USER MOD reduce.3.24.130724 H: found=0, std=0, add=999, rem=0, adj=18 USER MOD reduce.3.24.130724 removed 1000 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 4 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 7 LYS NZ :NH3+ 134:sc= -0.453! (180deg=-1.58!) USER MOD Single : A 15 SER OG : rot 180:sc= 0 USER MOD Single : A 16 THR OG1 : rot 35:sc= 0.872 USER MOD Single : A 17 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 23 ASN : amide:sc= -0.101 X(o=-0.1,f=-0.39) USER MOD Single : A 26 LYS NZ :NH3+ -153:sc= -0.0213 (180deg=-0.274) USER MOD Single : A 31 ASN : amide:sc= -0.043 X(o=-0.043,f=-0.084) USER MOD Single : A 32 ASN : amide:sc= -0.0633 X(o=-0.063,f=0) USER MOD Single : A 44 ASN : amide:sc= 0.0661 X(o=0.066,f=0) USER MOD Single : A 45 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 47 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 51 TYR OH : rot 90:sc= -1.34 USER MOD Single : A 56 SER OG : rot 180:sc= 0 USER MOD Single : A 59 ASN :FLIP amide:sc= -7.31! C(o=-9.1!,f=-7.3!) USER MOD Single : A 60 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 62 ASN :FLIP amide:sc= -1.39 F(o=-5.4!,f=-1.4) USER MOD Single : A 63 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 70 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 71 THR OG1 : rot 82:sc= 0.831 USER MOD Single : A 78 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 79 SER OG : rot 180:sc= 0 USER MOD Single : A 85 MET CE :methyl -161:sc= -0.154 (180deg=-0.679) USER MOD Single : A 87 THR OG1 : rot 180:sc= 0 USER MOD Single : A 91 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 92 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 94 ASN : amide:sc= -0.289 X(o=-0.29,f=-0.4) USER MOD Single : A 100 GLN :FLIP amide:sc= -0.0357 F(o=-0.63,f=-0.036) USER MOD Single : A 104 SER OG : rot 180:sc= 0 USER MOD Single : A 106 TYR OH : rot 180:sc= -4.23! USER MOD Single : A 109 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 112 THR OG1 : rot 180:sc= 0 USER MOD Single : A 115 THR OG1 : rot 60:sc= 0.161 USER MOD Single : A 119 LYS NZ :NH3+ -152:sc= -0.147 (180deg=-0.844) USER MOD Single : A 121 ASN : amide:sc= -0.0576 X(o=-0.058,f=0) USER MOD Single : A 122 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 126 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 129 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD ----------------------------------------------------------------- ATOM 1 N ALA A 2 -13.474 -1.070 9.179 1.00 0.00 N ATOM 2 CA ALA A 2 -12.507 0.047 9.370 1.00 0.00 C ATOM 3 C ALA A 2 -13.158 1.369 8.960 1.00 0.00 C ATOM 4 O ALA A 2 -14.252 1.398 8.433 1.00 0.00 O ATOM 5 CB ALA A 2 -11.269 -0.200 8.506 1.00 0.00 C ATOM 0 HA ALA A 2 -12.217 0.098 10.419 1.00 0.00 H new ATOM 0 HB1 ALA A 2 -10.560 0.616 8.644 1.00 0.00 H new ATOM 0 HB2 ALA A 2 -10.802 -1.140 8.800 1.00 0.00 H new ATOM 0 HB3 ALA A 2 -11.562 -0.253 7.457 1.00 0.00 H new ATOM 11 N ASP A 3 -12.491 2.467 9.199 1.00 0.00 N ATOM 12 CA ASP A 3 -13.070 3.789 8.824 1.00 0.00 C ATOM 13 C ASP A 3 -13.417 3.789 7.335 1.00 0.00 C ATOM 14 O ASP A 3 -12.752 3.165 6.535 1.00 0.00 O ATOM 15 CB ASP A 3 -12.046 4.891 9.108 1.00 0.00 C ATOM 16 CG ASP A 3 -12.741 6.070 9.789 1.00 0.00 C ATOM 17 OD1 ASP A 3 -13.867 6.362 9.421 1.00 0.00 O ATOM 18 OD2 ASP A 3 -12.134 6.663 10.666 1.00 0.00 O ATOM 0 H ASP A 3 -11.571 2.505 9.637 1.00 0.00 H new ATOM 0 HA ASP A 3 -13.973 3.970 9.408 1.00 0.00 H new ATOM 0 HB2 ASP A 3 -11.250 4.507 9.746 1.00 0.00 H new ATOM 0 HB3 ASP A 3 -11.580 5.217 8.178 1.00 0.00 H new ATOM 23 N LYS A 4 -14.456 4.480 6.952 1.00 0.00 N ATOM 24 CA LYS A 4 -14.834 4.510 5.511 1.00 0.00 C ATOM 25 C LYS A 4 -14.127 5.674 4.818 1.00 0.00 C ATOM 26 O LYS A 4 -14.610 6.211 3.841 1.00 0.00 O ATOM 27 CB LYS A 4 -16.347 4.689 5.379 1.00 0.00 C ATOM 28 CG LYS A 4 -17.049 3.349 5.605 1.00 0.00 C ATOM 29 CD LYS A 4 -18.554 3.519 5.393 1.00 0.00 C ATOM 30 CE LYS A 4 -19.209 2.144 5.245 1.00 0.00 C ATOM 31 NZ LYS A 4 -20.672 2.312 5.017 1.00 0.00 N ATOM 0 H LYS A 4 -15.057 5.023 7.572 1.00 0.00 H new ATOM 0 HA LYS A 4 -14.536 3.571 5.044 1.00 0.00 H new ATOM 0 HB2 LYS A 4 -16.700 5.422 6.104 1.00 0.00 H new ATOM 0 HB3 LYS A 4 -16.592 5.076 4.390 1.00 0.00 H new ATOM 0 HG2 LYS A 4 -16.656 2.600 4.917 1.00 0.00 H new ATOM 0 HG3 LYS A 4 -16.852 2.989 6.615 1.00 0.00 H new ATOM 0 HD2 LYS A 4 -18.992 4.053 6.236 1.00 0.00 H new ATOM 0 HD3 LYS A 4 -18.741 4.120 4.503 1.00 0.00 H new ATOM 0 HE2 LYS A 4 -18.760 1.603 4.412 1.00 0.00 H new ATOM 0 HE3 LYS A 4 -19.036 1.549 6.141 1.00 0.00 H new ATOM 0 HZ1 LYS A 4 -21.117 1.378 4.916 1.00 0.00 H new ATOM 0 HZ2 LYS A 4 -21.094 2.811 5.826 1.00 0.00 H new ATOM 0 HZ3 LYS A 4 -20.827 2.864 4.150 1.00 0.00 H new ATOM 45 N GLU A 5 -12.990 6.076 5.313 1.00 0.00 N ATOM 46 CA GLU A 5 -12.266 7.209 4.670 1.00 0.00 C ATOM 47 C GLU A 5 -10.786 7.150 5.045 1.00 0.00 C ATOM 48 O GLU A 5 -10.147 8.165 5.243 1.00 0.00 O ATOM 49 CB GLU A 5 -12.860 8.535 5.150 1.00 0.00 C ATOM 50 CG GLU A 5 -12.502 9.642 4.155 1.00 0.00 C ATOM 51 CD GLU A 5 -12.683 11.007 4.820 1.00 0.00 C ATOM 52 OE1 GLU A 5 -13.797 11.310 5.214 1.00 0.00 O ATOM 53 OE2 GLU A 5 -11.704 11.727 4.924 1.00 0.00 O ATOM 0 H GLU A 5 -12.532 5.672 6.130 1.00 0.00 H new ATOM 0 HA GLU A 5 -12.369 7.135 3.587 1.00 0.00 H new ATOM 0 HB2 GLU A 5 -13.943 8.449 5.241 1.00 0.00 H new ATOM 0 HB3 GLU A 5 -12.475 8.782 6.139 1.00 0.00 H new ATOM 0 HG2 GLU A 5 -11.472 9.524 3.819 1.00 0.00 H new ATOM 0 HG3 GLU A 5 -13.136 9.570 3.271 1.00 0.00 H new ATOM 60 N LEU A 6 -10.229 5.973 5.137 1.00 0.00 N ATOM 61 CA LEU A 6 -8.797 5.864 5.489 1.00 0.00 C ATOM 62 C LEU A 6 -7.975 6.322 4.274 1.00 0.00 C ATOM 63 O LEU A 6 -8.311 6.023 3.148 1.00 0.00 O ATOM 64 CB LEU A 6 -8.500 4.402 5.870 1.00 0.00 C ATOM 65 CG LEU A 6 -7.057 4.224 6.361 1.00 0.00 C ATOM 66 CD1 LEU A 6 -6.730 5.219 7.467 1.00 0.00 C ATOM 67 CD2 LEU A 6 -6.894 2.824 6.937 1.00 0.00 C ATOM 0 H LEU A 6 -10.709 5.086 4.983 1.00 0.00 H new ATOM 0 HA LEU A 6 -8.535 6.493 6.340 1.00 0.00 H new ATOM 0 HB2 LEU A 6 -9.191 4.082 6.649 1.00 0.00 H new ATOM 0 HB3 LEU A 6 -8.672 3.759 5.007 1.00 0.00 H new ATOM 0 HG LEU A 6 -6.390 4.386 5.515 1.00 0.00 H new ATOM 0 HD11 LEU A 6 -5.702 5.071 7.797 1.00 0.00 H new ATOM 0 HD12 LEU A 6 -6.848 6.235 7.089 1.00 0.00 H new ATOM 0 HD13 LEU A 6 -7.406 5.064 8.308 1.00 0.00 H new ATOM 0 HD21 LEU A 6 -5.870 2.692 7.288 1.00 0.00 H new ATOM 0 HD22 LEU A 6 -7.583 2.691 7.771 1.00 0.00 H new ATOM 0 HD23 LEU A 6 -7.112 2.085 6.165 1.00 0.00 H new ATOM 79 N LYS A 7 -6.935 7.086 4.487 1.00 0.00 N ATOM 80 CA LYS A 7 -6.130 7.607 3.333 1.00 0.00 C ATOM 81 C LYS A 7 -5.211 6.525 2.754 1.00 0.00 C ATOM 82 O LYS A 7 -4.566 5.788 3.479 1.00 0.00 O ATOM 83 CB LYS A 7 -5.278 8.785 3.812 1.00 0.00 C ATOM 84 CG LYS A 7 -6.068 10.089 3.647 1.00 0.00 C ATOM 85 CD LYS A 7 -5.574 11.133 4.658 1.00 0.00 C ATOM 86 CE LYS A 7 -5.944 10.714 6.088 1.00 0.00 C ATOM 87 NZ LYS A 7 -4.724 10.225 6.790 1.00 0.00 N ATOM 0 H LYS A 7 -6.606 7.374 5.408 1.00 0.00 H new ATOM 0 HA LYS A 7 -6.819 7.922 2.549 1.00 0.00 H new ATOM 0 HB2 LYS A 7 -5.000 8.645 4.857 1.00 0.00 H new ATOM 0 HB3 LYS A 7 -4.352 8.834 3.240 1.00 0.00 H new ATOM 0 HG2 LYS A 7 -5.950 10.469 2.632 1.00 0.00 H new ATOM 0 HG3 LYS A 7 -7.131 9.901 3.796 1.00 0.00 H new ATOM 0 HD2 LYS A 7 -4.493 11.246 4.574 1.00 0.00 H new ATOM 0 HD3 LYS A 7 -6.015 12.104 4.432 1.00 0.00 H new ATOM 0 HE2 LYS A 7 -6.374 11.559 6.627 1.00 0.00 H new ATOM 0 HE3 LYS A 7 -6.702 9.931 6.065 1.00 0.00 H new ATOM 0 HZ1 LYS A 7 -4.677 10.647 7.739 1.00 0.00 H new ATOM 0 HZ2 LYS A 7 -4.763 9.189 6.873 1.00 0.00 H new ATOM 0 HZ3 LYS A 7 -3.879 10.497 6.248 1.00 0.00 H new ATOM 101 N PHE A 8 -5.148 6.437 1.442 1.00 0.00 N ATOM 102 CA PHE A 8 -4.283 5.424 0.785 1.00 0.00 C ATOM 103 C PHE A 8 -3.375 6.089 -0.246 1.00 0.00 C ATOM 104 O PHE A 8 -3.776 7.006 -0.926 1.00 0.00 O ATOM 105 CB PHE A 8 -5.153 4.435 0.013 1.00 0.00 C ATOM 106 CG PHE A 8 -5.978 3.589 0.944 1.00 0.00 C ATOM 107 CD1 PHE A 8 -7.166 4.101 1.459 1.00 0.00 C ATOM 108 CD2 PHE A 8 -5.570 2.290 1.275 1.00 0.00 C ATOM 109 CE1 PHE A 8 -7.952 3.323 2.309 1.00 0.00 C ATOM 110 CE2 PHE A 8 -6.359 1.508 2.129 1.00 0.00 C ATOM 111 CZ PHE A 8 -7.551 2.026 2.645 1.00 0.00 C ATOM 0 H PHE A 8 -5.668 7.035 0.800 1.00 0.00 H new ATOM 0 HA PHE A 8 -3.698 4.930 1.561 1.00 0.00 H new ATOM 0 HB2 PHE A 8 -5.810 4.979 -0.666 1.00 0.00 H new ATOM 0 HB3 PHE A 8 -4.521 3.793 -0.601 1.00 0.00 H new ATOM 0 HD1 PHE A 8 -7.479 5.102 1.200 1.00 0.00 H new ATOM 0 HD2 PHE A 8 -4.650 1.893 0.873 1.00 0.00 H new ATOM 0 HE1 PHE A 8 -8.872 3.723 2.709 1.00 0.00 H new ATOM 0 HE2 PHE A 8 -6.047 0.507 2.388 1.00 0.00 H new ATOM 0 HZ PHE A 8 -8.162 1.425 3.303 1.00 0.00 H new ATOM 121 N LEU A 9 -2.174 5.591 -0.400 1.00 0.00 N ATOM 122 CA LEU A 9 -1.262 6.155 -1.444 1.00 0.00 C ATOM 123 C LEU A 9 -0.933 5.050 -2.450 1.00 0.00 C ATOM 124 O LEU A 9 -0.338 4.051 -2.101 1.00 0.00 O ATOM 125 CB LEU A 9 0.046 6.651 -0.826 1.00 0.00 C ATOM 126 CG LEU A 9 0.945 7.224 -1.931 1.00 0.00 C ATOM 127 CD1 LEU A 9 0.261 8.428 -2.583 1.00 0.00 C ATOM 128 CD2 LEU A 9 2.269 7.669 -1.328 1.00 0.00 C ATOM 0 H LEU A 9 -1.786 4.823 0.148 1.00 0.00 H new ATOM 0 HA LEU A 9 -1.762 6.995 -1.926 1.00 0.00 H new ATOM 0 HB2 LEU A 9 -0.160 7.415 -0.076 1.00 0.00 H new ATOM 0 HB3 LEU A 9 0.554 5.832 -0.316 1.00 0.00 H new ATOM 0 HG LEU A 9 1.122 6.455 -2.683 1.00 0.00 H new ATOM 0 HD11 LEU A 9 0.903 8.831 -3.366 1.00 0.00 H new ATOM 0 HD12 LEU A 9 -0.689 8.116 -3.017 1.00 0.00 H new ATOM 0 HD13 LEU A 9 0.081 9.196 -1.831 1.00 0.00 H new ATOM 0 HD21 LEU A 9 2.907 8.076 -2.112 1.00 0.00 H new ATOM 0 HD22 LEU A 9 2.086 8.435 -0.575 1.00 0.00 H new ATOM 0 HD23 LEU A 9 2.763 6.815 -0.865 1.00 0.00 H new ATOM 140 N VAL A 10 -1.294 5.226 -3.697 1.00 0.00 N ATOM 141 CA VAL A 10 -0.981 4.187 -4.717 1.00 0.00 C ATOM 142 C VAL A 10 0.193 4.661 -5.583 1.00 0.00 C ATOM 143 O VAL A 10 0.049 5.517 -6.437 1.00 0.00 O ATOM 144 CB VAL A 10 -2.215 3.942 -5.587 1.00 0.00 C ATOM 145 CG1 VAL A 10 -3.155 2.976 -4.868 1.00 0.00 C ATOM 146 CG2 VAL A 10 -2.944 5.261 -5.830 1.00 0.00 C ATOM 0 H VAL A 10 -1.791 6.044 -4.049 1.00 0.00 H new ATOM 0 HA VAL A 10 -0.704 3.255 -4.223 1.00 0.00 H new ATOM 0 HB VAL A 10 -1.905 3.517 -6.542 1.00 0.00 H new ATOM 0 HG11 VAL A 10 -4.036 2.799 -5.485 1.00 0.00 H new ATOM 0 HG12 VAL A 10 -2.640 2.032 -4.691 1.00 0.00 H new ATOM 0 HG13 VAL A 10 -3.460 3.407 -3.915 1.00 0.00 H new ATOM 0 HG21 VAL A 10 -3.822 5.082 -6.450 1.00 0.00 H new ATOM 0 HG22 VAL A 10 -3.254 5.687 -4.876 1.00 0.00 H new ATOM 0 HG23 VAL A 10 -2.277 5.957 -6.338 1.00 0.00 H new ATOM 156 N VAL A 11 1.360 4.111 -5.355 1.00 0.00 N ATOM 157 CA VAL A 11 2.552 4.513 -6.141 1.00 0.00 C ATOM 158 C VAL A 11 2.793 3.492 -7.257 1.00 0.00 C ATOM 159 O VAL A 11 3.063 2.335 -7.002 1.00 0.00 O ATOM 160 CB VAL A 11 3.778 4.563 -5.220 1.00 0.00 C ATOM 161 CG1 VAL A 11 4.996 5.081 -5.994 1.00 0.00 C ATOM 162 CG2 VAL A 11 3.490 5.495 -4.044 1.00 0.00 C ATOM 0 H VAL A 11 1.533 3.395 -4.650 1.00 0.00 H new ATOM 0 HA VAL A 11 2.386 5.498 -6.578 1.00 0.00 H new ATOM 0 HB VAL A 11 3.990 3.559 -4.852 1.00 0.00 H new ATOM 0 HG11 VAL A 11 5.861 5.113 -5.332 1.00 0.00 H new ATOM 0 HG12 VAL A 11 5.205 4.416 -6.832 1.00 0.00 H new ATOM 0 HG13 VAL A 11 4.789 6.083 -6.369 1.00 0.00 H new ATOM 0 HG21 VAL A 11 4.360 5.532 -3.388 1.00 0.00 H new ATOM 0 HG22 VAL A 11 3.274 6.496 -4.417 1.00 0.00 H new ATOM 0 HG23 VAL A 11 2.631 5.122 -3.486 1.00 0.00 H new ATOM 172 N ASP A 12 2.697 3.907 -8.490 1.00 0.00 N ATOM 173 CA ASP A 12 2.921 2.954 -9.613 1.00 0.00 C ATOM 174 C ASP A 12 3.538 3.693 -10.802 1.00 0.00 C ATOM 175 O ASP A 12 3.750 4.889 -10.755 1.00 0.00 O ATOM 176 CB ASP A 12 1.584 2.340 -10.035 1.00 0.00 C ATOM 177 CG ASP A 12 1.637 0.823 -9.847 1.00 0.00 C ATOM 178 OD1 ASP A 12 2.542 0.210 -10.388 1.00 0.00 O ATOM 179 OD2 ASP A 12 0.771 0.300 -9.166 1.00 0.00 O ATOM 0 H ASP A 12 2.474 4.863 -8.768 1.00 0.00 H new ATOM 0 HA ASP A 12 3.599 2.166 -9.286 1.00 0.00 H new ATOM 0 HB2 ASP A 12 0.774 2.763 -9.441 1.00 0.00 H new ATOM 0 HB3 ASP A 12 1.374 2.581 -11.077 1.00 0.00 H new ATOM 184 N ASP A 13 3.826 2.982 -11.863 1.00 0.00 N ATOM 185 CA ASP A 13 4.431 3.622 -13.069 1.00 0.00 C ATOM 186 C ASP A 13 3.492 3.440 -14.263 1.00 0.00 C ATOM 187 O ASP A 13 3.866 3.655 -15.399 1.00 0.00 O ATOM 188 CB ASP A 13 5.775 2.956 -13.374 1.00 0.00 C ATOM 189 CG ASP A 13 5.572 1.449 -13.544 1.00 0.00 C ATOM 190 OD1 ASP A 13 4.462 0.993 -13.329 1.00 0.00 O ATOM 191 OD2 ASP A 13 6.531 0.777 -13.888 1.00 0.00 O ATOM 0 H ASP A 13 3.666 1.978 -11.945 1.00 0.00 H new ATOM 0 HA ASP A 13 4.583 4.685 -12.883 1.00 0.00 H new ATOM 0 HB2 ASP A 13 6.205 3.380 -14.281 1.00 0.00 H new ATOM 0 HB3 ASP A 13 6.480 3.150 -12.566 1.00 0.00 H new ATOM 196 N PHE A 14 2.273 3.045 -14.014 1.00 0.00 N ATOM 197 CA PHE A 14 1.309 2.849 -15.133 1.00 0.00 C ATOM 198 C PHE A 14 0.651 4.190 -15.474 1.00 0.00 C ATOM 199 O PHE A 14 1.147 5.240 -15.119 1.00 0.00 O ATOM 200 CB PHE A 14 0.238 1.836 -14.707 1.00 0.00 C ATOM 201 CG PHE A 14 0.169 0.708 -15.713 1.00 0.00 C ATOM 202 CD1 PHE A 14 0.005 0.990 -17.077 1.00 0.00 C ATOM 203 CD2 PHE A 14 0.266 -0.622 -15.282 1.00 0.00 C ATOM 204 CE1 PHE A 14 -0.061 -0.056 -18.005 1.00 0.00 C ATOM 205 CE2 PHE A 14 0.200 -1.666 -16.212 1.00 0.00 C ATOM 206 CZ PHE A 14 0.036 -1.383 -17.572 1.00 0.00 C ATOM 0 H PHE A 14 1.903 2.850 -13.084 1.00 0.00 H new ATOM 0 HA PHE A 14 1.832 2.471 -16.011 1.00 0.00 H new ATOM 0 HB2 PHE A 14 0.472 1.440 -13.719 1.00 0.00 H new ATOM 0 HB3 PHE A 14 -0.732 2.328 -14.632 1.00 0.00 H new ATOM 0 HD1 PHE A 14 -0.070 2.014 -17.411 1.00 0.00 H new ATOM 0 HD2 PHE A 14 0.392 -0.841 -14.232 1.00 0.00 H new ATOM 0 HE1 PHE A 14 -0.187 0.161 -19.055 1.00 0.00 H new ATOM 0 HE2 PHE A 14 0.276 -2.691 -15.879 1.00 0.00 H new ATOM 0 HZ PHE A 14 -0.016 -2.189 -18.288 1.00 0.00 H new ATOM 216 N SER A 15 -0.462 4.159 -16.161 1.00 0.00 N ATOM 217 CA SER A 