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= -9.14! C(o=-13!,f=-17!) USER MOD Set 1.2: A 137 ASN : amide:sc= -3.39! C(o=-13!,f=-18!) USER MOD Set 2.1: A 97 ASN : amide:sc= -7.47! C(o=-6.8!,f=-13!) USER MOD Set 2.2: A 99 TYR OH : rot -126:sc= 0.711 USER MOD Set 3.1: A 51 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Set 3.2: A 71 MET CE :methyl 169:sc= -0.196 (180deg=-0.479) USER MOD Set 4.1: A 5 THR OG1 : rot 126:sc= -2! USER MOD Set 4.2: A 8 GLN : amide:sc= -6.3! C(o=-8.3!,f=-10!) USER MOD Single : A 3 GLN :FLIP amide:sc= -0.218 F(o=-2.6!,f=-0.22) USER MOD Single : A 13 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 17 SER OG : rot 180:sc= 0.0325 USER MOD Single : A 21 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 26 THR OG1 : rot -68:sc= 0.934 USER MOD Single : A 28 THR OG1 : rot -160:sc= -0.798 USER MOD Single : A 29 THR OG1 : rot 180:sc= -1.24 USER MOD Single : A 30 LYS NZ :NH3+ 161:sc= -0.124 (180deg=-0.988) USER MOD Single : A 34 THR OG1 : rot 96:sc= 1.13 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 :FLIP amide:sc=-0.00663 F(o=-1.1,f=-0.0066) USER MOD Single : A 42 ASN :FLIP amide:sc= -0.0756 F(o=-1.6!,f=-0.076) USER MOD Single : A 44 THR OG1 : rot 180:sc= 0.0225 USER MOD Single : A 49 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 53 ASN : amide:sc= -0.182 K(o=-0.18,f=-1.1) USER MOD Single : A 62 THR OG1 : rot 80:sc= 0.478 USER MOD Single : A 70 THR OG1 : rot 98:sc= 0.434! USER MOD Single : A 72 MET CE :methyl -171:sc= -0.196 (180deg=-0.34) USER MOD Single : A 75 LYS NZ :NH3+ -153:sc= 0.798 (180deg=0.434) USER MOD Single : A 76 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 77 LYS NZ :NH3+ -163:sc=-0.00608 (180deg=-0.412) USER MOD Single : A 79 THR OG1 : rot 180:sc= 0 USER MOD Single : A 81 SER OG : rot 37:sc= 0.0119 USER MOD Single : A 94 LYS NZ :NH3+ 150:sc= -0.192 (180deg=-1.09) USER MOD Single : A 101 SER OG : rot 180:sc= -0.183 USER MOD Single : A 107 HIS : no HD1:sc= -1.12 K(o=-1.1,f=-1.9) USER MOD Single : A 109 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 110 THR OG1 : rot 57:sc= -1.32 USER MOD Single : A 111 ASN : amide:sc= -0.0664 K(o=-0.066,f=-2.5!) USER MOD Single : A 115 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 117 THR OG1 : rot -132:sc= -4.47! 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 : amide:sc= -5.93! C(o=-5.9!,f=-11!) USER MOD Single : A 144 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 145 MET CE :methyl -125:sc= 0 (180deg=-0.656) USER MOD Single : A 146 THR OG1 : rot -63:sc= 0.352! USER MOD Single : A 148 LYS NZ :NH3+ 168:sc= -2.02! (180deg=-2.45!) USER MOD ----------------------------------------------------------------- ATOM 1 N GLN A 3 49.388 -17.045 14.889 1.00 20.16 N ATOM 2 CA GLN A 3 50.042 -15.742 14.857 1.00 19.97 C ATOM 3 C GLN A 3 50.068 -15.191 13.435 1.00 17.59 C ATOM 4 O GLN A 3 49.363 -15.684 12.555 1.00 19.14 O ATOM 5 CB GLN A 3 51.472 -15.862 15.386 1.00 20.20 C ATOM 6 CG GLN A 3 51.448 -15.923 16.914 1.00 23.46 C ATOM 7 CD GLN A 3 51.125 -14.547 17.486 1.00 22.58 C ATOM 8 OE1 GLN A 3 51.053 -13.518 16.686 1.00 23.20 O flip ATOM 9 NE2 GLN A 3 50.932 -14.405 18.694 1.00 23.18 N flip ATOM 0 HA GLN A 3 49.477 -15.057 15.490 1.00 19.97 H new ATOM 0 HB2 GLN A 3 51.946 -16.757 14.983 1.00 20.20 H new ATOM 0 HB3 GLN A 3 52.066 -15.010 15.055 1.00 20.20 H new ATOM 0 HG2 GLN A 3 50.704 -16.647 17.246 1.00 23.46 H new ATOM 0 HG3 GLN A 3 52.414 -16.264 17.288 1.00 23.46 H new ATOM 0 HE21 GLN A 3 50.989 -15.210 19.318 1.00 23.18 H new ATOM 0 HE22 GLN A 3 50.715 -13.482 19.071 1.00 23.18 H new ATOM 18 N LEU A 4 50.886 -14.166 13.218 1.00 13.49 N ATOM 19 CA LEU A 4 50.995 -13.556 11.898 1.00 12.54 C ATOM 20 C LEU A 4 51.783 -14.458 10.954 1.00 9.75 C ATOM 21 O LEU A 4 52.861 -14.944 11.299 1.00 11.53 O ATOM 22 CB LEU A 4 51.691 -12.197 12.007 1.00 12.03 C ATOM 23 CG LEU A 4 51.151 -11.259 10.926 1.00 14.38 C ATOM 24 CD1 LEU A 4 49.767 -10.751 11.335 1.00 12.06 C ATOM 25 CD2 LEU A 4 52.101 -10.070 10.764 1.00 13.89 C ATOM 0 H LEU A 4 51.478 -13.743 13.933 1.00 13.49 H new ATOM 0 HA LEU A 4 49.990 -13.419 11.498 1.00 12.54 H new ATOM 0 HB2 LEU A 4 51.521 -11.768 12.994 1.00 12.03 H new ATOM 0 HB3 LEU A 4 52.768 -12.318 11.893 1.00 12.03 H new ATOM 0 HG LEU A 4 51.076 -11.798 9.982 1.00 14.38 H new ATOM 0 HD11 LEU A 4 49.382 -10.083 10.565 1.00 12.06 H new ATOM 0 HD12 LEU A 4 49.089 -11.597 11.453 1.00 12.06 H new ATOM 0 HD13 LEU A 4 49.842 -10.211 12.279 1.00 12.06 H new ATOM 0 HD21 LEU A 4 51.718 -9.400 9.994 1.00 13.89 H new ATOM 0 HD22 LEU A 4 52.175 -9.532 11.709 1.00 13.89 H new ATOM 0 HD23 LEU A 4 53.088 -10.430 10.473 1.00 13.89 H new ATOM 37 N THR A 5 51.239 -14.678 9.762 1.00 7.34 N ATOM 38 CA THR A 5 51.901 -15.525 8.775 1.00 2.31 C ATOM 39 C THR A 5 53.091 -14.798 8.158 1.00 2.00 C ATOM 40 O THR A 5 53.075 -13.577 8.008 1.00 2.00 O ATOM 41 CB THR A 5 50.912 -15.915 7.675 1.00 2.00 C ATOM 42 OG1 THR A 5 50.862 -14.885 6.698 1.00 2.35 O ATOM 43 CG2 THR A 5 49.522 -16.113 8.281 1.00 2.65 C ATOM 0 H THR A 5 50.348 -14.285 9.457 1.00 7.34 H new ATOM 0 HA THR A 5 52.259 -16.424 9.276 1.00 2.31 H new ATOM 0 HB THR A 5 51.237 -16.844 7.208 1.00 2.00 H new ATOM 0 HG1 THR A 5 51.038 -15.266 5.812 1.00 2.35 H new ATOM 0 HG21 THR A 5 48.819 -16.391 7.496 1.00 2.65 H new ATOM 0 HG22 THR A 5 49.561 -16.904 9.030 1.00 2.65 H new ATOM 0 HG23 THR A 5 49.194 -15.185 8.750 1.00 2.65 H new ATOM 51 N GLU A 6 54.122 -15.558 7.802 1.00 2.00 N ATOM 52 CA GLU A 6 55.316 -14.975 7.201 1.00 2.00 C ATOM 53 C GLU A 6 54.949 -14.147 5.974 1.00 2.00 C ATOM 54 O GLU A 6 55.457 -13.042 5.785 1.00 2.00 O ATOM 55 CB GLU A 6 56.292 -16.083 6.799 1.00 2.00 C ATOM 56 CG GLU A 6 56.695 -16.884 8.038 1.00 2.39 C ATOM 57 CD GLU A 6 55.578 -17.848 8.421 1.00 7.12 C ATOM 58 OE1 GLU A 6 55.416 -18.841 7.731 1.00 4.58 O ATOM 59 OE2 GLU A 6 54.901 -17.580 9.400 1.00 2.00 O ATOM 0 H GLU A 6 54.155 -16.571 7.918 1.00 2.00 H new ATOM 0 HA GLU A 6 55.789 -14.323 7.936 1.00 2.00 H new ATOM 0 HB2 GLU A 6 55.829 -16.740 6.063 1.00 2.00 H new ATOM 0 HB3 GLU A 6 57.176 -15.651 6.329 1.00 2.00 H new ATOM 0 HG2 GLU A 6 57.613 -17.438 7.841 1.00 2.39 H new ATOM 0 HG3 GLU A 6 56.903 -16.207 8.867 1.00 2.39 H new ATOM 66 N GLU A 7 54.063 -14.688 5.145 1.00 2.00 N ATOM 67 CA GLU A 7 53.635 -13.990 3.938 1.00 2.00 C ATOM 68 C GLU A 7 53.111 -12.599 4.281 1.00 2.00 C ATOM 69 O GLU A 7 53.289 -11.652 3.516 1.00 2.00 O ATOM 70 CB GLU A 7 52.539 -14.790 3.232 1.00 2.00 C ATOM 71 CG GLU A 7 52.790 -16.286 3.433 1.00 2.00 C ATOM 72 CD GLU A 7 52.079 -17.084 2.345 1.00 6.50 C ATOM 73 OE1 GLU A 7 51.289 -16.495 1.626 1.00 4.99 O ATOM 74 OE2 GLU A 7 52.336 -18.273 2.246 1.00 6.85 O ATOM 0 H GLU A 7 53.630 -15.601 5.285 1.00 2.00 H new ATOM 0 HA GLU A 7 54.495 -13.889 3.275 1.00 2.00 H new ATOM 0 HB2 GLU A 7 51.561 -14.518 3.630 1.00 2.00 H new ATOM 0 HB3 GLU A 7 52.528 -14.552 2.168 1.00 2.00 H new ATOM 0 HG2 GLU A 7 53.860 -16.491 3.405 1.00 2.00 H new ATOM 0 HG3 GLU A 7 52.432 -16.595 4.415 1.00 2.00 H new ATOM 81 N GLN A 8 52.464 -12.485 5.437 1.00 2.00 N ATOM 82 CA GLN A 8 51.918 -11.204 5.872 1.00 2.00 C ATOM 83 C GLN A 8 53.018 -10.322 6.453 1.00 2.00 C ATOM 84 O GLN A 8 53.074 -9.122 6.182 1.00 2.26 O ATOM 85 CB GLN A 8 50.833 -11.430 6.926 1.00 2.98 C ATOM 86 CG GLN A 8 49.490 -11.669 6.233 1.00 3.96 C ATOM 87 CD GLN A 8 49.643 -12.735 5.153 1.00 6.08 C ATOM 88 OE1 GLN A 8 50.339 -12.519 4.161 1.00 7.35 O ATOM 89 NE2 GLN A 8 49.029 -13.879 5.286 1.00 15.10 N ATOM 0 H GLN A 8 52.306 -13.257 6.085 1.00 2.00 H new ATOM 0 HA GLN A 8 51.485 -10.702 5.007 1.00 2.00 H new ATOM 0 HB2 GLN A 8 51.090 -12.286 7.550 1.00 2.98 H new ATOM 0 HB3 GLN A 8 50.765 -10.564 7.585 1.00 2.98 H new ATOM 0 HG2 GLN A 8 48.745 -11.984 6.964 1.00 3.96 H new ATOM 0 HG3 GLN A 8 49.129 -10.740 5.791 1.00 3.96 H new ATOM 0 HE21 GLN A 8 48.453 -14.056 6.109 1.00 15.10 H new ATOM 0 HE22 GLN A 8 49.125 -14.596 4.567 1.00 15.10 H new ATOM 98 N ILE A 9 53.892 -10.924 7.253 1.00 2.00 N ATOM 99 CA ILE A 9 54.987 -10.183 7.869 1.00 2.00 C ATOM 100 C ILE A 9 55.918 -9.617 6.801 1.00 3.62 C ATOM 101 O ILE A 9 56.463 -8.524 6.956 1.00 2.00 O ATOM 102 CB ILE A 9 55.777 -11.099 8.804 1.00 2.16 C ATOM 103 CG1 ILE A 9 54.899 -11.489 9.996 1.00 2.00 C ATOM 104 CG2 ILE A 9 57.020 -10.363 9.308 1.00 4.72 C ATOM 105 CD1 ILE A 9 55.624 -12.537 10.842 1.00 2.00 C ATOM 0 H ILE A 9 53.864 -11.916 7.489 1.00 2.00 H new ATOM 0 HA ILE A 9 54.565 -9.357 8.442 1.00 2.00 H new ATOM 0 HB ILE A 9 56.079 -11.997 8.264 1.00 2.16 H new ATOM 0 HG12 ILE A 9 54.676 -10.610 10.600 1.00 2.00 H new ATOM 0 HG13 ILE A 9 53.946 -11.885 9.645 1.00 2.00 H new ATOM 0 HG21 ILE A 9 57.584 -11.015 9.975 1.00 4.72 H new ATOM 0 HG22 ILE A 9 57.645 -10.082 8.460 1.00 4.72 H new ATOM 0 HG23 ILE A 9 56.718 -9.466 9.848 1.00 4.72 H new ATOM 0 HD11 ILE A 9 54.999 -12.815 11.691 1.00 2.00 H new ATOM 0 HD12 ILE A 9 55.825 -13.420 10.235 1.00 2.00 H new ATOM 0 HD13 ILE A 9 56.566 -12.124 11.204 1.00 2.00 H new ATOM 117 N ALA A 10 56.096 -10.368 5.719 1.00 5.09 N ATOM 118 CA ALA A 10 56.966 -9.929 4.634 1.00 5.63 C ATOM 119 C ALA A 10 56.426 -8.652 3.997 1.00 4.82 C ATOM 120 O ALA A 10 57.100 -7.622 3.981 1.00 4.15 O ATOM 121 CB ALA A 10 57.070 -11.026 3.573 1.00 6.68 C ATOM 0 H ALA A 10 55.654 -11.275 5.571 1.00 5.09 H new ATOM 0 HA ALA A 10 57.955 -9.726 5.045 1.00 5.63 H new ATOM 0 HB1 ALA A 10 57.721 -10.691 2.766 1.00 6.68 H new ATOM 0 HB2 ALA A 10 57.484 -11.929 4.022 1.00 6.68 H new ATOM 0 HB3 ALA A 10 56.079 -11.241 3.174 1.00 6.68 H new ATOM 127 N GLU A 11 55.207 -8.728 3.473 1.00 2.54 N ATOM 128 CA GLU A 11 54.587 -7.571 2.837 1.00 3.13 C ATOM 129 C GLU A 11 54.743 -6.330 3.710 1.00 5.12 C ATOM 130 O GLU A 11 54.816 -5.209 3.205 1.00 4.53 O ATOM 131 CB GLU A 11 53.101 -7.842 2.594 1.00 2.38 C ATOM 132 CG GLU A 11 52.937 -8.705 1.342 1.00 4.44 C ATOM 133 CD GLU A 11 51.529 -9.290 1.292 1.00 7.86 C ATOM 134 OE1 GLU A 11 51.061 -9.744 2.323 1.00 9.34 O ATOM 135 OE2 GLU A 11 50.940 -9.275 0.224 1.00 18.49 O ATOM 0 H GLU A 11 54.633 -9.571 3.476 1.00 2.54 H new ATOM 0 HA GLU A 11 55.085 -7.395 1.884 1.00 3.13 H new ATOM 0 HB2 GLU A 11 52.667 -8.348 3.457 1.00 2.38 H new ATOM 0 HB3 GLU A 11 52.564 -6.901 2.473 1.00 2.38 H new ATOM 0 HG2 GLU A 11 53.123 -8.106 0.451 1.00 4.44 H new ATOM 0 HG3 GLU A 11 53.674 -9.508 1.345 1.00 4.44 H new ATOM 142 N PHE A 12 54.792 -6.537 5.022 1.00 3.94 N ATOM 143 CA PHE A 12 54.939 -5.426 5.955 1.00 5.41 C ATOM 144 C PHE A 12 56.341 -4.831 5.865 1.00 3.84 C ATOM 145 O PHE A 12 56.507 -3.612 5.836 1.00 4.14 O ATOM 146 CB PHE A 12 54.677 -5.906 7.383 1.00 4.97 C ATOM 147 CG PHE A 12 53.221 -5.698 7.726 1.00 7.97 C ATOM 148 CD1 PHE A 12 52.664 -4.414 7.665 1.00 13.16 C ATOM 149 CD2 PHE A 12 52.428 -6.787 8.105 1.00 11.29 C ATOM 150 CE1 PHE A 12 51.315 -4.221 7.982 1.00 14.89 C ATOM 151 CE2 PHE A 12 51.078 -6.594 8.422 1.00 13.52 C ATOM 152 CZ PHE A 12 50.522 -5.311 8.361 1.00 12.41 C ATOM 0 H PHE A 12 54.733 -7.456 5.460 1.00 3.94 H new ATOM 0 HA PHE A 12 54.213 -4.657 5.691 1.00 5.41 H new ATOM 0 HB2 PHE A 12 54.936 -6.961 7.477 1.00 4.97 H new ATOM 0 HB3 PHE A 12 55.308 -5.359 8.083 1.00 4.97 H new ATOM 0 HD1 PHE A 12 53.276 -3.573 7.373 1.00 13.16 H new ATOM 0 HD2 PHE A 12 52.858 -7.777 8.153 1.00 11.29 H new ATOM 0 HE1 PHE A 12 50.885 -3.231 7.934 1.00 14.89 H new ATOM 0 HE2 PHE A 12 50.466 -7.435 8.713 1.00 13.52 H new ATOM 0 HZ PHE A 12 49.481 -5.162 8.606 1.00 12.41 H new ATOM 162 N LYS A 13 57.346 -5.700 5.822 1.00 4.24 N ATOM 163 CA LYS A 13 58.729 -5.248 5.736 1.00 5.23 C ATOM 164 C LYS A 13 58.875 -4.170 4.667 1.00 4.55 C ATOM 165 O LYS A 13 59.648 -3.224 4.826 1.00 2.18 O ATOM 166 CB LYS A 13 59.645 -6.427 5.402 1.00 7.96 C ATOM 167 CG LYS A 13 60.378 -6.879 6.667 1.00 10.74 C ATOM 168 CD LYS A 13 61.097 -8.202 6.395 1.00 12.48 C ATOM 169 CE LYS A 13 62.592 -7.939 6.201 1.00 16.63 C ATOM 170 NZ LYS A 13 63.195 -9.055 5.417 1.00 18.39 N ATOM 0 H LYS A 13 57.230 -6.713 5.845 1.00 4.24 H new ATOM 0 HA LYS A 13 59.014 -4.829 6.701 1.00 5.23 H new ATOM 0 HB2 LYS A 13 59.060 -7.251 4.994 1.00 7.96 H new ATOM 0 HB3 LYS A 13 60.364 -6.137 4.636 1.00 7.96 H new ATOM 0 HG2 LYS A 13 61.096 -6.119 6.975 1.00 10.74 H new ATOM 0 HG3 LYS A 13 59.670 -6.999 7.487 1.00 10.74 H new ATOM 0 HD2 LYS A 13 60.943 -8.890 7.226 1.00 12.48 H new ATOM 0 HD3 LYS A 13 60.682 -8.678 5.506 1.00 12.48 H new ATOM 0 HE2 LYS A 13 62.741 -6.993 5.681 1.00 16.63 H new ATOM 0 HE3 LYS A 13 63.086 -7.852 7.169 1.00 16.63 H new ATOM 0 HZ1 LYS A 13 64.211 -8.877 5.285 1.00 18.39 H new ATOM 0 HZ2 LYS A 13 63.064 -9.950 5.930 1.00 18.39 H new ATOM 0 HZ3 LYS A 13 62.731 -9.117 4.488 1.00 18.39 H new ATOM 184 N GLU A 14 58.128 -4.318 3.578 1.00 5.40 N ATOM 185 CA GLU A 14 58.183 -3.350 2.489 1.00 5.67 C ATOM 186 C GLU A 14 57.616 -2.007 2.938 1.00 6.21 C ATOM 187 O GLU A 14 58.128 -0.951 2.566 1.00 5.40 O ATOM 188 CB GLU A 14 57.387 -3.867 1.289 1.00 7.02 C ATOM 189 CG GLU A 14 57.651 -2.971 0.077 1.00 9.36 C ATOM 190 CD GLU A 14 56.827 -3.450 -1.114 1.00 16.81 C ATOM 191 OE1 GLU A 14 56.729 -4.652 -1.296 1.00 18.47 O ATOM 192 OE2 GLU A 14 56.307 -2.608 -1.827 1.00 22.76 O ATOM 0 H GLU A 14 57.482 -5.093 3.426 1.00 5.40 H new ATOM 0 HA GLU A 14 59.225 -3.214 2.201 1.00 5.67 H new ATOM 0 HB2 GLU A 14 57.674 -4.894 1.064 1.00 7.02 H new ATOM 0 HB3 GLU A 14 56.322 -3.877 1.522 1.00 7.02 H new ATOM 0 HG2 GLU A 14 57.396 -1.938 0.315 1.00 9.36 H new ATOM 0 HG3 GLU A 14 58.712 -2.987 -0.174 1.00 9.36 H new ATOM 199 N ALA A 15 56.557 -2.055 3.739 1.00 5.16 N ATOM 200 CA ALA A 15 55.929 -0.835 4.233 1.00 5.07 C ATOM 201 C ALA A 15 56.953 0.045 4.943 1.00 5.10 C ATOM 202 O ALA A 15 57.166 1.196 4.562 1.00 5.67 O ATOM 203 CB ALA A 15 54.797 -1.186 5.200 1.00 5.43 C ATOM 0 H ALA A 15 56.118 -2.919 4.058 1.00 5.16 H new ATOM 0 HA ALA A 15 55.524 -0.287 3.383 1.00 5.07 H new ATOM 0 HB1 ALA A 15 54.333 -0.270 5.565 1.00 5.43 H new ATOM 0 HB2 ALA A 15 54.051 -1.790 4.683 1.00 5.43 H new ATOM 0 HB3 ALA A 15 55.199 -1.749 6.042 1.00 5.43 H new ATOM 209 N PHE A 16 57.584 -0.505 5.975 1.00 4.72 N ATOM 210 CA PHE A 16 58.585 0.240 6.730 1.00 6.21 C ATOM 211 C PHE A 16 59.535 0.968 5.785 1.00 7.11 C ATOM 212 O PHE A 16 59.684 2.188 5.857 1.00 4.60 O ATOM 213 CB PHE A 16 59.381 -0.713 7.624 1.00 6.80 C ATOM 214 CG PHE A 16 59.702 -0.029 8.931 1.00 5.05 C ATOM 215 CD1 PHE A 16 58.830 -0.153 10.019 1.00 6.58 C ATOM 216 CD2 PHE A 16 60.872 0.730 9.054 1.00 10.31 C ATOM 217 CE1 PHE A 16 59.129 0.481 11.231 1.00 4.50 C ATOM 218 CE2 PHE A 16 61.170 1.365 10.266 1.00 10.06 C ATOM 219 CZ PHE A 16 60.299 1.240 11.354 1.00 13.28 C ATOM 0 H PHE A 16 57.422 -1.456 6.306 1.00 4.72 H new ATOM 0 HA PHE A 16 58.073 0.976 7.350 1.00 6.21 H new ATOM 0 HB2 PHE A 16 58.806 -1.621 7.808 1.00 6.80 H new ATOM 0 HB3 PHE A 16 60.301 -1.014 7.124 1.00 6.80 H new ATOM 0 HD1 PHE A 16 57.927 -0.738 9.924 1.00 6.58 H new ATOM 0 HD2 PHE A 16 61.545 0.826 8.214 1.00 10.31 H new ATOM 0 HE1 PHE A 16 58.457 0.385 12.071 1.00 4.50 H new ATOM 0 HE2 PHE A 16 62.072 1.951 10.361 1.00 10.06 H new ATOM 0 HZ PHE A 16 60.529 1.729 12.289 1.00 13.28 H new ATOM 229 N SER A 17 60.174 0.212 4.899 1.00 6.98 N ATOM 230 CA SER A 17 61.107 0.796 3.942 1.00 7.97 C ATOM 231 C SER A 17 60.490 2.017 3.270 1.00 7.13 C ATOM 232 O SER A 17 61.200 2.874 2.744 1.00 8.83 O ATOM 233 CB SER A 17 61.482 -0.238 2.880 1.00 10.21 C ATOM 234 OG SER A 17 61.131 -1.536 3.344 1.00 12.16 O ATOM 0 H SER A 17 60.064 -0.799 4.823 1.00 6.98 H new ATOM 0 HA SER A 17 62.003 1.105 4.480 1.00 7.97 H new ATOM 0 HB2 SER A 17 60.964 -0.021 1.946 1.00 10.21 H new ATOM 0 HB3 SER A 17 62.551 -0.191 2.671 1.00 10.21 H new ATOM 0 HG SER A 17 61.368 -2.201 2.665 1.00 12.16 H new ATOM 240 N LEU A 18 59.163 2.090 3.292 1.00 7.48 N ATOM 241 CA LEU A 18 58.460 3.212 2.681 1.00 9.00 C ATOM 242 C LEU A 18 58.514 4.437 3.589 1.00 7.93 C ATOM 243 O LEU A 18 58.650 5.565 3.116 1.00 6.26 O ATOM 244 CB LEU A 18 57.001 2.834 2.418 1.00 10.08 C ATOM 245 CG