USER MOD reduce.3.24.130724 H: found=0, std=0, add=639, rem=0, adj=16 USER MOD reduce.3.24.130724 removed 639 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 GLY N :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 2 TYR OH : rot 180:sc= 0 USER MOD Single : A 11 GLN : amide:sc= -4.14! C(o=-4.1!,f=-11!) USER MOD Single : A 13 TYR OH : rot -15:sc= -0.127 USER MOD Single : A 16 LYS NZ :NH3+ -169:sc= 0 (180deg=-0.15) USER MOD Single : A 24 SER OG : rot 180:sc= 0 USER MOD Single : A 25 THR OG1 : rot 180:sc= 0 USER MOD Single : B 1 GLY N :NH3+ -115:sc= 0.0978 (180deg=0) USER MOD Single : B 2 TYR OH : rot -142:sc= 0.102 USER MOD Single : B 11 GLN : amide:sc= -0.627 K(o=-0.63,f=-2.6) USER MOD Single : B 13 TYR OH : rot 180:sc= 0 USER MOD Single : B 16 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : B 24 SER OG : rot 180:sc= 0.0967 USER MOD Single : B 25 THR OG1 : rot 180:sc= 0 USER MOD Single : C 1 GLY N :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : C 2 TYR OH : rot -138:sc= 0.0703 USER MOD Single : C 11 GLN :FLIP amide:sc= -1.83! C(o=-3.1!,f=-1.8!) USER MOD Single : C 13 TYR OH : rot 180:sc= 0 USER MOD Single : C 16 LYS NZ :NH3+ -157:sc= 0.165 (180deg=0.00227) USER MOD Single : C 24 SER OG : rot 180:sc= 0 USER MOD Single : C 25 THR OG1 : rot 180:sc= 0 USER MOD ----------------------------------------------------------------- ATOM 1 N GLY A 1 126.896 -4.305 -14.738 1.00 0.00 N ATOM 2 CA GLY A 1 127.580 -5.110 -13.685 1.00 0.00 C ATOM 3 C GLY A 1 127.534 -4.447 -12.325 1.00 0.00 C ATOM 4 O GLY A 1 128.566 -4.041 -11.794 1.00 0.00 O ATOM 0 H1 GLY A 1 126.956 -4.803 -15.649 1.00 0.00 H new ATOM 0 H2 GLY A 1 125.897 -4.174 -14.480 1.00 0.00 H new ATOM 0 H3 GLY A 1 127.357 -3.377 -14.820 1.00 0.00 H new ATOM 0 HA2 GLY A 1 127.112 -6.092 -13.622 1.00 0.00 H new ATOM 0 HA3 GLY A 1 128.619 -5.270 -13.972 1.00 0.00 H new ATOM 10 N TYR A 2 126.333 -4.329 -11.766 1.00 0.00 N ATOM 11 CA TYR A 2 126.150 -3.704 -10.464 1.00 0.00 C ATOM 12 C TYR A 2 126.025 -4.735 -9.339 1.00 0.00 C ATOM 13 O TYR A 2 125.802 -5.922 -9.581 1.00 0.00 O ATOM 14 CB TYR A 2 124.903 -2.830 -10.464 1.00 0.00 C ATOM 15 CG TYR A 2 124.644 -2.050 -11.737 1.00 0.00 C ATOM 16 CD1 TYR A 2 125.587 -1.174 -12.257 1.00 0.00 C ATOM 17 CD2 TYR A 2 123.439 -2.185 -12.411 1.00 0.00 C ATOM 18 CE1 TYR A 2 125.340 -0.460 -13.413 1.00 0.00 C ATOM 19 CE2 TYR A 2 123.183 -1.474 -13.567 1.00 0.00 C ATOM 20 CZ TYR A 2 124.137 -0.614 -14.065 1.00 0.00 C ATOM 21 OH TYR A 2 123.886 0.097 -15.217 1.00 0.00 O ATOM 0 H TYR A 2 125.470 -4.660 -12.198 1.00 0.00 H new ATOM 0 HA TYR A 2 127.038 -3.098 -10.281 1.00 0.00 H new ATOM 0 HB2 TYR A 2 124.038 -3.464 -10.266 1.00 0.00 H new ATOM 0 HB3 TYR A 2 124.977 -2.124 -9.637 1.00 0.00 H new ATOM 0 HD1 TYR A 2 126.531 -1.049 -11.748 1.00 0.00 H new ATOM 0 HD2 TYR A 2 122.688 -2.858 -12.025 1.00 0.00 H new ATOM 0 HE1 TYR A 2 126.087 0.216 -13.804 1.00 0.00 H new ATOM 0 HE2 TYR A 2 122.239 -1.592 -14.078 1.00 0.00 H new ATOM 0 HH TYR A 2 122.993 -0.128 -15.552 1.00 0.00 H new ATOM 31 N ILE A 3 126.122 -4.249 -8.101 1.00 0.00 N ATOM 32 CA ILE A 3 125.962 -5.088 -6.908 1.00 0.00 C ATOM 33 C ILE A 3 124.515 -5.067 -6.477 1.00 0.00 C ATOM 34 O ILE A 3 123.785 -4.130 -6.803 1.00 0.00 O ATOM 35 CB ILE A 3 126.726 -4.609 -5.663 1.00 0.00 C ATOM 36 CG1 ILE A 3 126.635 -3.107 -5.512 1.00 0.00 C ATOM 37 CG2 ILE A 3 128.168 -5.056 -5.627 1.00 0.00 C ATOM 38 CD1 ILE A 3 127.404 -2.583 -4.323 1.00 0.00 C ATOM 0 H ILE A 3 126.313 -3.268 -7.895 1.00 0.00 H new ATOM 0 HA ILE A 3 126.344 -6.062 -7.214 1.00 0.00 H new ATOM 0 HB ILE A 3 126.234 -5.086 -4.815 1.00 0.00 H new ATOM 0 HG12 ILE A 3 127.012 -2.633 -6.418 1.00 0.00 H new ATOM 0 HG13 ILE A 3 125.588 -2.820 -5.415 1.00 0.00 H new ATOM 0 HG21 ILE A 3 128.643 -4.681 -4.720 1.00 0.00 H new ATOM 0 HG22 ILE A 3 128.212 -6.145 -5.635 1.00 0.00 H new ATOM 0 HG23 ILE A 3 128.692 -4.665 -6.499 1.00 0.00 H new ATOM 0 HD11 ILE A 3 127.299 -1.499 -4.270 1.00 0.00 H new ATOM 0 HD12 ILE A 3 127.011 -3.030 -3.410 1.00 0.00 H new ATOM 0 HD13 ILE A 3 128.458 -2.840 -4.429 1.00 0.00 H new ATOM 50 N PRO A 4 124.076 -6.056 -5.698 1.00 0.00 N ATOM 51 CA PRO A 4 122.727 -6.070 -5.203 1.00 0.00 C ATOM 52 C PRO A 4 122.597 -5.234 -3.921 1.00 0.00 C ATOM 53 O PRO A 4 123.484 -5.223 -3.071 1.00 0.00 O ATOM 54 CB PRO A 4 122.445 -7.551 -4.975 1.00 0.00 C ATOM 55 CG PRO A 4 123.790 -8.182 -4.745 1.00 0.00 C ATOM 56 CD PRO A 4 124.851 -7.198 -5.201 1.00 0.00 C ATOM 0 HA PRO A 4 122.009 -5.622 -5.890 1.00 0.00 H new ATOM 0 HB2 PRO A 4 121.790 -7.699 -4.117 1.00 0.00 H new ATOM 0 HB3 PRO A 4 121.946 -7.993 -5.837 1.00 0.00 H new ATOM 0 HG2 PRO A 4 123.922 -8.424 -3.691 1.00 0.00 H new ATOM 0 HG3 PRO A 4 123.873 -9.117 -5.300 1.00 0.00 H new ATOM 0 HD2 PRO A 4 125.508 -6.909 -4.381 1.00 0.00 H new ATOM 0 HD3 PRO A 4 125.483 -7.623 -5.981 1.00 0.00 H new ATOM 64 N GLU A 5 121.484 -4.502 -3.846 1.00 0.00 N ATOM 65 CA GLU A 5 121.167 -3.588 -2.744 1.00 0.00 C ATOM 66 C GLU A 5 121.367 -4.201 -1.352 1.00 0.00 C ATOM 67 O GLU A 5 121.078 -5.374 -1.120 1.00 0.00 O ATOM 68 CB GLU A 5 119.723 -3.091 -2.911 1.00 0.00 C ATOM 69 CG GLU A 5 119.133 -2.427 -1.674 1.00 0.00 C ATOM 70 CD GLU A 5 118.925 -0.930 -1.830 1.00 0.00 C ATOM 71 OE1 GLU A 5 118.080 -0.528 -2.658 1.00 0.00 O ATOM 72 OE2 GLU A 5 119.612 -0.159 -1.116 1.00 0.00 O ATOM 0 H GLU A 5 120.761 -4.528 -4.565 1.00 0.00 H new ATOM 0 HA GLU A 5 121.871 -2.758 -2.800 1.00 0.00 H new ATOM 0 HB2 GLU A 5 119.690 -2.382 -3.738 1.00 0.00 H new ATOM 0 HB3 GLU A 5 119.092 -3.935 -3.190 1.00 0.00 H new ATOM 0 HG2 GLU A 5 118.177 -2.896 -1.441 1.00 0.00 H new ATOM 0 HG3 GLU A 5 119.792 -2.608 -0.825 1.00 0.00 H new ATOM 79 N ALA A 6 121.847 -3.358 -0.428 1.00 0.00 N ATOM 80 CA ALA A 6 122.075 -3.754 0.961 1.00 0.00 C ATOM 81 C ALA A 6 120.783 -3.643 1.773 1.00 0.00 C ATOM 82 O ALA A 6 119.742 -3.240 1.255 1.00 0.00 O ATOM 83 CB ALA A 6 123.187 -2.903 1.586 1.00 0.00 C ATOM 0 H ALA A 6 122.086 -2.386 -0.625 1.00 0.00 H new ATOM 0 HA ALA A 6 122.394 -4.796 0.974 1.00 0.00 H new ATOM 0 HB1 ALA A 6 123.344 -3.211 2.620 1.00 0.00 H new ATOM 0 HB2 ALA A 6 124.110 -3.040 1.023 1.00 0.00 H new ATOM 0 HB3 ALA A 6 122.899 -1.852 1.560 1.00 0.00 H new ATOM 89 N PRO A 7 120.836 -4.023 3.057 1.00 0.00 N ATOM 90 CA PRO A 7 119.681 -3.995 3.959 1.00 0.00 C ATOM 91 C PRO A 7 119.303 -2.593 4.445 1.00 0.00 C ATOM 92 O PRO A 7 120.142 -1.694 4.516 1.00 0.00 O ATOM 93 CB PRO A 7 120.139 -4.845 5.159 1.00 0.00 C ATOM 94 CG PRO A 7 121.473 -5.414 4.797 1.00 0.00 C ATOM 95 CD PRO A 7 122.034 -4.525 3.733 1.00 0.00 C ATOM 0 HA PRO A 7 118.790 -4.361 3.448 1.00 0.00 H new ATOM 0 HB2 PRO A 7 120.209 -4.236 6.060 1.00 0.00 H new ATOM 0 HB3 PRO A 7 119.422 -5.640 5.366 1.00 0.00 H new ATOM 0 HG2 PRO A 7 122.131 -5.444 5.665 1.00 0.00 H new ATOM 0 HG3 PRO A 7 121.374 -6.438 4.436 1.00 0.00 H new ATOM 0 HD2 PRO A 7 122.628 -3.715 4.156 1.00 0.00 H new ATOM 0 HD3 PRO A 7 122.683 -5.073 3.050 1.00 0.00 H new ATOM 103 N ARG A 8 118.031 -2.437 4.813 1.00 0.00 N ATOM 104 CA ARG A 8 117.496 -1.179 5.339 1.00 0.00 C ATOM 105 C ARG A 8 117.306 -1.317 6.835 1.00 0.00 C ATOM 106 O ARG A 8 116.202 -1.569 7.319 1.00 0.00 O ATOM 107 CB ARG A 8 116.159 -0.859 4.700 1.00 0.00 C ATOM 108 CG ARG A 8 116.216 0.171 3.579 1.00 0.00 C ATOM 109 CD ARG A 8 116.523 -0.448 2.225 1.00 0.00 C ATOM 110 NE ARG A 8 115.538 -0.076 1.205 1.00 0.00 N ATOM 111 CZ ARG A 8 115.170 1.179 0.932 1.00 0.00 C ATOM 112 NH1 ARG A 8 115.711 2.204 1.578 1.00 0.00 N ATOM 113 NH2 ARG A 8 114.261 1.411 -0.007 1.00 0.00 N ATOM 0 H ARG A 8 117.338 -3.183 4.755 1.00 0.00 H new ATOM 0 HA ARG A 8 118.195 -0.374 5.113 1.00 0.00 H new ATOM 0 HB2 ARG A 8 115.731 -1.781 4.306 1.00 0.00 H new ATOM 0 HB3 ARG A 8 115.480 -0.497 5.473 1.00 0.00 H new ATOM 0 HG2 ARG A 8 115.262 0.696 3.525 1.00 0.00 H new ATOM 0 HG3 ARG A 8 116.977 0.915 3.814 1.00 0.00 H new ATOM 0 HD2 ARG A 8 117.515 -0.133 1.901 1.00 0.00 H new ATOM 