USER MOD reduce.3.24.130724 H: found=0, std=0, add=554, rem=0, adj=18 USER MOD reduce.3.24.130724 removed 555 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 5 THR OG1 : rot -162:sc= -0.0748 USER MOD Set 1.2: A 8 GLN : amide:sc= 0.451 K(o=0.37,f=-6.9!) USER MOD Set 1.3: A 76 MET CE :methyl -133:sc=-0.00178 (180deg=-0.0281) USER MOD Set 2.1: A 36 MET CE :methyl -116:sc= -0.0105 (180deg=-2.15!) USER MOD Set 2.2: A 51 MET CE :methyl 157:sc= -0.487 (180deg=-0.762) USER MOD Single : A 3 GLN : amide:sc= -0.0395 X(o=-0.04,f=-0.38) USER MOD Single : A 13 LYS NZ :NH3+ 176:sc= -3.94! (180deg=-4.16!) USER MOD Single : A 17 SER OG : rot -14:sc= 0.699 USER MOD Single : A 21 LYS NZ :NH3+ 149:sc= -0.293 (180deg=-1.17!) USER MOD Single : A 26 THR OG1 : rot 180:sc= 0 USER MOD Single : A 28 THR OG1 : rot 180:sc= 0 USER MOD Single : A 29 THR OG1 : rot 180:sc= 0.0335 USER MOD Single : A 30 LYS NZ :NH3+ -161:sc= -0.0848 (180deg=-0.547) USER MOD Single : A 34 THR OG1 : rot 180:sc= 0 USER MOD Single : A 38 SER OG : rot -32:sc= 1.13 USER MOD Single : A 41 GLN : amide:sc= 0 K(o=0,f=-1.3) USER MOD Single : A 42 ASN : amide:sc= -0.026 K(o=-0.026,f=-1.9!) USER MOD Single : A 44 THR OG1 : rot 180:sc= -0.632 USER MOD Single : A 49 GLN : amide:sc= 0 X(o=0,f=-0.075) USER MOD Single : A 53 ASN : amide:sc= -0.0845 K(o=-0.085,f=-2.2!) USER MOD Single : A 60 ASN : amide:sc= 0 X(o=0,f=-0.17) USER MOD Single : A 62 THR OG1 : rot 180:sc= 0 USER MOD Single : A 70 THR OG1 : rot 76:sc= 0.00233 USER MOD Single : A 71 MET CE :methyl -146:sc= -0.786 (180deg=-2.67) USER MOD Single : A 72 MET CE :methyl -173:sc= -0.342 (180deg=-0.408) USER MOD Single : A 75 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD ----------------------------------------------------------------- ATOM 13 N ASP A 2 10.646 12.848 -8.202 1.00 1.13 N ATOM 14 CA ASP A 2 10.341 11.641 -7.388 1.00 1.00 C ATOM 15 C ASP A 2 10.193 10.435 -8.308 1.00 0.80 C ATOM 16 O ASP A 2 9.094 10.000 -8.589 1.00 0.77 O ATOM 17 CB ASP A 2 9.045 11.844 -6.619 1.00 1.04 C ATOM 18 CG ASP A 2 7.969 12.386 -7.562 1.00 1.66 C ATOM 19 OD1 ASP A 2 8.223 12.429 -8.755 1.00 2.26 O ATOM 20 OD2 ASP A 2 6.911 12.749 -7.076 1.00 2.21 O ATOM 0 HA ASP A 2 11.155 11.473 -6.683 1.00 1.00 H new ATOM 0 HB2 ASP A 2 8.718 10.901 -6.182 1.00 1.04 H new ATOM 0 HB3 ASP A 2 9.204 12.539 -5.795 1.00 1.04 H new ATOM 25 N GLN A 3 11.272 9.811 -8.673 1.00 0.74 N ATOM 26 CA GLN A 3 11.196 8.537 -9.450 1.00 0.58 C ATOM 27 C GLN A 3 11.459 7.444 -8.413 1.00 0.38 C ATOM 28 O GLN A 3 12.486 7.463 -7.764 1.00 0.32 O ATOM 29 CB GLN A 3 12.261 8.520 -10.556 1.00 0.57 C ATOM 30 CG GLN A 3 13.656 8.421 -9.936 1.00 0.81 C ATOM 31 CD GLN A 3 14.713 8.874 -10.950 1.00 0.78 C ATOM 32 OE1 GLN A 3 14.595 9.931 -11.537 1.00 0.99 O ATOM 33 NE2 GLN A 3 15.748 8.112 -11.179 1.00 1.84 N ATOM 0 H GLN A 3 12.219 10.129 -8.466 1.00 0.74 H new ATOM 0 HA GLN A 3 10.237 8.404 -9.950 1.00 0.58 H new ATOM 0 HB2 GLN A 3 12.090 7.676 -11.224 1.00 0.57 H new ATOM 0 HB3 GLN A 3 12.185 9.425 -11.159 1.00 0.57 H new ATOM 0 HG2 GLN A 3 13.710 9.040 -9.041 1.00 0.81 H new ATOM 0 HG3 GLN A 3 13.853 7.395 -9.626 1.00 0.81 H new ATOM 0 HE21 GLN A 3 15.847 7.225 -10.686 1.00 1.84 H new ATOM 0 HE22 GLN A 3 16.458 8.404 -11.851 1.00 1.84 H new ATOM 42 N LEU A 4 10.579 6.498 -8.207 1.00 0.32 N ATOM 43 CA LEU A 4 10.902 5.478 -7.169 1.00 0.20 C ATOM 44 C LEU A 4 12.200 4.788 -7.591 1.00 0.26 C ATOM 45 O LEU A 4 12.361 4.392 -8.728 1.00 0.35 O ATOM 46 CB LEU A 4 9.773 4.449 -7.022 1.00 0.29 C ATOM 47 CG LEU A 4 8.449 5.142 -6.669 1.00 0.17 C ATOM 48 CD1 LEU A 4 7.323 4.100 -6.653 1.00 0.21 C ATOM 49 CD2 LEU A 4 8.551 5.809 -5.287 1.00 0.02 C ATOM 0 H LEU A 4 9.687 6.389 -8.690 1.00 0.32 H new ATOM 0 HA LEU A 4 11.017 5.962 -6.199 1.00 0.20 H new ATOM 0 HB2 LEU A 4 9.660 3.890 -7.951 1.00 0.29 H new ATOM 0 HB3 LEU A 4 10.030 3.728 -6.246 1.00 0.29 H new ATOM 0 HG LEU A 4 8.235 5.907 -7.415 1.00 0.17 H new ATOM 0 HD11 LEU A 4 6.380 4.587 -6.403 1.00 0.21 H new ATOM 0 HD12 LEU A 4 7.242 3.636 -7.636 1.00 0.21 H new ATOM 0 HD13 LEU A 4 7.545 3.335 -5.909 1.00 0.21 H new ATOM 0 HD21 LEU A 4 7.606 6.297 -5.048 1.00 0.02 H new ATOM 0 HD22 LEU A 4 8.770 5.053 -4.533 1.00 0.02 H new ATOM 0 HD23 LEU A 4 9.350 6.551 -5.299 1.00 0.02 H new ATOM 61 N THR A 5 13.132 4.643 -6.688 1.00 0.23 N ATOM 62 CA THR A 5 14.420 3.982 -7.038 1.00 0.31 C ATOM 63 C THR A 5 14.253 2.462 -6.971 1.00 0.37 C ATOM 64 O THR A 5 13.343 1.956 -6.345 1.00 0.39 O ATOM 65 CB THR A 5 15.503 4.418 -6.044 1.00 0.29 C ATOM 66 OG1 THR A 5 15.218 3.873 -4.764 1.00 0.29 O ATOM 67 CG2 THR A 5 15.532 5.944 -5.953 1.00 0.22 C ATOM 0 H THR A 5 13.056 4.955 -5.720 1.00 0.23 H new ATOM 0 HA THR A 5 14.711 4.271 -8.048 1.00 0.31 H new ATOM 0 HB THR A 5 16.473 4.058 -6.386 1.00 0.29 H new ATOM 0 HG1 THR A 5 15.721 4.363 -4.080 1.00 0.29 H new ATOM 0 HG21 THR A 5 16.302 6.252 -5.246 1.00 0.22 H new ATOM 0 HG22 THR A 5 15.752 6.363 -6.935 1.00 0.22 H new ATOM 0 HG23 THR A 5 14.562 6.307 -5.613 1.00 0.22 H new ATOM 75 N GLU A 6 15.116 1.729 -7.620 1.00 0.42 N ATOM 76 CA GLU A 6 14.997 0.242 -7.603 1.00 0.49 C ATOM 77 C GLU A 6 15.036 -0.288 -6.165 1.00 0.49 C ATOM 78 O GLU A 6 14.299 -1.187 -5.810 1.00 0.53 O ATOM 79 CB GLU A 6 16.155 -0.363 -8.397 1.00 0.55 C ATOM 80 CG GLU A 6 15.960 -0.069 -9.885 1.00 1.15 C ATOM 81 CD GLU A 6 17.115 -0.675 -10.682 1.00 1.06 C ATOM 82 OE1 GLU A 6 18.114 -1.020 -10.071 1.00 2.08 O ATOM 83 OE2 GLU A 6 16.983 -0.784 -11.889 1.00 0.89 O ATOM 0 H GLU A 6 15.899 2.095 -8.162 1.00 0.42 H new ATOM 0 HA GLU A 6 14.045 -0.040 -8.053 1.00 0.49 H new ATOM 0 HB2 GLU A 6 17.102 0.053 -8.054 1.00 0.55 H new ATOM 0 HB3 GLU A 6 16.201 -1.439 -8.231 1.00 0.55 H new ATOM 0 HG2 GLU A 6 15.012 -0.484 -10.227 1.00 1.15 H new ATOM 0 HG3 GLU A 6 15.916 1.007 -10.051 1.00 1.15 H new ATOM 90 N GLU A 7 15.879 0.257 -5.332 1.00 0.47 N ATOM 91 CA GLU A 7 15.948 -0.225 -3.920 1.00 0.49 C ATOM 92 C GLU A 7 14.635 0.094 -3.199 1.00 0.46 C ATOM 93 O GLU A 7 14.100 -0.727 -2.480 1.00 0.56 O ATOM 94 CB GLU A 7 17.105 0.477 -3.203 1.00 0.46 C ATOM 95 CG GLU A 7 18.437 -0.035 -3.758 1.00 0.60 C ATOM 96 CD GLU A 7 18.652 -1.486 -3.322 1.00 1.95 C ATOM 97 OE1 GLU A 7 18.035 -1.891 -2.351 1.00 3.20 O ATOM 98 OE2 GLU A 7 19.433 -2.167 -3.967 1.00 2.18 O ATOM 0 H GLU A 7 16.522 1.013 -5.565 1.00 0.47 H new ATOM 0 HA GLU A 7 16.109 -1.303 -3.913 1.00 0.49 H new ATOM 0 HB2 GLU A 7 17.032 1.556 -3.342 1.00 0.46 H new ATOM 0 HB3 GLU A 7 17.050 0.289 -2.131 1.00 0.46 H new ATOM 0 HG2 GLU A 7 18.439 0.032 -4.846 1.00 0.60 H new ATOM 0 HG3 GLU A 7 19.256 0.588 -3.399 1.00 0.60 H new ATOM 105 N GLN A 8 14.102 1.275 -3.387 1.00 0.33 N ATOM 106 CA GLN A 8 12.818 1.621 -2.710 1.00 0.30 C ATOM 107 C GLN A 8 11.739 0.664 -3.208 1.00 0.29 C ATOM 108 O GLN A 8 10.881 0.235 -2.462 1.00 0.28 O ATOM 109 CB GLN A 8 12.422 3.066 -3.032 1.00 0.30 C ATOM 110 CG GLN A 8 13.382 4.027 -2.329 1.00 0.29 C ATOM 111 CD GLN A 8 13.153 5.452 -2.837 1.00 0.34 C ATOM 112 OE1 GLN A 8 12.935 5.665 -4.014 1.00 0.59 O ATOM 113 NE2 GLN A 8 13.195 6.445 -1.991 1.00 0.97 N ATOM 0 H GLN A 8 14.498 2.008 -3.975 1.00 0.33 H new ATOM 0 HA GLN A 8 12.933 1.530 -1.630 1.00 0.30 H new ATOM 0 HB2 GLN A 8 12.450 3.230 -4.109 1.00 0.30 H new ATOM 0 HB3 GLN A 8 11.399 3.255 -2.707 1.00 0.30 H new ATOM 0 HG2 GLN A 8 13.227 3.986 -1.251 1.00 0.29 H new ATOM 0 HG3 GLN A 8 14.413 3.726 -2.515 1.00 0.29 H new ATOM 0 HE21 GLN A 8 13.378 6.266 -1.004 1.00 0.97 H new ATOM 0 HE22 GLN A 8 13.045 7.400 -2.317 1.00 0.97 H new ATOM 122 N ILE A 9 11.774 0.325 -4.469 1.00 0.30 N ATOM 123 CA ILE A 9 10.749 -0.601 -5.005 1.00 0.29 C ATOM 124 C ILE A 9 10.937 -1.980 -4.372 1.00 0.26 C ATOM 125 O ILE A 9 9.987 -2.626 -3.979 1.00 0.25 O ATOM 126 CB ILE A 9 10.872 -0.698 -6.531 1.00 0.29 C ATOM 127 CG1 ILE A 9 10.513 0.654 -7.151 1.00 0.36 C ATOM 128 CG2 ILE A 9 9.911 -1.767 -7.060 1.00 0.29 C ATOM 129 CD1 ILE A 9 10.894 0.659 -8.632 1.00 0.36 C ATOM 0 H