USER MOD reduce.3.24.130724 H: found=0, std=0, add=1083, rem=0, adj=29 USER MOD reduce.3.24.130724 removed 1084 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 135 GLN : amide:sc= 0 X(o=-1.4,f=-1.4) USER MOD Set 1.2: A 137 ASN : amide:sc= -1.4 K(o=-1.4,f=-5.6!) USER MOD Set 2.1: A 71 MET CE :methyl 167:sc= -1.57! (180deg=-1.88!) USER MOD Set 2.2: A 72 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Set 3.1: A 5 THR OG1 : rot -87:sc= -0.0519 USER MOD Set 3.2: A 8 GLN : amide:sc= -7.53! C(o=-7.6!,f=-16!) USER MOD Single : A 3 GLN :FLIP amide:sc= -0.283 F(o=-1.4!,f=-0.28) USER MOD Single : A 13 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 17 SER OG : rot -52:sc= 0.929 USER MOD Single : A 21 LYS NZ :NH3+ 128:sc= -0.69! (180deg=-1.78) USER MOD Single : A 26 THR OG1 : rot 180:sc= 0 USER MOD Single : A 28 THR OG1 : rot 180:sc= 0.0397 USER MOD Single : A 29 THR OG1 : rot 180:sc= -1.3 USER MOD Single : A 30 LYS NZ :NH3+ -167:sc= 0 (180deg=-0.127) USER MOD Single : A 34 THR OG1 : rot 98:sc= 1.23 USER MOD Single : A 36 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 38 SER OG : rot 180:sc= 0 USER MOD Single : A 41 GLN : amide:sc= -0.142 K(o=-0.14,f=-5!) USER MOD Single : A 42 ASN : amide:sc= -0.0131 X(o=-0.013,f=-0.013) USER MOD Single : A 44 THR OG1 : rot 180:sc= -0.944 USER MOD Single : A 49 GLN : amide:sc= -0.25 K(o=-0.25,f=-3.4!) USER MOD Single : A 51 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 53 ASN : amide:sc= -0.436 K(o=-0.44,f=-4!) USER MOD Single : A 62 THR OG1 : rot 180:sc= 0 USER MOD Single : A 70 THR OG1 : rot 180:sc= 0 USER MOD Single : A 75 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 76 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 77 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 79 THR OG1 : rot 180:sc= -0.0905 USER MOD Single : A 81 SER OG : rot 180:sc= 0 USER MOD Single : A 94 LYS NZ :NH3+ -174:sc= 0 (180deg=-0.0514) USER MOD Single : A 97 ASN : amide:sc= -17.9! C(o=-18!,f=-30!) USER MOD Single : A 99 TYR OH : rot 180:sc= 0 USER MOD Single : A 101 SER OG : rot 180:sc= 0 USER MOD Single : A 107 HIS :FLIP no HE2:sc= 0.0646 F(o=-0.57,f=0.065) USER MOD Single : A 109 MET CE :methyl 174:sc= 0 (180deg=-0.0332) USER MOD Single : A 110 THR OG1 : rot 95:sc= 0.447! USER MOD Single : A 111 ASN : amide:sc=-0.00917 X(o=-0.0092,f=-0.25) USER MOD Single : A 115 LYS NZ :NH3+ -152:sc= -0.364 (180deg=-1.54!) USER MOD Single : A 117 THR OG1 : rot 180:sc= 0.00777 USER MOD Single : A 124 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 138 TYR OH : rot 180:sc= 0 USER MOD Single : A 143 GLN :FLIP amide:sc= -0.494 F(o=-1.2,f=-0.49) USER MOD Single : A 144 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 145 MET CE :methyl 162:sc=-0.00542 (180deg=-0.652) USER MOD Single : A 146 THR OG1 : rot 5:sc= 0.537 USER MOD Single : A 148 LYS NZ :NH3+ -177:sc= 0 (180deg=-0.00598) USER MOD ----------------------------------------------------------------- ATOM 1 N GLN A 3 49.569 -14.199 15.045 1.00 20.16 N ATOM 2 CA GLN A 3 50.221 -15.229 14.246 1.00 19.97 C ATOM 3 C GLN A 3 50.096 -14.914 12.759 1.00 17.59 C ATOM 4 O GLN A 3 49.238 -15.463 12.068 1.00 19.14 O ATOM 5 CB GLN A 3 49.589 -16.592 14.535 1.00 20.20 C ATOM 6 CG GLN A 3 49.677 -16.890 16.033 1.00 23.46 C ATOM 7 CD GLN A 3 48.314 -17.325 16.560 1.00 22.58 C ATOM 8 OE1 GLN A 3 47.454 -17.872 15.744 1.00 23.20 O flip ATOM 9 NE2 GLN A 3 48.023 -17.160 17.744 1.00 23.18 N flip ATOM 0 HA GLN A 3 51.278 -15.254 14.513 1.00 19.97 H new ATOM 0 HB2 GLN A 3 48.548 -16.597 14.213 1.00 20.20 H new ATOM 0 HB3 GLN A 3 50.101 -17.369 13.968 1.00 20.20 H new ATOM 0 HG2 GLN A 3 50.413 -17.674 16.213 1.00 23.46 H new ATOM 0 HG3 GLN A 3 50.017 -16.004 16.569 1.00 23.46 H new ATOM 0 HE21 GLN A 3 48.696 -16.732 18.380 1.00 23.18 H new ATOM 0 HE22 GLN A 3 47.108 -17.451 18.090 1.00 23.18 H new ATOM 18 N LEU A 4 50.957 -14.025 12.273 1.00 13.49 N ATOM 19 CA LEU A 4 50.932 -13.644 10.865 1.00 12.54 C ATOM 20 C LEU A 4 51.871 -14.531 10.053 1.00 9.75 C ATOM 21 O LEU A 4 53.042 -14.692 10.396 1.00 11.53 O ATOM 22 CB LEU A 4 51.352 -12.181 10.711 1.00 12.03 C ATOM 23 CG LEU A 4 50.487 -11.299 11.615 1.00 14.38 C ATOM 24 CD1 LEU A 4 49.020 -11.711 11.478 1.00 12.06 C ATOM 25 CD2 LEU A 4 50.928 -11.468 13.071 1.00 13.89 C ATOM 0 H LEU A 4 51.675 -13.559 12.828 1.00 13.49 H new ATOM 0 HA LEU A 4 49.916 -13.771 10.493 1.00 12.54 H new ATOM 0 HB2 LEU A 4 52.404 -12.065 10.972 1.00 12.03 H new ATOM 0 HB3 LEU A 4 51.245 -11.869 9.672 1.00 12.03 H new ATOM 0 HG LEU A 4 50.602 -10.256 11.319 1.00 14.38 H new ATOM 0 HD11 LEU A 4 48.404 -11.083 12.122 1.00 12.06 H new ATOM 0 HD12 LEU A 4 48.703 -11.590 10.442 1.00 12.06 H new ATOM 0 HD13 LEU A 4 48.906 -12.754 11.772 1.00 12.06 H new ATOM 0 HD21 LEU A 4 50.311 -10.839 13.713 1.00 13.89 H new ATOM 0 HD22 LEU A 4 50.814 -12.511 13.367 1.00 13.89 H new ATOM 0 HD23 LEU A 4 51.973 -11.174 13.171 1.00 13.89 H new ATOM 37 N THR A 5 51.348 -15.103 8.973 1.00 7.34 N ATOM 38 CA THR A 5 52.150 -15.970 8.117 1.00 2.31 C ATOM 39 C THR A 5 53.061 -15.138 7.220 1.00 2.00 C ATOM 40 O THR A 5 52.918 -13.919 7.135 1.00 2.00 O ATOM 41 CB THR A 5 51.236 -16.842 7.253 1.00 2.00 C ATOM 42 OG1 THR A 5 50.901 -16.141 6.063 1.00 2.35 O ATOM 43 CG2 THR A 5 49.960 -17.174 8.028 1.00 2.65 C ATOM 0 H THR A 5 50.381 -14.983 8.672 1.00 7.34 H new ATOM 0 HA THR A 5 52.766 -16.608 8.751 1.00 2.31 H new ATOM 0 HB THR A 5 51.753 -17.767 6.997 1.00 2.00 H new ATOM 0 HG1 THR A 5 50.113 -15.581 6.224 1.00 2.35 H new ATOM 0 HG21 THR A 5 49.311 -17.795 7.411 1.00 2.65 H new ATOM 0 HG22 THR A 5 50.218 -17.713 8.940 1.00 2.65 H new ATOM 0 HG23 THR A 5 49.441 -16.251 8.287 1.00 2.65 H new ATOM 51 N GLU A 6 53.997 -15.804 6.551 1.00 2.00 N ATOM 52 CA GLU A 6 54.924 -15.111 5.664 1.00 2.00 C ATOM 53 C GLU A 6 54.174 -14.142 4.757 1.00 2.00 C ATOM 54 O GLU A 6 54.569 -12.986 4.604 1.00 2.00 O ATOM 55 CB GLU A 6 55.688 -16.127 4.811 1.00 2.00 C ATOM 56 CG GLU A 6 55.953 -17.388 5.635 1.00 2.39 C ATOM 57 CD GLU A 6 57.186 -18.109 5.102 1.00 7.12 C ATOM 58 OE1 GLU A 6 58.188 -17.447 4.885 1.00 4.58 O ATOM 59 OE2 GLU A 6 57.112 -19.314 4.920 1.00 2.00 O ATOM 0 H GLU A 6 54.133 -16.813 6.605 1.00 2.00 H new ATOM 0 HA GLU A 6 55.629 -14.546 6.274 1.00 2.00 H new ATOM 0 HB2 GLU A 6 55.112 -16.376 3.920 1.00 2.00 H new ATOM 0 HB3 GLU A 6 56.630 -15.697 4.471 1.00 2.00 H new ATOM 0 HG2 GLU A 6 56.100 -17.124 6.682 1.00 2.39 H new ATOM 0 HG3 GLU A 6 55.088 -18.049 5.592 1.00 2.39 H new ATOM 66 N GLU A 7 53.090 -14.622 4.156 1.00 2.00 N ATOM 67 CA GLU A 7 52.290 -13.789 3.265 1.00 2.00 C ATOM 68 C GLU A 7 51.805 -12.538 3.991 1.00 2.00 C ATOM 69 O GLU A 7 51.627 -11.484 3.380 1.00 2.00 O ATOM 70 CB GLU A 7 51.087 -14.581 2.749 1.00 2.00 C ATOM 71 CG GLU A 7 51.557 -15.613 1.721 1.00 2.00 C ATOM 72 CD GLU A 7 52.083 -16.855 2.432 1.00 6.50 C ATOM 73 OE1 GLU A 7 51.535 -17.921 2.204 1.00 4.99 O ATOM 74 OE2 GLU A 7 53.025 -16.722 3.196 1.00 6.85 O ATOM 0 H GLU A 7 52.747 -15.576 4.268 1.00 2.00 H new ATOM 0 HA GLU A 7 52.914 -13.487 2.424 1.00 2.00 H new ATOM 0 HB2 GLU A 7 50.585 -15.080 3.577 1.00 2.00 H new ATOM 0 HB3 GLU A 7 50.361 -13.906 2.296 1.00 2.00 H new ATOM 0 HG2 GLU A 7 50.732 -15.883 1.062 1.00 2.00 H new ATOM 0 HG3 GLU A 7 52.339 -15.184 1.094 1.00 2.00 H new ATOM 81 N GLN A 8 51.593 -12.663 5.297 1.00 2.00 N ATOM 82 CA GLN A 8 51.128 -11.535 6.096 1.00 2.00 C ATOM 83 C GLN A 8 52.310 -10.754 6.661 1.00 2.00 C ATOM 84 O GLN A 8 52.439 -9.551 6.429 1.00 2.26 O ATOM 85 CB GLN A 8 50.249 -12.036 7.244 1.00 2.98 C ATOM 86 CG GLN A 8 48.922 -12.549 6.684 1.00 3.96 C ATOM 87 CD GLN A 8 49.166 -13.321 5.391 1.00 6.08 C ATOM 88 OE1 GLN A 8 49.565 -14.485 5.428 1.00 7.35 O ATOM 89 NE2 GLN A 8 48.949 -12.739 4.244 1.00 15.10 N ATOM 0 H GLN A 8 51.734 -13.527 5.821 1.00 2.00 H new ATOM 0 HA GLN A 8 50.545 -10.875 5.454 1.00 2.00 H new ATOM 0 HB2 GLN A 8 50.759 -12.832 7.786 1.00 2.98 H new ATOM 0 HB3 GLN A 8 50.068 -11.231 7.956 1.00 2.98 H new ATOM 0 HG2 GLN A 8 48.434 -13.193 7.415 1.00 3.96 H new ATOM 0 HG3 GLN A 8 48.249 -11.712 6.496 1.00 3.96 H new ATOM 0 HE21 GLN A 8 48.618 -11.774 4.216 1.00 15.10 H new ATOM 0 HE22 GLN A 8 49.110 -13.248 3.375 1.00 15.10 H new ATOM 98 N ILE A 9 53.171 -11.445 7.401 1.00 2.00 N ATOM 99 CA ILE A 9 54.340 -10.805 7.993 1.00 2.00 C ATOM 100 C ILE A 9 55.041 -9.918 6.968 1.00 3.62 C ATOM 101 O ILE A 9 55.639 -8.901 7.318 1.00 2.00 O ATOM 102 CB ILE A 9 55.316 -11.867 8.502 1.00 2.16 C ATOM 103 CG1 ILE A 9 54.614 -12.746 9.539 1.00 2.00 C ATOM 104 CG2 ILE A 9 56.523 -11.184 9.148 1.00 4.72 C ATOM 105 CD1 ILE A 9 55.295 -14.115 9.592 1.00 2.00 C ATOM 0 H ILE A 9 53.083 -12.441 7.604 1.00 2.00 H new ATOM 0 HA ILE A 9 54.009 -10.187 8.827 1.00 2.00 H new ATOM 0 HB ILE A 9 55.651 -12.483 7.667 1.00 2.16 H new ATOM 0 HG12 ILE A 9 54.652 -12.271 10.519 1.00 2.00 H new ATOM 0 HG13 ILE A 9 53.561 -12.861 9.281 1.00 2.00 H new ATOM 0 HG21 ILE A 9 57.218 -11.941 9.511 1.00 4.72 H new ATOM 0 HG22 ILE A 9 57.023 -10.555 8.411 1.00 4.72 H new ATOM 0 HG23 ILE A 9 56.189 -10.568 9.983 1.00 4.72 H new ATOM 0 HD11 ILE A 9 54.795 -14.742 10.331 1.00 2.00 H new ATOM 0 HD12 ILE A 9 55.234 -14.590 8.613 1.00 2.00 H new ATOM 0 HD13 ILE A 9 56.341 -13.990 9.870 1.00 2.00 H new ATOM 117 N ALA A 10 54.961 -10.311 5.701 1.00 5.09 N ATOM 118 CA ALA A 10 55.590 -9.544 4.633 1.00 5.63 C ATOM 119 C ALA A 10 54.771 -8.297 4.316 1.00 4.82 C ATOM 120 O ALA A 10 55.298 -7.185 4.294 1.00 4.15 O ATOM 121 CB ALA A 10 55.718 -10.406 3.376 1.00 6.68 C ATOM 0 H ALA A 10 54.471 -11.150 5.391 1.00 5.09 H new ATOM 0 HA ALA A 10 56.582 -9.239 4.966 1.00 5.63 H new ATOM 0 HB1 ALA A 10 56.189 -9.825 2.583 1.00 6.68 H new ATOM 0 HB2 ALA A 10 56.329 -11.282 3.596 1.00 6.68 H new ATOM 0 HB3 ALA A 10 54.728 -10.726 3.052 1.00 6.68 H new ATOM 127 N GLU A 11 53.480 -8.491 4.070 1.00 2.54 N ATOM 128 CA GLU A 11 52.596 -7.375 3.753 1.00 3.13 C ATOM 129 C GLU A 11 52.861 -6.198 4.685 1.00 5.12 C ATOM 130 O GLU A 11 53.074 -5.073 4.233 1.00 4.53 O ATOM 131 CB GLU A 11 51.136 -7.813 3.883 1.00 2.38 C ATOM 132 CG GLU A 11 50.285 -7.062 2.857 1.00 4.44 C ATOM 133 CD GLU A 11 48.819 -7.455 3.008 1.00 7.86 C ATOM 134 OE1 GLU A 11 48.544 -8.643 3.040 1.00 9.34 O ATOM 135 OE2 GLU A 11 47.992 -6.561 3.090 1.00 18.49 O ATOM 0 H GLU A 11 53.025 -9.404 4.084 1.00 2.54 H new ATOM 0 HA GLU A 11 52.792 -7.061 2.728 1.00 3.13 H new ATOM 0 HB2 GLU A 11 51.052 -8.888 3.724 1.00 2.38 H new ATOM 0 HB3 GLU A 11 50.773 -7.611 4.891 1.00 2.38 H new ATOM 0 HG2 GLU A 11 50.398 -5.987 2.996 1.00 4.44 H new ATOM 0 HG3 GLU A 11 50.630 -7.291 1.849 1.00 4.44 H new ATOM 142 N PHE A 12 52.845 -6.462 5.988 1.00 3.94 N ATOM 143 CA PHE A 12 53.084 -5.412 6.971 1.00 5.41 C ATOM 144 C PHE A 12 54.468 -4.801 6.775 1.00 3.84 C ATOM 145 O PHE A 12 54.613 -3.580 6.705 1.00 4.14 O ATOM 146 CB PHE A 12 52.972 -5.984 8.386 1.00 4.97 C ATOM 147 CG PHE A 12 51.569 -6.493 8.615 1.00 7.97 C ATOM 148 CD1 PHE A 12 50.480 -5.620 8.497 1.00 13.16 C ATOM 149 CD2 PHE A 12 51.356 -7.837 8.944 1.00 11.29 C ATOM 150 CE1 PHE A 12 49.179 -6.092 8.710 1.00 14.89 C ATOM 151 CE2 PHE A 12 50.054 -8.308 9.156 1.00 13.52 C ATOM 152 CZ PHE A 12 48.966 -7.436 9.039 1.00 12.41 C ATOM 0 H PHE A 12 52.671 -7.385 6.385 1.00 3.94 H new ATOM 0 HA PHE A 12 52.332 -4.634 6.834 1.00 5.41 H new ATOM 0 HB2 PHE A 12 53.690 -6.793 8.520 1.00 4.97 H new ATOM 0 HB3 PHE A 12 53.216 -5.216 9.120 1.00 4.97 H new ATOM 0 HD1 PHE A 12 50.644 -4.583 8.242 1.00 13.16 H new ATOM 0 HD2 PHE A 12 52.195 -8.511 9.034 1.00 11.29 H new ATOM 0 HE1 PHE A 12 48.339 -5.419 8.620 1.00 14.89 H new ATOM 0 HE2 PHE A 12 49.890 -9.345 9.410 1.00 13.52 H new ATOM 0 HZ PHE A 12 47.962 -7.800 9.202 1.00 12.41 H new ATOM 162 N LYS A 13 55.482 -5.656 6.687 1.00 4.24 N ATOM 163 CA LYS A 13 56.849 -5.186 6.499 1.00 5.23 C ATOM 164 C LYS A 13 56.906 -4.135 5.396 1.00 4.55 C ATOM 165 O LYS A 13 57.655 -3.163 5.489 1.00 2.18 O ATOM 166 CB LYS A 13 57.760 -6.360 6.135 1.00 7.96 C ATOM 167 CG LYS A 13 58.421 -6.906 7.403 1.00 10.74 C ATOM 168 CD LYS A 13 58.914 -8.332 7.149 1.00 12.48 C ATOM 169 CE LYS A 13 59.355 -8.962 8.471 1.00 16.63 C ATOM 170 NZ LYS A 13 59.973 -10.292 8.205 1.00 18.39 N ATOM 0 H LYS A 13 55.384 -6.670 6.742 1.00 4.24 H new ATOM 0 HA LYS A 13 57.191 -4.737 7.432 1.00 5.23 H new ATOM 0 HB2 LYS A 13 57.182 -7.145 5.647 1.00 7.96 H new ATOM 0 HB3 LYS A 13 58.522 -6.037 5.425 1.00 7.96 H new ATOM 0 HG2 LYS A 13 59.255 -6.268 7.694 1.00 10.74 H new ATOM 0 HG3 LYS A 13 57.710 -6.898 8.229 1.00 10.74 H new ATOM 0 HD2 LYS A 13 58.121 -8.927 6.697 1.00 12.48 H new ATOM 0 HD3 LYS A 13 59.745 -8.321 6.444 1.00 12.48 H new ATOM 0 HE2 LYS A 13 60.069 -8.312 8.976 1.00 16.63 H new ATOM 0 HE3 LYS A 13 58.499 -9.073 9.137 1.00 16.63 H new ATOM 0 HZ1 LYS A 13 60.273 -10.721 9.103 1.00 18.39 H new ATOM 0 HZ2 LYS A 13 59.278 -10.911 7.741 1.00 18.39 H new ATOM 0 HZ3 LYS A 13 60.799 -10.173 7.585 1.00 18.39 H new ATOM 184 N GLU A 14 56.108 -4.336 4.352 1.00 5.40 N ATOM 185 CA GLU A 14 56.075 -3.397 3.237 1.00 5.67 C ATOM 186 C GLU A 14 55.871 -1.973 3.742 1.00 6.21 C ATOM 187 O GLU A 14 56.616 -1.063 3.379 1.00 5.40 O ATOM 188 CB GLU A 14 54.943 -3.767 2.276 1.00 7.02 C ATOM 189 CG GLU A 14 55.249 -3.206 0.886 1.00 9.36 C ATOM 190 CD GLU A 14 56.349 -4.028 0.223 1.00 16.81 C ATOM 191 OE1 GLU A 14 57.389 -3.463 -0.070 1.00 18.47 O ATOM 192 OE2 GLU A 14 56.134 -5.212 0.017 1.00 22.76 O ATOM 0 H GLU A 14 55.480 -5.134 4.255 1.00 5.40 H new ATOM 0 HA GLU A 14 57.029 -3.451 2.712 1.00 5.67 H new ATOM 0 HB2 GLU A 14 54.833 -4.850 2.226 1.00 7.02 H new ATOM 0 HB3 GLU A 14 53.997 -3.367 2.641 1.00 7.02 H new ATOM 0 HG2 GLU A 14 54.349 -3.224 0.271 1.00 9.36 H new ATOM 0 HG3 GLU A 14 55.560 -2.164 0.965 1.00 9.36 H new ATOM 199 N ALA A 15 54.857 -1.787 4.581 1.00 5.16 N ATOM 200 CA ALA A 15 54.566 -0.468 5.131 1.00 5.07 C ATOM 201 C ALA A 15 55.845 0.204 5.619 1.00 5.10 C ATOM 202 O ALA A 15 56.199 1.291 5.164 1.00 5.67 O ATOM 203 CB ALA A 15 53.577 -0.592 6.292 1.00 5.43 C ATOM 0 H ALA A 15 54.228 -2.527 4.893 1.00 5.16 H new ATOM 0 HA ALA A 15 54.126 0.144 4.343 1.00 5.07 H new ATOM 0 HB1 ALA A 15 53.365 0.398 6.697 1.00 5.43 H new ATOM 0 HB2 ALA A 15 52.651 -1.044 5.935 1.00 5.43 H new ATOM 0 HB3 ALA A 15 54.009 -1.218 7.072 1.00 5.43 H new ATOM 209 N PHE A 16 56.535 -0.453 6.546 1.00 4.72 N ATOM 210 CA PHE A 16 57.776 0.090 7.088 1.00 6.21 C ATOM 211 C PHE A 16 58.779 0.349 5.969 1.00 7.11 C ATOM 212 O PHE A 16 59.722 1.124 6.133 1.00 4.60 O ATOM 213 CB PHE A 16 58.376 -0.889 8.098 1.00 6.80 C ATOM 214 CG PHE A 16 59.359 -0.161 8.984 1.00 5.05 C ATOM 215 CD1 PHE A 16 58.922 0.431 10.175 1.00 6.58 C ATOM 216 CD2 PHE A 16 60.707 -0.079 8.615 1.00 10.31 C ATOM 217 CE1 PHE A 16 59.833 1.106 10.997 1.00 4.50 C ATOM 218 CE2 PHE A 16 61.618 0.596 9.437 1.00 10.06 C ATOM 219 CZ PHE A 16 61.181 1.188 10.628 1.00 13.28 C ATOM 0 H PHE A 16 56.259 -1.355 6.935 1.00 4.72 H new ATOM 0 HA PHE A 16 57.553 1.033 7.586 1.00 6.21 H new ATOM 0 HB2 PHE A 16 57.586 -1.334 8.703 1.00 6.80 H new ATOM 0 HB3 PHE A 16 58.876 -1.705 7.576 1.00 6.80 H new ATOM 0 HD1 PHE A 16 57.882 0.367 10.460 1.00 6.58 H new ATOM 0 HD2 PHE A 16 61.044 -0.536 7.697 1.00 10.31 H new ATOM 0 HE1 PHE A 16 59.496 1.563 11.915 1.00 4.50 H new ATOM 0 HE2 PHE A 16 62.658 0.660 9.152 1.00 10.06 H new ATOM 0 HZ PHE A 16 61.884 1.708 11.262 1.00 13.28 H new ATOM 229 N SER A 17 58.568 -0.304 4.831 1.00 6.98 N ATOM 230 CA SER A 17 59.458 -0.138 3.688 1.00 7.97 C ATOM 231 C SER A 17 59.045 1.074 2.859 1.00 7.13 C ATOM 232 O SER A 17 59.846 1.624 2.104 1.00 8.83 O ATOM 233 CB SER A 17 59.424 -1.392 2.814 1.00 10.21 C ATOM 234 OG SER A 17 58.377 -1.271 1.860 1.00 12.16 O ATOM 0 H SER A 17 57.793 -0.949 4.676 1.00 6.98 H new ATOM 0 HA SER A 17 60.471 0.018 4.059 1.00 7.97 H new ATOM 0 HB2 SER A 17 60.380 -1.522 2.307 1.00 10.21 H new ATOM 0 HB3 SER A 17 59.268 -2.276 3.432 1.00 10.21 H new ATOM 0 HG SER A 17 57.541 -1.044 2.319 1.00 12.16 H new ATOM 240 N LEU A 18 57.790 1.485 3.007 