0 HD3 ARG A 8 116.549 -1.533 2.322 1.00 0.00 H new ATOM 0 HE ARG A 8 115.104 -0.826 0.667 1.00 0.00 H new ATOM 0 HH11 ARG A 8 116.418 2.039 2.294 1.00 0.00 H new ATOM 0 HH12 ARG A 8 115.420 3.156 1.358 1.00 0.00 H new ATOM 0 HH21 ARG A 8 113.845 0.632 -0.518 1.00 0.00 H new ATOM 0 HH22 ARG A 8 113.978 2.368 -0.218 1.00 0.00 H new ATOM 127 N ASP A 9 118.397 -1.178 7.554 1.00 0.00 N ATOM 128 CA ASP A 9 118.381 -1.310 9.001 1.00 0.00 C ATOM 129 C ASP A 9 118.954 -0.087 9.695 1.00 0.00 C ATOM 130 O ASP A 9 119.100 -0.078 10.917 1.00 0.00 O ATOM 131 CB ASP A 9 119.223 -2.500 9.438 1.00 0.00 C ATOM 132 CG ASP A 9 120.325 -2.809 8.452 1.00 0.00 C ATOM 133 OD1 ASP A 9 121.409 -2.207 8.572 1.00 0.00 O ATOM 134 OD2 ASP A 9 120.100 -3.641 7.557 1.00 0.00 O ATOM 0 H ASP A 9 119.315 -0.972 7.160 1.00 0.00 H new ATOM 0 HA ASP A 9 117.335 -1.437 9.280 1.00 0.00 H new ATOM 0 HB2 ASP A 9 119.659 -2.296 10.416 1.00 0.00 H new ATOM 0 HB3 ASP A 9 118.583 -3.375 9.551 1.00 0.00 H new ATOM 139 N GLY A 10 119.317 0.919 8.927 1.00 0.00 N ATOM 140 CA GLY A 10 119.912 2.092 9.523 1.00 0.00 C ATOM 141 C GLY A 10 121.381 1.863 9.838 1.00 0.00 C ATOM 142 O GLY A 10 122.059 2.755 10.351 1.00 0.00 O ATOM 0 H GLY A 10 119.213 0.948 7.913 1.00 0.00 H new ATOM 0 HA2 GLY A 10 119.811 2.939 8.845 1.00 0.00 H new ATOM 0 HA3 GLY A 10 119.377 2.350 10.437 1.00 0.00 H new ATOM 146 N GLN A 11 121.876 0.662 9.520 1.00 0.00 N ATOM 147 CA GLN A 11 123.272 0.323 9.760 1.00 0.00 C ATOM 148 C GLN A 11 124.041 0.415 8.471 1.00 0.00 C ATOM 149 O GLN A 11 123.494 0.224 7.390 1.00 0.00 O ATOM 150 CB GLN A 11 123.423 -1.077 10.326 1.00 0.00 C ATOM 151 CG GLN A 11 123.964 -1.122 11.742 1.00 0.00 C ATOM 152 CD GLN A 11 123.517 -2.359 12.501 1.00 0.00 C ATOM 153 OE1 GLN A 11 123.756 -3.489 12.082 1.00 0.00 O ATOM 154 NE2 GLN A 11 122.861 -2.146 13.627 1.00 0.00 N ATOM 0 H GLN A 11 121.327 -0.086 9.097 1.00 0.00 H new ATOM 0 HA GLN A 11 123.663 1.031 10.491 1.00 0.00 H new ATOM 0 HB2 GLN A 11 122.452 -1.572 10.305 1.00 0.00 H new ATOM 0 HB3 GLN A 11 124.087 -1.649 9.677 1.00 0.00 H new ATOM 0 HG2 GLN A 11 125.053 -1.093 11.712 1.00 0.00 H new ATOM 0 HG3 GLN A 11 123.637 -0.232 12.280 1.00 0.00 H new ATOM 0 HE21 GLN A 11 122.683 -1.192 13.941 1.00 0.00 H new ATOM 0 HE22 GLN A 11 122.533 -2.936 14.183 1.00 0.00 H new ATOM 163 N ALA A 12 125.305 0.706 8.596 1.00 0.00 N ATOM 164 CA ALA A 12 126.168 0.853 7.445 1.00 0.00 C ATOM 165 C ALA A 12 126.833 -0.449 7.086 1.00 0.00 C ATOM 166 O ALA A 12 127.267 -1.209 7.949 1.00 0.00 O ATOM 167 CB ALA A 12 127.198 1.940 7.707 1.00 0.00 C ATOM 0 H ALA A 12 125.770 0.849 9.492 1.00 0.00 H new ATOM 0 HA ALA A 12 125.557 1.147 6.592 1.00 0.00 H new ATOM 0 HB1 ALA A 12 127.845 2.046 6.836 1.00 0.00 H new ATOM 0 HB2 ALA A 12 126.689 2.885 7.898 1.00 0.00 H new ATOM 0 HB3 ALA A 12 127.799 1.670 8.575 1.00 0.00 H new ATOM 173 N TYR A 13 126.878 -0.707 5.794 1.00 0.00 N ATOM 174 CA TYR A 13 127.455 -1.929 5.282 1.00 0.00 C ATOM 175 C TYR A 13 128.645 -1.664 4.384 1.00 0.00 C ATOM 176 O TYR A 13 128.778 -0.602 3.776 1.00 0.00 O ATOM 177 CB TYR A 13 126.399 -2.722 4.525 1.00 0.00 C ATOM 178 CG TYR A 13 125.471 -3.399 5.486 1.00 0.00 C ATOM 179 CD1 TYR A 13 125.925 -4.435 6.267 1.00 0.00 C ATOM 180 CD2 TYR A 13 124.184 -2.966 5.659 1.00 0.00 C ATOM 181 CE1 TYR A 13 125.118 -5.033 7.212 1.00 0.00 C ATOM 182 CE2 TYR A 13 123.360 -3.549 6.600 1.00 0.00 C ATOM 183 CZ TYR A 13 123.836 -4.578 7.382 1.00 0.00 C ATOM 184 OH TYR A 13 123.020 -5.161 8.323 1.00 0.00 O ATOM 0 H TYR A 13 126.518 -0.079 5.076 1.00 0.00 H new ATOM 0 HA TYR A 13 127.811 -2.508 6.134 1.00 0.00 H new ATOM 0 HB2 TYR A 13 125.835 -2.057 3.871 1.00 0.00 H new ATOM 0 HB3 TYR A 13 126.879 -3.465 3.888 1.00 0.00 H new ATOM 0 HD1 TYR A 13 126.937 -4.789 6.138 1.00 0.00 H new ATOM 0 HD2 TYR A 13 123.808 -2.157 5.051 1.00 0.00 H new ATOM 0 HE1 TYR A 13 125.492 -5.850 7.811 1.00 0.00 H new ATOM 0 HE2 TYR A 13 122.345 -3.200 6.723 1.00 0.00 H new ATOM 0 HH TYR A 13 123.406 -6.016 8.606 1.00 0.00 H new ATOM 194 N VAL A 14 129.484 -2.666 4.305 1.00 0.00 N ATOM 195 CA VAL A 14 130.674 -2.648 3.489 1.00 0.00 C ATOM 196 C VAL A 14 130.387 -3.515 2.289 1.00 0.00 C ATOM 197 O VAL A 14 129.616 -4.470 2.403 1.00 0.00 O ATOM 198 CB VAL A 14 131.873 -3.241 4.293 1.00 0.00 C ATOM 199 CG1 VAL A 14 131.553 -3.214 5.781 1.00 0.00 C ATOM 200 CG2 VAL A 14 132.136 -4.676 3.840 1.00 0.00 C ATOM 0 H VAL A 14 129.356 -3.538 4.818 1.00 0.00 H new ATOM 0 HA VAL A 14 130.933 -1.632 3.190 1.00 0.00 H new ATOM 0 HB VAL A 14 132.765 -2.642 4.110 1.00 0.00 H new ATOM 0 HG11 VAL A 14 132.391 -3.628 6.341 1.00 0.00 H new ATOM 0 HG12 VAL A 14 131.379 -2.186 6.097 1.00 0.00 H new ATOM 0 HG13 VAL A 14 130.660 -3.809 5.972 1.00 0.00 H new ATOM 0 HG21 VAL A 14 132.974 -5.088 4.403 1.00 0.00 H new ATOM 0 HG22 VAL A 14 131.247 -5.282 4.017 1.00 0.00 H new ATOM 0 HG23 VAL A 14 132.375 -4.684 2.777 1.00 0.00 H new ATOM 210 N ARG A 15 130.983 -3.233 1.152 1.00 0.00 N ATOM 211 CA ARG A 15 130.725 -4.068 0.008 1.00 0.00 C ATOM 212 C ARG A 15 131.941 -4.942 -0.185 1.00 0.00 C ATOM 213 O ARG A 15 132.981 -4.526 -0.696 1.00 0.00 O ATOM 214 CB ARG A 15 130.355 -3.242 -1.242 1.00 0.00 C ATOM 215 CG ARG A 15 129.260 -3.809 -2.128 1.00 0.00 C ATOM 216 CD ARG A 15 129.073 -5.303 -2.016 1.00 0.00 C ATOM 217 NE ARG A 15 129.912 -6.039 -2.958 1.00 0.00 N ATOM 218 CZ ARG A 15 129.466 -6.982 -3.784 1.00 0.00 C ATOM 219 NH1 ARG A 15 128.174 -7.307 -3.805 1.00 0.00 N ATOM 220 NH2 ARG A 15 130.318 -7.598 -4.593 1.00 0.00 N ATOM 0 H ARG A 15 131.628 -2.458 0.999 1.00 0.00 H new ATOM 0 HA ARG A 15 129.851 -4.697 0.176 1.00 0.00 H new ATOM 0 HB2 ARG A 15 130.050 -2.248 -0.916 1.00 0.00 H new ATOM 0 HB3 ARG A 15 131.253 -3.117 -1.847 1.00 0.00 H new ATOM 0 HG2 ARG A 15 128.319 -3.318 -1.879 1.00 0.00 H new ATOM 0 HG3 ARG A 15 129.485 -3.561 -3.165 1.00 0.00 H new ATOM 0 HD2 ARG A 15 129.306 -5.621 -1.000 1.00 0.00 H new ATOM 0 HD3 ARG A 15 128.027 -5.550 -2.195 1.00 0.00 H new ATOM 0 HE ARG A 15 130.907 -5.815 -2.984 1.00 0.00 H new ATOM 0 HH11 ARG A 15 127.518 -6.832 -3.185 1.00 0.00 H new ATOM 0 HH12 ARG A 15 127.841 -8.031 -4.441 1.00 0.00 H new ATOM 0 HH21 ARG A 15 131.307 -7.348 -4.579 1.00 0.00 H new ATOM 0 HH22 ARG A 15 129.984 -8.322 -5.229 1.00 0.00 H new ATOM 234 N LYS A 16 131.780 -6.168 0.314 1.00 0.00 N ATOM 235 CA LYS A 16 132.835 -7.168 0.307 1.00 0.00 C ATOM 236 C LYS A 16 132.349 -8.549 -0.113 1.00 0.00 C ATOM 237 O LYS A 16 131.455 -9.115 0.515 1.00 0.00 O ATOM 238 CB LYS A 16 133.448 -7.232 1.714 1.00 0.00 C ATOM 239 CG LYS A 16 133.695 -8.630 2.265 1.00 0.00 C ATOM 240 CD LYS A 16 134.838 -8.597 3.264 1.00 0.00 C ATOM 241 CE LYS A 16 134.993 -9.911 4.001 1.00 0.00 C ATOM 242 NZ LYS A 16 134.124 -9.977 5.208 1.00 0.00 N ATOM 0 H LYS A 16 130.909 -6.491 0.735 1.00 0.00 H new ATOM 0 HA LYS A 16 133.577 -6.869 -0.434 1.00 0.00 H new ATOM 0 HB2 LYS A 16 134.396 -6.694 1.702 1.00 0.00 H new ATOM 0 HB3 LYS A 16 132.789 -6.702 2.402 1.00 0.00 H new ATOM 0 HG2 LYS A 16 132.792 -9.006 2.745 1.00 0.00 H new ATOM 0 HG3 LYS A 16 133.932 -9.315 1.451 1.00 0.00 H new ATOM 0 HD2 LYS A 16 135.767 -8.363 2.743 1.00 0.00 H new ATOM 0 HD3 LYS A 16 134.666 -7.797 3.984 1.00 0.00 H new ATOM 0 HE2 LYS A 16 134.746 -10.734 3.331 1.00 0.00 H new ATOM 0 HE3 LYS A 16 136.034 -10.041 4.296 1.00 0.00 H new ATOM 0 HZ1 LYS A 16 134.391 -10.801 5.783 1.00 0.00 H new ATOM 0 HZ2 LYS A 16 134.243 -9.110 5.769 1.00 0.00 H new ATOM 0 HZ3 LYS A 16 133.130 -10.066 4.916 1.00 0.00 H new ATOM 256 N ASP A 17 132.994 -9.120 -1.113 1.00 0.00 N ATOM 257 CA ASP A 17 132.684 -10.475 -1.541 1.00 0.00 C ATOM 258 C ASP A 17 131.211 -10.687 -1.888 1.00 0.00 C ATOM 259 O ASP A 17 130.635 -11.722 -1.548 1.00 0.00 O ATOM 260 CB ASP A 17 133.099 -11.463 -0.449 1.00 0.00 C ATOM 261 CG ASP A 17 134.204 -12.397 -0.902 1.00 0.00 C ATOM 262 OD1 ASP A 17 135.020 -11.980 -1.751 1.00 0.00 O ATOM 263 OD2 ASP A 17 134.253 -13.543 -0.408 1.00 0.00 O