATOM 567 CD1 LEU A 38 -4.275 -8.239 -6.336 1.00 0.00 C ATOM 568 CD2 LEU A 38 -2.916 -6.151 -6.109 1.00 0.00 C ATOM 0 H LEU A 38 0.281 -9.510 -7.223 1.00 0.00 H new ATOM 0 HA LEU A 38 -0.472 -6.768 -6.436 1.00 0.00 H new ATOM 0 HB2 LEU A 38 -1.820 -9.395 -6.446 1.00 0.00 H new ATOM 0 HB3 LEU A 38 -2.009 -8.511 -4.945 1.00 0.00 H new ATOM 0 HG LEU A 38 -2.799 -7.543 -7.714 1.00 0.00 H new ATOM 0 HD11 LEU A 38 -5.078 -7.653 -6.782 1.00 0.00 H new ATOM 0 HD12 LEU A 38 -4.284 -9.245 -6.754 1.00 0.00 H new ATOM 0 HD13 LEU A 38 -4.422 -8.293 -5.257 1.00 0.00 H new ATOM 0 HD21 LEU A 38 -3.728 -5.583 -6.563 1.00 0.00 H new ATOM 0 HD22 LEU A 38 -3.040 -6.160 -5.026 1.00 0.00 H new ATOM 0 HD23 LEU A 38 -1.963 -5.686 -6.361 1.00 0.00 H new ATOM 580 N VAL A 39 0.283 -6.963 -4.012 1.00 0.00 N ATOM 581 CA VAL A 39 0.943 -7.005 -2.724 1.00 0.00 C ATOM 582 C VAL A 39 -0.088 -6.929 -1.605 1.00 0.00 C ATOM 583 O VAL A 39 -0.014 -7.666 -0.621 1.00 0.00 O ATOM 584 CB VAL A 39 1.962 -5.857 -2.584 1.00 0.00 C ATOM 585 CG1 VAL A 39 2.470 -5.759 -1.156 1.00 0.00 C ATOM 586 CG2 VAL A 39 3.120 -6.053 -3.557 1.00 0.00 C ATOM 0 H VAL A 39 -0.227 -6.100 -4.199 1.00 0.00 H new ATOM 0 HA VAL A 39 1.483 -7.949 -2.650 1.00 0.00 H new ATOM 0 HB VAL A 39 1.461 -4.920 -2.829 1.00 0.00 H new ATOM 0 HG11 VAL A 39 3.188 -4.942 -1.080 1.00 0.00 H new ATOM 0 HG12 VAL A 39 1.633 -5.570 -0.484 1.00 0.00 H new ATOM 0 HG13 VAL A 39 2.954 -6.695 -0.877 1.00 0.00 H new ATOM 0 HG21 VAL A 39 3.831 -5.234 -3.446 1.00 0.00 H new ATOM 0 HG22 VAL A 39 3.619 -6.998 -3.343 1.00 0.00 H new ATOM 0 HG23 VAL A 39 2.739 -6.067 -4.578 1.00 0.00 H new ATOM 596 N ALA A 40 -1.056 -6.035 -1.771 1.00 0.00 N ATOM 597 CA ALA A 40 -2.113 -5.863 -0.782 1.00 0.00 C ATOM 598 C ALA A 40 -3.277 -5.047 -1.336 1.00 0.00 C ATOM 599 O ALA A 40 -3.143 -3.851 -1.599 1.00 0.00 O ATOM 600 CB ALA A 40 -1.560 -5.210 0.474 1.00 0.00 C ATOM 0 H ALA A 40 -1.131 -5.419 -2.580 1.00 0.00 H new ATOM 0 HA ALA A 40 -2.494 -6.853 -0.530 1.00 0.00 H new ATOM 0 HB1 ALA A 40 -2.361 -5.088 1.203 1.00 0.00 H new ATOM 0 HB2 ALA A 40 -0.777 -5.839 0.897 1.00 0.00 H new ATOM 0 HB3 ALA A 40 -1.145 -4.234 0.224 1.00 0.00 H new ATOM 606 N GLU A 41 -4.421 -5.700 -1.505 1.00 0.00 N ATOM 607 CA GLU A 41 -5.615 -5.039 -2.021 1.00 0.00 C ATOM 608 C GLU A 41 -6.732 -5.036 -0.983 1.00 0.00 C ATOM 609 O GLU A 41 -7.287 -6.081 -0.647 1.00 0.00 O ATOM 610 CB GLU A 41 -6.091 -5.720 -3.305 1.00 0.00 C ATOM 611 CG GLU A 41 -6.136 -4.782 -4.498 1.00 0.00 C ATOM 612 CD GLU A 41 -6.409 -5.504 -5.801 1.00 0.00 C ATOM 613 OE1 GLU A 41 -7.052 -6.575 -5.764 1.00 0.00 O ATOM 614 OE2 GLU A 41 -5.982 -4.999 -6.861 1.00 0.00 O ATOM 0 H GLU A 41 -4.547 -6.689 -1.292 1.00 0.00 H new ATOM 0 HA GLU A 41 -5.355 -4.005 -2.246 1.00 0.00 H new ATOM 0 HB2 GLU A 41 -5.429 -6.555 -3.533 1.00 0.00 H new ATOM 0 HB3 GLU A 41 -7.085 -6.137 -3.141 1.00 0.00 H new ATOM 0 HG2 GLU A 41 -6.909 -4.031 -4.335 1.00 0.00 H new ATOM 0 HG3 GLU A 41 -5.187 -4.252 -4.574 1.00 0.00 H new ATOM 621 N PHE A 42 -7.053 -3.849 -0.480 1.00 0.00 N ATOM 622 CA PHE A 42 -8.100 -3.698 0.519 1.00 0.00 C ATOM 623 C PHE A 42 -9.317 -2.988 -0.069 1.00 0.00 C ATOM 624 O PHE A 42 -9.245 -1.820 -0.449 1.00 0.00 O ATOM 625 CB PHE A 42 -7.566 -2.913 1.719 1.00 0.00 C ATOM 626 CG PHE A 42 -8.612 -2.607 2.754 1.00 0.00 C ATOM 627 CD1 PHE A 42 -9.466 -1.529 2.592 1.00 0.00 C ATOM 628 CD2 PHE A 42 -8.739 -3.396 3.886 1.00 0.00 C ATOM 629 CE1 PHE A 42 -10.431 -1.242 3.540 1.00 0.00 C ATOM 630 CE2 PHE A 42 -9.701 -3.115 4.839 1.00 0.00 C ATOM 631 CZ PHE A 42 -10.547 -2.036 4.665 1.00 0.00 C ATOM 0 H PHE A 42 -6.600 -2.976 -0.750 1.00 0.00 H new ATOM 0 HA PHE A 42 -8.408 -4.691 0.846 1.00 0.00 H new ATOM 0 HB2 PHE A 42 -6.762 -3.482 2.185 1.00 0.00 H new ATOM 0 HB3 PHE A 42 -7.132 -1.978 1.366 1.00 0.00 H new ATOM 0 HD1 PHE A 42 -9.377 -0.905 1.715 1.00 0.00 H new ATOM 0 HD2 PHE A 42 -8.079 -4.240 4.026 1.00 0.00 H new ATOM 0 HE1 PHE A 42 -11.092 -0.399 3.401 1.00 0.00 H new ATOM 0 HE2 PHE A 42 -9.791 -3.737 5.717 1.00 0.00 H new ATOM 0 HZ PHE A 42 -11.299 -1.813 5.408 1.00 0.00 H new ATOM 748 N PRO A 48 -9.956 -9.123 1.392 1.00 0.00 N ATOM 749 CA PRO A 48 -8.770 -8.495 0.806 1.00 0.00 C ATOM 750 C PRO A 48 -7.784 -9.526 0.265 1.00 0.00 C ATOM 751 O PRO A 48 -8.024 -10.731 0.352 1.00 0.00 O ATOM 752 CB PRO A 48 -8.164 -7.740 1.986 1.00 0.00 C ATOM 753 CG PRO A 48 -8.550 -8.541 3.183 1.00 0.00 C ATOM 754 CD PRO A 48 -9.887 -9.163 2.867 1.00 0.00 C ATOM 0 HA PRO A 48 -9.013 -7.860 -0.046 1.00 0.00 H new ATOM 0 HB2 PRO A 48 -7.081 -7.663 1.893 1.00 0.00 H new ATOM 0 HB3 PRO A 48 -8.552 -6.723 2.047 1.00 0.00 H new ATOM 0 HG2 PRO A 48 -7.805 -9.308 3.393 1.00 0.00 H new ATOM 0 HG3 PRO A 48 -8.615 -7.909 4.069 1.00 0.00 H new ATOM 0 HD2 PRO A 48 -9.952 -10.184 3.243 1.00 0.00 H new ATOM 0 HD3 PRO A 48 -10.705 -8.604 3.321 1.00 0.00 H new ATOM 762 N PHE A 49 -6.674 -9.051 -0.293 1.00 0.00 N ATOM 763 CA PHE A 49 -5.658 -9.942 -0.845 1.00 0.00 C ATOM 764 C PHE A 49 -4.268 -9.592 -0.325 1.00 0.00 C ATOM 765 O PHE A 49 -3.612 -8.688 -0.843 1.00 0.00 O ATOM 766 CB PHE A 49 -5.657 -9.888 -2.377 1.00 0.00 C ATOM 767 CG PHE A 49 -4.495 -10.624 -2.994 1.00 0.00 C ATOM 768 CD1 PHE A 49 -4.568 -11.987 -3.228 1.00 0.00 C ATOM 769 CD2 PHE A 49 -3.326 -9.953 -3.328 1.00 0.00 C ATOM 770 CE1 PHE A 49 -3.500 -12.669 -3.779 1.00 0.00 C ATOM 771 CE2 PHE A 49 -2.258 -10.629 -3.881 1.00 0.00 C ATOM 772 CZ PHE A 49 -2.343 -11.988 -4.107 1.00 0.00 C ATOM 0 H PHE A 49 -6.456 -8.058 -0.375 1.00 0.00 H new ATOM 0 HA PHE A 49 -5.908 -10.952 -0.521 1.00 0.00 H new ATOM 0 HB2 PHE A 49 -6.588 -10.314 -2.750 1.00 0.00 H new ATOM 0 HB3 PHE A 49 -5.631 -8.847 -2.698 1.00 0.00 H new ATOM 0 HD1 PHE A 49 -5.471 -12.524 -2.977 1.00 0.00 H new ATOM 0 HD2 PHE A 49 -3.252 -8.890 -3.153 1.00 0.00 H new ATOM 0 HE1 PHE A 49 -3.569 -13.733 -3.953 1.00 0.00 H new ATOM 0 HE2 PHE A 49 -1.355 -10.095 -4.137 1.00 0.00 H new ATOM 0 HZ PHE A 49 -1.507 -12.518 -4.539 1.00 0.00 H new ATOM 782 N LEU A 50 -3.814 -10.325 0.682 1.00 0.00 N ATOM 783 CA LEU A 50 -2.496 -10.107 1.250 1.00 