USER MOD reduce.3.24.130724 H: found=0, std=0, add=1061, rem=0, adj=31 USER MOD reduce.3.24.130724 removed 1063 hydrogens (0 hets) USER MOD ----------------------------------------------------------------- USER MOD scores for adjustable sidechains, with "set" totals for H,N and Q USER MOD "o" means original, "f" means flipped, "180deg" is methyl default USER MOD "!" flags a clash with an overlap of 0.40A or greater USER MOD flip categories: "K"=keep, "C"=clashes, "X"=uncertain, "F"=flip USER MOD Set 1.1: A 101 SER OG : rot -51:sc= 1.29 USER MOD Set 1.2: A 135 MET CE :methyl -162:sc= -0.764 (180deg=-1.51) USER MOD Set 2.1: A 36 MET CE :methyl -148:sc= -1.37 (180deg=-1.1) USER MOD Set 2.2: A 75 GLN : amide:sc= -8.89! C(o=-10!,f=-9.9!) USER MOD Set 3.1: A 41 GLN :FLIP amide:sc= -4.48! C(o=-14!,f=-11!) USER MOD Set 3.2: A 72 MET CE :methyl -130:sc= -6.76! (180deg=-9.32!) USER MOD Set 4.1: A 24 THR OG1 : rot 172:sc= 0.404 USER MOD Set 4.2: A 62 GLN :FLIP amide:sc= -3.35! C(o=-7!,f=-2.9!) USER MOD Single : A 5 THR OG1 : rot 180:sc= 0 USER MOD Single : A 8 GLN :FLIP amide:sc= -0.387 F(o=-1.7!,f=-0.39) USER MOD Single : A 13 LYS NZ :NH3+ -108:sc= -0.563 (180deg=-2.75!) USER MOD Single : A 18 GLN : amide:sc= -3.83! C(o=-3.8!,f=-4!) USER MOD Single : A 21 LYS NZ :NH3+ 165:sc= -0.0714 (180deg=-0.328) USER MOD Single : A 26 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 29 THR OG1 : rot 180:sc= -0.253 USER MOD Single : A 34 THR OG1 : rot 180:sc= 0 USER MOD Single : A 38 THR OG1 : rot -16:sc= 0.355! USER MOD Single : A 42 ASN : amide:sc= -0.0385 K(o=-0.038,f=-0.63) USER MOD Single : A 44 THR OG1 : rot 180:sc= -0.0299 USER MOD Single : A 49 GLN : amide:sc= -0.0461 K(o=-0.046,f=-0.72) USER MOD Single : A 57 ASN :FLIP amide:sc= -0.477 F(o=-3.1!,f=-0.48) USER MOD Single : A 58 ASN :FLIP amide:sc= -0.0766 F(o=-1.7!,f=-0.077) USER MOD Single : A 59 ASN : amide:sc= -8.18! C(o=-8.2!,f=-12!) USER MOD Single : A 60 ASN :FLIP amide:sc= -1.82 F(o=-4.6!,f=-1.8) USER MOD Single : A 64 ASN : amide:sc= -1.61 K(o=-1.6,f=-5.1!) USER MOD Single : A 66 THR OG1 : rot 180:sc=0.000796 USER MOD Single : A 69 CYS SG : rot 67:sc= 0.523 USER MOD Single : A 74 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 76 MET CE :methyl -142:sc= -3.13 (180deg=-4.77!) USER MOD Single : A 85 MET CE :methyl -104:sc= -1.84 (180deg=-5.12!) USER MOD Single : A 90 LYS NZ :NH3+ -176:sc= 0 (180deg=-0.0276) USER MOD Single : A 109 MET CE :methyl -173:sc= -7.74! (180deg=-8.85!) USER MOD Single : A 111 ASN : amide:sc= -0.0851 K(o=-0.085,f=-1.2!) USER MOD Single : A 115 LYS NZ :NH3+ 169:sc= -0.0203 (180deg=-0.214) USER MOD Single : A 117 THR OG1 : rot 180:sc= 0 USER MOD Single : A 124 MET CE :methyl 155:sc= -0.145 (180deg=-1.13) USER MOD Single : A 137 ASN : amide:sc= -0.331 K(o=-0.33,f=-4.1!) USER MOD Single : A 138 TYR OH : rot 180:sc= 0 USER MOD Single : A 144 MET CE :methyl 156:sc= -3.53! (180deg=-4.26!) USER MOD Single : A 146 SER OG : rot 71:sc= 1.27 USER MOD Single : A 147 GLN : amide:sc= 0.725 K(o=0.73,f=-0.7) USER MOD Single : A 148 LYS NZ :NH3+ -167:sc= -0.0489 (180deg=-0.216) USER MOD ----------------------------------------------------------------- ATOM 12 N GLU A 3 11.315 -14.012 2.952 1.00 0.87 N ATOM 13 CA GLU A 3 11.749 -13.605 4.285 1.00 0.57 C ATOM 14 C GLU A 3 13.208 -13.160 4.275 1.00 0.48 C ATOM 15 O GLU A 3 13.846 -13.113 3.225 1.00 0.55 O ATOM 16 CB GLU A 3 11.569 -14.755 5.278 1.00 0.70 C ATOM 17 CG GLU A 3 10.115 -15.092 5.571 1.00 1.23 C ATOM 18 CD GLU A 3 9.364 -15.572 4.345 1.00 1.78 C ATOM 19 OE1 GLU A 3 9.395 -16.791 4.069 1.00 2.20 O ATOM 20 OE2 GLU A 3 8.743 -14.732 3.661 1.00 2.49 O ATOM 0 HA GLU A 3 11.131 -12.762 4.594 1.00 0.57 H new ATOM 0 HB2 GLU A 3 12.066 -15.642 4.886 1.00 0.70 H new ATOM 0 HB3 GLU A 3 12.068 -14.497 6.212 1.00 0.70 H new ATOM 0 HG2 GLU A 3 10.074 -15.862 6.341 1.00 1.23 H new ATOM 0 HG3 GLU A 3 9.617 -14.210 5.974 1.00 1.23 H new ATOM 27 N LEU A 4 13.727 -12.830 5.453 1.00 0.44 N ATOM 28 CA LEU A 4 15.110 -12.395 5.580 1.00 0.39 C ATOM 29 C LEU A 4 16.048 -13.592 5.706 1.00 0.37 C ATOM 30 O LEU A 4 16.681 -13.794 6.743 1.00 0.45 O ATOM 31 CB LEU A 4 15.272 -11.474 6.794 1.00 0.47 C ATOM 32 CG LEU A 4 14.460 -10.174 6.754 1.00 0.43 C ATOM 33 CD1 LEU A 4 14.836 -9.285 7.924 1.00 1.12 C ATOM 34 CD2 LEU A 4 14.672 -9.443 5.436 1.00 1.25 C ATOM 0 H LEU A 4 13.210 -12.856 6.332 1.00 0.44 H new ATOM 0 HA LEU A 4 15.373 -11.843 4.678 1.00 0.39 H new ATOM 0 HB2 LEU A 4 14.991 -12.029 7.689 1.00 0.47 H new ATOM 0 HB3 LEU A 4 16.327 -11.219 6.896 1.00 0.47 H new ATOM 0 HG LEU A 4 13.403 -10.426 6.833 1.00 0.43 H new ATOM 0 HD11 LEU A 4 14.253 -8.365 7.884 1.00 1.12 H new ATOM 0 HD12 LEU A 4 14.628 -9.806 8.858 1.00 1.12 H new ATOM 0 HD13 LEU A 4 15.898 -9.044 7.871 1.00 1.12 H new ATOM 0 HD21 LEU A 4 14.086 -8.524 5.431 1.00 1.25 H new ATOM 0 HD22 LEU A 4 15.728 -9.200 5.320 1.00 1.25 H new ATOM 0 HD23 LEU A 4 14.354 -10.081 4.611 1.00 1.25 H new ATOM 46 N THR A 5 16.130 -14.387 4.642 1.00 0.35 N ATOM 47 CA THR A 5 16.997 -15.561 4.626 1.00 0.37 C ATOM 48 C THR A 5 18.424 -15.161 4.260 1.00 0.35 C ATOM 49 O THR A 5 18.631 -14.134 3.629 1.00 0.39 O ATOM 50 CB THR A 5 16.488 -16.618 3.624 1.00 0.40 C ATOM 51 OG1 THR A 5 15.120 -16.937 3.905 1.00 0.46 O ATOM 52 CG2 THR A 5 17.329 -17.885 3.688 1.00 0.47 C ATOM 0 H THR A 5 15.606 -14.239 3.779 1.00 0.35 H new ATOM 0 HA THR A 5 16.985 -15.995 5.626 1.00 0.37 H new ATOM 0 HB THR A 5 16.570 -16.200 2.621 1.00 0.40 H new ATOM 0 HG1 THR A 5 14.802 -17.607 3.265 1.00 0.46 H new ATOM 0 HG21 THR A 5 16.947 -18.612 2.971 1.00 0.47 H new ATOM 0 HG22 THR A 5 18.365 -17.647 3.446 1.00 0.47 H new ATOM 0 HG23 THR A 5 17.278 -18.305 4.693 1.00 0.47 H new ATOM 60 N GLU A 6 19.401 -15.969 4.660 1.00 0.36 N ATOM 61 CA GLU A 6 20.809 -15.678 4.378 1.00 0.37 C ATOM 62 C GLU A 6 21.010 -15.108 2.971 1.00 0.33 C ATOM 63 O GLU A 6 21.774 -14.158 2.779 1.00 0.34 O ATOM 64 CB GLU A 6 21.650 -16.943 4.550 1.00 0.45 C ATOM 65 CG GLU A 6 21.814 -17.366 6.000 1.00 0.87 C ATOM 66 CD GLU A 6 22.529 -18.696 6.142 1.00 0.98 C ATOM 67 OE1 GLU A 6 23.767 -18.726 5.975 1.00 1.20 O ATOM 68 OE2 GLU A 6 21.852 -19.707 6.419 1.00 1.17 O ATOM 0 H GLU A 6 19.247 -16.832 5.181 1.00 0.36 H new ATOM 0 HA GLU A 6 21.133 -14.919 5.090 1.00 0.37 H new ATOM 0 HB2 GLU A 6 21.187 -17.757 3.992 1.00 0.45 H new ATOM 0 HB3 GLU A 6 22.635 -16.778 4.114 1.00 0.45 H new ATOM 0 HG2 GLU A 6 22.371 -16.599 6.538 1.00 0.87 H new ATOM 0 HG3 GLU A 6 20.832 -17.434 6.468 1.00 0.87 H new ATOM 75 N GLU A 7 20.310 -15.677 1.994 1.00 0.34 N ATOM 76 CA GLU A 7 20.428 -15.233 0.610 1.00 0.35 C ATOM 77 C GLU A 7 19.672 -13.930 0.390 1.00 0.30 C ATOM 78 O GLU A 7 20.178 -13.006 -0.247 1.00 0.30 O ATOM 79 CB GLU A 7 19.906 -16.313 -0.340 1.00 0.44 C ATOM 80 CG GLU A 7 18.487 -16.765 -0.033 1.00 0.47 C ATOM 81 CD GLU A 7 18.010 -17.861 -0.966 1.00 0.57 C ATOM 82 OE1 GLU A 7 18.241 -19.049 -0.654 1.00 0.61 O ATOM 83 OE2 GLU A 7 17.405 -17.531 -2.008 1.00 0.64 O ATOM 0 H GLU A 7 19.655 -16.446 2.136 1.00 0.34 H new ATOM 0 HA GLU A 7 21.483 -15.056 0.399 1.00 0.35 H new ATOM 0 HB2 GLU A 7 19.944 -15.935 -1.362 1.00 0.44 H new ATOM 0 HB3 GLU A 7 20.570 -17.176 -0.295 1.00 0.44 H new ATOM 0 HG2 GLU A 7 18.438 -17.122 0.996 1.00 0.47 H new ATOM 0 HG3 GLU A 7 17.814 -15.911 -0.107 1.00 0.47 H new ATOM 90 N GLN A 8 18.455 -13.865 0.918 1.00 0.30 N ATOM 91 CA GLN A 8 17.629 -12.674 0.794 1.00 0.30 C ATOM 92 C GLN A 8 18.322 -11.481 1.439 1.00 0.25 C ATOM 93 O GLN A 8 18.442 -10.417 0.835 1.00 0.24 O ATOM 94 CB GLN A 8 16.275 -12.921 1.454 1.00 0.35 C ATOM 95 CG GLN A 8 15.491 -14.055 0.817 1.00 0.45 C ATOM 96 CD GLN A 8 14.993 -13.712 -0.574 1.00 0.72 C ATOM 97 OE1 GLN A 8 14.698 -12.436 -0.799 1.00 1.32 O flip ATOM 98 NE2 GLN A 8 14.871 -14.583 -1.434 1.00 1.02 N flip ATOM 0 H GLN A 8 18.019 -14.627 1.437 1.00 0.30 H new ATOM 0 HA GLN A 8 17.477 -12.453 -0.262 1.00 0.30 H new ATOM 0 HB2 GLN A 8 16.429 -13.144 2.510 1.00 0.35 H new ATOM 0 HB3 GLN A 8 15.683 -12.007 1.404 1.00 0.35 H new ATOM 0 HG2 GLN A 8 16.121 -14.943 0.764 1.00 0.45 H new ATOM 0 HG3 GLN A 8 14.641 -14.305 1.452 1.00 0.45 H new ATOM 0 HE21 GLN A 8 15.109 -15.551 -1.217 1.00 1.02 H new ATOM 0 HE22 GLN A 8 14.531 -14.337 -2.364 1.00 1.02 H new ATOM 107 N ILE A 9 18.777 -11.675 2.672 1.00 0.25 N ATOM 108 CA ILE A 9 19.471 -10.635 3.413 1.00 0.26 C ATOM 109 C ILE A 9 20.613 -10.063 2.588 1.00 0.25 C ATOM 110 O ILE A 9 20.702 -8.854 2.391 1.00 0.27 O ATOM 111 CB ILE A 9 20.028 -11.174 4.748 1.00 0.32 C ATOM 112 CG1 ILE A 9 18.882 -11.660 5.641 1.00 0.37 C ATOM 113 CG2 ILE A 9 20.847 -10.105 5.459 1.00 0.34 C ATOM 114 CD1 ILE A 9 19.347 -12.310 6.926 1.00 0.45 C ATOM 0 H ILE A 9 18.675 -12.553 3.181 1.00 0.25 H new ATOM 0 HA ILE A 9 18.747 -9.849 3.627 1.00 0.26 H new ATOM 0 HB ILE A 9 20.685 -12.018 4.535 1.00 0.32 H new ATOM 0 HG12 ILE A 9 18.239 -10.814 5.884 1.00 0.37 H new ATOM 0 HG13 ILE A 9 18.275 -12.372 5.083 1.00 0.37 H new ATOM 0 HG21 ILE A 9 21.231 -10.505 6.398 1.00 0.34 H new ATOM 0 HG22 ILE A 9 21.681 -9.804 4.825 1.00 0.34 H new ATOM 0 HG23 ILE A 9 20.216 -9.240 5.664 1.00 0.34 H new ATOM 0 HD11 ILE A 9 18.481 -12.629 7.507 1.00 0.45 H new ATOM 0 HD12 ILE A 9 19.966 -13.176 6.692 1.00 0.45 H new ATOM 0 HD13 ILE A 9 19.929 -11.594 7.506 1.00 0.45 H new ATOM 126 N ALA A 10 21.473 -10.945 2.099 1.00 0.26 N ATOM 127 CA ALA A 10 22.616 -10.537 1.294 1.00 0.28 C ATOM 128 C ALA A 10 22.179 -9.963 -0.053 1.00 0.24 C ATOM 129 O ALA A 10 22.934 -9.231 -0.696 1.00 0.25 O ATOM 130 CB ALA A 10 23.543 -11.726 1.089 1.00 0.36 C ATOM 0 H ALA A 10 21.400 -11.952 2.246 1.00 0.26 H new ATOM 0 HA ALA A 10 23.147 -9.748 1.827 1.00 0.28 H new ATOM 0 HB1 ALA A 10 24.399 -11.421 0.486 1.00 0.36 H new ATOM 0 HB2 ALA A 10 23.891 -12.087 2.057 1.00 0.36 H new ATOM 0 HB3 ALA A 10 23.004 -12.523 0.577 1.00 0.36 H new ATOM 136 N GLU A 11 20.957 -10.284 -0.472 1.00 0.24 N ATOM 137 CA GLU A 11 20.442 -9.810 -1.755 1.00 0.25 C ATOM 138 C GLU A 11 20.157 -8.307 -1.738 1.00 0.22 C ATOM 139 O GLU A 11 20.706 -7.558 -2.551 1.00 0.22 O ATOM 140 CB GLU A 11 19.174 -10.584 -2.130 1.00 0.31 C ATOM 141 CG GLU A 11 18.537 -10.118 -3.430 1.00 0.40 C ATOM 142 CD GLU A 11 17.253 -10.858 -3.749 1.00 1.06 C ATOM 143 OE1 GLU A 11 16.207 -10.513 -3.159 1.00 1.93 O ATOM 144 OE2 GLU A 11 17.293 -11.782 -4.589 1.00 1.02 O ATOM 0 H GLU A 11 20.307 -10.868 0.055 1.00 0.24 H new ATOM 0 HA GLU A 11 21.212 -9.988 -2.505 1.00 0.25 H new ATOM 0 HB2 GLU A 11 19.417 -11.643 -2.214 1.00 0.31 H new ATOM 0 HB3 GLU A 11 18.447 -10.486 -1.324 1.00 0.31 H new ATOM 0 HG2 GLU A 11 18.330 -9.050 -3.366 1.00 0.40 H new ATOM 0 HG3 GLU A 11 19.245 -10.257 -4.247 1.00 0.40 H new ATOM 151 N PHE A 12 19.314 -7.859 -0.809 1.00 0.21 N ATOM 152 CA PHE A 12 18.982 -6.441 -0.726 1.00 0.23 C ATOM 153 C PHE A 12 20.085 -5.664 -0.023 1.00 0.20 C ATOM 154 O PHE A 12 20.290 -4.483 -0.294 1.00 0.22 O ATOM 155 CB PHE A 12 17.637 -6.218 -0.029 1.00 0.29 C ATOM 156 CG PHE A 12 17.545 -6.800 1.349 1.00 0.27 C ATOM 157 CD1 PHE A 12 18.056 -6.118 2.441 1.00 0.32 C ATOM 158 CD2 PHE A 12 16.934 -8.025 1.555 1.00 0.27 C ATOM 159 CE1 PHE A 12 17.960 -6.651 3.710 1.00 0.36 C ATOM 160 CE2 PHE A 12 16.835 -8.560 2.820 1.00 0.28 C ATOM 161 CZ PHE A 12 17.349 -7.873 3.898 1.00 0.33 C ATOM 0 H PHE A 12 18.855 -8.448 -0.114 1.00 0.21 H new ATOM 0 HA PHE A 12 18.894 -6.067 -1.746 1.00 0.23 H new ATOM 0 HB2 PHE A 12 17.446 -5.146 0.030 1.00 0.29 H new ATOM 0 HB3 PHE A 12 16.848 -6.649 -0.645 1.00 0.29 H new ATOM 0 HD1 PHE A 12 18.534 -5.160 2.298 1.00 0.32 H new ATOM 0 HD2 PHE A 12 16.530 -8.568 0.713 1.00 0.27 H new ATOM 0 HE1 PHE A 12 18.363 -6.112 4.555 1.00 0.36 H new ATOM 0 HE2 PHE A 12 16.355 -9.516 2.967 1.00 0.28 H new ATOM 0 HZ PHE A 12 17.273 -8.292 4.891 1.00 0.33 H new ATOM 171 N LYS A 13 20.790 -6.328 0.888 1.00 0.18 N ATOM 172 CA LYS A 13 21.885 -5.690 1.600 1.00 0.21 C ATOM 173 C LYS A 13 22.949 -5.257 0.600 1.00 0.19 C ATOM 174 O LYS A 13 23.569 -4.202 0.745 1.00 0.24 O ATOM 175 CB LYS A 13 22.473 -6.643 2.644 1.00 0.26 C ATOM 176 CG LYS A 13 23.763 -6.143 3.273 1.00 0.31 C ATOM 177 CD LYS A 13 23.517 -4.901 4.112 1.00 0.40 C ATOM 178 CE LYS A 13 24.808 -4.356 4.693 1.00 0.68 C ATOM 179 NZ LYS A 13 25.780 -3.977 3.631 1.00 1.53 N ATOM 0 H LYS A 13 20.622 -7.300 1.147 1.00 0.18 H new ATOM 0 HA LYS A 13 21.512 -4.811 2.126 1.00 0.21 H new ATOM 0 HB2 LYS A 13 21.736 -6.806 3.430 1.00 0.26 H new ATOM 0 HB3 LYS A 13 22.659 -7.610 2.176 1.00 0.26 H new ATOM 0 HG2 LYS A 13 24.195 -6.926 3.896 1.00 0.31 H new ATOM 0 HG3 LYS A 13 24.489 -5.920 2.492 1.00 0.31 H new ATOM 0 HD2 LYS A 13 23.041 -4.135 3.499 1.00 0.40 H new ATOM 0 HD3 LYS A 13 22.825 -5.138 4.920 1.00 0.40 H new ATOM 0 HE2 LYS A 13 24.589 -3.486 5.311 1.00 0.68 H new ATOM 0 HE3 LYS A 13 25.257 -5.105 5.345 1.00 0.68 H new ATOM 0 HZ1 LYS A 13 26.561 -4.664 3.614 1.00 1.53 H new ATOM 0 HZ2 LYS A 13 25.301 -3.973 2.708 1.00 1.53 H new ATOM 0 HZ3 LYS A 13 26.158 -3.029 3.829 1.00 1.53 H new ATOM 193 N ASP A 14 23.150 -6.089 -0.420 1.00 0.16 N ATOM 194 CA ASP A 14 24.111 -5.791 -1.471 1.00 0.19 C ATOM 195 C ASP A 14 23.622 -4.606 -2.295 1.00 0.18 C ATOM 196 O ASP A 14 24.335 -3.621 -2.473 1.00 0.20 O ATOM 197 CB ASP A 14 24.306 -7.008 -2.377 1.00 0.23 C ATOM 198 CG ASP A 14 25.341 -6.763 -3.458 1.00 0.30 C ATOM 199 OD1 ASP A 14 26.537 -7.016 -3.203 1.00 0.38 O ATOM 200 OD2 ASP A 14 24.956 -6.316 -4.559 1.00 0.39 O ATOM 0 H ASP A 14 22.658 -6.975 -0.538 1.00 0.16 H new ATOM 0 HA ASP A 14 25.067 -5.541 -1.011 1.00 0.19 H new ATOM 0 HB2 ASP A 14 24.611 -7.862 -1.773 1.00 0.23 H new ATOM 0 HB3 ASP A 14 23.355 -7.269 -2.841 1.00 0.23 H new ATOM 205 N ALA A 15 22.392 -4.707 -2.790 1.00 0.17 N ATOM 206 CA ALA A 15 21.802 -3.639 -3.585 1.00 0.19 C ATOM 207 C ALA A 15 21.676 -2.354 -2.767 1.00 0.20 C ATOM 208 O ALA A 15 21.445 -1.279 -3.318 1.00 0.24 O ATOM 209 CB ALA A 15 20.443 -4.070 -4.116 1.00 0.22 C ATOM 0 H ALA A 15 21.787 -5.517 -2.654 1.00 0.17 H new ATOM 0 HA ALA A 15 22.460 -3.436 -4.430 1.00 0.19 H new ATOM 0 HB1 ALA A 15 20.012 -3.263 -4.709 1.00 0.22 H new ATOM 0 HB2 ALA A 15 20.560 -4.956 -4.740 1.00 0.22 H new ATOM 0 HB3 ALA A 15 19.782 -4.300 -3.280 1.00 0.22 H new ATOM 215 N PHE A 16 21.831 -2.473 -1.448 1.00 0.21 N ATOM 216 CA PHE A 16 21.729 -1.326 -0.552 1.00 0.25 C ATOM 217 C PHE A 16 23.012 -0.500 -0.575 1.00 0.23 C ATOM 218 O PHE A 16 22.978 0.709 -0.805 1.00 0.24 O ATOM 219 CB PHE A 16 21.426 -1.807 0.870 1.00 0.31 C ATOM 220 CG PHE A 16 21.449 -0.718 1.903 1.00 0.35 C ATOM 221 CD1 PHE A 16 20.391 0.168 2.014 1.00 0.43 C ATOM 222 CD2 PHE A 16 22.531 -0.577 2.757 1.00 0.41 C ATOM 223 CE1 PHE A 16 20.410 1.177 2.958 1.00 0.52 C ATOM 224 CE2 PHE A 16 22.557 0.430 3.702 1.00 0.50 C ATOM 225 CZ PHE A 16 21.490 1.285 3.828 1.00 0.54 C ATOM 0 H PHE A 16 22.028 -3.356 -0.977 1.00 0.21 H new ATOM 0 HA PHE A 16 20.915 -0.687 -0.894 1.00 0.25 H new ATOM 0 HB2 PHE A 16 20.445 -2.282 0.880 1.00 0.31 H new ATOM 0 HB3 PHE A 16 22.153 -2.571 1.146 1.00 0.31 H new ATOM 0 HD1 PHE A 16 19.541 0.069 1.355 1.00 0.43 H new ATOM 0 HD2 PHE A 16 23.363 -1.262 2.683 1.00 0.41 H new ATOM 0 HE1 PHE A 16 19.591 1.878 3.020 1.00 0.52 H new ATOM 0 HE2 PHE A 16 23.418 0.545 4.343 1.00 0.50 H new ATOM 0 HZ PHE A 16 21.489 2.040 4.601 1.00 0.54 H new ATOM 235 N VAL A 17 24.139 -1.160 -0.332 1.00 0.23 N ATOM 236 CA VAL A 17 25.432 -0.486 -0.331 1.00 0.24 C ATOM 237 C VAL A 17 25.750 0.080 -1.708 1.00 0.23 C ATOM 238 O VAL A 17 26.475 1.067 -1.836 1.00 0.28 O ATOM 239 CB VAL A 17 26.561 -1.442 0.086 1.00 0.28 C ATOM 240 CG1 VAL A 17 26.489 -1.725 1.576 1.00 0.90 C ATOM 241 CG2 VAL A 17 26.487 -2.734 -0.715 1.00 0.76 C ATOM 0 H VAL A 17 24.183 -2.160 -0.133 1.00 0.23 H new ATOM 0 