ATOM 0 H ASP A 17 133.737 -8.668 -1.646 1.00 0.00 H new ATOM 0 HA ASP A 17 133.247 -10.648 -2.458 1.00 0.00 H new ATOM 0 HB2 ASP A 17 133.432 -10.910 0.429 1.00 0.00 H new ATOM 0 HB3 ASP A 17 132.232 -12.050 -0.146 1.00 0.00 H new ATOM 268 N GLY A 18 130.610 -9.746 -2.597 1.00 0.00 N ATOM 269 CA GLY A 18 129.228 -9.910 -3.002 1.00 0.00 C ATOM 270 C GLY A 18 128.202 -9.712 -1.894 1.00 0.00 C ATOM 271 O GLY A 18 127.020 -9.981 -2.113 1.00 0.00 O ATOM 0 H GLY A 18 131.049 -8.876 -2.899 1.00 0.00 H new ATOM 0 HA2 GLY A 18 129.014 -9.204 -3.804 1.00 0.00 H new ATOM 0 HA3 GLY A 18 129.103 -10.910 -3.417 1.00 0.00 H new ATOM 275 N GLU A 19 128.615 -9.280 -0.698 1.00 0.00 N ATOM 276 CA GLU A 19 127.654 -9.119 0.386 1.00 0.00 C ATOM 277 C GLU A 19 127.852 -7.826 1.144 1.00 0.00 C ATOM 278 O GLU A 19 128.927 -7.228 1.116 1.00 0.00 O ATOM 279 CB GLU A 19 127.762 -10.291 1.372 1.00 0.00 C ATOM 280 CG GLU A 19 129.014 -11.141 1.211 1.00 0.00 C ATOM 281 CD GLU A 19 129.474 -11.753 2.521 1.00 0.00 C ATOM 282 OE1 GLU A 19 128.907 -12.790 2.924 1.00 0.00 O ATOM 283 OE2 GLU A 19 130.403 -11.195 3.143 1.00 0.00 O ATOM 0 H GLU A 19 129.579 -9.043 -0.464 1.00 0.00 H new ATOM 0 HA GLU A 19 126.666 -9.098 -0.073 1.00 0.00 H new ATOM 0 HB2 GLU A 19 127.734 -9.898 2.388 1.00 0.00 H new ATOM 0 HB3 GLU A 19 126.887 -10.930 1.254 1.00 0.00 H new ATOM 0 HG2 GLU A 19 128.819 -11.936 0.491 1.00 0.00 H new ATOM 0 HG3 GLU A 19 129.815 -10.527 0.799 1.00 0.00 H new ATOM 290 N TRP A 20 126.815 -7.433 1.869 1.00 0.00 N ATOM 291 CA TRP A 20 126.882 -6.250 2.687 1.00 0.00 C ATOM 292 C TRP A 20 127.270 -6.652 4.083 1.00 0.00 C ATOM 293 O TRP A 20 126.527 -7.350 4.771 1.00 0.00 O ATOM 294 CB TRP A 20 125.565 -5.486 2.684 1.00 0.00 C ATOM 295 CG TRP A 20 125.281 -5.012 1.307 1.00 0.00 C ATOM 296 CD1 TRP A 20 124.376 -5.482 0.397 1.00 0.00 C ATOM 297 CD2 TRP A 20 126.008 -3.986 0.658 1.00 0.00 C ATOM 298 NE1 TRP A 20 124.493 -4.766 -0.780 1.00 0.00 N ATOM 299 CE2 TRP A 20 125.489 -3.850 -0.631 1.00 0.00 C ATOM 300 CE3 TRP A 20 127.052 -3.156 1.061 1.00 0.00 C ATOM 301 CZ2 TRP A 20 125.978 -2.923 -1.522 1.00 0.00 C ATOM 302 CZ3 TRP A 20 127.542 -2.241 0.174 1.00 0.00 C ATOM 303 CH2 TRP A 20 127.000 -2.127 -1.109 1.00 0.00 C ATOM 0 H TRP A 20 125.921 -7.922 1.902 1.00 0.00 H new ATOM 0 HA TRP A 20 127.633 -5.575 2.275 1.00 0.00 H new ATOM 0 HB2 TRP A 20 124.757 -6.128 3.035 1.00 0.00 H new ATOM 0 HB3 TRP A 20 125.620 -4.640 3.369 1.00 0.00 H new ATOM 0 HD1 TRP A 20 123.678 -6.288 0.570 1.00 0.00 H new ATOM 0 HE1 TRP A 20 123.928 -4.901 -1.619 1.00 0.00 H new ATOM 0 HE3 TRP A 20 127.466 -3.235 2.056 1.00 0.00 H new ATOM 0 HZ2 TRP A 20 125.564 -2.831 -2.515 1.00 0.00 H new ATOM 0 HZ3 TRP A 20 128.358 -1.598 0.467 1.00 0.00 H new ATOM 0 HH2 TRP A 20 127.402 -1.390 -1.788 1.00 0.00 H new ATOM 314 N VAL A 21 128.431 -6.204 4.502 1.00 0.00 N ATOM 315 CA VAL A 21 128.901 -6.519 5.830 1.00 0.00 C ATOM 316 C VAL A 21 128.806 -5.298 6.674 1.00 0.00 C ATOM 317 O VAL A 21 129.139 -4.195 6.257 1.00 0.00 O ATOM 318 CB VAL A 21 130.353 -7.017 5.899 1.00 0.00 C ATOM 319 CG1 VAL A 21 130.671 -7.490 7.310 1.00 0.00 C ATOM 320 CG2 VAL A 21 130.658 -8.134 4.911 1.00 0.00 C ATOM 0 H VAL A 21 129.062 -5.625 3.948 1.00 0.00 H new ATOM 0 HA VAL A 21 128.268 -7.334 6.181 1.00 0.00 H new ATOM 0 HB VAL A 21 130.982 -6.170 5.625 1.00 0.00 H new ATOM 0 HG11 VAL A 21 131.702 -7.842 7.352 1.00 0.00 H new ATOM 0 HG12 VAL A 21 130.541 -6.664 8.009 1.00 0.00 H new ATOM 0 HG13 VAL A 21 129.999 -8.304 7.581 1.00 0.00 H new ATOM 0 HG21 VAL A 21 131.700 -8.437 5.014 1.00 0.00 H new ATOM 0 HG22 VAL A 21 130.010 -8.987 5.115 1.00 0.00 H new ATOM 0 HG23 VAL A 21 130.482 -7.779 3.895 1.00 0.00 H new ATOM 330 N LEU A 22 128.338 -5.506 7.861 1.00 0.00 N ATOM 331 CA LEU A 22 128.176 -4.437 8.797 1.00 0.00 C ATOM 332 C LEU A 22 129.483 -3.680 8.965 1.00 0.00 C ATOM 333 O LEU A 22 130.514 -4.250 9.321 1.00 0.00 O ATOM 334 CB LEU A 22 127.699 -5.014 10.110 1.00 0.00 C ATOM 335 CG LEU A 22 126.643 -4.203 10.870 1.00 0.00 C ATOM 336 CD1 LEU A 22 127.237 -2.940 11.457 1.00 0.00 C ATOM 337 CD2 LEU A 22 125.476 -3.811 9.993 1.00 0.00 C ATOM 0 H LEU A 22 128.056 -6.422 8.212 1.00 0.00 H new ATOM 0 HA LEU A 22 127.435 -3.726 8.431 1.00 0.00 H new ATOM 0 HB2 LEU A 22 127.294 -6.008 9.919 1.00 0.00 H new ATOM 0 HB3 LEU A 22 128.564 -5.142 10.761 1.00 0.00 H new ATOM 0 HG LEU A 22 126.286 -4.856 11.666 1.00 0.00 H new ATOM 0 HD11 LEU A 22 126.463 -2.387 11.989 1.00 0.00 H new ATOM 0 HD12 LEU A 22 128.037 -3.202 12.149 1.00 0.00 H new ATOM 0 HD13 LEU A 22 127.639 -2.320 10.655 1.00 0.00 H new ATOM 0 HD21 LEU A 22 124.757 -3.239 10.579 1.00 0.00 H new ATOM 0 HD22 LEU A 22 125.833 -3.203 9.162 1.00 0.00 H new ATOM 0 HD23 LEU A 22 124.995 -4.709 9.605 1.00 0.00 H new ATOM 349 N LEU A 23 129.419 -2.391 8.700 1.00 0.00 N ATOM 350 CA LEU A 23 130.570 -1.514 8.804 1.00 0.00 C ATOM 351 C LEU A 23 131.172 -1.546 10.187 1.00 0.00 C ATOM 352 O LEU A 23 132.384 -1.418 10.356 1.00 0.00 O ATOM 353 CB LEU A 23 130.137 -0.098 8.517 1.00 0.00 C ATOM 354 CG LEU A 23 131.185 0.973 8.806 1.00 0.00 C ATOM 355 CD1 LEU A 23 132.072 1.272 7.617 1.00 0.00 C ATOM 356 CD2 LEU A 23 130.522 2.242 9.264 1.00 0.00 C ATOM 0 H LEU A 23 128.564 -1.919 8.405 1.00 0.00 H new ATOM 0 HA LEU A 23 131.316 -1.857 8.087 1.00 0.00 H new ATOM 0 HB2 LEU A 23 129.849 -0.029 7.468 1.00 0.00 H new ATOM 0 HB3 LEU A 23 129.246 0.119 9.107 1.00 0.00 H new ATOM 0 HG LEU A 23 131.822 0.573 9.595 1.00 0.00 H new ATOM 0 HD11 LEU A 23 132.795 2.041 7.887 1.00 0.00 H new ATOM 0 HD12 LEU A 23 132.600 0.366 7.320 1.00 0.00 H new ATOM 0 HD13 LEU A 23 131.461 1.625 6.786 1.00 0.00 H new ATOM 0 HD21 LEU A 23 131.282 2.997 9.466 1.00 0.00 H new ATOM 0 HD22 LEU A 23 129.850 2.603 8.485 1.00 0.00 H new ATOM 0 HD23 LEU A 23 129.953 2.047 10.173 1.00 0.00 H new ATOM 368 N SER A 24 130.314 -1.665 11.177 1.00 0.00 N ATOM 369 CA SER A 24 130.747 -1.655 12.566 1.00 0.00 C ATOM 370 C SER A 24 131.684 -2.821 12.833 1.00 0.00 C ATOM 371 O SER A 24 132.463 -2.792 13.787 1.00 0.00 O ATOM 372 CB SER A 24 129.525 -1.746 13.485 1.00 0.00 C ATOM 373 OG SER A 24 128.597 -0.710 13.208 1.00 0.00 O ATOM 0 H SER A 24 129.308 -1.770 11.049 1.00 0.00 H new ATOM 0 HA SER A 24 131.281 -0.726 12.765 1.00 0.00 H new ATOM 0 HB2 SER A 24 129.042 -2.715 13.357 1.00 0.00 H new ATOM 0 HB3 SER A 24 129.844 -1.684 14.526 1.00 0.00 H new ATOM 0 HG SER A 24 127.826 -0.793 13.807 1.00 0.00 H new ATOM 379 N THR A 25 131.665 -3.811 11.950 1.00 0.00 N ATOM 380 CA THR A 25 132.587 -4.920 12.084 1.00 0.00 C ATOM 381 C THR A 25 133.993 -4.432 11.717 1.00 0.00 C ATOM 382 O THR A 25 134.998 -5.067 12.035 1.00 0.00 O ATOM 383 CB THR A 25 132.177 -6.083 11.173 1.00 0.00 C ATOM 384 OG1 THR A 25 130.967 -6.663 11.623 1.00 0.00 O ATOM 385 CG2 THR A 25 133.204 -7.193 11.075 1.00 0.00 C ATOM 0 H THR A 25 131.034 -3.866 11.151 1.00 0.00 H new ATOM 0 HA THR A 25 132.572 -5.281 13.112 1.00 0.00 H new ATOM 0 HB THR A 25 132.072 -5.635 10.185 1.00 0.00 H new ATOM 0 HG1 THR A 25 130.718 -7.402 11.030 1.00 0.00 H new ATOM 0 HG21 THR A 25 132.833 -7.974 10.411 1.00 0.00 H new ATOM 0 HG22 THR A 25 134.137 -6.792 10.678 1.00 0.00 H new ATOM 0 HG23 THR A 25 133.382 -7.613 12.065 1.00 0.00 H new ATOM 393 N PHE A 26 134.027 -3.294 11.011 1.00 0.00 N ATOM 394 CA PHE A 26 135.265 -2.685 10.537 1.00 0.00 C ATOM 395 C PHE A 26 135.731 -1.540 11.437 1.00 0.00 C ATOM 396 O PHE A 26 136.861 -1.076 11.316 1.00 0.00 O ATOM 397 CB PHE A 26 135.066 -2.217 9.092 1.00 0.00 C ATOM 398 CG PHE A 26 134.936 -3.372 8.137 1.00 0.00 C ATOM 399 CD1 PHE A 26 133.701 -3.946 7.894 1.00 0.00 C ATOM 400 CD2 PHE A 26 136.049 -3.897 7.498 1.00 0.00 C ATOM 401 CE1 PHE A 26 133.573 -5.019 7.036 1.00 0.00 C ATOM 402 CE2 PHE A 26 135.930 -4.971 6.634 1.00 0.00 C ATOM 403 CZ PHE A 26 134.690 -5.537 6.401 1.00 0.00 C ATOM 0 H PHE A 26 133.189 -2.772 10.754 1.00 0.00 H new ATOM 0 HA PHE A 26 136.057 -3.433 10.572 1.00 0.00 H new ATOM 