1.00 7.48 N ATOM 241 CA LEU A 18 57.280 2.634 2.268 1.00 9.00 C ATOM 242 C LEU A 18 57.486 3.919 3.065 1.00 7.93 C ATOM 243 O LEU A 18 57.733 4.981 2.495 1.00 6.26 O ATOM 244 CB LEU A 18 55.790 2.447 1.974 1.00 10.08 C ATOM 245 CG LEU A 18 55.604 2.043 0.511 1.00 14.78 C ATOM 246 CD1 LEU A 18 55.956 3.225 -0.395 1.00 17.89 C ATOM 247 CD2 LEU A 18 56.524 0.864 0.188 1.00 15.78 C ATOM 0 H LEU A 18 57.112 1.043 3.627 1.00 7.48 H new ATOM 0 HA LEU A 18 57.829 2.710 1.329 1.00 9.00 H new ATOM 0 HB2 LEU A 18 55.373 1.682 2.629 1.00 10.08 H new ATOM 0 HB3 LEU A 18 55.250 3.371 2.178 1.00 10.08 H new ATOM 0 HG LEU A 18 54.567 1.753 0.344 1.00 14.78 H new ATOM 0 HD11 LEU A 18 55.823 2.936 -1.438 1.00 17.89 H new ATOM 0 HD12 LEU A 18 55.303 4.067 -0.165 1.00 17.89 H new ATOM 0 HD13 LEU A 18 56.993 3.515 -0.228 1.00 17.89 H new ATOM 0 HD21 LEU A 18 56.392 0.575 -0.855 1.00 15.78 H new ATOM 0 HD22 LEU A 18 57.561 1.155 0.356 1.00 15.78 H new ATOM 0 HD23 LEU A 18 56.275 0.021 0.832 1.00 15.78 H new ATOM 259 N PHE A 19 57.382 3.813 4.386 1.00 6.61 N ATOM 260 CA PHE A 19 57.557 4.974 5.252 1.00 3.44 C ATOM 261 C PHE A 19 59.029 5.163 5.607 1.00 5.51 C ATOM 262 O PHE A 19 59.573 6.259 5.474 1.00 6.11 O ATOM 263 CB PHE A 19 56.740 4.798 6.533 1.00 4.01 C ATOM 264 CG PHE A 19 55.314 5.226 6.284 1.00 2.30 C ATOM 265 CD1 PHE A 19 54.957 6.574 6.402 1.00 6.71 C ATOM 266 CD2 PHE A 19 54.348 4.274 5.936 1.00 9.14 C ATOM 267 CE1 PHE A 19 53.634 6.971 6.172 1.00 6.83 C ATOM 268 CE2 PHE A 19 53.026 4.671 5.705 1.00 7.38 C ATOM 269 CZ PHE A 19 52.669 6.019 5.823 1.00 6.43 C ATOM 0 H PHE A 19 57.179 2.942 4.877 1.00 6.61 H new ATOM 0 HA PHE A 19 57.208 5.857 4.717 1.00 3.44 H new ATOM 0 HB2 PHE A 19 56.767 3.757 6.854 1.00 4.01 H new ATOM 0 HB3 PHE A 19 57.174 5.391 7.338 1.00 4.01 H new ATOM 0 HD1 PHE A 19 55.702 7.308 6.671 1.00 6.71 H new ATOM 0 HD2 PHE A 19 54.623 3.234 5.846 1.00 9.14 H new ATOM 0 HE1 PHE A 19 53.358 8.011 6.264 1.00 6.83 H new ATOM 0 HE2 PHE A 19 52.281 3.937 5.436 1.00 7.38 H new ATOM 0 HZ PHE A 19 51.649 6.325 5.645 1.00 6.43 H new ATOM 279 N ASP A 20 59.666 4.089 6.062 1.00 4.53 N ATOM 280 CA ASP A 20 61.075 4.151 6.434 1.00 5.06 C ATOM 281 C ASP A 20 61.946 4.368 5.201 1.00 5.41 C ATOM 282 O ASP A 20 62.699 3.481 4.797 1.00 7.47 O ATOM 283 CB ASP A 20 61.489 2.854 7.132 1.00 3.50 C ATOM 284 CG ASP A 20 62.633 3.127 8.103 1.00 5.29 C ATOM 285 OD1 ASP A 20 62.443 2.909 9.288 1.00 4.70 O ATOM 286 OD2 ASP A 20 63.682 3.550 7.647 1.00 4.96 O ATOM 0 H ASP A 20 59.234 3.173 6.181 1.00 4.53 H new ATOM 0 HA ASP A 20 61.214 4.990 7.115 1.00 5.06 H new ATOM 0 HB2 ASP A 20 60.639 2.432 7.668 1.00 3.50 H new ATOM 0 HB3 ASP A 20 61.797 2.115 6.392 1.00 3.50 H new ATOM 291 N LYS A 21 61.838 5.552 4.608 1.00 8.35 N ATOM 292 CA LYS A 21 62.620 5.875 3.421 1.00 9.30 C ATOM 293 C LYS A 21 64.073 6.154 3.793 1.00 10.49 C ATOM 294 O LYS A 21 64.963 6.093 2.945 1.00 12.20 O ATOM 295 CB LYS A 21 62.027 7.100 2.722 1.00 10.83 C ATOM 296 CG LYS A 21 61.555 8.108 3.772 1.00 18.65 C ATOM 297 CD LYS A 21 61.347 9.473 3.113 1.00 23.74 C ATOM 298 CE LYS A 21 62.503 10.403 3.488 1.00 21.90 C ATOM 299 NZ LYS A 21 62.511 10.616 4.963 1.00 27.75 N ATOM 0 H LYS A 21 61.221 6.299 4.927 1.00 8.35 H new ATOM 0 HA LYS A 21 62.588 5.020 2.746 1.00 9.30 H new ATOM 0 HB2 LYS A 21 62.773 7.558 2.072 1.00 10.83 H new ATOM 0 HB3 LYS A 21 61.192 6.802 2.088 1.00 10.83 H new ATOM 0 HG2 LYS A 21 60.625 7.767 4.227 1.00 18.65 H new ATOM 0 HG3 LYS A 21 62.291 8.187 4.572 1.00 18.65 H new ATOM 0 HD2 LYS A 21 61.293 9.361 2.030 1.00 23.74 H new ATOM 0 HD3 LYS A 21 60.400 9.904 3.437 1.00 23.74 H new ATOM 0 HE2 LYS A 21 63.451 9.970 3.167 1.00 21.90 H new ATOM 0 HE3 LYS A 21 62.398 11.358 2.973 1.00 21.90 H new ATOM 0 HZ1 LYS A 21 63.459 10.413 5.338 1.00 27.75 H new ATOM 0 HZ2 LYS A 21 62.260 11.603 5.173 1.00 27.75 H new ATOM 0 HZ3 LYS A 21 61.819 9.981 5.409 1.00 27.75 H new ATOM 313 N ASP A 22 64.305 6.460 5.065 1.00 10.35 N ATOM 314 CA ASP A 22 65.655 6.748 5.537 1.00 9.98 C ATOM 315 C ASP A 22 66.358 5.465 5.969 1.00 10.21 C ATOM 316 O ASP A 22 67.578 5.441 6.136 1.00 10.63 O ATOM 317 CB ASP A 22 65.600 7.723 6.714 1.00 11.16 C ATOM 318 CG ASP A 22 64.751 8.936 6.346 1.00 11.39 C ATOM 319 OD1 ASP A 22 63.819 9.225 7.078 1.00 8.03 O ATOM 320 OD2 ASP A 22 65.046 9.557 5.338 1.00 14.13 O ATOM 0 H ASP A 22 63.582 6.515 5.783 1.00 10.35 H new ATOM 0 HA ASP A 22 66.217 7.198 4.718 1.00 9.98 H new ATOM 0 HB2 ASP A 22 65.180 7.227 7.589 1.00 11.16 H new ATOM 0 HB3 ASP A 22 66.608 8.041 6.981 1.00 11.16 H new ATOM 325 N GLY A 23 65.582 4.401 6.150 1.00 8.93 N ATOM 326 CA GLY A 23 66.144 3.120 6.563 1.00 9.95 C ATOM 327 C GLY A 23 66.944 3.267 7.853 1.00 11.51 C ATOM 328 O GLY A 23 67.936 2.569 8.062 1.00 10.61 O ATOM 0 H GLY A 23 64.571 4.400 6.019 1.00 8.93 H new ATOM 0 HA2 GLY A 23 65.342 2.396 6.708 1.00 9.95 H new ATOM 0 HA3 GLY A 23 66.787 2.729 5.774 1.00 9.95 H new ATOM 332 N ASP A 24 66.506 4.180 8.715 1.00 11.42 N ATOM 333 CA ASP A 24 67.191 4.410 9.982 1.00 12.12 C ATOM 334 C ASP A 24 66.867 3.299 10.976 1.00 11.09 C ATOM 335 O ASP A 24 67.659 3.004 11.871 1.00 11.16 O ATOM 336 CB ASP A 24 66.768 5.759 10.566 1.00 12.48 C ATOM 337 CG ASP A 24 65.248 5.835 10.656 1.00 11.83 C ATOM 338 OD1 ASP A 24 64.750 6.864 11.084 1.00 10.91 O ATOM 339 OD2 ASP A 24 64.603 4.864 10.295 1.00 14.28 O ATOM 0 H ASP A 24 65.687 4.768 8.561 1.00 11.42 H new ATOM 0 HA ASP A 24 68.265 4.415 9.797 1.00 12.12 H new ATOM 0 HB2 ASP A 24 67.206 5.890 11.556 1.00 12.48 H new ATOM 0 HB3 ASP A 24 67.144 6.569 9.941 1.00 12.48 H new ATOM 344 N GLY A 25 65.698 2.688 10.813 1.00 9.38 N ATOM 345 CA GLY A 25 65.279 1.611 11.703 1.00 9.47 C ATOM 346 C GLY A 25 64.210 2.094 12.676 1.00 7.97 C ATOM 347 O GLY A 25 63.671 1.312 13.460 1.00 6.95 O ATOM 0 H GLY A 25 65.028 2.918 10.079 1.00 9.38 H new ATOM 0 HA2 GLY A 25 64.892 0.778 11.116 1.00 9.47 H new ATOM 0 HA3 GLY A 25 66.139 1.237 12.258 1.00 9.47 H new ATOM 351 N THR A 26 63.907 3.387 12.621 1.00 7.17 N ATOM 352 CA THR A 26 62.899 3.963 13.503 1.00 8.21 C ATOM 353 C THR A 26 62.188 5.126 12.818 1.00 8.10 C ATOM 354 O THR A 26 62.823 5.961 12.173 1.00 7.63 O ATOM 355 CB THR A 26 63.555 4.453 14.796 1.00 11.49 C ATOM 356 OG1 THR A 26 64.613 5.347 14.478 1.00 16.41 O ATOM 357 CG2 THR A 26 64.109 3.259 15.574 1.00 11.35 C ATOM 0 H THR A 26 64.341 4.051 11.980 1.00 7.17 H new ATOM 0 HA THR A 26 62.165 3.192 13.738 1.00 8.21 H new ATOM 0 HB THR A 26 62.814 4.969 15.407 1.00 11.49 H new ATOM 0 HG1 THR A 26 65.033 5.663 15.305 1.00 16.41 H new ATOM 0 HG21 THR A 26 64.576 3.609 16.494 1.00 11.35 H new ATOM 0 HG22 THR A 26 63.296 2.574 15.817 1.00 11.35 H new ATOM 0 HG23 THR A 26 64.850 2.741 14.966 1.00 11.35 H new ATOM 365 N ILE A 27 60.868 5.175 12.964 1.00 6.76 N ATOM 366 CA ILE A 27 60.081 6.241 12.355 1.00 3.01 C ATOM 367 C ILE A 27 59.791 7.340 13.373 1.00 4.61 C ATOM 368 O ILE A 27 59.261 7.075 14.452 1.00 4.59 O ATOM 369 CB ILE A 27 58.763 5.678 11.820 1.00 4.15 C ATOM 370 CG1 ILE A 27 58.928 4.184 11.531 1.00 8.03 C ATOM 371 CG2 ILE A 27 58.383 6.407 10.530 1.00 6.87 C ATOM 372 CD1 ILE A 27 57.712 3.677 10.755 1.00 5.23 C ATOM 0 H ILE A 27 60.324 4.495 13.495 1.00 6.76 H new ATOM 0 HA ILE A 27 60.655 6.666 11.531 1.00 3.01 H new ATOM 0 HB ILE A 27 57.978 5.821 12.563 1.00 4.15 H new ATOM 0 HG12 ILE A 27 59.837 4.012 10.955 1.00 8.03 H new ATOM 0 HG13 ILE A 27 59.033 3.632 12.465 1.00 8.03 H new ATOM 0 HG21 ILE A 27 57.444 6.006 10.149 1.00 6.87 H new ATOM 0 HG22 ILE A 27 58.267 7.471 10.734 1.00 6.87 H new ATOM 0 HG23 ILE A 27 59.167 6.264 9.787 1.00 6.87 H new ATOM 0 HD11 ILE A 27 57.829 2.613 10.549 1.00 5.23 H new ATOM 0 HD12 ILE A 27 56.811 3.835 11.347 1.00 5.23 H new ATOM 0 HD13 ILE A 27 57.628 4.221 9.814 1.00 5.23 H new ATOM 384 N THR A 28 60.142 8.573 13.023 1.00 5.54 N ATOM 385 CA THR A 28 59.916 9.704 13.915 1.00 5.59 C ATOM 386 C THR A 28 58.708 10.515 13.457 1.00 4.18 C ATOM 387 O THR A 28 58.150 10.267 12.388 1.00 3.04 O ATOM 388 CB THR A 28 61.155 10.602 13.944 1.00 7.09 C ATOM 389 OG1 THR A 28 61.174 11.417 12.781 1.00 7.62 O ATOM 390 CG2 THR A 28 62.414 9.736 13.985 1.00 7.80 C ATOM 0 H THR A 28 60.581 8.814 12.134 1.00 5.54 H new ATOM 0 HA THR A 28 59.722 9.320 14.916 1.00 5.59 H new ATOM 0 HB THR A 28 61.125 11.235 14.831 1.00 7.09 H new ATOM 0 HG1 THR A 28 61.966 11.994 12.799 1.00 7.62 H new ATOM 0 HG21 THR A 28 63.296 10.377 14.006 1.00 7.80 H new ATOM 0 HG22 THR A 28 62.398 9.112 14.879 1.00 7.80 H new ATOM 0 HG23 THR A 28 62.448 9.101 13.100 1.00 7.80 H new ATOM 398 N THR A 29 58.310 11.485 14.273 1.00 6.48 N ATOM 399 CA THR A 29 57.166 12.328 13.943 1.00 6.08 C ATOM 400 C THR A 29 57.545 13.352 12.877 1.00 6.97 C ATOM 401 O THR A 29 56.703 13.784 12.090 1.00 10.04 O ATOM 402 CB THR A 29 56.672 13.054 15.196 1.00 8.08 C ATOM 403 OG1 THR A 29 56.631 12.141 16.284 1.00 8.72 O ATOM 404 CG2 THR A 29 55.272 13.617 14.946 1.00 6.60 C ATOM 0 H THR A 29 58.759 11.706 15.162 1.00 6.48 H new ATOM 0 HA THR A 29 56.371 11.692 13.555 1.00 6.08 H new ATOM 0 HB THR A 29 57.351 13.873 15.433 1.00 8.08 H new ATOM 0 HG1 THR A 29 56.316 12.604 17.088 1.00 8.72 H new ATOM 0 HG21 THR A 29 54.923 14.134 15.840 1.00 6.60 H new ATOM 0 HG22 THR A 29 55.305 14.318 14.112 1.00 6.60 H new ATOM 0 HG23 THR A 29 54.589 12.802 14.708 1.00 6.60 H new ATOM 412 N LYS A 30 58.817 13.736 12.859 1.00 6.44 N ATOM 413 CA LYS A 30 59.297 14.710 11.886 1.00 5.32 C ATOM 414 C LYS A 30 59.325 14.103 10.487 1.00 5.11 C ATOM 415 O LYS A 30 59.160 14.807 9.491 1.00 2.00 O ATOM 416 CB LYS A 30 60.701 15.181 12.268 1.00 6.94 C ATOM 417 CG LYS A 30 60.846 16.670 11.947 1.00 11.76 C ATOM 418 CD LYS A 30 62.293 17.106 12.185 1.00 16.32 C ATOM 419 CE LYS A 30 62.347 18.625 12.359 1.00 16.38 C ATOM 420 NZ LYS A 30 61.867 19.285 11.112 1.00 12.63 N ATOM 0 H LYS A 30 59.529 13.391 13.502 1.00 6.44 H new ATOM 0 HA LYS A 30 58.616 15.561 11.886 1.00 5.32 H new ATOM 0 HB2 LYS A 30 60.877 15.008 13.330 1.00 6.94 H new ATOM 0 HB3 LYS A 30 61.450 14.606 11.723 1.00 6.94 H new ATOM 0 HG2 LYS A 30 60.564 16.858 10.911 1.00 11.76 H new ATOM 0 HG3 LYS A 30 60.171 17.255 12.572 1.00 11.76 H new ATOM 0 HD2 LYS A 30 62.691 16.613 13.072 1.00 16.32 H new ATOM 0 HD3 LYS A 30 62.918 16.803 11.345 1.00 16.32 H new ATOM 0 HE2 LYS A 30 61.729 18.927 13.204 1.00 16.38 H new ATOM 0 HE3 LYS A 30 63.367 18.940 12.581 1.00 16.38 H new ATOM 0 HZ1 LYS A 30 62.106 20.297 11.141 1.00 12.63 H new ATOM 0 HZ2 LYS A 30 62.324 18.845 10.288 1.00 12.63 H new ATOM 0 HZ3 LYS A 30 60.836 19.175 11.036 1.00 12.63 H new ATOM 434 N GLU A 31 59.535 12.792 10.420 1.00 2.00 N ATOM 435 CA GLU A 31 59.583 12.102 9.137 1.00 2.98 C ATOM 436 C GLU A 31 58.179 11.720 8.682 1.00 4.00 C ATOM 437 O GLU A 31 57.897 11.663 7.485 1.00 4.67 O ATOM 438 CB GLU A 31 60.443 10.842 9.254 1.00 2.67 C ATOM 439 CG GLU A 31 61.923 11.230 9.231 1.00 3.70 C ATOM 440 CD GLU A 31 62.778 10.051 9.683 1.00 3.21 C ATOM 441 OE1 GLU A 31 63.939 10.010 9.312 1.00 5.59 O ATOM 442 OE2 GLU A 31 62.259 9.206 10.395 1.00 4.09 O ATOM 0 H GLU A 31 59.674 12.191 11.232 1.00 2.00 H new ATOM 0 HA GLU A 31 60.022 12.775 8.400 1.00 2.98 H new ATOM 0 HB2 GLU A 31 60.209 10.314 10.178 1.00 2.67 H new ATOM 0 HB3 GLU A 31 60.222 10.160 8.433 1.00 2.67 H new ATOM 0 HG2 GLU A 31 62.212 11.535 8.225 1.00 3.70 H new ATOM 0 HG3 GLU A 31 62.093 12.085 9.885 1.00 3.70 H new ATOM 449 N LEU A 32 57.301 11.458 9.645 1.00 5.61 N ATOM 450 CA LEU A 32 55.928 11.082 9.332 1.00 5.49 C ATOM 451 C LEU A 32 55.202 12.230 8.638 1.00 6.12 C ATOM 452 O LEU A 32 54.735 12.088 7.508 1.00 5.57 O ATOM 453 CB LEU A 32 55.184 10.707 10.615 1.00 5.85 C ATOM 454 CG LEU A 32 54.176 9.596 10.314 1.00 7.72 C ATOM 455 CD1 LEU A 32 53.233 10.050 9.198 1.00 6.45 C ATOM 456 CD2 LEU A 32 54.923 8.338 9.869 1.00 7.63 C ATOM 0 H LEU A 32 57.514 11.499 10.642 1.00 5.61 H new ATOM 0 HA LEU A 32 55.951 10.223 8.661 1.00 5.49 H new ATOM 0 HB2 LEU A 32 55.892 10.375 11.374 1.00 5.85 H new ATOM 0 HB3 LEU A 32 54.670 11.580 11.018 1.00 5.85 H new ATOM 0 HG LEU A 32 53.597 9.378 11.212 1.00 7.72 H new ATOM 0 HD11 LEU A 32 52.515 9.258 8.984 1.00 6.45 H new ATOM 0 HD12 LEU A 32 52.700 10.947 9.514 1.00 6.45 H new ATOM 0 HD13 LEU A 32 53.811 10.269 8.300 1.00 6.45 H new ATOM 0 HD21 LEU A 32 54.206 7.546 9.654 1.00 7.63 H new ATOM 0 HD22 LEU A 32 55.502 8.557 8.971 1.00 7.63 H new ATOM 0 HD23 LEU A 32 55.595 8.014 10.664 1.00 7.63 H new ATOM 468 N GLY A 33 55.110 13.365 9.322 1.00 6.93 N ATOM 469 CA GLY A 33 54.438 14.531 8.760 1.00 4.91 C ATOM 470 C GLY A 33 54.967 14.844 7.365 1.00 6.07 C ATOM 471 O GLY A 33 54.194 15.011 6.421 1.00 6.12 O ATOM 0 H GLY A 33 55.489 13.503 10.259 1.00 6.93 H new ATOM 0 HA2 GLY A 33 53.364 14.350 8.714 1.00 4.91 H new ATOM 0 HA3 GLY A 33 54.588 15.392 9.412 1.00 4.91 H new ATOM 475 N THR A 34 56.288 14.923 7.242 1.00 6.25 N ATOM 476 CA THR A 34 56.908 15.217 5.956 1.00 6.89 C ATOM 477 C THR A 34 56.247 14.407 4.845 1.00 5.87 C ATOM 478 O THR A 34 55.984 14.923 3.759 1.00 4.67 O ATOM 479 CB THR A 34 58.402 14.889 6.009 1.00 7.13 C ATOM 480 OG1 THR A 34 59.026 15.694 7.000 1.00 8.73 O ATOM 481 CG2 THR A 34 59.037 15.170 4.646 1.00 9.63 C ATOM 0 H THR A 34 56.945 14.789 8.011 1.00 6.25 H new ATOM 0 HA THR A 34 56.776 16.278 5.745 1.00 6.89 H new ATOM 0 HB THR A 34 58.535 13.836 6.258 1.00 7.13 H new ATOM 0 HG1 THR A 34 59.124 15.178 7.827 1.00 8.73 H new ATOM 0 HG21 THR A 34 60.101 14.936 4.685 1.00 9.63 H new ATOM 0 HG22 THR A 34 58.557 14.552 3.887 1.00 9.63 H new ATOM 0 HG23 THR A 34 58.906 16.222 4.394 1.00 9.63 H new ATOM 489 N VAL A 35 55.981 13.135 5.126 1.00 4.87 N ATOM 490 CA VAL A 35 55.350 12.262 4.144 1.00 5.50 C ATOM 491 C VAL A 35 53.945 12.756 3.813 1.00 6.36 C ATOM 492 O VAL A 35 53.553 12.808 2.648 1.00 6.78 O ATOM 493 CB VAL A 35 55.277 10.834 4.685 1.00 7.07 C ATOM 494 CG1 VAL A 35 54.501 9.954 3.703 1.00 6.42 C ATOM 495 CG2 VAL A 35 56.693 10.281 4.854 1.00 4.61 C ATOM 0 H VAL A 35 56.191 12.689 6.019 1.00 4.87 H new ATOM 0 HA VAL A 35 55.951 12.275 3.235 1.00 5.50 H new ATOM 0 HB VAL A 35 54.769 10.837 5.649 1.00 7.07 H new ATOM 0 HG11 VAL A 35 54.449 8.936 4.089 1.00 6.42 H new ATOM 0 HG12 VAL A 35 53.492 10.348 3.581 1.00 6.42 H new ATOM 0 HG13 VAL A 35 55.008 9.951 2.738 1.00 6.42 H new ATOM 0 HG21 VAL A 35 56.642 9.263 5.240 1.00 4.61 H new ATOM 0 HG22 VAL A 35 57.200 10.279 3.889 1.00 4.61 H new ATOM 0 HG23 VAL A 35 57.247 10.907 5.554 1.00 4.61 H new ATOM 505 N MET A 36 53.193 13.119 4.847 0.50 5.82 N ATOM 506 CA MET A 36 51.833 13.608 4.655 0.50 6.35 C ATOM 507 C MET A 36 51.844 14.941 3.913 0.50 5.77 C ATOM 508 O MET A 36 50.906 15.265 3.186 0.50 6.52 O ATOM 509 CB MET A 36 51.143 13.780 6.009 0.50 6.47 C ATOM 510 CG MET A 36 50.480 12.463 6.416 0.50 7.91 C ATOM 511 SD MET A 36 48.859 12.333 5.621 0.50 9.11 S ATOM 512 CE MET A 36 48.529 10.609 6.062 0.50 10.12 C ATOM 0 H MET A 36 53.499 13.084 5.819 0.50 5.82 H new ATOM 0 HA MET A 36 51.285 12.878 4.060 0.50 6.35 H new ATOM 0 HB2 MET A 36 51.870 14.082 6.763 0.50 6.47 H new ATOM 0 HB3 MET A 36 50.397 14.572 5.950 0.50 6.47 H new ATOM 0 HG2 MET A 36 51.109 11.622 6.124 0.50 7.91 H new ATOM 0 HG3 MET A 36 50.370 12.418 7.500 0.50 7.91 H new ATOM 0 HE1 MET A 36 47.559 10.311 5.664 0.50 10.12 H new ATOM 0 HE2 MET A 36 49.305 9.971 5.641 0.50 10.12 H new ATOM 0 HE3 MET A 36 48.524 10.506 7.147 0.50 10.12 H new ATOM 522 N ARG A 37 52.912 15.709 4.104 1.00 5.54 N ATOM 523 CA ARG A 37 53.035 17.005 3.448 1.00 5.23 C ATOM 524 C ARG A 37 53.086 16.835 1.933 1.00 5.57 C ATOM 525 O ARG A 37 52.726 17.743 1.184 1.00 5.64 O ATOM 526 CB ARG A 37 54.302 17.715 3.927 1.00 5.44 C ATOM 527 CG ARG A 37 54.426 19.069 3.224 1.00 9.87 C ATOM 528 CD ARG A 37 53.162 19.893 3.474 1.00 7.40 C ATOM 529 NE ARG A 37 52.685 19.684 4.836 1.00 5.71 N ATOM 530 CZ ARG A 37 53.280 20.270 5.870 1.00 5.49 C ATOM 531 NH1 ARG A 37 52.834 20.069 7.080 1.00 4.77 N ATOM 532 NH2 ARG A 37 54.310 21.047 5.675 1.00 5.93 N ATOM 0 H ARG A 37 53.699 15.459 4.703 1.00 5.54 H new ATOM 0 HA