USER MOD reduce.3.24.130724 H: found=0, std=0, add=1149, rem=0, adj=36 USER MOD reduce.3.24.130724 removed 1147 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 81 ASN : amide:sc= -1.11! C(o=2.3!,f=-13!) USER MOD Set 1.2: A 110 TYR OH : rot 180:sc= 0.994 USER MOD Set 1.3: A 123 LYS NZ :NH3+ -166:sc= 2.41 (180deg=0) USER MOD Set 2.1: A 91 CYS SG : rot 180:sc= 0.392 USER MOD Set 2.2: A 93 SER OG : rot 94:sc= 0.497 USER MOD Set 3.1: A 6 CYS SG : rot 180:sc= -1.84 USER MOD Set 3.2: A 48 TYR OH : rot -149:sc= 0.325 USER MOD Set 3.3: A 78 SER OG : rot 75:sc= 2.04 USER MOD Set 4.1: A 14 THR OG1 : rot 171:sc= 0.142 USER MOD Set 4.2: A 18 CYS SG : rot -24:sc= 0.887 USER MOD Set 4.3: A 21 ASN : amide:sc= -1.05 K(o=0.42,f=-2!) USER MOD Set 4.4: A 25 ASN : amide:sc= 0.447 X(o=0.42,f=0.58) USER MOD Set 5.1: A 9 GLN : amide:sc= 0.987 K(o=2.2,f=-12!) USER MOD Set 5.2: A 11 LYS NZ :NH3+ -173:sc= 1.22 (180deg=0) USER MOD Single : A 1 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 1 MET N :NH3+ -140:sc= 0.0266 (180deg=-0.0486) USER MOD Single : A 4 GLN :FLIP amide:sc= -0.258 F(o=-1.3,f=-0.26) USER MOD Single : A 5 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 13 MET CE :methyl 171:sc= 0 (180deg=-0.123) USER MOD Single : A 15 CYS SG : rot 180:sc= 0 USER MOD Single : A 17 SER OG : rot 30:sc= 0.0102 USER MOD Single : A 20 SER OG : rot 180:sc= 0.0323 USER MOD Single : A 27 GLN : amide:sc=-0.00795 X(o=-0.0079,f=-0.19) USER MOD Single : A 28 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 34 SER OG : rot 180:sc= 0 USER MOD Single : A 40 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 43 LYS NZ :NH3+ 171:sc= 0 (180deg=-0.116) USER MOD Single : A 47 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 54 GLN : amide:sc= 0.259 K(o=0.26,f=-0.36) USER MOD Single : A 60 GLN : amide:sc= -0.365 X(o=-0.37,f=-0.17) USER MOD Single : A 63 GLN : amide:sc= 1.12 K(o=1.1,f=-0.3) USER MOD Single : A 72 MET CE :methyl 172:sc= 0 (180deg=-0.0264) USER MOD Single : A 75 TYR OH : rot 180:sc= 0 USER MOD Single : A 85 THR OG1 : rot 180:sc= 0 USER MOD Single : A 87 THR OG1 : rot 180:sc= 0 USER MOD Single : A 89 MET CE :methyl 169:sc= -0.704 (180deg=-1.32) USER MOD Single : A 90 THR OG1 : rot 180:sc=-0.00227 USER MOD Single : A 94 CYS SG : rot 180:sc= 0 USER MOD Single : A 96 HIS : no HD1:sc= -0.019 X(o=-0.019,f=0) USER MOD Single : A 97 ASN : amide:sc= -0.153 K(o=-0.15,f=-3.2!) USER MOD Single : A 100 SER OG : rot 180:sc= 0 USER MOD Single : A 101 LYS NZ :NH3+ -147:sc= -0.22 (180deg=-1.33) USER MOD Single : A 103 THR OG1 : rot 88:sc= 1.17 USER MOD Single : A 105 THR OG1 : rot 84:sc= 1.13 USER MOD Single : A 106 ASN : amide:sc= -0.011 K(o=-0.011,f=-6.2!) USER MOD Single : A 109 THR OG1 : rot 180:sc= 0 USER MOD Single : A 112 SER OG : rot 180:sc= 0 USER MOD Single : A 117 THR OG1 : rot 180:sc= -0.0486 USER MOD Single : A 118 SER OG : rot 180:sc= 0 USER MOD Single : A 119 LYS NZ :NH3+ -164:sc= 2.39 (180deg=2.22) USER MOD Single : A 136 LYS NZ :NH3+ 174:sc= 0 (180deg=-0.0269) USER MOD Single : A 144 HIS : no HD1:sc= 0 X(o=0,f=-0.15) USER MOD Single : A 146 SER OG : rot 180:sc= 0 USER MOD Single : A 149 GLN : amide:sc= 0 X(o=0,f=-0.26) USER MOD ----------------------------------------------------------------- ATOM 1 N MET A 1 -12.929 -12.767 6.337 1.00 7.00 N ATOM 2 CA MET A 1 -11.976 -12.707 5.218 1.00 6.98 C ATOM 3 C MET A 1 -10.739 -11.964 5.715 1.00 6.25 C ATOM 4 O MET A 1 -10.232 -12.351 6.763 1.00 6.82 O ATOM 5 CB MET A 1 -12.607 -12.103 3.957 1.00 7.25 C ATOM 6 CG MET A 1 -13.637 -13.039 3.314 1.00 8.24 C ATOM 7 SD MET A 1 -14.402 -12.338 1.833 1.00 8.10 S ATOM 8 CE MET A 1 -15.333 -13.768 1.245 1.00 9.64 C ATOM 0 H1 MET A 1 -13.387 -13.701 6.353 1.00 7.00 H new ATOM 0 H2 MET A 1 -12.423 -12.614 7.233 1.00 7.00 H new ATOM 0 H3 MET A 1 -13.652 -12.029 6.217 1.00 7.00 H new ATOM 0 HA MET A 1 -11.680 -13.708 4.903 1.00 6.98 H new ATOM 0 HB2 MET A 1 -13.087 -11.158 4.211 1.00 7.25 H new ATOM 0 HB3 MET A 1 -11.823 -11.878 3.234 1.00 7.25 H new ATOM 0 HG2 MET A 1 -13.152 -13.980 3.055 1.00 8.24 H new ATOM 0 HG3 MET A 1 -14.414 -13.271 4.043 1.00 8.24 H new ATOM 0 HE1 MET A 1 -15.867 -13.504 0.332 1.00 9.64 H new ATOM 0 HE2 MET A 1 -14.647 -14.590 1.040 1.00 9.64 H new ATOM 0 HE3 MET A 1 -16.049 -14.075 2.008 1.00 9.64 H new ATOM 20 N ALA A 2 -10.294 -10.905 5.033 1.00 5.17 N ATOM 21 CA ALA A 2 -9.047 -10.215 5.324 1.00 4.67 C ATOM 22 C ALA A 2 -9.270 -8.706 5.160 1.00 3.78 C ATOM 23 O ALA A 2 -9.228 -8.218 4.033 1.00 3.82 O ATOM 24 CB ALA A 2 -7.972 -10.735 4.364 1.00 5.06 C ATOM 0 H ALA A 2 -10.805 -10.500 4.249 1.00 5.17 H new ATOM 0 HA ALA A 2 -8.717 -10.401 6.346 1.00 4.67 H new ATOM 0 HB1 ALA A 2 -7.028 -10.229 4.566 1.00 5.06 H new ATOM 0 HB2 ALA A 2 -7.846 -11.808 4.506 1.00 5.06 H new ATOM 0 HB3 ALA A 2 -8.276 -10.538 3.336 1.00 5.06 H new ATOM 30 N PRO A 3 -9.515 -7.953 6.244 1.00 3.20 N ATOM 31 CA PRO A 3 -9.772 -6.525 6.155 1.00 2.64 C ATOM 32 C PRO A 3 -8.450 -5.792 5.918 1.00 2.29 C ATOM 33 O PRO A 3 -7.482 -6.018 6.646 1.00 2.46 O ATOM 34 CB PRO A 3 -10.397 -6.158 7.500 1.00 2.61 C ATOM 35 CG PRO A 3 -9.754 -7.148 8.476 1.00 2.97 C ATOM 36 CD PRO A 3 -9.567 -8.408 7.627 1.00 3.40 C ATOM 0 HA PRO A 3 -10.432 -6.250 5.333 1.00 2.64 H new ATOM 0 HB2 PRO A 3 -10.180 -5.126 7.775 1.00 2.61 H new ATOM 0 HB3 PRO A 3 -11.482 -6.262 7.480 1.00 2.61 H new ATOM 0 HG2 PRO A 3 -8.804 -6.776 8.859 1.00 2.97 H new ATOM 0 HG3 PRO A 3 -10.393 -7.335 9.339 1.00 2.97 H new ATOM 0 HD2 PRO A 3 -8.651 -8.931 7.901 1.00 3.40 H new ATOM 0 HD3 PRO A 3 -10.390 -9.106 7.778 1.00 3.40 H new ATOM 44 N GLN A 4 -8.399 -4.902 4.921 1.00 1.99 N ATOM 45 CA GLN A 4 -7.182 -4.176 4.587 1.00 1.74 C ATOM 46 C GLN A 4 -7.329 -2.725 5.026 1.00 1.64 C ATOM 47 O GLN A 4 -8.317 -2.057 4.735 1.00 1.67 O ATOM 48 CB GLN A 4 -6.850 -4.299 3.092 1.00 1.74 C ATOM 49 CG GLN A 4 -5.634 -5.197 2.810 1.00 2.25 C ATOM 50 CD GLN A 4 -5.633 -6.522 3.566 1.00 2.86 C ATOM 51 OE1 GLN A 4 -6.715 -7.281 3.491 1.00 3.85 O flip ATOM 52 NE2 GLN A 4 -4.655 -6.858 4.227 1.00 2.72 N flip ATOM 0 H GLN A 4 -9.197 -4.670 4.330 1.00 1.99 H new ATOM 0 HA GLN A 4 -6.340 -4.615 5.122 1.00 1.74 H new ATOM 0 HB2 GLN A 4 -7.717 -4.698 2.566 1.00 1.74 H new ATOM 0 HB3 GLN A 4 -6.661 -3.305 2.686 1.00 1.74 H new ATOM 0 HG2 GLN A 4 -5.592 -5.404 1.741 1.00 2.25 H new ATOM 0 HG3 GLN A 4 -4.727 -4.648 3.064 1.00 2.25 H new ATOM 0 HE21 GLN A 4 -3.834 -6.253 4.267 1.00 2.72 H new ATOM 0 HE22 GLN A 4 -4.663 -7.742 4.736 1.00 2.72 H new ATOM 61 N LYS A 5 -6.299 -2.244 5.714 1.00 1.66 N ATOM 62 CA LYS A 5 -6.196 -0.869 6.158 1.00 1.66 C ATOM 63 C LYS A 5 -5.393 -0.147 5.090 1.00 1.63 C ATOM 64 O LYS A 5 -4.582 -0.780 4.414 1.00 1.71 O ATOM 65 CB LYS A 5 -5.525 -0.816 7.535 1.00 1.77 C ATOM 66 CG LYS A 5 -4.020 -1.099 7.444 1.00 1.95 C ATOM 67 CD LYS A 5 -3.422 -1.612 8.763 1.00 2.34 C ATOM 68 CE LYS A 5 -2.660 -2.929 8.547 1.00 3.19 C ATOM 69 NZ LYS A 5 -3.573 -4.080 8.380 1.00 4.23 N ATOM 0 H LYS A 5 -5.498 -2.816 5.982 1.00 1.66 H new ATOM 0 HA LYS A 5 -7.169 -0.392 6.279 1.00 1.66 H new ATOM 0 HB2 LYS A 5 -5.684 0.166 7.980 1.00 1.77 H new ATOM 0 HB3 LYS A 5 -5.993 -1.545 8.196 1.00 1.77 H new ATOM 0 HG2 LYS A 5 -3.842 -1.836 6.661 1.00 1.95 H new ATOM 0 HG3 LYS A 5 -3.502 -0.187 7.148 1.00 1.95 H new ATOM 0 HD2 LYS A 5 -2.748 -0.862 9.177 1.00 2.34 H new ATOM 0 HD3 LYS A 5 -4.218 -1.763 9.493 1.00 2.34 H new ATOM 0 HE2 LYS A 5 -2.025 -2.840 7.665 1.00 3.19 H new ATOM 0 HE3 LYS A 5 -2.002 -3.110 9.397 1.00 3.19 H new ATOM 0 HZ1 LYS A 5 -3.016 -4.947 8.237 1.00 4.23 H new ATOM 0 HZ2 LYS A 5 -4.161 -4.183 9.231 1.00 4.23 H new ATOM 0 HZ3 LYS A 5 -4.184 -3.921 7.554 1.00 4.23 H new ATOM 83 N CYS A 6 -5.629 1.149 4.924 1.00 1.55 N ATOM 84 CA CYS A 6 -4.979 1.956 3.919 1.00 1.52 C ATOM 85 C CYS A 6 -4.291 3.109 4.608 1.00 1.44 C ATOM 86 O CYS A 6 -4.852 3.617 5.570 1.00 1.55 O ATOM 87 CB CYS A 6 -5.997 2.435 2.896 1.00 1.58 C ATOM 88 SG CYS A 6 -5.083 2.876 1.405 1.00 1.90 S ATOM 0 H CYS A 6 -6.291 1.671 5.499 1.00 1.55 H new ATOM 0 HA CYS A 6 -4.233 1.372 3.380 1.00 1.52 H new ATOM 0 HB2 CYS A 6 -6.727 1.654 2.684 1.00 1.58 H new ATOM 0 HB3 CYS A 6 -6.551 3.293 3.276 1.00 1.58 H new ATOM 0 HG CYS A 6 -5.913 3.292 0.494 1.00 1.90 H new ATOM 94 N PHE A 7 -3.099 3.500 4.157 1.00 1.36 N ATOM 95 CA PHE A 7 -2.295 4.521 4.811 1.00 1.34 C ATOM 96 C PHE A 7 -1.987 5.614 3.809 1.00 1.23 C ATOM 97 O PHE A 7 -1.082 5.458 2.990 1.00 1.31 O ATOM 98 CB PHE A 7 -1.008 3.898 5.355 1.00 1.56 C ATOM 99 CG PHE A 7 -1.230 3.120 6.639 1.00 1.95 C ATOM 100 CD1 PHE A 7 -1.518 3.808 7.832 1.00 2.52 C ATOM 101 CD2 PHE A 7 -1.131 1.718 6.658 1.00 3.15 C ATOM 102 CE1 PHE A 7 -1.651 3.101 9.039 1.00 2.86 C ATOM 103 CE2 PHE A 7 -1.117 1.032 7.882 1.00 3.55 C ATOM 104 CZ PHE A 7 -1.410 1.717 9.074 1.00 2.91 C ATOM 0 H PHE A 7 -2.665 3.111 3.320 1.00 1.36 H new ATOM 0 HA PHE A 7 -2.841 4.951 5.650 1.00 1.34 H new ATOM 0 HB2 PHE A 7 -0.584 3.234 4.602 1.00 1.56 H new ATOM 0 HB3 PHE A 7 -0.276 4.685 5.534 1.00 1.56 H new ATOM 0 HD1 PHE A 7 -1.637 4.881 7.820 1.00 2.52 H new ATOM 0 HD2 PHE A 7 -1.066 1.169 5.730 1.00 3.15 H new ATOM 0 HE1 PHE A 7 -1.939 3.622 9.940 1.00 2.86 H new ATOM 0 HE2 PHE A 7 -0.881 -0.022 7.908 1.00 3.55 H new ATOM 0 HZ PHE A 7 -1.450 1.183 10.012 1.00 2.91 H new ATOM 114 N LEU A 8 -2.728 6.721 3.880 1.00 1.10 N ATOM 115 CA LEU A 8 -2.512 7.871 3.032 1.00 1.04 C ATOM 116 C LEU A 8 -2.316 9.131 3.870 1.00 1.04 C ATOM 117 O LEU A 8 -2.542 9.160 5.077 1.00 1.07 O ATOM 118 CB LEU A 8 -3.635 8.069 2.001 1.00 1.02 C ATOM 119 CG LEU A 8 -4.469 6.876 1.484 1.00 1.51 C ATOM 120 CD1 LEU A 8 -3.642 5.915 0.623 1.00 3.03 C ATOM 121 CD2 LEU A 8 -5.324 6.155 2.534 1.00 2.18 C ATOM 0 H LEU A 8 -3.500 6.835 4.537 1.00 1.10 H new ATOM 0 HA LEU A 8 -1.600 7.678 2.467 1.00 1.04 H new ATOM 0 HB2 LEU A 8 -4.336 8.785 2.429 1.00 1.02 H new ATOM 0 HB3 LEU A 8 -3.186 8.544 1.129 1.00 1.02 H new ATOM 0 HG LEU A 8 -5.212 7.338 0.834 1.00 1.51 H new ATOM 0 HD11 LEU A 8 -4.274 5.094 0.285 1.00 3.03 H new ATOM 0 HD12 LEU A 8 -3.247 6.449 -0.241 1.00 3.03 H new ATOM 0 HD13 LEU A 8 -2.816 5.518 1.213 1.00 3.03 H new ATOM 0 HD21 LEU A 8 -5.866 5.336 2.062 1.00 2.18 H new ATOM 0 HD22 LEU A 8 -4.679 5.759 3.318 1.00 2.18 H new ATOM 0 HD23 LEU A 8 -6.035 6.857 2.969 1.00 2.18 H new ATOM 133 N GLN A 9 -1.868 10.189 3.210 1.00 1.05 N ATOM 134 CA GLN A 9 -1.819 11.532 3.738 1.00 1.03 C ATOM 135 C GLN A 9 -2.727 12.376 2.864 1.00 0.99 C ATOM 136 O GLN A 9 -2.847 12.111 1.664 1.00 1.04 O ATOM 137 CB GLN A 9 -0.376 12.063 3.813 1.00 1.06 C ATOM 138 CG GLN A 9 0.651 11.550 2.792 1.00 1.57 C ATOM 139 CD GLN A 9 0.746 12.428 1.541 1.00 1.22 C ATOM 140 OE1 GLN A 9 1.761 13.059 1.249 1.00 1.70 O ATOM 141 NE2 GLN A 9 -0.331 12.505 0.774 1.00 1.29 N ATOM 0 H GLN A 9 -1.516 10.126 2.255 1.00 1.05 H new ATOM 0 HA GLN A 9 -2.171 11.565 4.769 1.00 1.03 H new ATOM 0 HB2 GLN A 9 -0.418 13.149 3.723 1.00 1.06 H new ATOM 0 HB3 GLN A 9 0.007 11.840 4.809 1.00 1.06 H new ATOM 0 HG2 GLN A 9 1.631 11.497 3.267 1.00 1.57 H new ATOM 0 HG3 GLN A 9 0.385 10.535 2.497 1.00 1.57 H new ATOM 0 HE21 GLN A 9 -1.171 11.980 1.020 1.00 1.29 H new ATOM 0 HE22 GLN A 9 -0.321 13.089 -0.062 1.00 1.29 H new ATOM 150 N ILE A 10 -3.377 13.360 3.476 1.00 0.97 N ATOM 151 CA ILE A 10 -4.221 14.317 2.809 1.00 0.97 C ATOM 152 C ILE A 10 -3.436 15.612 2.681 1.00 0.99 C ATOM 153 O ILE A 10 -2.881 16.092 3.668 1.00 1.06 O ATOM 154 CB ILE A 10 -5.488 14.520 3.646 1.00 1.06 C ATOM 155 CG1 ILE A 10 -6.280 13.217 3.804 1.00 1.06 C ATOM 156 CG2 ILE A 10 -6.345 15.624 3.036 1.00 1.12 C ATOM 157 CD1 ILE A 10 -6.566 12.493 2.485 1.00 1.00 C ATOM 0 H ILE A 10 -3.322 13.509 4.484 1.00 0.97 H new ATOM 0 HA ILE A 10 -4.516 13.974 1.817 1.00 0.97 H new ATOM 0 HB ILE A 10 -5.189 14.827 4.648 1.00 1.06 H new ATOM 0 HG12 ILE A 10 -5.727 12.546 4.461 1.00 1.06 H new ATOM 0 HG13 ILE A 10 -7.227 13.438 4.297 1.00 1.06 H new ATOM 0 HG21 ILE A 10 -7.244 15.761 3.638 1.00 1.12 H new ATOM 0 HG22 ILE A 10 -5.778 16.554 3.013 1.00 1.12 H new ATOM 0 HG23 ILE A 10 -6.627 15.346 2.020 1.00 1.12 H new ATOM 0 HD11 ILE A 10 -7.130 11.582 2.685 1.00 1.00 H new ATOM 0 HD12 ILE A 10 -7.148 13.143 1.832 1.00 1.00 H new ATOM 0 HD13 ILE A 10 -5.625 12.238 1.998 1.00 1.00 H new ATOM 169 N LYS A 11 -3.407 16.179 1.477 1.00 0.99 N ATOM 170 CA LYS A 11 -2.929 17.526 1.235 1.00 1.01 C ATOM 171 C LYS A 11 -4.113 18.311 0.658 1.00 0.99 C ATOM 172 O LYS A 11 -4.683 17.922 -0.362 1.00 1.26 O ATOM 173 CB LYS A 11 -1.678 17.464 0.343 1.00 1.23 C ATOM 174 CG LYS A 11 -0.491 16.948 1.176 1.00 1.52 C ATOM 175 CD LYS A 11 0.796 16.735 0.366 1.00 1.88 C ATOM 176 CE LYS A 11 0.633 15.648 -0.710 1.00 2.37 C ATOM 177 NZ LYS A 11 1.842 14.803 -0.837 1.00 3.25 N ATOM 0 H LYS A 11 -3.722 15.702 0.632 1.00 0.99 H new ATOM 0 HA LYS A 11 -2.601 18.047 2.134 1.00 1.01 H new ATOM 0 HB2 LYS A 11 -1.855 16.806 -0.508 1.00 1.23 H new ATOM 0 HB3 LYS A 11 -1.454 18.452 -0.060 1.00 1.23 H new ATOM 0 HG2 LYS A 11 -0.289 17.657 1.979 1.00 1.52 H new ATOM 0 HG3 LYS A 11 -0.773 16.005 1.645 1.00 1.52 H new ATOM 0 HD2 LYS A 11 1.084 17.673 -0.109 1.00 1.88 H new ATOM 0 HD3 LYS A 11 1.606 16.457 1.041 1.00 1.88 H new ATOM 0 HE2 LYS A 11 -0.223 15.020 -0.463 1.00 2.37 H new ATOM 0 HE3 LYS A 11 0.418 16.118 -1.670 1.00 2.37 H new ATOM 0 HZ1 LYS A 11 1.735 14.163 -1.650 1.00 3.25 H new ATOM 0 HZ2 LYS A 11 2.675 15.409 -0.981 1.00 3.25 H new ATOM 0 HZ3 LYS A 11 1.967 14.243 0.030 1.00 3.25 H new ATOM 191 N GLY A 12 -4.539 19.352 1.383 1.00 0.85 N ATOM 192 CA GLY A 12 -5.708 20.163 1.077 1.00 0.98 C ATOM 193 C GLY A 12 -6.142 20.914 2.339 1.00 0.91 C ATOM 194 O GLY A 12 -5.529 21.915 2.693 1.00 1.12 O ATOM 0 H GLY A 12 -4.057 19.658 2.228 1.00 0.85 H new ATOM 0 HA2 GLY A 12 -5.477 20.870 0.280 1.00 0.98 H new ATOM 0 HA3 GLY A 12 -6.520 19.531 0.718 1.00 0.98 H new ATOM 198 N MET A 13 -7.168 20.401 3.029 1.00 0.91 N ATOM 199 CA MET A 13 -7.706 20.917 4.288 1.00 1.00 C ATOM 200 C MET A 13 -8.189 22.369 4.191 1.00 1.21 C ATOM 201 O MET A 13 -7.559 23.273 4.733 1.00 1.32 O ATOM 202 CB MET A 13 -6.707 20.754 5.445 1.00 1.17 C ATOM 203 CG MET A 13 -6.399 19.295 5.798 1.00 1.38 C ATOM 204 SD MET A 13 -4.665 18.821 5.595 1.00 1.67 S ATOM 205 CE MET A 13 -4.694 17.250 6.481 1.00 1.37 C ATOM 0 H MET A 13 -7.669 19.573 2.706 1.00 0.91 H new ATOM 0 HA MET A 13 -8.584 20.307 4.502 1.00 1.00 H new ATOM 0 HB2 MET A 13 -5.777 21.258 5.183 1.00 1.17 H new ATOM 0 HB3 MET A 13 -7.104 21.255 6.328 1.00 1.17 H new ATOM 0 HG2 MET A 13 -6.692 19.115 6.832 1.00 1.38 H new ATOM 0 HG3 MET A 13 -7.015 18.646 5.175 1.00 1.38 H new ATOM 0 HE1 MET A 13 -3.749 16.729 6.328 1.00 1.37 H new ATOM 0 HE2 MET A 13 -4.838 17.435 7.545 1.00 1.37 H new ATOM 0 HE3 MET A 13 -5.512 16.636 6.105 1.00 1.37 H new ATOM 215 N THR A 14 -9.359 22.585 3.582 1.00 1.45 N ATOM 216 CA THR A 14 -9.987 23.890 3.474 1.00 1.80 C ATOM 217 C THR A 14 -10.044 24.631 4.813 1.00 1.75 C ATOM 218 O THR A 14 -9.534 25.745 4.895 1.00 1.95 O ATOM 219 CB THR A 14 -11.385 23.727 2.864 1.00 2.12 C ATOM 220 OG1 THR A 14 -11.346 22.668 1.922 1.00 2.43 O ATOM 221 CG2 THR A 14 -11.862 25.021 2.199 1.00 2.59 C ATOM 0 H THR A 14 -9.900 21.839 3.145 1.00 1.45 H new ATOM 0 HA THR A 14 -9.374 24.509 2.819 1.00 1.80 H new ATOM 0 HB THR A 14 -12.095 23.495 3.658 1.00 2.12 H new ATOM 0 HG1 THR A 14 -12.257 22.455 1.631 1.00 2.43 H new ATOM 0 HG21 THR A 14 -12.856 24.869 1.778 1.00 2.59 H new ATOM 0 HG22 THR A 14 -11.901 25.819 2.941 1.00 2.59 H new ATOM 0 HG23 THR A 14 -11.170 25.298 1.404 1.00 2.59 H new ATOM 229 N CYS A 15 -10.687 24.062 5.850 1.00 1.78 N ATOM 230 CA CYS A 15 -10.830 24.812 7.102 1.00 2.11 C ATOM 231 C CYS A 15 -11.328 23.914 8.236 1.00 1.50 C ATOM 232 O CYS A 15 -12.332 24.202 8.878 1.00 2.06 O ATOM 233 CB CYS A 15 -11.727 26.056 6.900 1.00 3.23 C ATOM 234 SG CYS A 15 -11.003 27.449 7.800 1.00 4.14 S ATOM 0 H CYS A 15 -11.097 23.128 5.847 1.00 1.78 H new ATOM 0 HA CYS A 15 -9.844 25.171 7.399 1.00 2.11 H new ATOM 0 HB2 CYS A 15 -11.809 26.294 5.839 1.00 3.23 H new ATOM 0 HB3 CYS A 15 -12.736 25.857 7.261 1.00 3.23 H new ATOM 0 HG CYS A 15 -11.746 28.504 7.638 1.00 4.14 H new ATOM 240 N ALA A 16 -10.641 22.785 8.455 1.00 2.01 N ATOM 241 CA