0 HB2 PHE A 26 134.173 -1.595 9.032 1.00 0.00 H new ATOM 0 HB3 PHE A 26 135.909 -1.593 8.794 1.00 0.00 H new ATOM 0 HD1 PHE A 26 132.824 -3.548 8.383 1.00 0.00 H new ATOM 0 HD2 PHE A 26 137.021 -3.462 7.677 1.00 0.00 H new ATOM 0 HE1 PHE A 26 132.601 -5.455 6.859 1.00 0.00 H new ATOM 0 HE2 PHE A 26 136.806 -5.367 6.141 1.00 0.00 H new ATOM 0 HZ PHE A 26 134.593 -6.377 5.729 1.00 0.00 H new ATOM 413 N LEU A 27 134.887 -1.107 12.367 1.00 0.00 N ATOM 414 CA LEU A 27 135.263 -0.039 13.286 1.00 0.00 C ATOM 415 C LEU A 27 135.571 -0.602 14.669 1.00 0.00 C ATOM 416 O LEU A 27 134.796 -1.459 15.143 1.00 0.00 O ATOM 417 CB LEU A 27 134.147 1.000 13.390 1.00 0.00 C ATOM 418 CG LEU A 27 133.448 1.351 12.077 1.00 0.00 C ATOM 419 CD1 LEU A 27 132.486 2.500 12.282 1.00 0.00 C ATOM 420 CD2 LEU A 27 134.447 1.717 10.991 1.00 0.00 C ATOM 421 OXT LEU A 27 136.586 -0.183 15.265 1.00 0.00 O ATOM 0 H LEU A 27 133.946 -1.475 12.504 1.00 0.00 H new ATOM 0 HA LEU A 27 136.159 0.442 12.893 1.00 0.00 H new ATOM 0 HB2 LEU A 27 133.399 0.634 14.093 1.00 0.00 H new ATOM 0 HB3 LEU A 27 134.564 1.913 13.815 1.00 0.00 H new ATOM 0 HG LEU A 27 132.899 0.466 11.755 1.00 0.00 H new ATOM 0 HD11 LEU A 27 131.996 2.738 11.338 1.00 0.00 H new ATOM 0 HD12 LEU A 27 131.734 2.218 13.019 1.00 0.00 H new ATOM 0 HD13 LEU A 27 133.033 3.373 12.637 1.00 0.00 H new ATOM 0 HD21 LEU A 27 133.913 1.960 10.072 1.00 0.00 H new ATOM 0 HD22 LEU A 27 135.032 2.580 11.310 1.00 0.00 H new ATOM 0 HD23 LEU A 27 135.114 0.874 10.811 1.00 0.00 H new TER 433 LEU A 27 ATOM 434 N GLY B 1 117.923 -7.869 -5.059 1.00 0.00 N ATOM 435 CA GLY B 1 117.721 -6.440 -5.427 1.00 0.00 C ATOM 436 C GLY B 1 119.030 -5.756 -5.794 1.00 0.00 C ATOM 437 O GLY B 1 120.096 -6.323 -5.573 1.00 0.00 O ATOM 0 H1 GLY B 1 117.448 -8.477 -5.756 1.00 0.00 H new ATOM 0 H2 GLY B 1 118.940 -8.084 -5.048 1.00 0.00 H new ATOM 0 H3 GLY B 1 117.522 -8.045 -4.116 1.00 0.00 H new ATOM 0 HA2 GLY B 1 117.030 -6.376 -6.268 1.00 0.00 H new ATOM 0 HA3 GLY B 1 117.258 -5.913 -4.593 1.00 0.00 H new ATOM 443 N TYR B 2 118.963 -4.545 -6.360 1.00 0.00 N ATOM 444 CA TYR B 2 120.165 -3.815 -6.755 1.00 0.00 C ATOM 445 C TYR B 2 120.083 -2.350 -6.311 1.00 0.00 C ATOM 446 O TYR B 2 119.031 -1.721 -6.424 1.00 0.00 O ATOM 447 CB TYR B 2 120.345 -3.904 -8.265 1.00 0.00 C ATOM 448 CG TYR B 2 121.249 -5.022 -8.732 1.00 0.00 C ATOM 449 CD1 TYR B 2 121.014 -6.345 -8.375 1.00 0.00 C ATOM 450 CD2 TYR B 2 122.329 -4.751 -9.554 1.00 0.00 C ATOM 451 CE1 TYR B 2 121.838 -7.362 -8.822 1.00 0.00 C ATOM 452 CE2 TYR B 2 123.155 -5.760 -10.009 1.00 0.00 C ATOM 453 CZ TYR B 2 122.907 -7.064 -9.639 1.00 0.00 C ATOM 454 OH TYR B 2 123.727 -8.074 -10.091 1.00 0.00 O ATOM 0 H TYR B 2 118.090 -4.054 -6.553 1.00 0.00 H new ATOM 0 HA TYR B 2 121.027 -4.267 -6.265 1.00 0.00 H new ATOM 0 HB2 TYR B 2 119.366 -4.031 -8.726 1.00 0.00 H new ATOM 0 HB3 TYR B 2 120.747 -2.957 -8.625 1.00 0.00 H new ATOM 0 HD1 TYR B 2 120.175 -6.582 -7.738 1.00 0.00 H new ATOM 0 HD2 TYR B 2 122.530 -3.731 -9.845 1.00 0.00 H new ATOM 0 HE1 TYR B 2 121.645 -8.384 -8.532 1.00 0.00 H new ATOM 0 HE2 TYR B 2 123.991 -5.528 -10.652 1.00 0.00 H new ATOM 0 HH TYR B 2 124.655 -7.759 -10.108 1.00 0.00 H new ATOM 464 N ILE B 3 121.194 -1.808 -5.806 1.00 0.00 N ATOM 465 CA ILE B 3 121.225 -0.411 -5.351 1.00 0.00 C ATOM 466 C ILE B 3 121.577 0.554 -6.460 1.00 0.00 C ATOM 467 O ILE B 3 122.208 0.189 -7.451 1.00 0.00 O ATOM 468 CB ILE B 3 122.233 -0.112 -4.231 1.00 0.00 C ATOM 469 CG1 ILE B 3 123.536 -0.871 -4.434 1.00 0.00 C ATOM 470 CG2 ILE B 3 121.646 -0.374 -2.865 1.00 0.00 C ATOM 471 CD1 ILE B 3 124.444 -0.876 -3.227 1.00 0.00 C ATOM 0 H ILE B 3 122.077 -2.307 -5.701 1.00 0.00 H new ATOM 0 HA ILE B 3 120.208 -0.273 -4.983 1.00 0.00 H new ATOM 0 HB ILE B 3 122.464 0.952 -4.283 1.00 0.00 H new ATOM 0 HG12 ILE B 3 123.305 -1.901 -4.705 1.00 0.00 H new ATOM 0 HG13 ILE B 3 124.072 -0.432 -5.276 1.00 0.00 H new ATOM 0 HG21 ILE B 3 122.390 -0.151 -2.100 1.00 0.00 H new ATOM 0 HG22 ILE B 3 120.772 0.260 -2.717 1.00 0.00 H new ATOM 0 HG23 ILE B 3 121.352 -1.421 -2.790 1.00 0.00 H new ATOM 0 HD11 ILE B 3 125.350 -1.438 -3.455 1.00 0.00 H new ATOM 0 HD12 ILE B 3 124.708 0.149 -2.966 1.00 0.00 H new ATOM 0 HD13 ILE B 3 123.930 -1.343 -2.387 1.00 0.00 H new ATOM 483 N PRO B 4 121.202 1.824 -6.270 1.00 0.00 N ATOM 484 CA PRO B 4 121.501 2.881 -7.205 1.00 0.00 C ATOM 485 C PRO B 4 122.815 3.582 -6.848 1.00 0.00 C ATOM 486 O PRO B 4 123.273 3.529 -5.706 1.00 0.00 O ATOM 487 CB PRO B 4 120.304 3.806 -7.042 1.00 0.00 C ATOM 488 CG PRO B 4 119.924 3.672 -5.594 1.00 0.00 C ATOM 489 CD PRO B 4 120.476 2.344 -5.101 1.00 0.00 C ATOM 0 HA PRO B 4 121.642 2.536 -8.229 1.00 0.00 H new ATOM 0 HB2 PRO B 4 120.560 4.836 -7.292 1.00 0.00 H new ATOM 0 HB3 PRO B 4 119.483 3.514 -7.697 1.00 0.00 H new ATOM 0 HG2 PRO B 4 120.333 4.498 -5.012 1.00 0.00 H new ATOM 0 HG3 PRO B 4 118.841 3.705 -5.477 1.00 0.00 H new ATOM 0 HD2 PRO B 4 121.136 2.476 -4.244 1.00 0.00 H new ATOM 0 HD3 PRO B 4 119.680 1.668 -4.789 1.00 0.00 H new ATOM 497 N GLU B 5 123.429 4.201 -7.853 1.00 0.00 N ATOM 498 CA GLU B 5 124.713 4.878 -7.696 1.00 0.00 C ATOM 499 C GLU B 5 124.688 5.977 -6.631 1.00 0.00 C ATOM 500 O GLU B 5 123.718 6.724 -6.501 1.00 0.00 O ATOM 501 CB GLU B 5 125.159 5.455 -9.048 1.00 0.00 C ATOM 502 CG GLU B 5 126.326 6.434 -8.968 1.00 0.00 C ATOM 503 CD GLU B 5 127.594 5.912 -9.621 1.00 0.00 C ATOM 504 OE1 GLU B 5 127.598 5.725 -10.856 1.00 0.00 O ATOM 505 OE2 GLU B 5 128.589 5.691 -8.886 1.00 0.00 O ATOM 0 H GLU B 5 123.050 4.247 -8.799 1.00 0.00 H new ATOM 0 HA GLU B 5 125.429 4.133 -7.351 1.00 0.00 H new ATOM 0 HB2 GLU B 5 125.438 4.631 -9.705 1.00 0.00 H new ATOM 0 HB3 GLU B 5 124.310 5.959 -9.511 1.00 0.00 H new ATOM 0 HG2 GLU B 5 126.039 7.371 -9.446 1.00 0.00 H new ATOM 0 HG3 GLU B 5 126.531 6.660 -7.921 1.00 0.00 H new ATOM 512 N ALA B 6 125.797 6.069 -5.896 1.00 0.00 N ATOM 513 CA ALA B 6 125.973 7.076 -4.855 1.00 0.00 C ATOM 514 C ALA B 6 126.558 8.355 -5.447 1.00 0.00 C ATOM 515 O ALA B 6 127.179 8.323 -6.509 1.00 0.00 O ATOM 516 CB ALA B 6 126.886 6.550 -3.755 1.00 0.00 C ATOM 0 H ALA B 6 126.597 5.446 -6.007 1.00 0.00 H new ATOM 0 HA ALA B 6 124.996 7.300 -4.425 1.00 0.00 H new ATOM 0 HB1 ALA B 6 127.007 7.313 -2.986 1.00 0.00 H new ATOM 0 HB2 ALA B 6 126.445 5.656 -3.313 1.00 0.00 H new ATOM 0 HB3 ALA B 6 127.860 6.303 -4.178 1.00 0.00 H new ATOM 522 N PRO B 7 126.385 9.499 -4.765 1.00 0.00 N ATOM 523 CA PRO B 7 126.919 10.780 -5.232 1.00 0.00 C ATOM 524 C PRO B 7 128.401 10.683 -5.567 1.00 0.00 C ATOM 525 O PRO B 7 129.116 9.842 -5.022 1.00 0.00 O ATOM 526 CB PRO B 7 126.697 11.732 -4.046 1.00 0.00 C ATOM 527 CG PRO B 7 126.313 10.862 -2.895 1.00 0.00 C ATOM 528 CD PRO B 7 125.682 9.638 -3.486 1.00 0.00 C ATOM 0 HA PRO B 7 126.431 11.115 -6.147 1.00 0.00 H new ATOM 0 HB2 PRO B 7 127.602 12.298 -3.824 1.00 0.00 H new ATOM 0 HB3 PRO B 7 125.914 12.457 -4.267 1.00 0.00 H new ATOM 0 HG2 PRO B 7 127.186 10.600 -2.298 1.00 0.00 H new ATOM 0 HG3 PRO B 7 125.617 11.377 -2.233 1.00 0.00 H new ATOM 0 HD2 PRO B 7 125.821 8.764 -2.850 1.00 0.00 H new ATOM 0 HD3 PRO B 7 124.608 9.763 -3.626 1.00 0.00 H new ATOM 536 N ARG B 8 128.857 11.532 -6.479 1.00 0.00 N ATOM 537 CA ARG B 8 130.251 11.524 -6.898 1.00 0.00 C ATOM 538 C ARG B 8 130.960 12.811 -6.508 1.00 0.00 C ATOM 539 O ARG B 8 131.351 13.612 -7.357 1.00 0.00 O ATOM 540 CB ARG B 8 130.328 11.295 -8.388 1.00 0.00 C ATOM 541 CG ARG B 8 129.993 9.868 -8.780 1.00 0.00 C ATOM 542 CD ARG B 8 130.483 9.544 -10.175 1.00 0.00 C ATOM 543 NE ARG B 8 129.456 9.789 -11.184 1.00 0.00 N ATOM 544 CZ ARG B 8 129.716 10.104 -12.451 1.00 0.00 C ATOM 545 NH1 ARG B 8 130.969 10.209 -12.876 1.00 0.00 N ATOM 546 NH2 ARG B 8 128.717 10.313 -13.297 1.00 0.00 N ATOM 0 H ARG B 8 128.281 12.235 -6.942 1.00 0.00 H new ATOM 0 HA ARG B 8 130.762 10.710 -6.384 1.00 0.00 H new ATOM 0 HB2 ARG B 8 129.642 11.976 -8.892 1.00 0.00 H new ATOM 0 HB3 ARG B 8 131.332 11.537 -8.737 1.00 0.00 H new ATOM 0 HG2 ARG B 8 130.444 9.179 -8.066 1.00 0.00 H new ATOM 0 HG3 ARG B 8 128.914 9.720 -8.729 1.00 0.00 H new ATOM 0 HD2 ARG B 8 131.363 10.146 -10.399 1.00 0.00 H new ATOM 0 HD3 ARG B 8 130.792 8.500 -10.218 1.00 0.00 H new ATOM 0 HE ARG B 8 128.479 9.714 -10.900 1.00 0.00 H new ATOM 0 HH11 ARG B 8 131.742 10.048 -12.230 1.00 0.00 H new ATOM 0 HH12 ARG B 8 131.159 10.451 -13.849 1.00 0.00 H new ATOM 0 HH21 ARG B 8 127.752 10.232 -12.977 1.00 0.00 H new ATOM 0 HH22 ARG B 8 128.913 10.555 -14.268 1.00 0.00 H new ATOM 560 N ASP B 9 131.129 12.982 -5.207 1.00 0.00 N ATOM 561 CA ASP B 9 131.802 14.148 -4.651 1.00 0.00 C ATOM 562 C ASP B 9 133.161 13.760 -4.072 1.00 0.00 C ATOM 563 O ASP B 9 133.753 14.515 -3.302 1.00 0.00 O ATOM 564 CB ASP B 9 130.956 14.785 -3.547 1.00 0.00 C ATOM 565 CG ASP B 9 130.707 13.845 -2.384 1.00 0.00 C ATOM 566 OD1 ASP B 9 131.285 12.738 -2.379 1.00 0.00 O ATOM 567 OD2 ASP B 9 129.931 14.216 -1.478 1.00 0.00 O ATOM 0 H ASP B 9 130.804 12.317 -4.505 1.00 0.00 H new ATOM 0 HA ASP B 9 131.943 14.865 -5.459 1.00 0.00 H new ATOM 0 HB2 ASP B 9 131.457 15.682 -3.183 1.00 0.00 H new ATOM 0 HB3 ASP B 9 130.000 15.101 -3.964 1.00 0.00 H new ATOM 572 N GLY B 10 133.648 12.581 -4.440 1.00 0.00 N ATOM 573 CA GLY B 10 134.928 12.124 -3.937 1.00 0.00 C ATOM 574 C GLY B 10 134.866 11.729 -2.477 1.00 0.00 C ATOM 575 O GLY B 10 135.849 11.870 -1.748 1.00 0.00 O ATOM 0 H GLY B 10 133.180 11.935 -5.076 1.00 0.00 H new ATOM 0 HA2 GLY B 10 135.264 11.272 -4.527 1.00 0.00 H new ATOM 0 HA3 GLY B 10 135.669 12.913 -4.066 1.00 0.00 H new ATOM 579 N GLN B 11 133.712 11.221 -2.050 1.00 0.00 N ATOM 580 CA GLN B 11 133.530 10.786 -0.671 1.00 0.00 C ATOM 581 C GLN B 11 133.097 9.338 -0.631 1.00 0.00 C ATOM 582 O GLN B 11 132.427 8.869 -1.545 1.00 0.00 O ATOM 583 CB GLN B 11 132.493 11.623 0.037 1.00 0.00 C ATOM 584 CG GLN B 11 132.886 13.073 0.251 1.00 0.00 C ATOM 585 CD GLN B 11 133.486 13.325 1.630 1.00 0.00 C ATOM 586 OE1 GLN B 11 133.841 12.388 2.343 1.00 0.00 O ATOM 587 NE2 GLN B 11 133.613 14.596 2.008 1.00 0.00 N ATOM 0 H GLN B 11 132.890 11.101 -2.641 1.00 0.00 H new ATOM 0 HA GLN B 11 134.487 10.904 -0.163 1.00 0.00 H new ATOM 0 HB2 GLN B 11 131.567 11.593 -0.538 1.00 0.00 H new ATOM 0 HB3 GLN B 11 132.281 11.171 1.006 1.00 0.00 H new ATOM 0 HG2 GLN B 11 133.606 13.366 -0.513 1.00 0.00 H new ATOM 0 HG3 GLN B 11 132.008 13.706 0.121 1.00 0.00 H new ATOM 0 HE21 GLN B 11 133.307 15.346 1.388 1.00 0.00 H new ATOM 0 HE22 GLN B 11 134.017 14.820 2.918 1.00 0.00 H new ATOM 596 N ALA B 12 133.475 8.627 0.427 1.00 0.00 N ATOM 597 CA ALA B 12 133.138 7.222 0.578 1.00 0.00 C ATOM 598 C ALA B 12 131.858 7.037 1.352 1.00 0.00 C ATOM 599 O ALA B 12 131.608 7.696 2.361 1.00 0.00 O ATOM 600 CB ALA B 12 134.278 6.469 1.242 1.00 0.00 C ATOM 0 H ALA B 12 134.021 9.010 1.199 1.00 0.00 H new ATOM 0 HA ALA B 12 132.981 6.811 -0.419 1.00 0.00 H new ATOM 0 HB1 ALA B 12 134.008 5.418 1.347 1.00 0.00 H new ATOM 0 HB2 ALA B 12 135.175 6.553 0.629 1.00 0.00 H new ATOM 0 HB3 ALA B 12 134.470 6.894 2.227 1.00 0.00 H new ATOM 606 N TYR B 13 131.043 6.143 0.835 1.00 0.00 N ATOM 607 CA TYR B 13 129.756 5.845 1.416 1.00 0.00 C ATOM 608 C TYR B 13 129.608 4.403 1.778 1.00 0.00 C ATOM 609 O TYR B 13 130.180 3.492 1.179 1.00 0.00 O ATOM 610 CB TYR B 13 128.645 6.216 0.450 1.00 0.00 C ATOM 611 CG TYR B 13 128.488 7.700 0.292 1.00 0.00 C ATOM 612 CD1 TYR B 13 127.790 8.448 1.219 1.00 0.00 C ATOM 613 CD2 TYR B 13 129.068 8.349 -0.765 1.00 0.00 C ATOM 614 CE1 TYR B 13 127.670 9.817 1.089 1.00 0.00 C ATOM 615 CE2 TYR B 13 128.965 9.715 -0.907 1.00 0.00 C ATOM 616 CZ TYR B 13 128.264 10.447 0.023 1.00 0.00 C ATOM 617 OH TYR B 13 128.160 11.812 -0.115 1.00 0.00 O ATOM 0 H TYR B 13 131.257 5.602 -0.003 1.00 0.00 H new ATOM 0 HA TYR B 13 129.686 6.435 2.330 1.00 0.00 H new ATOM 0 HB2 TYR B 13 128.851 5.771 -0.523 1.00 0.00 H new ATOM 0 HB3 TYR B 13 127.705 5.791 0.802 1.00 0.00 H new ATOM 0 HD1 TYR B 13 127.329 7.953 2.061 1.00 0.00 H new ATOM 0 HD2 TYR B 13 129.616 7.779 -1.501 1.00 0.00 H new ATOM 0 HE1 TYR B 13 127.114 10.387 1.819 1.00 0.00 H new ATOM 0 HE2 TYR B 13 129.433 10.210 -1.745 1.00 0.00 H new ATOM 0 HH TYR B 13 128.638 12.097 -0.922 1.00 0.00 H new ATOM 627 N VAL B 14 128.776 4.248 2.752 1.00 0.00 N ATOM 628 CA VAL B 14 128.398 2.989 3.292 1.00 0.00 C ATOM 629 C VAL B 14 126.986 2.743 2.820 1.00 0.00 C ATOM 630 O VAL B 14 126.278 3.698 2.493 1.00 0.00 O ATOM 631 CB VAL B 14 128.425 3.085 4.827 1.00 0.00 C ATOM 632 CG1 VAL B 14 129.317 2.037 5.471 1.00 0.00 C ATOM 633 CG2 VAL B 14 128.839 4.485 5.276 1.00 0.00 C ATOM 0 H VAL B 14 128.320 5.035 3.214 1.00 0.00 H new ATOM 0 HA VAL B 14 129.065 2.186 2.980 1.00 0.00 H new ATOM 0 HB VAL B 14 127.408 2.886 5.166 1.00 0.00 H new ATOM 0 HG11 VAL B 14 129.295 2.156 6.554 1.00 0.00 H new ATOM 0 HG12 VAL B 14 128.958 1.042 5.208 1.00 0.00 H new ATOM 0 HG13 VAL B 14 130.339 2.160 5.114 1.00 0.00 H new ATOM 0 HG21 VAL B 14 128.851 4.529 6.365 1.00 0.00 H new ATOM 0 HG22 VAL B 14 129.834 4.711 4.893 1.00 0.00 H new ATOM 0 HG23 VAL B 14 128.128 5.216 4.891 1.00 0.00 H new ATOM 643 N ARG B 15 126.552 1.502 2.765 1.00 0.00 N ATOM 644 CA ARG B 15 125.207 1.257 2.306 1.00 0.00 C ATOM 645 C ARG B 15 124.352 0.910 3.512 1.00 0.00 C ATOM 646 O ARG B 15 124.414 -0.185 4.071 1.00 0.00 O ATOM 647 CB ARG B 15 125.220 0.142 1.238 1.00 0.00 C ATOM 648 CG ARG B 15 124.460 0.408 -0.063 1.00 0.00 C ATOM 649 CD ARG B 15 123.215 1.241 0.107 1.00 0.00 C ATOM 650 NE ARG B 15 121.995 0.418 0.105 1.00 0.00 N ATOM 651 CZ ARG B 15 121.275 0.143 1.191 1.00 0.00 C ATOM 652 NH1 ARG B 15 121.569 0.716 2.343 1.00 0.00 N ATOM 653 NH2 ARG B 15 120.244 -0.686 1.126 1.00 0.00 N ATOM 0 H ARG B 15 127.091 0.675 3.023 1.00 0.00 H new ATOM 0 HA ARG B 15 124.780 2.140 1.830 1.00 0.00 H new ATOM 0 HB2 ARG B 15 126.259 -0.070 0.985 1.00 0.00 H new ATOM 0 HB3 ARG B 15 124.811 -0.762 1.689 1.00 0.00 H new ATOM 0 HG2 ARG B 15 125.127 0.910 -0.764 1.00 0.00 H new ATOM 0 HG3 ARG B 15 124.186 -0.547 -0.512 1.00 0.00 H new ATOM 0 HD2 ARG B 15 123.276 1.796 1.043 1.00 0.00 H new ATOM 0 HD3 ARG B 15 123.158 1.975 -0.696 1.00 0.00 H new ATOM 0 HE ARG B 15 121.681 0.033 -0.786 1.00 0.00 H new ATOM 0 HH11 ARG B 15 122.349 1.371 2.403 1.00 0.00 H new ATOM 0 HH12 ARG B 15 121.016 0.504 3.174 1.00 0.00 H new ATOM 0 HH21 ARG B 15 119.995 -1.121 0.238 1.00 0.00 H new ATOM 0 HH22 ARG B 15 119.700 -0.889 1.964 1.00 0.00 H new ATOM 667 N LYS B 16 123.534 1.901 3.881 1.00 0.00 N ATOM 668 CA LYS B 16 122.604 1.803 5.000 1.00 0.00 C ATOM 669 C LYS B 16 121.261 2.429 4.669 1.00 0.00 C ATOM 670 O LYS B 16 121.213 3.573 4.213 1.00 0.00 O ATOM 671 CB LYS B 16 123.190 2.469 6.243 1.00 0.00 C ATOM 672 CG LYS B 16 122.677 3.867 6.534 1.00 0.00 C ATOM 673 CD LYS B 16 123.426 4.456 7.726 1.00 0.00 C ATOM 674 CE LYS B 16 122.525 5.285 8.620 1.00 0.00 C ATOM 675 NZ LYS B 16 123.299 6.062 9.629 1.00 0.00 N ATOM 0 H LYS B 16 123.502 2.802 3.403 1.00 0.00 H new ATOM 0 HA LYS B 16 122.446 0.743 5.198 1.00 0.00 H new ATOM 0 HB2 LYS B 16 122.982 1.837 7.106 1.00 0.00 H new ATOM 0 HB3 LYS B 16 124.274 2.513 6.134 1.00 0.00 H new ATOM 0 HG2 LYS B 16 122.811 4.503 5.659 1.00 0.00 H new ATOM 0 HG3 LYS B 16 121.608 3.835 6.744 1.00 0.00 H new ATOM 0 HD2 LYS B 16 123.869 3.648 8.309 1.00 0.00 H new ATOM 0 HD3 LYS B 16 124.247 5.076 7.366 1.00 0.00 H new ATOM 0 HE2 LYS B 16 121.938 5.970 8.008 1.00 0.00 H new ATOM 0 HE3 LYS B 16 121.819 4.630 9.131 1.00 0.00 H new ATOM 0 HZ1 LYS B 16 122.644 6.614 10.219 1.00 0.00 H new ATOM 0 HZ2 LYS B 16 123.839 5.408 10.231 1.00 0.00 H new ATOM 0 HZ3 LYS B 16 123.954 6.707 9.143 1.00 0.00 H new ATOM 689 N ASP B 17 120.174 1.742 4.957 1.00 0.00 N ATOM 690 CA ASP B 17 118.862 2.320 4.744 1.00 0.00 C ATOM 691 C ASP B 17 118.634 2.734 3.292 1.00 0.00 C ATOM 692 O ASP B 17 118.070 3.796 3.023 1.00 0.00 O ATOM 693 CB ASP B 17 118.685 3.524 5.669 1.00 0.00 C ATOM 694 CG ASP B 17 117.552 3.328 