ARG A 37 52.163 17.606 3.706 1.00 5.23 H new ATOM 0 HB2 ARG A 37 54.266 17.856 5.007 1.00 5.44 H new ATOM 0 HB3 ARG A 37 55.178 17.102 3.715 1.00 5.44 H new ATOM 0 HG2 ARG A 37 55.300 19.604 3.594 1.00 9.87 H new ATOM 0 HG3 ARG A 37 54.571 18.923 2.154 1.00 9.87 H new ATOM 0 HD2 ARG A 37 53.371 20.951 3.312 1.00 7.40 H new ATOM 0 HD3 ARG A 37 52.387 19.609 2.762 1.00 7.40 H new ATOM 0 HE ARG A 37 51.881 19.078 4.998 1.00 5.71 H new ATOM 0 HH11 ARG A 37 52.029 19.462 7.232 1.00 4.77 H new ATOM 0 HH12 ARG A 37 53.291 20.519 7.873 1.00 4.77 H new ATOM 0 HH21 ARG A 37 54.658 21.204 4.729 1.00 5.93 H new ATOM 0 HH22 ARG A 37 54.767 21.497 6.468 1.00 5.93 H new ATOM 546 N SER A 38 53.536 15.666 1.489 1.00 5.82 N ATOM 547 CA SER A 38 53.629 15.387 0.060 1.00 6.44 C ATOM 548 C SER A 38 52.282 14.921 -0.482 1.00 7.83 C ATOM 549 O SER A 38 52.037 14.969 -1.688 1.00 7.95 O ATOM 550 CB SER A 38 54.684 14.310 -0.193 1.00 5.05 C ATOM 551 OG SER A 38 55.968 14.916 -0.260 1.00 8.15 O ATOM 0 H SER A 38 53.840 14.902 2.092 1.00 5.82 H new ATOM 0 HA SER A 38 53.917 16.304 -0.454 1.00 6.44 H new ATOM 0 HB2 SER A 38 54.661 13.568 0.605 1.00 5.05 H new ATOM 0 HB3 SER A 38 54.468 13.785 -1.123 1.00 5.05 H new ATOM 0 HG SER A 38 56.647 14.228 -0.420 1.00 8.15 H new ATOM 557 N LEU A 39 51.412 14.472 0.417 1.00 7.89 N ATOM 558 CA LEU A 39 50.091 14.001 0.018 1.00 8.71 C ATOM 559 C LEU A 39 49.082 15.144 0.055 1.00 8.85 C ATOM 560 O LEU A 39 47.873 14.919 0.025 1.00 8.85 O ATOM 561 CB LEU A 39 49.631 12.882 0.955 1.00 9.15 C ATOM 562 CG LEU A 39 50.771 11.881 1.153 1.00 8.10 C ATOM 563 CD1 LEU A 39 50.372 10.857 2.216 1.00 10.10 C ATOM 564 CD2 LEU A 39 51.050 11.160 -0.168 1.00 12.78 C ATOM 0 H LEU A 39 51.596 14.424 1.419 1.00 7.89 H new ATOM 0 HA LEU A 39 50.154 13.619 -1.001 1.00 8.71 H new ATOM 0 HB2 LEU A 39 49.328 13.299 1.915 1.00 9.15 H new ATOM 0 HB3 LEU A 39 48.759 12.379 0.537 1.00 9.15 H new ATOM 0 HG LEU A 39 51.667 12.410 1.476 1.00 8.10 H new ATOM 0 HD11 LEU A 39 51.184 10.144 2.357 1.00 10.10 H new ATOM 0 HD12 LEU A 39 50.171 11.369 3.157 1.00 10.10 H new ATOM 0 HD13 LEU A 39 49.476 10.327 1.893 1.00 10.10 H new ATOM 0 HD21 LEU A 39 51.862 10.446 -0.029 1.00 12.78 H new ATOM 0 HD22 LEU A 39 50.153 10.631 -0.490 1.00 12.78 H new ATOM 0 HD23 LEU A 39 51.334 11.889 -0.927 1.00 12.78 H new ATOM 576 N GLY A 40 49.590 16.371 0.119 1.00 9.60 N ATOM 577 CA GLY A 40 48.724 17.544 0.159 1.00 8.71 C ATOM 578 C GLY A 40 47.968 17.617 1.481 1.00 8.84 C ATOM 579 O GLY A 40 46.894 18.214 1.561 1.00 8.80 O ATOM 0 H GLY A 40 50.588 16.578 0.144 1.00 9.60 H new ATOM 0 HA2 GLY A 40 49.321 18.446 0.026 1.00 8.71 H new ATOM 0 HA3 GLY A 40 48.015 17.506 -0.668 1.00 8.71 H new ATOM 583 N GLN A 41 48.535 17.006 2.516 1.00 9.43 N ATOM 584 CA GLN A 41 47.905 17.008 3.831 1.00 9.39 C ATOM 585 C GLN A 41 48.593 18.010 4.754 1.00 9.13 C ATOM 586 O GLN A 41 49.778 18.302 4.595 1.00 9.37 O ATOM 587 CB GLN A 41 47.978 15.610 4.448 1.00 9.54 C ATOM 588 CG GLN A 41 46.685 14.850 4.146 1.00 14.07 C ATOM 589 CD GLN A 41 45.606 15.240 5.150 1.00 18.80 C ATOM 590 OE1 GLN A 41 45.608 16.359 5.663 1.00 20.35 O ATOM 591 NE2 GLN A 41 44.677 14.378 5.464 1.00 17.18 N ATOM 0 H GLN A 41 49.423 16.507 2.471 1.00 9.43 H new ATOM 0 HA GLN A 41 46.861 17.298 3.712 1.00 9.39 H new ATOM 0 HB2 GLN A 41 48.833 15.068 4.045 1.00 9.54 H new ATOM 0 HB3 GLN A 41 48.126 15.684 5.525 1.00 9.54 H new ATOM 0 HG2 GLN A 41 46.350 15.074 3.133 1.00 14.07 H new ATOM 0 HG3 GLN A 41 46.865 13.776 4.192 1.00 14.07 H new ATOM 0 HE21 GLN A 41 44.676 13.451 5.038 1.00 17.18 H new ATOM 0 HE22 GLN A 41 43.952 14.631 6.135 1.00 17.18 H new ATOM 600 N ASN A 42 47.841 18.531 5.717 0.50 9.56 N ATOM 601 CA ASN A 42 48.388 19.500 6.661 0.50 9.39 C ATOM 602 C ASN A 42 48.140 19.047 8.097 0.50 9.08 C ATOM 603 O ASN A 42 47.213 19.519 8.755 0.50 10.22 O ATOM 604 CB ASN A 42 47.742 20.868 6.436 0.50 9.34 C ATOM 605 CG ASN A 42 47.816 21.244 4.960 0.50 8.10 C ATOM 606 OD1 ASN A 42 46.813 21.175 4.251 0.50 6.34 O ATOM 607 ND2 ASN A 42 48.952 21.640 4.453 0.50 6.21 N ATOM 0 H ASN A 42 46.858 18.301 5.865 0.50 9.56 H new ATOM 0 HA ASN A 42 49.463 19.574 6.496 0.50 9.39 H new ATOM 0 HB2 ASN A 42 46.702 20.846 6.762 0.50 9.34 H new ATOM 0 HB3 ASN A 42 48.249 21.622 7.038 0.50 9.34 H new ATOM 0 HD21 ASN A 42 49.010 21.893 3.467 0.50 6.21 H new ATOM 0 HD22 ASN A 42 49.782 21.696 5.043 0.50 6.21 H new ATOM 614 N PRO A 43 48.948 18.145 8.585 1.00 8.50 N ATOM 615 CA PRO A 43 48.819 17.614 9.970 1.00 6.21 C ATOM 616 C PRO A 43 49.372 18.582 11.013 1.00 4.45 C ATOM 617 O PRO A 43 50.393 19.232 10.791 1.00 7.13 O ATOM 618 CB PRO A 43 49.637 16.323 9.933 1.00 6.33 C ATOM 619 CG PRO A 43 50.662 16.530 8.866 1.00 8.63 C ATOM 620 CD PRO A 43 50.075 17.532 7.866 1.00 8.24 C ATOM 0 HA PRO A 43 47.779 17.459 10.257 1.00 6.21 H new ATOM 0 HB2 PRO A 43 50.108 16.129 10.897 1.00 6.33 H new ATOM 0 HB3 PRO A 43 49.005 15.464 9.708 1.00 6.33 H new ATOM 0 HG2 PRO A 43 51.590 16.910 9.292 1.00 8.63 H new ATOM 0 HG3 PRO A 43 50.900 15.588 8.372 1.00 8.63 H new ATOM 0 HD2 PRO A 43 50.812 18.279 7.572 1.00 8.24 H new ATOM 0 HD3 PRO A 43 49.743 17.036 6.954 1.00 8.24 H new ATOM 628 N THR A 44 48.690 18.671 12.150 1.00 4.83 N ATOM 629 CA THR A 44 49.121 19.562 13.221 1.00 3.51 C ATOM 630 C THR A 44 49.933 18.797 14.261 1.00 2.59 C ATOM 631 O THR A 44 49.733 17.599 14.460 1.00 2.00 O ATOM 632 CB THR A 44 47.903 20.202 13.890 1.00 3.90 C ATOM 633 OG1 THR A 44 47.156 19.200 14.567 1.00 3.35 O ATOM 634 CG2 THR A 44 47.025 20.867 12.829 1.00 3.21 C ATOM 0 H THR A 44 47.842 18.141 12.353 1.00 4.83 H new ATOM 0 HA THR A 44 49.749 20.341 12.789 1.00 3.51 H new ATOM 0 HB THR A 44 48.235 20.954 14.606 1.00 3.90 H new ATOM 0 HG1 THR A 44 46.376 19.608 14.998 1.00 3.35 H new ATOM 0 HG21 THR A 44 46.158 21.322 13.307 1.00 3.21 H new ATOM 0 HG22 THR A 44 47.599 21.635 12.311 1.00 3.21 H new ATOM 0 HG23 THR A 44 46.691 20.118 12.111 1.00 3.21 H new ATOM 642 N GLU A 45 50.849 19.497 14.921 1.00 2.00 N ATOM 643 CA GLU A 45 51.686 18.873 15.940 1.00 3.60 C ATOM 644 C GLU A 45 50.834 18.061 16.910 1.00 4.17 C ATOM 645 O GLU A 45 51.191 16.942 17.279 1.00 5.52 O ATOM 646 CB GLU A 45 52.458 19.946 16.711 1.00 4.15 C ATOM 647 CG GLU A 45 53.444 19.276 17.670 1.00 7.46 C ATOM 648 CD GLU A 45 54.093 20.325 18.566 1.00 7.32 C ATOM 649 OE1 GLU A 45 54.454 21.372 18.054 1.00 16.78 O ATOM 650 OE2 GLU A 45 54.221 20.066 19.751 1.00 13.96 O ATOM 0 H GLU A 45 51.030 20.489 14.771 1.00 2.00 H new ATOM 0 HA GLU A 45 52.390 18.204 15.445 1.00 3.60 H new ATOM 0 HB2 GLU A 45 52.993 20.594 16.016 1.00 4.15 H new ATOM 0 HB3 GLU A 45 51.766 20.578 17.267 1.00 4.15 H new ATOM 0 HG2 GLU A 45 52.926 18.536 18.279 1.00 7.46 H new ATOM 0 HG3 GLU A 45 54.210 18.744 17.105 1.00 7.46 H new ATOM 657 N ALA A 46 49.705 18.632 17.319 1.00 4.80 N ATOM 658 CA ALA A 46 48.809 17.951 18.247 1.00 3.98 C ATOM 659 C ALA A 46 48.162 16.742 17.578 1.00 2.82 C ATOM 660 O ALA A 46 47.975 15.700 18.205 1.00 4.64 O ATOM 661 CB ALA A 46 47.722 18.915 18.725 1.00 3.36 C ATOM 0 H ALA A 46 49.391 19.557 17.025 1.00 4.80 H new ATOM 0 HA ALA A 46 49.393 17.609 19.102 1.00 3.98 H new ATOM 0 HB1 ALA A 46 47.057 18.399 19.418 1.00 3.36 H new ATOM 0 HB2 ALA A 46 48.184 19.763 19.230 1.00 3.36 H new ATOM 0 HB3 ALA A 46 47.149 19.271 17.869 1.00 3.36 H new ATOM 667 N GLU A 47 47.823 16.890 16.301 0.50 3.25 N ATOM 668 CA GLU A 47 47.197 15.803 15.557 0.50 4.03 C ATOM 669 C GLU A 47 48.202 14.686 15.294 0.50 2.00 C ATOM 670 O GLU A 47 48.011 13.551 15.732 0.50 2.21 O ATOM 671 CB GLU A 47 46.654 16.327 14.226 0.50 3.18 C ATOM 672 CG GLU A 47 45.704 15.293 13.620 0.50 2.62 C ATOM 673 CD GLU A 47 46.499 14.240 12.856 0.50 5.31 C ATOM 674 OE1 GLU A 47 47.095 13.393 13.501 0.50 6.18 O ATOM 675 OE2 GLU A 47 46.500 14.295 11.637 0.50 2.00 O ATOM 0 H GLU A 47 47.970 17.745 15.764 0.50 3.25 H new ATOM 0 HA GLU A 47 46.376 15.405 16.153 0.50 4.03 H new ATOM 0 HB2 GLU A 47 46.131 17.271 14.381 0.50 3.18 H new ATOM 0 HB3 GLU A 47 47.476 16.527 13.539 0.50 3.18 H new ATOM 0 HG2 GLU A 47 45.119 14.818 14.408 0.50 2.62 H new ATOM 0 HG3 GLU A 47 44.998 15.784 12.951 0.50 2.62 H new ATOM 682 N LEU A 48 49.271 15.015 14.577 1.00 2.12 N ATOM 683 CA LEU A 48 50.299 14.030 14.262 1.00 2.61 C ATOM 684 C LEU A 48 50.756 13.308 15.526 1.00 3.92 C ATOM 685 O LEU A 48 51.314 12.213 15.460 1.00 2.59 O ATOM 686 CB LEU A 48 51.497 14.717 13.603 1.00 5.42 C ATOM 687 CG LEU A 48 52.324 13.681 12.840 1.00 4.58 C ATOM 688 CD1 LEU A 48 51.479 13.082 11.714 1.00 6.65 C ATOM 689 CD2 LEU A 48 53.560 14.357 12.243 1.00 5.37 C ATOM 0 H LEU A 48 49.448 15.948 14.206 1.00 2.12 H new ATOM 0 HA LEU A 48 49.875 13.299 13.573 1.00 2.61 H new ATOM 0 HB2 LEU A 48 51.154 15.496 12.923 1.00 5.42 H new ATOM 0 HB3 LEU A 48 52.112 15.203 14.360 1.00 5.42 H new ATOM 0 HG LEU A 48 52.634 12.890 13.522 1.00 4.58 H new ATOM 0 HD11 LEU A 48 52.068 12.344 11.170 1.00 6.65 H new ATOM 0 HD12 LEU A 48 50.597 12.602 12.137 1.00 6.65 H new ATOM 0 HD13 LEU A 48 51.169 13.873 11.031 1.00 6.65 H new ATOM 0 HD21 LEU A 48 54.151 13.620 11.699 1.00 5.37 H new ATOM 0 HD22 LEU A 48 53.248 15.148 11.561 1.00 5.37 H new ATOM 0 HD23 LEU A 48 54.163 14.785 13.044 1.00 5.37 H new ATOM 701 N GLN A 49 50.515 13.930 16.676 1.00 4.04 N ATOM 702 CA GLN A 49 50.906 13.337 17.950 1.00 6.32 C ATOM 703 C GLN A 49 50.068 12.097 18.243 1.00 4.43 C ATOM 704 O GLN A 49 50.603 11.033 18.553 1.00 6.21 O ATOM 705 CB GLN A 49 50.726 14.356 19.077 1.00 5.48 C ATOM 706 CG GLN A 49 51.449 13.862 20.332 1.00 4.72 C ATOM 707 CD GLN A 49 52.914 14.285 20.290 1.00 3.92 C ATOM 708 OE1 GLN A 49 53.539 14.256 19.230 1.00 7.05 O ATOM 709 NE2 GLN A 49 53.501 14.678 21.386 1.00 2.12 N ATOM 0 H GLN A 49 50.055 14.837 16.752 1.00 4.04 H new ATOM 0 HA GLN A 49 51.955 13.046 17.888 1.00 6.32 H new ATOM 0 HB2 GLN A 49 51.123 15.324 18.773 1.00 5.48 H new ATOM 0 HB3 GLN A 49 49.666 14.498 19.287 1.00 5.48 H new ATOM 0 HG2 GLN A 49 50.970 14.269 21.222 1.00 4.72 H new ATOM 0 HG3 GLN A 49 51.377 12.776 20.400 1.00 4.72 H new ATOM 0 HE21 GLN A 49 52.981 14.701 22.263 1.00 2.12 H new ATOM 0 HE22 GLN A 49 54.480 14.962 21.366 1.00 2.12 H new ATOM 718 N ASP A 50 48.750 12.242 18.142 1.00 3.85 N ATOM 719 CA ASP A 50 47.848 11.126 18.398 1.00 5.51 C ATOM 720 C ASP A 50 48.257 9.907 17.577 1.00 4.73 C ATOM 721 O ASP A 50 48.068 8.767 18.003 1.00 3.05 O ATOM 722 CB ASP A 50 46.413 11.522 18.045 1.00 6.72 C ATOM 723 CG ASP A 50 45.427 10.667 18.834 1.00 3.36 C ATOM 724 OD1 ASP A 50 44.235 10.872 18.674 1.00 2.00 O ATOM 725 OD2 ASP A 50 45.878 9.819 19.586 1.00 3.77 O ATOM 0 H ASP A 50 48.287 13.114 17.887 1.00 3.85 H new ATOM 0 HA ASP A 50 47.905 10.873 19.457 1.00 5.51 H new ATOM 0 HB2 ASP A 50 46.253 12.577 18.269 1.00 6.72 H new ATOM 0 HB3 ASP A 50 46.244 11.394 16.976 1.00 6.72 H new ATOM 730 N MET A 51 48.818 10.155 16.398 1.00 4.95 N ATOM 731 CA MET A 51 49.251 9.070 15.526 1.00 5.39 C ATOM 732 C MET A 51 50.501 8.399 16.086 1.00 5.93 C ATOM 733 O MET A 51 50.501 7.200 16.366 1.00 8.69 O ATOM 734 CB MET A 51 49.544 9.611 14.125 1.00 6.81 C ATOM 735 CG MET A 51 49.226 8.535 13.085 1.00 6.35 C ATOM 736 SD MET A 51 47.445 8.208 13.080 1.00 10.13 S ATOM 737 CE MET A 51 47.502 6.657 12.150 1.00 13.60 C ATOM 0 H MET A 51 48.982 11.091 16.027 1.00 4.95 H new ATOM 0 HA MET A 51 48.450 8.332 15.470 1.00 5.39 H new ATOM 0 HB2 MET A 51 48.946 10.503 13.936 1.00 6.81 H new ATOM 0 HB3 MET A 51 50.590 9.907 14.049 1.00 6.81 H new ATOM 0 HG2 MET A 51 49.549 8.862 12.097 1.00 6.35 H new ATOM 0 HG3 MET A 51 49.774 7.621 13.313 1.00 6.35 H new ATOM 0 HE1 MET A 51 46.491 6.269 12.027 1.00 13.60 H new ATOM 0 HE2 MET A 51 47.944 6.837 11.170 1.00 13.60 H new ATOM 0 HE3 MET A 51 48.106 5.930 12.692 1.00 13.60 H new ATOM 747 N ILE A 52 51.564 9.180 16.246 1.00 7.65 N ATOM 748 CA ILE A 52 52.816 8.649 16.774 1.00 4.46 C ATOM 749 C ILE A 52 52.562 7.839 18.041 1.00 4.03 C ATOM 750 O ILE A 52 53.110 6.750 18.212 1.00 3.57 O ATOM 751 CB ILE A 52 53.779 9.796 17.085 1.00 6.21 C ATOM 752 CG1 ILE A 52 54.257 10.428 15.775 1.00 8.71 C ATOM 753 CG2 ILE A 52 54.983 9.257 17.859 1.00 7.56 C ATOM 754 CD1 ILE A 52 55.448 9.637 15.230 1.00 8.27 C ATOM 0 H ILE A 52 51.585 10.174 16.020 1.00 7.65 H new ATOM 0 HA ILE A 52 53.259 7.996 16.021 1.00 4.46 H new ATOM 0 HB ILE A 52 53.267 10.547 17.687 1.00 6.21 H new ATOM 0 HG12 ILE A 52 53.447 10.435 15.046 1.00 8.71 H new ATOM 0 HG13 ILE A 52 54.543 11.466 15.943 1.00 8.71 H new ATOM 0 HG21 ILE A 52 55.669 10.075 18.080 1.00 7.56 H new ATOM 0 HG22 ILE A 52 54.644 8.805 18.791 1.00 7.56 H new ATOM 0 HG23 ILE A 52 55.496 8.506 17.258 1.00 7.56 H new ATOM 0 HD11 ILE A 52 55.788 10.087 14.297 1.00 8.27 H new ATOM 0 HD12 ILE A 52 56.259 9.653 15.958 1.00 8.27 H new ATOM 0 HD13 ILE A 52 55.146 8.606 15.046 1.00 8.27 H new ATOM 766 N ASN A 53 51.728 8.376 18.924 1.00 2.63 N ATOM 767 CA ASN A 53 51.409 7.692 20.172 1.00 2.00 C ATOM 768 C ASN A 53 50.734 6.354 19.891 1.00 6.04 C ATOM 769 O ASN A 53 51.063 5.340 20.508 1.00 3.59 O ATOM 770 CB ASN A 53 50.484 8.564 21.024 1.00 9.04 C ATOM 771 CG ASN A 53 51.187 9.868 21.388 1.00 3.69 C ATOM 772 OD1 ASN A 53 52.194 10.223 20.775 1.00 2.06 O ATOM 773 ND2 ASN A 53 50.713 10.605 22.355 1.00 3.59 N ATOM 0 H ASN A 53 51.264 9.276 18.801 1.00 2.63 H new ATOM 0 HA ASN A 53 52.337 7.511 20.714 1.00 2.00 H new ATOM 0 HB2 ASN A 53 49.565 8.777 20.477 1.00 9.04 H new ATOM 0 HB3 ASN A 53 50.199 8.029 21.930 1.00 9.04 H new ATOM 0 HD21 ASN A 53 51.177 11.478 22.605 1.00 3.59 H new ATOM 0 HD22 ASN A 53 49.879 10.308 22.861 1.00 3.59 H new ATOM 780 N GLU A 54 49.787 6.358 18.958 1.00 5.74 N ATOM 781 CA GLU A 54 49.071 5.138 18.605 1.00 2.00 C ATOM 782 C GLU A 54 50.052 4.010 18.301 1.00 2.75 C ATOM 783 O GLU A 54 49.889 2.887 18.778 1.00 4.80 O ATOM 784 CB GLU A 54 48.184 5.389 17.382 1.00 2.00 C ATOM 785 CG GLU A 54 46.754 4.933 17.682 1.00 5.28 C ATOM 786 CD GLU A 54 46.020 6.006 18.477 1.00 15.98 C ATOM 787 OE1 GLU A 54 44.804 6.056 18.386 1.00 23.58 O ATOM 788 OE2 GLU A 54 46.683 6.763 19.167 1.00 23.43 O ATOM 0 H GLU A 54 49.499 7.186 18.436 1.00 5.74 H new ATOM 0 HA GLU A 54 48.449 4.845 19.451 1.00 2.00 H new ATOM 0 HB2 GLU A 54 48.192 6.448 17.126 1.00 2.00 H new ATOM 0 HB3 GLU A 54 48.575 4.849 16.520 1.00 2.00 H new ATOM 0 HG2 GLU A 54 46.224 4.733 16.750 1.00 5.28 H new ATOM 0 HG3 GLU A 54 46.772 4.000 18.245 1.00 5.28 H new ATOM 795 N VAL A 55 51.072 4.317 17.506 1.00 2.00 N ATOM 796 CA VAL A 55 52.073 3.320 17.146 1.00 3.29 C ATOM 797 C VAL A 55 53.255 3.376 18.108 1.00 5.38 C ATOM 798 O VAL A 55 54.002 2.407 18.247 1.00 3.32 O ATOM 799 CB VAL A 55 52.563 3.563 15.717 1.00 4.63 C ATOM 800 CG1 VAL A 55 51.405 4.079 14.861 1.00 7.60 C ATOM 801 CG2 VAL A 55 53.685 4.603 15.735 1.00 6.66 C ATOM 0 H VAL A 55 51.227 5.241 17.102 1.00 2.00 H new ATOM 0 HA VAL A 55 51.614 2.333 17.209 1.00 3.29 H new ATOM 0 HB VAL A 55 52.937 2.629 15.297 1.00 4.63 H new ATOM 0 HG11 VAL A 55 51.754 4.252 13.843 1.00 7.60 H new ATOM 0 HG12 VAL A 55 50.604 3.340 14.849 1.00 7.60 H new ATOM 0 HG13 VAL A 55 51.031 5.013 15.280 1.00 7.60 H new ATOM 0 HG21 VAL A 55 54.036 4.778 14.718 1.00 6.66 H new ATOM 0 HG22 VAL A 55 53.309 5.536 16.155 1.00 6.66 H new ATOM 0 HG23 VAL A 55 54.511 4.237 16.345 1.00 6.66 H new ATOM 811 N ASP A 56 53.419 4.517 18.770 1.00 4.38 N ATOM 812 CA ASP A 56 54.513 4.688 19.718 1.00 5.59 C ATOM 813 C ASP A 56 53.987 4.687 21.150 1.00 9.10 C ATOM 814 O ASP A 56 53.775 5.743 21.745 1.00 10.26 O ATOM 815 CB ASP A 56 55.243 6.004 19.442 1.00 5.02 C ATOM 816 CG ASP A 56 56.607 5.998 20.124 1.00 8.99 C ATOM 817 OD1 ASP A 56 56.947 4.986 20.714 1.00 10.72 O ATOM 818 OD2 ASP A 56 57.290 7.005 20.047 1.00 12.55 O ATOM 0 H ASP A 56 52.813 5.331 18.668 1.00 4.38 H new ATOM 0 HA ASP A 56 55.206 3.856 19.597 1.00 5.59 H new ATOM 0 HB2 ASP A 56 55.365 6.143 18.368 1.00 5.02 H new ATOM 0 HB3 ASP A 56 54.649 6.842 19.806 1.00 5.02 H new ATOM 823 N ALA A 57 53.778 3.494 21.697 1.00 9.17 N ATOM 824 CA ALA A 57 53.276 3.367 23.061 1.00 12.52 C