ALA A 16 -10.979 21.810 9.494 1.00 3.17 C ATOM 242 C ALA A 16 -12.467 21.421 9.471 1.00 2.57 C ATOM 243 O ALA A 16 -13.096 21.276 10.514 1.00 2.56 O ATOM 244 CB ALA A 16 -10.546 22.345 10.865 1.00 4.52 C ATOM 0 H ALA A 16 -9.823 22.522 7.906 1.00 2.01 H new ATOM 0 HA ALA A 16 -10.431 20.890 9.290 1.00 3.17 H new ATOM 0 HB1 ALA A 16 -10.799 21.617 11.636 1.00 4.52 H new ATOM 0 HB2 ALA A 16 -9.469 22.515 10.866 1.00 4.52 H new ATOM 0 HB3 ALA A 16 -11.062 23.283 11.069 1.00 4.52 H new ATOM 250 N SER A 17 -13.006 21.241 8.260 1.00 2.16 N ATOM 251 CA SER A 17 -14.420 20.974 8.016 1.00 1.64 C ATOM 252 C SER A 17 -14.608 20.165 6.734 1.00 1.38 C ATOM 253 O SER A 17 -15.403 19.232 6.700 1.00 1.33 O ATOM 254 CB SER A 17 -15.216 22.286 7.946 1.00 2.06 C ATOM 255 OG SER A 17 -15.718 22.637 9.218 1.00 2.01 O ATOM 0 H SER A 17 -12.453 21.279 7.404 1.00 2.16 H new ATOM 0 HA SER A 17 -14.801 20.384 8.850 1.00 1.64 H new ATOM 0 HB2 SER A 17 -14.577 23.085 7.569 1.00 2.06 H new ATOM 0 HB3 SER A 17 -16.041 22.179 7.242 1.00 2.06 H new ATOM 0 HG SER A 17 -15.110 22.306 9.912 1.00 2.01 H new ATOM 261 N CYS A 18 -13.895 20.503 5.655 1.00 1.30 N ATOM 262 CA CYS A 18 -14.099 19.794 4.395 1.00 1.22 C ATOM 263 C CYS A 18 -13.711 18.328 4.577 1.00 1.04 C ATOM 264 O CYS A 18 -14.481 17.432 4.250 1.00 0.99 O ATOM 265 CB CYS A 18 -13.301 20.437 3.261 1.00 1.35 C ATOM 266 SG CYS A 18 -14.310 20.584 1.771 1.00 2.01 S ATOM 0 H CYS A 18 -13.192 21.242 5.629 1.00 1.30 H new ATOM 0 HA CYS A 18 -15.152 19.856 4.119 1.00 1.22 H new ATOM 0 HB2 CYS A 18 -12.953 21.423 3.569 1.00 1.35 H new ATOM 0 HB3 CYS A 18 -12.415 19.838 3.048 1.00 1.35 H new ATOM 0 HG CYS A 18 -15.262 19.699 1.803 1.00 2.01 H new ATOM 272 N VAL A 19 -12.549 18.072 5.187 1.00 1.03 N ATOM 273 CA VAL A 19 -12.132 16.714 5.517 1.00 0.99 C ATOM 274 C VAL A 19 -13.212 16.024 6.363 1.00 0.95 C ATOM 275 O VAL A 19 -13.519 14.843 6.192 1.00 0.94 O ATOM 276 CB VAL A 19 -10.736 16.747 6.172 1.00 1.11 C ATOM 277 CG1 VAL A 19 -10.742 16.771 7.705 1.00 1.79 C ATOM 278 CG2 VAL A 19 -9.892 15.569 5.673 1.00 2.25 C ATOM 0 H VAL A 19 -11.882 18.793 5.461 1.00 1.03 H new ATOM 0 HA VAL A 19 -12.031 16.109 4.616 1.00 0.99 H new ATOM 0 HB VAL A 19 -10.297 17.696 5.866 1.00 1.11 H new ATOM 0 HG11 VAL A 19 -9.716 16.793 8.073 1.00 1.79 H new ATOM 0 HG12 VAL A 19 -11.272 17.658 8.053 1.00 1.79 H new ATOM 0 HG13 VAL A 19 -11.243 15.879 8.081 1.00 1.79 H new ATOM 0 HG21 VAL A 19 -8.908 15.602 6.142 1.00 2.25 H new ATOM 0 HG22 VAL A 19 -10.386 14.632 5.931 1.00 2.25 H new ATOM 0 HG23 VAL A 19 -9.781 15.634 4.591 1.00 2.25 H new ATOM 288 N SER A 20 -13.843 16.798 7.247 1.00 1.03 N ATOM 289 CA SER A 20 -14.967 16.305 8.038 1.00 1.13 C ATOM 290 C SER A 20 -16.192 15.975 7.170 1.00 1.09 C ATOM 291 O SER A 20 -16.966 15.087 7.502 1.00 1.24 O ATOM 292 CB SER A 20 -15.315 17.321 9.123 1.00 1.31 C ATOM 293 OG SER A 20 -14.129 17.944 9.588 1.00 1.90 O ATOM 0 H SER A 20 -13.593 17.769 7.432 1.00 1.03 H new ATOM 0 HA SER A 20 -14.664 15.369 8.508 1.00 1.13 H new ATOM 0 HB2 SER A 20 -16.001 18.070 8.727 1.00 1.31 H new ATOM 0 HB3 SER A 20 -15.826 16.826 9.949 1.00 1.31 H new ATOM 0 HG SER A 20 -14.354 18.597 10.283 1.00 1.90 H new ATOM 299 N ASN A 21 -16.397 16.683 6.058 1.00 1.04 N ATOM 300 CA ASN A 21 -17.435 16.339 5.089 1.00 1.05 C ATOM 301 C ASN A 21 -17.049 15.061 4.331 1.00 0.94 C ATOM 302 O ASN A 21 -17.905 14.228 4.014 1.00 1.04 O ATOM 303 CB ASN A 21 -17.763 17.546 4.184 1.00 1.16 C ATOM 304 CG ASN A 21 -17.208 17.481 2.759 1.00 1.53 C ATOM 305 OD1 ASN A 21 -16.385 18.295 2.357 1.00 3.09 O ATOM 306 ND2 ASN A 21 -17.692 16.543 1.955 1.00 1.35 N ATOM 0 H ASN A 21 -15.851 17.507 5.806 1.00 1.04 H new ATOM 0 HA ASN A 21 -18.366 16.109 5.607 1.00 1.05 H new ATOM 0 HB2 ASN A 21 -18.847 17.649 4.127 1.00 1.16 H new ATOM 0 HB3 ASN A 21 -17.381 18.448 4.662 1.00 1.16 H new ATOM 0 HD21 ASN A 21 -17.379 16.491 0.985 1.00 1.35 H new ATOM 0 HD22 ASN A 21 -18.377 15.873 2.307 1.00 1.35 H new ATOM 313 N ILE A 22 -15.758 14.923 4.019 1.00 0.87 N ATOM 314 CA ILE A 22 -15.203 13.776 3.315 1.00 0.93 C ATOM 315 C ILE A 22 -15.457 12.487 4.114 1.00 0.94 C ATOM 316 O ILE A 22 -15.823 11.469 3.524 1.00 0.94 O ATOM 317 CB ILE A 22 -13.722 14.047 2.966 1.00 1.06 C ATOM 318 CG1 ILE A 22 -13.653 15.159 1.902 1.00 1.12 C ATOM 319 CG2 ILE A 22 -13.003 12.784 2.483 1.00 1.45 C ATOM 320 CD1 ILE A 22 -12.235 15.523 1.444 1.00 1.58 C ATOM 0 H ILE A 22 -15.057 15.625 4.257 1.00 0.87 H new ATOM 0 HA ILE A 22 -15.708 13.623 2.361 1.00 0.93 H new ATOM 0 HB ILE A 22 -13.207 14.370 3.871 1.00 1.06 H new ATOM 0 HG12 ILE A 22 -14.232 14.847 1.033 1.00 1.12 H new ATOM 0 HG13 ILE A 22 -14.132 16.054 2.300 1.00 1.12 H new ATOM 0 HG21 ILE A 22 -11.965 13.023 2.249 1.00 1.45 H new ATOM 0 HG22 ILE A 22 -13.034 12.026 3.266 1.00 1.45 H new ATOM 0 HG23 ILE A 22 -13.498 12.403 1.589 1.00 1.45 H new ATOM 0 HD11 ILE A 22 -12.286 16.314 0.695 1.00 1.58 H new ATOM 0 HD12 ILE A 22 -11.654 15.870 2.299 1.00 1.58 H new ATOM 0 HD13 ILE A 22 -11.756 14.645 1.012 1.00 1.58 H new ATOM 332 N GLU A 23 -15.325 12.536 5.446 1.00 1.04 N ATOM 333 CA GLU A 23 -15.699 11.442 6.341 1.00 1.27 C ATOM 334 C GLU A 23 -17.042 10.809 5.949 1.00 1.18 C ATOM 335 O GLU A 23 -17.121 9.608 5.675 1.00 1.15 O ATOM 336 CB GLU A 23 -15.712 11.968 7.789 1.00 1.69 C ATOM 337 CG GLU A 23 -16.298 10.983 8.808 1.00 3.21 C ATOM 338 CD GLU A 23 -17.778 11.206 9.115 1.00 4.62 C ATOM 339 OE1 GLU A 23 -18.102 12.268 9.690 1.00 5.19 O ATOM 340 OE2 GLU A 23 -18.570 10.307 8.760 1.00 5.73 O ATOM 0 H GLU A 23 -14.950 13.349 5.935 1.00 1.04 H new ATOM 0 HA GLU A 23 -14.961 10.645 6.256 1.00 1.27 H new ATOM 0 HB2 GLU A 23 -14.692 12.215 8.084 1.00 1.69 H new ATOM 0 HB3 GLU A 23 -16.286 12.894 7.823 1.00 1.69 H new ATOM 0 HG2 GLU A 23 -16.165 9.968 8.433 1.00 3.21 H new ATOM 0 HG3 GLU A 23 -15.731 11.057 9.736 1.00 3.21 H new ATOM 347 N ARG A 24 -18.096 11.624 5.919 1.00 1.21 N ATOM 348 CA ARG A 24 -19.456 11.143 5.722 1.00 1.26 C ATOM 349 C ARG A 24 -19.611 10.571 4.324 1.00 1.12 C ATOM 350 O ARG A 24 -20.269 9.551 4.128 1.00 1.16 O ATOM 351 CB ARG A 24 -20.461 12.272 5.955 1.00 1.45 C ATOM 352 CG ARG A 24 -20.457 12.644 7.436 1.00 1.54 C ATOM 353 CD ARG A 24 -21.478 13.737 7.741 1.00 2.46 C ATOM 354 NE ARG A 24 -21.494 13.998 9.187 1.00 2.97 N ATOM 355 CZ ARG A 24 -22.234 14.942 9.786 1.00 4.06 C ATOM 356 NH1 ARG A 24 -22.975 15.772 9.041 1.00 4.88 N ATOM 357 NH2 ARG A 24 -22.234 15.048 11.118 1.00 4.84 N ATOM 0 H ARG A 24 -18.027 12.636 6.031 1.00 1.21 H new ATOM 0 HA ARG A 24 -19.656 10.352 6.445 1.00 1.26 H new ATOM 0 HB2 ARG A 24 -20.200 13.139 5.348 1.00 1.45 H new ATOM 0 HB3 ARG A 24 -21.459 11.957 5.649 1.00 1.45 H new ATOM 0 HG2 ARG A 24 -20.678 11.760 8.035 1.00 1.54 H new ATOM 0 HG3 ARG A 24 -19.462 12.983 7.724 1.00 1.54 H new ATOM 0 HD2 ARG A 24 -21.225 14.648 7.198 1.00 2.46 H new ATOM 0 HD3 ARG A 24 -22.468 13.430 7.404 1.00 2.46 H new ATOM 0 HE ARG A 24 -20.898 13.418 9.778 1.00 2.97 H new ATOM 0 HH11 ARG A 24 -22.974 15.684 8.025 1.00 4.88 H new ATOM 0 HH12 ARG A 24 -23.541 16.493 9.490 1.00 4.88 H new ATOM 0 HH21 ARG A 24 -21.671 14.410 11.680 1.00 4.84 H new ATOM 0 HH22 ARG A 24 -22.797 15.767 11.572 1.00 4.84 H new ATOM 371 N ASN A 25 -18.995 11.249 3.354 1.00 1.03 N ATOM 372 CA ASN A 25 -18.961 10.782 1.982 1.00 0.97 C ATOM 373 C ASN A 25 -18.402 9.362 1.947 1.00 0.99 C ATOM 374 O ASN A 25 -19.073 8.445 1.482 1.00 1.03 O ATOM 375 CB ASN A 25 -18.141 11.743 1.114 1.00 0.95 C ATOM 376 CG ASN A 25 -18.974 12.932 0.655 1.00 1.15 C ATOM 377 OD1 ASN A 25 -19.390 12.996 -0.495 1.00 1.47 O ATOM 378 ND2 ASN A 25 -19.244 13.882 1.547 1.00 1.16 N ATOM 0 H ASN A 25 -18.510 12.133 3.505 1.00 1.03 H new ATOM 0 HA ASN A 25 -19.970 10.760 1.571 1.00 0.97 H new ATOM 0 HB2 ASN A 25 -17.279 12.098 1.678 1.00 0.95 H new ATOM 0 HB3 ASN A 25 -17.756 11.210 0.245 1.00 0.95 H new ATOM 0 HD21 ASN A 25 -19.810 14.687 1.279 1.00 1.16 H new ATOM 0 HD22 ASN A 25 -18.885 13.805 2.499 1.00 1.16 H new ATOM 385 N LEU A 26 -17.196 9.159 2.478 1.00 1.02 N ATOM 386 CA LEU A 26 -16.549 7.855 2.429 1.00 1.12 C ATOM 387 C LEU A 26 -17.278 6.789 3.239 1.00 1.12 C ATOM 388 O LEU A 26 -17.385 5.653 2.781 1.00 1.19 O ATOM 389 CB LEU A 26 -15.075 7.981 2.797 1.00 1.11 C ATOM 390 CG LEU A 26 -14.302 8.344 1.522 1.00 1.31 C ATOM 391 CD1 LEU A 26 -13.114 9.208 1.897 1.00 1.53 C ATOM 392 CD2 LEU A 26 -13.827 7.087 0.786 1.00 2.53 C ATOM 0 H LEU A 26 -16.651 9.883 2.946 1.00 1.02 H new ATOM 0 HA LEU A 26 -16.606 7.499 1.400 1.00 1.12 H new ATOM 0 HB2 LEU A 26 -14.936 8.748 3.559 1.00 1.11 H new ATOM 0 HB3 LEU A 26 -14.704 7.045 3.215 1.00 1.11 H new ATOM 0 HG LEU A 26 -14.964 8.891 0.851 1.00 1.31 H new ATOM 0 HD11 LEU A 26 -12.558 9.472 0.998 1.00 1.53 H new ATOM 0 HD12 LEU A 26 -13.465 10.117 2.386 1.00 1.53 H new ATOM 0 HD13 LEU A 26 -12.464 8.658 2.577 1.00 1.53 H new ATOM 0 HD21 LEU A 26 -13.283 7.376 -0.113 1.00 2.53 H new ATOM 0 HD22 LEU A 26 -13.171 6.510 1.438 1.00 2.53 H new ATOM 0 HD23 LEU A 26 -14.689 6.480 0.509 1.00 2.53 H new ATOM 404 N GLN A 27 -17.857 7.152 4.387 1.00 1.12 N ATOM 405 CA GLN A 27 -18.775 6.279 5.113 1.00 1.26 C ATOM 406 C GLN A 27 -19.898 5.753 4.220 1.00 1.19 C ATOM 407 O GLN A 27 -20.508 4.740 4.556 1.00 1.33 O ATOM 408 CB GLN A 27 -19.351 7.014 6.338 1.00 1.39 C ATOM 409 CG GLN A 27 -18.788 6.491 7.666 1.00 1.35 C ATOM 410 CD GLN A 27 -17.276 6.302 7.641 1.00 1.52 C ATOM 411 OE1 GLN A 27 -16.759 5.268 8.057 1.00 2.81 O ATOM 412 NE2 GLN A 27 -16.554 7.277 7.109 1.00 1.55 N ATOM 0 H GLN A 27 -17.702 8.055 4.835 1.00 1.12 H new ATOM 0 HA GLN A 27 -18.206 5.413 5.452 1.00 1.26 H new ATOM 0 HB2 GLN A 27 -19.135 8.079 6.252 1.00 1.39 H new ATOM 0 HB3 GLN A 27 -20.436 6.908 6.342 1.00 1.39 H new ATOM 0 HG2 GLN A 27 -19.048 7.187 8.463 1.00 1.35 H new ATOM 0 HG3 GLN A 27 -19.263 5.540 7.906 1.00 1.35 H new ATOM 0 HE21 GLN A 27 -17.011 8.124 6.772 1.00 1.55 H new ATOM 0 HE22 GLN A 27 -15.541 7.180 7.036 1.00 1.55 H new ATOM 421 N LYS A 28 -20.196 6.435 3.108 1.00 1.05 N ATOM 422 CA LYS A 28 -21.164 5.973 2.128 1.00 1.02 C ATOM 423 C LYS A 28 -20.564 5.862 0.720 1.00 0.95 C ATOM 424 O LYS A 28 -21.301 6.000 -0.254 1.00 0.96 O ATOM 425 CB LYS A 28 -22.411 6.867 2.185 1.00 1.18 C ATOM 426 CG LYS A 28 -22.916 6.969 3.633 1.00 1.27 C ATOM 427 CD LYS A 28 -24.428 7.219 3.683 1.00 1.50 C ATOM 428 CE LYS A 28 -24.917 7.142 5.137 1.00 2.60 C ATOM 429 NZ LYS A 28 -26.389 7.217 5.235 1.00 3.53 N ATOM 0 H LYS A 28 -19.765 7.328 2.869 1.00 1.05 H new ATOM 0 HA LYS A 28 -21.465 4.956 2.381 1.00 1.02 H new ATOM 0 HB2 LYS A 28 -22.175 7.860 1.802 1.00 1.18 H new ATOM 0 HB3 LYS A 28 -23.193 6.457 1.546 1.00 1.18 H new ATOM 0 HG2 LYS A 28 -22.680 6.049 4.168 1.00 1.27 H new ATOM 0 HG3 LYS A 28 -22.395 7.778 4.145 1.00 1.27 H new ATOM 0 HD2 LYS A 28 -24.659 8.198 3.263 1.00 1.50 H new ATOM 0 HD3 LYS A 28 -24.949 6.480 3.074 1.00 1.50 H new ATOM 0 HE2 LYS A 28 -24.572 6.211 5.586 1.00 2.60 H new ATOM 0 HE3 LYS A 28 -24.474 7.956 5.711 1.00 2.60 H new ATOM 0 HZ1 LYS A 28 -26.674 7.161 6.234 1.00 3.53 H new ATOM 0 HZ2 LYS A 28 -26.718 8.117 4.831 1.00 3.53 H new ATOM 0 HZ3 LYS A 28 -26.813 6.426 4.710 1.00 3.53 H new ATOM 443 N GLU A 29 -19.263 5.561 0.599 1.00 0.98 N ATOM 444 CA GLU A 29 -18.683 5.170 -0.681 1.00 1.04 C ATOM 445 C GLU A 29 -19.135 3.742 -1.031 1.00 1.11 C ATOM 446 O GLU A 29 -20.050 3.564 -1.833 1.00 1.25 O ATOM 447 CB GLU A 29 -17.158 5.328 -0.622 1.00 1.10 C ATOM 448 CG GLU A 29 -16.453 4.981 -1.940 1.00 1.53 C ATOM 449 CD GLU A 29 -15.096 4.357 -1.665 1.00 2.17 C ATOM 450 OE1 GLU A 29 -15.115 3.192 -1.215 1.00 3.54 O ATOM 451 OE2 GLU A 29 -14.081 5.056 -1.868 1.00 2.36 O ATOM 0 H GLU A 29 -18.599 5.583 1.373 1.00 0.98 H new ATOM 0 HA GLU A 29 -19.035 5.819 -1.483 1.00 1.04 H new ATOM 0 HB2 GLU A 29 -16.918 6.356 -0.351 1.00 1.10 H new ATOM 0 HB3 GLU A 29 -16.765 4.690 0.169 1.00 1.10 H new ATOM 0 HG2 GLU A 29 -17.068 4.291 -2.518 1.00 1.53 H new ATOM 0 HG3 GLU A 29 -16.331 5.881 -2.543 1.00 1.53 H new ATOM 458 N ALA A 30 -18.494 2.721 -0.446 1.00 1.07 N ATOM 459 CA ALA A 30 -18.756 1.319 -0.759 1.00 1.18 C ATOM 460 C ALA A 30 -18.231 0.411 0.363 1.00 1.18 C ATOM 461 O ALA A 30 -18.746 0.470 1.475 1.00 1.25 O ATOM 462 CB ALA A 30 -18.177 0.988 -2.142 1.00 1.28 C ATOM 0 H ALA A 30 -17.773 2.852 0.264 1.00 1.07 H new ATOM 0 HA ALA A 30 -19.829 1.136 -0.812 1.00 1.18 H new ATOM 0 HB1 ALA A 30 -18.372 -0.058 -2.377 1.00 1.28 H new ATOM 0 HB2 ALA A 30 -18.646 1.622 -2.894 1.00 1.28 H new ATOM 0 HB3 ALA A 30 -17.101 1.165 -2.138 1.00 1.28 H new ATOM 468 N GLY A 31 -17.218 -0.429 0.106 1.00 1.20 N ATOM 469 CA GLY A 31 -16.660 -1.343 1.095 1.00 1.25 C ATOM 470 C GLY A 31 -15.850 -0.629 2.178 1.00 1.19 C ATOM 471 O GLY A 31 -15.463 -1.251 3.164 1.00 1.33 O ATOM 0 H GLY A 31 -16.763 -0.488 -0.805 1.00 1.20 H new ATOM 0 HA2 GLY A 31 -17.470 -1.901 1.564 1.00 1.25 H new ATOM 0 HA3 GLY A 31 -16.022 -2.069 0.591 1.00 1.25 H new ATOM 475 N VAL A 32 -15.574 0.666 2.013 1.00 1.10 N ATOM 476 CA VAL A 32 -15.052 1.487 3.091 1.00 1.16 C ATOM 477 C VAL A 32 -16.044 1.475 4.254 1.00 1.30 C ATOM 478 O VAL A 32 -17.169 1.944 4.099 1.00 1.52 O ATOM 479 CB VAL A 32 -14.828 2.922 2.583 1.00 1.40 C ATOM 480 CG1 VAL A 32 -14.545 3.890 3.740 1.00 2.35 C ATOM 481 CG2 VAL A 32 -13.657 2.941 1.596 1.00 2.03 C ATOM 0 H VAL A 32 -15.707 1.166 1.134 1.00 1.10 H new ATOM 0 HA VAL A 32 -14.097 1.089 3.436 1.00 1.16 H new ATOM 0 HB VAL A 32 -15.740 3.251 2.084 1.00 1.40 H new ATOM 0 HG11 VAL A 32 -14.392 4.894 3.345 1.00 2.35 H new ATOM 0 HG12 VAL A 32 -15.392 3.895 4.426 1.00 2.35 H new ATOM 0 HG13 VAL A 32 -13.650 3.569 4.272 1.00 2.35 H new ATOM 0 HG21 VAL A 32 -13.500 3.958 1.237 1.00 2.03 H new ATOM 0 HG22 VAL A 32 -12.754 2.589 2.095 1.00 2.03 H new ATOM 0 HG23 VAL A 32 -13.882 2.289 0.752 1.00 2.03 H new ATOM 491 N LEU A 33 -15.619 1.002 5.430 1.00 1.28 N ATOM 492 CA LEU A 33 -16.350 1.290 6.657 1.00 1.27 C ATOM 493 C LEU A 33 -15.381 1.563 7.803 1.00 1.29 C ATOM 494 O LEU A 33 -15.554 1.079 8.919 1.00 1.36 O ATOM 495 CB LEU A 33 -17.362 0.166 6.966 1.00 1.37 C ATOM 496 CG LEU A 33 -16.816 -1.204 7.433 1.00 1.75 C ATOM 497 CD1 LEU A 33 -18.000 -2.142 7.694 1.00 2.43 C ATOM 498 CD2 LEU A 33 -15.871 -1.873 6.431 1.00 2.31 C ATOM 0 H LEU A 33 -14.785 0.427 5.553 1.00 1.28 H new ATOM 0 HA LEU A 33 -16.936 2.199 6.524 1.00 1.27 H new ATOM 0 HB2 LEU A 33 -18.042 0.533 7.735 1.00 1.37 H new ATOM 0 HB3 LEU A 33 -17.957 -0.002 6.068 1.00 1.37 H new ATOM 0 HG LEU A 33 -16.233 -1.017 8.335 1.00 1.75 H new ATOM 0 HD11 LEU A 33 -17.629 -3.112 8.024 1.00 2.43 H new ATOM 0 HD12 LEU A 33 -18.639 -1.715 8.467 1.00 2.43 H new ATOM 0 HD13 LEU A 33 -18.575 -2.266 6.776 1.00 2.43 H new ATOM 0 HD21 LEU A 33 -15.532 -2.828 6.832 1.00 2.31 H new ATOM 0 HD22 LEU A 33 -16.397 -2.040 5.491 1.00 2.31 H new ATOM 0 HD23 LEU A 33 -15.011 -1.227 6.255 1.00 2.31 H new ATOM 510 N SER A 34 -14.404 2.441 7.573 1.00 1.24 N ATOM 511 CA SER A 34 -13.678 3.064 8.657 1.00 1.23 C ATOM 512 C SER A 34 -13.036 4.323 8.113 1.00 1.17 C ATOM 513 O SER A 34 -12.720 4.390 6.926 1.00 1.20 O ATOM 514 CB SER A 34 -12.627 2.099 9.211 1.00 1.37 C ATOM 515 OG SER A 34 -11.979 2.623 10.353 1.00 1.64 O ATOM 0 H SER A 34 -14.104 2.731 6.642 1.00 1.24 H new ATOM 0 HA SER A 34 -14.348 3.317 9.479 1.00 1.23 H new ATOM 0 HB2 SER A 34 -13.103 1.152 9.466 1.00 1.37 H new ATOM 0 HB3 SER A 34 -11.887 1.886 8.439 1.00 1.37 H new ATOM 0 HG SER A 34 -11.317 1.978 10.678 1.00 1.64 H new ATOM 521 N VAL A 35 -12.853 5.299 8.991 1.00 1.13 N ATOM 522 CA VAL A 35 -12.200 6.555 8.726 1.00 1.11 C ATOM 523 C VAL A 35 -11.425 6.882 9.992 1.00 1.19 C ATOM 524 O VAL A 35 -12.017 6.969 11.066 1.00 1.38 O ATOM 525 CB VAL A 35 -13.263 7.602 8.360 1.00 1.12 C ATOM 526 CG1 VAL A 35 -14.398 7.679 9.394 1.00 2.53 C ATOM 527 CG2 VAL A 35 -12.657 8.992 8.141 1.00 2.02 C ATOM 0 H VAL A 35 -13.176 5.223 9.955 1.00 1.13 H new ATOM 0 HA VAL A 35 -11.511 6.528 7.882 1.00 1.11 H new ATOM 0 HB VAL A 35 -13.692 7.263 7.417 1.00 1.12 H new ATOM 0 HG11 VAL A 35 -15.121 8.434 9.085 1.00 2.53 H new ATOM 0 HG12 VAL A 35 -14.893 6.710 9.464 1.00 2.53 H new ATOM 0 HG13 VAL A 35 -13.986 7.947 10.367 1.00 2.53 H new ATOM 0 HG21 VAL A 35 -13.448 