USER MOD reduce.3.24.130724 H: found=0, std=0, add=489, rem=0, adj=19 USER MOD reduce.3.24.130724 removed 494 hydrogens (19 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 NoAdj-H: A1148 2MR HXT : A1148 2MR OXT : A1148 2MR C :(short bond) USER MOD Set 1.1: A 127 TYR OH : rot -170:sc= 1.19 USER MOD Set 1.2: A 136 GLN : amide:sc= -0.164 K(o=1,f=-2.5!) USER MOD Set 2.1: A 112 THR OG1 : rot 73:sc= 0.158 USER MOD Set 2.2: A 128 THR OG1 : rot 180:sc= 0.155 USER MOD Set 3.1: A 85 THR OG1 : rot 174:sc= 0 USER MOD Set 3.2: A 91 GLN : amide:sc= -1.89 K(o=-1.9,f=-3.9!) USER MOD Single : A 84 ASN : amide:sc= 0 X(o=0,f=-0.41) USER MOD Single : A 88 SER OG : rot 180:sc= -0.0261 USER MOD Single : A 90 GLN : amide:sc= -0.591 K(o=-0.59,f=0) USER MOD Single : A 93 LYS NZ :NH3+ 166:sc= 1.22 (180deg=1.04) USER MOD Single : A 97 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 98 CYS SG : rot 2:sc= 1.15 USER MOD Single : A 99 SER OG : rot 138:sc= -1.7! USER MOD Single : A 103 SER OG : rot 141:sc= 1.14 USER MOD Single : A 107 CYS SG : rot 116:sc= 1.22 USER MOD Single : A 109 TYR OH : rot 180:sc= 0 USER MOD Single : A 115 SER OG : rot 180:sc= 0 USER MOD Single : A 119 LYS NZ :NH3+ 173:sc= -0.0319 (180deg=-0.127) USER MOD Single : A 122 THR OG1 : rot 180:sc= -0.441 USER MOD Single : A 123 CYS SG : rot -16:sc= -4.74! USER MOD Single : A 130 TYR OH : rot -131:sc= 0.184 USER MOD Single : A 132 ASN : amide:sc= -2.25! X(o=-2.3!,f=-1.8) USER MOD Single : A 137 ASN : amide:sc=-0.00423 X(o=-0.0042,f=0) USER MOD Single : A 139 SER OG : rot 180:sc= 0 USER MOD Single : A 143 SER OG : rot 180:sc= 0 USER MOD Single : A 146 CYS SG : rot 180:sc= 0 USER MOD ----------------------------------------------------------------- ATOM 1 N ASN A 84 -20.671 -10.398 -0.028 1.00 0.00 N ATOM 2 CA ASN A 84 -19.226 -10.565 -0.054 1.00 0.00 C ATOM 3 C ASN A 84 -18.697 -10.045 -1.363 1.00 0.00 C ATOM 4 O ASN A 84 -18.998 -10.597 -2.414 1.00 0.00 O ATOM 5 CB ASN A 84 -18.858 -12.055 0.093 1.00 0.00 C ATOM 6 CG ASN A 84 -17.357 -12.314 0.009 1.00 0.00 C ATOM 7 OD1 ASN A 84 -16.546 -11.484 0.400 1.00 0.00 O ATOM 8 ND2 ASN A 84 -16.982 -13.456 -0.508 1.00 0.00 N ATOM 0 HA ASN A 84 -18.785 -10.011 0.775 1.00 0.00 H new ATOM 0 HB2 ASN A 84 -19.231 -12.422 1.049 1.00 0.00 H new ATOM 0 HB3 ASN A 84 -19.363 -12.626 -0.686 1.00 0.00 H new ATOM 0 HD21 ASN A 84 -15.990 -13.675 -0.594 1.00 0.00 H new ATOM 0 HD22 ASN A 84 -17.682 -14.127 -0.825 1.00 0.00 H new ATOM 17 N THR A 85 -17.966 -8.969 -1.315 1.00 0.00 N ATOM 18 CA THR A 85 -17.359 -8.428 -2.493 1.00 0.00 C ATOM 19 C THR A 85 -16.205 -9.335 -2.914 1.00 0.00 C ATOM 20 O THR A 85 -15.320 -9.622 -2.114 1.00 0.00 O ATOM 21 CB THR A 85 -16.842 -7.001 -2.219 1.00 0.00 C ATOM 22 OG1 THR A 85 -17.931 -6.180 -1.754 1.00 0.00 O ATOM 23 CG2 THR A 85 -16.258 -6.386 -3.480 1.00 0.00 C ATOM 0 H THR A 85 -17.775 -8.445 -0.461 1.00 0.00 H new ATOM 0 HA THR A 85 -18.096 -8.376 -3.294 1.00 0.00 H new ATOM 0 HB THR A 85 -16.060 -7.055 -1.461 1.00 0.00 H new ATOM 0 HG1 THR A 85 -17.587 -5.303 -1.485 1.00 0.00 H new ATOM 0 HG21 THR A 85 -15.900 -5.380 -3.262 1.00 0.00 H new ATOM 0 HG22 THR A 85 -15.428 -6.998 -3.833 1.00 0.00 H new ATOM 0 HG23 THR A 85 -17.027 -6.338 -4.251 1.00 0.00 H new ATOM 31 N ALA A 86 -16.240 -9.814 -4.145 1.00 0.00 N ATOM 32 CA ALA A 86 -15.197 -10.692 -4.648 1.00 0.00 C ATOM 33 C ALA A 86 -13.880 -9.944 -4.755 1.00 0.00 C ATOM 34 O ALA A 86 -12.805 -10.511 -4.541 1.00 0.00 O ATOM 35 CB ALA A 86 -15.595 -11.292 -5.982 1.00 0.00 C ATOM 0 H ALA A 86 -16.980 -9.610 -4.816 1.00 0.00 H new ATOM 0 HA ALA A 86 -15.065 -11.511 -3.942 1.00 0.00 H new ATOM 0 HB1 ALA A 86 -14.799 -11.946 -6.339 1.00 0.00 H new ATOM 0 HB2 ALA A 86 -16.512 -11.869 -5.862 1.00 0.00 H new ATOM 0 HB3 ALA A 86 -15.761 -10.493 -6.705 1.00 0.00 H new ATOM 41 N ALA A 87 -13.966 -8.671 -5.058 1.00 0.00 N ATOM 42 CA ALA A 87 -12.804 -7.834 -5.120 1.00 0.00 C ATOM 43 C ALA A 87 -12.434 -7.364 -3.727 1.00 0.00 C ATOM 44 O ALA A 87 -12.890 -6.323 -3.259 1.00 0.00 O ATOM 45 CB ALA A 87 -13.021 -6.659 -6.036 1.00 0.00 C ATOM 0 H ALA A 87 -14.842 -8.193 -5.267 1.00 0.00 H new ATOM 0 HA ALA A 87 -11.981 -8.420 -5.529 1.00 0.00 H new ATOM 0 HB1 ALA A 87 -12.121 -6.045 -6.060 1.00 0.00 H new ATOM 0 HB2 ALA A 87 -13.243 -7.017 -7.041 1.00 0.00 H new ATOM 0 HB3 ALA A 87 -13.857 -6.063 -5.671 1.00 0.00 H new ATOM 51 N SER A 88 -11.651 -8.151 -3.058 1.00 0.00 N ATOM 52 CA SER A 88 -11.273 -7.867 -1.688 1.00 0.00 C ATOM 53 C SER A 88 -9.852 -7.364 -1.586 1.00 0.00 C ATOM 54 O SER A 88 -9.344 -7.096 -0.506 1.00 0.00 O ATOM 55 CB SER A 88 -11.503 -9.081 -0.806 1.00 0.00 C ATOM 56 OG SER A 88 -12.847 -9.519 -0.922 1.00 0.00 O ATOM 0 H SER A 88 -11.250 -9.010 -3.435 1.00 0.00 H new ATOM 0 HA SER A 88 -11.914 -7.063 -1.328 1.00 0.00 H new ATOM 0 HB2 SER A 88 -10.824 -9.884 -1.094 1.00 0.00 H new ATOM 0 HB3 SER A 88 -11.281 -8.834 0.232 1.00 0.00 H new ATOM 0 HG SER A 88 -12.986 -10.303 -0.351 1.00 0.00 H new ATOM 62 N LEU A 89 -9.236 -7.194 -2.712 1.00 0.00 N ATOM 63 CA LEU A 89 -7.886 -6.673 -2.760 1.00 0.00 C ATOM 64 C LEU A 89 -7.998 -5.180 -3.052 1.00 0.00 C ATOM 65 O LEU A 89 -7.046 -4.441 -3.100 1.00 0.00 O ATOM 66 CB LEU A 89 -7.060 -7.450 -3.811 1.00 0.00 C ATOM 67 CG LEU A 89 -5.520 -7.446 -3.662 1.00 0.00 C ATOM 68 CD1 LEU A 89 -4.936 -8.588 -4.448 1.00 0.00 C ATOM 69 CD2 LEU A 89 -4.900 -6.157 -4.154 1.00 0.00 C ATOM 0 H LEU A 89 -9.641 -7.407 -3.624 1.00 0.00 H new ATOM 0 HA LEU A 89 -7.355 -6.804 -1.817 1.00 0.00 H new ATOM 0 HB2 LEU A 89 -7.395 -8.487 -3.801 1.00 0.00 H new ATOM 0 HB3 LEU A 89 -7.303 -7.046 -4.794 1.00 0.00 H new ATOM 0 HG LEU A 89 -5.298 -7.548 -2.600 1.00 0.00 H new ATOM 0 HD11 LEU A 89 -3.851 -8.585 -4.343 1.00 0.00 H new ATOM 0 HD12 LEU A 89 -5.334 -9.530 -4.071 1.00 0.00 H new ATOM 0 HD13 LEU A 89 -5.199 -8.478 -5.500 1.00 0.00 H new ATOM 0 HD21 LEU A 89 -3.818 -6.203 -4.029 1.00 0.00 H new ATOM 0 HD22 LEU A 89 -5.138 -6.018 -5.209 1.00 0.00 H new ATOM 0 HD23 LEU A 89 -5.297 -5.320 -3.580 1.00 0.00 H new ATOM 81 N GLN A 90 -9.218 -4.752 -3.182 1.00 0.00 N ATOM 82 CA GLN A 90 -9.518 -3.362 -3.421 1.00 0.00 C ATOM 83 C GLN A 90 -10.137 -2.756 -2.172 1.00 0.00 C ATOM 84 O GLN A 90 -10.560 -1.605 -2.169 1.00 0.00 O ATOM 85 CB GLN A 90 -10.484 -3.207 -4.595 1.00 0.00 C ATOM 86 CG GLN A 90 -10.003 -3.829 -5.894 1.00 0.00 C ATOM 87 CD GLN A 90 -10.896 -3.496 -7.080 1.00 0.00 C ATOM 88 OE1 GLN A 90 -10.431 -3.426 -8.208 1.00 0.00 O ATOM 89 NE2 GLN A 90 -12.167 -3.274 -6.838 1.00 0.00 N ATOM 0 H GLN A 90 -10.039 -5.354 -3.126 1.00 0.00 H new ATOM 0 HA GLN A 90 -8.590 -2.844 -3.666 1.00 0.00 H new ATOM 0 HB2 GLN A 90 -11.440 -3.656 -4.324 1.00 0.00 H new ATOM 0 HB3 GLN A 90 -10.666 -2.145 -4.761 1.00 0.00 H new ATOM 0 HG2 GLN A 90 -8.990 -3.485 -6.102 1.00 0.00 H new ATOM 0 HG3 GLN A 90 -9.954 -4.911 -5.776 1.00 0.00 H new ATOM 0 HE21 GLN A 90 -12.524 -3.340 -5.885 1.00 0.00 H new ATOM 0 HE22 GLN A 90 -12.798 -3.035 -7.603 1.00 0.00 H new ATOM 98 N GLN A 91 -10.197 -3.538 -1.118 1.00 0.00 N ATOM 99 CA GLN A 91 -10.806 -3.106 0.124 1.00 0.00 C ATOM 100 C GLN A 91 -9.892 -3.420 1.261 1.00 0.00 C ATOM 101 O GLN A 91 -9.568 -4.573 1.501 1.00 0.00 O ATOM 102 CB GLN A 91 -12.163 -3.763 0.332 1.00 0.00 C ATOM 103 CG GLN A 91 -13.191 -3.359 -0.701 1.00 0.00 C ATOM 104 CD GLN A 91 -14.540 -3.992 -0.490 1.00 0.00 C ATOM 105 OE1 GLN A 91 -15.267 -4.220 -1.446 1.00 0.00 O ATOM 106 NE2 GLN A 91 -14.892 -4.262 0.745 1.00 0.00 N ATOM 0 H GLN A 91 -9.827 -4.488 -1.095 1.00 0.00 H new ATOM 0 HA GLN A 91 -10.968 -2.029 0.076 1.00 0.00 H new ATOM 0 HB2 GLN A 91 -12.041 -4.846 0.308 1.00 0.00 H new ATOM 0 HB3 GLN A 91 -12.535 -3.505 1.324 1.00 0.00 H new ATOM 0 HG2 GLN A 91 -13.302 -2.275 -0.686 1.00 0.00 H new ATOM 0 HG3 GLN A 91 -12.824 -3.628 -1.691 1.00 0.00 H new ATOM 0 HE21 GLN A 91 -14.254 -4.055 1.514 1.00 0.00 H new ATOM 0 HE22 GLN A 91 -15.803 -4.678 0.936 1.00 0.00 H new ATOM 115 N TRP A 92 -9.462 -2.401 1.935 1.00 0.00 N ATOM 116 CA TRP A 92 -8.495 -2.520 2.992 1.00 0.00 C ATOM 117 C TRP A 92 -8.965 -1.741 4.202 1.00 0.00 C ATOM 118 O TRP A 92 -9.930 -0.956 4.106 1.00 0.00 O ATOM 119 CB TRP A 92 -7.137 -1.999 2.530 1.00 0.00 C ATOM 120 CG TRP A 92 -6.557 -2.728 1.350 1.00 0.00 C ATOM 121 CD1 TRP A 92 -6.841 -2.507 0.036 1.00 0.00 C ATOM 122 CD2 TRP A 92 -5.579 -3.779 1.374 1.00 0.00 C ATOM 123 NE1 TRP A 92 -6.127 -3.360 -0.749 1.00 0.00 N ATOM 124 CE2 TRP A 92 -5.340 -4.146 0.038 1.00 0.00 C ATOM 125 CE3 TRP A 92 -4.887 -4.446 2.389 1.00 0.00 C ATOM 126 CZ2 TRP A 92 -4.442 -5.146 -0.313 1.00 0.00 C ATOM 127 CZ3 TRP A 92 -3.990 -5.438 2.034 1.00 0.00 C ATOM 128 CH2 TRP A 92 -3.776 -5.775 0.697 1.00 0.00 C ATOM 0 H TRP A 92 -9.775 -1.445 1.767 1.00 0.00 H new ATOM 0 HA TRP A 92 -8.390 -3.572 3.259 1.00 0.00 H new ATOM 0 HB2 TRP A 92 -7.234 -0.943 2.277 1.00 0.00 H new ATOM 0 HB3 TRP A 92 -6.435 -2.064 3.362 1.00 0.00 H new ATOM 0 HD1 TRP A 92 -7.533 -1.763 -0.330 1.00 0.00 H new ATOM 0 HE1 TRP A 92 -6.174 -3.404 -1.767 1.00 0.00 H new ATOM 0 HE3 TRP A 92 -5.049 -4.193 3.426 1.00 0.00 H new ATOM 0 HZ2 TRP A 92 -4.278 -5.415 -1.346 1.00 0.00 H new ATOM 0 HZ3 TRP A 92 -3.445 -5.961 2.806 1.00 0.00 H new ATOM 0 HH2 TRP A 92 -3.066 -6.552 0.456 1.00 0.00 H new ATOM 139 N LYS A 93 -8.356 -1.995 5.336 1.00 0.00 N ATOM 140 CA LYS A 93 -8.666 -1.262 6.542 1.00 0.00 C ATOM 141 C LYS A 93 -7.391 -0.642 7.089 1.00 0.00 C ATOM 142 O LYS A 93 -6.288 -1.134 6.823 1.00 0.00 O ATOM 143 CB LYS A 93 -9.311 -2.169 7.594 1.00 0.00 C ATOM 144 CG LYS A 93 -8.373 -3.187 8.202 1.00 0.00 C ATOM 145 CD LYS A 93 -9.150 -4.174 9.074 1.00 0.00 C ATOM 146 CE LYS A 93 -8.249 -5.190 9.771 1.00 0.00 C ATOM 147 NZ LYS A 93 -7.657 -6.180 8.846 1.00 0.00 N ATOM 0 H LYS A 93 -7.637 -2.710 5.449 1.00 0.00 H new ATOM 0 HA LYS A 93 -9.383 -0.478 6.301 1.00 0.00 H new ATOM 0 HB2 LYS A 93 -9.719 -1.547 8.391 1.00 0.00 H new ATOM 0 HB3 LYS A 93 -10.151 -2.694 7.138 1.00 0.00 H new ATOM 0 HG2 LYS A 93 -7.848 -3.725 7.412 1.00 0.00 H new ATOM 0 HG3 LYS A 93 -7.616 -2.681 8.801 1.00 0.00 H new ATOM 0 HD2 LYS A 93 -9.714 -3.621 9.825 1.00 0.00 H new ATOM 0 HD3 LYS A 93 -9.876 -4.703 8.456 1.00 0.00 H new ATOM 0 HE2 LYS A 93 -7.448 -4.661 10.287 1.00 0.00 H new ATOM 0 HE3 LYS A 93 -8.826 -5.715 10.532 1.00 0.00 H new ATOM 0 HZ1 LYS A 93 -6.884 -6.685 9.326 1.00 0.00 H new ATOM 0 HZ2 LYS A 93 -8.386 -6.861 8.554 1.00 0.00 H new ATOM 0 HZ3 LYS A 93 -7.283 -5.691 8.007 1.00 0.00 H new ATOM 161 N VAL A 94 -7.539 0.435 7.811 1.00 0.00 N ATOM 162 CA VAL A 94 -6.418 1.118 8.426 1.00 0.00 C ATOM 163 C VAL A 94 -5.752 0.209 9.454 1.00 0.00 C ATOM 164 O VAL A 94 -6.423 -0.348 10.325 1.00 0.00 O ATOM 165 CB VAL A 94 -6.868 2.439 9.109 1.00 0.00 C ATOM 166 CG1 VAL A 94 -5.719 3.094 9.855 1.00 0.00 C ATOM 167 CG2 VAL A 94 -7.427 3.399 8.083 1.00 0.00 C ATOM 0 H VAL A 94 -8.443 0.871 7.994 1.00 0.00 H new ATOM 0 HA VAL A 94 -5.704 1.365 7.640 1.00 0.00 H new ATOM 0 HB VAL A 94 -7.647 2.190 9.830 1.00 0.00 H new ATOM 0 HG11 VAL A 94 -6.067 4.016 10.322 1.00 0.00 H new ATOM 0 HG12 VAL A 94 -5.350 2.415 10.624 1.00 0.00 H new ATOM 0 HG13 VAL A 94 -4.914 3.322 9.156 1.00 0.00 H new ATOM 0 HG21 VAL A 94 -7.738 4.319 8.577 1.00 0.00 H new ATOM 0 HG22 VAL A 94 -6.661 3.626 7.342 1.00 0.00 H new ATOM 0 HG23 VAL A 94 -8.286 2.944 7.589 1.00 0.00 H new ATOM 177 N GLY A 95 -4.460 0.049 9.337 1.00 0.00 N ATOM 178 CA GLY A 95 -3.729 -0.765 10.267 1.00 0.00 C ATOM 179 C GLY A 95 -3.486 -2.145 9.728 1.00 0.00 C ATOM 180 O GLY A 95 -3.119 -3.060 10.472 1.00 0.00 O ATOM 0 H GLY A 95 -3.892 0.474 8.604 1.00 0.00 H new ATOM 0 HA2 GLY A 95 -2.775 -0.290 10.494 1.00 0.00 H new ATOM 0 HA3 GLY A 95 -4.282 -0.833 11.204 1.00 0.00 H new ATOM 184 N ASP A 96 -3.727 -2.318 8.452 1.00 0.00 N ATOM 185 CA ASP A 96 -3.492 -3.598 7.821 1.00 0.00 C ATOM 186 C ASP A 96 -2.185 -3.520 7.097 1.00 0.00 C ATOM 187 O ASP A 96 -1.820 -2.454 6.578 1.00 0.00 O ATOM 188 CB ASP A 96 -4.546 -3.910 6.796 1.00 0.00 C ATOM 189 CG ASP A 96 -4.986 -5.347 6.814 1.00 0.00 C ATOM 190 OD1 ASP A 96 -4.148 -6.264 6.887 1.00 0.00 O ATOM 191 OD2 ASP A 96 -6.197 -5.594 6.738 1.00 0.00 O ATOM 0 H ASP A 96 -4.084 -1.593 7.830 1.00 0.00 H new ATOM 0 HA ASP A 96 -3.502 -4.369 8.592 1.00 0.00 H new ATOM 0 HB2 ASP A 96 -5.411 -3.270 6.969 1.00 0.00 H new ATOM 0 HB3 ASP A 96 -4.162 -3.667 5.805 1.00 0.00 H new ATOM 196 N LYS A 97 -1.481 -4.591 7.071 1.00 0.00 N ATOM 197 CA LYS A 97 -0.224 -4.657 6.397 1.00 0.00 C ATOM 198 C LYS A 97 -0.425 -5.100 4.981 1.00 0.00 C ATOM 199 O LYS A 97 -1.249 -5.977 4.708 1.00 0.00 O ATOM 200 CB LYS A 97 0.627 -5.614 7.136 1.00 0.00 C ATOM 201 CG LYS A 97 0.753 -5.192 8.583 1.00 0.00 C ATOM 202 CD LYS A 97 1.362 -6.244 9.424 1.00 0.00 C ATOM 203 CE LYS A 97 2.835 -6.424 9.126 1.00 0.00 C ATOM 204 NZ LYS A 97 3.463 -7.419 10.029 1.00 0.00 N ATOM 0 H LYS A 97 -1.760 -5.463 7.522 1.00 0.00 H new ATOM 0 HA LYS A 97 0.255 -3.678 6.369 1.00 0.00 H new ATOM 0 HB2 LYS A 97 0.198 -6.614 7.077 1.00 0.00 H new ATOM 0 HB3 LYS A 97 1.614 -5.664 6.677 1.00 0.00 H new ATOM 0 HG2 LYS A 97 1.357 -4.287 8.644 1.00 0.00 H new ATOM 0 HG3 LYS A 97 -0.234 -4.944 8.974 1.00 0.00 H new ATOM 0 HD2 LYS A 97 1.233 -5.988 10.476 1.00 0.00 H new ATOM 0 HD3 LYS A 97 0.841 -7.187 9.260 1.00 0.00 H new ATOM 0 HE2 LYS A 97 2.960 -6.743 8.091 1.00 0.00 H new ATOM 0 HE3 LYS A 97 3.346 -5.467 9.229 1.00 0.00 H new ATOM 0 HZ1 LYS A 97 4.471 -7.514 9.793 1.00 0.00 H new ATOM 0 HZ2 LYS A 97 3.366 -7.103 11.015 1.00 0.00 H new ATOM 0 HZ3 LYS A 97 2.992 -8.339 9.913 1.00 0.00 H new ATOM 218 N CYS A 98 0.309 -4.518 4.090 1.00 0.00 N ATOM 219 CA CYS A 98 0.149 -4.789 2.706 1.00 0.00 C ATOM 220 C CYS A 98 1.464 -4.537 1.968 1.00 0.00 C ATOM 221 O CYS A 98 2.534 -4.500 2.575 1.00 0.00 O ATOM 222 CB CYS A 98 -0.973 -3.898 2.154 1.00 0.00 C ATOM 223 SG CYS A 98 -0.678 -2.129 2.360 1.00 0.00 S ATOM 0 H CYS A 98 1.039 -3.839 4.306 1.00 0.00 H new ATOM 0 HA CYS A 98 -0.121 -5.834 2.558 1.00 0.00 H new ATOM 0 HB2 CYS A 98 -1.104 -4.112 1.093 1.00 0.00 H new ATOM 0 HB3 CYS A 98 -1.908 -4.160 2.650 1.00 0.00 H new ATOM 0 HG CYS A 98 0.483 -1.944 2.915 1.00 0.00 H new ATOM 229 N SER A 99 1.380 -4.422 0.688 1.00 0.00 N ATOM 230 CA SER A 99 2.503 -4.085 -0.137 1.00 