0.00 C ATOM 784 C LEU A 50 -1.493 -11.071 0.618 1.00 0.00 C ATOM 785 O LEU A 50 -1.538 -12.275 0.873 1.00 0.00 O ATOM 786 CB LEU A 50 -2.539 -10.309 2.766 1.00 0.00 C ATOM 787 CG LEU A 50 -2.775 -9.039 3.587 1.00 0.00 C ATOM 788 CD1 LEU A 50 -2.753 -9.353 5.075 1.00 0.00 C ATOM 789 CD2 LEU A 50 -1.734 -7.984 3.247 1.00 0.00 C ATOM 0 H LEU A 50 -4.343 -11.078 1.122 1.00 0.00 H new ATOM 0 HA LEU A 50 -2.183 -9.084 1.042 1.00 0.00 H new ATOM 0 HB2 LEU A 50 -3.328 -11.024 2.999 1.00 0.00 H new ATOM 0 HB3 LEU A 50 -1.598 -10.758 3.083 1.00 0.00 H new ATOM 0 HG LEU A 50 -3.759 -8.644 3.335 1.00 0.00 H new ATOM 0 HD11 LEU A 50 -2.922 -8.438 5.642 1.00 0.00 H new ATOM 0 HD12 LEU A 50 -3.537 -10.074 5.306 1.00 0.00 H new ATOM 0 HD13 LEU A 50 -1.784 -9.772 5.344 1.00 0.00 H new ATOM 0 HD21 LEU A 50 -1.917 -7.088 3.840 1.00 0.00 H new ATOM 0 HD22 LEU A 50 -0.739 -8.370 3.470 1.00 0.00 H new ATOM 0 HD23 LEU A 50 -1.799 -7.737 2.187 1.00 0.00 H new ATOM 801 N LYS A 51 -0.601 -10.542 -0.219 1.00 0.00 N ATOM 802 CA LYS A 51 0.402 -11.363 -0.900 1.00 0.00 C ATOM 803 C LYS A 51 1.011 -12.405 0.038 1.00 0.00 C ATOM 804 O LYS A 51 1.280 -13.535 -0.368 1.00 0.00 O ATOM 805 CB LYS A 51 1.504 -10.477 -1.485 1.00 0.00 C ATOM 806 CG LYS A 51 2.597 -11.254 -2.201 1.00 0.00 C ATOM 807 CD LYS A 51 3.640 -10.325 -2.801 1.00 0.00 C ATOM 808 CE LYS A 51 4.930 -11.064 -3.114 1.00 0.00 C ATOM 809 NZ LYS A 51 6.122 -10.180 -2.987 1.00 0.00 N ATOM 0 H LYS A 51 -0.552 -9.548 -0.442 1.00 0.00 H new ATOM 0 HA LYS A 51 -0.101 -11.894 -1.708 1.00 0.00 H new ATOM 0 HB2 LYS A 51 1.057 -9.769 -2.183 1.00 0.00 H new ATOM 0 HB3 LYS A 51 1.953 -9.892 -0.682 1.00 0.00 H new ATOM 0 HG2 LYS A 51 3.077 -11.938 -1.501 1.00 0.00 H new ATOM 0 HG3 LYS A 51 2.155 -11.863 -2.989 1.00 0.00 H new ATOM 0 HD2 LYS A 51 3.247 -9.875 -3.713 1.00 0.00 H new ATOM 0 HD3 LYS A 51 3.845 -9.510 -2.107 1.00 0.00 H new ATOM 0 HE2 LYS A 51 5.035 -11.913 -2.439 1.00 0.00 H new ATOM 0 HE3 LYS A 51 4.882 -11.465 -4.126 1.00 0.00 H new ATOM 0 HZ1 LYS A 51 6.981 -10.722 -3.209 1.00 0.00 H new ATOM 0 HZ2 LYS A 51 6.035 -9.383 -3.649 1.00 0.00 H new ATOM 0 HZ3 LYS A 51 6.183 -9.817 -2.014 1.00 0.00 H new ATOM 823 N SER A 52 1.222 -12.019 1.294 1.00 0.00 N ATOM 824 CA SER A 52 1.793 -12.929 2.282 1.00 0.00 C ATOM 825 C SER A 52 1.922 -12.250 3.644 1.00 0.00 C ATOM 826 O SER A 52 1.816 -11.029 3.754 1.00 0.00 O ATOM 827 CB SER A 52 3.162 -13.433 1.818 1.00 0.00 C ATOM 828 OG SER A 52 3.295 -14.826 2.043 1.00 0.00 O ATOM 0 H SER A 52 1.007 -11.087 1.650 1.00 0.00 H new ATOM 0 HA SER A 52 1.118 -13.778 2.383 1.00 0.00 H new ATOM 0 HB2 SER A 52 3.292 -13.219 0.757 1.00 0.00 H new ATOM 0 HB3 SER A 52 3.949 -12.899 2.350 1.00 0.00 H new ATOM 0 HG SER A 52 4.177 -15.124 1.737 1.00 0.00 H new ATOM 834 N GLY A 53 2.142 -13.058 4.678 1.00 0.00 N ATOM 835 CA GLY A 53 2.273 -12.521 6.030 1.00 0.00 C ATOM 836 C GLY A 53 3.374 -11.473 6.160 1.00 0.00 C ATOM 837 O GLY A 53 3.470 -10.808 7.192 1.00 0.00 O ATOM 0 H GLY A 53 2.232 -14.072 4.609 1.00 0.00 H new ATOM 0 HA2 GLY A 53 1.323 -12.079 6.331 1.00 0.00 H new ATOM 0 HA3 GLY A 53 2.477 -13.340 6.720 1.00 0.00 H new ATOM 841 N ALA A 54 4.216 -11.321 5.128 1.00 0.00 N ATOM 842 CA ALA A 54 5.302 -10.346 5.176 1.00 0.00 C ATOM 843 C ALA A 54 4.799 -8.913 5.005 1.00 0.00 C ATOM 844 O ALA A 54 5.591 -7.971 4.985 1.00 0.00 O ATOM 845 CB ALA A 54 6.343 -10.669 4.115 1.00 0.00 C ATOM 0 H ALA A 54 4.163 -11.856 4.261 1.00 0.00 H new ATOM 0 HA ALA A 54 5.758 -10.414 6.164 1.00 0.00 H new ATOM 0 HB1 ALA A 54 7.148 -9.936 4.160 1.00 0.00 H new ATOM 0 HB2 ALA A 54 6.749 -11.665 4.295 1.00 0.00 H new ATOM 0 HB3 ALA A 54 5.879 -10.639 3.129 1.00 0.00 H new ATOM 851 N PHE A 55 3.486 -8.749 4.883 1.00 0.00 N ATOM 852 CA PHE A 55 2.898 -7.424 4.717 1.00 0.00 C ATOM 853 C PHE A 55 1.723 -7.219 5.663 1.00 0.00 C ATOM 854 O PHE A 55 1.103 -8.177 6.123 1.00 0.00 O ATOM 855 CB PHE A 55 2.428 -7.220 3.278 1.00 0.00 C ATOM 856 CG PHE A 55 3.506 -7.420 2.256 1.00 0.00 C ATOM 857 CD1 PHE A 55 4.530 -6.501 2.133 1.00 0.00 C ATOM 858 CD2 PHE A 55 3.490 -8.520 1.417 1.00 0.00 C ATOM 859 CE1 PHE A 55 5.524 -6.672 1.191 1.00 0.00 C ATOM 860 CE2 PHE A 55 4.482 -8.700 0.471 1.00 0.00 C ATOM 861 CZ PHE A 55 5.501 -7.774 0.358 1.00 0.00 C ATOM 0 H PHE A 55 2.811 -9.513 4.896 1.00 0.00 H new ATOM 0 HA PHE A 55 3.671 -6.693 4.953 1.00 0.00 H new ATOM 0 HB2 PHE A 55 1.611 -7.911 3.071 1.00 0.00 H new ATOM 0 HB3 PHE A 55 2.026 -6.212 3.176 1.00 0.00 H new ATOM 0 HD1 PHE A 55 4.553 -5.638 2.782 1.00 0.00 H new ATOM 0 HD2 PHE A 55 2.694 -9.245 1.502 1.00 0.00 H new ATOM 0 HE1 PHE A 55 6.319 -5.946 1.105 1.00 0.00 H new ATOM 0 HE2 PHE A 55 4.460 -9.563 -0.178 1.00 0.00 H new ATOM 0 HZ PHE A 55 6.278 -7.911 -0.380 1.00 0.00 H new ATOM 871 N GLU A 56 1.417 -5.957 5.934 1.00 0.00 N ATOM 872 CA GLU A 56 0.310 -5.607 6.811 1.00 0.00 C ATOM 873 C GLU A 56 -0.192 -4.202 6.499 1.00 0.00 C ATOM 874 O GLU A 56 0.576 -3.238 6.521 1.00 0.00 O ATOM 875 CB GLU A 56 0.739 -5.699 8.276 1.00 0.00 C ATOM 876 CG GLU A 56 0.721 -7.115 8.827 1.00 0.00 C ATOM 877 CD GLU A 56 -0.632 -7.782 8.676 1.00 0.00 C ATOM 878 OE1 GLU A 56 -0.918 -8.303 7.578 1.00 0.00 O ATOM 879 OE2 GLU A 56 -1.406 -7.784 9.657 1.00 0.00 O ATOM 0 H GLU A 56 1.923 -5.156 5.556 1.00 0.00 H new ATOM 0 HA GLU A 56 -0.501 -6.315 6.639 1.00 0.00 H new ATOM 0 HB2 GLU A 56 1.745 -5.291 8.378 1.00 0.00 H new ATOM 0 HB3 GLU A 56 0.079 -5.075 8.879 1.00 0.00 H new ATOM 0 HG2 GLU A 56 1.475 -7.711 8.313 1.00 0.00 H new ATOM 0 HG3 GLU A 56 0.996 -7.094 9.882 1.00 0.00 H new ATOM 886 N ILE A 57 -1.482 -4.094 6.200 1.00 0.00 N ATOM 887 CA ILE A 57 -2.084 -2.806 5.877 1.00 0.00 C ATOM 888 C ILE A 57 -2.419 -2.019 7.143 1.00 0.00 C ATOM 889 O ILE A 57 -3.417 -2.286 7.812 1.00 0.00 O ATOM 890 CB ILE A 57 -3.357 -2.970 5.016 1.00 0.00 C ATOM 891 CG1 ILE A 57 -3.857 -1.602 4.545 1.00 0.00 C ATOM 892 CG2 ILE A 57 -4.450 -3.706 5.784 1.00 0.00 C ATOM 893 CD1 ILE A 57 -4.567 -1.646 3.210 1.00 0.00 C ATOM 0 H ILE A 57 -2.130 -4.881 6.175 1.00 0.00 H new ATOM 0 HA ILE A 57 -1.346 -2.250 5.299 1.00 0.00 