USER MOD reduce.3.24.130724 H: found=0, std=0, add=325, rem=0, adj=7 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 180:sc= 0 (180deg=0) USER MOD Single : A 1 MET N :NH3+ -168:sc= 0 (180deg=-0.128) USER MOD Single : A 2 THR OG1 : rot -160:sc= -0.261 USER MOD Single : A 10 ASN : amide:sc= 0 X(o=0,f=0.11) USER MOD Single : A 11 THR OG1 : rot 180:sc= 0 USER MOD Single : A 13 GLN : amide:sc= 0 X(o=0,f=-0.0088) USER MOD Single : A 16 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 17 GLN : amide:sc= -2.27! C(o=-2.3!,f=-3.6!) USER MOD Single : A 18 HIS : no HD1:sc= -0.861 K(o=-0.86,f=-1.5) USER MOD Single : A 20 SER OG : rot 180:sc= -1.52 USER MOD Single : A 22 LYS NZ :NH3+ 136:sc= -0.31 (180deg=-1.46!) USER MOD Single : A 25 THR OG1 : rot 180:sc= 0 USER MOD Single : A 26 SER OG : rot -49:sc= 0.42 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 1.684 -6.879 -0.841 1.00 0.21 N ATOM 2 CA MET A 1 1.873 -6.464 -2.226 1.00 41.50 C ATOM 3 C MET A 1 2.096 -4.957 -2.316 1.00 75.14 C ATOM 4 O MET A 1 1.240 -4.221 -2.809 1.00 11.23 O ATOM 5 CB MET A 1 0.662 -6.864 -3.071 1.00 11.53 C ATOM 6 CG MET A 1 0.534 -8.364 -3.277 1.00 34.13 C ATOM 7 SD MET A 1 -0.962 -8.816 -4.176 1.00 73.32 S ATOM 8 CE MET A 1 -0.849 -10.604 -4.145 1.00 1.41 C ATOM 0 H1 MET A 1 1.737 -7.916 -0.779 1.00 0.21 H new ATOM 0 H2 MET A 1 2.427 -6.458 -0.248 1.00 0.21 H new ATOM 0 H3 MET A 1 0.752 -6.560 -0.507 1.00 0.21 H new ATOM 0 HA MET A 1 2.759 -6.968 -2.613 1.00 41.50 H new ATOM 0 HB2 MET A 1 -0.244 -6.493 -2.592 1.00 11.53 H new ATOM 0 HB3 MET A 1 0.731 -6.376 -4.043 1.00 11.53 H new ATOM 0 HG2 MET A 1 1.405 -8.728 -3.822 1.00 34.13 H new ATOM 0 HG3 MET A 1 0.535 -8.861 -2.307 1.00 34.13 H new ATOM 0 HE1 MET A 1 -1.707 -11.032 -4.664 1.00 1.41 H new ATOM 0 HE2 MET A 1 0.069 -10.919 -4.641 1.00 1.41 H new ATOM 0 HE3 MET A 1 -0.841 -10.950 -3.111 1.00 1.41 H new ATOM 18 N THR A 2 3.250 -4.504 -1.838 1.00 1.03 N ATOM 19 CA THR A 2 3.584 -3.086 -1.863 1.00 40.42 C ATOM 20 C THR A 2 4.996 -2.862 -2.394 1.00 33.54 C ATOM 21 O THR A 2 5.635 -1.859 -2.082 1.00 1.22 O ATOM 22 CB THR A 2 3.469 -2.456 -0.462 1.00 71.01 C ATOM 23 OG1 THR A 2 4.015 -3.344 0.520 1.00 14.41 O ATOM 24 CG2 THR A 2 2.018 -2.148 -0.125 1.00 32.53 C ATOM 0 H THR A 2 3.970 -5.099 -1.428 1.00 1.03 H new ATOM 0 HA THR A 2 2.868 -2.605 -2.529 1.00 40.42 H new ATOM 0 HB THR A 2 4.032 -1.522 -0.459 1.00 71.01 H new ATOM 0 HG1 THR A 2 3.668 -3.106 1.405 1.00 14.41 H new ATOM 0 HG21 THR A 2 1.962 -1.704 0.869 1.00 32.53 H new ATOM 0 HG22 THR A 2 1.615 -1.449 -0.858 1.00 32.53 H new ATOM 0 HG23 THR A 2 1.437 -3.070 -0.144 1.00 32.53 H new ATOM 32 N GLY A 3 5.477 -3.805 -3.198 1.00 74.45 N ATOM 33 CA GLY A 3 6.810 -3.692 -3.760 1.00 30.10 C ATOM 34 C GLY A 3 7.880 -3.574 -2.693 1.00 42.11 C ATOM 35 O GLY A 3 8.980 -3.086 -2.957 1.00 51.04 O ATOM 0 H GLY A 3 4.967 -4.645 -3.470 1.00 74.45 H new ATOM 0 HA2 GLY A 3 7.015 -4.564 -4.381 1.00 30.10 H new ATOM 0 HA3 GLY A 3 6.853 -2.820 -4.412 1.00 30.10 H new ATOM 39 N LEU A 4 7.559 -4.020 -1.484 1.00 1.45 N ATOM 40 CA LEU A 4 8.501 -3.960 -0.371 1.00 62.13 C ATOM 41 C LEU A 4 9.587 -5.021 -0.520 1.00 31.21 C ATOM 42 O LEU A 4 10.766 -4.701 -0.669 1.00 14.43 O ATOM 43 CB LEU A 4 7.766 -4.149 0.957 1.00 74.35 C ATOM 44 CG LEU A 4 7.130 -2.895 1.557 1.00 44.43 C ATOM 45 CD1 LEU A 4 6.222 -3.260 2.720 1.00 21.42 C ATOM 46 CD2 LEU A 4 8.205 -1.915 2.004 1.00 2.43 C ATOM 0 H LEU A 4 6.654 -4.427 -1.249 1.00 1.45 H new ATOM 0 HA LEU A 4 8.974 -2.978 -0.380 1.00 62.13 H new ATOM 0 HB2 LEU A 4 6.985 -4.895 0.814 1.00 74.35 H new ATOM 0 HB3 LEU A 4 8.468 -4.559 1.683 1.00 74.35 H new ATOM 0 HG LEU A 4 6.524 -2.415 0.788 1.00 44.43 H new ATOM 0 HD11 LEU A 4 5.779 -2.354 3.134 1.00 21.42 H new ATOM 0 HD12 LEU A 4 5.431 -3.924 2.370 1.00 21.42 H new ATOM 0 HD13 LEU A 4 6.804 -3.764 3.492 1.00 21.42 H new ATOM 0 HD21 LEU A 4 7.735 -1.028 2.429 1.00 2.43 H new ATOM 0 HD22 LEU A 4 8.837 -2.386 2.757 1.00 2.43 H new ATOM 0 HD23 LEU A 4 8.814 -1.628 1.147 1.00 2.43 H new ATOM 58 N ALA A 5 9.180 -6.286 -0.481 1.00 4.14 N ATOM 59 CA ALA A 5 10.118 -7.394 -0.615 1.00 74.12 C ATOM 60 C ALA A 5 9.857 -8.181 -1.895 1.00 34.42 C ATOM 61 O ALA A 5 10.763 -8.804 -2.446 1.00 62.42 O ATOM 62 CB ALA A 5 10.030 -8.309 0.597 1.00 23.31 C ATOM 0 H ALA A 5 8.208 -6.569 -0.358 1.00 4.14 H new ATOM 0 HA ALA A 5 11.125 -6.981 -0.672 1.00 74.12 H new ATOM 0 HB1 ALA A 5 10.736 -9.132 0.484 1.00 23.31 H new ATOM 0 HB2 ALA A 5 10.272 -7.745 1.497 1.00 23.31 H new ATOM 0 HB3 ALA A 5 9.019 -8.707 0.680 1.00 23.31 H new ATOM 