15 -1.159 5.425 -16.527 1.00 0.00 C ATOM 218 C SER A 15 -2.666 5.237 -16.346 1.00 0.00 C ATOM 219 O SER A 15 -3.447 6.141 -16.571 1.00 0.00 O ATOM 220 CB SER A 15 -0.859 5.769 -17.986 1.00 0.00 C ATOM 221 OG SER A 15 -0.520 7.146 -18.083 1.00 0.00 O ATOM 0 H SER A 15 -0.919 3.306 -16.485 1.00 0.00 H new ATOM 0 HA SER A 15 -0.810 6.235 -15.887 1.00 0.00 H new ATOM 0 HB2 SER A 15 -0.039 5.154 -18.356 1.00 0.00 H new ATOM 0 HB3 SER A 15 -1.727 5.551 -18.609 1.00 0.00 H new ATOM 0 HG SER A 15 -0.325 7.370 -19.017 1.00 0.00 H new ATOM 227 N THR A 16 -3.078 4.068 -15.940 1.00 0.00 N ATOM 228 CA THR A 16 -4.531 3.813 -15.740 1.00 0.00 C ATOM 229 C THR A 16 -4.715 2.835 -14.577 1.00 0.00 C ATOM 230 O THR A 16 -5.814 2.429 -14.261 1.00 0.00 O ATOM 231 CB THR A 16 -5.123 3.209 -17.014 1.00 0.00 C ATOM 232 OG1 THR A 16 -6.134 2.272 -16.667 1.00 0.00 O ATOM 233 CG2 THR A 16 -4.021 2.504 -17.806 1.00 0.00 C ATOM 0 H THR A 16 -2.468 3.276 -15.738 1.00 0.00 H new ATOM 0 HA THR A 16 -5.040 4.750 -15.514 1.00 0.00 H new ATOM 0 HB THR A 16 -5.556 4.001 -17.625 1.00 0.00 H new ATOM 0 HG1 THR A 16 -6.607 2.583 -15.867 1.00 0.00 H new ATOM 0 HG21 THR A 16 -4.444 2.074 -18.714 1.00 0.00 H new ATOM 0 HG22 THR A 16 -3.247 3.224 -18.072 1.00 0.00 H new ATOM 0 HG23 THR A 16 -3.586 1.711 -17.197 1.00 0.00 H new ATOM 241 N MET A 17 -3.641 2.454 -13.941 1.00 0.00 N ATOM 242 CA MET A 17 -3.743 1.503 -12.801 1.00 0.00 C ATOM 243 C MET A 17 -4.297 2.233 -11.574 1.00 0.00 C ATOM 244 O MET A 17 -5.168 1.741 -10.886 1.00 0.00 O ATOM 245 CB MET A 17 -2.355 0.943 -12.480 1.00 0.00 C ATOM 246 CG MET A 17 -2.428 0.090 -11.213 1.00 0.00 C ATOM 247 SD MET A 17 -1.208 -1.243 -11.312 1.00 0.00 S ATOM 248 CE MET A 17 -2.221 -2.534 -10.548 1.00 0.00 C ATOM 0 H MET A 17 -2.695 2.762 -14.164 1.00 0.00 H new ATOM 0 HA MET A 17 -4.412 0.685 -13.068 1.00 0.00 H new ATOM 0 HB2 MET A 17 -1.992 0.343 -13.314 1.00 0.00 H new ATOM 0 HB3 MET A 17 -1.646 1.759 -12.341 1.00 0.00 H new ATOM 0 HG2 MET A 17 -2.238 0.707 -10.335 1.00 0.00 H new ATOM 0 HG3 MET A 17 -3.429 -0.326 -11.099 1.00 0.00 H new ATOM 0 HE1 MET A 17 -1.654 -3.464 -10.506 1.00 0.00 H new ATOM 0 HE2 MET A 17 -2.496 -2.230 -9.538 1.00 0.00 H new ATOM 0 HE3 MET A 17 -3.124 -2.686 -11.140 1.00 0.00 H new ATOM 258 N ARG A 18 -3.793 3.401 -11.292 1.00 0.00 N ATOM 259 CA ARG A 18 -4.287 4.161 -10.108 1.00 0.00 C ATOM 260 C ARG A 18 -5.799 4.368 -10.229 1.00 0.00 C ATOM 261 O ARG A 18 -6.498 4.503 -9.245 1.00 0.00 O ATOM 262 CB ARG A 18 -3.591 5.525 -10.041 1.00 0.00 C ATOM 263 CG ARG A 18 -2.111 5.380 -10.408 1.00 0.00 C ATOM 264 CD ARG A 18 -1.875 5.904 -11.828 1.00 0.00 C ATOM 265 NE ARG A 18 -2.967 5.434 -12.729 1.00 0.00 N ATOM 266 CZ ARG A 18 -3.737 6.302 -13.328 1.00 0.00 C ATOM 267 NH1 ARG A 18 -3.265 7.028 -14.304 1.00 0.00 N ATOM 268 NH2 ARG A 18 -4.978 6.443 -12.952 1.00 0.00 N ATOM 0 H ARG A 18 -3.060 3.864 -11.830 1.00 0.00 H new ATOM 0 HA ARG A 18 -4.066 3.598 -9.201 1.00 0.00 H new ATOM 0 HB2 ARG A 18 -4.076 6.223 -10.723 1.00 0.00 H new ATOM 0 HB3 ARG A 18 -3.686 5.941 -9.038 1.00 0.00 H new ATOM 0 HG2 ARG A 18 -1.495 5.934 -9.699 1.00 0.00 H new ATOM 0 HG3 ARG A 18 -1.811 4.334 -10.342 1.00 0.00 H new ATOM 0 HD2 ARG A 18 -1.840 6.993 -11.822 1.00 0.00 H new ATOM 0 HD3 ARG A 18 -0.911 5.556 -12.198 1.00 0.00 H new ATOM 0 HE ARG A 18 -3.112 4.435 -12.877 1.00 0.00 H new ATOM 0 HH11 ARG A 18 -2.295 6.917 -14.599 1.00 0.00 H new ATOM 0 HH12 ARG A 18 -3.866 7.706 -14.772 1.00 0.00 H new ATOM 0 HH21 ARG A 18 -5.348 5.875 -12.190 1.00 0.00 H new ATOM 0 HH22 ARG A 18 -5.579 7.121 -13.420 1.00 0.00 H new ATOM 282 N ARG A 19 -6.309 4.395 -11.431 1.00 0.00 N ATOM 283 CA ARG A 19 -7.776 4.595 -11.614 1.00 0.00 C ATOM 284 C ARG A 19 -8.519 3.318 -11.213 1.00 0.00 C ATOM 285 O ARG A 19 -9.640 3.363 -10.743 1.00 0.00 O ATOM 286 CB ARG A 19 -8.068 4.913 -13.083 1.00 0.00 C ATOM 287 CG ARG A 19 -8.061 6.429 -13.297 1.00 0.00 C ATOM 288 CD ARG A 19 -9.455 6.993 -13.014 1.00 0.00 C ATOM 289 NE ARG A 19 -9.441 8.471 -13.202 1.00 0.00 N ATOM 290 CZ ARG A 19 -10.359 9.209 -12.640 1.00 0.00 C ATOM 291 NH1 ARG A 19 -11.536 8.706 -12.387 1.00 0.00 N ATOM 292 NH2 ARG A 19 -10.098 10.450 -12.331 1.00 0.00 N ATOM 0 H ARG A 19 -5.774 4.287 -12.293 1.00 0.00 H new ATOM 0 HA ARG A 19 -8.110 5.423 -10.988 1.00 0.00 H new ATOM 0 HB2 ARG A 19 -7.320 4.443 -13.722 1.00 0.00 H new ATOM 0 HB3 ARG A 19 -9.036 4.501 -13.368 1.00 0.00 H new ATOM 0 HG2 ARG A 19 -7.328 6.896 -12.639 1.00 0.00 H new ATOM 0 HG3 ARG A 19 -7.764 6.661 -14.320 1.00 0.00 H new ATOM 0 HD2 ARG A 19 -10.186 6.538 -13.682 1.00 0.00 H new ATOM 0 HD3 ARG A 19 -9.758 6.748 -11.996 1.00 0.00 H new ATOM 0 HE ARG A 19 -8.714 8.906 -13.770 1.00 0.00 H new ATOM 0 HH11 ARG A 19 -11.739 7.736 -12.628 1.00 0.00 H new ATOM 0 HH12 ARG A 19 -12.253 9.283 -11.948 1.00 0.00 H new ATOM 0 HH21 ARG A 19 -9.177 10.842 -12.529 1.00 0.00 H new ATOM 0 HH22 ARG A 19 -10.815 11.028 -11.892 1.00 0.00 H new ATOM 306 N ILE A 20 -7.907 2.182 -11.398 1.00 0.00 N ATOM 307 CA ILE A 20 -8.579 0.902 -11.030 1.00 0.00 C ATOM 308 C ILE A 20 -8.794 0.852 -9.516 1.00 0.00 C ATOM 309 O ILE A 20 -9.892 0.640 -9.042 1.00 0.00 O ATOM 310 CB ILE A 20 -7.699 -0.275 -11.474 1.00 0.00 C ATOM 311 CG1 ILE A 20 -8.105 -0.702 -12.888 1.00 0.00 C ATOM 312 CG2 ILE A 20 -7.873 -1.463 -10.519 1.00 0.00 C ATOM 313 CD1 ILE A 20 -6.936 -1.426 -13.559 1.00 0.00 C ATOM 0 H ILE A 20 -6.970 2.083 -11.788 1.00 0.00 H new ATOM 0 HA ILE A 20 -9.547 0.838 -11.527 1.00 0.00 H new ATOM 0 HB ILE A 20 -6.655 0.039 -11.462 1.00 0.00 H new ATOM 0 HG12 ILE A 20 -8.976 -1.357 -12.846 1.00 0.00 H new ATOM 0 HG13 ILE A 20 -8.391 0.171 -13.475 1.00 0.00 H new ATOM 0 HG21 ILE A 20 -7.243 -2.289 -10.847 1.00 0.00 H new ATOM 0 HG22 ILE A 20 -7.584 -1.165 -9.511 1.00 0.00 H new ATOM 0 HG23 ILE A 20 -8.916 -1.780 -10.519 1.00 0.00 H new ATOM 0 HD11 ILE A 20 -7.225 -1.730 -14.565 1.00 0.00 H new ATOM 0 HD12 ILE A 20 -6.077 -0.757 -13.615 1.00 0.00 H new ATOM 0 HD13 ILE A 20 -6.671 -2.308 -12.976 1.00 0.00 H new ATOM 325 N VAL A 21 -7.752 1.032 -8.752 1.00 0.00 N ATOM 326 CA VAL A 21 -7.901 0.978 -7.270 1.00 0.00 C ATOM 327 C VAL A 21 -8.846 2.088 -6.799 1.00 0.00 C ATOM 328 O VAL A 21 -9.607 1.913 -5.868 1.00 0.00 O ATOM 329 CB VAL A 21 -6.535 1.145 -6.603 1.00 0.00 C ATOM 330 CG1 VAL A 21 -6.133 -0.176 -5.946 1.00 0.00 C ATOM 331 CG2 VAL A 21 -5.491 1.525 -7.655 1.00 0.00 C ATOM 0 H VAL A 21 -6.806 1.214 -9.088 1.00 0.00 H new ATOM 0 HA VAL A 21 -8.319 0.011 -6.991 1.00 0.00 H new ATOM 0 HB VAL A 21 -6.591 1.931 -5.850 1.00 0.00 H new ATOM 0 HG11 VAL A 21 -5.160 -0.063 -5.469 1.00 0.00 H new ATOM 0 HG12 VAL A 21 -6.875 -0.450 -5.196 1.00 0.00 H new ATOM 0 HG13 VAL A 21 -6.077 -0.957 -6.704 1.00 0.00 H new ATOM 0 HG21 VAL A 21 -4.519 1.643 -7.177 1.00 0.00 H new ATOM 0 HG22 VAL A 21 -5.431 0.740 -8.409 1.00 0.00 H new ATOM 0 HG23 VAL A 21 -5.778 2.463 -8.130 1.00 0.00 H new ATOM 341 N ARG A 22 -8.805 3.227 -7.433 1.00 0.00 N ATOM 342 CA ARG A 22 -9.702 4.346 -7.022 1.00 0.00 C ATOM 343 C ARG A 22 -11.126 3.822 -6.832 1.00 0.00 C ATOM 344 O ARG A 22 -11.732 3.989 -5.792 1.00 0.00 O ATOM 345 CB ARG A 22 -9.711 5.412 -8.119 1.00 0.00 C ATOM 346 CG ARG A 22 -8.880 6.618 -7.677 1.00 0.00 C ATOM 347 CD ARG A 22 -8.871 7.663 -8.794 1.00 0.00 C ATOM 348 NE ARG A 22 -8.596 9.007 -8.217 1.00 0.00 N ATOM 349 CZ ARG A 22 -7.375 9.468 -8.191 1.00 0.00 C ATOM 350 NH1 ARG A 22 -6.399 8.699 -7.794 1.00 0.00 N ATOM 351 NH2 ARG A 22 -7.132 10.695 -8.561 1.00 0.00 N ATOM 0 H ARG A 22 -8.189 3.432 -8.219 1.00 0.00 H new ATOM 0 HA ARG A 22 -9.340 4.772 -6.086 1.00 0.00 H new ATOM 0 HB2 ARG A 22 -9.306 4.999 -9.043 1.00 0.00 H new ATOM 0 HB3 ARG A 22 -10.735 5.722 -8.329 1.00 0.00 H new ATOM 0 HG2 ARG A 22 -9.297 7.047 -6.766 1.00 0.00 H new ATOM 0 HG3 ARG A 22 -7.861 6.307 -7.446 1.00 0.00 H new ATOM 0 HD2 ARG A 22 -8.112 7.412 -9.535 1.00 0.00 H new ATOM 0 HD3 ARG A 22 -9.831 7.667 -9.310 1.00 0.00 H new ATOM 0 HE ARG A 22 -9.361 9.568 -7.842 1.00 0.00 H new ATOM 0 HH11 ARG A 22 -6.591 7.740 -7.505 1.00 0.00 H new ATOM 0 HH12 ARG A 22 -5.444 9.057 -7.773 1.00 0.00 H new ATOM 0 HH21 ARG A 22 -7.896 11.295 -8.871 1.00 0.00 H new ATOM 0 HH22 ARG A 22 -6.178 11.054 -8.540 1.00 0.00 H new ATOM 365 N ASN A 23 -11.663 3.190 -7.838 1.00 0.00 N ATOM 366 CA ASN A 23 -13.036 2.651 -7.751 1.00 0.00 C ATOM 367 C ASN A 23 -13.076 1.535 -6.724 1.00 0.00 C ATOM 368 O ASN A 23 -13.817 1.581 -5.766 1.00 0.00 O ATOM 369 CB ASN A 23 -13.376 2.070 -9.110 1.00 0.00 C ATOM 370 CG ASN A 23 -14.792 2.480 -9.517 1.00 0.00 C ATOM 371 OD1 ASN A 23 -15.164 3.630 -9.393 1.00 0.00 O ATOM 372 ND2 ASN A 23 -15.604 1.580 -10.002 1.00 0.00 N ATOM 0 H ASN A 23 -11.195 3.025 -8.729 1.00 0.00 H new ATOM 0 HA ASN A 23 -13.739 3.432 -7.463 1.00 0.00 H new ATOM 0 HB2 ASN A 23 -12.660 2.420 -9.853 1.00 0.00 H new ATOM 0 HB3 ASN A 23 -13.298 0.983 -9.079 1.00 0.00 H new ATOM 0 HD21 ASN A 23 -16.551 1.842 -10.277 1.00 0.00 H new ATOM 0 HD22 ASN A 23 -15.292 0.615 -10.106 1.00 0.00 H new ATOM 379 N LEU A 24 -12.277 0.530 -6.945 1.00 0.00 N ATOM 380 CA LEU A 24 -12.223 -0.638 -6.018 1.00 0.00 C ATOM 381 C LEU A 24 -12.377 -0.165 -4.569 1.00 0.00 C ATOM 382 O LEU A 24 -13.350 -0.465 -3.907 1.00 0.00 O ATOM 383 CB LEU A 24 -10.866 -1.316 -6.187 1.00 0.00 C ATOM 384 CG LEU A 24 -10.861 -2.695 -5.499 1.00 0.00 C ATOM 385 CD1 LEU A 24 -10.599 -3.779 -6.547 1.00 0.00 C ATOM 386 CD2 LEU A 24 -9.769 -2.779 -4.418 1.00 0.00 C ATOM 0 H LEU A 24 -11.646 0.466 -7.744 1.00 0.00 H new ATOM 0 HA LEU A 24 -13.031 -1.333 -6.248 1.00 0.00 H new ATOM 0 HB2 LEU A 24 -10.640 -1.431 -7.247 1.00 0.00 H new ATOM 0 HB3 LEU A 24 -10.084 -0.688 -5.761 1.00 0.00 H new ATOM 0 HG LEU A 24 -11.832 -2.841 -5.025 1.00 0.00 H new ATOM 0 HD11 LEU A 24 -10.594 -4.757 -6.066 1.00 0.00 H new ATOM 0 HD12 LEU A 24 -11.383 -3.751 -7.304 1.00 0.00 H new ATOM 0 HD13 LEU A 24 -9.633 -3.603 -7.019 1.00 0.00 H new ATOM 0 HD21 LEU A 24 -9.793 -3.764 -3.952 1.00 0.00 H new ATOM 0 HD22 LEU A 24 -8.792 -2.617 -4.874 1.00 0.00 H new ATOM 0 HD23 LEU A 24 -9.947 -2.016 -3.661 1.00 0.00 H new ATOM 398 N LEU A 25 -11.426 0.582 -4.074 1.00 0.00 N ATOM 399 CA LEU A 25 -11.521 1.083 -2.673 1.00 0.00 C ATOM 400 C LEU A 25 -12.896 1.718 -2.459 1.00 0.00 C ATOM 401 O LEU A 25 -13.557 1.470 -1.472 1.00 0.00 O ATOM 402 CB LEU A 25 -10.426 2.124 -2.430 1.00 0.00 C ATOM 403 CG LEU A 25 -9.164 1.430 -1.917 1.00 0.00 C ATOM 404 CD1 LEU A 25 -7.942 2.289 -2.242 1.00 0.00 C ATOM 405 CD2 LEU A 25 -9.265 1.243 -0.401 1.00 0.00 C ATOM 0 H LEU A 25 -10.587 0.867 -4.580 1.00 0.00 H new ATOM 0 HA LEU A 25 -11.391 0.256 -1.975 1.00 0.00 H new ATOM 0 HB2 LEU A 25 -10.208 2.660 -3.354 1.00 0.00 H new ATOM 0 HB3 LEU A 25 -10.767 2.863 -1.705 1.00 0.00 H new ATOM 0 HG LEU A 25 -9.064 0.457 -2.398 1.00 0.00 H new ATOM 0 HD11 LEU A 25 -7.042 1.795 -1.876 1.00 0.00 H new ATOM 0 HD12 LEU A 25 -7.869 2.424 -3.321 1.00 0.00 H new ATOM 0 HD13 LEU A 25 -8.043 3.262 -1.761 1.00 0.00 H new ATOM 0 HD21 LEU A 25 -8.365 0.748 -0.035 1.00 0.00 H new ATOM 0 HD22 LEU A 25 -9.365 2.216 0.080 1.00 0.00 H new ATOM 0 HD23 LEU A 25 -10.136 0.631 -0.167 1.00 0.00 H new ATOM 417 N LYS A 26 -13.334 2.534 -3.379 1.00 0.00 N ATOM 418 CA LYS A 26 -14.663 3.177 -3.224 1.00 0.00 C ATOM 419 C LYS A 26 -15.741 2.096 -3.114 1.00 0.00 C ATOM 420 O LYS A 26 -16.686 2.220 -2.361 1.00 0.00 O ATOM 421 CB LYS A 26 -14.947 4.064 -4.438 1.00 0.00 C ATOM 422 CG LYS A 26 -15.638 5.350 -3.984 1.00 0.00 C ATOM 423 CD LYS A 26 -15.937 6.226 -5.202 1.00 0.00 C ATOM 424 CE LYS A 26 -17.447 6.406 -5.345 1.00 0.00 C ATOM 425 NZ LYS A 26 -18.084 5.081 -5.589 1.00 0.00 N ATOM 0 H LYS A 26 -12.827 2.781 -4.229 1.00 0.00 H new ATOM 0 HA LYS A 26 -14.669 3.788 -2.322 1.00 0.00 H new ATOM 0 HB2 LYS A 26 -14.016 4.302 -4.953 1.00 0.00 H new ATOM 0 HB3 LYS A 26 -15.578 3.532 -5.150 1.00 0.00 H new ATOM 0 HG2 LYS A 26 -16.563 5.112 -3.458 1.00 0.00 H new ATOM 0 HG3 LYS A 26 -15.002 5.889 -3.282 1.00 0.00 H new ATOM 0 HD2 LYS A 26 -15.454 7.197 -5.092 1.00 0.00 H new ATOM 0 HD3 LYS A 26 -15.528 5.767 -6.102 1.00 0.00 H new ATOM 0 HE2 LYS A 26 -17.857 6.858 -4.442 1.00 0.00 H new ATOM 0 HE3 LYS A 26 -17.667 7.085 -6.169 1.00 0.00 H new ATOM 0 HZ1 LYS A 26 -18.968 5.213 -6.121 1.00 0.00 H new ATOM 0 HZ2 LYS A 26 -17.436 4.480 -6.138 1.00 0.00 H new ATOM 0 HZ3 LYS A 26 -18.293 4.623 -4.679 1.00 0.00 H new ATOM 439 N GLU A 27 -15.604 1.037 -3.862 1.00 0.00 N ATOM 440 CA GLU A 27 -16.610 -0.053 -3.807 1.00 0.00 C ATOM 441 C GLU A 27 -16.807 -0.487 -2.356 1.00 0.00 C ATOM 442 O GLU A 27 -17.913 -0.721 -1.911 1.00 0.00 O ATOM 443 CB GLU A 27 -16.120 -1.243 -4.636 1.00 0.00 C ATOM 444 CG GLU A 27 -17.295 -2.172 -4.946 1.00 0.00 C ATOM 445 CD GLU A 27 -16.837 -3.628 -4.847 1.00 0.00 C ATOM 446 OE1 GLU A 27 -16.797 -4.141 -3.741 1.00 0.00 O ATOM 447 OE2 GLU A 27 -16.533 -4.203 -5.878 1.00 0.00 O ATOM 0 H GLU A 27 -14.833 0.881 -4.512 1.00 0.00 H new ATOM 0 HA GLU A 27 -17.557 0.304 -4.212 1.00 0.00 H new ATOM 0 HB2 GLU A 27 -15.667 -0.891 -5.563 1.00 0.00 H new ATOM 0 HB3 GLU A 27 -15.348 -1.786 -4.090 1.00 0.00 H new ATOM 0 HG2 GLU A 27 -18.111 -1.988 -4.247 1.00 0.00 H new ATOM 0 HG3 GLU A 27 -17.679 -1.968 -5.945 1.00 0.00 H new ATOM 454 N LEU A 28 -15.741 -0.592 -1.615 1.00 0.00 N ATOM 455 CA LEU A 28 -15.864 -1.007 -0.191 1.00 0.00 C ATOM 456 C LEU A 28 -16.501 0.128 0.608 1.00 0.00 C ATOM 457 O LEU A 28 -17.563 -0.020 1.178 1.00 0.00 O ATOM 458 CB LEU A 28 -14.474 -1.317 0.374 1.00 0.00 C ATOM 459 CG LEU A 28 -14.268 -2.834 0.452 1.00 0.00 C ATOM 460 CD1 LEU A 28 -15.197 -3.434 1.513 1.00 0.00 C ATOM 461 CD2 LEU A 28 -14.578 -3.463 -0.910 1.00 0.00 C ATOM 0 H LEU A 28 -14.790 -0.408 -1.934 1.00 0.00 H new ATOM 0 HA LEU A 28 -16.487 -1.899 -0.120 1.00 0.00 H new ATOM 0 HB2 LEU A 28 -13.707 -0.869 -0.258 1.00 0.00 H new ATOM 0 HB3 LEU A 28 -14.368 -0.876 1.365 1.00 0.00 H new ATOM 0 HG LEU A 28 -13.233 -3.040 0.724 1.00 0.00 H new ATOM 0 HD11 LEU