USER MOD reduce.3.24.130724 H: found=0, std=0, add=325, rem=0, adj=8 USER MOD reduce.3.24.130724 removed 322 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 Single : A 1 MET CE :methyl 154:sc= -0.128 (180deg=-0.647) USER MOD Single : A 1 MET N :NH3+ 150:sc= 0.347 (180deg=0.0786) USER MOD Single : A 2 THR OG1 : rot 180:sc= -0.152 USER MOD Single : A 10 ASN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 11 THR OG1 : rot 180:sc= 0 USER MOD Single : A 13 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 16 GLN : amide:sc= 0 K(o=0,f=-0.58) USER MOD Single : A 17 GLN : amide:sc= -0.276 X(o=-0.28,f=-0.41) USER MOD Single : A 18 HIS : no HD1:sc= -0.057 X(o=-0.057,f=-0.23) USER MOD Single : A 20 SER OG : rot -6:sc= -1.24 USER MOD Single : A 22 LYS NZ :NH3+ -173:sc= 0 (180deg=-0.0246) USER MOD Single : A 25 THR OG1 : rot -89:sc= 0.168 USER MOD Single : A 26 SER OG : rot -31:sc= 0.0658 USER MOD Single : A 33 ASN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 40 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD ----------------------------------------------------------------- ATOM 1 N MET A 1 2.783 1.253 -0.014 1.00 44.40 N ATOM 2 CA MET A 1 2.443 0.460 -1.189 1.00 71.21 C ATOM 3 C MET A 1 3.214 -0.856 -1.198 1.00 74.52 C ATOM 4 O MET A 1 4.318 -0.945 -0.661 1.00 21.43 O ATOM 5 CB MET A 1 2.740 1.247 -2.467 1.00 4.44 C ATOM 6 CG MET A 1 1.674 2.276 -2.809 1.00 25.42 C ATOM 7 SD MET A 1 1.970 3.871 -2.022 1.00 62.12 S ATOM 8 CE MET A 1 3.441 4.409 -2.891 1.00 25.14 C ATOM 0 H1 MET A 1 2.692 2.264 -0.240 1.00 44.40 H new ATOM 0 H2 MET A 1 2.138 1.013 0.765 1.00 44.40 H new ATOM 0 H3 MET A 1 3.762 1.048 0.271 1.00 44.40 H new ATOM 0 HA MET A 1 1.377 0.237 -1.149 1.00 71.21 H new ATOM 0 HB2 MET A 1 3.700 1.753 -2.358 1.00 4.44 H new ATOM 0 HB3 MET A 1 2.840 0.549 -3.299 1.00 4.44 H new ATOM 0 HG2 MET A 1 1.637 2.410 -3.890 1.00 25.42 H new ATOM 0 HG3 MET A 1 0.699 1.899 -2.501 1.00 25.42 H new ATOM 0 HE1 MET A 1 3.491 5.498 -2.882 1.00 25.14 H new ATOM 0 HE2 MET A 1 4.324 4.001 -2.399 1.00 25.14 H new ATOM 0 HE3 MET A 1 3.404 4.056 -3.922 1.00 25.14 H new ATOM 18 N THR A 2 2.624 -1.878 -1.812 1.00 24.10 N ATOM 19 CA THR A 2 3.255 -3.190 -1.890 1.00 11.25 C ATOM 20 C THR A 2 4.519 -3.143 -2.740 1.00 52.23 C ATOM 21 O THR A 2 4.721 -2.211 -3.518 1.00 71.53 O ATOM 22 CB THR A 2 2.294 -4.241 -2.476 1.00 31.23 C ATOM 23 OG1 THR A 2 2.908 -5.534 -2.451 1.00 23.42 O ATOM 24 CG2 THR A 2 1.908 -3.885 -3.903 1.00 74.13 C ATOM 0 H THR A 2 1.710 -1.822 -2.262 1.00 24.10 H new ATOM 0 HA THR A 2 3.517 -3.476 -0.871 1.00 11.25 H new ATOM 0 HB THR A 2 1.391 -4.256 -1.865 1.00 31.23 H new ATOM 0 HG1 THR A 2 2.290 -6.197 -2.824 1.00 23.42 H new ATOM 0 HG21 THR A 2 1.229 -4.642 -4.296 1.00 74.13 H new ATOM 0 HG22 THR A 2 1.414 -2.913 -3.915 1.00 74.13 H new ATOM 0 HG23 THR A 2 2.804 -3.845 -4.523 1.00 74.13 H new ATOM 32 N GLY A 3 5.368 -4.155 -2.587 1.00 53.25 N ATOM 33 CA GLY A 3 6.602 -4.209 -3.349 1.00 73.42 C ATOM 34 C GLY A 3 7.826 -3.979 -2.486 1.00 65.42 C ATOM 35 O GLY A 3 8.891 -3.617 -2.990 1.00 32.15 O ATOM 0 H GLY A 3 5.223 -4.938 -1.949 1.00 53.25 H new ATOM 0 HA2 GLY A 3 6.682 -5.181 -3.836 1.00 73.42 H new ATOM 0 HA3 GLY A 3 6.571 -3.458 -4.138 1.00 73.42 H new ATOM 39 N LEU A 4 7.677 -4.188 -1.183 1.00 23.02 N ATOM 40 CA LEU A 4 8.780 -4.000 -0.247 1.00 2.53 C ATOM 41 C LEU A 4 9.789 -5.139 -0.357 1.00 14.42 C ATOM 42 O LEU A 4 10.988 -4.907 -0.508 1.00 54.23 O ATOM 43 CB LEU A 4 8.250 -3.909 1.185 1.00 32.43 C ATOM 44 CG LEU A 4 7.388 -2.688 1.506 1.00 13.10 C ATOM 45 CD1 LEU A 4 6.508 -2.958 2.717 1.00 63.41 C ATOM 46 CD2 LEU A 4 8.262 -1.465 1.742 1.00 21.11 C ATOM 0 H LEU A 4 6.803 -4.488 -0.750 1.00 23.02 H new ATOM 0 HA LEU A 4 9.284 -3.068 -0.501 1.00 2.53 H new ATOM 0 HB2 LEU A 4 7.666 -4.806 1.392 1.00 32.43 H new ATOM 0 HB3 LEU A 4 9.100 -3.918 1.867 1.00 32.43 H new ATOM 0 HG LEU A 4 6.742 -2.489 0.651 1.00 13.10 H new ATOM 0 HD11 LEU A 4 5.902 -2.077 2.930 1.00 63.41 H new ATOM 0 HD12 LEU A 4 5.856 -3.806 2.511 1.00 63.41 H new ATOM 0 HD13 LEU A 4 7.135 -3.184 3.579 1.00 63.41 H new ATOM 0 HD21 LEU A 4 7.631 -0.605 1.969 1.00 21.11 H new ATOM 0 HD22 LEU A 4 8.933 -1.654 2.580 1.00 21.11 H new ATOM 0 HD23 LEU A 4 8.848 -1.258 0.847 1.00 21.11 H new ATOM 58 N ALA A 5 9.294 -6.370 -0.282 1.00 15.33 N ATOM 59 CA ALA A 5 10.151 -7.545 -0.377 1.00 55.12 C ATOM 60 C ALA A 5 9.784 -8.395 -1.589 1.00 50.42 C ATOM 61 O ALA A 5 10.634 -9.079 -2.158 1.00 33.22 O ATOM 62 CB ALA A 5 10.057 -8.371 0.897 1.00 60.21 C ATOM 0 H ALA A 5 8.304 -6.579 -0.156 1.00 15.33 H new ATOM 0 HA ALA