68 N GLU A 6 8.612 -8.149 -2.361 1.00 30.13 N ATOM 69 CA GLU A 6 8.233 -8.862 -3.575 1.00 12.20 C ATOM 70 C GLU A 6 9.153 -8.490 -4.734 1.00 24.21 C ATOM 71 O GLU A 6 9.566 -9.349 -5.512 1.00 64.04 O ATOM 72 CB GLU A 6 6.781 -8.551 -3.943 1.00 75.00 C ATOM 73 CG GLU A 6 5.773 -9.469 -3.272 1.00 13.01 C ATOM 74 CD GLU A 6 4.521 -9.668 -4.104 1.00 33.32 C ATOM 75 OE1 GLU A 6 4.356 -8.946 -5.109 1.00 41.22 O ATOM 76 OE2 GLU A 6 3.706 -10.546 -3.750 1.00 11.31 O ATOM 0 H GLU A 6 7.850 -7.637 -1.916 1.00 30.13 H new ATOM 0 HA GLU A 6 8.331 -9.931 -3.384 1.00 12.20 H new ATOM 0 HB2 GLU A 6 6.559 -7.520 -3.670 1.00 75.00 H new ATOM 0 HB3 GLU A 6 6.665 -8.626 -5.024 1.00 75.00 H new ATOM 0 HG2 GLU A 6 6.238 -10.437 -3.084 1.00 13.01 H new ATOM 0 HG3 GLU A 6 5.498 -9.054 -2.302 1.00 13.01 H new ATOM 83 N ALA A 7 9.470 -7.204 -4.841 1.00 51.13 N ATOM 84 CA ALA A 7 10.342 -6.718 -5.903 1.00 42.12 C ATOM 85 C ALA A 7 11.678 -7.453 -5.896 1.00 21.21 C ATOM 86 O ALA A 7 12.102 -8.000 -6.915 1.00 12.32 O ATOM 87 CB ALA A 7 10.562 -5.219 -5.761 1.00 73.04 C ATOM 0 H ALA A 7 9.136 -6.480 -4.205 1.00 51.13 H new ATOM 0 HA ALA A 7 9.854 -6.914 -6.858 1.00 42.12 H new ATOM 0 HB1 ALA A 7 11.215 -4.870 -6.561 1.00 73.04 H new ATOM 0 HB2 ALA A 7 9.604 -4.703 -5.824 1.00 73.04 H new ATOM 0 HB3 ALA A 7 11.025 -5.009 -4.797 1.00 73.04 H new ATOM 93 N ILE A 8 12.337 -7.462 -4.742 1.00 50.01 N ATOM 94 CA ILE A 8 13.625 -8.131 -4.603 1.00 53.35 C ATOM 95 C ILE A 8 13.485 -9.637 -4.793 1.00 60.33 C ATOM 96 O ILE A 8 14.385 -10.293 -5.318 1.00 33.14 O ATOM 97 CB ILE A 8 14.257 -7.855 -3.227 1.00 1.54 C ATOM 98 CG1 ILE A 8 14.275 -6.351 -2.941 1.00 74.44 C ATOM 99 CG2 ILE A 8 15.665 -8.427 -3.166 1.00 63.12 C ATOM 100 CD1 ILE A 8 15.015 -5.547 -3.986 1.00 44.34 C ATOM 0 H ILE A 8 12.000 -7.014 -3.890 1.00 50.01 H new ATOM 0 HA ILE A 8 14.275 -7.728 -5.379 1.00 53.35 H new ATOM 0 HB ILE A 8 13.653 -8.344 -2.463 1.00 1.54 H new ATOM 0 HG12 ILE A 8 13.249 -5.989 -2.875 1.00 74.44 H new ATOM 0 HG13 ILE A 8 14.736 -6.180 -1.968 1.00 74.44 H new ATOM 0 HG21 ILE A 8 16.098 -8.224 -2.187 1.00 63.12 H new ATOM 0 HG22 ILE A 8 15.628 -9.504 -3.330 1.00 63.12 H new ATOM 0 HG23 ILE A 8 16.280 -7.964 -3.938 1.00 63.12 H new ATOM 0 HD11 ILE A 8 14.987 -4.491 -3.719 1.00 44.34 H new ATOM 0 HD12 ILE A 8 16.051 -5.882 -4.036 1.00 44.34 H new ATOM 0 HD13 ILE A 8 14.541 -5.688 -4.957 1.00 44.34 H new ATOM 112 N ALA A 9 12.350 -10.179 -4.365 1.00 31.44 N ATOM 113 CA ALA A 9 12.090 -11.608 -4.491 1.00 22.22 C ATOM 114 C ALA A 9 11.630 -11.960 -5.901 1.00 71.03 C ATOM 115 O ALA A 9 11.366 -13.122 -6.206 1.00 72.22 O ATOM 116 CB ALA A 9 11.052 -12.048 -3.469 1.00 72.14 C ATOM 0 H ALA A 9 11.595 -9.650 -3.928 1.00 31.44 H new ATOM 0 HA ALA A 9 13.022 -12.140 -4.298 1.00 22.22 H new ATOM 0 HB1 ALA A 9 10.868 -13.117 -3.575 1.00 72.14 H new ATOM 0 HB2 ALA A 9 11.420 -11.841 -2.464 1.00 72.14 H new ATOM 0 HB3 ALA A 9 10.124 -11.502 -3.635 1.00 72.14 H new ATOM 122 N ASN A 10 11.535 -10.948 -6.758 1.00 2.04 N ATOM 123 CA ASN A 10 11.105 -11.151 -8.136 1.00 41.03 C ATOM 124 C ASN A 10 12.277 -11.578 -9.015 1.00 22.25 C ATOM 125 O ASN A 10 12.089 -12.040 -10.140 1.00 74.44 O ATOM 126 CB ASN A 10 10.478 -9.870 -8.691 1.00 21.23 C ATOM 127 CG ASN A 10 9.489 -10.147 -9.807 1.00 3.32 C ATOM 128 OD1 ASN A 10 9.877 -10.479 -10.927 1.00 24.02 O ATOM 129 ND2 ASN A 10 8.203 -10.010 -9.505 1.00 3.11 N ATOM 0 H ASN A 10 11.750 -9.979 -6.522 1.00 2.04 H new ATOM 0 HA ASN A 10 10.359 -11.946 -8.144 1.00 41.03 H new ATOM 0 HB2 ASN A 10 9.973 -9.337 -7.885 1.00 21.23 H new ATOM 0 HB3 ASN A 10 11.266 -9.214 -9.062 1.00 21.23 H new ATOM 0 HD21 ASN A 10 7.491 -10.182 -10.215 1.00 3.11 H new ATOM 0 HD22 ASN A 10 7.927 -9.733 -8.563 1.00 3.11 H new ATOM 136 N THR A 11 13.490 -11.421 -8.492 1.00 15.02 N ATOM 137 CA THR A 11 14.693 -11.789 -9.227 1.00 74.43 C ATOM 138 C THR A 11 15.423 -12.941 -8.546 1.00 34.03 C ATOM 139 O THR A 11 16.159 -13.689 -9.188 1.00 63.42 O ATOM 140 CB THR A 11 15.656 -10.595 -9.363 1.00 53.04 C ATOM 141 OG1 THR A 11 16.732 -10.932 -10.245 1.00 43.24 O ATOM 142 CG2 THR A 11 16.212 -10.191 -8.006 1.00 64.35 C ATOM 0 H THR A 11 13.664 -11.041 -7.562 1.00 15.02 H new ATOM 0 HA THR A 11 14.372 -12.102 -10.220 1.00 74.43 H new ATOM 0 HB THR A 11 15.100 -9.753 -9.775 1.00 53.04 H new ATOM 0 HG1 THR A 11 17.339 -10.167 -10.327 1.00 43.24 H new ATOM 0 HG21 THR A 11 16.890 -9.346 -8.127 1.00 64.35 H new ATOM 0 HG22 THR A 11 15.392 -9.907 -7.347 1.00 64.35 H new ATOM 0 HG23 THR A 11 16.754 -11.031 -7.570 1.00 64.35 H new