H new ATOM 0 HB ILE A 57 -3.102 -3.570 4.142 1.00 0.00 H new ATOM 0 HG12 ILE A 57 -4.535 -1.194 5.295 1.00 0.00 H new ATOM 0 HG13 ILE A 57 -3.010 -0.919 4.475 1.00 0.00 H new ATOM 0 HG21 ILE A 57 -5.333 -3.807 5.153 1.00 0.00 H new ATOM 0 HG22 ILE A 57 -4.092 -4.696 6.068 1.00 0.00 H new ATOM 0 HG23 ILE A 57 -4.707 -3.142 6.681 1.00 0.00 H new ATOM 0 HD11 ILE A 57 -4.894 -0.642 2.939 1.00 0.00 H new ATOM 0 HD12 ILE A 57 -3.886 -2.024 2.448 1.00 0.00 H new ATOM 0 HD13 ILE A 57 -5.434 -2.303 3.280 1.00 0.00 H new ATOM 905 N LEU A 58 -1.573 -1.047 7.467 1.00 0.00 N ATOM 906 CA LEU A 58 -1.774 -0.221 8.652 1.00 0.00 C ATOM 907 C LEU A 58 -3.116 0.502 8.593 1.00 0.00 C ATOM 908 O LEU A 58 -3.818 0.449 7.584 1.00 0.00 O ATOM 909 CB LEU A 58 -0.633 0.793 8.788 1.00 0.00 C ATOM 910 CG LEU A 58 0.306 0.562 9.976 1.00 0.00 C ATOM 911 CD1 LEU A 58 0.732 -0.897 10.051 1.00 0.00 C ATOM 912 CD2 LEU A 58 1.523 1.468 9.870 1.00 0.00 C ATOM 0 H LEU A 58 -0.741 -0.812 6.925 1.00 0.00 H new ATOM 0 HA LEU A 58 -1.777 -0.873 9.525 1.00 0.00 H new ATOM 0 HB2 LEU A 58 -0.044 0.778 7.871 1.00 0.00 H new ATOM 0 HB3 LEU A 58 -1.063 1.791 8.874 1.00 0.00 H new ATOM 0 HG LEU A 58 -0.232 0.806 10.892 1.00 0.00 H new ATOM 0 HD11 LEU A 58 1.398 -1.038 10.902 1.00 0.00 H new ATOM 0 HD12 LEU A 58 -0.149 -1.528 10.171 1.00 0.00 H new ATOM 0 HD13 LEU A 58 1.252 -1.172 9.133 1.00 0.00 H new ATOM 0 HD21 LEU A 58 2.182 1.293 10.721 1.00 0.00 H new ATOM 0 HD22 LEU A 58 2.059 1.251 8.946 1.00 0.00 H new ATOM 0 HD23 LEU A 58 1.202 2.510 9.868 1.00 0.00 H new ATOM 924 N ALA A 59 -3.467 1.177 9.684 1.00 0.00 N ATOM 925 CA ALA A 59 -4.725 1.911 9.758 1.00 0.00 C ATOM 926 C ALA A 59 -4.694 3.149 8.869 1.00 0.00 C ATOM 927 O ALA A 59 -5.645 3.424 8.139 1.00 0.00 O ATOM 928 CB ALA A 59 -5.023 2.300 11.198 1.00 0.00 C ATOM 0 H ALA A 59 -2.898 1.230 10.529 1.00 0.00 H new ATOM 0 HA ALA A 59 -5.519 1.258 9.396 1.00 0.00 H new ATOM 0 HB1 ALA A 59 -5.965 2.847 11.240 1.00 0.00 H new ATOM 0 HB2 ALA A 59 -5.099 1.401 11.810 1.00 0.00 H new ATOM 0 HB3 ALA A 59 -4.220 2.931 11.578 1.00 0.00 H new ATOM 934 N ASN A 60 -3.593 3.893 8.936 1.00 0.00 N ATOM 935 CA ASN A 60 -3.441 5.103 8.137 1.00 0.00 C ATOM 936 C ASN A 60 -3.571 4.798 6.646 1.00 0.00 C ATOM 937 O ASN A 60 -3.876 5.685 5.848 1.00 0.00 O ATOM 938 CB ASN A 60 -2.089 5.765 8.420 1.00 0.00 C ATOM 939 CG ASN A 60 -0.926 4.802 8.277 1.00 0.00 C ATOM 940 OD1 ASN A 60 -0.331 4.686 7.205 1.00 0.00 O ATOM 941 ND2 ASN A 60 -0.592 4.110 9.360 1.00 0.00 N ATOM 0 H ASN A 60 -2.795 3.679 9.534 1.00 0.00 H new ATOM 0 HA ASN A 60 -4.239 5.791 8.417 1.00 0.00 H new ATOM 0 HB2 ASN A 60 -1.949 6.602 7.736 1.00 0.00 H new ATOM 0 HB3 ASN A 60 -2.094 6.175 9.430 1.00 0.00 H new ATOM 0 HD21 ASN A 60 0.185 3.451 9.324 1.00 0.00 H new ATOM 0 HD22 ASN A 60 -1.113 4.238 10.228 1.00 0.00 H new ATOM 948 N GLY A 61 -3.344 3.541 6.276 1.00 0.00 N ATOM 949 CA GLY A 61 -3.445 3.149 4.882 1.00 0.00 C ATOM 950 C GLY A 61 -2.091 3.018 4.214 1.00 0.00 C ATOM 951 O GLY A 61 -1.943 3.329 3.032 1.00 0.00 O ATOM 0 H GLY A 61 -3.092 2.788 6.916 1.00 0.00 H new ATOM 0 HA2 GLY A 61 -3.974 2.198 4.813 1.00 0.00 H new ATOM 0 HA3 GLY A 61 -4.042 3.885 4.344 1.00 0.00 H new ATOM 955 N ASP A 62 -1.100 2.559 4.970 1.00 0.00 N ATOM 956 CA ASP A 62 0.249 2.391 4.442 1.00 0.00 C ATOM 957 C ASP A 62 0.662 0.921 4.451 1.00 0.00 C ATOM 958 O ASP A 62 0.149 0.126 5.239 1.00 0.00 O ATOM 959 CB ASP A 62 1.242 3.223 5.257 1.00 0.00 C ATOM 960 CG ASP A 62 1.248 4.680 4.837 1.00 0.00 C ATOM 961 OD1 ASP A 62 1.046 4.952 3.635 1.00 0.00 O ATOM 962 OD2 ASP A 62 1.455 5.550 5.709 1.00 0.00 O ATOM 0 H ASP A 62 -1.205 2.297 5.950 1.00 0.00 H new ATOM 0 HA ASP A 62 0.256 2.740 3.409 1.00 0.00 H new ATOM 0 HB2 ASP A 62 0.990 3.153 6.315 1.00 0.00 H new ATOM 0 HB3 ASP A 62 2.243 2.809 5.140 1.00 0.00 H new ATOM 967 N LEU A 63 1.594 0.569 3.570 1.00 0.00 N ATOM 968 CA LEU A 63 2.082 -0.813 3.476 1.00 0.00 C ATOM 969 C LEU A 63 3.141 -1.084 4.541 1.00 0.00 C ATOM 970 O LEU A 63 4.162 -0.398 4.599 1.00 0.00 O ATOM 971 CB LEU A 63 2.677 -1.058 2.089 1.00 0.00 C ATOM 972 CG LEU A 63 2.948 -2.522 1.741 1.00 0.00 C ATOM 973 CD1 LEU A 63 1.666 -3.212 1.301 1.00 0.00 C ATOM 974 CD2 LEU A 63 4.003 -2.613 0.651 1.00 0.00 C ATOM 0 H LEU A 63 2.028 1.215 2.911 1.00 0.00 H new ATOM 0 HA LEU A 63 1.242 -1.488 3.639 1.00 0.00 H new ATOM 0 HB2 LEU A 63 1.998 -0.644 1.343 1.00 0.00 H new ATOM 0 HB3 LEU A 63 3.613 -0.504 2.011 1.00 0.00 H new ATOM 0 HG LEU A 63 3.320 -3.029 2.631 1.00 0.00 H new ATOM 0 HD11 LEU A 63 1.878 -4.253 1.057 1.00 0.00 H new ATOM 0 HD12 LEU A 63 0.935 -3.170 2.108 1.00 0.00 H new ATOM 0 HD13 LEU A 63 1.265 -2.708 0.422 1.00 0.00 H new ATOM 0 HD21 LEU A 63 4.189 -3.660 0.411 1.00 0.00 H new ATOM 0 HD22 LEU A 63 3.651 -2.093 -0.240 1.00 0.00 H new ATOM 0 HD23 LEU A 63 4.927 -2.152 0.999 1.00 0.00 H new ATOM 986 N LYS A 64 2.899 -2.086 5.384 1.00 0.00 N ATOM 987 CA LYS A 64 3.842 -2.434 6.440 1.00 0.00 C ATOM 988 C LYS A 64 4.611 -3.705 6.093 1.00 0.00 C ATOM 989 O LYS A 64 4.047 -4.800 6.085 1.00 0.00 O ATOM 990 CB LYS A 64 3.105 -2.617 7.768 1.00 0.00 C ATOM 991 CG LYS A 64 3.878 -2.093 8.968 1.00 0.00 C ATOM 992 CD LYS A 64 3.625 -2.939 10.205 1.00 0.00 C ATOM 993 CE LYS A 64 4.211 -2.294 11.451 1.00 0.00 C ATOM 994 NZ LYS A 64 5.612 -1.839 11.235 1.00 0.00 N ATOM 0 H LYS A 64 2.062 -2.668 5.355 1.00 0.00 H new ATOM 0 HA LYS A 64 4.557 -1.617 6.536 1.00 0.00 H new ATOM 0 HB2 LYS A 64 2.143 -2.106 7.714 1.00 0.00 H new ATOM 0 HB3 LYS A 64 2.896 -3.677 7.915 1.00 0.00 H new ATOM 0 HG2 LYS A 64 4.944 -2.087 8.741 1.00 0.00 H new ATOM 0 HG3 LYS A 64 3.589 -1.061 9.166 1.00 0.00 H new ATOM 0 HD2 LYS A 64 2.552 -3.080 10.337 1.00 0.00 H new ATOM 0 HD3 LYS A 64 4.062 -3.928 10.066 1.00 0.00 H new ATOM 0 HE2 LYS A 64 3.595 -1.444 11.744 1.00 0.00 H new ATOM 0 HE3 LYS A 64 4.184 -3.007 12.275 1.00 0.00 H new ATOM 0 HZ1 LYS A 64 6.048 -1.610 12.151 1.00 0.00 H new ATOM 0 HZ2 LYS A 64 6.155 -2.596 10.772 1.00 0.00 H new ATOM 0 HZ3 LYS A 64 5.613 -0.993 10.630 1.00 0.00 H new ATOM 1008 N ILE A 65 5.904 -3.552 5.814 