A 5 11.179 -7.205 -0.502 1.00 55.12 H new ATOM 0 HB1 ALA A 5 10.702 -9.245 0.812 1.00 60.21 H new ATOM 0 HB2 ALA A 5 10.375 -7.767 1.747 1.00 60.21 H new ATOM 0 HB3 ALA A 5 9.027 -8.693 1.046 1.00 60.21 H new ATOM 68 N GLU A 6 8.514 -8.346 -1.978 1.00 53.43 N ATOM 69 CA GLU A 6 8.036 -9.113 -3.122 1.00 52.04 C ATOM 70 C GLU A 6 8.897 -8.847 -4.354 1.00 22.43 C ATOM 71 O GLU A 6 9.397 -9.777 -4.987 1.00 11.21 O ATOM 72 CB GLU A 6 6.576 -8.767 -3.423 1.00 41.42 C ATOM 73 CG GLU A 6 5.578 -9.615 -2.653 1.00 1.53 C ATOM 74 CD GLU A 6 5.085 -10.805 -3.452 1.00 34.13 C ATOM 75 OE1 GLU A 6 3.853 -10.948 -3.602 1.00 61.33 O ATOM 76 OE2 GLU A 6 5.929 -11.593 -3.926 1.00 20.21 O ATOM 0 H GLU A 6 7.798 -7.784 -1.518 1.00 53.43 H new ATOM 0 HA GLU A 6 8.107 -10.171 -2.872 1.00 52.04 H new ATOM 0 HB2 GLU A 6 6.405 -7.716 -3.188 1.00 41.42 H new ATOM 0 HB3 GLU A 6 6.395 -8.889 -4.491 1.00 41.42 H new ATOM 0 HG2 GLU A 6 6.041 -9.968 -1.731 1.00 1.53 H new ATOM 0 HG3 GLU A 6 4.727 -8.997 -2.366 1.00 1.53 H new ATOM 83 N ALA A 7 9.065 -7.572 -4.687 1.00 4.10 N ATOM 84 CA ALA A 7 9.867 -7.183 -5.841 1.00 33.12 C ATOM 85 C ALA A 7 11.245 -7.833 -5.796 1.00 24.11 C ATOM 86 O ALA A 7 11.715 -8.384 -6.792 1.00 72.01 O ATOM 87 CB ALA A 7 9.997 -5.669 -5.907 1.00 1.44 C ATOM 0 H ALA A 7 8.657 -6.790 -4.174 1.00 4.10 H new ATOM 0 HA ALA A 7 9.359 -7.532 -6.740 1.00 33.12 H new ATOM 0 HB1 ALA A 7 10.598 -5.393 -6.773 1.00 1.44 H new ATOM 0 HB2 ALA A 7 9.007 -5.222 -5.995 1.00 1.44 H new ATOM 0 HB3 ALA A 7 10.479 -5.305 -5.000 1.00 1.44 H new ATOM 93 N ILE A 8 11.889 -7.765 -4.636 1.00 1.35 N ATOM 94 CA ILE A 8 13.214 -8.347 -4.462 1.00 31.21 C ATOM 95 C ILE A 8 13.164 -9.868 -4.569 1.00 2.44 C ATOM 96 O ILE A 8 14.085 -10.494 -5.092 1.00 42.43 O ATOM 97 CB ILE A 8 13.826 -7.959 -3.103 1.00 50.00 C ATOM 98 CG1 ILE A 8 13.776 -6.442 -2.911 1.00 40.24 C ATOM 99 CG2 ILE A 8 15.258 -8.464 -3.003 1.00 74.03 C ATOM 100 CD1 ILE A 8 14.504 -5.672 -3.991 1.00 74.02 C ATOM 0 H ILE A 8 11.514 -7.312 -3.802 1.00 1.35 H new ATOM 0 HA ILE A 8 13.841 -7.949 -5.260 1.00 31.21 H new ATOM 0 HB ILE A 8 13.241 -8.426 -2.311 1.00 50.00 H new ATOM 0 HG12 ILE A 8 12.735 -6.121 -2.886 1.00 40.24 H new ATOM 0 HG13 ILE A 8 14.210 -6.192 -1.943 1.00 40.24 H new ATOM 0 HG21 ILE A 8 15.677 -8.182 -2.037 1.00 74.03 H new ATOM 0 HG22 ILE A 8 15.269 -9.550 -3.100 1.00 74.03 H new ATOM 0 HG23 ILE A 8 15.856 -8.023 -3.800 1.00 74.03 H new ATOM 0 HD11 ILE A 8 14.427 -4.603 -3.791 1.00 74.02 H new ATOM 0 HD12 ILE A 8 15.554 -5.965 -4.002 1.00 74.02 H new ATOM 0 HD13 ILE A 8 14.056 -5.893 -4.960 1.00 74.02 H new ATOM 112 N ALA A 9 12.082 -10.455 -4.070 1.00 35.21 N ATOM 113 CA ALA A 9 11.909 -11.902 -4.113 1.00 4.14 C ATOM 114 C ALA A 9 11.440 -12.359 -5.490 1.00 1.43 C ATOM 115 O ALA A 9 11.235 -13.549 -5.723 1.00 11.04 O ATOM 116 CB ALA A 9 10.924 -12.348 -3.042 1.00 41.04 C ATOM 0 H ALA A 9 11.312 -9.951 -3.631 1.00 35.21 H new ATOM 0 HA ALA A 9 12.876 -12.364 -3.916 1.00 4.14 H new ATOM 0 HB1 ALA A 9 10.804 -13.431 -3.086 1.00 41.04 H new ATOM 0 HB2 ALA A 9 11.301 -12.064 -2.060 1.00 41.04 H new ATOM 0 HB3 ALA A 9 9.960 -11.869 -3.213 1.00 41.04 H new ATOM 122 N ASN A 10 11.271 -11.404 -6.399 1.00 4.10 N ATOM 123 CA ASN A 10 10.825 -11.709 -7.753 1.00 53.34 C ATOM 124 C ASN A 10 11.994 -12.159 -8.624 1.00 2.14 C ATOM 125 O ASN A 10 11.801 -12.736 -9.694 1.00 54.33 O ATOM 126 CB ASN A 10 10.151 -10.485 -8.378 1.00 70.20 C ATOM 127 CG ASN A 10 9.094 -10.864 -9.397 1.00 33.51 C ATOM 128 OD1 ASN A 10 9.396 -11.082 -10.570 1.00 42.53 O ATOM 129 ND2 ASN A 10 7.845 -10.946 -8.952 1.00 3.35 N ATOM 0 H ASN A 10 11.436 -10.413 -6.222 1.00 4.10 H new ATOM 0 HA ASN A 10 10.104 -12.524 -7.695 1.00 53.34 H new ATOM 0 HB2 ASN A 10 9.695 -9.884 -7.592 1.00 70.20 H new ATOM 0 HB3 ASN A 10 10.907 -9.862 -8.857 1.00 70.20 H new ATOM 0 HD21 ASN A 10 7.091 -11.198 -9.591 1.00 3.35 H new ATOM 0 HD22 ASN A 10 7.640 -10.757 -7.971 1.00 3.35 H new ATOM 136 N THR A 11 13.210 -11.892 -8.156 1.00 52.21 N ATOM 137 CA THR A 11 14.411 -12.268 -8.891 1.00 31.32 C ATOM 138 C THR A 11 15.186 -13.357 -8.157 1.00 13.21 C ATOM 139 O THR A 11 15.891 -14.154 -8.775 1.00 24.45 O ATOM 140 CB THR A 11 15.336 -11.057 -9.114 1.00 30.04 C ATOM 141 OG1 THR A 11 16.396 -11.409 -10.009 1.00 43.45 O ATOM 142 CG2 THR A 11 15.919 -10.572 -7.795 1.00 42.31 C ATOM 0 H THR A 11 13.388 -11.417 -7.271 1.00 52.21 H new ATOM 0 HA THR A 11 14.083 -12.648 -9.859 1.00 31.32 H new ATOM 0 HB THR A 11 14.745 -10.251 -9.550 1.00 30.04 H new ATOM 0 HG1 THR A 11 16.979 -10.633 -10.147 1.00 43.45 H new ATOM 0 