LEU A 18 56.402 3.793 1.388 1.00 14.78 C ATOM 246 CD1 LEU A 18 56.907 3.425 -0.009 1.00 17.89 C ATOM 247 CD2 LEU A 18 54.875 3.688 1.422 1.00 15.78 C ATOM 0 H LEU A 18 58.557 1.392 3.723 1.00 7.48 H new ATOM 0 HA LEU A 18 58.949 3.452 1.737 1.00 9.00 H new ATOM 0 HB2 LEU A 18 56.940 1.808 2.054 1.00 10.08 H new ATOM 0 HB3 LEU A 18 56.430 2.877 3.346 1.00 10.08 H new ATOM 0 HG LEU A 18 56.703 4.814 1.625 1.00 14.78 H new ATOM 0 HD11 LEU A 18 56.480 4.109 -0.742 1.00 17.89 H new ATOM 0 HD12 LEU A 18 57.994 3.499 -0.034 1.00 17.89 H new ATOM 0 HD13 LEU A 18 56.607 2.404 -0.247 1.00 17.89 H new ATOM 0 HD21 LEU A 18 54.447 4.371 0.688 1.00 15.78 H new ATOM 0 HD22 LEU A 18 54.575 2.667 1.186 1.00 15.78 H new ATOM 0 HD23 LEU A 18 54.514 3.951 2.416 1.00 15.78 H new ATOM 259 N PHE A 19 58.409 4.207 4.894 1.00 6.61 N ATOM 260 CA PHE A 19 58.448 5.301 5.857 1.00 3.44 C ATOM 261 C PHE A 19 59.881 5.572 6.304 1.00 5.51 C ATOM 262 O PHE A 19 60.344 6.712 6.281 1.00 6.11 O ATOM 263 CB PHE A 19 57.589 4.956 7.075 1.00 4.01 C ATOM 264 CG PHE A 19 56.150 5.321 6.797 1.00 2.30 C ATOM 265 CD1 PHE A 19 55.642 6.549 7.237 1.00 6.71 C ATOM 266 CD2 PHE A 19 55.324 4.431 6.100 1.00 9.14 C ATOM 267 CE1 PHE A 19 54.308 6.887 6.979 1.00 6.83 C ATOM 268 CE2 PHE A 19 53.990 4.769 5.842 1.00 7.38 C ATOM 269 CZ PHE A 19 53.482 5.997 6.282 1.00 6.43 C ATOM 0 H PHE A 19 58.297 3.281 5.306 1.00 6.61 H new ATOM 0 HA PHE A 19 58.054 6.196 5.376 1.00 3.44 H new ATOM 0 HB2 PHE A 19 57.668 3.892 7.300 1.00 4.01 H new ATOM 0 HB3 PHE A 19 57.949 5.495 7.951 1.00 4.01 H new ATOM 0 HD1 PHE A 19 56.279 7.235 7.775 1.00 6.71 H new ATOM 0 HD2 PHE A 19 55.716 3.483 5.761 1.00 9.14 H new ATOM 0 HE1 PHE A 19 53.916 7.835 7.318 1.00 6.83 H new ATOM 0 HE2 PHE A 19 53.353 4.083 5.304 1.00 7.38 H new ATOM 0 HZ PHE A 19 52.453 6.258 6.084 1.00 6.43 H new ATOM 279 N ASP A 20 60.579 4.516 6.710 1.00 4.53 N ATOM 280 CA ASP A 20 61.960 4.653 7.161 1.00 5.06 C ATOM 281 C ASP A 20 62.915 4.648 5.972 1.00 5.41 C ATOM 282 O ASP A 20 63.533 3.629 5.664 1.00 7.47 O ATOM 283 CB ASP A 20 62.316 3.506 8.108 1.00 3.50 C ATOM 284 CG ASP A 20 63.437 3.936 9.049 1.00 5.29 C ATOM 285 OD1 ASP A 20 64.476 3.297 9.031 1.00 4.70 O ATOM 286 OD2 ASP A 20 63.240 4.897 9.773 1.00 4.96 O ATOM 0 H ASP A 20 60.215 3.563 6.736 1.00 4.53 H new ATOM 0 HA ASP A 20 62.058 5.602 7.687 1.00 5.06 H new ATOM 0 HB2 ASP A 20 61.438 3.213 8.684 1.00 3.50 H new ATOM 0 HB3 ASP A 20 62.626 2.633 7.534 1.00 3.50 H new ATOM 291 N LYS A 21 63.028 5.793 5.306 1.00 8.35 N ATOM 292 CA LYS A 21 63.910 5.909 4.151 1.00 9.30 C ATOM 293 C LYS A 21 65.365 6.030 4.595 1.00 10.49 C ATOM 294 O LYS A 21 66.284 5.784 3.814 1.00 12.20 O ATOM 295 CB LYS A 21 63.524 7.135 3.321 1.00 10.83 C ATOM 296 CG LYS A 21 63.406 8.355 4.236 1.00 18.65 C ATOM 297 CD LYS A 21 63.595 9.631 3.414 1.00 23.74 C ATOM 298 CE LYS A 21 65.088 9.947 3.299 1.00 21.90 C ATOM 299 NZ LYS A 21 65.520 10.739 4.485 1.00 27.75 N ATOM 0 H LYS A 21 62.524 6.647 5.544 1.00 8.35 H new ATOM 0 HA LYS A 21 63.802 5.010 3.544 1.00 9.30 H new ATOM 0 HB2 LYS A 21 64.273 7.316 2.551 1.00 10.83 H new ATOM 0 HB3 LYS A 21 62.578 6.958 2.810 1.00 10.83 H new ATOM 0 HG2 LYS A 21 62.431 8.365 4.723 1.00 18.65 H new ATOM 0 HG3 LYS A 21 64.156 8.304 5.026 1.00 18.65 H new ATOM 0 HD2 LYS A 21 63.162 9.505 2.422 1.00 23.74 H new ATOM 0 HD3 LYS A 21 63.072 10.462 3.887 1.00 23.74 H new ATOM 0 HE2 LYS A 21 65.663 9.023 3.236 1.00 21.90 H new ATOM 0 HE3 LYS A 21 65.283 10.506 2.384 1.00 21.90 H new ATOM 0 HZ1 LYS A 21 66.535 10.954 4.408 1.00 27.75 H new ATOM 0 HZ2 LYS A 21 64.980 11.627 4.525 1.00 27.75 H new ATOM 0 HZ3 LYS A 21 65.348 10.189 5.351 1.00 27.75 H new ATOM 313 N ASP A 22 65.566 6.413 5.852 1.00 10.35 N ATOM 314 CA ASP A 22 66.915 6.565 6.385 1.00 9.98 C ATOM 315 C ASP A 22 67.484 5.213 6.803 1.00 10.21 C ATOM 316 O ASP A 22 68.689 5.075 7.013 1.00 10.63 O ATOM 317 CB ASP A 22 66.896 7.507 7.591 1.00 11.16 C ATOM 318 CG ASP A 22 65.704 7.185 8.485 1.00 11.39 C ATOM 319 OD1 ASP A 22 65.035 8.115 8.904 1.00 8.03 O ATOM 320 OD2 ASP A 22 65.478 6.013 8.738 1.00 14.13 O ATOM 0 H ASP A 22 64.820 6.622 6.515 1.00 10.35 H new ATOM 0 HA ASP A 22 67.548 6.986 5.604 1.00 9.98 H new ATOM 0 HB2 ASP A 22 67.823 7.406 8.156 1.00 11.16 H new ATOM 0 HB3 ASP A 22 66.839 8.542 7.254 1.00 11.16 H new ATOM 325 N GLY A 23 66.611 4.218 6.923 1.00 8.93 N ATOM 326 CA GLY A 23 67.041 2.882 7.317 1.00 9.95 C ATOM 327 C GLY A 23 67.688 2.902 8.698 1.00 11.51 C ATOM 328 O GLY A 23 68.692 2.230 8.933 1.00 10.61 O ATOM 0 H GLY A 23 65.609 4.310 6.754 1.00 8.93 H new ATOM 0 HA2 GLY A 23 66.185 2.207 7.322 1.00 9.95 H new ATOM 0 HA3 GLY A 23 67.749 2.493 6.585 1.00 9.95 H new ATOM 332 N ASP A 24 67.107 3.678 9.606 1.00 11.42 N ATOM 333 CA ASP A 24 67.636 3.779 10.962 1.00 12.12 C ATOM 334 C ASP A 24 67.068 2.672 11.844 1.00 11.09 C ATOM 335 O ASP A 24 67.695 2.261 12.821 1.00 11.16 O ATOM 336 CB ASP A 24 67.282 5.143 11.559 1.00 12.48 C ATOM 337 CG ASP A 24 67.271 5.060 13.081 1.00 11.83 C ATOM 338 OD1 ASP A 24 66.439 5.718 13.685 1.00 10.91 O ATOM 339 OD2 ASP A 24 68.094 4.340 13.622 1.00 14.28 O ATOM 0 H ASP A 24 66.276 4.243 9.430 1.00 11.42 H new ATOM 0 HA ASP A 24 68.720 3.671 10.918 1.00 12.12 H new ATOM 0 HB2 ASP A 24 68.005 5.890 11.233 1.00 12.48 H new ATOM 0 HB3 ASP A 24 66.305 5.465 11.197 1.00 12.48 H new ATOM 344 N GLY A 25 65.879 2.193 11.495 1.00 9.38 N ATOM 345 CA GLY A 25 65.236 1.133 12.263 1.00 9.47 C ATOM 346 C GLY A 25 64.094 1.689 13.107 1.00 7.97 C ATOM 347 O GLY A 25 63.380 0.939 13.773 1.00 6.95 O ATOM 0 H GLY A 25 65.344 2.519 10.690 1.00 9.38 H new ATOM 0 HA2 GLY A 25 64.855 0.368 11.586 1.00 9.47 H new ATOM 0 HA3 GLY A 25 65.969 0.650 12.909 1.00 9.47 H new ATOM 351 N THR A 26 63.928 3.007 13.074 1.00 7.17 N ATOM 352 CA THR A 26 62.868 3.652 13.840 1.00 8.21 C ATOM 353 C THR A 26 62.333 4.870 13.093 1.00 8.10 C ATOM 354 O THR A 26 63.090 5.599 12.452 1.00 7.63 O ATOM 355 CB THR A 26 63.400 4.083 15.208 1.00 11.49 C ATOM 356 OG1 THR A 26 64.041 5.346 15.088 1.00 16.41 O ATOM 357 CG2 THR A 26 64.402 3.047 15.718 1.00 11.35 C ATOM 0 H THR A 26 64.509 3.645 12.530 1.00 7.17 H new ATOM 0 HA THR A 26 62.056 2.937 13.975 1.00 8.21 H new ATOM 0 HB THR A 26 62.572 4.160 15.912 1.00 11.49 H new ATOM 0 HG1 THR A 26 64.861 5.248 14.560 1.00 16.41 H new ATOM 0 HG21 THR A 26 64.780 3.356 16.693 1.00 11.35 H new ATOM 0 HG22 THR A 26 63.910 2.079 15.810 1.00 11.35 H new ATOM 0 HG23 THR A 26 65.232 2.967 15.016 1.00 11.35 H new ATOM 365 N ILE A 27 61.024 5.083 13.180 1.00 6.76 N ATOM 366 CA ILE A 27 60.399 6.216 12.508 1.00 3.01 C ATOM 367 C ILE A 27 60.045 7.308 13.513 1.00 4.61 C ATOM 368 O ILE A 27 59.424 7.041 14.542 1.00 4.59 O ATOM 369 CB ILE A 27 59.132 5.760 11.782 1.00 4.15 C ATOM 370 CG1 ILE A 27 59.470 4.587 10.859 1.00 8.03 C ATOM 371 CG2 ILE A 27 58.574 6.916 10.951 1.00 6.87 C ATOM 372 CD1 ILE A 27 58.185 3.844 10.486 1.00 5.23 C ATOM 0 H ILE A 27 60.380 4.491 13.705 1.00 6.76 H new ATOM 0 HA ILE A 27 61.107 6.619 11.784 1.00 3.01 H new ATOM 0 HB ILE A 27 58.387 5.447 12.514 1.00 4.15 H new ATOM 0 HG12 ILE A 27 59.967 4.950 9.959 1.00 8.03 H new ATOM 0 HG13 ILE A 27 60.164 3.908 11.355 1.00 8.03 H new ATOM 0 HG21 ILE A 27 57.671 6.590 10.434 1.00 6.87 H new ATOM 0 HG22 ILE A 27 58.334 7.753 11.607 1.00 6.87 H new ATOM 0 HG23 ILE A 27 59.318 7.230 10.219 1.00 6.87 H new ATOM 0 HD11 ILE A 27 58.426 3.009 9.829 1.00 5.23 H new ATOM 0 HD12 ILE A 27 57.707 3.468 11.390 1.00 5.23 H new ATOM 0 HD13 ILE A 27 57.506 4.526 9.973 1.00 5.23 H new ATOM 384 N THR A 28 60.445 8.538 13.208 1.00 5.54 N ATOM 385 CA THR A 28 60.166 9.664 14.092 1.00 5.59 C ATOM 386 C THR A 28 58.954 10.447 13.596 1.00 4.18 C ATOM 387 O THR A 28 58.407 10.154 12.533 1.00 3.04 O ATOM 388 CB THR A 28 61.382 10.590 14.159 1.00 7.09 C ATOM 389 OG1 THR A 28 61.710 11.033 12.850 1.00 7.62 O ATOM 390 CG2 THR A 28 62.569 9.834 14.757 1.00 7.80 C ATOM 0 H THR A 28 60.960 8.780 12.361 1.00 5.54 H new ATOM 0 HA THR A 28 59.951 9.275 15.087 1.00 5.59 H new ATOM 0 HB THR A 28 61.150 11.451 14.786 1.00 7.09 H new ATOM 0 HG1 THR A 28 62.637 11.349 12.835 1.00 7.62 H new ATOM 0 HG21 THR A 28 63.435 10.495 14.804 1.00 7.80 H new ATOM 0 HG22 THR A 28 62.316 9.495 15.762 1.00 7.80 H new ATOM 0 HG23 THR A 28 62.804 8.972 14.132 1.00 7.80 H new ATOM 398 N THR A 29 58.540 11.442 14.373 1.00 6.48 N ATOM 399 CA THR A 29 57.391 12.261 14.002 1.00 6.08 C ATOM 400 C THR A 29 57.777 13.271 12.926 1.00 6.97 C ATOM 401 O THR A 29 57.065 13.441 11.937 1.00 10.04 O ATOM 402 CB THR A 29 56.857 13.000 15.231 1.00 8.08 C ATOM 403 OG1 THR A 29 56.760 12.094 16.321 1.00 8.72 O ATOM 404 CG2 THR A 29 55.476 13.579 14.921 1.00 6.60 C ATOM 0 H THR A 29 58.979 11.700 15.257 1.00 6.48 H new ATOM 0 HA THR A 29 56.615 11.606 13.607 1.00 6.08 H new ATOM 0 HB THR A 29 57.537 13.811 15.492 1.00 8.08 H new ATOM 0 HG1 THR A 29 56.420 12.566 17.110 1.00 8.72 H new ATOM 0 HG21 THR A 29 55.097 14.105 15.797 1.00 6.60 H new ATOM 0 HG22 THR A 29 55.552 14.274 14.085 1.00 6.60 H new ATOM 0 HG23 THR A 29 54.793 12.771 14.659 1.00 6.60 H new ATOM 412 N LYS A 30 58.908 13.938 13.127 1.00 6.44 N ATOM 413 CA LYS A 30 59.379 14.931 12.168 1.00 5.32 C ATOM 414 C LYS A 30 59.471 14.325 10.771 1.00 5.11 C ATOM 415 O LYS A 30 59.288 15.018 9.770 1.00 2.00 O ATOM 416 CB LYS A 30 60.753 15.455 12.590 1.00 6.94 C ATOM 417 CG LYS A 30 61.060 16.749 11.834 1.00 11.76 C ATOM 418 CD LYS A 30 60.430 17.933 12.571 1.00 16.32 C ATOM 419 CE LYS A 30 60.764 19.230 11.834 1.00 16.38 C ATOM 420 NZ LYS A 30 60.464 19.069 10.383 1.00 12.63 N ATOM 0 H LYS A 30 59.512 13.811 13.939 1.00 6.44 H new ATOM 0 HA LYS A 30 58.666 15.756 12.148 1.00 5.32 H new ATOM 0 HB2 LYS A 30 60.770 15.636 13.665 1.00 6.94 H new ATOM 0 HB3 LYS A 30 61.519 14.708 12.380 1.00 6.94 H new ATOM 0 HG2 LYS A 30 62.138 16.889 11.754 1.00 11.76 H new ATOM 0 HG3 LYS A 30 60.670 16.690 10.818 1.00 11.76 H new ATOM 0 HD2 LYS A 30 59.349 17.804 12.631 1.00 16.32 H new ATOM 0 HD3 LYS A 30 60.803 17.978 13.594 1.00 16.32 H new ATOM 0 HE2 LYS A 30 60.184 20.055 12.247 1.00 16.38 H new ATOM 0 HE3 LYS A 30 61.816 19.479 11.973 1.00 16.38 H new ATOM 0 HZ1 LYS A 30 60.378 20.006 9.940 1.00 12.63 H new ATOM 0 HZ2 LYS A 30 61.234 18.540 9.926 1.00 12.63 H new ATOM 0 HZ3 LYS A 30 59.571 18.549 10.269 1.00 12.63 H new ATOM 434 N GLU A 31 59.754 13.028 10.711 1.00 2.00 N ATOM 435 CA GLU A 31 59.867 12.339 9.430 1.00 2.98 C ATOM 436 C GLU A 31 58.496 11.881 8.946 1.00 4.00 C ATOM 437 O GLU A 31 58.233 11.838 7.744 1.00 4.67 O ATOM 438 CB GLU A 31 60.793 11.129 9.567 1.00 2.67 C ATOM 439 CG GLU A 31 62.187 11.598 9.990 1.00 3.70 C ATOM 440 CD GLU A 31 63.100 10.394 10.200 1.00 3.21 C ATOM 441 OE1 GLU A 31 63.931 10.454 11.091 1.00 5.59 O ATOM 442 OE2 GLU A 31 62.955 9.431 9.466 1.00 4.09 O ATOM 0 H GLU A 31 59.908 12.436 11.527 1.00 2.00 H new ATOM 0 HA GLU A 31 60.284 13.034 8.701 1.00 2.98 H new ATOM 0 HB2 GLU A 31 60.393 10.433 10.304 1.00 2.67 H new ATOM 0 HB3 GLU A 31 60.850 10.592 8.620 1.00 2.67 H new ATOM 0 HG2 GLU A 31 62.606 12.254 9.227 1.00 3.70 H new ATOM 0 HG3 GLU A 31 62.121 12.180 10.909 1.00 3.70 H new ATOM 449 N LEU A 32 57.625 11.538 9.890 1.00 5.61 N ATOM 450 CA LEU A 32 56.283 11.083 9.549 1.00 5.49 C ATOM 451 C LEU A 32 55.485 12.207 8.896 1.00 6.12 C ATOM 452 O LEU A 32 55.035 12.082 7.757 1.00 5.57 O ATOM 453 CB LEU A 32 55.559 10.605 10.809 1.00 5.85 C ATOM 454 CG LEU A 32 54.693 9.390 10.470 1.00 7.72 C ATOM 455 CD1 LEU A 32 54.097 8.814 11.755 1.00 6.45 C ATOM 456 CD2 LEU A 32 53.563 9.817 9.531 1.00 7.63 C ATOM 0 H LEU A 32 57.823 11.566 10.890 1.00 5.61 H new ATOM 0 HA LEU A 32 56.368 10.257 8.843 1.00 5.49 H new ATOM 0 HB2 LEU A 32 56.283 10.345 11.581 1.00 5.85 H new ATOM 0 HB3 LEU A 32 54.939 11.406 11.211 1.00 5.85 H new ATOM 0 HG LEU A 32 55.305 8.632 9.982 1.00 7.72 H new ATOM 0 HD11 LEU A 32 53.480 7.948 11.514 1.00 6.45 H new ATOM 0 HD12 LEU A 32 54.901 8.511 12.425 1.00 6.45 H new ATOM 0 HD13 LEU A 32 53.484 9.572 12.243 1.00 6.45 H new ATOM 0 HD21 LEU A 32 52.945 8.952 9.289 1.00 7.63 H new ATOM 0 HD22 LEU A 32 52.951 10.575 10.020 1.00 7.63 H new ATOM 0 HD23 LEU A 32 53.987 10.228 8.615 1.00 7.63 H new ATOM 468 N GLY A 33 55.313 13.304 9.626 1.00 6.93 N ATOM 469 CA GLY A 33 54.567 14.445 9.107 1.00 4.91 C ATOM 470 C GLY A 33 55.070 14.843 7.724 1.00 6.07 C ATOM 471 O GLY A 33 54.291 14.955 6.778 1.00 6.12 O ATOM 0 H GLY A 33 55.677 13.427 10.571 1.00 6.93 H new ATOM 0 HA2 GLY A 33 53.507 14.198 9.055 1.00 4.91 H new ATOM 0 HA3 GLY A 33 54.664 15.289 9.790 1.00 4.91 H new ATOM 475 N THR A 34 56.377 15.055 7.614 1.00 6.25 N ATOM 476 CA THR A 34 56.975 15.440 6.340 1.00 6.89 C ATOM 477 C THR A 34 56.414 14.589 5.205 1.00 5.87 C ATOM 478 O THR A 34 56.221 15.073 4.090 1.00 4.67 O ATOM 479 CB THR A 34 58.494 15.272 6.404 1.00 7.13 C ATOM 480 OG1 THR A 34 59.040 16.246 7.282 1.00 8.73 O ATOM 481 CG2 THR A 34 59.089 15.450 5.006 1.00 9.63 C ATOM 0 H THR A 34 57.039 14.968 8.385 1.00 6.25 H new ATOM 0 HA THR A 34 56.733 16.485 6.148 1.00 6.89 H new ATOM 0 HB THR A 34 58.734 14.275 6.773 1.00 7.13 H new ATOM 0 HG1 THR A 34 59.160 15.854 8.172 1.00 8.73 H new ATOM 0 HG21 THR A 34 60.171 15.330 5.053 1.00 9.63 H new ATOM 0 HG22 THR A 34 58.670 14.701 4.334 1.00 9.63 H new ATOM 0 HG23 THR A 34 58.850 16.446 4.633 1.00 9.63 H new ATOM 489 N VAL A 35 56.155 13.318 5.497 1.00 4.87 N ATOM 490 CA VAL A 35 55.617 12.409 4.492 1.00 5.50 C ATOM 491 C VAL A 35 54.179 12.782 4.145 1.00 6.36 C ATOM 492 O VAL A 35 53.792 12.781 2.976 1.00 6.78 O ATOM 493 CB VAL A 35 55.662 10.971 5.011 1.00 7.07 C ATOM 494 CG1 VAL A 35 55.136 10.022 3.932 1.00 6.42 C ATOM 495 CG2 VAL A 35 57.106 10.600 5.355 1.00 4.61 C ATOM 0 H VAL A 35 56.308 12.897 6.414 1.00 4.87 H new ATOM 0 HA VAL A 35 56.228 12.490 3.593 1.00 5.50 H new ATOM 0 HB VAL A 35 55.041 10.887 5.903 1.00 7.07 H new ATOM 0 HG11 VAL A 35 55.168 8.997 4.302 1.00 6.42 H new ATOM 0 HG12 VAL A 35 54.108 10.287 3.685 1.00 6.42 H new ATOM 0 HG13 VAL A 35 55.757 10.105 3.040 1.00 6.42 H new ATOM 0 HG21 VAL A 35 57.140 9.575 5.725 1.00 4.61 H new ATOM 0 HG22 VAL A 35 57.726 10.684 4.462 1.00 4.61 H new ATOM 0 HG23 VAL A 35 57.482 11.276 6.123 1.00 4.61 H new ATOM 505 N MET A 36 53.392 13.100 5.168 0.50 5.82 N ATOM 506 CA MET A 36 51.998 13.474 4.958 0.50 6.35 C ATOM 507 C MET A 36 51.905 14.857 4.320 0.50 5.77 C ATOM 508 O MET A 36 51.268 15.030 3.281 0.50 6.52 O ATOM 509 CB MET A 36 51.251 13.473 6.296 0.50 6.47 C ATOM 510 CG MET A 36 50.112 12.452 6.249 0.50 7.91 C ATOM 511 SD MET A 36 50.791 10.782 6.418 0.50 9.11 S ATOM 512 CE MET A 36 49.623 10.187 7.666 0.50 10.12 C ATOM 0 H MET A 36 53.692 13.106 6.143 0.50 5.82 H new ATOM 0 HA MET A 36 51.542 12.746 4.287 0.50 6.35 H new ATOM 0 HB2 MET A 36 51.938 13.229 7.107 0.50 6.47 H new ATOM 0 HB3 MET A 36 50.853 14.467 6.503 0.50 6.47 H new ATOM 0 HG2 MET A 36 49.399 12.649 7.050 0.50 7.91 H new ATOM 0 HG3 MET A 36 49.568 12.541 5.309 0.50 7.91 H new ATOM 0 HE1 MET A 36 49.861 9.155 7.924 0.50 10.12 H new ATOM 0 HE2 MET A 36 49.695 10.810 8.558 0.50 10.12 H new ATOM 0 HE3 MET A 36 48.609 10.238 7.269 0.50 10.12 H new ATOM 522 N ARG A 37 52.544 15.837 4.950 1.00 5.54 N ATOM 523 CA ARG A 37 52.526 17.202 4.435 1.00 5.23 C ATOM 524 C ARG A 37 52.848 17.216 2.944 1.00 5.57 C ATOM 525 O ARG A 37 52.385 18.088 2.208 1.00 5.64 O ATOM 526 CB ARG A 37 53.547 18.057 5.188 1.00 5.44 C ATOM 527 CG ARG A 37 53.314 19.534 4.864 1.00 9.87 C ATOM 528 CD ARG A 37 54.201 20.400 5.760 1.00 7.40 C ATOM 529 NE ARG A 37 55.340 19.626 6.241 1.00 5.71 N ATOM 530 CZ ARG A 37 55.954 19.941 7.377 1.00 5.49 C ATOM 531 NH1 ARG A 37 56.971 19.234 7.787 1.00 4.77 N ATOM 532 NH2 ARG A 37 55.541 20.959 8.082 1.00 5.93 N ATOM 0 H ARG A 37 53.077 15.714 5.811 1.00 5.54 H new ATOM 0 HA ARG A 37 51.528 17.614 4.583 1.00 5.23 H new ATOM 0 HB2 ARG A 37 53.456 17.890 6.261 1.00 5.44 H new ATOM 0 HB3 ARG A 37 54.559 17.767 4.905 1.00 5.44 H new ATOM 0 HG2 ARG A 37 53.540 19.727 