A 28 -15.045 -4.512 1.562 1.00 0.00 H new ATOM 0 HD12 LEU A 28 -14.974 -2.991 2.484 1.00 0.00 H new ATOM 0 HD13 LEU A 28 -16.234 -3.226 1.249 1.00 0.00 H new ATOM 0 HD21 LEU A 28 -14.431 -4.542 -0.854 1.00 0.00 H new ATOM 0 HD22 LEU A 28 -15.612 -3.251 -1.182 1.00 0.00 H new ATOM 0 HD23 LEU A 28 -13.911 -3.045 -1.664 1.00 0.00 H new ATOM 473 N GLY A 29 -15.862 1.261 0.651 1.00 0.00 N ATOM 474 CA GLY A 29 -16.427 2.400 1.407 1.00 0.00 C ATOM 475 C GLY A 29 -15.320 3.392 1.768 1.00 0.00 C ATOM 476 O GLY A 29 -15.272 3.892 2.869 1.00 0.00 O ATOM 0 H GLY A 29 -14.970 1.444 0.192 1.00 0.00 H new ATOM 0 HA2 GLY A 29 -17.192 2.898 0.812 1.00 0.00 H new ATOM 0 HA3 GLY A 29 -16.913 2.040 2.314 1.00 0.00 H new ATOM 480 N PHE A 30 -14.436 3.679 0.850 1.00 0.00 N ATOM 481 CA PHE A 30 -13.331 4.647 1.138 1.00 0.00 C ATOM 482 C PHE A 30 -13.336 5.745 0.068 1.00 0.00 C ATOM 483 O PHE A 30 -13.731 5.519 -1.058 1.00 0.00 O ATOM 484 CB PHE A 30 -11.985 3.914 1.102 1.00 0.00 C ATOM 485 CG PHE A 30 -11.897 2.940 2.246 1.00 0.00 C ATOM 486 CD1 PHE A 30 -12.396 1.642 2.102 1.00 0.00 C ATOM 487 CD2 PHE A 30 -11.307 3.333 3.442 1.00 0.00 C ATOM 488 CE1 PHE A 30 -12.301 0.736 3.164 1.00 0.00 C ATOM 489 CE2 PHE A 30 -11.208 2.432 4.507 1.00 0.00 C ATOM 490 CZ PHE A 30 -11.706 1.131 4.367 1.00 0.00 C ATOM 0 H PHE A 30 -14.429 3.285 -0.091 1.00 0.00 H new ATOM 0 HA PHE A 30 -13.478 5.088 2.124 1.00 0.00 H new ATOM 0 HB2 PHE A 30 -11.875 3.386 0.155 1.00 0.00 H new ATOM 0 HB3 PHE A 30 -11.168 4.633 1.163 1.00 0.00 H new ATOM 0 HD1 PHE A 30 -12.854 1.339 1.172 1.00 0.00 H new ATOM 0 HD2 PHE A 30 -10.924 4.337 3.549 1.00 0.00 H new ATOM 0 HE1 PHE A 30 -12.687 -0.267 3.055 1.00 0.00 H new ATOM 0 HE2 PHE A 30 -10.749 2.739 5.435 1.00 0.00 H new ATOM 0 HZ PHE A 30 -11.631 0.433 5.187 1.00 0.00 H new ATOM 500 N ASN A 31 -12.908 6.934 0.403 1.00 0.00 N ATOM 501 CA ASN A 31 -12.903 8.029 -0.611 1.00 0.00 C ATOM 502 C ASN A 31 -11.770 9.018 -0.323 1.00 0.00 C ATOM 503 O ASN A 31 -12.005 10.160 0.022 1.00 0.00 O ATOM 504 CB ASN A 31 -14.242 8.768 -0.568 1.00 0.00 C ATOM 505 CG ASN A 31 -14.366 9.669 -1.797 1.00 0.00 C ATOM 506 OD1 ASN A 31 -14.013 10.830 -1.751 1.00 0.00 O ATOM 507 ND2 ASN A 31 -14.855 9.179 -2.903 1.00 0.00 N ATOM 0 H ASN A 31 -12.564 7.193 1.328 1.00 0.00 H new ATOM 0 HA ASN A 31 -12.750 7.593 -1.598 1.00 0.00 H new ATOM 0 HB2 ASN A 31 -15.064 8.052 -0.544 1.00 0.00 H new ATOM 0 HB3 ASN A 31 -14.312 9.364 0.342 1.00 0.00 H new ATOM 0 HD21 ASN A 31 -14.941 9.771 -3.729 1.00 0.00 H new ATOM 0 HD22 ASN A 31 -15.151 8.204 -2.942 1.00 0.00 H new ATOM 514 N ASN A 32 -10.542 8.598 -0.471 1.00 0.00 N ATOM 515 CA ASN A 32 -9.399 9.521 -0.214 1.00 0.00 C ATOM 516 C ASN A 32 -8.091 8.817 -0.589 1.00 0.00 C ATOM 517 O ASN A 32 -7.550 8.039 0.173 1.00 0.00 O ATOM 518 CB ASN A 32 -9.370 9.915 1.268 1.00 0.00 C ATOM 519 CG ASN A 32 -9.081 11.411 1.393 1.00 0.00 C ATOM 520 OD1 ASN A 32 -9.759 12.115 2.115 1.00 0.00 O ATOM 521 ND2 ASN A 32 -8.094 11.932 0.715 1.00 0.00 N ATOM 0 H ASN A 32 -10.281 7.655 -0.759 1.00 0.00 H new ATOM 0 HA ASN A 32 -9.516 10.422 -0.816 1.00 0.00 H new ATOM 0 HB2 ASN A 32 -10.325 9.678 1.737 1.00 0.00 H new ATOM 0 HB3 ASN A 32 -8.606 9.341 1.793 1.00 0.00 H new ATOM 0 HD21 ASN A 32 -7.893 12.929 0.792 1.00 0.00 H new ATOM 0 HD22 ASN A 32 -7.524 11.342 0.109 1.00 0.00 H new ATOM 528 N VAL A 33 -7.580 9.073 -1.764 1.00 0.00 N ATOM 529 CA VAL A 33 -6.314 8.404 -2.178 1.00 0.00 C ATOM 530 C VAL A 33 -5.530 9.306 -3.136 1.00 0.00 C ATOM 531 O VAL A 33 -6.102 10.105 -3.850 1.00 0.00 O ATOM 532 CB VAL A 33 -6.653 7.088 -2.882 1.00 0.00 C ATOM 533 CG1 VAL A 33 -7.820 7.313 -3.843 1.00 0.00 C ATOM 534 CG2 VAL A 33 -5.437 6.593 -3.671 1.00 0.00 C ATOM 0 H VAL A 33 -7.982 9.712 -2.450 1.00 0.00 H new ATOM 0 HA VAL A 33 -5.704 8.210 -1.296 1.00 0.00 H new ATOM 0 HB VAL A 33 -6.928 6.342 -2.136 1.00 0.00 H new ATOM 0 HG11 VAL A 33 -8.063 6.377 -4.346 1.00 0.00 H new ATOM 0 HG12 VAL A 33 -8.689 7.662 -3.285 1.00 0.00 H new ATOM 0 HG13 VAL A 33 -7.541 8.061 -4.585 1.00 0.00 H new ATOM 0 HG21 VAL A 33 -5.684 5.656 -4.170 1.00 0.00 H new ATOM 0 HG22 VAL A 33 -5.159 7.338 -4.416 1.00 0.00 H new ATOM 0 HG23 VAL A 33 -4.602 6.432 -2.989 1.00 0.00 H new ATOM 544 N GLU A 34 -4.223 9.171 -3.162 1.00 0.00 N ATOM 545 CA GLU A 34 -3.392 10.002 -4.080 1.00 0.00 C ATOM 546 C GLU A 34 -2.550 9.073 -4.946 1.00 0.00 C ATOM 547 O GLU A 34 -2.780 7.884 -4.991 1.00 0.00 O ATOM 548 CB GLU A 34 -2.479 10.911 -3.262 1.00 0.00 C ATOM 549 CG GLU A 34 -3.258 12.152 -2.821 1.00 0.00 C ATOM 550 CD GLU A 34 -3.433 13.095 -4.013 1.00 0.00 C ATOM 551 OE1 GLU A 34 -2.430 13.576 -4.515 1.00 0.00 O ATOM 552 OE2 GLU A 34 -4.567 13.319 -4.405 1.00 0.00 O ATOM 0 H GLU A 34 -3.698 8.516 -2.582 1.00 0.00 H new ATOM 0 HA GLU A 34 -4.033 10.619 -4.710 1.00 0.00 H new ATOM 0 HB2 GLU A 34 -2.102 10.376 -2.390 1.00 0.00 H new ATOM 0 HB3 GLU A 34 -1.613 11.204 -3.856 1.00 0.00 H new ATOM 0 HG2 GLU A 34 -4.232 11.862 -2.427 1.00 0.00 H new ATOM 0 HG3 GLU A 34 -2.727 12.661 -2.016 1.00 0.00 H new ATOM 559 N GLU A 35 -1.578 9.599 -5.633 1.00 0.00 N ATOM 560 CA GLU A 35 -0.733 8.734 -6.502 1.00 0.00 C ATOM 561 C GLU A 35 0.695 9.275 -6.554 1.00 0.00 C ATOM 562 O GLU A 35 0.920 10.468 -6.517 1.00 0.00 O ATOM 563 CB GLU A 35 -1.307 8.712 -7.923 1.00 0.00 C ATOM 564 CG GLU A 35 -2.838 8.700 -7.875 1.00 0.00 C ATOM 565 CD GLU A 35 -3.393 8.606 -9.297 1.00 0.00 C ATOM 566 OE1 GLU A 35 -2.597 8.576 -10.222 1.00 0.00 O ATOM 567 OE2 GLU A 35 -4.604 8.568 -9.438 1.00 0.00 O ATOM 0 H GLU A 35 -1.331 10.589 -5.631 1.00 0.00 H new ATOM 0 HA GLU A 35 -0.725 7.726 -6.088 1.00 0.00 H new ATOM 0 HB2 GLU A 35 -0.960 9.584 -8.477 1.00 0.00 H new ATOM 0 HB3 GLU A 35 -0.946 7.832 -8.455 1.00 0.00 H new ATOM 0 HG2 GLU A 35 -3.187 7.856 -7.281 1.00 0.00 H new ATOM 0 HG3 GLU A 35 -3.204 9.605 -7.390 1.00 0.00 H new ATOM 574 N ALA A 36 1.654 8.396 -6.656 1.00 0.00 N ATOM 575 CA ALA A 36 3.079 8.830 -6.733 1.00 0.00 C ATOM 576 C ALA A 36 3.757 8.071 -7.871 1.00 0.00 C ATOM 577 O ALA A 36 3.098 7.491 -8.712 1.00 0.00 O ATOM 578 CB ALA A 36 3.786 8.530 -5.410 1.00 0.00 C ATOM 0 H ALA A 36 1.510 7.387 -6.690 1.00 0.00 H new ATOM 0 HA ALA A 36 3.132 9.903 -6.919 1.00 0.00 H new ATOM 0 HB1 ALA A 36 4.826 8.849 -5.473 1.00 0.00 H new ATOM 0 HB2 ALA A 36 3.290 9.068 -4.602 1.00 0.00 H new ATOM 0 HB3 ALA A 36 3.747 7.459 -5.211 1.00 0.00 H new ATOM 584 N GLU A 37 5.060 8.080 -7.920 1.00 0.00 N ATOM 585 CA GLU A 37 5.759 7.364 -9.028 1.00 0.00 C ATOM 586 C GLU A 37 7.072 6.746 -8.537 1.00 0.00 C ATOM 587 O GLU A 37 7.773 6.108 -9.297 1.00 0.00 O ATOM 588 CB GLU A 37 6.059 8.357 -10.153 1.00 0.00 C ATOM 589 CG GLU A 37 7.137 9.338 -9.693 1.00 0.00 C ATOM 590 CD GLU A 37 7.112 10.582 -10.583 1.00 0.00 C ATOM 591 OE1 GLU A 37 6.134 11.310 -10.523 1.00 0.00 O ATOM 592 OE2 GLU A 37 8.071 10.786 -11.310 1.00 0.00 O ATOM 0 H GLU A 37 5.668 8.547 -7.248 1.00 0.00 H new ATOM 0 HA GLU A 37 5.113 6.564 -9.389 1.00 0.00 H new ATOM 0 HB2 GLU A 37 6.393 7.824 -11.043 1.00 0.00 H new ATOM 0 HB3 GLU A 37 5.153 8.898 -10.426 1.00 0.00 H new ATOM 0 HG2 GLU A 37 6.968 9.619 -8.653 1.00 0.00 H new ATOM 0 HG3 GLU A 37 8.118 8.865 -9.740 1.00 0.00 H new ATOM 599 N ASP A 38 7.421 6.915 -7.289 1.00 0.00 N ATOM 600 CA ASP A 38 8.697 6.317 -6.802 1.00 0.00 C ATOM 601 C ASP A 38 8.793 6.462 -5.286 1.00 0.00 C ATOM 602 O ASP A 38 7.926 7.025 -4.648 1.00 0.00 O ATOM 603 CB ASP A 38 9.883 7.040 -7.448 1.00 0.00 C ATOM 604 CG ASP A 38 11.182 6.323 -7.077 1.00 0.00 C ATOM 605 OD1 ASP A 38 11.178 5.102 -7.064 1.00 0.00 O ATOM 606 OD2 ASP A 38 12.158 7.004 -6.813 1.00 0.00 O ATOM 0 H ASP A 38 6.885 7.435 -6.594 1.00 0.00 H new ATOM 0 HA ASP A 38 8.717 5.261 -7.070 1.00 0.00 H new ATOM 0 HB2 ASP A 38 9.763 7.061 -8.531 1.00 0.00 H new ATOM 0 HB3 ASP A 38 9.918 8.076 -7.111 1.00 0.00 H new ATOM 611 N GLY A 39 9.848 5.963 -4.705 1.00 0.00 N ATOM 612 CA GLY A 39 10.007 6.078 -3.233 1.00 0.00 C ATOM 613 C GLY A 39 10.208 7.546 -2.871 1.00 0.00 C ATOM 614 O GLY A 39 9.519 8.087 -2.031 1.00 0.00 O ATOM 0 H GLY A 39 10.606 5.481 -5.188 1.00 0.00 H new ATOM 0 HA2 GLY A 39 9.127 5.682 -2.727 1.00 0.00 H new ATOM 0 HA3 GLY A 39 10.860 5.487 -2.899 1.00 0.00 H new ATOM 618 N VAL A 40 11.141 8.199 -3.506 1.00 0.00 N ATOM 619 CA VAL A 40 11.372 9.634 -3.203 1.00 0.00 C ATOM 620 C VAL A 40 10.057 10.389 -3.387 1.00 0.00 C ATOM 621 O VAL A 40 9.815 11.402 -2.759 1.00 0.00 O ATOM 622 CB VAL A 40 12.426 10.200 -4.157 1.00 0.00 C ATOM 623 CG1 VAL A 40 12.818 11.609 -3.710 1.00 0.00 C ATOM 624 CG2 VAL A 40 13.664 9.300 -4.139 1.00 0.00 C ATOM 0 H VAL A 40 11.751 7.800 -4.220 1.00 0.00 H new ATOM 0 HA VAL A 40 11.726 9.745 -2.178 1.00 0.00 H new ATOM 0 HB VAL A 40 12.016 10.240 -5.166 1.00 0.00 H new ATOM 0 HG11 VAL A 40 13.569 12.011 -4.390 1.00 0.00 H new ATOM 0 HG12 VAL A 40 11.938 12.252 -3.720 1.00 0.00 H new ATOM 0 HG13 VAL A 40 13.227 11.570 -2.700 1.00 0.00 H new ATOM 0 HG21 VAL A 40 14.416 9.702 -4.818 1.00 0.00 H new ATOM 0 HG22 VAL A 40 14.071 9.262 -3.129 1.00 0.00 H new ATOM 0 HG23 VAL A 40 13.388 8.295 -4.457 1.00 0.00 H new ATOM 634 N ASP A 41 9.198 9.897 -4.239 1.00 0.00 N ATOM 635 CA ASP A 41 7.899 10.576 -4.458 1.00 0.00 C ATOM 636 C ASP A 41 6.949 10.202 -3.326 1.00 0.00 C ATOM 637 O ASP A 41 6.239 11.032 -2.796 1.00 0.00 O ATOM 638 CB ASP A 41 7.316 10.110 -5.790 1.00 0.00 C ATOM 639 CG ASP A 41 6.335 11.155 -6.329 1.00 0.00 C ATOM 640 OD1 ASP A 41 6.618 12.333 -6.194 1.00 0.00 O ATOM 641 OD2 ASP A 41 5.317 10.758 -6.871 1.00 0.00 O ATOM 0 H ASP A 41 9.345 9.052 -4.791 1.00 0.00 H new ATOM 0 HA ASP A 41 8.037 11.657 -4.477 1.00 0.00 H new ATOM 0 HB2 ASP A 41 8.118 9.947 -6.510 1.00 0.00 H new ATOM 0 HB3 ASP A 41 6.807 9.155 -5.659 1.00 0.00 H new ATOM 646 N ALA A 42 6.931 8.954 -2.949 1.00 0.00 N ATOM 647 CA ALA A 42 6.026 8.523 -1.850 1.00 0.00 C ATOM 648 C ALA A 42 6.462 9.178 -0.538 1.00 0.00 C ATOM 649 O ALA A 42 5.648 9.542 0.286 1.00 0.00 O ATOM 650 CB ALA A 42 6.091 7.001 -1.707 1.00 0.00 C ATOM 0 H ALA A 42 7.504 8.215 -3.355 1.00 0.00 H new ATOM 0 HA ALA A 42 5.005 8.825 -2.082 1.00 0.00 H new ATOM 0 HB1 ALA A 42 5.429 6.683 -0.902 1.00 0.00 H new ATOM 0 HB2 ALA A 42 5.778 6.534 -2.641 1.00 0.00 H new ATOM 0 HB3 ALA A 42 7.113 6.701 -1.476 1.00 0.00 H new ATOM 656 N LEU A 43 7.740 9.334 -0.337 1.00 0.00 N ATOM 657 CA LEU A 43 8.224 9.964 0.922 1.00 0.00 C ATOM 658 C LEU A 43 7.885 11.456 0.911 1.00 0.00 C ATOM 659 O LEU A 43 7.547 12.033 1.924 1.00 0.00 O ATOM 660 CB LEU A 43 9.742 9.786 1.025 1.00 0.00 C ATOM 661 CG LEU A 43 10.138 9.486 2.474 1.00 0.00 C ATOM 662 CD1 LEU A 43 9.958 7.993 2.755 1.00 0.00 C ATOM 663 CD2 LEU A 43 11.604 9.866 2.687 1.00 0.00 C ATOM 0 H LEU A 43 8.471 9.052 -0.990 1.00 0.00 H new ATOM 0 HA LEU A 43 7.741 9.490 1.776 1.00 0.00 H new ATOM 0 HB2 LEU A 43 10.066 8.973 0.375 1.00 0.00 H new ATOM 0 HB3 LEU A 43 10.246 10.689 0.681 1.00 0.00 H new ATOM 0 HG LEU A 43 9.506 10.063 3.150 1.00 0.00 H new ATOM 0 HD11 LEU A 43 10.240 7.780 3.786 1.00 0.00 H new ATOM 0 HD12 LEU A 43 8.915 7.717 2.600 1.00 0.00 H new ATOM 0 HD13 LEU A 43 10.591 7.417 2.080 1.00 0.00 H new ATOM 0 HD21 LEU A 43 11.889 9.654 3.717 1.00 0.00 H new ATOM 0 HD22 LEU A 43 12.232 9.287 2.010 1.00 0.00 H new ATOM 0 HD23 LEU A 43 11.737 10.929 2.485 1.00 0.00 H new ATOM 675 N ASN A 44 7.980 12.086 -0.227 1.00 0.00 N ATOM 676 CA ASN A 44 7.672 13.542 -0.303 1.00 0.00 C ATOM 677 C ASN A 44 6.162 13.752 -0.439 1.00 0.00 C ATOM 678 O ASN A 44 5.633 14.779 -0.060 1.00 0.00 O ATOM 679 CB ASN A 44 8.370 14.138 -1.526 1.00 0.00 C ATOM 680 CG ASN A 44 9.731 14.702 -1.115 1.00 0.00 C ATOM 681 OD1 ASN A 44 9.852 15.875 -0.820 1.00 0.00 O ATOM 682 ND2 ASN A 44 10.767 13.910 -1.081 1.00 0.00 N ATOM 0 H ASN A 44 8.258 11.655 -1.109 1.00 0.00 H new ATOM 0 HA ASN A 44 8.023 14.030 0.606 1.00 0.00 H new ATOM 0 HB2 ASN A 44 8.498 13.374 -2.293 1.00 0.00 H new ATOM 0 HB3 ASN A 44 7.755 14.926 -1.961 1.00 0.00 H new ATOM 0 HD21 ASN A 44 11.679 14.275 -0.807 1.00 0.00 H new ATOM 0 HD22 ASN A 44 10.665 12.926 -1.329 1.00 0.00 H new ATOM 689 N LYS A 45 5.467 12.796 -0.987 1.00 0.00 N ATOM 690 CA LYS A 45 3.993 12.951 -1.161 1.00 0.00 C ATOM 691 C LYS A 45 3.258 12.531 0.115 1.00 0.00 C ATOM 692 O LYS A 45 2.090 12.819 0.283 1.00 0.00 O ATOM 693 CB LYS A 45 3.524 12.080 -2.330 1.00 0.00 C ATOM 694 CG LYS A 45 2.138 12.539 -2.789 1.00 0.00 C ATOM 695 CD LYS A 45 2.276 13.381 -4.059 1.00 0.00 C ATOM 696 CE LYS A 45 0.896 13.874 -4.499 1.00 0.00 C ATOM 697 NZ LYS A 45 0.937 15.348 -4.709 1.00 0.00 N ATOM 0 H LYS A 45 5.854 11.914 -1.322 1.00 0.00 H new ATOM 0 HA LYS A 45 3.770 13.998 -1.367 1.00 0.00 H new ATOM 0 HB2 LYS A 45 4.233 12.149 -3.155 1.00 0.00 H new ATOM 0 HB3 LYS A 45 3.489 11.034 -2.026 1.00 0.00 H new ATOM 0 HG2 LYS A 45 1.501 11.675 -2.980 1.00 0.00 H new ATOM 0 HG3 LYS A 45 1.657 13.122 -2.003 1.00 0.00 H new ATOM 0 HD2 LYS A 45 2.935 14.229 -3.875 1.00 0.00 H new ATOM 0 HD3 LYS A 45 2.732 12.789 -4.852 1.00 0.00 H new ATOM 0 HE2 LYS A 45 0.596 13.373 -5.420 1.00 0.00 H new ATOM 0 HE3 LYS A 45 0.151 13.625 -3.743 1.00 0.00 H new ATOM 0 HZ1 LYS A 45 -0.001 15.682 -5.008 1.00 0.00 H new ATOM 0 HZ2 LYS A 45 1.205 15.818 -3.821 1.00 0.00 H new ATOM 0 HZ3 LYS A 45 1.636 15.574 -5.445 1.00 0.00 H new ATOM 711 N LEU A 46 3.915 11.856 1.021 1.00 0.00 N ATOM 712 CA LEU A 46 3.206 11.443 2.265 1.00 0.00 C ATOM 713 C LEU A 46 3.074 12.647 3.198 1.00 0.00 C ATOM 714 O LEU A 46 2.245 12.668 4.086 1.00 0.00 O ATOM 715 CB LEU A 46 3.972 10.319 2.977 1.00 0.00 C ATOM 716 CG LEU A 46 3.112 9.049 2.986 1.00 0.00 C ATOM 717 CD1 LEU A 46 2.997 8.511 1.568 1.00 0.00 C ATOM 718 CD2 LEU A 46 3.751 7.987 3.869 1.00 0.00 C ATOM 0 H LEU A 46 4.894 11.577 0.956 1.00 0.00 H new ATOM 0 HA LEU A 46 2.216 11.072 1.998 1.00 0.00 H new ATOM 0 HB2 LEU A 46 4.917 10.129 2.469 1.00 0.00 H new ATOM 0 HB3 LEU A 46 4.213 10.617 3.998 1.00 0.00 H new ATOM 0 HG LEU A 46 2.124 9.293 3.377 1.00 0.00 H