HG21 THR A 11 16.569 -9.716 -7.977 1.00 42.31 H new ATOM 0 HG22 THR A 11 15.110 -10.278 -7.126 1.00 42.31 H new ATOM 0 HG23 THR A 11 16.496 -11.374 -7.335 1.00 42.31 H new ATOM 150 N VAL A 12 15.049 -13.385 -6.835 1.00 23.01 N ATOM 151 CA VAL A 12 15.736 -14.378 -6.017 1.00 15.44 C ATOM 152 C VAL A 12 15.434 -15.792 -6.500 1.00 11.33 C ATOM 153 O VAL A 12 16.233 -16.707 -6.305 1.00 74.54 O ATOM 154 CB VAL A 12 15.335 -14.257 -4.534 1.00 52.13 C ATOM 155 CG1 VAL A 12 15.576 -12.843 -4.029 1.00 51.42 C ATOM 156 CG2 VAL A 12 13.881 -14.660 -4.341 1.00 73.14 C ATOM 0 H VAL A 12 14.469 -12.732 -6.308 1.00 23.01 H new ATOM 0 HA VAL A 12 16.804 -14.185 -6.114 1.00 15.44 H new ATOM 0 HB VAL A 12 15.957 -14.936 -3.951 1.00 52.13 H new ATOM 0 HG11 VAL A 12 15.287 -12.777 -2.980 1.00 51.42 H new ATOM 0 HG12 VAL A 12 16.633 -12.596 -4.130 1.00 51.42 H new ATOM 0 HG13 VAL A 12 14.981 -12.141 -4.614 1.00 51.42 H new ATOM 0 HG21 VAL A 12 13.615 -14.569 -3.288 1.00 73.14 H new ATOM 0 HG22 VAL A 12 13.241 -14.008 -4.935 1.00 73.14 H new ATOM 0 HG23 VAL A 12 13.744 -15.693 -4.661 1.00 73.14 H new ATOM 166 N GLN A 13 14.276 -15.961 -7.130 1.00 63.44 N ATOM 167 CA GLN A 13 13.869 -17.265 -7.641 1.00 43.15 C ATOM 168 C GLN A 13 14.970 -17.882 -8.497 1.00 64.14 C ATOM 169 O GLN A 13 15.088 -19.104 -8.589 1.00 12.43 O ATOM 170 CB GLN A 13 12.583 -17.137 -8.459 1.00 52.41 C ATOM 171 CG GLN A 13 11.340 -16.924 -7.609 1.00 64.52 C ATOM 172 CD GLN A 13 10.205 -17.852 -7.994 1.00 31.32 C ATOM 173 OE1 GLN A 13 9.722 -18.634 -7.174 1.00 14.30 O ATOM 174 NE2 GLN A 13 9.772 -17.771 -9.246 1.00 51.14 N ATOM 0 H GLN A 13 13.604 -15.213 -7.299 1.00 63.44 H new ATOM 0 HA GLN A 13 13.686 -17.920 -6.789 1.00 43.15 H new ATOM 0 HB2 GLN A 13 12.685 -16.303 -9.153 1.00 52.41 H new ATOM 0 HB3 GLN A 13 12.453 -18.038 -9.059 1.00 52.41 H new ATOM 0 HG2 GLN A 13 11.591 -17.079 -6.560 1.00 64.52 H new ATOM 0 HG3 GLN A 13 11.009 -15.890 -7.708 1.00 64.52 H new ATOM 0 HE21 GLN A 13 10.201 -17.109 -9.892 1.00 51.14 H new ATOM 0 HE22 GLN A 13 9.010 -18.371 -9.562 1.00 51.14 H new ATOM 183 N ALA A 14 15.775 -17.029 -9.123 1.00 73.13 N ATOM 184 CA ALA A 14 16.867 -17.491 -9.971 1.00 3.35 C ATOM 185 C ALA A 14 18.199 -16.902 -9.518 1.00 23.30 C ATOM 186 O ALA A 14 19.249 -17.212 -10.081 1.00 32.32 O ATOM 187 CB ALA A 14 16.596 -17.132 -11.424 1.00 10.30 C ATOM 0 H ALA A 14 15.691 -16.014 -9.059 1.00 73.13 H new ATOM 0 HA ALA A 14 16.929 -18.576 -9.883 1.00 3.35 H new ATOM 0 HB1 ALA A 14 17.420 -17.483 -12.045 1.00 10.30 H new ATOM 0 HB2 ALA A 14 15.669 -17.605 -11.749 1.00 10.30 H new ATOM 0 HB3 ALA A 14 16.504 -16.050 -11.521 1.00 10.30 H new ATOM 193 N ALA A 15 18.149 -16.051 -8.499 1.00 20.25 N ATOM 194 CA ALA A 15 19.352 -15.420 -7.970 1.00 21.40 C ATOM 195 C ALA A 15 19.777 -16.064 -6.654 1.00 54.03 C ATOM 196 O ALA A 15 20.921 -16.490 -6.503 1.00 22.02 O ATOM 197 CB ALA A 15 19.126 -13.928 -7.781 1.00 11.22 C ATOM 0 H ALA A 15 17.288 -15.782 -8.023 1.00 20.25 H new ATOM 0 HA ALA A 15 20.156 -15.566 -8.692 1.00 21.40 H new ATOM 0 HB1 ALA A 15 20.033 -13.470 -7.385 1.00 11.22 H new ATOM 0 HB2 ALA A 15 18.878 -13.473 -8.740 1.00 11.22 H new ATOM 0 HB3 ALA A 15 18.305 -13.770 -7.082 1.00 11.22 H new ATOM 203 N GLN A 16 18.847 -16.130 -5.706 1.00 64.13 N ATOM 204 CA GLN A 16 19.127 -16.721 -4.403 1.00 2.31 C ATOM 205 C GLN A 16 20.195 -15.923 -3.662 1.00 10.14 C ATOM 206 O GLN A 16 21.036 -16.492 -2.966 1.00 15.54 O ATOM 207 CB GLN A 16 19.579 -18.173 -4.564 1.00 21.20 C ATOM 208 CG GLN A 16 18.670 -18.997 -5.461 1.00 34.31 C ATOM 209 CD GLN A 16 19.036 -20.468 -5.469 1.00 75.44 C ATOM 210 OE1 GLN A 16 19.391 -21.038 -4.437 1.00 15.31 O ATOM 211 NE2 GLN A 16 18.951 -21.093 -6.638 1.00 73.12 N ATOM 0 H GLN A 16 17.895 -15.782 -5.816 1.00 64.13 H new ATOM 0 HA GLN A 16 18.209 -16.697 -3.817 1.00 2.31 H new ATOM 0 HB2 GLN A 16 20.589 -18.187 -4.973 1.00 21.20 H new ATOM 0 HB3 GLN A 16 19.627 -18.641 -3.581 1.00 21.20 H new ATOM 0 HG2 GLN A 16 17.638 -18.885 -5.128 1.00 34.31 H new ATOM 0 HG3 GLN A 16 18.720 -18.608 -6.478 1.00 34.31 H new ATOM 0 HE21 GLN A 16 18.652 -20.582 -7.469 1.00 73.12 H new ATOM 0 HE22 GLN A 16 19.184 -22.084 -6.705 1.00 73.12 H new ATOM 220 N GLN A 17 20.155 -14.603 -3.817 1.00 20.52 N ATOM 221 CA GLN A 17 21.120 -13.728 -3.163 1.00 25.35 C ATOM 222 C GLN A 17 22.533 -14.001 -3.669 1.00 20.34 C ATOM 223 O GLN A 17 23.497 -13.959 -2.903 1.00 51.43 O ATOM 224 CB GLN A 17 21.064 -13.916 -1.645 1.00 43.24 C ATOM 225 CG GLN A 17 19.650 -14.017 -1.097 1.00 22.31 C ATOM 226 CD GLN A 17 19.621 -14.268 0.398 1.00 73.41 C ATOM 