ATOM 825 C ALA A 57 54.390 3.628 24.069 1.00 14.37 C ATOM 826 O ALA A 57 54.131 4.016 25.208 1.00 15.13 O ATOM 827 CB ALA A 57 52.706 1.964 23.279 1.00 12.36 C ATOM 0 H ALA A 57 53.947 2.608 21.221 1.00 9.17 H new ATOM 0 HA ALA A 57 52.488 4.106 23.208 1.00 12.52 H new ATOM 0 HB1 ALA A 57 52.333 1.877 24.300 1.00 12.36 H new ATOM 0 HB2 ALA A 57 51.889 1.790 22.578 1.00 12.36 H new ATOM 0 HB3 ALA A 57 53.489 1.224 23.114 1.00 12.36 H new ATOM 833 N ASP A 58 55.630 3.411 23.643 1.00 14.32 N ATOM 834 CA ASP A 58 56.776 3.627 24.519 1.00 13.48 C ATOM 835 C ASP A 58 57.138 5.107 24.574 1.00 13.08 C ATOM 836 O ASP A 58 57.941 5.530 25.406 1.00 14.09 O ATOM 837 CB ASP A 58 57.977 2.824 24.015 1.00 11.69 C ATOM 838 CG ASP A 58 57.521 1.453 23.528 1.00 12.70 C ATOM 839 OD1 ASP A 58 57.906 0.471 24.140 1.00 6.62 O ATOM 840 OD2 ASP A 58 56.794 1.406 22.549 1.00 9.36 O ATOM 0 H ASP A 58 55.866 3.088 22.705 1.00 14.32 H new ATOM 0 HA ASP A 58 56.510 3.293 25.522 1.00 13.48 H new ATOM 0 HB2 ASP A 58 58.470 3.361 23.205 1.00 11.69 H new ATOM 0 HB3 ASP A 58 58.710 2.710 24.814 1.00 11.69 H new ATOM 845 N GLY A 59 56.540 5.891 23.683 1.00 13.64 N ATOM 846 CA GLY A 59 56.807 7.324 23.640 1.00 12.80 C ATOM 847 C GLY A 59 58.300 7.604 23.770 1.00 12.45 C ATOM 848 O GLY A 59 58.705 8.711 24.123 1.00 11.32 O ATOM 0 H GLY A 59 55.872 5.562 22.986 1.00 13.64 H new ATOM 0 HA2 GLY A 59 56.435 7.739 22.703 1.00 12.80 H new ATOM 0 HA3 GLY A 59 56.268 7.823 24.446 1.00 12.80 H new ATOM 852 N ASP A 60 59.113 6.593 23.483 1.00 10.86 N ATOM 853 CA ASP A 60 60.561 6.742 23.571 1.00 11.08 C ATOM 854 C ASP A 60 61.049 7.816 22.605 1.00 11.89 C ATOM 855 O ASP A 60 62.218 8.202 22.630 1.00 13.26 O ATOM 856 CB ASP A 60 61.243 5.412 23.245 1.00 13.03 C ATOM 857 CG ASP A 60 60.694 4.850 21.939 1.00 13.27 C ATOM 858 OD1 ASP A 60 61.218 3.849 21.480 1.00 9.09 O ATOM 859 OD2 ASP A 60 59.756 5.430 21.415 1.00 7.54 O ATOM 0 H ASP A 60 58.797 5.668 23.190 1.00 10.86 H new ATOM 0 HA ASP A 60 60.816 7.041 24.588 1.00 11.08 H new ATOM 0 HB2 ASP A 60 62.320 5.557 23.164 1.00 13.03 H new ATOM 0 HB3 ASP A 60 61.077 4.701 24.054 1.00 13.03 H new ATOM 864 N GLY A 61 60.147 8.295 21.755 1.00 11.65 N ATOM 865 CA GLY A 61 60.497 9.325 20.784 1.00 9.60 C ATOM 866 C GLY A 61 60.750 8.716 19.410 1.00 9.33 C ATOM 867 O GLY A 61 60.877 9.432 18.417 1.00 7.68 O ATOM 0 H GLY A 61 59.175 7.989 21.718 1.00 11.65 H new ATOM 0 HA2 GLY A 61 59.692 10.057 20.719 1.00 9.60 H new ATOM 0 HA3 GLY A 61 61.387 9.858 21.119 1.00 9.60 H new ATOM 871 N THR A 62 60.822 7.390 19.360 1.00 6.58 N ATOM 872 CA THR A 62 61.060 6.694 18.101 1.00 6.33 C ATOM 873 C THR A 62 60.007 5.614 17.877 1.00 7.13 C ATOM 874 O THR A 62 59.233 5.292 18.779 1.00 6.30 O ATOM 875 CB THR A 62 62.452 6.058 18.110 1.00 7.99 C ATOM 876 OG1 THR A 62 62.884 5.890 19.453 1.00 9.62 O ATOM 877 CG2 THR A 62 63.434 6.964 17.365 1.00 11.55 C ATOM 0 H THR A 62 60.720 6.779 20.171 1.00 6.58 H new ATOM 0 HA THR A 62 60.997 7.420 17.290 1.00 6.33 H new ATOM 0 HB THR A 62 62.412 5.087 17.616 1.00 7.99 H new ATOM 0 HG1 THR A 62 63.775 5.481 19.461 1.00 9.62 H new ATOM 0 HG21 THR A 62 64.425 6.510 17.372 1.00 11.55 H new ATOM 0 HG22 THR A 62 63.101 7.092 16.335 1.00 11.55 H new ATOM 0 HG23 THR A 62 63.477 7.936 17.856 1.00 11.55 H new ATOM 885 N ILE A 63 59.983 5.058 16.670 1.00 7.32 N ATOM 886 CA ILE A 63 59.019 4.015 16.340 1.00 8.34 C ATOM 887 C ILE A 63 59.735 2.734 15.926 1.00 8.66 C ATOM 888 O ILE A 63 60.335 2.665 14.853 1.00 7.62 O ATOM 889 CB ILE A 63 58.111 4.484 15.203 1.00 8.46 C ATOM 890 CG1 ILE A 63 57.242 5.645 15.692 1.00 10.06 C ATOM 891 CG2 ILE A 63 57.212 3.329 14.757 1.00 7.97 C ATOM 892 CD1 ILE A 63 56.384 6.164 14.536 1.00 9.28 C ATOM 0 H ILE A 63 60.615 5.310 15.910 1.00 7.32 H new ATOM 0 HA ILE A 63 58.417 3.811 17.225 1.00 8.34 H new ATOM 0 HB ILE A 63 58.722 4.814 14.363 1.00 8.46 H new ATOM 0 HG12 ILE A 63 56.604 5.315 16.512 1.00 10.06 H new ATOM 0 HG13 ILE A 63 57.871 6.446 16.080 1.00 10.06 H new ATOM 0 HG21 ILE A 63 56.565 3.664 13.946 1.00 7.97 H new ATOM 0 HG22 ILE A 63 57.829 2.501 14.410 1.00 7.97 H new ATOM 0 HG23 ILE A 63 56.600 2.999 15.597 1.00 7.97 H new ATOM 0 HD11 ILE A 63 55.765 6.991 14.885 1.00 9.28 H new ATOM 0 HD12 ILE A 63 57.031 6.510 13.730 1.00 9.28 H new ATOM 0 HD13 ILE A 63 55.744 5.362 14.169 1.00 9.28 H new ATOM 904 N ASP A 64 59.667 1.721 16.784 1.00 8.67 N ATOM 905 CA ASP A 64 60.311 0.444 16.497 1.00 8.18 C ATOM 906 C ASP A 64 59.464 -0.370 15.522 1.00 5.74 C ATOM 907 O ASP A 64 58.235 -0.305 15.553 1.00 3.75 O ATOM 908 CB ASP A 64 60.506 -0.340 17.796 1.00 8.75 C ATOM 909 CG ASP A 64 60.595 0.622 18.976 1.00 7.61 C ATOM 910 OD1 ASP A 64 61.496 0.459 19.782 1.00 11.33 O ATOM 911 OD2 ASP A 64 59.760 1.509 19.056 1.00 9.97 O ATOM 0 H ASP A 64 59.176 1.758 17.677 1.00 8.67 H new ATOM 0 HA ASP A 64 61.283 0.634 16.041 1.00 8.18 H new ATOM 0 HB2 ASP A 64 59.676 -1.031 17.941 1.00 8.75 H new ATOM 0 HB3 ASP A 64 61.414 -0.940 17.736 1.00 8.75 H new ATOM 916 N PHE A 65 60.125 -1.130 14.653 1.00 6.48 N ATOM 917 CA PHE A 65 59.412 -1.942 13.673 1.00 6.44 C ATOM 918 C PHE A 65 58.583 -3.028 14.361 1.00 6.12 C ATOM 919 O PHE A 65 57.460 -3.311 13.943 1.00 4.44 O ATOM 920 CB PHE A 65 60.401 -2.573 12.685 1.00 5.02 C ATOM 921 CG PHE A 65 59.837 -3.869 12.151 1.00 5.00 C ATOM 922 CD1 PHE A 65 59.314 -3.923 10.854 1.00 7.40 C ATOM 923 CD2 PHE A 65 59.836 -5.016 12.954 1.00 5.31 C ATOM 924 CE1 PHE A 65 58.790 -5.123 10.359 1.00 6.56 C ATOM 925 CE2 PHE A 65 59.312 -6.217 12.459 1.00 7.32 C ATOM 926 CZ PHE A 65 58.789 -6.270 11.162 1.00 5.90 C ATOM 0 H PHE A 65 61.142 -1.200 14.607 1.00 6.48 H new ATOM 0 HA PHE A 65 58.731 -1.292 13.124 1.00 6.44 H new ATOM 0 HB2 PHE A 65 60.596 -1.885 11.863 1.00 5.02 H new ATOM 0 HB3 PHE A 65 61.355 -2.757 13.179 1.00 5.02 H new ATOM 0 HD1 PHE A 65 59.315 -3.038 10.235 1.00 7.40 H new ATOM 0 HD2 PHE A 65 60.239 -4.975 13.955 1.00 5.31 H new ATOM 0 HE1 PHE A 65 58.387 -5.164 9.358 1.00 6.56 H new ATOM 0 HE2 PHE A 65 59.312 -7.102 13.078 1.00 7.32 H new ATOM 0 HZ PHE A 65 58.385 -7.196 10.780 1.00 5.90 H new ATOM 936 N PRO A 66 59.101 -3.635 15.399 1.00 5.59 N ATOM 937 CA PRO A 66 58.372 -4.704 16.143 1.00 3.90 C ATOM 938 C PRO A 66 56.966 -4.260 16.538 1.00 4.48 C ATOM 939 O PRO A 66 56.001 -5.008 16.385 1.00 6.66 O ATOM 940 CB PRO A 66 59.235 -4.948 17.382 1.00 6.57 C ATOM 941 CG PRO A 66 60.605 -4.486 17.013 1.00 2.24 C ATOM 942 CD PRO A 66 60.429 -3.375 15.978 1.00 3.70 C ATOM 0 HA PRO A 66 58.233 -5.601 15.539 1.00 3.90 H new ATOM 0 HB2 PRO A 66 58.853 -4.396 18.241 1.00 6.57 H new ATOM 0 HB3 PRO A 66 59.238 -6.003 17.657 1.00 6.57 H new ATOM 0 HG2 PRO A 66 61.139 -4.118 17.889 1.00 2.24 H new ATOM 0 HG3 PRO A 66 61.193 -5.307 16.603 1.00 2.24 H new ATOM 0 HD2 PRO A 66 60.477 -2.389 16.439 1.00 3.70 H new ATOM 0 HD3 PRO A 66 61.210 -3.410 15.218 1.00 3.70 H new ATOM 950 N GLU A 67 56.861 -3.035 17.044 1.00 3.17 N ATOM 951 CA GLU A 67 55.570 -2.497 17.455 1.00 5.95 C ATOM 952 C GLU A 67 54.807 -1.964 16.247 1.00 6.62 C ATOM 953 O GLU A 67 53.597 -1.749 16.309 1.00 3.48 O ATOM 954 CB GLU A 67 55.772 -1.370 18.471 1.00 5.69 C ATOM 955 CG GLU A 67 56.693 -1.852 19.593 1.00 5.12 C ATOM 956 CD GLU A 67 57.503 -0.681 20.141 1.00 3.86 C ATOM 957 OE1 GLU A 67 57.359 -0.385 21.316 1.00 7.44 O ATOM 958 OE2 GLU A 67 58.255 -0.098 19.378 1.00 5.11 O ATOM 0 H GLU A 67 57.648 -2.401 17.178 1.00 3.17 H new ATOM 0 HA GLU A 67 54.991 -3.299 17.914 1.00 5.95 H new ATOM 0 HB2 GLU A 67 56.204 -0.498 17.981 1.00 5.69 H new ATOM 0 HB3 GLU A 67 54.811 -1.061 18.883 1.00 5.69 H new ATOM 0 HG2 GLU A 67 56.103 -2.302 20.391 1.00 5.12 H new ATOM 0 HG3 GLU A 67 57.364 -2.625 19.218 1.00 5.12 H new ATOM 965 N PHE A 68 55.524 -1.755 15.147 1.00 6.05 N ATOM 966 CA PHE A 68 54.904 -1.250 13.929 1.00 4.52 C ATOM 967 C PHE A 68 54.021 -2.321 13.295 1.00 3.96 C ATOM 968 O PHE A 68 53.072 -2.011 12.575 1.00 5.29 O ATOM 969 CB PHE A 68 55.983 -0.820 12.933 1.00 4.53 C ATOM 970 CG PHE A 68 55.374 0.088 11.891 1.00 2.68 C ATOM 971 CD1 PHE A 68 54.912 1.359 12.255 1.00 8.58 C ATOM 972 CD2 PHE A 68 55.273 -0.340 10.562 1.00 2.58 C ATOM 973 CE1 PHE A 68 54.347 2.201 11.289 1.00 5.36 C ATOM 974 CE2 PHE A 68 54.708 0.503 9.597 1.00 7.42 C ATOM 975 CZ PHE A 68 54.246 1.773 9.960 1.00 2.84 C ATOM 0 H PHE A 68 56.527 -1.926 15.075 1.00 6.05 H new ATOM 0 HA PHE A 68 54.286 -0.390 14.187 1.00 4.52 H new ATOM 0 HB2 PHE A 68 56.789 -0.304 13.454 1.00 4.53 H new ATOM 0 HB3 PHE A 68 56.422 -1.696 12.455 1.00 4.53 H new ATOM 0 HD1 PHE A 68 54.991 1.690 13.280 1.00 8.58 H new ATOM 0 HD2 PHE A 68 55.631 -1.320 10.281 1.00 2.58 H new ATOM 0 HE1 PHE A 68 53.989 3.181 11.569 1.00 5.36 H new ATOM 0 HE2 PHE A 68 54.629 0.173 8.572 1.00 7.42 H new ATOM 0 HZ PHE A 68 53.812 2.423 9.215 1.00 2.84 H new ATOM 985 N LEU A 69 54.338 -3.581 13.573 1.00 3.21 N ATOM 986 CA LEU A 69 53.566 -4.692 13.032 1.00 2.17 C ATOM 987 C LEU A 69 52.335 -4.956 13.893 1.00 2.00 C ATOM 988 O LEU A 69 51.252 -5.231 13.376 1.00 4.25 O ATOM 989 CB LEU A 69 54.434 -5.951 12.979 1.00 4.14 C ATOM 990 CG LEU A 69 54.252 -6.642 11.626 1.00 4.19 C ATOM 991 CD1 LEU A 69 55.310 -7.735 11.465 1.00 3.81 C ATOM 992 CD2 LEU A 69 52.858 -7.271 11.559 1.00 9.43 C ATOM 0 H LEU A 69 55.120 -3.857 14.167 1.00 3.21 H new ATOM 0 HA LEU A 69 53.242 -4.431 12.025 1.00 2.17 H new ATOM 0 HB2 LEU A 69 55.482 -5.689 13.127 1.00 4.14 H new ATOM 0 HB3 LEU A 69 54.158 -6.630 13.786 1.00 4.14 H new ATOM 0 HG LEU A 69 54.361 -5.909 10.826 1.00 4.19 H new ATOM 0 HD11 LEU A 69 55.181 -8.227 10.501 1.00 3.81 H new ATOM 0 HD12 LEU A 69 56.304 -7.290 11.514 1.00 3.81 H new ATOM 0 HD13 LEU A 69 55.201 -8.468 12.264 1.00 3.81 H new ATOM 0 HD21 LEU A 69 52.727 -7.764 10.596 1.00 9.43 H new ATOM 0 HD22 LEU A 69 52.751 -8.004 12.359 1.00 9.43 H new ATOM 0 HD23 LEU A 69 52.102 -6.494 11.675 1.00 9.43 H new ATOM 1004 N THR A 70 52.509 -4.873 15.209 1.00 3.70 N ATOM 1005 CA THR A 70 51.404 -5.109 16.131 1.00 5.12 C ATOM 1006 C THR A 70 50.369 -3.993 16.023 1.00 5.47 C ATOM 1007 O THR A 70 49.166 -4.238 16.116 1.00 6.71 O ATOM 1008 CB THR A 70 51.928 -5.193 17.568 1.00 6.65 C ATOM 1009 OG1 THR A 70 51.100 -6.069 18.321 1.00 7.41 O ATOM 1010 CG2 THR A 70 51.916 -3.804 18.208 1.00 7.53 C ATOM 0 H THR A 70 53.397 -4.646 15.657 1.00 3.70 H new ATOM 0 HA THR A 70 50.929 -6.054 15.866 1.00 5.12 H new ATOM 0 HB THR A 70 52.950 -5.573 17.557 1.00 6.65 H new ATOM 0 HG1 THR A 70 51.434 -6.126 19.240 1.00 7.41 H new ATOM 0 HG21 THR A 70 52.290 -3.871 19.230 1.00 7.53 H new ATOM 0 HG22 THR A 70 52.553 -3.132 17.632 1.00 7.53 H new ATOM 0 HG23 THR A 70 50.897 -3.417 18.219 1.00 7.53 H new ATOM 1018 N MET A 71 50.845 -2.768 15.823 1.00 4.38 N ATOM 1019 CA MET A 71 49.950 -1.623 15.702 1.00 6.23 C ATOM 1020 C MET A 71 49.015 -1.801 14.510 1.00 7.97 C ATOM 1021 O MET A 71 47.858 -1.383 14.548 1.00 7.91 O ATOM 1022 CB MET A 71 50.764 -0.339 15.529 1.00 7.76 C ATOM 1023 CG MET A 71 51.093 -0.138 14.049 1.00 9.30 C ATOM 1024 SD MET A 71 49.656 0.563 13.201 1.00 11.86 S ATOM 1025 CE MET A 71 50.551 1.314 11.820 1.00 11.60 C ATOM 0 H MET A 71 51.837 -2.544 15.742 1.00 4.38 H new ATOM 0 HA MET A 71 49.353 -1.553 16.611 1.00 6.23 H new ATOM 0 HB2 MET A 71 50.201 0.515 15.906 1.00 7.76 H new ATOM 0 HB3 MET A 71 51.683 -0.397 16.112 1.00 7.76 H new ATOM 0 HG2 MET A 71 51.951 0.526 13.943 1.00 9.30 H new ATOM 0 HG3 MET A 71 51.369 -1.090 13.594 1.00 9.30 H new ATOM 0 HE1 MET A 71 49.843 1.608 11.045 1.00 11.60 H new ATOM 0 HE2 MET A 71 51.091 2.194 12.171 1.00 11.60 H new ATOM 0 HE3 MET A 71 51.259 0.594 11.411 1.00 11.60 H new ATOM 1035 N MET A 72 49.526 -2.423 13.452 1.00 9.49 N ATOM 1036 CA MET A 72 48.727 -2.652 12.254 1.00 9.20 C ATOM 1037 C MET A 72 47.847 -3.886 12.425 1.00 8.73 C ATOM 1038 O MET A 72 46.647 -3.847 12.154 1.00 8.56 O ATOM 1039 CB MET A 72 49.644 -2.841 11.043 1.00 11.85 C ATOM 1040 CG MET A 72 49.645 -1.566 10.198 1.00 12.33 C ATOM 1041 SD MET A 72 48.250 -1.606 9.046 1.00 22.32 S ATOM 1042 CE MET A 72 47.565 0.016 9.464 1.00 15.46 C ATOM 0 H MET A 72 50.482 -2.775 13.400 1.00 9.49 H new ATOM 0 HA MET A 72 48.088 -1.783 12.094 1.00 9.20 H new ATOM 0 HB2 MET A 72 50.657 -3.072 11.373 1.00 11.85 H new ATOM 0 HB3 MET A 72 49.304 -3.686 10.444 1.00 11.85 H new ATOM 0 HG2 MET A 72 49.574 -0.690 10.842 1.00 12.33 H new ATOM 0 HG3 MET A 72 50.582 -1.482 9.648 1.00 12.33 H new ATOM 0 HE1 MET A 72 46.678 0.203 8.859 1.00 15.46 H new ATOM 0 HE2 MET A 72 47.295 0.036 10.520 1.00 15.46 H new ATOM 0 HE3 MET A 72 48.309 0.787 9.265 1.00 15.46 H new ATOM 1052 N ALA A 73 48.452 -4.980 12.875 1.00 8.08 N ATOM 1053 CA ALA A 73 47.713 -6.221 13.078 1.00 7.41 C ATOM 1054 C ALA A 73 46.619 -6.027 14.123 1.00 8.06 C ATOM 1055 O ALA A 73 45.444 -6.284 13.859 1.00 5.90 O ATOM 1056 CB ALA A 73 48.666 -7.328 13.534 1.00 9.15 C ATOM 0 H ALA A 73 49.444 -5.033 13.105 1.00 8.08 H new ATOM 0 HA ALA A 73 47.251 -6.506 12.133 1.00 7.41 H new ATOM 0 HB1 ALA A 73 48.106 -8.251 13.683 1.00 9.15 H new ATOM 0 HB2 ALA A 73 49.431 -7.486 12.773 1.00 9.15 H new ATOM 0 HB3 ALA A 73 49.141 -7.036 14.471 1.00 9.15 H new ATOM 1062 N ARG A 74 47.012 -5.573 15.308 1.00 7.07 N ATOM 1063 CA ARG A 74 46.055 -5.349 16.385 1.00 10.51 C ATOM 1064 C ARG A 74 44.835 -4.593 15.869 1.00 13.70 C ATOM 1065 O ARG A 74 43.702 -4.897 16.241 1.00 13.80 O ATOM 1066 CB ARG A 74 46.714 -4.549 17.511 1.00 9.06 C ATOM 1067 CG ARG A 74 45.683 -4.260 18.603 1.00 8.61 C ATOM 1068 CD ARG A 74 46.399 -3.792 19.871 1.00 8.72 C ATOM 1069 NE ARG A 74 47.231 -4.863 20.406 1.00 7.70 N ATOM 1070 CZ ARG A 74 47.877 -4.722 21.558 1.00 10.03 C ATOM 1071 NH1 ARG A 74 48.616 -5.695 22.016 1.00 9.17 N ATOM 1072 NH2 ARG A 74 47.773 -3.609 22.233 1.00 12.90 N ATOM 0 H ARG A 74 47.979 -5.354 15.546 1.00 7.07 H new ATOM 0 HA ARG A 74 45.733 -6.318 16.767 1.00 10.51 H new ATOM 0 HB2 ARG A 74 47.552 -5.108 17.926 1.00 9.06 H new ATOM 0 HB3 ARG A 74 47.117 -3.615 17.120 1.00 9.06 H new ATOM 0 HG2 ARG A 74 44.984 -3.495 18.264 1.00 8.61 H new ATOM 0 HG3 ARG A 74 45.099 -5.156 18.812 1.00 8.61 H new ATOM 0 HD2 ARG A 74 47.015 -2.920 19.649 1.00 8.72 H new ATOM 0 HD3 ARG A 74 45.667 -3.483 20.617 1.00 8.72 H new ATOM 0 HE ARG A 74 47.319 -5.736 19.886 1.00 7.70 H new ATOM 0 HH11 ARG A 74 48.698 -6.565 21.489 1.00 9.17 H new ATOM 0 HH12 ARG A 74 49.112 -5.586 22.901 1.00 9.17 H new ATOM 0 HH21 ARG A 74 47.196 -2.848 21.876 1.00 12.90 H new ATOM 0 HH22 ARG A 74 48.269 -3.501 23.118 1.00 12.90 H new ATOM 1086 N LYS A 75 45.075 -3.607 15.010 1.00 16.35 N ATOM 1087 CA LYS A 75 43.988 -2.814 14.449 1.00 20.00 C ATOM 1088 C LYS A 75 42.910 -3.721 13.863 1.00 24.09 C ATOM 1089 O LYS A 75 41.726 -3.568 14.163 1.00 25.18 O ATOM 1090 CB LYS A 75 44.527 -1.887 13.358 1.00 19.04 C ATOM 1091 CG LYS A 75 43.446 -0.879 12.963 1.00 19.89 C ATOM 1092 CD LYS A 75 43.588 0.382 13.817 1.00 18.07 C ATOM 1093 CE LYS A 75 44.504 1.380 13.107 1.00 18.98 C ATOM 1094 NZ LYS A 75 44.718 2.568 13.981 1.00 19.67 N ATOM 0 H LYS A 75 46.006 -3.340 14.689 1.00 16.35 H new ATOM 0 HA LYS A 75 43.549 -2.217 15.248 1.00 20.00 H new ATOM 0 HB2 LYS A 75 45.413 -1.364 13.716 1.00 19.04 H new ATOM 0 HB3 LYS A 75 44.831 -2.470 12.488 1.00 19.04 H new ATOM 0 HG2 LYS A 75 43.537 -0.628 11.906 1.00 19.89 H new ATOM 0 HG3 LYS A 75 42.457 -1.316 13.103 1.00 19.89 H new ATOM 0 HD2 LYS A 75 42.609 0.830 13.989 1.00 18.07 H new ATOM 0 HD3 LYS A 75 43.998 0.128 14.794 1.00 18.07 H new ATOM 0 HE2 LYS A 75 45.459 0.910 12.874 1.00 18.98 H new ATOM 0 HE3 LYS A 75 44.060 1.687 12.160 1.00 18.98 H new ATOM 0 HZ1 LYS A 75 45.341 3.247 13.498 1.00 19.67 H new ATOM 0 HZ2 LYS A 75 43.803 3.020 14.182 1.00 19.67 H new ATOM 0 HZ3 LYS A 75 45.159 2.267 14.873 1.00 19.67 H new ATOM 1108 N MET A 76 43.329 -4.664 13.025 1.00 27.98 N ATOM 1109 CA MET A 76 42.390 -5.590 12.402 1.00 31.28 C ATOM 1110 C MET A 76 41.629 -6.378 13.463 1.00 33.28 C ATOM 1111 O MET A 76 40.500 -6.813 13.237 1.00 34.71 O ATOM 1112 CB MET A 76 43.141 -6.558 11.486 1.00 31.71 C ATOM 1113 CG MET A 76 43.474 -5.858 10.167 1.00 33.18 C ATOM 1114 SD MET A 76 44.996 -6.558 9.480 1.00 34.79 S ATOM 1115 CE MET A 76 44.215 -7.781 8.398 1.00 33.37 C ATOM 0 H MET A 76 44.304 -4.807 12.763 1.00 27.98 H new ATOM 0 HA MET A 76 41.677 -5.013 11.814 1.00 31.28 H new ATOM 0 HB2 MET A 76 44.056 -6.898 11.971 1.00 31.71 H new ATOM 0 HB3 MET A 76 42.533 -7.443 11.297 1.00 31.71 H new ATOM 0 HG2 MET A 76 42.653 -5.981 9.460 1.00 33.18 H new ATOM 0 HG3 MET A 76 43.595 -4.787 10.332 1.00 33.18 H new ATOM 0 HE1 MET A 76 44.985 -8.340 7.865 1.00 33.37 H new ATOM 0 HE2 MET A 76 43.617 -8.468 8.997 1.00 33.37 H new ATOM 0 HE3 MET A 76 43.572 -7.273 7.679 1.00 33.37 H new ATOM 1125 N LYS A 77 42.256 -6.559 14.621 1.00 35.40 N ATOM 1126 CA LYS A 77 41.628 -7.298 15.710 1.00 36.50 C ATOM 1127 C LYS A 77 40.919 -6.345 16.667 1.00 37.55 C ATOM 1128 O LYS A 77 40.963 -6.524 17.884 1.00 37.57 O ATOM 1129 CB LYS A 77 42.684 -8.098 16.475 1.00 36.85 C ATOM 1130 CG LYS A 77 43.289 -9.158 15.553 1.00 37.43 C ATOM 1131 CD LYS A 77 42.450 -10.436 15.623 1.00 37.60 C ATOM 1132 CE LYS A 77 43.206 -11.581 14.947 1.00 37.65 C ATOM 1133 NZ LYS A 77 44.158 -12.190 15.918 1.00 35.44 N ATOM 0 H LYS A 77 43.191 -6.207 14.829 1.00 35.40 H new ATOM 0 HA LYS A 77 40.893 -7.980 15.283 1.00 36.50 H new ATOM 0 HB2 LYS A 77 43.465 -7.432 16.842 1.00 36.85 H new ATOM 0 HB3 LYS A 77 42.234 -8.573 17.347 1.00 36.85 H new ATOM 0 HG2 LYS A 77 43.322 -8.788 14.528 1.00 37.43 H new ATOM 0 HG3 LYS A 77 44.317 -9.369 15.849 1.00 37.43 H new ATOM 0 HD2 LYS A 77 42.239 -10.689 16.662 1.00 37.60 H new ATOM 0 HD3 LYS A 77 41.489 -10.280 15.132 1.00 37.60 H new ATOM 0 HE2 LYS A 77 42.503 -12.334 14.590 1.00 37.65 H new ATOM 0 HE3 LYS A 77 43.746 -11.210 14.076 1.00 37.65 H new ATOM 0 HZ1 LYS A 77 44.672 -12.969 15.458 1.00 35.44 H new ATOM 0 HZ2 LYS A 77 44.836 -11.469 16.238 1.00 35.44 H new ATOM 0 HZ3 LYS A 77 43.632 -12.558 16.736 1.00 35.44 H new ATOM 1147 N ASP A 78 40.265 -5.331 16.108 1.00 38.44 N ATOM 1148 CA ASP A 78 39.550 -4.355 16.922 1.00 38.90 C ATOM 1149 C ASP A 78 38.467 -3.663 16.100 1.00 38.64 C ATOM 1150 O ASP A 78 38.351 -3.886 14.895 1.00 38.62 O ATOM 1151 CB ASP A 78 40.527 -3.311 17.465 1.00 39.45 C ATOM 1152 CG ASP A 78 41.168 -3.816 18.753 1.00 40.62 C ATOM 1153 OD1 ASP A 78 42.360 -4.075 18.736 1.00 41.55 O ATOM 1154 OD2 ASP A 78 40.457 -3.937 19.737 1.00 42.58 O ATOM 0 H ASP A 78 40.216 -5.165 15.103 1.00 38.44 H new ATOM 0 HA ASP A 78 39.080 -4.879 17.754 1.00 38.90 H new ATOM 0 HB2 ASP A 78 41.298 -3.102 16.723 1.00 39.45 H new ATOM 0 HB3 ASP A 78 40.003 -2.374 17.653 1.00 39.45 H new ATOM 1159 N THR A 79 37.676 -2.823 16.761 1.00 38.19 N ATOM 1160 CA THR A 79 36.605 -2.103 16.081 1.00 37.86 C ATOM 1161 C THR A 79 37.179 -1.011 15.185 1.00 37.73 C ATOM 1162 O THR A 79 38.312 -0.569 15.377 1.00 37.97 O ATOM 1163 CB THR A 79 35.661 -1.478 17.110 1.00 37.85 C ATOM 1164 OG1 THR A 79 34.655 -0.734 16.437 1.00 37.57 O ATOM 1165 CG2 THR A 79 36.451 -0.552 18.035 1.00 38.40 C ATOM 0 H THR A 79 37.755 -2.625 17.759 1.00 38.19 H new ATOM 0 HA THR A 79 36.052 -2.810 15.463 1.00 37.86 H new ATOM 0 HB THR A 79 35.196 -2.266 17.702 1.00 37.85 H new ATOM 0 HG1 THR A 79 34.048 -0.334 17.095 1.00 37.57 H new ATOM 0 HG21 THR A 79 35.777 -0.108 18.767 1.00 38.40 H new ATOM 0 HG22 THR A 79 37.221 -1.125 18.551 1.00 38.40 H new ATOM 0 HG23 THR A 79 36.919 0.237 17.447 1.00 38.40 H new ATOM 1173 N ASP A 80 36.391 -0.580 14.206 1.00 36.93 N ATOM 1174 CA ASP A 80 36.832 0.462 13.285 1.00 35.96 C ATOM 1175 C ASP A 80 35.773 1.553 13.163 1.00 34.62 C ATOM 1176 O ASP A 80 34.595 1.321 13.433 1.00 34.15 O ATOM 1177 CB ASP A 80 37.107 -0.142 11.907 1.00 36.21 C ATOM 1178 CG ASP A 80 35.853 -0.830 11.378 1.00 36.84 C ATOM 1179 OD1 ASP A 80 35.095 -0.179 10.677 1.00 37.34 O ATOM 1180 OD2 ASP A 80 35.668 -1.997 11.682 1.00 37.51 O ATOM 0 H ASP A 80 35.450 -0.933 14.030 1.00 36.93 H new ATOM 0 HA ASP A 80 37.748 0.904 13.677 1.00 35.96 H new ATOM 0 HB2 ASP A 80 37.422 0.639 11.215 1.00 36.21 H new ATOM 0 HB3 ASP A 80 37.925 -0.859 11.972 1.00 36.21 H new ATOM 1185 N SER A 81 36.202 2.743 12.754 1.00 33.12 N ATOM 1186 CA SER A 81 35.282 3.864 12.600 1.00 32.50 C ATOM 1187 C SER A 81 35.157 4.256 11.131 1.00 31.96 C ATOM 1188 O SER A 81 36.158 4.477 10.450 1.00 32.51 O ATOM 1189 CB SER A 81 35.779 5.062 13.409 1.00 32.54 C ATOM 1190 OG SER A 81 36.814 4.639 14.287 1.00 31.58 O ATOM 0 H SER A 81 37.173 2.955 12.525 1.00 33.12 H new ATOM 0 HA SER A 81 34.302 3.559 12.968 1.00 32.50 H new ATOM 0 HB2 SER A 81 36.149 5.839 12.740 1.00 32.54 H new ATOM 0 HB3 SER A 81 34.958 5.496 13.979 1.00 32.54 H new ATOM 0 HG SER A 81 37.136 5.405 14.806 1.00 31.58 H new ATOM 1196 N GLU A 82 33.921 4.340 10.649 1.00 30.82 N ATOM 1197 CA GLU A 82 33.677 4.707 9.259 1.00 29.89 C ATOM 1198 C GLU A 82 34.337 6.042 8.933 1.00 28.70 C ATOM 1199 O GLU A 82 34.414 6.441 7.771 1.00 28.16 O ATOM 1200 CB GLU A 82 32.172 4.803 9.000 1.00 30.37 C ATOM 1201 CG GLU A 82 31.559 5.850 9.932 1.00 31.12 C ATOM 1202 CD GLU A 82 30.050 5.648 10.022 1.00 32.64 C ATOM 1203 OE1 GLU A 82 29.528 4.874 9.236 1.00 34.28 O ATOM 1204 OE2 GLU A 82 29.439 6.270 10.875 1.00 32.86 O ATOM 0 H GLU A 82 33.079 4.160 11.196 1.00 30.82 H new ATOM 0 HA GLU A 82 34.107 3.936 8.619 1.00 29.89 H new ATOM 0 HB2 GLU A 82 31.988 5.074 7.960 1.00 30.37 H new ATOM 0 HB3 GLU A 82 31.701 3.834 9.165 1.00 30.37 H new ATOM 0 HG2 GLU A 82 32.005 5.772 10.924 1.00 31.12 H new ATOM 0 HG3 GLU A 82 31.779 6.851 9.562 1.00 31.12 H new ATOM 1211 N GLU A 83 34.812 6.730 9.967 1.00 27.40 N ATOM 1212 CA GLU A 83 35.465 8.021 9.778 1.00 26.44 C ATOM 1213 C GLU A 83 36.700 7.874 8.895 1.00 24.80 C ATOM 1214 O GLU A 83 36.785 8.478 7.826 1.00 24.59 O ATOM 1215 CB GLU A 83 35.870 8.603 11.133 1.00 26.68 C ATOM 1216 CG GLU A 83 34.627 8.776 12.008 1.00 28.12 C ATOM 1217 CD GLU A 83 33.584 9.610 11.273 1.00 29.86 C ATOM 1218 OE1 GLU A 83 33.820 10.792 11.090 1.00 30.91 O ATOM 1219 OE2 GLU A 83 32.563 9.053 10.903 1.00 30.49 O ATOM 0 H GLU A 83 34.758 6.418 10.937 1.00 27.40 H new ATOM 0 HA GLU A 83 34.762 8.695 9.288 1.00 26.44 H new ATOM 0 HB2 GLU A 83 36.585 7.943 11.625 1.00 26.68 H new ATOM 0 HB3 GLU A 83 36.366 9.564 10.994 1.00 26.68 H new ATOM 0 HG2 GLU A 83 34.212 7.801 12.261 1.00 28.12 H new ATOM 0 HG3 GLU A 83 34.897 9.261 12.946 1.00 28.12 H new ATOM 1226 N GLU A 84 37.654 7.069 9.350 1.00 22.86 N ATOM 1227 CA GLU A 84 38.882 6.851 8.593 1.00 21.10 C ATOM 1228 C GLU A 84 38.565 6.555 7.131 1.00 19.58 C ATOM 1229 O GLU A 84 39.031 7.253 6.231 1.00 18.69 O ATOM 1230 CB GLU A 84 39.666 5.683 9.194 1.00 21.32 C ATOM 1231 CG GLU A 84 41.150 6.046 9.264 1.00 21.26 C ATOM 1232 CD GLU A 84 41.742 6.092 7.859 1.00 20.61 C ATOM 1233 OE1 GLU A 84 41.300 5.318 7.026 1.00 18.73 O ATOM 1234 OE2 GLU A 84 42.629 6.900 7.637 1.00 19.88 O ATOM 0 H GLU A 84 37.602 6.560 10.232 1.00 22.86 H new ATOM 0 HA GLU A 84 39.485 7.758 8.646 1.00 21.10 H new ATOM 0 HB2 GLU A 84 39.290 5.453 10.191 1.00 21.32 H new ATOM 0 HB3 GLU A 84 39.528 4.788 8.587 1.00 21.32 H new ATOM 0 HG2 GLU A 84 41.274 7.013 9.752 1.00 21.26 H new ATOM 0 HG3 GLU A 84 41.684 5.313 9.869 1.00 21.26 H new ATOM 1241 N ILE A 85 37.770 5.514 6.901 1.00 18.05 N ATOM 1242 CA ILE A 85 37.398 5.134 5.543 1.00 17.24 C ATOM 1243 C ILE A 85 37.052 6.369 4.717 1.00 15.64 C ATOM 1244 O ILE A 85 37.183 6.365 3.493 1.00 14.56 O ATOM 1245 CB ILE A 85 36.197 4.188 5.577 1.00 17.25 C ATOM 1246 CG1 ILE A 85 36.471 3.053 6.567 1.00 18.63 C ATOM 1247 CG2 ILE A 85 35.969 3.602 4.182 1.00 19.17 C ATOM 1248 CD1 ILE A 85 35.544 1.875 6.264 1.00 18.98 C ATOM 0 H ILE A 85 37.374 4.923 7.632 1.00 18.05 H new ATOM 0 HA ILE A 85 38.246 4.628 5.082 1.00 17.24 H new ATOM 0 HB ILE A 85 35.310 4.738 5.890 1.00 17.25 H new ATOM 0 HG12 ILE A 85 37.512 2.738 6.496 1.00 18.63 H new ATOM 0 HG13 ILE A 85 36.312 3.401 7.588 1.00 18.63 H new ATOM 0 HG21 ILE A 85 35.113 2.928 4.206 1.00 19.17 H new ATOM 0 HG22 ILE A 85 35.775 4.409 3.475 1.00 19.17 H new ATOM 0 HG23 ILE A 85 36.856 3.051 3.869 1.00 19.17 H new ATOM 0 HD11 ILE A 85 35.740 1.067 6.969 1.00 18.98 H new ATOM 0 HD12 ILE A 85 34.506 2.195 6.358 1.00 18.98 H new ATOM 0 HD13 ILE A 85 35.724 1.522 5.249 1.00 18.98 H new ATOM 1260 N ARG A 86 36.611 7.424 5.394 1.00 14.41 N ATOM 1261 CA ARG A 86 36.250 8.661 4.712 1.00 13.90 C ATOM 1262 C ARG A 86 37.489 9.513 4.457 1.00 12.70 C ATOM 1263 O ARG A 86 37.738 9.941 3.330 1.00 11.99 O ATOM 1264 CB ARG A 86 35.250 9.451 5.558 1.00 14.24 C ATOM 1265 CG ARG A 86 34.370 10.306 4.643 1.00 17.61 C ATOM 1266 CD ARG A 86 33.071 9.557 4.339 1.00 20.77 C ATOM 1267 NE ARG A 86 32.302 9.363 5.562 1.00 24.52 N ATOM 1268 CZ ARG A 86 31.000 9.099 5.521 1.00 25.58 C ATOM 1269 NH1 ARG A 86 30.333 8.929 6.629 1.00 26.77 N ATOM 1270 NH2 ARG A 86 30.388 9.010 4.371 1.00 26.85 N ATOM 0 H ARG A 86 36.496 7.448 6.407 1.00 14.41 H new ATOM 0 HA ARG A 86 35.795 8.407 3.755 1.00 13.90 H new ATOM 0 HB2 ARG A 86 34.632 8.768 6.141 1.00 14.24 H new ATOM 0 HB3 ARG A 86 35.780 10.086 6.268 1.00 14.24 H new ATOM 0 HG2 ARG A 86 34.149 11.260 5.121 1.00 17.61 H new ATOM 0 HG3 ARG A 86 34.899 10.529 3.716 1.00 17.61 H new ATOM 0 HD2 ARG A 86 32.480 10.118 3.615 1.00 20.77 H new ATOM 0 HD3 ARG A 86 33.297 8.592 3.886 1.00 20.77 H new ATOM 0 HE ARG A 86 32.771 9.431 6.465 1.00 24.52 H new ATOM 0 HH11 ARG A 86 30.811 8.999 7.528 1.00 26.77 H new ATOM 0 HH12 ARG A 86 29.334 8.726 6.597 1.00 26.77 H new ATOM 0 HH21 ARG A 86 30.909 9.143 3.504 1.00 26.85 H new ATOM 0 HH22 ARG A 86 29.389 8.807 4.339 1.00 26.85 H new ATOM 1284 N GLU A 87 38.262 9.753 5.510 1.00 11.87 N ATOM 1285 CA GLU A 87 39.474 10.555 5.388 1.00 11.27 C ATOM 1286 C GLU A 87 40.509 9.834 4.530 1.00 10.38 C ATOM 1287 O GLU A 87 41.089 10.419 3.616 1.00 9.38 O ATOM 1288 CB GLU A 87 40.060 10.830 6.774 1.00 11.16 C ATOM 1289 CG GLU A 87 40.620 12.252 6.819 1.00 12.67 C ATOM 1290 CD GLU A 87 41.810 12.314 7.770 1.00 13.78 C ATOM 1291 OE1 GLU A 87 42.630 11.412 7.721 1.00 15.83 O ATOM 1292 OE2 GLU A 87 41.885 13.263 8.533 1.00 16.48 O ATOM 0 H GLU A 87 38.074 9.407 6.451 1.00 11.87 H new ATOM 0 HA GLU A 87 39.216 11.499 4.909 1.00 11.27 H new ATOM 0 HB2 GLU A 87 39.291 10.707 7.537 1.00 11.16 H new ATOM 0 HB3 GLU A 87 40.848 10.110 6.997 1.00 11.16 H new ATOM 0 HG2 GLU A 87 40.926 12.563 5.820 1.00 12.67 H new ATOM 0 HG3 GLU A 87 39.846 12.946 7.146 1.00 12.67 H new ATOM 1299 N ALA A 88 40.734 8.559 4.831 1.00 9.34 N ATOM 1300 CA ALA A 88 41.701 7.767 4.081 1.00 9.01 C ATOM 1301 C ALA A 88 41.369 7.787 2.592 1.00 8.92 C ATOM 1302 O ALA A 88 42.247 7.985 1.753 1.00 8.79 O ATOM 1303 CB ALA A 88 41.699 6.323 4.587 1.00 9.91 C ATOM 0 H ALA A 88 40.264 8.056 5.583 1.00 9.34 H new ATOM 0 HA ALA A 88 42.690 8.201 4.228 1.00 9.01 H new ATOM 0 HB1 ALA A 88 42.424 5.738 4.021 1.00 9.91 H new ATOM 0 HB2 ALA A 88 41.965 6.307 5.644 1.00 9.91 H new ATOM 0 HB3 ALA A 88 40.706 5.893 4.457 1.00 9.91 H new ATOM 1309 N PHE A 89 40.096 7.580 2.273 1.00 7.54 N ATOM 1310 CA PHE A 89 39.659 7.577 0.881 1.00 7.23 C ATOM 1311 C PHE A 89 39.625 8.998 0.327 1.00 8.19 C ATOM 1312 O PHE A 89 40.199 9.278 -0.725 1.00 8.53 O ATOM 1313 CB PHE A 89 38.267 6.952 0.773 1.00 7.14 C ATOM 1314 CG PHE A 89 37.920 6.751 -0.682 1.00 5.05 C ATOM 1315 CD1 PHE A 89 38.051 5.485 -1.264 1.00 4.80 C ATOM 1316 CD2 PHE A 89 37.470 7.831 -1.449 1.00 5.56 C ATOM 1317 CE1 PHE A 89 37.731 5.299 -2.614 1.00 7.76 C ATOM 1318 CE2 PHE A 89 37.150 7.646 -2.799 1.00 2.16 C ATOM 1319 CZ PHE A 89 37.280 6.380 -3.382 1.00 6.19 C ATOM 0 H PHE A 89 39.354 7.413 2.953 1.00 7.54 H new ATOM 0 HA PHE A 89 40.368 6.989 0.298 1.00 7.23 H new ATOM 0 HB2 PHE A 89 38.243 5.998 1.299 1.00 7.14 H new ATOM 0 HB3 PHE A 89 37.529 7.597 1.249 1.00 7.14 H new ATOM 0 HD1 PHE A 89 38.399 4.652 -0.672 1.00 4.80 H new ATOM 0 HD2 PHE A 89 37.369 8.808 -0.999 1.00 5.56 H new ATOM 0 HE1 PHE A 89 37.832 4.322 -3.063 1.00 7.76 H new ATOM 0 HE2 PHE A 89 36.803 8.480 -3.391 1.00 2.16 H new ATOM 0 HZ PHE A 89 37.033 6.237 -4.424 1.00 6.19 H new ATOM 1329 N ARG A 90 38.949 9.889 1.043 1.00 8.03 N ATOM 1330 CA ARG A 90 38.846 11.280 0.616 1.00 8.76 C ATOM 1331 C ARG A 90 40.231 11.903 0.476 1.00 7.43 C ATOM 1332 O ARG A 90 40.398 12.929 -0.184 1.00 6.92 O ATOM 1333 CB ARG A 90 38.026 12.078 1.632 1.00 8.74 C ATOM 1334 CG ARG A 90 37.754 13.480 1.082 1.00 13.55 C ATOM 1335 CD ARG A 90 37.064 14.324 2.155 1.00 14.45 C ATOM 1336 NE ARG A 90 36.982 15.716 1.727 1.00 17.08 N ATOM 1337 CZ ARG A 90 36.376 16.631 2.476 1.00 17.02 C ATOM 1338 NH1 ARG A 90 36.316 17.870 2.072 1.00 17.58 N ATOM 1339 NH2 ARG A 90 35.841 16.290 3.616 1.00 17.03 N ATOM 0 H ARG A 90 38.467 9.676 1.916 1.00 8.03 H new ATOM 0 HA ARG A 90 38.349 11.306 -0.354 1.00 8.76 H new ATOM 0 HB2 ARG A 90 37.085 11.567 1.837 1.00 8.74 H new ATOM 0 HB3 ARG A 90 38.565 12.145 2.577 1.00 8.74 H new ATOM 0 HG2 ARG A 90 38.689 13.951 0.779 1.00 13.55 H new ATOM 0 HG3 ARG A 90 37.126 13.418 0.193 1.00 13.55 H new ATOM 0 HD2 ARG A 90 36.064 13.935 2.346 1.00 14.45 H new ATOM 0 HD3 ARG A 90 37.617 14.256 3.092 1.00 14.45 H new ATOM 0 HE ARG A 90 37.397 15.992 0.837 1.00 17.08 H new ATOM 0 HH11 ARG A 90 36.734 18.137 1.181 1.00 17.58 H new ATOM 0 HH12 ARG A 90 35.851 18.572 2.647 1.00 17.58 H new ATOM 0 HH21 ARG A 90 35.888 15.321 3.932 1.00 17.03 H new ATOM 0 HH22 ARG A 90 35.376 16.992 4.191 1.00 17.03 H new ATOM 1353 N VAL A 91 41.222 11.276 1.101 1.00 7.00 N ATOM 1354 CA VAL A 91 42.590 11.778 1.040 1.00 6.43 C ATOM 1355 C VAL A 91 43.155 11.630 -0.369 1.00 6.80 C ATOM 1356 O VAL A 91 43.964 12.445 -0.812 1.00 5.87 O ATOM 1357 CB VAL A 91 43.472 11.011 2.027 1.00 6.46 C ATOM 1358 CG1 VAL A 91 44.936 11.126 1.599 1.00 7.40 C ATOM 1359 CG2 VAL A 91 43.303 11.605 3.427 1.00 7.82 C ATOM 0 H VAL A 91 41.105 10.425 1.652 1.00 7.00 H new ATOM 0 HA VAL A 91 42.580 12.835 1.306 1.00 6.43 H new ATOM 0 HB VAL A 91 43.178 9.961 2.038 1.00 6.46 H new ATOM 0 HG11 VAL A 91 45.565 10.580 2.302 1.00 7.40 H new ATOM 0 HG12 VAL A 91 45.057 10.705 0.601 1.00 7.40 H new ATOM 0 HG13 VAL A 91 45.231 12.175 1.589 1.00 7.40 H new ATOM 0 HG21 VAL A 91 43.931 11.060 4.132 1.00 7.82 H new ATOM 0 HG22 VAL A 91 43.598 12.654 3.415 1.00 7.82 H new ATOM 0 HG23 VAL A 91 42.260 11.525 3.733 1.00 7.82 H new ATOM 1369 N PHE A 92 42.724 10.586 -1.069 0.50 6.77 N ATOM 1370 CA PHE A 92 43.196 10.342 -2.428 0.50 7.12 C ATOM 1371 C PHE A 92 42.237 10.946 -3.448 0.50 7.91 C ATOM 1372 O PHE A 92 42.615 11.207 -4.590 0.50 9.11 O ATOM 1373 CB PHE A 92 43.323 8.837 -2.674 0.50 7.14 C ATOM 1374 CG PHE A 92 44.505 8.298 -1.905 0.50 4.87 C ATOM 1375 CD1 PHE A 92 45.677 7.941 -2.583 0.50 6.96 C ATOM 1376 CD2 PHE A 92 44.429 8.156 -0.515 0.50 4.32 C ATOM 1377 CE1 PHE A 92 46.773 7.441 -1.870 0.50 5.48 C ATOM 1378 CE2 PHE A 92 45.525 7.655 0.198 0.50 6.74 C ATOM 1379 CZ PHE A 92 46.697 7.298 -0.479 0.50 6.55 C ATOM 0 H PHE A 92 42.054 9.900 -0.722 0.50 6.77 H new ATOM 0 HA PHE A 92 44.172 10.814 -2.542 0.50 7.12 H new ATOM 0 HB2 PHE A 92 42.411 8.329 -2.362 0.50 7.14 H new ATOM 0 HB3 PHE A 92 43.449 8.641 -3.739 0.50 7.14 H new ATOM 0 HD1 PHE A 92 45.735 8.051 -3.656 0.50 6.96 H new ATOM 0 HD2 PHE A 92 43.525 8.433 0.008 0.50 4.32 H new ATOM 0 HE1 PHE A 92 47.677 7.166 -2.393 0.50 5.48 H new ATOM 0 HE2 PHE A 92 45.466 7.544 1.271 0.50 6.74 H new ATOM 0 HZ PHE A 92 47.542 6.912 0.071 0.50 6.55 H new ATOM 1389 N ASP A 93 40.994 11.165 -3.030 1.00 8.87 N ATOM 1390 CA ASP A 93 39.991 11.738 -3.921 1.00 8.42 C ATOM 1391 C ASP A 93 39.836 13.234 -3.666 1.00 8.51 C ATOM 1392 O ASP A 93 38.808 13.685 -3.164 1.00 8.68 O ATOM 1393 CB ASP A 93 38.646 11.040 -3.707 1.00 9.10 C ATOM 1394 CG ASP A 93 37.516 11.903 -4.261 1.00 10.79 C ATOM 1395 OD1 ASP A 93 37.536 12.179 -5.449 1.00 11.11 O ATOM 1396 OD2 ASP A 93 36.648 12.275 -3.489 1.00 7.32 O ATOM 0 H ASP A 93 40.659 10.957 -2.089 1.00 8.87 H new ATOM 0 HA ASP A 93 40.319 11.590 -4.950 1.00 8.42 H new ATOM 0 HB2 ASP A 93 38.648 10.068 -4.201 1.00 9.10 H new ATOM 0 HB3 ASP A 93 38.487 10.857 -2.644 1.00 9.10 H new ATOM 1401 