0.00 C ATOM 231 C SER A 99 2.118 -2.979 -1.078 1.00 0.00 C ATOM 232 O SER A 99 0.954 -2.882 -1.494 1.00 0.00 O ATOM 233 CB SER A 99 2.980 -5.296 -0.903 1.00 0.00 C ATOM 234 OG SER A 99 3.464 -6.277 -0.030 1.00 0.00 O ATOM 0 H SER A 99 0.513 -4.561 0.168 1.00 0.00 H new ATOM 0 HA SER A 99 3.323 -3.744 0.495 1.00 0.00 H new ATOM 0 HB2 SER A 99 2.161 -5.703 -1.496 1.00 0.00 H new ATOM 0 HB3 SER A 99 3.765 -5.005 -1.601 1.00 0.00 H new ATOM 0 HG SER A 99 3.151 -7.158 -0.322 1.00 0.00 H new ATOM 240 N ALA A 100 3.061 -2.148 -1.391 1.00 0.00 N ATOM 241 CA ALA A 100 2.838 -1.036 -2.253 1.00 0.00 C ATOM 242 C ALA A 100 3.991 -0.890 -3.212 1.00 0.00 C ATOM 243 O ALA A 100 5.080 -1.448 -2.986 1.00 0.00 O ATOM 244 CB ALA A 100 2.657 0.229 -1.439 1.00 0.00 C ATOM 0 H ALA A 100 4.019 -2.226 -1.050 1.00 0.00 H new ATOM 0 HA ALA A 100 1.928 -1.208 -2.827 1.00 0.00 H new ATOM 0 HB1 ALA A 100 2.487 1.072 -2.109 1.00 0.00 H new ATOM 0 HB2 ALA A 100 1.800 0.115 -0.775 1.00 0.00 H new ATOM 0 HB3 ALA A 100 3.553 0.412 -0.846 1.00 0.00 H new ATOM 250 N ILE A 101 3.745 -0.194 -4.281 1.00 0.00 N ATOM 251 CA ILE A 101 4.736 0.081 -5.276 1.00 0.00 C ATOM 252 C ILE A 101 5.379 1.399 -4.969 1.00 0.00 C ATOM 253 O ILE A 101 4.738 2.456 -5.084 1.00 0.00 O ATOM 254 CB ILE A 101 4.114 0.113 -6.696 1.00 0.00 C ATOM 255 CG1 ILE A 101 3.709 -1.289 -7.129 1.00 0.00 C ATOM 256 CG2 ILE A 101 5.063 0.746 -7.725 1.00 0.00 C ATOM 257 CD1 ILE A 101 4.865 -2.174 -7.528 1.00 0.00 C ATOM 0 H ILE A 101 2.830 0.207 -4.490 1.00 0.00 H new ATOM 0 HA ILE A 101 5.482 -0.714 -5.259 1.00 0.00 H new ATOM 0 HB ILE A 101 3.223 0.740 -6.650 1.00 0.00 H new ATOM 0 HG12 ILE A 101 3.166 -1.766 -6.313 1.00 0.00 H new ATOM 0 HG13 ILE A 101 3.019 -1.212 -7.969 1.00 0.00 H new ATOM 0 HG21 ILE A 101 4.587 0.748 -8.706 1.00 0.00 H new ATOM 0 HG22 ILE A 101 5.289 1.770 -7.429 1.00 0.00 H new ATOM 0 HG23 ILE A 101 5.987 0.169 -7.771 1.00 0.00 H new ATOM 0 HD11 ILE A 101 4.489 -3.154 -7.822 1.00 0.00 H new ATOM 0 HD12 ILE A 101 5.396 -1.723 -8.366 1.00 0.00 H new ATOM 0 HD13 ILE A 101 5.546 -2.285 -6.684 1.00 0.00 H new ATOM 269 N TRP A 102 6.620 1.345 -4.576 1.00 0.00 N ATOM 270 CA TRP A 102 7.350 2.539 -4.257 1.00 0.00 C ATOM 271 C TRP A 102 7.539 3.290 -5.509 1.00 0.00 C ATOM 272 O TRP A 102 8.121 2.776 -6.443 1.00 0.00 O ATOM 273 CB TRP A 102 8.705 2.215 -3.659 1.00 0.00 C ATOM 274 CG TRP A 102 9.314 3.357 -2.899 1.00 0.00 C ATOM 275 CD1 TRP A 102 8.646 4.349 -2.241 1.00 0.00 C ATOM 276 CD2 TRP A 102 10.704 3.606 -2.687 1.00 0.00 C ATOM 277 NE1 TRP A 102 9.535 5.180 -1.619 1.00 0.00 N ATOM 278 CE2 TRP A 102 10.804 4.749 -1.877 1.00 0.00 C ATOM 279 CE3 TRP A 102 11.868 2.975 -3.097 1.00 0.00 C ATOM 280 CZ2 TRP A 102 12.024 5.270 -1.473 1.00 0.00 C ATOM 281 CZ3 TRP A 102 13.076 3.494 -2.701 1.00 0.00 C ATOM 282 CH2 TRP A 102 13.143 4.633 -1.893 1.00 0.00 C ATOM 0 H TRP A 102 7.150 0.480 -4.468 1.00 0.00 H new ATOM 0 HA TRP A 102 6.793 3.120 -3.522 1.00 0.00 H new ATOM 0 HB2 TRP A 102 8.603 1.359 -2.992 1.00 0.00 H new ATOM 0 HB3 TRP A 102 9.384 1.918 -4.458 1.00 0.00 H new ATOM 0 HD1 TRP A 102 7.572 4.461 -2.216 1.00 0.00 H new ATOM 0 HE1 TRP A 102 9.289 5.992 -1.053 1.00 0.00 H new ATOM 0 HE3 TRP A 102 11.826 2.091 -3.717 1.00 0.00 H new ATOM 0 HZ2 TRP A 102 12.080 6.149 -0.848 1.00 0.00 H new ATOM 0 HZ3 TRP A 102 13.990 3.014 -3.019 1.00 0.00 H new ATOM 0 HH2 TRP A 102 14.109 5.014 -1.597 1.00 0.00 H new ATOM 293 N SER A 103 7.074 4.492 -5.524 1.00 0.00 N ATOM 294 CA SER A 103 7.129 5.331 -6.676 1.00 0.00 C ATOM 295 C SER A 103 8.547 5.586 -7.139 1.00 0.00 C ATOM 296 O SER A 103 8.805 5.798 -8.317 1.00 0.00 O ATOM 297 CB SER A 103 6.489 6.616 -6.314 1.00 0.00 C ATOM 298 OG SER A 103 5.118 6.439 -6.035 1.00 0.00 O ATOM 0 H SER A 103 6.633 4.932 -4.716 1.00 0.00 H new ATOM 0 HA SER A 103 6.614 4.836 -7.500 1.00 0.00 H new ATOM 0 HB2 SER A 103 6.988 7.042 -5.444 1.00 0.00 H new ATOM 0 HB3 SER A 103 6.608 7.328 -7.131 1.00 0.00 H new ATOM 0 HG SER A 103 4.865 6.999 -5.272 1.00 0.00 H new ATOM 304 N GLU A 104 9.450 5.483 -6.218 1.00 0.00 N ATOM 305 CA GLU A 104 10.805 5.840 -6.437 1.00 0.00 C ATOM 306 C GLU A 104 11.573 4.753 -7.160 1.00 0.00 C ATOM 307 O GLU A 104 12.348 5.039 -8.065 1.00 0.00 O ATOM 308 CB GLU A 104 11.381 6.123 -5.099 1.00 0.00 C ATOM 309 CG GLU A 104 10.536 7.130 -4.349 1.00 0.00 C ATOM 310 CD GLU A 104 10.712 8.543 -4.816 1.00 0.00 C ATOM 311 OE1 GLU A 104 10.053 8.944 -5.800 1.00 0.00 O ATOM 312 OE2 GLU A 104 11.490 9.292 -4.197 1.00 0.00 O ATOM 0 H GLU A 104 9.258 5.141 -5.276 1.00 0.00 H new ATOM 0 HA GLU A 104 10.873 6.713 -7.086 1.00 0.00 H new ATOM 0 HB2 GLU A 104 11.448 5.199 -4.525 1.00 0.00 H new ATOM 0 HB3 GLU A 104 12.396 6.504 -5.209 1.00 0.00 H new ATOM 0 HG2 GLU A 104 9.486 6.854 -4.448 1.00 0.00 H new ATOM 0 HG3 GLU A 104 10.781 7.076 -3.288 1.00 0.00 H new ATOM 319 N ASP A 105 11.350 3.505 -6.789 1.00 0.00 N ATOM 320 CA ASP A 105 12.096 2.425 -7.431 1.00 0.00 C ATOM 321 C ASP A 105 11.177 1.633 -8.359 1.00 0.00 C ATOM 322 O ASP A 105 11.630 0.883 -9.213 1.00 0.00 O ATOM 323 CB ASP A 105 12.701 1.504 -6.362 1.00 0.00 C ATOM 324 CG ASP A 105 13.798 0.588 -6.884 1.00 0.00 C ATOM 325 OD1 ASP A 105 13.507 -0.517 -7.349 1.00 0.00 O ATOM 326 OD2 ASP A 105 14.997 0.955 -6.769 1.00 0.00 O ATOM 0 H ASP A 105 10.684 3.215 -6.073 1.00 0.00 H new ATOM 0 HA ASP A 105 12.904 2.852 -8.025 1.00 0.00 H new ATOM 0 HB2 ASP A 105 13.106 2.116 -5.556 1.00 0.00 H new ATOM 0 HB3 ASP A 105 11.907 0.894 -5.931 1.00 0.00 H new ATOM 331 N GLY A 106 9.873 1.823 -8.184 1.00 0.00 N ATOM 332 CA GLY A 106 8.862 1.173 -9.022 1.00 0.00 C ATOM 333 C GLY A 106 8.566 -0.238 -8.566 1.00 0.00 C ATOM 334 O GLY A 106 7.699 -0.924 -9.117 1.00 0.00 O ATOM 0 H GLY A 106 9.485 2.429 -7.461 1.00 0.00 H new ATOM 0 HA2 GLY A 106 7.944 1.760 -9.002 1.00 0.00 H new ATOM 0 HA3 GLY A 106 9.206 1.155 -10.056 1.00 0.00 H new ATOM 338 N CYS A 107 9.296 -0.664 -7.585 1.00 0.00 N ATOM 339 CA CYS A 107 9.232 -1.974 -7.067 1.00 0.00 C ATOM 340 C CYS A 107 8.244 -2.131 -5.923 1.00 0.00 C ATOM 341 O CYS A 107 7.783 -1.141 -5.338 1.00 0.00 O ATOM 342 CB CYS A 107 10.609 -2.366 -6.672 1.00 0.00 C ATOM 343 SG CYS A 107 11.696 -2.650 -8.070 1.00 0.00 S ATOM 0 H CYS A 107 9.979 -0.075 -7.109 1.00 0.00 H new ATOM 0 HA CYS A 107 8.849 -2.641 -7.840 1.00 0.00 H new ATOM 0 HB2 CYS A 107 11.035 -1.585 -6.043 1.00 0.00 H new ATOM 0 HB3 CYS A 107 10.562 -3.272 -6.068 1.00 0.00 H new ATOM 0 HG CYS A 107 12.653 -1.770 -8.061 1.00 0.00 H new ATOM 349 N ILE A 108 7.953 -3.377 -5.600 1.00 0.00 N ATOM 350 CA ILE A 108 7.035 -3.737 -4.547 1.00 0.00 C ATOM 351 C ILE A 108 7.764 -3.853 -3.235 1.00 0.00 C ATOM 352 O ILE A 108 8.820 -4.494 -3.152 1.00 0.00 O ATOM 353 CB ILE A 108 6.401 -5.102 -4.818 1.00 0.00 C ATOM 354 CG1 ILE A 108 5.892 -5.157 -6.242 1.00 0.00 C ATOM 355 CG2 ILE A 108 5.270 -5.328 -3.826 1.00 0.00 C ATOM 356 CD1 ILE A 108 5.251 -6.470 -6.640 1.00 0.00 C ATOM 0 H ILE A 108 8.360 -4.182 -6.076 1.00 0.00 H new ATOM 0 HA ILE A 108 6.272 -2.959 -4.509 1.00 0.00 H new ATOM 0 HB ILE A 108 7.143 -5.891 -4.693 1.00 0.00 H new ATOM 0 HG12 ILE A 