HA VAL A 17 25.367 0.327 0.392 1.00 0.24 H new ATOM 0 HB VAL A 17 27.518 -0.966 -0.126 1.00 0.28 H new ATOM 0 HG11 VAL A 17 27.295 -2.403 1.857 1.00 0.90 H new ATOM 0 HG12 VAL A 17 26.591 -0.791 2.129 1.00 0.90 H new ATOM 0 HG13 VAL A 17 25.529 -2.184 1.813 1.00 0.90 H new ATOM 0 HG21 VAL A 17 27.293 -3.400 -0.407 1.00 0.76 H new ATOM 0 HG22 VAL A 17 25.528 -3.219 -0.535 1.00 0.76 H new ATOM 0 HG23 VAL A 17 26.587 -2.510 -1.777 1.00 0.76 H new ATOM 251 N GLN A 18 25.200 -0.556 -2.732 1.00 0.20 N ATOM 252 CA GLN A 18 25.410 -0.131 -4.108 1.00 0.21 C ATOM 253 C GLN A 18 24.859 1.272 -4.346 1.00 0.21 C ATOM 254 O GLN A 18 25.203 1.918 -5.336 1.00 0.26 O ATOM 255 CB GLN A 18 24.756 -1.127 -5.057 1.00 0.24 C ATOM 256 CG GLN A 18 25.662 -2.287 -5.448 1.00 0.29 C ATOM 257 CD GLN A 18 26.832 -2.503 -4.505 1.00 1.04 C ATOM 258 OE1 GLN A 18 27.852 -1.818 -4.595 1.00 1.86 O ATOM 259 NE2 GLN A 18 26.708 -3.485 -3.625 1.00 1.60 N ATOM 0 H GLN A 18 24.600 -1.375 -2.634 1.00 0.20 H new ATOM 0 HA GLN A 18 26.483 -0.101 -4.299 1.00 0.21 H new ATOM 0 HB2 GLN A 18 23.855 -1.523 -4.589 1.00 0.24 H new ATOM 0 HB3 GLN A 18 24.442 -0.603 -5.960 1.00 0.24 H new ATOM 0 HG2 GLN A 18 25.068 -3.200 -5.489 1.00 0.29 H new ATOM 0 HG3 GLN A 18 26.046 -2.112 -6.453 1.00 0.29 H new ATOM 0 HE21 GLN A 18 25.845 -4.028 -3.584 1.00 1.60 H new ATOM 0 HE22 GLN A 18 27.475 -3.699 -2.988 1.00 1.60 H new ATOM 268 N PHE A 19 24.005 1.743 -3.439 1.00 0.22 N ATOM 269 CA PHE A 19 23.424 3.077 -3.569 1.00 0.25 C ATOM 270 C PHE A 19 23.794 3.967 -2.384 1.00 0.23 C ATOM 271 O PHE A 19 23.113 4.954 -2.105 1.00 0.32 O ATOM 272 CB PHE A 19 21.903 2.988 -3.708 1.00 0.29 C ATOM 273 CG PHE A 19 21.453 2.350 -4.992 1.00 0.30 C ATOM 274 CD1 PHE A 19 21.715 2.954 -6.212 1.00 0.64 C ATOM 275 CD2 PHE A 19 20.768 1.147 -4.978 1.00 0.44 C ATOM 276 CE1 PHE A 19 21.301 2.368 -7.394 1.00 0.69 C ATOM 277 CE2 PHE A 19 20.353 0.556 -6.157 1.00 0.46 C ATOM 278 CZ PHE A 19 20.619 1.167 -7.365 1.00 0.42 C ATOM 0 H PHE A 19 23.702 1.226 -2.613 1.00 0.22 H new ATOM 0 HA PHE A 19 23.837 3.530 -4.471 1.00 0.25 H new ATOM 0 HB2 PHE A 19 21.502 2.419 -2.869 1.00 0.29 H new ATOM 0 HB3 PHE A 19 21.481 3.991 -3.643 1.00 0.29 H new ATOM 0 HD1 PHE A 19 22.248 3.893 -6.240 1.00 0.64 H new ATOM 0 HD2 PHE A 19 20.555 0.665 -4.035 1.00 0.44 H new ATOM 0 HE1 PHE A 19 21.510 2.848 -8.338 1.00 0.69 H new ATOM 0 HE2 PHE A 19 19.821 -0.383 -6.132 1.00 0.46 H new ATOM 0 HZ PHE A 19 20.295 0.707 -8.287 1.00 0.42 H new ATOM 288 N ASP A 20 24.873 3.614 -1.690 1.00 0.25 N ATOM 289 CA ASP A 20 25.334 4.395 -0.545 1.00 0.24 C ATOM 290 C ASP A 20 26.324 5.470 -0.991 1.00 0.24 C ATOM 291 O ASP A 20 27.493 5.180 -1.243 1.00 0.29 O ATOM 292 CB ASP A 20 25.991 3.480 0.492 1.00 0.28 C ATOM 293 CG ASP A 20 26.406 4.228 1.743 1.00 0.32 C ATOM 294 OD1 ASP A 20 27.518 4.798 1.753 1.00 0.37 O ATOM 295 OD2 ASP A 20 25.619 4.246 2.713 1.00 0.37 O ATOM 0 H ASP A 20 25.443 2.795 -1.900 1.00 0.25 H new ATOM 0 HA ASP A 20 24.470 4.882 -0.093 1.00 0.24 H new ATOM 0 HB2 ASP A 20 25.297 2.684 0.762 1.00 0.28 H new ATOM 0 HB3 ASP A 20 26.866 3.004 0.050 1.00 0.28 H new ATOM 300 N LYS A 21 25.847 6.710 -1.091 1.00 0.24 N ATOM 301 CA LYS A 21 26.695 7.821 -1.517 1.00 0.30 C ATOM 302 C LYS A 21 27.176 8.652 -0.331 1.00 0.29 C ATOM 303 O LYS A 21 28.378 8.764 -0.089 1.00 0.33 O ATOM 304 CB LYS A 21 25.944 8.721 -2.503 1.00 0.36 C ATOM 305 CG LYS A 21 25.911 8.184 -3.925 1.00 0.90 C ATOM 306 CD LYS A 21 25.078 6.919 -4.031 1.00 1.04 C ATOM 307 CE LYS A 21 25.035 6.403 -5.460 1.00 1.70 C ATOM 308 NZ LYS A 21 26.398 6.129 -5.992 1.00 2.47 N ATOM 0 H LYS A 21 24.883 6.969 -0.884 1.00 0.24 H new ATOM 0 HA LYS A 21 27.568 7.391 -2.008 1.00 0.30 H new ATOM 0 HB2 LYS A 21 24.921 8.854 -2.151 1.00 0.36 H new ATOM 0 HB3 LYS A 21 26.410 9.706 -2.508 1.00 0.36 H new ATOM 0 HG2 LYS A 21 25.504 8.944 -4.591 1.00 0.90 H new ATOM 0 HG3 LYS A 21 26.928 7.979 -4.260 1.00 0.90 H new ATOM 0 HD2 LYS A 21 25.494 6.152 -3.378 1.00 1.04 H new ATOM 0 HD3 LYS A 21 24.064 7.119 -3.684 1.00 1.04 H new ATOM 0 HE2 LYS A 21 24.440 5.491 -5.499 1.00 1.70 H new ATOM 0 HE3 LYS A 21 24.538 7.135 -6.096 1.00 1.70 H new ATOM 0 HZ1 LYS A 21 26.325 5.551 -6.853 1.00 2.47 H new ATOM 0 HZ2 LYS A 21 26.870 7.028 -6.218 1.00 2.47 H new ATOM 0 HZ3 LYS A 21 26.953 5.617 -5.277 1.00 2.47 H new ATOM 322 N GLU A 22 26.226 9.237 0.397 1.00 0.27 N ATOM 323 CA GLU A 22 26.541 10.076 1.552 1.00 0.29 C ATOM 324 C GLU A 22 27.608 9.441 2.440 1.00 0.31 C ATOM 325 O GLU A 22 28.511 10.126 2.922 1.00 0.41 O ATOM 326 CB GLU A 22 25.277 10.346 2.372 1.00 0.31 C ATOM 327 CG GLU A 22 24.184 11.055 1.588 1.00 0.35 C ATOM 328 CD GLU A 22 24.609 12.428 1.107 1.00 0.51 C ATOM 329 OE1 GLU A 22 25.234 12.513 0.029 1.00 0.44 O ATOM 330 OE2 GLU A 22 24.314 13.419 1.808 1.00 0.93 O ATOM 0 H GLU A 22 25.228 9.145 0.206 1.00 0.27 H new ATOM 0 HA GLU A 22 26.937 11.018 1.173 1.00 0.29 H new ATOM 0 HB2 GLU A 22 24.888 9.399 2.747 1.00 0.31 H new ATOM 0 HB3 GLU A 22 25.539 10.950 3.241 1.00 0.31 H new ATOM 0 HG2 GLU A 22 23.903 10.444 0.730 1.00 0.35 H new ATOM 0 HG3 GLU A 22 23.297 11.152 2.214 1.00 0.35 H new ATOM 337 N GLY A 23 27.504 8.133 2.648 1.00 0.31 N ATOM 338 CA GLY A 23 28.469 7.437 3.480 1.00 0.34 C ATOM 339 C GLY A 23 28.073 7.437 4.942 1.00 0.34 C ATOM 340 O GLY A 23 28.795 6.913 5.790 1.00 0.39 O ATOM 0 H GLY A 23 26.770 7.543 2.256 1.00 0.31 H new ATOM 0 HA2 GLY A 23 28.570 6.409 3.133 1.00 0.34 H new ATOM 0 HA3 GLY A 23 29.446 7.907 3.370 1.00 0.34 H new ATOM 344 N THR A 24 26.919 8.030 5.234 1.00 0.34 N ATOM 345 CA THR A 24 26.410 8.105 6.599 1.00 0.38 C ATOM 346 C THR A 24 25.731 6.802 7.003 1.00 0.36 C ATOM 347 O THR A 24 24.846 6.794 7.858 1.00 0.40 O ATOM 348 CB THR A 24 25.390 9.250 6.747 1.00 0.41 C ATOM 349 OG1 THR A 24 24.266 9.013 5.892 1.00 1.23 O ATOM 350 CG2 THR A 24 26.019 10.589 6.400 1.00 1.39 C ATOM 0 H THR A 24 26.316 8.468 4.538 1.00 0.34 H new ATOM 0 HA THR A 24 27.266 8.289 7.248 1.00 0.38 H new ATOM 0 HB THR A 24 25.062 9.281 7.786 1.00 0.41 H new ATOM 0 HG1 THR A 24 23.565 9.671 6.083 1.00 1.23 H new ATOM 0 HG21 THR A 24 25.277 11.380 6.513 1.00 1.39 H new ATOM 0 HG22 THR A 24 26.858 10.781 7.068 1.00 1.39 H new ATOM 0 HG23 THR A 24 26.373 10.568 5.369 1.00 1.39 H new ATOM 358 N GLY A 25 26.149 5.700 6.388 1.00 0.34 N ATOM 359 CA GLY A 25 25.542 4.418 6.686 1.00 0.37 C ATOM 360 C GLY A 25 24.124 4.357 6.162 1.00 0.31 C ATOM 361 O GLY A 25 23.416 3.366 6.349 1.00 0.36 O ATOM 0 H GLY A 25 26.894 5.673 5.692 1.00 0.34 H new ATOM 0 HA2 GLY A 25 26.134 3.619 6.240 1.00 0.37 H new ATOM 0 HA3 GLY A 25 25.543 4.252 7.763 1.00 0.37 H new ATOM 365 N LYS A 26 23.719 5.436 5.497 1.00 0.27 N ATOM 366 CA LYS A 26 22.386 5.548 4.928 1.00 0.23 C ATOM 367 C LYS A 26 22.468 5.866 3.440 1.00 0.21 C ATOM 368 O LYS A 26 23.467 6.412 2.971 1.00 0.24 O ATOM 369 CB LYS A 26 21.591 6.634 5.657 1.00 0.25 C ATOM 370 CG LYS A 26 21.344 6.321 7.125 1.00 0.29 C ATOM 371 CD LYS A 26 20.431 7.350 7.776 1.00 0.51 C ATOM 372 CE LYS A 26 19.046 7.348 7.150 1.00 0.89 C ATOM 373 NZ LYS A 26 18.161 8.382 7.755 1.00 1.58 N ATOM 0 H LYS A 26 24.307 6.254 5.340 1.00 0.27 H new ATOM 0 HA LYS A 26 21.874 4.594 5.051 1.00 0.23 H new ATOM 0 HB2 LYS A 26 22.128 7.580 5.580 1.00 0.25 H new ATOM 0 HB3 LYS A 26 20.632 6.770 5.156 1.00 0.25 H new ATOM 0 HG2 LYS A 26 20.898 5.330 7.216 1.00 0.29 H new ATOM 0 HG3 LYS A 26 22.296 6.292 7.656 1.00 0.29 H new ATOM 0 HD2 LYS A 26 20.349 7.141 8.843 1.00 0.51 H new ATOM 0 HD3 LYS A 26 20.873 8.342 7.679 1.00 0.51 H new ATOM 0 HE2 LYS A 26 19.132 7.526 6.078 1.00 0.89 H new ATOM 0 HE3 LYS A 26 18.593 6.365 7.274 1.00 0.89 H new ATOM 0 HZ1 LYS A 26 17.226 8.348 7.301 1.00 1.58 H new ATOM 0 HZ2 LYS A 26 18.058 8.198 8.773 1.00 1.58 H new ATOM 0 HZ3 LYS A 26 18.580 9.323 7.614 1.00 1.58 H new ATOM 387 N ILE A 27 21.420 5.521 2.699 1.00 0.19 N ATOM 388 CA ILE A 27 21.396 5.767 1.260 1.00 0.20 C ATOM 389 C ILE A 27 20.321 6.776 0.879 1.00 0.19 C ATOM 390 O ILE A 27 19.281 6.868 1.526 1.00 0.23 O ATOM 391 CB ILE A 27 21.161 4.463 0.472 1.00 0.23 C ATOM 392 CG1 ILE A 27 19.711 3.996 0.618 1.00 0.26 C ATOM 393 CG2 ILE A 27 22.114 3.383 0.951 1.00 0.25 C ATOM 394 CD1 ILE A 27 19.028 3.747 -0.706 1.00 0.54 C ATOM 0 H ILE A 27 20.581 5.073 3.067 1.00 0.19 H new ATOM 0 HA ILE A 27 22.373 6.175 1.000 1.00 0.20 H new ATOM 0 HB ILE A 27 21.352 4.658 -0.583 1.00 0.23 H new ATOM 0 HG12 ILE A 27 19.689 3.080 1.208 1.00 0.26 H new ATOM 0 HG13 ILE A 27 19.149 4.747 1.174 1.00 0.26 H new ATOM 0 HG21 ILE A 27 21.939 2.467 0.387 1.00 0.25 H new ATOM 0 HG22 ILE A 27 23.142 3.711 0.799 1.00 0.25 H new ATOM 0 HG23 ILE A 27 21.947 3.194 2.011 1.00 0.25 H new ATOM 0 HD11 ILE A 27 18.004 3.419 -0.531 1.00 0.54 H new ATOM 0 HD12 ILE A 27 19.019 4.668 -1.290 1.00 0.54 H new ATOM 0 HD13 ILE A 27 19.568 2.975 -1.254 1.00 0.54 H new ATOM 406 N ALA A 28 20.578 7.530 -0.181 1.00 0.23 N ATOM 407 CA ALA A 28 19.632 8.531 -0.644 1.00 0.25 C ATOM 408 C ALA A 28 18.314 7.882 -1.065 1.00 0.25 C ATOM 409 O ALA A 28 18.293 7.006 -1.928 1.00 0.28 O ATOM 410 CB ALA A 28 20.225 9.324 -1.798 1.00 0.31 C ATOM 0 H ALA A 28 21.432 7.466 -0.734 1.00 0.23 H new ATOM 0 HA ALA A 28 19.426 9.213 0.181 1.00 0.25 H new ATOM 0 HB1 ALA A 28 19.505 10.070 -2.135 1.00 0.31 H new ATOM 0 HB2 ALA A 28 21.136 9.822 -1.467 1.00 0.31 H new ATOM 0 HB3 ALA A 28 20.459 8.649 -2.621 1.00 0.31 H new ATOM 416 N THR A 29 17.217 8.313 -0.442 1.00 0.28 N ATOM 417 CA THR A 29 15.893 7.779 -0.749 1.00 0.31 C ATOM 418 C THR A 29 15.529 8.019 -2.207 1.00 0.32 C ATOM 419 O THR A 29 14.661 7.341 -2.759 1.00 0.34 O ATOM 420 CB THR A 29 14.812 8.411 0.143 1.00 0.39 C ATOM 421 OG1 THR A 29 14.727 9.819 -0.111 1.00 0.40 O ATOM 422 CG2 THR A 29 15.123 8.174 1.612 1.00 0.43 C ATOM 0 H THR A 29 17.221 9.033 0.281 1.00 0.28 H new ATOM 0 HA THR A 29 15.934 6.707 -0.557 1.00 0.31 H new ATOM 0 HB THR A 29 13.856 7.943 -0.092 1.00 0.39 H new ATOM 0 HG1 THR A 29 14.035 10.213 0.460 1.00 0.40 H new ATOM 0 HG21 THR A 29 14.346 8.629 2.226 1.00 0.43 H new ATOM 0 HG22 THR A 29 15.159 7.102 1.808 1.00 0.43 H new ATOM 0 HG23 THR A 29 16.087 8.620 1.856 1.00 0.43 H new ATOM 430 N ARG A 30 16.189 8.993 -2.825 1.00 0.35 N ATOM 431 CA ARG A 30 15.942 9.312 -4.224 1.00 0.40 C ATOM 432 C ARG A 30 16.354 8.141 -5.108 1.00 0.40 C ATOM 433 O ARG A 30 16.047 8.107 -6.301 1.00 0.52 O ATOM 434 CB ARG A 30 16.711 10.571 -4.629 1.00 0.46 C ATOM 435 CG ARG A 30 16.328 11.803 -3.826 1.00 0.50 C ATOM 436 CD ARG A 30 17.215 12.988 -4.173 1.00 0.73 C ATOM 437 NE ARG A 30 17.140 13.333 -5.591 1.00 1.71 N ATOM 438 CZ ARG A 30 18.195 13.378 -6.397 1.00 2.26 C ATOM 439 NH1 ARG A 30 19.404 13.087 -5.933 1.00 2.04 N ATOM 440 NH2 ARG A 30 18.043 13.711 -7.672 1.00 3.39 N ATOM 0 H ARG A 30 16.898 9.574 -2.378 1.00 0.35 H new ATOM 0 HA ARG A 30 14.876 9.498 -4.355 1.00 0.40 H new ATOM 0 HB2 ARG A 30 17.779 10.388 -4.511 1.00 0.46 H new ATOM 0 HB3 ARG A 30 16.537 10.768 -5.687 1.00 0.46 H new ATOM 0 HG2 ARG A 30 15.286 12.057 -4.021 1.00 0.50 H new ATOM 0 HG3 ARG A 30 16.409 11.585 -2.761 1.00 0.50 H new ATOM 0 HD2 ARG A 30 16.919 13.850 -3.574 1.00 0.73 H new ATOM 0 HD3 ARG A 30 18.247 12.757 -3.910 1.00 0.73 H new ATOM 0 HE ARG A 30 16.225 13.552 -5.985 1.00 1.71 H new ATOM 0 HH11 ARG A 30 19.526 12.828 -4.954 1.00 2.04 H new ATOM 0 HH12 ARG A 30 20.211 13.123 -6.555 1.00 2.04 H new ATOM 0 HH21 ARG A 30 17.116 13.933 -8.034 1.00 3.39 H new ATOM 0 HH22 ARG A 30 18.854 13.745 -8.290 1.00 3.39 H new ATOM 454 N GLU A 31 17.051 7.182 -4.507 1.00 0.33 N ATOM 455 CA GLU A 31 17.512 5.997 -5.219 1.00 0.36 C ATOM 456 C GLU A 31 16.767 4.758 -4.737 1.00 0.31 C ATOM 457 O GLU A 31 16.902 3.679 -5.315 1.00 0.33 O ATOM 458 CB GLU A 31 19.011 5.800 -5.013 1.00 0.42 C ATOM 459 CG GLU A 31 19.777 7.086 -4.753 1.00 0.52 C ATOM 460 CD GLU A 31 19.740 8.040 -5.933 1.00 1.10 C ATOM 461 OE1 GLU A 31 20.415 7.758 -6.945 1.00 1.12 O ATOM 462 OE2 GLU A 31 19.036 9.067 -5.846 1.00 2.01 O ATOM 0 H GLU A 31 17.310 7.204 -3.521 1.00 0.33 H new ATOM 0 HA GLU A 31 17.312 6.143 -6.281 1.00 0.36 H new ATOM 0 HB2 GLU A 31 19.165 5.122 -4.173 1.00 0.42 H new ATOM 0 HB3 GLU A 31 19.427 5.314 -5.896 1.00 0.42 H new ATOM 0 HG2 GLU A 31 19.359 7.582 -3.877 1.00 0.52 H new ATOM 0 HG3 GLU A 31 20.814 6.845 -4.518 1.00 0.52 H new ATOM 469 N LEU A 32 15.986 4.921 -3.671 1.00 0.31 N ATOM 470 CA LEU A 32 15.225 3.813 -3.106 1.00 0.33 C ATOM 471 C LEU A 32 14.338 3.163 -4.160 1.00 0.29 C ATOM 472 O LEU A 32 14.387 1.951 -4.346 1.00 0.29 O ATOM 473 CB LEU A 32 14.377 4.283 -1.921 1.00 0.40 C ATOM 474 CG LEU A 32 13.450 3.222 -1.319 1.00 0.57 C ATOM 475 CD1 LEU A 32 14.227 1.968 -0.946 1.00 1.39 C ATOM 476 CD2 LEU A 32 12.727 3.778 -0.104 1.00 1.39 C ATOM 0 H LEU A 32 15.865 5.809 -3.183 1.00 0.31 H new ATOM 0 HA LEU A 32 15.939 3.069 -2.751 1.00 0.33 H new ATOM 0 HB2 LEU A 32 15.044 4.645 -1.139 1.00 0.40 H new ATOM 0 HB3 LEU A 32 13.772 5.131 -2.242 1.00 0.40 H new ATOM 0 HG LEU A 32 12.711 2.951 -2.073 1.00 0.57 H new ATOM 0 HD11 LEU A 32 13.546 1.231 -0.521 1.00 1.39 H new ATOM 0 HD12 LEU A 32 14.700 1.554 -1.837 1.00 1.39 H new ATOM 0 HD13 LEU A 32 14.993 2.219 -0.213 1.00 1.39 H new ATOM 0 HD21 LEU A 32 12.072 3.012 0.312 1.00 1.39 H new ATOM 0 HD22 LEU A 32 13.457 4.079 0.648 1.00 1.39 H new ATOM 0 HD23 LEU A 32 12.132 4.643 -0.399 1.00 1.39 H new ATOM 488 N GLY A 33 13.530 3.969 -4.846 1.00 0.33 N ATOM 489 CA GLY A 33 12.654 3.432 -5.874 1.00 0.35 C ATOM 490 C GLY A 33 13.409 2.593 -6.882 1.00 0.33 C ATOM 491 O GLY A 33 12.895 1.588 -7.374 1.00 0.41 O ATOM 0 H GLY A 33 13.466 4.978 -4.709 1.00 0.33 H new ATOM 0 HA2 GLY A 33 11.877 2.826 -5.408 1.00 0.35 H new ATOM 0 HA3 GLY A 33 12.153 4.252 -6.388 1.00 0.35 H new ATOM 495 N THR A 34 14.635 3.007 -7.192 1.00 0.30 N ATOM 496 CA THR A 34 15.472 2.276 -8.132 1.00 0.31 C ATOM 497 C THR A 34 15.877 0.936 -7.530 1.00 0.27 C ATOM 498 O THR A 34 16.085 -0.048 -8.238 1.00 0.30 O ATOM 499 CB THR A 34 16.736 3.077 -8.498 1.00 0.37 C ATOM 500 OG1 THR A 34 16.370 4.378 -8.973 1.00 0.42 O ATOM 501 CG2 THR A 34 17.548 2.360 -9.566 1.00 0.41 C ATOM 0 H THR A 34 15.068 3.845 -6.805 1.00 0.30 H new ATOM 0 HA THR A 34 14.893 2.114 -9.041 1.00 0.31 H new ATOM 0 HB THR A 34 17.347 3.171 -7.600 1.00 0.37 H new ATOM 0 HG1 THR A 34 17.179 4.882 -9.202 1.00 0.42 H new ATOM 0 HG21 THR A 34 18.434 2.948 -9.805 1.00 0.41 H new ATOM 0 HG22 THR A 34 17.851 1.380 -9.196 1.00 0.41 H new ATOM 0 HG23 THR A 34 16.941 2.237 -10.463 1.00 0.41 H new ATOM 509 N LEU A 35 15.979 0.916 -6.205 1.00 0.27 N ATOM 510 CA LEU A 35 16.341 -0.289 -5.469 1.00 0.30 C ATOM 511 C LEU A 35 15.150 -1.235 -5.393 1.00 0.31 C ATOM 512 O LEU A 35 15.296 -2.455 -5.475 1.00 0.37 O ATOM 513 CB LEU A 35 16.777 0.088 -4.050 1.00 0.35 C ATOM 514 CG LEU A 35 17.918 -0.743 -3.455 1.00 0.50 C ATOM 515 CD1 LEU A 35 18.164 -0.340 -2.008 1.00 1.23 C ATOM 516 CD2 LEU A 35 17.613 -2.231 -3.548 1.00 1.25 C ATOM 0 H LEU A 35 15.814 1.731 -5.614 1.00 0.27 H new ATOM 0 HA LEU A 35 17.161 -0.786 -5.987 1.00 0.30 H new ATOM 0 HB2 LEU A 35 17.079 1.135 -4.050 1.00 0.35 H new ATOM 0 HB3 LEU A 35 15.912 0.005 -3.392 1.00 0.35 H new ATOM 0 HG LEU A 35 18.821 -0.546 -4.033 1.00 0.50 H new ATOM 0 HD11 LEU A 35 18.977 -0.938 -1.597 1.00 1.23 H new ATOM 0 HD12 LEU A 35 18.432 0.716 -1.965 1.00 1.23 H new ATOM 0 HD13 LEU A 35 17.259 -0.509 -1.424 1.00 1.23 H new ATOM 0 HD21 LEU A 35 18.438 -2.799 -3.119 1.00 1.25 H new ATOM 0 HD22 LEU A 35 16.697 -2.450 -2.998 1.00 1.25 H new ATOM 0 HD23 LEU A 35 17.484 -2.511 -4.593 1.00 1.25 H new ATOM 528 N MET A 36 13.968 -0.655 -5.235 1.00 0.35 N ATOM 529 CA MET A 36 12.737 -1.424 -5.124 1.00 0.43 C ATOM 530 C MET A 36 12.311 -1.997 -6.474 1.00 0.43 C ATOM 531 O MET A 36 11.588 -2.991 -6.528 1.00 0.54 O ATOM 532 CB MET A 36 11.626 -0.551 -4.534 1.00 0.56 C ATOM 533 CG MET A 36 12.084 0.271 -3.337 1.00 0.59 C ATOM 534 SD MET A 36 10.729 0.782 -2.266 1.00 1.21 S ATOM 535 CE MET A 36 10.308 -0.779 -1.497 1.00 0.72 C ATOM 0 H MET A 36 13.836 0.355 -5.180 1.00 0.35 H new ATOM 0 HA MET A 36 12.922 -2.265 -4.456 1.00 0.43 H new ATOM 0 HB2 MET A 36 11.251 0.121 -5.306 1.00 0.56 H new ATOM 0 HB3 MET A 36 10.793 -1.187 -4.233 1.00 0.56 H new ATOM 0 HG2 MET A 36 12.798 -0.313 -2.756 1.00 0.59 H new ATOM 0 HG3 MET A 36 12.611 1.156 -3.693 1.00 0.59 H new ATOM 0 HE1 MET A 36 9.239 -0.803 -1.284 1.00 0.72 H new ATOM 0 HE2 MET A 36 10.563 -1.597 -2.171 1.00 0.72 H new ATOM 0 HE3 MET A 36 10.866 -0.888 -0.567 1.00 0.72 H new ATOM 545 N ARG A 37 12.754 -1.373 -7.564 1.00 0.42 N ATOM 546 CA ARG A 37 12.412 -1.860 -8.897 1.00 0.47 C ATOM 547 C ARG A 37 13.312 -3.032 -9.277 1.00 0.43 C ATOM 548 O ARG A 37 12.849 -4.024 -9.841 1.00 0.47 O ATOM 549 CB ARG A 37 12.513 -0.744 -9.943 1.00 0.55 C ATOM 550 CG ARG A 37 13.926 -0.244 -10.184 1.00 0.95 C ATOM 551 CD ARG A 37 13.998 0.665 -11.400 1.00 1.20 C ATOM 552 NE ARG A 37 15.361 1.124 -11.654 1.00 1.99 N ATOM 553 CZ ARG A 37 15.739 1.737 -12.772 1.00 2.52 C ATOM 554 NH1 ARG A 37 14.862 1.958 -13.743 1.00 2.46 N ATOM 555 NH2 ARG A 37 16.997 2.129 -12.921 1.00 3.51 N ATOM 0 H ARG A 37 13.343 -0.540 -7.551 1.00 0.42 H new ATOM 0 HA ARG A 37 11.377 -2.201 -8.876 1.00 0.47 H new ATOM 0 HB2 ARG A 37 12.102 -1.106 -10.885 1.00 0.55 H new ATOM 0 HB3 ARG A 37 11.892 0.094 -9.625 1.00 0.55 H new ATOM 0 HG2 ARG A 37 14.277 0.296 -9.304 1.00 0.95 H new ATOM 0 HG3 ARG A 37 14.594 -1.094 -10.324 1.00 0.95 H new ATOM 0 HD2 ARG A 37 13.625 0.132 -12.275 1.00 1.20 H new ATOM 0 HD3 ARG A 37 13.347 1.526 -11.249 1.00 1.20 H new ATOM 0 HE ARG A 37 16.064 0.965 -10.932 1.00 1.99 H new ATOM 0 HH11 ARG A 37 13.893 1.657 -13.634 1.00 2.46 H new ATOM 0 HH12 ARG A 37 15.156 2.429 -14.599 1.00 2.46 H new ATOM 0 HH21 ARG A 37 17.675 1.960 -12.178 1.00 3.51 H new ATOM 0 HH22 ARG A 37 17.287 2.599 -13.779 1.00 3.51 H new ATOM 569 N THR A 38 14.603 -2.913 -8.967 1.00 0.39 N ATOM 570 CA THR A 38 15.557 -3.977 -9.260 1.00 0.39 C ATOM 571 C THR A 38 15.296 -5.188 -8.365 1.00 0.36 C ATOM 572 O THR A 38 15.818 -6.277 -8.603 1.00 0.39 O ATOM 573 CB THR A 38 17.018 -3.511 -9.091 1.00 0.40 C ATOM 574 OG1 THR A 38 17.905 -4.631 -9.195 1.00 0.46 O ATOM 575 CG2 THR A 38 17.223 -2.817 -7.756 1.00 0.32 C ATOM 0 H THR A 38 15.009 -2.094 -8.515 1.00 0.39 H new ATOM 0 HA THR A 38 15.415 -4.256 -10.304 1.00 0.39 H new ATOM 0 HB THR A 38 17.238 -2.797 -9.885 1.00 0.40 H new ATOM 0 HG1 THR A 38 17.395 -5.462 -9.097 1.00 0.46 H new ATOM 0 HG21 THR A 38 18.262 -2.500 -7.666 1.00 0.32 H new ATOM 0 HG22 THR A 38 16.571 -1.945 -7.695 1.00 0.32 H new ATOM 0 HG23 THR A 38 16.983 -3.507 -6.947 1.00 0.32 H new ATOM 583 N LEU A 39 14.480 -4.980 -7.334 1.00 0.33 N ATOM 584 CA LEU A 39 14.124 -6.040 -6.395 1.00 0.34 C ATOM 585 C LEU A 39 12.640 -6.382 -6.527 1.00 0.40 C ATOM 586 O LEU A 39 11.842 -5.562 -6.983 1.00 0.43 O ATOM 587 CB LEU A 39 14.441 -5.613 -4.957 1.00 0.32 C ATOM 588 CG LEU A 39 15.855 -5.945 -4.459 1.00 0.44 C ATOM 589 CD1 LEU A 39 16.914 -5.241 -5.292 1.00 1.05 C ATOM 590 CD2 LEU A 39 16.002 -5.567 -2.996 1.00 1.15 C ATOM 0 H LEU A 39 14.050 -4.079 -7.127 1.00 0.33 H new ATOM 0 HA LEU A 39 14.714 -6.925 -6.631 1.00 0.34 H new ATOM 0 HB2 LEU A 39 14.291 -4.536 -4.876 1.00 0.32 H new ATOM 0 HB3 LEU A 39 13.721 -6.086 -4.290 1.00 0.32 H new ATOM 0 HG LEU A 39 16.003 -7.020 -4.565 1.00 0.44 H new ATOM 0 HD11 LEU A 39 17.904 -5.497 -4.914 1.00 1.05 H new ATOM 0 HD12 LEU A 39 16.830 -5.558 -6.331 1.00 1.05 H new ATOM 0 HD13 LEU A 39 16.769 -4.163 -5.229 1.00 1.05 H new ATOM 0 HD21 LEU A 39 17.010 -5.808 -2.657 1.00 1.15 H new ATOM 0 HD22 LEU A 39 15.825 -4.498 -2.877 1.00 1.15 H new ATOM 0 HD23 LEU A 39 15.277 -6.123 -2.402 1.00 1.15 H new ATOM 602 N GLY A 40 12.282 -7.602 -6.129 1.00 0.45 N ATOM 603 CA GLY A 40 10.902 -8.060 -6.228 1.00 0.52 C ATOM 604 C GLY A 40 9.902 -7.208 -5.461 1.00 0.49 C ATOM 605 O GLY A 40 8.704 -7.495 -5.478 1.00 0.64 O ATOM 0 H GLY A 40 12.928 -8.287 -5.737 1.00 0.45 H new ATOM 0 HA2 GLY A 40 10.613 -8.081 -7.279 1.00 0.52 H new ATOM 0 HA3 GLY A 40 10.845 -9.085 -5.861 1.00 0.52 H new ATOM 609 N GLN A 41 10.380 -6.169 -4.786 1.00 0.46 N ATOM 610 CA GLN A 41 9.501 -5.287 -4.022 1.00 0.44 C ATOM 611 C GLN A 41 8.605 -4.475 -4.953 1.00 0.48 C ATOM 612 O GLN A 41 9.079 -3.883 -5.923 1.00 1.01 O ATOM 613 CB GLN A 41 10.328 -4.353 -3.135 1.00 0.48 C ATOM 614 CG GLN A 41 10.911 -5.029 -1.903 1.00 0.54 C ATOM 615 CD GLN A 41 11.133 -6.519 -2.088 1.00 1.55 C ATOM 616 OE1 GLN A 41 12.282 -6.883 -2.643 1.00 2.37 O flip ATOM 617 NE2 GLN A 41 10.275 -7.333 -1.744 1.00 2.20 N flip ATOM 0 H GLN A 41 11.367 -5.916 -4.751 1.00 0.46 H new ATOM 0 HA GLN A 41 8.865 -5.904 -3.387 1.00 0.44 H new ATOM 0 HB2 GLN A 41 11.142 -3.933 -3.726 1.00 0.48 H new ATOM 0 HB3 GLN A 41 9.701 -3.520 -2.818 1.00 0.48 H new ATOM 0 HG2 GLN A 41 11.860 -4.555 -1.651 1.00 0.54 H new ATOM 0 HG3 GLN A 41 10.241 -4.870 -1.058 1.00 0.54 H new ATOM 0 HE21 GLN A 41 9.405 -7.009 -1.321 1.00 2.20 H new ATOM 0 HE22 GLN A 41 10.434 -8.331 -1.882 1.00 2.20 H new ATOM 626 N ASN A 42 7.308 -4.450 -4.653 1.00 0.52 N ATOM 627 CA ASN A 42 6.349 -3.717 -5.473 1.00 0.53 C ATOM 628 C ASN A 42 5.549 -2.711 -4.644 1.00 0.51 C ATOM 629 O ASN A 42 4.345 -2.883 -4.452 1.00 0.59 O ATOM 630 CB ASN A 42 5.388 -4.695 -6.154 1.00 0.66 C ATOM 631 CG ASN A 42 6.106 -5.829 -6.858 1.00 1.27 C ATOM 632 OD1 ASN A 42 7.206 -5.652 -7.384 1.00 2.15 O ATOM 633 ND2 ASN A 42 5.488 -7.006 -6.867 1.00 1.71 N ATOM 0 H ASN A 42 6.899 -4.928 -3.850 1.00 0.52 H new ATOM 0 HA ASN A 42 6.912 -3.165 -6.225 1.00 0.53 H new ATOM 0 HB2 ASN A 42 4.709 -5.108 -5.408 1.00 0.66 H new ATOM 0 HB3 ASN A 42 4.777 -4.154 -6.876 1.00 0.66 H new ATOM 0 HD21 ASN A 42 5.924 -7.808 -7.322 1.00 1.71 H new ATOM 0 HD22 ASN A 42 4.577 -7.107 -6.419 1.00 1.71 H new ATOM 640 N PRO A 43 6.198 -1.643 -4.137 1.00 0.47 N ATOM 641 CA PRO A 43 5.513 -0.618 -3.342 1.00 0.54 C ATOM 642 C PRO A 43 4.543 0.190 -4.191 1.00 0.54 C ATOM 643 O PRO A 43 4.810 0.458 -5.363 1.00 0.64 O ATOM 644 CB PRO A 43 6.655 0.275 -2.852 1.00 0.53 C ATOM 645 CG PRO A 43 7.719 0.100 -3.876 1.00 0.46 C ATOM 646 CD PRO A 43 7.635 -1.343 -4.291 1.00 0.45 C ATOM 0 HA PRO A 43 4.918 -1.048 -2.536 1.00 0.54 H new ATOM 0 HB2 PRO A 43 6.342 1.316 -2.777 1.00 0.53 H new ATOM 0 HB3 PRO A 43 7.000 -0.027 -1.863 1.00 0.53 H new ATOM 0 HG2 PRO A 43 7.560 0.764 -4.726 1.00 0.46 H new ATOM 0 HG3 PRO A 43 8.702 0.335 -3.467 1.00 0.46 H new ATOM 0 HD2 PRO A 43 7.971 -1.489 -5.318 1.00 0.45 H new ATOM 0 HD3 PRO A 43 8.252 -1.982 -3.659 1.00 0.45 H new ATOM 654 N THR A 44 3.414 0.570 -3.604 1.00 0.59 N ATOM 655 CA THR A 44 2.418 1.353 -4.321 1.00 0.65 C ATOM 656 C THR A 44 3.039 2.628 -4.872 1.00 0.57 C ATOM 657 O THR A 44 3.791 3.305 -4.174 1.00 0.51 O ATOM 658 CB THR A 44 1.226 1.719 -3.419 1.00 0.78 C ATOM 659 OG1 THR A 44 0.682 0.538 -2.818 1.00 1.05 O ATOM 660 CG2 THR A 44 0.142 2.434 -4.212 1.00 1.02 C ATOM 0 H THR A 44 3.167 0.350 -2.639 1.00 0.59 H new ATOM 0 HA THR A 44 2.054 0.736 -5.143 1.00 0.65 H new ATOM 0 HB THR A 44 1.586 2.390 -2.639 1.00 0.78 H new ATOM 0 HG1 THR A 44 -0.075 0.781 -2.245 1.00 1.05 H new ATOM 0 HG21 THR A 44 -0.689 2.681 -3.551 1.00 1.02 H new ATOM 0 HG22 THR A 44 0.549 3.349 -4.641 1.00 1.02 H new ATOM 0 HG23 THR A 44 -0.212 1.784 -5.012 1.00 1.02 H new ATOM 668 N GLU A 45 2.734 2.947 -6.126 1.00 0.61 N ATOM 669 CA GLU A 45 3.277 4.143 -6.767 1.00 0.61 C ATOM 670 C GLU A 45 3.225 5.339 -5.823 1.00 0.60 C ATOM 671 O GLU A 45 4.233 6.015 -5.604 1.00 0.56 O ATOM 672 CB GLU A 45 2.514 4.459 -8.055 1.00 0.75 C ATOM 673 CG GLU A 45 2.823 3.505 -9.198 1.00 1.33 C ATOM 674 CD GLU A 45 2.438 2.072 -8.887 1.00 2.16 C ATOM 675 OE1 GLU A 45 1.260 1.715 -9.099 1.00 2.69 O ATOM 676 OE2 GLU A 45 3.314 1.307 -8.432 1.00 2.64 O ATOM 0 H GLU A 45 2.114 2.395 -6.719 1.00 0.61 H new ATOM 0 HA GLU A 45 4.319 3.944 -7.016 1.00 0.61 H new ATOM 0 HB2 GLU A 45 1.444 4.431 -7.849 1.00 0.75 H new ATOM 0 HB3 GLU A 45 2.752 5.476 -8.368 1.00 0.75 H new ATOM 0 HG2 GLU A 45 2.293 3.833 -10.092 1.00 1.33 H new ATOM 0 HG3 GLU A 45 3.888 3.549 -9.424 1.00 1.33 H new ATOM 683 N ALA A 46 2.048 5.588 -5.261 1.00 0.66 N ATOM 684 CA ALA A 46 1.865 6.697 -4.335 1.00 0.70 C ATOM 685 C ALA A 46 2.704 6.506 -3.079 1.00 0.64 C ATOM 686 O ALA A 46 3.249 7.464 -2.539 1.00 0.66 O ATOM 687 CB ALA A 46 0.400 6.839 -3.966 1.00 0.83 C ATOM 0 H ALA A 46 1.207 5.037 -5.431 1.00 0.66 H new ATOM 0 HA ALA A 46 2.197 7.609 -4.832 1.00 0.70 H new ATOM 0 HB1 ALA A 46 0.278 7.672 -3.273 1.00 0.83 H new ATOM 0 HB2 ALA A 46 -0.185 7.027 -4.866 1.00 0.83 H new ATOM 0 HB3 ALA A 46 0.053 5.920 -3.493 1.00 0.83 H new ATOM 693 N GLU A 47 2.802 5.263 -2.618 1.00 0.62 N ATOM 694 CA GLU A 47 3.573 4.946 -1.420 1.00 0.62 C ATOM 695 C GLU A 47 5.039 5.338 -1.586 1.00 0.50 C ATOM 696 O GLU A 47 5.606 6.020 -0.735 1.00 0.48 O ATOM 697 CB GLU A 47 3.464 3.454 -1.100 1.00 0.69 C ATOM 698 CG GLU A 47 4.256 3.030 0.126 1.00 0.75 C ATOM 699 CD GLU A 47 4.146 1.544 0.405 1.00 1.31 C ATOM 700 OE1 GLU A 47 4.947 0.771 -0.164 1.00 2.23 O ATOM 701 OE2 GLU A 47 3.257 1.151 1.190 1.00 1.34 O ATOM 0 H GLU A 47 2.356 4.457 -3.057 1.00 0.62 H new ATOM 0 HA GLU A 47 3.159 5.522 -0.593 1.00 0.62 H new ATOM 0 HB2 GLU A 47 2.415 3.200 -0.949 1.00 0.69 H new ATOM 0 HB3 GLU A 47 3.810 2.881 -1.960 1.00 0.69 H new ATOM 0 HG2 GLU A 47 5.304 3.293 -0.014 1.00 0.75 H new ATOM 0 HG3 GLU A 47 3.901 3.586 0.994 1.00 0.75 H new ATOM 708 N LEU A 48 5.648 4.896 -2.684 1.00 0.45 N ATOM 709 CA LEU A 48 7.048 5.202 -2.961 1.00 0.39 C ATOM 710 C LEU A 48 7.293 6.710 -2.972 1.00 0.35 C ATOM 711 O LEU A 48 8.246 7.197 -2.363 1.00 0.34 O ATOM 712 CB LEU A 48 7.464 4.602 -4.306 1.00 0.40 C ATOM 713 CG LEU A 48 8.955 4.707 -4.631 1.00 0.66 C ATOM 714 CD1 LEU A 48 9.764 3.790 -3.726 1.00 1.42 C ATOM 715 CD2 LEU A 48 9.203 4.374 -6.095 1.00 1.39 C ATOM 0 H LEU A 48 5.193 4.325 -3.396 1.00 0.45 H new ATOM 0 HA LEU A 48 7.650 4.762 -2.166 1.00 0.39 H new ATOM 0 HB2 LEU A 48 7.178 3.550 -4.321 1.00 0.40 H new ATOM 0 HB3 LEU A 48 6.900 5.097 -5.097 1.00 0.40 H new ATOM 0 HG LEU A 48 9.278 5.733 -4.453 1.00 0.66 H new ATOM 0 HD11 LEU A 48 10.822 3.878 -3.971 1.00 1.42 H new ATOM 0 HD12 LEU A 48 9.608 4.075 -2.686 1.00 1.42 H new ATOM 0 HD13 LEU A 48 9.442 2.759 -3.872 1.00 1.42 H new ATOM 0 HD21 LEU A 48 10.269 4.453 -6.311 1.00 1.39 H new ATOM 0 HD22 LEU A 48 8.866 3.358 -6.299 1.00 1.39 H new ATOM 0 HD23 LEU A 48 8.652 5.072 -6.725 1.00 1.39 H new ATOM 727 N GLN A 49 6.427 7.439 -3.667 1.00 0.45 N ATOM 728 CA GLN A 49 6.546 8.891 -3.770 1.00 0.52 C ATOM 729 C GLN A 49 6.259 9.572 -2.434 1.00 0.54 C ATOM 730 O GLN A 49 6.827 10.620 -2.126 1.00 0.58 O ATOM 731 CB GLN A 49 5.578 9.420 -4.829 1.00 0.67 C ATOM 732 CG GLN A 49 5.882 8.931 -6.236 1.00 0.70 C ATOM 733 CD GLN A 49 7.219 9.430 -6.751 1.00 0.77 C ATOM 734 OE1 GLN A 49 7.679 10.507 -6.374 1.00 1.21 O ATOM 735 NE2 GLN A 49 7.848 8.647 -7.619 1.00 1.02 N ATOM 0 H GLN A 49 5.631 7.047 -4.170 1.00 0.45 H new ATOM 0 HA GLN A 49 7.572 9.121 -4.058 1.00 0.52 H new ATOM 0 HB2 GLN A 49 4.564 9.123 -4.562 1.00 0.67 H new ATOM 0 HB3 GLN A 49 5.604 10.510 -4.819 1.00 0.67 H new ATOM 0 HG2 GLN A 49 5.876 7.841 -6.247 1.00 0.70 H new ATOM 0 HG3 GLN A 49 5.091 9.261 -6.910 1.00 0.70 H new ATOM 0 HE21 GLN A 49 7.429 7.762 -7.904 1.00 1.02 H new ATOM 0 HE22 GLN A 49 8.750 8.931 -8.001 1.00 1.02 H new ATOM 744 N ASP A 50 5.373 8.971 -1.649 1.00 0.59 N ATOM 745 CA ASP A 50 4.993 9.523 -0.352 1.00 0.68 C ATOM 746 C ASP A 50 6.102 9.348 0.677 1.00 0.59 C ATOM 747 O ASP A 50 6.333 10.227 1.508 1.00 0.57 O ATOM 748 CB ASP A 50 3.705 8.866 0.152 1.00 0.88 C ATOM 749 CG ASP A 50 2.460 9.521 -0.411 1.00 1.05 C ATOM 750 OD1 ASP A 50 2.313 10.751 -0.259 1.00 1.09 O ATOM 751 OD2 ASP A 50 1.633 8.803 -1.012 1.00 1.19 O ATOM 0 H ASP A 50 4.902 8.098 -1.888 1.00 0.59 H new ATOM 0 HA ASP A 50 4.822 10.591 -0.487 1.00 0.68 H new ATOM 0 HB2 ASP A 50 3.710 7.810 -0.118 1.00 0.88 H new ATOM 0 HB3 ASP A 50 3.677 8.916 1.240 1.00 0.88 H new ATOM 756 N LEU A 51 6.789 8.211 0.620 1.00 0.60 N ATOM 757 CA LEU A 51 7.866 7.929 1.555 1.00 0.64 C ATOM 758 C LEU A 51 9.047 8.864 1.314 1.00 0.54 C ATOM 759 O LEU A 51 9.629 9.405 2.260 1.00 0.64 O ATOM 760 CB LEU A 51 8.305 6.460 1.436 1.00 0.76 C ATOM 761 CG LEU A 51 9.454 6.182 0.460 1.00 0.40 C ATOM 762 CD1 LEU A 51 10.796 6.327 1.158 1.00 0.86 C ATOM 763 CD2 LEU A 51 9.325 4.799 -0.145 1.00 0.84 C ATOM 0 H LEU A 51 6.617 7.473 -0.063 1.00 0.60 H new ATOM 0 HA LEU A 51 7.499 8.100 2.567 1.00 0.64 H new ATOM 0 HB2 LEU A 51 8.600 6.108 2.424 1.00 0.76 H new ATOM 0 HB3 LEU A 51 7.443 5.867 1.131 1.00 0.76 H new ATOM 0 HG LEU A 51 9.398 6.916 -0.344 1.00 0.40 H new ATOM 0 HD11 LEU A 51 11.599 6.126 0.449 1.00 0.86 H new ATOM 0 HD12 LEU A 51 10.898 7.342 1.543 1.00 0.86 H new ATOM 0 HD13 LEU A 51 10.855 5.618 1.984 1.00 0.86 H new ATOM 0 HD21 LEU A 51 10.151 4.625 -0.834 1.00 0.84 H new ATOM 0 HD22 LEU A 51 9.350 4.051 0.648 1.00 0.84 H new ATOM 0 HD23 LEU A 51 8.381 4.725 -0.685 1.00 0.84 H new ATOM 775 N ILE A 52 9.390 9.065 0.043 1.00 0.44 N ATOM 776 CA ILE A 52 10.507 9.925 -0.302 1.00 0.48 C ATOM 777 C ILE A 52 10.203 11.361 0.069 1.00 0.53 C ATOM 778 O ILE A 52 11.070 12.076 0.548 1.00 0.68 O ATOM 779 CB ILE A 52 10.849 9.881 -1.801 1.00 0.48 C ATOM 780 CG1 ILE A 52 11.152 8.446 -2.243 1.00 0.48 C ATOM 781 CG2 ILE A 52 12.025 10.803 -2.093 1.00 0.67 C ATOM 782 CD1 ILE A 52 11.418 8.308 -3.728 1.00 0.54 C ATOM 0 H ILE A 52 8.912 8.646 -0.755 1.00 0.44 H new ATOM 0 HA ILE A 52 11.362 9.551 0.260 1.00 0.48 H new ATOM 0 HB ILE A 52 9.987 10.230 -2.370 1.00 0.48 H new ATOM 0 HG12 ILE A 52 12.019 8.081 -1.692 1.00 0.48 H new ATOM 0 HG13 ILE A 52 10.311 7.807 -1.973 1.00 0.48 H new ATOM 0 HG21 ILE A 52 12.261 10.766 -3.157 1.00 0.67 H new ATOM 0 HG22 ILE A 52 11.765 11.824 -1.814 1.00 0.67 H new ATOM 0 HG23 ILE A 52 12.892 10.480 -1.518 1.00 0.67 H new ATOM 0 HD11 ILE A 52 11.625 7.264 -3.965 1.00 0.54 H new ATOM 0 HD12 ILE A 52 10.543 8.641 -4.287 1.00 0.54 H new ATOM 0 HD13 ILE A 52 12.278 8.919 -4.002 1.00 0.54 H new ATOM 794 N ALA A 53 8.965 11.774 -0.169 1.00 0.50 N ATOM 795 CA ALA A 53 8.536 13.130 0.134 1.00 0.60 C ATOM 796 C ALA A 53 8.538 13.385 1.634 1.00 0.64 C ATOM 797 O ALA A 53 8.776 14.508 2.082 1.00 0.73 O ATOM 798 CB ALA A 53 7.159 13.385 -0.454 1.00 0.67 C ATOM 0 H ALA A 53 8.238 11.184 -0.573 1.00 0.50 H new ATOM 0 HA ALA A 53 9.245 13.823 -0.319 1.00 0.60 H new ATOM 0 HB1 ALA A 53 6.847 14.403 -0.221 1.00 0.67 H new ATOM 0 HB2 ALA A 53 7.195 13.255 -1.536 1.00 0.67 H new ATOM 0 HB3 ALA A 53 6.445 12.680 -0.028 1.00 0.67 H new ATOM 804 N GLU A 54 8.271 12.340 2.408 1.00 0.63 N ATOM 805 CA GLU A 54 8.254 12.456 3.860 1.00 0.72 C ATOM 806 C GLU A 54 9.635 12.850 4.370 1.00 0.66 C ATOM 807 O GLU A 54 9.787 13.842 5.084 1.00 0.72 O ATOM 808 CB GLU A 54 7.811 11.132 4.494 1.00 0.81 C ATOM 809 CG GLU A 54 7.912 11.114 6.011 1.00 1.18 C ATOM 810 CD GLU A 54 7.073 12.196 6.666 1.00 1.71 C ATOM 811 OE1 GLU A 54 5.887 11.936 6.953 1.00 1.82 O ATOM 812 OE2 GLU A 54 7.605 13.304 6.890 1.00 2.45 O ATOM 0 H GLU A 54 8.064 11.406 2.055 1.00 0.63 H new ATOM 0 HA GLU A 54 7.542 13.231 4.142 1.00 0.72 H new ATOM 0 HB2 GLU A 54 6.780 10.929 4.205 1.00 0.81 H new ATOM 0 HB3 GLU A 54 8.420 10.324 4.089 1.00 0.81 H new ATOM 0 HG2 GLU A 54 7.594 10.139 6.381 1.00 1.18 H new ATOM 0 HG3 GLU A 54 8.954 11.241 6.303 1.00 1.18 H new ATOM 819 N ALA A 55 10.639 12.065 3.996 1.00 0.58 N ATOM 820 CA ALA A 55 12.016 12.329 4.405 1.00 