ATOM 150 N VAL A 12 15.213 -13.079 -7.240 1.00 41.43 N ATOM 151 CA VAL A 12 15.850 -14.141 -6.471 1.00 62.05 C ATOM 152 C VAL A 12 15.509 -15.513 -7.043 1.00 3.25 C ATOM 153 O VAL A 12 16.236 -16.483 -6.828 1.00 51.41 O ATOM 154 CB VAL A 12 15.427 -14.094 -4.991 1.00 43.32 C ATOM 155 CG1 VAL A 12 15.730 -12.729 -4.392 1.00 44.34 C ATOM 156 CG2 VAL A 12 13.951 -14.432 -4.848 1.00 40.13 C ATOM 0 H VAL A 12 14.606 -12.468 -6.693 1.00 41.43 H new ATOM 0 HA VAL A 12 16.926 -13.979 -6.538 1.00 62.05 H new ATOM 0 HB VAL A 12 16.002 -14.840 -4.443 1.00 43.32 H new ATOM 0 HG11 VAL A 12 15.424 -12.715 -3.346 1.00 44.34 H new ATOM 0 HG12 VAL A 12 16.800 -12.531 -4.460 1.00 44.34 H new ATOM 0 HG13 VAL A 12 15.183 -11.962 -4.940 1.00 44.34 H new ATOM 0 HG21 VAL A 12 13.669 -14.394 -3.796 1.00 40.13 H new ATOM 0 HG22 VAL A 12 13.357 -13.711 -5.409 1.00 40.13 H new ATOM 0 HG23 VAL A 12 13.768 -15.434 -5.237 1.00 40.13 H new ATOM 166 N GLN A 13 14.400 -15.585 -7.771 1.00 33.54 N ATOM 167 CA GLN A 13 13.962 -16.839 -8.373 1.00 25.53 C ATOM 168 C GLN A 13 15.091 -17.482 -9.172 1.00 23.54 C ATOM 169 O GLN A 13 15.256 -18.702 -9.161 1.00 0.15 O ATOM 170 CB GLN A 13 12.753 -16.600 -9.278 1.00 31.50 C ATOM 171 CG GLN A 13 11.510 -16.152 -8.527 1.00 12.13 C ATOM 172 CD GLN A 13 10.247 -16.814 -9.041 1.00 15.23 C ATOM 173 OE1 GLN A 13 9.988 -16.833 -10.244 1.00 72.44 O ATOM 174 NE2 GLN A 13 9.452 -17.361 -8.129 1.00 35.23 N ATOM 0 H GLN A 13 13.788 -14.791 -7.958 1.00 33.54 H new ATOM 0 HA GLN A 13 13.677 -17.518 -7.570 1.00 25.53 H new ATOM 0 HB2 GLN A 13 13.010 -15.845 -10.022 1.00 31.50 H new ATOM 0 HB3 GLN A 13 12.528 -17.518 -9.820 1.00 31.50 H new ATOM 0 HG2 GLN A 13 11.629 -16.379 -7.467 1.00 12.13 H new ATOM 0 HG3 GLN A 13 11.409 -15.070 -8.612 1.00 12.13 H new ATOM 0 HE21 GLN A 13 9.706 -17.322 -7.142 1.00 35.23 H new ATOM 0 HE22 GLN A 13 8.587 -17.820 -8.416 1.00 35.23 H new ATOM 183 N ALA A 14 15.866 -16.654 -9.864 1.00 52.12 N ATOM 184 CA ALA A 14 16.980 -17.142 -10.667 1.00 41.34 C ATOM 185 C ALA A 14 18.308 -16.595 -10.154 1.00 32.34 C ATOM 186 O ALA A 14 19.354 -17.220 -10.324 1.00 23.04 O ATOM 187 CB ALA A 14 16.782 -16.765 -12.128 1.00 62.43 C ATOM 0 H ALA A 14 15.743 -15.642 -9.885 1.00 52.12 H new ATOM 0 HA ALA A 14 17.007 -18.228 -10.583 1.00 41.34 H new ATOM 0 HB1 ALA A 14 17.621 -17.136 -12.716 1.00 62.43 H new ATOM 0 HB2 ALA A 14 15.857 -17.209 -12.496 1.00 62.43 H new ATOM 0 HB3 ALA A 14 16.726 -15.680 -12.219 1.00 62.43 H new ATOM 193 N ALA A 15 18.257 -15.425 -9.525 1.00 65.24 N ATOM 194 CA ALA A 15 19.456 -14.796 -8.986 1.00 3.41 C ATOM 195 C ALA A 15 19.877 -15.449 -7.674 1.00 34.31 C ATOM 196 O ALA A 15 21.066 -15.633 -7.415 1.00 54.02 O ATOM 197 CB ALA A 15 19.225 -13.305 -8.785 1.00 31.31 C ATOM 0 H ALA A 15 17.399 -14.894 -9.376 1.00 65.24 H new ATOM 0 HA ALA A 15 20.263 -14.934 -9.705 1.00 3.41 H new ATOM 0 HB1 ALA A 15 20.129 -12.848 -8.382 1.00 31.31 H new ATOM 0 HB2 ALA A 15 18.980 -12.843 -9.741 1.00 31.31 H new ATOM 0 HB3 ALA A 15 18.401 -13.155 -8.088 1.00 31.31 H new ATOM 203 N GLN A 16 18.894 -15.797 -6.850 1.00 35.31 N ATOM 204 CA GLN A 16 19.163 -16.429 -5.564 1.00 21.22 C ATOM 205 C GLN A 16 20.210 -15.644 -4.780 1.00 73.02 C ATOM 206 O GLN A 16 21.017 -16.223 -4.054 1.00 11.24 O ATOM 207 CB GLN A 16 19.636 -17.869 -5.769 1.00 24.34 C ATOM 208 CG GLN A 16 18.749 -18.674 -6.704 1.00 33.31 C ATOM 209 CD GLN A 16 19.272 -20.077 -6.942 1.00 42.00 C ATOM 210 OE1 GLN A 16 20.097 -20.302 -7.828 1.00 60.11 O ATOM 211 NE2 GLN A 16 18.795 -21.030 -6.150 1.00 15.31 N ATOM 0 H GLN A 16 17.904 -15.652 -7.050 1.00 35.31 H new ATOM 0 HA GLN A 16 18.236 -16.437 -4.990 1.00 21.22 H new ATOM 0 HB2 GLN A 16 20.651 -17.856 -6.166 1.00 24.34 H new ATOM 0 HB3 GLN A 16 19.679 -18.370 -4.802 1.00 24.34 H new ATOM 0 HG2 GLN A 16 17.744 -18.731 -6.286 1.00 33.31 H new ATOM 0 HG3 GLN A 16 18.668 -18.154 -7.659 1.00 33.31 H new ATOM 0 HE21 GLN A 16 18.112 -20.799 -5.428 1.00 15.31 H new ATOM 0 HE22 GLN A 16 19.111 -21.993 -6.263 1.00 15.31 H new ATOM 220 N GLN A 17 20.189 -14.324 -4.934 1.00 25.03 N ATOM 221 CA GLN A 17 21.138 -13.460 -4.241 1.00 21.23 C ATOM 222 C GLN A 17 22.552 -13.668 -4.772 1.00 64.30 C ATOM 223 O GLN A 17 23.520 -13.666 -4.010 1.00 34.42 O ATOM 224 CB GLN A 17 21.101 -13.731 -2.736 1.00 0.44 C ATOM 225 CG GLN A 17 19.695 -13.889 -2.180 1.00 52.43 C ATOM 226 CD GLN A 17 19.675 -14.014 -0.670 1.00 34.24 C ATOM 227 OE1 GLN A 17 20.415 -13.324 0.032 1.00 33.32 O ATOM 228 NE2 GLN A 17 18.825 -14.898 -0.160 1.00 74.12 N ATOM 0 H GLN A 17 19.526 -13.830 -5.532 1.00 25.03 H new ATOM 0 HA GLN A 17 20.849 -12.425 -4.424 1.00 21.23 H new ATOM 0 HB2 GLN A 17 21.670 -14.636 -2.524 1.00 0.44 H new ATOM 0 HB3 GLN A 17 21.599 -12.913 -2.216 1.00 0.44 H new ATOM 0 HG2 GLN A 17 19.092 -13.031 -2.478 1.00 52.43 H new ATOM 0 HG3 GLN A 17 19.232 -14.772 -2.620 1.00 52.43 H new ATOM 0 HE21 GLN A 17 18.230 -15.449 -0.779 1.00 74.12 H new ATOM 0 HE22 GLN A 17 18.767 -15.026 0.850 1.00 74.12 H new ATOM 237 N HIS A 18 22.666 -13.848 -6.084 1.00 51.02 N ATOM 238 CA HIS A 18 23.963 -14.057 -6.718 1.00 31.32 C ATOM 239 C HIS A 18 24.569 -12.731 -7.167 1.00 12.14 C ATOM 240 O HIS A 18 25.535 -12.247 -6.576 1.00 72.31 O ATOM 241 CB HIS A 18 23.824 -14.999 -7.915 1.00 15.53 C ATOM 242 CG HIS A 18 23.839 -16.449 -7.541 1.00 53.21 C ATOM 243 ND1 HIS A 18 23.045 -17.393 -8.157 1.00 73.01 N ATOM 244 CD2 HIS A 18 24.559 -17.116 -6.609 1.00 44.52 C ATOM 245 CE1 HIS A 18 23.275 -18.577 -7.619 1.00 60.41 C ATOM 246 NE2 HIS A 18 24.191 -18.436 -6.678 1.00 34.54 N ATOM 0 H HIS A 18 21.876 -13.853 -6.729 1.00 51.02 H new ATOM 0 HA HIS A 18 24.629 -14.510 -5.984 1.00 31.32 H new ATOM 0 HB2 HIS A 18 22.893 -14.776 -8.436 1.00 15.53 H new ATOM 0 HB3 HIS A 18 24.636 -14.805 -8.616 1.00 15.53 H new ATOM 0 HD2 HIS A 18 25.288 -16.689 -5.936 1.00 44.52 H new ATOM 0 HE1 HIS A 18 22.796 -19.503 -7.901 1.00 60.41 H new ATOM 0 HE2 HIS A 18 24.564 -19.187 -6.097 1.00 34.54 H new ATOM 254 N ASP A 19 23.996 -12.149 -8.214 1.00 54.30 N ATOM 255 CA ASP A 19 24.479 -10.878 -8.742 1.00 31.02 C ATOM 256 C ASP A 19 24.416 -9.788 -7.677 1.00 10.14 C ATOM 257 O ASP A 19 25.173 -8.818 -7.721 1.00 73.12 O ATOM 258 CB ASP A 19 23.657 -10.463 -9.963 1.00 60.01 C ATOM 259 CG ASP A 19 24.315 -10.866 -11.268 1.00 60.30 C ATOM 260 OD1 ASP A 19 24.947 -9.999 -11.907 1.00 52.03 O ATOM 261 OD2 ASP A 19 24.199 -12.050 -11.650 1.00 10.54 O ATOM 0 H ASP A 19 23.196 -12.537 -8.714 1.00 54.30 H new ATOM 0 HA ASP A 19 25.519 -11.009 -9.041 1.00 31.02 H new ATOM 0 HB2 ASP A 19 22.668 -10.917 -9.903 1.00 60.01 H new ATOM 0 HB3 ASP A 19 23.513 -9.383 -9.950 1.00 60.01 H new ATOM 266 N SER A 20 23.508 -9.954 -6.720 1.00 51.22 N ATOM 267 CA SER A 20 23.343 -8.982 -5.646 1.00 55.41 C ATOM 268 C SER A 20 24.616 -8.871 -4.813 1.00 12.12 C ATOM 269 O SER A 20 25.062 -7.772 -4.483 1.00 31.04 O ATOM 270 CB SER A 20 22.166 -9.374 -4.751 1.00 30.54 C ATOM 271 OG SER A 20 22.553 -10.350 -3.798 1.00 43.24 O ATOM 0 H SER A 20 22.876 -10.753 -6.667 1.00 51.22 H new ATOM 0 HA SER A 20 23.139 -8.011 -6.097 1.00 55.41 H new ATOM 0 HB2 SER A 20 21.785 -8.491 -4.238 1.00 30.54 H new ATOM 0 HB3 SER A 20 21.352 -9.762 -5.364 1.00 30.54 H new ATOM 0 HG SER A 20 21.784 -10.583 -3.237 1.00 43.24 H new ATOM 277 N VAL A 21 25.197 -10.018 -4.476 1.00 35.12 N ATOM 278 CA VAL A 21 26.419 -10.052 -3.682 1.00 0.20 C ATOM 279 C VAL A 21 27.537 -9.270 -4.362 1.00 4.13 C ATOM 280 O VAL A 21 28.463 -8.791 -3.706 1.00 51.00 O ATOM 281 CB VAL A 21 26.892 -11.498 -3.441 1.00 12.34 C ATOM 282 CG1 VAL A 21 28.190 -11.510 -2.648 1.00 41.11 C ATOM 283 CG2 VAL A 21 25.814 -12.298 -2.726 1.00 34.03 C ATOM 0 H VAL A 21 24.841 -10.936 -4.741 1.00 35.12 H new ATOM 0 HA VAL A 21 26.187 -9.589 -2.723 1.00 0.20 H new ATOM 0 HB VAL A 21 27.080 -11.966 -4.407 1.00 12.34 H new ATOM 0 HG11 VAL A 21 28.509 -12.540 -2.487 1.00 41.11 H new ATOM 0 HG12 VAL A 21 28.960 -10.974 -3.203 1.00 41.11 H new ATOM 0 HG13 VAL A 21 28.032 -11.025 -1.685 1.00 41.11 H new ATOM 0 HG21 VAL A 21 26.165 -13.317 -2.564 1.00 34.03 H new ATOM 0 HG22 VAL A 21 25.593 -11.833 -1.765 1.00 34.03 H new ATOM 0 HG23 VAL A 21 24.911 -12.318 -3.336 1.00 34.03 H new ATOM 293 N LYS A 22 27.446 -9.143 -5.681 1.00 71.42 N ATOM 294 CA LYS A 22 28.449 -8.418 -6.452 1.00 55.21 C ATOM 295 C LYS A 22 28.000 -6.984 -6.715 1.00 53.03 C ATOM 296 O LYS A 22 28.824 -6.094 -6.929 1.00 40.10 O ATOM 297 CB LYS A 22 28.716 -9.131 -7.779 1.00 61.52 C ATOM 298 CG LYS A 22 29.893 -8.560 -8.551 1.00 11.23 C ATOM 299 CD LYS A 22 30.502 -9.592 -9.484 1.00 60.35 C ATOM 300 CE LYS A 22 31.522 -10.462 -8.765 1.00 14.11 C ATOM 301 NZ LYS A 22 30.890 -11.659 -8.143 1.00 52.44 N ATOM 0 H LYS A 22 26.687 -9.533 -6.239 1.00 71.42 H new ATOM 0 HA LYS A 22 29.370 -8.392 -5.869 1.00 55.21 H new ATOM 0 HB2 LYS A 22 28.899 -10.188 -7.584 1.00 61.52 H new ATOM 0 HB3 LYS A 22 27.822 -9.072 -8.400 1.00 61.52 H new ATOM 0 HG2 LYS A 22 29.566 -7.695 -9.128 1.00 11.23 H new ATOM 0 HG3 LYS A 22 30.651 -8.208 -7.852 1.00 11.23 H new ATOM 0 HD2 LYS A 22 29.713 -10.221 -9.897 1.00 60.35 H new ATOM 0 HD3 LYS A 22 