3.815 1.00 9.87 H new ATOM 0 HG3 ARG A 37 52.265 19.790 5.017 1.00 9.87 H new ATOM 0 HD2 ARG A 37 54.552 21.270 5.205 1.00 7.40 H new ATOM 0 HD3 ARG A 37 53.623 20.773 6.605 1.00 7.40 H new ATOM 0 HE ARG A 37 55.671 18.830 5.696 1.00 5.71 H new ATOM 0 HH11 ARG A 37 57.295 18.439 7.236 1.00 4.77 H new ATOM 0 HH12 ARG A 37 57.442 19.476 8.659 1.00 4.77 H new ATOM 0 HH21 ARG A 37 54.747 21.513 7.761 1.00 5.93 H new ATOM 0 HH22 ARG A 37 56.012 21.200 8.954 1.00 5.93 H new ATOM 546 N SER A 38 53.643 16.246 2.506 1.00 5.82 N ATOM 547 CA SER A 38 54.020 16.158 1.099 1.00 6.44 C ATOM 548 C SER A 38 52.949 15.418 0.303 1.00 7.83 C ATOM 549 O SER A 38 52.881 15.534 -0.920 1.00 7.95 O ATOM 550 CB SER A 38 55.356 15.428 0.962 1.00 5.05 C ATOM 551 OG SER A 38 55.198 14.322 0.082 1.00 8.15 O ATOM 0 H SER A 38 54.036 15.515 3.099 1.00 5.82 H new ATOM 0 HA SER A 38 54.117 17.169 0.704 1.00 6.44 H new ATOM 0 HB2 SER A 38 56.117 16.107 0.578 1.00 5.05 H new ATOM 0 HB3 SER A 38 55.698 15.085 1.938 1.00 5.05 H new ATOM 0 HG SER A 38 56.053 13.852 -0.010 1.00 8.15 H new ATOM 557 N LEU A 39 52.116 14.658 1.006 1.00 7.89 N ATOM 558 CA LEU A 39 51.052 13.904 0.354 1.00 8.71 C ATOM 559 C LEU A 39 49.847 14.800 0.085 1.00 8.85 C ATOM 560 O LEU A 39 48.772 14.320 -0.274 1.00 8.85 O ATOM 561 CB LEU A 39 50.629 12.728 1.236 1.00 9.15 C ATOM 562 CG LEU A 39 51.560 11.541 0.986 1.00 8.10 C ATOM 563 CD1 LEU A 39 51.457 10.555 2.152 1.00 10.10 C ATOM 564 CD2 LEU A 39 51.152 10.838 -0.311 1.00 12.78 C ATOM 0 H LEU A 39 52.156 14.548 2.019 1.00 7.89 H new ATOM 0 HA LEU A 39 51.430 13.527 -0.597 1.00 8.71 H new ATOM 0 HB2 LEU A 39 50.665 13.017 2.287 1.00 9.15 H new ATOM 0 HB3 LEU A 39 49.599 12.448 1.017 1.00 9.15 H new ATOM 0 HG LEU A 39 52.587 11.897 0.901 1.00 8.10 H new ATOM 0 HD11 LEU A 39 52.121 9.709 1.973 1.00 10.10 H new ATOM 0 HD12 LEU A 39 51.746 11.054 3.077 1.00 10.10 H new ATOM 0 HD13 LEU A 39 50.430 10.199 2.238 1.00 10.10 H new ATOM 0 HD21 LEU A 39 51.815 9.992 -0.490 1.00 12.78 H new ATOM 0 HD22 LEU A 39 50.125 10.483 -0.225 1.00 12.78 H new ATOM 0 HD23 LEU A 39 51.225 11.538 -1.143 1.00 12.78 H new ATOM 576 N GLY A 40 50.035 16.104 0.261 1.00 9.60 N ATOM 577 CA GLY A 40 48.956 17.058 0.034 1.00 8.71 C ATOM 578 C GLY A 40 48.046 17.152 1.254 1.00 8.84 C ATOM 579 O GLY A 40 47.074 17.908 1.259 1.00 8.80 O ATOM 0 H GLY A 40 50.917 16.522 0.558 1.00 9.60 H new ATOM 0 HA2 GLY A 40 49.374 18.040 -0.189 1.00 8.71 H new ATOM 0 HA3 GLY A 40 48.374 16.754 -0.836 1.00 8.71 H new ATOM 583 N GLN A 41 48.366 16.379 2.286 1.00 9.43 N ATOM 584 CA GLN A 41 47.569 16.383 3.507 1.00 9.39 C ATOM 585 C GLN A 41 48.102 17.419 4.492 1.00 9.13 C ATOM 586 O GLN A 41 49.288 17.748 4.481 1.00 9.37 O ATOM 587 CB GLN A 41 47.601 14.998 4.156 1.00 9.54 C ATOM 588 CG GLN A 41 46.273 14.737 4.870 1.00 14.07 C ATOM 589 CD GLN A 41 46.251 13.318 5.428 1.00 18.80 C ATOM 590 OE1 GLN A 41 46.904 12.373 4.808 1.00 20.35 O flip ATOM 591 NE2 GLN A 41 45.621 13.064 6.455 1.00 17.18 N flip ATOM 0 H GLN A 41 49.166 15.746 2.302 1.00 9.43 H new ATOM 0 HA GLN A 41 46.542 16.639 3.247 1.00 9.39 H new ATOM 0 HB2 GLN A 41 47.775 14.234 3.398 1.00 9.54 H new ATOM 0 HB3 GLN A 41 48.426 14.937 4.866 1.00 9.54 H new ATOM 0 HG2 GLN A 41 46.137 15.456 5.678 1.00 14.07 H new ATOM 0 HG3 GLN A 41 45.444 14.877 4.176 1.00 14.07 H new ATOM 0 HE21 GLN A 41 45.112 13.805 6.937 1.00 17.18 H new ATOM 0 HE22 GLN A 41 45.608 12.113 6.824 1.00 17.18 H new ATOM 600 N ASN A 42 47.216 17.930 5.342 0.50 9.56 N ATOM 601 CA ASN A 42 47.608 18.928 6.330 0.50 9.39 C ATOM 602 C ASN A 42 47.188 18.488 7.729 0.50 9.08 C ATOM 603 O ASN A 42 46.170 18.939 8.254 0.50 10.22 O ATOM 604 CB ASN A 42 46.957 20.272 6.000 0.50 9.34 C ATOM 605 CG ASN A 42 47.593 20.866 4.747 0.50 8.10 C ATOM 606 OD1 ASN A 42 48.822 20.553 4.440 0.50 6.34 O flip ATOM 607 ND2 ASN A 42 46.952 21.634 4.029 0.50 6.21 N flip ATOM 0 H ASN A 42 46.230 17.672 5.366 0.50 9.56 H new ATOM 0 HA ASN A 42 48.693 19.033 6.304 0.50 9.39 H new ATOM 0 HB2 ASN A 42 45.886 20.139 5.846 0.50 9.34 H new ATOM 0 HB3 ASN A 42 47.075 20.958 6.838 0.50 9.34 H new ATOM 0 HD21 ASN A 42 45.991 21.877 4.272 0.50 6.21 H new ATOM 0 HD22 ASN A 42 47.382 22.027 3.192 0.50 6.21 H new ATOM 614 N PRO A 43 47.952 17.619 8.334 1.00 8.50 N ATOM 615 CA PRO A 43 47.661 17.101 9.700 1.00 6.21 C ATOM 616 C PRO A 43 48.053 18.096 10.790 1.00 4.45 C ATOM 617 O PRO A 43 49.112 18.719 10.724 1.00 7.13 O ATOM 618 CB PRO A 43 48.509 15.833 9.786 1.00 6.33 C ATOM 619 CG PRO A 43 49.659 16.058 8.859 1.00 8.63 C ATOM 620 CD PRO A 43 49.181 17.032 7.778 1.00 8.24 C ATOM 0 HA PRO A 43 46.597 16.922 9.855 1.00 6.21 H new ATOM 0 HB2 PRO A 43 48.855 15.660 10.805 1.00 6.33 H new ATOM 0 HB3 PRO A 43 47.934 14.955 9.492 1.00 6.33 H new ATOM 0 HG2 PRO A 43 50.513 16.469 9.397 1.00 8.63 H new ATOM 0 HG3 PRO A 43 49.985 15.118 8.414 1.00 8.63 H new ATOM 0 HD2 PRO A 43 49.930 17.797 7.573 1.00 8.24 H new ATOM 0 HD3 PRO A 43 48.986 16.517 6.837 1.00 8.24 H new ATOM 628 N THR A 44 47.190 18.237 11.791 1.00 4.83 N ATOM 629 CA THR A 44 47.455 19.157 12.891 1.00 3.51 C ATOM 630 C THR A 44 48.416 18.529 13.894 1.00 2.59 C ATOM 631 O THR A 44 48.700 17.333 13.830 1.00 2.00 O ATOM 632 CB THR A 44 46.146 19.522 13.594 1.00 3.90 C ATOM 633 OG1 THR A 44 45.062 19.357 12.690 1.00 3.35 O ATOM 634 CG2 THR A 44 46.204 20.976 14.064 1.00 3.21 C ATOM 0 H THR A 44 46.308 17.730 11.863 1.00 4.83 H new ATOM 0 HA THR A 44 47.911 20.059 12.484 1.00 3.51 H new ATOM 0 HB THR A 44 46.003 18.870 14.456 1.00 3.90 H new ATOM 0 HG1 THR A 44 44.223 19.589 13.140 1.00 3.35 H new ATOM 0 HG21 THR A 44 45.271 21.234 14.564 1.00 3.21 H new ATOM 0 HG22 THR A 44 47.035 21.101 14.758 1.00 3.21 H new ATOM 0 HG23 THR A 44 46.348 21.631 13.205 1.00 3.21 H new ATOM 642 N GLU A 45 48.914 19.342 14.820 1.00 2.00 N ATOM 643 CA GLU A 45 49.843 18.852 15.832 1.00 3.60 C ATOM 644 C GLU A 45 49.190 17.760 16.673 1.00 4.17 C ATOM 645 O GLU A 45 49.843 16.792 17.065 1.00 5.52 O ATOM 646 CB GLU A 45 50.282 20.004 16.739 1.00 4.15 C ATOM 647 CG GLU A 45 51.013 21.059 15.906 1.00 7.46 C ATOM 648 CD GLU A 45 51.720 22.049 16.824 1.00 7.32 C ATOM 649 OE1 GLU A 45 51.605 23.239 16.581 1.00 16.78 O ATOM 650 OE2 GLU A 45 52.368 21.604 17.758 1.00 13.96 O ATOM 0 H GLU A 45 48.692 20.335 14.891 1.00 2.00 H new ATOM 0 HA GLU A 45 50.715 18.435 15.328 1.00 3.60 H new ATOM 0 HB2 GLU A 45 49.414 20.448 17.227 1.00 4.15 H new ATOM 0 HB3 GLU A 45 50.935 19.631 17.528 1.00 4.15 H new ATOM 0 HG2 GLU A 45 51.738 20.578 15.249 1.00 7.46 H new ATOM 0 HG3 GLU A 45 50.304 21.585 15.267 1.00 7.46 H new ATOM 657 N ALA A 46 47.900 17.922 16.946 1.00 4.80 N ATOM 658 CA ALA A 46 47.169 16.943 17.742 1.00 3.98 C ATOM 659 C ALA A 46 47.037 15.627 16.982 1.00 2.82 C ATOM 660 O ALA A 46 46.851 14.568 17.582 1.00 4.64 O ATOM 661 CB ALA A 46 45.777 17.479 18.081 1.00 3.36 C ATOM 0 H ALA A 46 47.342 18.716 16.631 1.00 4.80 H new ATOM 0 HA ALA A 46 47.724 16.765 18.663 1.00 3.98 H new ATOM 0 HB1 ALA A 46 45.238 16.741 18.676 1.00 3.36 H new ATOM 0 HB2 ALA A 46 45.872 18.404 18.649 1.00 3.36 H new ATOM 0 HB3 ALA A 46 45.228 17.674 17.160 1.00 3.36 H new ATOM 667 N GLU A 47 47.136 15.701 15.659 0.50 3.25 N ATOM 668 CA GLU A 47 47.026 14.509 14.826 0.50 4.03 C ATOM 669 C GLU A 47 48.298 13.671 14.920 0.50 2.00 C ATOM 670 O GLU A 47 48.254 12.500 15.296 0.50 2.21 O ATOM 671 CB GLU A 47 46.783 14.909 13.370 0.50 3.18 C ATOM 672 CG GLU A 47 45.581 15.853 13.293 0.50 2.62 C ATOM 673 CD GLU A 47 45.035 15.887 11.870 0.50 5.31 C ATOM 674 OE1 GLU A 47 44.398 16.869 11.525 0.50 6.18 O ATOM 675 OE2 GLU A 47 45.262 14.932 11.146 0.50 2.00 O ATOM 0 H GLU A 47 47.291 16.567 15.143 0.50 3.25 H new ATOM 0 HA GLU A 47 46.185 13.915 15.184 0.50 4.03 H new ATOM 0 HB2 GLU A 47 47.669 15.397 12.963 0.50 3.18 H new ATOM 0 HB3 GLU A 47 46.601 14.022 12.764 0.50 3.18 H new ATOM 0 HG2 GLU A 47 44.804 15.522 13.982 0.50 2.62 H new ATOM 0 HG3 GLU A 47 45.875 16.856 13.602 0.50 2.62 H new ATOM 682 N LEU A 48 49.428 14.280 14.577 1.00 2.12 N ATOM 683 CA LEU A 48 50.706 13.579 14.627 1.00 2.61 C ATOM 684 C LEU A 48 50.902 12.919 15.988 1.00 3.92 C ATOM 685 O LEU A 48 51.151 11.717 16.075 1.00 2.59 O ATOM 686 CB LEU A 48 51.851 14.560 14.364 1.00 5.42 C ATOM 687 CG LEU A 48 52.236 14.511 12.885 1.00 4.58 C ATOM 688 CD1 LEU A 48 52.759 13.116 12.539 1.00 6.65 C ATOM 689 CD2 LEU A 48 51.006 14.820 12.028 1.00 5.37 C ATOM 0 H LEU A 48 49.486 15.249 14.264 1.00 2.12 H new ATOM 0 HA LEU A 48 50.706 12.807 13.858 1.00 2.61 H new ATOM 0 HB2 LEU A 48 51.548 15.571 14.639 1.00 5.42 H new ATOM 0 HB3 LEU A 48 52.711 14.306 14.983 1.00 5.42 H new ATOM 0 HG LEU A 48 53.013 15.250 12.688 1.00 4.58 H new ATOM 0 HD11 LEU A 48 53.033 13.081 11.485 1.00 6.65 H new ATOM 0 HD12 LEU A 48 53.634 12.894 13.149 1.00 6.65 H new ATOM 0 HD13 LEU A 48 51.982 12.377 12.736 1.00 6.65 H new ATOM 0 HD21 LEU A 48 51.279 14.785 10.973 1.00 5.37 H new ATOM 0 HD22 LEU A 48 50.230 14.081 12.226 1.00 5.37 H new ATOM 0 HD23 LEU A 48 50.632 15.814 12.273 1.00 5.37 H new ATOM 701 N GLN A 49 50.786 13.713 17.047 1.00 4.04 N ATOM 702 CA GLN A 49 50.951 13.194 18.400 1.00 6.32 C ATOM 703 C GLN A 49 50.044 11.988 18.624 1.00 4.43 C ATOM 704 O GLN A 49 50.407 11.050 19.334 1.00 6.21 O ATOM 705 CB GLN A 49 50.618 14.283 19.422 1.00 5.48 C ATOM 706 CG GLN A 49 51.874 15.103 19.722 1.00 4.72 C ATOM 707 CD GLN A 49 51.600 16.078 20.862 1.00 3.92 C ATOM 708 OE1 GLN A 49 51.771 15.732 22.030 1.00 7.05 O ATOM 709 NE2 GLN A 49 51.182 17.284 20.590 1.00 2.12 N ATOM 0 H GLN A 49 50.580 14.711 16.996 1.00 4.04 H new ATOM 0 HA GLN A 49 51.988 12.884 18.527 1.00 6.32 H new ATOM 0 HB2 GLN A 49 49.832 14.931 19.035 1.00 5.48 H new ATOM 0 HB3 GLN A 49 50.238 13.832 20.339 1.00 5.48 H new ATOM 0 HG2 GLN A 49 52.696 14.439 19.990 1.00 4.72 H new ATOM 0 HG3 GLN A 49 52.183 15.650 18.831 1.00 4.72 H new ATOM 0 HE21 GLN A 49 51.041 17.568 19.621 1.00 2.12 H new ATOM 0 HE22 GLN A 49 50.996 17.942 21.347 1.00 2.12 H new ATOM 718 N ASP A 50 48.864 12.021 18.015 1.00 3.85 N ATOM 719 CA ASP A 50 47.912 10.924 18.155 1.00 5.51 C ATOM 720 C ASP A 50 48.376 9.709 17.358 1.00 4.73 C ATOM 721 O ASP A 50 48.109 8.568 17.736 1.00 3.05 O ATOM 722 CB ASP A 50 46.532 11.364 17.662 1.00 6.72 C ATOM 723 CG ASP A 50 45.911 12.341 18.654 1.00 3.36 C ATOM 724 OD1 ASP A 50 46.561 12.647 19.640 1.00 2.00 O ATOM 725 OD2 ASP A 50 44.795 12.769 18.413 1.00 3.77 O ATOM 0 H ASP A 50 48.545 12.789 17.424 1.00 3.85 H new ATOM 0 HA ASP A 50 47.851 10.652 19.209 1.00 5.51 H new ATOM 0 HB2 ASP A 50 46.620 11.834 16.682 1.00 6.72 H new ATOM 0 HB3 ASP A 50 45.885 10.495 17.542 1.00 6.72 H new ATOM 730 N MET A 51 49.071 9.962 16.254 1.00 4.95 N ATOM 731 CA MET A 51 49.567 8.880 15.411 1.00 5.39 C ATOM 732 C MET A 51 50.815 8.253 16.024 1.00 5.93 C ATOM 733 O MET A 51 50.829 7.066 16.350 1.00 8.69 O ATOM 734 CB MET A 51 49.894 9.413 14.015 1.00 6.81 C ATOM 735 CG MET A 51 49.678 8.307 12.981 1.00 6.35 C ATOM 736 SD MET A 51 47.933 7.826 12.967 1.00 10.13 S ATOM 737 CE MET A 51 48.044 6.607 11.635 1.00 13.60 C ATOM 0 H MET A 51 49.302 10.899 15.924 1.00 4.95 H new ATOM 0 HA MET A 51 48.791 8.118 15.336 1.00 5.39 H new ATOM 0 HB2 MET A 51 49.261 10.270 13.784 1.00 6.81 H new ATOM 0 HB3 MET A 51 50.926 9.761 13.980 1.00 6.81 H new ATOM 0 HG2 MET A 51 49.978 8.655 11.993 1.00 6.35 H new ATOM 0 HG3 MET A 51 50.302 7.445 13.219 1.00 6.35 H new ATOM 0 HE1 MET A 51 47.060 6.174 11.455 1.00 13.60 H new ATOM 0 HE2 MET A 51 48.399 7.093 10.726 1.00 13.60 H new ATOM 0 HE3 MET A 51 48.740 5.818 11.920 1.00 13.60 H new ATOM 747 N ILE A 52 51.860 9.059 16.179 1.00 7.65 N ATOM 748 CA ILE A 52 53.108 8.572 16.755 1.00 4.46 C ATOM 749 C ILE A 52 52.839 7.813 18.051 1.00 4.03 C ATOM 750 O ILE A 52 53.284 6.678 18.219 1.00 3.57 O ATOM 751 CB ILE A 52 54.048 9.745 17.034 1.00 6.21 C ATOM 752 CG1 ILE A 52 54.362 10.469 15.723 1.00 8.71 C ATOM 753 CG2 ILE A 52 55.348 9.224 17.651 1.00 7.56 C ATOM 754 CD1 ILE A 52 55.492 9.739 14.993 1.00 8.27 C ATOM 0 H ILE A 52 51.868 10.045 15.916 1.00 7.65 H new ATOM 0 HA ILE A 52 53.576 7.895 16.041 1.00 4.46 H new ATOM 0 HB ILE A 52 53.569 10.436 17.727 1.00 6.21 H new ATOM 0 HG12 ILE A 52 53.473 10.506 15.094 1.00 8.71 H new ATOM 0 HG13 ILE A 52 54.652 11.500 15.925 1.00 8.71 H new ATOM 0 HG21 ILE A 52 56.018 10.061 17.850 1.00 7.56 H new ATOM 0 HG22 ILE A 52 55.126 8.707 18.585 1.00 7.56 H new ATOM 0 HG23 ILE A 52 55.828 8.532 16.959 1.00 7.56 H new ATOM 0 HD11 ILE A 52 55.715 10.255 14.059 1.00 8.27 H new ATOM 0 HD12 ILE A 52 56.382 9.725 15.622 1.00 8.27 H new ATOM 0 HD13 ILE A 52 55.184 8.716 14.777 1.00 8.27 H new ATOM 766 N ASN A 53 52.108 8.446 18.963 1.00 2.63 N ATOM 767 CA ASN A 53 51.788 7.817 20.238 1.00 2.00 C ATOM 768 C ASN A 53 51.063 6.493 20.015 1.00 6.04 C ATOM 769 O ASN A 53 51.329 5.506 20.700 1.00 3.59 O ATOM 770 CB ASN A 53 50.908 8.749 21.074 1.00 9.04 C ATOM 771 CG ASN A 53 50.348 7.997 22.277 1.00 3.69 C ATOM 772 OD1 ASN A 53 51.024 7.137 22.842 1.00 2.06 O ATOM 773 ND2 ASN A 53 49.147 8.272 22.704 1.00 3.59 N ATOM 0 H ASN A 53 51.729 9.386 18.844 1.00 2.63 H new ATOM 0 HA ASN A 53 52.719 7.623 20.770 1.00 2.00 H new ATOM 0 HB2 ASN A 53 51.490 9.608 21.410 1.00 9.04 H new ATOM 0 HB3 ASN A 53 50.092 9.136 20.464 1.00 9.04 H new ATOM 0 HD21 ASN A 53 48.765 7.774 23.508 1.00 3.59 H new ATOM 0 HD22 ASN A 53 48.589 8.985 22.234 1.00 3.59 H new ATOM 780 N GLU A 54 50.145 6.482 19.055 1.00 5.74 N ATOM 781 CA GLU A 54 49.384 5.275 18.752 1.00 2.00 C ATOM 782 C GLU A 54 50.317 4.129 18.372 1.00 2.75 C ATOM 783 O GLU A 54 50.206 3.024 18.903 1.00 4.80 O ATOM 784 CB GLU A 54 48.413 5.546 17.601 1.00 2.00 C ATOM 785 CG GLU A 54 46.997 5.719 18.156 1.00 5.28 C ATOM 786 CD GLU A 54 46.375 4.355 18.430 1.00 15.98 C ATOM 787 OE1 GLU A 54 45.991 3.698 17.476 1.00 23.58 O ATOM 788 OE2 GLU A 54 46.290 3.987 19.590 1.00 23.43 O ATOM 0 H GLU A 54 49.911 7.289 18.477 1.00 5.74 H new ATOM 0 HA GLU A 54 48.824 4.990 19.643 1.00 2.00 H new ATOM 0 HB2 GLU A 54 48.715 6.443 17.060 1.00 2.00 H new ATOM 0 HB3 GLU A 54 48.437 4.721 16.889 1.00 2.00 H new ATOM 0 HG2 GLU A 54 47.026 6.306 19.074 1.00 5.28 H new ATOM 0 HG3 GLU A 54 46.383 6.271 17.444 1.00 5.28 H new ATOM 795 N VAL A 55 51.235 4.399 17.449 1.00 2.00 N ATOM 796 CA VAL A 55 52.179 3.380 17.006 1.00 3.29 C ATOM 797 C VAL A 55 53.331 3.245 17.997 1.00 5.38 C ATOM 798 O VAL A 55 54.233 2.430 17.806 1.00 3.32 O ATOM 799 CB VAL A 55 52.729 3.742 15.625 1.00 4.63 C ATOM 800 CG1 VAL A 55 51.993 2.936 14.554 1.00 7.60 C ATOM 801 CG2 VAL A 55 52.520 5.236 15.370 1.00 6.66 C ATOM 0 H VAL A 55 51.345 5.307 16.997 1.00 2.00 H new ATOM 0 HA VAL A 55 51.653 2.427 16.949 1.00 3.29 H new ATOM 0 HB VAL A 55 53.793 3.510 15.586 1.00 4.63 H new ATOM 0 HG11 VAL A 55 52.385 3.194 13.570 1.00 7.60 H new ATOM 0 HG12 VAL A 55 52.140 1.871 14.735 1.00 7.60 H new ATOM 0 HG13 VAL A 55 50.928 3.167 14.592 1.00 7.60 H new ATOM 0 HG21 VAL A 55 52.911 5.495 14.386 1.00 6.66 H new ATOM 0 HG22 VAL A 55 51.455 5.466 15.409 1.00 6.66 H new ATOM 0 HG23 VAL A 55 53.044 5.812 16.133 1.00 6.66 H new ATOM 811 N ASP A 56 53.293 4.048 19.055 1.00 4.38 N ATOM 812 CA ASP A 56 54.341 4.007 20.069 1.00 5.59 C ATOM 813 C ASP A 56 53.820 3.364 21.351 1.00 9.10 C ATOM 814 O ASP A 56 52.996 3.944 22.057 1.00 10.26 O ATOM 815 CB ASP A 56 54.834 5.423 20.370 1.00 5.02 C ATOM 816 CG ASP A 56 56.154 5.365 21.131 1.00 8.99 C ATOM 817 OD1 ASP A 56 56.419 4.343 21.741 1.00 10.72 O ATOM 818 OD2 ASP A 56 56.881 6.345 21.092 1.00 12.55 O ATOM 0 H ASP A 56 52.555 4.729 19.232 1.00 4.38 H new ATOM 0 HA ASP A 56 55.168 3.410 19.686 1.00 5.59 H new ATOM 0 HB2 ASP A 56 54.965 5.977 19.440 1.00 5.02 H new ATOM 0 HB3 ASP A 56 54.089 5.959 20.958 1.00 5.02 H new ATOM 823 N ALA A 57 54.308 2.162 21.644 1.00 9.17 N ATOM 824 CA ALA A 57 53.884 1.449 22.844 1.00 12.52 C ATOM 825 C ALA A 57 54.671 1.929 24.059 1.00 14.37 C ATOM 826 O ALA A 57 54.102 2.166 25.125 1.00 15.13 O ATOM 827 CB ALA A 57 54.094 -0.055 22.659 