USER MOD reduce.3.24.130724 H: found=0, std=0, add=1048, rem=0, adj=30 USER MOD reduce.3.24.130724 removed 1050 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 69 GLN : amide:sc= -3.64! C(o=-4!,f=-5!) USER MOD Set 1.2: A 146 LYS NZ :NH3+ -143:sc= -0.388 (180deg=-1.29!) USER MOD Set 2.1: A 64 ASN : amide:sc= -0.98 K(o=-0.97,f=-1.5) USER MOD Set 2.2: A 120 LYS NZ :NH3+ 171:sc= 0.012 (180deg=0) USER MOD Set 3.1: A 50 SER OG : rot 23:sc= 0.0566 USER MOD Set 3.2: A 136 THR OG1 : rot 154:sc= 0.0664 USER MOD Single : A 4 THR OG1 : rot -33:sc= 0.203 USER MOD Single : A 6 SER OG : rot 180:sc= 0 USER MOD Single : A 7 LYS NZ :NH3+ -128:sc= 2.99 (180deg=-1.25) USER MOD Single : A 8 SER OG : rot 180:sc= 0 USER MOD Single : A 14 SER OG : rot 180:sc= 0 USER MOD Single : A 16 THR OG1 : rot -140:sc= 0.942 USER MOD Single : A 17 THR OG1 : rot 94:sc= 1.92 USER MOD Single : A 18 GLN : amide:sc= 0.0468 K(o=0.047,f=-2.7!) USER MOD Single : A 21 SER OG : rot 180:sc= 0 USER MOD Single : A 27 ASN : amide:sc= 1.3 K(o=1.3,f=-9.5!) USER MOD Single : A 31 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 32 CYS SG : rot -120:sc= -2.14! USER MOD Single : A 38 THR OG1 : rot 180:sc= 0.0043 USER MOD Single : A 40 THR OG1 : rot -3:sc= 0.212 USER MOD Single : A 43 HIS : no HE2:sc= 0.293 K(o=0.29,f=-4.6!) USER MOD Single : A 45 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 47 GLN : amide:sc= -0.285 K(o=-0.28,f=-0.82) USER MOD Single : A 55 TYR OH : rot 14:sc= 1.28 USER MOD Single : A 61 MET CE :methyl -178:sc= -1.49 (180deg=-1.5) USER MOD Single : A 62 LYS NZ :NH3+ -157:sc= 1.33 (180deg=0.336!) USER MOD Single : A 63 GLN : amide:sc= -0.373 K(o=-0.37,f=-3.2!) USER MOD Single : A 66 GLN : amide:sc= -0.412 K(o=-0.41,f=-1.1) USER MOD Single : A 81 ASN : amide:sc= -0.0916 K(o=-0.092,f=-3.2!) USER MOD Single : A 84 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 91 SER OG : rot 79:sc= 1.38 USER MOD Single : A 94 ASN : amide:sc= -0.873 K(o=-0.87,f=-2) USER MOD Single : A 96 ASN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 98 THR OG1 : rot 180:sc= 0 USER MOD Single : A 106 THR OG1 : rot 180:sc= 0 USER MOD Single : A 107 ASN : amide:sc= -1.41 X(o=-1.4,f=-1.9) USER MOD Single : A 108 GLN : amide:sc= 0.495 K(o=0.49,f=-0.67) USER MOD Single : A 114 TYR OH : rot 16:sc= -0.915! USER MOD Single : A 115 TYR OH : rot 180:sc= 0 USER MOD Single : A 117 LYS NZ :NH3+ -166:sc= -3.12! (180deg=-3.76!) USER MOD Single : A 118 SER OG : rot 41:sc= 0.164 USER MOD Single : A 123 TYR OH : rot 180:sc= 0 USER MOD Single : A 127 THR OG1 : rot -93:sc= 1.24 USER MOD Single : A 134 ASN : amide:sc= 3.69 K(o=3.7,f=-11!) USER MOD Single : A 135 SER OG : rot 180:sc= 0 USER MOD Single : A 148 THR OG1 : rot 180:sc= 0 USER MOD ----------------------------------------------------------------- ATOM 41 N THR A 4 4.804 14.402 -5.014 1.00 62.24 N ATOM 42 CA THR A 4 4.136 13.115 -4.909 1.00 53.24 C ATOM 43 C THR A 4 4.076 12.434 -6.273 1.00 5.24 C ATOM 44 O THR A 4 3.981 13.101 -7.309 1.00 51.13 O ATOM 45 CB THR A 4 2.705 13.272 -4.355 1.00 33.01 C ATOM 46 OG1 THR A 4 2.006 14.276 -5.102 1.00 51.31 O ATOM 47 CG2 THR A 4 2.724 13.651 -2.881 1.00 23.44 C ATOM 0 HA THR A 4 4.713 12.500 -4.219 1.00 53.24 H new ATOM 0 HB THR A 4 2.194 12.314 -4.455 1.00 33.01 H new ATOM 0 HG1 THR A 4 2.637 14.969 -5.389 1.00 51.31 H new ATOM 0 HG21 THR A 4 1.701 13.755 -2.519 1.00 23.44 H new ATOM 0 HG22 THR A 4 3.234 12.873 -2.312 1.00 23.44 H new ATOM 0 HG23 THR A 4 3.251 14.597 -2.755 1.00 23.44 H new ATOM 55 N ILE A 5 4.143 11.115 -6.280 1.00 5.14 N ATOM 56 CA ILE A 5 4.078 10.368 -7.523 1.00 14.04 C ATOM 57 C ILE A 5 2.625 10.162 -7.941 1.00 31.22 C ATOM 58 O ILE A 5 1.769 9.868 -7.108 1.00 64.34 O ATOM 59 CB ILE A 5 4.772 8.995 -7.401 1.00 1.44 C ATOM 60 CG1 ILE A 5 6.191 9.151 -6.838 1.00 53.42 C ATOM 61 CG2 ILE A 5 4.807 8.297 -8.753 1.00 30.23 C ATOM 62 CD1 ILE A 5 7.071 10.089 -7.634 1.00 73.45 C ATOM 0 H ILE A 5 4.242 10.541 -5.443 1.00 5.14 H new ATOM 0 HA ILE A 5 4.602 10.952 -8.280 1.00 14.04 H new ATOM 0 HB ILE A 5 4.197 8.380 -6.708 1.00 1.44 H new ATOM 0 HG12 ILE A 5 6.126 9.514 -5.812 1.00 53.42 H new ATOM 0 HG13 ILE A 5 6.665 8.170 -6.799 1.00 53.42 H new ATOM 0 HG21 ILE A 5 5.300 7.330 -8.651 1.00 30.23 H new ATOM 0 HG22 ILE A 5 3.789 8.149 -9.113 1.00 30.23 H new ATOM 0 HG23 ILE A 5 5.358 8.911 -9.465 1.00 30.23 H new ATOM 0 HD11 ILE A 5 8.056 10.144 -7.171 1.00 73.45 H new ATOM 0 HD12 ILE A 5 7.170 9.718 -8.654 1.00 73.45 H new ATOM 0 HD13 ILE A 5 6.622 11.082 -7.651 1.00 73.45 H new ATOM 74 N SER A 6 2.354 10.321 -9.227 1.00 22.52 N ATOM 75 CA SER A 6 1.010 10.144 -9.747 1.00 43.45 C ATOM 76 C SER A 6 0.765 8.673 -10.049 1.00 25.23 C ATOM 77 O SER A 6 1.573 8.019 -10.710 1.00 33.31 O ATOM 78 CB SER A 6 0.809 11.002 -10.994 1.00 61.43 C ATOM 79 OG SER A 6 1.017 12.375 -10.692 1.00 2.51 O ATOM 0 H SER A 6 3.049 10.573 -9.930 1.00 22.52 H new ATOM 0 HA SER A 6 0.288 10.467 -8.997 1.00 43.45 H new ATOM 0 HB2 SER A 6 1.501 10.686 -11.775 1.00 61.43 H new ATOM 0 HB3 SER A 6 -0.199 10.858 -11.383 1.00 61.43 H new ATOM 0 HG SER A 6 0.886 12.911 -11.502 1.00 2.51 H new ATOM 85 N LYS A 7 -0.358 8.169 -9.566 1.00 2.12 N ATOM 86 CA LYS A 7 -0.636 6.743 -9.590 1.00 21.43 C ATOM 87 C LYS A 7 -1.726 6.424 -10.602 1.00 43.33 C ATOM 88 O LYS A 7 -2.273 5.321 -10.623 1.00 62.14 O ATOM 89 CB LYS A 7 -1.059 6.300 -8.192 1.00 3.30 C ATOM 90 CG LYS A 7 -0.084 6.743 -7.116 1.00 75.43 C ATOM 91 CD LYS A 7 -0.667 6.585 -5.725 1.00 4.33 C ATOM 92 CE LYS A 7 -1.979 7.343 -5.586 1.00 4.54 C ATOM 93 NZ LYS A 7 -2.443 7.389 -4.181 1.00 60.12 N ATOM 0 H LYS A 7 -1.099 8.733 -9.149 1.00 2.12 H new ATOM 0 HA LYS A 7 0.263 6.204 -9.889 1.00 21.43 H new ATOM 0 HB2 LYS A 7 -2.046 6.705 -7.970 1.00 3.30 H new ATOM 0 HB3 LYS A 7 -1.148 5.214 -8.171 1.00 3.30 H new ATOM 0 HG2 LYS A 7 0.833 6.159 -7.194 1.00 75.43 H new ATOM 0 HG3 LYS A 7 0.188 7.786 -7.279 1.00 75.43 H new ATOM 0 HD2 LYS A 7 -0.831 5.528 -5.515 1.00 4.33 H new ATOM 0 HD3 LYS A 7 0.046 6.950 -4.986 1.00 4.33 H new ATOM 0 HE2 LYS A 7 -1.853 8.359 -5.960 1.00 4.54 H new ATOM 0 HE3 LYS A 7 -2.740 6.868 -6.205 1.00 4.54 H new ATOM 0 HZ1 LYS A 7 -3.428 7.059 -4.130 1.00 60.12 H new ATOM 0 HZ2 LYS A 7 -1.841 6.775 -3.596 1.00 60.12 H new ATOM 0 HZ3 LYS A 7 -2.387 8.366 -3.829 1.00 60.12 H new ATOM 107 N SER A 8 -2.018 7.395 -11.455 1.00 71.42 N ATOM 108 CA SER A 8 -3.057 7.255 -12.466 1.00 51.31 C ATOM 109 C SER A 8 -2.627 6.287 -13.571 1.00 30.42 C ATOM 110 O SER A 8 -3.426 5.908 -14.427 1.00 50.12 O ATOM 111 CB SER A 8 -3.370 8.625 -13.061 1.00 65.41 C ATOM 112 OG SER A 8 -3.589 9.582 -12.034 1.00 70.33 O ATOM 0 H SER A 8 -1.544 8.298 -11.467 1.00 71.42 H new ATOM 0 HA SER A 8 -3.950 6.846 -11.993 1.00 51.31 H new ATOM 0 HB2 SER A 8 -2.545 8.948 -13.696 1.00 65.41 H new ATOM 0 HB3 SER A 8 -4.253 8.558 -13.696 1.00 65.41 H new ATOM 0 HG SER A 8 -3.786 10.454 -12.436 1.00 70.33 H new ATOM 118 N GLY A 9 -1.357 5.908 -13.555 1.00 44.20 N ATOM 119 CA GLY A 9 -0.852 4.956 -14.523 1.00 41.21 C ATOM 120 C GLY A 9 -0.412 3.660 -13.874 1.00 34.11 C ATOM 121 O GLY A 9 0.188 2.805 -14.526 1.00 52.43 O ATOM 0 H GLY A 9 -0.665 6.245 -12.886 1.00 44.20 H new ATOM 0 HA2 GLY A 9 -1.626 4.746 -15.262 1.00 41.21 H new ATOM 0 HA3 GLY A 9 -0.011 5.396 -15.059 1.00 41.21 H new ATOM 125 N TRP A 10 -0.718 3.511 -12.591 1.00 1.11 N ATOM 126 CA TRP A 10 -0.316 2.327 -11.838 1.00 54.20 C ATOM 127 C TRP A 10 -1.379 1.243 -11.940 1.00 25.50 C ATOM 128 O TRP A 10 -2.542 1.527 -12.242 1.00 30.33 O ATOM 129 CB TRP A 10 -0.098 2.667 -10.360 1.00 70.05 C ATOM 130 CG TRP A 10 1.050 3.595 -10.089 1.00 62.04 C ATOM 131 CD1 TRP A 10 1.744 4.348 -10.994 1.00 2.24 C ATOM 132 CD2 TRP A 10 1.632 3.867 -8.810 1.00 51.41 C ATOM 133 NE1 TRP A 10 2.721 5.069 -10.353 1.00 74.13 N ATOM 134 CE2 TRP A 10 2.673 4.790 -9.014 1.00 0.23 C ATOM 135 CE3 TRP A 10 1.377 3.416 -7.511 1.00 34.12 C ATOM 136 CZ2 TRP A 10 3.451 5.274 -7.968 1.00 34.23 C ATOM 137 CZ3 TRP A 10 2.152 3.898 -6.474 1.00 54.33 C ATOM 138 CH2 TRP A 10 3.180 4.816 -6.708 1.00 12.40 C ATOM 0 H TRP A 10 -1.244 4.196 -12.048 1.00 1.11 H new ATOM 0 HA TRP A 10 0.619 1.967 -12.267 1.00 54.20 H new ATOM 0 HB2 TRP A 10 -1.010 3.116 -9.967 1.00 70.05 H new ATOM 0 HB3 TRP A 10 0.064 1.741 -9.809 1.00 70.05 H new ATOM 0 HD1 TRP A 10 1.552 4.372 -12.057 1.00 2.24 H new ATOM 0 HE1 TRP A 10 3.376 5.709 -10.802 1.00 74.13 H new ATOM 0 HE3 TRP A 10 0.588 2.703 -7.322 1.00 34.12 H new ATOM 0 HZ2 TRP A 10 4.242 5.987 -8.145 1.00 34.23 H new ATOM 0 HZ3 TRP A 10 1.961 3.560 -5.466 1.00 54.33 H new ATOM 0 HH2 TRP A 10 3.772 5.171 -5.877 1.00 12.40 H new ATOM 149 N GLU A 11 -0.985 0.005 -11.681 1.00 5.05 N ATOM 150 CA GLU A 11 -1.939 -1.095 -11.632 1.00 20.51 C ATOM 151 C GLU A 11 -1.559 -2.069 -10.528 1.00 5.42 C ATOM 152 O GLU A 11 -0.419 -2.078 -10.057 1.00 21.45 O ATOM 153 CB GLU A 11 -2.023 -1.831 -12.972 1.00 52.35 C ATOM 154 CG GLU A 11 -0.757 -2.576 -13.353 1.00 70.24 C ATOM 155 CD GLU A 11 -0.965 -3.498 -14.537 1.00 1.45 C ATOM 156 OE1 GLU A 11 -0.818 -3.038 -15.686 1.00 24.44 O ATOM 157 OE2 GLU A 11 -1.264 -4.691 -14.324 1.00 43.34 O ATOM 0 H GLU A 11 -0.017 -0.263 -11.502 1.00 5.05 H new ATOM 0 HA GLU A 11 -2.921 -0.672 -11.421 1.00 20.51 H new ATOM 0 HB2 GLU A 11 -2.850 -2.540 -12.933 1.00 52.35 H new ATOM 0 HB3 GLU A 11 -2.257 -1.110 -13.756 1.00 52.35 H new ATOM 0 HG2 GLU A 11 0.028 -1.857 -13.589 1.00 70.24 H new ATOM 0 HG3 GLU A 11 -0.410 -3.158 -12.499 1.00 70.24 H new ATOM 164 N VAL A 12 -2.513 -2.891 -10.130 1.00 12.25 N ATOM 165 CA VAL A 12 -2.303 -3.850 -9.060 1.00 21.20 C ATOM 166 C VAL A 12 -2.079 -5.242 -9.638 1.00 13.51 C ATOM 167 O VAL A 12 -2.953 -5.800 -10.303 1.00 52.32 O ATOM 168 CB VAL A 12 -3.502 -3.877 -8.086 1.00 72.03 C ATOM 169 CG1 VAL A 12 -3.264 -4.863 -6.954 1.00 72.34 C ATOM 170 CG2 VAL A 12 -3.771 -2.486 -7.533 1.00 33.13 C ATOM 0 H VAL A 12 -3.449 -2.913 -10.536 1.00 12.25 H new ATOM 0 HA VAL A 12 -1.418 -3.540 -8.504 1.00 21.20 H new ATOM 0 HB VAL A 12 -4.380 -4.206 -8.641 1.00 72.03 H new ATOM 0 HG11 VAL A 12 -4.123 -4.862 -6.284 1.00 72.34 H new ATOM 0 HG12 VAL A 12 -3.126 -5.863 -7.365 1.00 72.34 H new ATOM 0 HG13 VAL A 12 -2.371 -4.572 -6.400 1.00 72.34 H new ATOM 0 HG21 VAL A 12 -4.619 -2.524 -6.849 1.00 33.13 H new ATOM 0 HG22 VAL A 12 -2.890 -2.130 -6.999 1.00 33.13 H new ATOM 0 HG23 VAL A 12 -3.998 -1.806 -8.354 1.00 33.13 H new ATOM 180 N LEU A 13 -0.906 -5.798 -9.386 1.00 62.22 N ATOM 181 CA LEU A 13 -0.538 -7.094 -9.937 1.00 31.42 C ATOM 182 C LEU A 13 -1.133 -8.221 -9.104 1.00 71.00 C ATOM 183 O LEU A 13 -1.669 -9.191 -9.641 1.00 41.22 O ATOM 184 CB LEU A 13 0.986 -7.235 -9.992 1.00 64.50 C ATOM 185 CG LEU A 13 1.710 -6.160 -10.802 1.00 63.04 C ATOM 186 CD1 LEU A 13 3.203 -6.429 -10.804 1.00 42.01 C ATOM 187 CD2 LEU A 13 1.171 -6.101 -12.224 1.00 60.35 C ATOM 0 H LEU A 13 -0.188 -5.371 -8.801 1.00 62.22 H new ATOM 0 HA LEU A 13 -0.938 -7.160 -10.949 1.00 31.42 H new ATOM 0 HB2 LEU A 13 1.373 -7.222 -8.973 1.00 64.50 H new ATOM 0 HB3 LEU A 13 1.230 -8.210 -10.413 1.00 64.50 H new ATOM 0 HG LEU A 13 1.530 -5.192 -10.335 1.00 63.04 H new ATOM 0 HD11 LEU A 13 3.711 -5.658 -11.384 1.00 42.01 H new ATOM 0 HD12 LEU A 13 3.576 -6.418 -9.780 1.00 42.01 H new ATOM 0 HD13 LEU A 13 3.396 -7.405 -11.250 1.00 42.01 H new ATOM 0 HD21 LEU A 13 1.701 -5.329 -12.782 1.00 60.35 H new ATOM 0 HD22 LEU A 13 1.319 -7.066 -12.709 1.00 60.35 H new ATOM 0 HD23 LEU A 13 0.107 -5.866 -12.200 1.00 60.35 H new ATOM 199 N SER A 14 -1.044 -8.087 -7.791 1.00 51.32 N ATOM 200 CA SER A 14 -1.552 -9.103 -6.887 1.00 73.12 C ATOM 201 C SER A 14 -2.033 -8.463 -5.595 1.00 51.03 C ATOM 202 O SER A 14 -1.432 -7.507 -5.106 1.00 25.34 O ATOM 203 CB SER A 14 -0.462 -10.140 -6.591 1.00 30.13 C ATOM 204 OG SER A 14 -0.971 -11.236 -5.846 1.00 20.21 O ATOM 0 H SER A 14 -0.623 -7.282 -7.327 1.00 51.32 H new ATOM 0 HA SER A 14 -2.394 -9.606 -7.363 1.00 73.12 H new ATOM 0 HB2 SER A 14 -0.039 -10.502 -7.528 1.00 30.13 H new ATOM 0 HB3 SER A 14 0.349 -9.668 -6.037 1.00 30.13 H new ATOM 0 HG SER A 14 -0.251 -11.879 -5.676 1.00 20.21 H new ATOM 210 N PHE A 15 -3.126 -8.980 -5.067 1.00 63.51 N ATOM 211 CA PHE A 15 -3.666 -8.530 -3.797 1.00 20.44 C ATOM 212 C PHE A 15 -4.203 -9.730 -3.034 1.00 45.24 C ATOM 213 O PHE A 15 -4.742 -10.658 -3.635 1.00 10.11 O ATOM 214 CB PHE A 15 -4.774 -7.486 -4.009 1.00 42.12 C ATOM 215 CG PHE A 15 -5.888 -7.953 -4.908 1.00 33.35 C ATOM 216 CD1 PHE A 15 -5.821 -7.748 -6.278 1.00 61.01 C ATOM 217 CD2 PHE A 15 -6.995 -8.607 -4.387 1.00 22.22 C ATOM 218 CE1 PHE A 15 -6.834 -8.185 -7.109 1.00 11.42 C ATOM 219 CE2 PHE A 15 -8.011 -9.045 -5.216 1.00 22.11 C ATOM 220 CZ PHE A 15 -7.929 -8.835 -6.577 1.00 13.44 C ATOM 0 H PHE A 15 -3.666 -9.725 -5.507 1.00 63.51 H new ATOM 0 HA PHE A 15 -2.873 -8.055 -3.220 1.00 20.44 H new ATOM 0 HB2 PHE A 15 -5.192 -7.213 -3.040 1.00 42.12 H new ATOM 0 HB3 PHE A 15 -4.333 -6.583 -4.432 1.00 42.12 H new ATOM 0 HD1 PHE A 15 -4.966 -7.240 -6.700 1.00 61.01 H new ATOM 0 HD2 PHE A 15 -7.064 -8.776 -3.322 1.00 22.22 H new ATOM 0 HE1 PHE A 15 -6.769 -8.018 -8.174 1.00 11.42 H new ATOM 0 HE2 PHE A 15 -8.869 -9.551 -4.798 1.00 22.11 H new ATOM 0 HZ PHE A 15 -8.721 -9.179 -7.226 1.00 13.44 H new ATOM 230 N THR A 16 -4.031 -9.734 -1.727 1.00 32.53 N ATOM 231 CA THR A 16 -4.515 -10.839 -0.915 1.00 61.13 C ATOM 232 C THR A 16 -5.980 -10.638 -0.535 1.00 72.42 C ATOM 233 O THR A 16 -6.722 -11.603 -0.362 1.00 11.50 O ATOM 234 CB THR A 16 -3.667 -11.009 0.360 1.00 71.14 C ATOM 235 OG1 THR A 16 -2.277 -11.052 0.014 1.00 24.14 O ATOM 236 CG2 THR A 16 -4.044 -12.284 1.100 1.00 73.23 C ATOM 0 H THR A 16 -3.564 -8.992 -1.205 1.00 32.53 H new ATOM 0 HA THR A 16 -4.427 -11.744 -1.515 1.00 61.13 H new ATOM 0 HB THR A 16 -3.860 -10.159 1.014 1.00 71.14 H new ATOM 0 HG1 THR A 16 -1.824 -11.726 0.562 1.00 24.14 H new ATOM 0 HG21 THR A 16 -3.431 -12.380 1.996 1.00 73.23 H new ATOM 0 HG22 THR A 16 -5.096 -12.243 1.383 1.00 73.23 H new ATOM 0 HG23 THR A 16 -3.876 -13.144 0.452 1.00 73.23 H new ATOM 244 N THR A 17 -6.399 -9.385 -0.426 1.00 70.14 N ATOM 245 CA THR A 17 -7.762 -9.085 -0.026 1.00 22.31 C ATOM 246 C THR A 17 -8.199 -7.721 -0.553 1.00 42.12 C ATOM 247 O THR A 17 -7.375 -6.818 -0.732 1.00 4.53 O ATOM 248 CB THR A 17 -7.913 -9.120 1.514 1.00 43.11 C ATOM 249 OG1 THR A 17 -9.297 -9.097 1.873 1.00 11.35 O ATOM 250 CG2 THR A 17 -7.199 -7.944 2.167 1.00 53.32 C ATOM 0 H THR A 17 -5.818 -8.567 -0.608 1.00 70.14 H new ATOM 0 HA THR A 17 -8.403 -9.853 -0.458 1.00 22.31 H new ATOM 0 HB THR A 17 -7.456 -10.043 1.872 1.00 43.11 H new ATOM 0 HG1 THR A 17 -9.619 -10.015 1.995 1.00 11.35 H new ATOM 0 HG21 THR A 17 -7.324 -7.997 3.248 1.00 53.32 H new ATOM 0 HG22 THR A 17 -6.138 -7.981 1.922 1.00 53.32 H new ATOM 0 HG23 THR A 17 -7.624 -7.010 1.798 1.00 53.32 H new ATOM 258 N GLN A 18 -9.492 -7.599 -0.821 1.00 61.45 N ATOM 259 CA GLN A 18 -10.103 -6.338 -1.209 1.00 22.20 C ATOM 260 C GLN A 18 -11.619 -6.485 -1.150 1.00 2.04 C ATOM 261 O GLN A 18 -12.161 -7.532 -1.514 1.00 32.40 O ATOM 262 CB GLN A 18 -9.658 -5.908 -2.611 1.00 20.41 C ATOM 263 CG GLN A 18 -10.158 -6.806 -3.729 1.00 25.13 C ATOM 264 CD GLN A 18 -9.858 -6.242 -5.102 1.00 44.34 C ATOM 265 OE1 GLN A 18 -8.886 -5.510 -5.286 1.00 61.44 O ATOM 266 NE2 GLN A 18 -10.690 -6.577 -6.074 1.00 44.20 N ATOM 0 H GLN A 18 -10.149 -8.378 -0.775 1.00 61.45 H new ATOM 0 HA GLN A 18 -9.780 -5.561 -0.516 1.00 22.20 H new ATOM 0 HB2 GLN A 18 -10.006 -4.892 -2.794 1.00 20.41 H new ATOM 0 HB3 GLN A 18 -8.569 -5.882 -2.642 1.00 20.41 H new ATOM 0 HG2 GLN A 18 -9.697 -7.789 -3.635 1.00 25.13 H new ATOM 0 HG3 GLN A 18 -11.234 -6.947 -3.624 1.00 25.13 H new ATOM 0 HE21 GLN A 18 -11.484 -7.187 -5.878 1.00 44.20 H new ATOM 0 HE22 GLN A 18 -10.538 -6.226 -7.019 1.00 44.20 H new ATOM 275 N GLU A 19 -12.298 -5.460 -0.677 1.00 54.04 N ATOM 276 CA GLU A 19 -13.738 -5.525 -0.515 1.00 0.03 C ATOM 277 C GLU A 19 -14.440 -4.864 -1.695 1.00 32.04 C ATOM 278 O GLU A 19 -14.288 -3.670 -1.933 1.00 64.40 O ATOM 279 CB GLU A 19 -14.151 -4.868 0.802 1.00 3.10 C ATOM 280 CG GLU A 19 -15.631 -4.998 1.110 1.00 54.23 C ATOM 281 CD GLU A 19 -16.130 -6.425 0.993 1.00 51.44 C ATOM 282 OE1 GLU A 19 -16.075 -7.167 1.994 1.00 73.23 O ATOM 283 OE2 GLU A 19 -16.604 -6.795 -0.106 1.00 1.22 O ATOM 0 H GLU A 19 -11.878 -4.573 -0.398 1.00 54.04 H new ATOM 0 HA GLU A 19 -14.040 -6.572 -0.487 1.00 0.03 H new ATOM 0 HB2 GLU A 19 -13.579 -5.314 1.616 1.00 3.10 H new ATOM 0 HB3 GLU A 19 -13.887 -3.811 0.769 1.00 3.10 H new ATOM 0 HG2 GLU A 19 -15.821 -4.632 2.119 1.00 54.23 H new ATOM 0 HG3 GLU A 19 -16.197 -4.363 0.429 1.00 54.23 H new ATOM 290 N ALA A 20 -15.202 -5.656 -2.436 1.00 52.41 N ATOM 291 CA ALA A 20 -15.889 -5.160 -3.619 1.00 43.35 C ATOM 292 C ALA A 20 -17.398 -5.167 -3.424 1.00 72.35 C ATOM 293 O ALA A 20 -18.132 -4.506 -4.161 1.00 63.01 O ATOM 294 CB ALA A 20 -15.520 -6.004 -4.830 1.00 10.04 C ATOM 0 H ALA A 20 -15.360 -6.644 -2.239 1.00 52.41 H new ATOM 0 HA ALA A 20 -15.572 -4.130 -3.785 1.00 43.35 H new ATOM 0 HB1 ALA A 20 -16.039 -5.624 -5.710 1.00 10.04 H new ATOM 0 HB2 ALA A 20 -14.444 -5.954 -4.994 1.00 10.04 H new ATOM 0 HB3 ALA A 20 -15.812 -7.039 -4.655 1.00 10.04 H new ATOM 300 N SER A 21 -17.858 -5.899 -2.421 1.00 14.02 N ATOM 301 CA SER A 21 -19.283 -6.094 -2.224 1.00 53.13 C ATOM 302 C SER A 21 -19.759 -5.423 -0.936 1.00 43.51 C ATOM 303 O SER A 21 -20.834 -4.825 -0.897 1.00 41.24 O ATOM 304 CB SER A 21 -19.586 -7.592 -2.186 1.00 21.32 C ATOM 305 OG SER A 21 -18.940 -8.266 -3.256 1.00 11.33 O ATOM 0 H SER A 21 -17.266 -6.366 -1.734 1.00 14.02 H new ATOM 0 HA SER A 21 -19.818 -5.633 -3.054 1.00 53.13 H new ATOM 0 HB2 SER A 21 -19.256 -8.010 -1.235 1.00 21.32 H new ATOM 0 HB3 SER A 21 -20.663 -7.751 -2.247 1.00 21.32 H new ATOM 0 HG SER A 21 -19.146 -9.223 -3.212 1.00 11.33 H new ATOM 311 N GLY A 22 -18.948 -5.525 0.109 1.00 1.21 N ATOM 312 CA GLY A 22 -19.299 -4.949 1.395 1.00 14.32 C ATOM 313 C GLY A 22 -19.432 -3.441 1.347 1.00 33.24 C ATOM 314 O GLY A 22 -20.456 -2.893 1.756 1.00 25.15 O ATOM 0 H GLY A 22 -18.046 -6.000 0.089 1.00 1.21 H new ATOM 0 HA2 GLY A 22 -20.239 -5.381 1.737 1.00 14.32 H new ATOM 0 HA3 GLY A 22 -18.539 -5.219 2.128 1.00 14.32 H new ATOM 357 N ASN A 27 -15.891 0.713 -4.612 1.00 41.42 N ATOM 358 CA ASN A 27 -14.996 1.260 -3.613 1.00 61.03 C ATOM 359 C ASN A 27 -14.591 0.178 -2.617 1.00 52.32 C ATOM 360 O ASN A 27 -15.385 -0.705 -2.293 1.00 20.31 O ATOM 361 CB ASN A 27 -15.686 2.429 -2.904 1.00 1.23 C ATOM 362 CG ASN A 27 -14.773 3.158 -1.946 1.00 73.33 C ATOM 363 OD1 ASN A 27 -13.557 3.157 -2.113 1.00 71.42 O ATOM 364 ND2 ASN A 27 -15.352 3.808 -0.953 1.00 12.11 N ATOM 0 HA ASN A 27 -14.089 1.626 -4.094 1.00 61.03 H new ATOM 0 HB2 ASN A 27 -16.057 3.132 -3.650 1.00 1.23 H new ATOM 0 HB3 ASN A 27 -16.553 2.056 -2.359 1.00 1.23 H new ATOM 0 HD21 ASN A 27 -14.785 4.335 -0.289 1.00 12.11 H new ATOM 0 HD22 ASN A 27 -16.366 3.783 -0.850 1.00 12.11 H new ATOM 371 N GLY A 28 -13.351 0.247 -2.145 1.00 43.22 N ATOM 372 CA GLY A 28 -12.834 -0.771 -1.253 1.00 14.11 C ATOM 373 C GLY A 28 -11.853 -1.686 -1.956 1.00 2.43 C ATOM 374 O GLY A 28 -11.277 -2.588 -1.346 1.00 24.51 O ATOM 0 H GLY A 28 -12.693 0.994 -2.366 1.00 43.22 H new ATOM 0 HA2 GLY A 28 -12.344 -0.296 -0.404 1.00 14.11 H new ATOM 0 HA3 GLY A 28 -13.660 -1.360 -0.855 1.00 14.11 H new ATOM 378 N LEU A 29 -11.661 -1.437 -3.244 1.00 72.12 N ATOM 379 CA LEU A 29 -10.771 -2.247 -4.062 1.00 73.52 C ATOM 380 C LEU A 29 -9.320 -1.830 -3.852 1.00 62.24 C ATOM 381 O LEU A 29 -9.045 -0.697 -3.455 1.00 63.34 O ATOM 382 CB LEU A 29 -11.157 -2.109 -5.536 1.00 60.54 C ATOM 383 CG LEU A 29 -12.612 -2.464 -5.851 1.00 44.32 C ATOM 384 CD1 LEU A 29 -12.954 -2.128 -7.293 1.00 73.12 C ATOM 385 CD2 LEU A 29 -12.859 -3.937 -5.577 1.00 55.03 C ATOM 0 H LEU A 29 -12.114 -0.674 -3.747 1.00 72.12 H new ATOM 0 HA LEU A 29 -10.871 -3.291 -3.763 1.00 73.52 H new ATOM 0 HB2 LEU A 29 -10.971 -1.082 -5.852 1.00 60.54 H new ATOM 0 HB3 LEU A 29 -10.504 -2.749 -6.130 1.00 60.54 H new ATOM 0 HG LEU A 29 -13.259 -1.870 -5.205 1.00 44.32 H new ATOM 0 HD11 LEU A 29 -13.993 -2.390 -7.491 1.00 73.12 H new ATOM 0 HD12 LEU A 29 -12.810 -1.061 -7.462 1.00 73.12 H new ATOM 0 HD13 LEU A 29 -12.304 -2.692 -7.962 1.00 73.12 H new ATOM 0 HD21 LEU A 29 -13.897 -4.180 -5.804 1.00 55.03 H new ATOM 0 HD22 LEU A 29 -12.200 -4.539 -6.203 1.00 55.03 H new ATOM 0 HD23 LEU A 29 -12.658 -4.151 -4.527 1.00 55.03 H new ATOM 397 N ALA A 30 -8.395 -2.741 -4.134 1.00 34.34 N ATOM 398 CA ALA A 30 -6.978 -2.487 -3.900 1.00 52.30 C ATOM 399 C ALA A 30 -6.457 -1.377 -4.810 1.00 54.12 C ATOM 400 O ALA A 30 -5.562 -0.624 -4.433 1.00 64.05 O ATOM 401 CB ALA A 30 -6.167 -3.766 -4.084 1.00 34.14 C ATOM 0 H ALA A 30 -8.600 -3.661 -4.524 1.00 34.34 H new ATOM 0 HA ALA A 30 -6.862 -2.151 -2.869 1.00 52.30 H new ATOM 0 HB1 ALA A 30 -5.112 -3.557 -3.905 1.00 34.14 H new ATOM 0 HB2 ALA A 30 -6.512 -4.521 -3.377 1.00 34.14 H new ATOM 0 HB3 ALA A 30 -6.296 -4.136 -5.101 1.00 34.14 H new ATOM 407 N LYS A 31 -7.036 -1.266 -5.999 1.00 44.00 N ATOM 408 CA LYS A 31 -6.626 -0.240 -6.954 1.00 62.45 C ATOM 409 C LYS A 31 -7.163 1.140 -6.569 1.00 43.53 C ATOM 410 O LYS A 31 -6.682 2.161 -7.060 1.00 61.44 O ATOM 411 CB LYS A 31 -7.076 -0.609 -8.368 1.00 42.54 C ATOM 412 CG LYS A 31 -8.559 -0.902 -8.487 1.00 2.03 C ATOM 413 CD LYS A 31 -8.906 -1.403 -9.876 1.00 63.42 C ATOM 414 CE LYS A 31 -10.337 -1.904 -9.947 1.00 20.32 C ATOM 415 NZ LYS A 31 -10.649 -2.486 -11.276 1.00 61.30 N ATOM 0 H LYS A 31 -7.789 -1.871 -6.326 1.00 44.00 H new ATOM 0 HA LYS A 31 -5.537 -0.191 -6.931 1.00 62.45 H new ATOM 0 HB2 LYS A 31 -6.822 0.208 -9.044 1.00 42.54 H new ATOM 0 HB3 LYS A 31 -6.516 -1.483 -8.700 1.00 42.54 H new ATOM 0 HG2 LYS A 31 -8.846 -1.648 -7.746 1.00 2.03 H new ATOM 0 HG3 LYS A 31 -9.130 0.001 -8.269 1.00 2.03 H new ATOM 0 HD2 LYS A 31 -8.765 -0.600 -10.599 1.00 63.42 H new ATOM 0 HD3 LYS A 31 -8.224 -2.206 -10.155 1.00 63.42 H new ATOM 0 HE2 LYS A 31 -10.498 -2.655 -9.174 1.00 20.32 H new ATOM 0 HE3 LYS A 31 -11.021 -1.081 -9.740 1.00 20.32 H new ATOM 0 HZ1 LYS A 31 -11.635 -2.817 -11.287 1.00 61.30 H new ATOM 0 HZ2 LYS A 31 -10.519 -1.762 -12.011 1.00 61.30 H new ATOM 0 HZ3 LYS A 31 -10.012 -3.287 -11.462 1.00 61.30 H new ATOM 429 N CYS A 32 -8.153 1.169 -5.684 1.00 3.03 N ATOM 430 CA CYS A 32 -8.690 2.430 -5.179 1.00 4.32 C ATOM 431 C CYS A 32 -7.678 3.087 -4.248 1.00 72.10 C ATOM 432 O CYS A 32 -7.669 4.302 -4.080 1.00 25.00 O ATOM 433 CB CYS A 32 -10.009 2.193 -4.440 1.00 61.24 C ATOM 434 SG CYS A 32 -11.265 1.350 -5.430 1.00 74.43 S ATOM 0 H CYS A 32 -8.600 0.336 -5.301 1.00 3.03 H new ATOM 0 HA CYS A 32 -8.882 3.092 -6.023 1.00 4.32 H new ATOM 0 HB2 CYS A 32 -9.811 1.604 -3.545 1.00 61.24 H new ATOM 0 HB3 CYS A 32 -10.406 3.153 -4.109 1.00 61.24 H new ATOM 0 HG CYS A 32 -12.316 2.108 -5.534 1.00 74.43 H new ATOM 440 N LEU A 33 -6.798 2.265 -3.685 1.00 41.15 N ATOM 441 CA LEU A 33 -5.774 2.734 -2.758 1.00 60.44 C ATOM 442 C LEU A 33 -4.680 3.504 -3.504 1.00 44.33 C ATOM 443 O LEU A 33 -3.801 4.116 -2.894 1.00 55.30 O ATOM 444 CB LEU A 33 -5.171 1.539 -2.013 1.00 73.31 C ATOM 445 CG LEU A 33 -4.219 1.885 -0.869 1.00 23.23 C ATOM 446 CD1 LEU A 33 -4.952 2.652 0.220 1.00 31.15 C ATOM 447 CD2 LEU A 33 -3.588 0.621 -0.307 1.00 2.51 C ATOM 0 H LEU A 33 -6.774 1.260 -3.857 1.00 41.15 H new ATOM 0 HA LEU A 33 -6.233 3.412 -2.038 1.00 60.44 H new ATOM 0 HB2 LEU A 33 -5.985 0.934 -1.614 1.00 73.31 H new ATOM 0 HB3 LEU A 33 -4.636 0.918 -2.732 1.00 73.31 H new ATOM 0 HG LEU A 33 -3.424 2.522 -1.257 1.00 23.23 H new ATOM 0 HD11 LEU A 33 -4.259 2.890 1.027 1.00 31.15 H new ATOM 0 HD12 LEU A 33 -5.357 3.575 -0.195 1.00 31.15 H new ATOM 0 HD13 LEU A 33 -5.766 2.041 0.610 1.00 31.15 H new ATOM 0 HD21 LEU A 33 -2.912 0.883 0.507 1.00 2.51 H new ATOM 0 HD22 LEU A 33 -4.369 -0.040 0.068 1.00 2.51 H new ATOM 0 HD23 LEU A 33 -3.029 0.113 -1.093 1.00 2.51 H new ATOM 459 N ILE A 34 -4.737 3.456 -4.828 1.00 71.45 N ATOM 460 CA ILE A 34 -3.779 4.159 -5.667 1.00 63.11 C ATOM 461 C ILE A 34 -4.502 4.968 -6.735 1.00 64.21 C ATOM 462 O ILE A 34 -3.944 5.265 -7.790 1.00 1.35 O ATOM 463 CB ILE A 34 -2.801 3.181 -6.357 1.00 23.22 C ATOM 464 CG1 ILE A 34 -3.580 2.108 -7.123 1.00 44.30 C ATOM 465 CG2 ILE A 34 -1.867 2.545 -5.337 1.00 33.22 C ATOM 466 CD1 ILE A 34 -2.712 1.209 -7.971 1.00 4.03 C ATOM 0 H ILE A 34 -5.443 2.933 -5.346 1.00 71.45 H new ATOM 0 HA ILE A 34 -3.210 4.824 -5.018 1.00 63.11 H new ATOM 0 HB ILE A 34 -2.193 3.741 -7.067 1.00 23.22 H new ATOM 0 HG12 ILE A 34 -4.133 1.496 -6.410 1.00 44.30 H new ATOM 0 HG13 ILE A 34 -4.316 2.595 -7.763 1.00 44.30 H new ATOM 0 HG21 ILE A 34 -1.187 1.860 -5.844 1.00 33.22 H new ATOM 0 HG22 ILE A 34 -1.291 3.323 -4.836 1.00 33.22 H new ATOM 0 HG23 ILE A 34 -2.453 1.996 -4.600 1.00 33.22 H new ATOM 0 HD11 ILE A 34 -3.337 0.476 -8.482 1.00 4.03 H new ATOM 0 HD12 ILE A 34 -2.179 1.809 -8.709 1.00 4.03 H new ATOM 0 HD13 ILE A 34 -1.993 0.693 -7.335 1.00 4.03 H new ATOM 478 N ASP A 35 -5.742 5.337 -6.458 1.00 22.23 N ATOM 479 CA ASP A 35 -6.558 6.038 -7.444 1.00 14.30 C ATOM 480 C ASP A 35 -6.252 7.532 -7.467 1.00 72.23 C ATOM 481 O ASP A 35 -6.070 8.119 -8.538 1.00 74.41 O ATOM 482 CB ASP A 35 -8.047 5.823 -7.179 1.00 71.42 C ATOM 483 CG ASP A 35 -8.906 6.473 -8.245 1.00 33.41 C ATOM 484 OD1 ASP A 35 -9.031 5.895 -9.344 1.00 42.21 O ATOM 485 OD2 ASP A 35 -9.462 7.560 -7.991 1.00 4.34 O ATOM 0 H ASP A 35 -6.206 5.166 -5.566 1.00 22.23 H new ATOM 0 HA ASP A 35 -6.307 5.619 -8.419 1.00 14.30 H new ATOM 0 HB2 ASP A 35 -8.259 4.755 -7.142 1.00 71.42 H new ATOM 0 HB3 ASP A 35 -8.306 6.233 -6.203 1.00 71.42 H new ATOM 490 N GLY A 36 -6.191 8.146 -6.294 1.00 73.41 N ATOM 491 CA GLY A 36 -5.953 9.574 -6.223 1.00 32.42 C ATOM 492 C GLY A 36 -7.170 10.333 -5.732 1.00 54.22 C ATOM 493 O GLY A 36 -7.187 11.567 -5.727 1.00 11.04 O ATOM 0 H GLY A 36 -6.302 7.683 -5.392 1.00 73.41 H new ATOM 0 HA2 GLY A 36 -5.113 9.768 -5.557 1.00 32.42 H new ATOM 0 HA3 GLY A 36 -5.670 9.943 -7.209 1.00 32.42 H new ATOM 497 N ASP A 37 -8.186 9.594 -5.314 1.00 64.23 N ATOM 498 CA ASP A 37 -9.412 10.184 -4.798 1.00 25.44 C ATOM 499 C ASP A 37 -9.608 9.783 -3.349 1.00 32.22 C ATOM 500 O ASP A 37 -9.720 8.602 -3.037 1.00 63.51 O ATOM 501 CB ASP A 37 -10.623 9.739 -5.616 1.00 11.11 C ATOM 502 CG ASP A 37 -11.920 10.304 -5.073 1.00 32.04 C ATOM 503 OD1 ASP A 37 -12.138 11.530 -5.187 1.00 75.55 O ATOM 504 OD2 ASP A 37 -12.728 9.525 -4.535 1.00 52.22 O ATOM 0 H ASP A 37 -8.185 8.574 -5.322 1.00 64.23 H new ATOM 0 HA ASP A 37 -9.322 11.268 -4.872 1.00 25.44 H new ATOM 0 HB2 ASP A 37 -10.496 10.056 -6.651 1.00 11.11 H new ATOM 0 HB3 ASP A 37 -10.676 8.650 -5.620 1.00 11.11 H new ATOM 509 N THR A 38 -9.679 10.769 -2.471 1.00 73.24 N ATOM 510 CA THR A 38 -9.733 10.515 -1.039 1.00 72.31 C ATOM 511 C THR A 38 -11.088 9.961 -0.593 1.00 73.51 C ATOM 512 O THR A 38 -11.245 9.549 0.558 1.00 31.14 O ATOM 513 CB THR A 38 -9.410 11.796 -0.247 1.00 23.20 C ATOM 514 OG1 THR A 38 -10.225 12.879 -0.711 1.00 30.22 O ATOM 515 CG2 THR A 38 -7.943 12.165 -0.396 1.00 72.45 C ATOM 0 H THR A 38 -9.701 11.757 -2.725 1.00 73.24 H new ATOM 0 HA THR A 38 -8.980 9.755 -0.829 1.00 72.31 H new ATOM 0 HB THR A 38 -9.620 11.608 0.806 1.00 23.20 H new ATOM 0 HG1 THR A 38 -10.014 13.689 -0.201 1.00 30.22 H new ATOM 0 HG21 THR A 38 -7.737 13.073 0.171 1.00 72.45 H new ATOM 0 HG22 THR A 38 -7.323 11.352 -0.018 1.00 72.45 H new ATOM 0 HG23 THR A 38 -7.716 12.335 -1.448 1.00 72.45 H new ATOM 523 N GLU A 39 -12.066 9.956 -1.494 1.00 44.15 N ATOM 524 CA GLU A 39 -13.375 9.399 -1.189 1.00 11.34 C ATOM 525 C GLU A 39 -13.379 7.897 -1.432 1.00 51.13 C ATOM 526 O GLU A 39 -14.155 7.159 -0.819 1.00 3.33 O ATOM 527 CB GLU A 39 -14.463 10.067 -2.027 1.00 62.20 C ATOM 528 CG GLU A 39 -14.694 11.524 -1.680 1.00 4.35 C ATOM 529 CD GLU A 39 -15.702 12.179 -2.595 1.00 33.03 C ATOM 530 OE1 GLU A 39 -16.891 11.800 -2.549 1.00 53.22 O ATOM 531 OE2 GLU A 39 -15.307 13.068 -3.381 1.00 35.31 O ATOM 0 H GLU A 39 -11.975 10.331 -2.438 1.00 44.15 H new ATOM 0 HA GLU A 39 -13.587 9.590 -0.137 1.00 11.34 H new ATOM 0 HB2 GLU A 39 -14.194 9.992 -3.081 1.00 62.20 H new ATOM 0 HB3 GLU A 39 -15.397 9.520 -1.897 1.00 62.20 H new ATOM 0 HG2 GLU A 39 -15.040 11.599 -0.649 1.00 4.35 H new ATOM 0 HG3 GLU A 39 -13.749 12.063 -1.739 1.00 4.35 H new ATOM 538 N THR A 40 -12.516 7.453 -2.332 1.00 1.42 N ATOM 539 CA THR A 40 -12.363 6.038 -2.597 1.00 23.50 C ATOM 540 C THR A 40 -11.187 5.489 -1.808 1.00 44.21 C ATOM 541 O THR A 40 -10.140 6.119 -1.735 1.00 21.31 O ATOM 542 CB THR A 40 -12.171 5.755 -4.103 1.00 55.12 C ATOM 543 OG1 THR A 40 -11.040 6.468 -4.621 1.00 60.11 O ATOM 544 CG2 THR A 40 -13.413 6.153 -4.882 1.00 43.44 C ATOM 0 H THR A 40 -11.912 8.056 -2.890 1.00 1.42 H new ATOM 0 HA THR A 40 -13.279 5.538 -2.282 1.00 23.50 H new ATOM 0 HB THR A 40 -11.997 4.685 -4.218 1.00 55.12 H new ATOM 0 HG1 THR A 40 -10.654 7.026 -3.914 1.00 60.11 H new ATOM 0 HG21 THR A 40 -13.260 5.947 -5.941 1.00 43.44 H new ATOM 0 HG22 THR A 40 -14.268 5.581 -4.521 1.00 43.44 H new ATOM 0 HG23 THR A 40 -13.604 7.217 -4.744 1.00 43.44 H new ATOM 552 N PHE A 41 -11.366 4.320 -1.222 1.00 31.41 N ATOM 553 CA PHE A 41 -10.359 3.744 -0.351 1.00 53.31 C ATOM 554 C PHE A 41 -10.225 2.250 -0.591 1.00 44.25 C ATOM 555 O PHE A 41 -10.971 1.668 -1.379 1.00 41.44 O ATOM 556 CB PHE A 41 -10.711 4.015 1.121 1.00 3.53 C ATOM 557 CG PHE A 41 -12.098 3.586 1.523 1.00 3.03 C ATOM 558 CD1 PHE A 41 -12.387 2.252 1.770 1.00 41.10 C ATOM 559 CD2 PHE A 41 -13.109 4.522 1.664 1.00 32.00 C ATOM 560 CE1 PHE A 41 -13.658 1.862 2.145 1.00 23.50 C ATOM 561 CE2 PHE A 41 -14.382 4.138 2.039 1.00 50.35 C ATOM 562 CZ PHE A 41 -14.657 2.807 2.277 1.00 11.53 C ATOM 0 H PHE A 41 -12.203 3.749 -1.334 1.00 31.41 H new ATOM 0 HA PHE A 41 -9.402 4.214 -0.579 1.00 53.31 H new ATOM 0 HB2 PHE A 41 -9.988 3.501 1.754 1.00 3.53 H new ATOM 0 HB3 PHE A 41 -10.604 5.082 1.316 1.00 3.53 H new ATOM 0 HD1 PHE A 41 -11.609 1.510 1.668 1.00 41.10 H new ATOM 0 HD2 PHE A 41 -12.900 5.565 1.478 1.00 32.00 H new ATOM 0 HE1 PHE A 41 -13.870 0.820 2.335 1.00 23.50 H new ATOM 0 HE2 PHE A 41 -15.161 4.879 2.146 1.00 50.35 H new ATOM 0 HZ PHE A 41 -15.653 2.504 2.566 1.00 11.53 H new ATOM 572 N TRP A 42 -9.271 1.639 0.089 1.00 61.33 N ATOM 573 CA TRP A 42 -9.116 0.196 0.069 1.00 13.32 C ATOM 574 C TRP A 42 -9.605 -0.387 1.383 1.00 34.03 C ATOM 575 O TRP A 42 -9.281 0.124 2.461 1.00 51.05 O ATOM 