ILE A 9 12.466 0.650 -5.144 1.00 0.30 H new ATOM 0 HA ILE A 9 9.756 -0.223 -4.762 1.00 0.29 H new ATOM 0 HB ILE A 9 11.894 -0.968 -6.796 1.00 0.29 H new ATOM 0 HG12 ILE A 9 9.446 0.844 -7.040 1.00 0.36 H new ATOM 0 HG13 ILE A 9 11.036 1.455 -6.628 1.00 0.36 H new ATOM 0 HG21 ILE A 9 10.001 -1.833 -8.144 1.00 0.29 H new ATOM 0 HG22 ILE A 9 10.159 -2.731 -6.616 1.00 0.29 H new ATOM 0 HG23 ILE A 9 8.888 -1.499 -6.797 1.00 0.29 H new ATOM 0 HD11 ILE A 9 10.637 1.623 -9.071 1.00 0.36 H new ATOM 0 HD12 ILE A 9 11.966 0.489 -8.733 1.00 0.36 H new ATOM 0 HD13 ILE A 9 10.351 -0.131 -9.150 1.00 0.36 H new ATOM 141 N ALA A 10 12.152 -2.441 -4.273 1.00 0.25 N ATOM 142 CA ALA A 10 12.391 -3.780 -3.676 1.00 0.22 C ATOM 143 C ALA A 10 11.916 -3.812 -2.214 1.00 0.20 C ATOM 144 O ALA A 10 11.224 -4.721 -1.808 1.00 0.30 O ATOM 145 CB ALA A 10 13.897 -4.105 -3.752 1.00 0.25 C ATOM 0 H ALA A 10 12.989 -1.947 -4.581 1.00 0.25 H new ATOM 0 HA ALA A 10 11.826 -4.527 -4.233 1.00 0.22 H new ATOM 0 HB1 ALA A 10 14.080 -5.087 -3.315 1.00 0.25 H new ATOM 0 HB2 ALA A 10 14.217 -4.106 -4.794 1.00 0.25 H new ATOM 0 HB3 ALA A 10 14.460 -3.352 -3.200 1.00 0.25 H new ATOM 151 N GLU A 11 12.273 -2.839 -1.417 1.00 0.16 N ATOM 152 CA GLU A 11 11.824 -2.865 0.007 1.00 0.16 C ATOM 153 C GLU A 11 10.300 -2.902 0.028 1.00 0.12 C ATOM 154 O GLU A 11 9.696 -3.579 0.836 1.00 0.12 O ATOM 155 CB GLU A 11 12.309 -1.609 0.738 1.00 0.23 C ATOM 156 CG GLU A 11 13.793 -1.740 1.076 1.00 0.85 C ATOM 157 CD GLU A 11 13.983 -2.802 2.162 1.00 1.20 C ATOM 158 OE1 GLU A 11 13.023 -3.088 2.858 1.00 1.92 O ATOM 159 OE2 GLU A 11 15.086 -3.309 2.280 1.00 1.54 O ATOM 0 H GLU A 11 12.847 -2.039 -1.684 1.00 0.16 H new ATOM 0 HA GLU A 11 12.236 -3.742 0.506 1.00 0.16 H new ATOM 0 HB2 GLU A 11 12.146 -0.730 0.115 1.00 0.23 H new ATOM 0 HB3 GLU A 11 11.731 -1.464 1.651 1.00 0.23 H new ATOM 0 HG2 GLU A 11 14.356 -2.014 0.184 1.00 0.85 H new ATOM 0 HG3 GLU A 11 14.184 -0.782 1.418 1.00 0.85 H new ATOM 166 N PHE A 12 9.674 -2.180 -0.857 1.00 0.11 N ATOM 167 CA PHE A 12 8.188 -2.176 -0.891 1.00 0.07 C ATOM 168 C PHE A 12 7.680 -3.561 -1.289 1.00 0.04 C ATOM 169 O PHE A 12 6.735 -4.065 -0.717 1.00 0.06 O ATOM 170 CB PHE A 12 7.680 -1.140 -1.893 1.00 0.04 C ATOM 171 CG PHE A 12 8.212 0.264 -1.615 1.00 0.13 C ATOM 172 CD1 PHE A 12 8.806 0.629 -0.381 1.00 2.03 C ATOM 173 CD2 PHE A 12 8.083 1.227 -2.624 1.00 2.23 C ATOM 174 CE1 PHE A 12 9.255 1.942 -0.186 1.00 1.99 C ATOM 175 CE2 PHE A 12 8.537 2.533 -2.422 1.00 2.27 C ATOM 176 CZ PHE A 12 9.122 2.891 -1.205 1.00 0.30 C ATOM 0 H PHE A 12 10.127 -1.593 -1.557 1.00 0.11 H new ATOM 0 HA PHE A 12 7.816 -1.919 0.101 1.00 0.07 H new ATOM 0 HB2 PHE A 12 7.972 -1.441 -2.899 1.00 0.04 H new ATOM 0 HB3 PHE A 12 6.590 -1.122 -1.869 1.00 0.04 H new ATOM 0 HD1 PHE A 12 8.912 -0.102 0.406 1.00 2.03 H new ATOM 0 HD2 PHE A 12 7.629 0.958 -3.566 1.00 2.23 H new ATOM 0 HE1 PHE A 12 9.705 2.222 0.755 1.00 1.99 H new ATOM 0 HE2 PHE A 12 8.435 3.267 -3.208 1.00 2.27 H new ATOM 0 HZ PHE A 12 9.472 3.901 -1.051 1.00 0.30 H new ATOM 186 N LYS A 13 8.278 -4.184 -2.260 1.00 0.04 N ATOM 187 CA LYS A 13 7.800 -5.530 -2.679 1.00 0.04 C ATOM 188 C LYS A 13 7.967 -6.552 -1.553 1.00 0.06 C ATOM 189 O LYS A 13 7.091 -7.360 -1.314 1.00 0.10 O ATOM 190 CB LYS A 13 8.601 -5.978 -3.906 1.00 0.06 C ATOM 191 CG LYS A 13 8.293 -7.456 -4.243 1.00 0.14 C ATOM 192 CD LYS A 13 8.447 -7.701 -5.759 1.00 0.04 C ATOM 193 CE LYS A 13 7.123 -7.412 -6.484 1.00 0.14 C ATOM 194 NZ LYS A 13 6.414 -6.285 -5.815 1.00 0.79 N ATOM 0 H LYS A 13 9.076 -3.822 -2.782 1.00 0.04 H new ATOM 0 HA LYS A 13 6.739 -5.467 -2.920 1.00 0.04 H new ATOM 0 HB2 LYS A 13 8.355 -5.345 -4.759 1.00 0.06 H new ATOM 0 HB3 LYS A 13 9.667 -5.857 -3.716 1.00 0.06 H new ATOM 0 HG2 LYS A 13 8.968 -8.110 -3.691 1.00 0.14 H new ATOM 0 HG3 LYS A 13 7.279 -7.705 -3.928 1.00 0.14 H new ATOM 0 HD2 LYS A 13 9.235 -7.063 -6.159 1.00 0.04 H new ATOM 0 HD3 LYS A 13 8.750 -8.733 -5.939 1.00 0.04 H new ATOM 0 HE2 LYS A 13 7.316 -7.163 -7.527 1.00 0.14 H new ATOM 0 HE3 LYS A 13 6.494 -8.302 -6.480 1.00 0.14 H new ATOM 0 HZ1 LYS A 13 5.553 -6.050 -6.350 1.00 0.79 H new ATOM 0 HZ2 LYS A 13 6.155 -6.563 -4.847 1.00 0.79 H new ATOM 0 HZ3 LYS A 13 7.038 -5.454 -5.781 1.00 0.79 H new ATOM 208 N GLU A 14 9.069 -6.543 -0.860 1.00 0.06 N ATOM 209 CA GLU A 14 9.243 -7.539 0.233 1.00 0.09 C ATOM 210 C GLU A 14 8.161 -7.307 1.279 1.00 0.10 C ATOM 211 O GLU A 14 7.536 -8.232 1.767 1.00 0.18 O ATOM 212 CB GLU A 14 10.609 -7.353 0.891 1.00 0.11 C ATOM 213 CG GLU A 14 11.696 -7.552 -0.155 1.00 0.26 C ATOM 214 CD GLU A 14 13.071 -7.364 0.486 1.00 0.79 C ATOM 215 OE1 GLU A 14 13.132 -6.765 1.548 1.00 2.01 O ATOM 216 OE2 GLU A 14 14.041 -7.822 -0.095 1.00 0.55 O ATOM 0 H GLU A 14 9.848 -5.899 -0.999 1.00 0.06 H new ATOM 0 HA GLU A 14 9.172 -8.547 -0.177 1.00 0.09 H new ATOM 0 HB2 GLU A 14 10.684 -6.357 1.327 1.00 0.11 H new ATOM 0 HB3 GLU A 14 10.735 -8.067 1.705 1.00 0.11 H new ATOM 0 HG2 GLU A 14 11.619 -8.550 -0.587 1.00 0.26 H new ATOM 0 HG3 GLU A 14 11.564 -6.840 -0.970 1.00 0.26 H new ATOM 223 N ALA A 15 7.932 -6.073 1.629 1.00 0.03 N ATOM 224 CA ALA A 15 6.891 -5.778 2.649 1.00 0.08 C ATOM 225 C ALA A 15 5.529 -6.201 2.097 1.00 0.11 C ATOM 226 O ALA A 15 4.717 -6.776 2.791 1.00 0.16 O ATOM 227 CB ALA A 15 6.895 -4.283 2.993 1.00 0.10 C ATOM 0 H ALA A 15 8.419 -5.259 1.254 1.00 0.03 H new ATOM 0 HA ALA A 15 7.100 -6.333 3.563 1.00 0.08 H new ATOM 0 HB1 ALA A 15 6.128 -4.080 3.741 1.00 0.10 H new ATOM 0 HB2 ALA A 15 7.871 -4.003 3.389 1.00 0.10 H new ATOM 0 HB3 ALA A 15 6.688 -3.702 2.094 1.00 0.10 H new ATOM 233 N PHE A 16 5.274 -5.919 0.849 1.00 0.07 N ATOM 234 CA PHE A 16 3.975 -6.292 0.231 1.00 0.08 C ATOM 235 C PHE A 16 3.831 -7.809 0.224 1.00 0.09 C ATOM 236 O PHE A 16 2.759 -8.343 0.429 1.00 0.14 O ATOM 237 CB PHE A 16 3.966 -5.757 -1.203 1.00 0.09 C ATOM 238 CG PHE A 16 2.587 -5.851 -1.808 1.00 0.07 C ATOM 239 CD1 PHE A 16 2.200 -7.010 -2.493 1.00 0.11 C ATOM 240 CD2 PHE A 16 1.703 -4.768 -1.706 1.00 0.05 C ATOM 241 CE1 PHE A 16 0.931 -7.086 -3.078 1.00 0.11 C ATOM 242 CE2 PHE A 16 0.432 -4.846 -2.286 1.00 0.04 C ATOM 243 CZ PHE A 16 0.048 -6.004 -2.973 1.00 0.07 C ATOM 0 H PHE A 16 5.922 -5.439 0.224 1.00 0.07 H new ATOM 0 HA PHE A 16 3.144 -5.868 0.795 1.00 0.08 H new ATOM 0 HB2 PHE A 16 4.300 -4.719 -1.210 1.00 0.09 H new ATOM 0 HB3 PHE A 16 4.672 -6.323 -1.810 1.00 0.09 H new ATOM 0 HD1 PHE A 16 2.881 -7.845 -2.570 1.00 0.11 H new ATOM 0 HD2 PHE A 16 2.003 -3.874 -1.180 1.00 0.05 H new ATOM 0 HE1 PHE A 16 0.633 -7.978 -3.610 1.00 0.11 H new ATOM 0 HE2 PHE A 16 -0.252 -4.014 -2.204 1.00 0.04 H new ATOM 0 HZ PHE A 16 -0.932 -6.063 -3.423 1.00 0.07 H new ATOM 253 N SER A 17 4.891 -8.506 -0.052 1.00 0.20 N ATOM 254 CA SER A 17 4.811 -9.985 -0.122 1.00 0.22 C ATOM 255 C SER A 17 4.458 -10.630 1.224 1.00 0.20 C ATOM 256 O SER A 17 3.820 -11.662 1.288 1.00 0.21 O ATOM 257 CB SER A 17 6.156 -10.533 -0.597 1.00 0.32 C ATOM 258 OG SER A 17 7.171 -10.148 0.321 1.00 1.06 O ATOM 0 H SER A 17 5.815 -8.113 -0.233 1.00 0.20 H new ATOM 0 HA SER A 17 4.011 -10.233 -0.820 1.00 0.22 H new ATOM 0 HB2 SER A 17 6.112 -11.619 -0.674 1.00 0.32 H new ATOM 0 HB3 SER A 17 6.386 -10.152 -1.592 1.00 0.32 H new ATOM 0 HG SER A 17 6.826 -9.450 0.916 1.00 1.06 H new ATOM 264 N LEU A 18 4.888 -10.015 2.303 1.00 0.23 N ATOM 265 CA LEU A 18 4.615 -10.551 3.675 1.00 0.23 C ATOM 266 C LEU A 18 3.104 -10.674 3.910 1.00 0.18 C ATOM 267 O LEU A 18 2.665 -11.519 4.665 1.00 0.20 O ATOM 268 CB LEU A 18 5.192 -9.568 4.724 1.00 0.26 C ATOM 269 CG LEU A 18 6.676 -9.853 5.015 1.00 0.18 C ATOM 270 CD1 LEU A 18 7.269 -8.687 5.820 1.00 0.27 C ATOM 271 CD2 LEU A 18 6.815 -11.144 5.844 1.00 0.12 C ATOM 0 H LEU A 18 5.426 -9.149 2.288 1.00 0.23 H new ATOM 0 HA LEU A 18 5.078 -11.533 3.767 1.00 0.23 H new ATOM 0 HB2 LEU A 18 5.082 -8.545 4.364 1.00 0.26 H new ATOM 0 HB3 LEU A 18 4.619 -9.644 5.648 1.00 0.26 H new ATOM 0 HG LEU A 18 7.205 -9.968 