1.00 0.00 N ATOM 1009 CA ILE A 65 6.754 -4.689 5.475 1.00 0.00 C ATOM 1010 C ILE A 65 7.410 -5.256 6.734 1.00 0.00 C ATOM 1011 O ILE A 65 7.913 -4.505 7.570 1.00 0.00 O ATOM 1012 CB ILE A 65 7.850 -4.298 4.461 1.00 0.00 C ATOM 1013 CG1 ILE A 65 7.295 -3.304 3.428 1.00 0.00 C ATOM 1014 CG2 ILE A 65 8.406 -5.543 3.780 1.00 0.00 C ATOM 1015 CD1 ILE A 65 8.236 -3.025 2.273 1.00 0.00 C ATOM 0 H ILE A 65 6.385 -2.652 5.816 1.00 0.00 H new ATOM 0 HA ILE A 65 6.117 -5.446 5.018 1.00 0.00 H new ATOM 0 HB ILE A 65 8.665 -3.809 4.994 1.00 0.00 H new ATOM 0 HG12 ILE A 65 6.357 -3.693 3.033 1.00 0.00 H new ATOM 0 HG13 ILE A 65 7.064 -2.365 3.930 1.00 0.00 H new ATOM 0 HG21 ILE A 65 9.178 -5.254 3.067 1.00 0.00 H new ATOM 0 HG22 ILE A 65 8.835 -6.207 4.530 1.00 0.00 H new ATOM 0 HG23 ILE A 65 7.603 -6.060 3.255 1.00 0.00 H new ATOM 0 HD11 ILE A 65 7.772 -2.315 1.589 1.00 0.00 H new ATOM 0 HD12 ILE A 65 9.167 -2.605 2.655 1.00 0.00 H new ATOM 0 HD13 ILE A 65 8.448 -3.954 1.743 1.00 0.00 H new ATOM 1027 N LYS A 66 7.390 -6.580 6.873 1.00 0.00 N ATOM 1028 CA LYS A 66 7.971 -7.232 8.047 1.00 0.00 C ATOM 1029 C LYS A 66 9.478 -7.411 7.904 1.00 0.00 C ATOM 1030 O LYS A 66 10.241 -7.126 8.827 1.00 0.00 O ATOM 1031 CB LYS A 66 7.306 -8.590 8.283 1.00 0.00 C ATOM 1032 CG LYS A 66 7.834 -9.324 9.505 1.00 0.00 C ATOM 1033 CD LYS A 66 7.901 -10.825 9.269 1.00 0.00 C ATOM 1034 CE LYS A 66 9.128 -11.438 9.922 1.00 0.00 C ATOM 1035 NZ LYS A 66 8.931 -12.882 10.231 1.00 0.00 N ATOM 0 H LYS A 66 6.981 -7.220 6.192 1.00 0.00 H new ATOM 0 HA LYS A 66 7.789 -6.585 8.905 1.00 0.00 H new ATOM 0 HB2 LYS A 66 6.231 -8.444 8.394 1.00 0.00 H new ATOM 0 HB3 LYS A 66 7.454 -9.215 7.402 1.00 0.00 H new ATOM 0 HG2 LYS A 66 8.827 -8.949 9.755 1.00 0.00 H new ATOM 0 HG3 LYS A 66 7.191 -9.118 10.361 1.00 0.00 H new ATOM 0 HD2 LYS A 66 7.002 -11.297 9.666 1.00 0.00 H new ATOM 0 HD3 LYS A 66 7.920 -11.025 8.198 1.00 0.00 H new ATOM 0 HE2 LYS A 66 9.987 -11.322 9.261 1.00 0.00 H new ATOM 0 HE3 LYS A 66 9.358 -10.898 10.841 1.00 0.00 H new ATOM 0 HZ1 LYS A 66 9.791 -13.262 10.675 1.00 0.00 H new ATOM 0 HZ2 LYS A 66 8.127 -12.991 10.882 1.00 0.00 H new ATOM 0 HZ3 LYS A 66 8.737 -13.402 9.351 1.00 0.00 H new ATOM 1049 N ASN A 67 9.893 -7.884 6.744 1.00 0.00 N ATOM 1050 CA ASN A 67 11.303 -8.110 6.462 1.00 0.00 C ATOM 1051 C ASN A 67 11.594 -7.851 4.991 1.00 0.00 C ATOM 1052 O ASN A 67 11.127 -8.582 4.116 1.00 0.00 O ATOM 1053 CB ASN A 67 11.698 -9.542 6.834 1.00 0.00 C ATOM 1054 CG ASN A 67 12.687 -9.589 7.984 1.00 0.00 C ATOM 1055 OD1 ASN A 67 13.651 -10.353 7.957 1.00 0.00 O ATOM 1056 ND2 ASN A 67 12.449 -8.769 9.001 1.00 0.00 N ATOM 0 H ASN A 67 9.269 -8.122 5.973 1.00 0.00 H new ATOM 0 HA ASN A 67 11.893 -7.418 7.063 1.00 0.00 H new ATOM 0 HB2 ASN A 67 10.804 -10.104 7.104 1.00 0.00 H new ATOM 0 HB3 ASN A 67 12.133 -10.034 5.964 1.00 0.00 H new ATOM 0 HD21 ASN A 67 13.079 -8.756 9.803 1.00 0.00 H new ATOM 0 HD22 ASN A 67 11.637 -8.153 8.980 1.00 0.00 H new ATOM 1063 N LEU A 68 12.356 -6.798 4.723 1.00 0.00 N ATOM 1064 CA LEU A 68 12.699 -6.430 3.361 1.00 0.00 C ATOM 1065 C LEU A 68 13.266 -7.606 2.579 1.00 0.00 C ATOM 1066 O LEU A 68 13.947 -8.470 3.132 1.00 0.00 O ATOM 1067 CB LEU A 68 13.694 -5.278 3.379 1.00 0.00 C ATOM 1068 CG LEU A 68 13.062 -3.913 3.628 1.00 0.00 C ATOM 1069 CD1 LEU A 68 13.988 -3.035 4.450 1.00 0.00 C ATOM 1070 CD2 LEU A 68 12.705 -3.246 2.311 1.00 0.00 C ATOM 0 H LEU A 68 12.748 -6.183 5.436 1.00 0.00 H new ATOM 0 HA LEU A 68 11.785 -6.118 2.856 1.00 0.00 H new ATOM 0 HB2 LEU A 68 14.439 -5.468 4.152 1.00 0.00 H new ATOM 0 HB3 LEU A 68 14.222 -5.253 2.426 1.00 0.00 H new ATOM 0 HG LEU A 68 12.143 -4.055 4.197 1.00 0.00 H new ATOM 0 HD11 LEU A 68 13.518 -2.066 4.616 1.00 0.00 H new ATOM 0 HD12 LEU A 68 14.185 -3.512 5.410 1.00 0.00 H new ATOM 0 HD13 LEU A 68 14.927 -2.896 3.915 1.00 0.00 H new ATOM 0 HD21 LEU A 68 12.255 -2.273 2.506 1.00 0.00 H new ATOM 0 HD22 LEU A 68 13.607 -3.115 1.713 1.00 0.00 H new ATOM 0 HD23 LEU A 68 11.997 -3.871 1.767 1.00 0.00 H new ATOM 1082 N THR A 69 12.973 -7.625 1.285 1.00 0.00 N ATOM 1083 CA THR A 69 13.440 -8.688 0.402 1.00 0.00 C ATOM 1084 C THR A 69 13.777 -8.136 -0.981 1.00 0.00 C ATOM 1085 O THR A 69 13.255 -7.099 -1.391 1.00 0.00 O ATOM 1086 CB THR A 69 12.382 -9.786 0.288 1.00 0.00 C ATOM 1087 OG1 THR A 69 11.082 -9.226 0.227 1.00 0.00 O ATOM 1088 CG2 THR A 69 12.408 -10.761 1.443 1.00 0.00 C ATOM 0 H THR A 69 12.411 -6.912 0.821 1.00 0.00 H new ATOM 0 HA THR A 69 14.347 -9.114 0.832 1.00 0.00 H new ATOM 0 HB THR A 69 12.622 -10.325 -0.628 1.00 0.00 H new ATOM 0 HG1 THR A 69 10.420 -9.944 0.153 1.00 0.00 H new ATOM 0 HG21 THR A 69 11.633 -11.514 1.301 1.00 0.00 H new ATOM 0 HG22 THR A 69 13.383 -11.247 1.487 1.00 0.00 H new ATOM 0 HG23 THR A 69 12.227 -10.226 2.375 1.00 0.00 H new ATOM 1096 N ARG A 70 14.657 -8.834 -1.693 1.00 0.00 N ATOM 1097 CA ARG A 70 15.075 -8.409 -3.033 1.00 0.00 C ATOM 1098 C ARG A 70 13.872 -8.102 -3.919 1.00 0.00 C ATOM 1099 O ARG A 70 13.750 -6.999 -4.454 1.00 0.00 O ATOM 1100 CB ARG A 70 15.949 -9.482 -3.695 1.00 0.00 C ATOM 1101 CG ARG A 70 15.614 -10.905 -3.271 1.00 0.00 C ATOM 1102 CD ARG A 70 15.602 -11.855 -4.458 1.00 0.00 C ATOM 1103 NE ARG A 70 16.775 -11.678 -5.312 1.00 0.00 N ATOM 1104 CZ ARG A 70 18.002 -12.071 -4.977 1.00 0.00 C ATOM 1105 NH1 ARG A 70 18.222 -12.663 -3.809 1.00 0.00 N ATOM 1106 NH2 ARG A 70 19.013 -11.873 -5.812 1.00 0.00 N ATOM 0 H ARG A 70 15.096 -9.696 -1.369 1.00 0.00 H new ATOM 0 HA ARG A 70 15.659 -7.496 -2.919 1.00 0.00 H new ATOM 0 HB2 ARG A 70 15.845 -9.403 -4.777 1.00 0.00 H new ATOM 0 HB3 ARG A 70 16.994 -9.281 -3.459 1.00 0.00 H new ATOM 0 HG2 ARG A 70 16.344 -11.248 -2.537 1.00 0.00 H new ATOM 0 HG3 ARG A 70 14.640 -10.920 -2.783 1.00 0.00 H new ATOM 0 HD2 ARG A 70 15.567 -12.884 -4.099 1.00 0.00 H new ATOM 0 HD3 ARG A 70 14.698 -11.691 -5.045 1.00 0.00 H new ATOM 0 HE ARG A 70 16.646 -11.227 -6.218 1.00 0.00 H new ATOM 0 HH11 ARG A 70 17.449 -12.819 -3.163 1.00 0.00 H new ATOM 0 HH12 ARG A 70 19.164 -12.962 -3.558 1.00 0.00 H new ATOM 0 HH21 ARG A 70 18.851 -11.420 -6.711 1.00 0.00 H new ATOM 0 HH22 ARG A 70 19.953 -12.174 -5.555 1.00 0.00 H new ATOM 1120 N ASP A 71 12.983 -9.078 -4.070 1.00 0.00 N ATOM 1121 CA ASP A 71 11.789 -8.907 -4.892 1.00 0.00 C ATOM 1122 C ASP A 71 11.008 -7.660 -4.478 1.00 0.00 C ATOM 1123 O ASP A 71 10.253 -7.100 -5.274 1.00 0.00 O ATOM 1124 CB ASP A 71 10.891 -10.144 -4.787 1.00 0.00 C ATOM 1125 CG ASP A 71 9.650 -10.034 -5.652 1.00 0.00 C ATOM 1126 OD1 ASP A 71 9.650 -9.207 -6.588 1.00 0.00 O ATOM 1127 OD2 ASP A 71 8.679 -10.775 -5.393 1.00 0.00 O ATOM 0 H ASP A 71 13.066 -9.996 -3.634 1.00 0.00 H new ATOM 0 HA ASP A 71 12.109 -8.782 -5.927 1.00 0.00 H new ATOM 0 HB2 ASP A 71 11.458 -11.027 -5.081 1.00 0.00 H new ATOM 0 HB3 ASP A 71 10.595 -10.287 -3.748 1.00 0.00 H new ATOM 1132 N ASP A 72 11.191 -7.230 -3.232 1.00 0.00 N ATOM 1133 CA ASP A 72 10.500 -6.051 -2.724 1.00 0.00 C ATOM 1134 C ASP A 72 11.146 -4.764 -3.238 1.00 0.00 C ATOM 1135 O ASP A 72 10.546 -3.691 -3.170 1.00 0.00 O ATOM 1136 CB ASP A 72 10.489 -6.061 -1.192 1.00 0.00 C ATOM 1137 CG ASP A 72 9.085 -6.005 -0.623 1.00 0.00 C ATOM 1138 OD1 ASP A 72 8.308 -6.953 -0.867 1.00 0.00 O ATOM 1139 OD2 ASP A 72 8.762 -5.014 0.065 1.00 0.00 O ATOM 0 H ASP A 72 11.811 -7.680 -2.558 1.00 0.00 H new ATOM 0 HA ASP A 72 9.473 -6.082 -3.088 1.00 0.00 H new ATOM 0 HB2 ASP A 72 10.987 -6.962 -0.834 1.00 0.00 H new ATOM 0 HB3 ASP A 72 11.062 -5.211 -0.822 1.00 0.00 H new ATOM 1144 N SER A 73 12.369 -4.872 -3.753 1.00 0.00 N ATOM 1145 CA SER A 73 13.082 -3.712 -4.277 1.00 0.00 C ATOM 1146 C SER A 73 12.546 -3.325 -5.651 1.00 0.00 C ATOM 1147 O SER A 73 12.629 -4.105 -6.599 1.00 0.00 O ATOM 1148 CB SER A 73 14.581 -4.003 -4.367 1.00 0.00 C ATOM 1149 OG SER A 73 14.884 -4.761 -5.526 1.00 0.00 O ATOM 0 H SER A 73 12.885 -5.749 -3.818 1.00 0.00 H new ATOM 0 HA SER A 73 12.923 -2.879 -3.593 1.00 0.00 H new ATOM 0 HB2 SER A 73 15.136 -3.065 -4.386 1.00 0.00 H new ATOM 0 HB3 SER A 73 14.903 -4.546 -3.479 1.00 0.00 H new ATOM 0 HG SER A 73 14.551 -5.676 -5.415 1.00 0.00 H new ATOM 1155 N GLY A 74 11.992 -2.122 -5.754 1.00 0.00 N ATOM 1156 CA GLY A 74 11.452 -1.668 -7.014 1.00 0.00 C ATOM 1157 C GLY A 74 10.508 -0.489 -6.842 1.00 0.00 C ATOM 1158 O GLY A 74 10.654 0.295 -5.906 1.00 0.00 O ATOM 0 H GLY A 74 11.909 -1.456 -4.986 1.00 0.00 H new ATOM 0 HA2 GLY A 74 12.270 -1.383 -7.676 1.00 0.00 H new ATOM 0 HA3 GLY A 74 10.922 -2.489 -7.497 1.00 0.00 H new ATOM 1162 N THR A 75 9.543 -0.361 -7.745 1.00 0.00 N ATOM 1163 CA THR A 75 8.574 0.734 -7.688 1.00 0.00 C ATOM 1164 C THR A 75 7.189 0.205 -7.312 1.00 0.00 C ATOM 1165 O THR A 75 6.707 -0.766 -7.893 1.00 0.00 O ATOM 1166 CB THR A 75 8.531 1.448 -9.047 1.00 0.00 C ATOM 1167 OG1 THR A 75 9.591 2.381 -9.152 1.00 0.00 O ATOM 1168 CG2 THR A 75 7.242 2.196 -9.315 1.00 0.00 C ATOM 0 H THR A 75 9.408 -1.001 -8.527 1.00 0.00 H new ATOM 0 HA THR A 75 8.881 1.445 -6.921 1.00 0.00 H new ATOM 0 HB THR A 75 8.618 0.649 -9.783 1.00 0.00 H new ATOM 0 HG1 THR A 75 9.666 2.887 -8.316 1.00 0.00 H new ATOM 0 HG21 THR A 75 7.294 2.671 -10.295 1.00 0.00 H new ATOM 0 HG22 THR A 75 6.405 1.498 -9.294 1.00 0.00 H new ATOM 0 HG23 THR A 75 7.098 2.958 -8.549 1.00 0.00 H new ATOM 1176 N TYR A 76 6.555 0.855 -6.340 1.00 0.00 N ATOM 1177 CA TYR A 76 5.225 0.455 -5.892 1.00 0.00 C ATOM 1178 C TYR A 76 4.176 1.432 -6.413 1.00 0.00 C ATOM 1179 O TYR A 76 4.473 2.604 -6.645 1.00 0.00 O ATOM 1180 CB TYR A 76 5.172 0.389 -4.363 1.00 0.00 C ATOM 1181 CG TYR A 76 5.927 -0.785 -3.772 1.00 0.00 C ATOM 1182 CD1 TYR A 76 7.313 -0.857 -3.851 1.00 0.00 C ATOM 1183 CD2 TYR A 76 5.253 -1.818 -3.131 1.00 0.00 C ATOM 1184 CE1 TYR A 76 8.004 -1.921 -3.308 1.00 0.00 C ATOM 1185 CE2 TYR A 76 5.941 -2.889 -2.585 1.00 0.00 C ATOM 1186 CZ TYR A 76 7.315 -2.935 -2.676 1.00 0.00 C ATOM 1187 OH TYR A 76 8.000 -3.998 -2.132 1.00 0.00 O ATOM 0 H TYR A 76 6.941 1.661 -5.848 1.00 0.00 H new ATOM 0 HA TYR A 76 5.010 -0.537 -6.290 1.00 0.00 H new ATOM 0 HB2 TYR A 76 5.580 1.314 -3.955 1.00 0.00 H new ATOM 0 HB3 TYR A 76 4.130 0.334 -4.047 1.00 0.00 H new ATOM 0 HD1 TYR A 76 7.858 -0.067 -4.346 1.00 0.00 H new ATOM 0 HD2 TYR A 76 4.176 -1.785 -3.058 1.00 0.00 H new ATOM 0 HE1 TYR A 76 9.081 -1.960 -3.378 1.00 0.00 H new ATOM 0 HE2 TYR A 76 5.403 -3.684 -2.090 1.00 0.00 H new ATOM 0 HH TYR A 76 8.040 -3.897 -1.158 1.00 0.00 H new ATOM 1197 N ASN A 77 2.953 0.948 -6.606 1.00 0.00 N ATOM 1198 CA ASN A 77 1.875 1.789 -7.112 1.00 0.00 C ATOM 1199 C ASN A 77 0.594 1.600 -6.304 1.00 0.00 C ATOM 1200 O ASN A 77 0.092 0.482 -6.167 1.00 0.00 O ATOM 1201 CB ASN A 77 1.607 1.464 -8.583 1.00 0.00 C ATOM 1202 CG ASN A 77 2.379 2.363 -9.527 1.00 0.00 C ATOM 1203 OD1 ASN A 77 2.337 3.588 -9.412 1.00 0.00 O ATOM 1204 ND2 ASN A 77 3.089 1.756 -10.472 1.00 0.00 N ATOM 0 H ASN A 77 2.685 -0.018 -6.420 1.00 0.00 H new ATOM 0 HA ASN A 77 2.188 2.829 -7.015 1.00 0.00 H new ATOM 0 HB2 ASN A 77 1.874 0.425 -8.776 1.00 0.00 H new ATOM 0 HB3 ASN A 77 0.540 1.562 -8.785 1.00 0.00 H new ATOM 0 HD21 ASN A 77 3.628 2.308 -11.139 1.00 0.00 H new ATOM 0 HD22 ASN A 77 3.095 0.738 -10.530 1.00 0.00 H new ATOM 1211 N VAL A 78 0.056 2.704 -5.784 1.00 0.00 N ATOM 1212 CA VAL A 78 -1.177 2.649 -5.008 1.00 0.00 C ATOM 1213 C VAL A 78 -2.349 3.233 -5.790 1.00 0.00 C ATOM 1214 O VAL A 78 -2.243 4.317 -6.372 1.00 0.00 O ATOM 1215 CB VAL A 78 -1.092 3.407 -3.662 1.00 0.00 C ATOM 1216 CG1 VAL A 78 -1.922 2.685 -2.609 1.00 0.00 C ATOM 1217 CG2 VAL A 78 0.349 3.591 -3.192 1.00 0.00 C ATOM 0 H VAL A 78 0.453 3.638 -5.886 1.00 0.00 H new ATOM 0 HA VAL A 78 -1.331 1.589 -4.804 1.00 0.00 H new ATOM 0 HB VAL A 78 -1.499 4.406 -3.815 1.00 0.00 H new ATOM 0 HG11 VAL A 78 -1.858 3.223 -1.663 1.00 0.00 H new ATOM 0 HG12 VAL A 78 -2.962 2.642 -2.932 1.00 0.00 H new ATOM 0 HG13 VAL A 78 -1.541 1.673 -2.476 1.00 0.00 H new ATOM 0 HG21 VAL A 78 0.357 4.128 -2.244 1.00 0.00 H new ATOM 0 HG22 VAL A 78 0.816 2.615 -3.060 1.00 0.00 H new ATOM 0 HG23 VAL A 78 0.904 4.161 -3.936 1.00 0.00 H new ATOM 1227 N THR A 79 -3.473 2.520 -5.768 1.00 0.00 N ATOM 1228 CA THR A 79 -4.684 2.968 -6.444 1.00 0.00 C ATOM 1229 C