576 CB TRP A 42 -7.655 -0.197 -0.166 1.00 71.24 C ATOM 577 CG TRP A 42 -7.392 -1.660 0.050 1.00 61.54 C ATOM 578 CD1 TRP A 42 -7.810 -2.694 -0.736 1.00 42.32 C ATOM 579 CD2 TRP A 42 -6.661 -2.247 1.131 1.00 1.32 C ATOM 580 NE1 TRP A 42 -7.379 -3.888 -0.212 1.00 42.53 N ATOM 581 CE2 TRP A 42 -6.674 -3.641 0.934 1.00 71.31 C ATOM 582 CE3 TRP A 42 -5.996 -1.731 2.245 1.00 61.23 C ATOM 583 CZ2 TRP A 42 -6.048 -4.521 1.810 1.00 4.42 C ATOM 584 CZ3 TRP A 42 -5.374 -2.606 3.114 1.00 74.20 C ATOM 585 CH2 TRP A 42 -5.402 -3.988 2.891 1.00 31.14 C ATOM 0 H TRP A 42 -8.586 2.126 0.667 1.00 61.33 H new ATOM 0 HA TRP A 42 -9.711 -0.204 -0.752 1.00 13.32 H new ATOM 0 HB2 TRP A 42 -7.374 0.069 -1.185 1.00 71.24 H new ATOM 0 HB3 TRP A 42 -7.018 0.382 0.502 1.00 71.24 H new ATOM 0 HD1 TRP A 42 -8.394 -2.589 -1.638 1.00 42.32 H new ATOM 0 HE1 TRP A 42 -7.556 -4.809 -0.612 1.00 42.53 H new ATOM 0 HE3 TRP A 42 -5.968 -0.666 2.424 1.00 61.23 H new ATOM 0 HZ2 TRP A 42 -6.071 -5.588 1.643 1.00 4.42 H new ATOM 0 HZ3 TRP A 42 -4.858 -2.218 3.980 1.00 74.20 H new ATOM 0 HH2 TRP A 42 -4.903 -4.646 3.587 1.00 31.14 H new ATOM 596 N HIS A 43 -10.382 -1.449 1.294 1.00 60.43 N ATOM 597 CA HIS A 43 -10.888 -2.115 2.472 1.00 2.10 C ATOM 598 C HIS A 43 -10.669 -3.611 2.333 1.00 74.00 C ATOM 599 O HIS A 43 -10.753 -4.154 1.233 1.00 13.52 O ATOM 600 CB HIS A 43 -12.378 -1.813 2.658 1.00 60.42 C ATOM 601 CG HIS A 43 -12.878 -2.088 4.043 1.00 12.34 C ATOM 602 ND1 HIS A 43 -13.184 -3.341 4.523 1.00 55.21 N ATOM 603 CD2 HIS A 43 -13.120 -1.231 5.065 1.00 33.21 C ATOM 604 CE1 HIS A 43 -13.590 -3.209 5.790 1.00 42.40 C ATOM 605 NE2 HIS A 43 -13.571 -1.947 6.169 1.00 22.13 N ATOM 0 H HIS A 43 -10.676 -1.869 0.412 1.00 60.43 H new ATOM 0 HA HIS A 43 -10.354 -1.750 3.349 1.00 2.10 H new ATOM 0 HB2 HIS A 43 -12.561 -0.766 2.416 1.00 60.42 H new ATOM 0 HB3 HIS A 43 -12.952 -2.409 1.949 1.00 60.42 H new ATOM 0 HD1 HIS A 43 -13.113 -4.216 4.004 1.00 55.21 H new ATOM 0 HD2 HIS A 43 -12.984 -0.160 5.028 1.00 33.21 H new ATOM 0 HE1 HIS A 43 -13.894 -4.031 6.421 1.00 42.40 H new ATOM 613 N ALA A 44 -10.361 -4.267 3.436 1.00 13.30 N ATOM 614 CA ALA A 44 -10.209 -5.712 3.436 1.00 62.21 C ATOM 615 C ALA A 44 -11.559 -6.384 3.217 1.00 13.12 C ATOM 616 O ALA A 44 -12.597 -5.851 3.615 1.00 43.24 O ATOM 617 CB ALA A 44 -9.582 -6.183 4.739 1.00 40.04 C ATOM 0 H ALA A 44 -10.211 -3.824 4.343 1.00 13.30 H new ATOM 0 HA ALA A 44 -9.545 -5.992 2.618 1.00 62.21 H new ATOM 0 HB1 ALA A 44 -9.476 -7.268 4.721 1.00 40.04 H new ATOM 0 HB2 ALA A 44 -8.600 -5.724 4.857 1.00 40.04 H new ATOM 0 HB3 ALA A 44 -10.220 -5.895 5.575 1.00 40.04 H new ATOM 623 N LYS A 45 -11.536 -7.540 2.575 1.00 13.24 N ATOM 624 CA LYS A 45 -12.746 -8.299 2.296 1.00 5.54 C ATOM 625 C LYS A 45 -13.360 -8.799 3.598 1.00 65.11 C ATOM 626 O LYS A 45 -12.746 -9.587 4.319 1.00 31.11 O ATOM 627 CB LYS A 45 -12.392 -9.474 1.383 1.00 13.11 C ATOM 628 CG LYS A 45 -13.545 -10.404 1.048 1.00 73.52 C ATOM 629 CD LYS A 45 -13.029 -11.632 0.321 1.00 62.41 C ATOM 630 CE LYS A 45 -14.124 -12.642 0.038 1.00 31.55 C ATOM 631 NZ LYS A 45 -13.555 -13.941 -0.406 1.00 52.44 N ATOM 0 H LYS A 45 -10.681 -7.979 2.233 1.00 13.24 H new ATOM 0 HA LYS A 45 -13.477 -7.662 1.798 1.00 5.54 H new ATOM 0 HB2 LYS A 45 -11.982 -9.080 0.453 1.00 13.11 H new ATOM 0 HB3 LYS A 45 -11.602 -10.057 1.857 1.00 13.11 H new ATOM 0 HG2 LYS A 45 -14.060 -10.702 1.962 1.00 73.52 H new ATOM 0 HG3 LYS A 45 -14.274 -9.883 0.427 1.00 73.52 H new ATOM 0 HD2 LYS A 45 -12.569 -11.327 -0.619 1.00 62.41 H new ATOM 0 HD3 LYS A 45 -12.250 -12.104 0.919 1.00 62.41 H new ATOM 0 HE2 LYS A 45 -14.724 -12.793 0.935 1.00 31.55 H new ATOM 0 HE3 LYS A 45 -14.792 -12.253 -0.731 1.00 31.55 H new ATOM 0 HZ1 LYS A 45 -14.327 -14.613 -0.592 1.00 52.44 H new ATOM 0 HZ2 LYS A 45 -13.002 -13.799 -1.275 1.00 52.44 H new ATOM 0 HZ3 LYS A 45 -12.937 -14.322 0.339 1.00 52.44 H new ATOM 645 N TRP A 46 -14.561 -8.335 3.907 1.00 2.33 N ATOM 646 CA TRP A 46 -15.205 -8.705 5.156 1.00 43.33 C ATOM 647 C TRP A 46 -16.563 -9.347 4.908 1.00 54.14 C ATOM 648 O TRP A 46 -17.031 -10.157 5.715 1.00 63.33 O ATOM 649 CB TRP A 46 -15.340 -7.489 6.087 1.00 74.23 C ATOM 650 CG TRP A 46 -16.228 -6.392 5.570 1.00 53.30 C ATOM 651 CD1 TRP A 46 -15.857 -5.332 4.794 1.00 41.43 C ATOM 652 CD2 TRP A 46 -17.634 -6.240 5.806 1.00 32.01 C ATOM 653 NE1 TRP A 46 -16.942 -4.527 4.542 1.00 53.41 N ATOM 654 CE2 TRP A 46 -18.045 -5.067 5.144 1.00 54.54 C ATOM 655 CE3 TRP A 46 -18.584 -6.984 6.511 1.00 2.23 C ATOM 656 CZ2 TRP A 46 -19.363 -4.623 5.168 1.00 30.23 C ATOM 657 CZ3 TRP A 46 -19.893 -6.542 6.530 1.00 62.40 C ATOM 658 CH2 TRP A 46 -20.272 -5.372 5.863 1.00 70.14 C ATOM 0 H TRP A 46 -15.105 -7.707 3.315 1.00 2.33 H new ATOM 0 HA TRP A 46 -14.571 -9.442 5.649 1.00 43.33 H new ATOM 0 HB2 TRP A 46 -15.727 -7.827 7.048 1.00 74.23 H new ATOM 0 HB3 TRP A 46 -14.347 -7.077 6.270 1.00 74.23 H new ATOM 0 HD1 TRP A 46 -14.856 -5.152 4.431 1.00 41.43 H new ATOM 0 HE1 TRP A 46 -16.927 -3.666 3.995 1.00 53.41 H new ATOM 0 HE3 TRP A 46 -18.300 -7.887 7.031 1.00 2.23 H new ATOM 0 HZ2 TRP A 46 -19.658 -3.719 4.656 1.00 30.23 H new ATOM 0 HZ3 TRP A 46 -20.637 -7.110 7.069 1.00 62.40 H new ATOM 0 HH2 TRP A 46 -21.303 -5.054 5.898 1.00 70.14 H new ATOM 669 N GLN A 47 -17.196 -8.998 3.797 1.00 55.21 N ATOM 670 CA GLN A 47 -18.510 -9.538 3.488 1.00 34.33 C ATOM 671 C GLN A 47 -18.377 -10.952 2.940 1.00 34.41 C ATOM 672 O GLN A 47 -17.925 -11.156 1.814 1.00 71.54 O ATOM 673 CB GLN A 47 -19.256 -8.650 2.491 1.00 11.34 C ATOM 674 CG GLN A 47 -20.692 -9.090 2.264 1.00 21.01 C ATOM 675 CD GLN A 47 -21.430 -8.212 1.276 1.00 0.14 C ATOM 676 OE1 GLN A 47 -21.429 -8.476 0.075 1.00 21.01 O ATOM 677 NE2 GLN A 47 -22.068 -7.166 1.771 1.00 50.54 N ATOM 0 H GLN A 47 -16.825 -8.350 3.102 1.00 55.21 H new ATOM 0 HA GLN A 47 -19.091 -9.565 4.410 1.00 34.33 H new ATOM 0 HB2 GLN A 47 -19.250 -7.622 2.853 1.00 11.34 H new ATOM 0 HB3 GLN A 47 -18.725 -8.656 1.539 1.00 11.34 H new ATOM 0 HG2 GLN A 47 -20.698 -10.119 1.903 1.00 21.01 H new ATOM 0 HG3 GLN A 47 -21.223 -9.083 3.216 1.00 21.01 H new ATOM 0 HE21 GLN A 47 -22.044 -6.982 2.774 1.00 50.54 H new ATOM 0 HE22 GLN A 47 -22.584 -6.543 1.150 1.00 50.54 H new ATOM 686 N GLY A 48 -18.760 -11.925 3.751 1.00 11.44 N ATOM 687 CA GLY A 48 -18.634 -13.309 3.355 1.00 45.12 C ATOM 688 C GLY A 48 -17.441 -13.977 4.003 1.00 43.24 C ATOM 689 O GLY A 48 -17.156 -15.148 3.746 1.00 1.52 O ATOM 0 H GLY A 48 -19.157 -11.779 4.679 1.00 11.44 H new ATOM 0 HA2 GLY A 48 -19.542 -13.848 3.625 1.00 45.12 H new ATOM 0 HA3 GLY A 48 -18.539 -13.369 2.271 1.00 45.12 H new ATOM 693 N GLY A 49 -16.741 -13.232 4.844 1.00 23.23 N ATOM 694 CA GLY A 49 -15.585 -13.772 5.528 1.00 20.23 C ATOM 695 C GLY A 49 -14.307 -13.078 5.112 1.00 33.41 C ATOM 696 O GLY A 49 -14.167 -12.675 3.957 1.00 22.31 O ATOM 0 H GLY A 49 -16.954 -12.259 5.066 1.00 23.23 H new ATOM 0 HA2 GLY A 49 -15.720 -13.669 6.605 1.00 20.23 H new ATOM 0 HA3 GLY A 49 -15.504 -14.838 5.317 1.00 20.23 H new ATOM 700 N SER A 50 -13.377 -12.944 6.044 1.00 3.42 N ATOM 701 CA SER A 50 -12.127 -12.249 5.785 1.00 64.34 C ATOM 702 C SER A 50 -11.067 -13.213 5.262 1.00 51.13 C ATOM 703 O SER A 50 -11.098 -14.410 5.559 1.00 0.10 O ATOM 704 CB SER A 50 -11.644 -11.547 7.057 1.00 15.35 C ATOM 705 OG SER A 50 -11.702 -12.416 8.179 1.00 53.51 O ATOM 0 H SER A 50 -13.466 -13.310 6.992 1.00 3.42 H new ATOM 0 HA SER A 50 -12.301 -11.496 5.016 1.00 64.34 H new ATOM 0 HB2 SER A 50 -10.621 -11.199 6.917 1.00 15.35 H new ATOM 0 HB3 SER A 50 -12.258 -10.666 7.244 1.00 15.35 H new ATOM 0 HG SER A 50 -11.683 -13.347 7.873 1.00 53.51 H new ATOM 711 N ASP A 51 -10.141 -12.685 4.473 1.00 65.33 N ATOM 712 CA ASP A 51 -9.097 -13.498 3.857 1.00 2.30 C ATOM 713 C ASP A 51 -7.961 -13.766 4.841 1.00 51.11 C ATOM 714 O ASP A 51 -7.803 -13.049 5.828 1.00 52.51 O ATOM 715 CB ASP A 51 -8.555 -12.808 2.598 1.00 11.04 C ATOM 716 CG ASP A 51 -9.608 -12.665 1.518 1.00 12.14 C ATOM 717 OD1 ASP A 51 -10.129 -13.698 1.047 1.00 42.02 O ATOM 718 OD2 ASP A 51 -9.925 -11.520 1.144 1.00 2.03 O ATOM 0 H ASP A 51 -10.090 -11.693 4.243 1.00 65.33 H new ATOM 0 HA ASP A 51 -9.537 -14.454 3.574 1.00 2.30 H new ATOM 0 HB2 ASP A 51 -8.174 -11.822 2.863 1.00 11.04 H new ATOM 0 HB3 ASP A 51 -7.713 -13.380 2.207 1.00 11.04 H new ATOM 723 N PRO A 52 -7.166 -14.817 4.596 1.00 14.33 N ATOM 724 CA PRO A 52 -6.041 -15.180 5.463 1.00 11.10 C ATOM 725 C PRO A 52 -4.873 -14.200 5.364 1.00 43.24 C ATOM 726 O PRO A 52 -4.673 -13.552 4.334 1.00 62.21 O ATOM 727 CB PRO A 52 -5.611 -16.562 4.948 1.00 63.41 C ATOM 728 CG PRO A 52 -6.693 -17.005 4.021 1.00 4.41 C ATOM 729 CD PRO A 52 -7.309 -15.752 3.476 1.00 13.31 C ATOM 0 HA PRO A 52 -6.334 -15.169 6.513 1.00 11.10 H new ATOM 0 HB2 PRO A 52 -4.653 -16.506 4.432 1.00 63.41 H new ATOM 0 HB3 PRO A 52 -5.489 -17.266 5.771 1.00 63.41 H new ATOM 0 HG2 PRO A 52 -6.290 -17.623 3.218 1.00 4.41 H new ATOM 0 HG3 PRO A 52 -7.434 -17.608 4.546 1.00 4.41 H new ATOM 0 HD2 PRO A 52 -6.791 -15.400 2.584 1.00 13.31 H new ATOM 0 HD3 PRO A 52 -8.353 -15.899 3.201 1.00 13.31 H new ATOM 737 N LEU A 53 -4.104 -14.109 6.438 1.00 72.43 N ATOM 738 CA LEU A 53 -2.917 -13.265 6.482 1.00 33.10 C ATOM 739 C LEU A 53 -1.687 -14.065 6.057 1.00 23.45 C ATOM 740 O LEU A 53 -1.686 -15.295 6.140 1.00 23.32 O ATOM 741 CB LEU A 53 -2.729 -12.707 7.897 1.00 52.02 C ATOM 742 CG LEU A 53 -3.576 -11.477 8.233 1.00 15.51 C ATOM 743 CD1 LEU A 53 -3.737 -11.334 9.738 1.00 34.24 C ATOM 744 CD2 LEU A 53 -2.931 -10.229 7.659 1.00 13.23 C ATOM 0 H LEU A 53 -4.284 -14.617 7.304 1.00 72.43 H new ATOM 0 HA LEU A 53 -3.045 -12.433 5.790 1.00 33.10 H new ATOM 0 HB2 LEU A 53 -2.961 -13.494 8.614 1.00 52.02 H new ATOM 0 HB3 LEU A 53 -1.678 -12.452 8.033 1.00 52.02 H new ATOM 0 HG LEU A 53 -4.563 -11.605 7.789 1.00 15.51 H new ATOM 0 HD11 LEU A 53 -4.342 -10.454 9.957 1.00 34.24 H new ATOM 0 HD12 LEU A 53 -4.229 -12.221 10.137 1.00 34.24 H new ATOM 0 HD13 LEU A 53 -2.756 -11.224 10.200 1.00 34.24 H new ATOM 0 HD21 LEU A 53 -3.541 -9.359 7.903 1.00 13.23 H new ATOM 0 HD22 LEU A 53 -1.935 -10.105 8.085 1.00 13.23 H new ATOM 0 HD23 LEU A 53 -2.853 -10.325 6.576 1.00 13.23 H new ATOM 756 N PRO A 54 -0.614 -13.391 5.606 1.00 23.32 N ATOM 757 CA PRO A 54 -0.541 -11.929 5.549 1.00 13.22 C ATOM 758 C PRO A 54 -1.198 -11.353 4.297 1.00 4.04 C ATOM 759 O PRO A 54 -1.515 -12.083 3.355 1.00 41.34 O ATOM 760 CB PRO A 54 0.961 -11.674 5.525 1.00 31.00 C ATOM 761 CG PRO A 54 1.526 -12.842 4.796 1.00 35.24 C ATOM 762 CD PRO A 54 0.627 -14.016 5.105 1.00 64.32 C ATOM 0 HA PRO A 54 -1.067 -11.457 6.379 1.00 13.22 H new ATOM 0 HB2 PRO A 54 1.197 -10.738 5.018 1.00 31.00 H new ATOM 0 HB3 PRO A 54 1.367 -11.601 6.534 1.00 31.00 H new ATOM 0 HG2 PRO A 54 1.559 -12.651 3.723 1.00 35.24 H new ATOM 0 HG3 PRO A 54 2.549 -13.042 5.116 1.00 35.24 H new ATOM 0 HD2 PRO A 54 0.440 -14.620 4.217 1.00 64.32 H new ATOM 0 HD3 PRO A 54 1.072 -14.675 5.851 1.00 64.32 H new ATOM 770 N TYR A 55 -1.399 -10.046 4.295 1.00 73.33 N ATOM 771 CA TYR A 55 -1.985 -9.368 3.150 1.00 44.33 C ATOM 772 C TYR A 55 -0.901 -8.674 2.336 1.00 1.32 C ATOM 773 O TYR A 55 -0.331 -7.681 2.777 1.00 35.24 O ATOM 774 CB TYR A 55 -3.025 -8.336 3.596 1.00 32.13 C ATOM 775 CG TYR A 55 -4.232 -8.921 4.299 1.00 54.31 C ATOM 776 CD1 TYR A 55 -4.908 -10.014 3.774 1.00 61.42 C ATOM 777 CD2 TYR A 55 -4.705 -8.364 5.480 1.00 44.24 C ATOM 778 CE1 TYR A 55 -6.018 -10.537 4.408 1.00 53.32 C ATOM 779 CE2 TYR A 55 -5.818 -8.879 6.116 1.00 70.35 C ATOM 780 CZ TYR A 55 -6.469 -9.964 5.575 1.00 35.31 C ATOM 781 OH TYR A 55 -7.578 -10.473 6.198 1.00 61.12 O ATOM 0 H TYR A 55 -1.165 -9.432 5.075 1.00 73.33 H new ATOM 0 HA TYR A 55 -2.479 -10.119 2.534 1.00 44.33 H new ATOM 0 HB2 TYR A 55 -2.544 -7.620 4.263 1.00 32.13 H new ATOM 0 HB3 TYR A 55 -3.364 -7.780 2.722 1.00 32.13 H new ATOM 0 HD1 TYR A 55 -4.560 -10.463 2.855 1.00 61.42 H new ATOM 0 HD2 TYR A 55 -4.194 -7.514 5.908 1.00 44.24 H new ATOM 0 HE1 TYR A 55 -6.529 -11.391 3.990 1.00 53.32 H new ATOM 0 HE2 TYR A 55 -6.175 -8.433 7.032 1.00 70.35 H new ATOM 0 HH TYR A 55 -7.794 -11.349 5.816 1.00 61.12 H new ATOM 791 N ASP A 56 -0.615 -9.203 1.157 1.00 2.24 N ATOM 792 CA ASP A 56 0.377 -8.604 0.275 1.00 65.44 C ATOM 793 C ASP A 56 -0.298 -7.973 -0.932 1.00 1.43 C ATOM 794 O ASP A 56 -1.089 -8.618 -1.623 1.00 1.22 O ATOM 795 CB ASP A 56 1.403 -9.637 -0.201 1.00 52.10 C ATOM 796 CG ASP A 56 2.385 -10.042 0.879 1.00 21.25 C ATOM 797 OD1 ASP A 56 3.338 -9.278 1.140 1.00 53.42 O ATOM 798 OD2 ASP A 56 2.227 -11.144 1.448 1.00 73.34 O ATOM 0 H ASP A 56 -1.055 -10.046 0.788 1.00 2.24 H new ATOM 0 HA ASP A 56 0.898 -7.836 0.847 1.00 65.44 H new ATOM 0 HB2 ASP A 56 0.878 -10.523 -0.557 1.00 52.10 H new ATOM 0 HB3 ASP A 56 1.953 -9.230 -1.049 1.00 52.10 H new ATOM 803 N ILE A 57 -0.001 -6.707 -1.169 1.00 32.32 N ATOM 804 CA ILE A 57 -0.515 -6.007 -2.335 1.00 23.04 C ATOM 805 C ILE A 57 0.643 -5.514 -3.192 1.00 24.11 C ATOM 806 O ILE A 57 1.458 -4.710 -2.745 1.00 41.30 O ATOM 807 CB ILE A 57 -1.396 -4.807 -1.935 1.00 11.03 C ATOM 808 CG1 ILE A 57 -2.493 -5.248 -0.967 1.00 5.42 C ATOM 809 CG2 ILE A 57 -2.010 -4.169 -3.173 1.00 34.33 C ATOM 810 CD1 ILE A 57 -3.317 -4.101 -0.434 1.00 40.03 C ATOM 0 H ILE A 57 0.596 -6.140 -0.567 1.00 32.32 H new ATOM 0 HA ILE A 57 -1.129 -6.709 -2.899 1.00 23.04 H new ATOM 0 HB ILE A 57 -0.770 -4.069 -1.434 1.00 11.03 H new ATOM 0 HG12 ILE A 57 -3.151 -5.955 -1.473 1.00 5.42 H new ATOM 0 HG13 ILE A 57 -2.038 -5.779 -0.131 1.00 5.42 H new ATOM 0 HG21 ILE A 57 -2.630 -3.323 -2.877 1.00 34.33 H new ATOM 0 HG22 ILE A 57 -1.217 -3.823 -3.836 1.00 34.33 H new ATOM 0 HG23 ILE A 57 -2.624 -4.903 -3.694 1.00 34.33 H new ATOM 0 HD11 ILE A 57 -4.077 -4.484 0.247 1.00 40.03 H new ATOM 0 HD12 ILE A 57 -2.670 -3.405 0.100 1.00 40.03 H new ATOM 0 HD13 ILE A 57 -3.800 -3.584 -1.263 1.00 40.03 H new ATOM 822 N VAL A 58 0.717 -6.008 -4.415 1.00 11.11 N ATOM 823 CA VAL A 58 1.804 -5.659 -5.314 1.00 1.04 C ATOM 824 C VAL A 58 1.332 -4.660 -6.363 1.00 5.02 C ATOM 825 O VAL A 58 0.481 -4.976 -7.198 1.00 45.23 O ATOM 826 CB VAL A 58 2.367 -6.913 -6.012 1.00 22.23 C ATOM 827 CG1 VAL A 58 3.576 -6.561 -6.866 1.00 63.44 C ATOM 828 CG2 VAL A 58 2.723 -7.977 -4.985 1.00 1.22 C ATOM 0 H VAL A 58 0.034 -6.655 -4.810 1.00 11.11 H new ATOM 0 HA VAL A 58 2.595 -5.205 -4.717 1.00 1.04 H new ATOM 0 HB VAL A 58 1.596 -7.314 -6.670 1.00 22.23 H new ATOM 0 HG11 VAL A 58 3.956 -7.462 -7.348 1.00 63.44 H new ATOM 0 HG12 VAL A 58 3.285 -5.837 -7.627 1.00 63.44 H new ATOM 0 HG13 VAL A 58 4.354 -6.132 -6.235 1.00 63.44 H new ATOM 0 HG21 VAL A 58 3.119 -8.856 -5.494 1.00 1.22 H new ATOM 0 HG22 VAL A 58 3.475 -7.585 -4.300 1.00 1.22 H new ATOM 0 HG23 VAL A 58 1.831 -8.254 -4.424 1.00 1.22 H new ATOM 838 N ILE A 59 1.881 -3.458 -6.310 1.00 51.34 N ATOM 839 CA ILE A 59 1.522 -2.407 -7.250 1.00 22.24 C ATOM 840 C ILE A 59 2.679 -2.144 -8.209 1.00 51.12 C ATOM 841 O ILE A 59 3.837 -2.063 -7.795 1.00 65.54 O ATOM 842 CB ILE A 59 1.149 -1.079 -6.536 1.00 21.12 C ATOM 843 CG1 ILE A 59 0.023 -1.281 -5.512 1.00 51.45 C ATOM 844 CG2 ILE A 59 0.741 -0.023 -7.552 1.00 3.33 C ATOM 845 CD1 ILE A 59 0.506 -1.733 -4.150 1.00 74.05 C ATOM 0 H ILE A 59 2.582 -3.184 -5.621 1.00 51.34 H new ATOM 0 HA ILE A 59 0.646 -2.756 -7.796 1.00 22.24 H new ATOM 0 HB ILE A 59 2.035 -0.739 -6.000 1.00 21.12 H new ATOM 0 HG12 ILE A 59 -0.525 -0.346 -5.400 1.00 51.45 H new ATOM 0 HG13 ILE A 59 -0.680 -2.018 -5.900 1.00 51.45 H new ATOM 0 HG21 ILE A 59 0.483 0.900 -7.033 1.00 3.33 H new ATOM 0 HG22 ILE A 59 1.569 0.164 -8.235 1.00 3.33 H new ATOM 0 HG23 ILE A 59 -0.122 -0.375 -8.116 1.00 3.33 H new ATOM 0 HD11 ILE A 59 -0.347 -1.853 -3.483 1.00 74.05 H new ATOM 0 HD12 ILE A 59 1.028 -2.685 -4.247 1.00 74.05 H new ATOM 0 HD13 ILE A 59 1.185 -0.986 -3.739 1.00 74.05 H new ATOM 857 N ASP A 60 2.362 -2.029 -9.489 1.00 43.12 N ATOM 858 CA ASP A 60 3.361 -1.710 -10.499 1.00 63.23 C ATOM 859 C ASP A 60 3.301 -0.227 -10.831 1.00 53.34 C ATOM 860 O ASP A 60 2.259 0.279 -11.265 1.00 43.21 O ATOM 861 CB ASP A 60 3.137 -2.553 -11.759 1.00 63.22 C ATOM 862 CG ASP A 60 4.161 -2.288 -12.851 1.00 44.51 C ATOM 863 OD1 ASP A 60 5.200 -1.651 -12.576 1.00 65.34 O ATOM 864 OD2 ASP A 60 3.931 -2.732 -13.997 1.00 61.35 O ATOM 0 H ASP A 60 1.418 -2.152 -9.855 1.00 43.12 H new ATOM 0 HA ASP A 60 4.350 -1.944 -10.105 1.00 63.23 H new ATOM 0 HB2 ASP A 60 3.167 -3.609 -11.491 1.00 63.22 H new ATOM 0 HB3 ASP A 60 2.139 -2.352 -12.150 1.00 63.22 H new ATOM 869 N MET A 61 4.416 0.463 -10.610 1.00 21.11 N ATOM 870 CA MET A 61 4.496 1.904 -10.826 1.00 55.30 C ATOM 871 C MET A 61 4.856 2.218 -12.275 1.00 42.43 C ATOM 872 O MET A 61 4.890 3.382 -12.679 1.00 44.41 O ATOM 873 CB MET A 61 5.523 2.535 -9.879 1.00 70.50 C ATOM 874 CG MET A 61 5.240 2.260 -8.409 1.00 21.23 C ATOM 875 SD MET A 61 6.357 3.135 -7.291 1.00 23.03 S ATOM 876 CE MET A 61 7.937 2.431 -7.749 1.00 12.44 C ATOM 0 H MET A 61 5.284 0.043 -10.278 1.00 21.11 H new ATOM 0 HA MET A 61 3.515 2.330 -10.614 1.00 55.30 H new ATOM 0 HB2 MET A 61 6.515 2.157 -10.127 1.00 70.50 H new ATOM 0 HB3 MET A 61 5.542 3.613 -10.042 1.00 70.50 H new ATOM 0 HG2 MET A 61 4.213 2.547 -8.184 1.00 21.23 H new ATOM 0 HG3 MET A 61 5.319 1.189 -8.225 1.00 21.23 H new ATOM 0 HE1 MET A 61 8.719 2.851 -7.116 1.00 12.44 H new ATOM 0 HE2 MET A 61 7.905 1.349 -7.618 1.00 12.44 H new ATOM 0 HE3 MET A 61 8.150 2.664 -8.792 1.00 12.44 H new ATOM 886 N LYS A 62 5.146 1.163 -13.041 1.00 65.03 N ATOM 887 CA LYS A 62 5.361 1.260 -14.487 1.00 60.23 C ATOM 888 C LYS A 62 6.641 2.012 -14.860 1.00 2.51 C ATOM 889 O LYS A 62 6.896 2.249 -16.043 1.00 34.00 O ATOM 890 CB LYS A 62 4.156 1.929 -15.158 1.00 32.22 C ATOM 891 CG LYS A 62 2.857 1.174 -14.952 1.00 70.33 C ATOM 892 CD LYS A 62 2.939 -0.216 -15.549 1.00 31.34 C ATOM 893 CE LYS A 62 1.684 -1.024 -15.273 1.00 35.53 C ATOM 894 NZ LYS A 62 1.730 -2.351 -15.939 1.00 72.24 N ATOM 0 H LYS A 62 5.238 0.215 -12.675 1.00 65.03 H new ATOM 0 HA LYS A 62 5.476 0.238 -14.849 1.00 60.23 H new ATOM 0 HB2 LYS A 62 4.046 2.940 -14.766 1.00 32.22 H new ATOM 0 HB3 LYS A 62 4.349 2.021 -16.227 1.00 32.22 H new ATOM 0 HG2 LYS A 62 2.637 1.104 -13.887 1.00 70.33 H new ATOM 0 HG3 LYS A 62 2.035 1.724 -15.411 1.00 70.33 H new ATOM 0 HD2 LYS A 62 3.093 -0.141 -16.625 1.00 31.34 H new ATOM 0 HD3 LYS A 62 3.804 -0.737 -15.139 1.00 31.34 H new ATOM 0 HE2 LYS A 62 1.567 -1.160 -14.198 1.00 35.53 H new ATOM 0 HE3 LYS A 62 0.811 -0.472 -15.621 1.00 35.53 H new ATOM 0 HZ1 LYS A 62 0.762 -2.708 -16.069 1.00 72.24 H new ATOM 0 HZ2 LYS A 62 2.192 -2.258 -16.866 1.00 72.24 H new ATOM 0 HZ3 LYS A 62 2.268 -3.017 -15.349 1.00 72.24 H new ATOM 908 N GLN A 63 7.453 2.373 -13.874 1.00 23.01 N ATOM 909 CA GLN A 63 8.662 3.144 -14.140 1.00 61.40 C ATOM 910 C GLN A 63 9.610 3.108 -12.947 1.00 23.43 C ATOM 911 O GLN A 63 9.275 2.567 -11.895 1.00 35.33 O ATOM 912 CB GLN A 63 8.291 4.592 -14.481 1.00 32.42 C ATOM 913 CG GLN A 63 7.577 5.321 -13.355 1.00 5.31 C ATOM 914 CD GLN A 63 6.760 6.495 -13.850 1.00 60.12 C ATOM 915 OE1 GLN A 63 7.260 7.611 -13.967 1.00 21.34 O ATOM 916 NE2 GLN A 63 5.490 6.252 -14.132 1.00 4.45 N ATOM 0 H GLN A 63 7.299 2.147 -12.891 1.00 23.01 H new ATOM 0 HA GLN A 63 9.176 2.695 -14.990 1.00 61.40 H new ATOM 0 HB2 GLN A 63 9.198 5.139 -14.739 1.00 32.42 H new ATOM 0 HB3 GLN A 63 7.654 4.596 -15.366 1.00 32.42 H new ATOM 0 HG2 GLN A 63 6.924 4.623 -12.832 1.00 5.31 H new ATOM 0 HG3 GLN A 63 8.312 5.673 -12.631 1.00 5.31 H new ATOM 0 HE21 GLN A 63 5.114 5.310 -14.021 1.00 4.45 H new ATOM 0 HE22 GLN A 63 4.887 7.006 -14.460 1.00 4.45 H new ATOM 925 N ASN A 64 10.794 3.680 -13.129 1.00 51.14 N ATOM 926 CA ASN A 64 11.789 3.754 -12.066 1.00 3.15 C ATOM 927 C ASN A 64 11.500 4.934 -11.160 1.00 54.02 C ATOM 928 O ASN A 64 11.436 6.071 -11.618 1.00 34.24 O ATOM 929 CB ASN A 64 13.201 3.889 -12.647 1.00 10.42 C ATOM 930 CG ASN A 64 13.837 2.556 -12.993 1.00 33.24 C ATOM 931 OD1 ASN A 64 15.062 2.428 -13.006 1.00 10.51 O ATOM 932 ND2 ASN A 64 13.018 1.554 -13.259 1.00 42.41 N ATOM 0 H ASN A 64 11.090 4.102 -14.009 1.00 51.14 H new ATOM 0 HA ASN A 64 11.735 2.831 -11.489 1.00 3.15 H new ATOM 0 HB2 ASN A 64 13.160 4.508 -13.543 1.00 10.42 H new ATOM 0 HB3 ASN A 64 13.834 4.410 -11.929 1.00 10.42 H new ATOM 0 HD21 ASN A 64 13.395 0.634 -13.485 1.00 42.41 H new ATOM 0 HD22 ASN A 64 12.009 1.701 -13.238 1.00 42.41 H new ATOM 939 N ILE A 65 11.307 4.668 -9.885 1.00 71.21 N ATOM 940 CA ILE A 65 11.062 5.731 -8.928 1.00 1.43 C ATOM 941 C ILE A 65 11.940 5.555 -7.700 1.00 11.02 C ATOM 942 O ILE A 65 12.085 4.449 -7.177 1.00 21.03 O ATOM 943 CB ILE A 65 9.578 5.789 -8.508 1.00 22.04 C ATOM 944 CG1 ILE A 65 8.706 6.004 -9.747 1.00 5.23 C ATOM 945 CG2 ILE A 65 9.344 6.894 -7.482 1.00 33.15 C ATOM 946 CD1 ILE A 65 7.232 6.067 -9.452 1.00 74.01 C ATOM 0 H ILE A 65 11.315 3.729 -9.487 1.00 71.21 H new ATOM 0 HA ILE A 65 11.312 6.673 -9.417 1.00 1.43 H new ATOM 0 HB ILE A 65 9.305 4.843 -8.040 1.00 22.04 H new ATOM 0 HG12 ILE A 65 9.009 6.930 -10.236 1.00 5.23 H new ATOM 0 HG13 ILE A 65 8.891 5.195 -10.454 1.00 5.23 H new ATOM 0 HG21 ILE A 65 8.291 6.914 -7.203 1.00 33.15 H new ATOM 0 HG22 ILE A 65 9.951 6.703 -6.597 1.00 33.15 H new ATOM 0 HG23 ILE A 65 9.623 7.856 -7.913 1.00 33.15 H new ATOM 0 HD11 ILE A 65 6.681 6.221 -10.380 1.00 74.01 H new ATOM 0 HD12 ILE A 65 6.913 5.132 -8.992 1.00 74.01 H new ATOM 0 HD13 ILE A 65 7.032 6.894 -8.770 1.00 74.01 H new ATOM 958 N GLN A 66 12.545 6.648 -7.269 1.00 1.14 N ATOM 959 CA GLN A 66 13.361 6.655 -6.067 1.00 32.41 C ATOM 960 C GLN A 66 12.465 6.848 -4.852 1.00 1.32 C ATOM 961 O GLN A 66 11.965 7.946 -4.613 1.00 15.05 O ATOM 962 CB GLN A 66 14.399 7.777 -6.143 1.00 61.53 C ATOM 963 CG GLN A 66 15.358 7.827 -4.963 1.00 14.21 C ATOM 964 CD GLN A 66 16.260 6.613 -4.882 1.00 60.10 C ATOM 965 OE1 GLN A 66 16.581 5.988 -5.893 1.00 2.22 O ATOM 966 NE2 GLN A 66 16.694 6.286 -3.676 1.00 64.41 N ATOM 0 H GLN A 66 12.485 7.551 -7.739 1.00 1.14 H new ATOM 0 HA GLN A 66 13.886 5.704 -5.979 1.00 32.41 H new ATOM 0 HB2 GLN A 66 14.976 7.660 -7.060 1.00 61.53 H new ATOM 0 HB3 GLN A 66 13.879 8.732 -6.214 1.00 61.53 H new ATOM 0 HG2 GLN A 66 15.972 8.725 -5.039 1.00 14.21 H new ATOM 0 HG3 GLN A 66 14.785 7.909 -4.039 1.00 14.21 H new ATOM 0 HE21 GLN A 66 16.403 6.831 -2.864 1.00 64.41 H new ATOM 0 HE22 GLN A 66 17.319 5.489 -3.558 1.00 64.41 H new ATOM 975 N ILE A 67 12.243 5.775 -4.106 1.00 34.24 N ATOM 976 CA ILE A 67 11.348 5.815 -2.959 1.00 73.22 C ATOM 977 C ILE A 67 12.005 6.547 -1.798 1.00 54.30 C ATOM 978 O ILE A 67 13.042 6.120 -1.292 1.00 61.31 O ATOM 979 CB ILE A 67 10.938 4.398 -2.490 1.00 21.55 C ATOM 980 CG1 ILE A 67 10.518 3.522 -3.681 1.00 31.11 C ATOM 981 CG2 ILE A 67 9.805 4.495 -1.477 1.00 52.53 C ATOM 982 CD1 ILE A 67 9.312 4.038 -4.433 1.00 51.43 C ATOM 0 H ILE A 67 12.671 4.865 -4.275 1.00 34.24 H new ATOM 0 HA ILE A 67 10.451 6.345 -3.278 1.00 73.22 H new ATOM 0 HB ILE A 67 11.801 3.929 -2.017 1.00 21.55 H new ATOM 0 HG12 ILE A 67 11.357 3.442 -4.373 1.00 31.11 H new ATOM 0 HG13 ILE A 67 10.305 2.516 -3.320 1.00 31.11 H new ATOM 0 HG21 ILE A 67 9.522 3.494 -1.151 1.00 52.53 H new ATOM 0 HG22 ILE A 67 10.135 5.077 -0.616 1.00 52.53 H new ATOM 0 HG23 ILE A 67 8.946 4.984 -1.937 1.00 52.53 H new ATOM 0 HD11 ILE A 67 9.081 3.363 -5.257 1.00 51.43 H new ATOM 0 HD12 ILE A 67 8.458 4.091 -3.758 1.00 51.43 H new ATOM 0 HD13 ILE A 67 9.526 5.032 -4.826 1.00 51.43 H new ATOM 994 N ALA A 68 11.410 7.660 -1.394 1.00 75.43 N ATOM 995 CA ALA A 68 11.937 8.443 -0.287 1.00 21.14 C ATOM 996 C ALA A 68 11.021 8.358 0.926 1.00 31.44 C ATOM 997 O ALA A 68 11.478 8.116 2.043 1.00 35.01 O ATOM 998 CB ALA A 68 12.141 9.890 -0.707 1.00 40.14 C ATOM 0 H ALA A 68 10.563 8.040 -1.816 1.00 75.43 H new ATOM 0 HA ALA A 68 12.904 8.026 -0.007 1.00 21.14 H new ATOM 0 HB1 ALA A 68 12.536 10.461 0.134 1.00 40.14 H new ATOM 0 HB2 ALA A 68 12.846 9.932 -1.537 1.00 40.14 H new ATOM 0 HB3 ALA A 68 11.188 10.316 -1.019 1.00 40.14 H new ATOM 1004 N GLN A 69 9.725 8.555 0.709 1.00 32.34 N ATOM 1005 CA GLN A 69 8.760 8.430 1.791 1.00 54.12 C ATOM 1006 C GLN A 69 7.479 7.780 1.293 1.00 53.43 C ATOM 1007 O GLN A 69 7.154 7.858 0.107 1.00 54.21 O ATOM 1008 CB GLN A 69 8.439 9.795 2.414 1.00 40.43 C ATOM 1009 CG GLN A 69 7.959 9.671 3.851 1.00 42.33 C ATOM 1010 CD GLN A 69 7.655 11.000 4.503 1.00 64.31 C ATOM 1011 OE1 GLN A 69 7.979 11.213 5.663 1.00 50.03 O ATOM 1012 NE2 GLN A 69 6.946 11.857 3.805 1.00 63.44 N ATOM 0 H GLN A 69 9.323 8.799 -0.196 1.00 32.34 H new ATOM 0 HA GLN A 69 9.208 7.798 2.558 1.00 54.12 H new ATOM 0 HB2 GLN A 69 9.328 10.425 2.383 1.00 40.43 H new ATOM 0 HB3 GLN A 69 7.674 10.293 1.819 1.00 40.43 H new ATOM 0 HG2 GLN A 69 7.063 9.051 3.874 1.00 42.33 H new ATOM 0 HG3 GLN A 69 8.719 9.154 4.436 1.00 42.33 H new ATOM 0 HE21 GLN A 69 6.695 11.644 2.840 1.00 63.44 H new ATOM 0 HE22 GLN A 69 6.646 12.735 4.228 1.00 63.44 H new ATOM 1021 N VAL A 70 6.779 7.114 2.202 1.00 22.41 N ATOM 1022 CA VAL A 70 5.480 6.538 1.901 1.00 43.04 C ATOM 1023 C VAL A 70 4.416 7.210 2.755 1.00 42.11 C ATOM 1024 O VAL A 70 4.512 7.229 3.985 1.00 32.24 O ATOM 1025 CB VAL A 70 5.452 5.012 2.145 1.00 30.12 C ATOM 1026 CG1 VAL A 70 4.079 4.438 1.832 1.00 2.40 C ATOM 1027 CG2 VAL A 70 6.519 4.323 1.310 1.00 50.42 C ATOM 0 H VAL A 70 7.094 6.960 3.160 1.00 22.41 H new ATOM 0 HA VAL A 70 5.278 6.708 0.843 1.00 43.04 H new ATOM 0 HB VAL A 70 5.663 4.831 3.199 1.00 30.12 H new ATOM 0 HG11 VAL A 70 4.085 3.363 2.011 1.00 2.40 H new ATOM 0 HG12 VAL A 70 3.333 4.909 2.472 1.00 2.40 H new ATOM 0 HG13 VAL A 70 3.834 4.630 0.787 1.00 2.40 H new ATOM 0 HG21 VAL A 70 6.487 3.249 1.493 1.00 50.42 H new ATOM 0 HG22 VAL A 70 6.336 4.517 0.253 1.00 50.42 H new ATOM 0 HG23 VAL A 70 7.501 4.708 1.584 1.00 50.42 H new ATOM 1037 N GLU A 71 3.420 7.774 2.099 1.00 24.23 N ATOM 1038 CA GLU A 71 2.355 8.487 2.783 1.00 50.53 C ATOM 1039 C GLU A 71 1.087 7.642 2.831 1.00 44.31 C ATOM 1040 O GLU A 71 0.563 7.221 1.799 1.00 22.24 O ATOM 1041 CB GLU A 71 2.062 9.829 2.099 1.00 14.41 C ATOM 1042 CG GLU A 71 3.132 10.895 2.312 1.00 44.15 C ATOM 1043 CD GLU A 71 4.386 10.688 1.473 1.00 43.13 C ATOM 1044 OE1 GLU A 71 4.342 9.906 0.504 1.00 15.35 O ATOM 1045 OE2 GLU A 71 5.420 11.337 1.770 1.00 5.23 O ATOM 0 H GLU A 71 3.325 7.752 1.084 1.00 24.23 H new ATOM 0 HA GLU A 71 2.688 8.683 3.802 1.00 50.53 H new ATOM 0 HB2 GLU A 71 1.945 9.659 1.029 1.00 14.41 H new ATOM 0 HB3 GLU A 71 1.109 10.210 2.467 1.00 14.41 H new ATOM 0 HG2 GLU A 71 2.709 11.872 2.080 1.00 44.15 H new ATOM 0 HG3 GLU A 71 3.410 10.911 3.366 1.00 44.15 H new ATOM 1052 N LEU A 72 0.597 7.397 4.036 1.00 22.11 N ATOM 1053 CA LEU A 72 -0.611 6.608 4.219 1.00 40.31 C ATOM 1054 C LEU A 72 -1.724 7.471 4.776 1.00 40.41 C ATOM 1055 O LEU A 72 -1.567 8.098 5.821 1.00 51.34 O ATOM 1056 CB LEU A 72 -0.368 5.426 5.165 1.00 1.40 C ATOM 1057 CG LEU A 72 0.592 4.353 4.653 1.00 25.32 C ATOM 1058 CD1 LEU A 72 0.651 3.184 5.626 1.00 74.21 C ATOM 1059 CD2 LEU A 72 0.170 3.877 3.273 1.00 71.41 C ATOM 0 H LEU A 72 1.017 7.733 4.902 1.00 22.11 H new ATOM 0 HA LEU A 72 -0.900 6.220 3.242 1.00 40.31 H new ATOM 0 HB2 LEU A 72 0.018 5.813 6.108 1.00 1.40 H new ATOM 0 HB3 LEU A 72 -1.327 4.955 5.382 1.00 1.40 H new ATOM 0 HG LEU A 72 1.588 4.789 4.577 1.00 25.32 H new ATOM 0 HD11 LEU A 72 1.339 2.429 5.246 1.00 74.21 H new ATOM 0 HD12 LEU A 72 0.999 3.536 6.597 1.00 74.21 H new ATOM 0 HD13 LEU A 72 -0.343 2.749 5.732 1.00 74.21 H new ATOM 0 HD21 LEU A 72 0.865 3.113 2.923 1.00 71.41 H new ATOM 0 HD22 LEU A 72 -0.835 3.458 3.324 1.00 71.41 H new ATOM 0 HD23 LEU A 72 0.177 4.718 2.580 1.00 71.41 H new ATOM 1071 N LEU A 73 -2.838 7.516 4.074 1.00 54.44 N ATOM 1072 CA LEU A 73 -4.001 8.232 4.561 1.00 14.53 C ATOM 1073 C LEU A 73 -5.010 7.237 5.119 1.00 3.44 C ATOM 1074 O LEU A 73 -5.713 6.574 4.360 1.00 74.13 O ATOM 1075 CB LEU A 73 -4.633 9.065 3.447 1.00 1.20 C ATOM 1076 CG LEU A 73 -5.632 10.115 3.926 1.00 61.45 C ATOM 1077 CD1 LEU A 73 -4.938 11.110 4.842 1.00 54.02 C ATOM 1078 CD2 LEU A 73 -6.265 10.828 2.743 1.00 74.14 C ATOM 0 H LEU A 73 -2.963 7.067 3.167 1.00 54.44 H new ATOM 0 HA LEU A 73 -3.690 8.914 5.353 1.00 14.53 H new ATOM 0 HB2 LEU A 73 -3.840 9.565 2.891 1.00 1.20 H new ATOM 0 HB3 LEU A 73 -5.137 8.394 2.751 1.00 1.20 H new ATOM 0 HG LEU A 73 -6.425 9.617 4.485 1.00 61.45 H new ATOM 0 HD11 LEU A 73 -5.657 11.856 5.180 1.00 54.02 H new ATOM 0 HD12 LEU A 73 -4.527 10.585 5.705 1.00 54.02 H new ATOM 0 HD13 LEU A 73 -4.131 11.603 4.299 1.00 54.02 H new ATOM 0 HD21 LEU A 73 -6.974 11.573 3.104 1.00 74.14 H new ATOM 0 HD22 LEU A 73 -5.489 11.320 2.157 1.00 74.14 H new ATOM 0 HD23 LEU A 73 -6.787 10.103 2.118 1.00 74.14 H new ATOM 1090 N PRO A 74 -5.064 7.097 6.451 1.00 4.10 N ATOM 1091 CA PRO A 74 -5.916 6.112 7.120 1.00 62.43 C ATOM 1092 C PRO A 74 -7.392 6.508 7.125 1.00 52.25 C ATOM 1093 O PRO A 74 -7.743 7.651 6.830 1.00 3.13 O ATOM 1094 CB PRO A 74 -5.374 6.068 8.560 1.00 63.43 C ATOM 1095 CG PRO A 74 -4.161 6.945 8.575 1.00 15.31 C ATOM 1096 CD PRO A 74 -4.295 7.886 7.415 1.00 74.02 C ATOM 0 HA PRO A 74 -5.882 5.151 6.607 1.00 62.43 H new ATOM 0 HB2 PRO A 74 -6.121 6.425 9.269 1.00 63.43 H new ATOM 0 HB3 PRO A 74 -5.121 5.048 8.850 1.00 63.43 H new ATOM 0 HG2 PRO A 74 -4.093 7.495 9.514 1.00 15.31 H new ATOM 0 HG3 PRO A 74 -3.252 6.350 8.487 1.00 15.31 H new ATOM 0 HD2 PRO A 74 -4.814 8.803 7.695 1.00 74.02 H new ATOM 0 HD3 PRO A 74 -3.324 8.179 7.016 1.00 74.02 H new ATOM 1191 N ASN A 81 -9.779 0.063 12.497 1.00 0.32 N ATOM 1192 CA ASN A 81 -8.479 -0.299 11.928 1.00 51.20 C ATOM 1193 C ASN A 81 -7.609 -1.074 12.915 1.00 4.24 C ATOM 1194 O ASN A 81 -6.766 -0.499 13.602 1.00 25.20 O ATOM 1195 CB ASN A 81 -7.726 0.938 11.428 1.00 74.22 C ATOM 1196 CG ASN A 81 -8.168 1.371 10.044 1.00 1.10 C ATOM 1197 OD1 ASN A 81 -9.304 1.134 9.634 1.00 32.51 O ATOM 1198 ND2 ASN A 81 -7.272 2.013 9.314 1.00 55.44 N ATOM 0 HA ASN A 81 -8.686 -0.953 11.081 1.00 51.20 H new ATOM 0 HB2 ASN A 81 -7.880 1.759 12.128 1.00 74.22 H new ATOM 0 HB3 ASN A 81 -6.657 0.727 11.414 1.00 74.22 H new ATOM 0 HD21 ASN A 81 -7.512 2.331 8.375 1.00 55.44 H new ATOM 0 HD22 ASN A 81 -6.340 2.190 9.690 1.00 55.44 H new ATOM 1205 N PRO A 82 -7.801 -2.400 12.993 1.00 44.13 N ATOM 1206 CA PRO A 82 -6.984 -3.284 13.831 1.00 22.12 C ATOM 1207 C PRO A 82 -5.601 -3.535 13.220 1.00 43.11 C ATOM 1208 O PRO A 82 -5.052 -4.637 13.313 1.00 20.24 O ATOM 1209 CB PRO A 82 -7.791 -4.592 