N LYS A 94 40.869 13.996 -4.009 1.00 9.41 N ATOM 1402 CA LYS A 94 40.843 15.442 -3.808 1.00 9.18 C ATOM 1403 C LYS A 94 39.552 16.046 -4.357 1.00 9.05 C ATOM 1404 O LYS A 94 39.181 17.163 -3.998 1.00 7.14 O ATOM 1405 CB LYS A 94 42.047 16.085 -4.504 1.00 9.58 C ATOM 1406 CG LYS A 94 42.931 16.782 -3.466 1.00 10.67 C ATOM 1407 CD LYS A 94 42.185 17.984 -2.884 1.00 11.93 C ATOM 1408 CE LYS A 94 43.189 19.080 -2.520 1.00 14.25 C ATOM 1409 NZ LYS A 94 44.037 18.619 -1.384 1.00 14.57 N ATOM 0 H LYS A 94 41.730 13.640 -4.425 1.00 9.41 H new ATOM 0 HA LYS A 94 40.890 15.639 -2.737 1.00 9.18 H new ATOM 0 HB2 LYS A 94 42.622 15.325 -5.034 1.00 9.58 H new ATOM 0 HB3 LYS A 94 41.707 16.805 -5.249 1.00 9.58 H new ATOM 0 HG2 LYS A 94 43.195 16.085 -2.671 1.00 10.67 H new ATOM 0 HG3 LYS A 94 43.863 17.108 -3.927 1.00 10.67 H new ATOM 0 HD2 LYS A 94 41.463 18.363 -3.608 1.00 11.93 H new ATOM 0 HD3 LYS A 94 41.622 17.683 -2.000 1.00 11.93 H new ATOM 0 HE2 LYS A 94 43.814 19.317 -3.381 1.00 14.25 H new ATOM 0 HE3 LYS A 94 42.662 19.995 -2.247 1.00 14.25 H new ATOM 0 HZ1 LYS A 94 44.650 19.398 -1.070 1.00 14.57 H new ATOM 0 HZ2 LYS A 94 43.428 18.318 -0.596 1.00 14.57 H new ATOM 0 HZ3 LYS A 94 44.626 17.819 -1.692 1.00 14.57 H new ATOM 1423 N ASP A 95 38.873 15.306 -5.228 1.00 7.02 N ATOM 1424 CA ASP A 95 37.628 15.790 -5.816 1.00 7.13 C ATOM 1425 C ASP A 95 36.487 15.704 -4.807 1.00 6.43 C ATOM 1426 O ASP A 95 35.413 16.267 -5.020 1.00 4.43 O ATOM 1427 CB ASP A 95 37.280 14.962 -7.055 1.00 6.49 C ATOM 1428 CG ASP A 95 38.266 15.265 -8.178 1.00 8.86 C ATOM 1429 OD1 ASP A 95 39.127 14.435 -8.423 1.00 6.70 O ATOM 1430 OD2 ASP A 95 38.147 16.321 -8.776 1.00 10.20 O ATOM 0 H ASP A 95 39.160 14.378 -5.540 1.00 7.02 H new ATOM 0 HA ASP A 95 37.765 16.833 -6.102 1.00 7.13 H new ATOM 0 HB2 ASP A 95 37.308 13.900 -6.812 1.00 6.49 H new ATOM 0 HB3 ASP A 95 36.265 15.188 -7.380 1.00 6.49 H new ATOM 1435 N GLY A 96 36.729 14.997 -3.709 1.00 5.66 N ATOM 1436 CA GLY A 96 35.718 14.842 -2.670 1.00 5.97 C ATOM 1437 C GLY A 96 34.467 14.166 -3.220 1.00 6.08 C ATOM 1438 O GLY A 96 33.438 14.103 -2.547 1.00 6.24 O ATOM 0 H GLY A 96 37.612 14.524 -3.516 1.00 5.66 H new ATOM 0 HA2 GLY A 96 36.123 14.251 -1.849 1.00 5.97 H new ATOM 0 HA3 GLY A 96 35.458 15.819 -2.262 1.00 5.97 H new ATOM 1442 N ASN A 97 34.561 13.659 -4.445 1.00 6.39 N ATOM 1443 CA ASN A 97 33.427 12.987 -5.070 1.00 5.87 C ATOM 1444 C ASN A 97 33.257 11.583 -4.498 1.00 5.88 C ATOM 1445 O ASN A 97 32.153 11.038 -4.480 1.00 5.75 O ATOM 1446 CB ASN A 97 33.636 12.905 -6.584 1.00 5.90 C ATOM 1447 CG ASN A 97 35.016 12.334 -6.891 1.00 4.39 C ATOM 1448 OD1 ASN A 97 35.531 11.510 -6.135 1.00 7.56 O ATOM 1449 ND2 ASN A 97 35.649 12.724 -7.963 1.00 7.07 N ATOM 0 H ASN A 97 35.402 13.700 -5.020 1.00 6.39 H new ATOM 0 HA ASN A 97 32.526 13.563 -4.861 1.00 5.87 H new ATOM 0 HB2 ASN A 97 32.866 12.277 -7.032 1.00 5.90 H new ATOM 0 HB3 ASN A 97 33.537 13.896 -7.027 1.00 5.90 H new ATOM 0 HD21 ASN A 97 36.572 12.346 -8.176 1.00 7.07 H new ATOM 0 HD22 ASN A 97 35.221 13.407 -8.588 1.00 7.07 H new ATOM 1456 N GLY A 98 34.357 11.007 -4.025 1.00 6.14 N ATOM 1457 CA GLY A 98 34.319 9.668 -3.446 1.00 6.32 C ATOM 1458 C GLY A 98 34.624 8.603 -4.494 1.00 7.08 C ATOM 1459 O GLY A 98 34.137 7.476 -4.404 1.00 6.67 O ATOM 0 H GLY A 98 35.280 11.442 -4.030 1.00 6.14 H new ATOM 0 HA2 GLY A 98 35.043 9.600 -2.634 1.00 6.32 H new ATOM 0 HA3 GLY A 98 33.336 9.484 -3.013 1.00 6.32 H new ATOM 1463 N TYR A 99 35.435 8.961 -5.484 0.50 7.47 N ATOM 1464 CA TYR A 99 35.796 8.019 -6.537 0.50 7.60 C ATOM 1465 C TYR A 99 37.148 8.382 -7.145 0.50 7.45 C ATOM 1466 O TYR A 99 37.416 9.547 -7.436 0.50 7.71 O ATOM 1467 CB TYR A 99 34.722 8.014 -7.628 0.50 7.79 C ATOM 1468 CG TYR A 99 35.040 9.066 -8.664 0.50 7.27 C ATOM 1469 CD1 TYR A 99 34.291 10.248 -8.714 0.50 9.00 C ATOM 1470 CD2 TYR A 99 36.084 8.860 -9.574 0.50 6.58 C ATOM 1471 CE1 TYR A 99 34.586 11.223 -9.674 0.50 5.79 C ATOM 1472 CE2 TYR A 99 36.379 9.836 -10.534 0.50 6.90 C ATOM 1473 CZ TYR A 99 35.630 11.017 -10.584 0.50 6.97 C ATOM 1474 OH TYR A 99 35.920 11.979 -11.530 0.50 5.02 O ATOM 0 H TYR A 99 35.851 9.887 -5.579 0.50 7.47 H new ATOM 0 HA TYR A 99 35.867 7.024 -6.098 0.50 7.60 H new ATOM 0 HB2 TYR A 99 34.672 7.032 -8.097 0.50 7.79 H new ATOM 0 HB3 TYR A 99 33.743 8.207 -7.189 0.50 7.79 H new ATOM 0 HD1 TYR A 99 33.486 10.407 -8.012 0.50 9.00 H new ATOM 0 HD2 TYR A 99 36.662 7.948 -9.536 0.50 6.58 H new ATOM 0 HE1 TYR A 99 34.008 12.135 -9.713 0.50 5.79 H new ATOM 0 HE2 TYR A 99 37.184 9.677 -11.236 0.50 6.90 H new ATOM 0 HH TYR A 99 36.673 11.679 -12.081 0.50 5.02 H new ATOM 1484 N ILE A 100 37.993 7.374 -7.336 1.00 6.94 N ATOM 1485 CA ILE A 100 39.314 7.594 -7.913 1.00 6.30 C ATOM 1486 C ILE A 100 39.488 6.760 -9.177 1.00 6.51 C ATOM 1487 O ILE A 100 39.396 5.533 -9.139 1.00 6.57 O ATOM 1488 CB ILE A 100 40.397 7.221 -6.899 1.00 5.54 C ATOM 1489 CG1 ILE A 100 39.811 7.279 -5.485 1.00 9.03 C ATOM 1490 CG2 ILE A 100 41.561 8.207 -7.008 1.00 4.76 C ATOM 1491 CD1 ILE A 100 40.869 6.830 -4.475 1.00 9.29 C ATOM 0 H ILE A 100 37.788 6.403 -7.101 1.00 6.94 H new ATOM 0 HA ILE A 100 39.408 8.649 -8.170 1.00 6.30 H new ATOM 0 HB ILE A 100 40.756 6.212 -7.105 1.00 5.54 H new ATOM 0 HG12 ILE A 100 39.483 8.293 -5.257 1.00 9.03 H new ATOM 0 HG13 ILE A 100 38.933 6.637 -5.417 1.00 9.03 H new ATOM 0 HG21 ILE A 100 42.332 7.941 -6.285 1.00 4.76 H new ATOM 0 HG22 ILE A 100 41.978 8.168 -8.014 1.00 4.76 H new ATOM 0 HG23 ILE A 100 41.204 9.216 -6.802 1.00 4.76 H new ATOM 0 HD11 ILE A 100 40.452 6.871 -3.469 1.00 9.29 H new ATOM 0 HD12 ILE A 100 41.176 5.808 -4.699 1.00 9.29 H new ATOM 0 HD13 ILE A 100 41.734 7.490 -4.537 1.00 9.29 H new ATOM 1503 N SER A 101 39.734 7.432 -10.297 1.00 6.74 N ATOM 1504 CA SER A 101 39.914 6.739 -11.567 1.00 4.65 C ATOM 1505 C SER A 101 41.359 6.282 -11.733 1.00 3.97 C ATOM 1506 O SER A 101 42.282 6.896 -11.197 1.00 7.02 O ATOM 1507 CB SER A 101 39.533 7.663 -12.724 1.00 3.29 C ATOM 1508 OG SER A 101 38.117 7.712 -12.839 1.00 2.08 O ATOM 0 H SER A 101 39.813 8.448 -10.351 1.00 6.74 H new ATOM 0 HA SER A 101 39.267 5.862 -11.573 1.00 4.65 H new ATOM 0 HB2 SER A 101 39.930 8.663 -12.552 1.00 3.29 H new ATOM 0 HB3 SER A 101 39.973 7.301 -13.653 1.00 3.29 H new ATOM 0 HG SER A 101 37.869 8.305 -13.579 1.00 2.08 H new ATOM 1514 N ALA A 102 41.547 5.198 -12.478 1.00 4.02 N ATOM 1515 CA ALA A 102 42.883 4.662 -12.711 1.00 4.82 C ATOM 1516 C ALA A 102 43.869 5.788 -13.003 1.00 5.07 C ATOM 1517 O ALA A 102 45.039 5.714 -12.628 1.00 6.41 O ATOM 1518 CB ALA A 102 42.857 3.686 -13.888 1.00 4.55 C ATOM 0 H ALA A 102 40.796 4.676 -12.929 1.00 4.02 H new ATOM 0 HA ALA A 102 43.205 4.137 -11.812 1.00 4.82 H new ATOM 0 HB1 ALA A 102 43.859 3.291 -14.055 1.00 4.55 H new ATOM 0 HB2 ALA A 102 42.175 2.865 -13.665 1.00 4.55 H new ATOM 0 HB3 ALA A 102 42.518 4.206 -14.784 1.00 4.55 H new ATOM 1524 N ALA A 103 43.390 6.830 -13.675 1.00 4.46 N ATOM 1525 CA ALA A 103 44.240 7.966 -14.011 1.00 3.90 C ATOM 1526 C ALA A 103 44.739 8.655 -12.745 1.00 3.42 C ATOM 1527 O ALA A 103 45.943 8.742 -12.508 1.00 5.01 O ATOM 1528 CB ALA A 103 43.460 8.967 -14.866 1.00 4.16 C ATOM 0 H ALA A 103 42.425 6.911 -13.995 1.00 4.46 H new ATOM 0 HA ALA A 103 45.099 7.600 -14.574 1.00 3.90 H new ATOM 0 HB1 ALA A 103 44.102 9.813 -15.113 1.00 4.16 H new ATOM 0 HB2 ALA A 103 43.130 8.482 -15.785 1.00 4.16 H new ATOM 0 HB3 ALA A 103 42.591 9.321 -14.311 1.00 4.16 H new ATOM 1534 N GLU A 104 43.804 9.143 -11.935 1.00 2.38 N ATOM 1535 CA GLU A 104 44.162 9.822 -10.695 1.00 2.94 C ATOM 1536 C GLU A 104 44.997 8.907 -9.805 1.00 3.92 C ATOM 1537 O GLU A 104 46.017 9.323 -9.255 1.00 4.76 O ATOM 1538 CB GLU A 104 42.895 10.247 -9.948 1.00 4.89 C ATOM 1539 CG GLU A 104 42.125 11.268 -10.788 1.00 2.54 C ATOM 1540 CD GLU A 104 40.735 11.484 -10.199 1.00 5.28 C ATOM 1541 OE1 GLU A 104 39.931 10.570 -10.280 1.00 6.84 O ATOM 1542 OE2 GLU A 104 40.495 12.560 -9.677 1.00 5.84 O ATOM 0 H GLU A 104 42.802 9.082 -12.113 1.00 2.38 H new ATOM 0 HA GLU A 104 44.751 10.705 -10.943 1.00 2.94 H new ATOM 0 HB2 GLU A 104 42.269 9.377 -9.749 1.00 4.89 H new ATOM 0 HB3 GLU A 104 43.157 10.679 -8.982 1.00 4.89 H new ATOM 0 HG2 GLU A 104 42.668 12.213 -10.816 1.00 2.54 H new ATOM 0 HG3 GLU A 104 42.043 10.917 -11.817 1.00 2.54 H new ATOM 1549 N LEU A 105 44.557 7.661 -9.669 1.00 4.80 N ATOM 1550 CA LEU A 105 45.273 6.695 -8.843 1.00 3.86 C ATOM 1551 C LEU A 105 46.763 6.715 -9.166 1.00 4.38 C ATOM 1552 O LEU A 105 47.601 6.829 -8.271 1.00 3.99 O ATOM 1553 CB LEU A 105 44.715 5.290 -9.080 1.00 3.53 C ATOM 1554 CG LEU A 105 44.782 4.488 -7.780 1.00 4.12 C ATOM 1555 CD1 LEU A 105 46.211 4.517 -7.234 1.00 4.73 C ATOM 1556 CD2 LEU A 105 43.832 5.106 -6.751 1.00 4.99 C ATOM 0 H LEU A 105 43.715 7.298 -10.116 1.00 4.80 H new ATOM 0 HA LEU A 105 45.136 6.967 -7.796 1.00 3.86 H new ATOM 0 HB2 LEU A 105 43.684 5.351 -9.429 1.00 3.53 H new ATOM 0 HB3 LEU A 105 45.287 4.787 -9.860 1.00 3.53 H new ATOM 0 HG LEU A 105 44.488 3.456 -7.975 1.00 4.12 H new ATOM 0 HD11 LEU A 105 46.258 3.945 -6.307 1.00 4.73 H new ATOM 0 HD12 LEU A 105 46.889 4.078 -7.966 1.00 4.73 H new ATOM 0 HD13 LEU A 105 46.505 5.548 -7.039 1.00 4.73 H new ATOM 0 HD21 LEU A 105 43.879 4.535 -5.824 1.00 4.99 H new ATOM 0 HD22 LEU A 105 44.126 6.137 -6.557 1.00 4.99 H new ATOM 0 HD23 LEU A 105 42.813 5.086 -7.138 1.00 4.99 H new ATOM 1568 N ARG A 106 47.087 6.602 -10.450 1.00 3.11 N ATOM 1569 CA ARG A 106 48.481 6.609 -10.880 1.00 5.25 C ATOM 1570 C ARG A 106 49.123 7.962 -10.593 1.00 4.62 C ATOM 1571 O ARG A 106 50.342 8.066 -10.461 1.00 4.29 O ATOM 1572 CB ARG A 106 48.567 6.307 -12.377 1.00 5.02 C ATOM 1573 CG ARG A 106 48.496 4.795 -12.599 1.00 5.93 C ATOM 1574 CD ARG A 106 48.240 4.508 -14.079 1.00 8.89 C ATOM 1575 NE ARG A 106 49.078 5.363 -14.912 1.00 11.71 N ATOM 1576 CZ ARG A 106 50.389 5.164 -15.001 1.00 13.93 C ATOM 1577 NH1 ARG A 106 51.117 5.943 -15.753 1.00 15.02 N ATOM 1578 NH2 ARG A 106 50.947 4.189 -14.337 1.00 15.24 N ATOM 0 H ARG A 106 46.409 6.505 -11.206 1.00 3.11 H new ATOM 0 HA ARG A 106 49.018 5.840 -10.324 1.00 5.25 H new ATOM 0 HB2 ARG A 106 47.752 6.801 -12.906 1.00 5.02 H new ATOM 0 HB3 ARG A 106 49.497 6.702 -12.785 1.00 5.02 H new ATOM 0 HG2 ARG A 106 49.428 4.326 -12.283 1.00 5.93 H new ATOM 0 HG3 ARG A 106 47.700 4.364 -11.991 1.00 5.93 H new ATOM 0 HD2 ARG A 106 48.449 3.460 -14.295 1.00 8.89 H new ATOM 0 HD3 ARG A 106 47.189 4.678 -14.313 1.00 8.89 H new ATOM 0 HE ARG A 106 48.650 6.127 -15.435 1.00 11.71 H new ATOM 0 HH11 ARG A 106 50.680 6.704 -16.272 1.00 15.02 H new ATOM 0 HH12 ARG A 106 52.123 5.791 -15.822 1.00 15.02 H new ATOM 0 HH21 ARG A 106 50.377 3.580 -13.750 1.00 15.24 H new ATOM 0 HH22 ARG A 106 51.953 4.036 -14.405 1.00 15.24 H new ATOM 1592 N HIS A 107 48.294 8.996 -10.498 1.00 5.92 N ATOM 1593 CA HIS A 107 48.792 10.340 -10.227 1.00 8.12 C ATOM 1594 C HIS A 107 49.324 10.435 -8.800 1.00 8.85 C ATOM 1595 O HIS A 107 50.338 11.085 -8.547 1.00 9.30 O ATOM 1596 CB HIS A 107 47.672 11.362 -10.426 1.00 10.37 C ATOM 1597 CG HIS A 107 48.270 12.719 -10.678 1.00 10.94 C ATOM 1598 ND1 HIS A 107 49.203 13.453 -9.988 1.00 14.82 N flip ATOM 1599 CD2 HIS A 107 47.910 13.494 -11.769 1.00 14.65 C flip ATOM 1600 CE1 HIS A 107 49.421 14.663 -10.639 1.00 15.69 C flip ATOM 1601 NE2 HIS A 107 48.617 14.637 -11.705 1.00 15.65 N flip ATOM 0 H HIS A 107 47.282 8.931 -10.604 1.00 5.92 H new ATOM 0 HA HIS A 107 49.605 10.554 -10.921 1.00 8.12 H new ATOM 0 HB2 HIS A 107 47.043 11.069 -11.266 1.00 10.37 H new ATOM 0 HB3 HIS A 107 47.032 11.393 -9.544 1.00 10.37 H new ATOM 0 HD1 HIS A 107 49.666 13.156 -9.129 1.00 14.82 H new ATOM 0 HD2 HIS A 107 47.193 13.229 -12.532 1.00 14.65 H new ATOM 0 HE1 HIS A 107 50.096 15.454 -10.345 1.00 15.69 H new ATOM 1610 N VAL A 108 48.632 9.782 -7.872 1.00 9.44 N ATOM 1611 CA VAL A 108 49.044 9.800 -6.473 1.00 9.72 C ATOM 1612 C VAL A 108 50.190 8.820 -6.239 1.00 9.70 C ATOM 1613 O VAL A 108 51.216 9.177 -5.659 1.00 10.80 O ATOM 1614 CB VAL A 108 47.862 9.428 -5.576 1.00 9.77 C ATOM 1615 CG1 VAL A 108 48.382 8.904 -4.236 1.00 8.84 C ATOM 1616 CG2 VAL A 108 46.996 10.667 -5.335 1.00 12.28 C ATOM 0 H VAL A 108 47.790 9.238 -8.061 1.00 9.44 H new ATOM 0 HA VAL A 108 49.385 10.806 -6.227 1.00 9.72 H new ATOM 0 HB VAL A 108 47.267 8.655 -6.062 1.00 9.77 H new ATOM 0 HG11 VAL A 108 47.539 8.639 -3.597 1.00 8.84 H new ATOM 0 HG12 VAL A 108 49.000 8.022 -4.405 1.00 8.84 H new ATOM 0 HG13 VAL A 108 48.977 9.677 -3.749 1.00 8.84 H new ATOM 0 HG21 VAL A 108 46.153 10.403 -4.696 1.00 12.28 H new ATOM 0 HG22 VAL A 108 47.593 11.439 -4.849 1.00 12.28 H new ATOM 0 HG23 VAL A 108 46.625 11.042 -6.289 1.00 12.28 H new ATOM 1626 N MET A 109 50.007 7.584 -6.692 0.50 9.38 N ATOM 1627 CA MET A 109 51.032 6.560 -6.525 0.50 9.31 C ATOM 1628 C MET A 109 52.288 6.925 -7.311 0.50 9.50 C ATOM 1629 O MET A 109 53.370 6.398 -7.049 0.50 9.53 O ATOM 1630 CB MET A 109 50.503 5.208 -7.006 0.50 8.72 C ATOM 1631 CG MET A 109 49.538 4.638 -5.965 0.50 8.81 C ATOM 1632 SD MET A 109 48.968 3.005 -6.501 0.50 6.87 S ATOM 1633 CE MET A 109 48.306 2.462 -4.907 0.50 6.63 C ATOM 0 H MET A 109 49.165 7.269 -7.174 0.50 9.38 H new ATOM 0 HA MET A 109 51.285 6.496 -5.467 0.50 9.31 H new ATOM 0 HB2 MET A 109 49.995 5.324 -7.963 0.50 8.72 H new ATOM 0 HB3 MET A 109 51.331 4.518 -7.166 0.50 8.72 H new ATOM 0 HG2 MET A 109 50.033 4.562 -4.997 0.50 8.81 H new ATOM 0 HG3 MET A 109 48.688 5.308 -5.836 0.50 8.81 H new ATOM 0 HE1 MET A 109 47.800 1.504 -5.030 0.50 6.63 H new ATOM 0 HE2 MET A 109 49.122 2.352 -4.193 0.50 6.63 H new ATOM 0 HE3 MET A 109 47.597 3.202 -4.537 0.50 6.63 H new ATOM 1643 N THR A 110 52.138 7.828 -8.274 1.00 10.17 N ATOM 1644 CA THR A 110 53.268 8.253 -9.091 1.00 11.15 C ATOM 1645 C THR A 110 54.183 9.183 -8.300 1.00 11.87 C ATOM 1646 O THR A 110 55.403 9.026 -8.313 1.00 11.30 O ATOM 1647 CB THR A 110 52.766 8.973 -10.345 1.00 11.33 C ATOM 1648 OG1 THR A 110 52.395 8.012 -11.324 1.00 9.45 O ATOM 1649 CG2 THR A 110 53.874 9.869 -10.900 1.00 11.67 C ATOM 0 H THR A 110 51.252 8.277 -8.507 1.00 10.17 H new ATOM 0 HA THR A 110 53.833 7.368 -9.383 1.00 11.15 H new ATOM 0 HB THR A 110 51.901 9.586 -10.091 1.00 11.33 H new ATOM 0 HG1 THR A 110 51.434 7.833 -11.259 1.00 9.45 H new ATOM 0 HG21 THR A 110 53.515 10.381 -11.793 1.00 11.67 H new ATOM 0 HG22 THR A 110 54.157 10.606 -10.148 1.00 11.67 H new ATOM 0 HG23 THR A 110 54.741 9.260 -11.155 1.00 11.67 H new ATOM 1657 N ASN A 111 53.585 10.150 -7.612 1.00 13.42 N ATOM 1658 CA ASN A 111 54.357 11.098 -6.819 1.00 14.75 C ATOM 1659 C ASN A 111 54.815 10.455 -5.513 1.00 15.38 C ATOM 1660 O ASN A 111 55.628 11.022 -4.783 1.00 14.61 O ATOM 1661 CB ASN A 111 53.511 12.335 -6.511 1.00 15.43 C ATOM 1662 CG ASN A 111 54.416 13.522 -6.201 1.00 16.39 C ATOM 1663 OD1 ASN A 111 54.877 13.673 -5.069 1.00 19.90 O ATOM 1664 ND2 ASN A 111 54.700 14.378 -7.144 1.00 21.65 N ATOM 0 H ASN A 111 52.576 10.297 -7.588 1.00 13.42 H new ATOM 0 HA ASN A 111 55.235 11.393 -7.394 1.00 14.75 H new ATOM 0 HB2 ASN A 111 52.870 12.568 -7.361 1.00 15.43 H new ATOM 0 HB3 ASN A 111 52.856 12.136 -5.663 1.00 15.43 H new ATOM 0 HD21 ASN A 111 55.305 15.174 -6.944 1.00 21.65 H new ATOM 0 HD22 ASN A 111 54.317 14.251 -8.081 1.00 21.65 H new ATOM 1671 N LEU A 112 54.288 9.270 -5.227 1.00 15.51 N ATOM 1672 CA LEU A 112 54.650 8.558 -4.007 1.00 17.09 C ATOM 1673 C LEU A 112 56.159 8.343 -3.942 1.00 17.64 C ATOM 1674 O LEU A 112 56.731 8.211 -2.860 1.00 19.20 O ATOM 1675 CB LEU A 112 53.934 7.205 -3.959 1.00 17.55 C ATOM 1676 CG LEU A 112 53.084 7.116 -2.690 1.00 18.70 C ATOM 1677 CD1 LEU A 112 53.992 7.174 -1.461 1.00 19.41 C ATOM 1678 CD2 LEU A 112 52.102 8.289 -2.653 1.00 19.55 C ATOM 0 H LEU A 112 53.613 8.785 -5.818 1.00 15.51 H new ATOM 0 HA LEU A 112 54.343 9.159 -3.151 1.00 17.09 H new ATOM 0 HB2 LEU A 112 53.303 7.085 -4.840 1.00 17.55 H new ATOM 0 HB3 LEU A 112 54.664 6.396 -3.977 1.00 17.55 H new ATOM 0 HG LEU A 112 52.531 6.177 -2.688 1.00 18.70 H new ATOM 0 HD11 LEU A 112 