1.00 12.36 C ATOM 0 H ALA A 57 54.991 1.665 21.072 1.00 9.17 H new ATOM 0 HA ALA A 57 52.826 1.650 23.009 1.00 12.52 H new ATOM 0 HB1 ALA A 57 53.775 -0.580 23.559 1.00 12.36 H new ATOM 0 HB2 ALA A 57 53.507 -0.402 21.809 1.00 12.36 H new ATOM 0 HB3 ALA A 57 55.150 -0.255 22.477 1.00 12.36 H new ATOM 833 N ASP A 58 55.982 2.070 23.892 1.00 14.32 N ATOM 834 CA ASP A 58 56.837 2.523 24.983 1.00 13.48 C ATOM 835 C ASP A 58 56.696 4.028 25.185 1.00 13.08 C ATOM 836 O ASP A 58 57.176 4.579 26.176 1.00 14.09 O ATOM 837 CB ASP A 58 58.297 2.181 24.680 1.00 11.69 C ATOM 838 CG ASP A 58 58.412 0.724 24.247 1.00 12.70 C ATOM 839 OD1 ASP A 58 58.168 -0.140 25.073 1.00 6.62 O ATOM 840 OD2 ASP A 58 58.742 0.493 23.095 1.00 9.36 O ATOM 0 H ASP A 58 56.473 1.879 23.018 1.00 14.32 H new ATOM 0 HA ASP A 58 56.528 2.015 25.896 1.00 13.48 H new ATOM 0 HB2 ASP A 58 58.676 2.834 23.894 1.00 11.69 H new ATOM 0 HB3 ASP A 58 58.911 2.356 25.563 1.00 11.69 H new ATOM 845 N GLY A 59 56.034 4.688 24.240 1.00 13.64 N ATOM 846 CA GLY A 59 55.836 6.130 24.324 1.00 12.80 C ATOM 847 C GLY A 59 57.165 6.853 24.510 1.00 12.45 C ATOM 848 O GLY A 59 57.205 7.989 24.983 1.00 11.32 O ATOM 0 H GLY A 59 55.628 4.251 23.413 1.00 13.64 H new ATOM 0 HA2 GLY A 59 55.347 6.487 23.418 1.00 12.80 H new ATOM 0 HA3 GLY A 59 55.172 6.362 25.157 1.00 12.80 H new ATOM 852 N ASP A 60 58.253 6.186 24.135 1.00 10.86 N ATOM 853 CA ASP A 60 59.580 6.776 24.265 1.00 11.08 C ATOM 854 C ASP A 60 59.793 7.855 23.209 1.00 11.89 C ATOM 855 O ASP A 60 60.652 8.724 23.359 1.00 13.26 O ATOM 856 CB ASP A 60 60.650 5.692 24.113 1.00 13.03 C ATOM 857 CG ASP A 60 60.335 4.815 22.906 1.00 13.27 C ATOM 858 OD1 ASP A 60 61.270 4.388 22.249 1.00 9.09 O ATOM 859 OD2 ASP A 60 59.163 4.585 22.656 1.00 7.54 O ATOM 0 H ASP A 60 58.242 5.245 23.742 1.00 10.86 H new ATOM 0 HA ASP A 60 59.660 7.230 25.253 1.00 11.08 H new ATOM 0 HB2 ASP A 60 61.631 6.152 23.993 1.00 13.03 H new ATOM 0 HB3 ASP A 60 60.692 5.082 25.015 1.00 13.03 H new ATOM 864 N GLY A 61 59.004 7.794 22.141 1.00 11.65 N ATOM 865 CA GLY A 61 59.115 8.773 21.065 1.00 9.60 C ATOM 866 C GLY A 61 59.805 8.168 19.848 1.00 9.33 C ATOM 867 O GLY A 61 60.469 8.871 19.086 1.00 7.68 O ATOM 0 H GLY A 61 58.286 7.083 21.998 1.00 11.65 H new ATOM 0 HA2 GLY A 61 58.123 9.127 20.787 1.00 9.60 H new ATOM 0 HA3 GLY A 61 59.677 9.640 21.413 1.00 9.60 H new ATOM 871 N THR A 62 59.643 6.861 19.670 1.00 6.58 N ATOM 872 CA THR A 62 60.256 6.172 18.540 1.00 6.33 C ATOM 873 C THR A 62 59.398 4.988 18.105 1.00 7.13 C ATOM 874 O THR A 62 58.692 4.389 18.916 1.00 6.30 O ATOM 875 CB THR A 62 61.653 5.678 18.924 1.00 7.99 C ATOM 876 OG1 THR A 62 61.774 5.660 20.340 1.00 9.62 O ATOM 877 CG2 THR A 62 62.708 6.613 18.332 1.00 11.55 C ATOM 0 H THR A 62 59.097 6.261 20.288 1.00 6.58 H new ATOM 0 HA THR A 62 60.335 6.874 17.710 1.00 6.33 H new ATOM 0 HB THR A 62 61.803 4.672 18.533 1.00 7.99 H new ATOM 0 HG1 THR A 62 61.339 4.857 20.695 1.00 9.62 H new ATOM 0 HG21 THR A 62 63.702 6.260 18.606 1.00 11.55 H new ATOM 0 HG22 THR A 62 62.614 6.626 17.246 1.00 11.55 H new ATOM 0 HG23 THR A 62 62.561 7.621 18.721 1.00 11.55 H new ATOM 885 N ILE A 63 59.464 4.657 16.820 1.00 7.32 N ATOM 886 CA ILE A 63 58.688 3.543 16.287 1.00 8.34 C ATOM 887 C ILE A 63 59.571 2.311 16.112 1.00 8.66 C ATOM 888 O ILE A 63 60.705 2.411 15.644 1.00 7.62 O ATOM 889 CB ILE A 63 58.075 3.930 14.941 1.00 8.46 C ATOM 890 CG1 ILE A 63 57.147 5.132 15.132 1.00 10.06 C ATOM 891 CG2 ILE A 63 57.273 2.752 14.387 1.00 7.97 C ATOM 892 CD1 ILE A 63 56.077 4.791 16.170 1.00 9.28 C ATOM 0 H ILE A 63 60.042 5.140 16.132 1.00 7.32 H new ATOM 0 HA ILE A 63 57.892 3.308 16.993 1.00 8.34 H new ATOM 0 HB ILE A 63 58.869 4.189 14.241 1.00 8.46 H new ATOM 0 HG12 ILE A 63 57.721 6.000 15.457 1.00 10.06 H new ATOM 0 HG13 ILE A 63 56.678 5.397 14.184 1.00 10.06 H new ATOM 0 HG21 ILE A 63 56.836 3.028 13.427 1.00 7.97 H new ATOM 0 HG22 ILE A 63 57.932 1.894 14.252 1.00 7.97 H new ATOM 0 HG23 ILE A 63 56.478 2.492 15.086 1.00 7.97 H new ATOM 0 HD11 ILE A 63 55.416 5.647 16.306 1.00 9.28 H new ATOM 0 HD12 ILE A 63 55.496 3.935 15.826 1.00 9.28 H new ATOM 0 HD13 ILE A 63 56.555 4.547 17.119 1.00 9.28 H new ATOM 904 N ASP A 64 59.045 1.151 16.493 1.00 8.67 N ATOM 905 CA ASP A 64 59.797 -0.093 16.374 1.00 8.18 C ATOM 906 C ASP A 64 59.152 -1.015 15.342 1.00 5.74 C ATOM 907 O ASP A 64 58.215 -0.624 14.647 1.00 3.75 O ATOM 908 CB ASP A 64 59.855 -0.797 17.731 1.00 8.75 C ATOM 909 CG ASP A 64 60.155 0.217 18.830 1.00 7.61 C ATOM 910 OD1 ASP A 64 60.320 1.381 18.506 1.00 11.33 O ATOM 911 OD2 ASP A 64 60.216 -0.186 19.980 1.00 9.97 O ATOM 0 H ASP A 64 58.109 1.047 16.884 1.00 8.67 H new ATOM 0 HA ASP A 64 60.809 0.144 16.045 1.00 8.18 H new ATOM 0 HB2 ASP A 64 58.907 -1.295 17.933 1.00 8.75 H new ATOM 0 HB3 ASP A 64 60.624 -1.569 17.717 1.00 8.75 H new ATOM 916 N PHE A 65 59.666 -2.238 15.242 1.00 6.48 N ATOM 917 CA PHE A 65 59.136 -3.204 14.284 1.00 6.44 C ATOM 918 C PHE A 65 57.936 -3.958 14.857 1.00 6.12 C ATOM 919 O PHE A 65 56.916 -4.110 14.184 1.00 4.44 O ATOM 920 CB PHE A 65 60.227 -4.203 13.888 1.00 5.02 C ATOM 921 CG PHE A 65 60.234 -4.378 12.388 1.00 5.00 C ATOM 922 CD1 PHE A 65 59.798 -5.582 11.822 1.00 7.40 C ATOM 923 CD2 PHE A 65 60.675 -3.336 11.563 1.00 5.31 C ATOM 924 CE1 PHE A 65 59.804 -5.745 10.432 1.00 6.56 C ATOM 925 CE2 PHE A 65 60.680 -3.499 10.172 1.00 7.32 C ATOM 926 CZ PHE A 65 60.245 -4.703 9.607 1.00 5.90 C ATOM 0 H PHE A 65 60.442 -2.582 15.807 1.00 6.48 H new ATOM 0 HA PHE A 65 58.805 -2.653 13.404 1.00 6.44 H new ATOM 0 HB2 PHE A 65 61.200 -3.848 14.227 1.00 5.02 H new ATOM 0 HB3 PHE A 65 60.050 -5.162 14.375 1.00 5.02 H new ATOM 0 HD1 PHE A 65 59.457 -6.385 12.458 1.00 7.40 H new ATOM 0 HD2 PHE A 65 61.011 -2.407 11.999 1.00 5.31 H new ATOM 0 HE1 PHE A 65 59.469 -6.674 9.996 1.00 6.56 H new ATOM 0 HE2 PHE A 65 61.020 -2.695 9.535 1.00 7.32 H new ATOM 0 HZ PHE A 65 60.249 -4.829 8.534 1.00 5.90 H new ATOM 936 N PRO A 66 58.036 -4.440 16.071 1.00 5.59 N ATOM 937 CA PRO A 66 56.931 -5.200 16.719 1.00 3.90 C ATOM 938 C PRO A 66 55.807 -4.290 17.207 1.00 4.48 C ATOM 939 O PRO A 66 54.661 -4.721 17.339 1.00 6.66 O ATOM 940 CB PRO A 66 57.615 -5.906 17.890 1.00 6.57 C ATOM 941 CG PRO A 66 58.803 -5.066 18.229 1.00 2.24 C ATOM 942 CD PRO A 66 59.205 -4.313 16.957 1.00 3.70 C ATOM 0 HA PRO A 66 56.448 -5.888 16.025 1.00 3.90 H new ATOM 0 HB2 PRO A 66 56.941 -5.994 18.742 1.00 6.57 H new ATOM 0 HB3 PRO A 66 57.916 -6.917 17.616 1.00 6.57 H new ATOM 0 HG2 PRO A 66 58.563 -4.367 19.030 1.00 2.24 H new ATOM 0 HG3 PRO A 66 59.625 -5.688 18.584 1.00 2.24 H new ATOM 0 HD2 PRO A 66 59.431 -3.268 17.169 1.00 3.70 H new ATOM 0 HD3 PRO A 66 60.096 -4.747 16.503 1.00 3.70 H new ATOM 950 N GLU A 67 56.139 -3.031 17.471 1.00 3.17 N ATOM 951 CA GLU A 67 55.143 -2.075 17.941 1.00 5.95 C ATOM 952 C GLU A 67 54.515 -1.337 16.763 1.00 6.62 C ATOM 953 O GLU A 67 53.429 -0.768 16.882 1.00 3.48 O ATOM 954 CB GLU A 67 55.791 -1.069 18.895 1.00 5.69 C ATOM 955 CG GLU A 67 56.493 0.025 18.088 1.00 5.12 C ATOM 956 CD GLU A 67 57.512 0.743 18.966 1.00 3.86 C ATOM 957 OE1 GLU A 67 57.832 1.879 18.659 1.00 7.44 O ATOM 958 OE2 GLU A 67 57.956 0.147 19.933 1.00 5.11 O ATOM 0 H GLU A 67 57.080 -2.651 17.369 1.00 3.17 H new ATOM 0 HA GLU A 67 54.362 -2.621 18.471 1.00 5.95 H new ATOM 0 HB2 GLU A 67 55.034 -0.628 19.543 1.00 5.69 H new ATOM 0 HB3 GLU A 67 56.508 -1.575 19.541 1.00 5.69 H new ATOM 0 HG2 GLU A 67 56.990 -0.412 17.222 1.00 5.12 H new ATOM 0 HG3 GLU A 67 55.760 0.737 17.709 1.00 5.12 H new ATOM 965 N PHE A 68 55.203 -1.353 15.626 1.00 6.05 N ATOM 966 CA PHE A 68 54.702 -0.684 14.431 1.00 4.52 C ATOM 967 C PHE A 68 53.708 -1.577 13.695 1.00 3.96 C ATOM 968 O PHE A 68 52.776 -1.090 13.054 1.00 5.29 O ATOM 969 CB PHE A 68 55.864 -0.338 13.499 1.00 4.53 C ATOM 970 CG PHE A 68 55.324 0.079 12.153 1.00 2.68 C ATOM 971 CD1 PHE A 68 54.543 1.236 12.040 1.00 8.58 C ATOM 972 CD2 PHE A 68 55.603 -0.690 11.017 1.00 2.58 C ATOM 973 CE1 PHE A 68 54.042 1.624 10.791 1.00 5.36 C ATOM 974 CE2 PHE A 68 55.102 -0.303 9.768 1.00 7.42 C ATOM 975 CZ PHE A 68 54.322 0.854 9.656 1.00 2.84 C ATOM 0 H PHE A 68 56.103 -1.818 15.507 1.00 6.05 H new ATOM 0 HA PHE A 68 54.196 0.232 14.736 1.00 4.52 H new ATOM 0 HB2 PHE A 68 56.461 0.467 13.928 1.00 4.53 H new ATOM 0 HB3 PHE A 68 56.523 -1.199 13.387 1.00 4.53 H new ATOM 0 HD1 PHE A 68 54.327 1.829 12.916 1.00 8.58 H new ATOM 0 HD2 PHE A 68 56.205 -1.582 11.104 1.00 2.58 H new ATOM 0 HE1 PHE A 68 53.440 2.516 10.704 1.00 5.36 H new ATOM 0 HE2 PHE A 68 55.317 -0.897 8.892 1.00 7.42 H new ATOM 0 HZ PHE A 68 53.936 1.153 8.693 1.00 2.84 H new ATOM 985 N LEU A 69 53.909 -2.887 13.798 1.00 3.21 N ATOM 986 CA LEU A 69 53.021 -3.841 13.147 1.00 2.17 C ATOM 987 C LEU A 69 51.796 -4.104 14.017 1.00 2.00 C ATOM 988 O LEU A 69 50.681 -4.237 13.514 1.00 4.25 O ATOM 989 CB LEU A 69 53.763 -5.155 12.893 1.00 4.14 C ATOM 990 CG LEU A 69 54.960 -4.894 11.977 1.00 4.19 C ATOM 991 CD1 LEU A 69 56.048 -5.934 12.247 1.00 3.81 C ATOM 992 CD2 LEU A 69 54.513 -4.992 10.516 1.00 9.43 C ATOM 0 H LEU A 69 54.675 -3.309 14.323 1.00 3.21 H new ATOM 0 HA LEU A 69 52.695 -3.420 12.196 1.00 2.17 H new ATOM 0 HB2 LEU A 69 54.100 -5.583 13.837 1.00 4.14 H new ATOM 0 HB3 LEU A 69 53.092 -5.882 12.435 1.00 4.14 H new ATOM 0 HG LEU A 69 55.356 -3.897 12.172 1.00 4.19 H new ATOM 0 HD11 LEU A 69 56.900 -5.747 11.594 1.00 3.81 H new ATOM 0 HD12 LEU A 69 56.366 -5.866 13.287 1.00 3.81 H new ATOM 0 HD13 LEU A 69 55.654 -6.932 12.053 1.00 3.81 H new ATOM 0 HD21 LEU A 69 55.365 -4.806 9.862 1.00 9.43 H new ATOM 0 HD22 LEU A 69 54.117 -5.989 10.323 1.00 9.43 H new ATOM 0 HD23 LEU A 69 53.738 -4.250 10.322 1.00 9.43 H new ATOM 1004 N THR A 70 52.015 -4.179 15.327 1.00 3.70 N ATOM 1005 CA THR A 70 50.924 -4.427 16.261 1.00 5.12 C ATOM 1006 C THR A 70 49.841 -3.364 16.115 1.00 5.47 C ATOM 1007 O THR A 70 48.666 -3.681 15.935 1.00 6.71 O ATOM 1008 CB THR A 70 51.454 -4.424 17.697 1.00 6.65 C ATOM 1009 OG1 THR A 70 52.543 -5.332 17.799 1.00 7.41 O ATOM 1010 CG2 THR A 70 50.341 -4.849 18.656 1.00 7.53 C ATOM 0 H THR A 70 52.931 -4.072 15.762 1.00 3.70 H new ATOM 0 HA THR A 70 50.493 -5.402 16.035 1.00 5.12 H new ATOM 0 HB THR A 70 51.790 -3.421 17.958 1.00 6.65 H new ATOM 0 HG1 THR A 70 53.387 -4.839 17.729 1.00 7.41 H new ATOM 0 HG21 THR A 70 50.720 -4.846 19.678 1.00 7.53 H new ATOM 0 HG22 THR A 70 49.507 -4.152 18.577 1.00 7.53 H new ATOM 0 HG23 THR A 70 50.002 -5.852 18.398 1.00 7.53 H new ATOM 1018 N MET A 71 50.245 -2.100 16.192 1.00 4.38 N ATOM 1019 CA MET A 71 49.299 -0.998 16.066 1.00 6.23 C ATOM 1020 C MET A 71 48.394 -1.205 14.856 1.00 7.97 C ATOM 1021 O MET A 71 47.172 -1.102 14.958 1.00 7.91 O ATOM 1022 CB MET A 71 50.054 0.325 15.920 1.00 7.76 C ATOM 1023 CG MET A 71 49.066 1.489 16.012 1.00 9.30 C ATOM 1024 SD MET A 71 48.099 1.584 14.485 1.00 11.86 S ATOM 1025 CE MET A 71 47.826 3.373 14.499 1.00 11.60 C ATOM 0 H MET A 71 51.213 -1.815 16.340 1.00 4.38 H new ATOM 0 HA MET A 71 48.684 -0.968 16.965 1.00 6.23 H new ATOM 0 HB2 MET A 71 50.810 0.413 16.701 1.00 7.76 H new ATOM 0 HB3 MET A 71 50.578 0.353 14.965 1.00 7.76 H new ATOM 0 HG2 MET A 71 48.403 1.351 16.866 1.00 9.30 H new ATOM 0 HG3 MET A 71 49.603 2.424 16.173 1.00 9.30 H new ATOM 0 HE1 MET A 71 47.412 3.685 13.540 1.00 11.60 H new ATOM 0 HE2 MET A 71 47.128 3.628 15.296 1.00 11.60 H new ATOM 0 HE3 MET A 71 48.773 3.884 14.669 1.00 11.60 H new ATOM 1035 N MET A 72 49.003 -1.499 13.711 1.00 9.49 N ATOM 1036 CA MET A 72 48.241 -1.719 12.487 1.00 9.20 C ATOM 1037 C MET A 72 47.505 -3.054 12.547 1.00 8.73 C ATOM 1038 O MET A 72 46.322 -3.137 12.218 1.00 8.56 O ATOM 1039 CB MET A 72 49.179 -1.704 11.279 1.00 11.85 C ATOM 1040 CG MET A 72 49.995 -0.411 11.281 1.00 12.33 C ATOM 1041 SD MET A 72 49.300 0.743 10.072 1.00 22.32 S ATOM 1042 CE MET A 72 50.810 1.694 9.772 1.00 15.46 C ATOM 0 H MET A 72 50.013 -1.590 13.605 1.00 9.49 H new ATOM 0 HA MET A 72 47.508 -0.918 12.388 1.00 9.20 H new ATOM 0 HB2 MET A 72 49.845 -2.566 11.312 1.00 11.85 H new ATOM 0 HB3 MET A 72 48.603 -1.781 10.357 1.00 11.85 H new ATOM 0 HG2 MET A 72 49.984 0.037 12.275 1.00 12.33 H new ATOM 0 HG3 MET A 72 51.036 -0.625 11.039 1.00 12.33 H new ATOM 0 HE1 MET A 72 50.574 2.571 9.169 1.00 15.46 H new ATOM 0 HE2 MET A 72 51.235 2.012 10.724 1.00 15.46 H new ATOM 0 HE3 MET A 72 51.532 1.073 9.242 1.00 15.46 H new ATOM 1052 N ALA A 73 48.214 -4.097 12.967 1.00 8.08 N ATOM 1053 CA ALA A 73 47.617 -5.424 13.066 1.00 7.41 C ATOM 1054 C ALA A 73 46.384 -5.392 13.962 1.00 8.06 C ATOM 1055 O ALA A 73 45.304 -5.828 13.564 1.00 5.90 O ATOM 1056 CB ALA A 73 48.637 -6.414 13.632 1.00 9.15 C ATOM 0 H ALA A 73 49.195 -4.050 13.242 1.00 8.08 H new ATOM 0 HA ALA A 73 47.317 -5.742 12.068 1.00 7.41 H new ATOM 0 HB1 ALA A 73 48.184 -7.403 13.703 1.00 9.15 H new ATOM 0 HB2 ALA A 73 49.505 -6.459 12.974 1.00 9.15 H new ATOM 0 HB3 ALA A 73 48.950 -6.087 14.623 1.00 9.15 H new ATOM 1062 N ARG A 74 46.552 -4.874 15.174 1.00 7.07 N ATOM 1063 CA ARG A 74 45.444 -4.791 16.119 1.00 10.51 C ATOM 1064 C ARG A 74 44.190 -4.265 15.428 1.00 13.70 C ATOM 1065 O ARG A 74 43.083 -4.736 15.688 1.00 13.80 O ATOM 1066 CB ARG A 74 45.815 -3.866 17.280 1.00 9.06 C ATOM 1067 CG ARG A 74 44.730 -3.937 18.357 1.00 8.61 C ATOM 1068 CD ARG A 74 45.172 -3.133 19.581 1.00 8.72 C ATOM 1069 NE ARG A 74 45.432 -1.748 19.207 1.00 7.70 N ATOM 1070 CZ ARG A 74 46.238 -0.980 19.934 1.00 10.03 C ATOM 1071 NH1 ARG A 74 46.456 0.257 19.579 1.00 9.17 N ATOM 1072 NH2 ARG A 74 46.812 -1.464 21.001 1.00 12.90 N ATOM 0 H ARG A 74 47.438 -4.508 15.523 1.00 7.07 H new ATOM 0 HA ARG A 74 45.242 -5.791 16.502 1.00 10.51 H new ATOM 0 HB2 ARG A 74 46.778 -4.159 17.699 1.00 9.06 H new ATOM 0 HB3 ARG A 74 45.921 -2.842 16.923 1.00 9.06 H new ATOM 0 HG2 ARG A 74 43.791 -3.542 17.969 1.00 8.61 H new ATOM 0 HG3 ARG A 74 44.548 -4.975 18.637 1.00 8.61 H new ATOM 0 HD2 ARG A 74 44.399 -3.171 20.349 1.00 8.72 H new ATOM 0 HD3 ARG A 74 46.070 -3.576 20.011 1.00 8.72 H new ATOM 0 HE ARG A 74 44.988 -1.362 18.374 1.00 7.70 H new ATOM 0 HH11 ARG A 74 46.008 0.634 18.744 1.00 9.17 H new ATOM 0 HH12 ARG A 74 47.074 0.846 20.137 1.00 9.17 H new ATOM 0 HH21 ARG A 74 46.642 -2.431 21.277 1.00 12.90 H new ATOM 0 HH22 ARG A 74 47.430 -0.875 21.559 1.00 12.90 H new ATOM 1086 N LYS A 75 44.372 -3.287 14.547 1.00 16.35 N ATOM 1087 CA LYS A 75 43.247 -2.705 13.823 1.00 20.00 C ATOM 1088 C LYS A 75 42.402 -3.799 13.178 1.00 24.09 C ATOM 1089 O LYS A 75 41.174 -3.773 13.252 1.00 25.18 O ATOM 1090 CB LYS A 75 43.759 -1.749 12.744 1.00 19.04 C ATOM 1091 CG LYS A 75 42.627 -0.815 12.308 1.00 19.89 C ATOM 1092 CD LYS A 75 42.948 0.617 12.743 1.00 18.07 C ATOM 1093 CE LYS A 75 44.046 1.190 11.845 1.00 18.98 C ATOM 1094 NZ LYS A 75 43.441 1.687 10.577 1.00 19.67 N ATOM 0 H LYS A 75 45.280 -2.883 14.318 1.00 16.35 H new ATOM 0 HA LYS A 75 42.628 -2.154 14.532 1.00 20.00 H new ATOM 0 HB2 LYS A 75 44.597 -1.167 13.127 1.00 19.04 H new ATOM 0 HB3 LYS A 75 44.128 -2.314 11.888 1.00 19.04 H new ATOM 0 HG2 LYS A 75 42.503 -0.858 11.226 1.00 19.89 H new ATOM 0 HG3 LYS A 75 41.685 -1.138 12.750 1.00 19.89 H new ATOM 0 HD2 LYS A 75 42.053 1.236 12.681 1.00 18.07 H new ATOM 0 HD3 LYS A 75 43.272 0.628 13.784 1.00 18.07 H new ATOM 0 HE2 LYS A 75 44.562 2.002 12.357 1.00 18.98 H new ATOM 0 HE3 LYS A 75 44.791 0.424 11.629 1.00 18.98 H new ATOM 0 HZ1 LYS A 75 44.148 1.646 9.816 1.00 19.67 H new ATOM 0 HZ2 LYS A 75 42.626 1.092 10.325 1.00 19.67 H new ATOM 0 HZ3 LYS A 75 43.126 2.670 10.705 1.00 19.67 H new ATOM 1108 N MET A 76 43.069 -4.758 12.545 1.00 27.98 N ATOM 1109 CA MET A 76 42.369 -5.857 11.889 1.00 31.28 C ATOM 1110 C MET A 76 41.667 -6.736 12.920 1.00 33.28 C ATOM 1111 O MET A 76 40.726 -7.460 12.595 1.00 34.71 O ATOM 1112 CB MET A 76 43.359 -6.701 11.085 1.00 31.71 C ATOM 1113 CG MET A 76 43.630 -6.027 9.739 1.00 33.18 C ATOM 1114 SD MET A 76 44.570 -7.153 8.679 1.00 34.79 S ATOM 1115 CE MET A 76 45.830 -5.967 8.149 1.00 