108 5.165 -4.357 -6.384 1.00 0.00 H new ATOM 0 HG13 ILE A 108 6.723 -4.956 -6.918 1.00 0.00 H new ATOM 0 HG21 ILE A 108 4.812 -6.299 -4.012 1.00 0.00 H new ATOM 0 HG22 ILE A 108 5.666 -5.302 -2.811 1.00 0.00 H new ATOM 0 HG23 ILE A 108 4.521 -4.545 -3.944 1.00 0.00 H new ATOM 0 HD11 ILE A 108 4.918 -6.413 -7.676 1.00 0.00 H new ATOM 0 HD12 ILE A 108 5.978 -7.276 -6.536 1.00 0.00 H new ATOM 0 HD13 ILE A 108 4.395 -6.668 -5.994 1.00 0.00 H new ATOM 368 N TYR A 109 7.212 -3.251 -2.228 1.00 0.00 N ATOM 369 CA TYR A 109 7.760 -3.295 -0.901 1.00 0.00 C ATOM 370 C TYR A 109 6.631 -3.384 0.112 1.00 0.00 C ATOM 371 O TYR A 109 5.513 -2.931 -0.173 1.00 0.00 O ATOM 372 CB TYR A 109 8.588 -2.057 -0.634 1.00 0.00 C ATOM 373 CG TYR A 109 9.830 -1.929 -1.485 1.00 0.00 C ATOM 374 CD1 TYR A 109 11.023 -2.469 -1.056 1.00 0.00 C ATOM 375 CD2 TYR A 109 9.812 -1.241 -2.694 1.00 0.00 C ATOM 376 CE1 TYR A 109 12.171 -2.329 -1.789 1.00 0.00 C ATOM 377 CE2 TYR A 109 10.964 -1.101 -3.442 1.00 0.00 C ATOM 378 CZ TYR A 109 12.145 -1.643 -2.979 1.00 0.00 C ATOM 379 OH TYR A 109 13.314 -1.490 -3.705 1.00 0.00 O ATOM 0 H TYR A 109 6.354 -2.705 -2.302 1.00 0.00 H new ATOM 0 HA TYR A 109 8.401 -4.172 -0.811 1.00 0.00 H new ATOM 0 HB2 TYR A 109 7.963 -1.178 -0.793 1.00 0.00 H new ATOM 0 HB3 TYR A 109 8.882 -2.053 0.416 1.00 0.00 H new ATOM 0 HD1 TYR A 109 11.053 -3.013 -0.124 1.00 0.00 H new ATOM 0 HD2 TYR A 109 8.887 -0.812 -3.051 1.00 0.00 H new ATOM 0 HE1 TYR A 109 13.096 -2.757 -1.432 1.00 0.00 H new ATOM 0 HE2 TYR A 109 10.941 -0.571 -4.383 1.00 0.00 H new ATOM 0 HH TYR A 109 13.127 -0.982 -4.522 1.00 0.00 H new ATOM 389 N PRO A 110 6.883 -3.989 1.286 1.00 0.00 N ATOM 390 CA PRO A 110 5.877 -4.103 2.342 1.00 0.00 C ATOM 391 C PRO A 110 5.575 -2.748 2.980 1.00 0.00 C ATOM 392 O PRO A 110 6.487 -1.985 3.330 1.00 0.00 O ATOM 393 CB PRO A 110 6.526 -5.036 3.366 1.00 0.00 C ATOM 394 CG PRO A 110 7.990 -4.889 3.142 1.00 0.00 C ATOM 395 CD PRO A 110 8.168 -4.602 1.681 1.00 0.00 C ATOM 0 HA PRO A 110 4.925 -4.473 1.962 1.00 0.00 H new ATOM 0 HB2 PRO A 110 6.252 -4.758 4.384 1.00 0.00 H new ATOM 0 HB3 PRO A 110 6.205 -6.067 3.220 1.00 0.00 H new ATOM 0 HG2 PRO A 110 8.396 -4.080 3.749 1.00 0.00 H new ATOM 0 HG3 PRO A 110 8.520 -5.798 3.427 1.00 0.00 H new ATOM 0 HD2 PRO A 110 9.005 -3.926 1.505 1.00 0.00 H new ATOM 0 HD3 PRO A 110 8.368 -5.512 1.116 1.00 0.00 H new ATOM 403 N ALA A 111 4.323 -2.459 3.135 1.00 0.00 N ATOM 404 CA ALA A 111 3.893 -1.218 3.687 1.00 0.00 C ATOM 405 C ALA A 111 2.616 -1.417 4.456 1.00 0.00 C ATOM 406 O ALA A 111 1.791 -2.226 4.088 1.00 0.00 O ATOM 407 CB ALA A 111 3.695 -0.198 2.597 1.00 0.00 C ATOM 0 H ALA A 111 3.562 -3.087 2.878 1.00 0.00 H new ATOM 0 HA ALA A 111 4.661 -0.849 4.366 1.00 0.00 H new ATOM 0 HB1 ALA A 111 3.367 0.744 3.036 1.00 0.00 H new ATOM 0 HB2 ALA A 111 4.635 -0.044 2.068 1.00 0.00 H new ATOM 0 HB3 ALA A 111 2.939 -0.555 1.897 1.00 0.00 H new ATOM 413 N THR A 112 2.439 -0.681 5.483 1.00 0.00 N ATOM 414 CA THR A 112 1.285 -0.844 6.314 1.00 0.00 C ATOM 415 C THR A 112 0.402 0.383 6.193 1.00 0.00 C ATOM 416 O THR A 112 0.894 1.508 6.198 1.00 0.00 O ATOM 417 CB THR A 112 1.701 -1.084 7.777 1.00 0.00 C ATOM 418 OG1 THR A 112 2.679 -2.136 7.810 1.00 0.00 O ATOM 419 CG2 THR A 112 0.508 -1.525 8.612 1.00 0.00 C ATOM 0 H THR A 112 3.081 0.053 5.782 1.00 0.00 H new ATOM 0 HA THR A 112 0.722 -1.717 5.984 1.00 0.00 H new ATOM 0 HB THR A 112 2.102 -0.155 8.183 1.00 0.00 H new ATOM 0 HG1 THR A 112 3.533 -1.799 7.468 1.00 0.00 H new ATOM 0 HG21 THR A 112 0.825 -1.689 9.642 1.00 0.00 H new ATOM 0 HG22 THR A 112 -0.259 -0.751 8.587 1.00 0.00 H new ATOM 0 HG23 THR A 112 0.102 -2.451 8.206 1.00 0.00 H new ATOM 427 N ILE A 113 -0.874 0.162 6.065 1.00 0.00 N ATOM 428 CA ILE A 113 -1.844 1.220 5.877 1.00 0.00 C ATOM 429 C ILE A 113 -1.941 2.086 7.126 1.00 0.00 C ATOM 430 O ILE A 113 -2.217 1.584 8.223 1.00 0.00 O ATOM 431 CB ILE A 113 -3.213 0.611 5.573 1.00 0.00 C ATOM 432 CG1 ILE A 113 -3.086 -0.328 4.382 1.00 0.00 C ATOM 433 CG2 ILE A 113 -4.228 1.709 5.279 1.00 0.00 C ATOM 434 CD1 ILE A 113 -4.255 -1.238 4.213 1.00 0.00 C ATOM 0 H ILE A 113 -1.284 -0.772 6.088 1.00 0.00 H new ATOM 0 HA ILE A 113 -1.523 1.843 5.042 1.00 0.00 H new ATOM 0 HB ILE A 113 -3.562 0.051 6.440 1.00 0.00 H new ATOM 0 HG12 ILE A 113 -2.962 0.264 3.475 1.00 0.00 H new ATOM 0 HG13 ILE A 113 -2.183 -0.927 4.497 1.00 0.00 H new ATOM 0 HG21 ILE A 113 -5.198 1.260 5.064 1.00 0.00 H new ATOM 0 HG22 ILE A 113 -4.315 2.365 6.145 1.00 0.00 H new ATOM 0 HG23 ILE A 113 -3.898 2.288 4.417 1.00 0.00 H new ATOM 0 HD11 ILE A 113 -4.095 -1.878 3.345 1.00 0.00 H new ATOM 0 HD12 ILE A 113 -4.367 -1.856 5.104 1.00 0.00 H new ATOM 0 HD13 ILE A 113 -5.158 -0.646 4.066 1.00 0.00 H new ATOM 446 N ALA A 114 -1.701 3.357 6.958 1.00 0.00 N ATOM 447 CA ALA A 114 -1.756 4.305 8.044 1.00 0.00 C ATOM 448 C ALA A 114 -3.097 5.018 8.056 1.00 0.00 C ATOM 449 O ALA A 114 -3.641 5.301 9.111 1.00 0.00 O ATOM 450 CB ALA A 114 -0.624 5.308 7.930 1.00 0.00 C ATOM 0 H ALA A 114 -1.459 3.771 6.057 1.00 0.00 H new ATOM 0 HA ALA A 114 -1.643 3.763 8.983 1.00 0.00 H new ATOM 0 HB1 ALA A 114 -0.680 6.016 8.757 1.00 0.00 H new ATOM 0 HB2 ALA A 114 0.331 4.784 7.965 1.00 0.00 H new ATOM 0 HB3 ALA A 114 -0.708 5.846 6.986 1.00 0.00 H new ATOM 456 N SER A 115 -3.627 5.299 6.886 1.00 0.00 N ATOM 457 CA SER A 115 -4.904 5.964 6.765 1.00 0.00 C ATOM 458 C SER A 115 -5.492 5.688 5.387 1.00 0.00 C ATOM 459 O SER A 115 -4.745 5.437 4.452 1.00 0.00 O ATOM 460 CB SER A 115 -4.712 7.470 7.001 1.00 0.00 C ATOM 461 OG SER A 115 -3.659 7.996 6.185 1.00 0.00 O ATOM 0 H SER A 115 -3.186 5.073 5.994 1.00 0.00 H new ATOM 0 HA SER A 115 -5.601 5.585 7.512 1.00 0.00 H new ATOM 0 HB2 SER A 115 -5.641 7.996 6.782 1.00 0.00 H new ATOM 0 HB3 SER A 115 -4.484 7.649 8.052 1.00 0.00 H new ATOM 0 HG SER A 115 -3.561 8.956 6.356 1.00 0.00 H new ATOM 467 N ILE A 116 -6.809 5.688 5.278 1.00 0.00 N ATOM 468 CA ILE A 116 -7.488 5.449 4.017 1.00 0.00 C ATOM 469 C ILE A 116 -8.436 6.593 3.727 1.00 0.00 C ATOM 470 O ILE A 116 -9.185 7.029 4.610 1.00 0.00 O ATOM 471 CB ILE A 116 -8.314 4.134 4.048 1.00 0.00 C ATOM 472 CG1 ILE A 116 -7.424 2.944 4.378 1.00 0.00 C ATOM 473 CG2 ILE A 116 -9.033 3.908 2.714 1.00 0.00 C ATOM 474 CD1 ILE A 116 -8.162 1.646 4.466 1.00 0.00 C ATOM 0 H ILE A 116 -7.439 5.854 6.063 1.00 0.00 H new ATOM 0 HA ILE A 116 -6.723 5.367 3.245 1.00 0.00 H new ATOM 0 HB ILE A 116 -9.066 4.230 4.831 1.00 0.00 H new ATOM 0 HG12 ILE A 116 -6.648 2.860 3.617 1.00 0.00 H new ATOM 0 HG13 ILE A 116 -6.921 3.130 5.327 1.00 0.00 H new ATOM 0 HG21 ILE A 116 -9.604 2.981 2.761 1.00 0.00 H new ATOM 0 HG22 ILE A 116 -9.708 4.741 2.519 1.00 0.00 H new ATOM 0 HG23 ILE A 116 -8.298 3.841 1.912 1.00 0.00 H new ATOM 0 HD11 ILE A 116 -7.462 0.845 4.704 1.00 0.00 H new ATOM 0 HD12 ILE A 116 -8.919 1.710 5.247 1.00 0.00 H new ATOM 0 HD13 ILE A 116 -8.643 1.435 3.511 1.00 0.00 H new ATOM 486 N ASP A 117 -8.381 7.093 2.536 1.00 0.00 N ATOM 487 CA ASP A 117 -9.275 8.124 2.086 1.00 0.00 C ATOM 488 C ASP A 117 -10.220 7.484 1.099 1.00 0.00 C ATOM 489 O ASP A 117 -9.840 