THR A 79 -5.803 3.143 -5.427 1.00 0.00 C ATOM 1230 O THR A 79 -6.490 2.185 -5.070 1.00 0.00 O ATOM 1231 CB THR A 79 -5.103 1.976 -7.532 1.00 0.00 C ATOM 1232 OG1 THR A 79 -4.087 1.015 -7.760 1.00 0.00 O ATOM 1233 CG2 THR A 79 -5.408 2.646 -8.854 1.00 0.00 C ATOM 0 H THR A 79 -3.568 1.626 -5.286 1.00 0.00 H new ATOM 0 HA THR A 79 -4.481 3.925 -6.924 1.00 0.00 H new ATOM 0 HB THR A 79 -6.011 1.501 -7.159 1.00 0.00 H new ATOM 0 HG1 THR A 79 -4.496 0.157 -8.000 1.00 0.00 H new ATOM 0 HG21 THR A 79 -5.699 1.892 -9.585 1.00 0.00 H new ATOM 0 HG22 THR A 79 -6.223 3.357 -8.722 1.00 0.00 H new ATOM 0 HG23 THR A 79 -4.522 3.172 -9.208 1.00 0.00 H new ATOM 1241 N VAL A 80 -5.966 4.370 -4.953 1.00 0.00 N ATOM 1242 CA VAL A 80 -6.988 4.680 -3.960 1.00 0.00 C ATOM 1243 C VAL A 80 -8.329 4.963 -4.626 1.00 0.00 C ATOM 1244 O VAL A 80 -8.412 5.748 -5.568 1.00 0.00 O ATOM 1245 CB VAL A 80 -6.569 5.895 -3.096 1.00 0.00 C ATOM 1246 CG1 VAL A 80 -7.712 6.358 -2.203 1.00 0.00 C ATOM 1247 CG2 VAL A 80 -5.341 5.567 -2.254 1.00 0.00 C ATOM 0 H VAL A 80 -5.402 5.170 -5.240 1.00 0.00 H new ATOM 0 HA VAL A 80 -7.093 3.808 -3.315 1.00 0.00 H new ATOM 0 HB VAL A 80 -6.316 6.709 -3.776 1.00 0.00 H new ATOM 0 HG11 VAL A 80 -7.387 7.212 -1.609 1.00 0.00 H new ATOM 0 HG12 VAL A 80 -8.562 6.648 -2.821 1.00 0.00 H new ATOM 0 HG13 VAL A 80 -8.007 5.546 -1.539 1.00 0.00 H new ATOM 0 HG21 VAL A 80 -5.067 6.436 -1.656 1.00 0.00 H new ATOM 0 HG22 VAL A 80 -5.566 4.729 -1.594 1.00 0.00 H new ATOM 0 HG23 VAL A 80 -4.511 5.301 -2.909 1.00 0.00 H new ATOM 1257 N TYR A 81 -9.381 4.319 -4.124 1.00 0.00 N ATOM 1258 CA TYR A 81 -10.725 4.507 -4.663 1.00 0.00 C ATOM 1259 C TYR A 81 -11.643 5.110 -3.619 1.00 0.00 C ATOM 1260 O TYR A 81 -11.460 4.914 -2.413 1.00 0.00 O ATOM 1261 CB TYR A 81 -11.346 3.195 -5.131 1.00 0.00 C ATOM 1262 CG TYR A 81 -10.782 2.624 -6.417 1.00 0.00 C ATOM 1263 CD1 TYR A 81 -9.447 2.785 -6.771 1.00 0.00 C ATOM 1264 CD2 TYR A 81 -11.605 1.916 -7.283 1.00 0.00 C ATOM 1265 CE1 TYR A 81 -8.952 2.260 -7.949 1.00 0.00 C ATOM 1266 CE2 TYR A 81 -11.117 1.388 -8.464 1.00 0.00 C ATOM 1267 CZ TYR A 81 -9.790 1.564 -8.792 1.00 0.00 C ATOM 1268 OH TYR A 81 -9.301 1.040 -9.967 1.00 0.00 O ATOM 0 H TYR A 81 -9.328 3.663 -3.345 1.00 0.00 H new ATOM 0 HA TYR A 81 -10.620 5.178 -5.516 1.00 0.00 H new ATOM 0 HB2 TYR A 81 -11.223 2.454 -4.341 1.00 0.00 H new ATOM 0 HB3 TYR A 81 -12.417 3.347 -5.262 1.00 0.00 H new ATOM 0 HD1 TYR A 81 -8.786 3.330 -6.114 1.00 0.00 H new ATOM 0 HD2 TYR A 81 -12.645 1.775 -7.029 1.00 0.00 H new ATOM 0 HE1 TYR A 81 -7.912 2.395 -8.208 1.00 0.00 H new ATOM 0 HE2 TYR A 81 -11.772 0.841 -9.126 1.00 0.00 H new ATOM 0 HH TYR A 81 -10.022 0.578 -10.444 1.00 0.00 H new ATOM 1278 N SER A 82 -12.646 5.815 -4.111 1.00 0.00 N ATOM 1279 CA SER A 82 -13.644 6.463 -3.267 1.00 0.00 C ATOM 1280 C SER A 82 -14.846 5.552 -3.050 1.00 0.00 C ATOM 1281 O SER A 82 -14.901 4.440 -3.574 1.00 0.00 O ATOM 1282 CB SER A 82 -14.101 7.779 -3.899 1.00 0.00 C ATOM 1283 OG SER A 82 -13.591 7.925 -5.213 1.00 0.00 O ATOM 0 H SER A 82 -12.795 5.957 -5.110 1.00 0.00 H new ATOM 0 HA SER A 82 -13.185 6.670 -2.300 1.00 0.00 H new ATOM 0 HB2 SER A 82 -15.190 7.814 -3.924 1.00 0.00 H new ATOM 0 HB3 SER A 82 -13.769 8.615 -3.283 1.00 0.00 H new ATOM 0 HG SER A 82 -14.069 8.648 -5.671 1.00 0.00 H new ATOM 1289 N THR A 83 -15.811 6.040 -2.280 1.00 0.00 N ATOM 1290 CA THR A 83 -17.022 5.279 -1.995 1.00 0.00 C ATOM 1291 C THR A 83 -17.838 5.049 -3.265 1.00 0.00 C ATOM 1292 O THR A 83 -18.628 4.109 -3.344 1.00 0.00 O ATOM 1293 CB THR A 83 -17.873 6.008 -0.954 1.00 0.00 C ATOM 1294 OG1 THR A 83 -17.707 7.411 -1.064 1.00 0.00 O ATOM 1295 CG2 THR A 83 -17.542 5.616 0.471 1.00 0.00 C ATOM 0 H THR A 83 -15.779 6.960 -1.841 1.00 0.00 H new ATOM 0 HA THR A 83 -16.724 4.308 -1.598 1.00 0.00 H new ATOM 0 HB THR A 83 -18.901 5.714 -1.165 1.00 0.00 H new ATOM 0 HG1 THR A 83 -18.261 7.860 -0.391 1.00 0.00 H new ATOM 0 HG21 THR A 83 -18.182 6.170 1.159 1.00 0.00 H new ATOM 0 HG22 THR A 83 -17.708 4.547 0.602 1.00 0.00 H new ATOM 0 HG23 THR A 83 -16.498 5.849 0.679 1.00 0.00 H new ATOM 1303 N ASN A 84 -17.644 5.915 -4.258 1.00 0.00 N ATOM 1304 CA ASN A 84 -18.366 5.803 -5.521 1.00 0.00 C ATOM 1305 C ASN A 84 -17.675 4.830 -6.478 1.00 0.00 C ATOM 1306 O ASN A 84 -18.193 4.537 -7.556 1.00 0.00 O ATOM 1307 CB ASN A 84 -18.494 7.176 -6.180 1.00 0.00 C ATOM 1308 CG ASN A 84 -19.669 7.969 -5.641 1.00 0.00 C ATOM 1309 OD1 ASN A 84 -20.662 8.179 -6.337 1.00 0.00 O ATOM 1310 ND2 ASN A 84 -19.560 8.414 -4.395 1.00 0.00 N ATOM 0 H ASN A 84 -16.994 6.700 -4.211 1.00 0.00 H new ATOM 0 HA ASN A 84 -19.360 5.413 -5.301 1.00 0.00 H new ATOM 0 HB2 ASN A 84 -17.575 7.740 -6.020 1.00 0.00 H new ATOM 0 HB3 ASN A 84 -18.608 7.050 -7.257 1.00 0.00 H new ATOM 0 HD21 ASN A 84 -20.318 8.954 -3.978 1.00 0.00 H new ATOM 0 HD22 ASN A 84 -18.718 8.216 -3.855 1.00 0.00 H new ATOM 1317 N GLY A 85 -16.507 4.331 -6.081 1.00 0.00 N ATOM 1318 CA GLY A 85 -15.777 3.399 -6.920 1.00 0.00 C ATOM 1319 C GLY A 85 -14.860 4.093 -7.911 1.00 0.00 C ATOM 1320 O GLY A 85 -14.449 3.497 -8.906 1.00 0.00 O ATOM 0 H GLY A 85 -16.055 4.556 -5.195 1.00 0.00 H new ATOM 0 HA2 GLY A 85 -15.186 2.735 -6.289 1.00 0.00 H new ATOM 0 HA3 GLY A 85 -16.486 2.775 -7.464 1.00 0.00 H new ATOM 1324 N THR A 86 -14.539 5.354 -7.639 1.00 0.00 N ATOM 1325 CA THR A 86 -13.663 6.126 -8.514 1.00 0.00 C ATOM 1326 C THR A 86 -12.288 6.311 -7.880 1.00 0.00 C ATOM 1327 O THR A 86 -12.174 6.506 -6.670 1.00 0.00 O ATOM 1328 CB THR A 86 -14.286 7.490 -8.819 1.00 0.00 C ATOM 1329 OG1 THR A 86 -15.686 7.461 -8.605 1.00 0.00 O ATOM 1330 CG2 THR A 86 -14.048 7.952 -10.239 1.00 0.00 C ATOM 0 H THR A 86 -14.872 5.863 -6.820 1.00 0.00 H new ATOM 0 HA THR A 86 -13.542 5.574 -9.446 1.00 0.00 H new ATOM 0 HB THR A 86 -13.797 8.189 -8.140 1.00 0.00 H new ATOM 0 HG1 THR A 86 -16.066 8.342 -8.804 1.00 0.00 H new ATOM 0 HG21 THR A 86 -14.516 8.925 -10.388 1.00 0.00 H new ATOM 0 HG22 THR A 86 -12.976 8.033 -10.420 1.00 0.00 H new ATOM 0 HG23 THR A 86 -14.480 7.231 -10.933 1.00 0.00 H new ATOM 1338 N ARG A 87 -11.246 