9.697 7.885 1.00 2.02 H new ATOM 0 HG22 VAL A 35 -12.160 9.320 9.054 1.00 2.02 H new ATOM 0 HG23 VAL A 35 -11.932 8.949 7.328 1.00 2.02 H new ATOM 537 N LEU A 36 -10.107 7.016 9.892 1.00 1.12 N ATOM 538 CA LEU A 36 -9.297 7.476 11.002 1.00 1.21 C ATOM 539 C LEU A 36 -8.275 8.434 10.405 1.00 1.16 C ATOM 540 O LEU A 36 -7.197 8.036 9.967 1.00 1.24 O ATOM 541 CB LEU A 36 -8.729 6.269 11.765 1.00 1.39 C ATOM 542 CG LEU A 36 -8.132 6.581 13.148 1.00 1.84 C ATOM 543 CD1 LEU A 36 -7.770 5.256 13.831 1.00 2.41 C ATOM 544 CD2 LEU A 36 -6.875 7.456 13.078 1.00 2.27 C ATOM 0 H LEU A 36 -9.578 6.809 9.044 1.00 1.12 H new ATOM 0 HA LEU A 36 -9.852 8.022 11.765 1.00 1.21 H new ATOM 0 HB2 LEU A 36 -9.523 5.533 11.889 1.00 1.39 H new ATOM 0 HB3 LEU A 36 -7.957 5.804 11.152 1.00 1.39 H new ATOM 0 HG LEU A 36 -8.882 7.138 13.709 1.00 1.84 H new ATOM 0 HD11 LEU A 36 -7.345 5.458 14.814 1.00 2.41 H new ATOM 0 HD12 LEU A 36 -8.667 4.647 13.942 1.00 2.41 H new ATOM 0 HD13 LEU A 36 -7.041 4.721 13.223 1.00 2.41 H new ATOM 0 HD21 LEU A 36 -6.503 7.640 14.086 1.00 2.27 H new ATOM 0 HD22 LEU A 36 -6.108 6.945 12.496 1.00 2.27 H new ATOM 0 HD23 LEU A 36 -7.119 8.406 12.603 1.00 2.27 H new ATOM 556 N VAL A 37 -8.654 9.714 10.349 1.00 1.06 N ATOM 557 CA VAL A 37 -7.766 10.790 9.956 1.00 1.03 C ATOM 558 C VAL A 37 -7.394 11.583 11.203 1.00 1.10 C ATOM 559 O VAL A 37 -8.259 11.901 12.017 1.00 1.21 O ATOM 560 CB VAL A 37 -8.391 11.660 8.846 1.00 0.94 C ATOM 561 CG1 VAL A 37 -9.526 12.543 9.363 1.00 2.31 C ATOM 562 CG2 VAL A 37 -7.364 12.601 8.203 1.00 1.76 C ATOM 0 H VAL A 37 -9.597 10.026 10.579 1.00 1.06 H new ATOM 0 HA VAL A 37 -6.853 10.386 9.519 1.00 1.03 H new ATOM 0 HB VAL A 37 -8.770 10.944 8.117 1.00 0.94 H new ATOM 0 HG11 VAL A 37 -9.930 13.134 8.541 1.00 2.31 H new ATOM 0 HG12 VAL A 37 -10.314 11.916 9.781 1.00 2.31 H new ATOM 0 HG13 VAL A 37 -9.145 13.210 10.137 1.00 2.31 H new ATOM 0 HG21 VAL A 37 -7.849 13.194 7.427 1.00 1.76 H new ATOM 0 HG22 VAL A 37 -6.953 13.265 8.963 1.00 1.76 H new ATOM 0 HG23 VAL A 37 -6.559 12.014 7.761 1.00 1.76 H new ATOM 572 N ALA A 38 -6.112 11.915 11.339 1.00 1.12 N ATOM 573 CA ALA A 38 -5.662 12.932 12.269 1.00 1.11 C ATOM 574 C ALA A 38 -5.326 14.158 11.430 1.00 1.07 C ATOM 575 O ALA A 38 -4.266 14.203 10.809 1.00 1.18 O ATOM 576 CB ALA A 38 -4.461 12.436 13.077 1.00 1.22 C ATOM 0 H ALA A 38 -5.360 11.482 10.804 1.00 1.12 H new ATOM 0 HA ALA A 38 -6.430 13.176 13.003 1.00 1.11 H new ATOM 0 HB1 ALA A 38 -4.140 13.216 13.768 1.00 1.22 H new ATOM 0 HB2 ALA A 38 -4.743 11.546 13.639 1.00 1.22 H new ATOM 0 HB3 ALA A 38 -3.642 12.193 12.400 1.00 1.22 H new ATOM 582 N LEU A 39 -6.222 15.150 11.433 1.00 0.99 N ATOM 583 CA LEU A 39 -6.001 16.477 10.880 1.00 0.98 C ATOM 584 C LEU A 39 -4.779 17.111 11.562 1.00 1.10 C ATOM 585 O LEU A 39 -4.027 17.845 10.930 1.00 1.26 O ATOM 586 CB LEU A 39 -7.316 17.275 11.055 1.00 0.94 C ATOM 587 CG LEU A 39 -7.170 18.786 11.264 1.00 1.97 C ATOM 588 CD1 LEU A 39 -6.697 19.513 9.999 1.00 2.94 C ATOM 589 CD2 LEU A 39 -8.516 19.384 11.696 1.00 2.76 C ATOM 0 H LEU A 39 -7.152 15.040 11.837 1.00 0.99 H new ATOM 0 HA LEU A 39 -5.767 16.459 9.816 1.00 0.98 H new ATOM 0 HB2 LEU A 39 -7.936 17.110 10.174 1.00 0.94 H new ATOM 0 HB3 LEU A 39 -7.856 16.862 11.907 1.00 0.94 H new ATOM 0 HG LEU A 39 -6.415 18.925 12.037 1.00 1.97 H new ATOM 0 HD11 LEU A 39 -6.611 20.580 10.203 1.00 2.94 H new ATOM 0 HD12 LEU A 39 -5.726 19.122 9.696 1.00 2.94 H new ATOM 0 HD13 LEU A 39 -7.418 19.354 9.197 1.00 2.94 H new ATOM 0 HD21 LEU A 39 -8.406 20.458 11.843 1.00 2.76 H new ATOM 0 HD22 LEU A 39 -9.262 19.198 10.923 1.00 2.76 H new ATOM 0 HD23 LEU A 39 -8.837 18.921 12.629 1.00 2.76 H new ATOM 601 N MET A 40 -4.572 16.807 12.848 1.00 1.13 N ATOM 602 CA MET A 40 -3.517 17.406 13.658 1.00 1.22 C ATOM 603 C MET A 40 -2.138 17.129 13.051 1.00 1.22 C ATOM 604 O MET A 40 -1.313 18.029 12.931 1.00 1.25 O ATOM 605 CB MET A 40 -3.594 16.873 15.098 1.00 1.33 C ATOM 606 CG MET A 40 -4.903 17.252 15.803 1.00 2.15 C ATOM 607 SD MET A 40 -4.964 16.782 17.551 1.00 2.73 S ATOM 608 CE MET A 40 -6.622 17.356 17.982 1.00 4.09 C ATOM 0 H MET A 40 -5.141 16.130 13.357 1.00 1.13 H new ATOM 0 HA MET A 40 -3.663 18.486 13.675 1.00 1.22 H new ATOM 0 HB2 MET A 40 -3.495 15.788 15.085 1.00 1.33 H new ATOM 0 HB3 MET A 40 -2.752 17.263 15.670 1.00 1.33 H new ATOM 0 HG2 MET A 40 -5.048 18.329 15.722 1.00 2.15 H new ATOM 0 HG3 MET A 40 -5.735 16.778 15.281 1.00 2.15 H new ATOM 0 HE1 MET A 40 -6.820 17.141 19.032 1.00 4.09 H new ATOM 0 HE2 MET A 40 -6.691 18.430 17.812 1.00 4.09 H new ATOM 0 HE3 MET A 40 -7.357 16.843 17.362 1.00 4.09 H new ATOM 618 N ALA A 41 -1.898 15.865 12.691 1.00 1.21 N ATOM 619 CA ALA A 41 -0.644 15.411 12.103 1.00 1.23 C ATOM 620 C ALA A 41 -0.711 15.410 10.572 1.00 1.18 C ATOM 621 O ALA A 41 0.317 15.501 9.909 1.00 1.27 O ATOM 622 CB ALA A 41 -0.327 14.018 12.646 1.00 1.27 C ATOM 0 H ALA A 41 -2.584 15.119 12.804 1.00 1.21 H new ATOM 0 HA ALA A 41 0.155 16.100 12.379 1.00 1.23 H new ATOM 0 HB1 ALA A 41 0.609 13.664 12.215 1.00 1.27 H new ATOM 0 HB2 ALA A 41 -0.233 14.063 13.731 1.00 1.27 H new ATOM 0 HB3 ALA A 41 -1.131 13.332 12.380 1.00 1.27 H new ATOM 628 N GLY A 42 -1.916 15.279 10.011 1.00 1.07 N ATOM 629 CA GLY A 42 -2.159 15.233 8.581 1.00 1.03 C ATOM 630 C GLY A 42 -1.946 13.824 8.040 1.00 1.04 C ATOM 631 O GLY A 42 -1.165 13.631 7.111 1.00 1.09 O ATOM 0 H GLY A 42 -2.770 15.200 10.563 1.00 1.07 H new ATOM 0 HA2 GLY A 42 -3.178 15.558 8.370 1.00 1.03 H new ATOM 0 HA3 GLY A 42 -1.491 15.928 8.072 1.00 1.03 H new ATOM 635 N LYS A 43 -2.647 12.829 8.600 1.00 1.05 N ATOM 636 CA LYS A 43 -2.519 11.447 8.177 1.00 1.11 C ATOM 637 C LYS A 43 -3.908 10.845 8.114 1.00 1.14 C ATOM 638 O LYS A 43 -4.643 10.972 9.092 1.00 1.23 O ATOM 639 CB LYS A 43 -1.623 10.669 9.146 1.00 1.17 C ATOM 640 CG LYS A 43 -1.891 10.908 10.640 1.00 1.31 C ATOM 641 CD LYS A 43 -0.810 10.320 11.568 1.00 1.64 C ATOM 642 CE LYS A 43 -1.091 8.896 12.081 1.00 2.27 C ATOM 643 NZ LYS A 43 -1.027 7.859 11.029 1.00 2.98 N ATOM 0 H LYS A 43 -3.315 12.970 9.357 1.00 1.05 H new ATOM 0 HA LYS A 43 -2.051 11.394 7.194 1.00 1.11 H new ATOM 0 HB2 LYS A 43 -1.736 9.604 8.941 1.00 1.17 H new ATOM 0 HB3 LYS A 43 -0.584 10.925 8.937 1.00 1.17 H new ATOM 0 HG2 LYS A 43 -1.966 11.981 10.819 1.00 1.31 H new ATOM 0 HG3 LYS A 43 -2.856 10.473 10.901 1.00 1.31 H new ATOM 0 HD2 LYS A 43 0.141 10.316 11.035 1.00 1.64 H new ATOM 0 HD3 LYS A 43 -0.692 10.981 12.426 1.00 1.64 H new ATOM 0 HE2 LYS A 43 -0.371 8.653 12.862 1.00 2.27 H new ATOM 0 HE3 LYS A 43 -2.079 8.874 12.540 1.00 2.27 H new ATOM 0 HZ1 LYS A 43 -1.074 6.917 11.467 1.00 2.98 H new ATOM 0 HZ2 LYS A 43 -1.827 7.978 10.376 1.00 2.98 H new ATOM 0 HZ3 LYS A 43 -0.134 7.952 10.504 1.00 2.98 H new ATOM 657 N ALA A 44 -4.251 10.218 6.986 1.00 1.09 N ATOM 658 CA ALA A 44 -5.532 9.540 6.787 1.00 1.06 C ATOM 659 C ALA A 44 -5.336 8.042 6.608 1.00 1.09 C ATOM 660 O ALA A 44 -4.754 7.625 5.608 1.00 1.07 O ATOM 661 CB ALA A 44 -6.253 10.099 5.558 1.00 1.01 C ATOM 0 H ALA A 44 -3.636 10.167 6.174 1.00 1.09 H new ATOM 0 HA ALA A 44 -6.137 9.717 7.676 1.00 1.06 H new ATOM 0 HB1 ALA A 44 -7.203 9.582 5.427 1.00 1.01 H new ATOM 0 HB2 ALA A 44 -6.436 11.165 5.697 1.00 1.01 H new ATOM 0 HB3 ALA A 44 -5.634 9.949 4.674 1.00 1.01 H new ATOM 667 N GLU A 45 -5.882 7.230 7.519 1.00 1.22 N ATOM 668 CA GLU A 45 -6.081 5.819 7.240 1.00 1.31 C ATOM 669 C GLU A 45 -7.571 5.487 7.179 1.00 1.27 C ATOM 670 O GLU A 45 -8.389 6.053 7.906 1.00 1.24 O ATOM 671 CB GLU A 45 -5.271 4.929 8.196 1.00 1.54 C ATOM 672 CG GLU A 45 -5.584 5.174 9.670 1.00 2.56 C ATOM 673 CD GLU A 45 -4.780 4.262 10.581 1.00 2.94 C ATOM 674 OE1 GLU A 45 -5.202 3.094 10.729 1.00 3.98 O ATOM 675 OE2 GLU A 45 -3.753 4.752 11.103 1.00 3.23 O ATOM 0 H GLU A 45 -6.189 7.529 8.445 1.00 1.22 H new ATOM 0 HA GLU A 45 -5.683 5.595 6.250 1.00 1.31 H new ATOM 0 HB2 GLU A 45 -5.468 3.883 7.960 1.00 1.54 H new ATOM 0 HB3 GLU A 45 -4.208 5.100 8.025 1.00 1.54 H new ATOM 0 HG2 GLU A 45 -5.371 6.214 9.918 1.00 2.56 H new ATOM 0 HG3 GLU A 45 -6.648 5.016 9.846 1.00 2.56 H new ATOM 682 N ILE A 46 -7.920 4.593 6.256 1.00 1.27 N ATOM 683 CA ILE A 46 -9.239 3.983 6.120 1.00 1.30 C ATOM 684 C ILE A 46 -9.045 2.473 6.247 1.00 1.36 C ATOM 685 O ILE A 46 -7.911 2.000 6.187 1.00 1.43 O ATOM 686 CB ILE A 46 -9.816 4.390 4.755 1.00 1.32 C ATOM 687 CG1 ILE A 46 -10.331 5.833 4.825 1.00 2.07 C ATOM 688 CG2 ILE A 46 -10.862 3.429 4.168 1.00 3.45 C ATOM 689 CD1 ILE A 46 -10.773 6.322 3.449 1.00 2.50 C ATOM 0 H ILE A 46 -7.261 4.260 5.552 1.00 1.27 H new ATOM 0 HA ILE A 46 -9.943 4.311 6.885 1.00 1.30 H new ATOM 0 HB ILE A 46 -8.992 4.325 4.045 1.00 1.32 H new ATOM 0 HG12 ILE A 46 -11.167 5.891 5.522 1.00 2.07 H new ATOM 0 HG13 ILE A 46 -9.548 6.484 5.212 1.00 2.07 H new ATOM 0 HG21 ILE A 46 -11.204 3.808 3.205 1.00 3.45 H new ATOM 0 HG22 ILE A 46 -10.415 2.444 4.032 1.00 3.45 H new ATOM 0 HG23 ILE A 46 -11.709 3.352 4.850 1.00 3.45 H new ATOM 0 HD11 ILE A 46 -11.134 7.348 3.526 1.00 2.50 H new ATOM 0 HD12 ILE A 46 -9.928 6.285 2.761 1.00 2.50 H new ATOM 0 HD13 ILE A 46 -11.573 5.683 3.075 1.00 2.50 H new ATOM 701 N LYS A 47 -10.129 1.709 6.397 1.00 1.39 N ATOM 702 CA LYS A 47 -10.093 0.268 6.329 1.00 1.49 C ATOM 703 C LYS A 47 -11.235 -0.231 5.447 1.00 1.72 C ATOM 704 O LYS A 47 -12.402 -0.185 5.839 1.00 1.79 O ATOM 705 CB LYS A 47 -10.058 -0.288 7.751 1.00 1.48 C ATOM 706 CG LYS A 47 -10.111 -1.809 7.795 1.00 2.55 C ATOM 707 CD LYS A 47 -9.524 -2.336 9.115 1.00 3.06 C ATOM 708 CE LYS A 47 -10.114 -1.617 10.341 1.00 3.39 C ATOM 709 NZ LYS A 47 -9.651 -2.205 11.614 1.00 4.18 N ATOM 0 H LYS A 47 -11.060 2.088 6.570 1.00 1.39 H new ATOM 0 HA LYS A 47 -9.189 -0.103 5.846 1.00 1.49 H new ATOM 0 HB2 LYS A 47 -9.149 0.053 8.247 1.00 1.48 H new ATOM 0 HB3 LYS A 47 -10.899 0.116 8.314 1.00 1.48 H new ATOM 0 HG2 LYS A 47 -11.143 -2.145 7.690 1.00 2.55 H new ATOM 0 HG3 LYS A 47 -9.554 -2.222 6.953 1.00 2.55 H new ATOM 0 HD2 LYS A 47 -9.717 -3.406 9.195 1.00 3.06 H new ATOM 0 HD3 LYS A 47 -8.442 -2.207 9.106 1.00 3.06 H new ATOM 0 HE2 LYS A 47 -9.838 -0.563 10.309 1.00 3.39 H new ATOM 0 HE3 LYS A 47 -11.202 -1.663 10.297 1.00 3.39 H new ATOM 0 HZ1 LYS A 47 -10.075 -1.687 12.410 1.00 4.18 H new ATOM 0 HZ2 LYS A 47 -9.937 -3.204 11.659 1.00 4.18 H new ATOM 0 HZ3 LYS A 47 -8.615 -2.138 11.671 1.00 4.18 H new ATOM 723 N TYR A 48 -10.861 -0.658 4.240 1.00 1.83 N ATOM 724 CA TYR A 48 -11.704 -1.286 3.241 1.00 2.05 C ATOM 725 C TYR A 48 -11.492 -2.805 3.190 1.00 2.23 C ATOM 726 O TYR A 48 -10.725 -3.384 3.963 1.00 2.32 O ATOM 727 CB TYR A 48 -11.404 -0.639 1.885 1.00 2.14 C ATOM 728 CG TYR A 48 -9.934 -0.576 1.499 1.00 2.02 C ATOM 729 CD1 TYR A 48 -9.187 -1.737 1.218 1.00 3.09 C ATOM 730 CD2 TYR A 48 -9.321 0.679 1.363 1.00 2.04 C ATOM 731 CE1 TYR A 48 -7.837 -1.626 0.843 1.00 3.13 C ATOM 732 CE2 TYR A 48 -8.063 0.786 0.754 1.00 2.17 C ATOM 733 CZ TYR A 48 -7.287 -0.366 0.559 1.00 2.17 C ATOM 734 OH TYR A 48 -5.986 -0.246 0.168 1.00 2.42 O ATOM 0 H TYR A 48 -9.897 -0.565 3.921 1.00 1.83 H new ATOM 0 HA TYR A 48 -12.751 -1.132 3.503 1.00 2.05 H new ATOM 0 HB2 TYR A 48 -11.941 -1.190 1.113 1.00 2.14 H new ATOM 0 HB3 TYR A 48 -11.804 0.375 1.890 1.00 2.14 H new ATOM 0 HD1 TYR A 48 -9.651 -2.710 1.291 1.00 3.09 H new ATOM 0 HD2 TYR A 48 -9.820 1.565 1.728 1.00 2.04 H new ATOM 0 HE1 TYR A 48 -7.222 -2.511 0.773 1.00 3.13 H new ATOM 0 HE2 TYR A 48 -7.693 1.750 0.437 1.00 2.17 H new ATOM 0 HH TYR A 48 -5.631 0.615 0.472 1.00 2.42 H new ATOM 744 N ASP A 49 -12.182 -3.432 2.235 1.00 2.34 N ATOM 745 CA ASP A 49 -12.071 -4.848 1.909 1.00 2.50 C ATOM 746 C ASP A 49 -11.371 -4.960 0.547 1.00 2.65 C ATOM 747 O ASP A 49 -11.774 -4.248 -0.378 1.00 2.41 O ATOM 748 CB ASP A 49 -13.490 -5.441 1.862 1.00 2.36 C ATOM 749 CG ASP A 49 -13.547 -6.884 2.359 1.00 3.23 C ATOM 750 OD1 ASP A 49 -12.770 -7.222 3.280 1.00 4.17 O ATOM 751 OD2 ASP A 49 -14.400 -7.621 1.826 1.00 3.78 O ATOM 0 H ASP A 49 -12.858 -2.945 1.647 1.00 2.34 H new ATOM 0 HA ASP A 49 -11.491 -5.397 2.651 1.00 2.50 H new ATOM 0 HB2 ASP A 49 -14.156 -4.827 2.468 1.00 2.36 H new ATOM 0 HB3 ASP A 49 -13.862 -5.399 0.838 1.00 2.36 H new ATOM 756 N PRO A 50 -10.320 -5.783 0.385 1.00 3.09 N ATOM 757 CA PRO A 50 -9.428 -5.734 -0.774 1.00 3.27 C ATOM 758 C PRO A 50 -10.006 -6.475 -1.986 1.00 3.14 C ATOM 759 O PRO A 50 -9.289 -7.190 -2.682 1.00 4.03 O ATOM 760 CB PRO A 50 -8.136 -6.394 -0.278 1.00 3.76 C ATOM 761 CG PRO A 50 -8.697 -7.497 0.618 1.00 3.82 C ATOM 762 CD PRO A 50 -9.839 -6.772 1.337 1.00 3.53 C ATOM 0 HA PRO A 50 -9.273 -4.714 -1.124 1.00 3.27 H new ATOM 0 HB2 PRO A 50 -7.536 -6.793 -1.096 1.00 3.76 H new ATOM 0 HB3 PRO A 50 -7.502 -5.698 0.272 1.00 3.76 H new ATOM 0 HG2 PRO A 50 -9.054 -8.350 0.041 1.00 3.82 H new ATOM 0 HG3 PRO A 50 -7.950 -7.875 1.316 1.00 3.82 H new ATOM 0 HD2 PRO A 50 -10.631 -7.466 1.618 1.00 3.53 H new ATOM 0 HD3 PRO A 50 -9.489 -6.298 2.254 1.00 3.53 H new ATOM 770 N GLU A 51 -11.304 -6.313 -2.231 1.00 2.24 N ATOM 771 CA GLU A 51 -12.010 -6.945 -3.337 1.00 2.13 C ATOM 772 C GLU A 51 -13.354 -6.248 -3.581 1.00 2.24 C ATOM 773 O GLU A 51 -14.286 -6.851 -4.107 1.00 2.71 O ATOM 774 CB GLU A 51 -12.181 -8.448 -3.046 1.00 2.23 C ATOM 775 CG GLU A 51 -12.889 -8.729 -1.710 1.00 2.56 C ATOM 776 CD GLU A 51 -12.973 -10.227 -1.439 1.00 2.91 C ATOM 777 OE1 GLU A 51 -11.987 -10.758 -0.882 1.00 3.49 O ATOM 778 OE2 GLU A 51 -14.009 -10.820 -1.813 1.00 3.30 O ATOM 0 H GLU A 51 -11.905 -5.726 -1.653 1.00 2.24 H new ATOM 0 HA GLU A 51 -11.427 -6.844 -4.252 1.00 2.13 H new ATOM 0 HB2 GLU A 51 -12.750 -8.906 -3.855 1.00 2.23 H new ATOM 0 HB3 GLU A 51 -11.200 -8.924 -3.037 1.00 2.23 H new ATOM 0 HG2 GLU A 51 -12.350 -8.239 -0.899 1.00 2.56 H new ATOM 0 HG3 GLU A 51 -13.892 -8.303 -1.729 1.00 2.56 H new ATOM 785 N VAL A 52 -13.466 -4.976 -3.180 1.00 1.94 N ATOM 786 CA VAL A 52 -14.711 -4.223 -3.234 1.00 2.06 C ATOM 787 C VAL A 52 -14.363 -2.821 -3.706 1.00 1.90 C ATOM 788 O VAL A 52 -14.977 -2.316 -4.642 1.00 1.98 O ATOM 789 CB VAL A 52 -15.414 -4.218 -1.861 1.00 2.26 C ATOM 790 CG1 VAL A 52 -16.740 -3.446 -1.940 1.00 2.22 C ATOM 791 CG2 VAL A 52 -15.724 -5.643 -1.380 1.00 3.22 C ATOM 0 H VAL A 52 -12.682 -4.441 -2.806 1.00 1.94 H new ATOM 0 HA VAL A 52 -15.417 -4.682 -3.926 1.00 2.06 H new ATOM 0 HB VAL A 52 -14.733 -3.738 -1.158 1.00 2.26 H new ATOM 0 HG11 VAL A 52 -17.223 -3.452 -0.963 1.00 2.22 H new ATOM 0 HG12 VAL A 52 -16.545 -2.417 -2.242 1.00 2.22 H new ATOM 0 HG13 VAL A 52 -17.394 -3.921 -2.671 1.00 2.22 H new ATOM 0 HG21 VAL A 52 -16.219 -5.600 -0.410 1.00 3.22 H new ATOM 0 HG22 VAL A 52 -16.378 -6.136 -2.099 1.00 3.22 H new ATOM 0 HG23 VAL A 52 -14.795 -6.206 -1.289 1.00 3.22 H new ATOM 801 N ILE A 53 -13.370 -2.199 -3.060 1.00 1.75 N ATOM 802 CA ILE A 53 -12.866 -0.896 -3.445 1.00 1.63 C ATOM 803 C ILE A 53 -11.354 -0.989 -3.636 1.00 1.70 C ATOM 804 O ILE A 53 -10.702 -1.830 -3.017 1.00 1.80 O ATOM 805 CB ILE A 53 -13.280 0.151 -2.403 1.00 1.41 C ATOM 806 CG1 ILE A 53 -12.285 0.293 -1.247 1.00 2.67 C ATOM 807 CG2 ILE A 53 -14.672 -0.129 -1.828 1.00 1.66 C ATOM 808 CD1 ILE A 53 -11.207 1.331 -1.505 1.00 1.53 C ATOM 0 H ILE A 53 -12.896 -2.598 -2.250 1.00 1.75 H new ATOM 0 HA ILE A 53 -13.297 -0.575 -4.393 1.00 1.63 H new ATOM 0 HB ILE A 53 -13.293 1.092 -2.952 1.00 1.41 H new ATOM 0 HG12 ILE A 53 -12.828 0.561 -0.341 1.00 2.67 H new ATOM 0 HG13 ILE A 53 -11.813 -0.672 -1.062 1.00 2.67 H new ATOM 0 HG21 ILE A 53 -14.924 0.637 -1.095 1.00 1.66 H new ATOM 0 HG22 ILE A 53 -15.407 -0.117 -2.633 1.00 1.66 H new ATOM 0 HG23 ILE A 53 -14.677 -1.107 -1.347 1.00 1.66 H new ATOM 0 HD11 ILE A 53 -10.537 1.380 -0.647 1.00 1.53 H new ATOM 0 HD12 ILE A 53 -10.640 1.053 -2.393 1.00 1.53 H new ATOM 0 HD13 ILE A 53 -11.670 2.306 -1.660 1.00 1.53 H new ATOM 820 N GLN A 54 -10.797 -0.122 -4.484 1.00 1.69 N ATOM 821 CA GLN A 54 -9.388 -0.109 -4.828 1.00 1.78 C ATOM 822 C GLN A 54 -8.889 1.309 -4.548 1.00 1.66 C ATOM 823 O GLN A 54 -9.702 2.228 -4.463 1.00 1.64 O ATOM 824 CB GLN A 54 -9.221 -0.572 -6.286 1.00 1.98 C ATOM 825 CG GLN A 54 -9.803 -1.975 -6.534 1.00 2.10 C ATOM 826 CD GLN A 54 -9.320 -3.033 -5.537 1.00 2.39 C ATOM 827 OE1 GLN A 54 -10.131 -3.755 -4.965 1.00 3.69 O