4.069 1.00 0.18 H new ATOM 0 HD11 LEU A 18 8.320 -8.886 6.028 1.00 0.27 H new ATOM 0 HD12 LEU A 18 7.181 -7.766 5.244 1.00 0.27 H new ATOM 0 HD13 LEU A 18 6.727 -8.581 6.760 1.00 0.27 H new ATOM 0 HD21 LEU A 18 7.869 -11.336 6.044 1.00 0.12 H new ATOM 0 HD22 LEU A 18 6.281 -11.030 6.788 1.00 0.12 H new ATOM 0 HD23 LEU A 18 6.393 -11.981 5.288 1.00 0.12 H new ATOM 283 N PHE A 19 2.308 -9.826 3.306 1.00 0.15 N ATOM 284 CA PHE A 19 0.828 -9.883 3.540 1.00 0.11 C ATOM 285 C PHE A 19 0.125 -10.554 2.359 1.00 0.07 C ATOM 286 O PHE A 19 -1.085 -10.563 2.264 1.00 0.07 O ATOM 287 CB PHE A 19 0.318 -8.471 3.793 1.00 0.10 C ATOM 288 CG PHE A 19 1.009 -7.973 5.037 1.00 0.06 C ATOM 289 CD1 PHE A 19 2.316 -7.482 4.953 1.00 0.07 C ATOM 290 CD2 PHE A 19 0.363 -8.035 6.275 1.00 0.08 C ATOM 291 CE1 PHE A 19 2.980 -7.053 6.106 1.00 0.04 C ATOM 292 CE2 PHE A 19 1.025 -7.600 7.430 1.00 0.08 C ATOM 293 CZ PHE A 19 2.335 -7.111 7.345 1.00 0.02 C ATOM 0 H PHE A 19 2.617 -9.098 2.662 1.00 0.15 H new ATOM 0 HA PHE A 19 0.606 -10.490 4.418 1.00 0.11 H new ATOM 0 HB2 PHE A 19 0.537 -7.823 2.944 1.00 0.10 H new ATOM 0 HB3 PHE A 19 -0.764 -8.469 3.925 1.00 0.10 H new ATOM 0 HD1 PHE A 19 2.813 -7.434 3.995 1.00 0.07 H new ATOM 0 HD2 PHE A 19 -0.645 -8.418 6.341 1.00 0.08 H new ATOM 0 HE1 PHE A 19 3.990 -6.677 6.040 1.00 0.04 H new ATOM 0 HE2 PHE A 19 0.525 -7.642 8.387 1.00 0.08 H new ATOM 0 HZ PHE A 19 2.847 -6.779 8.236 1.00 0.02 H new ATOM 303 N ASP A 20 0.881 -11.189 1.506 1.00 0.06 N ATOM 304 CA ASP A 20 0.280 -11.954 0.376 1.00 0.05 C ATOM 305 C ASP A 20 0.291 -13.418 0.814 1.00 0.06 C ATOM 306 O ASP A 20 1.238 -14.142 0.579 1.00 0.09 O ATOM 307 CB ASP A 20 1.131 -11.783 -0.883 1.00 0.09 C ATOM 308 CG ASP A 20 0.511 -12.584 -2.029 1.00 0.13 C ATOM 309 OD1 ASP A 20 -0.508 -13.215 -1.801 1.00 1.13 O ATOM 310 OD2 ASP A 20 1.067 -12.555 -3.115 1.00 0.91 O ATOM 0 H ASP A 20 1.900 -11.211 1.544 1.00 0.06 H new ATOM 0 HA ASP A 20 -0.727 -11.607 0.146 1.00 0.05 H new ATOM 0 HB2 ASP A 20 1.192 -10.729 -1.153 1.00 0.09 H new ATOM 0 HB3 ASP A 20 2.149 -12.124 -0.696 1.00 0.09 H new ATOM 315 N LYS A 21 -0.720 -13.829 1.524 1.00 0.05 N ATOM 316 CA LYS A 21 -0.747 -15.214 2.075 1.00 0.08 C ATOM 317 C LYS A 21 -0.995 -16.277 1.014 1.00 0.01 C ATOM 318 O LYS A 21 -0.615 -17.416 1.201 1.00 0.02 O ATOM 319 CB LYS A 21 -1.842 -15.308 3.141 1.00 0.15 C ATOM 320 CG LYS A 21 -1.618 -14.241 4.223 1.00 0.16 C ATOM 321 CD LYS A 21 -0.375 -14.578 5.061 1.00 0.20 C ATOM 322 CE LYS A 21 -0.432 -13.819 6.389 1.00 0.35 C ATOM 323 NZ LYS A 21 -1.614 -14.279 7.169 1.00 2.14 N ATOM 0 H LYS A 21 -1.537 -13.261 1.749 1.00 0.05 H new ATOM 0 HA LYS A 21 0.238 -15.408 2.499 1.00 0.08 H new ATOM 0 HB2 LYS A 21 -2.821 -15.171 2.681 1.00 0.15 H new ATOM 0 HB3 LYS A 21 -1.838 -16.301 3.592 1.00 0.15 H new ATOM 0 HG2 LYS A 21 -1.496 -13.263 3.758 1.00 0.16 H new ATOM 0 HG3 LYS A 21 -2.494 -14.180 4.869 1.00 0.16 H new ATOM 0 HD2 LYS A 21 -0.328 -15.651 5.245 1.00 0.20 H new ATOM 0 HD3 LYS A 21 0.529 -14.308 4.515 1.00 0.20 H new ATOM 0 HE2 LYS A 21 0.482 -13.989 6.958 1.00 0.35 H new ATOM 0 HE3 LYS A 21 -0.498 -12.747 6.205 1.00 0.35 H new ATOM 0 HZ1 LYS A 21 -1.406 -14.212 8.186 1.00 2.14 H new ATOM 0 HZ2 LYS A 21 -2.434 -13.680 6.943 1.00 2.14 H new ATOM 0 HZ3 LYS A 21 -1.829 -15.267 6.924 1.00 2.14 H new ATOM 337 N ASP A 22 -1.658 -15.969 -0.063 1.00 0.05 N ATOM 338 CA ASP A 22 -1.954 -17.041 -1.071 1.00 0.12 C ATOM 339 C ASP A 22 -0.952 -16.992 -2.223 1.00 0.17 C ATOM 340 O ASP A 22 -1.028 -17.792 -3.133 1.00 0.24 O ATOM 341 CB ASP A 22 -3.364 -16.829 -1.628 1.00 0.17 C ATOM 342 CG ASP A 22 -4.396 -17.147 -0.543 1.00 0.26 C ATOM 343 OD1 ASP A 22 -4.045 -17.841 0.397 1.00 0.81 O ATOM 344 OD2 ASP A 22 -5.521 -16.692 -0.672 1.00 0.97 O ATOM 0 H ASP A 22 -2.006 -15.039 -0.294 1.00 0.05 H new ATOM 0 HA ASP A 22 -1.879 -18.012 -0.581 1.00 0.12 H new ATOM 0 HB2 ASP A 22 -3.482 -15.799 -1.966 1.00 0.17 H new ATOM 0 HB3 ASP A 22 -3.524 -17.469 -2.495 1.00 0.17 H new ATOM 349 N GLY A 23 -0.014 -16.083 -2.224 1.00 0.16 N ATOM 350 CA GLY A 23 0.958 -16.039 -3.350 1.00 0.24 C ATOM 351 C GLY A 23 0.240 -15.563 -4.613 1.00 0.27 C ATOM 352 O GLY A 23 0.557 -15.976 -5.711 1.00 0.34 O ATOM 0 H GLY A 23 0.119 -15.376 -1.501 1.00 0.16 H new ATOM 0 HA2 GLY A 23 1.781 -15.367 -3.110 1.00 0.24 H new ATOM 0 HA3 GLY A 23 1.390 -17.026 -3.513 1.00 0.24 H new ATOM 356 N ASP A 24 -0.722 -14.686 -4.464 1.00 0.23 N ATOM 357 CA ASP A 24 -1.468 -14.163 -5.651 1.00 0.28 C ATOM 358 C ASP A 24 -0.941 -12.776 -6.038 1.00 0.25 C ATOM 359 O ASP A 24 -1.333 -12.211 -7.039 1.00 0.30 O ATOM 360 CB ASP A 24 -2.964 -14.087 -5.338 1.00 0.31 C ATOM 361 CG ASP A 24 -3.741 -13.785 -6.622 1.00 0.54 C ATOM 362 OD1 ASP A 24 -3.197 -14.018 -7.689 1.00 1.66 O ATOM 363 OD2 ASP A 24 -4.867 -13.329 -6.515 1.00 0.49 O ATOM 0 H ASP A 24 -1.024 -14.308 -3.566 1.00 0.23 H new ATOM 0 HA ASP A 24 -1.316 -14.843 -6.489 1.00 0.28 H new ATOM 0 HB2 ASP A 24 -3.304 -15.029 -4.908 1.00 0.31 H new ATOM 0 HB3 ASP A 24 -3.152 -13.311 -4.596 1.00 0.31 H new ATOM 368 N GLY A 25 -0.038 -12.231 -5.264 1.00 0.17 N ATOM 369 CA GLY A 25 0.530 -10.895 -5.605 1.00 0.13 C ATOM 370 C GLY A 25 -0.433 -9.772 -5.200 1.00 0.11 C ATOM 371 O GLY A 25 -0.311 -8.655 -5.663 1.00 0.09 O ATOM 0 H GLY A 25 0.329 -12.654 -4.412 1.00 0.17 H new ATOM 0 HA2 GLY A 25 1.485 -10.761 -5.097 1.00 0.13 H new ATOM 0 HA3 GLY A 25 0.728 -10.842 -6.676 1.00 0.13 H new ATOM 375 N THR A 26 -1.398 -10.054 -4.351 1.00 0.12 N ATOM 376 CA THR A 26 -2.377 -8.995 -3.933 1.00 0.10 C ATOM 377 C THR A 26 -2.575 -9.006 -2.418 1.00 0.09 C ATOM 378 O THR A 26 -2.356 -9.997 -1.751 1.00 0.09 O ATOM 379 CB THR A 26 -3.728 -9.242 -4.610 1.00 0.13 C ATOM 380 OG1 THR A 26 -4.220 -10.520 -4.230 1.00 0.16 O ATOM 381 CG2 THR A 26 -3.560 -9.189 -6.129 1.00 0.13 C ATOM 0 H THR A 26 -1.549 -10.971 -3.930 1.00 0.12 H new ATOM 0 HA THR A 26 -1.978 -8.026 -4.233 1.00 0.10 H new ATOM 0 HB THR A 26 -4.435 -8.473 -4.299 1.00 0.13 H new ATOM 0 HG1 THR A 26 -5.086 -10.679 -4.661 1.00 0.16 H new ATOM 0 HG21 THR A 26 -4.523 -9.365 -6.608 1.00 0.13 H new ATOM 0 HG22 THR A 26 -3.184 -8.208 -6.420 1.00 0.13 H new ATOM 0 HG23 THR A 26 -2.853 -9.956 -6.444 1.00 0.13 H new ATOM 389 N ILE A 27 -3.017 -7.897 -1.886 1.00 0.08 N ATOM 390 CA ILE A 27 -3.276 -7.795 -0.419 1.00 0.06 C ATOM 391 C ILE A 27 -4.641 -7.139 -0.239 1.00 0.08 C ATOM 392 O ILE A 27 -5.112 -6.434 -1.108 1.00 0.11 O ATOM 393 CB ILE A 27 -2.192 -6.943 0.265 1.00 0.06 C ATOM 394 CG1 ILE A 27 -2.179 -5.522 -0.318 1.00 0.06 C ATOM 395 CG2 ILE A 27 -0.823 -7.598 0.056 1.00 0.07 C ATOM 396 CD1 ILE A 27 -1.123 -4.676 0.402 1.00 0.07 C ATOM 0 H ILE A 27 -3.212 -7.046 -2.413 1.00 0.08 H new ATOM 0 HA ILE A 27 -3.257 -8.786 0.036 1.00 0.06 H new ATOM 0 HB ILE A 27 -2.412 -6.881 1.331 1.00 0.06 H new ATOM 0 HG12 ILE A 27 -1.963 -5.559 -1.386 1.00 0.06 H new ATOM 0 HG13 ILE A 27 -3.162 -5.065 -0.208 1.00 0.06 H new ATOM 0 HG21 ILE A 27 -0.054 -6.996 0.540 1.00 0.07 H new ATOM 0 HG22 ILE A 27 -0.828 -8.598 0.490 1.00 0.07 H new ATOM 0 HG23 ILE A 27 -0.612 -7.667 -1.011 1.00 0.07 H new ATOM 0 HD11 ILE A 27 -1.117 -3.669 -0.015 1.00 0.07 H new ATOM 0 HD12 ILE A 27 -1.359 -4.627 1.465 1.00 0.07 H new ATOM 0 HD13 ILE A 27 -0.141 -5.129 0.269 1.00 0.07 H new ATOM 408 N THR A 28 -5.293 -7.362 0.863 1.00 0.08 N ATOM 409 CA THR A 28 -6.633 -6.742 1.056 1.00 0.09 C ATOM 410 C THR A 28 -6.489 -5.313 1.572 1.00 0.06 C ATOM 411 O THR A 28 -5.463 -4.922 2.092 1.00 0.02 O ATOM 412 CB THR A 28 -7.431 -7.540 2.084 1.00 0.11 C ATOM 413 OG1 THR A 28 -7.059 -7.117 3.392 1.00 0.09 O ATOM 414 CG2 THR A 28 -7.146 -9.035 1.926 1.00 0.12 C ATOM 0 H THR A 28 -4.962 -7.942 1.634 1.00 0.08 H new ATOM 0 HA THR A 28 -7.147 -6.739 0.095 1.00 0.09 H new ATOM 0 HB THR A 28 -8.496 -7.367 1.928 1.00 0.11 H new ATOM 0 HG1 THR A 28 -7.569 -7.624 4.057 1.00 0.09 H new ATOM 0 HG21 THR A 28 -7.720 -9.595 2.664 1.00 0.12 H new ATOM 0 HG22 THR A 28 -7.432 -9.356 0.924 1.00 0.12 H new ATOM 0 HG23 THR A 28 -6.083 -9.221 2.077 1.00 0.12 H new ATOM 422 N THR A 29 -7.530 -4.539 1.445 1.00 0.08 N ATOM 423 CA THR A 29 -7.504 -3.136 1.935 1.00 0.06 C ATOM 424 C THR A 29 -7.294 -3.101 3.455 1.00 0.07 C ATOM 425 O THR A 29 -6.672 -2.200 3.982 1.00 0.06 O ATOM 426 CB THR A 29 -8.841 -2.474 1.589 1.00 0.07 C ATOM 427 OG1 THR A 29 -9.901 -3.373 1.884 1.00 0.08 O ATOM 428 CG2 THR A 29 -8.868 -2.123 0.100 1.00 0.07 C ATOM 0 H THR A 29 -8.410 -4.825 1.016 1.00 0.08 H new ATOM 0 HA THR A 29 -6.681 -2.602 1.460 1.00 0.06 H new ATOM 0 HB THR A 29 -8.960 -1.564 2.177 1.00 0.07 H new ATOM 0 HG1 THR A 29 -10.758 -2.951 1.665 1.00 0.08 H new ATOM 0 HG21 THR A 29 -9.820 -1.652 -0.146 1.00 0.07 H new ATOM 0 HG22 THR A 29 -8.053 -1.435 -0.126 1.00 0.07 H new ATOM 0 HG23 THR A 29 -8.750 -3.032 -0.490 1.00 0.07 H new ATOM 436 N LYS A 30 -7.825 -4.058 4.165 1.00 0.10 N ATOM 437 CA LYS A 30 -7.680 -4.070 5.652 1.00 0.13 C ATOM 438 C LYS A 30 -6.214 -4.270 6.066 1.00 0.11 C ATOM 439 O LYS A 30 -5.839 -3.958 7.180 1.00 0.14 O ATOM 440 CB LYS A 30 -8.525 -5.211 6.221 1.00 0.17 C ATOM 441 CG LYS A 30 -10.008 -4.891 6.031 1.00 0.26 C ATOM 442 CD LYS A 30 -10.848 -6.029 6.609 1.00 0.39 C ATOM 443 CE LYS A 30 -12.333 -5.716 6.423 1.00 1.87 C ATOM 444 NZ LYS A 30 -12.686 -4.495 7.201 1.00 3.55 N ATOM 0 H LYS A 30 -8.357 -4.838 3.778 1.00 0.10 H new ATOM 0 HA LYS A 30 -8.017 -3.110 6.043 1.00 0.13 H new ATOM 0 HB2 LYS A 30 -8.277 -6.147 5.720 1.00 0.17 H new ATOM 0 HB3 LYS A 30 -8.304 -5.348 7.280 1.00 0.17 H new ATOM 0 HG2 LYS A 30 -10.256 -3.953 6.527 1.00 0.26 H new ATOM 0 HG3 LYS A 30 -10.231 -4.761 4.972 1.00 0.26 H new ATOM 0 HD2 LYS A 30 -10.599 -6.967 6.113 1.00 0.39 H new ATOM 0 HD3 LYS A 30 -10.623 -6.159 7.668 1.00 0.39 H new ATOM 0 HE2 LYS A 30 -12.554 -5.563 5.367 1.00 1.87 H new ATOM 0 HE3 LYS A 30 -12.938 -6.560 6.756 1.00 1.87 H new ATOM 0 HZ1 LYS A 30 -13.716 -4.460 7.344 1.00 3.55 H new ATOM 0 HZ2 LYS A 30 -12.209 -4.522 8.125 1.00 3.55 H new ATOM 0 HZ3 LYS A 30 -12.380 -3.650 6.678 1.00 3.55 H new ATOM 458 N GLU A 31 -5.387 -4.821 5.208 1.00 0.07 N ATOM 459 CA GLU A 31 -3.957 -5.074 5.602 1.00 0.08 C ATOM 460 C GLU A 31 -3.062 -3.946 5.078 1.00 0.08 C ATOM 461 O GLU A 31 -1.870 -3.932 5.311 1.00 0.17 O ATOM 462 CB GLU A 31 -3.491 -6.399 4.999 1.00 0.07 C ATOM 463 CG GLU A 31 -4.359 -7.540 5.535 1.00 0.10 C ATOM 464 CD GLU A 31 -4.116 -8.805 4.709 1.00 0.08 C ATOM 465 OE1 GLU A 31 -3.638 -8.680 3.593 1.00 0.25 O ATOM 466 OE2 GLU A 31 -4.412 -9.879 5.207 1.00 0.22 O ATOM 0 H GLU A 31 -5.634 -5.105 4.260 1.00 0.07 H new ATOM 0 HA GLU A 31 -3.890 -5.115 6.689 1.00 0.08 H new ATOM 0 HB2 GLU A 31 -3.557 -6.358 3.912 1.00 0.07 H new ATOM 0 HB3 GLU A 31 -2.445 -6.576 5.249 1.00 0.07 H new ATOM 0 HG2 GLU A 31 -4.124 -7.727 6.583 1.00 0.10 H new ATOM 0 HG3 GLU A 31 -5.412 -7.261 5.490 1.00 0.10 H new ATOM 473 N LEU A 32 -3.619 -3.004 4.371 1.00 0.08 N ATOM 474 CA LEU A 32 -2.785 -1.889 3.840 1.00 0.06 C ATOM 475 C LEU A 32 -2.131 -1.127 5.004 1.00 0.07 C ATOM 476 O LEU A 32 -0.939 -0.893 5.012 1.00 0.06 O ATOM 477 CB LEU A 32 -3.678 -0.948 3.018 1.00 0.05 C ATOM 478 CG LEU A 32 -2.926 0.338 2.660 1.00 0.03 C ATOM 479 CD1 LEU A 32 -1.598 -0.011 1.989 1.00 0.03 C ATOM 480 CD2 LEU A 32 -3.781 1.163 1.697 1.00 0.02 C ATOM 0 H LEU A 32 -4.611 -2.957 4.138 1.00 0.08 H new ATOM 0 HA LEU A 32 -1.996 -2.286 3.202 1.00 0.06 H new ATOM 0 HB2 LEU A 32 -4.003 -1.451 2.107 1.00 0.05 H new ATOM 0 HB3 LEU A 32 -4.576 -0.704 3.585 1.00 0.05 H new ATOM 0 HG LEU A 32 -2.730 0.911 3.566 1.00 0.03 H new ATOM 0 HD11 LEU A 32 -1.066 0.906 1.736 1.00 0.03 H new ATOM 0 HD12 LEU A 32 -0.991 -0.606 2.671 1.00 0.03 H new ATOM 0 HD13 LEU A 32 -1.788 -0.582 1.081 1.00 0.03 H new ATOM 0 HD21 LEU A 32 -3.253 2.081 1.437 1.00 0.02 H new ATOM 0 HD22 LEU A 32 -3.971 0.585 0.793 1.00 0.02 H new ATOM 0 HD23 LEU A 32 -4.729 1.412 2.174 1.00 0.02 H new ATOM 492 N GLY A 33 -2.903 -0.740 5.986 1.00 0.07 N ATOM 493 CA GLY A 33 -2.330 0.007 7.147 1.00 0.08 C ATOM 494 C GLY A 33 -1.171 -0.782 7.771 1.00 0.07 C ATOM 495 O GLY A 33 -0.123 -0.236 8.053 1.00 0.08 O ATOM 0 H GLY A 33 -3.908 -0.909 6.035 1.00 0.07 H new ATOM 0 HA2 GLY A 33 -1.978 0.985 6.820 1.00 0.08 H new ATOM 0 HA3 GLY A 33 -3.104 0.180 7.894 1.00 0.08 H new ATOM 499 N THR A 34 -1.352 -2.055 8.009 1.00 0.07 N ATOM 500 CA THR A 34 -0.255 -2.858 8.636 1.00 0.07 C ATOM 501 C THR A 34 0.984 -2.845 7.732 1.00 0.06 C ATOM 502 O THR A 34 2.096 -2.696 8.197 1.00 0.06 O ATOM 503 CB THR A 34 -0.722 -4.297 8.861 1.00 0.09 C ATOM 504 OG1 THR A 34 -1.914 -4.287 9.634 1.00 0.14 O ATOM 505 CG2 THR A 34 0.361 -5.080 9.605 1.00 0.07 C ATOM 0 H THR A 34 -2.205 -2.573 7.799 1.00 0.07 H new ATOM 0 HA THR A 34 0.002 -2.415 9.598 1.00 0.07 H new ATOM 0 HB THR A 34 -0.912 -4.772 7.899 1.00 0.09 H new ATOM 0 HG1 THR A 34 -2.218 -5.207 9.779 1.00 0.14 H new ATOM 0 HG21 THR A 34 0.025 -6.105 9.764 1.00 0.07 H new ATOM 0 HG22 THR A 34 1.277 -5.086 9.014 1.00 0.07 H new ATOM 0 HG23 THR A 34 0.554 -4.608 10.568 1.00 0.07 H new ATOM 513 N VAL A 35 0.808 -2.975 6.442 1.00 0.06 N ATOM 514 CA VAL A 35 1.990 -2.937 5.531 1.00 0.07 C ATOM 515 C VAL A 35 2.652 -1.563 5.681 1.00 0.05 C ATOM 516 O VAL A 35 3.859 -1.438 5.737 1.00 0.10 O ATOM 517 CB VAL A 35 1.537 -3.131 4.080 1.00 0.11 C ATOM 518 CG1 VAL A 35 2.707 -2.843 3.134 1.00 0.09 C ATOM 519 CG2 VAL A 35 1.062 -4.572 3.877 1.00 0.16 C ATOM 0 H VAL A 35 -0.094 -3.105 5.984 1.00 0.06 H new ATOM 0 HA VAL A 35 2.690 -3.732 5.786 1.00 0.07 H new ATOM 0 HB VAL A 35 0.717 -2.445 3.865 1.00 0.11 H new ATOM 0 HG11 VAL A 35 2.383 -2.981 2.102 1.00 0.09 H new ATOM 0 HG12 VAL A 35 3.044 -1.816 3.274 1.00 0.09 H new ATOM 0 HG13 VAL A 35 3.528 -3.527 3.352 1.00 0.09 H new ATOM 0 HG21 VAL A 35 0.740 -4.707 2.844 1.00 0.16 H new ATOM 0 HG22 VAL A 35 1.880 -5.259 4.095 1.00 0.16 H new ATOM 0 HG23 VAL A 35 0.227 -4.778 4.547 1.00 0.16 H new ATOM 529 N MET A 36 1.850 -0.536 5.755 1.00 0.09 N ATOM 530 CA MET A 36 2.392 0.844 5.913 1.00 0.06 C ATOM 531 C MET A 36 3.177 0.942 7.233 1.00 0.04 C ATOM 532 O MET A 36 4.284 1.442 7.276 1.00 0.08 O ATOM 533 CB MET A 36 1.232 1.847 5.920 1.00 0.05 C ATOM 534 CG MET A 36 0.723 2.074 4.492 1.00 0.14 C ATOM 535 SD MET A 36 -0.428 3.472 4.483 1.00 1.20 S ATOM 536 CE MET A 36 -0.449 3.754 2.694 1.00 0.40 C ATOM 0 H MET A 36 0.833 -0.595 5.712 1.00 0.09 H new ATOM 0 HA MET A 36 3.061 1.072 5.083 1.00 0.06 H new ATOM 0 HB2 MET A 36 0.423 1.474 6.548 1.00 0.05 H new ATOM 0 HB3 MET A 36 1.561 2.792 6.352 1.00 0.05 H new ATOM 0 HG2 MET A 36 1.560 2.273 3.822 1.00 0.14 H new ATOM 0 HG3 MET A 36 0.226 1.176 4.124 1.00 0.14 H new ATOM 0 HE1 MET A 36 -0.032 4.737 2.476 1.00 0.40 H new ATOM 0 HE2 MET A 36 0.147 2.988 2.198 1.00 0.40 H new ATOM 0 HE3 MET A 36 -1.475 3.707 2.330 1.00 0.40 H new ATOM 546 N ARG A 37 2.608 0.446 8.306 1.00 0.09 N ATOM 547 CA ARG A 37 3.302 0.478 9.634 1.00 0.12 C ATOM 548 C ARG A 37 4.620 -0.299 9.535 1.00 0.08 C ATOM 549 O ARG A 37 5.631 0.108 10.072 1.00 0.09 O ATOM 550 CB ARG A 37 2.399 -0.181 10.686 1.00 0.23 C ATOM 551 CG ARG A 37 1.324 0.820 11.146 1.00 0.27 C ATOM 552 CD ARG A 37 1.948 1.937 12.019 1.00 0.86 C ATOM 553 NE ARG A 37 1.097 2.174 13.229 1.00 0.40 N ATOM 554 CZ ARG A 37 -0.202 2.302 13.135 1.00 0.76 C ATOM 555 NH1 ARG A 37 -0.785 2.339 11.969 1.00 0.69 N ATOM 556 NH2 ARG A 37 -0.917 2.429 14.217 1.00 1.54 N ATOM 0 H ARG A 37 1.683 0.016 8.319 1.00 0.09 H new ATOM 0 HA ARG A 37 3.508 1.509 9.920 1.00 0.12 H new ATOM 0 HB2 ARG A 37 1.927 -1.070 10.269 1.00 0.23 H new ATOM 0 HB3 ARG A 37 2.995 -0.507 11.538 1.00 0.23 H new ATOM 0 HG2 ARG A 37 0.836 1.262 10.277 1.00 0.27 H new ATOM 0 HG3 ARG A 37 0.553 0.298 11.713 1.00 0.27 H new ATOM 0 HD2 ARG A 37 2.956 1.653 12.322 1.00 0.86 H new ATOM 0 HD3 ARG A 37 2.036 2.856 11.440 1.00 0.86 H new ATOM 0 HE ARG A 37 1.540 2.237 14.146 1.00 0.40 H new ATOM 0 HH11 ARG A 37 -0.228 2.268 11.118 1.00 0.69 H new ATOM 0 