227 OE1 GLN A 17 20.453 -13.750 1.143 1.00 63.34 O ATOM 228 NE2 GLN A 17 18.659 -15.067 0.845 1.00 12.14 N ATOM 0 H GLN A 17 19.465 -14.117 -4.390 1.00 20.52 H new ATOM 0 HA GLN A 17 20.860 -12.697 -3.404 1.00 25.35 H new ATOM 0 HB2 GLN A 17 21.614 -14.819 -1.378 1.00 43.24 H new ATOM 0 HB3 GLN A 17 21.572 -13.080 -1.165 1.00 43.24 H new ATOM 0 HG2 GLN A 17 19.112 -13.095 -1.317 1.00 22.31 H new ATOM 0 HG3 GLN A 17 19.123 -14.823 -1.607 1.00 22.31 H new ATOM 0 HE21 GLN A 17 17.990 -15.475 0.192 1.00 12.14 H new ATOM 0 HE22 GLN A 17 18.589 -15.273 1.842 1.00 12.14 H new ATOM 237 N HIS A 18 22.649 -14.283 -4.963 1.00 12.54 N ATOM 238 CA HIS A 18 23.944 -14.563 -5.571 1.00 45.42 C ATOM 239 C HIS A 18 24.469 -13.341 -6.319 1.00 52.44 C ATOM 240 O HIS A 18 25.381 -12.659 -5.852 1.00 43.01 O ATOM 241 CB HIS A 18 23.837 -15.752 -6.526 1.00 32.12 C ATOM 242 CG HIS A 18 25.052 -15.947 -7.379 1.00 61.12 C ATOM 243 ND1 HIS A 18 25.071 -15.684 -8.733 1.00 23.33 N ATOM 244 CD2 HIS A 18 26.295 -16.380 -7.064 1.00 20.41 C ATOM 245 CE1 HIS A 18 26.273 -15.949 -9.213 1.00 71.33 C ATOM 246 NE2 HIS A 18 27.035 -16.373 -8.221 1.00 14.11 N ATOM 0 H HIS A 18 21.862 -14.324 -5.610 1.00 12.54 H new ATOM 0 HA HIS A 18 24.646 -14.809 -4.774 1.00 45.42 H new ATOM 0 HB2 HIS A 18 23.661 -16.658 -5.946 1.00 32.12 H new ATOM 0 HB3 HIS A 18 22.969 -15.613 -7.171 1.00 32.12 H new ATOM 0 HD2 HIS A 18 26.641 -16.676 -6.085 1.00 20.41 H new ATOM 0 HE1 HIS A 18 26.580 -15.838 -10.242 1.00 71.33 H new ATOM 0 HE2 HIS A 18 28.013 -16.650 -8.301 1.00 14.11 H new ATOM 254 N ASP A 19 23.887 -13.070 -7.482 1.00 74.44 N ATOM 255 CA ASP A 19 24.295 -11.931 -8.295 1.00 51.43 C ATOM 256 C ASP A 19 24.091 -10.622 -7.538 1.00 24.24 C ATOM 257 O ASP A 19 24.872 -9.681 -7.683 1.00 32.40 O ATOM 258 CB ASP A 19 23.507 -11.903 -9.606 1.00 32.22 C ATOM 259 CG ASP A 19 22.177 -11.188 -9.467 1.00 45.32 C ATOM 260 OD1 ASP A 19 21.960 -10.193 -10.191 1.00 4.24 O ATOM 261 OD2 ASP A 19 21.354 -11.623 -8.636 1.00 73.00 O ATOM 0 H ASP A 19 23.130 -13.624 -7.883 1.00 74.44 H new ATOM 0 HA ASP A 19 25.356 -12.039 -8.520 1.00 51.43 H new ATOM 0 HB2 ASP A 19 24.103 -11.410 -10.374 1.00 32.22 H new ATOM 0 HB3 ASP A 19 23.333 -12.925 -9.944 1.00 32.22 H new ATOM 266 N SER A 20 23.037 -10.570 -6.730 1.00 3.14 N ATOM 267 CA SER A 20 22.728 -9.375 -5.953 1.00 22.23 C ATOM 268 C SER A 20 23.920 -8.961 -5.095 1.00 64.24 C ATOM 269 O SER A 20 24.074 -7.790 -4.750 1.00 4.31 O ATOM 270 CB SER A 20 21.507 -9.621 -5.064 1.00 43.31 C ATOM 271 OG SER A 20 21.720 -10.723 -4.199 1.00 14.21 O ATOM 0 H SER A 20 22.383 -11.341 -6.596 1.00 3.14 H new ATOM 0 HA SER A 20 22.505 -8.567 -6.649 1.00 22.23 H new ATOM 0 HB2 SER A 20 21.296 -8.728 -4.475 1.00 43.31 H new ATOM 0 HB3 SER A 20 20.632 -9.807 -5.686 1.00 43.31 H new ATOM 0 HG SER A 20 22.571 -11.155 -4.423 1.00 14.21 H new ATOM 277 N VAL A 21 24.762 -9.932 -4.755 1.00 63.13 N ATOM 278 CA VAL A 21 25.942 -9.670 -3.939 1.00 71.14 C ATOM 279 C VAL A 21 26.878 -8.683 -4.628 1.00 22.42 C ATOM 280 O VAL A 21 27.692 -8.026 -3.979 1.00 21.13 O ATOM 281 CB VAL A 21 26.714 -10.968 -3.636 1.00 41.13 C ATOM 282 CG1 VAL A 21 27.966 -10.668 -2.826 1.00 41.42 C ATOM 283 CG2 VAL A 21 25.822 -11.960 -2.906 1.00 71.10 C ATOM 0 H VAL A 21 24.649 -10.907 -5.032 1.00 63.13 H new ATOM 0 HA VAL A 21 25.590 -9.239 -3.002 1.00 71.14 H new ATOM 0 HB VAL A 21 27.020 -11.417 -4.581 1.00 41.13 H new ATOM 0 HG11 VAL A 21 28.498 -11.597 -2.622 1.00 41.42 H new ATOM 0 HG12 VAL A 21 28.612 -9.996 -3.391 1.00 41.42 H new ATOM 0 HG13 VAL A 21 27.686 -10.196 -1.884 1.00 41.42 H new ATOM 0 HG21 VAL A 21 26.384 -12.871 -2.700 1.00 71.10 H new ATOM 0 HG22 VAL A 21 25.483 -11.522 -1.967 1.00 71.10 H new ATOM 0 HG23 VAL A 21 24.959 -12.199 -3.527 1.00 71.10 H new ATOM 293 N LYS A 22 26.757 -8.584 -5.947 1.00 44.12 N ATOM 294 CA LYS A 22 27.591 -7.676 -6.726 1.00 2.00 C ATOM 295 C LYS A 22 26.744 -6.848 -7.686 1.00 53.25 C ATOM 296 O LYS A 22 27.272 -6.086 -8.497 1.00 52.43 O ATOM 297 CB LYS A 22 28.645 -8.463 -7.508 1.00 4.11 C ATOM 298 CG LYS A 22 29.909 -7.670 -7.792 1.00 43.03 C ATOM 299 CD LYS A 22 30.855 -7.682 -6.603 1.00 15.14 C ATOM 300 CE LYS A 22 31.825 -6.512 -6.650 1.00 65.04 C ATOM 301 NZ LYS A 22 32.687 -6.556 -7.864 1.00 4.20 N ATOM 0 H LYS A 22 26.089 -9.122 -6.500 1.00 44.12 H new ATOM 0 HA LYS A 22 28.091 -6.999 -6.034 1.00 2.00 H new ATOM 0 HB2 LYS A 22 28.907 -9.360 -6.947 1.00 4.11 H new ATOM 0 HB3 LYS A 22 28.213 -8.793 -8.453 1.00 4.11 H new ATOM 0 HG2 LYS A 22 30.413 -8.088 -8.663 1.00 43.03 H new ATOM 0 HG3 LYS A 22 29.646 -6.641 -8.038 