ATOM 828 NE2 GLN A 54 -8.011 -3.131 -5.312 1.00 1.84 N ATOM 0 H GLN A 54 -11.333 0.605 -4.958 1.00 1.69 H new ATOM 0 HA GLN A 54 -8.787 -0.801 -4.238 1.00 1.78 H new ATOM 0 HB2 GLN A 54 -9.711 0.142 -6.948 1.00 1.98 H new ATOM 0 HB3 GLN A 54 -8.162 -0.572 -6.544 1.00 1.98 H new ATOM 0 HG2 GLN A 54 -10.891 -1.919 -6.491 1.00 2.10 H new ATOM 0 HG3 GLN A 54 -9.540 -2.294 -7.543 1.00 2.10 H new ATOM 0 HE21 GLN A 54 -7.362 -2.516 -5.803 1.00 1.84 H new ATOM 0 HE22 GLN A 54 -7.658 -3.821 -4.649 1.00 1.84 H new ATOM 837 N PRO A 55 -7.581 1.526 -4.353 1.00 1.61 N ATOM 838 CA PRO A 55 -7.095 2.767 -3.779 1.00 1.62 C ATOM 839 C PRO A 55 -7.384 3.941 -4.720 1.00 1.60 C ATOM 840 O PRO A 55 -7.609 5.063 -4.271 1.00 1.64 O ATOM 841 CB PRO A 55 -5.614 2.517 -3.488 1.00 1.62 C ATOM 842 CG PRO A 55 -5.196 1.395 -4.434 1.00 1.54 C ATOM 843 CD PRO A 55 -6.490 0.636 -4.711 1.00 1.53 C ATOM 0 HA PRO A 55 -7.597 3.052 -2.854 1.00 1.62 H new ATOM 0 HB2 PRO A 55 -5.023 3.416 -3.661 1.00 1.62 H new ATOM 0 HB3 PRO A 55 -5.462 2.230 -2.448 1.00 1.62 H new ATOM 0 HG2 PRO A 55 -4.762 1.790 -5.352 1.00 1.54 H new ATOM 0 HG3 PRO A 55 -4.445 0.749 -3.978 1.00 1.54 H new ATOM 0 HD2 PRO A 55 -6.553 0.349 -5.761 1.00 1.53 H new ATOM 0 HD3 PRO A 55 -6.532 -0.283 -4.126 1.00 1.53 H new ATOM 851 N LEU A 56 -7.454 3.658 -6.024 1.00 1.60 N ATOM 852 CA LEU A 56 -7.923 4.590 -7.037 1.00 1.65 C ATOM 853 C LEU A 56 -9.339 5.085 -6.723 1.00 1.78 C ATOM 854 O LEU A 56 -9.600 6.271 -6.877 1.00 1.72 O ATOM 855 CB LEU A 56 -7.880 3.957 -8.437 1.00 1.80 C ATOM 856 CG LEU A 56 -6.493 4.018 -9.101 1.00 2.09 C ATOM 857 CD1 LEU A 56 -5.482 3.070 -8.448 1.00 3.56 C ATOM 858 CD2 LEU A 56 -6.626 3.668 -10.588 1.00 2.06 C ATOM 0 H LEU A 56 -7.179 2.753 -6.406 1.00 1.60 H new ATOM 0 HA LEU A 56 -7.250 5.447 -7.026 1.00 1.65 H new ATOM 0 HB2 LEU A 56 -8.193 2.915 -8.365 1.00 1.80 H new ATOM 0 HB3 LEU A 56 -8.602 4.463 -9.077 1.00 1.80 H new ATOM 0 HG LEU A 56 -6.117 5.033 -8.973 1.00 2.09 H new ATOM 0 HD11 LEU A 56 -4.522 3.155 -8.957 1.00 3.56 H new ATOM 0 HD12 LEU A 56 -5.361 3.335 -7.398 1.00 3.56 H new ATOM 0 HD13 LEU A 56 -5.843 2.044 -8.524 1.00 3.56 H new ATOM 0 HD21 LEU A 56 -5.645 3.710 -11.061 1.00 2.06 H new ATOM 0 HD22 LEU A 56 -7.035 2.663 -10.690 1.00 2.06 H new ATOM 0 HD23 LEU A 56 -7.293 4.382 -11.072 1.00 2.06 H new ATOM 870 N GLU A 57 -10.248 4.210 -6.285 1.00 1.96 N ATOM 871 CA GLU A 57 -11.644 4.560 -6.052 1.00 2.04 C ATOM 872 C GLU A 57 -11.741 5.583 -4.919 1.00 1.84 C ATOM 873 O GLU A 57 -12.294 6.671 -5.101 1.00 1.70 O ATOM 874 CB GLU A 57 -12.467 3.297 -5.749 1.00 2.33 C ATOM 875 CG GLU A 57 -12.327 2.225 -6.843 1.00 2.01 C ATOM 876 CD GLU A 57 -12.787 2.743 -8.200 1.00 2.03 C ATOM 877 OE1 GLU A 57 -13.979 3.107 -8.292 1.00 2.84 O ATOM 878 OE2 GLU A 57 -11.934 2.776 -9.113 1.00 2.65 O ATOM 0 H GLU A 57 -10.031 3.234 -6.082 1.00 1.96 H new ATOM 0 HA GLU A 57 -12.059 5.014 -6.952 1.00 2.04 H new ATOM 0 HB2 GLU A 57 -12.148 2.880 -4.794 1.00 2.33 H new ATOM 0 HB3 GLU A 57 -13.517 3.569 -5.643 1.00 2.33 H new ATOM 0 HG2 GLU A 57 -11.287 1.905 -6.909 1.00 2.01 H new ATOM 0 HG3 GLU A 57 -12.913 1.348 -6.570 1.00 2.01 H new ATOM 885 N ILE A 58 -11.123 5.260 -3.776 1.00 1.84 N ATOM 886 CA ILE A 58 -10.912 6.196 -2.685 1.00 1.69 C ATOM 887 C ILE A 58 -10.351 7.482 -3.269 1.00 1.61 C ATOM 888 O ILE A 58 -10.903 8.565 -3.065 1.00 1.49 O ATOM 889 CB ILE A 58 -9.969 5.542 -1.649 1.00 1.67 C ATOM 890 CG1 ILE A 58 -10.834 4.915 -0.551 1.00 1.72 C ATOM 891 CG2 ILE A 58 -8.963 6.512 -0.998 1.00 1.75 C ATOM 892 CD1 ILE A 58 -10.055 3.876 0.255 1.00 1.73 C ATOM 0 H ILE A 58 -10.754 4.328 -3.589 1.00 1.84 H new ATOM 0 HA ILE A 58 -11.839 6.442 -2.168 1.00 1.69 H new ATOM 0 HB ILE A 58 -9.371 4.806 -2.186 1.00 1.67 H new ATOM 0 HG12 ILE A 58 -11.198 5.696 0.117 1.00 1.72 H new ATOM 0 HG13 ILE A 58 -11.710 4.446 -1.000 1.00 1.72 H new ATOM 0 HG21 ILE A 58 -8.342 5.969 -0.285 1.00 1.75 H new ATOM 0 HG22 ILE A 58 -8.330 6.951 -1.769 1.00 1.75 H new ATOM 0 HG23 ILE A 58 -9.504 7.303 -0.479 1.00 1.75 H new ATOM 0 HD11 ILE A 58 -10.701 3.453 1.024 1.00 1.73 H new ATOM 0 HD12 ILE A 58 -9.713 3.082 -0.409 1.00 1.73 H new ATOM 0 HD13 ILE A 58 -9.194 4.351 0.725 1.00 1.73 H new ATOM 904 N ALA A 59 -9.254 7.358 -4.020 1.00 1.74 N ATOM 905 CA ALA A 59 -8.555 8.526 -4.497 1.00 1.74 C ATOM 906 C ALA A 59 -9.456 9.391 -5.380 1.00 1.70 C ATOM 907 O ALA A 59 -9.360 10.616 -5.355 1.00 1.60 O ATOM 908 CB ALA A 59 -7.251 8.147 -5.201 1.00 1.90 C ATOM 0 H ALA A 59 -8.844 6.467 -4.301 1.00 1.74 H new ATOM 0 HA ALA A 59 -8.284 9.129 -3.631 1.00 1.74 H new ATOM 0 HB1 ALA A 59 -6.749 9.050 -5.548 1.00 1.90 H new ATOM 0 HB2 ALA A 59 -6.602 7.616 -4.504 1.00 1.90 H new ATOM 0 HB3 ALA A 59 -7.471 7.504 -6.053 1.00 1.90 H new ATOM 914 N GLN A 60 -10.336 8.759 -6.153 1.00 1.80 N ATOM 915 CA GLN A 60 -11.240 9.417 -7.076 1.00 1.78 C ATOM 916 C GLN A 60 -12.110 10.406 -6.309 1.00 1.46 C ATOM 917 O GLN A 60 -12.213 11.563 -6.708 1.00 1.45 O ATOM 918 CB GLN A 60 -12.079 8.375 -7.840 1.00 1.96 C ATOM 919 CG GLN A 60 -12.232 8.708 -9.329 1.00 1.81 C ATOM 920 CD GLN A 60 -10.905 8.597 -10.081 1.00 2.14 C ATOM 921 OE1 GLN A 60 -10.469 7.509 -10.438 1.00 3.42 O ATOM 922 NE2 GLN A 60 -10.245 9.723 -10.341 1.00 1.62 N ATOM 0 H GLN A 60 -10.438 7.744 -6.150 1.00 1.80 H new ATOM 0 HA GLN A 60 -10.671 9.974 -7.821 1.00 1.78 H new ATOM 0 HB2 GLN A 60 -11.613 7.395 -7.738 1.00 1.96 H new ATOM 0 HB3 GLN A 60 -13.067 8.307 -7.385 1.00 1.96 H new ATOM 0 HG2 GLN A 60 -12.961 8.033 -9.778 1.00 1.81 H new ATOM 0 HG3 GLN A 60 -12.626 9.719 -9.436 1.00 1.81 H new ATOM 0 HE21 GLN A 60 -10.625 10.619 -10.035 1.00 1.62 H new ATOM 0 HE22 GLN A 60 -9.359 9.690 -10.846 1.00 1.62 H new ATOM 931 N PHE A 61 -12.680 9.964 -5.182 1.00 1.31 N ATOM 932 CA PHE A 61 -13.437 10.846 -4.302 1.00 1.12 C ATOM 933 C PHE A 61 -12.581 12.053 -3.920 1.00 1.05 C ATOM 934 O PHE A 61 -13.004 13.194 -4.080 1.00 1.11 O ATOM 935 CB PHE A 61 -13.932 10.097 -3.051 1.00 1.16 C ATOM 936 CG PHE A 61 -15.387 9.681 -3.121 1.00 1.06 C ATOM 937 CD1 PHE A 61 -15.775 8.632 -3.973 1.00 2.20 C ATOM 938 CD2 PHE A 61 -16.363 10.386 -2.388 1.00 1.94 C ATOM 939 CE1 PHE A 61 -17.134 8.287 -4.092 1.00 2.50 C ATOM 940 CE2 PHE A 61 -17.721 10.040 -2.508 1.00 1.89 C ATOM 941 CZ PHE A 61 -18.105 8.986 -3.353 1.00 1.53 C ATOM 0 H PHE A 61 -12.628 8.997 -4.862 1.00 1.31 H new ATOM 0 HA PHE A 61 -14.320 11.197 -4.836 1.00 1.12 H new ATOM 0 HB2 PHE A 61 -13.317 9.209 -2.904 1.00 1.16 H new ATOM 0 HB3 PHE A 61 -13.788 10.733 -2.178 1.00 1.16 H new ATOM 0 HD1 PHE A 61 -15.029 8.091 -4.537 1.00 2.20 H new ATOM 0 HD2 PHE A 61 -16.068 11.193 -1.734 1.00 1.94 H new ATOM 0 HE1 PHE A 61 -17.431 7.485 -4.751 1.00 2.50 H new ATOM 0 HE2 PHE A 61 -18.468 10.585 -1.950 1.00 1.89 H new ATOM 0 HZ PHE A 61 -19.146 8.712 -3.435 1.00 1.53 H new ATOM 951 N ILE A 62 -11.376 11.810 -3.405 1.00 1.06 N ATOM 952 CA ILE A 62 -10.530 12.886 -2.900 1.00 1.09 C ATOM 953 C ILE A 62 -10.233 13.907 -4.009 1.00 1.24 C ATOM 954 O ILE A 62 -10.395 15.116 -3.821 1.00 1.23 O ATOM 955 CB ILE A 62 -9.255 12.308 -2.257 1.00 1.10 C ATOM 956 CG1 ILE A 62 -9.538 11.157 -1.276 1.00 1.58 C ATOM 957 CG2 ILE A 62 -8.497 13.414 -1.520 1.00 1.45 C ATOM 958 CD1 ILE A 62 -10.692 11.426 -0.309 1.00 2.71 C ATOM 0 H ILE A 62 -10.966 10.879 -3.327 1.00 1.06 H new ATOM 0 HA ILE A 62 -11.061 13.426 -2.116 1.00 1.09 H new ATOM 0 HB ILE A 62 -8.656 11.902 -3.072 1.00 1.10 H new ATOM 0 HG12 ILE A 62 -9.760 10.255 -1.846 1.00 1.58 H new ATOM 0 HG13 ILE A 62 -8.635 10.956 -0.699 1.00 1.58 H new ATOM 0 HG21 ILE A 62 -7.596 12.999 -1.068 1.00 1.45 H new ATOM 0 HG22 ILE A 62 -8.220 14.198 -2.225 1.00 1.45 H new ATOM 0 HG23 ILE A 62 -9.133 13.835 -0.741 1.00 1.45 H new ATOM 0 HD11 ILE A 62 -10.825 10.566 0.347 1.00 2.71 H new ATOM 0 HD12 ILE A 62 -10.466 12.308 0.290 1.00 2.71 H new ATOM 0 HD13 ILE A 62 -11.608 11.596 -0.874 1.00 2.71 H new ATOM 970 N GLN A 63 -9.829 13.412 -5.180 1.00 1.43 N ATOM 971 CA GLN A 63 -9.567 14.235 -6.348 1.00 1.64 C ATOM 972 C GLN A 63 -10.818 15.021 -6.764 1.00 1.67 C ATOM 973 O GLN A 63 -10.714 16.215 -7.028 1.00 1.79 O ATOM 974 CB GLN A 63 -9.028 13.360 -7.491 1.00 1.87 C ATOM 975 CG GLN A 63 -7.499 13.436 -7.637 1.00 1.80 C ATOM 976 CD GLN A 63 -6.674 13.069 -6.403 1.00 1.88 C ATOM 977 OE1 GLN A 63 -5.667 13.705 -6.117 1.00 2.71 O ATOM 978 NE2 GLN A 63 -7.036 12.015 -5.681 1.00 1.81 N ATOM 0 H GLN A 63 -9.675 12.416 -5.339 1.00 1.43 H new ATOM 0 HA GLN A 63 -8.804 14.973 -6.099 1.00 1.64 H new ATOM 0 HB2 GLN A 63 -9.320 12.324 -7.317 1.00 1.87 H new ATOM 0 HB3 GLN A 63 -9.493 13.669 -8.427 1.00 1.87 H new ATOM 0 HG2 GLN A 63 -7.202 12.778 -8.454 1.00 1.80 H new ATOM 0 HG3 GLN A 63 -7.235 14.451 -7.934 1.00 1.80 H new ATOM 0 HE21 GLN A 63 -7.876 11.492 -5.928 1.00 1.81 H new ATOM 0 HE22 GLN A 63 -6.474 11.728 -4.880 1.00 1.81 H new ATOM 987 N ASP A 64 -11.989 14.376 -6.817 1.00 1.59 N ATOM 988 CA ASP A 64 -13.243 15.025 -7.193 1.00 1.65 C ATOM 989 C ASP A 64 -13.563 16.159 -6.219 1.00 1.60 C ATOM 990 O ASP A 64 -13.807 17.295 -6.620 1.00 1.79 O ATOM 991 CB ASP A 64 -14.370 13.988 -7.221 1.00 1.56 C ATOM 992 CG ASP A 64 -15.707 14.654 -7.512 1.00 1.66 C ATOM 993 OD1 ASP A 64 -15.954 14.927 -8.706 1.00 2.56 O ATOM 994 OD2 ASP A 64 -16.452 14.877 -6.534 1.00 2.32 O ATOM 0 H ASP A 64 -12.090 13.385 -6.599 1.00 1.59 H new ATOM 0 HA ASP A 64 -13.144 15.456 -8.189 1.00 1.65 H new ATOM 0 HB2 ASP A 64 -14.160 13.236 -7.981 1.00 1.56 H new ATOM 0 HB3 ASP A 64 -14.417 13.469 -6.264 1.00 1.56 H new ATOM 999 N LEU A 65 -13.499 15.848 -4.923 1.00 1.38 N ATOM 1000 CA LEU A 65 -13.665 16.818 -3.851 1.00 1.39 C ATOM 1001 C LEU A 65 -12.643 17.956 -3.950 1.00 1.54 C ATOM 1002 O LEU A 65 -12.922 19.070 -3.512 1.00 1.67 O ATOM 1003 CB LEU A 65 -13.605 16.097 -2.497 1.00 1.20 C ATOM 1004 CG LEU A 65 -14.962 15.446 -2.165 1.00 1.21 C ATOM 1005 CD1 LEU A 65 -14.792 14.063 -1.521 1.00 1.98 C ATOM 1006 CD2 LEU A 65 -15.770 16.375 -1.251 1.00 1.51 C ATOM 0 H LEU A 65 -13.328 14.900 -4.589 1.00 1.38 H new ATOM 0 HA LEU A 65 -14.644 17.288 -3.947 1.00 1.39 H new ATOM 0 HB2 LEU A 65 -12.826 15.335 -2.520 1.00 1.20 H new ATOM 0 HB3 LEU A 65 -13.335 16.805 -1.714 1.00 1.20 H new ATOM 0 HG LEU A 65 -15.504 15.297 -3.099 1.00 1.21 H new ATOM 0 HD11 LEU A 65 -15.773 13.640 -1.303 1.00 1.98 H new ATOM 0 HD12 LEU A 65 -14.257 13.406 -2.207 1.00 1.98 H new ATOM 0 HD13 LEU A 65 -14.225 14.160 -0.595 1.00 1.98 H new ATOM 0 HD21 LEU A 65 -16.729 15.912 -1.018 1.00 1.51 H new ATOM 0 HD22 LEU A 65 -15.217 16.548 -0.328 1.00 1.51 H new ATOM 0 HD23 LEU A 65 -15.939 17.326 -1.757 1.00 1.51 H new ATOM 1018 N GLY A 66 -11.469 17.690 -4.528 1.00 1.55 N ATOM 1019 CA GLY A 66 -10.492 18.710 -4.890 1.00 1.69 C ATOM 1020 C GLY A 66 -9.376 18.754 -3.859 1.00 1.45 C ATOM 1021 O GLY A 66 -8.869 19.821 -3.517 1.00 1.47 O ATOM 0 H GLY A 66 -11.169 16.743 -4.760 1.00 1.55 H new ATOM 0 HA2 GLY A 66 -10.079 18.495 -5.876 1.00 1.69 H new ATOM 0 HA3 GLY A 66 -10.978 19.684 -4.953 1.00 1.69 H new ATOM 1025 N PHE A 67 -9.021 17.579 -3.344 1.00 1.25 N ATOM 1026 CA PHE A 67 -7.969 17.353 -2.373 1.00 1.09 C ATOM 1027 C PHE A 67 -6.967 16.403 -3.033 1.00 1.16 C ATOM 1028 O PHE A 67 -7.330 15.704 -3.979 1.00 1.25 O ATOM 1029 CB PHE A 67 -8.609 16.686 -1.145 1.00 0.91 C ATOM 1030 CG PHE A 67 -9.146 17.599 -0.058 1.00 0.86 C ATOM 1031 CD1 PHE A 67 -9.977 18.693 -0.361 1.00 1.72 C ATOM 1032 CD2 PHE A 67 -8.911 17.266 1.288 1.00 1.94 C ATOM 1033 CE1 PHE A 67 -10.416 19.546 0.666 1.00 1.81 C ATOM 1034 CE2 PHE A 67 -9.363 18.105 2.318 1.00 1.92 C ATOM 1035 CZ PHE A 67 -10.052 19.284 1.997 1.00 1.03 C ATOM 0 H PHE A 67 -9.490 16.714 -3.613 1.00 1.25 H new ATOM 0 HA PHE A 67 -7.471 18.272 -2.064 1.00 1.09 H new ATOM 0 HB2 PHE A 67 -9.428 16.056 -1.492 1.00 0.91 H new ATOM 0 HB3 PHE A 67 -7.868 16.026 -0.695 1.00 0.91 H new ATOM 0 HD1 PHE A 67 -10.277 18.877 -1.382 1.00 1.72 H new ATOM 0 HD2 PHE A 67 -8.379 16.358 1.531 1.00 1.94 H new ATOM 0 HE1 PHE A 67 -11.032 20.402 0.432 1.00 1.81 H new ATOM 0 HE2 PHE A 67 -9.182 17.845 3.350 1.00 1.92 H new ATOM 0 HZ PHE A 67 -10.303 19.991 2.774 1.00 1.03 H new ATOM 1045 N GLU A 68 -5.740 16.320 -2.510 1.00 1.16 N ATOM 1046 CA GLU A 68 -4.797 15.286 -2.908 1.00 1.25 C ATOM 1047 C GLU A 68 -4.732 14.236 -1.804 1.00 1.18 C ATOM 1048 O GLU A 68 -4.421 14.569 -0.657 1.00 1.17 O ATOM 1049 CB GLU A 68 -3.405 15.872 -3.137 1.00 1.34 C ATOM 1050 CG GLU A 68 -3.338 16.888 -4.280 1.00 1.44 C ATOM 1051 CD GLU A 68 -1.889 17.294 -4.510 1.00 1.80 C ATOM 1052 OE1 GLU A 68 -1.108 16.400 -4.903 1.00 2.74 O ATOM 1053 OE2 GLU A 68 -1.568 18.468 -4.229 1.00 2.20 O ATOM 0 H GLU A 68 -5.381 16.964 -1.806 1.00 1.16 H new ATOM 0 HA GLU A 68 -5.134 14.838 -3.843 1.00 1.25 H new ATOM 0 HB2 GLU A 68 -3.068 16.352 -2.218 1.00 1.34 H new ATOM 0 HB3 GLU A 68 -2.710 15.059 -3.346 1.00 1.34 H new ATOM 0 HG2 GLU A 68 -3.755 16.457 -5.190 1.00 1.44 H new ATOM 0 HG3 GLU A 68 -3.939 17.765 -4.038 1.00 1.44 H new ATOM 1060 N ALA A 69 -4.984 12.974 -2.158 1.00 1.17 N ATOM 1061 CA ALA A 69 -4.625 11.822 -1.344 1.00 1.18 C ATOM 1062 C ALA A 69 -3.469 11.115 -2.036 1.00 1.20 C ATOM 1063 O ALA A 69 -3.600 10.697 -3.183 1.00 1.24 O ATOM 1064 CB ALA A 69 -5.805 10.865 -1.171 1.00 1.28 C ATOM 0 H ALA A 69 -5.450 12.725 -3.031 1.00 1.17 H new ATOM 0 HA ALA A 69 -4.339 12.153 -0.346 1.00 1.18 H new ATOM 0 HB1 ALA A 69 -5.499 10.017 -0.558 1.00 1.28 H new ATOM 0 HB2 ALA A 69 -6.628 11.387 -0.684 1.00 1.28 H new ATOM 0 HB3 ALA A 69 -6.130 10.508 -2.148 1.00 1.28 H new ATOM 1070 N ALA A 70 -2.351 10.979 -1.328 1.00 1.24 N ATOM 1071 CA ALA A 70 -1.228 10.154 -1.740 1.00 1.36 C ATOM 1072 C ALA A 70 -0.767 9.369 -0.536 1.00 1.31 C ATOM 1073 O ALA A 70 -1.058 9.730 0.601 1.00 1.19 O ATOM 1074 CB ALA A 70 -0.093 11.014 -2.300 1.00 1.44 C ATOM 0 H ALA A 70 -2.201 11.450 -0.436 1.00 1.24 H new ATOM 0 HA ALA A 70 -1.533 9.475 -2.536 1.00 1.36 H new ATOM 0 HB1 ALA A 70 0.735 10.372 -2.601 1.00 1.44 H new ATOM 0 HB2 ALA A 70 -0.452 11.572 -3.164 1.00 1.44 H new ATOM 0 HB3 ALA A 70 0.248 11.711 -1.534 1.00 1.44 H new ATOM 1080 N VAL A 71 -0.112 8.253 -0.817 1.00 1.58 N ATOM 1081 CA VAL A 71 0.118 7.218 0.159 1.00 1.54 C ATOM 1082 C VAL A 71 1.147 7.688 1.187 1.00 1.85 C ATOM 1083 O VAL A 71 2.018 8.496 0.875 1.00 2.22 O ATOM 1084 CB VAL A 71 0.444 5.880 -0.533 1.00 1.87 C ATOM 1085 CG1 VAL A 71 0.334 5.887 -2.049 1.00 2.02 C ATOM 1086 CG2 VAL A 71 1.838 5.336 -0.222 1.00 3.70 C ATOM 0 H VAL A 71 0.275 8.046 -1.738 1.00 1.58 H new ATOM 0 HA VAL A 71 -0.791 7.021 0.728 1.00 1.54 H new ATOM 0 HB VAL A 71 -0.331 5.242 -0.108 1.00 1.87 H new ATOM 0 HG11 VAL A 71 0.583 4.899 -2.436 1.00 2.02 H new ATOM 0 HG12 VAL A 71 -0.685 6.144 -2.339 1.00 2.02 H new ATOM 0 HG13 VAL A 71 1.025 6.623 -2.461 1.00 2.02 H new ATOM 0 HG21 VAL A 71 1.986 4.393 -0.748 1.00 3.70 H new ATOM 0 HG22 VAL A 71 2.590 6.055 -0.547 1.00 3.70 H new ATOM 0 HG23 VAL A 71 1.933 5.172 0.851 1.00 3.70 H new ATOM 1096 N MET A 72 1.097 7.137 2.400 1.00 1.94 N ATOM 1097 CA MET A 72 2.096 7.370 3.437 1.00 2.55 C ATOM 1098 C MET A 72 3.311 6.459 3.262 1.00 3.32 C ATOM 1099 O MET A 72 3.855 5.940 4.230 1.00 4.77 O ATOM 1100 CB MET A 72 1.456 7.073 4.780 1.00 2.79 C ATOM 1101 CG MET A 72 0.410 8.107 5.177 1.00 3.16 C ATOM 1102 SD MET A 72 0.526 8.799 6.849 1.00 4.31 S ATOM 1103 CE MET A 72 2.093 9.696 6.741 1.00 4.19 C ATOM 0 H MET A 72 0.349 6.507 2.692 1.00 1.94 H new ATOM 0 HA MET A 72 2.435 8.404 3.372 1.00 2.55 H new ATOM 0 HB2 MET A 72 0.991 6.088 4.746 1.00 2.79 H new ATOM 0 HB3 MET A 72 2.231 7.034 5.546 1.00 2.79 H new ATOM 0 HG2 MET A 72 0.462 8.931 4.465 1.00 3.16 H new ATOM 0 HG3 MET A 72 -0.574 7.652 5.067 1.00 3.16 H new ATOM 0 HE1 MET A 72 2.234 10.291 7.643 1.00 4.19 H new ATOM 0 HE2 MET A 72 2.913 8.985 6.643 1.00 4.19 H new ATOM 0 HE3 MET A 72 2.077 10.353 5.871 1.00 4.19 H new ATOM 1113 N GLU A 73 3.699 6.257 2.012 1.00 2.75 N ATOM 1114 CA GLU A 73 4.772 5.416 1.530 1.00 3.33 C ATOM 1115 C GLU A 73 4.507 3.914 1.768 1.00 3.64 C ATOM 1116 O GLU A 73 4.566 3.143 0.814 1.00 3.23 O ATOM 1117 CB GLU A 73 6.111 5.946 2.036 1.00 3.77 C ATOM 1118 CG GLU A 73 6.755 7.001 1.120 1.00 4.07 C ATOM 1119 CD GLU A 73 7.768 6.374 0.172 1.00 3.78 C