HH12 ARG A 37 -1.798 2.439 11.908 1.00 0.69 H new ATOM 0 HH21 ARG A 37 -0.464 2.428 15.131 1.00 1.54 H new ATOM 0 HH22 ARG A 37 -1.930 2.529 14.150 1.00 1.54 H new ATOM 570 N SER A 38 4.623 -1.405 8.838 1.00 0.08 N ATOM 571 CA SER A 38 5.883 -2.189 8.685 1.00 0.10 C ATOM 572 C SER A 38 6.857 -1.392 7.807 1.00 0.10 C ATOM 573 O SER A 38 8.057 -1.568 7.889 1.00 0.13 O ATOM 574 CB SER A 38 5.586 -3.544 8.041 1.00 0.16 C ATOM 575 OG SER A 38 5.219 -3.347 6.681 1.00 0.13 O ATOM 0 H SER A 38 3.808 -1.799 8.368 1.00 0.08 H new ATOM 0 HA SER A 38 6.327 -2.364 9.665 1.00 0.10 H new ATOM 0 HB2 SER A 38 6.462 -4.189 8.104 1.00 0.16 H new ATOM 0 HB3 SER A 38 4.781 -4.046 8.578 1.00 0.16 H new ATOM 0 HG SER A 38 4.760 -2.486 6.587 1.00 0.13 H new ATOM 581 N LEU A 39 6.364 -0.522 6.960 1.00 0.10 N ATOM 582 CA LEU A 39 7.287 0.263 6.083 1.00 0.16 C ATOM 583 C LEU A 39 7.806 1.503 6.825 1.00 0.14 C ATOM 584 O LEU A 39 8.666 2.207 6.336 1.00 0.18 O ATOM 585 CB LEU A 39 6.555 0.707 4.809 1.00 0.22 C ATOM 586 CG LEU A 39 6.350 -0.486 3.862 1.00 0.26 C ATOM 587 CD1 LEU A 39 5.500 -0.030 2.672 1.00 0.27 C ATOM 588 CD2 LEU A 39 7.712 -1.018 3.358 1.00 0.25 C ATOM 0 H LEU A 39 5.371 -0.323 6.838 1.00 0.10 H new ATOM 0 HA LEU A 39 8.130 -0.375 5.816 1.00 0.16 H new ATOM 0 HB2 LEU A 39 5.590 1.142 5.070 1.00 0.22 H new ATOM 0 HB3 LEU A 39 7.129 1.484 4.305 1.00 0.22 H new ATOM 0 HG LEU A 39 5.845 -1.290 4.398 1.00 0.26 H new ATOM 0 HD11 LEU A 39 5.347 -0.868 1.992 1.00 0.27 H new ATOM 0 HD12 LEU A 39 4.535 0.328 3.030 1.00 0.27 H new ATOM 0 HD13 LEU A 39 6.013 0.775 2.146 1.00 0.27 H new ATOM 0 HD21 LEU A 39 7.548 -1.863 2.689 1.00 0.25 H new ATOM 0 HD22 LEU A 39 8.236 -0.227 2.822 1.00 0.25 H new ATOM 0 HD23 LEU A 39 8.314 -1.340 4.208 1.00 0.25 H new ATOM 600 N GLY A 40 7.314 1.768 8.012 1.00 0.09 N ATOM 601 CA GLY A 40 7.805 2.953 8.791 1.00 0.12 C ATOM 602 C GLY A 40 6.898 4.169 8.579 1.00 0.20 C ATOM 603 O GLY A 40 7.362 5.292 8.578 1.00 0.23 O ATOM 0 H GLY A 40 6.593 1.216 8.476 1.00 0.09 H new ATOM 0 HA2 GLY A 40 7.842 2.704 9.852 1.00 0.12 H new ATOM 0 HA3 GLY A 40 8.822 3.197 8.485 1.00 0.12 H new ATOM 607 N GLN A 41 5.614 3.967 8.419 1.00 0.21 N ATOM 608 CA GLN A 41 4.675 5.120 8.229 1.00 0.28 C ATOM 609 C GLN A 41 3.564 5.012 9.275 1.00 0.28 C ATOM 610 O GLN A 41 3.242 3.932 9.730 1.00 0.24 O ATOM 611 CB GLN A 41 4.063 5.047 6.827 1.00 0.29 C ATOM 612 CG GLN A 41 5.134 5.372 5.783 1.00 0.36 C ATOM 613 CD GLN A 41 4.527 5.269 4.383 1.00 0.90 C ATOM 614 OE1 GLN A 41 3.548 4.577 4.183 1.00 1.65 O ATOM 615 NE2 GLN A 41 5.067 5.934 3.398 1.00 1.77 N ATOM 0 H GLN A 41 5.171 3.048 8.412 1.00 0.21 H new ATOM 0 HA GLN A 41 5.207 6.065 8.341 1.00 0.28 H new ATOM 0 HB2 GLN A 41 3.656 4.052 6.648 1.00 0.29 H new ATOM 0 HB3 GLN A 41 3.234 5.750 6.744 1.00 0.29 H new ATOM 0 HG2 GLN A 41 5.526 6.376 5.948 1.00 0.36 H new ATOM 0 HG3 GLN A 41 5.973 4.682 5.879 1.00 0.36 H new ATOM 0 HE21 GLN A 41 5.889 6.515 3.565 1.00 1.77 H new ATOM 0 HE22 GLN A 41 4.667 5.873 2.462 1.00 1.77 H new ATOM 624 N ASN A 42 2.982 6.115 9.678 1.00 0.33 N ATOM 625 CA ASN A 42 1.899 6.097 10.712 1.00 0.33 C ATOM 626 C ASN A 42 0.720 6.931 10.201 1.00 0.35 C ATOM 627 O ASN A 42 0.597 8.097 10.521 1.00 0.40 O ATOM 628 CB ASN A 42 2.431 6.723 12.004 1.00 0.39 C ATOM 629 CG ASN A 42 1.405 6.532 13.123 1.00 0.41 C ATOM 630 OD1 ASN A 42 0.520 5.707 13.016 1.00 1.24 O ATOM 631 ND2 ASN A 42 1.487 7.264 14.200 1.00 1.44 N ATOM 0 H ASN A 42 3.216 7.044 9.328 1.00 0.33 H new ATOM 0 HA ASN A 42 1.579 5.073 10.903 1.00 0.33 H new ATOM 0 HB2 ASN A 42 3.378 6.261 12.282 1.00 0.39 H new ATOM 0 HB3 ASN A 42 2.627 7.785 11.853 1.00 0.39 H new ATOM 0 HD21 ASN A 42 0.808 7.143 14.952 1.00 1.44 H new ATOM 0 HD22 ASN A 42 2.230 7.957 14.290 1.00 1.44 H new ATOM 638 N PRO A 43 -0.128 6.351 9.393 1.00 0.32 N ATOM 639 CA PRO A 43 -1.298 7.061 8.807 1.00 0.34 C ATOM 640 C PRO A 43 -2.512 7.103 9.747 1.00 0.33 C ATOM 641 O PRO A 43 -2.706 6.211 10.549 1.00 0.34 O ATOM 642 CB PRO A 43 -1.600 6.218 7.560 1.00 0.33 C ATOM 643 CG PRO A 43 -1.232 4.823 7.946 1.00 0.28 C ATOM 644 CD PRO A 43 -0.072 4.943 8.945 1.00 0.27 C ATOM 0 HA PRO A 43 -1.086 8.111 8.604 1.00 0.34 H new ATOM 0 HB2 PRO A 43 -2.651 6.287 7.281 1.00 0.33 H new ATOM 0 HB3 PRO A 43 -1.019 6.558 6.702 1.00 0.33 H new ATOM 0 HG2 PRO A 43 -2.081 4.308 8.396 1.00 0.28 H new ATOM 0 HG3 PRO A 43 -0.934 4.244 7.072 1.00 0.28 H new ATOM 0 HD2 PRO A 43 -0.192 4.253 9.781 1.00 0.27 H new ATOM 0 HD3 PRO A 43 0.884 4.711 8.476 1.00 0.27 H new ATOM 652 N THR A 44 -3.343 8.114 9.654 1.00 0.33 N ATOM 653 CA THR A 44 -4.538 8.160 10.547 1.00 0.32 C ATOM 654 C THR A 44 -5.643 7.301 9.939 1.00 0.32 C ATOM 655 O THR A 44 -5.544 6.852 8.815 1.00 0.33 O ATOM 656 CB THR A 44 -5.053 9.591 10.698 1.00 0.31 C ATOM 657 OG1 THR A 44 -5.257 10.155 9.415 1.00 0.31 O ATOM 658 CG2 THR A 44 -4.039 10.427 11.480 1.00 0.38 C ATOM 0 H THR A 44 -3.246 8.897 9.008 1.00 0.33 H new ATOM 0 HA THR A 44 -4.253 7.785 11.530 1.00 0.32 H new ATOM 0 HB THR A 44 -5.997 9.582 11.242 1.00 0.31 H new ATOM 0 HG1 THR A 44 -5.589 11.072 9.510 1.00 0.31 H new ATOM 0 HG21 THR A 44 -4.411 11.446 11.585 1.00 0.38 H new ATOM 0 HG22 THR A 44 -3.893 9.991 12.468 1.00 0.38 H new ATOM 0 HG23 THR A 44 -3.089 10.441 10.945 1.00 0.38 H new ATOM 666 N GLU A 45 -6.691 7.054 10.671 1.00 0.32 N ATOM 667 CA GLU A 45 -7.785 6.207 10.128 1.00 0.32 C ATOM 668 C GLU A 45 -8.453 6.901 8.934 1.00 0.25 C ATOM 669 O GLU A 45 -8.723 6.284 7.922 1.00 0.23 O ATOM 670 CB GLU A 45 -8.812 5.956 11.229 1.00 0.35 C ATOM 671 CG GLU A 45 -8.261 4.930 12.223 1.00 0.51 C ATOM 672 CD GLU A 45 -8.217 3.549 11.565 1.00 0.44 C ATOM 673 OE1 GLU A 45 -8.905 3.365 10.574 1.00 1.20 O ATOM 674 OE2 GLU A 45 -7.496 2.700 12.062 1.00 1.56 O ATOM 0 H GLU A 45 -6.837 7.401 11.619 1.00 0.32 H new ATOM 0 HA GLU A 45 -7.373 5.257 9.787 1.00 0.32 H new ATOM 0 HB2 GLU A 45 -9.043 6.888 11.744 1.00 0.35 H new ATOM 0 HB3 GLU A 45 -9.744 5.593 10.795 1.00 0.35 H new ATOM 0 HG2 GLU A 45 -7.262 5.222 12.546 1.00 0.51 H new ATOM 0 HG3 GLU A 45 -8.888 4.899 13.114 1.00 0.51 H new ATOM 681 N ALA A 46 -8.728 8.172 9.034 1.00 0.22 N ATOM 682 CA ALA A 46 -9.384 8.877 7.895 1.00 0.16 C ATOM 683 C ALA A 46 -8.466 8.842 6.668 1.00 0.18 C ATOM 684 O ALA A 46 -8.922 8.676 5.553 1.00 0.17 O ATOM 685 CB ALA A 46 -9.678 10.328 8.289 1.00 0.12 C ATOM 0 H ALA A 46 -8.529 8.751 9.850 1.00 0.22 H new ATOM 0 HA ALA A 46 -10.321 8.377 7.651 1.00 0.16 H new ATOM 0 HB1 ALA A 46 -10.157 10.841 7.455 1.00 0.12 H new ATOM 0 HB2 ALA A 46 -10.341 10.343 9.154 1.00 0.12 H new ATOM 0 HB3 ALA A 46 -8.745 10.833 8.538 1.00 0.12 H new ATOM 691 N GLU A 47 -7.179 8.973 6.854 1.00 0.22 N ATOM 692 CA GLU A 47 -6.261 8.918 5.680 1.00 0.27 C ATOM 693 C GLU A 47 -6.298 7.505 5.111 1.00 0.29 C ATOM 694 O GLU A 47 -6.286 7.311 3.916 1.00 0.32 O ATOM 695 CB GLU A 47 -4.828 9.248 6.098 1.00 0.32 C ATOM 696 CG GLU A 47 -4.717 10.730 6.459 1.00 0.32 C ATOM 697 CD GLU A 47 -3.281 11.048 6.881 1.00 0.59 C ATOM 698 OE1 GLU A 47 -2.517 10.114 7.060 1.00 0.97 O ATOM 699 OE2 GLU A 47 -2.971 12.220 7.020 1.00 0.46 O ATOM 0 H GLU A 47 -6.728 9.114 7.758 1.00 0.22 H new ATOM 0 HA GLU A 47 -6.583 9.648 4.937 1.00 0.27 H new ATOM 0 HB2 GLU A 47 -4.539 8.635 6.951 1.00 0.32 H new ATOM 0 HB3 GLU A 47 -4.140 9.010 5.287 1.00 0.32 H new ATOM 0 HG2 GLU A 47 -5.001 11.345 5.605 1.00 0.32 H new ATOM 0 HG3 GLU A 47 -5.407 10.970 7.268 1.00 0.32 H new ATOM 706 N LEU A 48 -6.364 6.507 5.956 1.00 0.30 N ATOM 707 CA LEU A 48 -6.417 5.109 5.449 1.00 0.33 C ATOM 708 C LEU A 48 -7.722 4.907 4.680 1.00 0.29 C ATOM 709 O LEU A 48 -7.741 4.302 3.631 1.00 0.31 O ATOM 710 CB LEU A 48 -6.353 4.111 6.624 1.00 0.36 C ATOM 711 CG LEU A 48 -4.889 3.829 7.018 1.00 0.35 C ATOM 712 CD1 LEU A 48 -4.830 3.355 8.479 1.00 0.49 C ATOM 713 CD2 LEU A 48 -4.296 2.736 6.107 1.00 0.65 C ATOM 0 H LEU A 48 -6.383 6.603 6.971 1.00 0.30 H new ATOM 0 HA LEU A 48 -5.565 4.933 4.792 1.00 0.33 H