6.247 -8.702 1.00 0.00 N ATOM 1339 CA ARG A 87 -9.881 6.406 -8.213 1.00 0.00 C ATOM 1340 C ARG A 87 -9.667 7.801 -7.631 1.00 0.00 C ATOM 1341 O ARG A 87 -9.661 8.795 -8.356 1.00 0.00 O ATOM 1342 CB ARG A 87 -8.877 6.146 -9.339 1.00 0.00 C ATOM 1343 CG ARG A 87 -9.242 4.964 -10.223 1.00 0.00 C ATOM 1344 CD ARG A 87 -9.887 5.418 -11.523 1.00 0.00 C ATOM 1345 NE ARG A 87 -8.928 5.452 -12.626 1.00 0.00 N ATOM 1346 CZ ARG A 87 -9.240 5.815 -13.868 1.00 0.00 C ATOM 1347 NH1 ARG A 87 -10.482 6.175 -14.170 1.00 0.00 N ATOM 1348 NH2 ARG A 87 -8.308 5.820 -14.812 1.00 0.00 N ATOM 0 H ARG A 87 -11.320 6.087 -9.707 1.00 0.00 H new ATOM 0 HA ARG A 87 -9.720 5.676 -7.420 1.00 0.00 H new ATOM 0 HB2 ARG A 87 -8.799 7.040 -9.957 1.00 0.00 H new ATOM 0 HB3 ARG A 87 -7.893 5.972 -8.903 1.00 0.00 H new ATOM 0 HG2 ARG A 87 -8.346 4.383 -10.444 1.00 0.00 H new ATOM 0 HG3 ARG A 87 -9.925 4.305 -9.687 1.00 0.00 H new ATOM 0 HD2 ARG A 87 -10.707 4.745 -11.776 1.00 0.00 H new ATOM 0 HD3 ARG A 87 -10.319 6.410 -11.387 1.00 0.00 H new ATOM 0 HE ARG A 87 -7.964 5.182 -12.432 1.00 0.00 H new ATOM 0 HH11 ARG A 87 -11.203 6.174 -13.448 1.00 0.00 H new ATOM 0 HH12 ARG A 87 -10.715 6.452 -15.124 1.00 0.00 H new ATOM 0 HH21 ARG A 87 -7.352 5.546 -14.586 1.00 0.00 H new ATOM 0 HH22 ARG A 87 -8.547 6.098 -15.764 1.00 0.00 H new ATOM 1362 N ILE A 88 -9.495 7.861 -6.315 1.00 0.00 N ATOM 1363 CA ILE A 88 -9.281 9.124 -5.620 1.00 0.00 C ATOM 1364 C ILE A 88 -7.831 9.582 -5.744 1.00 0.00 C ATOM 1365 O ILE A 88 -7.562 10.771 -5.918 1.00 0.00 O ATOM 1366 CB ILE A 88 -9.655 9.004 -4.124 1.00 0.00 C ATOM 1367 CG1 ILE A 88 -11.169 8.851 -3.969 1.00 0.00 C ATOM 1368 CG2 ILE A 88 -9.156 10.208 -3.331 1.00 0.00 C ATOM 1369 CD1 ILE A 88 -11.954 10.017 -4.533 1.00 0.00 C ATOM 0 H ILE A 88 -9.500 7.043 -5.705 1.00 0.00 H new ATOM 0 HA ILE A 88 -9.927 9.865 -6.091 1.00 0.00 H new ATOM 0 HB ILE A 88 -9.167 8.116 -3.723 1.00 0.00 H new ATOM 0 HG12 ILE A 88 -11.487 7.935 -4.467 1.00 0.00 H new ATOM 0 HG13 ILE A 88 -11.409 8.739 -2.912 1.00 0.00 H new ATOM 0 HG21 ILE A 88 -9.434 10.094 -2.283 1.00 0.00 H new ATOM 0 HG22 ILE A 88 -8.071 10.274 -3.413 1.00 0.00 H new ATOM 0 HG23 ILE A 88 -9.606 11.118 -3.729 1.00 0.00 H new ATOM 0 HD11 ILE A 88 -13.020 9.842 -4.389 1.00 0.00 H new ATOM 0 HD12 ILE A 88 -11.664 10.933 -4.019 1.00 0.00 H new ATOM 0 HD13 ILE A 88 -11.743 10.116 -5.598 1.00 0.00 H new ATOM 1381 N LEU A 89 -6.898 8.640 -5.642 1.00 0.00 N ATOM 1382 CA LEU A 89 -5.482 8.972 -5.732 1.00 0.00 C ATOM 1383 C LEU A 89 -4.654 7.798 -6.248 1.00 0.00 C ATOM 1384 O LEU A 89 -4.708 6.694 -5.705 1.00 0.00 O ATOM 1385 CB LEU A 89 -4.961 9.414 -4.360 1.00 0.00 C ATOM 1386 CG LEU A 89 -3.439 9.545 -4.248 1.00 0.00 C ATOM 1387 CD1 LEU A 89 -3.069 10.692 -3.318 1.00 0.00 C ATOM 1388 CD2 LEU A 89 -2.824 8.239 -3.760 1.00 0.00 C ATOM 0 H LEU A 89 -7.095 7.650 -5.498 1.00 0.00 H new ATOM 0 HA LEU A 89 -5.379 9.789 -6.446 1.00 0.00 H new ATOM 0 HB2 LEU A 89 -5.411 10.375 -4.111 1.00 0.00 H new ATOM 0 HB3 LEU A 89 -5.303 8.699 -3.612 1.00 0.00 H new ATOM 0 HG LEU A 89 -3.039 9.763 -5.238 1.00 0.00 H new ATOM 0 HD11 LEU A 89 -1.984 10.770 -3.250 1.00 0.00 H new ATOM 0 HD12 LEU A 89 -3.476 11.624 -3.710 1.00 0.00 H new ATOM 0 HD13 LEU A 89 -3.482 10.504 -2.327 1.00 0.00 H new ATOM 0 HD21 LEU A 89 -1.742 8.351 -3.687 1.00 0.00 H new ATOM 0 HD22 LEU A 89 -3.230 7.989 -2.780 1.00 0.00 H new ATOM 0 HD23 LEU A 89 -3.059 7.441 -4.464 1.00 0.00 H new ATOM 1400 N ASN A 90 -3.868 8.063 -7.285 1.00 0.00 N ATOM 1401 CA ASN A 90 -2.992 7.058 -7.875 1.00 0.00 C ATOM 1402 C ASN A 90 -1.546 7.508 -7.719 1.00 0.00 C ATOM 1403 O ASN A 90 -1.114 8.463 -8.364 1.00 0.00 O ATOM 1404 CB ASN A 90 -3.327 6.853 -9.354 1.00 0.00 C ATOM 1405 CG ASN A 90 -2.491 5.759 -9.989 1.00 0.00 C ATOM 1406 OD1 ASN A 90 -2.491 4.580 -9.374 1.00 0.00 O flip ATOM 1407 ND2 ASN A 90 -1.851 5.968 -11.019 1.00 0.00 N flip ATOM 0 H ASN A 90 -3.820 8.975 -7.738 1.00 0.00 H new ATOM 0 HA ASN A 90 -3.137 6.107 -7.362 1.00 0.00 H new ATOM 0 HB2 ASN A 90 -4.383 6.603 -9.453 1.00 0.00 H new ATOM 0 HB3 ASN A 90 -3.168 7.787 -9.893 1.00 0.00 H new ATOM 0 HD21 ASN A 90 -1.879 6.888 -11.459 1.00 0.00 H new ATOM 0 HD22 ASN A 90 -1.293 5.221 -11.433 1.00 0.00 H new ATOM 1414 N LYS A 91 -0.809 6.845 -6.836 1.00 0.00 N ATOM 1415 CA LYS A 91 0.580 7.225 -6.581 1.00 0.00 C ATOM 1416 C LYS A 91 1.566 6.106 -6.900 1.00 0.00 C ATOM 1417 O LYS A 91 1.207 4.930 -6.948 1.00 0.00 O ATOM 1418 CB LYS A 91 0.751 7.651 -5.122 1.00 0.00 C ATOM 1419 CG LYS A 91 -0.045 8.889 -4.751 1.00 0.00 C ATOM 1420 CD LYS A 91 0.788 10.153 -4.903 1.00 0.00 C ATOM 1421 CE LYS A 91 -0.090 11.388 -5.020 1.00 0.00 C ATOM 1422 NZ LYS A 91 0.535 12.436 -5.873 1.00 0.00 N ATOM 0 H LYS A 91 -1.142 6.051 -6.289 1.00 0.00 H new ATOM 0 HA LYS A 91 0.803 8.059 -7.246 1.00 0.00 H new ATOM 0 HB2 LYS A 91 0.449 6.828 -4.475 1.00 0.00 H new ATOM 0 HB3 LYS A 91 1.807 7.837 -4.928 1.00 0.00 H new ATOM 0 HG2 LYS A 91 -0.930 8.957 -5.383 1.00 0.00 H new ATOM 0 HG3 LYS A 91 -0.394 8.804 -3.722 1.00 0.00 H new ATOM 0 HD2 LYS A 91 1.452 10.258 -4.045 1.00 0.00 H new ATOM 0 HD3 LYS A 91 1.420 10.069 -5.787 1.00 0.00 H new ATOM 0 HE2 LYS A 91 -1.056 11.108 -5.439 1.00 0.00 H new ATOM 0 HE3 LYS A 91 -0.279 11.794 -4.026 1.00 0.00 H new ATOM 0 HZ1 LYS A 91 -0.096 13.261 -5.927 1.00 0.00 H new ATOM 0 HZ2 LYS A 91 1.445 12.722 -5.460 1.00 0.00 H new ATOM 0 HZ3 LYS A 91 0.692 12.057 -6.829 1.00 0.00 H new ATOM 1436 N ALA A 92 2.820 6.503 -7.103 1.00 0.00 N ATOM 1437 CA ALA A 92 3.897 5.574 -7.403 1.00 0.00 C ATOM 1438 C ALA A 92 5.158 5.970 -6.640 1.00 0.00 C ATOM 1439 O ALA A 92 5.643 7.094 -6.773 1.00 0.00 O ATOM 1440 CB ALA A 92 4.169 5.553 -8.896 1.00 0.00 C ATOM 0 H ALA A 92 3.114 7.479 -7.063 1.00 0.00 H new ATOM 0 HA ALA A 92 3.598 4.574 -7.089 1.00 0.00 H new ATOM 0 HB1 ALA A 92 4.978 4.854 -9.109 1.00 0.00 H new ATOM 0 HB2 ALA A 92 3.269 5.239 -9.425 1.00 0.00 H new ATOM 0 HB3 ALA A 92 4.456 6.551 -9.228 1.00 0.00 H new ATOM 1446 N LEU A 93 5.677 5.054 -5.829 1.00 0.00 N ATOM 1447 CA LEU A 93 6.872 5.332 -5.038 1.00 0.00 