ATOM 1120 OE1 GLU A 73 7.336 5.834 -0.866 1.00 3.55 O ATOM 1121 OE2 GLU A 73 8.967 6.389 0.534 1.00 4.67 O ATOM 0 H GLU A 73 3.222 6.724 1.241 1.00 2.75 H new ATOM 0 HA GLU A 73 4.820 5.475 0.443 1.00 3.33 H new ATOM 0 HB2 GLU A 73 5.968 6.379 3.026 1.00 3.77 H new ATOM 0 HB3 GLU A 73 6.801 5.110 2.150 1.00 3.77 H new ATOM 0 HG2 GLU A 73 5.980 7.506 0.544 1.00 4.07 H new ATOM 0 HG3 GLU A 73 7.246 7.761 1.728 1.00 4.07 H new ATOM 1128 N ASP A 74 4.121 3.523 2.989 1.00 4.48 N ATOM 1129 CA ASP A 74 3.512 2.241 3.379 1.00 4.80 C ATOM 1130 C ASP A 74 2.662 1.574 2.279 1.00 3.79 C ATOM 1131 O ASP A 74 2.668 0.353 2.115 1.00 4.46 O ATOM 1132 CB ASP A 74 2.643 2.492 4.620 1.00 5.99 C ATOM 1133 CG ASP A 74 1.777 1.287 4.972 1.00 7.04 C ATOM 1134 OD1 ASP A 74 0.775 1.089 4.251 1.00 7.38 O ATOM 1135 OD2 ASP A 74 2.102 0.610 5.969 1.00 8.12 O ATOM 0 H ASP A 74 4.234 4.141 3.793 1.00 4.48 H new ATOM 0 HA ASP A 74 4.327 1.544 3.576 1.00 4.80 H new ATOM 0 HB2 ASP A 74 3.284 2.736 5.467 1.00 5.99 H new ATOM 0 HB3 ASP A 74 2.004 3.357 4.445 1.00 5.99 H new ATOM 1140 N TYR A 75 1.893 2.376 1.538 1.00 2.67 N ATOM 1141 CA TYR A 75 1.131 1.966 0.376 1.00 2.29 C ATOM 1142 C TYR A 75 -0.204 1.350 0.762 1.00 2.25 C ATOM 1143 O TYR A 75 -1.224 1.925 0.385 1.00 3.26 O ATOM 1144 CB TYR A 75 1.974 1.102 -0.569 1.00 2.54 C ATOM 1145 CG TYR A 75 1.580 1.191 -2.028 1.00 2.43 C ATOM 1146 CD1 TYR A 75 0.240 1.022 -2.426 1.00 2.99 C ATOM 1147 CD2 TYR A 75 2.572 1.404 -3.003 1.00 3.83 C ATOM 1148 CE1 TYR A 75 -0.107 1.083 -3.781 1.00 4.67 C ATOM 1149 CE2 TYR A 75 2.228 1.419 -4.364 1.00 5.14 C ATOM 1150 CZ TYR A 75 0.887 1.258 -4.755 1.00 5.52 C ATOM 1151 OH TYR A 75 0.555 1.213 -6.076 1.00 7.32 O ATOM 0 H TYR A 75 1.786 3.368 1.748 1.00 2.67 H new ATOM 0 HA TYR A 75 0.874 2.858 -0.196 1.00 2.29 H new ATOM 0 HB2 TYR A 75 3.020 1.394 -0.471 1.00 2.54 H new ATOM 0 HB3 TYR A 75 1.902 0.062 -0.250 1.00 2.54 H new ATOM 0 HD1 TYR A 75 -0.523 0.845 -1.683 1.00 2.99 H new ATOM 0 HD2 TYR A 75 3.599 1.556 -2.704 1.00 3.83 H new ATOM 0 HE1 TYR A 75 -1.142 0.995 -4.077 1.00 4.67 H new ATOM 0 HE2 TYR A 75 2.995 1.554 -5.112 1.00 5.14 H new ATOM 0 HH TYR A 75 1.358 1.353 -6.620 1.00 7.32 H new ATOM 1161 N ALA A 76 -0.187 0.206 1.461 1.00 1.75 N ATOM 1162 CA ALA A 76 -1.337 -0.511 2.021 1.00 2.08 C ATOM 1163 C ALA A 76 -1.448 -1.961 1.573 1.00 2.01 C ATOM 1164 O ALA A 76 -1.071 -2.884 2.293 1.00 2.47 O ATOM 1165 CB ALA A 76 -2.674 0.193 1.775 1.00 3.12 C ATOM 0 H ALA A 76 0.690 -0.273 1.662 1.00 1.75 H new ATOM 0 HA ALA A 76 -1.130 -0.506 3.091 1.00 2.08 H new ATOM 0 HB1 ALA A 76 -3.480 -0.393 2.216 1.00 3.12 H new ATOM 0 HB2 ALA A 76 -2.653 1.183 2.231 1.00 3.12 H new ATOM 0 HB3 ALA A 76 -2.842 0.291 0.702 1.00 3.12 H new ATOM 1171 N GLY A 77 -2.144 -2.163 0.457 1.00 2.98 N ATOM 1172 CA GLY A 77 -2.899 -3.377 0.253 1.00 3.88 C ATOM 1173 C GLY A 77 -3.860 -3.225 -0.923 1.00 5.40 C ATOM 1174 O GLY A 77 -3.475 -2.839 -2.020 1.00 7.22 O ATOM 0 H GLY A 77 -2.195 -1.497 -0.314 1.00 2.98 H new ATOM 0 HA2 GLY A 77 -2.218 -4.208 0.067 1.00 3.88 H new ATOM 0 HA3 GLY A 77 -3.458 -3.619 1.157 1.00 3.88 H new ATOM 1178 N SER A 78 -5.123 -3.578 -0.727 1.00 5.17 N ATOM 1179 CA SER A 78 -6.149 -3.586 -1.774 1.00 6.70 C ATOM 1180 C SER A 78 -5.953 -4.679 -2.837 1.00 6.91 C ATOM 1181 O SER A 78 -6.950 -5.112 -3.403 1.00 8.25 O ATOM 1182 CB SER A 78 -6.312 -2.211 -2.440 1.00 7.36 C ATOM 1183 OG SER A 78 -7.600 -1.673 -2.204 1.00 8.45 O ATOM 0 H SER A 78 -5.476 -3.874 0.183 1.00 5.17 H new ATOM 0 HA SER A 78 -7.072 -3.828 -1.248 1.00 6.70 H new ATOM 0 HB2 SER A 78 -5.554 -1.527 -2.057 1.00 7.36 H new ATOM 0 HB3 SER A 78 -6.145 -2.303 -3.513 1.00 7.36 H new ATOM 0 HG SER A 78 -7.657 -1.354 -1.279 1.00 8.45 H new ATOM 1189 N ASP A 79 -4.709 -5.095 -3.120 1.00 5.98 N ATOM 1190 CA ASP A 79 -4.370 -6.201 -4.020 1.00 6.28 C ATOM 1191 C ASP A 79 -3.050 -6.827 -3.538 1.00 4.62 C ATOM 1192 O ASP A 79 -2.066 -6.875 -4.275 1.00 5.22 O ATOM 1193 CB ASP A 79 -4.227 -5.707 -5.473 1.00 8.11 C ATOM 1194 CG ASP A 79 -5.534 -5.309 -6.140 1.00 9.67 C ATOM 1195 OD1 ASP A 79 -6.336 -6.223 -6.415 1.00 10.08 O ATOM 1196 OD2 ASP A 79 -5.664 -4.094 -6.417 1.00 10.83 O ATOM 0 H ASP A 79 -3.885 -4.653 -2.713 1.00 5.98 H new ATOM 0 HA ASP A 79 -5.169 -6.943 -4.003 1.00 6.28 H new ATOM 0 HB2 ASP A 79 -3.552 -4.851 -5.487 1.00 8.11 H new ATOM 0 HB3 ASP A 79 -3.757 -6.492 -6.065 1.00 8.11 H new ATOM 1201 N GLY A 80 -3.012 -7.215 -2.255 1.00 3.25 N ATOM 1202 CA GLY A 80 -1.856 -7.773 -1.564 1.00 2.54 C ATOM 1203 C GLY A 80 -0.635 -6.922 -1.854 1.00 2.46 C ATOM 1204 O GLY A 80 0.404 -7.441 -2.251 1.00 2.55 O ATOM 0 H GLY A 80 -3.829 -7.142 -1.648 1.00 3.25 H new ATOM 0 HA2 GLY A 80 -2.042 -7.807 -0.491 1.00 2.54 H new ATOM 0 HA3 GLY A 80 -1.684 -8.799 -1.891 1.00 2.54 H new ATOM 1208 N ASN A 81 -0.819 -5.606 -1.705 1.00 2.42 N ATOM 1209 CA ASN A 81 0.075 -4.571 -2.186 1.00 2.44 C ATOM 1210 C ASN A 81 0.910 -4.091 -1.016 1.00 2.72 C ATOM 1211 O ASN A 81 0.692 -2.991 -0.511 1.00 3.42 O ATOM 1212 CB ASN A 81 -0.718 -3.395 -2.775 1.00 2.35 C ATOM 1213 CG ASN A 81 0.136 -2.364 -3.518 1.00 2.81 C ATOM 1214 OD1 ASN A 81 -0.164 -2.037 -4.662 1.00 3.50 O ATOM 1215 ND2 ASN A 81 1.185 -1.826 -2.909 1.00 2.94 N ATOM 0 H ASN A 81 -1.634 -5.226 -1.223 1.00 2.42 H new ATOM 0 HA ASN A 81 0.711 -4.974 -2.974 1.00 2.44 H new ATOM 0 HB2 ASN A 81 -1.470 -3.787 -3.460 1.00 2.35 H new ATOM 0 HB3 ASN A 81 -1.252 -2.893 -1.968 1.00 2.35 H new ATOM 0 HD21 ASN A 81 1.754 -1.131 -3.392 1.00 2.94 H new ATOM 0 HD22 ASN A 81 1.422 -2.108 -1.958 1.00 2.94 H new ATOM 1222 N ILE A 82 1.843 -4.910 -0.559 1.00 2.21 N ATOM 1223 CA ILE A 82 2.593 -4.585 0.635 1.00 2.24 C ATOM 1224 C ILE A 82 3.975 -4.144 0.181 1.00 2.07 C ATOM 1225 O ILE A 82 4.456 -4.586 -0.867 1.00 1.86 O ATOM 1226 CB ILE A 82 2.602 -5.751 1.646 1.00 2.24 C ATOM 1227 CG1 ILE A 82 1.505 -6.814 1.432 1.00 2.42 C ATOM 1228 CG2 ILE A 82 2.453 -5.162 3.054 1.00 3.09 C ATOM 1229 CD1 ILE A 82 0.073 -6.329 1.695 1.00 3.44 C ATOM 0 H ILE A 82 2.095 -5.797 -0.995 1.00 2.21 H new ATOM 0 HA ILE A 82 2.125 -3.771 1.188 1.00 2.24 H new ATOM 0 HB ILE A 82 3.547 -6.274 1.502 1.00 2.24 H new ATOM 0 HG12 ILE A 82 1.567 -7.177 0.406 1.00 2.42 H new ATOM 0 HG13 ILE A 82 1.711 -7.663 2.084 1.00 2.42 H new ATOM 0 HG21 ILE A 82 2.457 -5.968 3.788 1.00 3.09 H new ATOM 0 HG22 ILE A 82 3.283 -4.485 3.255 1.00 3.09 H new ATOM 0 HG23 ILE A 82 1.513 -4.614 3.122 1.00 3.09 H new ATOM 0 HD11 ILE A 82 -0.626 -7.146 1.518 1.00 3.44 H new ATOM 0 HD12 ILE A 82 -0.014 -5.995 2.729 1.00 3.44 H new ATOM 0 HD13 ILE A 82 -0.160 -5.501 1.025 1.00 3.44 H new ATOM 1241 N GLU A 83 4.580 -3.231 0.937 1.00 2.21 N ATOM 1242 CA GLU A 83 5.893 -2.714 0.658 1.00 2.16 C ATOM 1243 C GLU A 83 6.829 -3.070 1.815 1.00 2.25 C ATOM 1244 O GLU A 83 6.385 -3.228 2.955 1.00 2.41 O ATOM 1245 CB GLU A 83 5.772 -1.225 0.345 1.00 2.36 C ATOM 1246 CG GLU A 83 5.668 -0.361 1.601 1.00 2.60 C ATOM 1247 CD GLU A 83 7.050 -0.087 2.178 1.00 2.88 C ATOM 1248 OE1 GLU A 83 7.917 0.309 1.372 1.00 3.79 O ATOM 1249 OE2 GLU A 83 7.250 -0.346 3.386 1.00 2.99 O ATOM 0 H GLU A 83 4.154 -2.831 1.773 1.00 2.21 H new ATOM 0 HA GLU A 83 6.344 -3.168 -0.224 1.00 2.16 H new ATOM 0 HB2 GLU A 83 6.638 -0.909 -0.237 1.00 2.36 H new ATOM 0 HB3 GLU A 83 4.893 -1.060 -0.278 1.00 2.36 H new ATOM 0 HG2 GLU A 83 5.175 0.581 1.361 1.00 2.60 H new ATOM 0 HG3 GLU A 83 5.050 -0.864 2.345 1.00 2.60 H new ATOM 1256 N LEU A 84 8.095 -3.332 1.499 1.00 2.10 N ATOM 1257 CA LEU A 84 9.099 -3.777 2.453 1.00 2.03 C ATOM 1258 C LEU A 84 10.467 -3.228 2.061 1.00 1.88 C ATOM 1259 O LEU A 84 10.686 -2.923 0.894 1.00 1.82 O ATOM 1260 CB LEU A 84 9.093 -5.309 2.601 1.00 1.83 C ATOM 1261 CG LEU A 84 8.393 -6.074 1.456 1.00 2.19 C ATOM 1262 CD1 LEU A 84 9.236 -7.265 1.033 1.00 2.35 C ATOM 1263 CD2 LEU A 84 7.003 -6.546 1.901 1.00 2.79 C ATOM 0 H LEU A 84 8.456 -3.238 0.550 1.00 2.10 H new ATOM 0 HA LEU A 84 8.854 -3.380 3.438 1.00 2.03 H new ATOM 0 HB2 LEU A 84 10.124 -5.656 2.672 1.00 1.83 H new ATOM 0 HB3 LEU A 84 8.605 -5.566 3.541 1.00 1.83 H new ATOM 0 HG LEU A 84 8.278 -5.401 0.606 1.00 2.19 H new ATOM 0 HD11 LEU A 84 8.734 -7.798 0.225 1.00 2.35 H new ATOM 0 HD12 LEU A 84 10.210 -6.917 0.688 1.00 2.35 H new ATOM 0 HD13 LEU A 84 9.370 -7.936 1.882 1.00 2.35 H new ATOM 0 HD21 LEU A 84 6.522 -7.083 1.084 1.00 2.79 H new ATOM 0 HD22 LEU A 84 7.102 -7.208 2.762 1.00 2.79 H new ATOM 0 HD23 LEU A 84 6.396 -5.683 2.174 1.00 2.79 H new ATOM 1275 N THR A 85 11.394 -3.133 3.016 1.00 1.88 N ATOM 1276 CA THR A 85 12.742 -2.622 2.808 1.00 1.85 C ATOM 1277 C THR A 85 13.643 -3.828 2.617 1.00 1.61 C ATOM 1278 O THR A 85 13.538 -4.767 3.404 1.00 1.51 O ATOM 1279 CB THR A 85 13.209 -1.743 3.994 1.00 2.11 C ATOM 1280 OG1 THR A 85 13.928 -0.630 3.500 1.00 2.92 O ATOM 1281 CG2 THR A 85 14.081 -2.423 5.058 1.00 1.77 C ATOM 0 H THR A 85 11.219 -3.418 3.980 1.00 1.88 H new ATOM 0 HA THR A 85 12.776 -1.975 1.931 1.00 1.85 H new ATOM 0 HB THR A 85 12.281 -1.475 4.499 1.00 2.11 H new ATOM 0 HG1 THR A 85 14.223 -0.072 4.250 1.00 2.92 H new ATOM 0 HG21 THR A 85 14.340 -1.701 5.832 1.00 1.77 H new ATOM 0 HG22 THR A 85 13.531 -3.251 5.504 1.00 1.77 H new ATOM 0 HG23 THR A 85 14.992 -2.801 4.594 1.00 1.77 H new ATOM 1289 N ILE A 86 14.516 -3.809 1.607 1.00 1.57 N ATOM 1290 CA ILE A 86 15.514 -4.858 1.417 1.00 1.40 C ATOM 1291 C ILE A 86 16.836 -4.379 2.000 1.00 1.39 C ATOM 1292 O ILE A 86 17.470 -3.477 1.458 1.00 1.65 O ATOM 1293 CB ILE A 86 15.669 -5.320 -0.051 1.00 1.41 C ATOM 1294 CG1 ILE A 86 15.074 -4.378 -1.106 1.00 1.64 C ATOM 1295 CG2 ILE A 86 15.042 -6.710 -0.220 1.00 1.52 C ATOM 1296 CD1 ILE A 86 15.922 -3.119 -1.310 1.00 2.26 C ATOM 0 H ILE A 86 14.549 -3.071 0.904 1.00 1.57 H new ATOM 0 HA ILE A 86 15.169 -5.747 1.945 1.00 1.40 H new ATOM 0 HB ILE A 86 16.744 -5.328 -0.232 1.00 1.41 H new ATOM 0 HG12 ILE A 86 14.983 -4.909 -2.054 1.00 1.64 H new ATOM 0 HG13 ILE A 86 14.067 -4.090 -0.805 1.00 1.64 H new ATOM 0 HG21 ILE A 86 15.151 -7.035 -1.255 1.00 1.52 H new ATOM 0 HG22 ILE A 86 15.545 -7.418 0.438 1.00 1.52 H new ATOM 0 HG23 ILE A 86 13.983 -6.665 0.036 1.00 1.52 H new ATOM 0 HD11 ILE A 86 15.458 -2.486 -2.066 1.00 2.26 H new ATOM 0 HD12 ILE A 86 15.991 -2.571 -0.371 1.00 2.26 H new ATOM 0 HD13 ILE A 86 16.922 -3.403 -1.639 1.00 2.26 H new ATOM 1308 N THR A 87 17.258 -4.997 3.101 1.00 1.17 N ATOM 1309 CA THR A 87 18.572 -4.770 3.681 1.00 1.20 C ATOM 1310 C THR A 87 19.491 -5.910 3.229 1.00 1.07 C ATOM 1311 O THR A 87 19.064 -7.066 3.186 1.00 1.03 O ATOM 1312 CB THR A 87 18.442 -4.674 5.208 1.00 1.24 C ATOM 1313 OG1 THR A 87 17.421 -3.751 5.533 1.00 1.74 O ATOM 1314 CG2 THR A 87 19.740 -4.214 5.878 1.00 1.89 C ATOM 0 H THR A 87 16.692 -5.672 3.616 1.00 1.17 H new ATOM 0 HA THR A 87 19.008 -3.830 3.344 1.00 1.20 H new ATOM 0 HB THR A 87 18.206 -5.673 5.575 1.00 1.24 H new ATOM 0 HG1 THR A 87 17.334 -3.689 6.507 1.00 1.74 H new ATOM 0 HG21 THR A 87 19.594 -4.163 6.957 1.00 1.89 H new ATOM 0 HG22 THR A 87 20.537 -4.923 5.653 1.00 1.89 H new ATOM 0 HG23 THR A 87 20.014 -3.228 5.502 1.00 1.89 H new ATOM 1322 N GLY A 88 20.733 -5.573 2.861 1.00 1.20 N ATOM 1323 CA GLY A 88 21.768 -6.527 2.474 1.00 1.22 C ATOM 1324 C GLY A 88 22.037 -6.532 0.966 1.00 1.34 C ATOM 1325 O GLY A 88 23.141 -6.862 0.539 1.00 1.58 O ATOM 0 H GLY A 88 21.049 -4.604 2.825 1.00 1.20 H new ATOM 0 HA2 GLY A 88 22.691 -6.289 3.002 1.00 1.22 H new ATOM 0 HA3 GLY A 88 21.470 -7.527 2.789 1.00 1.22 H new ATOM 1329 N MET A 89 21.035 -6.192 0.151 1.00 1.27 N ATOM 1330 CA MET A 89 21.166 -6.181 -1.298 1.00 1.45 C ATOM 1331 C MET A 89 21.978 -4.965 -1.755 1.00 1.58 C ATOM 1332 O MET A 89 21.586 -3.829 -1.497 1.00 1.68 O ATOM 1333 CB MET A 89 19.767 -6.221 -1.924 1.00 1.61 C ATOM 1334 CG MET A 89 19.798 -6.073 -3.455 1.00 2.51 C ATOM 1335 SD MET A 89 19.080 -4.528 -4.063 1.00 2.65 S ATOM 1336 CE MET A 89 17.337 -4.900 -3.772 1.00 2.76 C ATOM 0 H MET A 89 20.111 -5.917 0.484 1.00 1.27 H new ATOM 0 HA MET A 89 21.714 -7.062 -1.633 1.00 1.45 H new ATOM 0 HB2 MET A 89 19.284 -7.163 -1.664 1.00 1.61 H new ATOM 0 HB3 MET A 89 19.160 -5.422 -1.498 1.00 1.61 H new ATOM 0 HG2 MET A 89 20.832 -6.139 -3.795 1.00 2.51 H new ATOM 0 HG3 MET A 89 19.262 -6.911 -3.901 1.00 2.51 H new ATOM 0 HE1 MET A 89 16.745 -3.994 -3.902 1.00 2.76 H new ATOM 0 HE2 MET A 89 17.003 -5.657 -4.482 1.00 2.76 H new ATOM 0 HE3 MET A 89 17.209 -5.274 -2.756 1.00 2.76 H new ATOM 1346 N THR A 90 23.074 -5.220 -2.480 1.00 1.78 N ATOM 1347 CA THR A 90 23.961 -4.192 -3.013 1.00 2.03 C ATOM 1348 C THR A 90 24.386 -4.563 -4.441 1.00 2.22 C ATOM 1349 O THR A 90 25.561 -4.451 -4.781 1.00 2.54 O ATOM 1350 CB THR A 90 25.170 -4.030 -2.064 1.00 2.23 C ATOM 1351 OG1 THR A 90 24.731 -4.030 -0.719 1.00 2.90 O ATOM 1352 CG2 THR A 90 25.947 -2.727 -2.290 1.00 2.13 C ATOM 0 H THR A 90 23.370 -6.167 -2.714 1.00 1.78 H new ATOM 0 HA THR A 90 23.447 -3.233 -3.069 1.00 2.03 H new ATOM 0 HB THR A 90 25.831 -4.870 -2.277 1.00 2.23 H new ATOM 0 HG1 THR A 90 25.502 -3.929 -0.123 1.00 2.90 H new ATOM 0 HG21 THR A 90 26.782 -2.676 -1.592 1.00 2.13 H new ATOM 0 HG22 THR A 90 26.326 -2.702 -3.312 1.00 2.13 H new ATOM 0 HG23 THR A 90 25.286 -1.876 -2.127 1.00 2.13 H new ATOM 1360 N CYS A 91 23.454 -5.017 -5.294 1.00 2.13 N ATOM 1361 CA CYS A 91 23.769 -5.290 -6.698 1.00 2.32 C ATOM 1362 C CYS A 91 22.507 -5.457 -7.552 1.00 1.96 C ATOM 1363 O CYS A 91 21.538 -6.084 -7.122 1.00 1.71 O ATOM 1364 CB CYS A 91 24.648 -6.540 -6.839 1.00 2.82 C ATOM 1365 SG CYS A 91 25.338 -6.513 -8.507 1.00 3.55 S ATOM 0 H CYS A 91 22.485 -5.200 -5.035 1.00 2.13 H new ATOM 0 HA CYS A 91 24.318 -4.422 -7.063 1.00 2.32 H new ATOM 0 HB2 CYS A 91 25.442 -6.539 -6.093 1.00 2.82 H new ATOM 0 HB3 CYS A 91 24.061 -7.444 -6.679 1.00 2.82 H new ATOM 0 HG CYS A 91 26.096 -7.555 -8.680 1.00 3.55 H new ATOM 1371 N ALA A 92 22.519 -4.933 -8.782 1.00 2.13 N ATOM 1372 CA ALA A 92 21.415 -5.089 -9.724 1.00 2.24 C ATOM 1373 C ALA A 92 21.192 -6.565 -10.085 1.00 1.98 C ATOM 1374 O ALA A 92 20.057 -7.003 -10.281 1.00 2.04 O ATOM 1375 CB ALA A 92 21.675 -4.241 -10.969 1.00 2.84 C ATOM 0 H ALA A 92 23.299 -4.388 -9.150 1.00 2.13 H new ATOM 0 HA ALA A 92 20.499 -4.738 -9.250 1.00 2.24 H new ATOM 0 HB1 ALA A 92 20.849 -4.360 -11.670 1.00 2.84 H new ATOM 0 HB2 ALA A 92 21.760 -3.192 -10.684 1.00 2.84 H new ATOM 0 HB3 ALA A 92 22.602 -4.565 -11.443 1.00 2.84 H new ATOM 1381 N SER A 93 22.264 -7.359 -10.140 1.00 1.98 N ATOM 1382 CA SER A 93 22.152 -8.803 -10.281 1.00 2.06 C ATOM 1383 C SER A 93 21.237 -9.367 -9.191 1.00 1.85 C ATOM 1384 O SER A 93 20.350 -10.180 -9.458 1.00 1.78 O ATOM 1385 CB SER A 93 23.553 -9.417 -10.189 1.00 2.32 C ATOM 1386 OG SER A 93 24.458 -8.658 -10.968 1.00 2.54 O ATOM 0 H SER A 93 23.224 -7.018 -10.088 1.00 1.98 H new ATOM 0 HA SER A 93 21.714 -9.051 -11.248 1.00 2.06 H new ATOM 0 HB2 SER A 93 23.883 -9.440 -9.150 1.00 2.32 H new ATOM 0 HB3 SER A 93 23.532 -10.449 -10.540 1.00 2.32 H new ATOM 0 HG SER A 93 24.904 -7.996 -10.399 1.00 2.54 H new ATOM 1392 N CYS A 94 21.451 -8.913 -7.952 1.00 1.76 N ATOM 1393 CA CYS A 94 20.667 -9.364 -6.816 1.00 1.57 C ATOM 1394 C CYS A 94 19.222 -8.926 -6.991 1.00 1.43 C ATOM 1395 O CYS A 94 18.340 -9.752 -6.797 1.00 1.30 O ATOM 1396 CB CYS A 94 21.247 -8.901 -5.477 1.00 1.63 C ATOM 1397 SG CYS A 94 22.835 -9.712 -5.177 1.00 2.53 S ATOM 0 H CYS A 94 22.169 -8.228 -7.717 1.00 1.76 H new ATOM 0 HA CYS A 94 20.706 -10.453 -6.788 1.00 1.57 H new ATOM 0 HB2 CYS A 94 21.377 -7.819 -5.483 1.00 1.63 H new ATOM 0 HB3 CYS A 94 20.552 -9.134 -4.670 1.00 1.63 H new ATOM 0 HG CYS A 94 23.319 -9.310 -4.039 1.00 2.53 H new ATOM 1403 N VAL A 95 18.972 -7.671 -7.392 1.00 1.53 N ATOM 1404 CA VAL A 95 17.625 -7.233 -7.775 1.00 1.55 C ATOM 1405 C VAL A 95 16.968 -8.253 -8.709 1.00 1.53 C ATOM 1406 O VAL A 95 15.938 -8.825 -8.364 1.00 1.46 O ATOM 1407 CB VAL A 95 17.631 -5.822 -8.403 1.00 1.77 C ATOM 1408 CG1 VAL A 95 16.314 -5.496 -9.123 1.00 1.89 C ATOM 1409 CG2 VAL A 95 17.897 -4.764 -7.336 1.00 1.95 C ATOM 0 H VAL A 95 19.684 -6.944 -7.459 1.00 1.53 H new ATOM 0 HA VAL A 95 17.030 -7.171 -6.863 1.00 1.55 H new ATOM 0 HB VAL A 95 18.430 -5.813 -9.144 1.00 1.77 H new ATOM 0 HG11 VAL A 95 16.370 -4.493 -9.547 1.00 1.89 H new