1.00 43.03 H new ATOM 0 HD2 LYS A 22 30.279 -7.642 -5.678 1.00 15.14 H new ATOM 0 HD3 LYS A 22 31.413 -8.618 -6.590 1.00 15.14 H new ATOM 0 HE2 LYS A 22 31.266 -5.576 -6.635 1.00 65.04 H new ATOM 0 HE3 LYS A 22 32.452 -6.524 -5.758 1.00 65.04 H new ATOM 0 HZ1 LYS A 22 33.412 -5.813 -7.802 1.00 4.20 H new ATOM 0 HZ2 LYS A 22 33.149 -7.486 -7.928 1.00 4.20 H new ATOM 0 HZ3 LYS A 22 32.103 -6.400 -8.710 1.00 4.20 H new ATOM 315 N LEU A 23 25.428 -7.001 -7.589 1.00 52.33 N ATOM 316 CA LEU A 23 24.507 -6.265 -8.449 1.00 35.31 C ATOM 317 C LEU A 23 23.979 -5.021 -7.743 1.00 11.44 C ATOM 318 O LEU A 23 23.811 -3.969 -8.359 1.00 34.12 O ATOM 319 CB LEU A 23 23.340 -7.163 -8.865 1.00 52.30 C ATOM 320 CG LEU A 23 22.650 -6.800 -10.181 1.00 22.13 C ATOM 321 CD1 LEU A 23 21.995 -5.432 -10.080 1.00 54.44 C ATOM 322 CD2 LEU A 23 23.645 -6.834 -11.331 1.00 45.34 C ATOM 0 H LEU A 23 24.975 -7.628 -6.924 1.00 52.33 H new ATOM 0 HA LEU A 23 25.052 -5.951 -9.339 1.00 35.31 H new ATOM 0 HB2 LEU A 23 23.705 -8.188 -8.940 1.00 52.30 H new ATOM 0 HB3 LEU A 23 22.594 -7.147 -8.070 1.00 52.30 H new ATOM 0 HG LEU A 23 21.873 -7.538 -10.378 1.00 22.13 H new ATOM 0 HD11 LEU A 23 21.509 -5.191 -11.025 1.00 54.44 H new ATOM 0 HD12 LEU A 23 21.252 -5.442 -9.282 1.00 54.44 H new ATOM 0 HD13 LEU A 23 22.753 -4.681 -9.860 1.00 54.44 H new ATOM 0 HD21 LEU A 23 23.137 -6.573 -12.259 1.00 45.34 H new ATOM 0 HD22 LEU A 23 24.445 -6.118 -11.141 1.00 45.34 H new ATOM 0 HD23 LEU A 23 24.067 -7.835 -11.417 1.00 45.34 H new ATOM 334 N GLY A 24 23.721 -5.147 -6.444 1.00 62.33 N ATOM 335 CA GLY A 24 23.218 -4.025 -5.675 1.00 15.40 C ATOM 336 C GLY A 24 22.907 -4.398 -4.239 1.00 60.41 C ATOM 337 O GLY A 24 22.088 -5.281 -3.982 1.00 71.30 O ATOM 0 H GLY A 24 23.852 -6.007 -5.911 1.00 62.33 H new ATOM 0 HA2 GLY A 24 23.954 -3.221 -5.687 1.00 15.40 H new ATOM 0 HA3 GLY A 24 22.316 -3.638 -6.150 1.00 15.40 H new ATOM 341 N THR A 25 23.564 -3.726 -3.299 1.00 30.22 N ATOM 342 CA THR A 25 23.356 -3.994 -1.881 1.00 62.24 C ATOM 343 C THR A 25 21.902 -3.767 -1.486 1.00 54.13 C ATOM 344 O THR A 25 21.442 -4.267 -0.460 1.00 32.11 O ATOM 345 CB THR A 25 24.259 -3.107 -1.004 1.00 23.33 C ATOM 346 OG1 THR A 25 24.004 -3.367 0.381 1.00 11.22 O ATOM 347 CG2 THR A 25 24.024 -1.634 -1.301 1.00 11.04 C ATOM 0 H THR A 25 24.245 -2.992 -3.494 1.00 30.22 H new ATOM 0 HA THR A 25 23.615 -5.040 -1.716 1.00 62.24 H new ATOM 0 HB THR A 25 25.298 -3.345 -1.233 1.00 23.33 H new ATOM 0 HG1 THR A 25 23.287 -2.778 0.698 1.00 11.22 H new ATOM 0 HG21 THR A 25 24.673 -1.027 -0.669 1.00 11.04 H new ATOM 0 HG22 THR A 25 24.247 -1.434 -2.349 1.00 11.04 H new ATOM 0 HG23 THR A 25 22.983 -1.383 -1.098 1.00 11.04 H new ATOM 355 N SER A 26 21.181 -3.010 -2.308 1.00 4.11 N ATOM 356 CA SER A 26 19.779 -2.714 -2.042 1.00 55.10 C ATOM 357 C SER A 26 18.926 -3.974 -2.155 1.00 64.34 C ATOM 358 O SER A 26 17.770 -3.995 -1.733 1.00 0.23 O ATOM 359 CB SER A 26 19.267 -1.649 -3.014 1.00 72.45 C ATOM 360 OG SER A 26 17.926 -1.296 -2.724 1.00 12.52 O ATOM 0 H SER A 26 21.545 -2.591 -3.164 1.00 4.11 H new ATOM 0 HA SER A 26 19.701 -2.334 -1.023 1.00 55.10 H new ATOM 0 HB2 SER A 26 19.900 -0.764 -2.955 1.00 72.45 H new ATOM 0 HB3 SER A 26 19.335 -2.022 -4.036 1.00 72.45 H new ATOM 0 HG SER A 26 17.458 -2.070 -2.347 1.00 12.52 H new ATOM 366 N ILE A 27 19.506 -5.023 -2.729 1.00 24.21 N ATOM 367 CA ILE A 27 18.802 -6.288 -2.897 1.00 55.13 C ATOM 368 C ILE A 27 19.197 -7.286 -1.814 1.00 52.03 C ATOM 369 O ILE A 27 18.358 -8.026 -1.301 1.00 72.41 O ATOM 370 CB ILE A 27 19.081 -6.909 -4.279 1.00 4.23 C ATOM 371 CG1 ILE A 27 18.700 -5.928 -5.390 1.00 34.34 C ATOM 372 CG2 ILE A 27 18.321 -8.217 -4.435 1.00 61.22 C ATOM 373 CD1 ILE A 27 19.859 -5.091 -5.881 1.00 44.13 C ATOM 0 H ILE A 27 20.462 -5.022 -3.085 1.00 24.21 H new ATOM 0 HA ILE A 27 17.737 -6.069 -2.815 1.00 55.13 H new ATOM 0 HB ILE A 27 20.147 -7.120 -4.358 1.00 4.23 H new ATOM 0 HG12 ILE A 27 18.284 -6.486 -6.229 1.00 34.34 H new ATOM 0 HG13 ILE A 27 17.914 -5.267 -5.026 1.00 34.34 H new ATOM 0 HG21 ILE A 27 18.528 -8.643 -5.416 1.00 61.22 H new ATOM 0 HG22 ILE A 27 18.638 -8.916 -3.661 1.00 61.22 H new ATOM 0 HG23 ILE A 27 17.251 -8.030 -4.339 1.00 61.22 H new ATOM 0 HD11 ILE A 27 19.515 -4.419 -6.667 1.00 44.13 H new ATOM 0 HD12 ILE A 27 20.261 -4.506 -5.054 1.00 44.13 H new ATOM 0 HD13 ILE A 27 20.637 -5.744 -6.276 1.00 44.13 H new ATOM 385 N VAL A 28 20.481 -7.299 -1.470 1.00 35.44 N ATOM 386 CA VAL A 28 20.988 -8.204 -0.445 1.00 35.31 C ATOM 387 C VAL A 28 20.645 -7.699 0.952 1.00 23.43 C ATOM 388 O VAL A 28 20.658 -8.461 