13.882 1.00 1.13 C ATOM 1210 CG PRO A 82 -9.095 -4.297 13.216 1.00 33.21 C ATOM 1211 CD PRO A 82 -8.844 -3.147 12.290 1.00 43.44 C ATOM 0 HA PRO A 82 -6.796 -2.852 14.814 1.00 22.12 H new ATOM 0 HB2 PRO A 82 -7.264 -5.396 13.369 1.00 1.13 H new ATOM 0 HB3 PRO A 82 -7.943 -4.917 14.911 1.00 1.13 H new ATOM 0 HG2 PRO A 82 -9.456 -5.166 12.667 1.00 33.21 H new ATOM 0 HG3 PRO A 82 -9.859 -4.044 13.951 1.00 33.21 H new ATOM 0 HD2 PRO A 82 -8.512 -3.482 11.307 1.00 43.44 H new ATOM 0 HD3 PRO A 82 -9.740 -2.546 12.136 1.00 43.44 H new ATOM 1219 N ILE A 83 -5.049 -2.502 12.600 1.00 41.41 N ATOM 1220 CA ILE A 83 -3.729 -2.576 11.999 1.00 3.23 C ATOM 1221 C ILE A 83 -2.696 -2.018 12.968 1.00 60.21 C ATOM 1222 O ILE A 83 -2.830 -0.892 13.450 1.00 22.53 O ATOM 1223 CB ILE A 83 -3.651 -1.779 10.678 1.00 62.01 C ATOM 1224 CG1 ILE A 83 -4.818 -2.141 9.759 1.00 51.25 C ATOM 1225 CG2 ILE A 83 -2.326 -2.054 9.979 1.00 61.45 C ATOM 1226 CD1 ILE A 83 -4.903 -1.274 8.519 1.00 31.25 C ATOM 0 H ILE A 83 -5.503 -1.594 12.501 1.00 41.41 H new ATOM 0 HA ILE A 83 -3.527 -3.624 11.780 1.00 3.23 H new ATOM 0 HB ILE A 83 -3.715 -0.716 10.911 1.00 62.01 H new ATOM 0 HG12 ILE A 83 -4.722 -3.184 9.457 1.00 51.25 H new ATOM 0 HG13 ILE A 83 -5.750 -2.055 10.317 1.00 51.25 H new ATOM 0 HG21 ILE A 83 -2.281 -1.488 9.049 1.00 61.45 H new ATOM 0 HG22 ILE A 83 -1.503 -1.753 10.627 1.00 61.45 H new ATOM 0 HG23 ILE A 83 -2.244 -3.119 9.760 1.00 61.45 H new ATOM 0 HD11 ILE A 83 -5.754 -1.587 7.914 1.00 31.25 H new ATOM 0 HD12 ILE A 83 -5.030 -0.232 8.812 1.00 31.25 H new ATOM 0 HD13 ILE A 83 -3.986 -1.379 7.938 1.00 31.25 H new ATOM 1238 N LYS A 84 -1.678 -2.804 13.259 1.00 11.23 N ATOM 1239 CA LYS A 84 -0.655 -2.401 14.205 1.00 31.11 C ATOM 1240 C LYS A 84 0.671 -2.174 13.500 1.00 14.14 C ATOM 1241 O LYS A 84 1.270 -1.108 13.617 1.00 53.03 O ATOM 1242 CB LYS A 84 -0.492 -3.465 15.289 1.00 12.13 C ATOM 1243 CG LYS A 84 -1.783 -3.790 16.020 1.00 44.13 C ATOM 1244 CD LYS A 84 -2.360 -2.564 16.705 1.00 43.42 C ATOM 1245 CE LYS A 84 -1.404 -2.002 17.743 1.00 64.14 C ATOM 1246 NZ LYS A 84 -1.794 -0.628 18.158 1.00 74.42 N ATOM 0 H LYS A 84 -1.537 -3.729 12.852 1.00 11.23 H new ATOM 0 HA LYS A 84 -0.967 -1.464 14.667 1.00 31.11 H new ATOM 0 HB2 LYS A 84 -0.101 -4.376 14.836 1.00 12.13 H new ATOM 0 HB3 LYS A 84 0.249 -3.125 16.012 1.00 12.13 H new ATOM 0 HG2 LYS A 84 -2.511 -4.190 15.314 1.00 44.13 H new ATOM 0 HG3 LYS A 84 -1.597 -4.568 16.761 1.00 44.13 H new ATOM 0 HD2 LYS A 84 -2.579 -1.799 15.960 1.00 43.42 H new ATOM 0 HD3 LYS A 84 -3.305 -2.824 17.182 1.00 43.42 H new ATOM 0 HE2 LYS A 84 -1.388 -2.655 18.615 1.00 64.14 H new ATOM 0 HE3 LYS A 84 -0.393 -1.987 17.337 1.00 64.14 H new ATOM 0 HZ1 LYS A 84 -1.120 -0.275 18.867 1.00 74.42 H new ATOM 0 HZ2 LYS A 84 -1.786 0.000 17.329 1.00 74.42 H new ATOM 0 HZ3 LYS A 84 -2.750 -0.647 18.568 1.00 74.42 H new ATOM 1260 N VAL A 85 1.119 -3.175 12.760 1.00 54.34 N ATOM 1261 CA VAL A 85 2.402 -3.104 12.083 1.00 54.32 C ATOM 1262 C VAL A 85 2.219 -3.225 10.576 1.00 75.05 C ATOM 1263 O VAL A 85 1.448 -4.058 10.101 1.00 61.03 O ATOM 1264 CB VAL A 85 3.356 -4.220 12.568 1.00 74.33 C ATOM 1265 CG1 VAL A 85 4.719 -4.100 11.906 1.00 31.44 C ATOM 1266 CG2 VAL A 85 3.494 -4.190 14.083 1.00 21.41 C ATOM 0 H VAL A 85 0.612 -4.048 12.613 1.00 54.34 H new ATOM 0 HA VAL A 85 2.842 -2.136 12.322 1.00 54.32 H new ATOM 0 HB VAL A 85 2.923 -5.178 12.280 1.00 74.33 H new ATOM 0 HG11 VAL A 85 5.370 -4.897 12.265 1.00 31.44 H new ATOM 0 HG12 VAL A 85 4.607 -4.183 10.825 1.00 31.44 H new ATOM 0 HG13 VAL A 85 5.159 -3.134 12.152 1.00 31.44 H new ATOM 0 HG21 VAL A 85 4.170 -4.983 14.403 1.00 21.41 H new ATOM 0 HG22 VAL A 85 3.895 -3.225 14.393 1.00 21.41 H new ATOM 0 HG23 VAL A 85 2.516 -4.340 14.540 1.00 21.41 H new ATOM 1276 N VAL A 86 2.938 -2.400 9.835 1.00 71.30 N ATOM 1277 CA VAL A 86 2.876 -2.415 8.385 1.00 73.32 C ATOM 1278 C VAL A 86 4.276 -2.510 7.799 1.00 3.14 C ATOM 1279 O VAL A 86 5.201 -1.826 8.246 1.00 62.44 O ATOM 1280 CB VAL A 86 2.159 -1.165 7.819 1.00 13.53 C ATOM 1281 CG1 VAL A 86 0.658 -1.271 8.027 1.00 32.11 C ATOM 1282 CG2 VAL A 86 2.691 0.108 8.463 1.00 42.03 C ATOM 0 H VAL A 86 3.578 -1.705 10.219 1.00 71.30 H new ATOM 0 HA VAL A 86 2.295 -3.291 8.097 1.00 73.32 H new ATOM 0 HB VAL A 86 2.362 -1.117 6.749 1.00 13.53 H new ATOM 0 HG11 VAL A 86 0.171 -0.383 7.623 1.00 32.11 H new ATOM 0 HG12 VAL A 86 0.281 -2.156 7.515 1.00 32.11 H new ATOM 0 HG13 VAL A 86 0.443 -1.349 9.093 1.00 32.11 H new ATOM 0 HG21 VAL A 86 2.170 0.971 8.048 1.00 42.03 H new ATOM 0 HG22 VAL A 86 2.525 0.068 9.540 1.00 42.03 H new ATOM 0 HG23 VAL A 86 3.759 0.198 8.264 1.00 42.03 H new ATOM 1292 N GLU A 87 4.435 -3.378 6.814 1.00 11.14 N ATOM 1293 CA GLU A 87 5.720 -3.570 6.173 1.00 40.31 C ATOM 1294 C GLU A 87 5.651 -3.174 4.709 1.00 35.14 C ATOM 1295 O GLU A 87 4.723 -3.547 3.992 1.00 34.32 O ATOM 1296 CB GLU A 87 6.182 -5.019 6.317 1.00 72.55 C ATOM 1297 CG GLU A 87 6.603 -5.374 7.730 1.00 31.41 C ATOM 1298 CD GLU A 87 7.265 -6.734 7.826 1.00 72.51 C ATOM 1299 OE1 GLU A 87 8.187 -7.005 7.029 1.00 24.44 O ATOM 1300 OE2 GLU A 87 6.876 -7.531 8.703 1.00 20.11 O ATOM 0 H GLU A 87 3.686 -3.962 6.442 1.00 11.14 H new ATOM 0 HA GLU A 87 6.449 -2.928 6.668 1.00 40.31 H new ATOM 0 HB2 GLU A 87 5.375 -5.683 6.007 1.00 72.55 H new ATOM 0 HB3 GLU A 87 7.018 -5.196 5.640 1.00 72.55 H new ATOM 0 HG2 GLU A 87 7.291 -4.614 8.100 1.00 31.41 H new ATOM 0 HG3 GLU A 87 5.728 -5.355 8.380 1.00 31.41 H new ATOM 1307 N PHE A 88 6.626 -2.399 4.281 1.00 0.23 N ATOM 1308 CA PHE A 88 6.677 -1.929 2.912 1.00 12.21 C ATOM 1309 C PHE A 88 7.855 -2.569 2.186 1.00 35.52 C ATOM 1310 O PHE A 88 8.981 -2.557 2.688 1.00 11.43 O ATOM 1311 CB PHE A 88 6.814 -0.405 2.877 1.00 41.32 C ATOM 1312 CG PHE A 88 5.803 0.324 3.713 1.00 31.31 C ATOM 1313 CD1 PHE A 88 4.518 0.539 3.241 1.00 24.33 C ATOM 1314 CD2 PHE A 88 6.141 0.798 4.971 1.00 50.32 C ATOM 1315 CE1 PHE A 88 3.588 1.211 4.011 1.00 4.12 C ATOM 1316 CE2 PHE A 88 5.217 1.472 5.743 1.00 4.31 C ATOM 1317 CZ PHE A 88 3.938 1.679 5.264 1.00 64.44 C ATOM 0 H PHE A 88 7.398 -2.080 4.866 1.00 0.23 H new ATOM 0 HA PHE A 88 5.750 -2.211 2.412 1.00 12.21 H new ATOM 0 HB2 PHE A 88 7.813 -0.134 3.217 1.00 41.32 H new ATOM 0 HB3 PHE A 88 6.726 -0.067 1.844 1.00 41.32 H new ATOM 0 HD1 PHE A 88 4.241 0.178 2.262 1.00 24.33 H new ATOM 0 HD2 PHE A 88 7.139 0.638 5.351 1.00 50.32 H new ATOM 0 HE1 PHE A 88 2.588 1.371 3.634 1.00 4.12 H new ATOM 0 HE2 PHE A 88 5.494 1.837 6.721 1.00 4.31 H new ATOM 0 HZ PHE A 88 3.213 2.205 5.867 1.00 64.44 H new ATOM 1327 N ALA A 89 7.598 -3.132 1.018 1.00 35.11 N ATOM 1328 CA ALA A 89 8.652 -3.732 0.215 1.00 33.44 C ATOM 1329 C ALA A 89 8.660 -3.134 -1.183 1.00 33.34 C ATOM 1330 O ALA A 89 7.633 -2.661 -1.667 1.00 41.22 O ATOM 1331 CB ALA A 89 8.481 -5.241 0.146 1.00 54.20 C ATOM 0 H ALA A 89 6.668 -3.187 0.603 1.00 35.11 H new ATOM 0 HA ALA A 89 9.609 -3.517 0.690 1.00 33.44 H new ATOM 0 HB1 ALA A 89 9.279 -5.670 -0.459 1.00 54.20 H new ATOM 0 HB2 ALA A 89 8.524 -5.658 1.152 1.00 54.20 H new ATOM 0 HB3 ALA A 89 7.517 -5.478 -0.304 1.00 54.20 H new ATOM 1337 N ALA A 90 9.814 -3.153 -1.822 1.00 5.31 N ATOM 1338 CA ALA A 90 9.953 -2.611 -3.164 1.00 4.02 C ATOM 1339 C ALA A 90 10.891 -3.477 -3.990 1.00 53.11 C ATOM 1340 O ALA A 90 11.763 -4.157 -3.441 1.00 71.51 O ATOM 1341 CB ALA A 90 10.457 -1.176 -3.107 1.00 51.21 C ATOM 0 H ALA A 90 10.674 -3.540 -1.433 1.00 5.31 H new ATOM 0 HA ALA A 90 8.974 -2.612 -3.643 1.00 4.02 H new ATOM 0 HB1 ALA A 90 10.556 -0.785 -4.119 1.00 51.21 H new ATOM 0 HB2 ALA A 90 9.749 -0.564 -2.549 1.00 51.21 H new ATOM 0 HB3 ALA A 90 11.428 -1.151 -2.612 1.00 51.21 H new ATOM 1347 N SER A 91 10.701 -3.470 -5.300 1.00 11.30 N ATOM 1348 CA SER A 91 11.529 -4.261 -6.195 1.00 63.43 C ATOM 1349 C SER A 91 11.669 -3.571 -7.546 1.00 71.34 C ATOM 1350 O SER A 91 10.746 -2.898 -8.013 1.00 61.13 O ATOM 1351 CB SER A 91 10.927 -5.655 -6.383 1.00 43.44 C ATOM 1352 OG SER A 91 11.781 -6.483 -7.155 1.00 65.32 O ATOM 0 H SER A 91 9.978 -2.923 -5.768 1.00 11.30 H new ATOM 0 HA SER A 91 12.518 -4.359 -5.748 1.00 63.43 H new ATOM 0 HB2 SER A 91 10.754 -6.114 -5.409 1.00 43.44 H new ATOM 0 HB3 SER A 91 9.957 -5.572 -6.873 1.00 43.44 H new ATOM 0 HG SER A 91 12.511 -6.816 -6.592 1.00 65.32 H new ATOM 1358 N GLU A 92 12.826 -3.734 -8.169 1.00 62.11 N ATOM 1359 CA GLU A 92 13.073 -3.151 -9.479 1.00 12.33 C ATOM 1360 C GLU A 92 12.402 -3.969 -10.572 1.00 74.13 C ATOM 1361 O GLU A 92 11.803 -3.416 -11.494 1.00 20.50 O ATOM 1362 CB GLU A 92 14.571 -3.076 -9.756 1.00 0.42 C ATOM 1363 CG GLU A 92 15.340 -2.244 -8.751 1.00 64.52 C ATOM 1364 CD GLU A 92 16.832 -2.427 -8.899 1.00 61.33 C ATOM 1365 OE1 GLU A 92 17.364 -3.403 -8.329 1.00 74.03 O ATOM 1366 OE2 GLU A 92 17.474 -1.615 -9.597 1.00 60.55 O ATOM 0 H GLU A 92 13.609 -4.265 -7.788 1.00 62.11 H new ATOM 0 HA GLU A 92 12.653 -2.145 -9.479 1.00 12.33 H new ATOM 0 HB2 GLU A 92 14.980 -4.086 -9.765 1.00 0.42 H new ATOM 0 HB3 GLU A 92 14.726 -2.660 -10.752 1.00 0.42 H new ATOM 0 HG2 GLU A 92 15.088 -1.192 -8.881 1.00 64.52 H new ATOM 0 HG3 GLU A 92 15.038 -2.522 -7.741 1.00 64.52 H new ATOM 1373 N ASP A 93 12.494 -5.289 -10.463 1.00 12.42 N ATOM 1374 CA ASP A 93 12.019 -6.161 -11.530 1.00 74.23 C ATOM 1375 C ASP A 93 11.006 -7.189 -11.022 1.00 61.24 C ATOM 1376 O ASP A 93 10.633 -8.107 -11.748 1.00 53.12 O ATOM 1377 CB ASP A 93 13.209 -6.861 -12.190 1.00 41.23 C ATOM 1378 CG ASP A 93 12.852 -7.472 -13.529 1.00 15.15 C ATOM 1379 OD1 ASP A 93 12.359 -6.731 -14.408 1.00 31.00 O ATOM 1380 OD2 ASP A 93 13.068 -8.690 -13.711 1.00 44.34 O ATOM 0 H ASP A 93 12.888 -5.774 -9.657 1.00 12.42 H new ATOM 0 HA ASP A 93 11.505 -5.543 -12.266 1.00 74.23 H new ATOM 0 HB2 ASP A 93 14.019 -6.144 -12.326 1.00 41.23 H new ATOM 0 HB3 ASP A 93 13.582 -7.641 -11.526 1.00 41.23 H new ATOM 1385 N ASN A 94 10.560 -7.029 -9.777 1.00 61.13 N ATOM 1386 CA ASN A 94 9.548 -7.921 -9.193 1.00 74.42 C ATOM 1387 C ASN A 94 10.105 -9.342 -9.063 1.00 55.35 C ATOM 1388 O ASN A 94 9.377 -10.332 -9.128 1.00 33.22 O ATOM 1389 CB ASN A 94 8.260 -7.899 -10.040 1.00 63.30 C ATOM 1390 CG ASN A 94 7.098 -8.652 -9.407 1.00 51.34 C ATOM 1391 OD1 ASN A 94 7.024 -8.802 -8.189 1.00 2.14 O ATOM 1392 ND2 ASN A 94 6.170 -9.110 -10.232 1.00 3.34 N ATOM 0 H ASN A 94 10.881 -6.291 -9.150 1.00 61.13 H new ATOM 0 HA ASN A 94 9.297 -7.565 -8.194 1.00 74.42 H new ATOM 0 HB2 ASN A 94 7.963 -6.864 -10.206 1.00 63.30 H new ATOM 0 HB3 ASN A 94 8.472 -8.331 -11.018 1.00 63.30 H new ATOM 0 HD21 ASN A 94 5.359 -9.606 -9.862 1.00 3.34 H new ATOM 0 HD22 ASN A 94 6.266 -8.966 -11.237 1.00 3.34 H new ATOM 1399 N VAL A 95 11.413 -9.425 -8.872 1.00 34.01 N ATOM 1400 CA VAL A 95 12.076 -10.701 -8.650 1.00 43.02 C ATOM 1401 C VAL A 95 12.763 -10.686 -7.291 1.00 64.21 C ATOM 1402 O VAL A 95 12.549 -11.568 -6.460 1.00 11.12 O ATOM 1403 CB VAL A 95 13.120 -11.008 -9.748 1.00 35.23 C ATOM 1404 CG1 VAL A 95 13.794 -12.353 -9.498 1.00 73.34 C ATOM 1405 CG2 VAL A 95 12.475 -10.984 -11.126 1.00 1.12 C ATOM 0 H VAL A 95 12.039 -8.620 -8.866 1.00 34.01 H new ATOM 0 HA VAL A 95 11.316 -11.481 -8.684 1.00 43.02 H new ATOM 0 HB VAL A 95 13.884 -10.232 -9.712 1.00 35.23 H new ATOM 0 HG11 VAL A 95 14.524 -12.546 -10.284 1.00 73.34 H new ATOM 0 HG12 VAL A 95 14.298 -12.333 -8.532 1.00 73.34 H new ATOM 0 HG13 VAL A 95 13.042 -13.142 -9.499 1.00 73.34 H new ATOM 0 HG21 VAL A 95 13.227 -11.203 -11.884 1.00 1.12 H new ATOM 0 HG22 VAL A 95 11.686 -11.734 -11.171 1.00 1.12 H new ATOM 0 HG23 VAL A 95 12.049 -9.998 -11.311 1.00 1.12 H new ATOM 1415 N ASN A 96 13.581 -9.667 -7.070 1.00 34.14 N ATOM 1416 CA ASN A 96 14.265 -9.496 -5.797 1.00 54.30 C ATOM 1417 C ASN A 96 13.569 -8.411 -4.997 1.00 11.03 C ATOM 1418 O ASN A 96 13.656 -7.231 -5.337 1.00 10.43 O ATOM 1419 CB ASN A 96 15.735 -9.119 -6.014 1.00 41.24 C ATOM 1420 CG ASN A 96 16.449 -10.069 -6.954 1.00 31.41 C ATOM 1421 OD1 ASN A 96 17.016 -11.077 -6.532 1.00 53.30 O ATOM 1422 ND2 ASN A 96 16.434 -9.747 -8.239 1.00 44.21 N ATOM 0 H ASN A 96 13.787 -8.944 -7.759 1.00 34.14 H new ATOM 0 HA ASN A 96 14.231 -10.439 -5.251 1.00 54.30 H new ATOM 0 HB2 ASN A 96 15.791 -8.107 -6.415 1.00 41.24 H new ATOM 0 HB3 ASN A 96 16.249 -9.110 -5.053 1.00 41.24 H new ATOM 0 HD21 ASN A 96 16.904 -10.344 -8.920 1.00 44.21 H new ATOM 0 HD22 ASN A 96 15.952 -8.902 -8.548 1.00 44.21 H new ATOM 1429 N TRP A 97 12.853 -8.807 -3.961 1.00 54.41 N ATOM 1430 CA TRP A 97 12.109 -7.856 -3.151 1.00 30.12 C ATOM 1431 C TRP A 97 12.917 -7.415 -1.946 1.00 44.30 C ATOM 1432 O TRP A 97 13.478 -8.237 -1.219 1.00 15.35 O ATOM 1433 CB TRP A 97 10.774 -8.452 -2.704 1.00 33.22 C ATOM 1434 CG TRP A 97 9.746 -8.459 -3.793 1.00 32.11 C ATOM 1435 CD1 TRP A 97 9.476 -9.470 -4.668 1.00 44.44 C ATOM 1436 CD2 TRP A 97 8.858 -7.387 -4.128 1.00 11.20 C ATOM 1437 NE1 TRP A 97 8.472 -9.091 -5.528 1.00 62.33 N ATOM 1438 CE2 TRP A 97 8.075 -7.818 -5.214 1.00 31.11 C ATOM 1439 CE3 TRP A 97 8.648 -6.107 -3.613 1.00 60.45 C ATOM 1440 CZ2 TRP A 97 7.101 -7.010 -5.794 1.00 72.11 C ATOM 1441 CZ3 TRP A 97 7.681 -5.307 -4.191 1.00 53.23 C ATOM 1442 CH2 TRP A 97 6.917 -5.762 -5.270 1.00 5.15 C ATOM 0 H TRP A 97 12.770 -9.778 -3.660 1.00 54.41 H new ATOM 0 HA TRP A 97 11.910 -6.980 -3.768 1.00 30.12 H new ATOM 0 HB2 TRP A 97 10.935 -9.473 -2.357 1.00 33.22 H new ATOM 0 HB3 TRP A 97 10.394 -7.883 -1.856 1.00 33.22 H new ATOM 0 HD1 TRP A 97 9.977 -10.427 -4.683 1.00 44.44 H new ATOM 0 HE1 TRP A 97 8.086 -9.665 -6.278 1.00 62.33 H new ATOM 0 HE3 TRP A 97 9.231 -5.748 -2.778 1.00 60.45 H new ATOM 0 HZ2 TRP A 97 6.511 -7.358 -6.629 1.00 72.11 H new ATOM 0 HZ3 TRP A 97 7.512 -4.313 -3.803 1.00 53.23 H new ATOM 0 HH2 TRP A 97 6.166 -5.114 -5.698 1.00 5.15 H new ATOM 1453 N THR A 98 12.985 -6.110 -1.745 1.00 53.11 N ATOM 1454 CA THR A 98 13.708 -5.553 -0.625 1.00 61.01 C ATOM 1455 C THR A 98 12.784 -4.698 0.229 1.00 64.44 C ATOM 1456 O THR A 98 12.158 -3.757 -0.267 1.00 51.45 O ATOM 1457 CB THR A 98 14.903 -4.701 -1.094 1.00 55.42 C ATOM 1458 OG1 THR A 98 15.751 -5.480 -1.950 1.00 74.42 O ATOM 1459 CG2 THR A 98 15.704 -4.191 0.100 1.00 70.22 C ATOM 0 H THR A 98 12.544 -5.417 -2.349 1.00 53.11 H new ATOM 0 HA THR A 98 14.087 -6.386 -0.033 1.00 61.01 H new ATOM 0 HB THR A 98 14.520 -3.843 -1.646 1.00 55.42 H new ATOM 0 HG1 THR A 98 16.508 -4.933 -2.246 1.00 74.42 H new ATOM 0 HG21 THR A 98 16.543 -3.592 -0.254 1.00 70.22 H new ATOM 0 HG22 THR A 98 15.062 -3.579 0.734 1.00 70.22 H new ATOM 0 HG23 THR A 98 16.080 -5.038 0.675 1.00 70.22 H new ATOM 1467 N PRO A 99 12.668 -5.031 1.519 1.00 70.20 N ATOM 1468 CA PRO A 99 11.890 -4.239 2.467 1.00 41.24 C ATOM 1469 C PRO A 99 12.440 -2.826 2.582 1.00 5.45 C ATOM 1470 O PRO A 99 13.641 -2.635 2.762 1.00 11.22 O ATOM 1471 CB PRO A 99 12.057 -4.990 3.795 1.00 54.41 C ATOM 1472 CG PRO A 99 13.266 -5.842 3.613 1.00 5.44 C ATOM 1473 CD PRO A 99 13.287 -6.205 2.159 1.00 52.02 C ATOM 0 HA PRO A 99 10.848 -4.132 2.164 1.00 41.24 H new ATOM 0 HB2 PRO A 99 12.186 -4.296 4.626 1.00 54.41 H new ATOM 0 HB3 PRO A 99 11.179 -5.596 4.018 1.00 54.41 H new ATOM 0 HG2 PRO A 99 14.171 -5.304 3.896 1.00 5.44 H new ATOM 0 HG3 PRO A 99 13.216 -6.733 4.239 1.00 5.44 H new ATOM 0 HD2 PRO A 99 14.302 -6.373 1.799 