new ATOM 0 HB2 LEU A 48 -6.894 4.514 7.480 1.00 0.36 H new ATOM 0 HB3 LEU A 48 -6.846 3.180 6.344 1.00 0.36 H new ATOM 0 HG LEU A 48 -4.311 4.746 6.904 1.00 0.35 H new ATOM 0 HD11 LEU A 48 -3.795 3.156 8.755 1.00 0.49 H new ATOM 0 HD12 LEU A 48 -5.237 4.129 9.129 1.00 0.49 H new ATOM 0 HD13 LEU A 48 -5.417 2.443 8.590 1.00 0.49 H new ATOM 0 HD21 LEU A 48 -3.262 2.545 6.394 1.00 0.65 H new ATOM 0 HD22 LEU A 48 -4.877 1.820 6.212 1.00 0.65 H new ATOM 0 HD23 LEU A 48 -4.329 3.069 5.070 1.00 0.65 H new ATOM 725 N GLN A 49 -8.818 5.385 5.195 1.00 0.24 N ATOM 726 CA GLN A 49 -10.107 5.175 4.485 1.00 0.18 C ATOM 727 C GLN A 49 -10.089 5.871 3.124 1.00 0.18 C ATOM 728 O GLN A 49 -10.612 5.363 2.151 1.00 0.16 O ATOM 729 CB GLN A 49 -11.268 5.721 5.324 1.00 0.15 C ATOM 730 CG GLN A 49 -11.545 4.789 6.508 1.00 0.17 C ATOM 731 CD GLN A 49 -12.809 5.254 7.232 1.00 1.05 C ATOM 732 OE1 GLN A 49 -12.938 6.414 7.566 1.00 1.40 O ATOM 733 NE2 GLN A 49 -13.754 4.392 7.488 1.00 2.25 N ATOM 0 H GLN A 49 -8.877 5.907 6.069 1.00 0.24 H new ATOM 0 HA GLN A 49 -10.244 4.104 4.334 1.00 0.18 H new ATOM 0 HB2 GLN A 49 -11.027 6.720 5.686 1.00 0.15 H new ATOM 0 HB3 GLN A 49 -12.162 5.813 4.707 1.00 0.15 H new ATOM 0 HG2 GLN A 49 -11.669 3.764 6.158 1.00 0.17 H new ATOM 0 HG3 GLN A 49 -10.698 4.791 7.194 1.00 0.17 H new ATOM 0 HE21 GLN A 49 -13.645 3.417 7.207 1.00 2.25 H new ATOM 0 HE22 GLN A 49 -14.602 4.693 7.969 1.00 2.25 H new ATOM 742 N ASP A 50 -9.509 7.040 3.045 1.00 0.21 N ATOM 743 CA ASP A 50 -9.485 7.764 1.746 1.00 0.23 C ATOM 744 C ASP A 50 -8.612 6.977 0.772 1.00 0.26 C ATOM 745 O ASP A 50 -8.952 6.809 -0.382 1.00 0.27 O ATOM 746 CB ASP A 50 -8.927 9.179 1.932 1.00 0.25 C ATOM 747 CG ASP A 50 -8.945 9.920 0.592 1.00 0.95 C ATOM 748 OD1 ASP A 50 -9.373 9.329 -0.386 1.00 1.73 O ATOM 749 OD2 ASP A 50 -8.533 11.069 0.567 1.00 1.54 O ATOM 0 H ASP A 50 -9.054 7.520 3.821 1.00 0.21 H new ATOM 0 HA ASP A 50 -10.498 7.851 1.353 1.00 0.23 H new ATOM 0 HB2 ASP A 50 -9.522 9.721 2.667 1.00 0.25 H new ATOM 0 HB3 ASP A 50 -7.909 9.131 2.319 1.00 0.25 H new ATOM 754 N MET A 51 -7.495 6.483 1.223 1.00 0.31 N ATOM 755 CA MET A 51 -6.621 5.698 0.312 1.00 0.34 C ATOM 756 C MET A 51 -7.373 4.435 -0.107 1.00 0.30 C ATOM 757 O MET A 51 -7.179 3.916 -1.188 1.00 0.33 O ATOM 758 CB MET A 51 -5.325 5.339 1.035 1.00 0.40 C ATOM 759 CG MET A 51 -4.545 6.626 1.304 1.00 0.42 C ATOM 760 SD MET A 51 -2.992 6.238 2.146 1.00 0.53 S ATOM 761 CE MET A 51 -1.962 6.077 0.666 1.00 0.48 C ATOM 0 H MET A 51 -7.151 6.588 2.177 1.00 0.31 H new ATOM 0 HA MET A 51 -6.369 6.280 -0.574 1.00 0.34 H new ATOM 0 HB2 MET A 51 -5.544 4.826 1.972 1.00 0.40 H new ATOM 0 HB3 MET A 51 -4.730 4.656 0.429 1.00 0.40 H new ATOM 0 HG2 MET A 51 -4.341 7.141 0.365 1.00 0.42 H new ATOM 0 HG3 MET A 51 -5.142 7.302 1.916 1.00 0.42 H new ATOM 0 HE1 MET A 51 -0.917 6.242 0.930 1.00 0.48 H new ATOM 0 HE2 MET A 51 -2.077 5.076 0.250 1.00 0.48 H new ATOM 0 HE3 MET A 51 -2.270 6.816 -0.074 1.00 0.48 H new ATOM 771 N ILE A 52 -8.227 3.927 0.745 1.00 0.24 N ATOM 772 CA ILE A 52 -8.983 2.693 0.401 1.00 0.20 C ATOM 773 C ILE A 52 -10.078 3.012 -0.619 1.00 0.14 C ATOM 774 O ILE A 52 -10.281 2.293 -1.577 1.00 0.14 O ATOM 775 CB ILE A 52 -9.605 2.109 1.673 1.00 0.20 C ATOM 776 CG1 ILE A 52 -8.493 1.590 2.605 1.00 0.28 C ATOM 777 CG2 ILE A 52 -10.547 0.956 1.310 1.00 0.19 C ATOM 778 CD1 ILE A 52 -9.000 1.496 4.053 1.00 0.34 C ATOM 0 H ILE A 52 -8.431 4.317 1.665 1.00 0.24 H new ATOM 0 HA ILE A 52 -8.302 1.964 -0.038 1.00 0.20 H new ATOM 0 HB ILE A 52 -10.170 2.889 2.183 1.00 0.20 H new ATOM 0 HG12 ILE A 52 -8.156 0.610 2.268 1.00 0.28 H new ATOM 0 HG13 ILE A 52 -7.632 2.256 2.558 1.00 0.28 H new ATOM 0 HG21 ILE A 52 -10.986 0.545 2.219 1.00 0.19 H new ATOM 0 HG22 ILE A 52 -11.339 1.325 0.659 1.00 0.19 H new ATOM 0 HG23 ILE A 52 -9.986 0.177 0.794 1.00 0.19 H new ATOM 0 HD11 ILE A 52 -8.200 1.128 4.695 1.00 0.34 H new ATOM 0 HD12 ILE A 52 -9.313 2.483 4.394 1.00 0.34 H new ATOM 0 HD13 ILE A 52 -9.846 0.811 4.098 1.00 0.34 H new ATOM 790 N ASN A 53 -10.790 4.074 -0.416 1.00 0.12 N ATOM 791 CA ASN A 53 -11.877 4.432 -1.365 1.00 0.18 C ATOM 792 C ASN A 53 -11.297 4.772 -2.736 1.00 0.24 C ATOM 793 O ASN A 53 -11.970 4.662 -3.740 1.00 0.28 O ATOM 794 CB ASN A 53 -12.621 5.663 -0.815 1.00 0.27 C ATOM 795 CG ASN A 53 -14.009 5.768 -1.456 1.00 0.69 C ATOM 796 OD1 ASN A 53 -14.520 4.806 -1.996 1.00 1.12 O ATOM 797 ND2 ASN A 53 -14.645 6.906 -1.415 1.00 1.92 N ATOM 0 H ASN A 53 -10.669 4.715 0.368 1.00 0.12 H new ATOM 0 HA ASN A 53 -12.557 3.586 -1.471 1.00 0.18 H new ATOM 0 HB2 ASN A 53 -12.717 5.586 0.268 1.00 0.27 H new ATOM 0 HB3 ASN A 53 -12.047 6.567 -1.021 1.00 0.27 H new ATOM 0 HD21 ASN A 53 -15.570 6.988 -1.836 1.00 1.92 H new ATOM 0 HD22 ASN A 53 -14.217 7.713 -0.962 1.00 1.92 H new ATOM 804 N GLU A 54 -10.067 5.211 -2.797 1.00 0.26 N ATOM 805 CA GLU A 54 -9.481 5.583 -4.117 1.00 0.34 C ATOM 806 C GLU A 54 -9.033 4.322 -4.871 1.00 0.36 C ATOM 807 O GLU A 54 -9.330 4.149 -6.037 1.00 0.37 O ATOM 808 CB GLU A 54 -8.276 6.516 -3.897 1.00 0.39 C ATOM 809 CG GLU A 54 -8.756 7.957 -3.666 1.00 0.62 C ATOM 810 CD GLU A 54 -7.545 8.869 -3.449 1.00 0.57 C ATOM 811 OE1 GLU A 54 -6.452 8.346 -3.303 1.00 1.81 O ATOM 812 OE2 GLU A 54 -7.731 10.075 -3.434 1.00 0.90 O ATOM 0 H GLU A 54 -9.447 5.327 -1.995 1.00 0.26 H new ATOM 0 HA GLU A 54 -10.236 6.097 -4.712 1.00 0.34 H new ATOM 0 HB2 GLU A 54 -7.696 6.176 -3.039 1.00 0.39 H new ATOM 0 HB3 GLU A 54 -7.616 6.479 -4.763 1.00 0.39 H new ATOM 0 HG2 GLU A 54 -9.335 8.301 -4.523 1.00 0.62 H new ATOM 0 HG3 GLU A 54 -9.415 7.998 -2.799 1.00 0.62 H new ATOM 819 N VAL A 55 -8.290 3.462 -4.235 1.00 0.37 N ATOM 820 CA VAL A 55 -7.783 2.238 -4.925 1.00 0.40 C ATOM 821 C VAL A 55 -8.903 1.257 -5.227 1.00 0.32 C ATOM 822 O VAL A 55 -8.782 0.442 -6.121 1.00 0.32 O ATOM 823 CB VAL A 55 -6.740 1.561 -4.041 1.00 0.40 C ATOM 824 CG1 VAL A 55 -6.264 0.275 -4.710 1.00 0.45 C ATOM 825 CG2 VAL A 55 -5.553 2.505 -3.840 1.00 0.54 C ATOM 0 H VAL A 55 -8.008 3.553 -3.259 1.00 0.37 H new ATOM 0 HA VAL A 55 -7.341 2.542 -5.874 1.00 0.40 H new ATOM 0 HB VAL A 55 -7.181 1.323 -3.073 1.00 0.40 H new ATOM 0 HG11 VAL A 55 -5.519 -0.209 -4.079 1.00 0.45 H new ATOM 0 HG12 VAL A 55 -7.111 -0.396 -4.852 1.00 0.45 H new ATOM 0 HG13 VAL A 55 -5.822 0.511 -5.678 1.00 0.45 H new ATOM 0 HG21 VAL A 55 -4.807 2.022 -3.208 1.00 0.54 H new ATOM 0 HG22 VAL A 55 -5.110 2.744 -4.807 1.00 0.54 H new ATOM 0 HG23 VAL A 55 -5.895 3.423 -3.361 1.00 0.54 H new ATOM 835 N ASP A 56 -9.977 1.308 -4.502 1.00 0.25 N ATOM 836 CA ASP A 56 -11.110 0.354 -4.750 1.00 0.22 C ATOM 837 C ASP A 56 -12.304 1.121 -5.305 1.00 0.36 C ATOM 838 O ASP A 56 -13.422 0.992 -4.847 1.00 0.45 O ATOM 839 CB ASP A 56 -11.489 -0.345 -3.444 1.00 0.16 C ATOM 840 CG ASP A 56 -12.698 -1.234 -3.695 1.00 0.25 C ATOM 841 OD1 ASP A 56 -13.068 -1.365 -4.846 1.00 0.95 O ATOM 842 OD2 ASP A 56 -13.235 -1.764 -2.736 1.00 0.96 O ATOM 0 H ASP A 56 -10.130 1.970 -3.741 1.00 0.25 H new ATOM 0 HA ASP A 56 -10.803 -0.400 -5.475 1.00 0.22 H new ATOM 0 HB2 ASP A 56 -10.652 -0.940 -3.078 1.00 0.16 H new ATOM 0 HB3 ASP A 56 -11.716 0.392 -2.674 1.00 0.16 H new ATOM 847 N ALA A 57 -12.053 1.937 -6.279 1.00 0.43 N ATOM 848 CA ALA A 57 -13.132 2.753 -6.883 1.00 0.56 C ATOM 849 C ALA A 57 -14.282 1.894 -7.410 1.00 0.50 C ATOM 850 O ALA A 57 -15.441 2.252 -7.339 1.00 0.63 O ATOM 851 CB ALA A 57 -12.550 3.558 -8.047 1.00 0.67 C ATOM 0 H ALA A 57 -11.130 2.076 -6.690 1.00 0.43 H new ATOM 0 HA ALA A 57 -13.529 3.406 -6.106 1.00 0.56 H new ATOM 0 HB1 ALA A 57 -13.336 4.163 -8.500 1.00 0.67 H new ATOM 0 HB2 ALA A 57 -11.757 4.209 -7.679 1.00 0.67 H new ATOM 0 HB3 ALA A 57 -12.142 2.876 -8.793 1.00 0.67 H new ATOM 857 N ASP A 58 -13.939 0.755 -7.952 1.00 0.31 N ATOM 858 CA ASP A 58 -14.977 -0.156 -8.512 1.00 0.25 C ATOM 859 C ASP A 58 -15.661 -0.944 -7.385 1.00 0.34 C ATOM 860 O ASP A 58 -16.780 -1.400 -7.510 1.00 0.43 O ATOM 861 CB ASP A 58 -14.328 -1.132 -9.496 1.00 0.13 C ATOM 862 CG ASP A 58 -15.418 -1.906 -10.240 1.00 0.28 C ATOM 863 OD1 ASP A 58 -16.195 -1.274 -10.937 1.00 1.04 O ATOM 864 OD2 ASP A 58 -15.459 -3.117 -10.098 1.00 1.11 O ATOM 0 H ASP A 58 -12.980 0.416 -8.031 1.00 0.31 H new ATOM 0 HA ASP A 58 -15.726 0.443 -9.030 1.00 0.25 H new ATOM 0 HB2 ASP A 58 -13.704 -0.589 -10.206 1.00 0.13 H new ATOM 0 HB3 ASP A 58 -13.676 -1.823 -8.962 1.00 0.13 H new ATOM 869 N GLY A 59 -15.003 -1.014 -6.250 1.00 0.39 N ATOM 870 CA GLY A 59 -15.633 -1.674 -5.050 1.00 0.59 C ATOM 871 C GLY A 59 -15.159 -3.117 -4.781 1.00 0.63 C ATOM 872 O GLY A 59 -15.933 -3.897 -4.261 1.00 0.80 O ATOM 0 H GLY A 59 -14.063 -0.647 -6.099 1.00 0.39 H new ATOM 0 HA2 GLY A 59 -15.424 -1.068 -4.168 1.00 0.59 H new ATOM 0 HA3 GLY A 59 -16.715 -1.681 -5.183 1.00 0.59 H new ATOM 876 N ASN A 60 -13.950 -3.526 -5.130 1.00 0.57 N ATOM 877 CA ASN A 60 -13.560 -4.970 -4.877 1.00 0.74 C ATOM 878 C ASN A 60 -12.714 -5.123 -3.599 1.00 0.74 C ATOM 879 O ASN A 60 -12.291 -6.211 -3.269 1.00 1.36 O ATOM 880 CB ASN A 60 -12.794 -5.528 -6.080 1.00 0.76 C ATOM 881 CG ASN A 60 -13.663 -5.418 -7.335 1.00 2.30 C ATOM 882 OD1 ASN A 60 -14.809 -5.821 -7.332 1.00 3.32 O ATOM 883 ND2 ASN A 60 -13.162 -4.885 -8.417 1.00 3.48 N ATOM 0 H ASN A 60 -13.234 -2.945 -5.566 1.00 0.57 H new ATOM 0 HA ASN A 60 -14.480 -5.537 -4.735 1.00 0.74 H new ATOM 0 HB2 ASN A 60 -11.864 -4.977 -6.220 1.00 0.76 H new ATOM 0 HB3 ASN A 60 -12.524 -6.569 -5.902 1.00 0.76 H new ATOM 0 HD21 ASN A 60 -13.733 -4.807 -9.259 1.00 3.48 H new ATOM 0 HD22 ASN A 60 -12.200 -4.546 -8.420 1.00 3.48 H new ATOM 890 N GLY A 61 -12.514 -4.075 -2.846 1.00 0.12 N ATOM 891 CA GLY A 61 -11.755 -4.187 -1.556 1.00 0.13 C ATOM 892 C GLY A 61 -10.422 -4.954 -1.684 1.00 0.17 C ATOM 893 O GLY A 61 -10.047 -5.669 -0.776 1.00 0.28 O ATOM 0 H GLY A 61 -12.845 -3.136 -3.067 1.00 0.12 H new ATOM 0 HA2 GLY A 61 -11.553 -3.186 -1.176 1.00 0.13 H new ATOM 0 HA3 GLY A 61 -12.382 -4.687 -0.818 1.00 0.13 H new ATOM 897 N THR A 62 -9.685 -4.811 -2.759 1.00 0.13 N ATOM 898 CA THR A 62 -8.366 -5.535 -2.868 1.00 0.15 C ATOM 899 C THR A 62 -7.320 -4.620 -3.525 1.00 0.13 C ATOM 900 O THR A 62 -7.643 -3.778 -4.339 1.00 0.13 O ATOM 901 CB THR A 62 -8.519 -6.812 -3.698 1.00 0.21 C ATOM 902 OG1 THR A 62 -9.095 -6.498 -4.958 1.00 0.26 O ATOM 903 CG2 THR A 62 -9.406 -7.815 -2.958 1.00 0.42 C ATOM 0 H THR A 62 -9.931 -4.232 -3.562 1.00 0.13 H new ATOM 0 HA THR A 62 -8.037 -5.804 -1.864 1.00 0.15 H new ATOM 0 HB THR A 62 -7.536 -7.256 -3.852 1.00 0.21 H new ATOM 0 HG1 THR A 62 -9.190 -7.317 -5.488 1.00 0.26 H new ATOM 0 HG21 THR A 62 -9.509 -8.720 -3.556 1.00 0.42 H new ATOM 0 HG22 THR A 62 -8.952 -8.064 -1.999 1.00 0.42 H new ATOM 0 HG23 THR A 62 -10.390 -7.377 -2.791 1.00 0.42 H new ATOM 911 N ILE A 63 -6.063 -4.775 -3.158 1.00 0.11 N ATOM 912 CA ILE A 63 -4.971 -3.914 -3.733 1.00 0.10 C ATOM 913 C ILE A 63 -3.879 -4.798 -4.333 1.00 0.10 C ATOM 914 O ILE A 63 -3.382 -5.709 -3.700 1.00 0.10 O ATOM 915 CB ILE A 63 -4.338 -3.075 -2.618 1.00 0.10 C ATOM 916 CG1 ILE A 63 -5.428 -2.319 -1.852 1.00 0.10 C ATOM 917 CG2 ILE A 63 -3.325 -2.080 -3.204 1.00 0.11 C ATOM 918 CD1 ILE A 63 -4.833 -1.710 -0.582 1.00 0.12 C ATOM 0 H ILE A 63 -5.745 -5.467 -2.479 1.00 0.11 H new ATOM 0 HA ILE A 63 -5.401 -3.269 -4.499 1.00 0.10 H new ATOM 0 HB ILE A 63 -3.815 -3.743 -1.933 1.00 0.10 H new ATOM 0 HG12 ILE A 63 -5.851 -1.535 -2.480 1.00 0.10 H new ATOM 0 HG13 ILE A 63 -6.243 -2.996 -1.596 1.00 0.10 H new ATOM 0 HG21 ILE A 63 -2.885 -1.492 -2.399 1.00 0.11 H new ATOM 0 HG22 ILE A 63 -2.539 -2.626 -3.726 1.00 0.11 H new ATOM 0 HG23 ILE A 63 -3.831 -1.415 -3.904 1.00 0.11 H new ATOM 0 HD11 ILE A 63 -5.610 -1.172 -0.038 1.00 0.12 H new ATOM 0 HD12 ILE A 63 -4.431 -2.503 0.048 1.00 0.12 H new ATOM 0 HD13 ILE A 63 -4.033 -1.019 -0.850 1.00 0.12 H new ATOM 930 N ASP A 64 -3.480 -4.506 -5.546 1.00 0.09 N ATOM 931 CA ASP A 64 -2.390 -5.290 -6.203 1.00 0.09 C ATOM 932 C ASP A 64 -1.087 -4.488 -6.069 1.00 0.09 C ATOM 933 O ASP A 64 -1.098 -3.336 -5.685 1.00 0.11 O ATOM 934 CB ASP A 64 -2.738 -5.536 -7.677 1.00 0.11 C ATOM 935 CG ASP A 64 -2.887 -4.198 -8.405 1.00 0.16 C ATOM 936 OD1 ASP A 64 -2.497 -3.190 -7.841 1.00 0.11 O ATOM 937 OD2 ASP A 64 -3.391 -4.205 -9.516 1.00 0.37 O ATOM 0 H ASP A 64 -3.866 -3.752 -6.113 1.00 0.09 H new ATOM 0 HA ASP A 64 -2.272 -6.263 -5.727 1.00 0.09 H new ATOM 0 HB2 ASP A 64 -1.958 -6.133 -8.150 1.00 0.11 H new ATOM 0 HB3 ASP A 64 -3.664 -6.106 -7.751 1.00 0.11 H new ATOM 942 N PHE A 65 0.036 -5.100 -6.327 1.00 0.07 N ATOM 943 CA PHE A 65 1.338 -4.384 -6.153 1.00 0.07 C ATOM 944 C PHE A 65 1.419 -3.048 -6.936 1.00 0.10 C ATOM 945 O PHE A 65 1.793 -2.047 -6.358 1.00 0.12 O ATOM 946 CB PHE A 65 2.508 -5.312 -6.530 1.00 0.06 C ATOM 947 CG PHE A 65 3.835 -4.665 -6.166 1.00 0.05 C ATOM 948 CD1 PHE A 65 4.120 -4.309 -4.833 1.00 1.89 C ATOM 949 CD2 PHE A 65 4.788 -4.424 -7.167 1.00 1.80 C ATOM 950 CE1 PHE A 65 5.348 -3.717 -4.516 1.00 1.87 C ATOM 951 CE2 PHE A 65 6.013 -3.835 -6.844 1.00 1.81 C ATOM 952 CZ PHE A 65 6.294 -3.481 -5.520 1.00 0.04 C ATOM 0 H PHE A 65 0.112 -6.064 -6.651 1.00 0.07 H new ATOM 0 HA PHE A 65 1.409 -4.117 -5.099 1.00 0.07 H new ATOM 0 HB2 PHE A 65 2.406 -6.265 -6.011 1.00 0.06 H new ATOM 0 HB3 PHE A 65 2.481 -5.526 -7.598 1.00 0.06 H new ATOM 0 HD1 PHE A 65 3.392 -4.493 -4.057 1.00 1.89 H new ATOM 0 HD2 PHE A 65 4.574 -4.695 -8.190 1.00 1.80 H new ATOM 0 HE1 PHE A 65 5.566 -3.442 -3.495 1.00 1.87 H new ATOM 0 HE2 PHE A 65 6.744 -3.653 -7.618 1.00 1.81 H new ATOM 0 HZ PHE A 65 7.241 -3.025 -5.273 1.00 0.04 H new ATOM 962 N PRO A 66 1.105 -2.987 -8.218 1.00 0.13 N ATOM 963 CA PRO A 66 1.202 -1.694 -8.982 1.00 0.16 C ATOM 964 C PRO A 66 0.301 -0.597 -8.393 1.00 0.17 C ATOM 965 O PRO A 66 0.702 0.544 -8.290 1.00 0.22 O ATOM 966 CB PRO A 66 0.771 -2.071 -10.413 1.00 0.18 C ATOM 967 CG PRO A 66 -0.006 -3.340 -10.261 1.00 0.16 C ATOM 968 CD PRO A 66 0.631 -4.083 -9.088 1.00 0.14 C ATOM 0 HA PRO A 66 2.207 -1.273 -8.941 1.00 0.16 H new ATOM 0 HB2 PRO A 66 0.162 -1.286 -10.861 1.00 0.18 H new ATOM 0 HB3 PRO A 66 1.636 -2.213 -11.061 1.00 0.18 H new ATOM 0 HG2 PRO A 66 -1.058 -3.133 -10.067 1.00 0.16 H new ATOM 0 HG3 PRO A 66 0.039 -3.937 -11.172 1.00 0.16 H new ATOM 0 HD2 PRO A 66 -0.089 -4.722 -8.576 1.00 0.14 H new ATOM 0 HD3 PRO A 66 1.451 -4.723 -9.413 1.00 0.14 H new ATOM 976 N GLU A 67 -0.896 -0.925 -7.970 1.00 0.15 N ATOM 977 CA GLU A 67 -1.756 0.129 -7.359 1.00 0.16 C ATOM 978 C GLU A 67 -1.084 0.562 -6.054 1.00 0.15 C ATOM 979 O GLU A 67 -1.084 1.726 -5.704 1.00 0.17 O ATOM 980 CB GLU A 67 -3.168 -0.401 -7.087 1.00 0.18 C ATOM 981 CG GLU A 67 -3.894 -0.626 -8.414 1.00 0.26 C ATOM 982 CD GLU A 67 -5.200 -1.380 -8.159 1.00 0.34 C ATOM 983 OE1 GLU A 67 -5.313 -1.990 -7.108 1.00 0.17 O ATOM 984 OE2 GLU A 67 -6.065 -1.336 -9.019 1.00 0.60 O ATOM 0 H GLU A 67 -1.306 -1.858 -8.020 1.00 0.15 H new ATOM 0 HA GLU A 67 -1.860 0.974 -8.040 1.00 0.16 H new ATOM 0 HB2 GLU A 67 -3.116 -1.334 -6.526 1.00 0.18 H new ATOM 0 HB3 GLU A 67 -3.722 0.309 -6.473 1.00 0.18 H new ATOM 0 HG2 GLU A 67 -4.102 0.330 -8.894 1.00 0.26 H new ATOM 0 HG3 GLU A 67 -3.261 -1.194 -9.096 1.00 0.26 H new ATOM 991 N PHE A 68 -0.490 -0.357 -5.340 1.00 0.12 N ATOM 992 CA PHE A 68 0.201 0.016 -4.076 1.00 0.13 C ATOM 993 C PHE A 68 1.400 0.908 -4.398 1.00 0.13 C ATOM 994 O PHE A 68 1.700 1.852 -3.696 1.00 0.16 O ATOM 995 CB PHE A 68 0.654 -1.258 -3.341 1.00 0.11 C ATOM 996 CG PHE A 68 1.392 -0.887 -2.085 1.00 0.10 C ATOM 997 CD1 PHE A 68 0.693 -0.729 -0.886 1.00 0.09 C ATOM 998 CD2 PHE A 68 2.778 -0.704 -2.122 1.00 0.11 C ATOM 999 CE1 PHE A 68 1.386 -0.384 0.282 1.00 0.09 C ATOM 1000 CE2 PHE A 68 3.469 -0.362 -0.957 1.00 0.11 C ATOM 1001 CZ PHE A 68 2.772 -0.201 0.245 1.00 0.10 C ATOM 0 H PHE A 68 -0.455 -1.348 -5.579 1.00 0.12 H new ATOM 0 HA PHE A 68 -0.482 0.566 -3.429 1.00 0.13 H new ATOM 0 HB2 PHE A 68 -0.211 -1.875 -3.097 1.00 0.11 H new ATOM 0 HB3 