30.980 -9.087 -10.324 1.00 60.35 H new ATOM 0 HE2 LYS A 22 32.289 -10.782 -9.471 1.00 14.11 H new ATOM 0 HE3 LYS A 22 32.022 -9.874 -7.995 1.00 14.11 H new ATOM 0 HZ1 LYS A 22 31.476 -12.498 -8.330 1.00 52.44 H new ATOM 0 HZ2 LYS A 22 30.810 -11.515 -7.116 1.00 52.44 H new ATOM 0 HZ3 LYS A 22 29.943 -11.801 -8.548 1.00 52.44 H new ATOM 315 N LEU A 23 26.689 -6.766 -6.697 1.00 64.40 N ATOM 316 CA LEU A 23 26.131 -5.439 -6.932 1.00 72.42 C ATOM 317 C LEU A 23 24.652 -5.397 -6.559 1.00 44.05 C ATOM 318 O LEU A 23 23.810 -5.960 -7.257 1.00 15.22 O ATOM 319 CB LEU A 23 26.311 -5.041 -8.398 1.00 74.22 C ATOM 320 CG LEU A 23 26.370 -3.540 -8.684 1.00 23.24 C ATOM 321 CD1 LEU A 23 25.056 -2.873 -8.310 1.00 75.24 C ATOM 322 CD2 LEU A 23 27.528 -2.900 -7.931 1.00 53.12 C ATOM 0 H LEU A 23 25.993 -7.491 -6.522 1.00 64.40 H new ATOM 0 HA LEU A 23 26.666 -4.729 -6.301 1.00 72.42 H new ATOM 0 HB2 LEU A 23 27.229 -5.497 -8.767 1.00 74.22 H new ATOM 0 HB3 LEU A 23 25.489 -5.468 -8.973 1.00 74.22 H new ATOM 0 HG LEU A 23 26.534 -3.399 -9.752 1.00 23.24 H new ATOM 0 HD11 LEU A 23 25.117 -1.805 -8.521 1.00 75.24 H new ATOM 0 HD12 LEU A 23 24.246 -3.312 -8.893 1.00 75.24 H new ATOM 0 HD13 LEU A 23 24.861 -3.023 -7.248 1.00 75.24 H new ATOM 0 HD21 LEU A 23 27.556 -1.832 -8.146 1.00 53.12 H new ATOM 0 HD22 LEU A 23 27.394 -3.052 -6.860 1.00 53.12 H new ATOM 0 HD23 LEU A 23 28.465 -3.358 -8.247 1.00 53.12 H new ATOM 334 N GLY A 24 24.345 -4.723 -5.455 1.00 74.22 N ATOM 335 CA GLY A 24 22.967 -4.618 -5.010 1.00 43.12 C ATOM 336 C GLY A 24 22.858 -4.330 -3.526 1.00 20.11 C ATOM 337 O GLY A 24 22.541 -5.219 -2.735 1.00 11.25 O ATOM 0 H GLY A 24 25.025 -4.248 -4.861 1.00 74.22 H new ATOM 0 HA2 GLY A 24 22.467 -3.826 -5.568 1.00 43.12 H new ATOM 0 HA3 GLY A 24 22.443 -5.547 -5.236 1.00 43.12 H new ATOM 341 N THR A 25 23.123 -3.084 -3.145 1.00 72.11 N ATOM 342 CA THR A 25 23.056 -2.682 -1.746 1.00 15.11 C ATOM 343 C THR A 25 21.625 -2.747 -1.223 1.00 51.34 C ATOM 344 O THR A 25 21.394 -3.069 -0.058 1.00 74.12 O ATOM 345 CB THR A 25 23.599 -1.255 -1.545 1.00 4.12 C ATOM 346 OG1 THR A 25 23.519 -0.890 -0.162 1.00 63.43 O ATOM 347 CG2 THR A 25 22.819 -0.255 -2.384 1.00 55.11 C ATOM 0 H THR A 25 23.386 -2.336 -3.786 1.00 72.11 H new ATOM 0 HA THR A 25 23.677 -3.381 -1.186 1.00 15.11 H new ATOM 0 HB THR A 25 24.641 -1.239 -1.865 1.00 4.12 H new ATOM 0 HG1 THR A 25 23.868 0.018 -0.043 1.00 63.43 H new ATOM 0 HG21 THR A 25 23.221 0.746 -2.225 1.00 55.11 H new ATOM 0 HG22 THR A 25 22.907 -0.518 -3.438 1.00 55.11 H new ATOM 0 HG23 THR A 25 21.769 -0.275 -2.091 1.00 55.11 H new ATOM 355 N SER A 26 20.668 -2.439 -2.093 1.00 12.22 N ATOM 356 CA SER A 26 19.259 -2.459 -1.717 1.00 72.25 C ATOM 357 C SER A 26 18.614 -3.788 -2.099 1.00 23.55 C ATOM 358 O SER A 26 17.402 -3.867 -2.302 1.00 24.32 O ATOM 359 CB SER A 26 18.513 -1.306 -2.392 1.00 10.04 C ATOM 360 OG SER A 26 17.227 -1.128 -1.823 1.00 24.24 O ATOM 0 H SER A 26 20.843 -2.173 -3.062 1.00 12.22 H new ATOM 0 HA SER A 26 19.195 -2.341 -0.635 1.00 72.25 H new ATOM 0 HB2 SER A 26 19.090 -0.387 -2.290 1.00 10.04 H new ATOM 0 HB3 SER A 26 18.417 -1.506 -3.459 1.00 10.04 H new ATOM 0 HG SER A 26 16.767 -1.992 -1.776 1.00 24.24 H new ATOM 366 N ILE A 27 19.434 -4.830 -2.193 1.00 74.23 N ATOM 367 CA ILE A 27 18.944 -6.156 -2.549 1.00 22.43 C ATOM 368 C ILE A 27 19.462 -7.212 -1.577 1.00 52.14 C ATOM 369 O ILE A 27 18.737 -8.132 -1.199 1.00 73.24 O ATOM 370 CB ILE A 27 19.359 -6.545 -3.980 1.00 42.31 C ATOM 371 CG1 ILE A 27 18.822 -5.524 -4.985 1.00 0.50 C ATOM 372 CG2 ILE A 27 18.858 -7.941 -4.317 1.00 31.25 C ATOM 373 CD1 ILE A 27 19.786 -4.393 -5.272 1.00 32.43 C ATOM 0 H ILE A 27 20.439 -4.781 -2.028 1.00 74.23 H new ATOM 0 HA ILE A 27 17.856 -6.116 -2.494 1.00 22.43 H new ATOM 0 HB ILE A 27 20.447 -6.547 -4.038 1.00 42.31 H new ATOM 0 HG12 ILE A 27 18.586 -6.035 -5.918 1.00 0.50 H new ATOM 0 HG13 ILE A 27 17.889 -5.108 -4.604 1.00 0.50 H new ATOM 0 HG21 ILE A 27 19.160 -8.201 -5.332 1.00 31.25 H new ATOM 0 HG22 ILE A 27 19.284 -8.659 -3.617 1.00 31.25 H new ATOM 0 HG23 ILE A 27 17.771 -7.965 -4.244 1.00 31.25 H new ATOM 0 HD11 ILE A 27 19.339 -3.708 -5.992 1.00 32.43 H new ATOM 0 HD12 ILE A 27 20.004 -3.857 -4.348 1.00 32.43 H new ATOM 0 HD13 ILE A 27 20.711 -4.798 -5.683 1.00 32.43 H new ATOM 385 N VAL A 28 20.721 -7.071 -1.175 1.00 70.41 N ATOM 386 CA VAL A 28 21.336 -8.011 -0.245 1.00 13.11 C ATOM 387 C VAL A 28 20.872 -7.752 1.184 1.00 32.41 C ATOM 388 O VAL A 28 20.885 -8.652 2.024 1.00 23.14 O ATOM 389 CB VAL A 28 22.873 -7.928 -0.297 1.00 