1.00 52.02 H new ATOM 0 HD3 PRO A 99 12.723 -7.117 1.962 1.00 52.02 H new ATOM 1481 N ILE A 100 11.577 -1.838 2.441 1.00 21.33 N ATOM 1482 CA ILE A 100 11.992 -0.455 2.596 1.00 3.53 C ATOM 1483 C ILE A 100 11.695 0.044 4.003 1.00 43.21 C ATOM 1484 O ILE A 100 12.153 1.115 4.393 1.00 51.12 O ATOM 1485 CB ILE A 100 11.335 0.484 1.557 1.00 14.10 C ATOM 1486 CG1 ILE A 100 9.812 0.375 1.604 1.00 10.54 C ATOM 1487 CG2 ILE A 100 11.847 0.170 0.161 1.00 75.34 C ATOM 1488 CD1 ILE A 100 9.106 1.266 0.605 1.00 51.32 C ATOM 0 H ILE A 100 10.589 -1.965 2.221 1.00 21.33 H new ATOM 0 HA ILE A 100 13.068 -0.434 2.423 1.00 3.53 H new ATOM 0 HB ILE A 100 11.608 1.509 1.807 1.00 14.10 H new ATOM 0 HG12 ILE A 100 9.525 -0.660 1.420 1.00 10.54 H new ATOM 0 HG13 ILE A 100 9.470 0.627 2.608 1.00 10.54 H new ATOM 0 HG21 ILE A 100 11.375 0.839 -0.559 1.00 75.34 H new ATOM 0 HG22 ILE A 100 12.928 0.308 0.130 1.00 75.34 H new ATOM 0 HG23 ILE A 100 11.606 -0.863 -0.091 1.00 75.34 H new ATOM 0 HD11 ILE A 100 8.028 1.134 0.698 1.00 51.32 H new ATOM 0 HD12 ILE A 100 9.362 2.307 0.801 1.00 51.32 H new ATOM 0 HD13 ILE A 100 9.419 1.000 -0.405 1.00 51.32 H new ATOM 1500 N GLY A 101 10.933 -0.732 4.764 1.00 2.12 N ATOM 1501 CA GLY A 101 10.677 -0.371 6.140 1.00 51.41 C ATOM 1502 C GLY A 101 9.539 -1.146 6.768 1.00 11.35 C ATOM 1503 O GLY A 101 8.633 -1.618 6.078 1.00 51.44 O ATOM 0 H GLY A 101 10.492 -1.598 4.454 1.00 2.12 H new ATOM 0 HA2 GLY A 101 11.583 -0.534 6.724 1.00 51.41 H new ATOM 0 HA3 GLY A 101 10.452 0.694 6.192 1.00 51.41 H new ATOM 1507 N ARG A 102 9.607 -1.283 8.082 1.00 24.12 N ATOM 1508 CA ARG A 102 8.542 -1.875 8.870 1.00 3.53 C ATOM 1509 C ARG A 102 8.233 -0.959 10.045 1.00 52.30 C ATOM 1510 O ARG A 102 9.079 -0.750 10.914 1.00 60.31 O ATOM 1511 CB ARG A 102 8.946 -3.266 9.371 1.00 63.51 C ATOM 1512 CG ARG A 102 8.049 -3.798 10.479 1.00 22.51 C ATOM 1513 CD ARG A 102 8.447 -5.200 10.910 1.00 2.43 C ATOM 1514 NE ARG A 102 7.835 -5.569 12.187 1.00 44.43 N ATOM 1515 CZ ARG A 102 7.214 -6.725 12.431 1.00 74.35 C ATOM 1516 NH1 ARG A 102 7.027 -7.613 11.463 1.00 24.54 N ATOM 1517 NH2 ARG A 102 6.746 -6.971 13.647 1.00 1.21 N ATOM 0 H ARG A 102 10.410 -0.984 8.635 1.00 24.12 H new ATOM 0 HA ARG A 102 7.654 -1.989 8.248 1.00 3.53 H new ATOM 0 HB2 ARG A 102 8.928 -3.964 8.534 1.00 63.51 H new ATOM 0 HB3 ARG A 102 9.973 -3.228 9.733 1.00 63.51 H new ATOM 0 HG2 ARG A 102 8.097 -3.128 11.337 1.00 22.51 H new ATOM 0 HG3 ARG A 102 7.014 -3.804 10.136 1.00 22.51 H new ATOM 0 HD2 ARG A 102 8.148 -5.915 10.143 1.00 2.43 H new ATOM 0 HD3 ARG A 102 9.532 -5.260 10.996 1.00 2.43 H new ATOM 0 HE ARG A 102 7.887 -4.892 12.948 1.00 44.43 H new ATOM 0 HH11 ARG A 102 7.359 -7.416 10.519 1.00 24.54 H new ATOM 0 HH12 ARG A 102 6.551 -8.493 11.663 1.00 24.54 H new ATOM 0 HH21 ARG A 102 6.862 -6.279 14.388 1.00 1.21 H new ATOM 0 HH22 ARG A 102 6.270 -7.852 13.842 1.00 1.21 H new ATOM 1531 N PHE A 103 7.032 -0.402 10.067 1.00 1.02 N ATOM 1532 CA PHE A 103 6.676 0.581 11.079 1.00 23.44 C ATOM 1533 C PHE A 103 5.290 0.299 11.644 1.00 41.15 C ATOM 1534 O PHE A 103 4.640 -0.677 11.260 1.00 35.14 O ATOM 1535 CB PHE A 103 6.719 1.993 10.488 1.00 3.20 C ATOM 1536 CG PHE A 103 8.034 2.357 9.855 1.00 14.14 C ATOM 1537 CD1 PHE A 103 9.127 2.694 10.639 1.00 33.22 C ATOM 1538 CD2 PHE A 103 8.177 2.358 8.477 1.00 11.10 C ATOM 1539 CE1 PHE A 103 10.337 3.027 10.058 1.00 32.35 C ATOM 1540 CE2 PHE A 103 9.383 2.689 7.892 1.00 4.01 C ATOM 1541 CZ PHE A 103 10.465 3.024 8.683 1.00 22.43 C ATOM 0 H PHE A 103 6.290 -0.612 9.399 1.00 1.02 H new ATOM 0 HA PHE A 103 7.402 0.511 11.889 1.00 23.44 H new ATOM 0 HB2 PHE A 103 5.931 2.086 9.741 1.00 3.20 H new ATOM 0 HB3 PHE A 103 6.497 2.712 11.277 1.00 3.20 H new ATOM 0 HD1 PHE A 103 9.032 2.696 11.715 1.00 33.22 H new ATOM 0 HD2 PHE A 103 7.335 2.097 7.853 1.00 11.10 H new ATOM 0 HE1 PHE A 103 11.181 3.289 10.679 1.00 32.35 H new ATOM 0 HE2 PHE A 103 9.480 2.686 6.816 1.00 4.01 H new ATOM 0 HZ PHE A 103 11.409 3.283 8.227 1.00 22.43 H new ATOM 1551 N GLY A 104 4.840 1.159 12.545 1.00 11.53 N ATOM 1552 CA GLY A 104 3.541 0.984 13.157 1.00 5.05 C ATOM 1553 C GLY A 104 2.485 1.847 12.503 1.00 64.24 C ATOM 1554 O GLY A 104 2.744 3.004 12.156 1.00 24.53 O ATOM 0 H GLY A 104 5.355 1.979 12.864 1.00 11.53 H new ATOM 0 HA2 GLY A 104 3.246 -0.063 13.089 1.00 5.05 H new ATOM 0 HA3 GLY A 104 3.604 1.229 14.217 1.00 5.05 H new ATOM 1558 N PHE A 105 1.296 1.294 12.330 1.00 2.41 N ATOM 1559 CA PHE A 105 0.213 2.013 11.684 1.00 40.34 C ATOM 1560 C PHE A 105 -0.645 2.713 12.728 1.00 73.12 C ATOM 1561 O PHE A 105 -1.287 2.070 13.556 1.00 43.05 O ATOM 1562 CB PHE A 105 -0.640 1.052 10.853 1.00 51.31 C ATOM 1563 CG PHE A 105 -1.633 1.740 9.956 1.00 55.20 C ATOM 1564 CD1 PHE A 105 -1.261 2.156 8.690 1.00 64.11 C ATOM 1565 CD2 PHE A 105 -2.935 1.964 10.376 1.00 2.53 C ATOM 1566 CE1 PHE A 105 -2.167 2.783 7.857 1.00 45.14 C ATOM 1567 CE2 PHE A 105 -3.845 2.592 9.547 1.00 21.25 C ATOM 1568 CZ PHE A 105 -3.459 3.002 8.287 1.00 4.34 C ATOM 0 H PHE A 105 1.057 0.348 12.629 1.00 2.41 H new ATOM 0 HA PHE A 105 0.638 2.764 11.018 1.00 40.34 H new ATOM 0 HB2 PHE A 105 0.018 0.432 10.243 1.00 51.31 H new ATOM 0 HB3 PHE A 105 -1.176 0.382 11.526 1.00 51.31 H new ATOM 0 HD1 PHE A 105 -0.250 1.988 8.349 1.00 64.11 H new ATOM 0 HD2 PHE A 105 -3.241 1.644 11.361 1.00 2.53 H new ATOM 0 HE1 PHE A 105 -1.864 3.101 6.870 1.00 45.14 H new ATOM 0 HE2 PHE A 105 -4.857 2.762 9.885 1.00 21.25 H new ATOM 0 HZ PHE A 105 -4.168 3.494 7.638 1.00 4.34 H new ATOM 1578 N THR A 106 -0.640 4.031 12.698 1.00 31.41 N ATOM 1579 CA THR A 106 -1.448 4.809 13.619 1.00 51.43 C ATOM 1580 C THR A 106 -2.732 5.265 12.931 1.00 62.12 C ATOM 1581 O THR A 106 -2.702 6.138 12.066 1.00 12.10 O ATOM 1582 CB THR A 106 -0.670 6.035 14.134 1.00 34.31 C ATOM 1583 OG1 THR A 106 0.613 5.622 14.625 1.00 13.45 O ATOM 1584 CG2 THR A 106 -1.436 6.739 15.244 1.00 61.03 C ATOM 0 H THR A 106 -0.086 4.587 12.046 1.00 31.41 H new ATOM 0 HA THR A 106 -1.698 4.176 14.470 1.00 51.43 H new ATOM 0 HB THR A 106 -0.542 6.732 13.306 1.00 34.31 H new ATOM 0 HG1 THR A 106 1.106 6.404 14.950 1.00 13.45 H new ATOM 0 HG21 THR A 106 -0.865 7.601 15.590 1.00 61.03 H new ATOM 0 HG22 THR A 106 -2.402 7.072 14.865 1.00 61.03 H new ATOM 0 HG23 THR A 106 -1.590 6.049 16.074 1.00 61.03 H new ATOM 1592 N ASN A 107 -3.854 4.653 13.299 1.00 24.12 N ATOM 1593 CA ASN A 107 -5.132 4.987 12.685 1.00 42.14 C ATOM 1594 C ASN A 107 -5.563 6.392 13.075 1.00 3.42 C ATOM 1595 O ASN A 107 -5.871 6.665 14.237 1.00 74.23 O ATOM 1596 CB ASN A 107 -6.218 3.982 13.075 1.00 40.42 C ATOM 1597 CG ASN A 107 -7.534 4.262 12.367 1.00 62.10 C ATOM 1598 OD1 ASN A 107 -7.553 4.780 11.249 1.00 21.10 O ATOM 1599 ND2 ASN A 107 -8.637 3.906 13.003 1.00 41.43 N ATOM 0 H ASN A 107 -3.903 3.928 14.015 1.00 24.12 H new ATOM 0 HA ASN A 107 -4.998 4.943 11.604 1.00 42.14 H new ATOM 0 HB2 ASN A 107 -5.883 2.974 12.832 1.00 40.42 H new ATOM 0 HB3 ASN A 107 -6.372 4.015 14.154 1.00 40.42 H new ATOM 0 HD21 ASN A 107 -9.547 4.057 12.569 1.00 41.43 H new ATOM 0 HD22 ASN A 107 -8.577 3.480 13.928 1.00 41.43 H new ATOM 1606 N GLN A 108 -5.559 7.276 12.098 1.00 42.11 N ATOM 1607 CA GLN A 108 -5.932 8.661 12.298 1.00 22.23 C ATOM 1608 C GLN A 108 -6.505 9.210 11.000 1.00 71.41 C ATOM 1609 O GLN A 108 -6.653 8.468 10.029 1.00 61.14 O ATOM 1610 CB GLN A 108 -4.713 9.473 12.744 1.00 14.41 C ATOM 1611 CG GLN A 108 -3.549 9.410 11.769 1.00 60.32 C ATOM 1612 CD GLN A 108 -2.329 10.159 12.261 1.00 24.23 C ATOM 1613 OE1 GLN A 108 -2.079 10.255 13.464 1.00 3.23 O ATOM 1614 NE2 GLN A 108 -1.562 10.700 11.333 1.00 34.13 N ATOM 0 H GLN A 108 -5.296 7.052 11.138 1.00 42.11 H new ATOM 0 HA GLN A 108 -6.688 8.734 13.080 1.00 22.23 H new ATOM 0 HB2 GLN A 108 -5.009 10.514 12.876 1.00 14.41 H new ATOM 0 HB3 GLN A 108 -4.381 9.110 13.717 1.00 14.41 H new ATOM 0 HG2 GLN A 108 -3.283 8.367 11.595 1.00 60.32 H new ATOM 0 HG3 GLN A 108 -3.861 9.824 10.810 1.00 60.32 H new ATOM 0 HE21 GLN A 108 -1.804 10.597 10.348 1.00 34.13 H new ATOM 0 HE22 GLN A 108 -0.727 11.221 11.601 1.00 34.13 H new ATOM 1623 N ASP A 109 -6.832 10.487 10.969 1.00 24.40 N ATOM 1624 CA ASP A 109 -7.385 11.082 9.760 1.00 13.31 C ATOM 1625 C ASP A 109 -6.318 11.876 9.019 1.00 32.51 C ATOM 1626 O ASP A 109 -6.519 12.289 7.876 1.00 23.43 O ATOM 1627 CB ASP A 109 -8.590 11.969 10.084 1.00 24.22 C ATOM 1628 CG ASP A 109 -8.227 13.227 10.846 1.00 23.34 C ATOM 1629 OD1 ASP A 109 -8.017 13.140 12.075 1.00 44.14 O ATOM 1630 OD2 ASP A 109 -8.193 14.310 10.232 1.00 75.54 O ATOM 0 H ASP A 109 -6.728 11.129 11.755 1.00 24.40 H new ATOM 0 HA ASP A 109 -7.727 10.274 9.113 1.00 13.31 H new ATOM 0 HB2 ASP A 109 -9.087 12.247 9.154 1.00 24.22 H new ATOM 0 HB3 ASP A 109 -9.308 11.394 10.669 1.00 24.22 H new ATOM 1635 N ALA A 110 -5.181 12.075 9.673 1.00 14.32 N ATOM 1636 CA ALA A 110 -4.061 12.774 9.067 1.00 22.02 C ATOM 1637 C ALA A 110 -3.129 11.786 8.378 1.00 41.23 C ATOM 1638 O ALA A 110 -3.029 10.627 8.786 1.00 25.21 O ATOM 1639 CB ALA A 110 -3.309 13.574 10.119 1.00 61.10 C ATOM 0 H ALA A 110 -5.012 11.759 10.628 1.00 14.32 H new ATOM 0 HA ALA A 110 -4.445 13.465 8.316 1.00 22.02 H new ATOM 0 HB1 ALA A 110 -2.472 14.093 9.652 1.00 61.10 H new ATOM 0 HB2 ALA A 110 -3.981 14.303 10.571 1.00 61.10 H new ATOM 0 HB3 ALA A 110 -2.934 12.900 10.889 1.00 61.10 H new ATOM 1645 N ALA A 111 -2.443 12.245 7.343 1.00 12.20 N ATOM 1646 CA ALA A 111 -1.578 11.379 6.559 1.00 43.41 C ATOM 1647 C ALA A 111 -0.327 10.982 7.337 1.00 55.22 C ATOM 1648 O ALA A 111 0.344 11.823 7.943 1.00 44.13 O ATOM 1649 CB ALA A 111 -1.200 12.054 5.251 1.00 12.34 C ATOM 0 H ALA A 111 -2.469 13.214 7.026 1.00 12.20 H new ATOM 0 HA ALA A 111 -2.132 10.467 6.338 1.00 43.41 H new ATOM 0 HB1 ALA A 111 -0.552 11.394 4.675 1.00 12.34 H new ATOM 0 HB2 ALA A 111 -2.102 12.268 4.678 1.00 12.34 H new ATOM 0 HB3 ALA A 111 -0.674 12.985 5.461 1.00 12.34 H new ATOM 1655 N LEU A 112 -0.025 9.697 7.301 1.00 51.01 N ATOM 1656 CA LEU A 112 1.118 9.140 7.998 1.00 34.15 C ATOM 1657 C LEU A 112 2.343 9.169 7.103 1.00 13.34 C ATOM 1658 O LEU A 112 2.324 8.617 6.004 1.00 21.22 O ATOM 1659 CB LEU A 112 0.821 7.698 8.412 1.00 43.10 C ATOM 1660 CG LEU A 112 -0.271 7.529 9.466 1.00 73.53 C ATOM 1661 CD1 LEU A 112 -0.795 6.105 9.461 1.00 73.22 C ATOM 1662 CD2 LEU A 112 0.266 7.881 10.844 1.00 63.43 C ATOM 0 H LEU A 112 -0.570 9.007 6.784 1.00 51.01 H new ATOM 0 HA LEU A 112 1.313 9.740 8.887 1.00 34.15 H new ATOM 0 HB2 LEU A 112 0.535 7.135 7.524 1.00 43.10 H new ATOM 0 HB3 LEU A 112 1.740 7.250 8.791 1.00 43.10 H new ATOM 0 HG LEU A 112 -1.091 8.205 9.225 1.00 73.53 H new ATOM 0 HD11 LEU A 112 -1.573 6.001 10.218 1.00 73.22 H new ATOM 0 HD12 LEU A 112 -1.210 5.873 8.480 1.00 73.22 H new ATOM 0 HD13 LEU A 112 0.021 5.416 9.682 1.00 73.22 H new ATOM 0 HD21 LEU A 112 -0.524 7.756 11.585 1.00 63.43 H new ATOM 0 HD22 LEU A 112 1.100 7.224 11.088 1.00 63.43 H new ATOM 0 HD23 LEU A 112 0.607 8.916 10.848 1.00 63.43 H new ATOM 1674 N GLU A 113 3.395 9.818 7.572 1.00 45.25 N ATOM 1675 CA GLU A 113 4.628 9.927 6.812 1.00 33.32 C ATOM 1676 C GLU A 113 5.634 8.883 7.272 1.00 62.42 C ATOM 1677 O GLU A 113 6.183 8.976 8.370 1.00 3.43 O ATOM 1678 CB GLU A 113 5.205 11.331 6.970 1.00 12.54 C ATOM 1679 CG GLU A 113 4.354 12.399 6.313 1.00 75.34 C ATOM 1680 CD GLU A 113 4.717 13.796 6.760 1.00 53.23 C ATOM 1681 OE1 GLU A 113 4.221 14.223 7.826 1.00 1.33 O ATOM 1682 OE2 GLU A 113 5.488 14.475 6.053 1.00 11.03 O ATOM 0 H GLU A 113 3.419 10.280 8.481 1.00 45.25 H new ATOM 0 HA GLU A 113 4.412 9.747 5.759 1.00 33.32 H new ATOM 0 HB2 GLU A 113 5.308 11.558 8.031 1.00 12.54 H new ATOM 0 HB3 GLU A 113 6.206 11.357 6.540 1.00 12.54 H new ATOM 0 HG2 GLU A 113 4.463 12.329 5.231 1.00 75.34 H new ATOM 0 HG3 GLU A 113 3.305 12.211 6.540 1.00 75.34 H new ATOM 1689 N TYR A 114 5.860 7.885 6.436 1.00 33.15 N ATOM 1690 CA TYR A 114 6.791 6.817 6.758 1.00 52.21 C ATOM 1691 C TYR A 114 8.113 7.013 6.039 1.00 12.34 C ATOM 1692 O TYR A 114 8.220 6.779 4.833 1.00 63.44 O ATOM 1693 CB TYR A 114 6.197 5.456 6.397 1.00 33.13 C ATOM 1694 CG TYR A 114 5.038 5.054 7.273 1.00 3.15 C ATOM 1695 CD1 TYR A 114 5.255 4.402 8.475 1.00 2.24 C ATOM 1696 CD2 TYR A 114 3.729 5.327 6.903 1.00 20.10 C ATOM 1697 CE1 TYR A 114 4.204 4.030 9.287 1.00 54.41 C ATOM 1698 CE2 TYR A 114 2.669 4.959 7.710 1.00 15.32 C ATOM 1699 CZ TYR A 114 2.913 4.308 8.900 1.00 11.45 C ATOM 1700 OH TYR A 114 1.865 3.940 9.712 1.00 22.43 O ATOM 0 H TYR A 114 5.410 7.792 5.526 1.00 33.15 H new ATOM 0 HA TYR A 114 6.974 6.847 7.832 1.00 52.21 H new ATOM 0 HB2 TYR A 114 5.867 5.476 5.358 1.00 33.13 H new ATOM 0 HB3 TYR A 114 6.977 4.698 6.469 1.00 33.13 H new ATOM 0 HD1 TYR A 114 6.266 4.181 8.783 1.00 2.24 H new ATOM 0 HD2 TYR A 114 3.535 5.835 5.970 1.00 20.10 H new ATOM 0 HE1 TYR A 114 4.393 3.523 10.222 1.00 54.41 H new ATOM 0 HE2 TYR A 114 1.655 5.180 7.410 1.00 15.32 H new ATOM 0 HH TYR A 114 2.202 3.735 10.609 1.00 22.43 H new ATOM 1710 N TYR A 115 9.113 7.450 6.787 1.00 2.50 N ATOM 1711 CA TYR A 115 10.448 7.659 6.248 1.00 24.45 C ATOM 1712 C TYR A 115 11.130 6.318 6.007 1.00 65.52 C ATOM 1713 O TYR A 115 11.746 5.747 6.908 1.00 4.21 O ATOM 1714 CB TYR A 115 11.286 8.516 7.198 1.00 64.12 C ATOM 1715 CG TYR A 115 10.752 9.919 7.384 1.00 72.13 C ATOM 1716 CD1 TYR A 115 9.799 10.202 8.357 1.00 13.03 C ATOM 1717 CD2 TYR A 115 11.206 10.962 6.589 1.00 51.30 C ATOM 1718 CE1 TYR A 115 9.316 11.484 8.529 1.00 75.25 C ATOM 1719 CE2 TYR A 115 10.732 12.246 6.759 1.00 12.10 C ATOM 1720 CZ TYR A 115 9.786 12.502 7.730 1.00 11.33 C ATOM 1721 OH TYR A 115 9.318 13.783 7.913 1.00 50.23 O ATOM 0 H TYR A 115 9.024 7.669 7.779 1.00 2.50 H new ATOM 0 HA TYR A 115 10.359 8.187 5.299 1.00 24.45 H new ATOM 0 HB2 TYR A 115 11.335 8.024 8.169 1.00 64.12 H new ATOM 0 HB3 TYR A 115 12.306 8.573 6.818 1.00 64.12 H new ATOM 0 HD1 TYR A 115 9.431 9.406 8.988 1.00 13.03 H new ATOM 0 HD2 TYR A 115 11.943 10.765 5.824 1.00 51.30 H new ATOM 0 HE1 TYR A 115 8.573 11.687 9.286 1.00 75.25 H new ATOM 0 HE2 TYR A 115 11.100 13.047 6.135 1.00 12.10 H new ATOM 0 HH TYR A 115 9.750 14.384 7.270 1.00 50.23 H new ATOM 1731 N VAL A 116 11.003 5.817 4.790 1.00 3.15 N ATOM 1732 CA VAL A 116 11.496 4.493 4.454 1.00 54.43 C ATOM 1733 C VAL A 116 12.928 4.534 3.937 1.00 53.42 C ATOM 1734 O VAL A 116 13.543 5.600 3.832 1.00 3.04 O ATOM 1735 CB VAL A 116 10.593 3.807 3.407 1.00 12.11 C ATOM 1736 CG1 VAL A 116 9.206 3.551 3.977 1.00 33.05 C ATOM 1737 CG2 VAL A 116 10.504 4.643 2.139 1.00 31.11 C ATOM 0 H VAL A 116 10.560 6.310 4.015 1.00 3.15 H new ATOM 0 HA VAL A 116 11.478 3.913 5.377 1.00 54.43 H new ATOM 0 HB VAL A 116 11.041 2.847 3.152 1.00 12.11 H new ATOM 0 HG11 VAL A 116 8.586 3.067 3.222 1.00 33.05 H new ATOM 0 HG12 VAL A 116 9.285 2.904 4.851 1.00 33.05 H new ATOM 0 HG13 VAL A 116 8.751 4.498 4.267 1.00 33.05 H new ATOM 0 HG21 VAL A 116 9.862 4.140 1.416 1.00 31.11 H new ATOM 0 HG22 VAL A 116 10.085 5.621 2.377 1.00 31.11 H new ATOM 0 HG23 VAL A 116 11.500 4.768 1.715 1.00 31.11 H new ATOM 1747 N LYS A 117 13.451 3.356 3.630 1.00 53.11 N ATOM 1748 CA LYS A 117 14.796 3.213 3.110 1.00 72.21 C ATOM 1749 C LYS A 117 14.840 3.639 1.649 1.00 2.50 C ATOM 1750 O LYS A 117 14.246 