53.386 7.111 -0.557 1.00 19.41 H new ATOM 0 HD12 LEU A 112 54.693 6.340 -1.487 1.00 19.41 H new ATOM 0 HD13 LEU A 112 54.545 8.113 -1.461 1.00 19.41 H new ATOM 0 HD21 LEU A 112 51.495 8.227 -1.749 1.00 19.55 H new ATOM 0 HD22 LEU A 112 52.656 9.228 -2.655 1.00 19.55 H new ATOM 0 HD23 LEU A 112 51.454 8.249 -3.529 1.00 19.55 H new ATOM 1690 N GLY A 113 56.797 8.305 -5.107 1.00 18.31 N ATOM 1691 CA GLY A 113 58.239 8.102 -5.171 1.00 18.73 C ATOM 1692 C GLY A 113 58.572 6.784 -5.863 1.00 19.38 C ATOM 1693 O GLY A 113 59.741 6.455 -6.064 1.00 19.66 O ATOM 0 H GLY A 113 56.342 8.411 -6.014 1.00 18.31 H new ATOM 0 HA2 GLY A 113 58.703 8.928 -5.710 1.00 18.73 H new ATOM 0 HA3 GLY A 113 58.656 8.104 -4.164 1.00 18.73 H new ATOM 1697 N GLU A 114 57.535 6.036 -6.226 1.00 20.03 N ATOM 1698 CA GLU A 114 57.727 4.755 -6.897 1.00 20.93 C ATOM 1699 C GLU A 114 56.976 4.732 -8.224 1.00 21.67 C ATOM 1700 O GLU A 114 55.768 4.968 -8.268 1.00 21.82 O ATOM 1701 CB GLU A 114 57.229 3.617 -6.005 1.00 21.58 C ATOM 1702 CG GLU A 114 58.345 3.191 -5.049 1.00 22.38 C ATOM 1703 CD GLU A 114 57.947 1.912 -4.320 1.00 22.95 C ATOM 1704 OE1 GLU A 114 57.434 1.017 -4.972 1.00 21.15 O ATOM 1705 OE2 GLU A 114 58.161 1.846 -3.121 1.00 25.55 O ATOM 0 H GLU A 114 56.560 6.292 -6.068 1.00 20.03 H new ATOM 0 HA GLU A 114 58.791 4.622 -7.091 1.00 20.93 H new ATOM 0 HB2 GLU A 114 56.355 3.940 -5.439 1.00 21.58 H new ATOM 0 HB3 GLU A 114 56.918 2.771 -6.617 1.00 21.58 H new ATOM 0 HG2 GLU A 114 59.269 3.030 -5.604 1.00 22.38 H new ATOM 0 HG3 GLU A 114 58.540 3.985 -4.328 1.00 22.38 H new ATOM 1712 N LYS A 115 57.697 4.448 -9.304 1.00 21.94 N ATOM 1713 CA LYS A 115 57.085 4.398 -10.627 1.00 21.97 C ATOM 1714 C LYS A 115 56.348 3.078 -10.830 1.00 21.51 C ATOM 1715 O LYS A 115 56.956 2.008 -10.813 1.00 21.04 O ATOM 1716 CB LYS A 115 58.160 4.555 -11.705 1.00 22.09 C ATOM 1717 CG LYS A 115 59.020 5.782 -11.394 1.00 22.07 C ATOM 1718 CD LYS A 115 58.691 6.901 -12.385 1.00 22.17 C ATOM 1719 CE LYS A 115 59.387 6.624 -13.719 1.00 22.19 C ATOM 1720 NZ LYS A 115 60.850 6.459 -13.490 1.00 23.26 N ATOM 0 H LYS A 115 58.698 4.250 -9.290 1.00 21.94 H new ATOM 0 HA LYS A 115 56.368 5.215 -10.705 1.00 21.97 H new ATOM 0 HB2 LYS A 115 58.783 3.662 -11.745 1.00 22.09 H new ATOM 0 HB3 LYS A 115 57.695 4.663 -12.685 1.00 22.09 H new ATOM 0 HG2 LYS A 115 58.836 6.119 -10.374 1.00 22.07 H new ATOM 0 HG3 LYS A 115 60.077 5.524 -11.458 1.00 22.07 H new ATOM 0 HD2 LYS A 115 57.613 6.965 -12.532 1.00 22.17 H new ATOM 0 HD3 LYS A 115 59.016 7.862 -11.986 1.00 22.17 H new ATOM 0 HE2 LYS A 115 58.976 5.724 -14.176 1.00 22.19 H new ATOM 0 HE3 LYS A 115 59.207 7.445 -14.413 1.00 22.19 H new ATOM 0 HZ1 LYS A 115 61.369 6.740 -14.346 1.00 23.26 H new ATOM 0 HZ2 LYS A 115 61.146 7.058 -12.693 1.00 23.26 H new ATOM 0 HZ3 LYS A 115 61.057 5.464 -13.271 1.00 23.26 H new ATOM 1734 N LEU A 116 55.036 3.163 -11.022 1.00 20.82 N ATOM 1735 CA LEU A 116 54.225 1.969 -11.228 1.00 20.59 C ATOM 1736 C LEU A 116 53.701 1.919 -12.660 1.00 20.06 C ATOM 1737 O LEU A 116 53.221 2.920 -13.191 1.00 20.89 O ATOM 1738 CB LEU A 116 53.048 1.962 -10.251 1.00 21.31 C ATOM 1739 CG LEU A 116 53.489 1.340 -8.925 1.00 21.00 C ATOM 1740 CD1 LEU A 116 52.766 2.035 -7.769 1.00 23.07 C ATOM 1741 CD2 LEU A 116 53.139 -0.150 -8.921 1.00 20.55 C ATOM 0 H LEU A 116 54.515 4.040 -11.039 1.00 20.82 H new ATOM 0 HA LEU A 116 54.849 1.093 -11.050 1.00 20.59 H new ATOM 0 HB2 LEU A 116 52.692 2.979 -10.087 1.00 21.31 H new ATOM 0 HB3 LEU A 116 52.216 1.397 -10.671 1.00 21.31 H new ATOM 0 HG LEU A 116 54.566 1.463 -8.806 1.00 21.00 H new ATOM 0 HD11 LEU A 116 53.080 1.592 -6.824 1.00 23.07 H new ATOM 0 HD12 LEU A 116 53.013 3.097 -7.771 1.00 23.07 H new ATOM 0 HD13 LEU A 116 51.689 1.912 -7.887 1.00 23.07 H new ATOM 0 HD21 LEU A 116 53.453 -0.595 -7.977 1.00 20.55 H new ATOM 0 HD22 LEU A 116 52.062 -0.271 -9.039 1.00 20.55 H new ATOM 0 HD23 LEU A 116 53.653 -0.647 -9.744 1.00 20.55 H new ATOM 1753 N THR A 117 53.797 0.747 -13.279 1.00 19.20 N ATOM 1754 CA THR A 117 53.329 0.579 -14.651 1.00 18.69 C ATOM 1755 C THR A 117 51.808 0.662 -14.712 1.00 18.35 C ATOM 1756 O THR A 117 51.122 0.412 -13.720 1.00 17.96 O ATOM 1757 CB THR A 117 53.790 -0.774 -15.198 1.00 18.94 C ATOM 1758 OG1 THR A 117 55.118 -1.032 -14.761 1.00 18.27 O ATOM 1759 CG2 THR A 117 53.750 -0.749 -16.727 1.00 19.41 C ATOM 0 H THR A 117 54.191 -0.094 -12.857 1.00 19.20 H new ATOM 0 HA THR A 117 53.750 1.380 -15.259 1.00 18.69 H new ATOM 0 HB THR A 117 53.128 -1.559 -14.833 1.00 18.94 H new ATOM 0 HG1 THR A 117 55.414 -1.899 -15.109 1.00 18.27 H new ATOM 0 HG21 THR A 117 54.079 -1.713 -17.115 1.00 19.41 H new ATOM 0 HG22 THR A 117 52.732 -0.551 -17.061 1.00 19.41 H new ATOM 0 HG23 THR A 117 54.411 0.035 -17.096 1.00 19.41 H new ATOM 1767 N ASP A 118 51.286 1.016 -15.882 1.00 17.78 N ATOM 1768 CA ASP A 118 49.843 1.129 -16.061 1.00 17.28 C ATOM 1769 C ASP A 118 49.181 -0.241 -15.959 1.00 16.94 C ATOM 1770 O ASP A 118 48.290 -0.451 -15.136 1.00 16.90 O ATOM 1771 CB ASP A 118 49.532 1.748 -17.425 1.00 17.45 C ATOM 1772 CG ASP A 118 50.546 2.842 -17.744 1.00 17.24 C ATOM 1773 OD1 ASP A 118 50.127 3.970 -17.945 1.00 16.95 O ATOM 1774 OD2 ASP A 118 51.726 2.536 -17.783 1.00 18.08 O ATOM 0 H ASP A 118 51.836 1.228 -16.715 1.00 17.78 H new ATOM 0 HA ASP A 118 49.448 1.770 -15.273 1.00 17.28 H new ATOM 0 HB2 ASP A 118 49.559 0.979 -18.197 1.00 17.45 H new ATOM 0 HB3 ASP A 118 48.524 2.164 -17.424 1.00 17.45 H new ATOM 1779 N GLU A 119 49.624 -1.170 -16.800 1.00 16.47 N ATOM 1780 CA GLU A 119 49.067 -2.518 -16.795 1.00 16.08 C ATOM 1781 C GLU A 119 49.090 -3.101 -15.386 1.00 15.00 C ATOM 1782 O GLU A 119 48.355 -4.040 -15.080 1.00 14.51 O ATOM 1783 CB GLU A 119 49.870 -3.418 -17.736 1.00 16.34 C ATOM 1784 CG GLU A 119 50.290 -2.621 -18.972 1.00 17.65 C ATOM 1785 CD GLU A 119 50.770 -3.569 -20.066 1.00 18.58 C ATOM 1786 OE1 GLU A 119 51.845 -4.125 -19.911 1.00 18.43 O ATOM 1787 OE2 GLU A 119 50.055 -3.726 -21.042 1.00 20.16 O ATOM 0 H GLU A 119 50.361 -1.016 -17.488 1.00 16.47 H new ATOM 0 HA GLU A 119 48.033 -2.466 -17.137 1.00 16.08 H new ATOM 0 HB2 GLU A 119 50.751 -3.804 -17.223 1.00 16.34 H new ATOM 0 HB3 GLU A 119 49.271 -4.279 -18.032 1.00 16.34 H new ATOM 0 HG2 GLU A 119 49.450 -2.029 -19.335 1.00 17.65 H new ATOM 0 HG3 GLU A 119 51.084 -1.922 -18.711 1.00 17.65 H new ATOM 1794 N GLU A 120 49.938 -2.538 -14.532 1.00 14.19 N ATOM 1795 CA GLU A 120 50.049 -3.010 -13.157 1.00 13.46 C ATOM 1796 C GLU A 120 48.996 -2.346 -12.276 1.00 13.34 C ATOM 1797 O GLU A 120 48.414 -2.984 -11.399 1.00 13.03 O ATOM 1798 CB GLU A 120 51.444 -2.701 -12.610 1.00 13.02 C ATOM 1799 CG GLU A 120 51.724 -3.588 -11.395 1.00 11.76 C ATOM 1800 CD GLU A 120 50.781 -3.223 -10.254 1.00 11.68 C ATOM 1801 OE1 GLU A 120 50.787 -2.071 -9.852 1.00 7.04 O ATOM 1802 OE2 GLU A 120 50.065 -4.100 -9.800 1.00 10.77 O ATOM 0 H GLU A 120 50.554 -1.760 -14.765 1.00 14.19 H new ATOM 0 HA GLU A 120 49.886 -4.088 -13.148 1.00 13.46 H new ATOM 0 HB2 GLU A 120 52.195 -2.874 -13.381 1.00 13.02 H new ATOM 0 HB3 GLU A 120 51.512 -1.650 -12.330 1.00 13.02 H new ATOM 0 HG2 GLU A 120 51.595 -4.637 -11.663 1.00 11.76 H new ATOM 0 HG3 GLU A 120 52.759 -3.465 -11.076 1.00 11.76 H new ATOM 1809 N VAL A 121 48.756 -1.061 -12.515 1.00 13.10 N ATOM 1810 CA VAL A 121 47.771 -0.320 -11.736 1.00 12.97 C ATOM 1811 C VAL A 121 46.364 -0.575 -12.269 1.00 12.84 C ATOM 1812 O VAL A 121 45.409 -0.685 -11.500 1.00 13.10 O ATOM 1813 CB VAL A 121 48.077 1.177 -11.795 1.00 13.08 C ATOM 1814 CG1 VAL A 121 46.887 1.965 -11.243 1.00 12.21 C ATOM 1815 CG2 VAL A 121 49.319 1.475 -10.952 1.00 14.97 C ATOM 0 H VAL A 121 49.226 -0.514 -13.236 1.00 13.10 H new ATOM 0 HA VAL A 121 47.823 -0.661 -10.702 1.00 12.97 H new ATOM 0 HB VAL A 121 48.258 1.470 -12.829 1.00 13.08 H new ATOM 0 HG11 VAL A 121 47.106 3.032 -11.285 1.00 12.21 H new ATOM 0 HG12 VAL A 121 46.001 1.752 -11.841 1.00 12.21 H new ATOM 0 HG13 VAL A 121 46.705 1.673 -10.209 1.00 12.21 H new ATOM 0 HG21 VAL A 121 49.539 2.542 -10.993 1.00 14.97 H new ATOM 0 HG22 VAL A 121 49.136 1.181 -9.918 1.00 14.97 H new ATOM 0 HG23 VAL A 121 50.168 0.914 -11.344 1.00 14.97 H new ATOM 1825 N ASP A 122 46.245 -0.667 -13.590 1.00 13.33 N ATOM 1826 CA ASP A 122 44.949 -0.910 -14.214 1.00 13.39 C ATOM 1827 C ASP A 122 44.462 -2.322 -13.907 1.00 12.24 C ATOM 1828 O ASP A 122 43.366 -2.510 -13.379 1.00 11.31 O ATOM 1829 CB ASP A 122 45.056 -0.723 -15.729 1.00 14.42 C ATOM 1830 CG ASP A 122 43.664 -0.671 -16.347 1.00 16.19 C ATOM 1831 OD1 ASP A 122 43.004 0.343 -16.190 1.00 20.12 O ATOM 1832 OD2 ASP A 122 43.276 -1.647 -16.969 1.00 19.51 O ATOM 0 H ASP A 122 47.023 -0.578 -14.244 1.00 13.33 H new ATOM 0 HA ASP A 122 44.232 -0.195 -13.809 1.00 13.39 H new ATOM 0 HB2 ASP A 122 45.597 0.196 -15.953 1.00 14.42 H new ATOM 0 HB3 ASP A 122 45.626 -1.543 -16.166 1.00 14.42 H new ATOM 1837 N GLU A 123 45.283 -3.312 -14.241 1.00 11.13 N ATOM 1838 CA GLU A 123 44.925 -4.704 -13.996 1.00 10.29 C ATOM 1839 C GLU A 123 44.596 -4.922 -12.523 1.00 8.90 C ATOM 1840 O GLU A 123 43.761 -5.759 -12.180 1.00 7.96 O ATOM 1841 CB GLU A 123 46.080 -5.621 -14.403 1.00 10.26 C ATOM 1842 CG GLU A 123 46.334 -5.487 -15.906 1.00 12.28 C ATOM 1843 CD GLU A 123 45.420 -6.436 -16.675 1.00 13.69 C ATOM 1844 OE1 GLU A 123 44.380 -6.786 -16.143 1.00 14.38 O ATOM 1845 OE2 GLU A 123 45.775 -6.798 -17.785 1.00 15.72 O ATOM 0 H GLU A 123 46.194 -3.178 -14.679 1.00 11.13 H new ATOM 0 HA GLU A 123 44.045 -4.942 -14.593 1.00 10.29 H new ATOM 0 HB2 GLU A 123 46.980 -5.359 -13.847 1.00 10.26 H new ATOM 0 HB3 GLU A 123 45.842 -6.655 -14.155 1.00 10.26 H new ATOM 0 HG2 GLU A 123 46.155 -4.460 -16.223 1.00 12.28 H new ATOM 0 HG3 GLU A 123 47.377 -5.713 -16.129 1.00 12.28 H new ATOM 1852 N MET A 124 45.258 -4.163 -11.655 0.50 8.41 N ATOM 1853 CA MET A 124 45.027 -4.281 -10.220 0.50 7.66 C ATOM 1854 C MET A 124 43.662 -3.711 -9.848 0.50 7.37 C ATOM 1855 O MET A 124 42.795 -4.428 -9.349 0.50 7.04 O ATOM 1856 CB MET A 124 46.120 -3.535 -9.453 0.50 7.67 C ATOM 1857 CG MET A 124 45.884 -3.688 -7.949 0.50 7.34 C ATOM 1858 SD MET A 124 47.473 -3.661 -7.083 0.50 9.25 S ATOM 1859 CE MET A 124 46.815 -3.759 -5.400 0.50 9.75 C ATOM 0 H MET A 124 45.954 -3.465 -11.918 0.50 8.41 H new ATOM 0 HA MET A 124 45.052 -5.337 -9.952 0.50 7.66 H new ATOM 0 HB2 MET A 124 47.100 -3.930 -9.720 0.50 7.67 H new ATOM 0 HB3 MET A 124 46.116 -2.480 -9.727 0.50 7.67 H new ATOM 0 HG2 MET A 124 45.246 -2.882 -7.586 0.50 7.34 H new ATOM 0 HG3 MET A 124 45.362 -4.623 -7.745 0.50 7.34 H new ATOM 0 HE1 MET A 124 47.639 -3.756 -4.686 0.50 9.75 H new ATOM 0 HE2 MET A 124 46.169 -2.902 -5.211 0.50 9.75 H new ATOM 0 HE3 MET A 124 46.240 -4.678 -5.287 0.50 9.75 H new ATOM 1869 N ILE A 125 43.479 -2.418 -10.093 1.00 7.50 N ATOM 1870 CA ILE A 125 42.215 -1.762 -9.779 1.00 8.03 C ATOM 1871 C ILE A 125 41.069 -2.408 -10.553 1.00 8.46 C ATOM 1872 O ILE A 125 40.005 -2.677 -9.995 1.00 9.97 O ATOM 1873 CB ILE A 125 42.296 -0.276 -10.130 1.00 9.03 C ATOM 1874 CG1 ILE A 125 41.317 0.509 -9.254 1.00 8.72 C ATOM 1875 CG2 ILE A 125 41.933 -0.077 -11.603 1.00 8.18 C ATOM 1876 CD1 ILE A 125 41.588 2.007 -9.401 1.00 11.99 C ATOM 0 H ILE A 125 44.184 -1.807 -10.505 1.00 7.50 H new ATOM 0 HA ILE A 125 42.026 -1.873 -8.711 1.00 8.03 H new ATOM 0 HB ILE A 125 43.310 0.083 -9.955 1.00 9.03 H new ATOM 0 HG12 ILE A 125 40.291 0.284 -9.545 1.00 8.72 H new ATOM 0 HG13 ILE A 125 41.425 0.210 -8.211 1.00 8.72 H new ATOM 0 HG21 ILE A 125 41.991 0.983 -11.852 1.00 8.18 H new ATOM 0 HG22 ILE A 125 42.630 -0.635 -12.228 1.00 8.18 H new ATOM 0 HG23 ILE A 125 40.919 -0.436 -11.780 1.00 8.18 H new ATOM 0 HD11 ILE A 125 40.891 2.566 -8.777 1.00 11.99 H new ATOM 0 HD12 ILE A 125 42.609 2.224 -9.088 1.00 11.99 H new ATOM 0 HD13 ILE A 125 41.458 2.300 -10.443 1.00 11.99 H new ATOM 1888 N ARG A 126 41.295 -2.654 -11.839 1.00 10.35 N ATOM 1889 CA ARG A 126 40.275 -3.269 -12.680 1.00 12.29 C ATOM 1890 C ARG A 126 39.869 -4.630 -12.122 1.00 12.05 C ATOM 1891 O ARG A 126 38.805 -5.154 -12.450 1.00 12.18 O ATOM 1892 CB ARG A 126 40.804 -3.437 -14.105 1.00 13.33 C ATOM 1893 CG ARG A 126 39.658 -3.853 -15.030 1.00 16.87 C ATOM 1894 CD ARG A 126 40.155 -3.884 -16.476 1.00 19.79 C ATOM 1895 NE ARG A 126 40.858 -5.134 -16.741 1.00 23.64 N ATOM 1896 CZ ARG A 126 41.560 -5.305 -17.857 1.00 25.37 C ATOM 1897 NH1 ARG A 126 42.180 -6.432 -18.072 1.00 25.82 N ATOM 1898 NH2 ARG A 126 41.628 -4.344 -18.738 1.00 27.23 N ATOM 0 H ARG A 126 42.169 -2.439 -12.319 1.00 10.35 H new ATOM 0 HA ARG A 126 39.401 -2.618 -12.692 1.00 12.29 H new ATOM 0 HB2 ARG A 126 41.245 -2.503 -14.453 1.00 13.33 H new ATOM 0 HB3 ARG A 126 41.593 -4.189 -14.125 1.00 13.33 H new ATOM 0 HG2 ARG A 126 39.282 -4.835 -14.742 1.00 16.87 H new ATOM 0 HG3 ARG A 126 38.827 -3.154 -14.935 1.00 16.87 H new ATOM 0 HD2 ARG A 126 39.313 -3.780 -17.160 1.00 19.79 H new ATOM 0 HD3 ARG A 126 40.819 -3.039 -16.658 1.00 19.79 H new ATOM 0 HE ARG A 126 40.810 -5.890 -16.058 1.00 23.64 H new ATOM 0 HH11 ARG A 126 42.126 -7.183 -17.384 1.00 25.82 H new ATOM 0 HH12 ARG A 126 42.718 -6.563 -18.928 1.00 25.82 H new ATOM 0 HH21 ARG A 126 41.143 -3.463 -18.570 1.00 27.23 H new ATOM 0 HH22 ARG A 126 42.166 -4.474 -19.594 1.00 27.23 H new ATOM 1912 N GLU A 127 40.725 -5.196 -11.277 1.00 11.23 N ATOM 1913 CA GLU A 127 40.446 -6.497 -10.680 1.00 11.00 C ATOM 1914 C GLU A 127 39.404 -6.366 -9.573 1.00 10.05 C ATOM 1915 O GLU A 127 38.360 -7.018 -9.610 1.00 10.87 O ATOM 1916 CB GLU A 127 41.732 -7.094 -10.105 1.00 10.54 C ATOM 1917 CG GLU A 127 41.494 -8.560 -9.735 1.00 12.15 C ATOM 1918 CD GLU A 127 41.598 -9.434 -10.980 1.00 14.58 C ATOM 1919 OE1 GLU A 127 40.776 -9.270 -11.866 1.00 15.50 O ATOM 1920 OE2 GLU A 127 42.498 -10.256 -11.029 1.00 12.21 O ATOM 0 H GLU A 127 41.611 -4.778 -10.992 1.00 11.23 H new ATOM 0 HA GLU A 127 40.055 -7.156 -11.455 1.00 11.00 H new ATOM 0 HB2 GLU A 127 42.538 -7.018 -10.834 1.00 10.54 H new ATOM 0 HB3 GLU A 127 42.045 -6.532 -9.225 1.00 10.54 H new ATOM 0 HG2 GLU A 127 42.226 -8.880 -8.993 1.00 12.15 H new ATOM 0 HG3 GLU A 127 40.510 -8.674 -9.281 1.00 12.15 H new ATOM 1927 N ALA A 128 39.695 -5.521 -8.590 1.00 9.88 N ATOM 1928 CA ALA A 128 38.776 -5.313 -7.477 1.00 9.79 C ATOM 1929 C ALA A 128 37.630 -4.396 -7.892 1.00 9.77 C ATOM 1930 O ALA A 128 36.736 -4.105 -7.097 1.00 9.01 O ATOM 1931 CB ALA A 128 39.522 -4.696 -6.292 1.00 10.50 C ATOM 0 H ALA A 128 40.554 -4.973 -8.541 1.00 9.88 H new ATOM 0 HA ALA A 128 38.365 -6.279 -7.184 1.00 9.79 H new ATOM 0 HB1 ALA A 128 38.829 -4.544 -5.465 1.00 10.50 H new ATOM 0 HB2 ALA A 128 40.322 -5.366 -5.977 1.00 10.50 H new ATOM 0 HB3 ALA A 128 39.948 -3.738 -6.589 1.00 10.50 H new ATOM 1937 N ASP A 129 37.663 -3.944 -9.141 1.00 9.64 N ATOM 1938 CA ASP A 129 36.620 -3.061 -9.651 1.00 9.00 C ATOM 1939 C ASP A 129 35.327 -3.836 -9.883 1.00 8.76 C ATOM 1940 O ASP A 129 35.120 -4.410 -10.952 1.00 10.86 O ATOM 1941 CB ASP A 129 37.076 -2.418 -10.963 1.00 7.85 C ATOM 1942 CG ASP A 129 35.993 -1.481 -11.487 1.00 9.69 C ATOM 1943 OD1 ASP A 129 34.899 -1.512 -10.949 1.00 9.05 O ATOM 1944 OD2 ASP A 129 36.274 -0.747 -12.420 1.00 6.85 O ATOM 0 H ASP A 129 38.394 -4.172 -9.814 1.00 9.64 H new ATOM 0 HA ASP A 129 36.435 -2.283 -8.911 1.00 9.00 H new ATOM 0 HB2 ASP A 129 38.002 -1.865 -10.804 1.00 7.85 H new ATOM 0 HB3 ASP A 129 37.289 -3.191 -11.702 1.00 7.85 H new ATOM 1949 N ILE A 130 34.461 -3.848 -8.875 1.00 7.88 N ATOM 1950 CA ILE A 130 33.191 -4.556 -8.981 1.00 5.73 C ATOM 1951 C ILE A 130 32.471 -4.177 -10.272 1.00 5.05 C ATOM 1952 O ILE A 130 31.989 -5.043 -11.002 1.00 5.02 O ATOM 1953 CB ILE A 130 32.304 -4.218 -7.782 1.00 6.80 C ATOM 1954 CG1 ILE A 130 33.085 -4.457 -6.488 1.00 8.06 C ATOM 1955 CG2 ILE A 130 31.062 -5.111 -7.798 1.00 4.19 C ATOM 1956 CD1 ILE A 130 32.267 -3.953 -5.297 1.00 12.26 C ATOM 0 H ILE A 130 34.614 -3.379 -7.982 1.00 7.88 H new ATOM 0 HA ILE A 130 33.394 -5.627 -8.993 1.00 5.73 H new ATOM 0 HB ILE A 130 32.001 -3.172 -7.838 1.00 6.80 H new ATOM 0 HG12 ILE A 