12.41 C ATOM 390 CG1 VAL A 28 23.372 -8.156 -1.715 1.00 44.44 C ATOM 391 CG2 VAL A 28 23.352 -6.586 0.237 1.00 54.14 C ATOM 0 H VAL A 28 21.335 -6.315 -1.479 1.00 70.41 H new ATOM 0 HA VAL A 28 21.023 -9.009 -0.551 1.00 13.11 H new ATOM 0 HB VAL A 28 23.284 -8.713 0.338 1.00 12.41 H new ATOM 0 HG11 VAL A 28 24.460 -8.094 -1.732 1.00 44.44 H new ATOM 0 HG12 VAL A 28 23.060 -9.143 -2.056 1.00 44.44 H new ATOM 0 HG13 VAL A 28 22.955 -7.395 -2.374 1.00 44.44 H new ATOM 0 HG21 VAL A 28 24.440 -6.544 0.193 1.00 54.14 H new ATOM 0 HG22 VAL A 28 22.933 -5.783 -0.369 1.00 54.14 H new ATOM 0 HG23 VAL A 28 23.026 -6.468 1.270 1.00 54.14 H new ATOM 401 N ASP A 29 20.461 -6.518 1.453 1.00 41.13 N ATOM 402 CA ASP A 29 19.991 -6.140 2.780 1.00 32.54 C ATOM 403 C ASP A 29 18.467 -6.094 2.824 1.00 14.40 C ATOM 404 O ASP A 29 17.881 -5.377 3.637 1.00 61.42 O ATOM 405 CB ASP A 29 20.567 -4.782 3.182 1.00 51.43 C ATOM 406 CG ASP A 29 22.082 -4.758 3.133 1.00 30.03 C ATOM 407 OD1 ASP A 29 22.645 -3.757 2.642 1.00 12.24 O ATOM 408 OD2 ASP A 29 22.705 -5.740 3.587 1.00 30.31 O ATOM 0 H ASP A 29 20.444 -5.762 0.769 1.00 41.13 H new ATOM 0 HA ASP A 29 20.334 -6.894 3.488 1.00 32.54 H new ATOM 0 HB2 ASP A 29 20.173 -4.013 2.518 1.00 51.43 H new ATOM 0 HB3 ASP A 29 20.235 -4.534 4.190 1.00 51.43 H new ATOM 413 N ILE A 30 17.831 -6.860 1.944 1.00 31.14 N ATOM 414 CA ILE A 30 16.375 -6.906 1.883 1.00 3.40 C ATOM 415 C ILE A 30 15.869 -8.344 1.911 1.00 15.41 C ATOM 416 O ILE A 30 14.904 -8.660 2.607 1.00 13.12 O ATOM 417 CB ILE A 30 15.843 -6.210 0.616 1.00 63.31 C ATOM 418 CG1 ILE A 30 16.319 -4.757 0.567 1.00 23.02 C ATOM 419 CG2 ILE A 30 14.324 -6.277 0.573 1.00 30.43 C ATOM 420 CD1 ILE A 30 15.870 -3.934 1.754 1.00 53.21 C ATOM 0 H ILE A 30 18.301 -7.457 1.264 1.00 31.14 H new ATOM 0 HA ILE A 30 16.005 -6.377 2.761 1.00 3.40 H new ATOM 0 HB ILE A 30 16.235 -6.730 -0.258 1.00 63.31 H new ATOM 0 HG12 ILE A 30 17.408 -4.741 0.515 1.00 23.02 H new ATOM 0 HG13 ILE A 30 15.950 -4.293 -0.347 1.00 23.02 H new ATOM 0 HG21 ILE A 30 13.963 -5.781 -0.328 1.00 30.43 H new ATOM 0 HG22 ILE A 30 14.006 -7.320 0.565 1.00 30.43 H new ATOM 0 HG23 ILE A 30 13.913 -5.779 1.451 1.00 30.43 H new ATOM 0 HD11 ILE A 30 16.244 -2.915 1.652 1.00 53.21 H new ATOM 0 HD12 ILE A 30 14.781 -3.919 1.795 1.00 53.21 H new ATOM 0 HD13 ILE A 30 16.262 -4.374 2.671 1.00 53.21 H new ATOM 432 N VAL A 31 16.527 -9.212 1.150 1.00 21.33 N ATOM 433 CA VAL A 31 16.146 -10.618 1.090 1.00 73.22 C ATOM 434 C VAL A 31 16.592 -11.363 2.343 1.00 34.00 C ATOM 435 O VAL A 31 16.018 -12.390 2.704 1.00 62.42 O ATOM 436 CB VAL A 31 16.748 -11.310 -0.147 1.00 63.52 C ATOM 437 CG1 VAL A 31 18.268 -11.306 -0.075 1.00 34.03 C ATOM 438 CG2 VAL A 31 16.217 -12.730 -0.275 1.00 35.03 C ATOM 0 H VAL A 31 17.327 -8.966 0.566 1.00 21.33 H new ATOM 0 HA VAL A 31 15.059 -10.648 1.021 1.00 73.22 H new ATOM 0 HB VAL A 31 16.448 -10.753 -1.034 1.00 63.52 H new ATOM 0 HG11 VAL A 31 18.675 -11.799 -0.958 1.00 34.03 H new ATOM 0 HG12 VAL A 31 18.628 -10.278 -0.035 1.00 34.03 H new ATOM 0 HG13 VAL A 31 18.591 -11.838 0.820 1.00 34.03 H new ATOM 0 HG21 VAL A 31 16.653 -13.204 -1.155 1.00 35.03 H new ATOM 0 HG22 VAL A 31 16.485 -13.300 0.615 1.00 35.03 H new ATOM 0 HG23 VAL A 31 15.132 -12.705 -0.377 1.00 35.03 H new ATOM 448 N ALA A 32 17.618 -10.837 3.003 1.00 22.43 N ATOM 449 CA ALA A 32 18.140 -11.451 4.218 1.00 12.12 C ATOM 450 C ALA A 32 17.919 -10.548 5.427 1.00 31.44 C ATOM 451 O ALA A 32 17.555 -11.017 6.505 1.00 22.11 O ATOM 452 CB ALA A 32 19.619 -11.767 4.056 1.00 23.15 C ATOM 0 H ALA A 32 18.104 -9.987 2.717 1.00 22.43 H new ATOM 0 HA ALA A 32 17.598 -12.381 4.388 1.00 12.12 H new ATOM 0 HB1 ALA A 32 19.996 -12.225 4.971 1.00 23.15 H new ATOM 0 HB2 ALA A 32 19.755 -12.456 3.223 1.00 23.15 H new ATOM 0 HB3 ALA A 32 20.168 -10.846 3.858 1.00 23.15 H new ATOM 458 N ASN A 33 18.142 -9.252 5.241 1.00 41.42 N ATOM 459 CA ASN A 33 17.968 -8.283 6.318 1.00 65.44 C ATOM 460 C ASN A 33 16.537 -7.757 6.350 1.00 31.02 C ATOM 461 O ASN A 33 15.829 -7.915 7.344 1.00 74.44 O ATOM 462 CB ASN A 33 18.948 -7.120 6.148 1.00 33.13 C ATOM 463 CG ASN A 33 20.256 -7.355 6.878 1.00 65.35 C ATOM 464 OD1 ASN A 33 21.160 -8.012 6.359 1.00 54.42 O ATOM 465 ND2 ASN A 33 20.364 -6.819 8.088 1.00 40.14 N ATOM 0 H ASN A 33 18.444 -8.847 4.355 1.00 41.42 H new ATOM 0 HA ASN A 33 18.172 -8.786 7.263 1.00 65.44 H new ATOM 0 HB2 ASN A 33 19.149 -6.970 5.087 1.00 33.13 H new ATOM 0 HB3 ASN A 33 18.488 -6.204 6.518 1.00 33.13 H new ATOM 0 HD21 ASN A 33 21.221 -6.944 8.627 1.00 40.14 H new