PHE A 68 1.297 -1.853 -3.989 1.00 0.11 H new ATOM 0 HD1 PHE A 68 -0.377 -0.872 -0.859 1.00 0.09 H new ATOM 0 HD2 PHE A 68 3.314 -0.827 -3.051 1.00 0.11 H new ATOM 0 HE1 PHE A 68 0.850 -0.259 1.211 1.00 0.09 H new ATOM 0 HE2 PHE A 68 4.540 -0.222 -0.984 1.00 0.11 H new ATOM 0 HZ PHE A 68 3.305 0.065 1.146 1.00 0.10 H new ATOM 1011 N LEU A 69 2.092 0.602 -5.474 1.00 0.11 N ATOM 1012 CA LEU A 69 3.272 1.423 -5.848 1.00 0.12 C ATOM 1013 C LEU A 69 2.814 2.845 -6.221 1.00 0.15 C ATOM 1014 O LEU A 69 3.460 3.818 -5.885 1.00 0.17 O ATOM 1015 CB LEU A 69 4.036 0.788 -7.033 1.00 0.07 C ATOM 1016 CG LEU A 69 4.992 -0.326 -6.559 1.00 0.15 C ATOM 1017 CD1 LEU A 69 5.719 -0.914 -7.784 1.00 0.17 C ATOM 1018 CD2 LEU A 69 6.033 0.224 -5.554 1.00 0.24 C ATOM 0 H LEU A 69 1.886 -0.177 -6.100 1.00 0.11 H new ATOM 0 HA LEU A 69 3.947 1.468 -4.993 1.00 0.12 H new ATOM 0 HB2 LEU A 69 3.323 0.377 -7.748 1.00 0.07 H new ATOM 0 HB3 LEU A 69 4.604 1.558 -7.555 1.00 0.07 H new ATOM 0 HG LEU A 69 4.410 -1.098 -6.056 1.00 0.15 H new ATOM 0 HD11 LEU A 69 6.398 -1.703 -7.460 1.00 0.17 H new ATOM 0 HD12 LEU A 69 4.987 -1.327 -8.478 1.00 0.17 H new ATOM 0 HD13 LEU A 69 6.287 -0.128 -8.282 1.00 0.17 H new ATOM 0 HD21 LEU A 69 6.694 -0.583 -5.237 1.00 0.24 H new ATOM 0 HD22 LEU A 69 6.621 1.008 -6.031 1.00 0.24 H new ATOM 0 HD23 LEU A 69 5.518 0.635 -4.685 1.00 0.24 H new ATOM 1030 N THR A 70 1.707 2.974 -6.919 1.00 0.18 N ATOM 1031 CA THR A 70 1.226 4.331 -7.313 1.00 0.23 C ATOM 1032 C THR A 70 0.821 5.113 -6.056 1.00 0.26 C ATOM 1033 O THR A 70 1.073 6.297 -5.952 1.00 0.26 O ATOM 1034 CB THR A 70 0.030 4.212 -8.276 1.00 0.22 C ATOM 1035 OG1 THR A 70 0.466 3.627 -9.495 1.00 0.23 O ATOM 1036 CG2 THR A 70 -0.543 5.602 -8.556 1.00 0.22 C ATOM 0 H THR A 70 1.121 2.199 -7.230 1.00 0.18 H new ATOM 0 HA THR A 70 2.028 4.864 -7.824 1.00 0.23 H new ATOM 0 HB THR A 70 -0.741 3.588 -7.824 1.00 0.22 H new ATOM 0 HG1 THR A 70 0.592 2.663 -9.369 1.00 0.23 H new ATOM 0 HG21 THR A 70 -1.389 5.516 -9.238 1.00 0.22 H new ATOM 0 HG22 THR A 70 -0.874 6.054 -7.621 1.00 0.22 H new ATOM 0 HG23 THR A 70 0.226 6.228 -9.009 1.00 0.22 H new ATOM 1044 N MET A 71 0.216 4.467 -5.086 1.00 0.37 N ATOM 1045 CA MET A 71 -0.169 5.198 -3.835 1.00 0.42 C ATOM 1046 C MET A 71 1.125 5.635 -3.136 1.00 0.36 C ATOM 1047 O MET A 71 1.217 6.720 -2.598 1.00 0.30 O ATOM 1048 CB MET A 71 -0.999 4.305 -2.882 1.00 0.58 C ATOM 1049 CG MET A 71 -2.481 4.280 -3.296 1.00 0.43 C ATOM 1050 SD MET A 71 -3.478 3.751 -1.881 1.00 0.51 S ATOM 1051 CE MET A 71 -2.755 2.102 -1.693 1.00 0.41 C ATOM 0 H MET A 71 -0.026 3.476 -5.105 1.00 0.37 H new ATOM 0 HA MET A 71 -0.789 6.056 -4.096 1.00 0.42 H new ATOM 0 HB2 MET A 71 -0.599 3.291 -2.889 1.00 0.58 H new ATOM 0 HB3 MET A 71 -0.910 4.676 -1.861 1.00 0.58 H new ATOM 0 HG2 MET A 71 -2.796 5.269 -3.630 1.00 0.43 H new ATOM 0 HG3 MET A 71 -2.626 3.599 -4.135 1.00 0.43 H new ATOM 0 HE1 MET A 71 -3.521 1.405 -1.354 1.00 0.41 H new ATOM 0 HE2 MET A 71 -2.359 1.767 -2.652 1.00 0.41 H new ATOM 0 HE3 MET A 71 -1.949 2.140 -0.960 1.00 0.41 H new ATOM 1061 N MET A 72 2.127 4.790 -3.146 1.00 0.39 N ATOM 1062 CA MET A 72 3.420 5.142 -2.488 1.00 0.37 C ATOM 1063 C MET A 72 4.046 6.354 -3.181 1.00 0.30 C ATOM 1064 O MET A 72 4.493 7.292 -2.553 1.00 0.29 O ATOM 1065 CB MET A 72 4.382 3.957 -2.581 1.00 0.44 C ATOM 1066 CG MET A 72 3.909 2.841 -1.650 1.00 0.52 C ATOM 1067 SD MET A 72 4.167 3.339 0.072 1.00 2.02 S ATOM 1068 CE MET A 72 5.883 2.782 0.223 1.00 0.71 C ATOM 0 H MET A 72 2.103 3.869 -3.584 1.00 0.39 H new ATOM 0 HA MET A 72 3.231 5.382 -1.442 1.00 0.37 H new ATOM 0 HB2 MET A 72 4.429 3.593 -3.607 1.00 0.44 H new ATOM 0 HB3 MET A 72 5.389 4.271 -2.307 1.00 0.44 H new ATOM 0 HG2 MET A 72 2.854 2.631 -1.824 1.00 0.52 H new ATOM 0 HG3 MET A 72 4.456 1.922 -1.860 1.00 0.52 H new ATOM 0 HE1 MET A 72 6.208 2.882 1.259 1.00 0.71 H new ATOM 0 HE2 MET A 72 5.955 1.738 -0.081 1.00 0.71 H new ATOM 0 HE3 MET A 72 6.521 3.391 -0.418 1.00 0.71 H new ATOM 1078 N ALA A 73 4.093 6.313 -4.482 1.00 0.27 N ATOM 1079 CA ALA A 73 4.705 7.430 -5.254 1.00 0.24 C ATOM 1080 C ALA A 73 3.959 8.747 -4.991 1.00 0.26 C ATOM 1081 O ALA A 73 4.558 9.801 -4.908 1.00 0.24 O ATOM 1082 CB ALA A 73 4.669 7.094 -6.755 1.00 0.24 C ATOM 0 H ALA A 73 3.730 5.547 -5.049 1.00 0.27 H new ATOM 0 HA ALA A 73 5.739 7.555 -4.932 1.00 0.24 H new ATOM 0 HB1 ALA A 73 5.117 7.911 -7.321 1.00 0.24 H new ATOM 0 HB2 ALA A 73 5.229 6.177 -6.936 1.00 0.24 H new ATOM 0 HB3 ALA A 73 3.635 6.956 -7.072 1.00 0.24 H new ATOM 1088 N ARG A 74 2.658 8.697 -4.866 1.00 0.33 N ATOM 1089 CA ARG A 74 1.881 9.950 -4.619 1.00 0.37 C ATOM 1090 C ARG A 74 2.179 10.466 -3.205 1.00 0.34 C ATOM 1091 O ARG A 74 2.204 11.654 -2.951 1.00 0.32 O ATOM 1092 CB ARG A 74 0.368 9.681 -4.763 1.00 0.47 C ATOM 1093 CG ARG A 74 -0.050 9.611 -6.260 1.00 0.18 C ATOM 1094 CD ARG A 74 -1.441 10.233 -6.454 1.00 0.14 C ATOM 1095 NE ARG A 74 -2.295 9.966 -5.251 1.00 1.36 N ATOM 1096 CZ ARG A 74 -2.442 8.757 -4.777 1.00 1.63 C ATOM 1097 NH1 ARG A 74 -2.012 7.724 -5.449 1.00 2.86 N ATOM 1098 NH2 ARG A 74 -3.075 8.577 -3.650 1.00 1.33 N ATOM 0 H ARG A 74 2.100 7.845 -4.924 1.00 0.33 H new ATOM 0 HA ARG A 74 2.176 10.699 -5.354 1.00 0.37 H new ATOM 0 HB2 ARG A 74 0.114 8.744 -4.267 1.00 0.47 H new ATOM 0 HB3 ARG A 74 -0.194 10.469 -4.262 1.00 0.47 H new ATOM 0 HG2 ARG A 74 0.680 10.138 -6.874 1.00 0.18 H new ATOM 0 HG3 ARG A 74 -0.058 8.574 -6.594 1.00 0.18 H new ATOM 0 HD2 ARG A 74 -1.349 11.307 -6.613 1.00 0.14 H new ATOM 0 HD3 ARG A 74 -1.913 9.818 -7.345 1.00 0.14 H new ATOM 0 HE ARG A 74 -2.771 10.744 -4.793 1.00 1.36 H new ATOM 0 HH11 ARG A 74 -1.557 7.857 -6.352 1.00 2.86 H new ATOM 0 HH12 ARG A 74 -2.131 6.784 -5.071 1.00 2.86 H new ATOM 0 HH21 ARG A 74 -3.452 9.378 -3.143 1.00 1.33 H new ATOM 0 HH22 ARG A 74 -3.192 7.635 -3.276 1.00 1.33 H new ATOM 1112 N LYS A 75 2.375 9.562 -2.283 1.00 0.35 N ATOM 1113 CA LYS A 75 2.641 9.962 -0.871 1.00 0.35 C ATOM 1114 C LYS A 75 4.078 10.473 -0.717 1.00 0.28 C ATOM 1115 O LYS A 75 4.355 11.305 0.123 1.00 0.27 O ATOM 1116 CB LYS A 75 2.422 8.744 0.047 1.00 0.39 C ATOM 1117 CG LYS A 75 0.974 8.715 0.571 1.00 0.47 C ATOM 1118 CD LYS A 75 0.849 9.605 1.813 1.00 1.35 C ATOM 1119 CE LYS A 75 -0.580 9.527 2.352 1.00 1.96 C ATOM 1120 NZ LYS A 75 -0.677 10.296 3.625 1.00 2.75 N ATOM 0 H LYS A 75 2.362 8.556 -2.449 1.00 0.35 H new ATOM 0 HA LYS A 75 1.958 10.765 -0.594 1.00 0.35 H new ATOM 0 HB2 LYS A 75 2.635 7.826 -0.501 1.00 0.39 H new ATOM 0 HB3 LYS A 75 3.117 8.784 0.885 1.00 0.39 H new ATOM 0 HG2 LYS A 75 0.291 9.061 -0.205 1.00 0.47 H new ATOM 0 HG3 LYS A 75 0.687 7.692 0.816 1.00 0.47 H new ATOM 0 HD2 LYS A 75 1.556 9.283 2.578 1.00 1.35 H new ATOM 0 HD3 LYS A 75 1.099 10.636 1.562 1.00 1.35 H new ATOM 0 HE2 LYS A 75 -1.279 9.929 1.618 1.00 1.96 H new ATOM 0 HE3 LYS A 75 -0.859 8.487 2.521 1.00 1.96 H new ATOM 0 HZ1 LYS A 75 -1.649 10.242 3.990 1.00 2.75 H new ATOM 0 HZ2 LYS A 75 -0.022 9.893 4.325 1.00 2.75 H new ATOM 0 HZ3 LYS A 75 -0.428 11.290 3.450 1.00 2.75 H new ATOM 1134 N MET A 76 4.989 10.001 -1.508 1.00 0.29 N ATOM 1135 CA MET A 76 6.391 10.488 -1.380 1.00 0.29 C ATOM 1136 C MET A 76 6.485 11.932 -1.874 1.00 0.70 C ATOM 1137 O MET A 76 7.568 12.490 -1.805 1.00 1.39 O ATOM 1138 CB MET A 76 7.319 9.596 -2.207 1.00 0.91 C ATOM 1139 CG MET A 76 7.437 8.227 -1.532 1.00 1.10 C ATOM 1140 SD MET A 76 8.374 7.101 -2.596 1.00 1.88 S ATOM 1141 CE MET A 76 10.031 7.653 -2.122 1.00 1.00 C ATOM 0 H MET A 76 4.831 9.303 -2.235 1.00 0.29 H new ATOM 0 HA MET A 76 6.692 10.450 -0.333 1.00 0.29 H new ATOM 0 HB2 MET A 76 6.928 9.483 -3.218 1.00 0.91 H new ATOM 0 HB3 MET A 76 8.303 10.057 -2.295 1.00 0.91 H new ATOM 0 HG2 MET A 76 7.933 8.328 -0.567 1.00 1.10 H new ATOM 0 HG3 MET A 76 6.445 7.819 -1.339 1.00 1.10 H new ATOM 0 HE1 MET A 76 10.633 7.807 -3.017 1.00 1.00 H new ATOM 0 HE2 MET A 76 9.958 8.589 -1.568 1.00 1.00 H new ATOM 0 HE3 MET A 76 10.501 6.896 -1.494 1.00 1.00 H new