C ATOM 1448 C LEU A 93 8.007 4.373 -5.381 1.00 0.00 C ATOM 1449 O LEU A 93 7.786 3.311 -5.962 1.00 0.00 O ATOM 1450 CB LEU A 93 6.551 5.237 -3.545 1.00 0.00 C ATOM 1451 CG LEU A 93 5.185 5.793 -3.136 1.00 0.00 C ATOM 1452 CD1 LEU A 93 4.081 4.812 -3.494 1.00 0.00 C ATOM 1453 CD2 LEU A 93 5.163 6.104 -1.649 1.00 0.00 C ATOM 0 H LEU A 93 5.292 4.118 -5.702 1.00 0.00 H new ATOM 0 HA LEU A 93 7.198 6.344 -5.278 1.00 0.00 H new ATOM 0 HB2 LEU A 93 6.605 4.191 -3.244 1.00 0.00 H new ATOM 0 HB3 LEU A 93 7.323 5.769 -2.989 1.00 0.00 H new ATOM 0 HG LEU A 93 5.010 6.719 -3.684 1.00 0.00 H new ATOM 0 HD11 LEU A 93 3.117 5.224 -3.196 1.00 0.00 H new ATOM 0 HD12 LEU A 93 4.084 4.638 -4.570 1.00 0.00 H new ATOM 0 HD13 LEU A 93 4.249 3.869 -2.973 1.00 0.00 H new ATOM 0 HD21 LEU A 93 4.185 6.499 -1.374 1.00 0.00 H new ATOM 0 HD22 LEU A 93 5.359 5.193 -1.084 1.00 0.00 H new ATOM 0 HD23 LEU A 93 5.930 6.844 -1.421 1.00 0.00 H new ATOM 1465 N ASP A 94 9.224 4.757 -5.005 1.00 0.00 N ATOM 1466 CA ASP A 94 10.401 3.938 -5.257 1.00 0.00 C ATOM 1467 C ASP A 94 10.959 3.388 -3.946 1.00 0.00 C ATOM 1468 O ASP A 94 11.284 4.146 -3.034 1.00 0.00 O ATOM 1469 CB ASP A 94 11.474 4.757 -5.979 1.00 0.00 C ATOM 1470 CG ASP A 94 11.064 5.132 -7.389 1.00 0.00 C ATOM 1471 OD1 ASP A 94 11.059 4.240 -8.263 1.00 0.00 O ATOM 1472 OD2 ASP A 94 10.747 6.318 -7.619 1.00 0.00 O ATOM 0 H ASP A 94 9.419 5.634 -4.523 1.00 0.00 H new ATOM 0 HA ASP A 94 10.109 3.102 -5.892 1.00 0.00 H new ATOM 0 HB2 ASP A 94 11.679 5.664 -5.410 1.00 0.00 H new ATOM 0 HB3 ASP A 94 12.402 4.186 -6.013 1.00 0.00 H new ATOM 1477 N LEU A 95 11.059 2.067 -3.850 1.00 0.00 N ATOM 1478 CA LEU A 95 11.569 1.431 -2.643 1.00 0.00 C ATOM 1479 C LEU A 95 12.858 0.660 -2.931 1.00 0.00 C ATOM 1480 O LEU A 95 12.817 -0.448 -3.472 1.00 0.00 O ATOM 1481 CB LEU A 95 10.513 0.480 -2.068 1.00 0.00 C ATOM 1482 CG LEU A 95 10.278 0.596 -0.561 1.00 0.00 C ATOM 1483 CD1 LEU A 95 9.172 -0.344 -0.117 1.00 0.00 C ATOM 1484 CD2 LEU A 95 11.557 0.305 0.203 1.00 0.00 C ATOM 0 H LEU A 95 10.794 1.418 -4.591 1.00 0.00 H new ATOM 0 HA LEU A 95 11.791 2.211 -1.915 1.00 0.00 H new ATOM 0 HB2 LEU A 95 9.568 0.660 -2.581 1.00 0.00 H new ATOM 0 HB3 LEU A 95 10.809 -0.544 -2.295 1.00 0.00 H new ATOM 0 HG LEU A 95 9.970 1.618 -0.343 1.00 0.00 H new ATOM 0 HD11 LEU A 95 9.021 -0.246 0.958 1.00 0.00 H new ATOM 0 HD12 LEU A 95 8.249 -0.091 -0.638 1.00 0.00 H new ATOM 0 HD13 LEU A 95 9.451 -1.371 -0.352 1.00 0.00 H new ATOM 0 HD21 LEU A 95 11.369 0.393 1.273 1.00 0.00 H new ATOM 0 HD22 LEU A 95 11.895 -0.706 -0.025 1.00 0.00 H new ATOM 0 HD23 LEU A 95 12.326 1.019 -0.090 1.00 0.00 H new ATOM 1496 N ARG A 96 13.997 1.247 -2.567 1.00 0.00 N ATOM 1497 CA ARG A 96 15.291 0.605 -2.785 1.00 0.00 C ATOM 1498 C ARG A 96 15.734 -0.165 -1.543 1.00 0.00 C ATOM 1499 O ARG A 96 15.801 0.387 -0.439 1.00 0.00 O ATOM 1500 CB ARG A 96 16.365 1.627 -3.184 1.00 0.00 C ATOM 1501 CG ARG A 96 15.816 2.980 -3.614 1.00 0.00 C ATOM 1502 CD ARG A 96 14.947 2.858 -4.857 1.00 0.00 C ATOM 1503 NE ARG A 96 15.554 1.999 -5.871 1.00 0.00 N ATOM 1504 CZ ARG A 96 14.872 1.407 -6.848 1.00 0.00 C ATOM 1505 NH1 ARG A 96 13.560 1.579 -6.951 1.00 0.00 N ATOM 1506 NH2 ARG A 96 15.503 0.640 -7.727 1.00 0.00 N ATOM 0 H ARG A 96 14.050 2.163 -2.121 1.00 0.00 H new ATOM 0 HA ARG A 96 15.169 -0.099 -3.608 1.00 0.00 H new ATOM 0 HB2 ARG A 96 17.041 1.774 -2.341 1.00 0.00 H new ATOM 0 HB3 ARG A 96 16.958 1.213 -4.000 1.00 0.00 H new ATOM 0 HG2 ARG A 96 15.232 3.412 -2.801 1.00 0.00 H new ATOM 0 HG3 ARG A 96 16.642 3.663 -3.812 1.00 0.00 H new ATOM 0 HD2 ARG A 96 13.972 2.457 -4.579 1.00 0.00 H new ATOM 0 HD3 ARG A 96 14.776 3.849 -5.278 1.00 0.00 H new ATOM 0 HE ARG A 96 16.561 1.844 -5.827 1.00 0.00 H new ATOM 0 HH11 ARG A 96 13.069 2.168 -6.279 1.00 0.00 H new ATOM 0 HH12 ARG A 96 13.043 1.122 -7.702 1.00 0.00 H new ATOM 0 HH21 ARG A 96 16.511 0.504 -7.654 1.00 0.00 H new ATOM 0 HH22 ARG A 96 14.980 0.186 -8.476 1.00 0.00 H new ATOM 1520 N ILE A 97 16.026 -1.450 -1.734 1.00 0.00 N ATOM 1521 CA ILE A 97 16.447 -2.311 -0.636 1.00 0.00 C ATOM 1522 C ILE A 97 17.924 -2.672 -0.728 1.00 0.00 C ATOM 1523 O ILE A 97 18.342 -3.402 -1.627 1.00 0.00 O ATOM 1524 CB ILE A 97 15.631 -3.618 -0.596 1.00 0.00 C ATOM 1525 CG1 ILE A 97 14.184 -3.374 -1.033 1.00 0.00 C ATOM 1526 CG2 ILE A 97 15.674 -4.222 0.797 1.00 0.00 C ATOM 1527 CD1 ILE A 97 13.528 -2.199 -0.342 1.00 0.00 C ATOM 0 H ILE A 97 15.978 -1.916 -2.640 1.00 0.00 H new ATOM 0 HA ILE A 97 16.272 -1.739 0.275 1.00 0.00 H new ATOM 0 HB ILE A 97 16.079 -4.323 -1.296 1.00 0.00 H new ATOM 0 HG12 ILE A 97 14.162 -3.208 -2.110 1.00 0.00 H new ATOM 0 HG13 ILE A 97 13.599 -4.272 -0.837 1.00 0.00 H new ATOM 0 HG21 ILE A 97 15.094 -5.145 0.812 1.00 0.00 H new ATOM 0 HG22 ILE A 97 16.707 -4.439 1.068 1.00 0.00 H new ATOM 0 HG23 ILE A 97 15.252 -3.517 1.513 1.00 0.00 H new ATOM 0 HD11 ILE A 97 12.505 -2.089 -0.703 1.00 0.00 H new ATOM 0 HD12 ILE A 97 13.516 -2.370 0.734 1.00 0.00 H new ATOM 0 HD13 ILE A 97 14.089 -1.290 -0.559 1.00 0.00 H new ATOM 1539 N LEU A 98 18.706 -2.168 0.218 1.00 0.00 N ATOM 1540 CA LEU A 98 20.119 -2.436 0.272 1.00 0.00 C ATOM 1541 C LEU A 98 20.372 -3.863 0.746 1.00 0.00 C ATOM 1542 O LEU A 98 19.918 -4.264 1.822 1.00 0.00 O ATOM 1543 CB LEU A 98 20.770 -1.439 1.220 1.00 0.00 C ATOM 1544 CG LEU A 98 21.325 -0.183 0.553 1.00 0.00 C ATOM 1545 CD1 LEU A 98 21.969 0.732 1.583 1.00 0.00 C ATOM 1546 CD2 LEU A 98 22.323 -0.553 -0.535 1.00 0.00 C ATOM 0 H LEU A 98 18.368 -1.562 0.966 1.00 0.00 H new ATOM 0 HA LEU A 98 20.550 -2.331 -0.724 1.00 0.00 H new ATOM 0 HB2 LEU A 98 20.037 -1.141 1.969 1.00 0.00 H new ATOM 0 HB3 LEU A 98 21.581 -1.940 1.749 1.00 0.00 H new ATOM 0 HG LEU A 98 20.497 0.354 0.091 1.00 0.00 H new ATOM 0 HD11 LEU A 98 22.358 1.621 1.087 1.00 0.00 H new ATOM 0 HD12 LEU A 98 21.226 1.026 2.324 1.00 0.00 H new ATOM 0 HD13 LEU A 98 22.786 0.206 2.077 1.00 0.00 H new ATOM 0 HD21 LEU A 98 22.708 0.355 -0.999 1.00 0.00 H new ATOM 0 HD22 LEU A 98 23.148 -1.114 -0.096 1.00 0.00 H new ATOM 0 HD23 LEU A 98 21.829 -1.165 -1.289 1.00 0.00 H new