7.193 -0.042 1.00 0.00 O ATOM 490 CB ASP A 117 -8.512 9.265 1.416 1.00 0.00 C ATOM 491 CG ASP A 117 -9.403 10.433 1.039 1.00 0.00 C ATOM 492 OD1 ASP A 117 -10.267 10.284 0.164 1.00 0.00 O ATOM 493 OD2 ASP A 117 -9.224 11.541 1.606 1.00 0.00 O ATOM 0 H ASP A 117 -7.705 6.796 1.833 1.00 0.00 H new ATOM 0 HA ASP A 117 -9.813 8.552 2.932 1.00 0.00 H new ATOM 0 HB2 ASP A 117 -7.729 9.615 2.088 1.00 0.00 H new ATOM 0 HB3 ASP A 117 -8.018 8.888 0.520 1.00 0.00 H new ATOM 498 N PHE A 118 -11.428 7.238 1.527 1.00 0.00 N ATOM 499 CA PHE A 118 -12.403 6.540 0.704 1.00 0.00 C ATOM 500 C PHE A 118 -12.928 7.401 -0.430 1.00 0.00 C ATOM 501 O PHE A 118 -13.478 6.890 -1.404 1.00 0.00 O ATOM 502 CB PHE A 118 -13.550 6.003 1.550 1.00 0.00 C ATOM 503 CG PHE A 118 -13.134 4.936 2.530 1.00 0.00 C ATOM 504 CD1 PHE A 118 -12.813 3.664 2.091 1.00 0.00 C ATOM 505 CD2 PHE A 118 -13.054 5.210 3.885 1.00 0.00 C ATOM 506 CE1 PHE A 118 -12.424 2.684 2.984 1.00 0.00 C ATOM 507 CE2 PHE A 118 -12.663 4.236 4.782 1.00 0.00 C ATOM 508 CZ PHE A 118 -12.348 2.971 4.333 1.00 0.00 C ATOM 0 H PHE A 118 -11.772 7.510 2.448 1.00 0.00 H new ATOM 0 HA PHE A 118 -11.883 5.697 0.250 1.00 0.00 H new ATOM 0 HB2 PHE A 118 -14.004 6.829 2.097 1.00 0.00 H new ATOM 0 HB3 PHE A 118 -14.318 5.598 0.890 1.00 0.00 H new ATOM 0 HD1 PHE A 118 -12.867 3.434 1.037 1.00 0.00 H new ATOM 0 HD2 PHE A 118 -13.301 6.198 4.245 1.00 0.00 H new ATOM 0 HE1 PHE A 118 -12.180 1.694 2.627 1.00 0.00 H new ATOM 0 HE2 PHE A 118 -12.604 4.465 5.836 1.00 0.00 H new ATOM 0 HZ PHE A 118 -12.043 2.208 5.033 1.00 0.00 H new ATOM 518 N LYS A 119 -12.726 8.690 -0.322 1.00 0.00 N ATOM 519 CA LYS A 119 -13.170 9.618 -1.346 1.00 0.00 C ATOM 520 C LYS A 119 -12.279 9.509 -2.572 1.00 0.00 C ATOM 521 O LYS A 119 -12.738 9.647 -3.708 1.00 0.00 O ATOM 522 CB LYS A 119 -13.198 11.081 -0.860 1.00 0.00 C ATOM 523 CG LYS A 119 -14.222 11.429 0.235 1.00 0.00 C ATOM 524 CD LYS A 119 -13.879 10.875 1.622 1.00 0.00 C ATOM 525 CE LYS A 119 -12.543 11.405 2.144 1.00 0.00 C ATOM 526 NZ LYS A 119 -12.470 12.884 2.158 1.00 0.00 N ATOM 0 H LYS A 119 -12.254 9.129 0.469 1.00 0.00 H new ATOM 0 HA LYS A 119 -14.194 9.340 -1.596 1.00 0.00 H new ATOM 0 HB2 LYS A 119 -12.205 11.335 -0.489 1.00 0.00 H new ATOM 0 HB3 LYS A 119 -13.390 11.721 -1.721 1.00 0.00 H new ATOM 0 HG2 LYS A 119 -14.310 12.513 0.302 1.00 0.00 H new ATOM 0 HG3 LYS A 119 -15.199 11.048 -0.064 1.00 0.00 H new ATOM 0 HD2 LYS A 119 -14.671 11.139 2.323 1.00 0.00 H new ATOM 0 HD3 LYS A 119 -13.843 9.786 1.577 1.00 0.00 H new ATOM 0 HE2 LYS A 119 -12.380 11.030 3.154 1.00 0.00 H new ATOM 0 HE3 LYS A 119 -11.736 11.013 1.524 1.00 0.00 H new ATOM 0 HZ1 LYS A 119 -11.593 13.184 2.630 1.00 0.00 H new ATOM 0 HZ2 LYS A 119 -12.477 13.241 1.181 1.00 0.00 H new ATOM 0 HZ3 LYS A 119 -13.288 13.267 2.673 1.00 0.00 H new ATOM 540 N ARG A 120 -11.004 9.285 -2.342 1.00 0.00 N ATOM 541 CA ARG A 120 -10.051 9.152 -3.437 1.00 0.00 C ATOM 542 C ARG A 120 -9.787 7.684 -3.734 1.00 0.00 C ATOM 543 O ARG A 120 -9.141 7.347 -4.739 1.00 0.00 O ATOM 544 CB ARG A 120 -8.721 9.798 -3.041 1.00 0.00 C ATOM 545 CG ARG A 120 -8.826 11.225 -2.546 1.00 0.00 C ATOM 546 CD ARG A 120 -9.362 12.156 -3.597 1.00 0.00 C ATOM 547 NE ARG A 120 -9.508 13.506 -3.073 1.00 0.00 N ATOM 548 CZ ARG A 120 -9.534 14.609 -3.810 1.00 0.00 C ATOM 549 NH1 ARG A 120 -9.415 14.534 -5.135 1.00 0.00 N ATOM 550 NH2 ARG A 120 -9.677 15.790 -3.220 1.00 0.00 N ATOM 0 H ARG A 120 -10.598 9.190 -1.411 1.00 0.00 H new ATOM 0 HA ARG A 120 -10.471 9.640 -4.317 1.00 0.00 H new ATOM 0 HB2 ARG A 120 -8.258 9.192 -2.262 1.00 0.00 H new ATOM 0 HB3 ARG A 120 -8.053 9.776 -3.902 1.00 0.00 H new ATOM 0 HG2 ARG A 120 -9.475 11.257 -1.671 1.00 0.00 H new ATOM 0 HG3 ARG A 120 -7.843 11.569 -2.226 1.00 0.00 H new ATOM 0 HD2 ARG A 120 -8.691 12.166 -4.456 1.00 0.00 H new ATOM 0 HD3 ARG A 120 -10.327 11.793 -3.951 1.00 0.00 H new ATOM 0 HE ARG A 120 -9.597 13.612 -2.062 1.00 0.00 H new ATOM 0 HH11 ARG A 120 -9.303 13.626 -5.586 1.00 0.00 H new ATOM 0 HH12 ARG A 120 -9.436 15.384 -5.698 1.00 0.00 H new ATOM 0 HH21 ARG A 120 -9.766 15.846 -2.205 1.00 0.00 H new ATOM 0 HH22 ARG A 120 -9.698 16.641 -3.781 1.00 0.00 H new ATOM 564 N GLU A 121 -10.315 6.815 -2.865 1.00 0.00 N ATOM 565 CA GLU A 121 -10.064 5.367 -2.899 1.00 0.00 C ATOM 566 C GLU A 121 -8.566 5.093 -2.742 1.00 0.00 C ATOM 567 O GLU A 121 -8.025 4.107 -3.253 1.00 0.00 O ATOM 568 CB GLU A 121 -10.624 4.702 -4.164 1.00 0.00 C ATOM 569 CG GLU A 121 -12.139 4.720 -4.259 1.00 0.00 C ATOM 570 CD GLU A 121 -12.655 3.994 -5.478 1.00 0.00 C ATOM 571 OE1 GLU A 121 -12.523 2.757 -5.554 1.00 0.00 O ATOM 572 OE2 GLU A 121 -13.244 4.639 -6.377 1.00 0.00 O ATOM 0 H GLU A 121 -10.937 7.100 -2.108 1.00 0.00 H new ATOM 0 HA GLU A 121 -10.596 4.919 -2.060 1.00 0.00 H new ATOM 0 HB2 GLU A 121 -10.211 5.205 -5.038 1.00 0.00 H new ATOM 0 HB3 GLU A 121 -10.281 3.668 -4.199 1.00 0.00 H new ATOM 0 HG2 GLU A 121 -12.561 4.263 -3.364 1.00 0.00 H new ATOM 0 HG3 GLU A 121 -12.485 5.753 -4.283 1.00 0.00 H new ATOM 579 N THR A 122 -7.910 5.942 -1.999 1.00 0.00 N ATOM 580 CA THR A 122 -6.510 5.806 -1.784 1.00 0.00 C ATOM 581 C THR A 122 -6.231 5.657 -0.311 1.00 0.00 C ATOM 582 O THR A 122 -7.115 5.852 0.516 1.00 0.00 O ATOM 583 CB THR A 122 -5.716 7.010 -2.339 1.00 0.00 C ATOM 584 OG1 THR A 122 -6.173 8.242 -1.743 1.00 0.00 O ATOM 585 CG2 THR A 122 -5.834 7.108 -3.849 1.00 0.00 C ATOM 0 H THR A 122 -8.336 6.742 -1.531 1.00 0.00 H new ATOM 0 HA THR A 122 -6.183 4.915 -2.321 1.00 0.00 H new ATOM 0 HB THR A 122 -4.669 6.849 -2.082 1.00 0.00 H new ATOM 0 HG1 THR A 122 -5.657 8.992 -2.106 1.00 0.00 H new ATOM 0 HG21 THR A 122 -5.263 7.966 -4.204 1.00 0.00 H new ATOM 0 HG22 THR A 122 -5.442 6.198 -4.304 1.00 0.00 H new ATOM 0 HG23 THR A 122 -6.881 7.230 -4.125 1.00 0.00 H new ATOM 593 N CYS A 123 -5.043 5.286 0.009 1.00 0.00 N ATOM 594 CA CYS A 123 -4.624 5.162 1.360 1.00 0.00 C ATOM 595 C CYS A 123 -3.159 5.478 1.466 1.00 0.00 C ATOM 596 O CYS A 123 -2.404 5.284 0.507 1.00 0.00 O ATOM 597 CB CYS A 123 -4.896 3.756 1.852 1.00 0.00 C ATOM 598 SG CYS A 123 -4.226 2.481 0.777 1.00 0.00 S ATOM 0 H CYS A 123 -4.321 5.056 -0.673 1.00 0.00 H new ATOM 0 HA CYS A 123 -5.181 5.865 1.979 1.00 0.00 H new ATOM 0 HB2 CYS A 123 -4.472 3.640 2.849 1.00 0.00 H new ATOM 0 HB3 CYS A 123 -5.973 3.614 1.945 1.00 0.00 H new ATOM 0 HG CYS A 123 -3.927 2.999 -0.377 1.00 0.00 H new ATOM 604 N VAL A 124 -2.756 5.947 2.597 1.00 0.00 N ATOM 605 CA VAL A 124 -1.384 6.219 2.845 1.00 0.00 C ATOM 606 C VAL A 124 -0.817 5.022 3.547 1.00 0.00 C ATOM 607 O VAL A 124 -1.413 4.518 4.512 1.00 0.00 O ATOM 608 CB VAL A 124 -1.180 7.485 3.718 1.00 0.00 C ATOM 609 CG1 VAL A 124 0.298 7.711 3.996 1.00 0.00 C ATOM 610 CG2 VAL A 124 -1.775 8.706 3.034 1.00 0.00 C ATOM 0 H VAL A 124 -3.375 6.154 3.381 1.00 0.00 H new ATOM 0 HA VAL A 124 -0.880 6.411 1.898 1.00 0.00 H new ATOM 0 HB VAL A 124 -1.694 7.330 4.667 1.00 0.00 H new ATOM 0 HG11 VAL A 124 0.420 8.604 4.610 1.00 0.00 H new ATOM 0 HG12 VAL A 124 0.705 6.849 4.524 1.00 0.00 H new ATOM 0 HG13 VAL A 124 0.829 7.843 3.054 1.00 0.00 H