6.653 1.00 0.00 C ATOM 695 OD1 ASP B 17 117.399 2.194 7.153 1.00 0.00 O ATOM 696 OD2 ASP B 17 116.821 4.303 6.922 1.00 0.00 O ATOM 0 H ASP B 17 120.171 0.794 5.335 1.00 0.00 H new ATOM 0 HA ASP B 17 118.120 1.555 4.974 1.00 0.00 H new ATOM 0 HB2 ASP B 17 119.612 3.700 6.215 1.00 0.00 H new ATOM 0 HB3 ASP B 17 118.494 4.415 5.070 1.00 0.00 H new ATOM 701 N GLY B 18 119.044 1.885 2.357 1.00 0.00 N ATOM 702 CA GLY B 18 118.844 2.171 0.949 1.00 0.00 C ATOM 703 C GLY B 18 119.522 3.447 0.497 1.00 0.00 C ATOM 704 O GLY B 18 119.192 3.979 -0.564 1.00 0.00 O ATOM 0 H GLY B 18 119.513 1.000 2.550 1.00 0.00 H new ATOM 0 HA2 GLY B 18 119.223 1.337 0.358 1.00 0.00 H new ATOM 0 HA3 GLY B 18 117.775 2.244 0.748 1.00 0.00 H new ATOM 708 N GLU B 19 120.436 3.975 1.306 1.00 0.00 N ATOM 709 CA GLU B 19 121.090 5.217 0.957 1.00 0.00 C ATOM 710 C GLU B 19 122.579 5.151 1.187 1.00 0.00 C ATOM 711 O GLU B 19 123.080 4.260 1.873 1.00 0.00 O ATOM 712 CB GLU B 19 120.506 6.338 1.803 1.00 0.00 C ATOM 713 CG GLU B 19 119.144 6.812 1.325 1.00 0.00 C ATOM 714 CD GLU B 19 118.696 8.086 2.010 1.00 0.00 C ATOM 715 OE1 GLU B 19 119.227 9.163 1.666 1.00 0.00 O ATOM 716 OE2 GLU B 19 117.813 8.008 2.890 1.00 0.00 O ATOM 0 H GLU B 19 120.732 3.565 2.192 1.00 0.00 H new ATOM 0 HA GLU B 19 120.921 5.402 -0.104 1.00 0.00 H new ATOM 0 HB2 GLU B 19 120.422 5.997 2.835 1.00 0.00 H new ATOM 0 HB3 GLU B 19 121.197 7.181 1.801 1.00 0.00 H new ATOM 0 HG2 GLU B 19 119.178 6.976 0.248 1.00 0.00 H new ATOM 0 HG3 GLU B 19 118.407 6.029 1.505 1.00 0.00 H new ATOM 723 N TRP B 20 123.281 6.116 0.621 1.00 0.00 N ATOM 724 CA TRP B 20 124.710 6.183 0.778 1.00 0.00 C ATOM 725 C TRP B 20 125.084 7.163 1.869 1.00 0.00 C ATOM 726 O TRP B 20 124.916 8.372 1.720 1.00 0.00 O ATOM 727 CB TRP B 20 125.408 6.541 -0.540 1.00 0.00 C ATOM 728 CG TRP B 20 125.220 5.466 -1.551 1.00 0.00 C ATOM 729 CD1 TRP B 20 124.465 5.489 -2.693 1.00 0.00 C ATOM 730 CD2 TRP B 20 125.791 4.171 -1.471 1.00 0.00 C ATOM 731 NE1 TRP B 20 124.556 4.269 -3.332 1.00 0.00 N ATOM 732 CE2 TRP B 20 125.364 3.453 -2.594 1.00 0.00 C ATOM 733 CE3 TRP B 20 126.634 3.550 -0.550 1.00 0.00 C ATOM 734 CZ2 TRP B 20 125.752 2.149 -2.818 1.00 0.00 C ATOM 735 CZ3 TRP B 20 127.011 2.255 -0.774 1.00 0.00 C ATOM 736 CH2 TRP B 20 126.572 1.567 -1.905 1.00 0.00 C ATOM 0 H TRP B 20 122.879 6.860 0.051 1.00 0.00 H new ATOM 0 HA TRP B 20 125.055 5.192 1.072 1.00 0.00 H new ATOM 0 HB2 TRP B 20 125.009 7.480 -0.924 1.00 0.00 H new ATOM 0 HB3 TRP B 20 126.472 6.696 -0.362 1.00 0.00 H new ATOM 0 HD1 TRP B 20 123.887 6.332 -3.041 1.00 0.00 H new ATOM 0 HE1 TRP B 20 124.097 4.019 -4.208 1.00 0.00 H new ATOM 0 HE3 TRP B 20 126.982 4.082 0.323 1.00 0.00 H new ATOM 0 HZ2 TRP B 20 125.415 1.608 -3.690 1.00 0.00 H new ATOM 0 HZ3 TRP B 20 127.657 1.758 -0.066 1.00 0.00 H new ATOM 0 HH2 TRP B 20 126.892 0.547 -2.058 1.00 0.00 H new ATOM 747 N VAL B 21 125.618 6.632 2.960 1.00 0.00 N ATOM 748 CA VAL B 21 126.044 7.466 4.068 1.00 0.00 C ATOM 749 C VAL B 21 127.540 7.541 4.096 1.00 0.00 C ATOM 750 O VAL B 21 128.241 6.574 3.823 1.00 0.00 O ATOM 751 CB VAL B 21 125.590 6.963 5.443 1.00 0.00 C ATOM 752 CG1 VAL B 21 125.874 8.019 6.499 1.00 0.00 C ATOM 753 CG2 VAL B 21 124.121 6.592 5.480 1.00 0.00 C ATOM 0 H VAL B 21 125.765 5.632 3.099 1.00 0.00 H new ATOM 0 HA VAL B 21 125.579 8.437 3.895 1.00 0.00 H new ATOM 0 HB VAL B 21 126.157 6.056 5.651 1.00 0.00 H new ATOM 0 HG11 VAL B 21 125.549 7.655 7.474 1.00 0.00 H new ATOM 0 HG12 VAL B 21 126.944 8.227 6.527 1.00 0.00 H new ATOM 0 HG13 VAL B 21 125.333 8.933 6.254 1.00 0.00 H new ATOM 0 HG21 VAL B 21 123.859 6.243 6.479 1.00 0.00 H new ATOM 0 HG22 VAL B 21 123.519 7.466 5.231 1.00 0.00 H new ATOM 0 HG23 VAL B 21 123.927 5.800 4.757 1.00 0.00 H new ATOM 763 N LEU B 22 128.010 8.712 4.413 1.00 0.00 N ATOM 764 CA LEU B 22 129.419 8.975 4.478 1.00 0.00 C ATOM 765 C LEU B 22 130.128 8.045 5.451 1.00 0.00 C ATOM 766 O LEU B 22 129.740 7.914 6.612 1.00 0.00 O ATOM 767 CB LEU B 22 129.626 10.423 4.869 1.00 0.00 C ATOM 768 CG LEU B 22 130.186 11.316 3.763 1.00 0.00 C ATOM 769 CD1 LEU B 22 130.566 12.678 4.314 1.00 0.00 C ATOM 770 CD2 LEU B 22 131.388 10.656 3.117 1.00 0.00 C ATOM 0 H LEU B 22 127.424 9.517 4.635 1.00 0.00 H new ATOM 0 HA LEU B 22 129.856 8.789 3.497 1.00 0.00 H new ATOM 0 HB2 LEU B 22 128.672 10.834 5.200 1.00 0.00 H new ATOM 0 HB3 LEU B 22 130.302 10.460 5.723 1.00 0.00 H new ATOM 0 HG LEU B 22 129.413 11.456 3.008 1.00 0.00 H new ATOM 0 HD11 LEU B 22 130.963 13.298 3.510 1.00 0.00 H new ATOM 0 HD12 LEU B 22 129.685 13.157 4.741 1.00 0.00 H new ATOM 0 HD13 LEU B 22 131.324 12.559 5.088 1.00 0.00 H new ATOM 0 HD21 LEU B 22 131.779 11.302 2.330 1.00 0.00 H new ATOM 0 HD22 LEU B 22 132.160 10.492 3.868 1.00 0.00 H new ATOM 0 HD23 LEU B 22 131.091 9.700 2.687 1.00 0.00 H new ATOM 782 N LEU B 23 131.174 7.410 4.953 1.00 0.00 N ATOM 783 CA LEU B 23 131.975 6.487 5.739 1.00 0.00 C ATOM 784 C LEU B 23 132.625 7.180 6.922 1.00 0.00 C ATOM 785 O LEU B 23 132.729 6.615 8.009 1.00 0.00 O ATOM 786 CB LEU B 23 133.072 5.909 4.865 1.00 0.00 C ATOM 787 CG LEU B 23 134.111 5.030 5.580 1.00 0.00 C ATOM 788 CD1 LEU B 23 133.467 4.115 6.605 1.00 0.00 C ATOM 789 CD2 LEU B 23 134.893 4.208 4.576 1.00 0.00 C ATOM 0 H LEU B 23 131.493 7.520 3.990 1.00 0.00 H new ATOM 0 HA LEU B 23 131.314 5.704 6.111 1.00 0.00 H new ATOM 0 HB2 LEU B 23 132.607 5.318 4.076 1.00 0.00 H new ATOM 0 HB3 LEU B 23 133.595 6.733 4.380 1.00 0.00 H new ATOM 0 HG LEU B 23 134.792 5.699 6.107 1.00 0.00 H new ATOM 0 HD11 LEU B 23 134.236 3.511 7.087 1.00 0.00 H new ATOM 0 HD12 LEU B 23 132.952 4.715 7.356 1.00 0.00 H new ATOM 0 HD13 LEU B 23 132.750 3.461 6.109 1.00 0.00 H new ATOM 0 HD21 LEU B 23 135.624 3.592 5.100 1.00 0.00 H new ATOM 0 HD22 LEU B 23 134.210 3.566 4.020 1.00 0.00 H new ATOM 0 HD23 LEU B 23 135.409 4.874 3.884 1.00 0.00 H new ATOM 801 N SER B 24 133.097 8.392 6.692 1.00 0.00 N ATOM 802 CA SER B 24 133.788 9.153 7.728 1.00 0.00 C ATOM 803 C SER B 24 132.850 9.497 8.875 1.00 0.00 C ATOM 804 O SER B 24 133.303 9.746 9.993 1.00 0.00 O ATOM 805 CB SER B 24 134.369 10.439 7.136 1.00 0.00 C ATOM 806 OG SER B 24 133.665 10.823 5.967 1.00 0.00 O ATOM 0 H SER B 24 133.016 8.875 5.797 1.00 0.00 H new ATOM 0 HA SER B 24 134.596 8.533 8.118 1.00 0.00 H new ATOM 0 HB2 SER B 24 134.318 11.239 7.875 1.00 0.00 H new ATOM 0 HB3 SER B 24 135.422 10.291 6.898 1.00 0.00 H new ATOM 0 HG SER B 24 134.053 11.648 5.608 1.00 0.00 H new ATOM 812 N THR B 25 131.545 9.451 8.629 1.00 0.00 N ATOM 813 CA THR B 25 130.600 9.702 9.705 1.00 0.00 C ATOM 814 C THR B 25 130.684 8.543 10.702 1.00 0.00 C ATOM 815 O THR B 25 130.225 8.636 11.840 1.00 0.00 O ATOM 816 CB THR B 25 129.166 9.841 9.166 1.00 0.00 C ATOM 817 OG1 THR B 25 128.965 11.134 8.627 1.00 0.00 O ATOM 818 CG2 THR B 25 128.081 9.610 10.202 1.00 0.00 C ATOM 0 H THR B 25 131.128 9.248 7.720 1.00 0.00 H new ATOM 0 HA THR B 25 130.854 10.641 10.197 1.00 0.00 H new ATOM 0 HB THR B 25 129.078 9.062 8.409 1.00 0.00 H new ATOM 0 HG1 THR B 25 128.049 11.208 8.286 1.00 0.00 H new ATOM 0 HG21 THR B 25 127.102 9.728 9.736 1.00 0.00 H new ATOM 0 HG22 THR B 25 128.172 8.602 10.606 1.00 0.00 H new ATOM 0 HG23 THR B 25 128.188 10.335 11.009 1.00 0.00 H new ATOM 826 N PHE B 26 131.260 7.440 10.221 1.00 0.00 N ATOM 827 CA PHE B 26 131.413 6.212 10.991 1.00 0.00 C ATOM 828 C PHE B 26 132.810 6.063 11.584 1.00 0.00 C ATOM 829 O PHE B 26 133.070 5.128 12.338 1.00 0.00 O ATOM 830 CB PHE B 26 131.094 5.031 10.083 1.00 0.00 C ATOM 831 CG PHE B 26 129.637 4.965 9.710 1.00 0.00 C ATOM 832 CD1 PHE B 26 128.714 4.366 10.552 1.00 0.00 C ATOM 833 CD2 PHE B 26 129.191 5.518 8.519 1.00 0.00 C ATOM 834 CE1 PHE B 26 127.372 4.319 10.214 1.00 0.00 C ATOM 835 CE2 PHE B 26 127.852 5.477 8.174 1.00 0.00 C ATOM 836 CZ PHE B 26 126.938 4.875 9.022 1.00 0.00 C ATOM 0 H PHE B 26 131.636 7.377 9.275 1.00 0.00 H new ATOM 0 HA PHE B 26 130.723 6.247 11.834 1.00 0.00 H new ATOM 0 HB2 PHE B 26 131.695 