33.37 C ATOM 0 H MET A 76 44.086 -4.797 12.472 1.00 27.98 H new ATOM 0 HA MET A 76 41.621 -5.437 11.217 1.00 31.28 H new ATOM 0 HB2 MET A 76 44.290 -6.816 11.640 1.00 31.71 H new ATOM 0 HB3 MET A 76 42.956 -7.702 10.928 1.00 31.71 H new ATOM 0 HG2 MET A 76 42.689 -5.759 9.259 1.00 33.18 H new ATOM 0 HG3 MET A 76 44.187 -5.102 9.889 1.00 33.18 H new ATOM 0 HE1 MET A 76 46.531 -6.458 7.474 1.00 33.37 H new ATOM 0 HE2 MET A 76 45.352 -5.134 7.633 1.00 33.37 H new ATOM 0 HE3 MET A 76 46.367 -5.593 9.021 1.00 33.37 H new ATOM 1125 N LYS A 77 42.132 -6.667 14.163 1.00 35.40 N ATOM 1126 CA LYS A 77 41.541 -7.461 15.234 1.00 36.50 C ATOM 1127 C LYS A 77 40.728 -6.575 16.173 1.00 37.55 C ATOM 1128 O LYS A 77 40.736 -6.770 17.388 1.00 37.57 O ATOM 1129 CB LYS A 77 42.641 -8.172 16.025 1.00 36.85 C ATOM 1130 CG LYS A 77 42.038 -9.349 16.794 1.00 37.43 C ATOM 1131 CD LYS A 77 42.847 -9.592 18.070 1.00 37.60 C ATOM 1132 CE LYS A 77 42.489 -10.963 18.648 1.00 37.65 C ATOM 1133 NZ LYS A 77 41.012 -11.058 18.824 1.00 35.44 N ATOM 0 H LYS A 77 42.910 -6.074 14.452 1.00 35.40 H new ATOM 0 HA LYS A 77 40.878 -8.202 14.788 1.00 36.50 H new ATOM 0 HB2 LYS A 77 43.419 -8.526 15.349 1.00 36.85 H new ATOM 0 HB3 LYS A 77 43.114 -7.475 16.717 1.00 36.85 H new ATOM 0 HG2 LYS A 77 40.998 -9.139 17.044 1.00 37.43 H new ATOM 0 HG3 LYS A 77 42.042 -10.244 16.172 1.00 37.43 H new ATOM 0 HD2 LYS A 77 43.914 -9.545 17.851 1.00 37.60 H new ATOM 0 HD3 LYS A 77 42.637 -8.811 18.801 1.00 37.60 H new ATOM 0 HE2 LYS A 77 42.838 -11.752 17.982 1.00 37.65 H new ATOM 0 HE3 LYS A 77 42.990 -11.108 19.605 1.00 37.65 H new ATOM 0 HZ1 LYS A 77 40.789 -11.844 19.467 1.00 35.44 H new ATOM 0 HZ2 LYS A 77 40.652 -10.169 19.227 1.00 35.44 H new ATOM 0 HZ3 LYS A 77 40.563 -11.227 17.901 1.00 35.44 H new ATOM 1147 N ASP A 78 40.027 -5.602 15.601 1.00 38.44 N ATOM 1148 CA ASP A 78 39.212 -4.691 16.397 1.00 38.90 C ATOM 1149 C ASP A 78 38.167 -4.004 15.523 1.00 38.64 C ATOM 1150 O ASP A 78 38.031 -4.316 14.340 1.00 38.62 O ATOM 1151 CB ASP A 78 40.101 -3.636 17.057 1.00 39.45 C ATOM 1152 CG ASP A 78 40.329 -2.472 16.099 1.00 40.62 C ATOM 1153 OD1 ASP A 78 40.138 -2.664 14.909 1.00 41.55 O ATOM 1154 OD2 ASP A 78 40.690 -1.406 16.568 1.00 42.58 O ATOM 0 H ASP A 78 40.006 -5.424 14.597 1.00 38.44 H new ATOM 0 HA ASP A 78 38.702 -5.269 17.167 1.00 38.90 H new ATOM 0 HB2 ASP A 78 39.634 -3.277 17.974 1.00 39.45 H new ATOM 0 HB3 ASP A 78 41.057 -4.078 17.339 1.00 39.45 H new ATOM 1159 N THR A 79 37.431 -3.069 16.115 1.00 38.19 N ATOM 1160 CA THR A 79 36.400 -2.344 15.381 1.00 37.86 C ATOM 1161 C THR A 79 37.032 -1.363 14.398 1.00 37.73 C ATOM 1162 O THR A 79 38.212 -1.031 14.511 1.00 37.97 O ATOM 1163 CB THR A 79 35.500 -1.583 16.357 1.00 37.85 C ATOM 1164 OG1 THR A 79 36.214 -0.477 16.892 1.00 37.57 O ATOM 1165 CG2 THR A 79 35.073 -2.515 17.492 1.00 38.40 C ATOM 0 H THR A 79 37.528 -2.797 17.093 1.00 38.19 H new ATOM 0 HA THR A 79 35.802 -3.065 14.824 1.00 37.86 H new ATOM 0 HB THR A 79 34.614 -1.225 15.832 1.00 37.85 H new ATOM 0 HG1 THR A 79 35.639 0.013 17.516 1.00 37.57 H new ATOM 0 HG21 THR A 79 34.432 -1.972 18.187 1.00 38.40 H new ATOM 0 HG22 THR A 79 34.526 -3.363 17.080 1.00 38.40 H new ATOM 0 HG23 THR A 79 35.957 -2.875 18.019 1.00 38.40 H new ATOM 1173 N ASP A 80 36.240 -0.904 13.435 1.00 36.93 N ATOM 1174 CA ASP A 80 36.733 0.039 12.439 1.00 35.96 C ATOM 1175 C ASP A 80 35.862 1.291 12.407 1.00 34.62 C ATOM 1176 O ASP A 80 34.663 1.231 12.679 1.00 34.15 O ATOM 1177 CB ASP A 80 36.738 -0.616 11.056 1.00 36.21 C ATOM 1178 CG ASP A 80 37.981 -1.486 10.896 1.00 36.84 C ATOM 1179 OD1 ASP A 80 38.863 -1.093 10.151 1.00 37.34 O ATOM 1180 OD2 ASP A 80 38.032 -2.532 11.522 1.00 37.51 O ATOM 0 H ASP A 80 35.261 -1.167 13.323 1.00 36.93 H new ATOM 0 HA ASP A 80 37.750 0.324 12.710 1.00 35.96 H new ATOM 0 HB2 ASP A 80 35.841 -1.222 10.928 1.00 36.21 H new ATOM 0 HB3 ASP A 80 36.718 0.150 10.281 1.00 36.21 H new ATOM 1185 N SER A 81 36.473 2.423 12.074 1.00 33.12 N ATOM 1186 CA SER A 81 35.743 3.683 12.010 1.00 32.50 C ATOM 1187 C SER A 81 35.754 4.238 10.589 1.00 31.96 C ATOM 1188 O SER A 81 36.801 4.299 9.944 1.00 32.51 O ATOM 1189 CB SER A 81 36.373 4.700 12.961 1.00 32.54 C ATOM 1190 OG SER A 81 37.788 4.629 12.855 1.00 31.58 O ATOM 0 H SER A 81 37.465 2.494 11.846 1.00 33.12 H new ATOM 0 HA SER A 81 34.711 3.498 12.308 1.00 32.50 H new ATOM 0 HB2 SER A 81 36.029 5.705 12.717 1.00 32.54 H new ATOM 0 HB3 SER A 81 36.063 4.497 13.986 1.00 32.54 H new ATOM 0 HG SER A 81 38.038 4.466 11.922 1.00 31.58 H new ATOM 1196 N GLU A 82 34.583 4.642 10.107 1.00 30.82 N ATOM 1197 CA GLU A 82 34.470 5.191 8.761 1.00 29.89 C ATOM 1198 C GLU A 82 35.111 6.573 8.690 1.00 28.70 C ATOM 1199 O GLU A 82 35.292 7.129 7.607 1.00 28.16 O ATOM 1200 CB GLU A 82 32.997 5.288 8.359 1.00 30.37 C ATOM 1201 CG GLU A 82 32.178 4.282 9.170 1.00 31.12 C ATOM 1202 CD GLU A 82 30.927 3.882 8.395 1.00 32.64 C ATOM 1203 OE1 GLU A 82 31.060 3.533 7.234 1.00 34.28 O ATOM 1204 OE2 GLU A 82 29.854 3.931 8.975 1.00 32.86 O ATOM 0 H GLU A 82 33.705 4.600 10.624 1.00 30.82 H new ATOM 0 HA GLU A 82 34.991 4.526 8.073 1.00 29.89 H new ATOM 0 HB2 GLU A 82 32.627 6.298 8.534 1.00 30.37 H new ATOM 0 HB3 GLU A 82 32.886 5.088 7.293 1.00 30.37 H new ATOM 0 HG2 GLU A 82 32.780 3.399 9.385 1.00 31.12 H new ATOM 0 HG3 GLU A 82 31.898 4.718 10.129 1.00 31.12 H new ATOM 1211 N GLU A 83 35.453 7.121 9.851 1.00 27.40 N ATOM 1212 CA GLU A 83 36.074 8.440 9.909 1.00 26.44 C ATOM 1213 C GLU A 83 37.390 8.447 9.139 1.00 24.80 C ATOM 1214 O GLU A 83 37.599 9.278 8.256 1.00 24.59 O ATOM 1215 CB GLU A 83 36.330 8.833 11.365 1.00 26.68 C ATOM 1216 CG GLU A 83 34.995 9.061 12.076 1.00 28.12 C ATOM 1217 CD GLU A 83 35.238 9.601 13.481 1.00 29.86 C ATOM 1218 OE1 GLU A 83 35.696 10.726 13.592 1.00 30.91 O ATOM 1219 OE2 GLU A 83 34.962 8.880 14.427 1.00 30.49 O ATOM 0 H GLU A 83 35.312 6.677 10.758 1.00 27.40 H new ATOM 0 HA GLU A 83 35.396 9.161 9.452 1.00 26.44 H new ATOM 0 HB2 GLU A 83 36.894 8.049 11.870 1.00 26.68 H new ATOM 0 HB3 GLU A 83 36.935 9.738 11.407 1.00 26.68 H new ATOM 0 HG2 GLU A 83 34.386 9.764 11.508 1.00 28.12 H new ATOM 0 HG3 GLU A 83 34.437 8.126 12.128 1.00 28.12 H new ATOM 1226 N GLU A 84 38.274 7.515 9.480 1.00 22.86 N ATOM 1227 CA GLU A 84 39.568 7.424 8.813 1.00 21.10 C ATOM 1228 C GLU A 84 39.390 7.049 7.345 1.00 19.58 C ATOM 1229 O GLU A 84 40.001 7.651 6.462 1.00 18.69 O ATOM 1230 CB GLU A 84 40.441 6.376 9.507 1.00 21.32 C ATOM 1231 CG GLU A 84 41.640 6.040 8.618 1.00 21.26 C ATOM 1232 CD GLU A 84 42.684 5.270 9.420 1.00 20.61 C ATOM 1233 OE1 GLU A 84 42.331 4.249 9.988 1.00 18.73 O ATOM 1234 OE2 GLU A 84 43.820 5.713 9.456 1.00 19.88 O ATOM 0 H GLU A 84 38.120 6.817 10.208 1.00 22.86 H new ATOM 0 HA GLU A 84 40.054 8.398 8.871 1.00 21.10 H new ATOM 0 HB2 GLU A 84 40.784 6.753 10.471 1.00 21.32 H new ATOM 0 HB3 GLU A 84 39.859 5.476 9.706 1.00 21.32 H new ATOM 0 HG2 GLU A 84 41.315 5.446 7.764 1.00 21.26 H new ATOM 0 HG3 GLU A 84 42.077 6.956 8.221 1.00 21.26 H new ATOM 1241 N ILE A 85 38.550 6.051 7.092 1.00 18.05 N ATOM 1242 CA ILE A 85 38.299 5.604 5.727 1.00 17.24 C ATOM 1243 C ILE A 85 37.901 6.782 4.842 1.00 15.64 C ATOM 1244 O ILE A 85 38.072 6.740 3.624 1.00 14.56 O ATOM 1245 CB ILE A 85 37.185 4.557 5.716 1.00 17.25 C ATOM 1246 CG1 ILE A 85 37.527 3.440 6.706 1.00 18.63 C ATOM 1247 CG2 ILE A 85 37.050 3.968 4.311 1.00 19.17 C ATOM 1248 CD1 ILE A 85 36.388 2.420 6.739 1.00 18.98 C ATOM 0 H ILE A 85 38.035 5.540 7.809 1.00 18.05 H new ATOM 0 HA ILE A 85 39.216 5.163 5.336 1.00 17.24 H new ATOM 0 HB ILE A 85 36.244 5.025 6.005 1.00 17.25 H new ATOM 0 HG12 ILE A 85 38.457 2.953 6.414 1.00 18.63 H new ATOM 0 HG13 ILE A 85 37.685 3.857 7.701 1.00 18.63 H new ATOM 0 HG21 ILE A 85 36.256 3.222 4.304 1.00 19.17 H new ATOM 0 HG22 ILE A 85 36.808 4.762 3.605 1.00 19.17 H new ATOM 0 HG23 ILE A 85 37.990 3.499 4.021 1.00 19.17 H new ATOM 0 HD11 ILE A 85 36.632 1.625 7.444 1.00 18.98 H new ATOM 0 HD12 ILE A 85 35.467 2.913 7.052 1.00 18.98 H new ATOM 0 HD13 ILE A 85 36.252 1.994 5.745 1.00 18.98 H new ATOM 1260 N ARG A 86 37.370 7.829 5.464 1.00 14.41 N ATOM 1261 CA ARG A 86 36.951 9.013 4.722 1.00 13.90 C ATOM 1262 C ARG A 86 38.155 9.886 4.383 1.00 12.70 C ATOM 1263 O ARG A 86 38.352 10.267 3.229 1.00 11.99 O ATOM 1264 CB ARG A 86 35.949 9.821 5.549 1.00 14.24 C ATOM 1265 CG ARG A 86 34.559 9.195 5.422 1.00 17.61 C ATOM 1266 CD ARG A 86 33.836 9.796 4.216 1.00 20.77 C ATOM 1267 NE ARG A 86 33.152 11.026 4.599 1.00 24.52 N ATOM 1268 CZ ARG A 86 32.109 11.477 3.909 1.00 25.58 C ATOM 1269 NH1 ARG A 86 31.514 12.580 4.272 1.00 26.77 N ATOM 1270 NH2 ARG A 86 31.681 10.816 2.869 1.00 26.85 N ATOM 0 H ARG A 86 37.220 7.883 6.472 1.00 14.41 H new ATOM 0 HA ARG A 86 36.478 8.689 3.795 1.00 13.90 H new ATOM 0 HB2 ARG A 86 36.256 9.840 6.595 1.00 14.24 H new ATOM 0 HB3 ARG A 86 35.927 10.855 5.204 1.00 14.24 H new ATOM 0 HG2 ARG A 86 34.645 8.115 5.307 1.00 17.61 H new ATOM 0 HG3 ARG A 86 33.984 9.374 6.330 1.00 17.61 H new ATOM 0 HD2 ARG A 86 34.551 10.002 3.420 1.00 20.77 H new ATOM 0 HD3 ARG A 86 33.116 9.079 3.820 1.00 20.77 H new ATOM 0 HE ARG A 86 33.480 11.549 5.411 1.00 24.52 H new ATOM 0 HH11 ARG A 86 31.849 13.096 5.085 1.00 26.77 H new ATOM 0 HH12 ARG A 86 30.714 12.926 3.742 1.00 26.77 H new ATOM 0 HH21 ARG A 86 32.147 9.954 2.586 1.00 26.85 H new ATOM 0 HH22 ARG A 86 30.881 11.161 2.339 1.00 26.85 H new ATOM 1284 N GLU A 87 38.957 10.200 5.395 1.00 11.87 N ATOM 1285 CA GLU A 87 40.139 11.029 5.192 1.00 11.27 C ATOM 1286 C GLU A 87 41.052 10.411 4.138 1.00 10.38 C ATOM 1287 O GLU A 87 41.291 11.004 3.086 1.00 9.38 O ATOM 1288 CB GLU A 87 40.904 11.179 6.508 1.00 11.16 C ATOM 1289 CG GLU A 87 40.082 12.022 7.485 1.00 12.67 C ATOM 1290 CD GLU A 87 39.829 13.405 6.895 1.00 13.78 C ATOM 1291 OE1 GLU A 87 38.675 13.732 6.675 1.00 15.83 O ATOM 1292 OE2 GLU A 87 40.794 14.117 6.672 1.00 16.48 O ATOM 0 H GLU A 87 38.812 9.895 6.358 1.00 11.87 H new ATOM 0 HA GLU A 87 39.816 12.011 4.846 1.00 11.27 H new ATOM 0 HB2 GLU A 87 41.104 10.198 6.938 1.00 11.16 H new ATOM 0 HB3 GLU A 87 41.870 11.651 6.327 1.00 11.16 H new ATOM 0 HG2 GLU A 87 39.133 11.528 7.695 1.00 12.67 H new ATOM 0 HG3 GLU A 87 40.611 12.113 8.434 1.00 12.67 H new ATOM 1299 N ALA A 88 41.557 9.216 4.427 1.00 9.34 N ATOM 1300 CA ALA A 88 42.443 8.526 3.495 1.00 9.01 C ATOM 1301 C ALA A 88 41.853 8.537 2.089 1.00 8.92 C ATOM 1302 O ALA A 88 42.579 8.657 1.102 1.00 8.79 O ATOM 1303 CB ALA A 88 42.656 7.082 3.951 1.00 9.91 C ATOM 0 H ALA A 88 41.370 8.708 5.292 1.00 9.34 H new ATOM 0 HA ALA A 88 43.401 9.046 3.478 1.00 9.01 H new ATOM 0 HB1 ALA A 88 43.318 6.573 3.251 1.00 9.91 H new ATOM 0 HB2 ALA A 88 43.105 7.077 4.944 1.00 9.91 H new ATOM 0 HB3 ALA A 88 41.697 6.566 3.984 1.00 9.91 H new ATOM 1309 N PHE A 89 40.532 8.412 2.006 1.00 7.54 N ATOM 1310 CA PHE A 89 39.854 8.408 0.715 1.00 7.23 C ATOM 1311 C PHE A 89 39.893 9.798 0.087 1.00 8.19 C ATOM 1312 O PHE A 89 40.392 9.974 -1.025 1.00 8.53 O ATOM 1313 CB PHE A 89 38.401 7.966 0.892 1.00 7.14 C ATOM 1314 CG PHE A 89 37.716 7.939 -0.453 1.00 5.05 C ATOM 1315 CD1 PHE A 89 37.650 6.744 -1.180 1.00 4.80 C ATOM 1316 CD2 PHE A 89 37.148 9.108 -0.973 1.00 5.56 C ATOM 1317 CE1 PHE A 89 37.015 6.719 -2.427 1.00 7.76 C ATOM 1318 CE2 PHE A 89 36.513 9.082 -2.220 1.00 2.16 C ATOM 1319 CZ PHE A 89 36.447 7.888 -2.947 1.00 6.19 C ATOM 0 H PHE A 89 39.914 8.313 2.811 1.00 7.54 H new ATOM 0 HA PHE A 89 40.368 7.709 0.055 1.00 7.23 H new ATOM 0 HB2 PHE A 89 38.364 6.978 1.351 1.00 7.14 H new ATOM 0 HB3 PHE A 89 37.881 8.649 1.563 1.00 7.14 H new ATOM 0 HD1 PHE A 89 38.089 5.842 -0.779 1.00 4.80 H new ATOM 0 HD2 PHE A 89 37.200 10.030 -0.412 1.00 5.56 H new ATOM 0 HE1 PHE A 89 36.963 5.798 -2.988 1.00 7.76 H new ATOM 0 HE2 PHE A 89 36.074 9.983 -2.621 1.00 2.16 H new ATOM 0 HZ PHE A 89 35.958 7.868 -3.910 1.00 6.19 H new ATOM 1329 N ARG A 90 39.364 10.781 0.807 1.00 8.03 N ATOM 1330 CA ARG A 90 39.343 12.154 0.315 1.00 8.76 C ATOM 1331 C ARG A 90 40.756 12.631 -0.004 1.00 7.43 C ATOM 1332 O ARG A 90 40.944 13.605 -0.732 1.00 6.92 O ATOM 1333 CB ARG A 90 38.715 13.075 1.363 1.00 8.74 C ATOM 1334 CG ARG A 90 37.213 12.800 1.451 1.00 13.55 C ATOM 1335 CD ARG A 90 36.454 13.846 0.634 1.00 14.45 C ATOM 1336 NE ARG A 90 36.572 15.158 1.259 1.00 17.08 N ATOM 1337 CZ ARG A 90 36.266 16.267 0.593 1.00 17.02 C ATOM 1338 NH1 ARG A 90 36.380 17.430 1.174 1.00 17.58 N ATOM 1339 NH2 ARG A 90 35.852 16.193 -0.643 1.00 17.03 N ATOM 0 H ARG A 90 38.946 10.654 1.729 1.00 8.03 H new ATOM 0 HA ARG A 90 38.748 12.184 -0.598 1.00 8.76 H new ATOM 0 HB2 ARG A 90 39.183 12.911 2.334 1.00 8.74 H new ATOM 0 HB3 ARG A 90 38.889 14.118 1.097 1.00 8.74 H new ATOM 0 HG2 ARG A 90 36.993 11.800 1.076 1.00 13.55 H new ATOM 0 HG3 ARG A 90 36.888 12.829 2.491 1.00 13.55 H new ATOM 0 HD2 ARG A 90 36.850 13.882 -0.381 1.00 14.45 H new ATOM 0 HD3 ARG A 90 35.404 13.565 0.557 1.00 14.45 H new ATOM 0 HE ARG A 90 36.895 15.226 2.224 1.00 17.08 H new ATOM 0 HH11 ARG A 90 36.704 17.488 2.139 1.00 17.58 H new ATOM 0 HH12 ARG A 90 36.145 18.281 0.663 1.00 17.58 H new ATOM 0 HH21 ARG A 90 35.763 15.284 -1.098 1.00 17.03 H new ATOM 0 HH22 ARG A 90 35.617 17.044 -1.154 1.00 17.03 H new ATOM 1353 N VAL A 91 41.747 11.938 0.548 1.00 7.00 N ATOM 1354 CA VAL A 91 43.141 12.300 0.318 1.00 6.43 C ATOM 1355 C VAL A 91 43.598 11.833 -1.061 1.00 6.80 C ATOM 1356 O VAL A 91 44.608 12.306 -1.583 1.00 5.87 O ATOM 1357 CB VAL A 91 44.028 11.669 1.392 1.00 6.46 C ATOM 1358 CG1 VAL A 91 45.495 11.787 0.977 1.00 7.40 C ATOM 1359 CG2 VAL A 91 43.815 12.398 2.720 1.00 7.82 C ATOM 0 H VAL A 91 41.612 11.128 1.154 1.00 7.00 H new ATOM 0 HA VAL A 91 43.227 13.386 0.367 1.00 6.43 H new ATOM 0 HB VAL A 91 43.767 10.617 1.507 1.00 6.46 H new ATOM 0 HG11 VAL A 91 46.127 11.337 1.743 1.00 7.40 H new ATOM 0 HG12 VAL A 91 45.648 11.269 0.030 1.00 7.40 H new ATOM 0 HG13 VAL A 91 45.757 12.839 0.862 1.00 7.40 H new ATOM 0 HG21 VAL A 91 44.447 11.949 3.487 1.00 7.82 H new ATOM 0 HG22 VAL A 91 44.077 13.450 2.604 1.00 7.82 H new ATOM 0 HG23 VAL A 91 42.770 12.315 3.017 1.00 7.82 H new ATOM 1369 N PHE A 92 42.851 10.902 -1.646 0.50 6.77 N ATOM 1370 CA PHE A 92 43.194 10.379 -2.964 0.50 7.12 C ATOM 1371 C PHE A 92 42.426 11.120 -4.054 0.50 7.91 C ATOM 1372 O PHE A 92 43.019 11.638 -5.000 0.50 9.11 O ATOM 1373 CB PHE A 92 42.869 8.886 -3.035 0.50 7.14 C ATOM 1374 CG PHE A 92 43.833 8.117 -2.162 0.50 4.87 C ATOM 1375 CD1 PHE A 92 45.208 8.173 -2.420 0.50 6.96 C ATOM 1376 CD2 PHE A 92 43.351 7.348 -1.096 0.50 4.32 C ATOM 1377 CE1 PHE A 92 46.101 7.460 -1.610 0.50 5.48 C ATOM 1378 CE2 PHE A 92 44.244 6.635 -0.287 0.50 6.74 C ATOM 1379 CZ PHE A 92 45.619 6.691 -0.544 0.50 6.55 C ATOM 0 H PHE A 92 42.011 10.497 -1.233 0.50 6.77 H new ATOM 0 HA PHE A 92 44.262 10.527 -3.124 0.50 7.12 H new ATOM 0 HB2 PHE A 92 41.845 8.710 -2.706 0.50 7.14 H new ATOM 0 HB3 PHE A 92 42.937 8.537 -4.065 0.50 7.14 H new ATOM 0 HD1 PHE A 92 45.580 8.765 -3.243 0.50 6.96 H new ATOM 0 HD2 PHE A 92 42.290 7.305 -0.898 0.50 4.32 H new ATOM 0 HE1 PHE A 92 47.162 7.503 -1.808 0.50 5.48 H new ATOM 0 HE2 PHE A 92 43.872 6.042 0.535 0.50 6.74 H new ATOM 0 HZ PHE A 92 46.308 6.141 0.080 0.50 6.55 H new ATOM 1389 N ASP A 93 41.105 11.163 -3.917 1.00 8.87 N ATOM 1390 CA ASP A 93 40.268 11.841 -4.901 1.00 8.42 C ATOM 1391 C ASP A 93 40.348 13.354 -4.726 1.00 8.51 C ATOM 1392 O ASP A 93 39.380 13.993 -4.315 1.00 8.68 O ATOM 1393 CB ASP A 93 38.815 11.384 -4.755 1.00 9.10 C ATOM 1394 CG ASP A 93 38.150 11.320 -6.126 1.00 10.79 C ATOM 1395 OD1 ASP A 93 36.965 11.599 -6.202 1.00 11.11 O ATOM 1396 OD2 ASP A 93 38.836 10.992 -7.080 1.00 7.32 O ATOM 0 H ASP A 93 40.594 10.741 -3.142 1.00 8.87 H new ATOM 0 HA ASP A 93 40.632 11.584 -5.896 1.00 8.42 H new ATOM 0 HB2 ASP A 93 38.779 10.405 -4.278 1.00 9.10 H new ATOM 0 HB3 ASP A 93 38.271 12.073 -4.109 1.00 9.10 H new ATOM 1401 N LYS A 94 41.510 13.919 -5.033 1.00 9.41 N ATOM 1402 CA LYS A 94 41.711 15.358 -4.901 1.00 9.18 C ATOM 1403 C LYS A 94 40.586 16.132 -5.585 1.00 9.05 C ATOM 1404 O LYS A 94 40.382 17.315 -5.311 1.00 7.14 O ATOM 1405 CB LYS A 94 43.053 15.755 -5.521 1.00 9.58 C ATOM 1406 CG LYS A 94 44.191 15.111 -4.728 1.00 10.67 C ATOM 1407 CD LYS A 94 45.492 15.214 -5.527 1.00 11.93 C ATOM 1408 CE LYS A 94 46.126 16.587 -5.296 1.00 14.25 C ATOM 1409 NZ LYS A 94 46.501 16.727 -3.861 1.00 14.57 N ATOM 0 H LYS A 94 42.324 13.406 -5.373 1.00 9.41 H new ATOM 0 HA LYS A 94 41.708 15.606 -3.840 1.00 9.18 H new ATOM 0 HB2 LYS A 94 43.094 15.434 -6.562 1.00 9.58 H new ATOM 0 HB3 LYS A 94 43.161 16.840 -5.517 1.00 9.58 H new ATOM 0 HG2 LYS A 94 44.303 15.608 -3.764 1.00 10.67 H new ATOM 0 HG3 LYS A 94 43.960 14.066 -4.523 1.00 10.67 H new ATOM 0 HD2 LYS A 94 46.182 14.427 -5.222 1.00 11.93 H new ATOM 0 HD3 LYS A 94 45.292 15.068 -6.588 1.00 11.93 H new ATOM 0 HE2 LYS A 94 47.008 16.703 -5.926 1.00 14.25 H new ATOM 0 HE3 LYS A 94 45.427 17.374 -5.579 1.00 14.25 H new ATOM 0 HZ1 LYS A 94 47.328 17.352 -3.778 1.00 14.57 H new ATOM 0 HZ2 LYS A 94 45.704 17.135 -3.332 1.00 14.57 H new ATOM 0 HZ3 LYS A 94 46.733 15.792 -3.470 1.00 14.57 H new ATOM 1423 N ASP A 95 39.859 15.463 -6.474 1.00 7.02 N ATOM 1424 CA ASP A 95 38.760 16.107 -7.187 1.00 7.13 C ATOM 1425 C ASP A 95 37.493 16.102 -6.337 1.00 6.43 C ATOM 1426 O ASP A 95 36.539 16.828 -6.620 1.00 4.43 O ATOM 1427 CB ASP A 95 38.495 15.380 -8.506 1.00 6.49 C ATOM 1428 CG ASP A 95 39.618 14.388 -8.789 1.00 8.86 C ATOM 1429 OD1 ASP A 95 39.621 13.335 -8.174 1.00 6.70 O ATOM 1430 OD2 ASP A 95 40.459 14.696 -9.618 1.00 10.20 O ATOM 0 H ASP A 95 40.008 14.484 -6.717 1.00 7.02 H new ATOM 0 HA ASP A 95 39.042 17.140 -7.392 1.00 7.13 H new ATOM 0 HB2 ASP A 95 37.540 14.857 -8.457 1.00 6.49 H new ATOM 0 HB3 ASP A 95 38.422 16.101 -9.320 1.00 6.49 H new ATOM 1435 N GLY A 96 37.491 15.278 -5.296 1.00 5.66 N ATOM 1436 CA GLY A 96 36.338 15.181 -4.409 1.00 5.97 C ATOM 1437 C GLY A 96 35.098 14.730 -5.173 1.00 6.08 C ATOM 1438 O GLY A 96 34.002 15.249 -4.962 1.00 6.24 O ATOM 0 H GLY A 96 38.271 14.670 -5.046 1.00 5.66 H new ATOM 0 HA2 GLY A 96 36.551 14.476 -3.605 1.00 5.97 H new ATOM 0 HA3 GLY A 96 36.151 16.148 -3.943 1.00 5.97 H new ATOM 1442 N ASN A 97 35.279 13.757 -6.060 1.00 6.39 N ATOM 1443 CA ASN A 97 34.169 13.238 -6.850 1.00 5.87 C ATOM 1444 C ASN A 97 33.615 11.966 -6.216 1.00 5.88 C ATOM 1445 O ASN A 97 32.750 11.300 -6.784 1.00 5.75 O ATOM 1446 CB ASN A 97 34.638 12.939 -8.275 1.00 5.90 C ATOM 1447 CG ASN A 97 33.516 13.229 -9.266 1.00 4.39 C ATOM 1448 OD1 ASN A 97 33.749 13.266 -10.475 1.00 7.56 O ATOM 1449 ND2 ASN A 97 32.305 13.436 -8.826 1.00 7.07 N ATOM 0 H ASN A 97 36.178 13.314 -6.249 1.00 6.39 H new ATOM 0 HA ASN A 97 33.381 13.991 -6.879 1.00 5.87 H new ATOM 0 HB2 ASN A 97 35.511 13.546 -8.514 1.00 5.90 H new ATOM 0 HB3 ASN A 97 34.944 11.896 -8.354 1.00 5.90 H new ATOM 0 HD21 ASN A 97 31.549 13.629 -9.484 1.00 7.07 H new ATOM 0 HD22 ASN A 97 32.114 13.405 -7.825 1.00 7.07 H new ATOM 1456 N GLY A 98 34.124 11.637 -5.033 1.00 6.14 N ATOM 1457 CA GLY A 98 33.679 10.444 -4.323 1.00 6.32 C ATOM 1458 C GLY A 98 34.200 9.181 -4.999 1.00 7.08 C ATOM 1459 O GLY A 98 33.864 8.067 -4.597 1.00 6.67 O ATOM 0 H GLY A 98 34.841 12.177 -4.548 1.00 6.14 H new ATOM 0 HA2 GLY A 98 34.028 10.479 -3.291 1.00 6.32 H new ATOM 0 HA3 GLY A 98 32.590 10.421 -4.290 1.00 6.32 H new ATOM 1463 N TYR A 99 35.024 9.361 -6.026 0.50 7.47 N ATOM 1464 CA TYR A 99 35.587 8.227 -6.750 0.50 7.60 C ATOM 1465 C TYR A 99 36.907 8.614 -7.408 0.50 7.45 C ATOM 1466 O TYR A 99 37.114 9.770 -7.775 0.50 7.71 O ATOM 1467 CB TYR A 99 34.601 7.746 -7.817 0.50 7.79 C ATOM 1468 CG TYR A 99 34.518 8.766 -8.927 0.50 7.27 C ATOM 1469 CD1 TYR A 99 35.559 8.875 -9.857 0.50 9.00 C ATOM 1470 CD2 TYR A 99 33.400 9.603 -9.026 0.50 6.58 C ATOM 1471 CE1 TYR A 99 35.481 9.820 -10.887 0.50 5.79 C ATOM 1472 CE2 TYR A 99 33.322 10.549 -10.055 0.50 6.90 C ATOM 1473 CZ TYR A 99 34.363 10.657 -10.986 0.50 6.97 C ATOM 1474 OH TYR A 99 34.286 11.589 -12.001 0.50 5.02 O ATOM 0 H TYR A 99 35.315 10.275 -6.374 0.50 7.47 H new ATOM 0 HA TYR A 99 35.772 7.421 -6.040 0.50 7.60 H new ATOM 0 HB2 TYR A 99 34.923 6.784 -8.217 0.50 7.79 H new ATOM 0 HB3 TYR A 99 33.616 7.594 -7.375 0.50 7.79 H new ATOM 0 HD1 TYR A 99 36.422 8.230 -9.780 0.50 9.00 H new ATOM 0 HD2 TYR A 99 32.597 9.519 -8.308 0.50 6.58 H new ATOM 0 HE1 TYR A 99 36.283 9.903 -11.605 0.50 5.79 H new ATOM 0 HE2 TYR A 99 32.460 11.195 -10.131 0.50 6.90 H new ATOM 0 HH TYR A 99 34.118 12.476 -11.619 0.50 5.02 H new ATOM 1484 N ILE A 100 37.798 7.638 -7.555 1.00 6.94 N ATOM 1485 CA ILE A 100 39.097 7.888 -8.171 1.00 6.30 C ATOM 1486 C ILE A 100 39.270 7.033 -9.422 1.00 6.51 C ATOM 1487 O ILE A 100 39.080 5.818 -9.385 1.00 6.57 O ATOM 1488 CB ILE A 100 40.216 7.573 -7.178 1.00 5.54 C ATOM 1489 CG1 ILE A 100 39.754 6.469 -6.222 1.00 9.03 C ATOM 1490 CG2 ILE A 100 40.560 8.831 -6.377 1.00 4.76 C ATOM 1491 CD1 ILE A 100 39.001 7.089 -5.044 1.00 9.29 C ATOM 0 H ILE A 100 37.646 6.674 -7.259 1.00 6.94 H new ATOM 0 HA ILE A 100 39.147 8.940 -8.453 1.00 6.30 H new ATOM 0 HB ILE A 100 41.099 7.238 -7.722 1.00 5.54 H new ATOM 0 HG12 ILE A 100 39.109 5.765 -6.748 1.00 9.03 H new ATOM 0 HG13 ILE A 100 40.614 5.905 -5.860 1.00 9.03 H new ATOM 0 HG21 ILE A 100 41.358 8.605 -5.670 1.00 4.76 H new ATOM 0 HG22 ILE A 100 40.890 9.616 -7.057 1.00 4.76 H new ATOM 0 HG23 ILE A 100 39.678 9.169 -5.833 1.00 4.76 H new ATOM 0 HD11 ILE A 100 38.674 6.301 -4.366 1.00 9.29 H new ATOM 0 HD12 ILE A 100 39.660 7.775 -4.512 1.00 9.29 H new ATOM 0 HD13 ILE A 100 38.132 7.633 -5.414 1.00 9.29 H new ATOM 1503 N SER A 101 39.632 7.676 -10.527 1.00 6.74 N ATOM 1504 CA SER A 101 39.827 6.962 -11.784 1.00 4.65 C ATOM 1505 C SER A 101 41.268 6.476 -11.909 1.00 3.97 C ATOM 1506 O SER A 101 42.187 7.079 -11.356 1.00 7.02 O ATOM 1507 CB SER A 101 39.492 7.878 -12.961 1.00 3.29 C ATOM 1508 OG SER A 101 40.650 8.620 -13.323 1.00 2.08 O ATOM 0 H SER A 101 39.795 8.682 -10.579 1.00 6.74 H new ATOM 0 HA SER A 101 39.163 6.098 -11.795 1.00 4.65 H new ATOM 0 HB2 SER A 101 39.144 7.288 -13.809 1.00 3.29 H new ATOM 0 HB3 SER A 101 38.682 8.555 -12.691 1.00 3.29 H new ATOM 0 HG SER A 101 40.439 9.207 -14.079 1.00 2.08 H new ATOM 1514 N ALA A 102 41.455 5.382 -12.640 1.00 4.02 N ATOM 1515 CA ALA A 102 42.787 4.820 -12.832 1.00 4.82 C ATOM 1516 C ALA A 102 43.802 5.926 -13.105 1.00 5.07 C ATOM 1517 O ALA A 102 45.007 5.728 -12.947 1.00 6.41 O ATOM 1518 CB ALA A 102 42.774 3.836 -14.003 1.00 4.55 C ATOM 0 H ALA A 102 40.706 4.870 -13.106 1.00 4.02 H new ATOM 0 HA ALA A 102 43.075 4.296 -11.920 1.00 4.82 H new ATOM 0 HB1 ALA A 102 43.772 3.420 -14.140 1.00 4.55 H new ATOM 0 HB2 ALA A 102 42.071 3.030 -13.793 1.00 4.55 H new ATOM 0 HB3 ALA A 102 42.469 4.356 -14.911 1.00 4.55 H new ATOM 1524 N ALA A 103 43.308 7.089 -13.516 1.00 4.46 N ATOM 1525 CA ALA A 103 44.183 8.218 -13.808 1.00 3.90 C ATOM 1526 C ALA A 103 44.529 8.974 -12.529 1.00 3.42 C ATOM 1527 O ALA A 103 45.616 9.537 -12.404 1.00 5.01 O ATOM 1528 CB ALA A 103 43.500 9.167 -14.795 1.00 4.16 C ATOM 0 H ALA A 103 42.314 7.274 -13.654 1.00 4.46 H new ATOM 0 HA ALA A 103 45.103 7.835 -14.250 1.00 3.90 H new ATOM 0 HB1 ALA A 103 44.160 10.008 -15.008 1.00 4.16 H new ATOM 0 HB2 ALA A 103 43.281 8.634 -15.720 1.00 4.16 H new ATOM 0 HB3 ALA A 103 42.571 9.536 -14.361 1.00 4.16 H new ATOM 1534 N GLU A 104 43.596 8.984 -11.583 1.00 2.38 N ATOM 1535 CA GLU A 104 43.812 9.675 -10.317 1.00 2.94 C ATOM 1536 C GLU A 104 44.548 8.773 -9.331 1.00 3.92 C ATOM 1537 O GLU A 104 45.590 9.146 -8.791 1.00 4.76 O ATOM 1538 CB GLU A 104 42.470 10.099 -9.718 1.00 4.89 C ATOM 1539 CG GLU A 104 41.779 11.087 -10.660 1.00 2.54 C ATOM 1540 CD GLU A 104 40.283 11.127 -10.367 1.00 5.28 C ATOM 1541 OE1 GLU A 104 39.514 11.145 -11.315 1.00 6.84 O ATOM 1542 OE2 GLU A 104 39.928 11.140 -9.200 1.00 5.84 O ATOM 0 H GLU A 104 42.689 8.525 -11.667 1.00 2.38 H new ATOM 0 HA GLU A 104 44.421 10.559 -10.507 1.00 2.94 H new ATOM 0 HB2 GLU A 104 41.837 9.225 -9.562 1.00 4.89 H new ATOM 0 HB3 GLU A 104 42.625 10.559 -8.742 1.00 4.89 H new ATOM 0 HG2 GLU A 104 42.209 12.081 -10.537 1.00 2.54 H new ATOM 0 HG3 GLU A 104 41.947 10.793 -11.696 1.00 2.54 H new ATOM 1549 N LEU A 105 43.999 7.585 -9.100 1.00 4.80 N ATOM 1550 CA LEU A 105 44.612 6.637 -8.175 1.00 3.86 C ATOM 1551 C LEU A 105 46.092 6.455 -8.494 1.00 4.38 C ATOM 1552 O LEU A 105 46.945 6.565 -7.612 1.00 3.99 O ATOM 1553 CB LEU A 105 43.899 5.286 -8.264 1.00 3.53 C ATOM 1554 CG LEU A 105 44.461 4.341 -7.201 1.00 4.12 C ATOM 1555 CD1 LEU A 105 44.221 4.934 -5.811 1.00 4.73 C ATOM 1556 CD2 LEU A 105 43.760 2.985 -7.304 1.00 4.99 C ATOM 0 H LEU A 105 43.137 7.257 -9.536 1.00 4.80 H new ATOM 0 HA LEU A 105 44.517 7.033 -7.164 1.00 3.86 H new ATOM 0 HB2 LEU A 105 42.827 5.418 -8.118 1.00 3.53 H new ATOM 0 HB3 LEU A 105 44.035 4.856 -9.256 1.00 3.53 H new ATOM 0 HG LEU A 105 45.531 4.211 -7.360 1.00 4.12 H new ATOM 0 HD11 LEU A 105 44.622 4.260 -5.054 1.00 4.73 H new ATOM 0 HD12 LEU A 105 44.719 5.901 -5.737 1.00 4.73 H new ATOM 0 HD13 LEU A 105 43.151 5.064 -5.651 1.00 4.73 H new ATOM 0 HD21 LEU A 105 44.160 2.310 -6.547 1.00 4.99 H new ATOM 0 HD22 LEU A 105 42.690 3.116 -7.145 1.00 4.99 H new ATOM 0 HD23 LEU A 105 43.931 2.561 -8.294 1.00 4.99 H new ATOM 1568 N ARG A 106 46.391 6.174 -9.758 1.00 3.11 N ATOM 1569 CA ARG A 106 47.773 5.978 -10.180 1.00 5.25 C ATOM 1570 C ARG A 106 48.564 7.275 -10.050 1.00 4.62 C ATOM 1571 O ARG A 106 49.707 7.274 -9.594 1.00 4.29 O ATOM 1572 CB ARG A 106 47.813 5.498 -11.632 1.00 5.02 C ATOM 1573 CG ARG A 106 49.264 5.450 -12.115 1.00 5.93 C ATOM 1574 CD ARG A 106 49.323 4.786 -13.491 1.00 8.89 C ATOM 1575 NE ARG A 106 50.709 4.635 -13.920 1.00 11.71 N ATOM 1576 CZ ARG A 106 51.432 5.687 -14.288 1.00 13.93 C ATOM 1577 NH1 ARG A 106 52.670 5.527 -14.668 1.00 15.02 N ATOM 1578 NH2 ARG A 106 50.905 6.881 -14.270 1.00 15.24 N ATOM 0 H ARG A 106 45.701 6.077 -10.503 1.00 3.11 H new ATOM 0 HA ARG A 106 48.225 5.224 -9.535 1.00 5.25 H new ATOM 0 HB2 ARG A 106 47.359 4.510 -11.712 1.00 5.02 H new ATOM 0 HB3 ARG A 106 47.230 6.168 -12.264 1.00 5.02 H new ATOM 0 HG2 ARG A 106 49.674 6.459 -12.169 1.00 5.93 H new ATOM 0 HG3 ARG A 106 49.876 4.894 -11.405 1.00 5.93 H new ATOM 0 HD2 ARG A 106 48.838 3.810 -13.453 1.00 8.89 H new ATOM 0 HD3 ARG A 106 48.774 5.387 -14.216 1.00 8.89 H new ATOM 0 HE ARG A 106 51.130 3.706 -13.938 1.00 11.71 H new ATOM 0 HH11 ARG A 106 53.083 4.594 -14.682 1.00 15.02 H new ATOM 0 HH12 ARG A 106 53.225 6.335 -14.951 1.00 15.02 H new ATOM 0 HH21 ARG A 106 49.937 7.007 -13.973 1.00 15.24 H new ATOM 0 HH22 ARG A 106 51.461 7.688 -14.553 1.00 15.24 H new ATOM 1592 N HIS A 107 47.947 8.381 -10.453 1.00 5.92 N ATOM 1593 CA HIS A 107 48.602 9.681 -10.377 1.00 8.12 C ATOM 1594 C HIS A 107 49.163 9.919 -8.979 1.00 8.85 C ATOM 1595 O HIS A 107 50.283 10.407 -8.823 1.00 9.30 O ATOM 1596 CB HIS A 107 47.605 10.789 -10.724 1.00 10.37 C ATOM 1597 CG HIS A 107 47.832 11.246 -12.139 1.00 10.94 C ATOM 1598 ND1 HIS A 107 48.153 10.363 -13.159 1.00 14.82 N ATOM 1599 CD2 HIS A 107 47.788 12.489 -12.720 1.00 14.65 C ATOM 1600 CE1 HIS A 107 48.289 11.081 -14.289 1.00 15.69 C ATOM 1601 NE2 HIS A 107 48.076 12.383 -14.077 1.00 15.65 N ATOM 0 H HIS A 107 47.001 8.403 -10.833 1.00 5.92 H new ATOM 0 HA HIS A 107 49.424 9.694 -11.092 1.00 8.12 H new ATOM 0 HB2 HIS A 107 46.585 10.423 -10.608 1.00 10.37 H new ATOM 0 HB3 HIS A 107 47.723 11.627 -10.037 1.00 10.37 H new ATOM 0 HD2 HIS A 107 47.564 13.410 -12.202 1.00 14.65 H new ATOM 0 HE1 HIS A 107 48.540 10.657 -15.250 1.00 15.69 H new ATOM 0 HE2 HIS A 107 48.116 13.137 -14.763 1.00 15.65 H new ATOM 1610 N VAL A 108 48.378 9.572 -7.964 1.00 9.44 N ATOM 1611 CA VAL A 108 48.807 9.753 -6.582 1.00 9.72 C ATOM 1612 C VAL A 108 49.779 8.651 -6.172 1.00 9.70 C ATOM 1613 O VAL A 108 50.912 8.925 -5.775 1.00 10.80 O ATOM 1614 CB VAL A 108 47.593 9.736 -5.653 1.00 9.77 C ATOM 1615 CG1 VAL A 108 48.060 9.579 -4.204 1.00 8.84 C ATOM 1616 CG2 VAL A 108 46.821 11.049 -5.799 1.00 12.28 C ATOM 0 H VAL A 108 47.448 9.167 -8.071 1.00 9.44 H new ATOM 0 HA VAL A 108 49.313 10.715 -6.502 1.00 9.72 H new ATOM 0 HB VAL A 108 46.945 8.901 -5.918 1.00 9.77 H new ATOM 0 HG11 VAL A 108 47.194 9.567 -3.542 1.00 8.84 H new ATOM 0 HG12 VAL A 108 48.611 8.644 -4.098 1.00 8.84 H new ATOM 0 HG13 VAL A 108 48.708 10.414 -3.938 1.00 8.84 H new ATOM 0 HG21 VAL A 108 45.955 11.038 -5.137 1.00 12.28 H new ATOM 0 HG22 VAL A 108 47.470 11.884 -5.534 1.00 12.28 H new ATOM 0 HG23 VAL A 108 46.487 11.162 -6.831 1.00 12.28 H new ATOM 1626 N MET A 109 49.328 7.405 -6.269 0.50 9.38 N ATOM 1627 CA MET A 109 50.166 6.268 -5.904 0.50 9.31 C ATOM 1628 C MET A 109 51.441 6.248 -6.742 0.50 9.50 C ATOM 1629 O MET A 109 52.398 5.547 -6.415 0.50 9.53 O ATOM 1630 CB MET A 109 49.395 4.963 -6.113 0.50 8.72 C ATOM 1631 CG MET A 109 48.397 4.771 -4.970 0.50 8.81 C ATOM 1632 SD MET A 109 47.475 3.235 -5.226 0.50 6.87 S ATOM 1633 CE MET A 109 48.107 2.348 -3.781 0.50 6.63 C ATOM 0 H MET A 109 48.394 7.157 -6.595 0.50 9.38 H new ATOM 0 HA MET A 109 50.439 6.365 -4.853 0.50 9.31 H new ATOM 0 HB2 MET A 109 48.870 4.987 -7.068 0.50 8.72 H new ATOM 0 HB3 MET A 109 50.087 4.122 -6.151 0.50 8.72 H new ATOM 0 HG2 MET A 109 48.923 4.737 -4.016 0.50 8.81 H new ATOM 0 HG3 MET A 109 47.711 5.617 -4.926 0.50 8.81 H new ATOM 0 HE1 MET A 109 47.661 1.354 -3.740 0.50 6.63 H new ATOM 0 HE2 MET A 109 49.191 2.257 -3.855 0.50 6.63 H new ATOM 0 HE3 MET A 109 47.850 2.898 -2.876 0.50 6.63 H new ATOM 1643 N THR A 110 51.445 7.020 -7.824 1.00 10.17 N ATOM 1644 CA THR A 110 52.609 7.080 -8.702 1.00 11.15 C ATOM 1645 C THR A 110 53.670 8.011 -8.125 1.00 11.87 C ATOM 1646 O THR A 110 54.856 7.682 -8.111 1.00 11.30 O ATOM 1647 CB THR A 110 52.192 7.574 -10.088 1.00 11.33 C ATOM 1648 OG1 THR A 110 51.476 6.547 -10.760 1.00 9.45 O ATOM 1649 CG2 THR A 110 53.437 7.943 -10.896 1.00 11.67 C ATOM 0 H THR A 110 50.663 7.608 -8.113 1.00 10.17 H new ATOM 0 HA THR A 110 53.030 6.078 -8.785 1.00 11.15 H new ATOM 0 HB THR A 110 51.555 8.453 -9.984 1.00 11.33 H new ATOM 0 HG1 THR A 110 50.701 6.283 -10.222 1.00 9.45 H new ATOM 0 HG21 THR A 110 53.139 8.295 -11.884 1.00 11.67 H new ATOM 0 HG22 THR A 110 53.985 8.731 -10.380 1.00 11.67 H new ATOM 0 HG23 THR A 110 54.076 7.066 -11.001 1.00 11.67 H new ATOM 1657 N ASN A 111 53.236 9.174 -7.651 1.00 13.42 N ATOM 1658 CA ASN A 111 54.160 10.145 -7.076 1.00 14.75 C ATOM 1659 C ASN A 111 54.660 9.669 -5.716 1.00 15.38 C ATOM 1660 O ASN A 111 55.582 10.251 -5.143 1.00 14.61 O ATOM 1661 CB ASN A 111 53.466 11.499 -6.921 1.00 15.43 C ATOM 1662 CG ASN A 111 54.503 12.596 -6.707 1.00 16.39 C ATOM 1663 OD1 ASN A 111 55.695 12.376 -6.925 1.00 19.90 O ATOM 1664 ND2 ASN A 111 54.120 13.772 -6.291 1.00 21.65 N ATOM 0 H ASN A 111 52.259 9.466 -7.653 1.00 13.42 H new ATOM 0 HA ASN A 111 55.012 10.249 -7.748 1.00 14.75 H new ATOM 0 HB2 ASN A 111 52.873 11.716 -7.809 1.00 15.43 H new ATOM 0 HB3 ASN A 111 52.777 11.469 -6.077 1.00 15.43 H new ATOM 0 HD21 ASN A 111 54.808 14.511 -6.146 1.00 21.65 H new ATOM 0 HD22 ASN A 111 53.132 13.953 -6.111 1.00 21.65 H new ATOM 1671 N LEU A 112 54.046 8.607 -5.204 1.00 15.51 N ATOM 1672 CA LEU A 112 54.437 8.061 -3.909 1.00 17.09 C ATOM 1673 C LEU A 112 55.947 7.844 -3.854 1.00 17.64 C ATOM 1674 O LEU A 112 56.534 7.774 -2.775 1.00 19.20 O ATOM 1675 CB LEU A 112 53.717 6.731 -3.664 1.00 17.55 C ATOM 1676 CG LEU A 112 52.754 6.877 -2.484 1.00 18.70 C ATOM 1677 CD1 LEU A 112 53.541 7.243 -1.225 1.00 19.41 C ATOM 1678 CD2 LEU A 112 51.739 7.981 -2.789 1.00 19.55 C ATOM 0 H LEU A 112 53.282 8.111 -5.662 1.00 15.51 H new ATOM 0 HA LEU A 112 54.155 8.774 -3.134 1.00 17.09 H new ATOM 0 HB2 LEU A 112 53.170 6.432 -4.558 1.00 17.55 H new ATOM 0 HB3 LEU A 112 54.444 5.945 -3.458 1.00 17.55 H new ATOM 0 HG LEU A 112 52.230 5.935 -2.324 1.00 18.70 H new ATOM 0 HD11 LEU A 112 52.855 7.347 -0.384 1.00 19.41 H new ATOM 0 HD12 LEU A 112 54.265 6.458 -1.007 