ATOM 0 HD22 ASN A 33 19.590 -6.282 8.479 1.00 40.14 H new ATOM 472 N GLY A 34 16.117 -7.130 5.255 1.00 23.12 N ATOM 473 CA GLY A 34 14.772 -6.590 5.179 1.00 64.43 C ATOM 474 C GLY A 34 13.712 -7.630 5.483 1.00 62.34 C ATOM 475 O GLY A 34 12.627 -7.300 5.961 1.00 2.13 O ATOM 0 H GLY A 34 16.684 -6.987 4.419 1.00 23.12 H new ATOM 0 HA2 GLY A 34 14.676 -5.762 5.881 1.00 64.43 H new ATOM 0 HA3 GLY A 34 14.603 -6.184 4.182 1.00 64.43 H new ATOM 479 N VAL A 35 14.025 -8.891 5.202 1.00 20.54 N ATOM 480 CA VAL A 35 13.091 -9.984 5.448 1.00 12.52 C ATOM 481 C VAL A 35 12.830 -10.159 6.940 1.00 4.20 C ATOM 482 O VAL A 35 11.804 -10.705 7.342 1.00 52.12 O ATOM 483 CB VAL A 35 13.615 -11.311 4.870 1.00 21.52 C ATOM 484 CG1 VAL A 35 14.838 -11.784 5.641 1.00 2.34 C ATOM 485 CG2 VAL A 35 12.522 -12.369 4.889 1.00 14.11 C ATOM 0 H VAL A 35 14.918 -9.181 4.804 1.00 20.54 H new ATOM 0 HA VAL A 35 12.159 -9.722 4.948 1.00 12.52 H new ATOM 0 HB VAL A 35 13.910 -11.144 3.834 1.00 21.52 H new ATOM 0 HG11 VAL A 35 15.194 -12.723 5.218 1.00 2.34 H new ATOM 0 HG12 VAL A 35 15.625 -11.033 5.571 1.00 2.34 H new ATOM 0 HG13 VAL A 35 14.573 -11.935 6.687 1.00 2.34 H new ATOM 0 HG21 VAL A 35 12.910 -13.300 4.477 1.00 14.11 H new ATOM 0 HG22 VAL A 35 12.194 -12.535 5.915 1.00 14.11 H new ATOM 0 HG23 VAL A 35 11.678 -12.031 4.289 1.00 14.11 H new ATOM 495 N GLY A 36 13.768 -9.691 7.758 1.00 3.31 N ATOM 496 CA GLY A 36 13.622 -9.805 9.197 1.00 14.24 C ATOM 497 C GLY A 36 12.465 -8.982 9.729 1.00 3.54 C ATOM 498 O GLY A 36 12.054 -9.145 10.879 1.00 3.30 O ATOM 0 H GLY A 36 14.627 -9.235 7.449 1.00 3.31 H new ATOM 0 HA2 GLY A 36 13.472 -10.852 9.462 1.00 14.24 H new ATOM 0 HA3 GLY A 36 14.545 -9.483 9.679 1.00 14.24 H new ATOM 502 N LEU A 37 11.940 -8.093 8.893 1.00 33.21 N ATOM 503 CA LEU A 37 10.824 -7.239 9.286 1.00 22.21 C ATOM 504 C LEU A 37 9.491 -7.876 8.908 1.00 70.43 C ATOM 505 O LEU A 37 8.492 -7.714 9.609 1.00 14.21 O ATOM 506 CB LEU A 37 10.951 -5.865 8.626 1.00 22.03 C ATOM 507 CG LEU A 37 11.785 -4.831 9.384 1.00 64.33 C ATOM 508 CD1 LEU A 37 13.251 -4.938 8.992 1.00 1.15 C ATOM 509 CD2 LEU A 37 11.262 -3.427 9.120 1.00 11.13 C ATOM 0 H LEU A 37 12.269 -7.945 7.939 1.00 33.21 H new ATOM 0 HA LEU A 37 10.854 -7.119 10.369 1.00 22.21 H new ATOM 0 HB2 LEU A 37 11.387 -5.999 7.636 1.00 22.03 H new ATOM 0 HB3 LEU A 37 9.950 -5.459 8.482 1.00 22.03 H new ATOM 0 HG LEU A 37 11.699 -5.034 10.451 1.00 64.33 H new ATOM 0 HD11 LEU A 37 13.830 -4.195 9.541 1.00 1.15 H new ATOM 0 HD12 LEU A 37 13.620 -5.935 9.232 1.00 1.15 H new ATOM 0 HD13 LEU A 37 13.355 -4.761 7.922 1.00 1.15 H new ATOM 0 HD21 LEU A 37 11.867 -2.704 9.667 1.00 11.13 H new ATOM 0 HD22 LEU A 37 11.318 -3.213 8.053 1.00 11.13 H new ATOM 0 HD23 LEU A 37 10.226 -3.357 9.451 1.00 11.13 H new ATOM 521 N LEU A 38 9.483 -8.604 7.796 1.00 3.40 N ATOM 522 CA LEU A 38 8.273 -9.268 7.325 1.00 61.21 C ATOM 523 C LEU A 38 8.160 -10.672 7.910 1.00 60.32 C ATOM 524 O LEU A 38 7.071 -11.239 7.984 1.00 73.21 O ATOM 525 CB LEU A 38 8.268 -9.338 5.797 1.00 52.12 C ATOM 526 CG LEU A 38 9.423 -10.108 5.156 1.00 2.11 C ATOM 527 CD1 LEU A 38 9.112 -11.596 5.109 1.00 51.31 C ATOM 528 CD2 LEU A 38 9.709 -9.576 3.759 1.00 34.31 C ATOM 0 H LEU A 38 10.301 -8.749 7.204 1.00 3.40 H new ATOM 0 HA LEU A 38 7.415 -8.685 7.659 1.00 61.21 H new ATOM 0 HB2 LEU A 38 7.332 -9.795 5.477 1.00 52.12 H new ATOM 0 HB3 LEU A 38 8.275 -8.320 5.407 1.00 52.12 H new ATOM 0 HG LEU A 38 10.314 -9.963 5.767 1.00 2.11 H new ATOM 0 HD11 LEU A 38 9.945 -12.128 4.650 1.00 51.31 H new ATOM 0 HD12 LEU A 38 8.959 -11.968 6.122 1.00 51.31 H new ATOM 0 HD13 LEU A 38 8.209 -11.761 4.522 1.00 51.31 H new ATOM 0 HD21 LEU A 38 10.534 -10.136 3.318 1.00 34.31 H new ATOM 0 HD22 LEU A 38 8.821 -9.689 3.138 1.00 34.31 H new ATOM 0 HD23 LEU A 38 9.978 -8.521 3.819 1.00 34.31 H new ATOM 540 N GLY A 39 9.294 -11.228 8.326 1.00 2.44 N ATOM 541 CA GLY A 39 9.300 -12.560 8.902 1.00 43.05 C ATOM 542 C GLY A 39 8.295 -12.711 10.026 1.00 50.30 C ATOM 543 O GLY A 39 7.797 -13.807 10.281 1.00 33.30 O ATOM 0 H GLY A 39 10.209 -10.780 8.274 1.00 2.44 H new ATOM 0 HA2 GLY A 39 9.081 -13.290 8.123 1.00 43.05 H new ATOM 0 HA3 GLY A 39 10.298 -12.785 9.279 1.00 43.05 H new ATOM 547 N LYS A 40 7.996 -11.607 10.702 1.00 4.24 N ATOM 548 CA LYS A 40 7.044 -11.619 11.807 1.00 64.43 C ATOM 549 C LYS A 40 5.627 -11.361 11.306 1.00 31.40 C ATOM 550 O LYS A 40 4.651 -11.785 11.928 1.00 43.43 O ATOM 551 CB LYS A 40 7.428 -10.567 12.850 1.00 73.13 C ATOM 552 CG LYS A 40 7.203 -9.139 12.384 1.00 72.01 C ATOM 553 