new ATOM 0 HD11 LEU A 46 2.386 7.608 1.570 1.00 0.00 H new ATOM 0 HD12 LEU A 46 2.532 9.263 0.930 1.00 0.00 H new ATOM 0 HD13 LEU A 46 3.991 8.276 1.186 1.00 0.00 H new ATOM 0 HD21 LEU A 46 3.131 7.091 3.867 1.00 0.00 H new ATOM 0 HD22 LEU A 46 4.742 7.743 3.486 1.00 0.00 H new ATOM 0 HD23 LEU A 46 3.839 8.365 4.888 1.00 0.00 H new ATOM 730 N GLN A 47 3.876 13.656 2.997 1.00 0.00 N ATOM 731 CA GLN A 47 3.782 14.860 3.867 1.00 0.00 C ATOM 732 C GLN A 47 2.456 15.570 3.588 1.00 0.00 C ATOM 733 O GLN A 47 2.101 16.528 4.244 1.00 0.00 O ATOM 734 CB GLN A 47 4.944 15.807 3.559 1.00 0.00 C ATOM 735 CG GLN A 47 6.272 15.088 3.807 1.00 0.00 C ATOM 736 CD GLN A 47 7.281 16.070 4.403 1.00 0.00 C ATOM 737 OE1 GLN A 47 7.873 15.803 5.430 1.00 0.00 O ATOM 738 NE2 GLN A 47 7.505 17.206 3.799 1.00 0.00 N ATOM 0 H GLN A 47 4.590 13.698 2.270 1.00 0.00 H new ATOM 0 HA GLN A 47 3.830 14.563 4.915 1.00 0.00 H new ATOM 0 HB2 GLN A 47 4.888 16.142 2.523 1.00 0.00 H new ATOM 0 HB3 GLN A 47 4.878 16.696 4.186 1.00 0.00 H new ATOM 0 HG2 GLN A 47 6.122 14.248 4.485 1.00 0.00 H new ATOM 0 HG3 GLN A 47 6.656 14.678 2.873 1.00 0.00 H new ATOM 0 HE21 GLN A 47 7.009 17.432 2.937 1.00 0.00 H new ATOM 0 HE22 GLN A 47 8.176 17.868 4.189 1.00 0.00 H new ATOM 747 N ALA A 48 1.724 15.105 2.611 1.00 0.00 N ATOM 748 CA ALA A 48 0.425 15.748 2.277 1.00 0.00 C ATOM 749 C ALA A 48 -0.376 15.992 3.557 1.00 0.00 C ATOM 750 O ALA A 48 -0.553 17.118 3.980 1.00 0.00 O ATOM 751 CB ALA A 48 -0.369 14.836 1.337 1.00 0.00 C ATOM 0 H ALA A 48 1.973 14.305 2.029 1.00 0.00 H new ATOM 0 HA ALA A 48 0.611 16.703 1.785 1.00 0.00 H new ATOM 0 HB1 ALA A 48 -1.321 15.307 1.092 1.00 0.00 H new ATOM 0 HB2 ALA A 48 0.201 14.672 0.422 1.00 0.00 H new ATOM 0 HB3 ALA A 48 -0.552 13.880 1.827 1.00 0.00 H new ATOM 757 N GLY A 49 -0.868 14.954 4.180 1.00 0.00 N ATOM 758 CA GLY A 49 -1.659 15.150 5.430 1.00 0.00 C ATOM 759 C GLY A 49 -1.483 13.945 6.355 1.00 0.00 C ATOM 760 O GLY A 49 -2.212 13.775 7.311 1.00 0.00 O ATOM 0 H GLY A 49 -0.758 13.985 3.880 1.00 0.00 H new ATOM 0 HA2 GLY A 49 -1.334 16.059 5.937 1.00 0.00 H new ATOM 0 HA3 GLY A 49 -2.713 15.281 5.186 1.00 0.00 H new ATOM 764 N GLY A 50 -0.524 13.103 6.078 1.00 0.00 N ATOM 765 CA GLY A 50 -0.312 11.911 6.946 1.00 0.00 C ATOM 766 C GLY A 50 -1.196 10.769 6.447 1.00 0.00 C ATOM 767 O GLY A 50 -2.338 10.637 6.839 1.00 0.00 O ATOM 0 H GLY A 50 0.119 13.189 5.291 1.00 0.00 H new ATOM 0 HA2 GLY A 50 0.736 11.612 6.926 1.00 0.00 H new ATOM 0 HA3 GLY A 50 -0.555 12.151 7.981 1.00 0.00 H new ATOM 771 N TYR A 51 -0.679 9.950 5.576 1.00 0.00 N ATOM 772 CA TYR A 51 -1.488 8.826 5.039 1.00 0.00 C ATOM 773 C TYR A 51 -1.701 7.776 6.115 1.00 0.00 C ATOM 774 O TYR A 51 -0.805 7.458 6.873 1.00 0.00 O ATOM 775 CB TYR A 51 -0.749 8.183 3.875 1.00 0.00 C ATOM 776 CG TYR A 51 -0.864 9.063 2.663 1.00 0.00 C ATOM 777 CD1 TYR A 51 -0.235 10.309 2.652 1.00 0.00 C ATOM 778 CD2 TYR A 51 -1.597 8.636 1.552 1.00 0.00 C ATOM 779 CE1 TYR A 51 -0.337 11.133 1.531 1.00 0.00 C ATOM 780 CE2 TYR A 51 -1.698 9.460 0.426 1.00 0.00 C ATOM 781 CZ TYR A 51 -1.066 10.714 0.419 1.00 0.00 C ATOM 782 OH TYR A 51 -1.161 11.536 -0.681 1.00 0.00 O ATOM 0 H TYR A 51 0.272 10.012 5.213 1.00 0.00 H new ATOM 0 HA TYR A 51 -2.452 9.213 4.709 1.00 0.00 H new ATOM 0 HB2 TYR A 51 0.300 8.036 4.133 1.00 0.00 H new ATOM 0 HB3 TYR A 51 -1.167 7.199 3.664 1.00 0.00 H new ATOM 0 HD1 TYR A 51 0.331 10.635 3.512 1.00 0.00 H new ATOM 0 HD2 TYR A 51 -2.084 7.672 1.563 1.00 0.00 H new ATOM 0 HE1 TYR A 51 0.150 12.097 1.525 1.00 0.00 H new ATOM 0 HE2 TYR A 51 -2.261 9.133 -0.436 1.00 0.00 H new ATOM 0 HH TYR A 51 -0.422 11.346 -1.296 1.00 0.00 H new ATOM 792 N GLY A 52 -2.871 7.212 6.169 1.00 0.00 N ATOM 793 CA GLY A 52 -3.131 6.158 7.175 1.00 0.00 C ATOM 794 C GLY A 52 -2.863 4.798 6.524 1.00 0.00 C ATOM 795 O GLY A 52 -2.906 3.766 7.163 1.00 0.00 O ATOM 0 H GLY A 52 -3.657 7.437 5.559 1.00 0.00 H new ATOM 0 HA2 GLY A 52 -2.489 6.296 8.045 1.00 0.00 H new ATOM 0 HA3 GLY A 52 -4.161 6.214 7.527 1.00 0.00 H new ATOM 799 N PHE A 53 -2.600 4.804 5.241 1.00 0.00 N ATOM 800 CA PHE A 53 -2.341 3.530 4.509 1.00 0.00 C ATOM 801 C PHE A 53 -1.516 3.842 3.251 1.00 0.00 C ATOM 802 O PHE A 53 -1.722 4.854 2.610 1.00 0.00 O ATOM 803 CB PHE A 53 -3.693 2.951 4.081 1.00 0.00 C ATOM 804 CG PHE A 53 -3.767 1.453 4.285 1.00 0.00 C ATOM 805 CD1 PHE A 53 -2.661 0.625 4.046 1.00 0.00 C ATOM 806 CD2 PHE A 53 -4.974 0.891 4.702 1.00 0.00 C ATOM 807 CE1 PHE A 53 -2.775 -0.755 4.228 1.00 0.00 C ATOM 808 CE2 PHE A 53 -5.088 -0.484 4.884 1.00 0.00 C ATOM 809 CZ PHE A 53 -3.986 -1.312 4.647 1.00 0.00 C ATOM 0 H PHE A 53 -2.554 5.645 4.666 1.00 0.00 H new ATOM 0 HA PHE A 53 -1.801 2.824 5.141 1.00 0.00 H new ATOM 0 HB2 PHE A 53 -4.488 3.433 4.650 1.00 0.00 H new ATOM 0 HB3 PHE A 53 -3.868 3.181 3.030 1.00 0.00 H new ATOM 0 HD1 PHE A 53 -1.724 1.053 3.722 1.00 0.00 H new ATOM 0 HD2 PHE A 53 -5.827 1.528 4.885 1.00 0.00 H new ATOM 0 HE1 PHE A 53 -1.924 -1.394 4.044 1.00 0.00 H new ATOM 0 HE2 PHE A 53 -6.026 -0.911 5.208 1.00 0.00 H new ATOM 0 HZ PHE A 53 -4.071 -2.379 4.788 1.00 0.00 H new ATOM 819 N VAL A 54 -0.593 2.990 2.877 1.00 0.00 N ATOM 820 CA VAL A 54 0.207 3.270 1.640 1.00 0.00 C ATOM 821 C VAL A 54 0.272 2.016 0.763 1.00 0.00 C ATOM 822 O VAL A 54 0.785 0.985 1.154 1.00 0.00 O ATOM 823 CB VAL A 54 1.619 3.727 2.012 1.00 0.00 C ATOM 824 CG1 VAL A 54 2.518 3.645 0.775 1.00 0.00 C ATOM 825 CG2 VAL A 54 1.570 5.180 2.497 1.00 0.00 C ATOM 0 H VAL A 54 -0.360 2.125 3.365 1.00 0.00 H new ATOM 0 HA VAL A 54 -0.281 4.068 1.080 1.00 0.00 H new ATOM 0 HB VAL A 54 2.014 3.087 2.801 1.00 0.00 H new ATOM 0 HG11 VAL A 54 3.525 3.970 1.035 1.00 0.00 H new ATOM 0 HG12 VAL A 54 2.550 2.616 0.416 1.00 0.00 H new ATOM 0 HG13 VAL A 54 2.120 4.290 -0.008 1.00 0.00 H new ATOM 0 HG21 VAL A 54 2.575 5.509 2.763 1.00 0.00 H new ATOM 0 HG22 VAL A 54 1.178 5.816 1.703 1.00 0.00 H new ATOM 0 HG23 VAL A 54 0.922 5.250 3.371 1.00 0.00 H new ATOM 835 N ILE A 55 -0.255 2.113 -0.430 1.00 0.00 N ATOM 836 CA ILE A 55 -0.242 0.955 -1.368 1.00 0.00 C ATOM 837 C ILE A 55 0.885 1.153 -2.387 1.00 0.00 C ATOM 838 O ILE A 55 1.276 2.266 -2.681 1.00 0.00 O ATOM 839 CB ILE A 55 -1.581 0.883 -2.112 1.00 0.00 C ATOM 840 CG1 ILE A 55 -2.733 0.850 -1.100 1.00 0.00 C ATOM 841 CG2 ILE A 55 -1.616 -0.382 -2.970 1.00 0.00 C ATOM 842 CD1 ILE A 55 -4.072 1.004 -1.831 1.00 0.00 C ATOM 0 H ILE A 55 -0.698 2.955 -0.797 1.00 0.00 H new ATOM 0 HA ILE A 55 -0.085 0.033 -0.809 1.00 0.00 H new ATOM 0 HB ILE A 55 -1.689 1.760 -2.750 1.00 0.00 H new ATOM 0 HG12 ILE A 55 -2.716 -0.089 -0.547 1.00 0.00 H new ATOM 0 HG13 ILE A 55 -2.612 1.651 -0.371 1.00 0.00 H new ATOM 0 HG21 ILE A 55 -2.567 -0.436 -3.500 1.00 0.00 H new ATOM 0 HG22 ILE A 55 -0.799 -0.355 -3.691 1.00 0.00 H new ATOM 0 HG23 ILE A 55 -1.507 -1.258 -2.331 1.00 0.00 H new ATOM 0 HD11 ILE A 55 -4.887 0.980 -1.107 1.00 0.00 H new ATOM 0 HD12 ILE A 55 -4.088 1.955 -2.364 1.00 0.00 H new ATOM 0 HD13 ILE A 55 -4.194 0.187 -2.542 1.00 0.00 H new ATOM 854 N SER A 56 1.407 0.090 -2.932 1.00 0.00 N ATOM 855 CA SER A 56 2.506 0.228 -3.931 1.00 0.00 C ATOM 856 C SER A 56 2.776 -1.132 -4.575 1.00 0.00 C ATOM 857 O SER A 56 2.333 -2.152 -4.093 1.00 0.00 O ATOM 858 CB SER A 56 3.773 0.720 -3.233 1.00 0.00 C ATOM 859 OG SER A 56 4.440 -0.386 -2.638 1.00 0.00 O ATOM 0 H SER A 56 1.121 -0.868 -2.730 1.00 0.00 H new ATOM 0 HA SER A 56 2.214 0.945 -4.698 1.00 0.00 H new ATOM 0 HB2 SER A 56 4.429 1.213 -3.950 1.00 0.00 H new ATOM 0 HB3 SER A 56 3.520 1.459 -2.473 1.00 0.00 H new ATOM 0 HG SER A 56 5.254 -0.075 -2.190 1.00 0.00 H new ATOM 865 N ASP A 57 3.500 -1.160 -5.659 1.00 0.00 N ATOM 866 CA ASP A 57 3.789 -2.465 -6.315 1.00 0.00 C ATOM 867 C ASP A 57 4.879 -3.195 -5.525 1.00 0.00 C ATOM 868 O ASP A 57 4.598 -3.920 -4.590 1.00 0.00 O ATOM 869 CB ASP A 57 4.268 -2.222 -7.747 1.00 0.00 C ATOM 870 CG ASP A 57 5.134 -0.962 -7.787 1.00 0.00 C ATOM 871 OD1 ASP A 57 4.577 0.119 -7.685 1.00 0.00 O ATOM 872 OD2 ASP A 57 6.339 -1.100 -7.918 1.00 0.00 O ATOM 0 H ASP A 57 3.902 -0.342 -6.116 1.00 0.00 H new ATOM 0 HA ASP A 57 2.885 -3.073 -6.337 1.00 0.00 H new ATOM 0 HB2 ASP A 57 4.839 -3.080 -8.102 1.00 0.00 H new ATOM 0 HB3 ASP A 57 3.413 -2.110 -8.414 1.00 0.00 H new ATOM 877 N TRP A 58 6.123 -3.006 -5.882 1.00 0.00 N ATOM 878 CA TRP A 58 7.218 -3.690 -5.132 1.00 0.00 C ATOM 879 C TRP A 58 8.574 -3.082 -5.509 1.00 0.00 C ATOM 880 O TRP A 58 9.290 -2.593 -4.660 1.00 0.00 O ATOM 881 CB TRP A 58 7.202 -5.190 -5.449 1.00 0.00 C ATOM 882 CG TRP A 58 8.338 -5.873 -4.750 1.00 0.00 C ATOM 883 CD1 TRP A 58 9.340 -6.537 -5.370 1.00 0.00 C ATOM 884 CD2 TRP A 58 8.603 -5.980 -3.317 1.00 0.00 C ATOM 885 NE1 TRP A 58 10.208 -7.034 -4.415 1.00 0.00 N ATOM 886 CE2 TRP A 58 9.798 -6.719 -3.135 1.00 0.00 C ATOM 887 CE3 TRP A 58 7.936 -5.513 -2.169 1.00 0.00 C ATOM 888 CZ2 TRP A 58 10.311 -6.982 -1.864 1.00 0.00 C ATOM 889 CZ3 TRP A 58 8.449 -5.777 -0.890 1.00 0.00 C ATOM 890 CH2 TRP A 58 9.634 -6.509 -0.737 1.00 0.00 C ATOM 0 H TRP A 58 6.426 -2.413 -6.654 1.00 0.00 H new ATOM 0 HA TRP A 58 7.060 -3.551 -4.062 1.00 0.00 H new ATOM 0 HB2 TRP A 58 6.255 -5.627 -5.133 1.00 0.00 H new ATOM 0 HB3 TRP A 58 7.281 -5.344 -6.525 1.00 0.00 H new ATOM 0 HD1 TRP A 58 9.445 -6.659 -6.438 1.00 0.00 H new ATOM 0 HE1 TRP A 58 11.049 -7.569 -4.630 1.00 0.00 H new ATOM 0 HE3 TRP A 58 7.022 -4.947 -2.273 1.00 0.00 H new ATOM 0 HZ2 TRP A 58 11.225 -7.547 -1.752 1.00 0.00 H new ATOM 0 HZ3 TRP A 58 7.927 -5.413 -0.017 1.00 0.00 H new ATOM 0 HH2 TRP A 58 10.023 -6.707 0.251 1.00 0.00 H new ATOM 901 N ASN A 59 8.939 -3.094 -6.764 1.00 0.00 N ATOM 902 CA ASN A 59 10.255 -2.498 -7.149 1.00 0.00 C ATOM 903 C ASN A 59 10.396 -2.453 -8.672 1.00 0.00 C ATOM 904 O ASN A 59 11.163 -3.196 -9.252 1.00 0.00 O ATOM 905 CB ASN A 59 11.395 -3.334 -6.561 1.00 0.00 C ATOM 906 CG ASN A 59 11.213 -4.809 -6.932 1.00 0.00 C ATOM 907 OD1 ASN A 59 10.482 -5.133 -7.965 1.00 0.00 O flip ATOM 908 ND2 ASN A 59 11.744 -5.680 -6.271 1.00 0.00 N flip ATOM 0 H ASN A 59 8.392 -3.485 -7.531 1.00 0.00 H new ATOM 0 HA ASN A 59 10.303 -1.482 -6.756 1.00 0.00 H new ATOM 0 HB2 ASN A 59 12.352 -2.972 -6.936 1.00 0.00 H new ATOM 0 HB3 ASN A 59 11.415 -3.224 -5.477 1.00 0.00 H new ATOM 0 HD21 ASN A 59 12.315 -5.431 -5.464 1.00 0.00 H new ATOM 0 HD22 ASN A 59 11.618 -6.660 -6.524 1.00 0.00 H new ATOM 915 N MET A 60 9.673 -1.584 -9.325 1.00 0.00 N ATOM 916 CA MET A 60 9.782 -1.493 -10.807 1.00 0.00 C ATOM 917 C MET A 60 10.847 -0.455 -11.207 1.00 0.00 C ATOM 918 O MET A 60 11.676 -0.743 -12.047 1.00 0.00 O ATOM 919 CB MET A 60 8.427 -1.115 -11.411 1.00 0.00 C ATOM 920 CG MET A 60 7.963 -2.225 -12.355 1.00 0.00 C ATOM 921 SD MET A 60 7.726 -3.755 -11.418 1.00 0.00 S ATOM 922 CE MET A 60 5.971 -3.520 -11.043 1.00 0.00 C ATOM 0 H MET A 60 9.013 -0.935 -8.896 1.00 0.00 H new ATOM 0 HA MET A 60 10.084 -2.466 -11.193 1.00 0.00 H new ATOM 0 HB2 MET A 60 7.693 -0.965 -10.619 1.00 0.00 H new ATOM 0 HB3 MET A 60 8.508 -0.173 -11.953 1.00 0.00 H new ATOM 0 HG2 MET A 60 7.032 -1.937 -12.842 1.00 0.00 H new ATOM 0 HG3 MET A 60 8.701 -2.379 -13.143 1.00 0.00 H new ATOM 0 HE1 MET A 60 5.608 -4.365 -10.458 1.00 0.00 H new ATOM 0 HE2 MET A 60 5.841 -2.601 -10.472 1.00 0.00 H new ATOM 0 HE3 MET A 60 5.406 -3.453 -11.973 1.00 0.00 H new ATOM 932 N PRO A 61 10.812 0.725 -10.615 1.00 0.00 N ATOM 933 CA PRO A 61 11.794 1.775 -10.948 1.00 0.00 C ATOM 934 C PRO A 61 13.195 1.354 -10.491 1.00 0.00 C ATOM 935 O PRO A 61 13.465 0.189 -10.275 1.00 0.00 O ATOM 936 CB PRO A 61 11.329 3.016 -10.172 1.00 0.00 C ATOM 937 CG PRO A 61 10.057 2.626 -9.382 1.00 0.00 C ATOM 938 CD PRO A 61 9.818 1.122 -9.592 1.00 0.00 C ATOM 0 HA PRO A 61 11.850 1.961 -12.021 1.00 0.00 H new ATOM 0 HB2 PRO A 61 12.111 3.358 -9.494 1.00 0.00 H new ATOM 0 HB3 PRO A 61 11.118 3.838 -10.856 1.00 0.00 H new ATOM 0 HG2 PRO A 61 10.182 2.849 -8.322 1.00 0.00 H new ATOM 0 HG3 PRO A 61 9.199 3.202 -9.730 1.00 0.00 H new ATOM 0 HD2 PRO A 61 9.959 0.565 -8.666 1.00 0.00 H new ATOM 0 HD3 PRO A 61 8.801 0.926 -9.931 1.00 0.00 H new ATOM 946 N ASN A 62 14.084 2.296 -10.342 1.00 0.00 N ATOM 947 CA ASN A 62 15.467 1.962 -9.900 1.00 0.00 C ATOM 948 C ASN A 62 15.473 1.681 -8.394 1.00 0.00 C ATOM 949 O ASN A 62 16.135 0.778 -7.924 1.00 0.00 O ATOM 950 CB ASN A 62 16.390 3.146 -10.197 1.00 0.00 C ATOM 951 CG ASN A 62 15.901 4.377 -9.430 1.00 0.00 C ATOM 952 OD1 ASN A 62 14.706 4.848 -9.668 1.00 0.00 O flip ATOM 953 ND2 ASN A 62 16.613 4.916 -8.607 1.00 0.00 N flip ATOM 0 H ASN A 62 13.911 3.287 -10.508 1.00 0.00 H new ATOM 0 HA ASN A 62 15.816 1.078 -10.434 1.00 0.00 H new ATOM 0 HB2 ASN A 62 17.413 2.906 -9.907 1.00 0.00 H new ATOM 0 HB3 ASN A 62 16.402 3.352 -11.267 1.00 0.00 H new ATOM 0 HD21 ASN A 62 17.546 4.548 -8.421 1.00 0.00 H new ATOM 0 HD22 ASN A 62 16.278 5.736 -8.102 1.00 0.00 H new ATOM 960 N MET A 63 14.743 2.451 -7.634 1.00 0.00 N ATOM 961 CA MET A 63 14.711 2.230 -6.160 1.00 0.00 C ATOM 962 C MET A 63 13.762 1.075 -5.832 1.00 0.00 C ATOM 963 O MET A 63 12.739 0.901 -6.464 1.00 0.00 O ATOM 964 CB MET A 63 14.221 3.502 -5.465 1.00 0.00 C ATOM 965 CG MET A 63 15.318 4.568 -5.514 1.00 0.00 C ATOM 966 SD MET A 63 16.300 4.494 -3.996 1.00 0.00 S ATOM 967 CE MET A 63 15.823 6.111 -3.337 1.00 0.00 C ATOM 0 H MET A 63 14.168 3.223 -7.970 1.00 0.00 H new ATOM 0 HA MET A 63 15.714 1.985 -5.811 1.00 0.00 H new ATOM 0 HB2 MET A 63 13.319 3.871 -5.953 1.00 0.00 H new ATOM 0 HB3 MET A 63 13.957 3.285 -4.430 1.00 0.00 H new ATOM 0 HG2 MET A 63 15.958 4.407 -6.382 1.00 0.00 H new ATOM 0 HG3 MET A 63 14.874 5.557 -5.625 1.00 0.00 H new ATOM 0 HE1 MET A 63 16.324 6.277 -2.383 1.00 0.00 H new ATOM 0 HE2 MET A 63 16.114 6.891 -4.040 1.00 0.00 H new ATOM 0 HE3 MET A 63 14.743 6.140 -3.190 1.00 0.00 H new ATOM 977 N ASP A 64 14.092 0.286 -4.846 1.00 0.00 N ATOM 978 CA ASP A 64 13.208 -0.855 -4.474 1.00 0.00 C ATOM 979 C ASP A 64 12.108 -0.356 -3.535 1.00 0.00 C ATOM 980 O ASP A 64 12.319 