new ATOM 0 HG21 VAL A 124 -1.623 9.585 3.661 1.00 0.00 H new ATOM 0 HG22 VAL A 124 -1.287 8.858 2.071 1.00 0.00 H new ATOM 0 HG23 VAL A 124 -2.843 8.552 2.879 1.00 0.00 H new ATOM 620 N VAL A 125 0.293 4.550 3.074 1.00 0.00 N ATOM 621 CA VAL A 125 0.909 3.403 3.643 1.00 0.00 C ATOM 622 C VAL A 125 2.320 3.755 4.060 1.00 0.00 C ATOM 623 O VAL A 125 2.976 4.603 3.442 1.00 0.00 O ATOM 624 CB VAL A 125 0.946 2.200 2.640 1.00 0.00 C ATOM 625 CG1 VAL A 125 -0.447 1.808 2.163 1.00 0.00 C ATOM 626 CG2 VAL A 125 1.858 2.495 1.456 1.00 0.00 C ATOM 0 H VAL A 125 0.795 4.952 2.282 1.00 0.00 H new ATOM 0 HA VAL A 125 0.319 3.096 4.506 1.00 0.00 H new ATOM 0 HB VAL A 125 1.356 1.349 3.184 1.00 0.00 H new ATOM 0 HG11 VAL A 125 -0.372 0.970 1.470 1.00 0.00 H new ATOM 0 HG12 VAL A 125 -1.056 1.517 3.019 1.00 0.00 H new ATOM 0 HG13 VAL A 125 -0.911 2.656 1.659 1.00 0.00 H new ATOM 0 HG21 VAL A 125 1.862 1.641 0.778 1.00 0.00 H new ATOM 0 HG22 VAL A 125 1.494 3.376 0.927 1.00 0.00 H new ATOM 0 HG23 VAL A 125 2.871 2.679 1.814 1.00 0.00 H new ATOM 636 N VAL A 126 2.751 3.141 5.106 1.00 0.00 N ATOM 637 CA VAL A 126 4.063 3.326 5.637 1.00 0.00 C ATOM 638 C VAL A 126 4.888 2.123 5.308 1.00 0.00 C ATOM 639 O VAL A 126 4.537 1.012 5.680 1.00 0.00 O ATOM 640 CB VAL A 126 4.034 3.533 7.168 1.00 0.00 C ATOM 641 CG1 VAL A 126 5.454 3.536 7.741 1.00 0.00 C ATOM 642 CG2 VAL A 126 3.316 4.834 7.508 1.00 0.00 C ATOM 0 H VAL A 126 2.186 2.476 5.634 1.00 0.00 H new ATOM 0 HA VAL A 126 4.495 4.222 5.191 1.00 0.00 H new ATOM 0 HB VAL A 126 3.488 2.705 7.620 1.00 0.00 H new ATOM 0 HG11 VAL A 126 5.411 3.683 8.820 1.00 0.00 H new ATOM 0 HG12 VAL A 126 5.936 2.583 7.524 1.00 0.00 H new ATOM 0 HG13 VAL A 126 6.028 4.344 7.287 1.00 0.00 H new ATOM 0 HG21 VAL A 126 3.301 4.970 8.589 1.00 0.00 H new ATOM 0 HG22 VAL A 126 3.839 5.670 7.044 1.00 0.00 H new ATOM 0 HG23 VAL A 126 2.293 4.794 7.134 1.00 0.00 H new ATOM 652 N TYR A 127 5.955 2.341 4.602 1.00 0.00 N ATOM 653 CA TYR A 127 6.839 1.287 4.207 1.00 0.00 C ATOM 654 C TYR A 127 7.549 0.731 5.401 1.00 0.00 C ATOM 655 O TYR A 127 8.354 1.427 6.057 1.00 0.00 O ATOM 656 CB TYR A 127 7.807 1.749 3.150 1.00 0.00 C ATOM 657 CG TYR A 127 7.136 2.066 1.850 1.00 0.00 C ATOM 658 CD1 TYR A 127 6.780 1.044 0.987 1.00 0.00 C ATOM 659 CD2 TYR A 127 6.851 3.372 1.482 1.00 0.00 C ATOM 660 CE1 TYR A 127 6.156 1.306 -0.198 1.00 0.00 C ATOM 661 CE2 TYR A 127 6.232 3.642 0.290 1.00 0.00 C ATOM 662 CZ TYR A 127 5.885 2.601 -0.545 1.00 0.00 C ATOM 663 OH TYR A 127 5.217 2.853 -1.711 1.00 0.00 O ATOM 0 H TYR A 127 6.240 3.266 4.280 1.00 0.00 H new ATOM 0 HA TYR A 127 6.244 0.488 3.764 1.00 0.00 H new ATOM 0 HB2 TYR A 127 8.334 2.634 3.507 1.00 0.00 H new ATOM 0 HB3 TYR A 127 8.557 0.975 2.988 1.00 0.00 H new ATOM 0 HD1 TYR A 127 7.000 0.021 1.256 1.00 0.00 H new ATOM 0 HD2 TYR A 127 7.120 4.184 2.141 1.00 0.00 H new ATOM 0 HE1 TYR A 127 5.878 0.497 -0.857 1.00 0.00 H new ATOM 0 HE2 TYR A 127 6.018 4.662 0.007 1.00 0.00 H new ATOM 0 HH TYR A 127 5.238 3.815 -1.899 1.00 0.00 H new ATOM 673 N THR A 128 7.244 -0.498 5.683 1.00 0.00 N ATOM 674 CA THR A 128 7.713 -1.177 6.835 1.00 0.00 C ATOM 675 C THR A 128 9.220 -1.386 6.767 1.00 0.00 C ATOM 676 O THR A 128 9.757 -1.869 5.759 1.00 0.00 O ATOM 677 CB THR A 128 7.005 -2.526 6.911 1.00 0.00 C ATOM 678 OG1 THR A 128 5.580 -2.316 6.918 1.00 0.00 O ATOM 679 CG2 THR A 128 7.425 -3.316 8.132 1.00 0.00 C ATOM 0 H THR A 128 6.640 -1.069 5.092 1.00 0.00 H new ATOM 0 HA THR A 128 7.499 -0.581 7.722 1.00 0.00 H new ATOM 0 HB THR A 128 7.290 -3.110 6.036 1.00 0.00 H new ATOM 0 HG1 THR A 128 5.122 -3.181 6.965 1.00 0.00 H new ATOM 0 HG21 THR A 128 6.897 -4.270 8.148 1.00 0.00 H new ATOM 0 HG22 THR A 128 8.499 -3.496 8.097 1.00 0.00 H new ATOM 0 HG23 THR A 128 7.181 -2.752 9.032 1.00 0.00 H new ATOM 687 N GLY A 129 9.888 -1.008 7.826 1.00 0.00 N ATOM 688 CA GLY A 129 11.304 -1.161 7.904 1.00 0.00 C ATOM 689 C GLY A 129 12.021 0.044 7.353 1.00 0.00 C ATOM 690 O GLY A 129 13.236 0.166 7.491 1.00 0.00 O ATOM 0 H GLY A 129 9.461 -0.588 8.652 1.00 0.00 H new ATOM 0 HA2 GLY A 129 11.597 -1.317 8.942 1.00 0.00 H new ATOM 0 HA3 GLY A 129 11.606 -2.050 7.350 1.00 0.00 H new ATOM 694 N TYR A 130 11.288 0.933 6.715 1.00 0.00 N ATOM 695 CA TYR A 130 11.890 2.098 6.156 1.00 0.00 C ATOM 696 C TYR A 130 11.395 3.330 6.875 1.00 0.00 C ATOM 697 O TYR A 130 12.192 4.147 7.353 1.00 0.00 O ATOM 698 CB TYR A 130 11.599 2.191 4.676 1.00 0.00 C ATOM 699 CG TYR A 130 12.065 0.993 3.872 1.00 0.00 C ATOM 700 CD1 TYR A 130 13.402 0.809 3.575 1.00 0.00 C ATOM 701 CD2 TYR A 130 11.156 0.064 3.395 1.00 0.00 C ATOM 702 CE1 TYR A 130 13.819 -0.269 2.824 1.00 0.00 C ATOM 703 CE2 TYR A 130 11.563 -1.015 2.650 1.00 0.00 C ATOM 704 CZ TYR A 130 12.894 -1.177 2.365 1.00 0.00 C ATOM 705 OH TYR A 130 13.305 -2.252 1.607 1.00 0.00 O ATOM 0 H TYR A 130 10.280 0.861 6.578 1.00 0.00 H new ATOM 0 HA TYR A 130 12.970 2.029 6.283 1.00 0.00 H new ATOM 0 HB2 TYR A 130 10.525 2.312 4.536 1.00 0.00 H new ATOM 0 HB3 TYR A 130 12.076 3.088 4.280 1.00 0.00 H new ATOM 0 HD1 TYR A 130 14.130 1.520 3.936 1.00 0.00 H new ATOM 0 HD2 TYR A 130 10.106 0.191 3.613 1.00 0.00 H new ATOM 0 HE1 TYR A 130 14.867 -0.400 2.597 1.00 0.00 H new ATOM 0 HE2 TYR A 130 10.839 -1.732 2.291 1.00 0.00 H new ATOM 0 HH TYR A 130 12.750 -2.315 0.801 1.00 0.00 H new ATOM 715 N GLY A 131 10.087 3.452 6.988 1.00 0.00 N ATOM 716 CA GLY A 131 9.516 4.571 7.691 1.00 0.00 C ATOM 717 C GLY A 131 8.952 5.641 6.785 1.00 0.00 C ATOM 718 O GLY A 131 8.527 6.695 7.263 1.00 0.00 O ATOM 0 H GLY A 131 9.409 2.794 6.604 1.00 0.00 H new ATOM 0 HA2 GLY A 131 8.724 4.210 8.347 1.00 0.00 H new ATOM 0 HA3 GLY A 131 10.280 5.015 8.329 1.00 0.00 H new ATOM 722 N ASN A 132 8.923 5.394 5.485 1.00 0.00 N ATOM 723 CA ASN A 132 8.348 6.394 4.569 1.00 0.00 C ATOM 724 C ASN A 132 6.906 6.142 4.419 1.00 0.00 C ATOM 725 O ASN A 132 6.435 5.047 4.699 1.00 0.00 O ATOM 726 CB ASN A 132 8.952 6.416 3.159 1.00 0.00 C ATOM 727 CG ASN A 132 10.343 6.985 3.063 1.00 0.00 C ATOM 728 OD1 ASN A 132 10.759 7.805 3.875 1.00 0.00 O ATOM 729 ND2 ASN A 132 11.049 6.609 2.039 1.00 0.00 N ATOM 0 H ASN A 132 9.274 4.545 5.042 1.00 0.00 H new ATOM 0 HA ASN A 132 8.573 7.356 5.029 1.00 0.00 H new ATOM 0 HB2 ASN A 132 8.967 5.397 2.772 1.00 0.00 H new ATOM 0 HB3 ASN A 132 8.295 6.994 2.509 1.00 0.00 H new ATOM 0 HD21 ASN A 132 11.980 6.998 1.891 1.00 0.00 H new ATOM 0 HD22 ASN A 132 10.672 5.925 1.383 1.00 0.00 H new ATOM 736 N ARG A 133 6.212 7.109 3.948 1.00 0.00 N ATOM 737 CA ARG A 133 4.814 6.978 3.745 1.00 0.00 C ATOM 738 C ARG A 133 4.431 7.547 2.410 1.00 0.00 C ATOM 739 O ARG A 133 4.908 8.607 2.007 1.00 0.00 O ATOM 740 CB ARG A 133 4.018 7.544 4.937 1.00 0.00 C ATOM 741 CG ARG A 133 4.265 9.000 5.277 1.00 0.00 C ATOM 742 CD ARG A 133 3.344 9.944 4.533 1.00 0.00 C ATOM 743 NE ARG A 133 3.558 11.329 4.968 1.00 0.00 N ATOM 744 CZ ARG A 133 3.635 12.407 4.174 1.00 0.00 C ATOM 745 NH1 ARG A 133 3.497 12.300 2.854 1.00 0.00 N ATOM 746 NH2 ARG A 133 3.857 13.592 4.709 1.00 0.00 N ATOM 0 H ARG A 133 6.596 8.018 3.690 1.00 0.00 H new ATOM 0 HA ARG A 133 4.545 