1.919 1.00 21.32 O ATOM 389 CB VAL A 28 22.514 -8.379 -0.556 1.00 72.30 C ATOM 390 CG1 VAL A 28 22.901 -8.811 -1.962 1.00 71.22 C ATOM 391 CG2 VAL A 28 23.227 -7.092 -0.169 1.00 73.35 C ATOM 0 H VAL A 28 21.189 -6.693 -1.886 1.00 35.44 H new ATOM 0 HA VAL A 28 20.507 -9.168 -0.608 1.00 35.31 H new ATOM 0 HB VAL A 28 22.824 -9.161 0.137 1.00 72.30 H new ATOM 0 HG11 VAL A 28 23.983 -8.930 -2.021 1.00 71.22 H new ATOM 0 HG12 VAL A 28 22.419 -9.760 -2.197 1.00 71.22 H new ATOM 0 HG13 VAL A 28 22.579 -8.054 -2.677 1.00 71.22 H new ATOM 0 HG21 VAL A 28 24.304 -7.234 -0.253 1.00 73.35 H new ATOM 0 HG22 VAL A 28 22.914 -6.288 -0.835 1.00 73.35 H new ATOM 0 HG23 VAL A 28 22.975 -6.831 0.859 1.00 73.35 H new ATOM 401 N ASP A 29 20.339 -6.411 1.051 1.00 40.41 N ATOM 402 CA ASP A 29 19.991 -5.803 2.330 1.00 22.02 C ATOM 403 C ASP A 29 18.484 -5.851 2.563 1.00 63.03 C ATOM 404 O ASP A 29 17.973 -5.248 3.506 1.00 14.34 O ATOM 405 CB ASP A 29 20.482 -4.355 2.382 1.00 71.33 C ATOM 406 CG ASP A 29 21.994 -4.255 2.353 1.00 23.32 C ATOM 407 OD1 ASP A 29 22.518 -3.131 2.500 1.00 52.20 O ATOM 408 OD2 ASP A 29 22.655 -5.302 2.185 1.00 54.40 O ATOM 0 H ASP A 29 20.325 -5.767 0.260 1.00 40.41 H new ATOM 0 HA ASP A 29 20.481 -6.373 3.120 1.00 22.02 H new ATOM 0 HB2 ASP A 29 20.068 -3.804 1.538 1.00 71.33 H new ATOM 0 HB3 ASP A 29 20.107 -3.879 3.288 1.00 71.33 H new ATOM 413 N ILE A 30 17.780 -6.571 1.696 1.00 12.03 N ATOM 414 CA ILE A 30 16.332 -6.697 1.808 1.00 71.23 C ATOM 415 C ILE A 30 15.919 -8.155 1.979 1.00 73.14 C ATOM 416 O ILE A 30 14.925 -8.457 2.640 1.00 3.42 O ATOM 417 CB ILE A 30 15.619 -6.115 0.573 1.00 43.31 C ATOM 418 CG1 ILE A 30 15.945 -4.627 0.424 1.00 72.14 C ATOM 419 CG2 ILE A 30 14.116 -6.325 0.680 1.00 24.42 C ATOM 420 CD1 ILE A 30 15.426 -3.778 1.562 1.00 15.34 C ATOM 0 H ILE A 30 18.188 -7.075 0.909 1.00 12.03 H new ATOM 0 HA ILE A 30 16.033 -6.131 2.690 1.00 71.23 H new ATOM 0 HB ILE A 30 15.976 -6.638 -0.314 1.00 43.31 H new ATOM 0 HG12 ILE A 30 17.026 -4.505 0.354 1.00 72.14 H new ATOM 0 HG13 ILE A 30 15.522 -4.263 -0.512 1.00 72.14 H new ATOM 0 HG21 ILE A 30 13.627 -5.908 -0.200 1.00 24.42 H new ATOM 0 HG22 ILE A 30 13.901 -7.392 0.744 1.00 24.42 H new ATOM 0 HG23 ILE A 30 13.742 -5.826 1.574 1.00 24.42 H new ATOM 0 HD11 ILE A 30 15.694 -2.736 1.390 1.00 15.34 H new ATOM 0 HD12 ILE A 30 14.341 -3.870 1.619 1.00 15.34 H new ATOM 0 HD13 ILE A 30 15.868 -4.116 2.499 1.00 15.34 H new ATOM 432 N VAL A 31 16.689 -9.057 1.379 1.00 61.04 N ATOM 433 CA VAL A 31 16.405 -10.484 1.466 1.00 24.55 C ATOM 434 C VAL A 31 16.942 -11.072 2.767 1.00 73.42 C ATOM 435 O VAL A 31 16.472 -12.111 3.230 1.00 22.14 O ATOM 436 CB VAL A 31 17.016 -11.252 0.279 1.00 75.13 C ATOM 437 CG1 VAL A 31 18.531 -11.117 0.277 1.00 54.11 C ATOM 438 CG2 VAL A 31 16.603 -12.716 0.322 1.00 13.42 C ATOM 0 H VAL A 31 17.515 -8.824 0.827 1.00 61.04 H new ATOM 0 HA VAL A 31 15.321 -10.593 1.440 1.00 24.55 H new ATOM 0 HB VAL A 31 16.636 -10.818 -0.646 1.00 75.13 H new ATOM 0 HG11 VAL A 31 18.944 -11.666 -0.569 1.00 54.11 H new ATOM 0 HG12 VAL A 31 18.802 -10.065 0.194 1.00 54.11 H new ATOM 0 HG13 VAL A 31 18.934 -11.523 1.205 1.00 54.11 H new ATOM 0 HG21 VAL A 31 17.044 -13.243 -0.524 1.00 13.42 H new ATOM 0 HG22 VAL A 31 16.952 -13.165 1.252 1.00 13.42 H new ATOM 0 HG23 VAL A 31 15.517 -12.789 0.269 1.00 13.42 H new ATOM 448 N ALA A 32 17.928 -10.400 3.351 1.00 22.21 N ATOM 449 CA ALA A 32 18.527 -10.854 4.600 1.00 62.41 C ATOM 450 C ALA A 32 18.330 -9.826 5.709 1.00 64.50 C ATOM 451 O ALA A 32 18.107 -10.182 6.865 1.00 22.32 O ATOM 452 CB ALA A 32 20.008 -11.142 4.401 1.00 31.20 C ATOM 0 H ALA A 32 18.329 -9.539 2.979 1.00 22.21 H new ATOM 0 HA ALA A 32 18.026 -11.774 4.901 1.00 62.41 H new ATOM 0 HB1 ALA A 32 20.443 -11.480 5.342 1.00 31.20 H new ATOM 0 HB2 ALA A 32 20.129 -11.918 3.645 1.00 31.20 H new ATOM 0 HB3 ALA A 32 20.514 -10.234 4.073 1.00 31.20 H new ATOM 458 N ASN A 33 18.415 -8.550 5.348 1.00 25.13 N ATOM 459 CA ASN A 33 18.248 -7.470 6.314 1.00 31.21 C ATOM 460 C ASN A 33 16.792 -7.018 6.378 1.00 61.34 C ATOM 461 O ASN A 33 16.208 -6.920 7.456 1.00 60.31 O ATOM 462 CB ASN A 33 19.146 -6.287 5.948 1.00 54.52 C ATOM 463 CG ASN A 33 20.406 -6.234 6.790 1.00 35.01 C ATOM 464 OD1 ASN A 33 20.364 -5.874 7.967 1.00 45.45 O ATOM 465 ND2 ASN A 33 21.534 -6.594 6.190 1.00 71.24 N ATOM 0 H ASN A 33 18.598 -8.238 4.394 1.00 25.13 H new ATOM 0 HA ASN A 33 18.537 -7.846 7.296 1.00 31.21 H new ATOM 0 HB2 ASN A 33 19.419 -6.354 4.895 1.00 54.52 H new ATOM 0 HB3 ASN A 33 18.589 -5.359 6.074 1.00 54.52 H new ATOM 0 HD21 ASN A 33 