0.536 -2.738 1.00 0.00 O ATOM 981 CB ASP A 64 14.034 -1.932 -3.767 1.00 0.00 C ATOM 982 CG ASP A 64 15.306 -1.307 -3.194 1.00 0.00 C ATOM 983 OD1 ASP A 64 15.187 -0.366 -2.426 1.00 0.00 O ATOM 984 OD2 ASP A 64 16.379 -1.780 -3.532 1.00 0.00 O ATOM 0 H ASP A 64 14.936 0.382 -4.282 1.00 0.00 H new ATOM 0 HA ASP A 64 12.758 -1.277 -5.373 1.00 0.00 H new ATOM 0 HB2 ASP A 64 13.449 -2.388 -2.968 1.00 0.00 H new ATOM 0 HB3 ASP A 64 14.291 -2.727 -4.468 1.00 0.00 H new ATOM 989 N GLY A 65 10.935 -0.921 -3.623 1.00 0.00 N ATOM 990 CA GLY A 65 9.826 -0.470 -2.734 1.00 0.00 C ATOM 991 C GLY A 65 10.176 -0.785 -1.274 1.00 0.00 C ATOM 992 O GLY A 65 9.558 -0.280 -0.358 1.00 0.00 O ATOM 0 H GLY A 65 10.697 -1.673 -4.270 1.00 0.00 H new ATOM 0 HA2 GLY A 65 9.661 0.601 -2.856 1.00 0.00 H new ATOM 0 HA3 GLY A 65 8.898 -0.969 -3.012 1.00 0.00 H new ATOM 996 N LEU A 66 11.155 -1.626 -1.049 1.00 0.00 N ATOM 997 CA LEU A 66 11.529 -1.978 0.355 1.00 0.00 C ATOM 998 C LEU A 66 12.271 -0.808 1.007 1.00 0.00 C ATOM 999 O LEU A 66 11.731 -0.128 1.855 1.00 0.00 O ATOM 1000 CB LEU A 66 12.419 -3.223 0.359 1.00 0.00 C ATOM 1001 CG LEU A 66 11.833 -4.263 1.319 1.00 0.00 C ATOM 1002 CD1 LEU A 66 12.722 -5.507 1.329 1.00 0.00 C ATOM 1003 CD2 LEU A 66 11.767 -3.677 2.732 1.00 0.00 C ATOM 0 H LEU A 66 11.709 -2.082 -1.774 1.00 0.00 H new ATOM 0 HA LEU A 66 10.622 -2.185 0.923 1.00 0.00 H new ATOM 0 HB2 LEU A 66 12.488 -3.638 -0.647 1.00 0.00 H new ATOM 0 HB3 LEU A 66 13.431 -2.959 0.665 1.00 0.00 H new ATOM 0 HG LEU A 66 10.830 -4.533 0.989 1.00 0.00 H new ATOM 0 HD11 LEU A 66 12.305 -6.247 2.012 1.00 0.00 H new ATOM 0 HD12 LEU A 66 12.771 -5.927 0.325 1.00 0.00 H new ATOM 0 HD13 LEU A 66 13.725 -5.235 1.657 1.00 0.00 H new ATOM 0 HD21 LEU A 66 11.350 -4.418 3.414 1.00 0.00 H new ATOM 0 HD22 LEU A 66 12.770 -3.406 3.061 1.00 0.00 H new ATOM 0 HD23 LEU A 66 11.134 -2.790 2.729 1.00 0.00 H new ATOM 1015 N GLU A 67 13.501 -0.566 0.620 1.00 0.00 N ATOM 1016 CA GLU A 67 14.260 0.570 1.226 1.00 0.00 C ATOM 1017 C GLU A 67 13.344 1.789 1.253 1.00 0.00 C ATOM 1018 O GLU A 67 13.461 2.662 2.090 1.00 0.00 O ATOM 1019 CB GLU A 67 15.500 0.871 0.381 1.00 0.00 C ATOM 1020 CG GLU A 67 16.447 1.777 1.172 1.00 0.00 C ATOM 1021 CD GLU A 67 17.646 2.151 0.300 1.00 0.00 C ATOM 1022 OE1 GLU A 67 17.624 1.825 -0.875 1.00 0.00 O ATOM 1023 OE2 GLU A 67 18.566 2.758 0.822 1.00 0.00 O ATOM 0 H GLU A 67 14.008 -1.102 -0.084 1.00 0.00 H new ATOM 0 HA GLU A 67 14.581 0.316 2.236 1.00 0.00 H new ATOM 0 HB2 GLU A 67 16.006 -0.057 0.114 1.00 0.00 H new ATOM 0 HB3 GLU A 67 15.210 1.356 -0.551 1.00 0.00 H new ATOM 0 HG2 GLU A 67 15.922 2.677 1.492 1.00 0.00 H new ATOM 0 HG3 GLU A 67 16.785 1.267 2.074 1.00 0.00 H new ATOM 1030 N LEU A 68 12.413 1.826 0.345 1.00 0.00 N ATOM 1031 CA LEU A 68 11.441 2.947 0.289 1.00 0.00 C ATOM 1032 C LEU A 68 10.527 2.842 1.507 1.00 0.00 C ATOM 1033 O LEU A 68 10.278 3.807 2.198 1.00 0.00 O ATOM 1034 CB LEU A 68 10.645 2.805 -1.022 1.00 0.00 C ATOM 1035 CG LEU A 68 9.129 3.000 -0.820 1.00 0.00 C ATOM 1036 CD1 LEU A 68 8.846 4.372 -0.204 1.00 0.00 C ATOM 1037 CD2 LEU A 68 8.423 2.914 -2.179 1.00 0.00 C ATOM 0 H LEU A 68 12.283 1.113 -0.373 1.00 0.00 H new ATOM 0 HA LEU A 68 11.931 3.921 0.305 1.00 0.00 H new ATOM 0 HB2 LEU A 68 11.008 3.536 -1.744 1.00 0.00 H new ATOM 0 HB3 LEU A 68 10.827 1.818 -1.448 1.00 0.00 H new ATOM 0 HG LEU A 68 8.761 2.222 -0.151 1.00 0.00 H new ATOM 0 HD11 LEU A 68 7.772 4.495 -0.067 1.00 0.00 H new ATOM 0 HD12 LEU A 68 9.345 4.447 0.762 1.00 0.00 H new ATOM 0 HD13 LEU A 68 9.219 5.153 -0.867 1.00 0.00 H new ATOM 0 HD21 LEU A 68 7.351 3.051 -2.041 1.00 0.00 H new ATOM 0 HD22 LEU A 68 8.807 3.693 -2.838 1.00 0.00 H new ATOM 0 HD23 LEU A 68 8.609 1.937 -2.625 1.00 0.00 H new ATOM 1049 N LEU A 69 10.033 1.665 1.768 1.00 0.00 N ATOM 1050 CA LEU A 69 9.131 1.459 2.934 1.00 0.00 C ATOM 1051 C LEU A 69 9.954 1.474 4.221 1.00 0.00 C ATOM 1052 O LEU A 69 9.776 2.321 5.078 1.00 0.00 O ATOM 1053 CB LEU A 69 8.445 0.102 2.775 1.00 0.00 C ATOM 1054 CG LEU A 69 7.391 -0.100 3.863 1.00 0.00 C ATOM 1055 CD1 LEU A 69 6.200 -0.820 3.252 1.00 0.00 C ATOM 1056 CD2 LEU A 69 7.946 -0.961 4.993 1.00 0.00 C ATOM 0 H LEU A 69 10.218 0.827 1.216 1.00 0.00 H new ATOM 0 HA LEU A 69 8.385 2.252 2.982 1.00 0.00 H new ATOM 0 HB2 LEU A 69 7.978 0.038 1.792 1.00 0.00 H new ATOM 0 HB3 LEU A 69 9.187 -0.695 2.828 1.00 0.00 H new ATOM 0 HG LEU A 69 7.101 0.872 4.263 1.00 0.00 H new ATOM 0 HD11 LEU A 69 5.437 -0.973 4.015 1.00 0.00 H new ATOM 0 HD12 LEU A 69 5.788 -0.219 2.442 1.00 0.00 H new ATOM 0 HD13 LEU A 69 6.520 -1.786 2.860 1.00 0.00 H new ATOM 0 HD21 LEU A 69 7.181 -1.094 5.758 1.00 0.00 H new ATOM 0 HD22 LEU A 69 8.238 -1.934 4.599 1.00 0.00 H new ATOM 0 HD23 LEU A 69 8.816 -0.471 5.430 1.00 0.00 H new ATOM 1068 N LYS A 70 10.852 0.539 4.357 1.00 0.00 N ATOM 1069 CA LYS A 70 11.703 0.484 5.581 1.00 0.00 C ATOM 1070 C LYS A 70 12.176 1.898 5.931 1.00 0.00 C ATOM 1071 O LYS A 70 12.353 2.235 7.084 1.00 0.00 O ATOM 1072 CB LYS A 70 12.919 -0.411 5.321 1.00 0.00 C ATOM 1073 CG LYS A 70 13.573 -0.785 6.652 1.00 0.00 C ATOM 1074 CD LYS A 70 15.038 -1.158 6.415 1.00 0.00 C ATOM 1075 CE LYS A 70 15.118 -2.321 5.423 1.00 0.00 C ATOM 1076 NZ LYS A 70 16.308 -3.161 5.736 1.00 0.00 N ATOM 0 H LYS A 70 11.035 -0.193 3.671 1.00 0.00 H new ATOM 0 HA LYS A 70 11.124 0.075 6.409 1.00 0.00 H new ATOM 0 HB2 LYS A 70 12.613 -1.312 4.788 1.00 0.00 H new ATOM 0 HB3 LYS A 70 13.636 0.108 4.685 1.00 0.00 H new ATOM 0 HG2 LYS A 70 13.508 0.051 7.349 1.00 0.00 H new ATOM 0 HG3 LYS A 70 13.043 -1.622 7.107 1.00 0.00 H new ATOM 0 HD2 LYS A 70 15.585 -0.298 6.028 1.00 0.00 H new ATOM 0 HD3 LYS A 70 15.510 -1.437 7.357 1.00 0.00 H new ATOM 0 HE2 LYS A 70 14.211 -2.922 5.478 1.00 0.00 H new ATOM 0 HE3 LYS A 70 15.187 -1.940 4.404 1.00 0.00 H new ATOM 0 HZ1 LYS A 70 16.362 -3.951 5.062 1.00 0.00 H new ATOM 0 HZ2 LYS A 70 17.170 -2.583 5.662 1.00 0.00 H new ATOM 0 HZ3 LYS A 70 16.224 -3.536 6.703 1.00 0.00 H new ATOM 1090 N THR A 71 12.366 2.733 4.943 1.00 0.00 N ATOM 1091 CA THR A 71 12.809 4.127 5.225 1.00 0.00 C ATOM 1092 C THR A 71 11.717 4.831 6.030 1.00 0.00 C ATOM 1093 O THR A 71 11.987 5.543 6.976 1.00 0.00 O ATOM 1094 CB THR A 71 13.042 4.875 3.909 1.00 0.00 C ATOM 1095 OG1 THR A 71 14.290 4.482 3.357 1.00 0.00 O ATOM 1096 CG2 THR A 71 13.050 6.382 4.169 1.00 0.00 C ATOM 0 H THR A 71 12.234 2.509 3.957 1.00 0.00 H new ATOM 0 HA THR A 71 13.741 4.113 5.791 1.00 0.00 H new ATOM 0 HB THR A 71 12.242 4.634 3.209 1.00 0.00 H new ATOM 0 HG1 THR A 71 14.183 3.633 2.879 1.00 0.00 H new ATOM 0 HG21 THR A 71 13.216 6.912 3.231 1.00 0.00 H new ATOM 0 HG22 THR A 71 12.091 6.683 4.592 1.00 0.00 H new ATOM 0 HG23 THR A 71 13.848 6.626 4.870 1.00 0.00 H new ATOM 1104 N ILE A 72 10.480 4.624 5.666 1.00 0.00 N ATOM 1105 CA ILE A 72 9.364 5.263 6.416 1.00 0.00 C ATOM 1106 C ILE A 72 9.456 4.828 7.876 1.00 0.00 C ATOM 1107 O ILE A 72 9.242 5.605 8.786 1.00 0.00 O ATOM 1108 CB ILE A 72 8.018 4.805 5.838 1.00 0.00 C ATOM 1109 CG1 ILE A 72 8.002 5.018 4.320 1.00 0.00 C ATOM 1110 CG2 ILE A 72 6.885 5.618 6.471 1.00 0.00 C ATOM 1111 CD1 ILE A 72 6.778 4.326 3.709 1.00 0.00 C ATOM 0 H ILE A 72 10.195 4.039 4.880 1.00 0.00 H new ATOM 0 HA ILE A 72 9.436 6.348 6.334 1.00 0.00 H new ATOM 0 HB ILE A 72 7.879 3.746 6.057 1.00 0.00 H new ATOM 0 HG12 ILE A 72 7.979 6.084 4.094 1.00 0.00 H new ATOM 0 HG13 ILE A 72 8.915 4.618 3.878 1.00 0.00 H new ATOM 0 HG21 ILE A 72 5.930 5.292 6.060 1.00 0.00 H new ATOM 0 HG22 ILE A 72 6.887 5.465 7.550 1.00 0.00 H new ATOM 0 HG23 ILE A 72 7.031 6.676 6.254 1.00 0.00 H new ATOM 0 HD11 ILE A 72 6.773 4.481 2.630 1.00 0.00 H new ATOM 0 HD12 ILE A 72 6.820 3.258 3.922 1.00 0.00 H new ATOM 0 HD13 ILE A 72 5.869 4.746 4.140 1.00 0.00 H new ATOM 1123 N ARG A 73 9.776 3.583 8.105 1.00 0.00 N ATOM 1124 CA ARG A 73 9.886 3.085 9.503 1.00 0.00 C ATOM 1125 C ARG A 73 11.094 3.734 10.183 1.00 0.00 C ATOM 1126 O ARG A 73 11.349 3.520 11.352 1.00 0.00 O ATOM 1127 CB ARG A 73 10.061 1.565 9.490 1.00 0.00 C ATOM 1128 CG ARG A 73 9.176 0.941 10.571 1.00 0.00 C ATOM 1129 CD ARG A 73 9.396 -0.572 10.600 1.00 0.00 C ATOM 1130 NE ARG A 73 8.333 -1.213 11.424 1.00 0.00 N ATOM 1131 CZ ARG A 73 8.587 -1.574 12.652 1.00 0.00 C ATOM 1132 NH1 ARG A 73 9.458 -0.910 13.362 1.00 0.00 N ATOM 1133 NH2 ARG A 73 7.969 -2.600 13.171 1.00 0.00 N ATOM 0 H ARG A 73 9.966 2.889 7.382 1.00 0.00 H new ATOM 0 HA ARG A 73 8.980 3.341 10.053 1.00 0.00 H new ATOM 0 HB2 ARG A 73 9.794 1.166 8.511 1.00 0.00 H new ATOM 0 HB3 ARG A 73 11.105 1.307 9.666 1.00 0.00 H new ATOM 0 HG2 ARG A 73 9.413 1.372 11.544 1.00 0.00 H new ATOM 0 HG3 ARG A 73 8.128 1.163 10.371 1.00 0.00 H new ATOM 0 HD2 ARG A 73 9.376 -0.973 9.586 1.00 0.00 H new ATOM 0 HD3 ARG A 73 10.378 -0.799 11.014 1.00 0.00 H new ATOM 0 HE ARG A 73 7.406 -1.370 11.028 1.00 0.00 H new ATOM 0 HH11 ARG A 73 9.941 -0.108 12.957 1.00 0.00 H new ATOM 0 HH12 ARG A 73 9.656 -1.193 14.322 1.00 0.00 H new ATOM 0 HH21 ARG A 73 7.288 -3.119 12.617 1.00 0.00 H new ATOM 0 HH22 ARG A 73 8.167 -2.883 14.131 1.00 0.00 H new ATOM 1147 N ALA A 74 11.839 4.525 9.462 1.00 0.00 N ATOM 1148 CA ALA A 74 13.029 5.187 10.068 1.00 0.00 C ATOM 1149 C ALA A 74 12.568 6.189 11.129 1.00 0.00 C ATOM 1150 O ALA A 74 13.265 6.456 12.087 1.00 0.00 O ATOM 1151 CB ALA A 74 13.813 5.923 8.980 1.00 0.00 C ATOM 0 H ALA A 74 11.675 4.742 8.479 1.00 0.00 H new ATOM 0 HA ALA A 74 13.668 4.434 10.530 1.00 0.00 H new ATOM 0 HB1 ALA A 74 14.683 6.407 9.423 1.00 0.00 H new ATOM 0 HB2 ALA A 74 14.140 5.211 8.223 1.00 0.00 H new ATOM 0 HB3 ALA A 74 13.175 6.676 8.518 1.00 0.00 H new ATOM 1157 N ASP A 75 11.400 6.746 10.964 1.00 0.00 N ATOM 1158 CA ASP A 75 10.899 7.731 11.961 1.00 0.00 C ATOM 1159 C ASP A 75 10.489 6.999 13.241 1.00 0.00 C ATOM 1160 O ASP A 75 9.908 5.932 13.198 1.00 0.00 O ATOM 1161 CB ASP A 75 9.688 8.468 11.385 1.00 0.00 C ATOM 1162 CG ASP A 75 9.377 9.692 12.249 1.00 0.00 C ATOM 1163 OD1 ASP A 75 10.043 9.865 13.256 1.00 0.00 O ATOM 1164 OD2 ASP A 75 8.480 10.435 11.888 1.00 0.00 O ATOM 0 H ASP A 75 10.772 6.561 10.182 1.00 0.00 H new ATOM 0 HA ASP A 75 11.687 8.449 12.190 1.00 0.00 H new ATOM 0 HB2 ASP A 75 9.890 8.776 10.359 1.00 0.00 H new ATOM 0 HB3 ASP A 75 8.825 7.803 11.354 1.00 0.00 H new ATOM 1169 N GLY A 76 10.786 7.563 14.380 1.00 0.00 N ATOM 1170 CA GLY A 76 10.414 6.900 15.663 1.00 0.00 C ATOM 1171 C GLY A 76 9.068 7.442 16.147 1.00 0.00 C ATOM 1172 O GLY A 76 9.005 8.298 17.007 1.00 0.00 O ATOM 0 H GLY A 76 11.271 8.455 14.478 1.00 0.00 H new ATOM 0 HA2 GLY A 76 10.354 5.821 15.523 1.00 0.00 H new ATOM 0 HA3 GLY A 76 11.182 7.082 16.414 1.00 0.00 H new ATOM 1176 N ALA A 77 7.989 6.951 15.602 1.00 0.00 N ATOM 1177 CA ALA A 77 6.648 7.440 16.032 1.00 0.00 C ATOM 1178 C ALA A 77 5.561 6.556 15.415 1.00 0.00 C ATOM 1179 O ALA A 77 5.051 5.651 16.045 1.00 0.00 O ATOM 1180 CB ALA A 77 6.458 8.884 15.565 1.00 0.00 C ATOM 0 H ALA A 77 7.978 6.233 14.878 1.00 0.00 H new ATOM 0 HA ALA A 77 6.577 7.398 17.119 1.00 0.00 H new ATOM 0 HB1 ALA A 77 5.478 9.242 15.879 1.00 0.00 H new ATOM 0 HB2 ALA A 77 7.232 9.513 16.004 1.00 0.00 H new ATOM 0 HB3 ALA A 77 6.529 8.927 14.478 1.00 0.00 H new ATOM 1186 N MET A 78 5.202 6.810 14.185 1.00 0.00 N ATOM 1187 CA MET A 78 4.150 5.983 13.530 1.00 0.00 C ATOM 1188 C MET A 78 4.810 4.836 12.762 1.00 0.00 C ATOM 1189 O MET A 78 4.174 4.145 11.993 1.00 0.00 O ATOM 1190 CB MET A 78 3.349 6.851 12.556 1.00 0.00 C ATOM 1191 CG MET A 78 3.618 8.329 12.844 1.00 0.00 C ATOM 1192 SD MET A 78 2.483 9.350 11.870 1.00 0.00 S ATOM 1193 CE MET A 78 1.228 9.580 13.153 1.00 0.00 C ATOM 0 H MET A 78 5.592 7.554 13.607 1.00 0.00 H new ATOM 0 HA MET A 78 3.482 5.578 14.290 1.00 0.00 H new ATOM 0 HB2 MET A 78 3.627 6.614 11.529 1.00 0.00 H new ATOM 0 HB3 MET A 78 2.284 6.639 12.655 1.00 0.00 H new ATOM 0 HG2 MET A 78 3.487 8.533 13.907 1.00 0.00 H new ATOM 0 HG3 MET A 78 4.650 8.577 12.597 1.00 0.00 H new ATOM 0 HE1 MET A 78 0.416 10.194 12.762 1.00 0.00 H new ATOM 0 HE2 MET A 78 0.835 8.609 13.456 1.00 0.00 H new ATOM 0 HE3 MET A 78 1.675 10.076 14.015 1.00 0.00 H new ATOM 1203 N SER A 79 6.081 4.627 12.962 1.00 0.00 N ATOM 1204 CA SER A 79 6.772 3.525 12.235 1.00 0.00 C ATOM 1205 C SER A 79 6.503 3.666 10.735 1.00 0.00 C ATOM 1206 O SER A 79 6.881 4.646 10.123 1.00 0.00 O ATOM 1207 CB SER A 79 6.241 2.176 12.724 1.00 0.00 C ATOM 1208 OG SER A 79 6.366 2.105 14.138 1.00 0.00 O ATOM 0 H SER A 79 6.670 5.169 13.595 1.00 0.00 H new ATOM 0 HA SER A 79 7.844 3.579 12.423 1.00 0.00 H new ATOM 0 HB2 SER A 79 5.197 2.056 12.434 1.00 0.00 H new ATOM 0 HB3 SER A 79 6.797 1.363 12.257 1.00 0.00 H new ATOM 0 HG SER A 79 6.025 1.242 14.454 1.00 0.00 H new ATOM 1214 N ALA A 80 5.854 2.695 10.145 1.00 0.00 N ATOM 1215 CA ALA A 80 5.551 2.760 8.683 1.00 0.00 C ATOM 1216 C ALA A 80 4.048 2.565 8.469 1.00 0.00 C ATOM 1217 O ALA A 80 3.564 2.582 7.354 1.00 0.00 O ATOM 1218 CB ALA A 80 6.313 1.652 7.954 1.00 0.00 C ATOM 0 H ALA A 80 5.519 1.855 10.616 1.00 0.00 H new ATOM 0 HA ALA A 80 5.856 3.730 8.291 1.00 0.00 H new ATOM 0 HB1 ALA A 80 6.092 1.699 6.888 1.00 0.00 H new ATOM 0 HB2 ALA A 80 7.384 1.784 8.109 1.00 0.00 H new ATOM 0 HB3 ALA A 80 6.007 0.682 8.345 1.00 0.00 H new ATOM 1224 N LEU A 81 3.309 2.402 9.534 1.00 0.00 N ATOM 1225 CA LEU A 81 1.847 2.225 9.422 1.00 0.00 C ATOM 1226 C LEU A 81 1.551 1.077 8.428 1.00 0.00 C ATOM 1227 O LEU A 81 2.460 0.581 7.793 1.00 0.00 O ATOM 1228 CB LEU A 81 1.269 3.553 8.938 1.00 0.00 C ATOM 1229 CG LEU A 81 0.314 4.177 9.981 1.00 0.00 C ATOM 1230 CD1 LEU A 81 1.109 5.079 10.921 1.00 0.00 C ATOM 1231 CD2 LEU A 81 -0.737 5.027 9.274 1.00 0.00 C ATOM 0 H LEU A 81 3.670 2.385 10.488 1.00 0.00 H new ATOM 0 HA LEU A 81 1.393 1.958 10.376 1.00 0.00 H new ATOM 0 HB2 LEU A 81 2.082 4.248 8.728 1.00 0.00 H new ATOM 0 HB3 LEU A 81 0.733 3.397 8.002 1.00 0.00 H new ATOM 0 HG LEU A 81 -0.169 3.377 10.542 1.00 0.00 H new ATOM 0 HD11 LEU A 81 0.437 5.520 