1.00 19.41 H new ATOM 0 HD13 LEU A 112 54.065 8.185 -1.385 1.00 19.41 H new ATOM 0 HD21 LEU A 112 51.052 8.086 -1.949 1.00 19.55 H new ATOM 0 HD22 LEU A 112 52.263 8.923 -2.949 1.00 19.55 H new ATOM 0 HD23 LEU A 112 51.178 7.721 -3.686 1.00 19.55 H new ATOM 1690 N GLY A 113 56.567 7.735 -5.024 1.00 18.31 N ATOM 1691 CA GLY A 113 58.008 7.522 -5.097 1.00 18.73 C ATOM 1692 C GLY A 113 58.325 6.165 -5.715 1.00 19.38 C ATOM 1693 O GLY A 113 59.490 5.805 -5.885 1.00 19.66 O ATOM 0 H GLY A 113 56.099 7.790 -5.928 1.00 18.31 H new ATOM 0 HA2 GLY A 113 58.467 8.313 -5.690 1.00 18.73 H new ATOM 0 HA3 GLY A 113 58.440 7.581 -4.098 1.00 18.73 H new ATOM 1697 N GLU A 114 57.279 5.419 -6.057 1.00 20.03 N ATOM 1698 CA GLU A 114 57.452 4.105 -6.665 1.00 20.93 C ATOM 1699 C GLU A 114 56.702 4.035 -7.991 1.00 21.67 C ATOM 1700 O GLU A 114 55.538 4.426 -8.074 1.00 21.82 O ATOM 1701 CB GLU A 114 56.931 3.019 -5.722 1.00 21.58 C ATOM 1702 CG GLU A 114 57.594 1.683 -6.064 1.00 22.38 C ATOM 1703 CD GLU A 114 56.964 0.563 -5.244 1.00 22.95 C ATOM 1704 OE1 GLU A 114 57.003 0.652 -4.028 1.00 21.15 O ATOM 1705 OE2 GLU A 114 56.452 -0.368 -5.844 1.00 25.55 O ATOM 0 H GLU A 114 56.308 5.700 -5.924 1.00 20.03 H new ATOM 0 HA GLU A 114 58.514 3.943 -6.848 1.00 20.93 H new ATOM 0 HB2 GLU A 114 57.144 3.288 -4.688 1.00 21.58 H new ATOM 0 HB3 GLU A 114 55.848 2.933 -5.812 1.00 21.58 H new ATOM 0 HG2 GLU A 114 57.481 1.474 -7.128 1.00 22.38 H new ATOM 0 HG3 GLU A 114 58.664 1.736 -5.861 1.00 22.38 H new ATOM 1712 N LYS A 115 57.370 3.538 -9.027 1.00 21.94 N ATOM 1713 CA LYS A 115 56.746 3.428 -10.340 1.00 21.97 C ATOM 1714 C LYS A 115 55.883 2.173 -10.421 1.00 21.51 C ATOM 1715 O LYS A 115 56.386 1.055 -10.320 1.00 21.04 O ATOM 1716 CB LYS A 115 57.820 3.381 -11.427 1.00 22.09 C ATOM 1717 CG LYS A 115 58.274 4.804 -11.759 1.00 22.07 C ATOM 1718 CD LYS A 115 59.617 4.755 -12.490 1.00 22.17 C ATOM 1719 CE LYS A 115 59.462 3.966 -13.792 1.00 22.19 C ATOM 1720 NZ LYS A 115 60.733 4.032 -14.567 1.00 23.26 N ATOM 0 H LYS A 115 58.334 3.208 -8.984 1.00 21.94 H new ATOM 0 HA LYS A 115 56.112 4.301 -10.493 1.00 21.97 H new ATOM 0 HB2 LYS A 115 58.669 2.787 -11.089 1.00 22.09 H new ATOM 0 HB3 LYS A 115 57.427 2.896 -12.320 1.00 22.09 H new ATOM 0 HG2 LYS A 115 57.528 5.299 -12.380 1.00 22.07 H new ATOM 0 HG3 LYS A 115 58.367 5.390 -10.845 1.00 22.07 H new ATOM 0 HD2 LYS A 115 59.963 5.766 -12.704 1.00 22.17 H new ATOM 0 HD3 LYS A 115 60.371 4.287 -11.857 1.00 22.17 H new ATOM 0 HE2 LYS A 115 59.211 2.928 -13.573 1.00 22.19 H new ATOM 0 HE3 LYS A 115 58.642 4.375 -14.382 1.00 22.19 H new ATOM 0 HZ1 LYS A 115 60.628 3.496 -15.452 1.00 23.26 H new ATOM 0 HZ2 LYS A 115 60.954 5.024 -14.787 1.00 23.26 H new ATOM 0 HZ3 LYS A 115 61.505 3.622 -14.003 1.00 23.26 H new ATOM 1734 N LEU A 116 54.581 2.368 -10.604 1.00 20.82 N ATOM 1735 CA LEU A 116 53.657 1.244 -10.698 1.00 20.59 C ATOM 1736 C LEU A 116 53.205 1.043 -12.141 1.00 20.06 C ATOM 1737 O LEU A 116 52.829 1.996 -12.822 1.00 20.89 O ATOM 1738 CB LEU A 116 52.438 1.494 -9.809 1.00 21.31 C ATOM 1739 CG LEU A 116 52.587 0.708 -8.505 1.00 21.00 C ATOM 1740 CD1 LEU A 116 51.686 1.321 -7.432 1.00 23.07 C ATOM 1741 CD2 LEU A 116 52.180 -0.749 -8.740 1.00 20.55 C ATOM 0 H LEU A 116 54.145 3.286 -10.690 1.00 20.82 H new ATOM 0 HA LEU A 116 54.172 0.344 -10.362 1.00 20.59 H new ATOM 0 HB2 LEU A 116 52.343 2.559 -9.595 1.00 21.31 H new ATOM 0 HB3 LEU A 116 51.528 1.190 -10.327 1.00 21.31 H new ATOM 0 HG LEU A 116 53.625 0.748 -8.174 1.00 21.00 H new ATOM 0 HD11 LEU A 116 51.793 0.760 -6.503 1.00 23.07 H new ATOM 0 HD12 LEU A 116 51.974 2.359 -7.264 1.00 23.07 H new ATOM 0 HD13 LEU A 116 50.648 1.281 -7.762 1.00 23.07 H new ATOM 0 HD21 LEU A 116 52.286 -1.311 -7.812 1.00 20.55 H new ATOM 0 HD22 LEU A 116 51.142 -0.788 -9.072 1.00 20.55 H new ATOM 0 HD23 LEU A 116 52.822 -1.187 -9.504 1.00 20.55 H new ATOM 1753 N THR A 117 53.246 -0.204 -12.600 1.00 19.20 N ATOM 1754 CA THR A 117 52.839 -0.517 -13.965 1.00 18.69 C ATOM 1755 C THR A 117 51.333 -0.339 -14.130 1.00 18.35 C ATOM 1756 O THR A 117 50.567 -0.543 -13.188 1.00 17.96 O ATOM 1757 CB THR A 117 53.224 -1.958 -14.307 1.00 18.94 C ATOM 1758 OG1 THR A 117 52.718 -2.832 -13.307 1.00 18.27 O ATOM 1759 CG2 THR A 117 54.748 -2.080 -14.370 1.00 19.41 C ATOM 0 H THR A 117 53.554 -1.008 -12.052 1.00 19.20 H new ATOM 0 HA THR A 117 53.351 0.167 -14.642 1.00 18.69 H new ATOM 0 HB THR A 117 52.800 -2.228 -15.274 1.00 18.94 H new ATOM 0 HG1 THR A 117 53.427 -3.445 -13.019 1.00 18.27 H new ATOM 0 HG21 THR A 117 55.021 -3.107 -14.614 1.00 19.41 H new ATOM 0 HG22 THR A 117 55.135 -1.410 -15.137 1.00 19.41 H new ATOM 0 HG23 THR A 117 55.175 -1.811 -13.404 1.00 19.41 H new ATOM 1767 N ASP A 118 50.915 0.043 -15.333 1.00 17.78 N ATOM 1768 CA ASP A 118 49.498 0.246 -15.609 1.00 17.28 C ATOM 1769 C ASP A 118 48.741 -1.075 -15.515 1.00 16.94 C ATOM 1770 O ASP A 118 47.739 -1.177 -14.807 1.00 16.90 O ATOM 1771 CB ASP A 118 49.318 0.841 -17.007 1.00 17.45 C ATOM 1772 CG ASP A 118 47.878 1.307 -17.194 1.00 17.24 C ATOM 1773 OD1 ASP A 118 47.495 2.261 -16.537 1.00 16.95 O ATOM 1774 OD2 ASP A 118 47.180 0.702 -17.991 1.00 18.08 O ATOM 0 H ASP A 118 51.532 0.217 -16.126 1.00 17.78 H new ATOM 0 HA ASP A 118 49.097 0.936 -14.867 1.00 17.28 H new ATOM 0 HB2 ASP A 118 50.001 1.679 -17.145 1.00 17.45 H new ATOM 0 HB3 ASP A 118 49.569 0.097 -17.763 1.00 17.45 H new ATOM 1779 N GLU A 119 49.226 -2.082 -16.233 1.00 16.47 N ATOM 1780 CA GLU A 119 48.586 -3.392 -16.222 1.00 16.08 C ATOM 1781 C GLU A 119 48.230 -3.801 -14.796 1.00 15.00 C ATOM 1782 O GLU A 119 47.325 -4.606 -14.579 1.00 14.51 O ATOM 1783 CB GLU A 119 49.522 -4.436 -16.835 1.00 16.34 C ATOM 1784 CG GLU A 119 48.760 -5.746 -17.044 1.00 17.65 C ATOM 1785 CD GLU A 119 49.473 -6.603 -18.083 1.00 18.58 C ATOM 1786 OE1 GLU A 119 50.691 -6.664 -18.038 1.00 18.43 O ATOM 1787 OE2 GLU A 119 48.792 -7.187 -18.909 1.00 20.16 O ATOM 0 H GLU A 119 50.054 -2.018 -16.826 1.00 16.47 H new ATOM 0 HA GLU A 119 47.671 -3.334 -16.812 1.00 16.08 H new ATOM 0 HB2 GLU A 119 49.913 -4.075 -17.786 1.00 16.34 H new ATOM 0 HB3 GLU A 119 50.378 -4.601 -16.180 1.00 16.34 H new ATOM 0 HG2 GLU A 119 48.687 -6.288 -16.101 1.00 17.65 H new ATOM 0 HG3 GLU A 119 47.742 -5.536 -17.371 1.00 17.65 H new ATOM 1794 N GLU A 120 48.947 -3.239 -13.829 1.00 14.19 N ATOM 1795 CA GLU A 120 48.697 -3.551 -12.426 1.00 13.46 C ATOM 1796 C GLU A 120 47.583 -2.669 -11.872 1.00 13.34 C ATOM 1797 O GLU A 120 46.632 -3.162 -11.264 1.00 13.03 O ATOM 1798 CB GLU A 120 49.972 -3.340 -11.608 1.00 13.02 C ATOM 1799 CG GLU A 120 51.001 -4.409 -11.982 1.00 11.76 C ATOM 1800 CD GLU A 120 52.317 -4.141 -11.259 1.00 11.68 C ATOM 1801 OE1 GLU A 120 52.267 -3.686 -10.128 1.00 7.04 O ATOM 1802 OE2 GLU A 120 53.355 -4.394 -11.848 1.00 10.77 O ATOM 0 H GLU A 120 49.700 -2.570 -13.988 1.00 14.19 H new ATOM 0 HA GLU A 120 48.389 -4.594 -12.355 1.00 13.46 H new ATOM 0 HB2 GLU A 120 50.378 -2.347 -11.798 1.00 13.02 H new ATOM 0 HB3 GLU A 120 49.747 -3.394 -10.543 1.00 13.02 H new ATOM 0 HG2 GLU A 120 50.625 -5.397 -11.716 1.00 11.76 H new ATOM 0 HG3 GLU A 120 51.162 -4.409 -13.060 1.00 11.76 H new ATOM 1809 N VAL A 121 47.707 -1.363 -12.085 1.00 13.10 N ATOM 1810 CA VAL A 121 46.703 -0.422 -11.602 1.00 12.97 C ATOM 1811 C VAL A 121 45.386 -0.615 -12.346 1.00 12.84 C ATOM 1812 O VAL A 121 44.361 -0.930 -11.742 1.00 13.10 O ATOM 1813 CB VAL A 121 47.196 1.013 -11.798 1.00 13.08 C ATOM 1814 CG1 VAL A 121 46.144 1.990 -11.269 1.00 12.21 C ATOM 1815 CG2 VAL A 121 48.505 1.210 -11.031 1.00 14.97 C ATOM 0 H VAL A 121 48.486 -0.935 -12.585 1.00 13.10 H new ATOM 0 HA VAL A 121 46.538 -0.608 -10.541 1.00 12.97 H new ATOM 0 HB VAL A 121 47.364 1.199 -12.859 1.00 13.08 H new ATOM 0 HG11 VAL A 121 46.495 3.013 -11.408 1.00 12.21 H new ATOM 0 HG12 VAL A 121 45.210 1.849 -11.813 1.00 12.21 H new ATOM 0 HG13 VAL A 121 45.977 1.805 -10.208 1.00 12.21 H new ATOM 0 HG21 VAL A 121 48.858 2.232 -11.170 1.00 14.97 H new ATOM 0 HG22 VAL A 121 48.336 1.025 -9.970 1.00 14.97 H new ATOM 0 HG23 VAL A 121 49.255 0.513 -11.406 1.00 14.97 H new ATOM 1825 N ASP A 122 45.421 -0.426 -13.661 1.00 13.33 N ATOM 1826 CA ASP A 122 44.223 -0.583 -14.478 1.00 13.39 C ATOM 1827 C ASP A 122 43.533 -1.907 -14.168 1.00 12.24 C ATOM 1828 O ASP A 122 42.343 -1.939 -13.856 1.00 11.31 O ATOM 1829 CB ASP A 122 44.592 -0.532 -15.962 1.00 14.42 C ATOM 1830 CG ASP A 122 43.331 -0.608 -16.815 1.00 16.19 C ATOM 1831 OD1 ASP A 122 43.372 -0.139 -17.941 1.00 20.12 O ATOM 1832 OD2 ASP A 122 42.343 -1.134 -16.331 1.00 19.51 O ATOM 0 H ASP A 122 46.259 -0.166 -14.181 1.00 13.33 H new ATOM 0 HA ASP A 122 43.539 0.233 -14.246 1.00 13.39 H new ATOM 0 HB2 ASP A 122 45.133 0.389 -16.179 1.00 14.42 H new ATOM 0 HB3 ASP A 122 45.258 -1.359 -16.208 1.00 14.42 H new ATOM 1837 N GLU A 123 44.288 -2.997 -14.256 1.00 11.13 N ATOM 1838 CA GLU A 123 43.737 -4.319 -13.982 1.00 10.29 C ATOM 1839 C GLU A 123 43.090 -4.355 -12.601 1.00 8.90 C ATOM 1840 O GLU A 123 41.934 -4.752 -12.458 1.00 7.96 O ATOM 1841 CB GLU A 123 44.845 -5.372 -14.056 1.00 10.26 C ATOM 1842 CG GLU A 123 44.253 -6.757 -13.791 1.00 12.28 C ATOM 1843 CD GLU A 123 45.176 -7.834 -14.351 1.00 13.69 C ATOM 1844 OE1 GLU A 123 46.236 -8.033 -13.782 1.00 14.38 O ATOM 1845 OE2 GLU A 123 44.809 -8.444 -15.342 1.00 15.72 O ATOM 0 H GLU A 123 45.275 -2.992 -14.513 1.00 11.13 H new ATOM 0 HA GLU A 123 42.977 -4.538 -14.732 1.00 10.29 H new ATOM 0 HB2 GLU A 123 45.318 -5.349 -15.038 1.00 10.26 H new ATOM 0 HB3 GLU A 123 45.621 -5.151 -13.323 1.00 10.26 H new ATOM 0 HG2 GLU A 123 44.116 -6.904 -12.720 1.00 12.28 H new ATOM 0 HG3 GLU A 123 43.268 -6.835 -14.252 1.00 12.28 H new ATOM 1852 N MET A 124 43.844 -3.939 -11.589 0.50 8.41 N ATOM 1853 CA MET A 124 43.332 -3.928 -10.223 0.50 7.66 C ATOM 1854 C MET A 124 41.934 -3.318 -10.179 0.50 7.37 C ATOM 1855 O MET A 124 40.973 -3.974 -9.777 0.50 7.04 O ATOM 1856 CB MET A 124 44.270 -3.124 -9.320 0.50 7.67 C ATOM 1857 CG MET A 124 43.935 -3.407 -7.855 0.50 7.34 C ATOM 1858 SD MET A 124 44.267 -5.147 -7.484 0.50 9.25 S ATOM 1859 CE MET A 124 43.981 -5.057 -5.700 0.50 9.75 C ATOM 0 H MET A 124 44.804 -3.608 -11.687 0.50 8.41 H new ATOM 0 HA MET A 124 43.278 -4.957 -9.867 0.50 7.66 H new ATOM 0 HB2 MET A 124 45.307 -3.391 -9.525 0.50 7.67 H new ATOM 0 HB3 MET A 124 44.168 -2.059 -9.528 0.50 7.67 H new ATOM 0 HG2 MET A 124 44.530 -2.766 -7.205 0.50 7.34 H new ATOM 0 HG3 MET A 124 42.888 -3.176 -7.659 0.50 7.34 H new ATOM 0 HE1 MET A 124 44.134 -6.041 -5.257 0.50 9.75 H new ATOM 0 HE2 MET A 124 44.678 -4.346 -5.255 0.50 9.75 H new ATOM 0 HE3 MET A 124 42.959 -4.729 -5.511 0.50 9.75 H new ATOM 1869 N ILE A 125 41.829 -2.061 -10.596 1.00 7.50 N ATOM 1870 CA ILE A 125 40.543 -1.373 -10.599 1.00 8.03 C ATOM 1871 C ILE A 125 39.486 -2.217 -11.304 1.00 8.46 C ATOM 1872 O ILE A 125 38.420 -2.483 -10.750 1.00 9.97 O ATOM 1873 CB ILE A 125 40.674 -0.023 -11.305 1.00 9.03 C ATOM 1874 CG1 ILE A 125 41.645 0.866 -10.525 1.00 8.72 C ATOM 1875 CG2 ILE A 125 39.305 0.655 -11.372 1.00 8.18 C ATOM 1876 CD1 ILE A 125 41.895 2.158 -11.305 1.00 11.99 C ATOM 0 H ILE A 125 42.612 -1.501 -10.934 1.00 7.50 H new ATOM 0 HA ILE A 125 40.235 -1.214 -9.566 1.00 8.03 H new ATOM 0 HB ILE A 125 41.051 -0.177 -12.316 1.00 9.03 H new ATOM 0 HG12 ILE A 125 41.234 1.096 -9.542 1.00 8.72 H new ATOM 0 HG13 ILE A 125 42.585 0.340 -10.362 1.00 8.72 H new ATOM 0 HG21 ILE A 125 39.400 1.617 -11.875 1.00 8.18 H new ATOM 0 HG22 ILE A 125 38.612 0.022 -11.926 1.00 8.18 H new ATOM 0 HG23 ILE A 125 38.926 0.810 -10.362 1.00 8.18 H new ATOM 0 HD11 ILE A 125 42.587 2.791 -10.749 1.00 11.99 H new ATOM 0 HD12 ILE A 125 42.324 1.918 -12.278 1.00 11.99 H new ATOM 0 HD13 ILE A 125 40.952 2.687 -11.445 1.00 11.99 H new ATOM 1888 N ARG A 126 39.790 -2.637 -12.528 1.00 10.35 N ATOM 1889 CA ARG A 126 38.858 -3.452 -13.298 1.00 12.29 C ATOM 1890 C ARG A 126 38.764 -4.856 -12.710 1.00 12.05 C ATOM 1891 O ARG A 126 37.798 -5.579 -12.953 1.00 12.18 O ATOM 1892 CB ARG A 126 39.319 -3.537 -14.755 1.00 13.33 C ATOM 1893 CG ARG A 126 38.141 -3.948 -15.640 1.00 16.87 C ATOM 1894 CD ARG A 126 37.657 -2.738 -16.441 1.00 19.79 C ATOM 1895 NE ARG A 126 36.643 -3.144 -17.407 1.00 23.64 N ATOM 1896 CZ ARG A 126 35.763 -2.272 -17.888 1.00 25.37 C ATOM 1897 NH1 ARG A 126 34.865 -2.660 -18.752 1.00 25.82 N ATOM 1898 NH2 ARG A 126 35.798 -1.027 -17.497 1.00 27.23 N ATOM 0 H ARG A 126 40.667 -2.428 -13.005 1.00 10.35 H new ATOM 0 HA ARG A 126 37.874 -2.985 -13.255 1.00 12.29 H new ATOM 0 HB2 ARG A 126 39.713 -2.574 -15.080 1.00 13.33 H new ATOM 0 HB3 ARG A 126 40.129 -4.261 -14.850 1.00 13.33 H new ATOM 0 HG2 ARG A 126 38.442 -4.748 -16.316 1.00 16.87 H new ATOM 0 HG3 ARG A 126 37.330 -4.339 -15.026 1.00 16.87 H new ATOM 0 HD2 ARG A 126 37.246 -1.987 -15.766 1.00 19.79 H new ATOM 0 HD3 ARG A 126 38.498 -2.276 -16.958 1.00 19.79 H new ATOM 0 HE ARG A 126 36.608 -4.114 -17.719 1.00 23.64 H new ATOM 0 HH11 ARG A 126 34.839 -3.633 -19.058 1.00 25.82 H new ATOM 0 HH12 ARG A 126 34.190 -1.991 -19.121 1.00 25.82 H new ATOM 0 HH21 ARG A 126 36.501 -0.724 -16.823 1.00 27.23 H new ATOM 0 HH22 ARG A 126 35.123 -0.357 -17.866 1.00 27.23 H new ATOM 1912 N GLU A 127 39.774 -5.234 -11.933 1.00 11.23 N ATOM 1913 CA GLU A 127 39.797 -6.554 -11.314 1.00 11.00 C ATOM 1914 C GLU A 127 39.126 -6.514 -9.944 1.00 10.05 C ATOM 1915 O GLU A 127 38.678 -7.539 -9.431 1.00 10.87 O ATOM 1916 CB GLU A 127 41.241 -7.036 -11.163 1.00 10.54 C ATOM 1917 CG GLU A 127 41.248 -8.507 -10.742 1.00 12.15 C ATOM 1918 CD GLU A 127 42.264 -8.724 -9.627 1.00 14.58 C ATOM 1919 OE1 GLU A 127 43.382 -9.104 -9.936 1.00 15.50 O ATOM 1920 OE2 GLU A 127 41.911 -8.509 -8.479 1.00 12.21 O ATOM 0 H GLU A 127 40.582 -4.650 -11.718 1.00 11.23 H new ATOM 0 HA GLU A 127 39.250 -7.245 -11.955 1.00 11.00 H new ATOM 0 HB2 GLU A 127 41.776 -6.914 -12.105 1.00 10.54 H new ATOM 0 HB3 GLU A 127 41.761 -6.432 -10.420 1.00 10.54 H new ATOM 0 HG2 GLU A 127 40.255 -8.802 -10.403 1.00 12.15 H new ATOM 0 HG3 GLU A 127 41.493 -9.137 -11.597 1.00 12.15 H new ATOM 1927 N ALA A 128 39.059 -5.322 -9.359 1.00 9.88 N ATOM 1928 CA ALA A 128 38.438 -5.159 -8.050 1.00 9.79 C ATOM 1929 C ALA A 128 37.020 -4.614 -8.195 1.00 9.77 C ATOM 1930 O ALA A 128 36.129 -4.960 -7.419 1.00 9.01 O ATOM 1931 CB ALA A 128 39.268 -4.202 -7.192 1.00 10.50 C ATOM 0 H ALA A 128 39.424 -4.461 -9.767 1.00 9.88 H new ATOM 0 HA ALA A 128 38.394 -6.135 -7.566 1.00 9.79 H new ATOM 0 HB1 ALA A 128 38.796 -4.086 -6.216 1.00 10.50 H new ATOM 0 HB2 ALA A 128 40.272 -4.606 -7.064 1.00 10.50 H new ATOM 0 HB3 ALA A 128 39.327 -3.231 -7.684 1.00 10.50 H new ATOM 1937 N ASP A 129 36.820 -3.760 -9.193 1.00 9.64 N ATOM 1938 CA ASP A 129 35.508 -3.172 -9.432 1.00 9.00 C ATOM 1939 C ASP A 129 34.479 -4.257 -9.732 1.00 8.76 C ATOM 1940 O ASP A 129 34.394 -4.751 -10.857 1.00 10.86 O ATOM 1941 CB ASP A 129 35.580 -2.194 -10.607 1.00 7.85 C ATOM 1942 CG ASP A 129 36.024 -0.821 -10.116 1.00 9.69 C ATOM 1943 OD1 ASP A 129 35.922 -0.577 -8.925 1.00 9.05 O ATOM 1944 OD2 ASP A 129 36.460 -0.032 -10.939 1.00 6.85 O ATOM 0 H ASP A 129 37.545 -3.461 -9.845 1.00 9.64 H new ATOM 0 HA ASP A 129 35.202 -2.637 -8.533 1.00 9.00 H new ATOM 0 HB2 ASP A 129 36.279 -2.565 -11.357 1.00 7.85 H new ATOM 0 HB3 ASP A 129 34.605 -2.119 -11.089 1.00 7.85 H new ATOM 1949 N ILE A 130 33.706 -4.628 -8.718 1.00 7.88 N ATOM 1950 CA ILE A 130 32.690 -5.661 -8.880 1.00 5.73 C ATOM 1951 C ILE A 130 31.846 -5.399 -10.124 1.00 5.05 C ATOM 1952 O ILE A 130 31.292 -6.326 -10.714 1.00 5.02 O ATOM 1953 CB ILE A 130 31.785 -5.702 -7.648 1.00 6.80 C ATOM 1954 CG1 ILE A 130 32.630 -5.490 -6.389 1.00 8.06 C ATOM 1955 CG2 ILE A 130 31.088 -7.061 -7.570 1.00 4.19 C ATOM 1956 CD1 ILE A 130 32.478 -4.046 -5.910 1.00 12.26 C ATOM 0 H ILE A 130 33.763 -4.232 -7.780 1.00 7.88 H new ATOM 0 HA ILE A 130 33.194 -6.621 -8.994 1.00 5.73 H new ATOM 0 HB ILE A 130 31.036 -4.914 -7.722 1.00 6.80 H new ATOM 0 HG12 ILE A 130 32.314 -6.179 -5.606 1.00 