22.414 -6.579 6.706 1.00 71.24 H new ATOM 0 HD22 ASN A 33 21.521 -6.885 5.213 1.00 71.24 H new ATOM 472 N GLY A 34 16.212 -6.744 5.213 1.00 34.41 N ATOM 473 CA GLY A 34 14.829 -6.307 5.158 1.00 1.32 C ATOM 474 C GLY A 34 13.853 -7.433 5.433 1.00 71.44 C ATOM 475 O GLY A 34 12.686 -7.192 5.743 1.00 23.13 O ATOM 0 H GLY A 34 16.675 -6.817 4.307 1.00 34.41 H new ATOM 0 HA2 GLY A 34 14.674 -5.510 5.886 1.00 1.32 H new ATOM 0 HA3 GLY A 34 14.624 -5.885 4.174 1.00 1.32 H new ATOM 479 N VAL A 35 14.329 -8.669 5.316 1.00 5.23 N ATOM 480 CA VAL A 35 13.490 -9.837 5.554 1.00 65.45 C ATOM 481 C VAL A 35 12.971 -9.859 6.987 1.00 61.33 C ATOM 482 O VAL A 35 12.001 -10.549 7.296 1.00 73.30 O ATOM 483 CB VAL A 35 14.257 -11.144 5.277 1.00 22.30 C ATOM 484 CG1 VAL A 35 15.347 -11.355 6.318 1.00 55.14 C ATOM 485 CG2 VAL A 35 13.301 -12.327 5.248 1.00 54.32 C ATOM 0 H VAL A 35 15.291 -8.887 5.058 1.00 5.23 H new ATOM 0 HA VAL A 35 12.647 -9.766 4.867 1.00 65.45 H new ATOM 0 HB VAL A 35 14.732 -11.065 4.299 1.00 22.30 H new ATOM 0 HG11 VAL A 35 15.878 -12.283 6.106 1.00 55.14 H new ATOM 0 HG12 VAL A 35 16.048 -10.521 6.286 1.00 55.14 H new ATOM 0 HG13 VAL A 35 14.897 -11.413 7.309 1.00 55.14 H new ATOM 0 HG21 VAL A 35 13.860 -13.242 5.051 1.00 54.32 H new ATOM 0 HG22 VAL A 35 12.796 -12.410 6.210 1.00 54.32 H new ATOM 0 HG23 VAL A 35 12.561 -12.178 4.462 1.00 54.32 H new ATOM 495 N GLY A 36 13.625 -9.098 7.859 1.00 14.41 N ATOM 496 CA GLY A 36 13.214 -9.044 9.250 1.00 41.50 C ATOM 497 C GLY A 36 11.939 -8.248 9.448 1.00 72.34 C ATOM 498 O GLY A 36 11.397 -8.194 10.553 1.00 41.25 O ATOM 0 H GLY A 36 14.432 -8.518 7.627 1.00 14.41 H new ATOM 0 HA2 GLY A 36 13.067 -10.058 9.622 1.00 41.50 H new ATOM 0 HA3 GLY A 36 14.012 -8.599 9.844 1.00 41.50 H new ATOM 502 N LEU A 37 11.458 -7.629 8.376 1.00 50.55 N ATOM 503 CA LEU A 37 10.238 -6.830 8.436 1.00 64.20 C ATOM 504 C LEU A 37 9.019 -7.671 8.074 1.00 35.43 C ATOM 505 O LEU A 37 7.915 -7.426 8.562 1.00 14.44 O ATOM 506 CB LEU A 37 10.343 -5.631 7.492 1.00 2.13 C ATOM 507 CG LEU A 37 11.174 -4.451 7.997 1.00 41.54 C ATOM 508 CD1 LEU A 37 11.523 -3.515 6.850 1.00 52.42 C ATOM 509 CD2 LEU A 37 10.427 -3.701 9.091 1.00 63.44 C ATOM 0 H LEU A 37 11.894 -7.665 7.454 1.00 50.55 H new ATOM 0 HA LEU A 37 10.118 -6.470 9.458 1.00 64.20 H new ATOM 0 HB2 LEU A 37 10.769 -5.973 6.549 1.00 2.13 H new ATOM 0 HB3 LEU A 37 9.336 -5.274 7.276 1.00 2.13 H new ATOM 0 HG LEU A 37 12.101 -4.839 8.418 1.00 41.54 H new ATOM 0 HD11 LEU A 37 12.114 -2.681 7.228 1.00 52.42 H new ATOM 0 HD12 LEU A 37 12.098 -4.057 6.100 1.00 52.42 H new ATOM 0 HD13 LEU A 37 10.606 -3.135 6.399 1.00 52.42 H new ATOM 0 HD21 LEU A 37 11.034 -2.865 9.438 1.00 63.44 H new ATOM 0 HD22 LEU A 37 9.483 -3.325 8.695 1.00 63.44 H new ATOM 0 HD23 LEU A 37 10.228 -4.375 9.924 1.00 63.44 H new ATOM 521 N LEU A 38 9.225 -8.666 7.218 1.00 51.31 N ATOM 522 CA LEU A 38 8.142 -9.546 6.792 1.00 3.11 C ATOM 523 C LEU A 38 8.306 -10.939 7.391 1.00 60.34 C ATOM 524 O LEU A 38 7.430 -11.792 7.252 1.00 23.25 O ATOM 525 CB LEU A 38 8.102 -9.636 5.266 1.00 51.44 C ATOM 526 CG LEU A 38 8.799 -10.847 4.646 1.00 72.33 C ATOM 527 CD1 LEU A 38 8.598 -10.865 3.138 1.00 33.44 C ATOM 528 CD2 LEU A 38 10.282 -10.842 4.988 1.00 74.52 C ATOM 0 H LEU A 38 10.132 -8.884 6.805 1.00 51.31 H new ATOM 0 HA LEU A 38 7.202 -9.125 7.149 1.00 3.11 H new ATOM 0 HB2 LEU A 38 7.059 -9.641 4.950 1.00 51.44 H new ATOM 0 HB3 LEU A 38 8.555 -8.733 4.857 1.00 51.44 H new ATOM 0 HG LEU A 38 8.354 -11.751 5.062 1.00 72.33 H new ATOM 0 HD11 LEU A 38 9.101 -11.734 2.714 1.00 33.44 H new ATOM 0 HD12 LEU A 38 7.533 -10.917 2.914 1.00 33.44 H new ATOM 0 HD13 LEU A 38 9.016 -9.957 2.704 1.00 33.44 H new ATOM 0 HD21 LEU A 38 10.762 -11.711 4.538 1.00 74.52 H new ATOM 0 HD22 LEU A 38 10.742 -9.933 4.601 1.00 74.52 H new ATOM 0 HD23 LEU A 38 10.406 -10.878 6.070 1.00 74.52 H new ATOM 540 N GLY A 39 9.434 -11.162 8.058 1.00 20.44 N ATOM 541 CA GLY A 39 9.691 -12.453 8.670 1.00 62.00 C ATOM 542 C GLY A 39 8.636 -12.832 9.690 1.00 1.43 C ATOM 543 O GLY A 39 8.343 -14.012 9.883 1.00 0.34 O ATOM 0 H GLY A 39 10.174 -10.472 8.186 1.00 20.44 H new ATOM 0 HA2 GLY A 39 9.733 -13.217 7.894 1.00 62.00 H new ATOM 0 HA3 GLY A 39 10.668 -12.435 9.152 1.00 62.00 H new ATOM 547 N LYS A 40 8.064 -11.828 10.348 1.00 60.55 N ATOM 548 CA LYS A 40 7.035 -12.061 11.355 1.00 45.34 C ATOM 549 C LYS A 40 5.654 -12.139 10.713 1.00 32.31 C ATOM 550 O LYS A 40 4.762 -12.823 11.218 1.00 52.34 O ATOM 551 CB LYS A 40 7.060 -10.947 12.404 1.00 34.10 C ATOM 552 CG LYS A 40 8.170 -11.101 13.429 1.00 34.53 C