11.657 1.00 0.00 H new ATOM 0 HD12 LEU A 81 1.871 4.491 11.432 1.00 0.00 H new ATOM 0 HD13 LEU A 81 1.588 5.872 10.346 1.00 0.00 H new ATOM 0 HD21 LEU A 81 -1.408 5.465 10.013 1.00 0.00 H new ATOM 0 HD22 LEU A 81 -0.245 5.822 8.714 1.00 0.00 H new ATOM 0 HD23 LEU A 81 -1.310 4.402 8.589 1.00 0.00 H new ATOM 1243 N PRO A 82 0.304 0.654 8.334 1.00 0.00 N ATOM 1244 CA PRO A 82 -0.068 -0.457 7.435 1.00 0.00 C ATOM 1245 C PRO A 82 0.197 -0.143 5.959 1.00 0.00 C ATOM 1246 O PRO A 82 -0.134 0.917 5.448 1.00 0.00 O ATOM 1247 CB PRO A 82 -1.569 -0.669 7.655 1.00 0.00 C ATOM 1248 CG PRO A 82 -2.038 0.350 8.718 1.00 0.00 C ATOM 1249 CD PRO A 82 -0.830 1.220 9.097 1.00 0.00 C ATOM 0 HA PRO A 82 0.530 -1.339 7.662 1.00 0.00 H new ATOM 0 HB2 PRO A 82 -2.116 -0.528 6.723 1.00 0.00 H new ATOM 0 HB3 PRO A 82 -1.766 -1.688 7.989 1.00 0.00 H new ATOM 0 HG2 PRO A 82 -2.846 0.968 8.325 1.00 0.00 H new ATOM 0 HG3 PRO A 82 -2.428 -0.165 9.596 1.00 0.00 H new ATOM 0 HD2 PRO A 82 -0.999 2.265 8.836 1.00 0.00 H new ATOM 0 HD3 PRO A 82 -0.640 1.186 10.170 1.00 0.00 H new ATOM 1257 N VAL A 83 0.752 -1.099 5.268 1.00 0.00 N ATOM 1258 CA VAL A 83 1.014 -0.948 3.812 1.00 0.00 C ATOM 1259 C VAL A 83 0.457 -2.172 3.125 1.00 0.00 C ATOM 1260 O VAL A 83 0.615 -3.274 3.609 1.00 0.00 O ATOM 1261 CB VAL A 83 2.519 -0.887 3.528 1.00 0.00 C ATOM 1262 CG1 VAL A 83 2.806 -1.493 2.134 1.00 0.00 C ATOM 1263 CG2 VAL A 83 2.975 0.573 3.533 1.00 0.00 C ATOM 0 H VAL A 83 1.040 -1.995 5.660 1.00 0.00 H new ATOM 0 HA VAL A 83 0.553 -0.027 3.454 1.00 0.00 H new ATOM 0 HB VAL A 83 3.054 -1.449 4.294 1.00 0.00 H new ATOM 0 HG11 VAL A 83 3.876 -1.450 1.932 1.00 0.00 H new ATOM 0 HG12 VAL A 83 2.474 -2.531 2.113 1.00 0.00 H new ATOM 0 HG13 VAL A 83 2.270 -0.926 1.373 1.00 0.00 H new ATOM 0 HG21 VAL A 83 4.045 0.621 3.331 1.00 0.00 H new ATOM 0 HG22 VAL A 83 2.436 1.125 2.763 1.00 0.00 H new ATOM 0 HG23 VAL A 83 2.769 1.015 4.508 1.00 0.00 H new ATOM 1273 N LEU A 84 -0.153 -1.996 1.993 1.00 0.00 N ATOM 1274 CA LEU A 84 -0.688 -3.166 1.256 1.00 0.00 C ATOM 1275 C LEU A 84 0.025 -3.256 -0.088 1.00 0.00 C ATOM 1276 O LEU A 84 -0.555 -3.039 -1.131 1.00 0.00 O ATOM 1277 CB LEU A 84 -2.197 -3.004 1.059 1.00 0.00 C ATOM 1278 CG LEU A 84 -2.790 -4.271 0.433 1.00 0.00 C ATOM 1279 CD1 LEU A 84 -2.597 -5.469 1.370 1.00 0.00 C ATOM 1280 CD2 LEU A 84 -4.285 -4.058 0.197 1.00 0.00 C ATOM 0 H LEU A 84 -0.305 -1.092 1.546 1.00 0.00 H new ATOM 0 HA LEU A 84 -0.515 -4.083 1.819 1.00 0.00 H new ATOM 0 HB2 LEU A 84 -2.677 -2.805 2.017 1.00 0.00 H new ATOM 0 HB3 LEU A 84 -2.397 -2.145 0.418 1.00 0.00 H new ATOM 0 HG LEU A 84 -2.283 -4.472 -0.510 1.00 0.00 H new ATOM 0 HD11 LEU A 84 -3.023 -6.362 0.912 1.00 0.00 H new ATOM 0 HD12 LEU A 84 -1.533 -5.625 1.547 1.00 0.00 H new ATOM 0 HD13 LEU A 84 -3.098 -5.274 2.318 1.00 0.00 H new ATOM 0 HD21 LEU A 84 -4.715 -4.955 -0.248 1.00 0.00 H new ATOM 0 HD22 LEU A 84 -4.778 -3.853 1.147 1.00 0.00 H new ATOM 0 HD23 LEU A 84 -4.430 -3.213 -0.477 1.00 0.00 H new ATOM 1292 N MET A 85 1.293 -3.569 -0.065 1.00 0.00 N ATOM 1293 CA MET A 85 2.055 -3.669 -1.336 1.00 0.00 C ATOM 1294 C MET A 85 1.435 -4.775 -2.199 1.00 0.00 C ATOM 1295 O MET A 85 1.173 -5.862 -1.719 1.00 0.00 O ATOM 1296 CB MET A 85 3.516 -4.009 -1.034 1.00 0.00 C ATOM 1297 CG MET A 85 3.607 -5.423 -0.459 1.00 0.00 C ATOM 1298 SD MET A 85 3.765 -6.617 -1.810 1.00 0.00 S ATOM 1299 CE MET A 85 5.110 -7.595 -1.096 1.00 0.00 C ATOM 0 H MET A 85 1.831 -3.759 0.781 1.00 0.00 H new ATOM 0 HA MET A 85 2.014 -2.719 -1.868 1.00 0.00 H new ATOM 0 HB2 MET A 85 4.112 -3.937 -1.944 1.00 0.00 H new ATOM 0 HB3 MET A 85 3.928 -3.290 -0.325 1.00 0.00 H new ATOM 0 HG2 MET A 85 4.464 -5.500 0.210 1.00 0.00 H new ATOM 0 HG3 MET A 85 2.719 -5.644 0.133 1.00 0.00 H new ATOM 0 HE1 MET A 85 5.597 -8.172 -1.882 1.00 0.00 H new ATOM 0 HE2 MET A 85 5.837 -6.929 -0.631 1.00 0.00 H new ATOM 0 HE3 MET A 85 4.707 -8.274 -0.345 1.00 0.00 H new ATOM 1309 N VAL A 86 1.177 -4.508 -3.456 1.00 0.00 N ATOM 1310 CA VAL A 86 0.556 -5.538 -4.331 1.00 0.00 C ATOM 1311 C VAL A 86 1.557 -6.045 -5.367 1.00 0.00 C ATOM 1312 O VAL A 86 2.281 -5.287 -5.976 1.00 0.00 O ATOM 1313 CB VAL A 86 -0.661 -4.917 -5.015 1.00 0.00 C ATOM 1314 CG1 VAL A 86 -1.304 -3.898 -4.072 1.00 0.00 C ATOM 1315 CG2 VAL A 86 -0.256 -4.215 -6.312 1.00 0.00 C ATOM 0 H VAL A 86 1.372 -3.616 -3.911 1.00 0.00 H new ATOM 0 HA VAL A 86 0.247 -6.394 -3.731 1.00 0.00 H new ATOM 0 HB VAL A 86 -1.369 -5.711 -5.253 1.00 0.00 H new ATOM 0 HG11 VAL A 86 -2.173 -3.452 -4.556 1.00 0.00 H new ATOM 0 HG12 VAL A 86 -1.616 -4.397 -3.155 1.00 0.00 H new ATOM 0 HG13 VAL A 86 -0.582 -3.117 -3.833 1.00 0.00 H new ATOM 0 HG21 VAL A 86 -1.139 -3.781 -6.781 1.00 0.00 H new ATOM 0 HG22 VAL A 86 0.462 -3.426 -6.090 1.00 0.00 H new ATOM 0 HG23 VAL A 86 0.197 -4.938 -6.991 1.00 0.00 H new ATOM 1325 N THR A 87 1.606 -7.338 -5.566 1.00 0.00 N ATOM 1326 CA THR A 87 2.567 -7.893 -6.565 1.00 0.00 C ATOM 1327 C THR A 87 1.996 -9.177 -7.166 1.00 0.00 C ATOM 1328 O THR A 87 1.173 -9.840 -6.568 1.00 0.00 O ATOM 1329 CB THR A 87 3.905 -8.194 -5.882 1.00 0.00 C ATOM 1330 OG1 THR A 87 4.909 -8.374 -6.872 1.00 0.00 O ATOM 1331 CG2 THR A 87 3.779 -9.466 -5.046 1.00 0.00 C ATOM 0 H THR A 87 1.028 -8.027 -5.085 1.00 0.00 H new ATOM 0 HA THR A 87 2.725 -7.162 -7.358 1.00 0.00 H new ATOM 0 HB THR A 87 4.177 -7.362 -5.233 1.00 0.00 H new ATOM 0 HG1 THR A 87 5.766 -8.565 -6.437 1.00 0.00 H new ATOM 0 HG21 THR A 87 4.732 -9.678 -4.561 1.00 0.00 H new ATOM 0 HG22 THR A 87 3.008 -9.328 -4.287 1.00 0.00 H new ATOM 0 HG23 THR A 87 3.507 -10.301 -5.692 1.00 0.00 H new ATOM 1339 N ALA A 88 2.426 -9.535 -8.343 1.00 0.00 N ATOM 1340 CA ALA A 88 1.905 -10.778 -8.978 1.00 0.00 C ATOM 1341 C ALA A 88 2.717 -11.980 -8.490 1.00 0.00 C ATOM 1342 O ALA A 88 3.845 -11.844 -8.065 1.00 0.00 O ATOM 1343 CB ALA A 88 2.029 -10.662 -10.497 1.00 0.00 C ATOM 0 H ALA A 88 3.115 -9.022 -8.893 1.00 0.00 H new ATOM 0 HA ALA A 88 0.858 -10.914 -8.707 1.00 0.00 H new ATOM 0 HB1 ALA A 88 1.648 -11.571 -10.964 1.00 0.00 H new ATOM 0 HB2 ALA A 88 1.451 -9.806 -10.845 1.00 0.00 H new ATOM 0 HB3 ALA A 88 3.076 -10.527 -10.767 1.00 0.00 H new ATOM 1349 N GLU A 89 2.147 -13.154 -8.554 1.00 0.00 N ATOM 1350 CA GLU A 89 2.875 -14.380 -8.104 1.00 0.00 C ATOM 1351 C GLU A 89 3.262 -14.254 -6.627 1.00 0.00 C ATOM 1352 O GLU A 89 2.658 -14.869 -5.770 1.00 0.00 O ATOM 1353 CB GLU A 89 4.138 -14.569 -8.956 1.00 0.00 C ATOM 1354 CG GLU A 89 4.702 -15.981 -8.752 1.00 0.00 C ATOM 1355 CD GLU A 89 5.343 -16.082 -7.366 1.00 0.00 C ATOM 1356 OE1 GLU A 89 6.199 -15.263 -7.070 1.00 0.00 O ATOM 1357 OE2 GLU A 89 4.967 -16.973 -6.623 1.00 0.00 O ATOM 0 H GLU A 89 1.202 -13.319 -8.901 1.00 0.00 H new ATOM 0 HA GLU A 89 2.222 -15.245 -8.224 1.00 0.00 H new ATOM 0 HB2 GLU A 89 3.904 -14.411 -10.009 1.00 0.00 H new ATOM 0 HB3 GLU A 89 4.887 -13.826 -8.681 1.00 0.00 H new ATOM 0 HG2 GLU A 89 3.906 -16.719 -8.850 1.00 0.00 H new ATOM 0 HG3 GLU A 89 5.440 -16.204 -9.522 1.00 0.00 H new ATOM 1364 N ALA A 90 4.274 -13.477 -6.327 1.00 0.00 N ATOM 1365 CA ALA A 90 4.720 -13.318 -4.908 1.00 0.00 C ATOM 1366 C ALA A 90 5.567 -14.528 -4.508 1.00 0.00 C ATOM 1367 O ALA A 90 5.056 -15.568 -4.145 1.00 0.00 O ATOM 1368 CB ALA A 90 3.505 -13.207 -3.980 1.00 0.00 C ATOM 0 H ALA A 90 4.813 -12.943 -7.009 1.00 0.00 H new ATOM 0 HA ALA A 90 5.313 -12.408 -4.818 1.00 0.00 H new ATOM 0 HB1 ALA A 90 3.843 -13.092 -2.950 1.00 0.00 H new ATOM 0 HB2 ALA A 90 2.907 -12.341 -4.265 1.00 0.00 H new ATOM 0 HB3 ALA A 90 2.899 -14.109 -4.064 1.00 0.00 H new ATOM 1374 N LYS A 91 6.865 -14.402 -4.577 1.00 0.00 N ATOM 1375 CA LYS A 91 7.747 -15.539 -4.207 1.00 0.00 C ATOM 1376 C LYS A 91 7.464 -15.955 -2.763 1.00 0.00 C ATOM 1377 O LYS A 91 6.443 -16.543 -2.463 1.00 0.00 O ATOM 1378 CB LYS A 91 9.206 -15.102 -4.336 1.00 0.00 C ATOM 1379 CG LYS A 91 9.588 -15.018 -5.816 1.00 0.00 C ATOM 1380 CD LYS A 91 10.469 -16.212 -6.185 1.00 0.00 C ATOM 1381 CE LYS A 91 11.869 -16.025 -5.592 1.00 0.00 C ATOM 1382 NZ LYS A 91 12.294 -17.285 -4.921 1.00 0.00 N ATOM 0 H LYS A 91 7.351 -13.556 -4.875 1.00 0.00 H new ATOM 0 HA LYS A 91 7.556 -16.384 -4.869 1.00 0.00 H new ATOM 0 HB2 LYS A 91 9.350 -14.133 -3.857 1.00 0.00 H new ATOM 0 HB3 LYS A 91 9.855 -15.811 -3.822 1.00 0.00 H new ATOM 0 HG2 LYS A 91 8.690 -15.010 -6.434 1.00 0.00 H new ATOM 0 HG3 LYS A 91 10.119 -14.087 -6.013 1.00 0.00 H new ATOM 0 HD2 LYS A 91 10.025 -17.134 -5.809 1.00 0.00 H new ATOM 0 HD3 LYS A 91 10.533 -16.308 -7.269 1.00 0.00 H new ATOM 0 HE2 LYS A 91 12.577 -15.762 -6.378 1.00 0.00 H new ATOM 0 HE3 LYS A 91 11.866 -15.202 -4.877 1.00 0.00 H new ATOM 0 HZ1 LYS A 91 13.244 -17.160 -4.518 1.00 0.00 H new ATOM 0 HZ2 LYS A 91 11.623 -17.517 -4.161 1.00 0.00 H new ATOM 0 HZ3 LYS A 91 12.312 -18.059 -5.615 1.00 0.00 H new ATOM 1396 N LYS A 92 8.362 -15.657 -1.865 1.00 0.00 N ATOM 1397 CA LYS A 92 8.149 -16.035 -0.441 1.00 0.00 C ATOM 1398 C LYS A 92 9.107 -15.234 0.445 1.00 0.00 C ATOM 1399 O LYS A 92 8.698 -14.371 1.194 1.00 0.00 O ATOM 1400 CB LYS A 92 8.417 -17.532 -0.269 1.00 0.00 C ATOM 1401 CG LYS A 92 7.634 -18.057 0.936 1.00 0.00 C ATOM 1402 CD LYS A 92 8.294 -19.337 1.454 1.00 0.00 C ATOM 1403 CE LYS A 92 7.235 -20.243 2.084 1.00 0.00 C ATOM 1404 NZ LYS A 92 7.881 -21.140 3.085 1.00 0.00 N ATOM 0 H LYS A 92 9.236 -15.167 -2.057 1.00 0.00 H new ATOM 0 HA LYS A 92 7.121 -15.816 -0.152 1.00 0.00 H new ATOM 0 HB2 LYS A 92 8.123 -18.071 -1.170 1.00 0.00 H new ATOM 0 HB3 LYS A 92 9.483 -17.707 -0.127 1.00 0.00 H new ATOM 0 HG2 LYS A 92 7.609 -17.304 1.723 1.00 0.00 H new ATOM 0 HG3 LYS A 92 6.601 -18.257 0.653 1.00 0.00 H new ATOM 0 HD2 LYS A 92 8.792 -19.858 0.636 1.00 0.00 H new ATOM 0 HD3 LYS A 92 9.060 -19.091 2.189 1.00 0.00 H new ATOM 0 HE2 LYS A 92 6.464 -19.640 2.564 1.00 0.00 H new ATOM 0 HE3 LYS A 92 6.742 -20.836 1.313 1.00 0.00 H new ATOM 0 HZ1 LYS A 92 7.162 -21.757 3.514 1.00 0.00 H new ATOM 0 HZ2 LYS A 92 8.601 -21.724 2.614 1.00 0.00 H new ATOM 0 HZ3 LYS A 92 8.331 -20.566 3.826 1.00 0.00 H new ATOM 1418 N GLU A 93 10.379 -15.513 0.364 1.00 0.00 N ATOM 1419 CA GLU A 93 11.358 -14.768 1.197 1.00 0.00 C ATOM 1420 C GLU A 93 11.156 -13.264 0.995 1.00 0.00 C ATOM 1421 O GLU A 93 11.626 -12.455 1.770 1.00 0.00 O ATOM 1422 CB GLU A 93 12.779 -15.152 0.781 1.00 0.00 C ATOM 1423 CG GLU A 93 13.092 -16.565 1.276 1.00 0.00 C ATOM 1424 CD GLU A 93 14.547 -16.909 0.955 1.00 0.00 C ATOM 1425 OE1 GLU A 93 15.416 -16.471 1.691 1.00 0.00 O ATOM 1426 OE2 GLU A 93 14.769 -17.607 -0.022 1.00 0.00 O ATOM 0 H GLU A 93 10.781 -16.226 -0.245 1.00 0.00 H new ATOM 0 HA GLU A 93 11.208 -15.018 2.247 1.00 0.00 H new ATOM 0 HB2 GLU A 93 12.877 -15.105 -0.304 1.00 0.00 H new ATOM 0 HB3 GLU A 93 13.495 -14.443 1.196 1.00 0.00 H new ATOM 0 HG2 GLU A 93 12.920 -16.631 2.350 1.00 0.00 H new ATOM 0 HG3 GLU A 93 12.424 -17.284 0.801 1.00 0.00 H new ATOM 1433 N ASN A 94 10.464 -12.885 -0.044 1.00 0.00 N ATOM 1434 CA ASN A 94 10.234 -11.438 -0.303 1.00 0.00 C ATOM 1435 C ASN A 94 9.119 -10.923 0.611 1.00 0.00 C ATOM 1436 O ASN A 94 9.092 -9.766 0.983 1.00 0.00 O ATOM 1437 CB ASN A 94 9.823 -11.248 -1.765 1.00 0.00 C ATOM 1438 CG ASN A 94 11.073 -11.151 -2.641 1.00 0.00 C ATOM 1439 OD1 ASN A 94 11.192 -11.847 -3.629 1.00 0.00 O ATOM 1440 ND2 ASN A 94 12.018 -10.310 -2.318 1.00 0.00 N ATOM 0 H ASN A 94 10.047 -13.518 -0.726 1.00 0.00 H new ATOM 0 HA ASN A 94 11.150 -10.881 -0.103 1.00 0.00 H new ATOM 0 HB2 ASN A 94 9.203 -12.083 -2.090 1.00 0.00 H new ATOM 0 HB3 ASN A 94 9.222 -10.345 -1.870 1.00 0.00 H new ATOM 0 HD21 ASN A 94 12.856 -10.238 -2.895 1.00 0.00 H new ATOM 0 HD22 ASN A 94 11.919 -9.725 -1.488 1.00 0.00 H new ATOM 1447 N ILE A 95 8.198 -11.772 0.976 1.00 0.00 N ATOM 1448 CA ILE A 95 7.085 -11.331 1.862 1.00 0.00 C ATOM 1449 C ILE A 95 7.562 -11.310 3.317 1.00 0.00 C ATOM 1450 O ILE A 95 6.932 -10.728 4.177 1.00 0.00 O ATOM 1451 CB ILE A 95 5.911 -12.304 1.727 1.00 0.00 C ATOM 1452 CG1 ILE A 95 5.698 -12.647 0.250 1.00 0.00 C ATOM 1453 CG2 ILE A 95 4.643 -11.660 2.290 1.00 0.00 C ATOM 1454 CD1 ILE A 95 5.667 -11.360 -0.578 1.00 0.00 C ATOM 0 H ILE A 95 8.169 -12.753 0.698 1.00 0.00 H new ATOM 0 HA ILE A 95 6.767 -10.330 1.571 1.00 0.00 H new ATOM 0 HB ILE A 95 6.131 -13.215 2.283 1.00 0.00 H new ATOM 0 HG12 ILE A 95 6.498 -13.298 -0.101 1.00 0.00 H new ATOM 0 HG13 ILE A 95 4.764 -13.194 0.125 1.00 0.00 H new ATOM 0 HG21 ILE A 95 3.808 -12.354 2.193 1.00 0.00 H new ATOM 0 HG22 ILE A 95 4.794 -11.419 3.342 1.00 0.00 H new ATOM 0 HG23 ILE A 95 4.422 -10.747 1.737 1.00 0.00 H new ATOM 0 HD11 ILE A 95 5.515 -11.607 -1.629 1.00 0.00 H new ATOM 0 HD12 ILE A 95 4.851 -10.725 -0.233 1.00 0.00 H new ATOM 0 HD13 ILE A 95 6.613 -10.830 -0.463 1.00 0.00 H new ATOM 1466 N ILE A 96 8.667 -11.944 3.600 1.00 0.00 N ATOM 1467 CA ILE A 96 9.174 -11.961 5.001 1.00 0.00 C ATOM 1468 C ILE A 96 9.944 -10.673 5.288 1.00 0.00 C ATOM 1469 O ILE A 96 9.549 -9.874 6.113 1.00 0.00 O ATOM 1470 CB ILE A 96 10.098 -13.164 5.196 1.00 0.00 C ATOM 1471 CG1 ILE A 96 9.255 -14.409 5.482 1.00 0.00 C ATOM 1472 CG2 ILE A 96 11.038 -12.903 6.374 1.00 0.00 C ATOM 1473 CD1 ILE A 96 10.133 -15.657 5.375 1.00 0.00 C ATOM 0 H ILE A 96 9.239 -12.450 2.924 1.00 0.00 H new ATOM 0 HA ILE A 96 8.331 -12.036 5.687 1.00 0.00 H new ATOM 0 HB ILE A 96 10.687 -13.321 4.292 1.00 0.00 H new ATOM 0 HG12 ILE A 96 8.818 -14.344 6.478 1.00 0.00 H new ATOM 0 HG13 ILE A 96 8.428 -14.472 4.774 1.00 0.00 H new ATOM 0 HG21 ILE A 96 11.696 -13.761 6.512 1.00 0.00 H new ATOM 0 HG22 ILE A 96 11.637 -12.015 6.172 1.00 0.00 H new ATOM 0 HG23 ILE A 96 10.452 -12.746 7.279 1.00 0.00 H new ATOM 0 HD11 ILE A 96 9.532 -16.543 5.579 1.00 0.00 H new ATOM 0 HD12 ILE A 96 10.549 -15.724 4.370 1.00 0.00 H new ATOM 0 HD13 ILE A 96 10.944 -15.594 6.100 1.00 0.00 H new ATOM 1485 N ALA A 97 11.042 -10.469 4.617 1.00 0.00 N ATOM 1486 CA ALA A 97 11.842 -9.233 4.849 1.00 0.00 C ATOM 1487 C ALA A 97 10.911 -8.024 4.871 1.00 0.00 C ATOM 1488 O