ATOM 0 HG12 VAL A 95 16.147 -6.219 -9.922 1.00 1.89 H new ATOM 0 HG13 VAL A 95 15.489 -5.544 -8.412 1.00 1.89 H new ATOM 0 HG21 VAL A 95 17.898 -3.776 -7.796 1.00 1.95 H new ATOM 0 HG22 VAL A 95 17.117 -4.810 -6.576 1.00 1.95 H new ATOM 0 HG23 VAL A 95 18.866 -4.950 -6.873 1.00 1.95 H new ATOM 1419 N HIS A 96 17.565 -8.500 -9.878 1.00 1.59 N ATOM 1420 CA HIS A 96 16.968 -9.374 -10.886 1.00 1.56 C ATOM 1421 C HIS A 96 16.692 -10.765 -10.292 1.00 1.43 C ATOM 1422 O HIS A 96 15.619 -11.337 -10.461 1.00 1.25 O ATOM 1423 CB HIS A 96 17.900 -9.431 -12.106 1.00 1.73 C ATOM 1424 CG HIS A 96 17.304 -9.957 -13.395 1.00 2.52 C ATOM 1425 ND1 HIS A 96 17.902 -9.851 -14.632 1.00 3.33 N ATOM 1426 CD2 HIS A 96 16.090 -10.569 -13.584 1.00 3.27 C ATOM 1427 CE1 HIS A 96 17.074 -10.398 -15.538 1.00 3.96 C ATOM 1428 NE2 HIS A 96 15.960 -10.855 -14.946 1.00 4.01 N ATOM 0 H HIS A 96 18.465 -8.104 -10.149 1.00 1.59 H new ATOM 0 HA HIS A 96 16.006 -8.978 -11.211 1.00 1.56 H new ATOM 0 HB2 HIS A 96 18.279 -8.426 -12.292 1.00 1.73 H new ATOM 0 HB3 HIS A 96 18.758 -10.053 -11.850 1.00 1.73 H new ATOM 0 HD2 HIS A 96 15.364 -10.790 -12.816 1.00 3.27 H new ATOM 0 HE1 HIS A 96 17.277 -10.461 -16.597 1.00 3.96 H new ATOM 0 HE2 HIS A 96 15.174 -11.319 -15.400 1.00 4.01 H new ATOM 1436 N ASN A 97 17.665 -11.303 -9.560 1.00 1.53 N ATOM 1437 CA ASN A 97 17.566 -12.605 -8.909 1.00 1.47 C ATOM 1438 C ASN A 97 16.403 -12.639 -7.916 1.00 1.31 C ATOM 1439 O ASN A 97 15.583 -13.557 -7.946 1.00 1.23 O ATOM 1440 CB ASN A 97 18.897 -12.918 -8.222 1.00 1.57 C ATOM 1441 CG ASN A 97 18.767 -14.003 -7.157 1.00 1.49 C ATOM 1442 OD1 ASN A 97 18.850 -15.190 -7.450 1.00 2.24 O ATOM 1443 ND2 ASN A 97 18.565 -13.601 -5.905 1.00 1.41 N ATOM 0 H ASN A 97 18.559 -10.838 -9.401 1.00 1.53 H new ATOM 0 HA ASN A 97 17.362 -13.370 -9.658 1.00 1.47 H new ATOM 0 HB2 ASN A 97 19.623 -13.235 -8.971 1.00 1.57 H new ATOM 0 HB3 ASN A 97 19.288 -12.009 -7.764 1.00 1.57 H new ATOM 0 HD21 ASN A 97 18.475 -14.288 -5.157 1.00 1.41 H new ATOM 0 HD22 ASN A 97 18.501 -12.605 -5.693 1.00 1.41 H new ATOM 1450 N ILE A 98 16.341 -11.647 -7.027 1.00 1.32 N ATOM 1451 CA ILE A 98 15.263 -11.498 -6.063 1.00 1.21 C ATOM 1452 C ILE A 98 13.942 -11.485 -6.829 1.00 1.12 C ATOM 1453 O ILE A 98 13.035 -12.241 -6.506 1.00 1.00 O ATOM 1454 CB ILE A 98 15.458 -10.212 -5.235 1.00 1.29 C ATOM 1455 CG1 ILE A 98 16.639 -10.331 -4.257 1.00 1.38 C ATOM 1456 CG2 ILE A 98 14.183 -9.875 -4.456 1.00 1.26 C ATOM 1457 CD1 ILE A 98 17.126 -8.940 -3.822 1.00 1.24 C ATOM 0 H ILE A 98 17.050 -10.917 -6.960 1.00 1.32 H new ATOM 0 HA ILE A 98 15.260 -12.329 -5.358 1.00 1.21 H new ATOM 0 HB ILE A 98 15.679 -9.410 -5.939 1.00 1.29 H new ATOM 0 HG12 ILE A 98 16.336 -10.906 -3.382 1.00 1.38 H new ATOM 0 HG13 ILE A 98 17.456 -10.876 -4.730 1.00 1.38 H new ATOM 0 HG21 ILE A 98 14.340 -8.964 -3.878 1.00 1.26 H new ATOM 0 HG22 ILE A 98 13.359 -9.724 -5.154 1.00 1.26 H new ATOM 0 HG23 ILE A 98 13.941 -10.696 -3.781 1.00 1.26 H new ATOM 0 HD11 ILE A 98 17.962 -9.047 -3.130 1.00 1.24 H new ATOM 0 HD12 ILE A 98 17.449 -8.377 -4.698 1.00 1.24 H new ATOM 0 HD13 ILE A 98 16.313 -8.408 -3.329 1.00 1.24 H new ATOM 1469 N GLU A 99 13.850 -10.648 -7.861 1.00 1.19 N ATOM 1470 CA GLU A 99 12.654 -10.495 -8.670 1.00 1.09 C ATOM 1471 C GLU A 99 12.253 -11.834 -9.280 1.00 0.97 C ATOM 1472 O GLU A 99 11.084 -12.205 -9.215 1.00 0.85 O ATOM 1473 CB GLU A 99 12.813 -9.360 -9.697 1.00 1.21 C ATOM 1474 CG GLU A 99 11.794 -8.249 -9.397 1.00 1.28 C ATOM 1475 CD GLU A 99 11.982 -7.012 -10.267 1.00 1.69 C ATOM 1476 OE1 GLU A 99 12.194 -7.205 -11.482 1.00 2.50 O ATOM 1477 OE2 GLU A 99 11.910 -5.901 -9.691 1.00 2.66 O ATOM 0 H GLU A 99 14.620 -10.050 -8.159 1.00 1.19 H new ATOM 0 HA GLU A 99 11.825 -10.188 -8.033 1.00 1.09 H new ATOM 0 HB2 GLU A 99 13.826 -8.959 -9.658 1.00 1.21 H new ATOM 0 HB3 GLU A 99 12.661 -9.744 -10.706 1.00 1.21 H new ATOM 0 HG2 GLU A 99 10.787 -8.639 -9.544 1.00 1.28 H new ATOM 0 HG3 GLU A 99 11.875 -7.964 -8.348 1.00 1.28 H new ATOM 1484 N SER A 100 13.215 -12.590 -9.813 1.00 1.07 N ATOM 1485 CA SER A 100 12.960 -13.935 -10.303 1.00 1.08 C ATOM 1486 C SER A 100 12.347 -14.788 -9.186 1.00 0.96 C ATOM 1487 O SER A 100 11.255 -15.329 -9.348 1.00 0.98 O ATOM 1488 CB SER A 100 14.252 -14.541 -10.868 1.00 1.32 C ATOM 1489 OG SER A 100 13.982 -15.755 -11.543 1.00 2.06 O ATOM 0 H SER A 100 14.183 -12.285 -9.914 1.00 1.07 H new ATOM 0 HA SER A 100 12.238 -13.904 -11.119 1.00 1.08 H new ATOM 0 HB2 SER A 100 14.721 -13.835 -11.553 1.00 1.32 H new ATOM 0 HB3 SER A 100 14.960 -14.719 -10.059 1.00 1.32 H new ATOM 0 HG SER A 100 14.817 -16.125 -11.897 1.00 2.06 H new ATOM 1495 N LYS A 101 13.024 -14.885 -8.036 1.00 0.97 N ATOM 1496 CA LYS A 101 12.561 -15.668 -6.901 1.00 0.89 C ATOM 1497 C LYS A 101 11.158 -15.257 -6.435 1.00 0.80 C ATOM 1498 O LYS A 101 10.332 -16.118 -6.143 1.00 0.87 O ATOM 1499 CB LYS A 101 13.576 -15.552 -5.758 1.00 0.94 C ATOM 1500 CG LYS A 101 14.594 -16.702 -5.712 1.00 1.33 C ATOM 1501 CD LYS A 101 16.020 -16.213 -6.011 1.00 1.50 C ATOM 1502 CE LYS A 101 17.078 -17.318 -5.806 1.00 2.12 C ATOM 1503 NZ LYS A 101 16.903 -18.098 -4.558 1.00 3.55 N ATOM 0 H LYS A 101 13.915 -14.416 -7.873 1.00 0.97 H new ATOM 0 HA LYS A 101 12.483 -16.708 -7.218 1.00 0.89 H new ATOM 0 HB2 LYS A 101 14.113 -14.608 -5.856 1.00 0.94 H new ATOM 0 HB3 LYS A 101 13.039 -15.517 -4.810 1.00 0.94 H new ATOM 0 HG2 LYS A 101 14.569 -17.171 -4.728 1.00 1.33 H new ATOM 0 HG3 LYS A 101 14.312 -17.466 -6.436 1.00 1.33 H new ATOM 0 HD2 LYS A 101 16.069 -15.853 -7.039 1.00 1.50 H new ATOM 0 HD3 LYS A 101 16.253 -15.366 -5.365 1.00 1.50 H new ATOM 0 HE2 LYS A 101 17.045 -18.000 -6.656 1.00 2.12 H new ATOM 0 HE3 LYS A 101 18.068 -16.862 -5.801 1.00 2.12 H new ATOM 0 HZ1 LYS A 101 17.834 -18.385 -4.195 1.00 3.55 H new ATOM 0 HZ2 LYS A 101 16.420 -17.512 -3.847 1.00 3.55 H new ATOM 0 HZ3 LYS A 101 16.332 -18.945 -4.755 1.00 3.55 H new ATOM 1517 N LEU A 102 10.878 -13.958 -6.358 1.00 0.81 N ATOM 1518 CA LEU A 102 9.565 -13.460 -5.985 1.00 0.88 C ATOM 1519 C LEU A 102 8.558 -13.901 -7.036 1.00 0.85 C ATOM 1520 O LEU A 102 7.618 -14.621 -6.718 1.00 0.95 O ATOM 1521 CB LEU A 102 9.579 -11.934 -5.885 1.00 1.04 C ATOM 1522 CG LEU A 102 10.462 -11.408 -4.748 1.00 1.41 C ATOM 1523 CD1 LEU A 102 10.716 -9.936 -5.048 1.00 2.11 C ATOM 1524 CD2 LEU A 102 9.782 -11.525 -3.388 1.00 1.70 C ATOM 0 H LEU A 102 11.559 -13.224 -6.553 1.00 0.81 H new ATOM 0 HA LEU A 102 9.288 -13.863 -5.011 1.00 0.88 H new ATOM 0 HB2 LEU A 102 9.930 -11.518 -6.830 1.00 1.04 H new ATOM 0 HB3 LEU A 102 8.560 -11.577 -5.739 1.00 1.04 H new ATOM 0 HG LEU A 102 11.380 -11.994 -4.698 1.00 1.41 H new ATOM 0 HD11 LEU A 102 11.343 -9.508 -4.266 1.00 2.11 H new ATOM 0 HD12 LEU A 102 11.221 -9.842 -6.010 1.00 2.11 H new ATOM 0 HD13 LEU A 102 9.766 -9.403 -5.083 1.00 2.11 H new ATOM 0 HD21 LEU A 102 10.447 -11.140 -2.615 1.00 1.70 H new ATOM 0 HD22 LEU A 102 8.857 -10.948 -3.393 1.00 1.70 H new ATOM 0 HD23 LEU A 102 9.555 -12.571 -3.183 1.00 1.70 H new ATOM 1536 N THR A 103 8.779 -13.505 -8.293 1.00 0.81 N ATOM 1537 CA THR A 103 7.933 -13.849 -9.434 1.00 0.87 C ATOM 1538 C THR A 103 7.721 -15.366 -9.538 1.00 1.03 C ATOM 1539 O THR A 103 6.722 -15.823 -10.084 1.00 1.25 O ATOM 1540 CB THR A 103 8.522 -13.241 -10.716 1.00 0.88 C ATOM 1541 OG1 THR A 103 8.729 -11.856 -10.521 1.00 1.52 O ATOM 1542 CG2 THR A 103 7.580 -13.385 -11.914 1.00 1.70 C ATOM 0 H THR A 103 9.574 -12.920 -8.549 1.00 0.81 H new ATOM 0 HA THR A 103 6.942 -13.420 -9.288 1.00 0.87 H new ATOM 0 HB THR A 103 9.450 -13.774 -10.923 1.00 0.88 H new ATOM 0 HG1 THR A 103 9.619 -11.709 -10.139 1.00 1.52 H new ATOM 0 HG21 THR A 103 8.042 -12.940 -12.795 1.00 1.70 H new ATOM 0 HG22 THR A 103 7.387 -14.441 -12.100 1.00 1.70 H new ATOM 0 HG23 THR A 103 6.640 -12.876 -11.701 1.00 1.70 H new ATOM 1550 N ARG A 104 8.639 -16.153 -8.973 1.00 1.01 N ATOM 1551 CA ARG A 104 8.514 -17.608 -8.880 1.00 1.19 C ATOM 1552 C ARG A 104 7.373 -18.082 -7.960 1.00 1.39 C ATOM 1553 O ARG A 104 7.160 -19.291 -7.860 1.00 1.82 O ATOM 1554 CB ARG A 104 9.861 -18.215 -8.442 1.00 1.05 C ATOM 1555 CG ARG A 104 10.528 -19.039 -9.548 1.00 1.21 C ATOM 1556 CD ARG A 104 9.891 -20.424 -9.743 1.00 2.45 C ATOM 1557 NE ARG A 104 10.685 -21.478 -9.089 1.00 2.79 N ATOM 1558 CZ ARG A 104 10.619 -21.851 -7.799 1.00 4.10 C ATOM 1559 NH1 ARG A 104 9.676 -21.352 -6.993 1.00 5.03 N ATOM 1560 NH2 ARG A 104 11.518 -22.726 -7.327 1.00 5.27 N ATOM 0 H ARG A 104 9.500 -15.793 -8.562 1.00 1.01 H new ATOM 0 HA ARG A 104 8.248 -17.964 -9.875 1.00 1.19 H new ATOM 0 HB2 ARG A 104 10.533 -17.413 -8.137 1.00 1.05 H new ATOM 0 HB3 ARG A 104 9.702 -18.848 -7.569 1.00 1.05 H new ATOM 0 HG2 ARG A 104 10.474 -18.487 -10.486 1.00 1.21 H new ATOM 0 HG3 ARG A 104 11.585 -19.163 -9.312 1.00 1.21 H new ATOM 0 HD2 ARG A 104 8.880 -20.422 -9.335 1.00 2.45 H new ATOM 0 HD3 ARG A 104 9.804 -20.640 -10.808 1.00 2.45 H new ATOM 0 HE ARG A 104 11.354 -21.977 -9.675 1.00 2.79 H new ATOM 0 HH11 ARG A 104 8.998 -20.682 -7.355 1.00 5.03 H new ATOM 0 HH12 ARG A 104 9.635 -21.642 -6.016 1.00 5.03 H new ATOM 0 HH21 ARG A 104 12.239 -23.099 -7.944 1.00 5.27 H new ATOM 0 HH22 ARG A 104 11.481 -23.019 -6.351 1.00 5.27 H new ATOM 1574 N THR A 105 6.674 -17.172 -7.273 1.00 1.21 N ATOM 1575 CA THR A 105 5.521 -17.437 -6.432 1.00 1.42 C ATOM 1576 C THR A 105 4.252 -17.473 -7.293 1.00 1.50 C ATOM 1577 O THR A 105 4.162 -16.779 -8.299 1.00 1.52 O ATOM 1578 CB THR A 105 5.448 -16.317 -5.383 1.00 1.41 C ATOM 1579 OG1 THR A 105 6.690 -16.201 -4.726 1.00 1.77 O ATOM 1580 CG2 THR A 105 4.366 -16.549 -4.337 1.00 1.86 C ATOM 0 H THR A 105 6.917 -16.182 -7.296 1.00 1.21 H new ATOM 0 HA THR A 105 5.608 -18.403 -5.934 1.00 1.42 H new ATOM 0 HB THR A 105 5.199 -15.402 -5.921 1.00 1.41 H new ATOM 0 HG1 THR A 105 7.290 -15.637 -5.257 1.00 1.77 H new ATOM 0 HG21 THR A 105 4.365 -15.724 -3.625 1.00 1.86 H new ATOM 0 HG22 THR A 105 3.394 -16.607 -4.826 1.00 1.86 H new ATOM 0 HG23 THR A 105 4.564 -17.483 -3.810 1.00 1.86 H new ATOM 1588 N ASN A 106 3.255 -18.264 -6.888 1.00 1.63 N ATOM 1589 CA ASN A 106 1.994 -18.418 -7.608 1.00 1.72 C ATOM 1590 C ASN A 106 1.166 -17.131 -7.596 1.00 1.59 C ATOM 1591 O ASN A 106 0.734 -16.671 -8.648 1.00 1.50 O ATOM 1592 CB ASN A 106 1.184 -19.598 -7.038 1.00 2.03 C ATOM 1593 CG ASN A 106 0.933 -19.473 -5.536 1.00 2.48 C ATOM 1594 OD1 ASN A 106 1.870 -19.254 -4.776 1.00 3.17 O ATOM 1595 ND2 ASN A 106 -0.312 -19.576 -5.087 1.00 2.74 N ATOM 0 H ASN A 106 3.305 -18.823 -6.036 1.00 1.63 H new ATOM 0 HA ASN A 106 2.237 -18.634 -8.649 1.00 1.72 H new ATOM 0 HB2 ASN A 106 0.228 -19.661 -7.558 1.00 2.03 H new ATOM 0 HB3 ASN A 106 1.717 -20.528 -7.237 1.00 2.03 H new ATOM 0 HD21 ASN A 106 -0.505 -19.473 -4.091 1.00 2.74 H new ATOM 0 HD22 ASN A 106 -1.076 -19.759 -5.738 1.00 2.74 H new ATOM 1602 N GLY A 107 0.904 -16.568 -6.413 1.00 1.65 N ATOM 1603 CA GLY A 107 -0.034 -15.459 -6.279 1.00 1.62 C ATOM 1604 C GLY A 107 0.563 -14.113 -6.687 1.00 1.47 C ATOM 1605 O GLY A 107 -0.170 -13.160 -6.938 1.00 1.60 O ATOM 0 H GLY A 107 1.331 -16.865 -5.536 1.00 1.65 H new ATOM 0 HA2 GLY A 107 -0.913 -15.660 -6.891 1.00 1.62 H new ATOM 0 HA3 GLY A 107 -0.372 -15.401 -5.244 1.00 1.62 H new ATOM 1609 N ILE A 108 1.893 -13.983 -6.696 1.00 1.25 N ATOM 1610 CA ILE A 108 2.505 -12.697 -6.995 1.00 1.15 C ATOM 1611 C ILE A 108 2.306 -12.379 -8.479 1.00 1.15 C ATOM 1612 O ILE A 108 2.595 -13.220 -9.326 1.00 1.18 O ATOM 1613 CB ILE A 108 3.970 -12.658 -6.521 1.00 1.05 C ATOM 1614 CG1 ILE A 108 4.386 -11.289 -5.958 1.00 1.22 C ATOM 1615 CG2 ILE A 108 4.972 -13.110 -7.584 1.00 0.93 C ATOM 1616 CD1 ILE A 108 4.643 -10.199 -7.004 1.00 2.07 C ATOM 0 H ILE A 108 2.550 -14.739 -6.503 1.00 1.25 H new ATOM 0 HA ILE A 108 2.014 -11.900 -6.436 1.00 1.15 H new ATOM 0 HB ILE A 108 4.002 -13.384 -5.709 1.00 1.05 H new ATOM 0 HG12 ILE A 108 3.606 -10.942 -5.280 1.00 1.22 H new ATOM 0 HG13 ILE A 108 5.290 -11.419 -5.364 1.00 1.22 H new ATOM 0 HG21 ILE A 108 5.982 -13.056 -7.178 1.00 0.93 H new ATOM 0 HG22 ILE A 108 4.753 -14.137 -7.877 1.00 0.93 H new ATOM 0 HG23 ILE A 108 4.896 -12.460 -8.456 1.00 0.93 H new ATOM 0 HD11 ILE A 108 4.930 -9.274 -6.503 1.00 2.07 H new ATOM 0 HD12 ILE A 108 5.446 -10.515 -7.669 1.00 2.07 H new ATOM 0 HD13 ILE A 108 3.736 -10.031 -7.585 1.00 2.07 H new ATOM 1628 N THR A 109 1.808 -11.179 -8.793 1.00 1.18 N ATOM 1629 CA THR A 109 1.611 -10.752 -10.176 1.00 1.22 C ATOM 1630 C THR A 109 2.684 -9.763 -10.624 1.00 1.05 C ATOM 1631 O THR A 109 3.289 -9.964 -11.675 1.00 1.02 O ATOM 1632 CB THR A 109 0.185 -10.222 -10.366 1.00 1.60 C ATOM 1633 OG1 THR A 109 -0.736 -11.242 -10.041 1.00 2.04 O ATOM 1634 CG2 THR A 109 -0.071 -9.804 -11.817 1.00 2.11 C ATOM 0 H THR A 109 1.533 -10.483 -8.100 1.00 1.18 H new ATOM 0 HA THR A 109 1.725 -11.617 -10.829 1.00 1.22 H new ATOM 0 HB THR A 109 0.064 -9.354 -9.718 1.00 1.60 H new ATOM 0 HG1 THR A 109 -1.650 -10.908 -10.159 1.00 2.04 H new ATOM 0 HG21 THR A 109 -1.091 -9.434 -11.914 1.00 2.11 H new ATOM 0 HG22 THR A 109 0.629 -9.017 -12.098 1.00 2.11 H new ATOM 0 HG23 THR A 109 0.067 -10.663 -12.473 1.00 2.11 H new ATOM 1642 N TYR A 110 2.918 -8.691 -9.861 1.00 1.13 N ATOM 1643 CA TYR A 110 3.940 -7.715 -10.209 1.00 1.20 C ATOM 1644 C TYR A 110 4.678 -7.264 -8.956 1.00 1.23 C ATOM 1645 O TYR A 110 4.077 -6.671 -8.063 1.00 1.49 O ATOM 1646 CB TYR A 110 3.356 -6.574 -11.062 1.00 1.65 C ATOM 1647 CG TYR A 110 2.389 -5.577 -10.436 1.00 1.26 C ATOM 1648 CD1 TYR A 110 0.999 -5.808 -10.487 1.00 1.68 C ATOM 1649 CD2 TYR A 110 2.867 -4.329 -9.983 1.00 2.15 C ATOM 1650 CE1 TYR A 110 0.096 -4.798 -10.099 1.00 1.89 C ATOM 1651 CE2 TYR A 110 1.966 -3.345 -9.529 1.00 2.09 C ATOM 1652 CZ TYR A 110 0.579 -3.557 -9.650 1.00 1.46 C ATOM 1653 OH TYR A 110 -0.309 -2.636 -9.170 1.00 1.89 O ATOM 0 H TYR A 110 2.411 -8.482 -9.001 1.00 1.13 H new ATOM 0 HA TYR A 110 4.692 -8.177 -10.849 1.00 1.20 H new ATOM 0 HB2 TYR A 110 4.195 -6.005 -11.462 1.00 1.65 H new ATOM 0 HB3 TYR A 110 2.847 -7.031 -11.911 1.00 1.65 H new ATOM 0 HD1 TYR A 110 0.625 -6.763 -10.825 1.00 1.68 H new ATOM 0 HD2 TYR A 110 3.928 -4.127 -9.984 1.00 2.15 H new ATOM 0 HE1 TYR A 110 -0.968 -4.978 -10.147 1.00 1.89 H new ATOM 0 HE2 TYR A 110 2.338 -2.431 -9.090 1.00 2.09 H new ATOM 0 HH TYR A 110 0.173 -1.828 -8.896 1.00 1.89 H new ATOM 1663 N ALA A 111 5.973 -7.579 -8.875 1.00 1.06 N ATOM 1664 CA ALA A 111 6.865 -6.969 -7.901 1.00 1.14 C ATOM 1665 C ALA A 111 7.678 -5.874 -8.589 1.00 1.30 C ATOM 1666 O ALA A 111 7.965 -5.977 -9.780 1.00 1.41 O ATOM 1667 CB ALA A 111 7.781 -8.023 -7.273 1.00 1.01 C ATOM 0 H ALA A 111 6.426 -8.262 -9.482 1.00 1.06 H new ATOM 0 HA ALA A 111 6.278 -6.526 -7.096 1.00 1.14 H new ATOM 0 HB1 ALA A 111 8.440 -7.546 -6.547 1.00 1.01 H new ATOM 0 HB2 ALA A 111 7.176 -8.779 -6.772 1.00 1.01 H new ATOM 0 HB3 ALA A 111 8.380 -8.495 -8.052 1.00 1.01 H new ATOM 1673 N SER A 112 8.051 -4.839 -7.835 1.00 1.41 N ATOM 1674 CA SER A 112 8.992 -3.818 -8.272 1.00 1.56 C ATOM 1675 C SER A 112 9.897 -3.499 -7.090 1.00 1.55 C ATOM 1676 O SER A 112 9.396 -3.008 -6.077 1.00 1.61 O ATOM 1677 CB SER A 112 8.237 -2.561 -8.721 1.00 1.74 C ATOM 1678 OG SER A 112 7.477 -2.826 -9.883 1.00 2.03 O ATOM 0 H SER A 112 7.700 -4.688 -6.889 1.00 1.41 H new ATOM 0 HA SER A 112 9.580 -4.172 -9.119 1.00 1.56 H new ATOM 0 HB2 SER A 112 7.581 -2.219 -7.921 1.00 1.74 H new ATOM 0 HB3 SER A 112 8.945 -1.756 -8.919 1.00 1.74 H new ATOM 0 HG SER A 112 7.001 -2.014 -10.155 1.00 2.03 H new ATOM 1684 N VAL A 113 11.200 -3.783 -7.196 1.00 1.51 N ATOM 1685 CA VAL A 113 12.151 -3.513 -6.126 1.00 1.48 C ATOM 1686 C VAL A 113 13.151 -2.441 -6.561 1.00 1.74 C ATOM 1687 O VAL A 113 13.835 -2.596 -7.570 1.00 1.98 O ATOM 1688 CB VAL A 113 12.757 -4.821 -5.586 1.00 1.18 C ATOM 1689 CG1 VAL A 113 11.666 -5.884 -5.390 1.00 1.83 C ATOM 1690 CG2 VAL A 113 13.842 -5.405 -6.488 1.00 2.58 C ATOM 0 H VAL A 113 11.618 -4.205 -8.025 1.00 1.51 H new ATOM 0 HA VAL A 113 11.642 -3.082 -5.264 1.00 1.48 H new ATOM 0 HB VAL A 113 13.217 -4.558 -4.634 1.00 1.18 H new ATOM 0 HG11 VAL A 113 12.115 -6.801 -5.008 1.00 1.83 H new ATOM 0 HG12 VAL A 113 10.926 -5.519 -4.678 1.00 1.83 H new ATOM 0 HG13 VAL A 113 11.181 -6.088 -6.345 1.00 