2.985 0.788 1.00 51.12 O ATOM 1751 CB LYS A 117 15.254 1.759 3.248 1.00 21.21 C ATOM 1752 CG LYS A 117 16.725 1.540 2.934 1.00 25.11 C ATOM 1753 CD LYS A 117 17.088 0.060 2.939 1.00 14.42 C ATOM 1754 CE LYS A 117 16.694 -0.632 1.640 1.00 33.22 C ATOM 1755 NZ LYS A 117 15.224 -0.804 1.513 1.00 4.54 N ATOM 0 H LYS A 117 12.951 2.473 3.736 1.00 53.11 H new ATOM 0 HA LYS A 117 15.468 3.853 3.682 1.00 72.21 H new ATOM 0 HB2 LYS A 117 15.057 1.422 4.266 1.00 21.21 H new ATOM 0 HB3 LYS A 117 14.655 1.136 2.584 1.00 21.21 H new ATOM 0 HG2 LYS A 117 16.957 1.968 1.959 1.00 25.11 H new ATOM 0 HG3 LYS A 117 17.336 2.067 3.667 1.00 25.11 H new ATOM 0 HD2 LYS A 117 18.161 -0.049 3.096 1.00 14.42 H new ATOM 0 HD3 LYS A 117 16.592 -0.432 3.776 1.00 14.42 H new ATOM 0 HE2 LYS A 117 17.063 -0.050 0.795 1.00 33.22 H new ATOM 0 HE3 LYS A 117 17.177 -1.608 1.591 1.00 33.22 H new ATOM 0 HZ1 LYS A 117 15.018 -1.477 0.747 1.00 4.54 H new ATOM 0 HZ2 LYS A 117 14.839 -1.169 2.407 1.00 4.54 H new ATOM 0 HZ3 LYS A 117 14.785 0.113 1.295 1.00 4.54 H new ATOM 1769 N SER A 118 15.538 4.737 1.387 1.00 44.32 N ATOM 1770 CA SER A 118 15.648 5.295 0.046 1.00 51.33 C ATOM 1771 C SER A 118 16.209 4.268 -0.936 1.00 44.41 C ATOM 1772 O SER A 118 17.323 3.767 -0.755 1.00 5.44 O ATOM 1773 CB SER A 118 16.544 6.531 0.087 1.00 33.43 C ATOM 1774 OG SER A 118 17.761 6.247 0.762 1.00 23.01 O ATOM 0 H SER A 118 16.043 5.265 2.098 1.00 44.32 H new ATOM 0 HA SER A 118 14.652 5.574 -0.299 1.00 51.33 H new ATOM 0 HB2 SER A 118 16.755 6.867 -0.928 1.00 33.43 H new ATOM 0 HB3 SER A 118 16.025 7.346 0.591 1.00 33.43 H new ATOM 0 HG SER A 118 18.082 5.359 0.499 1.00 23.01 H new ATOM 1780 N ILE A 119 15.441 3.959 -1.969 1.00 51.23 N ATOM 1781 CA ILE A 119 15.841 2.958 -2.948 1.00 44.54 C ATOM 1782 C ILE A 119 15.047 3.137 -4.242 1.00 2.01 C ATOM 1783 O ILE A 119 13.907 3.602 -4.214 1.00 63.10 O ATOM 1784 CB ILE A 119 15.625 1.526 -2.392 1.00 10.14 C ATOM 1785 CG1 ILE A 119 16.198 0.471 -3.344 1.00 50.20 C ATOM 1786 CG2 ILE A 119 14.146 1.267 -2.145 1.00 71.14 C ATOM 1787 CD1 ILE A 119 16.082 -0.950 -2.828 1.00 65.22 C ATOM 0 H ILE A 119 14.534 4.388 -2.152 1.00 51.23 H new ATOM 0 HA ILE A 119 16.902 3.093 -3.157 1.00 44.54 H new ATOM 0 HB ILE A 119 16.157 1.451 -1.444 1.00 10.14 H new ATOM 0 HG12 ILE A 119 15.683 0.542 -4.302 1.00 50.20 H new ATOM 0 HG13 ILE A 119 17.248 0.695 -3.529 1.00 50.20 H new ATOM 0 HG21 ILE A 119 14.013 0.258 -1.755 1.00 71.14 H new ATOM 0 HG22 ILE A 119 13.766 1.988 -1.421 1.00 71.14 H new ATOM 0 HG23 ILE A 119 13.597 1.369 -3.081 1.00 71.14 H new ATOM 0 HD11 ILE A 119 16.509 -1.638 -3.557 1.00 65.22 H new ATOM 0 HD12 ILE A 119 16.621 -1.040 -1.885 1.00 65.22 H new ATOM 0 HD13 ILE A 119 15.032 -1.195 -2.670 1.00 65.22 H new ATOM 1799 N LYS A 120 15.654 2.801 -5.372 1.00 15.35 N ATOM 1800 CA LYS A 120 14.958 2.866 -6.647 1.00 31.35 C ATOM 1801 C LYS A 120 14.270 1.541 -6.937 1.00 70.42 C ATOM 1802 O LYS A 120 14.855 0.474 -6.741 1.00 75.14 O ATOM 1803 CB LYS A 120 15.922 3.202 -7.784 1.00 12.13 C ATOM 1804 CG LYS A 120 15.225 3.388 -9.123 1.00 73.31 C ATOM 1805 CD LYS A 120 16.213 3.625 -10.255 1.00 34.02 C ATOM 1806 CE LYS A 120 17.067 2.400 -10.525 1.00 54.10 C ATOM 1807 NZ LYS A 120 17.941 2.582 -11.710 1.00 42.42 N ATOM 0 H LYS A 120 16.621 2.483 -5.431 1.00 15.35 H new ATOM 0 HA LYS A 120 14.211 3.657 -6.581 1.00 31.35 H new ATOM 0 HB2 LYS A 120 16.465 4.114 -7.534 1.00 12.13 H new ATOM 0 HB3 LYS A 120 16.661 2.405 -7.873 1.00 12.13 H new ATOM 0 HG2 LYS A 120 14.625 2.505 -9.345 1.00 73.31 H new ATOM 0 HG3 LYS A 120 14.538 4.232 -9.059 1.00 73.31 H new ATOM 0 HD2 LYS A 120 15.670 3.896 -11.160 1.00 34.02 H new ATOM 0 HD3 LYS A 120 16.856 4.468 -10.005 1.00 34.02 H new ATOM 0 HE2 LYS A 120 17.682 2.187 -9.650 1.00 54.10 H new ATOM 0 HE3 LYS A 120 16.422 1.535 -10.680 1.00 54.10 H new ATOM 0 HZ1 LYS A 120 18.613 1.791 -11.771 1.00 42.42 H new ATOM 0 HZ2 LYS A 120 17.358 2.608 -12.571 1.00 42.42 H new ATOM 0 HZ3 LYS A 120 18.466 3.476 -11.620 1.00 42.42 H new ATOM 1821 N ALA A 121 13.033 1.614 -7.397 1.00 42.22 N ATOM 1822 CA ALA A 121 12.265 0.425 -7.715 1.00 73.31 C ATOM 1823 C ALA A 121 11.229 0.729 -8.788 1.00 23.54 C ATOM 1824 O ALA A 121 11.087 1.876 -9.216 1.00 43.55 O ATOM 1825 CB ALA A 121 11.589 -0.114 -6.462 1.00 64.42 C ATOM 0 H ALA A 121 12.537 2.491 -7.559 1.00 42.22 H new ATOM 0 HA ALA A 121 12.945 -0.335 -8.100 1.00 73.31 H new ATOM 0 HB1 ALA A 121 11.016 -1.006 -6.713 1.00 64.42 H new ATOM 0 HB2 ALA A 121 12.346 -0.366 -5.720 1.00 64.42 H new ATOM 0 HB3 ALA A 121 10.920 0.644 -6.055 1.00 64.42 H new ATOM 1831 N ARG A 122 10.531 -0.304 -9.235 1.00 12.14 N ATOM 1832 CA ARG A 122 9.417 -0.135 -10.157 1.00 2.43 C ATOM 1833 C ARG A 122 8.145 -0.711 -9.549 1.00 2.22 C ATOM 1834 O ARG A 122 7.049 -0.197 -9.758 1.00 51.34 O ATOM 1835 CB ARG A 122 9.691 -0.814 -11.503 1.00 2.22 C ATOM 1836 CG ARG A 122 8.482 -0.776 -12.422 1.00 61.42 C ATOM 1837 CD ARG A 122 8.633 -1.661 -13.645 1.00 32.52 C ATOM 1838 NE ARG A 122 7.323 -1.982 -14.203 1.00 74.04 N ATOM 1839 CZ ARG A 122 7.104 -2.416 -15.442 1.00 1.13 C ATOM 1840 NH1 ARG A 122 8.106 -2.579 -16.298 1.00 12.34 N ATOM 1841 NH2 ARG A 122 5.865 -2.701 -15.814 1.00 14.11 N ATOM 0 H ARG A 122 10.717 -1.272 -8.973 1.00 12.14 H new ATOM 0 HA ARG A 122 9.293 0.934 -10.333 1.00 2.43 H new ATOM 0 HB2 ARG A 122 10.532 -0.322 -11.992 1.00 2.22 H new ATOM 0 HB3 ARG A 122 9.983 -1.850 -11.332 1.00 2.22 H new ATOM 0 HG2 ARG A 122 7.599 -1.087 -11.863 1.00 61.42 H new ATOM 0 HG3 ARG A 122 8.310 0.251 -12.744 1.00 61.42 H new ATOM 0 HD2 ARG A 122 9.241 -1.156 -14.395 1.00 32.52 H new ATOM 0 HD3 ARG A 122 9.156 -2.579 -13.376 1.00 32.52 H new ATOM 0 HE ARG A 122 6.512 -1.865 -13.596 1.00 74.04 H new ATOM 0 HH11 ARG A 122 9.062 -2.371 -16.010 1.00 12.34 H new ATOM 0 HH12 ARG A 122 7.920 -2.913 -17.244 1.00 12.34 H new ATOM 0 HH21 ARG A 122 5.095 -2.587 -15.154 1.00 14.11 H new ATOM 0 HH22 ARG A 122 5.681 -3.035 -16.760 1.00 14.11 H new ATOM 1855 N TYR A 123 8.302 -1.784 -8.792 1.00 1.01 N ATOM 1856 CA TYR A 123 7.171 -2.436 -8.162 1.00 64.53 C ATOM 1857 C TYR A 123 7.218 -2.183 -6.662 1.00 44.55 C ATOM 1858 O TYR A 123 8.299 -2.124 -6.073 1.00 41.53 O ATOM 1859 CB TYR A 123 7.204 -3.945 -8.433 1.00 25.13 C ATOM 1860 CG TYR A 123 7.301 -4.319 -9.899 1.00 25.55 C ATOM 1861 CD1 TYR A 123 8.535 -4.408 -10.532 1.00 43.00 C ATOM 1862 CD2 TYR A 123 6.165 -4.597 -10.646 1.00 34.23 C ATOM 1863 CE1 TYR A 123 8.632 -4.760 -11.865 1.00 53.33 C ATOM 1864 CE2 TYR A 123 6.253 -4.954 -11.980 1.00 1.31 C ATOM 1865 CZ TYR A 123 7.490 -5.033 -12.586 1.00 1.11 C ATOM 1866 OH TYR A 123 7.586 -5.392 -13.915 1.00 63.03 O ATOM 0 H TYR A 123 9.203 -2.221 -8.600 1.00 1.01 H new ATOM 0 HA TYR A 123 6.249 -2.028 -8.576 1.00 64.53 H new ATOM 0 HB2 TYR A 123 8.053 -4.378 -7.904 1.00 25.13 H new ATOM 0 HB3 TYR A 123 6.304 -4.396 -8.015 1.00 25.13 H new ATOM 0 HD1 TYR A 123 9.434 -4.198 -9.972 1.00 43.00 H new ATOM 0 HD2 TYR A 123 5.194 -4.534 -10.177 1.00 34.23 H new ATOM 0 HE1 TYR A 123 9.600 -4.821 -12.340 1.00 53.33 H new ATOM 0 HE2 TYR A 123 5.358 -5.170 -12.544 1.00 1.31 H new ATOM 0 HH TYR A 123 6.689 -5.551 -14.276 1.00 63.03 H new ATOM 1876 N ILE A 124 6.056 -2.049 -6.051 1.00 34.20 N ATOM 1877 CA ILE A 124 5.970 -1.812 -4.618 1.00 74.42 C ATOM 1878 C ILE A 124 4.955 -2.766 -3.991 1.00 71.41 C ATOM 1879 O ILE A 124 3.904 -3.036 -4.572 1.00 75.12 O ATOM 1880 CB ILE A 124 5.597 -0.338 -4.306 1.00 61.14 C ATOM 1881 CG1 ILE A 124 5.522 -0.107 -2.791 1.00 42.32 C ATOM 1882 CG2 ILE A 124 4.284 0.045 -4.978 1.00 0.23 C ATOM 1883 CD1 ILE A 124 5.227 1.325 -2.404 1.00 1.51 C ATOM 0 H ILE A 124 5.154 -2.100 -6.525 1.00 34.20 H new ATOM 0 HA ILE A 124 6.952 -2.000 -4.184 1.00 74.42 H new ATOM 0 HB ILE A 124 6.381 0.303 -4.710 1.00 61.14 H new ATOM 0 HG12 ILE A 124 4.750 -0.753 -2.373 1.00 42.32 H new ATOM 0 HG13 ILE A 124 6.468 -0.408 -2.340 1.00 42.32 H new ATOM 0 HG21 ILE A 124 4.045 1.082 -4.744 1.00 0.23 H new ATOM 0 HG22 ILE A 124 4.381 -0.071 -6.058 1.00 0.23 H new ATOM 0 HG23 ILE A 124 3.486 -0.602 -4.614 1.00 0.23 H new ATOM 0 HD11 ILE A 124 5.190 1.408 -1.318 1.00 1.51 H new ATOM 0 HD12 ILE A 124 6.011 1.975 -2.791 1.00 1.51 H new ATOM 0 HD13 ILE A 124 4.267 1.625 -2.824 1.00 1.51 H new ATOM 1895 N ARG A 125 5.280 -3.296 -2.824 1.00 11.04 N ATOM 1896 CA ARG A 125 4.417 -4.263 -2.173 1.00 41.50 C ATOM 1897 C ARG A 125 4.049 -3.810 -0.768 1.00 42.24 C ATOM 1898 O ARG A 125 4.917 -3.633 0.089 1.00 1.04 O ATOM 1899 CB ARG A 125 5.094 -5.635 -2.123 1.00 12.43 C ATOM 1900 CG ARG A 125 4.212 -6.733 -1.551 1.00 61.44 C ATOM 1901 CD ARG A 125 4.917 -8.081 -1.581 1.00 41.15 C ATOM 1902 NE ARG A 125 6.111 -8.102 -0.732 1.00 33.11 N ATOM 1903 CZ ARG A 125 7.109 -8.978 -0.864 1.00 72.44 C ATOM 1904 NH1 ARG A 125 7.100 -9.864 -1.854 1.00 51.43 N ATOM 1905 NH2 ARG A 125 8.119 -8.962 -0.002 1.00 70.52 N ATOM 0 H ARG A 125 6.133 -3.073 -2.310 1.00 11.04 H new ATOM 0 HA ARG A 125 3.500 -4.342 -2.758 1.00 41.50 H new ATOM 0 HB2 ARG A 125 5.400 -5.916 -3.131 1.00 12.43 H new ATOM 0 HB3 ARG A 125 6.001 -5.561 -1.523 1.00 12.43 H new ATOM 0 HG2 ARG A 125 3.939 -6.486 -0.525 1.00 61.44 H new ATOM 0 HG3 ARG A 125 3.285 -6.792 -2.122 1.00 61.44 H new ATOM 0 HD2 ARG A 125 4.226 -8.857 -1.252 1.00 41.15 H new ATOM 0 HD3 ARG A 125 5.199 -8.319 -2.607 1.00 41.15 H new ATOM 0 HE ARG A 125 6.184 -7.403 0.007 1.00 33.11 H new ATOM 0 HH11 ARG A 125 6.327 -9.878 -2.519 1.00 51.43 H new ATOM 0 HH12 ARG A 125 7.866 -10.531 -1.949 1.00 51.43 H new ATOM 0 HH21 ARG A 125 8.130 -8.282 0.758 1.00 70.52 H new ATOM 0 HH22 ARG A 125 8.884 -9.630 -0.100 1.00 70.52 H new ATOM 1919 N LEU A 126 2.762 -3.611 -0.552 1.00 51.53 N ATOM 1920 CA LEU A 126 2.242 -3.332 0.772 1.00 51.54 C ATOM 1921 C LEU A 126 1.988 -4.647 1.488 1.00 4.53 C ATOM 1922 O LEU A 126 1.142 -5.434 1.062 1.00 24.33 O ATOM 1923 CB LEU A 126 0.942 -2.531 0.687 1.00 21.45 C ATOM 1924 CG LEU A 126 0.272 -2.243 2.033 1.00 61.24 C ATOM 1925 CD1 LEU A 126 1.089 -1.244 2.840 1.00 22.42 C ATOM 1926 CD2 LEU A 126 -1.144 -1.740 1.823 1.00 54.42 C ATOM 0 H LEU A 126 2.053 -3.638 -1.284 1.00 51.53 H new ATOM 0 HA LEU A 126 2.972 -2.739 1.323 1.00 51.54 H new ATOM 0 HB2 LEU A 126 1.149 -1.583 0.190 1.00 21.45 H new ATOM 0 HB3 LEU A 126 0.238 -3.074 0.056 1.00 21.45 H new ATOM 0 HG LEU A 126 0.224 -3.173 2.600 1.00 61.24 H new ATOM 0 HD11 LEU A 126 0.594 -1.054 3.792 1.00 22.42 H new ATOM 0 HD12 LEU A 126 2.084 -1.651 3.023 1.00 22.42 H new ATOM 0 HD13 LEU A 126 1.175 -0.311 2.284 1.00 22.42 H new ATOM 0 HD21 LEU A 126 -1.606 -1.540 2.790 1.00 54.42 H new ATOM 0 HD22 LEU A 126 -1.121 -0.822 1.235 1.00 54.42 H new ATOM 0 HD23 LEU A 126 -1.724 -2.496 1.293 1.00 54.42 H new ATOM 1938 N THR A 127 2.731 -4.895 2.550 1.00 32.51 N ATOM 1939 CA THR A 127 2.602 -6.136 3.282 1.00 40.24 C ATOM 1940 C THR A 127 2.017 -5.903 4.671 1.00 31.24 C ATOM 1941 O THR A 127 2.593 -5.191 5.498 1.00 65.31 O ATOM 1942 CB THR A 127 3.963 -6.851 3.405 1.00 44.25 C ATOM 1943 OG1 THR A 127 4.488 -7.128 2.097 1.00 54.51 O ATOM 1944 CG2 THR A 127 3.833 -8.151 4.187 1.00 34.15 C ATOM 0 H THR A 127 3.429 -4.252 2.923 1.00 32.51 H new ATOM 0 HA THR A 127 1.919 -6.772 2.719 1.00 40.24 H new ATOM 0 HB THR A 127 4.644 -6.192 3.944 1.00 44.25 H new ATOM 0 HG1 THR A 127 4.224 -8.031 1.823 1.00 54.51 H new ATOM 0 HG21 THR A 127 4.808 -8.632 4.257 1.00 34.15 H new ATOM 0 HG22 THR A 127 3.461 -7.937 5.189 1.00 34.15 H new ATOM 0 HG23 THR A 127 3.136 -8.815 3.675 1.00 34.15 H new ATOM 1952 N ILE A 128 0.856 -6.487 4.903 1.00 24.44 N ATOM 1953 CA ILE A 128 0.246 -6.492 6.216 1.00 53.11 C ATOM 1954 C ILE A 128 0.511 -7.839 6.880 1.00 75.41 C ATOM 1955 O ILE A 128 -0.166 -8.825 6.584 1.00 63.34 O ATOM 1956 CB ILE A 128 -1.281 -6.248 6.138 1.00 2.05 C ATOM 1957 CG1 ILE A 128 -1.588 -4.992 5.310 1.00 10.41 C ATOM 1958 CG2 ILE A 128 -1.878 -6.124 7.536 1.00 35.31 C ATOM 1959 CD1 ILE A 128 -1.010 -3.716 5.888 1.00 53.31 C ATOM 0 H ILE A 128 0.312 -6.969 4.188 1.00 24.44 H new ATOM 0 HA ILE A 128 0.684 -5.683 6.801 1.00 53.11 H new ATOM 0 HB ILE A 128 -1.737 -7.105 5.644 1.00 2.05 H new ATOM 0 HG12 ILE A 128 -1.199 -5.130 4.301 1.00 10.41 H new ATOM 0 HG13 ILE A 128 -2.669 -4.882 5.223 1.00 10.41 H new ATOM 0 HG21 ILE A 128 -2.952 -5.953 7.459 1.00 35.31 H new ATOM 0 HG22 ILE A 128 -1.696 -7.044 8.092 1.00 35.31 H new ATOM 0 HG23 ILE A 128 -1.414 -5.287 8.057 1.00 35.31 H new ATOM 0 HD11 ILE A 128 -1.271 -2.875 5.246 1.00 53.31 H new ATOM 0 HD12 ILE A 128 -1.418 -3.551 6.885 1.00 53.31 H new ATOM 0 HD13 ILE A 128 0.075 -3.803 5.949 1.00 53.31 H new ATOM 1971 N PRO A 129 1.529 -7.910 7.750 1.00 32.54 N ATOM 1972 CA PRO A 129 1.916 -9.159 8.405 1.00 32.53 C ATOM 1973 C PRO A 129 0.884 -9.620 9.427 1.00 51.34 C ATOM 1974 O PRO A 129 -0.027 -8.877 9.782 1.00 53.43 O ATOM 1975 CB PRO A 129 3.238 -8.809 9.096 1.00 21.24 C ATOM 1976 CG PRO A 129 3.182 -7.336 9.309 1.00 54.44 C ATOM 1977 CD PRO A 129 2.380 -6.778 8.166 1.00 1.12 C ATOM 0 HA PRO A 129 1.999 -9.981 7.695 1.00 32.53 H new ATOM 0 HB2 PRO A 129 3.342 -9.341 10.042 1.00 21.24 H new ATOM 0 HB3 PRO A 129 4.092 -9.087 8.478 1.00 21.24 H new ATOM 0 HG2 PRO A 129 2.715 -7.098 10.265 1.00 54.44 H new ATOM 0 HG3 PRO A 129 4.184 -6.907 9.328 1.00 54.44 H new ATOM 0 HD2 PRO A 129 1.783 -5.921 8.477 1.00 1.12 H new ATOM 0 HD3 PRO A 129 3.023 -6.440 7.353 1.00 1.12 H new ATOM 1985 N ASP A 130 1.033 -10.847 9.902 1.00 2.51 N ATOM 1986 CA ASP A 130 0.145 -11.381 10.929 1.00 4.22 C ATOM 1987 C ASP A 130 0.785 -11.222 12.300 1.00 40.32 C ATOM 1988 O ASP A 130 0.270 -11.708 13.307 1.00 4.53 O ATOM 1989 CB ASP A 130 -0.175 -12.858 10.663 1.00 2.51 C ATOM 1990 CG ASP A 130 1.013 -13.775 10.884 1.00 32.55 C ATOM 1991 OD1 ASP A 130 2.034 -13.613 10.189 1.00 15.14 O ATOM 1992 OD2 ASP A 130 0.921 -14.676 11.745 1.00 34.31 O ATOM 0 H ASP A 130 1.760 -11.493 9.594 1.00 2.51 H new ATOM 0 HA ASP A 130 -0.790 -10.821 10.902 1.00 4.22 H new ATOM 0 HB2 ASP A 130 -0.992 -13.169 11.314 1.00 2.51 H new ATOM 0 HB3 ASP A 130 -0.525 -12.968 9.637 1.00 2.51 H new ATOM 1997 N ASP A 131 1.903 -10.511 12.323 1.00 43.43 N ATOM 1998 CA ASP A 131 2.664 -10.288 13.544 1.00 32.54 C ATOM 1999 C ASP A 131 2.582 -8.825 13.953 1.00 31.44 C ATOM 2000 O ASP A 131 2.643 -7.932 13.107 1.00 35.21 O ATOM 2001 CB ASP A 131 4.129 -10.692 13.342 1.00 21.40 C ATOM 2002 CG ASP A 131 5.017 -10.302 14.510 1.00 33.14 C ATOM 2003 OD1 ASP A 131 5.035 -11.030 15.526 1.00 70.54 O ATOM 2004 OD2 ASP A 131 5.708 -9.265 14.419 1.00 25.23 O ATOM 0 H ASP A 131 2.308 -10.072 11.496 1.00 43.43 H new ATOM 0 HA ASP A 131 2.236 -10.903 14.336 1.00 32.54 H new ATOM 0 HB2 ASP A 131 4.186 -11.770 13.193 1.00 21.40 H new ATOM 0 HB3 ASP A 131 4.507 -10.225 12.433 1.00 21.40 H new ATOM 2009 N GLY A 132 2.417 -8.592 15.244 1.00 2.11 N ATOM 2010 CA GLY A 132 2.353 -7.239 15.755 1.00 31.12 C ATOM 2011 C GLY A 132 0.981 -6.911 16.298 1.00 44.44 C ATOM 2012 O GLY A 132 0.790 -5.891 16.957 1.00 34.12 O ATOM 0 H GLY A 132 2.326 -9.320 15.952 1.00 2.11 H new ATOM 0 HA2 GLY A 132 3.096 -7.112 16.542 1.00 31.12 H new ATOM 0 HA3 GLY A 132 2.607 -6.537 14.960 1.00 31.12 H new ATOM 2016 N GLY A 133 0.028 -7.788 16.026 1.00 12.03 N ATOM 2017 CA GLY A 133 -1.325 -7.587 16.492 1.00 72.41 C ATOM 2018 C GLY A 133 -2.277 -7.244 15.367 1.00 63.34 C ATOM 2019 O GLY A 133 -3.363 -6.716 15.603 1.00 63.25 O ATOM 0 H GLY A 133 0.170 -8.642 15.486 1.00 12.03 H new ATOM 0 HA2 GLY A 133 -1.671 -8.490 16.995 1.00 72.41 H new ATOM 0 HA3 GLY A 133 -1.337 -6.786 17.231 1.00 72.41 H new ATOM 2023 N ASN A 134 -1.877 -7.547 14.141 1.00 73.24 N ATOM 2024 CA ASN A 134 -2.704 -7.236 12.984 1.00 4.14 C ATOM 2025 C ASN A 134 -3.848 -8.227 12.858 1.00 1.00 C ATOM 2026 O ASN A 134 -3.656 -9.435 13.012 1.00 65.15 O ATOM 2027 CB ASN A 134 -1.880 -7.252 11.698 1.00 74.32 C ATOM 2028 CG ASN A 134 -0.806 -6.186 11.668 1.00 44.24 C ATOM 2029 OD1 ASN A 134 -0.922 -5.144 12.305 1.00 12.21 O ATOM 2030 ND2 ASN A 134 0.245 -6.435 10.913 1.00 25.40 N ATOM 0 H ASN A 134 -0.992 -8.004 13.922 1.00 73.24 H new ATOM 0 HA ASN A 134 -3.109 -6.235 13.133 1.00 4.14 H new ATOM 0 HB2 ASN A 134 -1.415 -8.231 11.584 1.00 74.32 H new ATOM 0 HB3 ASN A 134 -2.545 -7.113 10.846 1.00 74.32 H new ATOM 0 HD21 ASN A 134 0.997 -5.750 10.844 1.00 25.40 H new ATOM 0 HD22 ASN A 134 0.306 -7.313 10.398 1.00 25.40 H new ATOM 2037 N SER A 135 -5.035 -7.713 12.587 1.00 41.32 N ATOM 2038 CA SER A 135 -6.197 -8.555 12.375 1.00 62.40 C ATOM 2039 C SER A 135 -6.572 -8.577 10.894 1.00 52.14 C ATOM 2040 O SER A 135 -5.861 -8.016 10.061 1.00 23.41 O ATOM 2041 CB SER A 135 -7.365 -8.060 13.224 1.00 13.32 C ATOM 2042 OG SER A 135 -7.012 -8.041 14.597 1.00 45.44 O ATOM 0 H SER A 135 -5.219 -6.713 12.509 1.00 41.32 H new ATOM 0 HA SER A 135 -5.957 -9.574 12.680 1.00 62.40 H new ATOM 0 HB2 SER A 135 -7.656 -7.059 12.904 1.00 13.32 H new ATOM 0 HB3 SER A 135 -8.230 -8.706 13.074 1.00 13.32 H new ATOM 0 HG SER A 135 -7.772 -7.720 15.126 1.00 45.44 H new ATOM 2048 N THR A 136 -7.692 -9.210 10.576 1.00 25.13 N ATOM 2049 CA THR A 136 -8.110 -9.390 9.193 1.00 3.44 C ATOM 2050 C THR A 136 -8.871 -8.175 8.658 1.00 13.34 C ATOM 2051 O THR A 136 -9.334 -8.167 7.518 1.00 31.22 O ATOM 2052 CB THR A 136 -8.990 -10.642 9.072 1.00 53.41 C ATOM 2053 OG1 THR A 136 -9.962 -10.647 10.126 1.00 65.04 O ATOM 2054 CG2 THR A 136 -8.149 -11.908 9.144 1.00 1.12 C ATOM 0 H THR A 136 -8.332 -9.610 11.262 1.00 25.13 H new ATOM 0 HA THR A 136 -7.208 -9.508 8.593 1.00 3.44 H new ATOM 0 HB THR A 136 -9.493 -10.620 8.105 1.00 53.41 H new ATOM 0 HG1 THR A 136 -10.745 -11.167 9.847 1.00 65.04 H new ATOM 0 HG21 THR A 136 -8.796 -12.780 9.056 1.00 1.12 H new ATOM 0 HG22 THR A 136 -7.424 -11.910 8.330 1.00 1.12 H new ATOM 0 HG23 THR A 136 -7.623 -11.942 10.098 1.00 1.12 H new ATOM 2062 N VAL A 137 -8.996 -7.146 9.484 1.00 51.44 N ATOM 2063 CA VAL A 137 -9.702 -5.937 9.088 1.00 23.35 C ATOM 2064 C VAL A 137 -8.712 -4.812 8.806 1.00 22.33 C ATOM 2065 O VAL A 137 -7.885 -4.475 9.653 1.00 33.13 O ATOM 2066 CB VAL A 137 -10.709 -5.483 10.169 1.00 22.13 C ATOM 2067 CG1 VAL A 137 -11.483 -4.255 9.709 1.00 4.01 C ATOM 2068 CG2 VAL A 137 -11.658 -6.618 10.522 1.00 1.30 C ATOM 0 H VAL A 137 -8.618 -7.124 10.431 1.00 51.44 H new ATOM 0 HA VAL A 137 -10.259 -6.168 8.180 1.00 23.35 H new ATOM 0 HB VAL A 137 -10.150 -5.211 11.064 1.00 22.13 H new ATOM 0 HG11 VAL A 137 -12.185 -3.955 10.487 1.00 4.01 H new ATOM 0 HG12 VAL A 137 -10.788 -3.439 9.513 1.00 4.01 H new ATOM 0 HG13 VAL A 137 -12.031 -4.491 8.797 1.00 4.01 H new ATOM 0 HG21 VAL A 137 -12.360 -6.281 11.285 1.00 1.30 H new ATOM 0 HG22 VAL A 137 -12.208 -6.923 9.632 1.00 1.30 H new ATOM 0 HG23 VAL A 137 -11.087 -7.465 10.903 1.00 1.30 H new ATOM 2078 N ALA A 138 -8.794 -4.246 7.611 1.00 0.11 N ATOM 2079 CA ALA A 138 -7.911 -3.163 7.209 1.00 31.34 C ATOM 2080 C ALA A 138 -8.657 -2.166 6.331 1.00 52.23 C ATOM 2081 O ALA A 138 -9.479 -2.558 5.501 1.00 75.31 O ATOM 2082 CB ALA A 138 -6.697 -3.714 6.474 1.00 40.21 C ATOM 0 H ALA A 138 -9.469 -4.522 6.898 1.00 0.11 H new ATOM 0 HA ALA A 138 -7.568 -2.645 8.105 1.00 31.34 H new ATOM 0 HB1 ALA A 138 -6.046 -2.891 6.180 1.00 40.21 H new ATOM 0 HB2 ALA A 138 -6.151 -4.392 7.130 1.00 40.21 H new ATOM 0 HB3 ALA A 138 -7.024 -4.254 5.585 1.00 40.21 H new ATOM 2088 N ALA A 139 -8.378 -0.882 6.526 1.00 61.13 N ATOM 2089 CA ALA A 139 -9.031 0.167 5.754 1.00 61.14 C ATOM 2090 C ALA A 139 -8.132 1.391 5.623 1.00 12.12 C ATOM 2091 O ALA A 139 -7.826 2.062 6.612 1.00 74.35 O ATOM 2092 CB ALA A 139 -10.354 0.552 6.396 1.00 1.04 C ATOM 0 H ALA A 139 -7.704 -0.543 7.212 1.00 61.13 H new ATOM 0 HA ALA A 139 -9.225 -0.221 4.754 1.00 61.14 H new ATOM 0 HB1 ALA A 139 -10.829 1.337 5.807 1.00 1.04 H new ATOM 0 HB2 ALA A 139 -11.007 -0.320 6.434 1.00 1.04 H new ATOM 0 HB3 ALA A 139 -10.175 0.915 7.408 1.00 1.04 H new ATOM 2098 N ILE A 140 -7.702 1.671 4.406 1.00 75.54 N ATOM 2099 CA ILE A 140 -6.866 2.833 4.143 1.00 52.13 C ATOM 2100 C ILE A 140 -7.504 3.665 3.043 1.00 52.52 C ATOM 2101 O ILE A 140 -7.922 3.117 2.027 1.00 4.12 O ATOM 2102 CB ILE A 140 -5.437 2.430 3.705 1.00 72.32 C ATOM 2103 CG1 ILE A 140 -4.879 1.326 4.614 1.00 73.34 C ATOM 2104 CG2 ILE A 140 -4.517 3.646 3.728 1.00 11.20 C ATOM 2105 CD1 ILE A 140 -3.524 0.808 4.181 1.00 23.34 C ATOM 0 H ILE A 140 -7.917 1.110 3.582 1.00 75.54 H new ATOM 0 HA ILE A 140 -6.786 3.405 5.067 1.00 52.13 H new ATOM 0 HB ILE A 140 -5.487 2.043 2.687 1.00 72.32 H new ATOM 0 HG12 ILE A 140 -4.803 1.709 5.632 1.00 73.34 H new ATOM 0 HG13 ILE A 140 -5.585 0.496 4.638 1.00 73.34 H new ATOM 0 HG21 ILE A 140 -3.515 3.350 3.418 1.00 11.20 H new ATOM 0 HG22 ILE A 140 -4.899 4.404 3.044 1.00 11.20 H new ATOM 0 HG23 ILE A 140 -4.479 4.054 4.738 1.00 11.20 H new ATOM 0 HD11 ILE A 140 -3.194 0.031 4.870 1.00 23.34 H new ATOM 0 HD12 ILE A 140 -3.597 0.394 3.175 1.00 23.34 H new ATOM 0 HD13 ILE A 140 -2.804 1.626 4.185 1.00 23.34 H new ATOM 2117 N ARG A 141 -7.590 4.975 3.251 1.00 61.11 N ATOM 2118 CA ARG A 141 -8.182 5.866 2.259 1.00 4.42 C ATOM 2119 C ARG A 141 -7.335 5.894 0.996 1.00 15.22 C ATOM 2120 O ARG A 141 -7.782 5.489 -0.070 1.00 40.34 O ATOM 2121 CB ARG A 141 -8.322 7.290 2.811 1.00 51.53 C ATOM 2122 CG ARG A 141 -9.469 7.476 3.792 1.00 44.01 C ATOM 2123 CD ARG A 141 -9.476 8.885 4.372 1.00 73.22 C ATOM 2124 NE ARG A 141 -10.685 9.160 5.153 1.00 25.01 N ATOM 2125 CZ ARG A 141 -10.834 10.213 5.967 1.00 41.24 C ATOM 2126 NH1 ARG A 141 -9.822 11.058 6.165 1.00 23.14 N ATOM 2127 NH2 ARG A 141 -11.990 10.411 6.592 1.00 55.04 N ATOM 0 H ARG A 141 -7.258 5.442 4.095 1.00 61.11 H new ATOM 0 HA ARG A 141 -9.174 5.483 2.020 1.00 4.42 H new ATOM 0 HB2 ARG A 141 -7.390 7.568 3.304 1.00 51.53 H new ATOM 0 HB3 ARG A 141 -8.459 7.978 1.977 1.00 51.53 H new ATOM 0 HG2 ARG A 141 -10.416 7.283 3.289 1.00 44.01 H new ATOM 0 HG3 ARG A 141 -9.382 6.748 4.599 1.00 44.01 H new ATOM 0 HD2 ARG A 141 -8.599 9.019 5.005 1.00 73.22 H new ATOM 0 HD3 ARG A 141 -9.397 9.609 3.561 1.00 73.22 H new ATOM 0 HE ARG A 141 -11.464 8.507 5.071 1.00 25.01 H new ATOM 0 HH11 ARG A 141 -8.930 10.904 5.696 1.00 23.14 H new ATOM 0 HH12 ARG A 141 -9.940 11.859 6.786 1.00 23.14 H new ATOM 0 HH21 ARG A 141 -12.763 9.761 6.452 1.00 55.04 H new ATOM 0 HH22 ARG A 141 -12.104 11.213 7.212 1.00 55.04 H new ATOM 2141 N GLU A 142 -6.100 6.342 1.132 1.00 74.34 N ATOM 2142 CA GLU A 142 -5.244 6.540 -0.023 1.00 72.41 C ATOM 2143 C GLU A 142 -3.789 6.274 0.347 1.00 42.43 C ATOM 2144 O GLU A 142 -3.338 6.640 1.437 1.00 75.14 O ATOM 2145 CB GLU A 142 -5.420 7.979 -0.529 1.00 31.13 C ATOM 2146 CG GLU A 142 -4.737 8.285 -1.853 1.00 10.23 C ATOM 2147 CD GLU A 142 -5.434 7.660 -3.048 1.00 34.01 C ATOM 2148 OE1 GLU A 142 -6.511 8.143 -3.430 1.00 13.41 O ATOM 2149 OE2 GLU A 142 -4.871 6.720 -3.643 1.00 5.20 O ATOM 0 H GLU A 142 -5.669 6.575 2.027 1.00 74.34 H new ATOM 0 HA GLU A 142 -5.522 5.842 -0.813 1.00 72.41 H new ATOM 0 HB2 GLU A 142 -6.486 8.184 -0.632 1.00 31.13 H new ATOM 0 HB3 GLU A 142 -5.035 8.663 0.227 1.00 31.13 H new ATOM 0 HG2 GLU A 142 -4.694 9.365 -1.990 1.00 10.23 H new ATOM 0 HG3 GLU A 142 -3.708 7.928 -1.814 1.00 10.23 H new ATOM 2156 N LEU A 143 -3.069 5.608 -0.545 1.00 22.23 N ATOM 2157 CA LEU A 143 -1.650 5.356 -0.357 1.00 35.54 C ATOM 2158 C LEU A 143 -0.862 6.127 -1.396 1.00 62.52 C ATOM 2159 O LEU A 143 -0.996 5.882 -2.595 1.00 74.01 O ATOM 2160 CB LEU A 143 -1.346 3.852 -0.455 1.00 44.54 C ATOM 2161 CG LEU A 143 0.133 3.451 -0.323 1.00 13.23 C ATOM 2162 CD1 LEU A 143 0.245 2.062 0.279 1.00 13.32 C ATOM 2163 CD2 LEU A 143 0.831 3.465 -1.677 1.00 60.41 C ATOM 0 H LEU A 143 -3.450 5.230 -1.413 1.00 22.23 H new ATOM 0 HA LEU A 143 -1.357 5.691 0.638 1.00 35.54 H new ATOM 0 HB2 LEU A 143 -1.912 3.336 0.321 1.00 44.54 H new ATOM 0 HB3 LEU A 143 -1.716 3.489 -1.414 1.00 44.54 H new ATOM 0 HG LEU A 143 0.617 4.178 0.329 1.00 13.23 H new ATOM 0 HD11 LEU A 143 1.296 1.788 0.368 1.00 13.32 H new ATOM 0 HD12 LEU A 143 -0.217 2.055 1.266 1.00 13.32 H new ATOM 0 HD13 LEU A 143 -0.264 1.344 -0.365 1.00 13.32 H new ATOM 0 HD21 LEU A 143 1.875 3.177 -1.551 1.00 60.41 H new ATOM 0 HD22 LEU A 143 0.339 2.761 -2.347 1.00 60.41 H new ATOM 0 HD23 LEU A 143 0.780 4.467 -2.102 1.00 60.41 H new ATOM 2175 N ASP A 144 -0.051 7.060 -0.940 1.00 44.03 N ATOM 2176 CA ASP A 144 0.764 7.861 -1.837 1.00 62.55 C ATOM 2177 C ASP A 144 2.234 7.570 -1.607 1.00 10.11 C ATOM 2178 O ASP A 144 2.641 7.196 -0.509 1.00 11.24 O ATOM 2179 CB ASP A 144 0.500 9.362 -1.654 1.00 22.14 C ATOM 2180 CG ASP A 144 -0.847 9.802 -2.199 1.00 70.14 C ATOM 2181 OD1 ASP A 144 -1.146 9.502 -3.371 1.00 21.31 O ATOM 2182 OD2 ASP A 144 -1.602 10.471 -1.463 1.00 52.31 O ATOM 0 H ASP A 144 0.063 7.284 0.049 1.00 44.03 H new ATOM 0 HA ASP A 144 0.492 7.592 -2.858 1.00 62.55 H new ATOM 0 HB2 ASP A 144 0.553 9.607 -0.593 1.00 22.14 H new ATOM 0 HB3 ASP A 144 1.288 9.927 -2.152 1.00 22.14 H new ATOM 2187 N VAL A 145 3.021 7.714 -2.654 1.00 22.33 N ATOM 2188 CA VAL A 145 4.454 7.543 -2.555 1.00 54.40 C ATOM 2189 C VAL A 145 5.139 8.840 -2.944 1.00 22.44 C ATOM 2190 O VAL A 145 4.897 9.378 -4.026 1.00 1.01 O ATOM 2191 CB VAL A 145 4.967 6.398 -3.458 1.00 25.04 C ATOM 2192 CG1 VAL A 145 6.468 6.221 -3.297 1.00 24.05 C ATOM 2193 CG2 VAL A 145 4.238 5.098 -3.146 1.00 50.11 C ATOM 0 H VAL A 145 2.688 7.951 -3.589 1.00 22.33 H new ATOM 0 HA VAL A 145 4.689 7.280 -1.524 1.00 54.40 H new ATOM 0 HB VAL A 145 4.762 6.664 -4.495 1.00 25.04 H new ATOM 0 HG11 VAL A 145 6.810 5.410 -3.941 1.00 24.05 H new ATOM 0 HG12 VAL A 145 6.975 7.145 -3.576 1.00 24.05 H new ATOM 0 HG13 VAL A 145 6.697 5.981 -2.259 1.00 24.05 H new ATOM 0 HG21 VAL A 145 4.614 4.305 -3.793 1.00 50.11 H new ATOM 0 HG22 VAL A 145 4.407 4.827 -2.104 1.00 50.11 H new ATOM 0 HG23 VAL A 145 3.170 5.230 -3.318 1.00 50.11 H new ATOM 2203 N LYS A 146 5.964 9.359 -2.057 1.00 51.23 N ATOM 2204 CA LYS A 146 6.675 10.586 -2.334 1.00 32.42 C ATOM 2205 C LYS A 146 8.133 10.281 -2.636 1.00 74.43 C ATOM 2206 O LYS A 146 8.928 9.993 -1.738 1.00 42.40 O ATOM 2207 CB LYS A 146 6.543 11.551 -1.160 1.00 34.24 C ATOM 2208 CG LYS A 146 6.193 12.966 -1.583 1.00 10.10 C ATOM 2209 CD LYS A 146 5.582 13.772 -0.446 1.00 24.20 C ATOM 2210 CE LYS A 146 6.627 14.336 0.500 1.00 70.55 C ATOM 2211 NZ LYS A 146 7.279 13.275 1.303 1.00 1.11 N ATOM 0 H LYS A 146 6.157 8.951 -1.142 1.00 51.23 H new ATOM 0 HA LYS A 146 6.238 11.065 -3.210 1.00 32.42 H new ATOM 0 HB2 LYS A 146 5.775 11.182 -0.480 1.00 34.24 H new ATOM 0 HB3 LYS A 146 7.481 11.567 -0.604 1.00 34.24 H new ATOM 0 HG2 LYS A 146 7.091 13.469 -1.941 1.00 10.10 H new ATOM 0 HG3 LYS A 146 5.493 12.931 -2.418 1.00 10.10 H new ATOM 0 HD2 LYS A 146 4.994 14.591 -0.861 1.00 24.20 H new ATOM 0 HD3 LYS A 146 4.895 13.138 0.115 1.00 24.20 H new ATOM 0 HE2 LYS A 146 7.383 14.873 -0.073 1.00 70.55 H new ATOM 0 HE3 LYS A 146 6.159 15.060 1.167 1.00 70.55 H new ATOM 0 HZ1 LYS A 146 7.462 13.629 2.264 1.00 1.11 H new ATOM 0 HZ2 LYS A 146 6.655 12.445 1.353 1.00 1.11 H new ATOM 0 HZ3 LYS A 146 8.179 13.005 0.857 1.00 1.11 H new ATOM 2225 N GLY A 147 8.467 10.320 -3.912 1.00 41.02 N ATOM 2226 CA GLY A 147 9.804 9.995 -4.342 1.00 4.45 C ATOM 2227 C GLY A 147 10.194 10.771 -5.577 1.00 75.14 C ATOM 2228 O GLY A 147 9.618 11.824 -5.861 1.00 34.31 O ATOM 0 H GLY A 147 7.828 10.574 -4.665 1.00 41.02 H new ATOM 0 HA2 GLY A 147 10.508 10.211 -3.538 1.00 4.45 H new ATOM 0 HA3 GLY A 147 9.872 8.926 -4.546 1.00 4.45 H new ATOM 2232 N THR A 148 11.150 10.251 -6.323 1.00 32.03 N ATOM 2233 CA THR A 148 11.624 10.917 -7.523 1.00 60.34 C ATOM 2234 C THR A 148 11.398 10.048 -8.753 1.00 41.41 C ATOM 2235 O THR A 148 11.720 8.860 -8.751 1.00 53.51 O ATOM 2236 CB THR A 148 13.123 11.242 -7.411 1.00 1.53 C ATOM 2237 OG1 THR A 148 13.371 11.989 -6.210 1.00 31.30 O ATOM 2238 CG2 THR A 148 13.606 12.036 -8.616 1.00 11.14 C ATOM 0 H THR A 148 11.615 9.367 -6.119 1.00 32.03 H new ATOM 0 HA THR A 148 11.058 11.843 -7.627 1.00 60.34 H new ATOM 0 HB THR A 148 13.672 10.301 -7.379 1.00 1.53 H new ATOM 0 HG1 THR A 148 14.327 12.192 -6.143 1.00 31.30 H new ATOM 0 HG21 THR A 148 14.669 12.251 -8.508 1.00 11.14 H new ATOM 0 HG22 THR A 148 13.444 11.455 -9.524 1.00 11.14 H new ATOM 0 HG23 THR A 148 13.052 12.972 -8.681 1.00 11.14 H new ATOM 2246 N ILE A 149 10.836 10.644 -9.791 1.00 41.25 N ATOM 2247 CA ILE A 149 10.633 9.951 -11.052 1.00 53.20 C ATOM 2248 C ILE A 149 11.955 9.805 -11.793 1.00 25.44 C ATOM 2249 O ILE A 149 12.641 10.793 -12.067 1.00 3.23 O ATOM 2250 CB ILE A 149 9.632 10.699 -11.953 1.00 12.12 C ATOM 2251 CG1 ILE A 149 8.275 10.806 -11.258 1.00 74.31 C ATOM 2252 CG2 ILE A 149 9.500 9.994 -13.294 1.00 64.45 C ATOM 2253 CD1 ILE A 149 7.590 9.470 -11.057 1.00 51.42 C ATOM 0 H ILE A 149 10.511 11.611 -9.785 1.00 41.25 H new ATOM 0 HA ILE A 149 10.226 8.967 -10.821 1.00 53.20 H new ATOM 0 HB ILE A 149 10.005 11.707 -12.134 1.00 12.12 H new ATOM 0 HG12 ILE A 149 8.409 11.285 -10.288 1.00 74.31 H new ATOM 0 HG13 ILE A 149 7.625 11.453 -11.846 1.00 74.31 H new ATOM 0 HG21 ILE A 149 8.790 10.534 -13.920 1.00 64.45 H new ATOM 0 HG22 ILE A 149 10.471 9.967 -13.788 1.00 64.45 H new ATOM 0 HG23 ILE A 149 9.144 8.976 -13.136 1.00 64.45 H new ATOM 0 HD11 ILE A 149 6.633 9.623 -10.558 1.00 51.42 H new ATOM 0 HD12 ILE A 149 7.423 8.997 -12.025 1.00 51.42 H new ATOM 0 HD13 ILE A 149 8.220 8.827 -10.443 1.00 51.42 H new ATOM 2265 N ILE A 150 12.314 8.574 -12.104 1.00 64.04 N ATOM 2266 CA ILE A 150 13.542 8.289 -12.821 1.00 31.40 C ATOM 2267 C ILE A 150 13.215 7.676 -14.173 1.00 34.41 C ATOM 2268 O ILE A 150 12.379 6.779 -14.277 1.00 51.43 O ATOM 2269 CB ILE A 150 14.435 7.318 -12.025 1.00 63.15 C ATOM 2270 CG1 ILE A 150 14.643 7.836 -10.599 1.00 13.52 C ATOM 2271 CG2 ILE A 150 15.773 7.118 -12.724 1.00 51.13 C ATOM 2272 CD1 ILE A 150 15.413 6.881 -9.717 1.00 34.44 C ATOM 0 H ILE A 150 11.766 7.747 -11.868 1.00 64.04 H new ATOM 0 HA ILE A 150 14.082 9.226 -12.957 1.00 31.40 H new ATOM 0 HB ILE A 150 13.933 6.352 -11.974 1.00 63.15 H new ATOM 0 HG12 ILE A 150 15.173 8.788 -10.640 1.00 13.52 H new ATOM 0 HG13 ILE A 150 13.671 8.032 -10.147 1.00 13.52 H new ATOM 0 HG21 ILE A 150 16.387 6.429 -12.144 1.00 51.13 H new ATOM 0 HG22 ILE A 150 15.606 6.706 -13.719 1.00 51.13 H new ATOM 0 HG23 ILE A 150 16.285 8.076 -12.810 1.00 51.13 H new ATOM 0 HD11 ILE A 150 15.523 7.313 -8.722 1.00 34.44 H new ATOM 0 HD12 ILE A 150 14.873 5.937 -9.645 1.00 34.44 H new ATOM 0 HD13 ILE A 150 16.399 6.704 -10.146 1.00 34.44 H new