8.06 H new ATOM 0 HG13 ILE A 130 33.677 -5.706 -6.600 1.00 8.06 H new ATOM 0 HG21 ILE A 130 30.443 -7.089 -6.692 1.00 4.19 H new ATOM 0 HG22 ILE A 130 30.487 -7.214 -8.466 1.00 4.19 H new ATOM 0 HG23 ILE A 130 31.836 -7.850 -7.496 1.00 4.19 H new ATOM 0 HD11 ILE A 130 33.079 -3.895 -5.014 1.00 12.26 H new ATOM 0 HD12 ILE A 130 32.815 -3.366 -6.692 1.00 12.26 H new ATOM 0 HD13 ILE A 130 31.431 -3.847 -5.682 1.00 12.26 H new ATOM 1968 N ASP A 131 31.753 -4.133 -10.520 1.00 3.37 N ATOM 1969 CA ASP A 131 30.973 -3.771 -11.698 1.00 3.41 C ATOM 1970 C ASP A 131 31.892 -3.467 -12.876 1.00 3.42 C ATOM 1971 O ASP A 131 31.462 -3.472 -14.030 1.00 5.27 O ATOM 1972 CB ASP A 131 30.107 -2.547 -11.395 1.00 3.12 C ATOM 1973 CG ASP A 131 30.882 -1.562 -10.526 1.00 5.63 C ATOM 1974 OD1 ASP A 131 32.090 -1.706 -10.436 1.00 7.79 O ATOM 1975 OD2 ASP A 131 30.256 -0.678 -9.964 1.00 5.83 O ATOM 0 H ASP A 131 32.203 -3.348 -10.048 1.00 3.37 H new ATOM 0 HA ASP A 131 30.332 -4.613 -11.959 1.00 3.41 H new ATOM 0 HB2 ASP A 131 29.806 -2.065 -12.325 1.00 3.12 H new ATOM 0 HB3 ASP A 131 29.194 -2.854 -10.885 1.00 3.12 H new ATOM 1980 N GLY A 132 33.160 -3.203 -12.578 1.00 3.22 N ATOM 1981 CA GLY A 132 34.132 -2.898 -13.622 1.00 3.08 C ATOM 1982 C GLY A 132 33.769 -1.604 -14.343 1.00 3.63 C ATOM 1983 O GLY A 132 33.412 -1.618 -15.520 1.00 3.93 O ATOM 0 H GLY A 132 33.537 -3.194 -11.630 1.00 3.22 H new ATOM 0 HA2 GLY A 132 35.126 -2.808 -13.184 1.00 3.08 H new ATOM 0 HA3 GLY A 132 34.172 -3.719 -14.338 1.00 3.08 H new ATOM 1987 N ASP A 133 33.862 -0.488 -13.627 1.00 3.43 N ATOM 1988 CA ASP A 133 33.539 0.810 -14.209 1.00 4.62 C ATOM 1989 C ASP A 133 34.812 1.558 -14.594 1.00 4.97 C ATOM 1990 O ASP A 133 34.757 2.700 -15.050 1.00 5.60 O ATOM 1991 CB ASP A 133 32.737 1.645 -13.210 1.00 4.81 C ATOM 1992 CG ASP A 133 31.332 1.071 -13.059 1.00 6.31 C ATOM 1993 OD1 ASP A 133 30.848 1.028 -11.940 1.00 9.56 O ATOM 1994 OD2 ASP A 133 30.762 0.681 -14.065 1.00 5.38 O ATOM 0 H ASP A 133 34.156 -0.456 -12.651 1.00 3.43 H new ATOM 0 HA ASP A 133 32.943 0.646 -15.107 1.00 4.62 H new ATOM 0 HB2 ASP A 133 33.241 1.654 -12.244 1.00 4.81 H new ATOM 0 HB3 ASP A 133 32.682 2.679 -13.550 1.00 4.81 H new ATOM 1999 N GLY A 134 35.955 0.908 -14.408 1.00 5.35 N ATOM 2000 CA GLY A 134 37.235 1.523 -14.740 1.00 5.78 C ATOM 2001 C GLY A 134 37.676 2.490 -13.647 1.00 6.89 C ATOM 2002 O GLY A 134 38.715 3.139 -13.760 1.00 7.32 O ATOM 0 H GLY A 134 36.022 -0.038 -14.032 1.00 5.35 H new ATOM 0 HA2 GLY A 134 37.991 0.749 -14.873 1.00 5.78 H new ATOM 0 HA3 GLY A 134 37.152 2.054 -15.689 1.00 5.78 H new ATOM 2006 N GLN A 135 36.878 2.581 -12.588 1.00 8.76 N ATOM 2007 CA GLN A 135 37.195 3.473 -11.478 1.00 10.22 C ATOM 2008 C GLN A 135 36.660 2.905 -10.168 1.00 10.54 C ATOM 2009 O GLN A 135 35.865 1.965 -10.167 1.00 9.45 O ATOM 2010 CB GLN A 135 36.584 4.853 -11.725 1.00 11.41 C ATOM 2011 CG GLN A 135 35.094 4.705 -12.036 1.00 15.22 C ATOM 2012 CD GLN A 135 34.315 4.455 -10.749 1.00 14.99 C ATOM 2013 OE1 GLN A 135 33.335 3.710 -10.750 1.00 22.05 O ATOM 2014 NE2 GLN A 135 34.695 5.036 -9.644 1.00 21.85 N ATOM 0 H GLN A 135 36.013 2.052 -12.475 1.00 8.76 H new ATOM 0 HA GLN A 135 38.279 3.564 -11.407 1.00 10.22 H new ATOM 0 HB2 GLN A 135 36.722 5.485 -10.848 1.00 11.41 H new ATOM 0 HB3 GLN A 135 37.092 5.344 -12.555 1.00 11.41 H new ATOM 0 HG2 GLN A 135 34.725 5.607 -12.525 1.00 15.22 H new ATOM 0 HG3 GLN A 135 34.939 3.879 -12.731 1.00 15.22 H new ATOM 0 HE21 GLN A 135 35.507 5.653 -9.645 1.00 21.85 H new ATOM 0 HE22 GLN A 135 34.180 4.873 -8.779 1.00 21.85 H new ATOM 2023 N VAL A 136 37.102 3.480 -9.054 1.00 10.23 N ATOM 2024 CA VAL A 136 36.659 3.020 -7.743 1.00 8.85 C ATOM 2025 C VAL A 136 35.744 4.054 -7.094 1.00 7.34 C ATOM 2026 O VAL A 136 36.040 5.249 -7.098 1.00 7.03 O ATOM 2027 CB VAL A 136 37.869 2.770 -6.841 1.00 7.54 C ATOM 2028 CG1 VAL A 136 37.408 2.655 -5.387 1.00 8.16 C ATOM 2029 CG2 VAL A 136 38.556 1.469 -7.262 1.00 10.34 C ATOM 0 H VAL A 136 37.761 4.258 -9.032 1.00 10.23 H new ATOM 0 HA VAL A 136 36.105 2.091 -7.873 1.00 8.85 H new ATOM 0 HB VAL A 136 38.570 3.600 -6.934 1.00 7.54 H new ATOM 0 HG11 VAL A 136 38.271 2.477 -4.745 1.00 8.16 H new ATOM 0 HG12 VAL A 136 36.917 3.581 -5.087 1.00 8.16 H new ATOM 0 HG13 VAL A 136 36.707 1.825 -5.292 1.00 8.16 H new ATOM 0 HG21 VAL A 136 39.419 1.289 -6.620 1.00 10.34 H new ATOM 0 HG22 VAL A 136 37.854 0.640 -7.168 1.00 10.34 H new ATOM 0 HG23 VAL A 136 38.885 1.550 -8.298 1.00 10.34 H new ATOM 2039 N ASN A 137 34.635 3.585 -6.531 1.00 6.53 N ATOM 2040 CA ASN A 137 33.688 4.478 -5.873 1.00 7.00 C ATOM 2041 C ASN A 137 33.717 4.263 -4.363 1.00 7.22 C ATOM 2042 O ASN A 137 34.157 3.217 -3.886 1.00 10.52 O ATOM 2043 CB ASN A 137 32.275 4.221 -6.400 1.00 6.31 C ATOM 2044 CG ASN A 137 32.171 4.672 -7.853 1.00 7.74 C ATOM 2045 OD1 ASN A 137 32.793 5.661 -8.243 1.00 12.02 O ATOM 2046 ND2 ASN A 137 31.418 4.003 -8.682 1.00 9.78 N ATOM 0 H ASN A 137 34.371 2.600 -6.517 1.00 6.53 H new ATOM 0 HA ASN A 137 33.973 5.507 -6.090 1.00 7.00 H new ATOM 0 HB2 ASN A 137 32.036 3.160 -6.322 1.00 6.31 H new ATOM 0 HB3 ASN A 137 31.547 4.758 -5.791 1.00 6.31 H new ATOM 0 HD21 ASN A 137 31.343 4.299 -9.655 1.00 9.78 H new ATOM 0 HD22 ASN A 137 30.904 3.184 -8.357 1.00 9.78 H new ATOM 2053 N TYR A 138 33.246 5.256 -3.615 0.50 8.14 N ATOM 2054 CA TYR A 138 33.226 5.155 -2.161 0.50 7.95 C ATOM 2055 C TYR A 138 32.485 3.896 -1.724 0.50 8.75 C ATOM 2056 O TYR A 138 32.859 3.252 -0.744 0.50 8.62 O ATOM 2057 CB TYR A 138 32.543 6.386 -1.562 0.50 7.85 C ATOM 2058 CG TYR A 138 32.480 6.246 -0.060 0.50 6.95 C ATOM 2059 CD1 TYR A 138 33.572 6.633 0.726 0.50 6.52 C ATOM 2060 CD2 TYR A 138 31.329 5.729 0.547 0.50 5.59 C ATOM 2061 CE1 TYR A 138 33.513 6.503 2.119 0.50 7.79 C ATOM 2062 CE2 TYR A 138 31.270 5.599 1.940 0.50 5.99 C ATOM 2063 CZ TYR A 138 32.363 5.986 2.726 0.50 6.26 C ATOM 2064 OH TYR A 138 32.305 5.857 4.098 0.50 6.33 O ATOM 0 H TYR A 138 32.877 6.131 -3.987 0.50 8.14 H new ATOM 0 HA TYR A 138 34.254 5.101 -1.803 0.50 7.95 H new ATOM 0 HB2 TYR A 138 33.093 7.287 -1.831 0.50 7.85 H new ATOM 0 HB3 TYR A 138 31.538 6.492 -1.970 0.50 7.85 H new ATOM 0 HD1 TYR A 138 34.460 7.032 0.258 0.50 6.52 H new ATOM 0 HD2 TYR A 138 30.487 5.430 -0.059 0.50 5.59 H new ATOM 0 HE1 TYR A 138 34.355 6.802 2.725 0.50 7.79 H new ATOM 0 HE2 TYR A 138 30.382 5.200 2.408 0.50 5.99 H new ATOM 0 HH TYR A 138 31.436 5.483 4.355 0.50 6.33 H new ATOM 2074 N GLU A 139 31.432 3.550 -2.458 1.00 9.07 N ATOM 2075 CA GLU A 139 30.646 2.365 -2.138 1.00 10.59 C ATOM 2076 C GLU A 139 31.512 1.112 -2.219 1.00 9.77 C ATOM 2077 O GLU A 139 31.420 0.226 -1.368 1.00 11.13 O ATOM 2078 CB GLU A 139 29.471 2.239 -3.109 1.00 10.86 C ATOM 2079 CG GLU A 139 28.714 0.939 -2.831 1.00 14.67 C ATOM 2080 CD GLU A 139 27.396 0.929 -3.597 1.00 16.27 C ATOM 2081 OE1 GLU A 139 26.442 1.509 -3.104 1.00 22.33 O ATOM 2082 OE2 GLU A 139 27.359 0.341 -4.666 1.00 20.01 O ATOM 0 H GLU A 139 31.105 4.070 -3.273 1.00 9.07 H new ATOM 0 HA GLU A 139 30.266 2.467 -1.121 1.00 10.59 H new ATOM 0 HB2 GLU A 139 28.802 3.092 -2.999 1.00 10.86 H new ATOM 0 HB3 GLU A 139 29.833 2.248 -4.137 1.00 10.86 H new ATOM 0 HG2 GLU A 139 29.322 0.084 -3.126 1.00 14.67 H new ATOM 0 HG3 GLU A 139 28.524 0.841 -1.762 1.00 14.67 H new ATOM 2089 N GLU A 140 32.353 1.045 -3.246 1.00 10.22 N ATOM 2090 CA GLU A 140 33.232 -0.104 -3.427 1.00 8.98 C ATOM 2091 C GLU A 140 34.232 -0.198 -2.279 1.00 8.77 C ATOM 2092 O GLU A 140 34.566 -1.290 -1.822 1.00 8.82 O ATOM 2093 CB GLU A 140 33.983 0.018 -4.754 1.00 9.71 C ATOM 2094 CG GLU A 140 33.052 -0.365 -5.905 1.00 8.70 C ATOM 2095 CD GLU A 140 33.802 -0.291 -7.230 1.00 9.57 C ATOM 2096 OE1 GLU A 140 33.373 -0.940 -8.169 1.00 13.45 O ATOM 2097 OE2 GLU A 140 34.796 0.416 -7.287 1.00 10.05 O ATOM 0 H GLU A 140 32.444 1.767 -3.961 1.00 10.22 H new ATOM 0 HA GLU A 140 32.623 -1.008 -3.437 1.00 8.98 H new ATOM 0 HB2 GLU A 140 34.343 1.038 -4.888 1.00 9.71 H new ATOM 0 HB3 GLU A 140 34.859 -0.631 -4.749 1.00 9.71 H new ATOM 0 HG2 GLU A 140 32.667 -1.373 -5.752 1.00 8.70 H new ATOM 0 HG3 GLU A 140 32.192 0.305 -5.926 1.00 8.70 H new ATOM 2104 N PHE A 141 34.706 0.956 -1.819 1.00 7.84 N ATOM 2105 CA PHE A 141 35.668 0.992 -0.724 1.00 6.81 C ATOM 2106 C PHE A 141 35.179 0.138 0.443 1.00 7.49 C ATOM 2107 O PHE A 141 35.968 -0.537 1.104 1.00 8.25 O ATOM 2108 CB PHE A 141 35.870 2.437 -0.255 1.00 7.47 C ATOM 2109 CG PHE A 141 37.331 2.808 -0.357 1.00 5.76 C ATOM 2110 CD1 PHE A 141 37.970 2.799 -1.602 1.00 6.47 C ATOM 2111 CD2 PHE A 141 38.045 3.162 0.794 1.00 4.85 C ATOM 2112 CE1 PHE A 141 39.324 3.144 -1.697 1.00 2.00 C ATOM 2113 CE2 PHE A 141 39.399 3.506 0.700 1.00 4.27 C ATOM 2114 CZ PHE A 141 40.038 3.497 -0.546 1.00 2.00 C ATOM 0 H PHE A 141 34.442 1.871 -2.184 1.00 7.84 H new ATOM 0 HA PHE A 141 36.616 0.591 -1.081 1.00 6.81 H new ATOM 0 HB2 PHE A 141 35.270 3.114 -0.863 1.00 7.47 H new ATOM 0 HB3 PHE A 141 35.529 2.546 0.774 1.00 7.47 H new ATOM 0 HD1 PHE A 141 37.419 2.526 -2.490 1.00 6.47 H new ATOM 0 HD2 PHE A 141 37.551 3.170 1.755 1.00 4.85 H new ATOM 0 HE1 PHE A 141 39.817 3.138 -2.658 1.00 2.00 H new ATOM 0 HE2 PHE A 141 39.950 3.778 1.588 1.00 4.27 H new ATOM 0 HZ PHE A 141 41.082 3.763 -0.619 1.00 2.00 H new ATOM 2124 N VAL A 142 33.874 0.174 0.689 1.00 5.97 N ATOM 2125 CA VAL A 142 33.290 -0.601 1.777 1.00 6.53 C ATOM 2126 C VAL A 142 33.157 -2.067 1.378 1.00 5.16 C ATOM 2127 O VAL A 142 33.193 -2.958 2.228 1.00 5.28 O ATOM 2128 CB VAL A 142 31.914 -0.041 2.138 1.00 7.17 C ATOM 2129 CG1 VAL A 142 31.301 -0.877 3.263 1.00 10.15 C ATOM 2130 CG2 VAL A 142 32.061 1.409 2.604 1.00 7.96 C ATOM 0 H VAL A 142 33.205 0.727 0.154 1.00 5.97 H new ATOM 0 HA VAL A 142 33.948 -0.530 2.643 1.00 6.53 H new ATOM 0 HB VAL A 142 31.266 -0.079 1.263 1.00 7.17 H new ATOM 0 HG11 VAL A 142 30.320 -0.477 3.520 1.00 10.15 H new ATOM 0 HG12 VAL A 142 31.197 -1.911 2.933 1.00 10.15 H new ATOM 0 HG13 VAL A 142 31.949 -0.839 4.139 1.00 10.15 H new ATOM 0 HG21 VAL A 142 31.081 1.810 2.862 1.00 7.96 H new ATOM 0 HG22 VAL A 142 32.710 1.446 3.479 1.00 7.96 H new ATOM 0 HG23 VAL A 142 32.498 2.006 1.803 1.00 7.96 H new ATOM 2140 N GLN A 143 33.002 -2.310 0.081 0.50 5.93 N ATOM 2141 CA GLN A 143 32.864 -3.673 -0.420 0.50 5.91 C ATOM 2142 C GLN A 143 34.134 -4.473 -0.152 0.50 5.69 C ATOM 2143 O GLN A 143 34.104 -5.489 0.543 0.50 5.40 O ATOM 2144 CB GLN A 143 32.579 -3.651 -1.923 0.50 5.96 C ATOM 2145 CG GLN A 143 31.156 -3.145 -2.166 0.50 6.79 C ATOM 2146 CD GLN A 143 30.627 -3.693 -3.487 0.50 8.07 C ATOM 2147 OE1 GLN A 143 31.037 -4.769 -3.923 0.50 7.89 O ATOM 2148 NE2 GLN A 143 29.736 -3.013 -4.155 0.50 8.24 N ATOM 0 H GLN A 143 32.969 -1.587 -0.638 0.50 5.93 H new ATOM 0 HA GLN A 143 32.032 -4.149 0.100 0.50 5.91 H new ATOM 0 HB2 GLN A 143 33.297 -3.007 -2.430 0.50 5.96 H new ATOM 0 HB3 GLN A 143 32.697 -4.651 -2.341 0.50 5.96 H new ATOM 0 HG2 GLN A 143 30.506 -3.455 -1.348 0.50 6.79 H new ATOM 0 HG3 GLN A 143 31.147 -2.055 -2.185 0.50 6.79 H new ATOM 0 HE21 GLN A 143 29.397 -2.122 -3.792 0.50 8.24 H new ATOM 0 HE22 GLN A 143 29.378 -3.373 -5.040 0.50 8.24 H new ATOM 2157 N MET A 144 35.249 -4.009 -0.706 0.50 6.59 N ATOM 2158 CA MET A 144 36.524 -4.690 -0.518 0.50 5.84 C ATOM 2159 C MET A 144 36.841 -4.832 0.967 0.50 6.04 C ATOM 2160 O MET A 144 37.585 -5.726 1.371 0.50 6.68 O ATOM 2161 CB MET A 144 37.642 -3.906 -1.208 0.50 5.76 C ATOM 2162 CG MET A 144 38.636 -4.881 -1.842 0.50 5.91 C ATOM 2163 SD MET A 144 39.459 -5.834 -0.541 0.50 4.59 S ATOM 2164 CE MET A 144 40.866 -6.398 -1.530 0.50 2.00 C ATOM 0 H MET A 144 35.296 -3.170 -1.285 0.50 6.59 H new ATOM 0 HA MET A 144 36.452 -5.684 -0.959 0.50 5.84 H new ATOM 0 HB2 MET A 144 37.223 -3.251 -1.971 0.50 5.76 H new ATOM 0 HB3 MET A 144 38.152 -3.269 -0.486 0.50 5.76 H new ATOM 0 HG2 MET A 144 38.117 -5.552 -2.527 0.50 5.91 H new ATOM 0 HG3 MET A 144 39.374 -4.334 -2.429 0.50 5.91 H new ATOM 0 HE1 MET A 144 41.519 -7.016 -0.914 0.50 2.00 H new ATOM 0 HE2 MET A 144 40.505 -6.983 -2.376 0.50 2.00 H new ATOM 0 HE3 MET A 144 41.422 -5.535 -1.896 0.50 2.00 H new ATOM 2174 N MET A 145 36.271 -3.944 1.775 0.50 6.29 N ATOM 2175 CA MET A 145 36.499 -3.979 3.215 0.50 7.25 C ATOM 2176 C MET A 145 35.787 -5.173 3.842 0.50 7.30 C ATOM 2177 O MET A 145 35.883 -5.403 5.047 0.50 6.60 O ATOM 2178 CB MET A 145 35.992 -2.685 3.856 0.50 7.65 C ATOM 2179 CG MET A 145 36.649 -2.502 5.225 0.50 9.43 C ATOM 2180 SD MET A 145 35.813 -1.172 6.123 0.50 13.37 S ATOM 2181 CE MET A 145 36.482 -1.548 7.762 0.50 13.25 C ATOM 0 H MET A 145 35.652 -3.197 1.460 0.50 6.29 H new ATOM 0 HA MET A 145 37.570 -4.076 3.392 0.50 7.25 H new ATOM 0 HB2 MET A 145 36.222 -1.835 3.214 0.50 7.65 H new ATOM 0 HB3 MET A 145 34.908 -2.720 3.963 0.50 7.65 H new ATOM 0 HG2 MET A 145 36.593 -3.430 5.794 0.50 9.43 H new ATOM 0 HG3 MET A 145 37.706 -2.265 5.104 0.50 9.43 H new ATOM 0 HE1 MET A 145 35.662 -1.682 8.468 0.50 13.25 H new ATOM 0 HE2 MET A 145 37.072 -2.463 7.713 0.50 13.25 H new ATOM 0 HE3 MET A 145 37.115 -0.725 8.094 0.50 13.25 H new ATOM 2191 N THR A 146 35.072 -5.929 3.015 1.00 7.72 N ATOM 2192 CA THR A 146 34.347 -7.099 3.499 1.00 9.13 C ATOM 2193 C THR A 146 34.979 -8.379 2.963 1.00 10.78 C ATOM 2194 O THR A 146 34.633 -9.480 3.393 1.00 9.16 O ATOM 2195 CB THR A 146 32.883 -7.025 3.059 1.00 10.24 C ATOM 2196 OG1 THR A 146 32.821 -6.932 1.643 1.00 8.27 O ATOM 2197 CG2 THR A 146 32.221 -5.796 3.683 1.00 10.65 C ATOM 0 H THR A 146 34.979 -5.755 2.014 1.00 7.72 H new ATOM 0 HA THR A 146 34.398 -7.111 4.588 1.00 9.13 H new ATOM 0 HB THR A 146 32.359 -7.922 3.388 1.00 10.24 H new ATOM 0 HG1 THR A 146 33.257 -6.105 1.350 1.00 8.27 H new ATOM 0 HG21 THR A 146 31.179 -5.745 3.368 1.00 10.65 H new ATOM 0 HG22 THR A 146 32.269 -5.869 4.769 1.00 10.65 H new ATOM 0 HG23 THR A 146 32.743 -4.896 3.356 1.00 10.65 H new ATOM 2205 N ALA A 147 35.905 -8.227 2.023 1.00 12.23 N ATOM 2206 CA ALA A 147 36.579 -9.378 1.435 1.00 14.56 C ATOM 2207 C ALA A 147 37.466 -10.066 2.468 1.00 16.77 C ATOM 2208 O ALA A 147 38.460 -9.500 2.922 1.00 18.52 O ATOM 2209 CB ALA A 147 37.431 -8.933 0.245 1.00 15.29 C ATOM 0 H ALA A 147 36.204 -7.325 1.654 1.00 12.23 H new ATOM 0 HA ALA A 147 35.821 -10.084 1.096 1.00 14.56 H new ATOM 0 HB1 ALA A 147 37.931 -9.799 -0.188 1.00 15.29 H new ATOM 0 HB2 ALA A 147 36.792 -8.469 -0.507 1.00 15.29 H new ATOM 0 HB3 ALA A 147 38.178 -8.213 0.581 1.00 15.29 H new ATOM 2215 N LYS A 148 37.098 -11.289 2.836 1.00 18.29 N ATOM 2216 CA LYS A 148 37.868 -12.044 3.818 1.00 19.47 C ATOM 2217 C LYS A 148 39.066 -12.717 3.156 1.00 20.05 C ATOM 2218 O LYS A 148 38.862 -13.419 2.179 1.00 20.38 O ATOM 2219 CB LYS A 148 36.981 -13.106 4.472 1.00 19.94 C ATOM 2220 CG LYS A 148 35.584 -12.529 4.709 1.00 19.92 C ATOM 2221 CD LYS A 148 34.685 -13.604 5.323 1.00 21.49 C ATOM 2222 CE LYS A 148 33.932 -14.336 4.211 1.00 21.36 C ATOM 2223 NZ LYS A 148 34.901 -14.799 3.177 1.00 23.42 N ATOM 2224 OXT LYS A 148 40.171 -12.521 3.636 1.00 20.68 O ATOM 0 H LYS A 148 36.278 -11.775 2.473 1.00 18.29 H new ATOM 0 HA LYS A 148 38.229 -11.353 4.579 1.00 19.47 H new ATOM 0 HB2 LYS A 148 36.919 -13.987 3.833 1.00 19.94 H new ATOM 0 HB3 LYS A 148 37.418 -13.428 5.417 1.00 19.94 H new ATOM 0 HG2 LYS A 148 35.643 -11.667 5.373 1.00 19.92 H new ATOM 0 HG3 LYS A 148 35.159 -12.179 3.768 1.00 19.92 H new ATOM 0 HD2 LYS A 148 35.285 -14.311 5.897 1.00 21.49 H new ATOM 0 HD3 LYS A 148 33.978 -13.149 6.017 1.00 21.49 H new ATOM 0 HE2 LYS A 148 33.390 -15.187 4.623 1.00 21.36 H new ATOM 0 HE3 LYS A 148 33.192 -13.674 3.761 1.00 21.36 H new ATOM 0 HZ1 LYS A 148 34.429 -15.464 2.532 1.00 23.42 H new ATOM 0 HZ2 LYS A 148 35.249 -13.981 2.637 1.00 23.42 H new ATOM 0 HZ3 LYS A 148 35.702 -15.275 3.640 1.00 23.42 H new TER 2238 LYS A 148 HETATM 2239 CA CA A 401 64.613 7.386 11.354 1.00 3.06 CA HETATM 2240 CA CA A 402 37.000 11.984 -9.879 1.00 3.06 CA HETATM 2241 CA CA A 403 33.108 1.205 -9.694 1.00 3.06 CA HETATM 2242 TB TB A 404 59.444 2.499 21.393 1.00 4.04 TB