ALA A 97 10.978 -7.189 5.750 1.00 0.00 O ATOM 1489 CB ALA A 97 12.866 -9.069 3.723 1.00 0.00 C ATOM 0 H ALA A 97 11.422 -11.106 3.916 1.00 0.00 H new ATOM 0 HA ALA A 97 12.362 -9.309 5.804 1.00 0.00 H new ATOM 0 HB1 ALA A 97 13.451 -8.165 3.892 1.00 0.00 H new ATOM 0 HB2 ALA A 97 13.530 -9.933 3.706 1.00 0.00 H new ATOM 0 HB3 ALA A 97 12.347 -8.992 2.768 1.00 0.00 H new ATOM 1495 N ALA A 98 10.043 -7.928 3.909 1.00 0.00 N ATOM 1496 CA ALA A 98 9.101 -6.778 3.864 1.00 0.00 C ATOM 1497 C ALA A 98 8.273 -6.737 5.150 1.00 0.00 C ATOM 1498 O ALA A 98 8.182 -5.719 5.806 1.00 0.00 O ATOM 1499 CB ALA A 98 8.166 -6.942 2.666 1.00 0.00 C ATOM 0 H ALA A 98 9.944 -8.599 3.147 1.00 0.00 H new ATOM 0 HA ALA A 98 9.665 -5.850 3.769 1.00 0.00 H new ATOM 0 HB1 ALA A 98 7.473 -6.102 2.628 1.00 0.00 H new ATOM 0 HB2 ALA A 98 8.753 -6.971 1.748 1.00 0.00 H new ATOM 0 HB3 ALA A 98 7.605 -7.871 2.767 1.00 0.00 H new ATOM 1505 N ALA A 99 7.661 -7.829 5.512 1.00 0.00 N ATOM 1506 CA ALA A 99 6.833 -7.845 6.747 1.00 0.00 C ATOM 1507 C ALA A 99 7.648 -7.312 7.925 1.00 0.00 C ATOM 1508 O ALA A 99 7.197 -6.463 8.667 1.00 0.00 O ATOM 1509 CB ALA A 99 6.390 -9.278 7.045 1.00 0.00 C ATOM 0 H ALA A 99 7.699 -8.713 5.004 1.00 0.00 H new ATOM 0 HA ALA A 99 5.957 -7.213 6.599 1.00 0.00 H new ATOM 0 HB1 ALA A 99 5.783 -9.290 7.950 1.00 0.00 H new ATOM 0 HB2 ALA A 99 5.803 -9.659 6.209 1.00 0.00 H new ATOM 0 HB3 ALA A 99 7.268 -9.908 7.188 1.00 0.00 H new ATOM 1515 N GLN A 100 8.845 -7.802 8.102 1.00 0.00 N ATOM 1516 CA GLN A 100 9.684 -7.319 9.233 1.00 0.00 C ATOM 1517 C GLN A 100 9.659 -5.794 9.247 1.00 0.00 C ATOM 1518 O GLN A 100 9.916 -5.163 10.252 1.00 0.00 O ATOM 1519 CB GLN A 100 11.120 -7.811 9.046 1.00 0.00 C ATOM 1520 CG GLN A 100 11.993 -7.292 10.191 1.00 0.00 C ATOM 1521 CD GLN A 100 13.107 -8.300 10.480 1.00 0.00 C ATOM 1522 OE1 GLN A 100 13.505 -9.105 9.532 1.00 0.00 O flip ATOM 1523 NE2 GLN A 100 13.620 -8.357 11.580 1.00 0.00 N flip ATOM 0 H GLN A 100 9.277 -8.514 7.513 1.00 0.00 H new ATOM 0 HA GLN A 100 9.296 -7.702 10.177 1.00 0.00 H new ATOM 0 HB2 GLN A 100 11.142 -8.901 9.023 1.00 0.00 H new ATOM 0 HB3 GLN A 100 11.512 -7.464 8.090 1.00 0.00 H new ATOM 0 HG2 GLN A 100 12.422 -6.326 9.926 1.00 0.00 H new ATOM 0 HG3 GLN A 100 11.387 -7.138 11.084 1.00 0.00 H new ATOM 0 HE21 GLN A 100 13.309 -7.728 12.321 1.00 0.00 H new ATOM 0 HE22 GLN A 100 14.361 -9.033 11.763 1.00 0.00 H new ATOM 1532 N ALA A 101 9.350 -5.202 8.128 1.00 0.00 N ATOM 1533 CA ALA A 101 9.302 -3.713 8.055 1.00 0.00 C ATOM 1534 C ALA A 101 7.862 -3.233 8.295 1.00 0.00 C ATOM 1535 O ALA A 101 7.310 -3.426 9.361 1.00 0.00 O ATOM 1536 CB ALA A 101 9.783 -3.263 6.671 1.00 0.00 C ATOM 0 H ALA A 101 9.128 -5.685 7.258 1.00 0.00 H new ATOM 0 HA ALA A 101 9.949 -3.283 8.819 1.00 0.00 H new ATOM 0 HB1 ALA A 101 9.751 -2.175 6.610 1.00 0.00 H new ATOM 0 HB2 ALA A 101 10.806 -3.605 6.512 1.00 0.00 H new ATOM 0 HB3 ALA A 101 9.135 -3.689 5.905 1.00 0.00 H new ATOM 1542 N GLY A 102 7.255 -2.614 7.310 1.00 0.00 N ATOM 1543 CA GLY A 102 5.856 -2.120 7.454 1.00 0.00 C ATOM 1544 C GLY A 102 5.018 -2.649 6.289 1.00 0.00 C ATOM 1545 O GLY A 102 3.817 -2.474 6.242 1.00 0.00 O ATOM 0 H GLY A 102 7.679 -2.430 6.401 1.00 0.00 H new ATOM 0 HA2 GLY A 102 5.435 -2.453 8.402 1.00 0.00 H new ATOM 0 HA3 GLY A 102 5.841 -1.030 7.464 1.00 0.00 H new ATOM 1549 N ALA A 103 5.647 -3.339 5.375 1.00 0.00 N ATOM 1550 CA ALA A 103 4.924 -3.953 4.212 1.00 0.00 C ATOM 1551 C ALA A 103 3.860 -4.930 4.732 1.00 0.00 C ATOM 1552 O ALA A 103 3.321 -5.737 4.000 1.00 0.00 O ATOM 1553 CB ALA A 103 5.922 -4.709 3.339 1.00 0.00 C ATOM 0 H ALA A 103 6.653 -3.509 5.382 1.00 0.00 H new ATOM 0 HA ALA A 103 4.444 -3.170 3.625 1.00 0.00 H new ATOM 0 HB1 ALA A 103 5.400 -5.156 2.493 1.00 0.00 H new ATOM 0 HB2 ALA A 103 6.681 -4.018 2.973 1.00 0.00 H new ATOM 0 HB3 ALA A 103 6.399 -5.493 3.927 1.00 0.00 H new ATOM 1559 N SER A 104 3.626 -4.887 6.011 1.00 0.00 N ATOM 1560 CA SER A 104 2.670 -5.823 6.694 1.00 0.00 C ATOM 1561 C SER A 104 1.528 -6.290 5.779 1.00 0.00 C ATOM 1562 O SER A 104 1.073 -7.409 5.903 1.00 0.00 O ATOM 1563 CB SER A 104 2.061 -5.105 7.901 1.00 0.00 C ATOM 1564 OG SER A 104 2.790 -5.452 9.070 1.00 0.00 O ATOM 0 H SER A 104 4.071 -4.219 6.641 1.00 0.00 H new ATOM 0 HA SER A 104 3.236 -6.707 6.988 1.00 0.00 H new ATOM 0 HB2 SER A 104 2.088 -4.026 7.749 1.00 0.00 H new ATOM 0 HB3 SER A 104 1.014 -5.385 8.015 1.00 0.00 H new ATOM 0 HG SER A 104 2.404 -4.993 9.845 1.00 0.00 H new ATOM 1570 N GLY A 105 1.056 -5.472 4.880 1.00 0.00 N ATOM 1571 CA GLY A 105 -0.063 -5.919 3.992 1.00 0.00 C ATOM 1572 C GLY A 105 0.489 -6.335 2.629 1.00 0.00 C ATOM 1573 O GLY A 105 1.252 -5.617 2.013 1.00 0.00 O ATOM 0 H GLY A 105 1.390 -4.522 4.719 1.00 0.00 H new ATOM 0 HA2 GLY A 105 -0.591 -6.755 4.451 1.00 0.00 H new ATOM 0 HA3 GLY A 105 -0.787 -5.113 3.870 1.00 0.00 H new ATOM 1577 N TYR A 106 0.099 -7.487 2.148 1.00 0.00 N ATOM 1578 CA TYR A 106 0.587 -7.945 0.815 1.00 0.00 C ATOM 1579 C TYR A 106 -0.536 -8.675 0.090 1.00 0.00 C ATOM 1580 O TYR A 106 -0.909 -9.776 0.443 1.00 0.00 O ATOM 1581 CB TYR A 106 1.787 -8.885 0.976 1.00 0.00 C ATOM 1582 CG TYR A 106 1.656 -10.071 0.034 1.00 0.00 C ATOM 1583 CD1 TYR A 106 1.609 -9.880 -1.360 1.00 0.00 C ATOM 1584 CD2 TYR A 106 1.591 -11.371 0.555 1.00 0.00 C ATOM 1585 CE1 TYR A 106 1.499 -10.987 -2.213 1.00 0.00 C ATOM 1586 CE2 TYR A 106 1.481 -12.471 -0.300 1.00 0.00 C ATOM 1587 CZ TYR A 106 1.436 -12.280 -1.682 1.00 0.00 C ATOM 1588 OH TYR A 106 1.326 -13.367 -2.524 1.00 0.00 O ATOM 0 H TYR A 106 -0.536 -8.130 2.621 1.00 0.00 H new ATOM 0 HA TYR A 106 0.899 -7.075 0.236 1.00 0.00 H new ATOM 0 HB2 TYR A 106 2.711 -8.346 0.767 1.00 0.00 H new ATOM 0 HB3 TYR A 106 1.848 -9.235 2.006 1.00 0.00 H new ATOM 0 HD1 TYR A 106 1.658 -8.883 -1.771 1.00 0.00 H new ATOM 0 HD2 TYR A 106 1.626 -11.523 1.624 1.00 0.00 H new ATOM 0 HE1 TYR A 106 1.463 -10.841 -3.283 1.00 0.00 H new ATOM 0 HE2 TYR A 106 1.431 -13.469 0.109 1.00 0.00 H new ATOM 0 HH TYR A 106 1.296 -14.190 -1.993 1.00 0.00 H new ATOM 1598 N VAL A 107 -1.063 -8.067 -0.933 1.00 0.00 N ATOM 1599 CA VAL A 107 -2.152 -8.711 -1.716 1.00 0.00 C ATOM 1600 C VAL A 107 -1.583 -9.151 -3.058 1.00 0.00 C ATOM 1601 O VAL A 107 -0.801 -8.450 -3.667 1.00 0.00 O ATOM 1602 CB VAL A 107 -3.279 -7.711 -1.965 1.00 0.00 C ATOM 1603 CG1 VAL A 107 -2.722 -6.504 -2.721 1.00 0.00 C ATOM 1604 CG2 VAL A 107 -4.358 -8.386 -2.812 1.00 0.00 C ATOM 0 H VAL A 107 -0.784 -7.143 -1.263 1.00 0.00 H new ATOM 0 HA VAL A 107 -2.545 -9.564 -1.163 1.00 0.00 H new ATOM 0 HB VAL A 107 -3.704 -7.382 -1.017 1.00 0.00 H new ATOM 0 HG11 VAL A 107 -3.523 -5.787 -2.902 1.00 0.00 H new ATOM 0 HG12 VAL A 107 -1.939 -6.032 -2.127 1.00 0.00 H new ATOM 0 HG13 VAL A 107 -2.307 -6.832 -3.674 1.00 0.00 H new ATOM 0 HG21 VAL A 107 -5.169 -7.682 -2.997 1.00 0.00 H new ATOM 0 HG22 VAL A 107 -3.929 -8.703 -3.763 1.00 0.00 H new ATOM 0 HG23 VAL A 107 -4.746 -9.255 -2.281 1.00 0.00 H new ATOM 1614 N VAL A 108 -1.959 -10.296 -3.534 1.00 0.00 N ATOM 1615 CA VAL A 108 -1.418 -10.735 -4.842 1.00 0.00 C ATOM 1616 C VAL A 108 -2.234 -10.062 -5.952 1.00 0.00 C ATOM 1617 O VAL A 108 -3.430 -10.250 -6.048 1.00 0.00 O ATOM 1618 CB VAL A 108 -1.544 -12.256 -4.976 1.00 0.00 C ATOM 1619 CG1 VAL A 108 -0.419 -12.790 -5.862 1.00 0.00 C ATOM 1620 CG2 VAL A 108 -1.459 -12.904 -3.593 1.00 0.00 C ATOM 0 H VAL A 108 -2.608 -10.940 -3.083 1.00 0.00 H new ATOM 0 HA VAL A 108 -0.366 -10.458 -4.918 1.00 0.00 H new ATOM 0 HB VAL A 108 -2.505 -12.498 -5.429 1.00 0.00 H new ATOM 0 HG11 VAL A 108 -0.512 -13.872 -5.955 1.00 0.00 H new ATOM 0 HG12 VAL A 108 -0.486 -12.334 -6.850 1.00 0.00 H new ATOM 0 HG13 VAL A 108 0.544 -12.546 -5.414 1.00 0.00 H new ATOM 0 HG21 VAL A 108 -1.549 -13.986 -3.692 1.00 0.00 H new ATOM 0 HG22 VAL A 108 -0.500 -12.660 -3.135 1.00 0.00 H new ATOM 0 HG23 VAL A 108 -2.267 -12.529 -2.965 1.00 0.00 H new ATOM 1630 N LYS A 109 -1.611 -9.271 -6.783 1.00 0.00 N ATOM 1631 CA LYS A 109 -2.379 -8.589 -7.865 1.00 0.00 C ATOM 1632 C LYS A 109 -2.432 -9.495 -9.113 1.00 0.00 C ATOM 1633 O LYS A 109 -1.514 -10.261 -9.333 1.00 0.00 O ATOM 1634 CB LYS A 109 -1.682 -7.264 -8.210 1.00 0.00 C ATOM 1635 CG LYS A 109 -0.220 -7.521 -8.586 1.00 0.00 C ATOM 1636 CD LYS A 109 0.079 -6.856 -9.931 1.00 0.00 C ATOM 1637 CE LYS A 109 1.579 -6.935 -10.222 1.00 0.00 C ATOM 1638 NZ LYS A 109 1.851 -6.372 -11.576 1.00 0.00 N ATOM 0 H LYS A 109 -0.612 -9.068 -6.761 1.00 0.00 H new ATOM 0 HA LYS A 109 -3.397 -8.391 -7.529 1.00 0.00 H new ATOM 0 HB2 LYS A 109 -2.198 -6.777 -9.037 1.00 0.00 H new ATOM 0 HB3 LYS A 109 -1.733 -6.585 -7.359 1.00 0.00 H new ATOM 0 HG2 LYS A 109 0.441 -7.124 -7.816 1.00 0.00 H new ATOM 0 HG3 LYS A 109 -0.031 -8.593 -8.647 1.00 0.00 H new ATOM 0 HD2 LYS A 109 -0.482 -7.350 -10.725 1.00 0.00 H new ATOM 0 HD3 LYS A 109 -0.244 -5.815 -9.913 1.00 0.00 H new ATOM 0 HE2 LYS A 109 2.137 -6.381 -9.467 1.00 0.00 H new ATOM 0 HE3 LYS A 109 1.916 -7.970 -10.172 1.00 0.00 H new ATOM 0 HZ1 LYS A 109 2.870 -6.425 -11.776 1.00 0.00 H new ATOM 0 HZ2 LYS A 109 1.329 -6.919 -12.291 1.00 0.00 H new ATOM 0 HZ3 LYS A 109 1.543 -5.379 -11.607 1.00 0.00 H new ATOM 1652 N PRO A 110 -3.472 -9.380 -9.928 1.00 0.00 N ATOM 1653 CA PRO A 110 -4.628 -8.468 -9.720 1.00 0.00 C ATOM 1654 C PRO A 110 -5.539 -9.000 -8.605 1.00 0.00 C ATOM 1655 O PRO A 110 -5.480 -10.159 -8.248 1.00 0.00 O ATOM 1656 CB PRO A 110 -5.397 -8.507 -11.048 1.00 0.00 C ATOM 1657 CG PRO A 110 -4.660 -9.490 -11.992 1.00 0.00 C ATOM 1658 CD PRO A 110 -3.536 -10.153 -11.180 1.00 0.00 C ATOM 0 HA PRO A 110 -4.306 -7.466 -9.437 1.00 0.00 H new ATOM 0 HB2 PRO A 110 -6.425 -8.832 -10.885 1.00 0.00 H new ATOM 0 HB3 PRO A 110 -5.443 -7.513 -11.492 1.00 0.00 H new ATOM 0 HG2 PRO A 110 -5.349 -10.241 -12.377 1.00 0.00 H new ATOM 0 HG3 PRO A 110 -4.251 -8.961 -12.853 1.00 0.00 H new ATOM 0 HD2 PRO A 110 -3.754 -11.203 -10.986 1.00 0.00 H new ATOM 0 HD3 PRO A 110 -2.587 -10.118 -11.716 1.00 0.00 H new ATOM 1666 N PHE A 111 -6.384 -8.160 -8.061 1.00 0.00 N ATOM 1667 CA PHE A 111 -7.303 -8.618 -6.979 1.00 0.00 C ATOM 1668 C PHE A 111 -8.679 -8.013 -7.177 1.00 0.00 C ATOM 1669 O PHE A 111 -8.846 -6.986 -7.804 1.00 0.00 O ATOM 1670 CB PHE A 111 -6.798 -8.159 -5.608 1.00 0.00 C ATOM 1671 CG PHE A 111 -6.370 -6.716 -5.692 1.00 0.00 C ATOM 1672 CD1 PHE A 111 -7.330 -5.692 -5.728 1.00 0.00 C ATOM 1673 CD2 PHE A 111 -5.014 -6.402 -5.770 1.00 0.00 C ATOM 1674 CE1 PHE A 111 -6.918 -4.359 -5.841 1.00 0.00 C ATOM 1675 CE2 PHE A 111 -4.607 -5.071 -5.889 1.00 0.00 C ATOM 1676 CZ PHE A 111 -5.557 -4.050 -5.925 1.00 0.00 C ATOM 0 H PHE A 111 -6.476 -7.178 -8.321 1.00 0.00 H new ATOM 0 HA PHE A 111 -7.344 -9.706 -7.021 1.00 0.00 H new ATOM 0 HB2 PHE A 111 -7.583 -8.274 -4.861 1.00 0.00 H new ATOM 0 HB3 PHE A 111 -5.961 -8.780 -5.289 1.00 0.00 H new ATOM 0 HD1 PHE A 111 -8.381 -5.932 -5.669 1.00 0.00 H new ATOM 0 HD2 PHE A 111 -4.276 -7.190 -5.738 1.00 0.00 H new ATOM 0 HE1 PHE A 111 -7.653 -3.568 -5.863 1.00 0.00 H new ATOM 0 HE2 PHE A 111 -3.556 -4.832 -5.953 1.00 0.00 H new ATOM 0 HZ PHE A 111 -5.241 -3.021 -6.018 1.00 0.00 H new ATOM 1686 N THR A 112 -9.653 -8.629 -6.590 1.00 0.00 N ATOM 1687 CA THR A 112 -11.034 -8.098 -6.661 1.00 0.00 C ATOM 1688 C THR A 112 -11.291 -7.381 -5.339 1.00 0.00 C ATOM 1689 O THR A 112 -10.705 -7.723 -4.329 1.00 0.00 O ATOM 1690 CB THR A 112 -12.027 -9.251 -6.831 1.00 0.00 C ATOM 1691 OG1 THR A 112 -11.359 -10.364 -7.408 1.00 0.00 O ATOM 1692 CG2 THR A 112 -13.174 -8.811 -7.741 1.00 0.00 C ATOM 0 H THR A 112 -9.552 -9.492 -6.055 1.00 0.00 H new ATOM 0 HA THR A 112 -11.156 -7.422 -7.507 1.00 0.00 H new ATOM 0 HB THR A 112 -12.430 -9.532 -5.858 1.00 0.00 H new ATOM 0 HG1 THR A 112 -11.991 -11.105 -7.517 1.00 0.00 H new ATOM 0 HG21 THR A 112 -13.880 -9.633 -7.861 1.00 0.00 H new ATOM 0 HG22 THR A 112 -13.684 -7.957 -7.296 1.00 0.00 H new ATOM 0 HG23 THR A 112 -12.777 -8.529 -8.716 1.00 0.00 H new ATOM 1700 N ALA A 113 -12.132 -6.389 -5.320 1.00 0.00 N ATOM 1701 CA ALA A 113 -12.377 -5.676 -4.037 1.00 0.00 C ATOM 1702 C ALA A 113 -12.641 -6.706 -2.944 1.00 0.00 C ATOM 1703 O ALA A 113 -12.536 -6.417 -1.770 1.00 0.00 O ATOM 1704 CB ALA A 113 -13.580 -4.741 -4.179 1.00 0.00 C ATOM 0 H ALA A 113 -12.655 -6.043 -6.125 1.00 0.00 H new ATOM 0 HA ALA A 113 -11.504 -5.079 -3.775 1.00 0.00 H new ATOM 0 HB1 ALA A 113 -13.752 -4.223 -3.235 1.00 0.00 H new ATOM 0 HB2 ALA A 113 -13.382 -4.010 -4.963 1.00 0.00 H new ATOM 0 HB3 ALA A 113 -14.464 -5.323 -4.440 1.00 0.00 H new ATOM 1710 N ALA A 114 -12.955 -7.913 -3.320 1.00 0.00 N ATOM 1711 CA ALA A 114 -13.190 -8.961 -2.296 1.00 0.00 C ATOM 1712 C ALA A 114 -11.839 -9.366 -1.716 1.00 0.00 C ATOM 1713 O ALA A 114 -11.680 -9.497 -0.519 1.00 0.00 O ATOM 1714 CB ALA A 114 -13.868 -10.175 -2.935 1.00 0.00 C ATOM 0 H ALA A 114 -13.058 -8.216 -4.288 1.00 0.00 H new ATOM 0 HA ALA A 114 -13.841 -8.579 -1.509 1.00 0.00 H new ATOM 0 HB1 ALA A 114 -14.037 -10.939 -2.176 1.00 0.00 H new ATOM 0 HB2 ALA A 114 -14.823 -9.874 -3.365 1.00 0.00 H new ATOM 0 HB3 ALA A 114 -13.228 -10.578 -3.720 1.00 0.00 H new ATOM 1720 N THR A 115 -10.850 -9.540 -2.554 1.00 0.00 N ATOM 1721 CA THR A 115 -9.510 -9.904 -2.031 1.00 0.00 C ATOM 1722 C THR A 115 -8.975 -8.714 -1.242 1.00 0.00 C ATOM 1723 O THR A 115 -8.789 -8.806 -0.044 1.00 0.00 O ATOM 1724 CB THR A 115 -8.563 -10.244 -3.180 1.00 0.00 C ATOM 1725 OG1 THR A 115 -9.182 -9.910 -4.409 1.00 0.00 O ATOM 1726 CG2 THR A 115 -8.246 -11.739 -3.156 1.00 0.00 C ATOM 0 H THR A 115 -10.916 -9.446 -3.568 1.00 0.00 H new ATOM 0 HA THR A 115 -9.584 -10.782 -1.389 1.00 0.00 H new ATOM 0 HB THR A 115 -7.638 -9.678 -3.071 1.00 0.00 H new ATOM 0 HG1 THR A 115 -9.390 -8.953 -4.421 1.00 0.00 H new ATOM 0 HG21 THR A 115 -7.570 -11.981 -3.976 1.00 0.00 H new ATOM 0 HG22 THR A 115 -7.773 -11.995 -2.208 1.00 0.00 H new ATOM 0 HG23 THR A 115 -9.169 -12.308 -3.266 1.00 0.00 H new ATOM 1734 N LEU A 116 -8.740 -7.584 -1.880 1.00 0.00 