5.922 3.711 1.00 0.00 H new ATOM 0 HB2 ARG A 133 2.955 7.416 4.731 1.00 0.00 H new ATOM 0 HB3 ARG A 133 4.246 6.943 5.817 1.00 0.00 H new ATOM 0 HG2 ARG A 133 4.135 9.144 6.350 1.00 0.00 H new ATOM 0 HG3 ARG A 133 5.300 9.252 5.044 1.00 0.00 H new ATOM 0 HD2 ARG A 133 3.522 9.863 3.461 1.00 0.00 H new ATOM 0 HD3 ARG A 133 2.306 9.659 4.707 1.00 0.00 H new ATOM 0 HE ARG A 133 3.658 11.487 5.971 1.00 0.00 H new ATOM 0 HH11 ARG A 133 3.330 11.387 2.431 1.00 0.00 H new ATOM 0 HH12 ARG A 133 3.559 13.131 2.266 1.00 0.00 H new ATOM 0 HH21 ARG A 133 3.969 13.683 5.719 1.00 0.00 H new ATOM 0 HH22 ARG A 133 3.917 14.418 4.113 1.00 0.00 H new ATOM 760 N GLU A 134 3.611 6.835 1.731 1.00 0.00 N ATOM 761 CA GLU A 134 3.215 7.151 0.402 1.00 0.00 C ATOM 762 C GLU A 134 1.747 6.825 0.226 1.00 0.00 C ATOM 763 O GLU A 134 1.229 5.933 0.902 1.00 0.00 O ATOM 764 CB GLU A 134 4.131 6.377 -0.563 1.00 0.00 C ATOM 765 CG GLU A 134 3.703 6.353 -1.993 1.00 0.00 C ATOM 766 CD GLU A 134 4.869 6.172 -2.931 1.00 0.00 C ATOM 767 OE1 GLU A 134 5.395 5.064 -3.085 1.00 0.00 O ATOM 768 OE2 GLU A 134 5.275 7.162 -3.541 1.00 0.00 O ATOM 0 H GLU A 134 3.179 5.985 2.094 1.00 0.00 H new ATOM 0 HA GLU A 134 3.324 8.214 0.186 1.00 0.00 H new ATOM 0 HB2 GLU A 134 5.130 6.810 -0.510 1.00 0.00 H new ATOM 0 HB3 GLU A 134 4.211 5.349 -0.211 1.00 0.00 H new ATOM 0 HG2 GLU A 134 2.988 5.544 -2.143 1.00 0.00 H new ATOM 0 HG3 GLU A 134 3.187 7.283 -2.232 1.00 0.00 H new ATOM 775 N GLU A 135 1.084 7.540 -0.647 1.00 0.00 N ATOM 776 CA GLU A 135 -0.326 7.381 -0.846 1.00 0.00 C ATOM 777 C GLU A 135 -0.568 6.588 -2.106 1.00 0.00 C ATOM 778 O GLU A 135 -0.188 6.993 -3.212 1.00 0.00 O ATOM 779 CB GLU A 135 -1.008 8.734 -0.916 1.00 0.00 C ATOM 780 CG GLU A 135 -2.511 8.661 -1.049 1.00 0.00 C ATOM 781 CD GLU A 135 -3.130 10.014 -1.091 1.00 0.00 C ATOM 782 OE1 GLU A 135 -3.100 10.656 -2.155 1.00 0.00 O ATOM 783 OE2 GLU A 135 -3.653 10.473 -0.065 1.00 0.00 O ATOM 0 H GLU A 135 1.513 8.251 -1.240 1.00 0.00 H new ATOM 0 HA GLU A 135 -0.751 6.838 -0.002 1.00 0.00 H new ATOM 0 HB2 GLU A 135 -0.761 9.300 -0.018 1.00 0.00 H new ATOM 0 HB3 GLU A 135 -0.605 9.288 -1.764 1.00 0.00 H new ATOM 0 HG2 GLU A 135 -2.769 8.115 -1.956 1.00 0.00 H new ATOM 0 HG3 GLU A 135 -2.923 8.099 -0.211 1.00 0.00 H new ATOM 790 N GLN A 136 -1.194 5.473 -1.930 1.00 0.00 N ATOM 791 CA GLN A 136 -1.419 4.523 -2.978 1.00 0.00 C ATOM 792 C GLN A 136 -2.898 4.259 -3.072 1.00 0.00 C ATOM 793 O GLN A 136 -3.633 4.565 -2.152 1.00 0.00 O ATOM 794 CB GLN A 136 -0.711 3.229 -2.617 1.00 0.00 C ATOM 795 CG GLN A 136 0.755 3.416 -2.257 1.00 0.00 C ATOM 796 CD GLN A 136 1.655 3.625 -3.455 1.00 0.00 C ATOM 797 OE1 GLN A 136 1.244 4.135 -4.511 1.00 0.00 O ATOM 798 NE2 GLN A 136 2.888 3.304 -3.287 1.00 0.00 N ATOM 0 H GLN A 136 -1.576 5.185 -1.029 1.00 0.00 H new ATOM 0 HA GLN A 136 -1.043 4.904 -3.927 1.00 0.00 H new ATOM 0 HB2 GLN A 136 -1.227 2.765 -1.776 1.00 0.00 H new ATOM 0 HB3 GLN A 136 -0.785 2.538 -3.457 1.00 0.00 H new ATOM 0 HG2 GLN A 136 0.849 4.272 -1.589 1.00 0.00 H new ATOM 0 HG3 GLN A 136 1.098 2.542 -1.704 1.00 0.00 H new ATOM 0 HE21 GLN A 136 3.191 2.887 -2.407 1.00 0.00 H new ATOM 0 HE22 GLN A 136 3.564 3.466 -4.034 1.00 0.00 H new ATOM 807 N ASN A 137 -3.323 3.698 -4.152 1.00 0.00 N ATOM 808 CA ASN A 137 -4.731 3.374 -4.351 1.00 0.00 C ATOM 809 C ASN A 137 -5.003 2.063 -3.704 1.00 0.00 C ATOM 810 O ASN A 137 -4.149 1.185 -3.724 1.00 0.00 O ATOM 811 CB ASN A 137 -5.060 3.232 -5.833 1.00 0.00 C ATOM 812 CG ASN A 137 -4.781 4.454 -6.657 1.00 0.00 C ATOM 813 OD1 ASN A 137 -5.656 5.287 -6.872 1.00 0.00 O ATOM 814 ND2 ASN A 137 -3.556 4.591 -7.087 1.00 0.00 N ATOM 0 H ASN A 137 -2.720 3.443 -4.934 1.00 0.00 H new ATOM 0 HA ASN A 137 -5.334 4.175 -3.925 1.00 0.00 H new ATOM 0 HB2 ASN A 137 -4.488 2.398 -6.240 1.00 0.00 H new ATOM 0 HB3 ASN A 137 -6.114 2.975 -5.934 1.00 0.00 H new ATOM 0 HD21 ASN A 137 -3.294 5.417 -7.626 1.00 0.00 H new ATOM 0 HD22 ASN A 137 -2.861 3.872 -6.884 1.00 0.00 H new ATOM 821 N LEU A 138 -6.175 1.919 -3.161 1.00 0.00 N ATOM 822 CA LEU A 138 -6.606 0.676 -2.514 1.00 0.00 C ATOM 823 C LEU A 138 -6.548 -0.498 -3.490 1.00 0.00 C ATOM 824 O LEU A 138 -6.132 -1.585 -3.140 1.00 0.00 O ATOM 825 CB LEU A 138 -8.020 0.845 -1.974 1.00 0.00 C ATOM 826 CG LEU A 138 -8.191 1.916 -0.913 1.00 0.00 C ATOM 827 CD1 LEU A 138 -9.656 2.224 -0.726 1.00 0.00 C ATOM 828 CD2 LEU A 138 -7.580 1.459 0.398 1.00 0.00 C ATOM 0 H LEU A 138 -6.879 2.657 -3.145 1.00 0.00 H new ATOM 0 HA LEU A 138 -5.928 0.459 -1.689 1.00 0.00 H new ATOM 0 HB2 LEU A 138 -8.683 1.075 -2.808 1.00 0.00 H new ATOM 0 HB3 LEU A 138 -8.348 -0.108 -1.559 1.00 0.00 H new ATOM 0 HG LEU A 138 -7.678 2.821 -1.239 1.00 0.00 H new ATOM 0 HD11 LEU A 138 -9.771 2.994 0.037 1.00 0.00 H new ATOM 0 HD12 LEU A 138 -10.076 2.580 -1.667 1.00 0.00 H new ATOM 0 HD13 LEU A 138 -10.181 1.321 -0.413 1.00 0.00 H new ATOM 0 HD21 LEU A 138 -7.710 2.237 1.151 1.00 0.00 H new ATOM 0 HD22 LEU A 138 -8.074 0.546 0.731 1.00 0.00 H new ATOM 0 HD23 LEU A 138 -6.517 1.265 0.256 1.00 0.00 H new ATOM 840 N SER A 139 -6.918 -0.244 -4.720 1.00 0.00 N ATOM 841 CA SER A 139 -6.897 -1.265 -5.748 1.00 0.00 C ATOM 842 C SER A 139 -5.483 -1.460 -6.312 1.00 0.00 C ATOM 843 O SER A 139 -5.213 -2.431 -7.028 1.00 0.00 O ATOM 844 CB SER A 139 -7.845 -0.881 -6.871 1.00 0.00 C ATOM 845 OG SER A 139 -9.163 -0.663 -6.385 1.00 0.00 O ATOM 0 H SER A 139 -7.241 0.669 -5.040 1.00 0.00 H new ATOM 0 HA SER A 139 -7.217 -2.205 -5.298 1.00 0.00 H new ATOM 0 HB2 SER A 139 -7.483 0.022 -7.362 1.00 0.00 H new ATOM 0 HB3 SER A 139 -7.859 -1.670 -7.623 1.00 0.00 H new ATOM 0 HG SER A 139 -9.750 -0.416 -7.130 1.00 0.00 H new ATOM 851 N ASP A 140 -4.578 -0.561 -5.971 1.00 0.00 N ATOM 852 CA ASP A 140 -3.212 -0.617 -6.503 1.00 0.00 C ATOM 853 C ASP A 140 -2.312 -1.302 -5.494 1.00 0.00 C ATOM 854 O ASP A 140 -1.150 -1.630 -5.777 1.00 0.00 O ATOM 855 CB ASP A 140 -2.679 0.795 -6.824 1.00 0.00 C ATOM 856 CG ASP A 140 -1.339 0.789 -7.534 1.00 0.00 C ATOM 857 OD1 ASP A 140 -1.267 0.322 -8.678 1.00 0.00 O ATOM 858 OD2 ASP A 140 -0.342 1.263 -6.962 1.00 0.00 O ATOM 0 H ASP A 140 -4.754 0.215 -5.333 1.00 0.00 H new ATOM 0 HA ASP A 140 -3.221 -1.185 -7.433 1.00 0.00 H new ATOM 0 HB2 ASP A 140 -3.407 1.317 -7.444 1.00 0.00 H new ATOM 0 HB3 ASP A 140 -2.587 1.360 -5.896 1.00 0.00 H new ATOM 863 N LEU A 141 -2.858 -1.516 -4.311 1.00 0.00 N ATOM 864 CA LEU A 141 -2.150 -2.193 -3.250 1.00 0.00 C ATOM 865 C LEU A 141 -1.942 -3.642 -3.581 1.00 0.00 C ATOM 866 O LEU A 141 -2.548 -4.181 -4.507 1.00 0.00 O ATOM 867 CB LEU A 141 -2.874 -2.079 -1.921 1.00 0.00 C ATOM 868 CG LEU A 141 -3.035 -0.686 -1.351 1.00 0.00 C ATOM 869 CD1 LEU A 141 -3.654 -0.764 0.021 1.00 0.00 C ATOM 870 CD2 LEU A 141 -1.701 0.036 -1.308 1.00 0.00 C ATOM 0 H LEU A 141 -3.803 -1.224 -4.063 1.00 0.00 H new ATOM 0 HA LEU A 141 -1.182 -1.701 -3.157 1.00 0.00 H new ATOM 0 HB2 LEU A 141 -3.866 -2.516 -2.035 1.00 0.00 H new ATOM 0 HB3 LEU A 141 -2.340 -2.686 -1.190 1.00 0.00 H new ATOM 0 HG LEU A 141 -3.698 -0.113 -2.000 1.00 0.00 H new ATOM 0 HD11 LEU A 141 -3.768 0.241 0.427 1.00 