ATOM 553 CD LYS A 40 7.906 -10.261 14.667 1.00 32.25 C ATOM 554 CE LYS A 40 6.790 -10.852 15.515 1.00 74.42 C ATOM 555 NZ LYS A 40 6.625 -10.123 16.802 1.00 14.54 N ATOM 0 H LYS A 40 8.296 -10.846 10.202 1.00 60.55 H new ATOM 0 HA LYS A 40 7.244 -13.014 11.840 1.00 45.34 H new ATOM 0 HB2 LYS A 40 7.173 -9.987 11.900 1.00 34.10 H new ATOM 0 HB3 LYS A 40 6.100 -10.924 12.921 1.00 34.10 H new ATOM 0 HG2 LYS A 40 8.262 -12.149 13.712 1.00 34.53 H new ATOM 0 HG3 LYS A 40 9.121 -10.807 12.984 1.00 34.53 H new ATOM 0 HD2 LYS A 40 8.817 -10.190 15.261 1.00 32.25 H new ATOM 0 HD3 LYS A 40 7.640 -9.247 14.370 1.00 32.25 H new ATOM 0 HE2 LYS A 40 5.854 -10.820 14.957 1.00 74.42 H new ATOM 0 HE3 LYS A 40 7.005 -11.901 15.717 1.00 74.42 H new ATOM 0 HZ1 LYS A 40 5.855 -10.557 17.350 1.00 14.54 H new ATOM 0 HZ2 LYS A 40 7.510 -10.175 17.346 1.00 14.54 H new ATOM 0 HZ3 LYS A 40 6.395 -9.127 16.610 1.00 14.54 H new ATOM 569 N LEU A 41 5.484 -11.437 9.598 1.00 35.42 N ATOM 570 CA LEU A 41 4.210 -11.429 8.886 1.00 22.13 C ATOM 571 C LEU A 41 3.919 -12.796 8.275 1.00 44.34 C ATOM 572 O LEU A 41 2.789 -13.281 8.323 1.00 21.51 O ATOM 573 CB LEU A 41 4.222 -10.360 7.792 1.00 21.03 C ATOM 574 CG LEU A 41 3.673 -8.989 8.188 1.00 51.23 C ATOM 575 CD1 LEU A 41 4.720 -7.909 7.962 1.00 73.12 C ATOM 576 CD2 LEU A 41 2.405 -8.677 7.406 1.00 12.35 C ATOM 0 H LEU A 41 6.211 -10.866 9.167 1.00 35.42 H new ATOM 0 HA LEU A 41 3.422 -11.197 9.603 1.00 22.13 H new ATOM 0 HB2 LEU A 41 5.248 -10.233 7.447 1.00 21.03 H new ATOM 0 HB3 LEU A 41 3.645 -10.729 6.944 1.00 21.03 H new ATOM 0 HG LEU A 41 3.426 -9.010 9.249 1.00 51.23 H new ATOM 0 HD11 LEU A 41 4.311 -6.940 8.249 1.00 73.12 H new ATOM 0 HD12 LEU A 41 5.601 -8.125 8.566 1.00 73.12 H new ATOM 0 HD13 LEU A 41 4.999 -7.887 6.908 1.00 73.12 H new ATOM 0 HD21 LEU A 41 2.028 -7.698 7.700 1.00 12.35 H new ATOM 0 HD22 LEU A 41 2.627 -8.675 6.339 1.00 12.35 H new ATOM 0 HD23 LEU A 41 1.651 -9.435 7.618 1.00 12.35 H new ATOM 588 N PHE A 42 4.947 -13.412 7.701 1.00 63.31 N ATOM 589 CA PHE A 42 4.803 -14.724 7.081 1.00 74.14 C ATOM 590 C PHE A 42 5.531 -15.792 7.891 1.00 33.33 C ATOM 591 O PHE A 42 4.905 -16.607 8.569 1.00 44.31 O ATOM 592 CB PHE A 42 5.343 -14.697 5.649 1.00 30.44 C ATOM 593 CG PHE A 42 4.623 -13.729 4.755 1.00 62.11 C ATOM 594 CD1 PHE A 42 3.670 -14.175 3.854 1.00 73.01 C ATOM 595 CD2 PHE A 42 4.901 -12.373 4.815 1.00 54.24 C ATOM 596 CE1 PHE A 42 3.005 -13.287 3.030 1.00 42.54 C ATOM 597 CE2 PHE A 42 4.239 -11.480 3.993 1.00 0.31 C ATOM 598 CZ PHE A 42 3.291 -11.937 3.099 1.00 61.23 C ATOM 0 H PHE A 42 5.889 -13.024 7.652 1.00 63.31 H new ATOM 0 HA PHE A 42 3.742 -14.972 7.057 1.00 74.14 H new ATOM 0 HB2 PHE A 42 6.402 -14.438 5.673 1.00 30.44 H new ATOM 0 HB3 PHE A 42 5.269 -15.697 5.222 1.00 30.44 H new ATOM 0 HD1 PHE A 42 3.444 -15.229 3.795 1.00 73.01 H new ATOM 0 HD2 PHE A 42 5.643 -12.010 5.511 1.00 54.24 H new ATOM 0 HE1 PHE A 42 2.263 -13.648 2.333 1.00 42.54 H new ATOM 0 HE2 PHE A 42 4.463 -10.425 4.050 1.00 0.31 H new ATOM 0 HZ PHE A 42 2.774 -11.241 2.455 1.00 61.23 H new ATOM 608 N GLY A 43 6.858 -15.782 7.815 1.00 22.15 N ATOM 609 CA GLY A 43 7.650 -16.754 8.546 1.00 64.33 C ATOM 610 C GLY A 43 8.346 -17.741 7.629 1.00 32.43 C ATOM 611 O GLY A 43 8.001 -18.923 7.602 1.00 61.14 O ATOM 0 H GLY A 43 7.399 -15.118 7.260 1.00 22.15 H new ATOM 0 HA2 GLY A 43 8.395 -16.233 9.147 1.00 64.33 H new ATOM 0 HA3 GLY A 43 7.006 -17.297 9.238 1.00 64.33 H new ATOM 615 N PHE A 44 9.327 -17.257 6.876 1.00 40.45 N ATOM 616 CA PHE A 44 10.071 -18.104 5.951 1.00 21.21 C ATOM 617 C PHE A 44 10.929 -19.113 6.709 1.00 45.11 C ATOM 618 O PHE A 44 10.709 -20.320 6.621 1.00 35.01 O ATOM 619 CB PHE A 44 10.954 -17.249 5.040 1.00 71.12 C ATOM 620 CG PHE A 44 10.207 -16.626 3.895 1.00 4.21 C ATOM 621 CD1 PHE A 44 10.028 -17.318 2.709 1.00 71.44 C ATOM 622 CD2 PHE A 44 9.686 -15.347 4.005 1.00 14.15 C ATOM 623 CE1 PHE A 44 9.341 -16.748 1.653 1.00 1.04 C ATOM 624 CE2 PHE A 44 8.998 -14.772 2.954 1.00 54.51 C ATOM 625 CZ PHE A 44 8.826 -15.472 1.776 1.00 22.31 C ATOM 0 H PHE A 44 9.626 -16.282 6.888 1.00 40.45 H new ATOM 0 HA PHE A 44 9.353 -18.650 5.340 1.00 21.21 H new ATOM 0 HB2 PHE A 44 11.418 -16.461 5.633 1.00 71.12 H new ATOM 0 HB3 PHE A 44 11.760 -17.867 4.644 1.00 71.12 H new ATOM 0 HD1 PHE A 44 10.430 -18.315 2.608 1.00 71.44 H new ATOM 0 HD2 PHE A 44 9.819 -14.793 4.923 1.00 14.15 H new ATOM 0 HE1 PHE A 44 9.207 -17.299 0.734 1.00 1.04 H new ATOM 0 HE2 PHE A 44 8.595 -13.775 3.054 1.00 54.51 H new ATOM 0 HZ PHE A 44 8.290 -15.023 0.953 1.00 22.31 H new TER 635 PHE A 44