0.56 C ATOM 821 C ALA A 55 12.659 13.401 3.528 1.00 0.58 C ATOM 822 O ALA A 55 13.718 13.935 3.860 1.00 0.62 O ATOM 823 CB ALA A 55 12.832 11.047 4.355 1.00 0.56 C ATOM 0 H ALA A 55 10.526 11.239 3.409 1.00 0.58 H new ATOM 0 HA ALA A 55 11.999 12.701 5.430 1.00 0.56 H new ATOM 0 HB1 ALA A 55 13.857 11.256 4.662 1.00 0.56 H new ATOM 0 HB2 ALA A 55 12.394 10.311 5.029 1.00 0.56 H new ATOM 0 HB3 ALA A 55 12.831 10.654 3.338 1.00 0.56 H new ATOM 829 N GLU A 56 12.011 13.702 2.406 1.00 0.59 N ATOM 830 CA GLU A 56 12.512 14.687 1.450 1.00 0.65 C ATOM 831 C GLU A 56 12.946 15.981 2.135 1.00 0.72 C ATOM 832 O GLU A 56 14.053 16.470 1.912 1.00 0.77 O ATOM 833 CB GLU A 56 11.444 15.002 0.402 1.00 0.72 C ATOM 834 CG GLU A 56 11.879 16.036 -0.624 1.00 0.82 C ATOM 835 CD GLU A 56 10.845 16.245 -1.713 1.00 1.52 C ATOM 836 OE1 GLU A 56 9.953 17.098 -1.528 1.00 1.79 O ATOM 837 OE2 GLU A 56 10.932 15.557 -2.753 1.00 2.45 O ATOM 0 H GLU A 56 11.127 13.272 2.134 1.00 0.59 H new ATOM 0 HA GLU A 56 13.386 14.249 0.968 1.00 0.65 H new ATOM 0 HB2 GLU A 56 11.173 14.082 -0.115 1.00 0.72 H new ATOM 0 HB3 GLU A 56 10.547 15.360 0.907 1.00 0.72 H new ATOM 0 HG2 GLU A 56 12.069 16.984 -0.121 1.00 0.82 H new ATOM 0 HG3 GLU A 56 12.819 15.721 -1.076 1.00 0.82 H new ATOM 844 N ASN A 57 12.065 16.528 2.966 1.00 0.77 N ATOM 845 CA ASN A 57 12.348 17.779 3.666 1.00 0.88 C ATOM 846 C ASN A 57 13.007 17.532 5.022 1.00 0.82 C ATOM 847 O ASN A 57 13.840 18.323 5.466 1.00 1.21 O ATOM 848 CB ASN A 57 11.061 18.587 3.852 1.00 1.17 C ATOM 849 CG ASN A 57 10.463 19.050 2.535 1.00 1.21 C ATOM 850 OD1 ASN A 57 10.396 18.153 1.556 1.00 1.80 O flip ATOM 851 ND2 ASN A 57 10.047 20.202 2.404 1.00 1.19 N flip ATOM 0 H ASN A 57 11.150 16.127 3.172 1.00 0.77 H new ATOM 0 HA ASN A 57 13.047 18.347 3.052 1.00 0.88 H new ATOM 0 HB2 ASN A 57 10.329 17.979 4.385 1.00 1.17 H new ATOM 0 HB3 ASN A 57 11.269 19.456 4.477 1.00 1.17 H new ATOM 0 HD21 ASN A 57 10.117 20.861 3.180 1.00 1.19 H new ATOM 0 HD22 ASN A 57 9.633 20.497 1.520 1.00 1.19 H new ATOM 858 N ASN A 58 12.630 16.437 5.676 1.00 1.05 N ATOM 859 CA ASN A 58 13.185 16.096 6.985 1.00 1.01 C ATOM 860 C ASN A 58 14.708 16.062 6.933 1.00 0.95 C ATOM 861 O ASN A 58 15.382 16.797 7.656 1.00 1.57 O ATOM 862 CB ASN A 58 12.648 14.739 7.448 1.00 1.04 C ATOM 863 CG ASN A 58 12.676 14.579 8.958 1.00 1.42 C ATOM 864 OD1 ASN A 58 13.643 15.216 9.612 1.00 1.82 O flip ATOM 865 ND2 ASN A 58 11.834 13.888 9.530 1.00 1.89 N flip ATOM 0 H ASN A 58 11.943 15.771 5.323 1.00 1.05 H new ATOM 0 HA ASN A 58 12.880 16.863 7.697 1.00 1.01 H new ATOM 0 HB2 ASN A 58 11.624 14.618 7.093 1.00 1.04 H new ATOM 0 HB3 ASN A 58 13.239 13.945 6.992 1.00 1.04 H new ATOM 0 HD21 ASN A 58 11.109 13.416 8.990 1.00 1.89 H new ATOM 0 HD22 ASN A 58 11.861 13.787 10.545 1.00 1.89 H new ATOM 872 N ASN A 59 15.237 15.203 6.073 1.00 0.75 N ATOM 873 CA ASN A 59 16.679 15.063 5.907 1.00 0.73 C ATOM 874 C ASN A 59 17.048 15.178 4.432 1.00 0.84 C ATOM 875 O ASN A 59 16.213 15.550 3.606 1.00 1.76 O ATOM 876 CB ASN A 59 17.152 13.715 6.468 1.00 0.76 C ATOM 877 CG ASN A 59 16.322 12.549 5.962 1.00 0.95 C ATOM 878 OD1 ASN A 59 15.094 12.617 5.925 1.00 1.75 O ATOM 879 ND2 ASN A 59 16.988 11.471 5.556 1.00 0.92 N ATOM 0 H ASN A 59 14.685 14.588 5.475 1.00 0.75 H new ATOM 0 HA ASN A 59 17.175 15.862 6.458 1.00 0.73 H new ATOM 0 HB2 ASN A 59 18.196 13.558 6.196 1.00 0.76 H new ATOM 0 HB3 ASN A 59 17.107 13.743 7.557 1.00 0.76 H new ATOM 0 HD21 ASN A 59 16.480 10.662 5.198 1.00 0.92 H new ATOM 0 HD22 ASN A 59 18.007 11.453 5.603 1.00 0.92 H new ATOM 886 N ASN A 60 18.295 14.862 4.100 1.00 0.57 N ATOM 887 CA ASN A 60 18.748 14.922 2.716 1.00 0.52 C ATOM 888 C ASN A 60 18.261 13.701 1.952 1.00 0.42 C ATOM 889 O ASN A 60 18.880 13.278 0.975 1.00 0.53 O ATOM 890 CB ASN A 60 20.273 14.991 2.649 1.00 0.58 C ATOM 891 CG ASN A 60 20.939 13.729 3.166 1.00 0.93 C ATOM 892 OD1 ASN A 60 21.178 12.772 2.272 1.00 1.99 O flip ATOM 893 ND2 ASN A 60 21.237 13.615 4.355 1.00 0.55 N flip ATOM 0 H ASN A 60 19.007 14.563 4.767 1.00 0.57 H new ATOM 0 HA ASN A 60 18.335 15.822 2.262 1.00 0.52 H new ATOM 0 HB2 ASN A 60 20.580 15.163 1.617 1.00 0.58 H new ATOM 0 HB3 ASN A 60 20.620 15.845 3.231 1.00 0.58 H new ATOM 0 HD21 ASN A 60 21.036 14.374 5.006 1.00 0.55 H new ATOM 0 HD22 ASN A 60 21.685 12.762 4.689 1.00 0.55 H new ATOM 900 N GLY A 61 17.145 13.142 2.400 1.00 0.37 N ATOM 901 CA GLY A 61 16.613 11.961 1.765 1.00 0.33 C ATOM 902 C GLY A 61 17.528 10.778 1.976 1.00 0.27 C ATOM 903 O GLY A 61 18.195 10.340 1.052 1.00 0.33 O ATOM 0 H GLY A 61 16.602 13.488 3.191 1.00 0.37 H new ATOM 0 HA2 GLY A 61 15.626 11.739 2.170 1.00 0.33 H new ATOM 0 HA3 GLY A 61 16.487 12.143 0.698 1.00 0.33 H new ATOM 907 N GLN A 62 17.583 10.291 3.210 1.00 0.29 N ATOM 908 CA GLN A 62 18.427 9.151 3.563 1.00 0.25 C ATOM 909 C GLN A 62 17.590 7.990 4.103 1.00 0.29 C ATOM 910 O GLN A 62 16.486 8.189 4.611 1.00 0.42 O ATOM 911 CB GLN A 62 19.482 9.568 4.592 1.00 0.30 C ATOM 912 CG GLN A 62 20.657 10.309 3.983 1.00 0.31 C ATOM 913 CD GLN A 62 21.570 9.391 3.192 1.00 0.32 C ATOM 914 OE1 GLN A 62 21.257 9.201 1.917 1.00 0.38 O flip ATOM 915 NE2 GLN A 62 22.543 8.856 3.725 1.00 0.54 N flip ATOM 0 H GLN A 62 17.048 10.671 3.991 1.00 0.29 H new ATOM 0 HA GLN A 62 18.931 8.812 2.658 1.00 0.25 H new ATOM 0 HB2 GLN A 62 19.014 10.201 5.345 1.00 0.30 H new ATOM 0 HB3 GLN A 62 19.849 8.679 5.106 1.00 0.30 H new ATOM 0 HG2 GLN A 62 20.286 11.099 3.330 1.00 0.31 H new ATOM 0 HG3 GLN A 62 21.229 10.792 4.775 1.00 0.31 H new ATOM 0 HE21 GLN A 62 22.746 9.031 4.709 1.00 0.54 H new ATOM 0 HE22 GLN A 62 23.146 8.238 3.182 1.00 0.54 H new ATOM 924 N LEU A 63 18.129 6.778 3.988 1.00 0.28 N ATOM 925 CA LEU A 63 17.439 5.574 4.440 1.00 0.37 C ATOM 926 C LEU A 63 18.369 4.686 5.258 1.00 0.27 C ATOM 927 O LEU A 63 19.581 4.699 5.062 1.00 0.23 O ATOM 928 CB LEU A 63 16.926 4.793 3.231 1.00 0.57 C ATOM 929 CG LEU A 63 15.678 3.953 3.481 1.00 0.90 C ATOM 930 CD1 LEU A 63 14.454 4.849 3.592 1.00 1.58 C ATOM 931 CD2 LEU A 63 15.504 2.930 2.367 1.00 1.61 C ATOM 0 H LEU A 63 19.049 6.604 3.582 1.00 0.28 H new ATOM 0 HA LEU A 63 16.603 5.875 5.071 1.00 0.37 H new ATOM 0 HB2 LEU A 63 16.715 5.498 2.427 1.00 0.57 H new ATOM 0 HB3 LEU A 63 17.722 4.136 2.879 1.00 0.57 H new ATOM 0 HG LEU A 63 15.793 3.417 4.423 1.00 0.90 H new ATOM 0 HD11 LEU A 63 13.570 4.237 3.770 1.00 1.58 H new ATOM 0 HD12 LEU A 63 14.587 5.545 4.420 1.00 1.58 H new ATOM 0 HD13 LEU A 63 14.327 5.408 2.665 1.00 1.58 H new ATOM 0 HD21 LEU A 63 14.610 2.336 2.555 1.00 1.61 H new ATOM 0 HD22 LEU A 63 15.402 3.446 1.412 1.00 1.61 H new ATOM 0 HD23 LEU A 63 16.375 2.275 2.335 1.00 1.61 H new ATOM 943 N ASN A 64 17.790 3.890 6.149 1.00 0.31 N ATOM 944 CA ASN A 64 18.568 2.992 6.996 1.00 0.28 C ATOM 945 C ASN A 64 18.283 1.543 6.631 1.00 0.25 C ATOM 946 O ASN A 64 17.201 1.218 6.140 1.00 0.27 O ATOM 947 CB ASN A 64 18.237 3.218 8.474 1.00 0.41 C ATOM 948 CG ASN A 64 19.122 4.257 9.129 1.00 0.53 C ATOM 949 OD1 ASN A 64 18.734 5.414 9.280 1.00 1.34 O ATOM 950 ND2 ASN A 64 20.317 3.843 9.533 1.00 0.95 N ATOM 0 H ASN A 64 16.783 3.848 6.304 1.00 0.31 H new ATOM 0 HA ASN A 64 19.624 3.206 6.833 1.00 0.28 H new ATOM 0 HB2 ASN A 64 17.196 3.528 8.564 1.00 0.41 H new ATOM 0 HB3 ASN A 64 18.336 2.275 9.011 1.00 0.41 H new ATOM 0 HD21 ASN A 64 20.955 4.495 9.990 1.00 0.95 H new ATOM 0 HD22 ASN A 64 20.597 2.873 9.387 1.00 0.95 H new ATOM 957 N PHE A 65 19.263 0.677 6.867 1.00 0.25 N ATOM 958 CA PHE A 65 19.121 -0.742 6.566 1.00 0.26 C ATOM 959 C PHE A 65 17.808 -1.281 7.118 1.00 0.27 C ATOM 960 O PHE A 65 17.091 -2.013 6.440 1.00 0.31 O ATOM 961 CB PHE A 65 20.295 -1.524 7.159 1.00 0.32 C ATOM 962 CG PHE A 65 20.198 -3.008 6.948 1.00 0.30 C ATOM 963 CD1 PHE A 65 20.471 -3.569 5.709 1.00 0.36 C ATOM 964 CD2 PHE A 65 19.834 -3.844 7.992 1.00 0.39 C ATOM 965 CE1 PHE A 65 20.380 -4.934 5.517 1.00 0.44 C ATOM 966 CE2 PHE A 65 19.742 -5.210 7.805 1.00 0.45 C ATOM 967 CZ PHE A 65 20.015 -5.755 6.567 1.00 0.45 C ATOM 0 H PHE A 65 20.166 0.934 7.267 1.00 0.25 H new ATOM 0 HA PHE A 65 19.118 -0.865 5.483 1.00 0.26 H new ATOM 0 HB2 PHE A 65 21.223 -1.162 6.715 1.00 0.32 H new ATOM 0 HB3 PHE A 65 20.353 -1.321 8.228 1.00 0.32 H new ATOM 0 HD1 PHE A 65 20.758 -2.932 4.886 1.00 0.36 H new ATOM 0 HD2 PHE A 65 19.620 -3.423 8.963 1.00 0.39 H new ATOM 0 HE1 PHE A 65 20.594 -5.359 4.547 1.00 0.44 H new ATOM 0 HE2 PHE A 65 19.457 -5.850 8.627 1.00 0.45 H new ATOM 0 HZ PHE A 65 19.943 -6.822 6.419 1.00 0.45 H new ATOM 977 N THR A 66 17.503 -0.904 8.352 1.00 0.28 N ATOM 978 CA THR A 66 16.279 -1.342 9.013 1.00 0.32 C ATOM 979 C THR A 66 15.034 -0.866 8.270 1.00 0.31 C ATOM 980 O THR A 66 14.029 -1.575 8.216 1.00 0.33 O ATOM 981 CB THR A 66 16.214 -0.825 10.460 1.00 0.38 C ATOM 982 OG1 THR A 66 17.505 -0.922 11.076 1.00 0.56 O ATOM 983 CG2 THR A 66 15.205 -1.617 11.271 1.00 0.52 C ATOM 0 H THR A 66 18.090 -0.292 8.919 1.00 0.28 H new ATOM 0 HA THR A 66 16.301 -2.432 9.012 1.00 0.32 H new ATOM 0 HB THR A 66 15.901 0.219 10.434 1.00 0.38 H new ATOM 0 HG1 THR A 66 17.454 -0.589 11.996 1.00 0.56 H new ATOM 0 HG21 THR A 66 15.176 -1.233 12.291 1.00 0.52 H new ATOM 0 HG22 THR A 66 14.218 -1.520 10.819 1.00 0.52 H new ATOM 0 HG23 THR A 66 15.495 -2.668 11.286 1.00 0.52 H new ATOM 991 N GLU A 67 15.101 0.337 7.706 1.00 0.30 N ATOM 992 CA GLU A 67 13.969 0.900 6.976 1.00 0.33 C ATOM 993 C GLU A 67 13.643 0.067 5.742 1.00 0.30 C ATOM 994 O GLU A 67 12.517 -0.412 5.580 1.00 0.33 O ATOM 995 CB GLU A 67 14.276 2.341 6.564 1.00 0.36 C ATOM 996 CG GLU A 67 14.583 3.258 7.736 1.00 0.42 C ATOM 997 CD GLU A 67 13.411 3.400 8.688 1.00 0.93 C ATOM 998 OE1 GLU A 67 13.269 2.543 9.586 1.00 1.70 O ATOM 999 OE2 GLU A 67 12.635 4.366 8.534 1.00 1.22 O ATOM 0 H GLU A 67 15.924 0.939 7.740 1.00 0.30 H new ATOM 0 HA GLU A 67 13.101 0.889 7.635 1.00 0.33 H new ATOM 0 HB2 GLU A 67 15.126 2.341 5.881 1.00 0.36 H new ATOM 0 HB3 GLU A 67 13.425 2.742 6.014 1.00 0.36 H new ATOM 0 HG2 GLU A 67 15.444 2.870 8.281 1.00 0.42 H new ATOM 0 HG3 GLU A 67 14.862 4.242 7.359 1.00 0.42 H new ATOM 1006 N PHE A 68 14.636 -0.113 4.879 1.00 0.27 N ATOM 1007 CA PHE A 68 14.450 -0.890 3.661 1.00 0.26 C ATOM 1008 C PHE A 68 14.143 -2.345 3.987 1.00 0.27 C ATOM 1009 O PHE A 68 13.207 -2.926 3.440 1.00 0.31 O ATOM 1010 CB PHE A 68 15.689 -0.801 2.770 1.00 0.26 C ATOM 1011 CG PHE A 68 15.496 -1.424 1.415 1.00 0.27 C ATOM 1012 CD1 PHE A 68 14.380 -1.123 0.651 1.00 0.38 C ATOM 1013 CD2 PHE A 68 16.430 -2.313 0.906 1.00 0.35 C ATOM 1014 CE1 PHE A 68 14.197 -1.695 -0.592 1.00 0.44 C ATOM 1015 CE2 PHE A 68 16.251 -2.888 -0.337 1.00 0.37 C ATOM 1016 CZ PHE A 68 15.134 -2.579 -1.087 1.00 0.37 C ATOM 0 H PHE A 68 15.575 0.267 5.000 1.00 0.27 H new ATOM 0 HA PHE A 68 13.601 -0.470 3.122 1.00 0.26 H new ATOM 0 HB2 PHE A 68 15.963 0.247 2.644 1.00 0.26 H new ATOM 0 HB3 PHE A 68 16.524 -1.291 3.271 1.00 0.26 H new ATOM 0 HD1 PHE A 68 13.643 -0.432 1.033 1.00 0.38 H new ATOM 0 HD2 PHE A 68 17.306 -2.558 1.487 1.00 0.35 H new ATOM 0 HE1 PHE A 68 13.322 -1.451 -1.176 1.00 0.44 H new ATOM 0 HE2 PHE A 68 16.985 -3.580 -0.722 1.00 0.37 H new ATOM 0 HZ PHE A 68 14.994 -3.028 -2.059 1.00 0.37 H new ATOM 1026 N CYS A 69 14.933 -2.928 4.884 1.00 0.26 N ATOM 1027 CA CYS A 69 14.740 -4.317 5.281 1.00 0.28 C ATOM 1028 C CYS A 69 13.339 -4.510 5.833 1.00 0.29 C ATOM 1029 O CYS A 69 12.712 -5.547 5.623 1.00 0.34 O ATOM 1030 CB CYS A 69 15.761 -4.721 6.343 1.00 0.27 C ATOM 1031 SG CYS A 69 15.964 -6.505 6.534 1.00 0.49 S ATOM 0 H CYS A 69 15.711 -2.460 5.348 1.00 0.26 H new ATOM 0 HA CYS A 69 14.877 -4.945 4.401 1.00 0.28 H new ATOM 0 HB2 CYS A 69 16.726 -4.282 6.089 1.00 0.27 H new ATOM 0 HB3 CYS A 69 15.460 -4.296 7.301 1.00 0.27 H new ATOM 0 HG CYS A 69 16.494 -6.999 5.455 1.00 0.49 H new ATOM 1037 N GLY A 70 12.862 -3.498 6.551 1.00 0.31 N ATOM 1038 CA GLY A 70 11.536 -3.556 7.124 1.00 0.34 C ATOM 1039 C GLY A 70 10.482 -3.769 6.066 1.00 0.35 C ATOM 1040 O GLY A 70 9.598 -4.617 6.213 1.00 0.35 O ATOM 0 H GLY A 70 13.374 -2.638 6.745 1.00 0.31 H new ATOM 0 HA2 GLY A 70 11.489 -4.365 7.853 1.00 0.34 H new ATOM 0 HA3 GLY A 70 11.331 -2.630 7.662 1.00 0.34 H new ATOM 1044 N ILE A 71 10.582 -3.004 4.989 1.00 0.38 N ATOM 1045 CA ILE A 71 9.641 -3.118 3.894 1.00 0.41 C ATOM 1046 C ILE A 71 9.891 -4.377 3.082 1.00 0.41 C ATOM 1047 O ILE A 71 8.965 -4.950 2.509 1.00 0.45 O ATOM 1048 CB ILE A 71 9.720 -1.909 2.956 1.00 0.43 C ATOM 1049 CG1 ILE A 71 9.409 -0.628 3.730 1.00 0.46 C ATOM 1050 CG2 ILE A 71 8.762 -2.110 1.793 1.00 0.47 C ATOM 1051 CD1 ILE A 71 9.470 0.628 2.888 1.00 0.49 C ATOM 0 H ILE A 71 11.307 -2.299 4.854 1.00 0.38 H new ATOM 0 HA ILE A 71 8.648 -3.163 4.342 1.00 0.41 H new ATOM 0 HB ILE A 71 10.728 -1.814 2.553 1.00 0.43 H new ATOM 0 HG12 ILE A 71 8.414 -0.712 4.168 1.00 0.46 H new ATOM 0 HG13 ILE A 71 10.114 -0.534 4.556 1.00 0.46 H new ATOM 0 HG21 ILE A 71 8.816 -1.251 1.124 1.00 0.47 H new ATOM 0 HG22 ILE A 71 9.037 -3.013 1.247 1.00 0.47 H new ATOM 0 HG23 ILE A 71 7.745 -2.211 2.172 1.00 0.47 H new ATOM 0 HD11 ILE A 71 9.238 1.494 3.508 1.00 0.49 H new ATOM 0 HD12 ILE A 71 10.471 0.738 2.471 1.00 0.49 H new ATOM 0 HD13 ILE A 71 8.745 0.558 2.077 1.00 0.49 H new ATOM 1063 N MET A 72 11.142 -4.808 3.036 1.00 0.39 N ATOM 1064 CA MET A 72 11.493 -6.000 2.285 1.00 0.41 C ATOM 1065 C MET A 72 10.808 -7.187 2.915 1.00 0.42 C ATOM 1066 O MET A 72 10.289 -8.062 2.238 1.00 0.50 O ATOM 1067 CB MET A 72 13.002 -6.232 2.286 1.00 0.41 C ATOM 1068 CG MET A 72 13.792 -5.208 1.491 1.00 0.45 C ATOM 1069 SD MET A 72 13.697 -5.480 -0.288 1.00 0.78 S ATOM 1070 CE MET A 72 14.244 -7.180 -0.414 1.00 0.36 C ATOM 0 H MET A 72 11.925 -4.353 3.506 1.00 0.39 H new ATOM 0 HA MET A 72 11.170 -5.870 1.252 1.00 0.41 H new ATOM 0 HB2 MET A 72 13.358 -6.228 3.316 1.00 0.41 H new ATOM 0 HB3 MET A 72 13.206 -7.224 1.882 1.00 0.41 H new ATOM 0 HG2 MET A 72 13.420 -4.210 1.722 1.00 0.45 H new ATOM 0 HG3 MET A 72 14.836 -5.239 1.803 1.00 0.45 H new ATOM 0 HE1 MET A 72 15.023 -7.256 -1.172 1.00 0.36 H new ATOM 0 HE2 MET A 72 14.640 -7.507 0.547 1.00 0.36 H new ATOM 0 HE3 MET A 72 13.402 -7.813 -0.694 1.00 0.36 H new ATOM 1080 N ALA A 73 10.826 -7.197 4.232 1.00 0.41 N ATOM 1081 CA ALA A 73 10.201 -8.246 5.005 1.00 0.44 C ATOM 1082 C ALA A 73 8.696 -8.234 4.778 1.00 0.45 C ATOM 1083 O ALA A 73 8.058 -9.282 4.673 1.00 0.51 O ATOM 1084 CB ALA A 73 10.524 -8.030 6.470 1.00 0.46 C ATOM 0 H ALA A 73 11.276 -6.476 4.796 1.00 0.41 H new ATOM 0 HA ALA A 73 10.582 -9.218 4.692 1.00 0.44 H new ATOM 0 HB1 ALA A 73 10.058 -8.815 7.065 1.00 0.46 H new ATOM 0 HB2 ALA A 73 11.604 -8.059 6.613 1.00 0.46 H new ATOM 0 HB3 ALA A 73 10.142 -7.060 6.787 1.00 0.46 H new ATOM 1090 N LYS A 74 8.146 -7.030 4.685 1.00 0.42 N ATOM 1091 CA LYS A 74 6.720 -6.834 4.480 1.00 0.46 C ATOM 1092 C LYS A 74 6.269 -7.295 3.089 1.00 0.47 C ATOM 1093 O LYS A 74 5.255 -7.979 2.960 1.00 0.57 O ATOM 1094 CB LYS A 74 6.394 -5.351 4.694 1.00 0.50 C ATOM 1095 CG LYS A 74 5.606 -4.716 3.569 1.00 1.17 C ATOM 1096 CD LYS A 74 5.234 -3.278 3.889 1.00 1.08 C ATOM 1097 CE LYS A 74 4.313 -3.187 5.094 1.00 1.83 C ATOM 1098 NZ LYS A 74 3.950 -1.778 5.409 1.00 2.52 N ATOM 0 H LYS A 74 8.678 -6.162 4.750 1.00 0.42 H new ATOM 0 HA LYS A 74 6.175 -7.445 5.200 1.00 0.46 H new ATOM 0 HB2 LYS A 74 5.830 -5.245 5.621 1.00 0.50 H new ATOM 0 HB3 LYS A 74 7.326 -4.801 4.824 1.00 0.50 H new ATOM 0 HG2 LYS A 74 6.193 -4.745 2.651 1.00 1.17 H new ATOM 0 HG3 LYS A 74 4.701 -5.295 3.386 1.00 1.17 H new ATOM 0 HD2 LYS A 74 6.140 -2.702 4.080 1.00 1.08 H new ATOM 0 HD3 LYS A 74 4.746 -2.828 3.024 1.00 1.08 H new ATOM 0 HE2 LYS A 74 3.407 -3.761 4.903 1.00 1.83 H new ATOM 0 HE3 LYS A 74 4.800 -3.639 5.958 1.00 1.83 H new ATOM 0 HZ1 LYS A 74 3.321 -1.758 6.237 1.00 2.52 H new ATOM 0 HZ2 LYS A 74 4.813 -1.235 5.617 1.00 2.52 H new ATOM 0 HZ3 LYS A 74 3.462 -1.355 4.594 1.00 2.52 H new ATOM 1112 N GLN A 75 7.023 -6.922 2.059 1.00 0.45 N ATOM 1113 CA GLN A 75 6.672 -7.282 0.686 1.00 0.50 C ATOM 1114 C GLN A 75 7.079 -8.716 0.343 1.00 0.52 C ATOM 1115 O GLN A 75 6.280 -9.473 -0.207 1.00 0.67 O ATOM 1116 CB GLN A 75 7.307 -6.294 -0.291 1.00 0.50 C ATOM 1117 CG GLN A 75 6.834 -4.865 -0.078 1.00 0.76 C ATOM 1118 CD GLN A 75 7.270 -3.927 -1.185 1.00 0.66 C ATOM 1119 OE1 GLN A 75 6.567 -3.756 -2.179 1.00 1.60 O ATOM 1120 NE2 GLN A 75 8.432 -3.313 -1.015 1.00 0.86 N ATOM 0 H GLN A 75 7.878 -6.373 2.147 1.00 0.45 H new ATOM 0 HA GLN A 75 5.587 -7.230 0.597 1.00 0.50 H new ATOM 0 HB2 GLN A 75 8.391 -6.332 -0.185 1.00 0.50 H new ATOM 0 HB3 GLN A 75 7.075 -6.600 -1.311 1.00 0.50 H new ATOM 0 HG2 GLN A 75 5.746 -4.855 -0.008 1.00 0.76 H new ATOM 0 HG3 GLN A 75 7.219 -4.499 0.874 1.00 0.76 H new ATOM 0 HE21 GLN A 75 8.982 -3.486 -0.173 1.00 0.86 H new ATOM 0 HE22 GLN A 75 8.777 -2.668 -1.726 1.00 0.86 H new ATOM 1129 N MET A 76 8.318 -9.083 0.655 1.00 0.55 N ATOM 1130 CA MET A 76 8.801 -10.432 0.379 1.00 0.66 C ATOM 1131 C MET A 76 7.852 -11.471 0.970 1.00 0.71 C ATOM 1132 O MET A 76 7.562 -12.491 0.345 1.00 0.83 O ATOM 1133 CB MET A 76 10.214 -10.629 0.926 1.00 0.87 C ATOM 1134 CG MET A 76 11.280 -9.915 0.108 1.00 1.02 C ATOM 1135 SD MET A 76 12.955 -10.383 0.580 1.00 1.03 S ATOM 1136 CE MET A 76 12.947 -9.947 2.314 1.00 0.64 C ATOM 0 H MET A 76 9.003 -8.469 1.097 1.00 0.55 H new ATOM 0 HA MET A 76 8.833 -10.565 -0.702 1.00 0.66 H new ATOM 0 HB2 MET A 76 10.252 -10.268 1.954 1.00 0.87 H new ATOM 0 HB3 MET A 76 10.440 -11.695 0.954 1.00 0.87 H new ATOM 0 HG2 MET A 76 11.130 -10.137 -0.948 1.00 1.02 H new ATOM 0 HG3 MET A 76 11.162 -8.838 0.227 1.00 1.02 H new ATOM 0 HE1 MET A 76 13.915 -9.529 2.588 1.00 0.64 H new ATOM 0 HE2 MET A 76 12.167 -9.209 2.500 1.00 0.64 H new ATOM 0 HE3 MET A 76 12.754 -10.837 2.912 1.00 0.64 H new ATOM 1240 N GLU A 83 -5.610 -13.697 -0.167 1.00 7.37 N ATOM 1241 CA GLU A 83 -6.625 -13.899 0.862 1.00 8.31 C ATOM 1242 C GLU A 83 -7.046 -12.571 1.484 1.00 8.90 C ATOM 1243 O GLU A 83 -8.209 -12.384 1.840 1.00 9.79 O ATOM 1244 CB GLU A 83 -6.100 -14.838 1.950 1.00 8.42 C ATOM 1245 CG GLU A 83 -5.674 -16.200 1.427 1.00 8.14 C ATOM 1246 CD GLU A 83 -5.272 -17.151 2.537 1.00 8.51 C ATOM 1247 OE1 GLU A 83 -4.084 -17.146 2.921 1.00 8.45 O ATOM 1248 OE2 GLU A 83 -6.147 -17.899 3.023 1.00 9.06 O ATOM 0 HA GLU A 83 -7.497 -14.351 0.389 1.00 8.31 H new ATOM 0 HB2 GLU A 83 -5.251 -14.367 2.446 1.00 8.42 H new ATOM 0 HB3 GLU A 83 -6.874 -14.974 2.705 1.00 8.42 H new ATOM 0 HG2 GLU A 83 -6.493 -16.638 0.857 1.00 8.14 H new ATOM 0 HG3 GLU A 83 -4.837 -16.076 0.739 1.00 8.14 H new ATOM 1255 N GLU A 84 -6.095 -11.652 1.612 1.00 8.58 N ATOM 1256 CA GLU A 84 -6.372 -10.346 2.198 1.00 9.37 C ATOM 1257 C GLU A 84 -7.039 -9.420 1.187 1.00 9.77 C ATOM 1258 O GLU A 84 -7.592 -8.388 1.557 1.00 10.65 O ATOM 1259 CB GLU A 84 -5.083 -9.708 2.718 1.00 9.24 C ATOM 1260 CG GLU A 84 -5.315 -8.486 3.590 1.00 9.88 C ATOM 1261 CD GLU A 84 -4.022 -7.863 4.076 1.00 10.30 C ATOM 1262 OE1 GLU A 84 -3.507 -8.304 5.125 1.00 10.41 O ATOM 1263 OE2 GLU A 84 -3.524 -6.932 3.409 1.00 10.72 O ATOM 0 H GLU A 84 -5.128 -11.787 1.318 1.00 8.58 H new ATOM 0 HA GLU A 84 -7.057 -10.494 3.033 1.00 9.37 H new ATOM 0 HB2 GLU A 84 -4.525 -10.450 3.289 1.00 9.24 H new ATOM 0 HB3 GLU A 84 -4.460 -9.425 1.869 1.00 9.24 H new ATOM 0 HG2 GLU A 84 -5.882 -7.745 3.027 1.00 9.88 H new ATOM 0 HG3 GLU A 84 -5.924 -8.768 4.449 1.00 9.88 H new ATOM 1270 N MET A 85 -6.989 -9.791 -0.089 1.00 9.28 N ATOM 1271 CA MET A 85 -7.600 -8.983 -1.138 1.00 9.90 C ATOM 1272 C MET A 85 -9.110 -9.151 -1.106 1.00 10.59 C ATOM 1273 O MET A 85 -9.859 -8.181 -1.220 1.00 11.45 O ATOM 1274 CB MET A 85 -7.055 -9.373 -2.515 1.00 9.48 C ATOM 1275 CG MET A 85 -5.642 -8.875 -2.769 1.00 8.93 C ATOM 1276 SD MET A 85 -4.865 -9.660 -4.195 1.00 8.96 S ATOM 1277 CE MET A 85 -6.020 -9.229 -5.492 1.00 9.60 C ATOM 0 H MET A 85 -6.534 -10.642 -0.420 1.00 9.28 H new ATOM 0 HA MET A 85 -7.351 -7.937 -0.957 1.00 9.90 H new ATOM 0 HB2 MET A 85 -7.072 -10.459 -2.610 1.00 9.48 H new ATOM 0 HB3 MET A 85 -7.716 -8.975 -3.285 1.00 9.48 H new ATOM 0 HG2 MET A 85 -5.665 -7.796 -2.923 1.00 8.93 H new ATOM 0 HG3 MET A 85 -5.033 -9.058 -1.884 1.00 8.93 H new ATOM 0 HE1 MET A 85 -6.628 -10.098 -5.741 1.00 9.60 H new ATOM 0 HE2 MET A 85 -6.666 -8.420 -5.150 1.00 9.60 H new ATOM 0 HE3 MET A 85 -5.470 -8.906 -6.376 1.00 9.60 H new ATOM 1287 N ARG A 86 -9.549 -10.392 -0.944 1.00 10.35 N ATOM 1288 CA ARG A 86 -10.973 -10.686 -0.877 1.00 11.19 C ATOM 1289 C ARG A 86 -11.547 -10.185 0.444 1.00 11.96 C ATOM 1290 O ARG A 86 -12.606 -9.557 0.479 1.00 12.88 O ATOM 1291 CB ARG A 86 -11.218 -12.189 -1.015 1.00 10.99 C ATOM 1292 CG ARG A 86 -12.662 -12.540 -1.319 1.00 11.99 C ATOM 1293 CD ARG A 86 -12.922 -14.023 -1.115 1.00 12.13 C ATOM 1294 NE ARG A 86 -14.337 -14.359 -1.250 1.00 12.84 N ATOM 1295 CZ ARG A 86 -14.819 -15.593 -1.118 1.00 13.32 C ATOM 1296 NH1 ARG A 86 -14.003 -16.603 -0.848 1.00 13.18 N ATOM 1297 NH2 ARG A 86 -16.119 -15.817 -1.256 1.00 14.09 N ATOM 0 H ARG A 86 -8.942 -11.207 -0.857 1.00 10.35 H new ATOM 0 HA ARG A 86 -11.472 -10.175 -1.701 1.00 11.19 H new ATOM 0 HB2 ARG A 86 -10.582 -12.582 -1.808 1.00 10.99 H new ATOM 0 HB3 ARG A 86 -10.918 -12.684 -0.092 1.00 10.99 H new ATOM 0 HG2 ARG A 86 -13.323 -11.960 -0.675 1.00 11.99 H new ATOM 0 HG3 ARG A 86 -12.897 -12.265 -2.347 1.00 11.99 H new ATOM 0 HD2 ARG A 86 -12.344 -14.595 -1.841 1.00 12.13 H new ATOM 0 HD3 ARG A 86 -12.573 -14.319 -0.126 1.00 12.13 H new ATOM 0 HE ARG A 86 -14.993 -13.606 -1.457 1.00 12.84 H new ATOM 0 HH11 ARG A 86 -13.003 -16.436 -0.741 1.00 13.18 H new ATOM 0 HH12 ARG A 86 -14.376 -17.547 -0.748 1.00 13.18 H new ATOM 0 HH21 ARG A 86 -16.751 -15.043 -1.464 1.00 14.09 H new ATOM 0 HH22 ARG A 86 -16.487 -16.763 -1.155 1.00 14.09 H new ATOM 1311 N GLU A 87 -10.832 -10.469 1.530 1.00 11.71 N ATOM 1312 CA GLU A 87 -11.257 -10.048 2.860 1.00 12.58 C ATOM 1313 C GLU A 87 -11.346 -8.528 2.946 1.00 13.20 C ATOM 1314 O GLU A 87 -12.371 -7.983 3.351 1.00 14.14 O ATOM 1315 CB GLU A 87 -10.287 -10.575 3.919 1.00 12.36 C ATOM 1316 CG GLU A 87 -10.315 -12.087 4.070 1.00 12.89 C ATOM 1317 CD GLU A 87 -9.290 -12.592 5.067 1.00 13.23 C ATOM 1318 OE1 GLU A 87 -9.571 -12.542 6.283 1.00 13.47 O ATOM 1319 OE2 GLU A 87 -8.208 -13.037 4.632 1.00 13.40 O ATOM 0 H GLU A 87 -9.955 -10.990 1.514 1.00 11.71 H new ATOM 0 HA GLU A 87 -12.247 -10.463 3.047 1.00 12.58 H new ATOM 0 HB2 GLU A 87 -9.275 -10.263 3.661 1.00 12.36 H new ATOM 0 HB3 GLU A 87 -10.527 -10.118 4.879 1.00 12.36 H new ATOM 0 HG2 GLU A 87 -11.310 -12.398 4.388 1.00 12.89 H new ATOM 0 HG3 GLU A 87 -10.131 -12.549 3.100 1.00 12.89 H new ATOM 1326 N ALA A 88 -10.264 -7.849 2.563 1.00 12.78 N ATOM 1327 CA ALA A 88 -10.224 -6.390 2.594 1.00 13.49 C ATOM 1328 C ALA A 88 -11.427 -5.805 1.865 1.00 14.13 C ATOM 1329 O ALA A 88 -12.075 -4.883 2.358 1.00 15.06 O ATOM 1330 CB ALA A 88 -8.933 -5.877 1.975 1.00 13.06 C ATOM 0 H ALA A 88 -9.406 -8.287 2.228 1.00 12.78 H new ATOM 0 HA ALA A 88 -10.261 -6.071 3.636 1.00 13.49 H new ATOM 0 HB1 ALA A 88 -8.922 -4.788 2.007 1.00 13.06 H new ATOM 0 HB2 ALA A 88 -8.082 -6.265 2.534 1.00 13.06 H new ATOM 0 HB3 ALA A 88 -8.869 -6.210 0.939 1.00 13.06 H new ATOM 1336 N PHE A 89 -11.714 -6.354 0.688 1.00 13.73 N ATOM 1337 CA PHE A 89 -12.846 -5.905 -0.114 1.00 14.46 C ATOM 1338 C PHE A 89 -14.119 -5.888 0.725 1.00 15.32 C ATOM 1339 O PHE A 89 -14.873 -4.914 0.714 1.00 16.24 O ATOM 1340 CB PHE A 89 -13.023 -6.826 -1.326 1.00 14.00 C ATOM 1341 CG PHE A 89 -14.431 -6.879 -1.851 1.00 14.89 C ATOM 1342 CD1 PHE A 89 -14.921 -5.859 -2.652 1.00 15.30 C ATOM 1343 CD2 PHE A 89 -15.258 -7.946 -1.549 1.00 15.46 C ATOM 1344 CE1 PHE A 89 -16.211 -5.904 -3.142 1.00 16.22 C ATOM 1345 CE2 PHE A 89 -16.549 -7.997 -2.035 1.00 16.38 C ATOM 1346 CZ PHE A 89 -17.036 -6.976 -2.809 1.00 16.75 C ATOM 0 H PHE A 89 -11.176 -7.112 0.268 1.00 13.73 H new ATOM 0 HA PHE A 89 -12.649 -4.891 -0.463 1.00 14.46 H new ATOM 0 HB2 PHE A 89 -12.361 -6.491 -2.124 1.00 14.00 H new ATOM 0 HB3 PHE A 89 -12.709 -7.834 -1.053 1.00 14.00 H new ATOM 0 HD1 PHE A 89 -14.286 -5.020 -2.895 1.00 15.30 H new ATOM 0 HD2 PHE A 89 -14.890 -8.748 -0.926 1.00 15.46 H new ATOM 0 HE1 PHE A 89 -16.578 -5.113 -3.779 1.00 16.22 H new ATOM 0 HE2 PHE A 89 -17.178 -8.844 -1.805 1.00 16.38 H new ATOM 0 HZ PHE A 89 -18.057 -7.003 -3.160 1.00 16.75 H new ATOM 1356 N LYS A 90 -14.347 -6.976 1.449 1.00 15.11 N ATOM 1357 CA LYS A 90 -15.527 -7.101 2.298 1.00 16.01 C ATOM 1358 C LYS A 90 -15.491 -6.090 3.441 1.00 16.75 C ATOM 1359 O LYS A 90 -16.516 -5.506 3.795 1.00 17.70 O ATOM 1360 CB LYS A 90 -15.623 -8.520 2.857 1.00 15.74 C ATOM 1361 CG LYS A 90 -15.740 -9.586 1.780 1.00 15.19 C ATOM 1362 CD LYS A 90 -15.817 -10.978 2.376 1.00 15.14 C ATOM 1363 CE LYS A 90 -15.717 -12.050 1.302 1.00 14.45 C ATOM 1364 NZ LYS A 90 -16.860 -11.991 0.349 1.00 14.90 N ATOM 0 H LYS A 90 -13.729 -7.787 1.466 1.00 15.11 H new ATOM 0 HA LYS A 90 -16.407 -6.895 1.689 1.00 16.01 H new ATOM 0 HB2 LYS A 90 -14.742 -8.723 3.465 1.00 15.74 H new ATOM 0 HB3 LYS A 90 -16.488 -8.585 3.517 1.00 15.74 H new ATOM 0 HG2 LYS A 90 -16.629 -9.398 1.177 1.00 15.19 H new ATOM 0 HG3 LYS A 90 -14.882 -9.523 1.111 1.00 15.19 H new ATOM 0 HD2 LYS A 90 -15.013 -11.110 3.100 1.00 15.14 H new ATOM 0 HD3 LYS A 90 -16.756 -11.091 2.919 1.00 15.14 H new ATOM 0 HE2 LYS A 90 -14.782 -11.929 0.755 1.00 14.45 H new ATOM 0 HE3 LYS A 90 -15.687 -13.033 1.772 1.00 14.45 H new ATOM 0 HZ1 LYS A 90 -16.790 -12.779 -0.326 1.00 14.90 H new ATOM 0 HZ2 LYS A 90 -17.754 -12.063 0.875 1.00 14.90 H new ATOM 0 HZ3 LYS A 90 -16.835 -11.089 -0.168 1.00 14.90 H new ATOM 1378 N ILE A 91 -14.308 -5.889 4.015 1.00 16.40 N ATOM 1379 CA ILE A 91 -14.144 -4.947 5.116 1.00 17.17 C ATOM 1380 C ILE A 91 -14.486 -3.526 4.677 1.00 17.84 C ATOM 1381 O ILE A 91 -14.994 -2.728 5.466 1.00 18.78 O ATOM 1382 CB ILE A 91 -12.706 -4.970 5.677 1.00 16.77 C ATOM 1383 CG1 ILE A 91 -12.331 -6.388 6.119 1.00 16.16 C ATOM 1384 CG2 ILE A 91 -12.574 -3.996 6.840 1.00 17.75 C ATOM 1385 CD1 ILE A 91 -10.885 -6.529 6.546 1.00 16.20 C ATOM 0 H ILE A 91 -13.450 -6.366 3.736 1.00 16.40 H new ATOM 0 HA ILE A 91 -14.832 -5.260 5.902 1.00 17.17 H new ATOM 0 HB ILE A 91 -12.020 -4.660 4.889 1.00 16.77 H new ATOM 0 HG12 ILE A 91 -12.976 -6.684 6.947 1.00 16.16 H new ATOM 0 HG13 ILE A 91 -12.528 -7.079 5.299 1.00 16.16 H new ATOM 0 HG21 ILE A 91 -11.554 -4.024 7.224 1.00 17.75 H new ATOM 0 HG22 ILE A 91 -12.805 -2.987 6.498 1.00 17.75 H new ATOM 0 HG23 ILE A 91 -13.268 -4.278 7.632 1.00 17.75 H new ATOM 0 HD11 ILE A 91 -10.693 -7.559 6.845 1.00 16.20 H new ATOM 0 HD12 ILE A 91 -10.232 -6.265 5.714 1.00 16.20 H new ATOM 0 HD13 ILE A 91 -10.687 -5.864 7.387 1.00 16.20 H new ATOM 1397 N PHE A 92 -14.210 -3.213 3.413 1.00 17.43 N ATOM 1398 CA PHE A 92 -14.494 -1.885 2.880 1.00 18.14 C ATOM 1399 C PHE A 92 -15.985 -1.721 2.593 1.00 18.80 C ATOM 1400 O PHE A 92 -16.470 -0.606 2.398 1.00 19.63 O ATOM 1401 CB PHE A 92 -13.679 -1.620 1.610 1.00 17.63 C ATOM 1402 CG PHE A 92 -12.206 -1.445 1.858 1.00 17.41 C ATOM 1403 CD1 PHE A 92 -11.750 -0.515 2.779 1.00 17.64 C ATOM 1404 CD2 PHE A 92 -11.278 -2.210 1.173 1.00 17.12 C ATOM 1405 CE1 PHE A 92 -10.399 -0.350 3.012 1.00 17.60 C ATOM 1406 CE2 PHE A 92 -9.923 -2.050 1.399 1.00 17.07 C ATOM 1407 CZ PHE A 92 -9.482 -1.119 2.320 1.00 17.34 C ATOM 0 H PHE A 92 -13.792 -3.858 2.742 1.00 17.43 H new ATOM 0 HA PHE A 92 -14.204 -1.155 3.635 1.00 18.14 H new ATOM 0 HB2 PHE A 92 -13.825 -2.448 0.917 1.00 17.63 H new ATOM 0 HB3 PHE A 92 -14.065 -0.725 1.123 1.00 17.63 H new ATOM 0 HD1 PHE A 92 -12.462 0.089 3.322 1.00 17.64 H new ATOM 0 HD2 PHE A 92 -11.616 -2.941 0.453 1.00 17.12 H new ATOM 0 HE1 PHE A 92 -10.059 0.378 3.733 1.00 17.60 H new ATOM 0 HE2 PHE A 92 -9.210 -2.652 0.856 1.00 17.07 H new ATOM 0 HZ PHE A 92 -8.424 -0.993 2.499 1.00 17.34 H new ATOM 1417 N ASP A 93 -16.704 -2.839 2.566 1.00 18.51 N ATOM 1418 CA ASP A 93 -18.141 -2.820 2.309 1.00 19.23 C ATOM 1419 C ASP A 93 -18.920 -2.892 3.619 1.00 19.92 C ATOM 1420 O ASP A 93 -18.780 -3.850 4.381 1.00 19.65 O ATOM 1421 CB ASP A 93 -18.532 -3.991 1.403 1.00 18.69 C ATOM 1422 CG ASP A 93 -19.982 -3.928 0.960 1.00 19.57 C ATOM 1423 OD1 ASP A 93 -20.563 -2.821 0.976 1.00 20.02 O ATOM 1424 OD2 ASP A 93 -20.535 -4.985 0.591 1.00 19.89 O ATOM 0 H ASP A 93 -16.316 -3.770 2.719 1.00 18.51 H new ATOM 0 HA ASP A 93 -18.389 -1.885 1.807 1.00 19.23 H new ATOM 0 HB2 ASP A 93 -17.887 -3.996 0.524 1.00 18.69 H new ATOM 0 HB3 ASP A 93 -18.358 -4.928 1.932 1.00 18.69 H new ATOM 1429 N ARG A 94 -19.740 -1.876 3.877 1.00 20.90 N ATOM 1430 CA ARG A 94 -20.530 -1.828 5.103 1.00 21.70 C ATOM 1431 C ARG A 94 -21.705 -2.800 5.036 1.00 22.13 C ATOM 1432 O ARG A 94 -22.063 -3.424 6.034 1.00 22.63 O ATOM 1433 CB ARG A 94 -21.056 -0.411 5.360 1.00 22.67 C ATOM 1434 CG ARG A 94 -20.107 0.703 4.936 1.00 22.53 C ATOM 1435 CD ARG A 94 -18.722 0.543 5.541 1.00 22.13 C ATOM 1436 NE ARG A 94 -18.775 0.071 6.923 1.00 22.41 N ATOM 1437 CZ ARG A 94 -17.844 -0.700 7.476 1.00 22.68 C ATOM 1438 NH1 ARG A 94 -16.790 -1.086 6.769 1.00 22.72 N ATOM 1439 NH2 ARG A 94 -17.967 -1.086 8.739 1.00 23.01 N ATOM 0 H ARG A 94 -19.874 -1.078 3.256 1.00 20.90 H new ATOM 0 HA ARG A 94 -19.875 -2.120 5.924 1.00 21.70 H new ATOM 0 HB2 ARG A 94 -22.001 -0.287 4.831 1.00 22.67 H new ATOM 0 HB3 ARG A 94 -21.269 -0.304 6.424 1.00 22.67 H new ATOM 0 HG2 ARG A 94 -20.027 0.715 3.849 1.00 22.53 H new ATOM 0 HG3 ARG A 94 -20.523 1.665 5.235 1.00 22.53 H new ATOM 0 HD2 ARG A 94 -18.144 -0.160 4.941 1.00 22.13 H new ATOM 0 HD3 ARG A 94 -18.199 1.499 5.505 1.00 22.13 H new ATOM 0 HE ARG A 94 -19.572 0.349 7.496 1.00 22.41 H new ATOM 0 HH11 ARG A 94 -16.692 -0.791 5.797 1.00 22.72 H new ATOM 0 HH12 ARG A 94 -16.078 -1.678 7.197 1.00 22.72 H new ATOM 0 HH21 ARG A 94 -18.776 -0.791 9.286 1.00 23.01 H new ATOM 0 HH22 ARG A 94 -17.253 -1.678 9.163 1.00 23.01 H new ATOM 1453 N ASP A 95 -22.303 -2.921 3.854 1.00 22.06 N ATOM 1454 CA ASP A 95 -23.443 -3.810 3.664 1.00 22.57 C ATOM 1455 C ASP A 95 -22.998 -5.168 3.134 1.00 21.80 C ATOM 1456 O ASP A 95 -21.824 -5.376 2.831 1.00 20.81 O ATOM 1457 CB ASP A 95 -24.445 -3.190 2.688 1.00 23.28 C ATOM 1458 CG ASP A 95 -24.445 -1.676 2.735 1.00 23.89 C ATOM 1459 OD1 ASP A 95 -24.931 -1.114 3.740 1.00 24.34 O ATOM 1460 OD2 ASP A 95 -23.957 -1.051 1.770 1.00 24.00 O ATOM 0 H ASP A 95 -22.017 -2.415 3.016 1.00 22.06 H new ATOM 0 HA ASP A 95 -23.918 -3.951 4.635 1.00 22.57 H new ATOM 0 HB2 ASP A 95 -24.211 -3.518 1.675 1.00 23.28 H new ATOM 0 HB3 ASP A 95 -25.445 -3.557 2.918 1.00 23.28 H new ATOM 1465 N GLY A 96 -23.950 -6.090 3.034 1.00 22.31 N ATOM 1466 CA GLY A 96 -23.656 -7.418 2.527 1.00 21.77 C ATOM 1467 C GLY A 96 -24.065 -7.564 1.075 1.00 21.93 C ATOM 1468 O GLY A 96 -23.993 -8.654 0.506 1.00 21.68 O ATOM 0 H GLY A 96 -24.924 -5.940 3.296 1.00 22.31 H new ATOM 0 HA2 GLY A 96 -22.589 -7.618 2.627 1.00 21.77 H new ATOM 0 HA3 GLY A 96 -24.178 -8.162 3.129 1.00 21.77 H new ATOM 1472 N ASP A 97 -24.502 -6.455 0.485 1.00 22.44 N ATOM 1473 CA ASP A 97 -24.938 -6.429 -0.909 1.00 22.79 C ATOM 1474 C ASP A 97 -23.915 -7.083 -1.833 1.00 21.82 C ATOM 1475 O ASP A 97 -24.279 -7.741 -2.808 1.00 22.02 O ATOM 1476 CB ASP A 97 -25.192 -4.984 -1.352 1.00 23.40 C ATOM 1477 CG ASP A 97 -24.087 -4.033 -0.923 1.00 22.73 C ATOM 1478 OD1 ASP A 97 -23.027 -4.516 -0.473 1.00 22.66 O ATOM 1479 OD2 ASP A 97 -24.278 -2.804 -1.041 1.00 22.35 O ATOM 0 H ASP A 97 -24.564 -5.553 0.957 1.00 22.44 H new ATOM 0 HA ASP A 97 -25.863 -7.001 -0.978 1.00 22.79 H new ATOM 0 HB2 ASP A 97 -25.290 -4.954 -2.437 1.00 23.40 H new ATOM 0 HB3 ASP A 97 -26.140 -4.643 -0.936 1.00 23.40 H new ATOM 1484 N GLY A 98 -22.636 -6.899 -1.524 1.00 20.85 N ATOM 1485 CA GLY A 98 -21.586 -7.472 -2.342 1.00 19.90 C ATOM 1486 C GLY A 98 -20.857 -6.422 -3.152 1.00 19.67 C ATOM 1487 O GLY A 98 -20.004 -6.745 -3.978 1.00 18.98 O ATOM 0 H GLY A 98 -22.309 -6.363 -0.721 1.00 20.85 H new ATOM 0 HA2 GLY A 98 -20.874 -7.995 -1.703 1.00 19.90 H new ATOM 0 HA3 GLY A 98 -22.016 -8.214 -3.015 1.00 19.90 H new ATOM 1491 N PHE A 99 -21.203 -5.158 -2.922 1.00 20.36 N ATOM 1492 CA PHE A 99 -20.570 -4.053 -3.630 1.00 20.37 C ATOM 1493 C PHE A 99 -20.307 -2.887 -2.679 1.00 20.60 C ATOM 1494 O PHE A 99 -20.985 -2.738 -1.658 1.00 21.08 O ATOM 1495 CB PHE A 99 -21.431 -3.596 -4.810 1.00 21.34 C ATOM 1496 CG PHE A 99 -22.056 -4.727 -5.579 1.00 21.51 C ATOM 1497 CD1 PHE A 99 -21.348 -5.379 -6.577 1.00 21.38 C ATOM 1498 CD2 PHE A 99 -23.351 -5.138 -5.304 1.00 21.92 C ATOM 1499 CE1 PHE A 99 -21.920 -6.419 -7.285 1.00 21.65 C ATOM 1500 CE2 PHE A 99 -23.928 -6.177 -6.010 1.00 22.21 C ATOM 1501 CZ PHE A 99 -23.211 -6.819 -7.002 1.00 22.08 C ATOM 0 H PHE A 99 -21.918 -4.875 -2.251 1.00 20.36 H new ATOM 0 HA PHE A 99 -19.615 -4.404 -4.021 1.00 20.37 H new ATOM 0 HB2 PHE A 99 -22.220 -2.941 -4.440 1.00 21.34 H new ATOM 0 HB3 PHE A 99 -20.817 -3.004 -5.488 1.00 21.34 H new ATOM 0 HD1 PHE A 99 -20.338 -5.071 -6.804 1.00 21.38 H new ATOM 0 HD2 PHE A 99 -23.916 -4.641 -4.529 1.00 21.92 H new ATOM 0 HE1 PHE A 99 -21.357 -6.919 -8.060 1.00 21.65 H new ATOM 0 HE2 PHE A 99 -24.938 -6.487 -5.787 1.00 22.21 H new ATOM 0 HZ PHE A 99 -23.659 -7.632 -7.554 1.00 22.08 H new ATOM 1511 N ILE A 100 -19.325 -2.056 -3.023 1.00 20.36 N ATOM 1512 CA ILE A 100 -18.956 -0.918 -2.186 1.00 20.66 C ATOM 1513 C ILE A 100 -19.250 0.411 -2.873 1.00 21.62 C ATOM 1514 O ILE A 100 -19.283 0.498 -4.100 1.00 21.77 O ATOM 1515 CB ILE A 100 -17.457 -0.963 -1.827 1.00 19.72 C ATOM 1516 CG1 ILE A 100 -17.033 -2.392 -1.483 1.00 18.71 C ATOM 1517 CG2 ILE A 100 -17.161 -0.022 -0.666 1.00 20.15 C ATOM 1518 CD1 ILE A 100 -15.537 -2.561 -1.326 1.00 17.74 C ATOM 0 H ILE A 100 -18.772 -2.150 -3.875 1.00 20.36 H new ATOM 0 HA ILE A 100 -19.559 -0.990 -1.281 1.00 20.66 H new ATOM 0 HB ILE A 100 -16.882 -0.633 -2.693 1.00 19.72 H new ATOM 0 HG12 ILE A 100 -17.523 -2.694 -0.558 1.00 18.71 H new ATOM 0 HG13 ILE A 100 -17.386 -3.065 -2.265 1.00 18.71 H new ATOM 0 HG21 ILE A 100 -16.099 -0.065 -0.424 1.00 20.15 H new ATOM 0 HG22 ILE A 100 -17.428 0.997 -0.946 1.00 20.15 H new ATOM 0 HG23 ILE A 100 -17.744 -0.324 0.204 1.00 20.15 H new ATOM 0 HD11 ILE A 100 -15.312 -3.599 -1.083 1.00 17.74 H new ATOM 0 HD12 ILE A 100 -15.041 -2.291 -2.258 1.00 17.74 H new ATOM 0 HD13 ILE A 100 -15.180 -1.915 -0.524 1.00 17.74 H new ATOM 1530 N SER A 101 -19.459 1.444 -2.062 1.00 22.35 N ATOM 1531 CA SER A 101 -19.741 2.783 -2.567 1.00 23.35 C ATOM 1532 C SER A 101 -18.717 3.779 -2.026 1.00 23.43 C ATOM 1533 O SER A 101 -18.125 3.543 -0.976 1.00 22.96 O ATOM 1534 CB SER A 101 -21.153 3.218 -2.166 1.00 24.38 C ATOM 1535 OG SER A 101 -22.127 2.319 -2.668 1.00 24.61 O ATOM 0 H SER A 101 -19.438 1.377 -1.044 1.00 22.35 H new ATOM 0 HA SER A 101 -19.675 2.762 -3.655 1.00 23.35 H new ATOM 0 HB2 SER A 101 -21.226 3.269 -1.080 1.00 24.38 H new ATOM 0 HB3 SER A 101 -21.349 4.221 -2.546 1.00 24.38 H new ATOM 0 HG SER A 101 -21.981 2.181 -3.627 1.00 24.61 H new ATOM 1541 N PRO A 102 -18.485 4.901 -2.732 1.00 24.11 N ATOM 1542 CA PRO A 102 -17.521 5.919 -2.296 1.00 24.36 C ATOM 1543 C PRO A 102 -17.745 6.358 -0.851 1.00 24.64 C ATOM 1544 O PRO A 102 -16.799 6.695 -0.141 1.00 24.44 O ATOM 1545 CB PRO A 102 -17.772 7.083 -3.255 1.00 25.42 C ATOM 1546 CG PRO A 102 -18.334 6.449 -4.481 1.00 25.38 C ATOM 1547 CD PRO A 102 -19.134 5.266 -4.007 1.00 24.81 C ATOM 0 HA PRO A 102 -16.498 5.543 -2.320 1.00 24.36 H new ATOM 0 HB2 PRO A 102 -18.468 7.805 -2.828 1.00 25.42 H new ATOM 0 HB3 PRO A 102 -16.850 7.621 -3.475 1.00 25.42 H new ATOM 0 HG2 PRO A 102 -18.963 7.150 -5.030 1.00 25.38 H new ATOM 0 HG3 PRO A 102 -17.539 6.136 -5.158 1.00 25.38 H new ATOM 0 HD2 PRO A 102 -20.184 5.522 -3.864 1.00 24.81 H new ATOM 0 HD3 PRO A 102 -19.101 4.446 -4.724 1.00 24.81 H new ATOM 1555 N ALA A 103 -19.003 6.351 -0.423 1.00 25.18 N ATOM 1556 CA ALA A 103 -19.352 6.744 0.939 1.00 25.58 C ATOM 1557 C ALA A 103 -18.960 5.660 1.934 1.00 24.70 C ATOM 1558 O ALA A 103 -18.431 5.945 3.011 1.00 24.78 O ATOM 1559 CB ALA A 103 -20.843 7.016 1.036 1.00 26.36 C ATOM 0 H ALA A 103 -19.799 6.077 -0.999 1.00 25.18 H new ATOM 0 HA ALA A 103 -18.802 7.653 1.183 1.00 25.58 H new ATOM 0 HB1 ALA A 103 -21.094 7.308 2.056 1.00 26.36 H new ATOM 0 HB2 ALA A 103 -21.111 7.820 0.351 1.00 26.36 H new ATOM 0 HB3 ALA A 103 -21.395 6.114 0.771 1.00 26.36 H new ATOM 1565 N GLU A 104 -19.214 4.414 1.555 1.00 23.94 N ATOM 1566 CA GLU A 104 -18.900 3.276 2.395 1.00 23.10 C ATOM 1567 C GLU A 104 -17.395 3.139 2.501 1.00 22.34 C ATOM 1568 O GLU A 104 -16.855 2.743 3.534 1.00 22.06 O ATOM 1569 CB GLU A 104 -19.501 2.007 1.791 1.00 22.54 C ATOM 1570 CG GLU A 104 -21.017 1.942 1.866 1.00 23.20 C ATOM 1571 CD GLU A 104 -21.575 0.677 1.241 1.00 22.77 C ATOM 1572 OE1 GLU A 104 -21.416 -0.405 1.843 1.00 22.70 O ATOM 1573 OE2 GLU A 104 -22.171 0.768 0.147 1.00 22.57 O ATOM 0 H GLU A 104 -19.641 4.169 0.661 1.00 23.94 H new ATOM 0 HA GLU A 104 -19.321 3.425 3.389 1.00 23.10 H new ATOM 0 HB2 GLU A 104 -19.196 1.935 0.747 1.00 22.54 H new ATOM 0 HB3 GLU A 104 -19.085 1.141 2.305 1.00 22.54 H new ATOM 0 HG2 GLU A 104 -21.329 1.996 2.909 1.00 23.20 H new ATOM 0 HG3 GLU A 104 -21.440 2.810 1.361 1.00 23.20 H new ATOM 1580 N LEU A 105 -16.735 3.497 1.410 1.00 22.13 N ATOM 1581 CA LEU A 105 -15.292 3.436 1.322 1.00 21.50 C ATOM 1582 C LEU A 105 -14.662 4.507 2.200 1.00 22.09 C ATOM 1583 O LEU A 105 -13.802 4.223 3.028 1.00 21.66 O ATOM 1584 CB LEU A 105 -14.859 3.630 -0.130 1.00 21.47 C ATOM 1585 CG LEU A 105 -13.571 2.910 -0.511 1.00 20.64 C ATOM 1586 CD1 LEU A 105 -13.620 2.454 -1.961 1.00 20.35 C ATOM 1587 CD2 LEU A 105 -12.371 3.809 -0.274 1.00 20.76 C ATOM 0 H LEU A 105 -17.189 3.838 0.563 1.00 22.13 H new ATOM 0 HA LEU A 105 -14.957 2.460 1.672 1.00 21.50 H new ATOM 0 HB2 LEU A 105 -15.660 3.284 -0.783 1.00 21.47 H new ATOM 0 HB3 LEU A 105 -14.733 4.696 -0.318 1.00 21.47 H new ATOM 0 HG LEU A 105 -13.471 2.027 0.121 1.00 20.64 H new ATOM 0 HD11 LEU A 105 -12.691 1.942 -2.213 1.00 20.35 H new ATOM 0 HD12 LEU A 105 -14.459 1.772 -2.100 1.00 20.35 H new ATOM 0 HD13 LEU A 105 -13.745 3.320 -2.611 1.00 20.35 H new ATOM 0 HD21 LEU A 105 -11.459 3.280 -0.551 1.00 20.76 H new ATOM 0 HD22 LEU A 105 -12.466 4.710 -0.880 1.00 20.76 H new ATOM 0 HD23 LEU A 105 -12.325 4.084 0.780 1.00 20.76 H new ATOM 1599 N ARG A 106 -15.115 5.738 2.022 1.00 23.15 N ATOM 1600 CA ARG A 106 -14.596 6.865 2.781 1.00 23.87 C ATOM 1601 C ARG A 106 -14.821 6.670 4.279 1.00 23.93 C ATOM 1602 O ARG A 106 -14.120 7.251 5.103 1.00 24.00 O ATOM 1603 CB ARG A 106 -15.255 8.157 2.296 1.00 25.01 C ATOM 1604 CG ARG A 106 -14.330 9.361 2.274 1.00 25.84 C ATOM 1605 CD ARG A 106 -14.003 9.842 3.673 1.00 26.70 C ATOM 1606 NE ARG A 106 -13.218 11.074 3.661 1.00 27.44 N ATOM 1607 CZ ARG A 106 -12.226 11.326 4.512 1.00 28.28 C ATOM 1608 NH1 ARG A 106 -11.903 10.437 5.441 1.00 28.51 N ATOM 1609 NH2 ARG A 106 -11.558 12.469 4.434 1.00 28.96 N ATOM 0 H ARG A 106 -15.846 5.983 1.354 1.00 23.15 H new ATOM 0 HA ARG A 106 -13.520 6.931 2.618 1.00 23.87 H new ATOM 0 HB2 ARG A 106 -15.647 7.996 1.292 1.00 25.01 H new ATOM 0 HB3 ARG A 106 -16.107 8.380 2.939 1.00 25.01 H new ATOM 0 HG2 ARG A 106 -13.408 9.102 1.753 1.00 25.84 H new ATOM 0 HG3 ARG A 106 -14.798 10.169 1.711 1.00 25.84 H new ATOM 0 HD2 ARG A 106 -14.928 10.008 4.224 1.00 26.70 H new ATOM 0 HD3 ARG A 106 -13.451 9.066 4.203 1.00 26.70 H new ATOM 0 HE ARG A 106 -13.443 11.781 2.961 1.00 27.44 H new ATOM 0 HH11 ARG A 106 -12.415 9.557 5.505 1.00 28.51 H new ATOM 0 HH12 ARG A 106 -11.142 10.633 6.092 1.00 28.51 H new ATOM 0 HH21 ARG A 106 -11.804 13.156 3.721 1.00 28.96 H new ATOM 0 HH22 ARG A 106 -10.798 12.661 5.087 1.00 28.96 H new ATOM 1623 N PHE A 107 -15.802 5.852 4.624 1.00 24.01 N ATOM 1624 CA PHE A 107 -16.112 5.577 6.021 1.00 24.21 C ATOM 1625 C PHE A 107 -15.179 4.519 6.617 1.00 23.32 C ATOM 1626 O PHE A 107 -14.816 4.591 7.792 1.00 23.61 O ATOM 1627 CB PHE A 107 -17.568 5.114 6.144 1.00 24.45 C ATOM 1628 CG PHE A 107 -17.923 4.560 7.495 1.00 25.01 C ATOM 1629 CD1 PHE A 107 -17.776 3.207 7.763 1.00 25.33 C ATOM 1630 CD2 PHE A 107 -18.410 5.389 8.493 1.00 25.30 C ATOM 1631 CE1 PHE A 107 -18.107 2.694 9.003 1.00 25.94 C ATOM 1632 CE2 PHE A 107 -18.741 4.881 9.734 1.00 25.91 C ATOM 1633 CZ PHE A 107 -18.590 3.531 9.989 1.00 26.22 C ATOM 0 H PHE A 107 -16.399 5.365 3.956 1.00 24.01 H new ATOM 0 HA PHE A 107 -15.965 6.500 6.582 1.00 24.21 H new ATOM 0 HB2 PHE A 107 -18.225 5.955 5.924 1.00 24.45 H new ATOM 0 HB3 PHE A 107 -17.761 4.352 5.389 1.00 24.45 H new ATOM 0 HD1 PHE A 107 -17.399 2.548 6.995 1.00 25.33 H new ATOM 0 HD2 PHE A 107 -18.532 6.444 8.298 1.00 25.30 H new ATOM 0 HE1 PHE A 107 -17.988 1.639 9.201 1.00 25.94 H new ATOM 0 HE2 PHE A 107 -19.117 5.538 10.504 1.00 25.91 H new ATOM 0 HZ PHE A 107 -18.849 3.131 10.958 1.00 26.22 H new ATOM 1643 N VAL A 108 -14.793 3.540 5.804 1.00 22.31 N ATOM 1644 CA VAL A 108 -13.946 2.440 6.270 1.00 21.42 C ATOM 1645 C VAL A 108 -12.449 2.763 6.350 1.00 21.31 C ATOM 1646 O VAL A 108 -11.842 2.539 7.389 1.00 21.31 O ATOM 1647 CB VAL A 108 -14.137 1.176 5.419 1.00 20.36 C ATOM 1648 CG1 VAL A 108 -14.136 1.531 3.957 1.00 19.77 C ATOM 1649 CG2 VAL A 108 -13.065 0.141 5.744 1.00 20.26 C ATOM 0 H VAL A 108 -15.052 3.483 4.819 1.00 22.31 H new ATOM 0 HA VAL A 108 -14.286 2.267 7.291 1.00 21.42 H new ATOM 0 HB VAL A 108 -15.103 0.732 5.658 1.00 20.36 H new ATOM 0 HG11 VAL A 108 -14.272 0.627 3.363 1.00 19.77 H new ATOM 0 HG12 VAL A 108 -14.950 2.227 3.751 1.00 19.77 H new ATOM 0 HG13 VAL A 108 -13.186 1.997 3.696 1.00 19.77 H new ATOM 0 HG21 VAL A 108 -13.218 -0.747 5.130 1.00 20.26 H new ATOM 0 HG22 VAL A 108 -12.080 0.560 5.537 1.00 20.26 H new ATOM 0 HG23 VAL A 108 -13.129 -0.131 6.798 1.00 20.26 H new ATOM 1659 N MET A 109 -11.845 3.274 5.274 1.00 21.33 N ATOM 1660 CA MET A 109 -10.401 3.546 5.283 1.00 21.35 C ATOM 1661 C MET A 109 -9.980 4.278 6.553 1.00 22.24 C ATOM 1662 O MET A 109 -8.877 4.070 7.061 1.00 22.21 O ATOM 1663 CB MET A 109 -9.965 4.346 4.055 1.00 21.65 C ATOM 1664 CG MET A 109 -10.902 4.227 2.869 1.00 20.93 C ATOM 1665 SD MET A 109 -11.536 5.826 2.334 1.00 20.76 S ATOM 1666 CE MET A 109 -11.563 6.759 3.873 1.00 21.25 C ATOM 0 H MET A 109 -12.320 3.505 4.401 1.00 21.33 H new ATOM 0 HA MET A 109 -9.902 2.577 5.255 1.00 21.35 H new ATOM 0 HB2 MET A 109 -9.880 5.397 4.332 1.00 21.65 H new ATOM 0 HB3 MET A 109 -8.972 4.014 3.753 1.00 21.65 H new ATOM 0 HG2 MET A 109 -10.377 3.751 2.041 1.00 20.93 H new ATOM 0 HG3 MET A 109 -11.737 3.577 3.132 1.00 20.93 H new ATOM 0 HE1 MET A 109 -12.049 7.720 3.707 1.00 21.25 H new ATOM 0 HE2 MET A 109 -12.114 6.199 4.628 1.00 21.25 H new ATOM 0 HE3 MET A 109 -10.542 6.924 4.217 1.00 21.25 H new ATOM 1676 N ILE A 110 -10.860 5.132 7.063 1.00 23.11 N ATOM 1677 CA ILE A 110 -10.580 5.880 8.281 1.00 24.06 C ATOM 1678 C ILE A 110 -10.332 4.927 9.448 1.00 23.82 C ATOM 1679 O ILE A 110 -9.459 5.158 10.285 1.00 24.33 O ATOM 1680 CB ILE A 110 -11.743 6.824 8.634 1.00 25.05 C ATOM 1681 CG1 ILE A 110 -12.042 7.751 7.455 1.00 25.40 C ATOM 1682 CG2 ILE A 110 -11.417 7.631 9.883 1.00 26.06 C ATOM 1683 CD1 ILE A 110 -13.323 8.538 7.614 1.00 26.28 C ATOM 0 H ILE A 110 -11.773 5.323 6.651 1.00 23.11 H new ATOM 0 HA ILE A 110 -9.686 6.477 8.102 1.00 24.06 H new ATOM 0 HB ILE A 110 -12.630 6.225 8.840 1.00 25.05 H new ATOM 0 HG12 ILE A 110 -11.212 8.446 7.330 1.00 25.40 H new ATOM 0 HG13 ILE A 110 -12.101 7.157 6.543 1.00 25.40 H new ATOM 0 HG21 ILE A 110 -12.251 8.293 10.117 1.00 26.06 H new ATOM 0 HG22 ILE A 110 -11.246 6.953 10.720 1.00 26.06 H new ATOM 0 HG23 ILE A 110 -10.520 8.226 9.708 1.00 26.06 H new ATOM 0 HD11 ILE A 110 -13.470 9.173 6.741 1.00 26.28 H new ATOM 0 HD12 ILE A 110 -14.163 7.850 7.708 1.00 26.28 H new ATOM 0 HD13 ILE A 110 -13.260 9.159 8.508 1.00 26.28 H new ATOM 1695 N ASN A 111 -11.122 3.858 9.493 1.00 23.14 N ATOM 1696 CA ASN A 111 -11.004 2.837 10.530 1.00 22.94 C ATOM 1697 C ASN A 111 -9.592 2.271 10.590 1.00 22.38 C ATOM 1698 O ASN A 111 -9.100 1.905 11.658 1.00 22.72 O ATOM 1699 CB ASN A 111 -11.984 1.694 10.247 1.00 22.34 C ATOM 1700 CG ASN A 111 -13.366 1.962 10.807 1.00 23.08 C ATOM 1701 OD1 ASN A 111 -13.514 2.591 11.854 1.00 23.74 O ATOM 1702 ND2 ASN A 111 -14.391 1.487 10.106 1.00 23.04 N ATOM 0 H ASN A 111 -11.860 3.675 8.813 1.00 23.14 H new ATOM 0 HA ASN A 111 -11.235 3.305 11.487 1.00 22.94 H new ATOM 0 HB2 ASN A 111 -12.056 1.539 9.170 1.00 22.34 H new ATOM 0 HB3 ASN A 111 -11.594 0.771 10.676 1.00 22.34 H new ATOM 0 HD21 ASN A 111 -15.346 1.639 10.432 1.00 23.04 H new ATOM 0 HD22 ASN A 111 -14.223 0.971 9.243 1.00 23.04 H new ATOM 1709 N LEU A 112 -8.953 2.205 9.433 1.00 21.58 N ATOM 1710 CA LEU A 112 -7.610 1.661 9.325 1.00 21.04 C ATOM 1711 C LEU A 112 -6.562 2.770 9.327 1.00 21.87 C ATOM 1712 O LEU A 112 -5.432 2.571 8.882 1.00 21.84 O ATOM 1713 CB LEU A 112 -7.502 0.820 8.051 1.00 20.05 C ATOM 1714 CG LEU A 112 -8.627 -0.209 7.860 1.00 19.21 C ATOM 1715 CD1 LEU A 112 -9.899 0.453 7.362 1.00 19.02 C ATOM 1716 CD2 LEU A 112 -8.206 -1.298 6.896 1.00 18.68 C ATOM 0 H LEU A 112 -9.348 2.525 8.548 1.00 21.58 H new ATOM 0 HA LEU A 112 -7.419 1.029 10.192 1.00 21.04 H new ATOM 0 HB2 LEU A 112 -7.491 1.489 7.191 1.00 20.05 H new ATOM 0 HB3 LEU A 112 -6.547 0.295 8.059 1.00 20.05 H new ATOM 0 HG LEU A 112 -8.827 -0.657 8.834 1.00 19.21 H new ATOM 0 HD11 LEU A 112 -10.676 -0.301 7.237 1.00 19.02 H new ATOM 0 HD12 LEU A 112 -10.229 1.198 8.086 1.00 19.02 H new ATOM 0 HD13 LEU A 112 -9.706 0.938 6.405 1.00 19.02 H new ATOM 0 HD21 LEU A 112 -9.020 -2.014 6.778 1.00 18.68 H new ATOM 0 HD22 LEU A 112 -7.968 -0.856 5.929 1.00 18.68 H new ATOM 0 HD23 LEU A 112 -7.326 -1.810 7.287 1.00 18.68 H new ATOM 1728 N GLY A 113 -6.951 3.936 9.833 1.00 22.70 N ATOM 1729 CA GLY A 113 -6.041 5.066 9.898 1.00 23.62 C ATOM 1730 C GLY A 113 -5.484 5.462 8.544 1.00 23.76 C ATOM 1731 O GLY A 113 -4.488 6.183 8.467 1.00 24.44 O ATOM 0 H GLY A 113 -7.885 4.119 10.201 1.00 22.70 H new ATOM 0 HA2 GLY A 113 -6.561 5.919 10.333 1.00 23.62 H new ATOM 0 HA3 GLY A 113 -5.215 4.822 10.566 1.00 23.62 H new ATOM 1735 N GLU A 114 -6.118 4.992 7.474 1.00 23.22 N ATOM 1736 CA GLU A 114 -5.668 5.314 6.124 1.00 23.41 C ATOM 1737 C GLU A 114 -5.729 6.818 5.869 1.00 24.22 C ATOM 1738 O GLU A 114 -4.763 7.410 5.387 1.00 24.14 O ATOM 1739 CB GLU A 114 -6.510 4.568 5.087 1.00 22.59 C ATOM 1740 CG GLU A 114 -6.295 3.064 5.099 1.00 21.89 C ATOM 1741 CD GLU A 114 -7.016 2.360 3.966 1.00 21.84 C ATOM 1742 OE1 GLU A 114 -6.525 2.422 2.820 1.00 21.97 O ATOM 1743 OE2 GLU A 114 -8.074 1.748 4.226 1.00 21.76 O ATOM 0 H GLU A 114 -6.940 4.390 7.515 1.00 23.22 H new ATOM 0 HA GLU A 114 -4.630 4.994 6.031 1.00 23.41 H new ATOM 0 HB2 GLU A 114 -7.564 4.778 5.268 1.00 22.59 H new ATOM 0 HB3 GLU A 114 -6.274 4.953 4.095 1.00 22.59 H new ATOM 0 HG2 GLU A 114 -5.228 2.853 5.031 1.00 21.89 H new ATOM 0 HG3 GLU A 114 -6.640 2.659 6.051 1.00 21.89 H new ATOM 1750 N LYS A 115 -6.864 7.427 6.202 1.00 25.07 N ATOM 1751 CA LYS A 115 -7.060 8.863 6.008 1.00 25.94 C ATOM 1752 C LYS A 115 -6.791 9.257 4.558 1.00 25.87 C ATOM 1753 O LYS A 115 -5.645 9.477 4.162 1.00 26.08 O ATOM 1754 CB LYS A 115 -6.151 9.661 6.948 1.00 27.05 C ATOM 1755 CG LYS A 115 -6.483 9.465 8.419 1.00 27.83 C ATOM 1756 CD LYS A 115 -5.589 10.312 9.309 1.00 28.38 C ATOM 1757 CE LYS A 115 -5.975 10.178 10.772 1.00 29.16 C ATOM 1758 NZ LYS A 115 -5.877 8.770 11.244 1.00 29.75 N ATOM 0 H LYS A 115 -7.666 6.947 6.609 1.00 25.07 H new ATOM 0 HA LYS A 115 -8.099 9.096 6.242 1.00 25.94 H new ATOM 0 HB2 LYS A 115 -5.115 9.369 6.775 1.00 27.05 H new ATOM 0 HB3 LYS A 115 -6.228 10.720 6.704 1.00 27.05 H new ATOM 0 HG2 LYS A 115 -7.526 9.726 8.596 1.00 27.83 H new ATOM 0 HG3 LYS A 115 -6.369 8.413 8.682 1.00 27.83 H new ATOM 0 HD2 LYS A 115 -4.550 10.010 9.176 1.00 28.38 H new ATOM 0 HD3 LYS A 115 -5.658 11.357 9.007 1.00 28.38 H new ATOM 0 HE2 LYS A 115 -5.326 10.810 11.378 1.00 29.16 H new ATOM 0 HE3 LYS A 115 -6.994 10.538 10.913 1.00 29.16 H new ATOM 0 HZ1 LYS A 115 -5.965 8.744 12.280 1.00 29.75 H new ATOM 0 HZ2 LYS A 115 -6.640 8.207 10.818 1.00 29.75 H new ATOM 0 HZ3 LYS A 115 -4.957 8.374 10.965 1.00 29.75 H new ATOM 1772 N VAL A 116 -7.859 9.355 3.776 1.00 25.67 N ATOM 1773 CA VAL A 116 -7.748 9.703 2.364 1.00 25.69 C ATOM 1774 C VAL A 116 -8.777 10.745 1.955 1.00 26.53 C ATOM 1775 O VAL A 116 -9.817 10.893 2.596 1.00 26.78 O ATOM 1776 CB VAL A 116 -7.972 8.478 1.467 1.00 24.51 C ATOM 1777 CG1 VAL A 116 -6.835 7.482 1.582 1.00 23.77 C ATOM 1778 CG2 VAL A 116 -9.293 7.828 1.814 1.00 24.02 C ATOM 0 H VAL A 116 -8.815 9.198 4.096 1.00 25.67 H new ATOM 0 HA VAL A 116 -6.740 10.097 2.235 1.00 25.69 H new ATOM 0 HB VAL A 116 -7.998 8.814 0.430 1.00 24.51 H new ATOM 0 HG11 VAL A 116 -7.031 6.629 0.932 1.00 23.77 H new ATOM 0 HG12 VAL A 116 -5.902 7.959 1.283 1.00 23.77 H new ATOM 0 HG13 VAL A 116 -6.754 7.140 2.614 1.00 23.77 H new ATOM 0 HG21 VAL A 116 -9.449 6.959 1.176 1.00 24.02 H new ATOM 0 HG22 VAL A 116 -9.281 7.514 2.858 1.00 24.02 H new ATOM 0 HG23 VAL A 116 -10.102 8.542 1.659 1.00 24.02 H new ATOM 1788 N THR A 117 -8.474 11.463 0.881 1.00 27.04 N ATOM 1789 CA THR A 117 -9.387 12.461 0.358 1.00 27.90 C ATOM 1790 C THR A 117 -10.459 11.775 -0.478 1.00 27.38 C ATOM 1791 O THR A 117 -10.178 10.801 -1.177 1.00 26.61 O ATOM 1792 CB THR A 117 -8.655 13.504 -0.507 1.00 28.88 C ATOM 1793 OG1 THR A 117 -8.025 12.859 -1.621 1.00 28.45 O ATOM 1794 CG2 THR A 117 -7.610 14.248 0.310 1.00 29.54 C ATOM 0 H THR A 117 -7.603 11.370 0.358 1.00 27.04 H new ATOM 0 HA THR A 117 -9.839 12.981 1.203 1.00 27.90 H new ATOM 0 HB THR A 117 -9.389 14.223 -0.869 1.00 28.88 H new ATOM 0 HG1 THR A 117 -7.563 13.528 -2.168 1.00 28.45 H new ATOM 0 HG21 THR A 117 -7.106 14.979 -0.323 1.00 29.54 H new ATOM 0 HG22 THR A 117 -8.095 14.760 1.141 1.00 29.54 H new ATOM 0 HG23 THR A 117 -6.879 13.539 0.698 1.00 29.54 H new ATOM 1802 N ASP A 118 -11.684 12.276 -0.396 1.00 27.85 N ATOM 1803 CA ASP A 118 -12.800 11.697 -1.137 1.00 27.53 C ATOM 1804 C ASP A 118 -12.477 11.552 -2.624 1.00 27.56 C ATOM 1805 O ASP A 118 -13.140 10.800 -3.337 1.00 27.11 O ATOM 1806 CB ASP A 118 -14.051 12.562 -0.963 1.00 28.39 C ATOM 1807 CG ASP A 118 -14.495 12.656 0.484 1.00 28.44 C ATOM 1808 OD1 ASP A 118 -13.808 13.339 1.272 1.00 28.58 O ATOM 1809 OD2 ASP A 118 -15.529 12.045 0.829 1.00 28.40 O ATOM 0 H ASP A 118 -11.932 13.083 0.176 1.00 27.85 H new ATOM 0 HA ASP A 118 -12.982 10.701 -0.733 1.00 27.53 H new ATOM 0 HB2 ASP A 118 -13.852 13.564 -1.345 1.00 28.39 H new ATOM 0 HB3 ASP A 118 -14.862 12.148 -1.562 1.00 28.39 H new ATOM 1814 N GLU A 119 -11.450 12.260 -3.082 1.00 28.18 N ATOM 1815 CA GLU A 119 -11.062 12.223 -4.489 1.00 28.39 C ATOM 1816 C GLU A 119 -10.243 10.979 -4.842 1.00 27.39 C ATOM 1817 O GLU A 119 -10.609 10.234 -5.751 1.00 26.99 O ATOM 1818 CB GLU A 119 -10.268 13.481 -4.848 1.00 29.53 C ATOM 1819 CG GLU A 119 -11.075 14.763 -4.719 1.00 30.59 C ATOM 1820 CD GLU A 119 -10.298 15.987 -5.162 1.00 31.58 C ATOM 1821 OE1 GLU A 119 -10.349 16.319 -6.366 1.00 32.06 O ATOM 1822 OE2 GLU A 119 -9.640 16.614 -4.305 1.00 31.92 O ATOM 0 H GLU A 119 -10.871 12.866 -2.501 1.00 28.18 H new ATOM 0 HA GLU A 119 -11.983 12.183 -5.071 1.00 28.39 H new ATOM 0 HB2 GLU A 119 -9.392 13.545 -4.202 1.00 29.53 H new ATOM 0 HB3 GLU A 119 -9.903 13.392 -5.871 1.00 29.53 H new ATOM 0 HG2 GLU A 119 -11.983 14.678 -5.316 1.00 30.59 H new ATOM 0 HG3 GLU A 119 -11.386 14.890 -3.682 1.00 30.59 H new ATOM 1829 N GLU A 120 -9.140 10.755 -4.130 1.00 27.04 N ATOM 1830 CA GLU A 120 -8.271 9.613 -4.412 1.00 26.15 C ATOM 1831 C GLU A 120 -9.028 8.284 -4.418 1.00 24.97 C ATOM 1832 O GLU A 120 -8.770 7.427 -5.269 1.00 24.41 O ATOM 1833 CB GLU A 120 -7.095 9.570 -3.435 1.00 26.05 C ATOM 1834 CG GLU A 120 -7.486 9.444 -1.977 1.00 25.61 C ATOM 1835 CD GLU A 120 -6.275 9.463 -1.065 1.00 25.53 C ATOM 1836 OE1 GLU A 120 -5.577 8.431 -0.986 1.00 24.93 O ATOM 1837 OE2 GLU A 120 -6.022 10.511 -0.436 1.00 26.13 O ATOM 0 H GLU A 120 -8.828 11.345 -3.358 1.00 27.04 H new ATOM 0 HA GLU A 120 -7.881 9.754 -5.420 1.00 26.15 H new ATOM 0 HB2 GLU A 120 -6.452 8.730 -3.698 1.00 26.05 H new ATOM 0 HB3 GLU A 120 -6.503 10.476 -3.561 1.00 26.05 H new ATOM 0 HG2 GLU A 120 -8.156 10.261 -1.709 1.00 25.61 H new ATOM 0 HG3 GLU A 120 -8.039 8.516 -1.828 1.00 25.61 H new ATOM 1844 N ILE A 121 -9.966 8.105 -3.494 1.00 24.65 N ATOM 1845 CA ILE A 121 -10.729 6.862 -3.441 1.00 23.60 C ATOM 1846 C ILE A 121 -11.849 6.855 -4.475 1.00 23.80 C ATOM 1847 O ILE A 121 -12.159 5.811 -5.050 1.00 23.05 O ATOM 1848 CB ILE A 121 -11.306 6.591 -2.041 1.00 23.30 C ATOM 1849 CG1 ILE A 121 -12.214 7.736 -1.595 1.00 24.33 C ATOM 1850 CG2 ILE A 121 -10.173 6.374 -1.051 1.00 22.99 C ATOM 1851 CD1 ILE A 121 -12.771 7.566 -0.201 1.00 24.19 C ATOM 0 H ILE A 121 -10.214 8.792 -2.782 1.00 24.65 H new ATOM 0 HA ILE A 121 -10.028 6.061 -3.674 1.00 23.60 H new ATOM 0 HB ILE A 121 -11.914 5.687 -2.079 1.00 23.30 H new ATOM 0 HG12 ILE A 121 -11.654 8.670 -1.641 1.00 24.33 H new ATOM 0 HG13 ILE A 121 -13.042 7.826 -2.298 1.00 24.33 H new ATOM 0 HG21 ILE A 121 -10.587 6.182 -0.061 1.00 22.99 H new ATOM 0 HG22 ILE A 121 -9.574 5.520 -1.365 1.00 22.99 H new ATOM 0 HG23 ILE A 121 -9.545 7.264 -1.016 1.00 22.99 H new ATOM 0 HD11 ILE A 121 -13.405 8.418 0.044 1.00 24.19 H new ATOM 0 HD12 ILE A 121 -13.360 6.650 -0.154 1.00 24.19 H new ATOM 0 HD13 ILE A 121 -11.950 7.507 0.514 1.00 24.19 H new ATOM 1863 N ASP A 122 -12.458 8.016 -4.715 1.00 24.87 N ATOM 1864 CA ASP A 122 -13.521 8.111 -5.708 1.00 25.26 C ATOM 1865 C ASP A 122 -12.970 7.755 -7.083 1.00 25.13 C ATOM 1866 O ASP A 122 -13.684 7.235 -7.941 1.00 24.95 O ATOM 1867 CB ASP A 122 -14.120 9.519 -5.732 1.00 26.55 C ATOM 1868 CG ASP A 122 -15.227 9.662 -6.757 1.00 27.08 C ATOM 1869 OD1 ASP A 122 -14.917 9.968 -7.928 1.00 27.28 O ATOM 1870 OD2 ASP A 122 -16.405 9.467 -6.390 1.00 27.39 O ATOM 0 H ASP A 122 -12.236 8.892 -4.241 1.00 24.87 H new ATOM 0 HA ASP A 122 -14.311 7.409 -5.440 1.00 25.26 H new ATOM 0 HB2 ASP A 122 -14.511 9.761 -4.744 1.00 26.55 H new ATOM 0 HB3 ASP A 122 -13.333 10.241 -5.949 1.00 26.55 H new ATOM 1875 N GLU A 123 -11.684 8.040 -7.277 1.00 25.32 N ATOM 1876 CA GLU A 123 -11.015 7.746 -8.536 1.00 25.30 C ATOM 1877 C GLU A 123 -10.721 6.256 -8.645 1.00 24.05 C ATOM 1878 O GLU A 123 -10.882 5.660 -9.710 1.00 23.89 O ATOM 1879 CB GLU A 123 -9.717 8.548 -8.652 1.00 25.91 C ATOM 1880 CG GLU A 123 -9.937 10.044 -8.798 1.00 27.23 C ATOM 1881 CD GLU A 123 -10.701 10.401 -10.058 1.00 27.86 C ATOM 1882 OE1 GLU A 123 -10.055 10.598 -11.108 1.00 28.28 O ATOM 1883 OE2 GLU A 123 -11.944 10.485 -9.993 1.00 27.98 O ATOM 0 H GLU A 123 -11.086 8.475 -6.575 1.00 25.32 H new ATOM 0 HA GLU A 123 -11.677 8.033 -9.353 1.00 25.30 H new ATOM 0 HB2 GLU A 123 -9.106 8.364 -7.769 1.00 25.91 H new ATOM 0 HB3 GLU A 123 -9.152 8.187 -9.511 1.00 25.91 H new ATOM 0 HG2 GLU A 123 -10.483 10.414 -7.930 1.00 27.23 H new ATOM 0 HG3 GLU A 123 -8.972 10.550 -8.807 1.00 27.23 H new ATOM 1890 N MET A 124 -10.285 5.658 -7.537 1.00 23.22 N ATOM 1891 CA MET A 124 -9.985 4.234 -7.512 1.00 21.99 C ATOM 1892 C MET A 124 -11.226 3.424 -7.874 1.00 21.54 C ATOM 1893 O MET A 124 -11.131 2.343 -8.455 1.00 20.82 O ATOM 1894 CB MET A 124 -9.472 3.830 -6.129 1.00 21.32 C ATOM 1895 CG MET A 124 -9.372 2.328 -5.929 1.00 20.01 C ATOM 1896 SD MET A 124 -8.769 1.882 -4.289 1.00 19.35 S ATOM 1897 CE MET A 124 -10.054 2.579 -3.254 1.00 19.76 C ATOM 0 H MET A 124 -10.133 6.138 -6.650 1.00 23.22 H new ATOM 0 HA MET A 124 -9.209 4.026 -8.249 1.00 21.99 H new ATOM 0 HB2 MET A 124 -8.489 4.275 -5.972 1.00 21.32 H new ATOM 0 HB3 MET A 124 -10.135 4.245 -5.370 1.00 21.32 H new ATOM 0 HG2 MET A 124 -10.353 1.879 -6.085 1.00 20.01 H new ATOM 0 HG3 MET A 124 -8.706 1.909 -6.683 1.00 20.01 H new ATOM 0 HE1 MET A 124 -10.089 2.042 -2.306 1.00 19.76 H new ATOM 0 HE2 MET A 124 -9.840 3.631 -3.067 1.00 19.76 H new ATOM 0 HE3 MET A 124 -11.016 2.488 -3.758 1.00 19.76 H new ATOM 1907 N ILE A 125 -12.391 3.961 -7.525 1.00 22.08 N ATOM 1908 CA ILE A 125 -13.659 3.307 -7.814 1.00 21.89 C ATOM 1909 C ILE A 125 -14.032 3.476 -9.282 1.00 22.49 C ATOM 1910 O ILE A 125 -14.553 2.556 -9.910 1.00 22.09 O ATOM 1911 CB ILE A 125 -14.790 3.873 -6.931 1.00 22.46 C ATOM 1912 CG1 ILE A 125 -14.496 3.589 -5.456 1.00 21.89 C ATOM 1913 CG2 ILE A 125 -16.137 3.287 -7.336 1.00 22.55 C ATOM 1914 CD1 ILE A 125 -15.484 4.227 -4.504 1.00 22.55 C ATOM 0 H ILE A 125 -12.481 4.853 -7.039 1.00 22.08 H new ATOM 0 HA ILE A 125 -13.537 2.246 -7.594 1.00 21.89 H new ATOM 0 HB ILE A 125 -14.838 4.952 -7.075 1.00 22.46 H new ATOM 0 HG12 ILE A 125 -14.496 2.511 -5.296 1.00 21.89 H new ATOM 0 HG13 ILE A 125 -13.494 3.947 -5.219 1.00 21.89 H new ATOM 0 HG21 ILE A 125 -16.920 3.700 -6.700 1.00 22.55 H new ATOM 0 HG22 ILE A 125 -16.345 3.538 -8.376 1.00 22.55 H new ATOM 0 HG23 ILE A 125 -16.111 2.203 -7.222 1.00 22.55 H new ATOM 0 HD11 ILE A 125 -15.211 3.982 -3.478 1.00 22.55 H new ATOM 0 HD12 ILE A 125 -15.468 5.309 -4.635 1.00 22.55 H new ATOM 0 HD13 ILE A 125 -16.485 3.851 -4.713 1.00 22.55 H new ATOM 1926 N ARG A 126 -13.762 4.660 -9.820 1.00 23.53 N ATOM 1927 CA ARG A 126 -14.065 4.956 -11.216 1.00 24.28 C ATOM 1928 C ARG A 126 -13.172 4.147 -12.154 1.00 23.77 C ATOM 1929 O ARG A 126 -13.587 3.769 -13.249 1.00 23.91 O ATOM 1930 CB ARG A 126 -13.886 6.453 -11.486 1.00 25.52 C ATOM 1931 CG ARG A 126 -14.079 6.842 -12.942 1.00 26.44 C ATOM 1932 CD ARG A 126 -13.733 8.303 -13.179 1.00 27.30 C ATOM 1933 NE ARG A 126 -13.833 8.667 -14.590 1.00 28.16 N ATOM 1934 CZ ARG A 126 -13.079 9.597 -15.169 1.00 28.99 C ATOM 1935 NH1 ARG A 126 -12.171 10.256 -14.462 1.00 29.08 N ATOM 1936 NH2 ARG A 126 -13.232 9.867 -16.458 1.00 29.80 N ATOM 0 H ARG A 126 -13.333 5.432 -9.310 1.00 23.53 H new ATOM 0 HA ARG A 126 -15.102 4.677 -11.406 1.00 24.28 H new ATOM 0 HB2 ARG A 126 -14.595 7.010 -10.874 1.00 25.52 H new ATOM 0 HB3 ARG A 126 -12.887 6.753 -11.169 1.00 25.52 H new ATOM 0 HG2 ARG A 126 -13.453 6.212 -13.574 1.00 26.44 H new ATOM 0 HG3 ARG A 126 -15.113 6.660 -13.234 1.00 26.44 H new ATOM 0 HD2 ARG A 126 -14.402 8.934 -12.594 1.00 27.30 H new ATOM 0 HD3 ARG A 126 -12.721 8.498 -12.825 1.00 27.30 H new ATOM 0 HE ARG A 126 -14.521 8.180 -15.164 1.00 28.16 H new ATOM 0 HH11 ARG A 126 -12.049 10.050 -13.470 1.00 29.08 H new ATOM 0 HH12 ARG A 126 -11.595 10.969 -14.910 1.00 29.08 H new ATOM 0 HH21 ARG A 126 -13.928 9.361 -17.006 1.00 29.80 H new ATOM 0 HH22 ARG A 126 -12.654 10.580 -16.902 1.00 29.80 H new ATOM 1950 N GLU A 127 -11.945 3.883 -11.714 1.00 23.26 N ATOM 1951 CA GLU A 127 -10.987 3.128 -12.516 1.00 22.80 C ATOM 1952 C GLU A 127 -11.308 1.636 -12.515 1.00 21.68 C ATOM 1953 O GLU A 127 -11.097 0.948 -13.515 1.00 21.50 O ATOM 1954 CB GLU A 127 -9.567 3.352 -11.991 1.00 22.59 C ATOM 1955 CG GLU A 127 -9.061 4.771 -12.192 1.00 23.70 C ATOM 1956 CD GLU A 127 -7.631 4.952 -11.722 1.00 23.91 C ATOM 1957 OE1 GLU A 127 -7.434 5.288 -10.535 1.00 24.13 O ATOM 1958 OE2 GLU A 127 -6.707 4.758 -12.540 1.00 23.95 O ATOM 0 H GLU A 127 -11.590 4.181 -10.805 1.00 23.26 H new ATOM 0 HA GLU A 127 -11.057 3.489 -13.542 1.00 22.80 H new ATOM 0 HB2 GLU A 127 -9.540 3.113 -10.928 1.00 22.59 H new ATOM 0 HB3 GLU A 127 -8.890 2.659 -12.491 1.00 22.59 H new ATOM 0 HG2 GLU A 127 -9.128 5.030 -13.249 1.00 23.70 H new ATOM 0 HG3 GLU A 127 -9.707 5.463 -11.652 1.00 23.70 H new ATOM 1965 N ALA A 128 -11.818 1.140 -11.392 1.00 21.01 N ATOM 1966 CA ALA A 128 -12.155 -0.274 -11.264 1.00 19.97 C ATOM 1967 C ALA A 128 -13.537 -0.579 -11.828 1.00 20.40 C ATOM 1968 O ALA A 128 -13.769 -1.655 -12.378 1.00 19.88 O ATOM 1969 CB ALA A 128 -12.080 -0.700 -9.808 1.00 19.05 C ATOM 0 H ALA A 128 -12.007 1.696 -10.558 1.00 21.01 H new ATOM 0 HA ALA A 128 -11.428 -0.841 -11.845 1.00 19.97 H new ATOM 0 HB1 ALA A 128 -12.333 -1.757 -9.725 1.00 19.05 H new ATOM 0 HB2 ALA A 128 -11.069 -0.539 -9.433 1.00 19.05 H new ATOM 0 HB3 ALA A 128 -12.783 -0.111 -9.220 1.00 19.05 H new ATOM 1975 N ASP A 129 -14.452 0.371 -11.685 1.00 21.43 N ATOM 1976 CA ASP A 129 -15.814 0.200 -12.174 1.00 22.05 C ATOM 1977 C ASP A 129 -15.842 0.138 -13.697 1.00 22.75 C ATOM 1978 O ASP A 129 -15.754 1.165 -14.372 1.00 23.69 O ATOM 1979 CB ASP A 129 -16.700 1.340 -11.671 1.00 22.95 C ATOM 1980 CG ASP A 129 -18.079 1.326 -12.296 1.00 23.80 C ATOM 1981 OD1 ASP A 129 -18.665 0.229 -12.420 1.00 24.38 O ATOM 1982 OD2 ASP A 129 -18.576 2.412 -12.659 1.00 23.96 O ATOM 0 H ASP A 129 -14.276 1.269 -11.234 1.00 21.43 H new ATOM 0 HA ASP A 129 -16.201 -0.744 -11.790 1.00 22.05 H new ATOM 0 HB2 ASP A 129 -16.796 1.270 -10.587 1.00 22.95 H new ATOM 0 HB3 ASP A 129 -16.217 2.293 -11.887 1.00 22.95 H new ATOM 1987 N PHE A 130 -15.967 -1.073 -14.231 1.00 22.35 N ATOM 1988 CA PHE A 130 -16.002 -1.271 -15.678 1.00 23.04 C ATOM 1989 C PHE A 130 -17.428 -1.195 -16.216 1.00 24.02 C ATOM 1990 O PHE A 130 -17.697 -0.487 -17.188 1.00 25.05 O ATOM 1991 CB PHE A 130 -15.381 -2.620 -16.049 1.00 22.22 C ATOM 1992 CG PHE A 130 -13.916 -2.719 -15.731 1.00 21.35 C ATOM 1993 CD1 PHE A 130 -12.987 -1.978 -16.445 1.00 20.73 C ATOM 1994 CD2 PHE A 130 -13.467 -3.553 -14.718 1.00 21.23 C ATOM 1995 CE1 PHE A 130 -11.639 -2.067 -16.155 1.00 20.01 C ATOM 1996 CE2 PHE A 130 -12.120 -3.644 -14.424 1.00 20.51 C ATOM 1997 CZ PHE A 130 -11.204 -2.904 -15.144 1.00 19.90 C ATOM 0 H PHE A 130 -16.046 -1.931 -13.686 1.00 22.35 H new ATOM 0 HA PHE A 130 -15.421 -0.469 -16.134 1.00 23.04 H new ATOM 0 HB2 PHE A 130 -15.912 -3.412 -15.521 1.00 22.22 H new ATOM 0 HB3 PHE A 130 -15.525 -2.795 -17.115 1.00 22.22 H new ATOM 0 HD1 PHE A 130 -13.321 -1.324 -17.237 1.00 20.73 H new ATOM 0 HD2 PHE A 130 -14.178 -4.138 -14.153 1.00 21.23 H new ATOM 0 HE1 PHE A 130 -10.926 -1.483 -16.718 1.00 20.01 H new ATOM 0 HE2 PHE A 130 -11.784 -4.295 -13.630 1.00 20.51 H new ATOM 0 HZ PHE A 130 -10.150 -2.979 -14.918 1.00 19.90 H new ATOM 2007 N ASP A 131 -18.338 -1.929 -15.580 1.00 23.76 N ATOM 2008 CA ASP A 131 -19.736 -1.952 -16.002 1.00 24.71 C ATOM 2009 C ASP A 131 -20.342 -0.552 -15.994 1.00 25.78 C ATOM 2010 O ASP A 131 -21.257 -0.258 -16.765 1.00 26.78 O ATOM 2011 CB ASP A 131 -20.550 -2.878 -15.097 1.00 24.21 C ATOM 2012 CG ASP A 131 -20.656 -2.356 -13.677 1.00 23.32 C ATOM 2013 OD1 ASP A 131 -19.680 -2.510 -12.915 1.00 22.53 O ATOM 2014 OD2 ASP A 131 -21.715 -1.793 -13.328 1.00 23.46 O ATOM 0 H ASP A 131 -18.132 -2.515 -14.771 1.00 23.76 H new ATOM 0 HA ASP A 131 -19.768 -2.330 -17.024 1.00 24.71 H new ATOM 0 HB2 ASP A 131 -21.551 -2.999 -15.512 1.00 24.21 H new ATOM 0 HB3 ASP A 131 -20.089 -3.866 -15.084 1.00 24.21 H new ATOM 2019 N GLY A 132 -19.831 0.309 -15.119 1.00 25.60 N ATOM 2020 CA GLY A 132 -20.339 1.667 -15.032 1.00 26.62 C ATOM 2021 C GLY A 132 -21.622 1.755 -14.231 1.00 26.95 C ATOM 2022 O GLY A 132 -22.715 1.735 -14.796 1.00 27.86 O ATOM 0 H GLY A 132 -19.075 0.091 -14.469 1.00 25.60 H new ATOM 0 HA2 GLY A 132 -19.584 2.306 -14.574 1.00 26.62 H new ATOM 0 