130 33.300 -5.519 -6.372 1.00 8.06 H new ATOM 0 HG13 ILE A 130 34.044 -3.940 -6.529 1.00 8.06 H new ATOM 0 HG21 ILE A 130 30.430 -4.870 -6.943 1.00 4.19 H new ATOM 0 HG22 ILE A 130 30.505 -4.943 -8.720 1.00 4.19 H new ATOM 0 HG23 ILE A 130 31.365 -6.157 -7.742 1.00 4.19 H new ATOM 0 HD11 ILE A 130 32.823 -4.123 -4.375 1.00 12.26 H new ATOM 0 HD12 ILE A 130 32.075 -2.886 -5.413 1.00 12.26 H new ATOM 0 HD13 ILE A 130 31.319 -4.490 -5.253 1.00 12.26 H new ATOM 1968 N ASP A 131 32.403 -2.879 -10.547 1.00 3.37 N ATOM 1969 CA ASP A 131 31.740 -2.397 -11.753 1.00 3.41 C ATOM 1970 C ASP A 131 32.638 -2.587 -12.971 1.00 3.42 C ATOM 1971 O ASP A 131 32.171 -2.556 -14.109 1.00 5.27 O ATOM 1972 CB ASP A 131 31.391 -0.916 -11.601 1.00 3.12 C ATOM 1973 CG ASP A 131 31.149 -0.585 -10.132 1.00 5.63 C ATOM 1974 OD1 ASP A 131 30.986 -1.512 -9.356 1.00 7.79 O ATOM 1975 OD2 ASP A 131 31.131 0.590 -9.804 1.00 5.83 O ATOM 0 H ASP A 131 32.796 -2.146 -9.956 1.00 3.37 H new ATOM 0 HA ASP A 131 30.826 -2.973 -11.896 1.00 3.41 H new ATOM 0 HB2 ASP A 131 32.201 -0.301 -11.992 1.00 3.12 H new ATOM 0 HB3 ASP A 131 30.502 -0.682 -12.186 1.00 3.12 H new ATOM 1980 N GLY A 132 33.929 -2.784 -12.723 1.00 3.22 N ATOM 1981 CA GLY A 132 34.884 -2.978 -13.808 1.00 3.08 C ATOM 1982 C GLY A 132 34.794 -1.843 -14.822 1.00 3.63 C ATOM 1983 O GLY A 132 34.797 -2.075 -16.031 1.00 3.93 O ATOM 0 H GLY A 132 34.335 -2.813 -11.788 1.00 3.22 H new ATOM 0 HA2 GLY A 132 35.895 -3.030 -13.403 1.00 3.08 H new ATOM 0 HA3 GLY A 132 34.690 -3.929 -14.303 1.00 3.08 H new ATOM 1987 N ASP A 133 34.715 -0.614 -14.322 1.00 3.43 N ATOM 1988 CA ASP A 133 34.625 0.551 -15.194 1.00 4.62 C ATOM 1989 C ASP A 133 35.982 1.237 -15.313 1.00 4.97 C ATOM 1990 O ASP A 133 36.129 2.223 -16.037 1.00 5.60 O ATOM 1991 CB ASP A 133 33.598 1.540 -14.640 1.00 4.81 C ATOM 1992 CG ASP A 133 32.318 0.804 -14.258 1.00 6.31 C ATOM 1993 OD1 ASP A 133 31.613 1.294 -13.391 1.00 9.56 O ATOM 1994 OD2 ASP A 133 32.063 -0.239 -14.836 1.00 5.38 O ATOM 0 H ASP A 133 34.711 -0.400 -13.325 1.00 3.43 H new ATOM 0 HA ASP A 133 34.311 0.218 -16.183 1.00 4.62 H new ATOM 0 HB2 ASP A 133 34.007 2.052 -13.769 1.00 4.81 H new ATOM 0 HB3 ASP A 133 33.379 2.305 -15.385 1.00 4.81 H new ATOM 1999 N GLY A 134 36.971 0.710 -14.599 1.00 5.35 N ATOM 2000 CA GLY A 134 38.312 1.281 -14.632 1.00 5.78 C ATOM 2001 C GLY A 134 38.546 2.194 -13.434 1.00 6.89 C ATOM 2002 O GLY A 134 39.579 2.856 -13.338 1.00 7.32 O ATOM 0 H GLY A 134 36.871 -0.106 -13.995 1.00 5.35 H new ATOM 0 HA2 GLY A 134 39.052 0.481 -14.634 1.00 5.78 H new ATOM 0 HA3 GLY A 134 38.449 1.844 -15.555 1.00 5.78 H new ATOM 2006 N GLN A 135 37.579 2.225 -12.523 1.00 8.76 N ATOM 2007 CA GLN A 135 37.690 3.061 -11.333 1.00 10.22 C ATOM 2008 C GLN A 135 37.030 2.382 -10.138 1.00 10.54 C ATOM 2009 O GLN A 135 36.262 1.433 -10.297 1.00 9.45 O ATOM 2010 CB GLN A 135 37.025 4.417 -11.584 1.00 11.41 C ATOM 2011 CG GLN A 135 35.504 4.250 -11.573 1.00 15.22 C ATOM 2012 CD GLN A 135 34.846 5.426 -12.285 1.00 14.99 C ATOM 2013 OE1 GLN A 135 34.192 6.252 -11.648 1.00 22.05 O ATOM 2014 NE2 GLN A 135 34.980 5.553 -13.577 1.00 21.85 N ATOM 0 H GLN A 135 36.716 1.685 -12.585 1.00 8.76 H new ATOM 0 HA GLN A 135 38.747 3.210 -11.113 1.00 10.22 H new ATOM 0 HB2 GLN A 135 37.329 5.130 -10.818 1.00 11.41 H new ATOM 0 HB3 GLN A 135 37.350 4.821 -12.543 1.00 11.41 H new ATOM 0 HG2 GLN A 135 35.229 3.317 -12.064 1.00 15.22 H new ATOM 0 HG3 GLN A 135 35.144 4.188 -10.546 1.00 15.22 H new ATOM 0 HE21 GLN A 135 35.522 4.868 -14.103 1.00 21.85 H new ATOM 0 HE22 GLN A 135 34.543 6.337 -14.060 1.00 21.85 H new ATOM 2023 N VAL A 136 37.334 2.874 -8.941 1.00 10.23 N ATOM 2024 CA VAL A 136 36.763 2.305 -7.725 1.00 8.85 C ATOM 2025 C VAL A 136 36.009 3.371 -6.936 1.00 7.34 C ATOM 2026 O VAL A 136 36.614 4.178 -6.230 1.00 7.03 O ATOM 2027 CB VAL A 136 37.873 1.713 -6.855 1.00 7.54 C ATOM 2028 CG1 VAL A 136 37.307 1.350 -5.481 1.00 8.16 C ATOM 2029 CG2 VAL A 136 38.428 0.454 -7.525 1.00 10.34 C ATOM 0 H VAL A 136 37.967 3.659 -8.787 1.00 10.23 H new ATOM 0 HA VAL A 136 36.064 1.518 -8.008 1.00 8.85 H new ATOM 0 HB VAL A 136 38.671 2.446 -6.737 1.00 7.54 H new ATOM 0 HG11 VAL A 136 38.098 0.928 -4.861 1.00 8.16 H new ATOM 0 HG12 VAL A 136 36.910 2.246 -5.003 1.00 8.16 H new ATOM 0 HG13 VAL A 136 36.509 0.617 -5.598 1.00 8.16 H new ATOM 0 HG21 VAL A 136 39.219 0.031 -6.906 1.00 10.34 H new ATOM 0 HG22 VAL A 136 37.629 -0.278 -7.643 1.00 10.34 H new ATOM 0 HG23 VAL A 136 38.832 0.711 -8.504 1.00 10.34 H new ATOM 2039 N ASN A 137 34.686 3.367 -7.061 1.00 6.53 N ATOM 2040 CA ASN A 137 33.859 4.339 -6.355 1.00 7.00 C ATOM 2041 C ASN A 137 33.887 4.073 -4.853 1.00 7.22 C ATOM 2042 O ASN A 137 34.219 2.972 -4.414 1.00 10.52 O ATOM 2043 CB ASN A 137 32.418 4.264 -6.862 1.00 6.31 C ATOM 2044 CG ASN A 137 32.318 4.898 -8.245 1.00 7.74 C ATOM 2045 OD1 ASN A 137 32.755 6.032 -8.443 1.00 12.02 O ATOM 2046 ND2 ASN A 137 31.767 4.229 -9.221 1.00 9.78 N ATOM 0 H ASN A 137 34.167 2.707 -7.640 1.00 6.53 H new ATOM 0 HA ASN A 137 34.259 5.335 -6.544 1.00 7.00 H new ATOM 0 HB2 ASN A 137 32.093 3.225 -6.905 1.00 6.31 H new ATOM 0 HB3 ASN A 137 31.753 4.778 -6.168 1.00 6.31 H new ATOM 0 HD21 ASN A 137 31.698 4.645 -10.150 1.00 9.78 H new ATOM 0 HD22 ASN A 137 31.406 3.290 -9.055 1.00 9.78 H new ATOM 2053 N TYR A 138 33.536 5.089 -4.071 0.50 8.14 N ATOM 2054 CA TYR A 138 33.525 4.952 -2.619 0.50 7.95 C ATOM 2055 C TYR A 138 32.714 3.730 -2.202 0.50 8.75 C ATOM 2056 O TYR A 138 33.094 3.004 -1.283 0.50 8.62 O ATOM 2057 CB TYR A 138 32.925 6.206 -1.980 0.50 7.85 C ATOM 2058 CG TYR A 138 32.687 5.958 -0.510 0.50 6.95 C ATOM 2059 CD1 TYR A 138 33.546 6.518 0.443 0.50 6.52 C ATOM 2060 CD2 TYR A 138 31.606 5.168 -0.100 0.50 5.59 C ATOM 2061 CE1 TYR A 138 33.325 6.288 1.806 0.50 7.79 C ATOM 2062 CE2 TYR A 138 31.385 4.937 1.263 0.50 5.99 C ATOM 2063 CZ TYR A 138 32.244 5.498 2.216 0.50 6.26 C ATOM 2064 OH TYR A 138 32.026 5.271 3.560 0.50 6.33 O ATOM 0 H TYR A 138 33.258 6.008 -4.414 0.50 8.14 H new ATOM 0 HA TYR A 138 34.553 4.826 -2.278 0.50 7.95 H new ATOM 0 HB2 TYR A 138 33.599 7.052 -2.112 0.50 7.85 H new ATOM 0 HB3 TYR A 138 31.988 6.465 -2.472 0.50 7.85 H new ATOM 0 HD1 TYR A 138 34.379 7.128 0.127 0.50 6.52 H new ATOM 0 HD2 TYR A 138 30.943 4.737 -0.835 0.50 5.59 H new ATOM 0 HE1 TYR A 138 33.988 6.720 2.541 0.50 7.79 H new ATOM 0 HE2 TYR A 138 30.552 4.326 1.579 0.50 5.99 H new ATOM 0 HH TYR A 138 31.235 4.704 3.672 0.50 6.33 H new ATOM 2074 N GLU A 139 31.596 3.507 -2.885 1.00 9.07 N ATOM 2075 CA GLU A 139 30.739 2.368 -2.577 1.00 10.59 C ATOM 2076 C GLU A 139 31.542 1.072 -2.602 1.00 9.77 C ATOM 2077 O GLU A 139 31.396 0.223 -1.722 1.00 11.13 O ATOM 2078 CB GLU A 139 29.597 2.283 -3.592 1.00 10.86 C ATOM 2079 CG GLU A 139 29.050 3.685 -3.865 1.00 14.67 C ATOM 2080 CD GLU A 139 28.737 4.388 -2.549 1.00 16.27 C ATOM 2081 OE1 GLU A 139 27.995 3.825 -1.761 1.00 22.33 O ATOM 2082 OE2 GLU A 139 29.245 5.479 -2.347 1.00 20.01 O ATOM 0 H GLU A 139 31.264 4.095 -3.650 1.00 9.07 H new ATOM 0 HA GLU A 139 30.326 2.508 -1.578 1.00 10.59 H new ATOM 0 HB2 GLU A 139 29.953 1.833 -4.519 1.00 10.86 H new ATOM 0 HB3 GLU A 139 28.804 1.640 -3.210 1.00 10.86 H new ATOM 0 HG2 GLU A 139 29.779 4.264 -4.432 1.00 14.67 H new ATOM 0 HG3 GLU A 139 28.149 3.620 -4.475 1.00 14.67 H new ATOM 2089 N GLU A 140 32.390 0.926 -3.615 1.00 10.22 N ATOM 2090 CA GLU A 140 33.212 -0.272 -3.743 1.00 8.98 C ATOM 2091 C GLU A 140 34.163 -0.396 -2.557 1.00 8.77 C ATOM 2092 O GLU A 140 34.478 -1.500 -2.115 1.00 8.82 O ATOM 2093 CB GLU A 140 34.017 -0.216 -5.043 1.00 9.71 C ATOM 2094 CG GLU A 140 33.165 -0.754 -6.194 1.00 8.70 C ATOM 2095 CD GLU A 140 33.375 0.098 -7.441 1.00 9.57 C ATOM 2096 OE1 GLU A 140 33.242 1.306 -7.338 1.00 13.45 O ATOM 2097 OE2 GLU A 140 33.667 -0.470 -8.480 1.00 10.05 O ATOM 0 H GLU A 140 32.526 1.616 -4.354 1.00 10.22 H new ATOM 0 HA GLU A 140 32.556 -1.142 -3.761 1.00 8.98 H new ATOM 0 HB2 GLU A 140 34.322 0.810 -5.251 1.00 9.71 H new ATOM 0 HB3 GLU A 140 34.928 -0.806 -4.945 1.00 9.71 H new ATOM 0 HG2 GLU A 140 33.433 -1.790 -6.402 1.00 8.70 H new ATOM 0 HG3 GLU A 140 32.112 -0.747 -5.912 1.00 8.70 H new ATOM 2104 N PHE A 141 34.616 0.745 -2.048 1.00 7.84 N ATOM 2105 CA PHE A 141 35.531 0.753 -0.912 1.00 6.81 C ATOM 2106 C PHE A 141 34.962 -0.072 0.238 1.00 7.49 C ATOM 2107 O PHE A 141 35.682 -0.833 0.885 1.00 8.25 O ATOM 2108 CB PHE A 141 35.769 2.190 -0.444 1.00 7.47 C ATOM 2109 CG PHE A 141 37.244 2.407 -0.201 1.00 5.76 C ATOM 2110 CD1 PHE A 141 38.152 2.287 -1.260 1.00 6.47 C ATOM 2111 CD2 PHE A 141 37.702 2.729 1.082 1.00 4.85 C ATOM 2112 CE1 PHE A 141 39.519 2.488 -1.035 1.00 2.00 C ATOM 2113 CE2 PHE A 141 39.069 2.930 1.307 1.00 4.27 C ATOM 2114 CZ PHE A 141 39.978 2.810 0.248 1.00 2.00 C ATOM 0 H PHE A 141 34.367 1.669 -2.401 1.00 7.84 H new ATOM 0 HA PHE A 141 36.477 0.313 -1.227 1.00 6.81 H new ATOM 0 HB2 PHE A 141 35.407 2.892 -1.195 1.00 7.47 H new ATOM 0 HB3 PHE A 141 35.207 2.383 0.470 1.00 7.47 H new ATOM 0 HD1 PHE A 141 37.798 2.040 -2.250 1.00 6.47 H new ATOM 0 HD2 PHE A 141 37.001 2.822 1.898 1.00 4.85 H new ATOM 0 HE1 PHE A 141 40.220 2.395 -1.851 1.00 2.00 H new ATOM 0 HE2 PHE A 141 39.423 3.178 2.297 1.00 4.27 H new ATOM 0 HZ PHE A 141 41.033 2.966 0.421 1.00 2.00 H new ATOM 2124 N VAL A 142 33.666 0.085 0.487 1.00 5.97 N ATOM 2125 CA VAL A 142 33.010 -0.650 1.562 1.00 6.53 C ATOM 2126 C VAL A 142 33.112 -2.153 1.322 1.00 5.16 C ATOM 2127 O VAL A 142 33.244 -2.934 2.264 1.00 5.28 O ATOM 2128 CB VAL A 142 31.539 -0.244 1.650 1.00 7.17 C ATOM 2129 CG1 VAL A 142 30.817 -1.149 2.651 1.00 10.15 C ATOM 2130 CG2 VAL A 142 31.440 1.210 2.116 1.00 7.96 C ATOM 0 H VAL A 142 33.053 0.710 -0.037 1.00 5.97 H new ATOM 0 HA VAL A 142 33.509 -0.408 2.500 1.00 6.53 H new ATOM 0 HB VAL A 142 31.075 -0.346 0.669 1.00 7.17 H new ATOM 0 HG11 VAL A 142 29.768 -0.859 2.713 1.00 10.15 H new ATOM 0 HG12 VAL A 142 30.888 -2.186 2.321 1.00 10.15 H new ATOM 0 HG13 VAL A 142 31.280 -1.048 3.633 1.00 10.15 H new ATOM 0 HG21 VAL A 142 30.392 1.501 2.179 1.00 7.96 H new ATOM 0 HG22 VAL A 142 31.904 1.310 3.097 1.00 7.96 H new ATOM 0 HG23 VAL A 142 31.954 1.856 1.404 1.00 7.96 H new ATOM 2140 N GLN A 143 33.049 -2.551 0.055 0.50 5.93 N ATOM 2141 CA GLN A 143 33.135 -3.964 -0.296 0.50 5.91 C ATOM 2142 C GLN A 143 34.368 -4.598 0.338 0.50 5.69 C ATOM 2143 O GLN A 143 34.267 -5.597 1.051 0.50 5.40 O ATOM 2144 CB GLN A 143 33.202 -4.121 -1.817 0.50 5.96 C ATOM 2145 CG GLN A 143 32.822 -5.552 -2.200 0.50 6.79 C ATOM 2146 CD GLN A 143 31.385 -5.840 -1.778 0.50 8.07 C ATOM 2147 OE1 GLN A 143 30.493 -4.889 -1.840 0.50 7.89 O flip ATOM 2148 NE2 GLN A 143 31.066 -6.961 -1.382 0.50 8.24 N flip ATOM 0 H GLN A 143 32.940 -1.921 -0.740 0.50 5.93 H new ATOM 0 HA GLN A 143 32.246 -4.469 0.082 0.50 5.91 H new ATOM 0 HB2 GLN A 143 32.526 -3.413 -2.296 0.50 5.96 H new ATOM 0 HB3 GLN A 143 34.207 -3.893 -2.173 0.50 5.96 H new ATOM 0 HG2 GLN A 143 32.928 -5.690 -3.276 0.50 6.79 H new ATOM 0 HG3 GLN A 143 33.499 -6.258 -1.720 0.50 6.79 H new ATOM 0 HE21 GLN A 143 31.764 -7.703 -1.334 0.50 8.24 H new ATOM 0 HE22 GLN A 143 30.103 -7.148 -1.102 0.50 8.24 H new ATOM 2157 N MET A 144 35.532 -4.012 0.074 0.50 6.59 N ATOM 2158 CA MET A 144 36.779 -4.530 0.625 0.50 5.84 C ATOM 2159 C MET A 144 36.647 -4.753 2.128 0.50 6.04 C ATOM 2160 O MET A 144 37.226 -5.689 2.679 0.50 6.68 O ATOM 2161 CB MET A 144 37.919 -3.547 0.350 0.50 5.76 C ATOM 2162 CG MET A 144 39.258 -4.280 0.447 0.50 5.91 C ATOM 2163 SD MET A 144 39.933 -4.526 -1.214 0.50 4.59 S ATOM 2164 CE MET A 144 40.914 -6.001 -0.844 0.50 2.00 C ATOM 0 H MET A 144 35.637 -3.185 -0.513 0.50 6.59 H new ATOM 0 HA MET A 144 36.999 -5.484 0.146 0.50 5.84 H new ATOM 0 HB2 MET A 144 37.804 -3.108 -0.641 0.50 5.76 H new ATOM 0 HB3 MET A 144 37.888 -2.727 1.068 0.50 5.76 H new ATOM 0 HG2 MET A 144 39.957 -3.704 1.053 0.50 5.91 H new ATOM 0 HG3 MET A 144 39.123 -5.241 0.942 0.50 5.91 H new ATOM 0 HE1 MET A 144 41.427 -6.333 -1.747 0.50 2.00 H new ATOM 0 HE2 MET A 144 41.649 -5.765 -0.074 0.50 2.00 H new ATOM 0 HE3 MET A 144 40.257 -6.795 -0.488 0.50 2.00 H new ATOM 2174 N MET A 145 35.883 -3.886 2.785 0.50 6.29 N ATOM 2175 CA MET A 145 35.683 -3.999 4.225 0.50 7.25 C ATOM 2176 C MET A 145 34.937 -5.286 4.562 0.50 7.30 C ATOM 2177 O MET A 145 34.885 -5.701 5.720 0.50 6.60 O ATOM 2178 CB MET A 145 34.889 -2.797 4.738 0.50 7.65 C ATOM 2179 CG MET A 145 35.082 -2.664 6.250 0.50 9.43 C ATOM 2180 SD MET A 145 33.546 -2.078 7.006 0.50 13.37 S ATOM 2181 CE MET A 145 34.037 -2.315 8.731 0.50 13.25 C ATOM 0 H MET A 145 35.396 -3.104 2.348 0.50 6.29 H new ATOM 0 HA MET A 145 36.660 -4.021 4.708 0.50 7.25 H new ATOM 0 HB2 MET A 145 35.221 -1.888 4.237 0.50 7.65 H new ATOM 0 HB3 MET A 145 33.831 -2.921 4.505 0.50 7.65 H new ATOM 0 HG2 MET A 145 35.366 -3.626 6.677 0.50 9.43 H new ATOM 0 HG3 MET A 145 35.893 -1.968 6.464 0.50 9.43 H new ATOM 0 HE1 MET A 145 33.382 -1.732 9.379 0.50 13.25 H new ATOM 0 HE2 MET A 145 33.958 -3.371 8.990 0.50 13.25 H new ATOM 0 HE3 MET A 145 35.067 -1.985 8.865 0.50 13.25 H new ATOM 2191 N THR A 146 34.362 -5.914 3.541 1.00 7.72 N ATOM 2192 CA THR A 146 33.621 -7.155 3.740 1.00 9.13 C ATOM 2193 C THR A 146 34.339 -8.320 3.067 1.00 10.78 C ATOM 2194 O THR A 146 34.125 -9.480 3.418 1.00 9.16 O ATOM 2195 CB THR A 146 32.210 -7.019 3.163 1.00 10.24 C ATOM 2196 OG1 THR A 146 32.292 -6.591 1.811 1.00 8.27 O ATOM 2197 CG2 THR A 146 31.420 -5.994 3.978 1.00 10.65 C ATOM 0 H THR A 146 34.394 -5.588 2.575 1.00 7.72 H new ATOM 0 HA THR A 146 33.557 -7.352 4.810 1.00 9.13 H new ATOM 0 HB THR A 146 31.704 -7.983 3.209 1.00 10.24 H new ATOM 0 HG1 THR A 146 33.232 -6.560 1.534 1.00 8.27 H new ATOM 0 HG21 THR A 146 30.415 -5.898 3.566 1.00 10.65 H new ATOM 0 HG22 THR A 146 31.357 -6.324 5.015 1.00 10.65 H new ATOM 0 HG23 THR A 146 31.924 -5.028 3.935 1.00 10.65 H new ATOM 2205 N ALA A 147 35.191 -8.002 2.097 1.00 12.23 N ATOM 2206 CA ALA A 147 35.936 -9.031 1.381 1.00 14.56 C ATOM 2207 C ALA A 147 36.892 -9.756 2.323 1.00 16.77 C ATOM 2208 O ALA A 147 37.934 -9.219 2.699 1.00 18.52 O ATOM 2209 CB ALA A 147 36.727 -8.400 0.234 1.00 15.29 C ATOM 0 H ALA A 147 35.382 -7.048 1.791 1.00 12.23 H new ATOM 0 HA ALA A 147 35.225 -9.753 0.978 1.00 14.56 H new ATOM 0 HB1 ALA A 147 37.281 -9.175 -0.296 1.00 15.29 H new ATOM 0 HB2 ALA A 147 36.040 -7.910 -0.455 1.00 15.29 H new ATOM 0 HB3 ALA A 147 37.425 -7.665 0.635 1.00 15.29 H new ATOM 2215 N LYS A 148 36.529 -10.977 2.701 1.00 18.29 N ATOM 2216 CA LYS A 148 37.363 -11.766 3.601 1.00 19.47 C ATOM 2217 C LYS A 148 38.718 -12.054 2.961 1.00 20.05 C ATOM 2218 O LYS A 148 39.372 -11.108 2.556 1.00 20.38 O ATOM 2219 CB LYS A 148 36.665 -13.085 3.937 1.00 19.94 C ATOM 2220 CG LYS A 148 35.460 -12.810 4.839 1.00 19.92 C ATOM 2221 CD LYS A 148 34.957 -14.126 5.435 1.00 21.49 C ATOM 2222 CE LYS A 148 33.448 -14.036 5.671 1.00 21.36 C ATOM 2223 NZ LYS A 148 33.179 -13.125 6.820 1.00 23.42 N ATOM 2224 OXT LYS A 148 39.080 -13.217 2.887 1.00 20.68 O ATOM 0 H LYS A 148 35.670 -11.439 2.401 1.00 18.29 H new ATOM 0 HA LYS A 148 37.520 -11.195 4.516 1.00 19.47 H new ATOM 0 HB2 LYS A 148 36.342 -13.581 3.022 1.00 19.94 H new ATOM 0 HB3 LYS A 148 37.360 -13.760 4.437 1.00 19.94 H new ATOM 0 HG2 LYS A 148 35.739 -12.121 5.636 1.00 19.92 H new ATOM 0 HG3 LYS A 148 34.666 -12.331 4.267 1.00 19.92 H new ATOM 0 HD2 LYS A 148 35.182 -14.952 4.760 1.00 21.49 H new ATOM 0 HD3 LYS A 148 35.471 -14.332 6.374 1.00 21.49 H new ATOM 0 HE2 LYS A 148 32.950 -13.665 4.775 1.00 21.36 H new ATOM 0 HE3 LYS A 148 33.041 -15.026 5.875 1.00 21.36 H new ATOM 0 HZ1 LYS A 148 32.157 -13.103 7.014 1.00 23.42 H new ATOM 0 HZ2 LYS A 148 33.684 -13.469 7.662 1.00 23.42 H new ATOM 0 HZ3 LYS A 148 33.508 -12.166 6.587 1.00 23.42 H new TER 2238 LYS A 148 HETATM 2239 CA CA A 401 62.878 6.724 8.678 1.00 3.06 CA HETATM 2240 CA CA A 402 38.522 11.858 -7.823 1.00 3.06 CA HETATM 2241 CA CA A 403 33.442 1.631 -10.797 1.00 3.06 CA HETATM 2242 TB TB A 404 58.412 2.698 20.683 1.00 4.04 TB