CD LYS A 40 7.480 -8.140 13.495 1.00 74.01 C ATOM 554 CE LYS A 40 8.943 -8.159 13.909 1.00 11.24 C ATOM 555 NZ LYS A 40 9.264 -7.058 14.860 1.00 63.40 N ATOM 0 H LYS A 40 8.400 -10.691 10.504 1.00 4.24 H new ATOM 0 HA LYS A 40 7.073 -12.606 12.269 1.00 64.43 H new ATOM 0 HB2 LYS A 40 6.850 -10.740 13.758 1.00 73.13 H new ATOM 0 HB3 LYS A 40 8.478 -10.694 13.112 1.00 73.13 H new ATOM 0 HG2 LYS A 40 7.850 -8.927 11.533 1.00 72.01 H new ATOM 0 HG3 LYS A 40 6.175 -9.025 12.039 1.00 72.01 H new ATOM 0 HD2 LYS A 40 7.208 -7.139 13.161 1.00 74.01 H new ATOM 0 HD3 LYS A 40 6.854 -8.370 14.357 1.00 74.01 H new ATOM 0 HE2 LYS A 40 9.177 -9.118 14.371 1.00 11.24 H new ATOM 0 HE3 LYS A 40 9.572 -8.069 13.024 1.00 11.24 H new ATOM 0 HZ1 LYS A 40 10.270 -7.105 15.118 1.00 63.40 H new ATOM 0 HZ2 LYS A 40 9.064 -6.142 14.410 1.00 63.40 H new ATOM 0 HZ3 LYS A 40 8.682 -7.158 15.716 1.00 63.40 H new ATOM 569 N LEU A 41 5.520 -10.667 10.179 1.00 52.50 N ATOM 570 CA LEU A 41 4.221 -10.354 9.593 1.00 12.55 C ATOM 571 C LEU A 41 3.627 -11.576 8.900 1.00 1.25 C ATOM 572 O LEU A 41 2.419 -11.805 8.951 1.00 55.03 O ATOM 573 CB LEU A 41 4.353 -9.202 8.596 1.00 42.51 C ATOM 574 CG LEU A 41 4.139 -7.797 9.160 1.00 12.34 C ATOM 575 CD1 LEU A 41 4.809 -6.758 8.275 1.00 1.30 C ATOM 576 CD2 LEU A 41 2.653 -7.500 9.303 1.00 61.31 C ATOM 0 H LEU A 41 6.317 -10.310 9.652 1.00 52.50 H new ATOM 0 HA LEU A 41 3.550 -10.054 10.398 1.00 12.55 H new ATOM 0 HB2 LEU A 41 5.347 -9.245 8.151 1.00 42.51 H new ATOM 0 HB3 LEU A 41 3.636 -9.361 7.791 1.00 42.51 H new ATOM 0 HG LEU A 41 4.595 -7.750 10.149 1.00 12.34 H new ATOM 0 HD11 LEU A 41 4.646 -5.765 8.693 1.00 1.30 H new ATOM 0 HD12 LEU A 41 5.879 -6.959 8.224 1.00 1.30 H new ATOM 0 HD13 LEU A 41 4.383 -6.805 7.273 1.00 1.30 H new ATOM 0 HD21 LEU A 41 2.520 -6.496 9.706 1.00 61.31 H new ATOM 0 HD22 LEU A 41 2.173 -7.566 8.327 1.00 61.31 H new ATOM 0 HD23 LEU A 41 2.200 -8.225 9.979 1.00 61.31 H new ATOM 588 N PHE A 42 4.485 -12.359 8.256 1.00 44.05 N ATOM 589 CA PHE A 42 4.046 -13.559 7.553 1.00 23.13 C ATOM 590 C PHE A 42 4.461 -14.816 8.312 1.00 22.04 C ATOM 591 O PHE A 42 3.619 -15.547 8.832 1.00 22.11 O ATOM 592 CB PHE A 42 4.628 -13.589 6.138 1.00 35.22 C ATOM 593 CG PHE A 42 4.225 -12.410 5.299 1.00 35.15 C ATOM 594 CD1 PHE A 42 3.229 -12.531 4.344 1.00 72.14 C ATOM 595 CD2 PHE A 42 4.842 -11.181 5.467 1.00 52.04 C ATOM 596 CE1 PHE A 42 2.855 -11.448 3.570 1.00 3.03 C ATOM 597 CE2 PHE A 42 4.472 -10.094 4.697 1.00 62.43 C ATOM 598 CZ PHE A 42 3.479 -10.228 3.747 1.00 73.34 C ATOM 0 H PHE A 42 5.489 -12.184 8.206 1.00 44.05 H new ATOM 0 HA PHE A 42 2.958 -13.536 7.490 1.00 23.13 H new ATOM 0 HB2 PHE A 42 5.716 -13.625 6.202 1.00 35.22 H new ATOM 0 HB3 PHE A 42 4.308 -14.505 5.641 1.00 35.22 H new ATOM 0 HD1 PHE A 42 2.739 -13.483 4.202 1.00 72.14 H new ATOM 0 HD2 PHE A 42 5.620 -11.071 6.207 1.00 52.04 H new ATOM 0 HE1 PHE A 42 2.077 -11.555 2.829 1.00 3.03 H new ATOM 0 HE2 PHE A 42 4.959 -9.141 4.838 1.00 62.43 H new ATOM 0 HZ PHE A 42 3.190 -9.380 3.143 1.00 73.34 H new ATOM 608 N GLY A 43 5.767 -15.061 8.371 1.00 11.13 N ATOM 609 CA GLY A 43 6.272 -16.230 9.068 1.00 52.33 C ATOM 610 C GLY A 43 6.901 -17.238 8.127 1.00 31.20 C ATOM 611 O GLY A 43 6.693 -18.444 8.268 1.00 11.52 O ATOM 0 H GLY A 43 6.484 -14.471 7.949 1.00 11.13 H new ATOM 0 HA2 GLY A 43 7.010 -15.918 9.807 1.00 52.33 H new ATOM 0 HA3 GLY A 43 5.456 -16.705 9.612 1.00 52.33 H new ATOM 615 N PHE A 44 7.671 -16.745 7.163 1.00 63.41 N ATOM 616 CA PHE A 44 8.331 -17.612 6.193 1.00 33.11 C ATOM 617 C PHE A 44 9.346 -18.521 6.878 1.00 25.35 C ATOM 618 O PHE A 44 10.385 -18.850 6.306 1.00 33.21 O ATOM 619 CB PHE A 44 9.024 -16.774 5.117 1.00 71.01 C ATOM 620 CG PHE A 44 8.075 -15.951 4.294 1.00 14.43 C ATOM 621 CD1 PHE A 44 6.957 -16.530 3.716 1.00 53.52 C ATOM 622 CD2 PHE A 44 8.301 -14.597 4.099 1.00 35.52 C ATOM 623 CE1 PHE A 44 6.081 -15.775 2.959 1.00 52.44 C ATOM 624 CE2 PHE A 44 7.428 -13.837 3.343 1.00 20.54 C ATOM 625 CZ PHE A 44 6.318 -14.427 2.771 1.00 15.14 C ATOM 0 H PHE A 44 7.854 -15.750 7.032 1.00 63.41 H new ATOM 0 HA PHE A 44 7.570 -18.236 5.724 1.00 33.11 H new ATOM 0 HB2 PHE A 44 9.747 -16.112 5.593 1.00 71.01 H new ATOM 0 HB3 PHE A 44 9.584 -17.436 4.457 1.00 71.01 H new ATOM 0 HD1 PHE A 44 6.768 -17.584 3.859 1.00 53.52 H new ATOM 0 HD2 PHE A 44 9.168 -14.131 4.543 1.00 35.52 H new ATOM 0 HE1 PHE A 44 5.212 -16.238 2.515 1.00 52.44 H new ATOM 0 HE2 PHE A 44 7.614 -12.783 3.200 1.00 20.54 H new ATOM 0 HZ PHE A 44 5.636 -13.836 2.178 1.00 15.14 H new TER 635 PHE A 44