5.102 9.176 1.00 0.00 H new ATOM 0 HB3 PHE B 26 131.380 4.105 10.583 1.00 0.00 H new ATOM 0 HD1 PHE B 26 129.045 3.931 11.483 1.00 0.00 H new ATOM 0 HD2 PHE B 26 129.899 5.987 7.852 1.00 0.00 H new ATOM 0 HE1 PHE B 26 126.664 3.849 10.880 1.00 0.00 H new ATOM 0 HE2 PHE B 26 127.520 5.914 7.244 1.00 0.00 H new ATOM 0 HZ PHE B 26 125.892 4.839 8.755 1.00 0.00 H new ATOM 846 N LEU B 27 133.707 6.978 11.254 1.00 0.00 N ATOM 847 CA LEU B 27 135.067 6.913 11.770 1.00 0.00 C ATOM 848 C LEU B 27 135.339 8.046 12.754 1.00 0.00 C ATOM 849 O LEU B 27 134.574 9.033 12.747 1.00 0.00 O ATOM 850 CB LEU B 27 136.059 6.967 10.614 1.00 0.00 C ATOM 851 CG LEU B 27 135.598 6.254 9.344 1.00 0.00 C ATOM 852 CD1 LEU B 27 136.677 6.277 8.296 1.00 0.00 C ATOM 853 CD2 LEU B 27 135.215 4.812 9.619 1.00 0.00 C ATOM 854 OXT LEU B 27 136.315 7.937 13.526 1.00 0.00 O ATOM 0 H LEU B 27 133.522 7.769 10.637 1.00 0.00 H new ATOM 0 HA LEU B 27 135.187 5.971 12.305 1.00 0.00 H new ATOM 0 HB2 LEU B 27 136.261 8.011 10.375 1.00 0.00 H new ATOM 0 HB3 LEU B 27 137.001 6.526 10.940 1.00 0.00 H new ATOM 0 HG LEU B 27 134.721 6.790 8.982 1.00 0.00 H new ATOM 0 HD11 LEU B 27 136.326 5.763 7.401 1.00 0.00 H new ATOM 0 HD12 LEU B 27 136.922 7.310 8.049 1.00 0.00 H new ATOM 0 HD13 LEU B 27 137.566 5.774 8.678 1.00 0.00 H new ATOM 0 HD21 LEU B 27 134.893 4.338 8.692 1.00 0.00 H new ATOM 0 HD22 LEU B 27 136.076 4.277 10.020 1.00 0.00 H new ATOM 0 HD23 LEU B 27 134.401 4.784 10.343 1.00 0.00 H new TER 866 LEU B 27 ATOM 867 N GLY C 1 122.241 6.051 -12.487 1.00 0.00 N ATOM 868 CA GLY C 1 121.163 5.330 -11.758 1.00 0.00 C ATOM 869 C GLY C 1 121.701 4.284 -10.803 1.00 0.00 C ATOM 870 O GLY C 1 121.481 4.369 -9.595 1.00 0.00 O ATOM 0 H1 GLY C 1 121.818 6.754 -13.126 1.00 0.00 H new ATOM 0 H2 GLY C 1 122.860 6.532 -11.804 1.00 0.00 H new ATOM 0 H3 GLY C 1 122.800 5.371 -13.042 1.00 0.00 H new ATOM 0 HA2 GLY C 1 120.562 6.050 -11.201 1.00 0.00 H new ATOM 0 HA3 GLY C 1 120.500 4.851 -12.479 1.00 0.00 H new ATOM 876 N TYR C 2 122.395 3.285 -11.342 1.00 0.00 N ATOM 877 CA TYR C 2 122.954 2.209 -10.521 1.00 0.00 C ATOM 878 C TYR C 2 124.480 2.130 -10.654 1.00 0.00 C ATOM 879 O TYR C 2 125.036 2.385 -11.722 1.00 0.00 O ATOM 880 CB TYR C 2 122.314 0.866 -10.889 1.00 0.00 C ATOM 881 CG TYR C 2 120.977 0.604 -10.217 1.00 0.00 C ATOM 882 CD1 TYR C 2 120.011 1.601 -10.129 1.00 0.00 C ATOM 883 CD2 TYR C 2 120.673 -0.645 -9.683 1.00 0.00 C ATOM 884 CE1 TYR C 2 118.788 1.365 -9.528 1.00 0.00 C ATOM 885 CE2 TYR C 2 119.449 -0.886 -9.084 1.00 0.00 C ATOM 886 CZ TYR C 2 118.513 0.120 -9.008 1.00 0.00 C ATOM 887 OH TYR C 2 117.295 -0.120 -8.412 1.00 0.00 O ATOM 0 H TYR C 2 122.585 3.196 -12.340 1.00 0.00 H new ATOM 0 HA TYR C 2 122.725 2.435 -9.480 1.00 0.00 H new ATOM 0 HB2 TYR C 2 122.178 0.826 -11.970 1.00 0.00 H new ATOM 0 HB3 TYR C 2 123.003 0.064 -10.625 1.00 0.00 H new ATOM 0 HD1 TYR C 2 120.220 2.578 -10.538 1.00 0.00 H new ATOM 0 HD2 TYR C 2 121.404 -1.438 -9.737 1.00 0.00 H new ATOM 0 HE1 TYR C 2 118.052 2.153 -9.467 1.00 0.00 H new ATOM 0 HE2 TYR C 2 119.229 -1.862 -8.677 1.00 0.00 H new ATOM 0 HH TYR C 2 117.427 -0.655 -7.602 1.00 0.00 H new ATOM 897 N ILE C 3 125.145 1.749 -9.561 1.00 0.00 N ATOM 898 CA ILE C 3 126.603 1.602 -9.541 1.00 0.00 C ATOM 899 C ILE C 3 126.996 0.192 -9.873 1.00 0.00 C ATOM 900 O ILE C 3 126.209 -0.725 -9.696 1.00 0.00 O ATOM 901 CB ILE C 3 127.260 1.883 -8.189 1.00 0.00 C ATOM 902 CG1 ILE C 3 126.404 1.372 -7.036 1.00 0.00 C ATOM 903 CG2 ILE C 3 127.606 3.345 -8.017 1.00 0.00 C ATOM 904 CD1 ILE C 3 126.884 1.828 -5.679 1.00 0.00 C ATOM 0 H ILE C 3 124.693 1.535 -8.672 1.00 0.00 H new ATOM 0 HA ILE C 3 126.944 2.338 -10.270 1.00 0.00 H new ATOM 0 HB ILE C 3 128.200 1.331 -8.172 1.00 0.00 H new ATOM 0 HG12 ILE C 3 125.377 1.707 -7.180 1.00 0.00 H new ATOM 0 HG13 ILE C 3 126.390 0.282 -7.060 1.00 0.00 H new ATOM 0 HG21 ILE C 3 128.070 3.497 -7.043 1.00 0.00 H new ATOM 0 HG22 ILE C 3 128.300 3.649 -8.801 1.00 0.00 H new ATOM 0 HG23 ILE C 3 126.698 3.944 -8.084 1.00 0.00 H new ATOM 0 HD11 ILE C 3 126.227 1.427 -4.907 1.00 0.00 H new ATOM 0 HD12 ILE C 3 127.900 1.470 -5.513 1.00 0.00 H new ATOM 0 HD13 ILE C 3 126.871 2.917 -5.636 1.00 0.00 H new ATOM 916 N PRO C 4 128.233 -0.016 -10.319 1.00 0.00 N ATOM 917 CA PRO C 4 128.715 -1.337 -10.635 1.00 0.00 C ATOM 918 C PRO C 4 129.291 -2.054 -9.416 1.00 0.00 C ATOM 919 O PRO C 4 129.831 -1.441 -8.497 1.00 0.00 O ATOM 920 CB PRO C 4 129.767 -1.065 -11.696 1.00 0.00 C ATOM 921 CG PRO C 4 130.348 0.260 -11.298 1.00 0.00 C ATOM 922 CD PRO C 4 129.273 1.003 -10.523 1.00 0.00 C ATOM 0 HA PRO C 4 127.927 -2.008 -10.977 1.00 0.00 H new ATOM 0 HB2 PRO C 4 130.528 -1.846 -11.714 1.00 0.00 H new ATOM 0 HB3 PRO C 4 129.328 -1.025 -12.693 1.00 0.00 H new ATOM 0 HG2 PRO C 4 131.239 0.122 -10.685 1.00 0.00 H new ATOM 0 HG3 PRO C 4 130.651 0.828 -12.178 1.00 0.00 H new ATOM 0 HD2 PRO C 4 129.653 1.385 -9.575 1.00 0.00 H new ATOM 0 HD3 PRO C 4 128.893 1.858 -11.082 1.00 0.00 H new ATOM 930 N GLU C 5 129.103 -3.369 -9.429 1.00 0.00 N ATOM 931 CA GLU C 5 129.513 -4.266 -8.355 1.00 0.00 C ATOM 932 C GLU C 5 131.011 -4.197 -8.041 1.00 0.00 C ATOM 933 O GLU C 5 131.846 -4.051 -8.933 1.00 0.00 O ATOM 934 CB GLU C 5 129.119 -5.707 -8.716 1.00 0.00 C ATOM 935 CG GLU C 5 129.835 -6.779 -7.906 1.00 0.00 C ATOM 936 CD GLU C 5 128.898 -7.878 -7.448 1.00 0.00 C ATOM 937 OE1 GLU C 5 128.527 -8.726 -8.286 1.00 0.00 O ATOM 938 OE2 GLU C 5 128.532 -7.887 -6.252 1.00 0.00 O ATOM 0 H GLU C 5 128.651 -3.852 -10.205 1.00 0.00 H new ATOM 0 HA GLU C 5 128.995 -3.940 -7.453 1.00 0.00 H new ATOM 0 HB2 GLU C 5 128.044 -5.822 -8.577 1.00 0.00 H new ATOM 0 HB3 GLU C 5 129.323 -5.872 -9.774 1.00 0.00 H new ATOM 0 HG2 GLU C 5 130.633 -7.213 -8.508 1.00 0.00 H new ATOM 0 HG3 GLU C 5 130.305 -6.320 -7.036 1.00 0.00 H new ATOM 945 N ALA C 6 131.326 -4.321 -6.749 1.00 0.00 N ATOM 946 CA ALA C 6 132.705 -4.297 -6.262 1.00 0.00 C ATOM 947 C ALA C 6 133.351 -5.687 -6.340 1.00 0.00 C ATOM 948 O ALA C 6 132.663 -6.706 -6.282 1.00 0.00 O ATOM 949 CB ALA C 6 132.739 -3.783 -4.825 1.00 0.00 C ATOM 0 H ALA C 6 130.631 -4.441 -6.012 1.00 0.00 H new ATOM 0 HA ALA C 6 133.278 -3.626 -6.902 1.00 0.00 H new ATOM 0 HB1 ALA C 6 133.769 -3.768 -4.468 1.00 0.00 H new ATOM 0 HB2 ALA C 6 132.328 -2.774 -4.790 1.00 0.00 H new ATOM 0 HB3 ALA C 6 132.145 -4.440 -4.190 1.00 0.00 H new ATOM 955 N PRO C 7 134.694 -5.738 -6.464 1.00 0.00 N ATOM 956 CA PRO C 7 135.449 -7.002 -6.540 1.00 0.00 C ATOM 957 C PRO C 7 135.079 -7.985 -5.432 1.00 0.00 C ATOM 958 O PRO C 7 134.639 -7.582 -4.354 1.00 0.00 O ATOM 959 CB PRO C 7 136.900 -6.550 -6.366 1.00 0.00 C ATOM 960 CG PRO C 7 136.922 -5.152 -6.876 1.00 0.00 C ATOM 961 CD PRO C 7 135.584 -4.563 -6.526 1.00 0.00 C ATOM 0 HA PRO C 7 135.246 -7.533 -7.470 1.00 0.00 H new ATOM 0 HB2 PRO C 7 137.207 -6.596 -5.321 1.00 0.00 H new ATOM 0 HB3 PRO C 7 137.584 -7.187 -6.927 1.00 0.00 H new ATOM 0 HG2 PRO C 7 137.731 -4.582 -6.419 1.00 0.00 H new ATOM 0 HG3 PRO C 7 137.088 -5.132 -7.953 1.00 0.00 H new ATOM 0 HD2 PRO C 7 135.616 -4.033 -5.574 1.00 0.00 H new ATOM 0 HD3 PRO C 7 135.252 -3.847 -7.278 1.00 0.00 H new ATOM 969 N ARG C 8 135.264 -9.278 -5.700 1.00 0.00 N ATOM 970 CA ARG C 8 134.958 -10.322 -4.726 1.00 0.00 C ATOM 971 C ARG C 8 136.220 -11.032 -4.241 1.00 0.00 C ATOM 972 O ARG C 8 136.343 -12.252 -4.355 1.00 0.00 O ATOM 973 CB ARG C 8 133.994 -11.328 -5.321 1.00 0.00 C ATOM 974 CG ARG C 8 132.540 -10.883 -5.267 1.00 0.00 C ATOM 975 CD ARG C 8 131.592 -12.072 -5.244 1.00 0.00 C ATOM 976 NE ARG C 8 130.238 -11.710 -5.658 1.00 0.00 N ATOM 977 CZ ARG C 8 129.920 -11.285 -6.878 1.00 0.00 C ATOM 978 NH1 ARG C 8 130.852 -11.174 -7.816 1.00 0.00 N ATOM 979 NH2 ARG C 8 128.663 -10.976 -7.161 1.00 0.00 N ATOM 0 H ARG C 8 135.626 -9.627 -6.588 1.00 0.00 H new ATOM 0 HA ARG C 8 134.494 -9.841 -3.865 1.00 0.00 H new ATOM 0 HB2 ARG C 8 134.270 -11.514 -6.359 1.00 0.00 H new ATOM 0 HB3 ARG C 8 134.096 -12.274 -4.790 