1.83 H new ATOM 0 HG21 VAL A 113 14.225 -6.325 -6.047 1.00 2.58 H new ATOM 0 HG22 VAL A 113 13.421 -5.621 -7.470 1.00 2.58 H new ATOM 0 HG23 VAL A 113 14.655 -4.686 -6.591 1.00 2.58 H new ATOM 1700 N ALA A 114 13.191 -1.316 -5.836 1.00 1.78 N ATOM 1701 CA ALA A 114 13.908 -0.121 -6.248 1.00 2.05 C ATOM 1702 C ALA A 114 14.995 0.205 -5.222 1.00 2.06 C ATOM 1703 O ALA A 114 14.795 0.981 -4.291 1.00 2.30 O ATOM 1704 CB ALA A 114 12.898 1.010 -6.458 1.00 2.28 C ATOM 0 H ALA A 114 12.718 -1.217 -4.938 1.00 1.78 H new ATOM 0 HA ALA A 114 14.422 -0.272 -7.197 1.00 2.05 H new ATOM 0 HB1 ALA A 114 13.423 1.914 -6.768 1.00 2.28 H new ATOM 0 HB2 ALA A 114 12.185 0.722 -7.230 1.00 2.28 H new ATOM 0 HB3 ALA A 114 12.366 1.201 -5.526 1.00 2.28 H new ATOM 1710 N LEU A 115 16.175 -0.382 -5.419 1.00 1.99 N ATOM 1711 CA LEU A 115 17.333 -0.284 -4.537 1.00 1.98 C ATOM 1712 C LEU A 115 17.682 1.168 -4.208 1.00 2.19 C ATOM 1713 O LEU A 115 18.136 1.460 -3.108 1.00 2.13 O ATOM 1714 CB LEU A 115 18.525 -1.064 -5.126 1.00 2.02 C ATOM 1715 CG LEU A 115 19.279 -0.364 -6.275 1.00 2.24 C ATOM 1716 CD1 LEU A 115 20.466 0.463 -5.759 1.00 2.55 C ATOM 1717 CD2 LEU A 115 19.832 -1.407 -7.252 1.00 3.01 C ATOM 0 H LEU A 115 16.356 -0.965 -6.236 1.00 1.99 H new ATOM 0 HA LEU A 115 17.077 -0.748 -3.585 1.00 1.98 H new ATOM 0 HB2 LEU A 115 19.233 -1.270 -4.323 1.00 2.02 H new ATOM 0 HB3 LEU A 115 18.163 -2.027 -5.487 1.00 2.02 H new ATOM 0 HG LEU A 115 18.565 0.296 -6.766 1.00 2.24 H new ATOM 0 HD11 LEU A 115 20.970 0.940 -6.600 1.00 2.55 H new ATOM 0 HD12 LEU A 115 20.105 1.228 -5.071 1.00 2.55 H new ATOM 0 HD13 LEU A 115 21.166 -0.191 -5.239 1.00 2.55 H new ATOM 0 HD21 LEU A 115 20.363 -0.903 -8.060 1.00 3.01 H new ATOM 0 HD22 LEU A 115 20.518 -2.071 -6.726 1.00 3.01 H new ATOM 0 HD23 LEU A 115 19.009 -1.990 -7.666 1.00 3.01 H new ATOM 1729 N ALA A 116 17.432 2.083 -5.152 1.00 2.47 N ATOM 1730 CA ALA A 116 17.683 3.504 -4.979 1.00 2.73 C ATOM 1731 C ALA A 116 16.942 4.051 -3.757 1.00 2.71 C ATOM 1732 O ALA A 116 17.446 4.927 -3.061 1.00 2.86 O ATOM 1733 CB ALA A 116 17.261 4.250 -6.248 1.00 3.01 C ATOM 0 H ALA A 116 17.045 1.846 -6.066 1.00 2.47 H new ATOM 0 HA ALA A 116 18.749 3.656 -4.809 1.00 2.73 H new ATOM 0 HB1 ALA A 116 17.448 5.316 -6.122 1.00 3.01 H new ATOM 0 HB2 ALA A 116 17.836 3.879 -7.096 1.00 3.01 H new ATOM 0 HB3 ALA A 116 16.199 4.087 -6.430 1.00 3.01 H new ATOM 1739 N THR A 117 15.735 3.532 -3.517 1.00 2.57 N ATOM 1740 CA THR A 117 14.895 3.867 -2.377 1.00 2.60 C ATOM 1741 C THR A 117 14.990 2.772 -1.299 1.00 2.34 C ATOM 1742 O THR A 117 14.679 3.012 -0.135 1.00 2.45 O ATOM 1743 CB THR A 117 13.470 4.197 -2.874 1.00 2.72 C ATOM 1744 OG1 THR A 117 12.508 3.962 -1.880 1.00 2.72 O ATOM 1745 CG2 THR A 117 12.973 3.413 -4.089 1.00 2.64 C ATOM 0 H THR A 117 15.306 2.844 -4.136 1.00 2.57 H new ATOM 0 HA THR A 117 15.246 4.769 -1.875 1.00 2.60 H new ATOM 0 HB THR A 117 13.574 5.246 -3.150 1.00 2.72 H new ATOM 0 HG1 THR A 117 11.618 4.182 -2.227 1.00 2.72 H new ATOM 0 HG21 THR A 117 11.962 3.734 -4.341 1.00 2.64 H new ATOM 0 HG22 THR A 117 13.634 3.597 -4.936 1.00 2.64 H new ATOM 0 HG23 THR A 117 12.968 2.348 -3.858 1.00 2.64 H new ATOM 1753 N SER A 118 15.427 1.563 -1.670 1.00 2.09 N ATOM 1754 CA SER A 118 15.605 0.415 -0.787 1.00 1.87 C ATOM 1755 C SER A 118 14.268 -0.272 -0.486 1.00 1.83 C ATOM 1756 O SER A 118 14.227 -1.204 0.313 1.00 1.85 O ATOM 1757 CB SER A 118 16.376 0.783 0.492 1.00 1.85 C ATOM 1758 OG SER A 118 17.140 -0.316 0.954 1.00 1.88 O ATOM 0 H SER A 118 15.676 1.354 -2.637 1.00 2.09 H new ATOM 0 HA SER A 118 16.223 -0.310 -1.317 1.00 1.87 H new ATOM 0 HB2 SER A 118 17.033 1.630 0.295 1.00 1.85 H new ATOM 0 HB3 SER A 118 15.676 1.096 1.267 1.00 1.85 H new ATOM 0 HG SER A 118 17.623 -0.060 1.767 1.00 1.88 H new ATOM 1764 N LYS A 119 13.195 0.155 -1.156 1.00 1.84 N ATOM 1765 CA LYS A 119 11.853 -0.362 -1.015 1.00 1.87 C ATOM 1766 C LYS A 119 11.575 -1.403 -2.101 1.00 1.69 C ATOM 1767 O LYS A 119 12.085 -1.313 -3.220 1.00 1.66 O ATOM 1768 CB LYS A 119 10.859 0.791 -1.172 1.00 2.38 C ATOM 1769 CG LYS A 119 10.955 1.812 -0.032 1.00 2.37 C ATOM 1770 CD LYS A 119 9.780 2.804 -0.157 1.00 3.11 C ATOM 1771 CE LYS A 119 9.122 3.213 1.171 1.00 3.00 C ATOM 1772 NZ LYS A 119 9.806 4.304 1.883 1.00 3.84 N ATOM 0 H LYS A 119 13.253 0.907 -1.842 1.00 1.84 H new ATOM 0 HA LYS A 119 11.748 -0.826 -0.034 1.00 1.87 H new ATOM 0 HB2 LYS A 119 11.039 1.294 -2.122 1.00 2.38 H new ATOM 0 HB3 LYS A 119 9.846 0.390 -1.211 1.00 2.38 H new ATOM 0 HG2 LYS A 119 10.921 1.306 0.933 1.00 2.37 H new ATOM 0 HG3 LYS A 119 11.905 2.344 -0.080 1.00 2.37 H new ATOM 0 HD2 LYS A 119 10.137 3.703 -0.659 1.00 3.11 H new ATOM 0 HD3 LYS A 119 9.019 2.361 -0.800 1.00 3.11 H new ATOM 0 HE2 LYS A 119 8.093 3.514 0.974 1.00 3.00 H new ATOM 0 HE3 LYS A 119 9.079 2.341 1.824 1.00 3.00 H new ATOM 0 HZ1 LYS A 119 9.475 4.336 2.869 1.00 3.84 H new ATOM 0 HZ2 LYS A 119 10.833 4.139 1.867 1.00 3.84 H new ATOM 0 HZ3 LYS A 119 9.594 5.209 1.417 1.00 3.84 H new ATOM 1786 N ALA A 120 10.734 -2.371 -1.749 1.00 1.61 N ATOM 1787 CA ALA A 120 10.228 -3.437 -2.583 1.00 1.43 C ATOM 1788 C ALA A 120 8.712 -3.425 -2.475 1.00 1.56 C ATOM 1789 O ALA A 120 8.201 -3.611 -1.375 1.00 1.67 O ATOM 1790 CB ALA A 120 10.807 -4.770 -2.098 1.00 1.23 C ATOM 0 H ALA A 120 10.365 -2.428 -0.800 1.00 1.61 H new ATOM 0 HA ALA A 120 10.519 -3.303 -3.625 1.00 1.43 H new ATOM 0 HB1 ALA A 120 10.429 -5.579 -2.723 1.00 1.23 H new ATOM 0 HB2 ALA A 120 11.895 -4.739 -2.162 1.00 1.23 H new ATOM 0 HB3 ALA A 120 10.509 -4.941 -1.063 1.00 1.23 H new ATOM 1796 N LEU A 121 8.013 -3.219 -3.596 1.00 1.62 N ATOM 1797 CA LEU A 121 6.563 -3.288 -3.693 1.00 1.72 C ATOM 1798 C LEU A 121 6.250 -4.689 -4.208 1.00 1.50 C ATOM 1799 O LEU A 121 6.763 -5.055 -5.267 1.00 1.40 O ATOM 1800 CB LEU A 121 6.013 -2.245 -4.685 1.00 1.96 C ATOM 1801 CG LEU A 121 6.381 -0.765 -4.462 1.00 2.40 C ATOM 1802 CD1 LEU A 121 6.240 -0.348 -3.000 1.00 2.39 C ATOM 1803 CD2 LEU A 121 7.774 -0.390 -4.983 1.00 3.12 C ATOM 0 H LEU A 121 8.460 -2.993 -4.484 1.00 1.62 H new ATOM 0 HA LEU A 121 6.104 -3.083 -2.726 1.00 1.72 H new ATOM 0 HB2 LEU A 121 6.349 -2.525 -5.683 1.00 1.96 H new ATOM 0 HB3 LEU A 121 4.926 -2.322 -4.681 1.00 1.96 H new ATOM 0 HG LEU A 121 5.656 -0.209 -5.056 1.00 2.40 H new ATOM 0 HD11 LEU A 121 6.510 0.703 -2.894 1.00 2.39 H new ATOM 0 HD12 LEU A 121 5.208 -0.492 -2.679 1.00 2.39 H new ATOM 0 HD13 LEU A 121 6.900 -0.957 -2.383 1.00 2.39 H new ATOM 0 HD21 LEU A 121 7.962 0.666 -4.791 1.00 3.12 H new ATOM 0 HD22 LEU A 121 8.527 -0.991 -4.474 1.00 3.12 H new ATOM 0 HD23 LEU A 121 7.824 -0.578 -6.055 1.00 3.12 H new ATOM 1815 N VAL A 122 5.449 -5.471 -3.476 1.00 1.53 N ATOM 1816 CA VAL A 122 5.015 -6.799 -3.897 1.00 1.39 C ATOM 1817 C VAL A 122 3.488 -6.792 -4.021 1.00 1.59 C ATOM 1818 O VAL A 122 2.822 -6.247 -3.142 1.00 1.87 O ATOM 1819 CB VAL A 122 5.560 -7.866 -2.921 1.00 1.28 C ATOM 1820 CG1 VAL A 122 4.897 -7.867 -1.538 1.00 2.58 C ATOM 1821 CG2 VAL A 122 5.435 -9.266 -3.521 1.00 1.88 C ATOM 0 H VAL A 122 5.082 -5.193 -2.566 1.00 1.53 H new ATOM 0 HA VAL A 122 5.419 -7.060 -4.875 1.00 1.39 H new ATOM 0 HB VAL A 122 6.605 -7.593 -2.773 1.00 1.28 H new ATOM 0 HG11 VAL A 122 5.343 -8.648 -0.921 1.00 2.58 H new ATOM 0 HG12 VAL A 122 5.048 -6.898 -1.062 1.00 2.58 H new ATOM 0 HG13 VAL A 122 3.829 -8.056 -1.647 1.00 2.58 H new ATOM 0 HG21 VAL A 122 5.825 -10.000 -2.816 1.00 1.88 H new ATOM 0 HG22 VAL A 122 4.386 -9.482 -3.726 1.00 1.88 H new ATOM 0 HG23 VAL A 122 6.004 -9.316 -4.449 1.00 1.88 H new ATOM 1831 N LYS A 123 2.945 -7.343 -5.118 1.00 1.51 N ATOM 1832 CA LYS A 123 1.512 -7.463 -5.355 1.00 1.67 C ATOM 1833 C LYS A 123 1.134 -8.937 -5.414 1.00 1.61 C ATOM 1834 O LYS A 123 1.504 -9.600 -6.389 1.00 1.56 O ATOM 1835 CB LYS A 123 1.183 -6.851 -6.712 1.00 1.76 C ATOM 1836 CG LYS A 123 1.647 -5.404 -6.839 1.00 1.95 C ATOM 1837 CD LYS A 123 0.758 -4.370 -6.161 1.00 1.92 C ATOM 1838 CE LYS A 123 -0.727 -4.507 -6.542 1.00 2.50 C ATOM 1839 NZ LYS A 123 -1.377 -3.195 -6.719 1.00 3.04 N ATOM 0 H LYS A 123 3.510 -7.724 -5.877 1.00 1.51 H new ATOM 0 HA LYS A 123 0.970 -6.958 -4.555 1.00 1.67 H new ATOM 0 HB2 LYS A 123 1.650 -7.447 -7.496 1.00 1.76 H new ATOM 0 HB3 LYS A 123 0.106 -6.897 -6.874 1.00 1.76 H new ATOM 0 HG2 LYS A 123 2.651 -5.324 -6.422 1.00 1.95 H new ATOM 0 HG3 LYS A 123 1.721 -5.156 -7.898 1.00 1.95 H new ATOM 0 HD2 LYS A 123 0.860 -4.465 -5.080 1.00 1.92 H new ATOM 0 HD3 LYS A 123 1.104 -3.371 -6.427 1.00 1.92 H new ATOM 0 HE2 LYS A 123 -0.813 -5.081 -7.465 1.00 2.50 H new ATOM 0 HE3 LYS A 123 -1.249 -5.068 -5.767 1.00 2.50 H new ATOM 0 HZ1 LYS A 123 -2.409 -3.319 -6.739 1.00 3.04 H new ATOM 0 HZ2 LYS A 123 -1.118 -2.570 -5.929 1.00 3.04 H new ATOM 0 HZ3 LYS A 123 -1.062 -2.770 -7.614 1.00 3.04 H new ATOM 1853 N PHE A 124 0.406 -9.448 -4.419 1.00 1.72 N ATOM 1854 CA PHE A 124 -0.056 -10.832 -4.429 1.00 1.80 C ATOM 1855 C PHE A 124 -1.563 -10.932 -4.202 1.00 2.06 C ATOM 1856 O PHE A 124 -2.219 -9.929 -3.943 1.00 2.19 O ATOM 1857 CB PHE A 124 0.752 -11.659 -3.421 1.00 1.75 C ATOM 1858 CG PHE A 124 0.716 -11.158 -1.986 1.00 1.90 C ATOM 1859 CD1 PHE A 124 -0.417 -11.382 -1.179 1.00 2.49 C ATOM 1860 CD2 PHE A 124 1.815 -10.458 -1.457 1.00 2.48 C ATOM 1861 CE1 PHE A 124 -0.489 -10.825 0.108 1.00 2.78 C ATOM 1862 CE2 PHE A 124 1.768 -9.956 -0.145 1.00 2.65 C ATOM 1863 CZ PHE A 124 0.604 -10.110 0.625 1.00 2.46 C ATOM 0 H PHE A 124 0.124 -8.919 -3.594 1.00 1.72 H new ATOM 0 HA PHE A 124 0.119 -11.251 -5.420 1.00 1.80 H new ATOM 0 HB2 PHE A 124 0.382 -12.684 -3.439 1.00 1.75 H new ATOM 0 HB3 PHE A 124 1.790 -11.689 -3.751 1.00 1.75 H new ATOM 0 HD1 PHE A 124 -1.233 -11.984 -1.551 1.00 2.49 H new ATOM 0 HD2 PHE A 124 2.698 -10.306 -2.061 1.00 2.48 H new ATOM 0 HE1 PHE A 124 -1.384 -10.946 0.700 1.00 2.78 H new ATOM 0 HE2 PHE A 124 2.628 -9.452 0.271 1.00 2.65 H new ATOM 0 HZ PHE A 124 0.549 -9.679 1.614 1.00 2.46 H new ATOM 1873 N ASP A 125 -2.097 -12.156 -4.261 1.00 2.15 N ATOM 1874 CA ASP A 125 -3.508 -12.436 -4.039 1.00 2.40 C ATOM 1875 C ASP A 125 -3.654 -12.871 -2.577 1.00 2.64 C ATOM 1876 O ASP A 125 -3.158 -13.946 -2.218 1.00 2.59 O ATOM 1877 CB ASP A 125 -3.942 -13.571 -4.972 1.00 2.25 C ATOM 1878 CG ASP A 125 -3.930 -13.176 -6.440 1.00 2.90 C ATOM 1879 OD1 ASP A 125 -4.613 -12.183 -6.768 1.00 3.96 O ATOM 1880 OD2 ASP A 125 -3.238 -13.880 -7.206 1.00 3.42 O ATOM 0 H ASP A 125 -1.547 -12.990 -4.468 1.00 2.15 H new ATOM 0 HA ASP A 125 -4.128 -11.563 -4.241 1.00 2.40 H new ATOM 0 HB2 ASP A 125 -3.281 -14.425 -4.827 1.00 2.25 H new ATOM 0 HB3 ASP A 125 -4.946 -13.895 -4.698 1.00 2.25 H new ATOM 1885 N PRO A 126 -4.258 -12.041 -1.705 1.00 2.95 N ATOM 1886 CA PRO A 126 -4.255 -12.248 -0.262 1.00 3.21 C ATOM 1887 C PRO A 126 -5.276 -13.313 0.143 1.00 3.46 C ATOM 1888 O PRO A 126 -6.236 -13.041 0.863 1.00 3.80 O ATOM 1889 CB PRO A 126 -4.578 -10.877 0.328 1.00 3.45 C ATOM 1890 CG PRO A 126 -5.501 -10.261 -0.721 1.00 3.47 C ATOM 1891 CD PRO A 126 -4.892 -10.770 -2.028 1.00 3.11 C ATOM 0 HA PRO A 126 -3.299 -12.621 0.106 1.00 3.21 H new ATOM 0 HB2 PRO A 126 -5.068 -10.960 1.298 1.00 3.45 H new ATOM 0 HB3 PRO A 126 -3.679 -10.279 0.476 1.00 3.45 H new ATOM 0 HG2 PRO A 126 -6.533 -10.589 -0.598 1.00 3.47 H new ATOM 0 HG3 PRO A 126 -5.505 -9.172 -0.671 1.00 3.47 H new ATOM 0 HD2 PRO A 126 -5.659 -10.899 -2.792 1.00 3.11 H new ATOM 0 HD3 PRO A 126 -4.165 -10.060 -2.423 1.00 3.11 H new ATOM 1899 N GLU A 127 -5.035 -14.536 -0.316 1.00 3.34 N ATOM 1900 CA GLU A 127 -5.881 -15.695 -0.105 1.00 3.63 C ATOM 1901 C GLU A 127 -5.084 -16.967 -0.412 1.00 3.49 C ATOM 1902 O GLU A 127 -5.077 -17.889 0.402 1.00 3.70 O ATOM 1903 CB GLU A 127 -7.203 -15.551 -0.880 1.00 3.90 C ATOM 1904 CG GLU A 127 -7.067 -15.462 -2.411 1.00 3.70 C ATOM 1905 CD GLU A 127 -7.260 -16.804 -3.112 1.00 3.12 C ATOM 1906 OE1 GLU A 127 -7.206 -17.837 -2.410 1.00 2.79 O ATOM 1907 OE2 GLU A 127 -7.461 -16.771 -4.343 1.00 4.06 O ATOM 0 H GLU A 127 -4.206 -14.752 -0.870 1.00 3.34 H new ATOM 0 HA GLU A 127 -6.182 -15.772 0.940 1.00 3.63 H new ATOM 0 HB2 GLU A 127 -7.840 -16.402 -0.638 1.00 3.90 H new ATOM 0 HB3 GLU A 127 -7.716 -14.657 -0.526 1.00 3.90 H new ATOM 0 HG2 GLU A 127 -7.800 -14.751 -2.793 1.00 3.70 H new ATOM 0 HG3 GLU A 127 -6.081 -15.068 -2.659 1.00 3.70 H new ATOM 1914 N ILE A 128 -4.333 -16.987 -1.524 1.00 3.16 N ATOM 1915 CA ILE A 128 -3.514 -18.133 -1.890 1.00 3.02 C ATOM 1916 C ILE A 128 -2.103 -18.010 -1.319 1.00 2.98 C ATOM 1917 O ILE A 128 -1.447 -19.022 -1.080 1.00 3.03 O ATOM 1918 CB ILE A 128 -3.458 -18.317 -3.417 1.00 2.69 C ATOM 1919 CG1 ILE A 128 -3.434 -16.984 -4.176 1.00 2.56 C ATOM 1920 CG2 ILE A 128 -4.588 -19.222 -3.933 1.00 2.65 C ATOM 1921 CD1 ILE A 128 -3.163 -17.197 -5.659 1.00 2.37 C ATOM 0 H ILE A 128 -4.282 -16.211 -2.184 1.00 3.16 H new ATOM 0 HA ILE A 128 -3.983 -19.016 -1.457 1.00 3.02 H new ATOM 0 HB ILE A 128 -2.511 -18.818 -3.620 1.00 2.69 H new ATOM 0 HG12 ILE A 128 -4.388 -16.473 -4.048 1.00 2.56 H new ATOM 0 HG13 ILE A 128 -2.666 -16.336 -3.753 1.00 2.56 H new ATOM 0 HG21 ILE A 128 -4.508 -19.323 -5.015 1.00 2.65 H new ATOM 0 HG22 ILE A 128 -4.507 -20.205 -3.470 1.00 2.65 H new ATOM 0 HG23 ILE A 128 -5.552 -18.781 -3.680 1.00 2.65 H new ATOM 0 HD11 ILE A 128 -3.152 -16.234 -6.169 1.00 2.37 H new ATOM 0 HD12 ILE A 128 -2.197 -17.685 -5.786 1.00 2.37 H new ATOM 0 HD13 ILE A 128 -3.946 -17.825 -6.085 1.00 2.37 H new ATOM 1933 N ILE A 129 -1.614 -16.781 -1.151 1.00 2.88 N ATOM 1934 CA ILE A 129 -0.260 -16.493 -0.700 1.00 2.80 C ATOM 1935 C ILE A 129 -0.321 -15.362 0.335 1.00 2.89 C ATOM 1936 O ILE A 129 -1.343 -14.689 0.455 1.00 2.97 O ATOM 1937 CB ILE A 129 0.612 -16.195 -1.944 1.00 2.57 C ATOM 1938 CG1 ILE A 129 1.628 -17.312 -2.234 1.00 2.54 C ATOM 1939 CG2 ILE A 129 1.263 -14.811 -1.944 1.00 2.28 C ATOM 1940 CD1 ILE A 129 2.766 -17.416 -1.219 1.00 2.48 C ATOM 0 H ILE A 129 -2.165 -15.941 -1.330 1.00 2.88 H new ATOM 0 HA ILE A 129 0.209 -17.337 -0.194 1.00 2.80 H new ATOM 0 HB ILE A 129 -0.094 -16.176 -2.774 1.00 2.57 H new ATOM 0 HG12 ILE A 129 1.100 -18.265 -2.268 1.00 2.54 H new ATOM 0 HG13 ILE A 129 2.055 -17.149 -3.224 1.00 2.54 H new ATOM 0 HG21 ILE A 129 1.855 -14.687 -2.851 1.00 2.28 H new ATOM 0 HG22 ILE A 129 0.489 -14.045 -1.909 1.00 2.28 H new ATOM 0 HG23 ILE A 129 1.910 -14.713 -1.072 1.00 2.28 H new ATOM 0 HD11 ILE A 129 3.433 -18.230 -1.503 1.00 2.48 H new ATOM 0 HD12 ILE A 129 3.323 -16.479 -1.200 1.00 2.48 H new ATOM 0 HD13 ILE A 129 2.354 -17.613 -0.229 1.00 2.48 H new ATOM 1952 N GLY A 130 0.764 -15.162 1.094 1.00 2.90 N ATOM 1953 CA GLY A 130 0.845 -14.140 2.128 1.00 3.03 C ATOM 1954 C GLY A 130 2.281 -13.637 2.291 1.00 2.82 C ATOM 1955 O GLY A 130 3.217 -14.267 1.794 1.00 2.65 O ATOM 0 H GLY A 130 1.616 -15.715 1.001 1.00 2.90 H new ATOM 0 HA2 GLY A 130 0.191 -13.306 1.872 1.00 3.03 H new ATOM 0 HA3 GLY A 130 0.489 -14.546 3.075 1.00 3.03 H new ATOM 1959 N PRO A 131 2.473 -12.518 3.009 1.00 2.85 N ATOM 1960 CA PRO A 131 3.745 -11.809 3.100 1.00 2.73 C ATOM 1961 C PRO A 131 4.848 -12.686 3.703 1.00 2.72 C ATOM 1962 O PRO A 131 6.013 -12.593 3.321 1.00 2.60 O ATOM 1963 CB PRO A 131 3.459 -10.566 3.950 1.00 2.83 C ATOM 1964 CG PRO A 131 2.243 -10.964 4.787 1.00 3.03 C ATOM 1965 CD PRO A 131 1.467 -11.888 3.850 1.00 3.01 C ATOM 0 HA PRO A 131 4.122 -11.534 2.115 1.00 2.73 H new ATOM 0 HB2 PRO A 131 4.310 -10.308 4.580 1.00 2.83 H new ATOM 0 HB3 PRO A 131 3.248 -9.696 3.328 1.00 2.83 H new ATOM 0 HG2 PRO A 131 2.535 -11.473 5.705 1.00 3.03 H new ATOM 0 HG3 PRO A 131 1.652 -10.096 5.078 1.00 3.03 H new ATOM 0 HD2 PRO A 131 0.902 -12.632 4.411 1.00 3.01 H new ATOM 0 HD3 PRO A 131 0.749 -11.328 3.251 1.00 3.01 H new ATOM 1973 N ARG A 132 4.478 -13.556 4.645 1.00 2.86 N ATOM 1974 CA ARG A 132 5.392 -14.482 5.284 1.00 2.85 C ATOM 1975 C ARG A 132 6.151 -15.333 4.267 1.00 2.75 C ATOM 1976 O ARG A 132 7.328 -15.615 4.479 1.00 2.67 O ATOM 1977 CB ARG A 132 4.629 -15.362 6.288 1.00 3.06 C ATOM 1978 CG ARG A 132 5.210 -15.141 7.684 1.00 4.08 C ATOM 1979 CD ARG A 132 4.550 -16.065 8.711 1.00 4.33 C ATOM 1980 NE ARG A 132 5.170 -15.886 10.034 1.00 5.38 N ATOM 1981 CZ ARG A 132 4.551 -15.979 11.224 1.00 6.40 C ATOM 1982 NH1 ARG A 132 3.259 -16.317 11.293 1.00 6.55 N ATOM 1983 NH2 ARG A 132 5.235 -15.730 12.347 1.00 7.69 N ATOM 0 H ARG A 132 3.519 -13.632 4.985 1.00 2.86 H new ATOM 0 HA ARG A 132 6.140 -13.900 5.822 1.00 2.85 H new ATOM 0 HB2 ARG A 132 3.568 -15.112 6.278 1.00 3.06 H new ATOM 0 HB3 ARG A 132 4.712 -16.412 6.007 1.00 3.06 H new ATOM 0 HG2 ARG A 132 6.285 -15.322 7.666 1.00 4.08 H new ATOM 0 HG3 ARG A 132 5.066 -14.102 7.980 1.00 4.08 H new ATOM 0 HD2 ARG A 132 3.483 -15.850 8.770 1.00 4.33 H new ATOM 0 HD3 ARG A 132 4.649 -17.103 8.393 1.00 4.33 H new ATOM 0 HE ARG A 132 6.167 -15.670 10.050 1.00 5.38 H new ATOM 0 HH11 ARG A 132 2.735 -16.507 10.439 1.00 6.55 H new ATOM 0 HH12 ARG A 132 2.797 -16.385 12.200 1.00 6.55 H new ATOM 0 HH21 ARG A 132 6.220 -15.471 12.297 1.00 7.69 H new ATOM 0 HH22 ARG A 132 4.771 -15.799 13.253 1.00 7.69 H new ATOM 1997 N ASP A 133 5.496 -15.747 3.178 1.00 2.78 N ATOM 1998 CA ASP A 133 6.163 -16.532 2.153 1.00 2.71 C ATOM 1999 C ASP A 133 7.229 -15.682 1.460 1.00 2.52 C ATOM 2000 O ASP A 133 8.360 -16.120 1.264 1.00 2.43 O ATOM 2001 CB ASP A 133 5.130 -17.042 1.153 1.00 2.81 C ATOM 2002 CG ASP A 133 5.823 -17.847 0.067 1.00 3.05 C ATOM 2003 OD1 ASP A 133 6.170 -19.009 0.363 1.00 2.81 O ATOM 2004 OD2 ASP A 133 5.997 -17.273 -1.027 1.00 4.33 O ATOM 0 H ASP A 133 4.513 -15.550 2.991 1.00 2.78 H new ATOM 0 HA ASP A 133 6.658 -17.390 2.607 1.00 2.71 H new ATOM 0 HB2 ASP A 133 4.391 -17.661 1.662 1.00 2.81 H new ATOM 0 HB3 ASP A 133 4.593 -16.203 0.711 1.00 2.81 H new ATOM 2009 N ILE A 134 6.876 -14.433 1.150 1.00 2.47 N ATOM 2010 CA ILE A 134 7.776 -13.468 0.536 1.00 2.32 C ATOM 2011 C ILE A 134 9.026 -13.317 1.411 1.00 2.16 C ATOM 2012 O ILE A 134 10.158 -13.404 0.929 1.00 2.05 O ATOM 2013 CB ILE A 134 7.057 -12.118 0.321 1.00 2.35 C ATOM 2014 CG1 ILE A 134 5.638 -12.241 -0.273 1.00 2.72 C ATOM 2015 CG2 ILE A 134 7.912 -11.212 -0.566 1.00 2.19 C ATOM 2016 CD1 ILE A 134 5.523 -13.097 -1.538 1.00 1.17 C ATOM 0 H ILE A 134 5.941 -14.063 1.323 1.00 2.47 H new ATOM 0 HA ILE A 134 8.085 -13.824 -0.447 1.00 2.32 H new ATOM 0 HB ILE A 134 6.931 -11.684 1.313 1.00 2.35 H new ATOM 0 HG12 ILE A 134 4.980 -12.659 0.488 1.00 2.72 H new ATOM 0 HG13 ILE A 134 5.270 -11.240 -0.498 1.00 2.72 H new ATOM 0 HG21 ILE A 134 7.401 -10.261 -0.715 1.00 2.19 H new ATOM 0 HG22 ILE A 134 8.874 -11.035 -0.085 1.00 2.19 H new ATOM 0 HG23 ILE A 134 8.071 -11.693 -1.531 1.00 2.19 H new ATOM 0 HD11 ILE A 134 4.485 -13.117 -1.871 1.00 1.17 H new ATOM 0 HD12 ILE A 134 6.148 -12.672 -2.323 1.00 1.17 H new ATOM 0 HD13 ILE A 134 5.854 -14.113 -1.321 1.00 1.17 H new ATOM 2028 N ILE A 135 8.808 -13.123 2.714 1.00 2.18 N ATOM 2029 CA ILE A 135 9.864 -13.126 3.714 1.00 2.04 C ATOM 2030 C ILE A 135 10.672 -14.419 3.595 1.00 2.04 C ATOM 2031 O ILE A 135 11.869 -14.345 3.351 1.00 1.86 O ATOM 2032 CB ILE A 135 9.291 -12.838 5.115 1.00 2.20 C ATOM 2033 CG1 ILE A 135 9.116 -11.311 5.241 1.00 2.57 C ATOM 2034 CG2 ILE A 135 10.185 -13.366 6.245 1.00 2.06 C ATOM 2035 CD1 ILE A 135 8.230 -10.875 6.411 1.00 2.84 C ATOM 0 H ILE A 135 7.880 -12.958 3.103 1.00 2.18 H new ATOM 0 HA ILE A 135 10.569 -12.314 3.536 1.00 2.04 H new ATOM 0 HB ILE A 135 8.339 -13.358 5.218 1.00 2.20 H new ATOM 0 HG12 ILE A 135 10.098 -10.852 5.353 1.00 2.57 H new ATOM 0 HG13 ILE A 135 8.689 -10.928 4.314 1.00 2.57 H new ATOM 0 HG21 ILE A 135 9.730 -13.134 7.208 1.00 2.06 H new ATOM 0 HG22 ILE A 135 10.296 -14.446 6.147 1.00 2.06 H new ATOM 0 HG23 ILE A 135 11.166 -12.894 6.184 1.00 2.06 H new ATOM 0 HD11 ILE A 135 8.159 -9.787 6.428 1.00 2.84 H new ATOM 0 HD12 ILE A 135 7.234 -11.302 6.292 1.00 2.84 H new ATOM 0 HD13 ILE A 135 8.665 -11.225 7.347 1.00 2.84 H new ATOM 2047 N LYS A 136 10.047 -15.593 3.717 1.00 2.26 N ATOM 2048 CA LYS A 136 10.733 -16.865 3.643 1.00 2.33 C ATOM 2049 C LYS A 136 11.651 -16.972 2.423 1.00 2.14 C ATOM 2050 O LYS A 136 12.812 -17.363 2.542 1.00 2.07 O ATOM 2051 CB LYS A 136 9.699 -17.998 3.657 1.00 2.67 C ATOM 2052 CG LYS A 136 10.342 -19.185 4.361 1.00 2.85 C ATOM 2053 CD LYS A 136 9.685 -20.502 3.929 1.00 2.96 C ATOM 2054 CE LYS A 136 10.391 -21.713 4.552 1.00 3.19 C ATOM 2055 NZ LYS A 136 10.261 -21.736 6.022 1.00 4.28 N ATOM 0 H LYS A 136 9.042 -15.677 3.871 1.00 2.26 H new ATOM 0 HA LYS A 136 11.382 -16.948 4.515 1.00 2.33 H new ATOM 0 HB2 LYS A 136 8.794 -17.686 4.178 1.00 2.67 H new ATOM 0 HB3 LYS A 136 9.407 -18.265 2.641 1.00 2.67 H new ATOM 0 HG2 LYS A 136 11.407 -19.214 4.133 1.00 2.85 H new ATOM 0 HG3 LYS A 136 10.250 -19.066 5.441 1.00 2.85 H new ATOM 0 HD2 LYS A 136 8.636 -20.500 4.223 1.00 2.96 H new ATOM 0 HD3 LYS A 136 9.711 -20.584 2.842 1.00 2.96 H new ATOM 0 HE2 LYS A 136 9.972 -22.630 4.137 1.00 3.19 H new ATOM 0 HE3 LYS A 136 11.447 -21.695 4.282 1.00 3.19 H new ATOM 0 HZ1 LYS A 136 10.663 -22.621 6.392 1.00 4.28 H new ATOM 0 HZ2 LYS A 136 10.772 -20.926 6.428 1.00 4.28 H new ATOM 0 HZ3 LYS A 136 9.256 -21.677 6.283 1.00 4.28 H new ATOM 2069 N ILE A 137 11.132 -16.619 1.246 1.00 2.09 N ATOM 2070 CA ILE A 137 11.913 -16.585 0.020 1.00 1.97 C ATOM 2071 C ILE A 137 13.183 -15.764 0.259 1.00 1.67 C ATOM 2072 O ILE A 137 14.290 -16.243 -0.001 1.00 1.63 O ATOM 2073 CB ILE A 137 11.049 -16.051 -1.144 1.00 2.07 C ATOM 2074 CG1 ILE A 137 9.984 -17.097 -1.522 1.00 2.37 C ATOM 2075 CG2 ILE A 137 11.913 -15.718 -2.369 1.00 1.94 C ATOM 2076 CD1 ILE A 137 8.869 -16.523 -2.404 1.00 4.26 C ATOM 0 H ILE A 137 10.156 -16.349 1.121 1.00 2.09 H new ATOM 0 HA ILE A 137 12.225 -17.589 -0.267 1.00 1.97 H new ATOM 0 HB ILE A 137 10.561 -15.134 -0.815 1.00 2.07 H new ATOM 0 HG12 ILE A 137 10.464 -17.924 -2.045 1.00 2.37 H new ATOM 0 HG13 ILE A 137 9.546 -17.507 -0.612 1.00 2.37 H new ATOM 0 HG21 ILE A 137 11.277 -15.345 -3.172 1.00 1.94 H new ATOM 0 HG22 ILE A 137 12.645 -14.956 -2.102 1.00 1.94 H new ATOM 0 HG23 ILE A 137 12.431 -16.617 -2.704 1.00 1.94 H new ATOM 0 HD11 ILE A 137 8.149 -17.308 -2.637 1.00 4.26 H new ATOM 0 HD12 ILE A 137 8.366 -15.714 -1.874 1.00 4.26 H new ATOM 0 HD13 ILE A 137 9.298 -16.138 -3.329 1.00 4.26 H new ATOM 2088 N ILE A 138 13.053 -14.533 0.767 1.00 1.54 N ATOM 2089 CA ILE A 138 14.250 -13.729 0.980 1.00 1.31 C ATOM 2090 C ILE A 138 15.137 -14.223 2.127 1.00 1.36 C ATOM 2091 O ILE A 138 16.352 -14.052 2.041 1.00 1.29 O ATOM 2092 CB ILE A 138 13.998 -12.219 0.972 1.00 1.19 C ATOM 2093 CG1 ILE A 138 13.071 -11.683 2.061 1.00 1.38 C ATOM 2094 CG2 ILE A 138 13.429 -11.788 -0.390 1.00 1.22 C ATOM 2095 CD1 ILE A 138 13.686 -11.598 3.458 1.00 1.52 C ATOM 0 H ILE A 138 12.171 -14.091 1.027 1.00 1.54 H new ATOM 0 HA ILE A 138 14.856 -13.896 0.090 1.00 1.31 H new ATOM 0 HB ILE A 138 14.979 -11.790 1.174 1.00 1.19 H new ATOM 0 HG12 ILE A 138 12.732 -10.689 1.770 1.00 1.38 H new ATOM 0 HG13 ILE A 138 12.187 -12.320 2.109 1.00 1.38 H new ATOM 0 HG21 ILE A 138 13.253 -10.712 -0.387 1.00 1.22 H new ATOM 0 HG22 ILE A 138 14.141 -12.037 -1.177 1.00 1.22 H new ATOM 0 HG23 ILE A 138 12.489 -12.309 -0.573 1.00 1.22 H new ATOM 0 HD11 ILE A 138 12.948 -11.206 4.157 1.00 1.52 H new ATOM 0 HD12 ILE A 138 13.998 -12.592 3.779 1.00 1.52 H new ATOM 0 HD13 ILE A 138 14.551 -10.936 3.435 1.00 1.52 H new ATOM 2107 N GLU A 139 14.578 -14.866 3.158 1.00 1.55 N ATOM 2108 CA GLU A 139 15.370 -15.536 4.185 1.00 1.68 C ATOM 2109 C GLU A 139 16.258 -16.587 3.522 1.00 1.78 C ATOM 2110 O GLU A 139 17.444 -16.687 3.825 1.00 1.76 O ATOM 2111 CB GLU A 139 14.490 -16.218 5.246 1.00 1.89 C ATOM 2112 CG GLU A 139 13.668 -15.257 6.114 1.00 1.89 C ATOM 2113 CD GLU A 139 12.862 -16.007 7.173 1.00 2.56 C ATOM 2114 OE1 GLU A 139 12.231 -17.026 6.810 1.00 3.23 O ATOM 2115 OE2 GLU A 139 12.892 -15.553 8.335 1.00 3.05 O ATOM 0 H GLU A 139 13.570 -14.934 3.300 1.00 1.55 H new ATOM 0 HA GLU A 139 15.970 -14.779 4.689 1.00 1.68 H new ATOM 0 HB2 GLU A 139 13.809 -16.906 4.745 1.00 1.89 H new ATOM 0 HB3 GLU A 139 15.128 -16.817 5.896 1.00 1.89 H new ATOM 0 HG2 GLU A 139 14.334 -14.544 6.600 1.00 1.89 H new ATOM 0 HG3 GLU A 139 12.992 -14.682 5.481 1.00 1.89 H new ATOM 2122 N GLU A 140 15.678 -17.364 2.604 1.00 1.93 N ATOM 2123 CA GLU A 140 16.375 -18.442 1.924 1.00 2.12 C ATOM 2124 C GLU A 140 17.484 -17.860 1.043 1.00 2.02 C ATOM 2125 O GLU A 140 18.567 -18.431 0.944 1.00 2.13 O ATOM 2126 CB GLU A 140 15.364 -19.290 1.141 1.00 2.34 C ATOM 2127 CG GLU A 140 15.941 -20.649 0.732 1.00 2.50 C ATOM 2128 CD GLU A 140 14.892 -21.481 0.010 1.00 2.89 C ATOM 2129 OE1 GLU A 140 14.074 -22.102 0.724 1.00 3.70 O ATOM 2130 OE2 GLU A 140 14.914 -21.456 -1.240 1.00 3.38 O ATOM 0 H GLU A 140 14.706 -17.257 2.315 1.00 1.93 H new ATOM 0 HA GLU A 140 16.857 -19.105 2.643 1.00 2.12 H new ATOM 0 HB2 GLU A 140 14.473 -19.444 1.750 1.00 2.34 H new ATOM 0 HB3 GLU A 140 15.051 -18.747 0.249 1.00 2.34 H new ATOM 0 HG2 GLU A 140 16.806 -20.503 0.085 1.00 2.50 H new ATOM 0 HG3 GLU A 140 16.291 -21.182 1.616 1.00 2.50 H new ATOM 2137 N ILE A 141 17.232 -16.703 0.417 1.00 1.83 N ATOM 2138 CA ILE A 141 18.282 -15.992 -0.300 1.00 1.73 C ATOM 2139 C ILE A 141 19.349 -15.481 0.678 1.00 1.61 C ATOM 2140 O ILE A 141 20.539 -15.524 0.376 1.00 1.74 O ATOM 2141 CB ILE A 141 17.679 -14.844 -1.124 1.00 1.54 C ATOM 2142 CG1 ILE A 141 16.749 -15.400 -2.209 1.00 1.50 C ATOM 2143 CG2 ILE A 141 18.812 -14.072 -1.802 1.00 1.51 C ATOM 2144 CD1 ILE A 141 15.838 -14.343 -2.837 1.00 1.61 C ATOM 0 H ILE A 141 16.319 -16.249 0.396 1.00 1.83 H new ATOM 0 HA ILE A 141 18.769 -16.681 -0.990 1.00 1.73 H new ATOM 0 HB ILE A 141 17.111 -14.191 -0.461 1.00 1.54 H new ATOM 0 HG12 ILE A 141 17.352 -15.859 -2.992 1.00 1.50 H new ATOM 0 HG13 ILE A 141 16.133 -16.189 -1.778 1.00 1.50 H new ATOM 0 HG21 ILE A 141 18.394 -13.255 -2.390 1.00 1.51 H new ATOM 0 HG22 ILE A 141 19.482 -13.668 -1.043 1.00 1.51 H new ATOM 0 HG23 ILE A 141 19.368 -14.743 -2.457 1.00 1.51 H new ATOM 0 HD11 ILE A 141 15.209 -14.809 -3.595 1.00 1.61 H new ATOM 0 HD12 ILE A 141 15.208 -13.900 -2.065 1.00 1.61 H new ATOM 0 HD13 ILE A 141 16.447 -13.566 -3.298 1.00 1.61 H new ATOM 2156 N GLY A 142 18.908 -14.958 1.821 1.00 1.42 N ATOM 2157 CA GLY A 142 19.737 -14.322 2.828 1.00 1.30 C ATOM 2158 C GLY A 142 19.690 -12.797 2.722 1.00 1.01 C ATOM 2159 O GLY A 142 20.666 -12.141 3.082 1.00 1.08 O ATOM 0 H GLY A 142 17.920 -14.970 2.076 1.00 1.42 H new ATOM 0 HA2 GLY A 142 19.403 -14.628 3.820 1.00 1.30 H new ATOM 0 HA3 GLY A 142 20.767 -14.662 2.719 1.00 1.30 H new ATOM 2163 N PHE A 143 18.566 -12.220 2.271 1.00 0.81 N ATOM 2164 CA PHE A 143 18.299 -10.792 2.461 1.00 0.64 C ATOM 2165 C PHE A 143 17.325 -10.625 3.624 1.00 0.68 C ATOM 2166 O PHE A 143 16.924 -11.619 4.227 1.00 0.81 O ATOM 2167 CB PHE A 143 17.792 -10.159 1.158 1.00 0.60 C ATOM 2168 CG PHE A 143 18.829 -10.149 0.052 1.00 0.68 C ATOM 2169 CD1 PHE A 143 20.063 -9.509 0.264 1.00 1.83 C ATOM 2170 CD2 PHE A 143 18.590 -10.816 -1.162 1.00 1.78 C ATOM 2171 CE1 PHE A 143 21.072 -9.581 -0.709 1.00 1.98 C ATOM 2172 CE2 PHE A 143 19.583 -10.842 -2.157 1.00 1.92 C ATOM 2173 CZ PHE A 143 20.819 -10.214 -1.935 1.00 1.23 C ATOM 0 H PHE A 143 17.830 -12.722 1.773 1.00 0.81 H new ATOM 0 HA PHE A 143 19.218 -10.263 2.714 1.00 0.64 H new ATOM 0 HB2 PHE A 143 16.912 -10.704 0.816 1.00 0.60 H new ATOM 0 HB3 PHE A 143 17.475 -9.136 1.359 1.00 0.60 H new ATOM 0 HD1 PHE A 143 20.235 -8.960 1.178 1.00 1.83 H new ATOM 0 HD2 PHE A 143 17.644 -11.308 -1.330 1.00 1.78 H new ATOM 0 HE1 PHE A 143 22.043 -9.149 -0.514 1.00 1.98 H new ATOM 0 HE2 PHE A 143 19.395 -11.346 -3.094 1.00 1.92 H new ATOM 0 HZ PHE A 143 21.574 -10.218 -2.707 1.00 1.23 H new ATOM 2183 N HIS A 144 16.945 -9.385 3.961 1.00 0.75 N ATOM 2184 CA HIS A 144 16.058 -9.129 5.080 1.00 0.94 C ATOM 2185 C HIS A 144 15.008 -8.145 4.596 1.00 1.02 C ATOM 2186 O HIS A 144 15.362 -7.056 4.141 1.00 1.04 O ATOM 2187 CB HIS A 144 16.849 -8.587 6.275 1.00 1.08 C ATOM 2188 CG HIS A 144 16.095 -8.694 7.575 1.00 1.75 C ATOM 2189 ND1 HIS A 144 14.902 -8.077 7.884 1.00 3.47 N ATOM 2190 CD2 HIS A 144 16.441 -9.481 8.641 1.00 2.37 C ATOM 2191 CE1 HIS A 144 14.545 -8.484 9.115 1.00 4.37 C ATOM 2192 NE2 HIS A 144 15.453 -9.335 9.618 1.00 3.67 N ATOM 0 H HIS A 144 17.246 -8.546 3.465 1.00 0.75 H new ATOM 0 HA HIS A 144 15.575 -10.044 5.424 1.00 0.94 H new ATOM 0 HB2 HIS A 144 17.789 -9.133 6.360 1.00 1.08 H new ATOM 0 HB3 HIS A 144 17.102 -7.543 6.093 1.00 1.08 H new ATOM 0 HD2 HIS A 144 17.321 -10.103 8.714 1.00 2.37 H new ATOM 0 HE1 HIS A 144 13.649 -8.169 9.629 1.00 4.37 H new ATOM 0 HE2 HIS A 144 15.427 -9.786 10.533 1.00 3.67 H new ATOM 2200 N ALA A 145 13.741 -8.557 4.676 1.00 1.11 N ATOM 2201 CA ALA A 145 12.581 -7.768 4.308 1.00 1.24 C ATOM 2202 C ALA A 145 11.916 -7.275 5.584 1.00 1.57 C ATOM 2203 O ALA A 145 11.430 -8.086 6.370 1.00 1.84 O ATOM 2204 CB ALA A 145 11.599 -8.597 3.486 1.00 1.28 C ATOM 0 H ALA A 145 13.494 -9.487 5.013 1.00 1.11 H new ATOM 0 HA ALA A 145 12.892 -6.923 3.695 1.00 1.24 H new ATOM 0 HB1 ALA A 145 10.737 -7.984 3.222 1.00 1.28 H new ATOM 0 HB2 ALA A 145 12.089 -8.945 2.577 1.00 1.28 H new ATOM 0 HB3 ALA A 145 11.268 -9.455 4.071 1.00 1.28 H new ATOM 2210 N SER A 146 11.900 -5.960 5.799 1.00 1.65 N ATOM 2211 CA SER A 146 11.133 -5.350 6.883 1.00 1.90 C ATOM 2212 C SER A 146 10.407 -4.130 6.337 1.00 2.29 C ATOM 2213 O SER A 146 11.065 -3.304 5.719 1.00 2.40 O ATOM 2214 CB SER A 146 12.073 -4.961 8.029 1.00 1.84 C ATOM 2215 OG SER A 146 11.350 -4.404 9.110 1.00 2.87 O ATOM 0 H SER A 146 12.416 -5.290 5.229 1.00 1.65 H new ATOM 0 HA SER A 146 10.401 -6.057 7.274 1.00 1.90 H new ATOM 0 HB2 SER A 146 12.622 -5.839 8.368 1.00 1.84 H new ATOM 0 HB3 SER A 146 12.811 -4.243 7.671 1.00 1.84 H new ATOM 0 HG SER A 146 11.970 -4.165 9.830 1.00 2.87 H new ATOM 2221 N LEU A 147 9.088 -4.035 6.559 1.00 2.69 N ATOM 2222 CA LEU A 147 8.217 -2.898 6.279 1.00 3.18 C ATOM 2223 C LEU A 147 9.033 -1.614 6.281 1.00 3.70 C ATOM 2224 O LEU A 147 9.603 -1.225 7.300 1.00 4.29 O ATOM 2225 CB LEU A 147 7.028 -2.865 7.255 1.00 3.87 C ATOM 2226 CG LEU A 147 7.403 -2.535 8.711 1.00 4.86 C ATOM 2227 CD1 LEU A 147 7.069 -1.073 9.050 1.00 6.16 C ATOM 2228 CD2 LEU A 147 6.637 -3.436 9.681 1.00 5.31 C ATOM 0 H LEU A 147 8.570 -4.812 6.969 1.00 2.69 H new ATOM 0 HA LEU A 147 7.784 -3.002 5.284 1.00 3.18 H new ATOM 0 HB2 LEU A 147 6.307 -2.127 6.903 1.00 3.87 H new ATOM 0 HB3 LEU A 147 6.530 -3.834 7.233 1.00 3.87 H new ATOM 0 HG LEU A 147 8.476 -2.699 8.813 1.00 4.86 H new ATOM 0 HD11 LEU A 147 7.344 -0.867 10.084 1.00 6.16 H new ATOM 0 HD12 LEU A 147 7.625 -0.410 8.388 1.00 6.16 H new ATOM 0 HD13 LEU A 147 6.000 -0.904 8.918 1.00 6.16 H new ATOM 0 HD21 LEU A 147 6.915 -3.188 10.705 1.00 5.31 H new ATOM 0 HD22 LEU A 147 5.566 -3.285 9.549 1.00 5.31 H new ATOM 0 HD23 LEU A 147 6.883 -4.479 9.481 1.00 5.31 H new ATOM 2240 N ALA A 148 9.203 -1.039 5.101 1.00 3.72 N ATOM 2241 CA ALA A 148 10.076 0.112 4.970 1.00 4.57 C ATOM 2242 C ALA A 148 9.395 1.369 5.494 1.00 5.03 C ATOM 2243 O ALA A 148 10.051 2.186 6.139 1.00 5.91 O ATOM 2244 CB ALA A 148 10.480 0.232 3.515 1.00 5.31 C ATOM 0 H ALA A 148 8.757 -1.344 4.236 1.00 3.72 H new ATOM 0 HA ALA A 148 10.974 -0.016 5.574 1.00 4.57 H new ATOM 0 HB1 ALA A 148 11.138 1.092 3.390 1.00 5.31 H new ATOM 0 HB2 ALA A 148 11.003 -0.673 3.207 1.00 5.31 H new ATOM 0 HB3 ALA A 148 9.590 0.364 2.900 1.00 5.31 H new ATOM 2250 N GLN A 149 8.088 1.470 5.242 1.00 4.90 N ATOM 2251 CA GLN A 149 7.229 2.574 5.638 1.00 5.70 C ATOM 2252 C GLN A 149 7.457 3.797 4.745 1.00 6.76 C ATOM 2253 O GLN A 149 6.520 4.614 4.684 1.00 7.41 O ATOM 2254 CB GLN A 149 7.398 2.904 7.130 1.00 6.56 C ATOM 2255 CG GLN A 149 6.141 3.557 7.717 1.00 7.21 C ATOM 2256 CD GLN A 149 6.346 3.976 9.170 1.00 8.29 C ATOM 2257 OE1 GLN A 149 7.375 4.537 9.535 1.00 9.63 O ATOM 2258 NE2 GLN A 149 5.367 3.715 10.033 1.00 8.07 N ATOM 2259 OXT GLN A 149 8.545 3.915 4.132 1.00 7.38 O ATOM 0 H GLN A 149 7.582 0.747 4.732 1.00 4.90 H new ATOM 0 HA GLN A 149 6.193 2.265 5.498 1.00 5.70 H new ATOM 0 HB2 GLN A 149 7.623 1.991 7.681 1.00 6.56 H new ATOM 0 HB3 GLN A 149 8.249 3.573 7.260 1.00 6.56 H new ATOM 0 HG2 GLN A 149 5.873 4.430 7.121 1.00 7.21 H new ATOM 0 HG3 GLN A 149 5.306 2.859 7.654 1.00 7.21 H new ATOM 0 HE21 GLN A 149 4.518 3.248 9.715 1.00 8.07 H new ATOM 0 HE22 GLN A 149 5.466 3.982 11.012 1.00 8.07 H new TER 2268 GLN A 149