0.00 H new ATOM 0 HD12 LEU A 141 -4.632 -1.240 -0.048 1.00 0.00 H new ATOM 0 HD13 LEU A 141 -3.011 -1.350 0.678 1.00 0.00 H new ATOM 0 HD21 LEU A 141 -1.841 1.035 -0.895 1.00 0.00 H new ATOM 0 HD22 LEU A 141 -1.005 -0.522 -0.681 1.00 0.00 H new ATOM 0 HD23 LEU A 141 -1.297 0.114 -2.317 1.00 0.00 H new ATOM 882 N LEU A 142 -1.095 -4.257 -2.841 1.00 0.00 N ATOM 883 CA LEU A 142 -0.733 -5.626 -3.065 1.00 0.00 C ATOM 884 C LEU A 142 -0.700 -6.339 -1.727 1.00 0.00 C ATOM 885 O LEU A 142 -0.672 -5.681 -0.679 1.00 0.00 O ATOM 886 CB LEU A 142 0.651 -5.637 -3.718 1.00 0.00 C ATOM 887 CG LEU A 142 0.771 -4.826 -5.014 1.00 0.00 C ATOM 888 CD1 LEU A 142 2.204 -4.516 -5.326 1.00 0.00 C ATOM 889 CD2 LEU A 142 0.130 -5.555 -6.176 1.00 0.00 C ATOM 0 H LEU A 142 -0.621 -3.826 -2.048 1.00 0.00 H new ATOM 0 HA LEU A 142 -1.447 -6.132 -3.714 1.00 0.00 H new ATOM 0 HB2 LEU A 142 1.376 -5.253 -3.000 1.00 0.00 H new ATOM 0 HB3 LEU A 142 0.927 -6.670 -3.929 1.00 0.00 H new ATOM 0 HG LEU A 142 0.240 -3.887 -4.861 1.00 0.00 H new ATOM 0 HD11 LEU A 142 2.259 -3.940 -6.250 1.00 0.00 H new ATOM 0 HD12 LEU A 142 2.637 -3.936 -4.511 1.00 0.00 H new ATOM 0 HD13 LEU A 142 2.760 -5.446 -5.444 1.00 0.00 H new ATOM 0 HD21 LEU A 142 0.230 -4.956 -7.081 1.00 0.00 H new ATOM 0 HD22 LEU A 142 0.624 -6.516 -6.320 1.00 0.00 H new ATOM 0 HD23 LEU A 142 -0.927 -5.719 -5.965 1.00 0.00 H new ATOM 901 N SER A 143 -0.711 -7.651 -1.752 1.00 0.00 N ATOM 902 CA SER A 143 -0.657 -8.452 -0.544 1.00 0.00 C ATOM 903 C SER A 143 0.720 -8.290 0.122 1.00 0.00 C ATOM 904 O SER A 143 1.743 -8.229 -0.581 1.00 0.00 O ATOM 905 CB SER A 143 -0.948 -9.910 -0.890 1.00 0.00 C ATOM 906 OG SER A 143 -2.204 -10.009 -1.549 1.00 0.00 O ATOM 0 H SER A 143 -0.758 -8.198 -2.612 1.00 0.00 H new ATOM 0 HA SER A 143 -1.413 -8.115 0.166 1.00 0.00 H new ATOM 0 HB2 SER A 143 -0.159 -10.305 -1.530 1.00 0.00 H new ATOM 0 HB3 SER A 143 -0.955 -10.514 0.017 1.00 0.00 H new ATOM 0 HG SER A 143 -2.384 -10.947 -1.770 1.00 0.00 H new ATOM 912 N PRO A 144 0.765 -8.231 1.467 1.00 0.00 N ATOM 913 CA PRO A 144 1.985 -7.913 2.218 1.00 0.00 C ATOM 914 C PRO A 144 3.126 -8.871 1.995 1.00 0.00 C ATOM 915 O PRO A 144 2.933 -10.078 1.844 1.00 0.00 O ATOM 916 CB PRO A 144 1.565 -7.968 3.672 1.00 0.00 C ATOM 917 CG PRO A 144 0.320 -8.787 3.684 1.00 0.00 C ATOM 918 CD PRO A 144 -0.359 -8.516 2.374 1.00 0.00 C ATOM 0 HA PRO A 144 2.367 -6.946 1.891 1.00 0.00 H new ATOM 0 HB2 PRO A 144 2.341 -8.420 4.290 1.00 0.00 H new ATOM 0 HB3 PRO A 144 1.384 -6.969 4.068 1.00 0.00 H new ATOM 0 HG2 PRO A 144 0.550 -9.847 3.794 1.00 0.00 H new ATOM 0 HG3 PRO A 144 -0.321 -8.512 4.521 1.00 0.00 H new ATOM 0 HD2 PRO A 144 -0.941 -9.374 2.037 1.00 0.00 H new ATOM 0 HD3 PRO A 144 -1.045 -7.672 2.443 1.00 0.00 H new ATOM 926 N ILE A 145 4.296 -8.321 1.956 1.00 0.00 N ATOM 927 CA ILE A 145 5.493 -9.088 1.840 1.00 0.00 C ATOM 928 C ILE A 145 6.001 -9.351 3.224 1.00 0.00 C ATOM 929 O ILE A 145 6.008 -8.455 4.080 1.00 0.00 O ATOM 930 CB ILE A 145 6.601 -8.360 1.046 1.00 0.00 C ATOM 931 CG1 ILE A 145 6.086 -7.927 -0.325 1.00 0.00 C ATOM 932 CG2 ILE A 145 7.848 -9.244 0.916 1.00 0.00 C ATOM 933 CD1 ILE A 145 7.125 -7.263 -1.210 1.00 0.00 C ATOM 0 H ILE A 145 4.449 -7.314 2.004 1.00 0.00 H new ATOM 0 HA ILE A 145 5.254 -10.004 1.299 1.00 0.00 H new ATOM 0 HB ILE A 145 6.884 -7.463 1.596 1.00 0.00 H new ATOM 0 HG12 ILE A 145 5.692 -8.801 -0.843 1.00 0.00 H new ATOM 0 HG13 ILE A 145 5.253 -7.238 -0.185 1.00 0.00 H new ATOM 0 HG21 ILE A 145 8.615 -8.711 0.354 1.00 0.00 H new ATOM 0 HG22 ILE A 145 8.228 -9.485 1.909 1.00 0.00 H new ATOM 0 HG23 ILE A 145 7.588 -10.165 0.393 1.00 0.00 H new ATOM 0 HD11 ILE A 145 6.671 -6.989 -2.162 1.00 0.00 H new ATOM 0 HD12 ILE A 145 7.503 -6.367 -0.718 1.00 0.00 H new ATOM 0 HD13 ILE A 145 7.948 -7.955 -1.387 1.00 0.00 H new ATOM 945 N CYS A 146 6.406 -10.536 3.432 1.00 0.00 N ATOM 946 CA CYS A 146 6.922 -10.987 4.676 1.00 0.00 C ATOM 947 C CYS A 146 7.755 -12.206 4.388 1.00 0.00 C ATOM 948 O CYS A 146 7.229 -13.303 4.162 1.00 0.00 O ATOM 949 CB CYS A 146 5.782 -11.322 5.626 1.00 0.00 C ATOM 950 SG CYS A 146 6.290 -11.683 7.317 1.00 0.00 S ATOM 0 H CYS A 146 6.391 -11.260 2.714 1.00 0.00 H new ATOM 0 HA CYS A 146 7.526 -10.216 5.155 1.00 0.00 H new ATOM 0 HB2 CYS A 146 5.083 -10.486 5.642 1.00 0.00 H new ATOM 0 HB3 CYS A 146 5.241 -12.182 5.233 1.00 0.00 H new ATOM 0 HG CYS A 146 5.242 -11.952 8.037 1.00 0.00 H new ATOM 956 N GLU A 147 9.028 -12.004 4.306 1.00 0.00 N ATOM 957 CA GLU A 147 9.929 -13.049 3.954 1.00 0.00 C ATOM 958 C GLU A 147 10.708 -13.468 5.176 1.00 0.00 C ATOM 959 O GLU A 147 10.399 -14.523 5.751 1.00 0.00 O ATOM 960 CB GLU A 147 10.860 -12.600 2.823 1.00 0.00 C ATOM 961 CG GLU A 147 10.136 -12.165 1.547 1.00 0.00 C ATOM 962 CD GLU A 147 9.224 -13.237 0.980 1.00 0.00 C ATOM 963 OE1 GLU A 147 9.722 -14.206 0.370 1.00 0.00 O ATOM 964 OE2 GLU A 147 7.984 -13.124 1.114 1.00 0.00 O ATOM 965 OXT GLU A 147 11.588 -12.710 5.625 1.00 0.00 O ATOM 0 H GLU A 147 9.474 -11.104 4.482 1.00 0.00 H new ATOM 0 HA GLU A 147 9.366 -13.908 3.588 1.00 0.00 H new ATOM 0 HB2 GLU A 147 11.473 -11.772 3.180 1.00 0.00 H new ATOM 0 HB3 GLU A 147 11.539 -13.418 2.581 1.00 0.00 H new ATOM 0 HG2 GLU A 147 9.548 -11.272 1.758 1.00 0.00 H new ATOM 0 HG3 GLU A 147 10.875 -11.890 0.794 1.00 0.00 H new TER 972 GLU A 147 HETATM 973 N 2MR A1148 16.745 4.019 -2.792 1.00 0.00 N HETATM 974 CA 2MR A1148 16.622 3.832 -1.347 1.00 0.00 C HETATM 975 CB 2MR A1148 16.236 2.393 -0.989 1.00 0.00 C HETATM 976 CG 2MR A1148 15.943 2.197 0.493 1.00 0.00 C HETATM 977 CD 2MR A1148 14.569 2.742 0.866 1.00 0.00 C HETATM 978 NE 2MR A1148 13.505 1.928 0.276 1.00 0.00 N HETATM 979 CZ 2MR A1148 12.208 2.093 0.486 1.00 0.00 C HETATM 980 NH1 2MR A1148 11.812 3.101 1.322 1.00 0.00 N HETATM 981 CQ1 2MR A1148 10.483 3.539 1.756 1.00 0.00 C HETATM 982 NH2 2MR A1148 11.369 1.236 -0.139 1.00 0.00 N HETATM 983 CQ2 2MR A1148 9.916 1.141 -0.128 1.00 0.00 C HETATM 984 C 2MR A1148 17.950 4.154 -0.732 1.00 0.00 C HETATM 985 O 2MR A1148 18.027 5.069 0.099 1.00 0.00 O HETATM 986 OXT 2MR A1148 18.949 3.514 -1.104 1.00 0.00 O HETATM 0 HQ23 2MR A1148 9.570 0.970 0.891 1.00 0.00 H new HETATM 0 HQ22 2MR A1148 9.488 2.070 -0.505 1.00 0.00 H new HETATM 0 HQ21 2MR A1148 9.601 0.312 -0.762 1.00 0.00 H new HETATM 0 HQ13 2MR A1148 9.896 3.835 0.887 1.00 0.00 H new HETATM 0 HQ12 2MR A1148 9.980 2.721 2.271 1.00 0.00 H new HETATM 0 HQ11 2MR A1148 10.583 4.387 2.433 1.00 0.00 H new HETATM 0 HH2 2MR A1148 11.834 0.536 -0.717 1.00 0.00 H new HETATM 0 HG3 2MR A1148 15.994 1.136 0.738 1.00 0.00 H new HETATM 0 HG2 2MR A1148 16.708 2.698 1.086 1.00 0.00 H new HETATM 0 HE 2MR A1148 13.786 1.172 -0.348 1.00 0.00 H new HETATM 0 HD3 2MR A1148 14.462 2.757 1.951 1.00 0.00 H new HETATM 0 HD2 2MR A1148 14.477 3.772 0.522 1.00 0.00 H new HETATM 0 HB3 2MR A1148 15.357 2.106 -1.567 1.00 0.00 H new HETATM 0 HB2 2MR A1148 17.044 1.724 -1.284 1.00 0.00 H new HETATM 0 HA 2MR A1148 15.835 4.485 -0.970 1.00 0.00 H new HETATM 0 H2 2MR A1148 16.998 4.933 -3.168 1.00 0.00 H new HETATM 0 H 2MR A1148 16.578 3.236 -3.424 1.00 0.00 H new