HA3 GLY A 132 -20.514 2.051 -16.037 1.00 26.62 H new ATOM 2026 N ASP A 133 -21.492 1.856 -12.911 1.00 26.26 N ATOM 2027 CA ASP A 133 -22.656 1.946 -12.036 1.00 26.58 C ATOM 2028 C ASP A 133 -22.332 2.730 -10.766 1.00 26.27 C ATOM 2029 O ASP A 133 -23.182 3.443 -10.234 1.00 26.65 O ATOM 2030 CB ASP A 133 -23.159 0.545 -11.676 1.00 26.12 C ATOM 2031 CG ASP A 133 -22.164 -0.234 -10.838 1.00 24.90 C ATOM 2032 OD1 ASP A 133 -20.979 -0.289 -11.227 1.00 24.55 O ATOM 2033 OD2 ASP A 133 -22.567 -0.784 -9.791 1.00 24.32 O ATOM 0 H ASP A 133 -20.595 1.877 -12.426 1.00 26.26 H new ATOM 0 HA ASP A 133 -23.440 2.479 -12.573 1.00 26.58 H new ATOM 0 HB2 ASP A 133 -24.100 0.629 -11.132 1.00 26.12 H new ATOM 0 HB3 ASP A 133 -23.369 -0.008 -12.591 1.00 26.12 H new ATOM 2038 N GLY A 134 -21.099 2.591 -10.285 1.00 25.66 N ATOM 2039 CA GLY A 134 -20.687 3.297 -9.084 1.00 25.42 C ATOM 2040 C GLY A 134 -20.506 2.371 -7.898 1.00 24.43 C ATOM 2041 O GLY A 134 -20.516 2.815 -6.748 1.00 24.42 O ATOM 0 H GLY A 134 -20.379 2.003 -10.705 1.00 25.66 H new ATOM 0 HA2 GLY A 134 -19.751 3.821 -9.278 1.00 25.42 H new ATOM 0 HA3 GLY A 134 -21.431 4.055 -8.839 1.00 25.42 H new ATOM 2045 N MET A 135 -20.340 1.082 -8.175 1.00 23.66 N ATOM 2046 CA MET A 135 -20.156 0.088 -7.123 1.00 22.72 C ATOM 2047 C MET A 135 -18.943 -0.786 -7.420 1.00 21.56 C ATOM 2048 O MET A 135 -18.594 -0.998 -8.581 1.00 21.55 O ATOM 2049 CB MET A 135 -21.404 -0.783 -6.989 1.00 23.01 C ATOM 2050 CG MET A 135 -22.690 0.012 -6.823 1.00 24.25 C ATOM 2051 SD MET A 135 -22.726 0.965 -5.293 1.00 24.43 S ATOM 2052 CE MET A 135 -22.716 -0.347 -4.075 1.00 23.79 C ATOM 0 H MET A 135 -20.329 0.700 -9.121 1.00 23.66 H new ATOM 0 HA MET A 135 -19.989 0.613 -6.182 1.00 22.72 H new ATOM 0 HB2 MET A 135 -21.490 -1.417 -7.872 1.00 23.01 H new ATOM 0 HB3 MET A 135 -21.284 -1.445 -6.132 1.00 23.01 H new ATOM 0 HG2 MET A 135 -22.806 0.688 -7.670 1.00 24.25 H new ATOM 0 HG3 MET A 135 -23.539 -0.671 -6.841 1.00 24.25 H new ATOM 0 HE1 MET A 135 -23.052 0.045 -3.115 1.00 23.79 H new ATOM 0 HE2 MET A 135 -23.385 -1.146 -4.395 1.00 23.79 H new ATOM 0 HE3 MET A 135 -21.705 -0.740 -3.972 1.00 23.79 H new ATOM 2062 N ILE A 136 -18.308 -1.299 -6.368 1.00 20.64 N ATOM 2063 CA ILE A 136 -17.133 -2.148 -6.530 1.00 19.48 C ATOM 2064 C ILE A 136 -17.397 -3.572 -6.057 1.00 18.80 C ATOM 2065 O ILE A 136 -17.911 -3.789 -4.964 1.00 18.85 O ATOM 2066 CB ILE A 136 -15.917 -1.605 -5.754 1.00 18.91 C ATOM 2067 CG1 ILE A 136 -15.558 -0.191 -6.227 1.00 19.65 C ATOM 2068 CG2 ILE A 136 -14.729 -2.550 -5.910 1.00 17.71 C ATOM 2069 CD1 ILE A 136 -15.076 -0.124 -7.662 1.00 19.77 C ATOM 0 H ILE A 136 -18.587 -1.142 -5.400 1.00 20.64 H new ATOM 0 HA ILE A 136 -16.914 -2.148 -7.598 1.00 19.48 H new ATOM 0 HB ILE A 136 -16.176 -1.548 -4.697 1.00 18.91 H new ATOM 0 HG12 ILE A 136 -16.433 0.450 -6.118 1.00 19.65 H new ATOM 0 HG13 ILE A 136 -14.783 0.213 -5.575 1.00 19.65 H new ATOM 0 HG21 ILE A 136 -13.876 -2.156 -5.358 1.00 17.71 H new ATOM 0 HG22 ILE A 136 -14.992 -3.533 -5.519 1.00 17.71 H new ATOM 0 HG23 ILE A 136 -14.469 -2.637 -6.965 1.00 17.71 H new ATOM 0 HD11 ILE A 136 -14.843 0.909 -7.920 1.00 19.77 H new ATOM 0 HD12 ILE A 136 -14.182 -0.737 -7.774 1.00 19.77 H new ATOM 0 HD13 ILE A 136 -15.856 -0.496 -8.326 1.00 19.77 H new ATOM 2081 N ASN A 137 -17.022 -4.530 -6.891 1.00 18.27 N ATOM 2082 CA ASN A 137 -17.190 -5.942 -6.577 1.00 17.67 C ATOM 2083 C ASN A 137 -15.822 -6.604 -6.447 1.00 16.40 C ATOM 2084 O ASN A 137 -14.840 -6.080 -6.968 1.00 16.12 O ATOM 2085 CB ASN A 137 -18.013 -6.639 -7.663 1.00 18.25 C ATOM 2086 CG ASN A 137 -18.164 -8.125 -7.411 1.00 18.20 C ATOM 2087 OD1 ASN A 137 -17.351 -8.930 -7.864 1.00 18.03 O ATOM 2088 ND2 ASN A 137 -19.210 -8.498 -6.682 1.00 18.49 N ATOM 0 H ASN A 137 -16.595 -4.353 -7.800 1.00 18.27 H new ATOM 0 HA ASN A 137 -17.724 -6.032 -5.631 1.00 17.67 H new ATOM 0 HB2 ASN A 137 -19.000 -6.181 -7.717 1.00 18.25 H new ATOM 0 HB3 ASN A 137 -17.537 -6.484 -8.631 1.00 18.25 H new ATOM 0 HD21 ASN A 137 -19.363 -9.486 -6.478 1.00 18.49 H new ATOM 0 HD22 ASN A 137 -19.860 -7.797 -6.326 1.00 18.49 H new ATOM 2095 N TYR A 138 -15.751 -7.725 -5.729 1.00 15.73 N ATOM 2096 CA TYR A 138 -14.488 -8.444 -5.548 1.00 14.51 C ATOM 2097 C TYR A 138 -13.662 -8.469 -6.839 1.00 14.21 C ATOM 2098 O TYR A 138 -12.440 -8.610 -6.801 1.00 13.35 O ATOM 2099 CB TYR A 138 -14.763 -9.875 -5.071 1.00 14.11 C ATOM 2100 CG TYR A 138 -13.549 -10.779 -5.102 1.00 12.93 C ATOM 2101 CD1 TYR A 138 -12.452 -10.524 -4.288 1.00 12.24 C ATOM 2102 CD2 TYR A 138 -13.502 -11.886 -5.939 1.00 12.60 C ATOM 2103 CE1 TYR A 138 -11.343 -11.347 -4.309 1.00 11.18 C ATOM 2104 CE2 TYR A 138 -12.396 -12.715 -5.965 1.00 11.56 C ATOM 2105 CZ TYR A 138 -11.318 -12.440 -5.168 1.00 10.81 C ATOM 2106 OH TYR A 138 -10.216 -13.263 -5.171 1.00 9.80 O ATOM 0 H TYR A 138 -16.551 -8.155 -5.264 1.00 15.73 H new ATOM 0 HA TYR A 138 -13.908 -7.915 -4.792 1.00 14.51 H new ATOM 0 HB2 TYR A 138 -15.151 -9.839 -4.053 1.00 14.11 H new ATOM 0 HB3 TYR A 138 -15.544 -10.311 -5.694 1.00 14.11 H new ATOM 0 HD1 TYR A 138 -12.467 -9.669 -3.629 1.00 12.24 H new ATOM 0 HD2 TYR A 138 -14.343 -12.103 -6.580 1.00 12.60 H new ATOM 0 HE1 TYR A 138 -10.502 -11.143 -3.663 1.00 11.18 H new ATOM 0 HE2 TYR A 138 -12.383 -13.579 -6.613 1.00 11.56 H new ATOM 0 HH TYR A 138 -10.347 -13.983 -5.823 1.00 9.80 H new ATOM 2116 N GLU A 139 -14.332 -8.309 -7.978 1.00 15.05 N ATOM 2117 CA GLU A 139 -13.654 -8.319 -9.268 1.00 15.05 C ATOM 2118 C GLU A 139 -12.972 -6.979 -9.538 1.00 15.40 C ATOM 2119 O GLU A 139 -11.766 -6.930 -9.786 1.00 14.88 O ATOM 2120 CB GLU A 139 -14.644 -8.637 -10.388 1.00 16.02 C ATOM 2121 CG GLU A 139 -15.235 -10.030 -10.295 1.00 15.89 C ATOM 2122 CD GLU A 139 -16.090 -10.382 -11.497 1.00 16.64 C ATOM 2123 OE1 GLU A 139 -15.527 -10.852 -12.507 1.00 16.91 O ATOM 2124 OE2 GLU A 139 -17.322 -10.185 -11.427 1.00 17.06 O ATOM 0 H GLU A 139 -15.341 -8.171 -8.032 1.00 15.05 H new ATOM 0 HA GLU A 139 -12.889 -9.095 -9.240 1.00 15.05 H new ATOM 0 HB2 GLU A 139 -15.452 -7.906 -10.366 1.00 16.02 H new ATOM 0 HB3 GLU A 139 -14.141 -8.528 -11.349 1.00 16.02 H new ATOM 0 HG2 GLU A 139 -14.429 -10.757 -10.202 1.00 15.89 H new ATOM 0 HG3 GLU A 139 -15.838 -10.105 -9.390 1.00 15.89 H new ATOM 2131 N GLU A 140 -13.745 -5.894 -9.488 1.00 16.39 N ATOM 2132 CA GLU A 140 -13.186 -4.566 -9.721 1.00 16.95 C ATOM 2133 C GLU A 140 -12.145 -4.255 -8.659 1.00 16.22 C ATOM 2134 O GLU A 140 -11.138 -3.601 -8.928 1.00 16.37 O ATOM 2135 CB GLU A 140 -14.269 -3.482 -9.691 1.00 18.12 C ATOM 2136 CG GLU A 140 -15.651 -3.958 -10.117 1.00 18.79 C ATOM 2137 CD GLU A 140 -16.529 -2.823 -10.602 1.00 20.10 C ATOM 2138 OE1 GLU A 140 -16.602 -1.787 -9.907 1.00 20.52 O ATOM 2139 OE2 GLU A 140 -17.147 -2.970 -11.675 1.00 20.75 O ATOM 0 H GLU A 140 -14.746 -5.908 -9.291 1.00 16.39 H new ATOM 0 HA GLU A 140 -12.730 -4.568 -10.711 1.00 16.95 H new ATOM 0 HB2 GLU A 140 -14.333 -3.078 -8.681 1.00 18.12 H new ATOM 0 HB3 GLU A 140 -13.964 -2.663 -10.343 1.00 18.12 H new ATOM 0 HG2 GLU A 140 -15.549 -4.699 -10.910 1.00 18.79 H new ATOM 0 HG3 GLU A 140 -16.136 -4.455 -9.277 1.00 18.79 H new ATOM 2146 N PHE A 141 -12.400 -4.735 -7.447 1.00 15.58 N ATOM 2147 CA PHE A 141 -11.496 -4.513 -6.334 1.00 14.98 C ATOM 2148 C PHE A 141 -10.137 -5.144 -6.606 1.00 14.05 C ATOM 2149 O PHE A 141 -9.112 -4.469 -6.556 1.00 14.12 O ATOM 2150 CB PHE A 141 -12.082 -5.089 -5.041 1.00 14.62 C ATOM 2151 CG PHE A 141 -11.201 -4.845 -3.854 1.00 14.16 C ATOM 2152 CD1 PHE A 141 -10.137 -5.687 -3.582 1.00 13.21 C ATOM 2153 CD2 PHE A 141 -11.418 -3.757 -3.028 1.00 14.81 C ATOM 2154 CE1 PHE A 141 -9.304 -5.447 -2.513 1.00 12.98 C ATOM 2155 CE2 PHE A 141 -10.593 -3.515 -1.952 1.00 14.61 C ATOM 2156 CZ PHE A 141 -9.533 -4.359 -1.695 1.00 13.73 C ATOM 0 H PHE A 141 -13.229 -5.282 -7.214 1.00 15.58 H new ATOM 0 HA PHE A 141 -11.367 -3.437 -6.218 1.00 14.98 H new ATOM 0 HB2 PHE A 141 -13.061 -4.645 -4.860 1.00 14.62 H new ATOM 0 HB3 PHE A 141 -12.235 -6.161 -5.161 1.00 14.62 H new ATOM 0 HD1 PHE A 141 -9.958 -6.543 -4.216 1.00 13.21 H new ATOM 0 HD2 PHE A 141 -12.243 -3.090 -3.229 1.00 14.81 H new ATOM 0 HE1 PHE A 141 -8.473 -6.108 -2.315 1.00 12.98 H new ATOM 0 HE2 PHE A 141 -10.776 -2.666 -1.311 1.00 14.61 H new ATOM 0 HZ PHE A 141 -8.882 -4.169 -0.854 1.00 13.73 H new ATOM 2166 N VAL A 142 -10.139 -6.444 -6.887 1.00 13.29 N ATOM 2167 CA VAL A 142 -8.906 -7.170 -7.169 1.00 12.40 C ATOM 2168 C VAL A 142 -8.079 -6.459 -8.234 1.00 12.96 C ATOM 2169 O VAL A 142 -6.850 -6.429 -8.165 1.00 12.60 O ATOM 2170 CB VAL A 142 -9.202 -8.618 -7.621 1.00 11.84 C ATOM 2171 CG1 VAL A 142 -8.028 -9.209 -8.391 1.00 11.29 C ATOM 2172 CG2 VAL A 142 -9.536 -9.482 -6.416 1.00 11.16 C ATOM 0 H VAL A 142 -10.982 -7.016 -6.925 1.00 13.29 H new ATOM 0 HA VAL A 142 -8.332 -7.202 -6.243 1.00 12.40 H new ATOM 0 HB VAL A 142 -10.061 -8.595 -8.292 1.00 11.84 H new ATOM 0 HG11 VAL A 142 -8.268 -10.228 -8.695 1.00 11.29 H new ATOM 0 HG12 VAL A 142 -7.831 -8.603 -9.276 1.00 11.29 H new ATOM 0 HG13 VAL A 142 -7.143 -9.219 -7.754 1.00 11.29 H new ATOM 0 HG21 VAL A 142 -9.743 -10.500 -6.745 1.00 11.16 H new ATOM 0 HG22 VAL A 142 -8.691 -9.488 -5.727 1.00 11.16 H new ATOM 0 HG23 VAL A 142 -10.413 -9.078 -5.911 1.00 11.16 H new ATOM 2182 N TRP A 143 -8.760 -5.881 -9.214 1.00 13.99 N ATOM 2183 CA TRP A 143 -8.084 -5.177 -10.293 1.00 14.75 C ATOM 2184 C TRP A 143 -7.442 -3.876 -9.810 1.00 15.22 C ATOM 2185 O TRP A 143 -6.285 -3.603 -10.117 1.00 15.27 O ATOM 2186 CB TRP A 143 -9.063 -4.871 -11.430 1.00 15.86 C ATOM 2187 CG TRP A 143 -8.450 -4.064 -12.530 1.00 16.76 C ATOM 2188 CD1 TRP A 143 -7.826 -4.524 -13.655 1.00 16.94 C ATOM 2189 CD2 TRP A 143 -8.396 -2.644 -12.593 1.00 17.71 C ATOM 2190 NE1 TRP A 143 -7.386 -3.463 -14.413 1.00 17.96 N ATOM 2191 CE2 TRP A 143 -7.725 -2.295 -13.776 1.00 18.43 C ATOM 2192 CE3 TRP A 143 -8.854 -1.636 -11.751 1.00 18.11 C ATOM 2193 CZ2 TRP A 143 -7.502 -0.969 -14.138 1.00 19.50 C ATOM 2194 CZ3 TRP A 143 -8.635 -0.321 -12.105 1.00 19.15 C ATOM 2195 CH2 TRP A 143 -7.964 0.004 -13.289 1.00 19.83 C ATOM 0 H TRP A 143 -9.778 -5.886 -9.283 1.00 13.99 H new ATOM 0 HA TRP A 143 -7.293 -5.832 -10.657 1.00 14.75 H new ATOM 0 HB2 TRP A 143 -9.438 -5.808 -11.841 1.00 15.86 H new ATOM 0 HB3 TRP A 143 -9.921 -4.333 -11.028 1.00 15.86 H new ATOM 0 HD1 TRP A 143 -7.697 -5.565 -13.911 1.00 16.94 H new ATOM 0 HE1 TRP A 143 -6.890 -3.533 -15.301 1.00 17.96 H new ATOM 0 HE3 TRP A 143 -9.372 -1.879 -10.835 1.00 18.11 H new ATOM 0 HZ2 TRP A 143 -6.985 -0.717 -15.052 1.00 19.50 H new ATOM 0 HZ3 TRP A 143 -8.987 0.470 -11.459 1.00 19.15 H new ATOM 0 HH2 TRP A 143 -7.807 1.043 -13.540 1.00 19.83 H new ATOM 2206 N MET A 144 -8.192 -3.081 -9.049 1.00 15.69 N ATOM 2207 CA MET A 144 -7.692 -1.793 -8.571 1.00 16.33 C ATOM 2208 C MET A 144 -6.661 -1.936 -7.454 1.00 15.63 C ATOM 2209 O MET A 144 -5.829 -1.049 -7.260 1.00 16.10 O ATOM 2210 CB MET A 144 -8.852 -0.906 -8.113 1.00 17.12 C ATOM 2211 CG MET A 144 -9.653 -1.474 -6.952 1.00 16.59 C ATOM 2212 SD MET A 144 -11.157 -0.530 -6.635 1.00 17.69 S ATOM 2213 CE MET A 144 -11.549 -1.063 -4.974 1.00 17.05 C ATOM 0 H MET A 144 -9.142 -3.304 -8.752 1.00 15.69 H new ATOM 0 HA MET A 144 -7.184 -1.321 -9.412 1.00 16.33 H new ATOM 0 HB2 MET A 144 -8.457 0.068 -7.825 1.00 17.12 H new ATOM 0 HB3 MET A 144 -9.523 -0.741 -8.956 1.00 17.12 H new ATOM 0 HG2 MET A 144 -9.915 -2.510 -7.166 1.00 16.59 H new ATOM 0 HG3 MET A 144 -9.034 -1.480 -6.055 1.00 16.59 H new ATOM 0 HE1 MET A 144 -12.157 -0.304 -4.482 1.00 17.05 H new ATOM 0 HE2 MET A 144 -12.103 -2.001 -5.014 1.00 17.05 H new ATOM 0 HE3 MET A 144 -10.627 -1.210 -4.412 1.00 17.05 H new ATOM 2223 N ILE A 145 -6.709 -3.041 -6.719 1.00 14.62 N ATOM 2224 CA ILE A 145 -5.758 -3.258 -5.635 1.00 14.03 C ATOM 2225 C ILE A 145 -4.426 -3.758 -6.178 1.00 13.62 C ATOM 2226 O ILE A 145 -3.367 -3.474 -5.618 1.00 13.74 O ATOM 2227 CB ILE A 145 -6.284 -4.256 -4.589 1.00 13.14 C ATOM 2228 CG1 ILE A 145 -5.264 -4.411 -3.461 1.00 12.79 C ATOM 2229 CG2 ILE A 145 -6.576 -5.601 -5.232 1.00 12.26 C ATOM 2230 CD1 ILE A 145 -5.839 -5.009 -2.197 1.00 12.37 C ATOM 0 H ILE A 145 -7.387 -3.792 -6.851 1.00 14.62 H new ATOM 0 HA ILE A 145 -5.619 -2.294 -5.146 1.00 14.03 H new ATOM 0 HB ILE A 145 -7.215 -3.871 -4.173 1.00 13.14 H new ATOM 0 HG12 ILE A 145 -4.444 -5.039 -3.809 1.00 12.79 H new ATOM 0 HG13 ILE A 145 -4.841 -3.434 -3.230 1.00 12.79 H new ATOM 0 HG21 ILE A 145 -6.947 -6.293 -4.476 1.00 12.26 H new ATOM 0 HG22 ILE A 145 -7.329 -5.476 -6.010 1.00 12.26 H new ATOM 0 HG23 ILE A 145 -5.662 -6.000 -5.672 1.00 12.26 H new ATOM 0 HD11 ILE A 145 -5.056 -5.088 -1.443 1.00 12.37 H new ATOM 0 HD12 ILE A 145 -6.639 -4.370 -1.824 1.00 12.37 H new ATOM 0 HD13 ILE A 145 -6.237 -6.001 -2.412 1.00 12.37 H new ATOM 2242 N SER A 146 -4.488 -4.508 -7.272 1.00 13.30 N ATOM 2243 CA SER A 146 -3.285 -5.036 -7.901 1.00 13.04 C ATOM 2244 C SER A 146 -2.438 -3.891 -8.438 1.00 14.17 C ATOM 2245 O SER A 146 -1.263 -4.065 -8.764 1.00 14.26 O ATOM 2246 CB SER A 146 -3.648 -6.001 -9.030 1.00 12.74 C ATOM 2247 OG SER A 146 -4.290 -7.158 -8.524 1.00 12.48 O ATOM 0 H SER A 146 -5.357 -4.763 -7.741 1.00 13.30 H new ATOM 0 HA SER A 146 -2.711 -5.584 -7.154 1.00 13.04 H new ATOM 0 HB2 SER A 146 -4.302 -5.501 -9.744 1.00 12.74 H new ATOM 0 HB3 SER A 146 -2.746 -6.289 -9.571 1.00 12.74 H new ATOM 0 HG SER A 146 -5.191 -6.924 -8.217 1.00 12.48 H new ATOM 2253 N GLN A 147 -3.055 -2.715 -8.525 1.00 15.13 N ATOM 2254 CA GLN A 147 -2.380 -1.520 -9.010 1.00 16.31 C ATOM 2255 C GLN A 147 -1.564 -0.883 -7.893 1.00 16.62 C ATOM 2256 O GLN A 147 -0.639 -0.110 -8.144 1.00 17.39 O ATOM 2257 CB GLN A 147 -3.410 -0.522 -9.539 1.00 17.27 C ATOM 2258 CG GLN A 147 -4.472 -1.163 -10.413 1.00 17.07 C ATOM 2259 CD GLN A 147 -3.900 -1.731 -11.698 1.00 17.24 C ATOM 2260 OE1 GLN A 147 -2.905 -1.231 -12.224 1.00 17.61 O ATOM 2261 NE2 GLN A 147 -4.527 -2.784 -12.211 1.00 17.09 N ATOM 0 H GLN A 147 -4.030 -2.567 -8.263 1.00 15.13 H new ATOM 0 HA GLN A 147 -1.705 -1.801 -9.818 1.00 16.31 H new ATOM 0 HB2 GLN A 147 -3.893 -0.027 -8.696 1.00 17.27 H new ATOM 0 HB3 GLN A 147 -2.897 0.251 -10.111 1.00 17.27 H new ATOM 0 HG2 GLN A 147 -4.965 -1.959 -9.855 1.00 17.07 H new ATOM 0 HG3 GLN A 147 -5.235 -0.423 -10.654 1.00 17.07 H new ATOM 0 HE21 GLN A 147 -5.348 -3.167 -11.742 1.00 17.09 H new ATOM 0 HE22 GLN A 147 -4.187 -3.210 -13.073 1.00 17.09 H new ATOM 2270 N LYS A 148 -1.919 -1.217 -6.656 1.00 16.13 N ATOM 2271 CA LYS A 148 -1.227 -0.688 -5.488 1.00 16.53 C ATOM 2272 C LYS A 148 0.083 -1.435 -5.251 1.00 16.32 C ATOM 2273 O LYS A 148 1.095 -1.071 -5.886 1.00 16.11 O ATOM 2274 CB LYS A 148 -2.121 -0.792 -4.253 1.00 16.16 C ATOM 2275 CG LYS A 148 -3.433 -0.034 -4.385 1.00 16.47 C ATOM 2276 CD LYS A 148 -4.333 -0.259 -3.181 1.00 16.26 C ATOM 2277 CE LYS A 148 -5.631 0.523 -3.302 1.00 16.41 C ATOM 2278 NZ LYS A 148 -5.392 1.992 -3.362 1.00 16.72 N ATOM 2279 OXT LYS A 148 0.086 -2.379 -4.433 1.00 16.50 O ATOM 0 H LYS A 148 -2.685 -1.854 -6.437 1.00 16.13 H new ATOM 0 HA LYS A 148 -0.997 0.361 -5.672 1.00 16.53 H new ATOM 0 HB2 LYS A 148 -2.336 -1.843 -4.058 1.00 16.16 H new ATOM 0 HB3 LYS A 148 -1.577 -0.412 -3.388 1.00 16.16 H new ATOM 0 HG2 LYS A 148 -3.229 1.031 -4.493 1.00 16.47 H new ATOM 0 HG3 LYS A 148 -3.949 -0.354 -5.290 1.00 16.47 H new ATOM 0 HD2 LYS A 148 -4.555 -1.322 -3.085 1.00 16.26 H new ATOM 0 HD3 LYS A 148 -3.810 0.041 -2.273 1.00 16.26 H new ATOM 0 HE2 LYS A 148 -6.164 0.205 -4.198 1.00 16.41 H new ATOM 0 HE3 LYS A 148 -6.273 0.294 -2.451 1.00 16.41 H new ATOM 0 HZ1 LYS A 148 -6.291 2.496 -3.223 1.00 16.72 H new ATOM 0 HZ2 LYS A 148 -4.722 2.266 -2.615 1.00 16.72 H new ATOM 0 HZ3 LYS A 148 -4.996 2.242 -4.291 1.00 16.72 H new