N ATOM 1735 CA LEU A 116 -8.243 -6.416 -1.101 1.00 0.00 C ATOM 1736 C LEU A 116 -9.088 -6.252 0.167 1.00 0.00 C ATOM 1737 O LEU A 116 -8.585 -5.887 1.212 1.00 0.00 O ATOM 1738 CB LEU A 116 -8.346 -5.148 -1.948 1.00 0.00 C ATOM 1739 CG LEU A 116 -7.043 -4.343 -1.832 1.00 0.00 C ATOM 1740 CD1 LEU A 116 -5.895 -5.094 -2.513 1.00 0.00 C ATOM 1741 CD2 LEU A 116 -7.210 -2.977 -2.504 1.00 0.00 C ATOM 0 H LEU A 116 -8.869 -7.430 -2.880 1.00 0.00 H new ATOM 0 HA LEU A 116 -7.201 -6.583 -0.828 1.00 0.00 H new ATOM 0 HB2 LEU A 116 -8.533 -5.409 -2.990 1.00 0.00 H new ATOM 0 HB3 LEU A 116 -9.190 -4.544 -1.615 1.00 0.00 H new ATOM 0 HG LEU A 116 -6.814 -4.208 -0.775 1.00 0.00 H new ATOM 0 HD11 LEU A 116 -4.977 -4.513 -2.424 1.00 0.00 H new ATOM 0 HD12 LEU A 116 -5.759 -6.063 -2.033 1.00 0.00 H new ATOM 0 HD13 LEU A 116 -6.131 -5.241 -3.567 1.00 0.00 H new ATOM 0 HD21 LEU A 116 -6.281 -2.413 -2.417 1.00 0.00 H new ATOM 0 HD22 LEU A 116 -7.452 -3.117 -3.557 1.00 0.00 H new ATOM 0 HD23 LEU A 116 -8.015 -2.428 -2.016 1.00 0.00 H new ATOM 1753 N GLU A 117 -10.368 -6.520 0.092 1.00 0.00 N ATOM 1754 CA GLU A 117 -11.223 -6.379 1.298 1.00 0.00 C ATOM 1755 C GLU A 117 -10.773 -7.372 2.370 1.00 0.00 C ATOM 1756 O GLU A 117 -10.327 -6.994 3.435 1.00 0.00 O ATOM 1757 CB GLU A 117 -12.681 -6.661 0.936 1.00 0.00 C ATOM 1758 CG GLU A 117 -13.478 -6.931 2.213 1.00 0.00 C ATOM 1759 CD GLU A 117 -14.956 -6.623 1.967 1.00 0.00 C ATOM 1760 OE1 GLU A 117 -15.376 -6.704 0.825 1.00 0.00 O ATOM 1761 OE2 GLU A 117 -15.643 -6.310 2.926 1.00 0.00 O ATOM 0 H GLU A 117 -10.851 -6.829 -0.751 1.00 0.00 H new ATOM 0 HA GLU A 117 -11.131 -5.362 1.679 1.00 0.00 H new ATOM 0 HB2 GLU A 117 -13.106 -5.811 0.402 1.00 0.00 H new ATOM 0 HB3 GLU A 117 -12.742 -7.520 0.268 1.00 0.00 H new ATOM 0 HG2 GLU A 117 -13.358 -7.971 2.516 1.00 0.00 H new ATOM 0 HG3 GLU A 117 -13.098 -6.315 3.028 1.00 0.00 H new ATOM 1768 N GLU A 118 -10.897 -8.641 2.095 1.00 0.00 N ATOM 1769 CA GLU A 118 -10.488 -9.675 3.088 1.00 0.00 C ATOM 1770 C GLU A 118 -9.135 -9.300 3.697 1.00 0.00 C ATOM 1771 O GLU A 118 -8.980 -9.242 4.900 1.00 0.00 O ATOM 1772 CB GLU A 118 -10.371 -11.032 2.391 1.00 0.00 C ATOM 1773 CG GLU A 118 -11.286 -12.045 3.083 1.00 0.00 C ATOM 1774 CD GLU A 118 -12.747 -11.650 2.864 1.00 0.00 C ATOM 1775 OE1 GLU A 118 -13.000 -10.863 1.965 1.00 0.00 O ATOM 1776 OE2 GLU A 118 -13.590 -12.138 3.598 1.00 0.00 O ATOM 0 H GLU A 118 -11.267 -9.009 1.219 1.00 0.00 H new ATOM 0 HA GLU A 118 -11.237 -9.731 3.878 1.00 0.00 H new ATOM 0 HB2 GLU A 118 -10.645 -10.937 1.340 1.00 0.00 H new ATOM 0 HB3 GLU A 118 -9.338 -11.380 2.421 1.00 0.00 H new ATOM 0 HG2 GLU A 118 -11.105 -13.044 2.686 1.00 0.00 H new ATOM 0 HG3 GLU A 118 -11.064 -12.081 4.150 1.00 0.00 H new ATOM 1783 N LYS A 119 -8.154 -9.049 2.874 1.00 0.00 N ATOM 1784 CA LYS A 119 -6.812 -8.680 3.404 1.00 0.00 C ATOM 1785 C LYS A 119 -6.963 -7.621 4.498 1.00 0.00 C ATOM 1786 O LYS A 119 -6.366 -7.712 5.552 1.00 0.00 O ATOM 1787 CB LYS A 119 -5.956 -8.115 2.269 1.00 0.00 C ATOM 1788 CG LYS A 119 -5.740 -9.193 1.204 1.00 0.00 C ATOM 1789 CD LYS A 119 -4.403 -9.895 1.450 1.00 0.00 C ATOM 1790 CE LYS A 119 -4.341 -11.180 0.620 1.00 0.00 C ATOM 1791 NZ LYS A 119 -5.371 -12.139 1.110 1.00 0.00 N ATOM 0 H LYS A 119 -8.224 -9.084 1.857 1.00 0.00 H new ATOM 0 HA LYS A 119 -6.333 -9.566 3.821 1.00 0.00 H new ATOM 0 HB2 LYS A 119 -6.446 -7.247 1.828 1.00 0.00 H new ATOM 0 HB3 LYS A 119 -4.996 -7.776 2.658 1.00 0.00 H new ATOM 0 HG2 LYS A 119 -6.554 -9.917 1.235 1.00 0.00 H new ATOM 0 HG3 LYS A 119 -5.750 -8.745 0.211 1.00 0.00 H new ATOM 0 HD2 LYS A 119 -3.579 -9.235 1.180 1.00 0.00 H new ATOM 0 HD3 LYS A 119 -4.292 -10.128 2.509 1.00 0.00 H new ATOM 0 HE2 LYS A 119 -4.511 -10.954 -0.433 1.00 0.00 H new ATOM 0 HE3 LYS A 119 -3.349 -11.626 0.694 1.00 0.00 H new ATOM 0 HZ1 LYS A 119 -5.057 -13.112 0.922 1.00 0.00 H new ATOM 0 HZ2 LYS A 119 -5.506 -12.011 2.133 1.00 0.00 H new ATOM 0 HZ3 LYS A 119 -6.270 -11.964 0.618 1.00 0.00 H new ATOM 1805 N LEU A 120 -7.751 -6.612 4.252 1.00 0.00 N ATOM 1806 CA LEU A 120 -7.933 -5.541 5.271 1.00 0.00 C ATOM 1807 C LEU A 120 -8.454 -6.139 6.579 1.00 0.00 C ATOM 1808 O LEU A 120 -7.883 -5.940 7.627 1.00 0.00 O ATOM 1809 CB LEU A 120 -8.939 -4.506 4.761 1.00 0.00 C ATOM 1810 CG LEU A 120 -8.331 -3.105 4.880 1.00 0.00 C ATOM 1811 CD1 LEU A 120 -7.167 -2.946 3.895 1.00 0.00 C ATOM 1812 CD2 LEU A 120 -9.400 -2.054 4.573 1.00 0.00 C ATOM 0 H LEU A 120 -8.278 -6.483 3.388 1.00 0.00 H new ATOM 0 HA LEU A 120 -6.970 -5.064 5.449 1.00 0.00 H new ATOM 0 HB2 LEU A 120 -9.198 -4.715 3.723 1.00 0.00 H new ATOM 0 HB3 LEU A 120 -9.862 -4.564 5.338 1.00 0.00 H new ATOM 0 HG LEU A 120 -7.960 -2.968 5.896 1.00 0.00 H new ATOM 0 HD11 LEU A 120 -6.744 -1.946 3.990 1.00 0.00 H new ATOM 0 HD12 LEU A 120 -6.399 -3.687 4.116 1.00 0.00 H new ATOM 0 HD13 LEU A 120 -7.529 -3.092 2.877 1.00 0.00 H new ATOM 0 HD21 LEU A 120 -8.966 -1.058 4.658 1.00 0.00 H new ATOM 0 HD22 LEU A 120 -9.775 -2.201 3.560 1.00 0.00 H new ATOM 0 HD23 LEU A 120 -10.222 -2.153 5.282 1.00 0.00 H new ATOM 1824 N ASN A 121 -9.545 -6.850 6.533 1.00 0.00 N ATOM 1825 CA ASN A 121 -10.108 -7.435 7.785 1.00 0.00 C ATOM 1826 C ASN A 121 -9.087 -8.353 8.465 1.00 0.00 C ATOM 1827 O ASN A 121 -9.182 -8.627 9.645 1.00 0.00 O ATOM 1828 CB ASN A 121 -11.364 -8.239 7.447 1.00 0.00 C ATOM 1829 CG ASN A 121 -12.589 -7.563 8.067 1.00 0.00 C ATOM 1830 OD1 ASN A 121 -13.514 -7.198 7.369 1.00 0.00 O ATOM 1831 ND2 ASN A 121 -12.634 -7.381 9.359 1.00 0.00 N ATOM 0 H ASN A 121 -10.072 -7.052 5.684 1.00 0.00 H new ATOM 0 HA ASN A 121 -10.354 -6.622 8.468 1.00 0.00 H new ATOM 0 HB2 ASN A 121 -11.483 -8.309 6.366 1.00 0.00 H new ATOM 0 HB3 ASN A 121 -11.268 -9.257 7.824 1.00 0.00 H new ATOM 0 HD21 ASN A 121 -13.446 -6.932 9.783 1.00 0.00 H new ATOM 0 HD22 ASN A 121 -11.857 -7.688 9.945 1.00 0.00 H new ATOM 1838 N LYS A 122 -8.117 -8.838 7.742 1.00 0.00 N ATOM 1839 CA LYS A 122 -7.113 -9.742 8.375 1.00 0.00 C ATOM 1840 C LYS A 122 -6.120 -8.914 9.194 1.00 0.00 C ATOM 1841 O LYS A 122 -5.695 -9.312 10.260 1.00 0.00 O ATOM 1842 CB LYS A 122 -6.360 -10.513 7.285 1.00 0.00 C ATOM 1843 CG LYS A 122 -5.433 -11.559 7.922 1.00 0.00 C ATOM 1844 CD LYS A 122 -3.990 -11.049 7.901 1.00 0.00 C ATOM 1845 CE LYS A 122 -3.414 -11.184 6.489 1.00 0.00 C ATOM 1846 NZ LYS A 122 -2.504 -12.363 6.435 1.00 0.00 N ATOM 0 H LYS A 122 -7.975 -8.651 6.749 1.00 0.00 H new ATOM 0 HA LYS A 122 -7.624 -10.446 9.032 1.00 0.00 H new ATOM 0 HB2 LYS A 122 -7.070 -11.003 6.619 1.00 0.00 H new ATOM 0 HB3 LYS A 122 -5.777 -9.822 6.677 1.00 0.00 H new ATOM 0 HG2 LYS A 122 -5.744 -11.758 8.948 1.00 0.00 H new ATOM 0 HG3 LYS A 122 -5.504 -12.501 7.379 1.00 0.00 H new ATOM 0 HD2 LYS A 122 -3.958 -10.007 8.219 1.00 0.00 H new ATOM 0 HD3 LYS A 122 -3.384 -11.616 8.607 1.00 0.00 H new ATOM 0 HE2 LYS A 122 -4.221 -11.300 5.765 1.00 0.00 H new ATOM 0 HE3 LYS A 122 -2.871 -10.279 6.218 1.00 0.00 H new ATOM 0 HZ1 LYS A 122 -2.112 -12.455 5.476 1.00 0.00 H new ATOM 0 HZ2 LYS A 122 -1.728 -12.234 7.115 1.00 0.00 H new ATOM 0 HZ3 LYS A 122 -3.036 -13.223 6.676 1.00 0.00 H new ATOM 1860 N ILE A 123 -5.742 -7.770 8.698 1.00 0.00 N ATOM 1861 CA ILE A 123 -4.767 -6.915 9.436 1.00 0.00 C ATOM 1862 C ILE A 123 -5.503 -5.957 10.374 1.00 0.00 C ATOM 1863 O ILE A 123 -5.032 -5.638 11.448 1.00 0.00 O ATOM 1864 CB ILE A 123 -3.964 -6.091 8.431 1.00 0.00 C ATOM 1865 CG1 ILE A 123 -2.861 -6.959 7.819 1.00 0.00 C ATOM 1866 CG2 ILE A 123 -3.338 -4.890 9.144 1.00 0.00 C ATOM 1867 CD1 ILE A 123 -2.245 -6.236 6.620 1.00 0.00 C ATOM 0 H ILE A 123 -6.067 -7.387 7.810 1.00 0.00 H new ATOM 0 HA ILE A 123 -4.107 -7.557 10.020 1.00 0.00 H new ATOM 0 HB ILE A 123 -4.625 -5.739 7.639 1.00 0.00 H new ATOM 0 HG12 ILE A 123 -2.093 -7.168 8.564 1.00 0.00 H new ATOM 0 HG13 ILE A 123 -3.271 -7.919 7.506 1.00 0.00 H new ATOM 0 HG21 ILE A 123 -2.764 -4.301 8.429 1.00 0.00 H new ATOM 0 HG22 ILE A 123 -4.125 -4.272 9.575 1.00 0.00 H new ATOM 0 HG23 ILE A 123 -2.678 -5.241 9.937 1.00 0.00 H new ATOM 0 HD11 ILE A 123 -1.460 -6.855 6.186 1.00 0.00 H new ATOM 0 HD12 ILE A 123 -3.016 -6.050 5.872 1.00 0.00 H new ATOM 0 HD13 ILE A 123 -1.819 -5.287 6.947 1.00 0.00 H new ATOM 1879 N PHE A 124 -6.636 -5.467 9.959 1.00 0.00 N ATOM 1880 CA PHE A 124 -7.386 -4.498 10.802 1.00 0.00 C ATOM 1881 C PHE A 124 -8.031 -5.204 11.991 1.00 0.00 C ATOM 1882 O PHE A 124 -8.021 -4.696 13.092 1.00 0.00 O ATOM 1883 CB PHE A 124 -8.450 -3.810 9.953 1.00 0.00 C ATOM 1884 CG PHE A 124 -7.818 -2.634 9.247 1.00 0.00 C ATOM 1885 CD1 PHE A 124 -6.703 -2.834 8.421 1.00 0.00 C ATOM 1886 CD2 PHE A 124 -8.334 -1.344 9.423 1.00 0.00 C ATOM 1887 CE1 PHE A 124 -6.108 -1.750 7.773 1.00 0.00 C ATOM 1888 CE2 PHE A 124 -7.737 -0.259 8.771 1.00 0.00 C ATOM 1889 CZ PHE A 124 -6.625 -0.463 7.947 1.00 0.00 C ATOM 0 H PHE A 124 -7.077 -5.697 9.068 1.00 0.00 H new ATOM 0 HA PHE A 124 -6.693 -3.752 11.189 1.00 0.00 H new ATOM 0 HB2 PHE A 124 -8.864 -4.509 9.227 1.00 0.00 H new ATOM 0 HB3 PHE A 124 -9.276 -3.475 10.580 1.00 0.00 H new ATOM 0 HD1 PHE A 124 -6.304 -3.828 8.286 1.00 0.00 H new ATOM 0 HD2 PHE A 124 -9.191 -1.187 10.061 1.00 0.00 H new ATOM 0 HE1 PHE A 124 -5.249 -1.906 7.138 1.00 0.00 H new ATOM 0 HE2 PHE A 124 -8.135 0.736 8.904 1.00 0.00 H new ATOM 0 HZ PHE A 124 -6.165 0.375 7.445 1.00 0.00 H new ATOM 1899 N GLU A 125 -8.585 -6.368 11.797 1.00 0.00 N ATOM 1900 CA GLU A 125 -9.206 -7.070 12.952 1.00 0.00 C ATOM 1901 C GLU A 125 -8.186 -7.108 14.086 1.00 0.00 C ATOM 1902 O GLU A 125 -8.524 -7.288 15.239 1.00 0.00 O ATOM 1903 CB GLU A 125 -9.597 -8.493 12.550 1.00 0.00 C ATOM 1904 CG GLU A 125 -10.262 -9.195 13.736 1.00 0.00 C ATOM 1905 CD GLU A 125 -10.870 -10.519 13.270 1.00 0.00 C ATOM 1906 OE1 GLU A 125 -11.034 -10.683 12.072 1.00 0.00 O ATOM 1907 OE2 GLU A 125 -11.161 -11.346 14.118 1.00 0.00 O ATOM 0 H GLU A 125 -8.634 -6.857 10.903 1.00 0.00 H new ATOM 0 HA GLU A 125 -10.106 -6.546 13.273 1.00 0.00 H new ATOM 0 HB2 GLU A 125 -10.279 -8.468 11.700 1.00 0.00 H new ATOM 0 HB3 GLU A 125 -8.714 -9.048 12.234 1.00 0.00 H new ATOM 0 HG2 GLU A 125 -9.529 -9.376 14.523 1.00 0.00 H new ATOM 0 HG3 GLU A 125 -11.036 -8.557 14.162 1.00 0.00 H new ATOM 1914 N LYS A 126 -6.939 -6.912 13.758 1.00 0.00 N ATOM 1915 CA LYS A 126 -5.879 -6.903 14.800 1.00 0.00 C ATOM 1916 C LYS A 126 -5.567 -5.449 15.156 1.00 0.00 C ATOM 1917 O LYS A 126 -5.092 -5.149 16.233 1.00 0.00 O ATOM 1918 CB LYS A 126 -4.620 -7.584 14.260 1.00 0.00 C ATOM 1919 CG LYS A 126 -3.722 -7.996 15.428 1.00 0.00 C ATOM 1920 CD LYS A 126 -3.965 -9.469 15.766 1.00 0.00 C ATOM 1921 CE LYS A 126 -3.111 -9.864 16.973 1.00 0.00 C ATOM 1922 NZ LYS A 126 -3.996 -10.138 18.140 1.00 0.00 N ATOM 0 H LYS A 126 -6.608 -6.757 12.806 1.00 0.00 H new ATOM 0 HA LYS A 126 -6.217 -7.442 15.685 1.00 0.00 H new ATOM 0 HB2 LYS A 126 -4.892 -8.459 13.670 1.00 0.00 H new ATOM 0 HB3 LYS A 126 -4.083 -6.906 13.596 1.00 0.00 H new ATOM 0 HG2 LYS A 126 -2.675 -7.840 15.168 1.00 0.00 H new ATOM 0 HG3 LYS A 126 -3.931 -7.373 16.298 1.00 0.00 H new ATOM 0 HD2 LYS A 126 -5.020 -9.634 15.984 1.00 0.00 H new ATOM 0 HD3 LYS A 126 -3.715 -10.096 14.910 1.00 0.00 H new ATOM 0 HE2 LYS A 126 -2.517 -10.747 16.738 1.00 0.00 H new ATOM 0 HE3 LYS A 126 -2.411 -9.064 17.214 1.00 0.00 H new ATOM 0 HZ1 LYS A 126 -3.416 -10.406 18.960 1.00 0.00 H new ATOM 0 HZ2 LYS A 126 -4.544 -9.284 18.368 1.00 0.00 H new ATOM 0 HZ3 LYS A 126 -4.647 -10.915 17.907 1.00 0.00 H new ATOM 1936 N LEU A 127 -5.846 -4.540 14.255 1.00 0.00 N ATOM 1937 CA LEU A 127 -5.578 -3.103 14.540 1.00 0.00 C ATOM 1938 C LEU A 127 -6.742 -2.537 15.357 1.00 0.00 C ATOM 1939 O LEU A 127 -6.606 -1.540 16.038 1.00 0.00 O ATOM 1940 CB LEU A 127 -5.456 -2.317 13.221 1.00 0.00 C ATOM 1941 CG LEU A 127 -4.766 -0.966 13.460 1.00 0.00 C ATOM 1942 CD1 LEU A 127 -3.512 -0.871 12.590 1.00 0.00 C ATOM 1943 CD2 LEU A 127 -5.726 0.166 13.086 1.00 0.00 C ATOM 0 H LEU A 127 -6.247 -4.733 13.337 1.00 0.00 H new ATOM 0 HA LEU A 127 -4.645 -3.011 15.097 1.00 0.00 H new ATOM 0 HB2 LEU A 127 -4.887 -2.899 12.496 1.00 0.00 H new ATOM 0 HB3 LEU A 127 -6.446 -2.156 12.794 1.00 0.00 H new ATOM 0 HG LEU A 127 -4.488 -0.881 14.511 1.00 0.00 H new ATOM 0 HD11 LEU A 127 -3.023 0.088 12.760 1.00 0.00 H new ATOM 0 HD12 LEU A 127 -2.827 -1.679 12.849 1.00 0.00 H new ATOM 0 HD13 LEU A 127 -3.791 -0.955 11.540 1.00 0.00 H new ATOM 0 HD21 LEU A 127 -5.239 1.127 13.255 1.00 0.00 H new ATOM 0 HD22 LEU A 127 -6.001 0.078 12.035 1.00 0.00 H new ATOM 0 HD23 LEU A 127 -6.623 0.101 13.702 1.00 0.00 H new ATOM 1955 N GLY A 128 -7.889 -3.164 15.292 1.00 0.00 N ATOM 1956 CA GLY A 128 -9.056 -2.655 16.064 1.00 0.00 C ATOM 1957 C GLY A 128 -9.309 -1.189 15.702 1.00 0.00 C ATOM 1958 O GLY A 128 -8.909 -0.288 16.412 1.00 0.00 O ATOM 0 H GLY A 128 -8.065 -4.003 14.739 1.00 0.00 H new ATOM 0 HA2 GLY A 128 -9.940 -3.253 15.843 1.00 0.00 H new ATOM 0 HA3 GLY A 128 -8.867 -2.749 17.133 1.00 0.00 H new ATOM 1962 N MET A 129 -9.969 -0.944 14.603 1.00 0.00 N ATOM 1963 CA MET A 129 -10.245 0.465 14.200 1.00 0.00 C ATOM 1964 C MET A 129 -11.578 0.913 14.802 1.00 0.00 C ATOM 1965 O MET A 129 -12.577 0.270 14.525 1.00 0.00 O ATOM 1966 CB MET A 129 -10.327 0.553 12.674 1.00 0.00 C ATOM 1967 CG MET A 129 -9.239 1.495 12.152 1.00 0.00 C ATOM 1968 SD MET A 129 -9.571 3.179 12.726 1.00 0.00 S ATOM 1969 CE MET A 129 -8.568 4.038 11.490 1.00 0.00 C ATOM 1970 OXT MET A 129 -11.577 1.892 15.530 1.00 0.00 O ATOM 0 H MET A 129 -10.328 -1.657 13.968 1.00 0.00 H new ATOM 0 HA MET A 129 -9.443 1.109 14.561 1.00 0.00 H new ATOM 0 HB2 MET A 129 -10.205 -0.438 12.236 1.00 0.00 H new ATOM 0 HB3 MET A 129 -11.310 0.915 12.373 1.00 0.00 H new ATOM 0 HG2 MET A 129 -8.260 1.167 12.502 1.00 0.00 H new ATOM 0 HG3 MET A 129 -9.213 1.469 11.063 1.00 0.00 H new ATOM 0 HE1 MET A 129 -8.627 5.113 11.657 1.00 0.00 H new ATOM 0 HE2 MET A 129 -7.531 3.714 11.574 1.00 0.00 H new ATOM 0 HE3 MET A 129 -8.941 3.805 10.493 1.00 0.00 H new