1.00 0.00 H new ATOM 0 HG2 ARG C 8 132.379 -10.271 -4.380 1.00 0.00 H new ATOM 0 HG3 ARG C 8 132.318 -10.256 -6.131 1.00 0.00 H new ATOM 0 HD2 ARG C 8 131.975 -12.852 -5.903 1.00 0.00 H new ATOM 0 HD3 ARG C 8 131.562 -12.491 -4.238 1.00 0.00 H new ATOM 0 HE ARG C 8 129.490 -11.788 -4.969 1.00 0.00 H new ATOM 0 HH11 ARG C 8 131.820 -11.415 -7.604 1.00 0.00 H new ATOM 0 HH12 ARG C 8 130.600 -10.847 -8.749 1.00 0.00 H new ATOM 0 HH21 ARG C 8 127.942 -11.064 -6.444 1.00 0.00 H new ATOM 0 HH22 ARG C 8 128.416 -10.650 -8.095 1.00 0.00 H new ATOM 993 N ASP C 9 137.148 -10.264 -3.695 1.00 0.00 N ATOM 994 CA ASP C 9 138.400 -10.814 -3.180 1.00 0.00 C ATOM 995 C ASP C 9 138.403 -10.841 -1.654 1.00 0.00 C ATOM 996 O ASP C 9 139.458 -10.952 -1.029 1.00 0.00 O ATOM 997 CB ASP C 9 139.595 -9.992 -3.652 1.00 0.00 C ATOM 998 CG ASP C 9 139.466 -8.529 -3.289 1.00 0.00 C ATOM 999 OD1 ASP C 9 139.708 -8.189 -2.114 1.00 0.00 O ATOM 1000 OD2 ASP C 9 139.123 -7.724 -4.180 1.00 0.00 O ATOM 0 H ASP C 9 137.061 -9.253 -3.595 1.00 0.00 H new ATOM 0 HA ASP C 9 138.481 -11.831 -3.563 1.00 0.00 H new ATOM 0 HB2 ASP C 9 140.507 -10.394 -3.211 1.00 0.00 H new ATOM 0 HB3 ASP C 9 139.695 -10.088 -4.733 1.00 0.00 H new ATOM 1005 N GLY C 10 137.223 -10.755 -1.063 1.00 0.00 N ATOM 1006 CA GLY C 10 137.112 -10.789 0.384 1.00 0.00 C ATOM 1007 C GLY C 10 137.425 -9.463 1.048 1.00 0.00 C ATOM 1008 O GLY C 10 137.542 -9.400 2.272 1.00 0.00 O ATOM 0 H GLY C 10 136.336 -10.662 -1.558 1.00 0.00 H new ATOM 0 HA2 GLY C 10 136.101 -11.092 0.655 1.00 0.00 H new ATOM 0 HA3 GLY C 10 137.788 -11.550 0.774 1.00 0.00 H new ATOM 1012 N GLN C 11 137.547 -8.393 0.265 1.00 0.00 N ATOM 1013 CA GLN C 11 137.824 -7.085 0.843 1.00 0.00 C ATOM 1014 C GLN C 11 136.559 -6.262 0.842 1.00 0.00 C ATOM 1015 O GLN C 11 135.665 -6.479 0.026 1.00 0.00 O ATOM 1016 CB GLN C 11 138.904 -6.329 0.070 1.00 0.00 C ATOM 1017 CG GLN C 11 140.338 -6.417 0.620 1.00 0.00 C ATOM 1018 CD GLN C 11 140.554 -7.415 1.746 1.00 0.00 C ATOM 1019 OE1 GLN C 11 139.951 -7.159 2.893 1.00 0.00 O flip ATOM 1020 NE2 GLN C 11 141.261 -8.409 1.577 1.00 0.00 N flip ATOM 0 H GLN C 11 137.460 -8.406 -0.751 1.00 0.00 H new ATOM 0 HA GLN C 11 138.186 -7.245 1.859 1.00 0.00 H new ATOM 0 HB2 GLN C 11 138.910 -6.698 -0.955 1.00 0.00 H new ATOM 0 HB3 GLN C 11 138.620 -5.278 0.028 1.00 0.00 H new ATOM 0 HG2 GLN C 11 141.007 -6.674 -0.201 1.00 0.00 H new ATOM 0 HG3 GLN C 11 140.633 -5.429 0.974 1.00 0.00 H new ATOM 0 HE21 GLN C 11 141.709 -8.569 0.675 1.00 0.00 H new ATOM 0 HE22 GLN C 11 141.399 -9.072 2.339 1.00 0.00 H new ATOM 1029 N ALA C 12 136.487 -5.321 1.760 1.00 0.00 N ATOM 1030 CA ALA C 12 135.333 -4.458 1.889 1.00 0.00 C ATOM 1031 C ALA C 12 135.527 -3.157 1.170 1.00 0.00 C ATOM 1032 O ALA C 12 136.568 -2.517 1.272 1.00 0.00 O ATOM 1033 CB ALA C 12 134.993 -4.217 3.349 1.00 0.00 C ATOM 0 H ALA C 12 137.226 -5.133 2.437 1.00 0.00 H new ATOM 0 HA ALA C 12 134.494 -4.971 1.420 1.00 0.00 H new ATOM 0 HB1 ALA C 12 134.122 -3.565 3.417 1.00 0.00 H new ATOM 0 HB2 ALA C 12 134.773 -5.168 3.833 1.00 0.00 H new ATOM 0 HB3 ALA C 12 135.840 -3.744 3.846 1.00 0.00 H new ATOM 1039 N TYR C 13 134.509 -2.771 0.437 1.00 0.00 N ATOM 1040 CA TYR C 13 134.555 -1.549 -0.317 1.00 0.00 C ATOM 1041 C TYR C 13 133.507 -0.566 0.145 1.00 0.00 C ATOM 1042 O TYR C 13 132.466 -0.927 0.695 1.00 0.00 O ATOM 1043 CB TYR C 13 134.358 -1.832 -1.783 1.00 0.00 C ATOM 1044 CG TYR C 13 135.593 -2.423 -2.388 1.00 0.00 C ATOM 1045 CD1 TYR C 13 136.718 -1.646 -2.562 1.00 0.00 C ATOM 1046 CD2 TYR C 13 135.646 -3.747 -2.742 1.00 0.00 C ATOM 1047 CE1 TYR C 13 137.872 -2.173 -3.081 1.00 0.00 C ATOM 1048 CE2 TYR C 13 136.799 -4.300 -3.263 1.00 0.00 C ATOM 1049 CZ TYR C 13 137.916 -3.506 -3.431 1.00 0.00 C ATOM 1050 OH TYR C 13 139.074 -4.041 -3.949 1.00 0.00 O ATOM 0 H TYR C 13 133.636 -3.292 0.349 1.00 0.00 H new ATOM 0 HA TYR C 13 135.537 -1.105 -0.154 1.00 0.00 H new ATOM 0 HB2 TYR C 13 133.521 -2.517 -1.915 1.00 0.00 H new ATOM 0 HB3 TYR C 13 134.100 -0.910 -2.303 1.00 0.00 H new ATOM 0 HD1 TYR C 13 136.690 -0.603 -2.284 1.00 0.00 H new ATOM 0 HD2 TYR C 13 134.772 -4.367 -2.611 1.00 0.00 H new ATOM 0 HE1 TYR C 13 138.742 -1.548 -3.215 1.00 0.00 H new ATOM 0 HE2 TYR C 13 136.827 -5.344 -3.537 1.00 0.00 H new ATOM 0 HH TYR C 13 138.937 -4.992 -4.142 1.00 0.00 H new ATOM 1060 N VAL C 14 133.817 0.673 -0.103 1.00 0.00 N ATOM 1061 CA VAL C 14 132.983 1.794 0.232 1.00 0.00 C ATOM 1062 C VAL C 14 132.650 2.446 -1.073 1.00 0.00 C ATOM 1063 O VAL C 14 133.361 2.245 -2.058 1.00 0.00 O ATOM 1064 CB VAL C 14 133.790 2.719 1.158 1.00 0.00 C ATOM 1065 CG1 VAL C 14 132.948 3.568 2.093 1.00 0.00 C ATOM 1066 CG2 VAL C 14 134.759 1.834 1.941 1.00 0.00 C ATOM 0 H VAL C 14 134.688 0.942 -0.560 1.00 0.00 H new ATOM 0 HA VAL C 14 132.065 1.527 0.755 1.00 0.00 H new ATOM 0 HB VAL C 14 134.313 3.449 0.540 1.00 0.00 H new ATOM 0 HG11 VAL C 14 133.600 4.188 2.708 1.00 0.00 H new ATOM 0 HG12 VAL C 14 132.286 4.206 1.508 1.00 0.00 H new ATOM 0 HG13 VAL C 14 132.352 2.920 2.736 1.00 0.00 H new ATOM 0 HG21 VAL C 14 135.354 2.452 2.613 1.00 0.00 H new ATOM 0 HG22 VAL C 14 134.196 1.104 2.522 1.00 0.00 H new ATOM 0 HG23 VAL C 14 135.419 1.314 1.247 1.00 0.00 H new ATOM 1076 N ARG C 15 131.572 3.177 -1.131 1.00 0.00 N ATOM 1077 CA ARG C 15 131.204 3.756 -2.390 1.00 0.00 C ATOM 1078 C ARG C 15 131.519 5.238 -2.389 1.00 0.00 C ATOM 1079 O ARG C 15 130.868 6.045 -1.728 1.00 0.00 O ATOM 1080 CB ARG C 15 129.729 3.440 -2.690 1.00 0.00 C ATOM 1081 CG ARG C 15 129.421 2.956 -4.101 1.00 0.00 C ATOM 1082 CD ARG C 15 130.403 3.438 -5.142 1.00 0.00 C ATOM 1083 NE ARG C 15 129.742 4.244 -6.170 1.00 0.00 N ATOM 1084 CZ ARG C 15 129.385 5.521 -5.992 1.00 0.00 C ATOM 1085 NH1 ARG C 15 129.831 6.192 -4.944 1.00 0.00 N ATOM 1086 NH2 ARG C 15 128.613 6.136 -6.857 1.00 0.00 N ATOM 0 H ARG C 15 130.951 3.381 -0.348 1.00 0.00 H new ATOM 0 HA ARG C 15 131.789 3.319 -3.199 1.00 0.00 H new ATOM 0 HB2 ARG C 15 129.391 2.680 -1.985 1.00 0.00 H new ATOM 0 HB3 ARG C 15 129.140 4.337 -2.499 1.00 0.00 H new ATOM 0 HG2 ARG C 15 129.408 1.866 -4.106 1.00 0.00 H new ATOM 0 HG3 ARG C 15 128.421 3.288 -4.378 1.00 0.00 H new ATOM 0 HD2 ARG C 15 131.184 4.028 -4.662 1.00 0.00 H new ATOM 0 HD3 ARG C 15 130.891 2.582 -5.607 1.00 0.00 H new ATOM 0 HE ARG C 15 129.543 3.808 -7.071 1.00 0.00 H new ATOM 0 HH11 ARG C 15 130.447 5.736 -4.271 1.00 0.00 H new ATOM 0 HH12 ARG C 15 129.559 7.166 -4.808 1.00 0.00 H new ATOM 0 HH21 ARG C 15 128.275 5.640 -7.682 1.00 0.00 H new ATOM 0 HH22 ARG C 15 128.351 7.110 -6.705 1.00 0.00 H new ATOM 1100 N LYS C 16 132.560 5.558 -3.163 1.00 0.00 N ATOM 1101 CA LYS C 16 133.050 6.917 -3.314 1.00 0.00 C ATOM 1102 C LYS C 16 133.363 7.241 -4.764 1.00 0.00 C ATOM 1103 O LYS C 16 134.229 6.604 -5.366 1.00 0.00 O ATOM 1104 CB LYS C 16 134.294 7.113 -2.439 1.00 0.00 C ATOM 1105 CG LYS C 16 135.437 7.882 -3.081 1.00 0.00 C ATOM 1106 CD LYS C 16 136.610 7.983 -2.116 1.00 0.00 C ATOM 1107 CE LYS C 16 136.604 9.296 -1.353 1.00 0.00 C ATOM 1108 NZ LYS C 16 136.995 9.127 0.072 1.00 0.00 N ATOM 0 H LYS C 16 133.085 4.871 -3.703 1.00 0.00 H new ATOM 0 HA LYS C 16 132.266 7.602 -2.991 1.00 0.00 H new ATOM 0 HB2 LYS C 16 133.997 7.633 -1.528 1.00 0.00 H new ATOM 0 HB3 LYS C 16 134.663 6.132 -2.140 1.00 0.00 H new ATOM 0 HG2 LYS C 16 135.752 7.382 -3.997 1.00 0.00 H new ATOM 0 HG3 LYS C 16 135.101 8.880 -3.362 1.00 0.00 H new ATOM 0 HD2 LYS C 16 136.572 7.153 -1.411 1.00 0.00 H new ATOM 0 HD3 LYS C 16 137.544 7.889 -2.669 1.00 0.00 H new ATOM 0 HE2 LYS C 16 137.288 9.995 -1.834 1.00 0.00 H new ATOM 0 HE3 LYS C 16 135.609 9.738 -1.404 1.00 0.00 H new ATOM 0 HZ1 LYS C 16 136.617 9.918 0.632 1.00 0.00 H new ATOM 0 HZ2 LYS C 16 136.610 8.231 0.434 1.00 0.00 H new ATOM 0 HZ3 LYS C 16 138.032 9.113 0.148 1.00 0.00 H new ATOM 1122 N ASP C 17 132.719 8.255 -5.314 1.00 0.00 N ATOM 1123 CA ASP C 17 133.018 8.662 -6.672 1.00 0.00 C ATOM 1124 C ASP C 17 132.823 7.521 -7.668 1.00 0.00 C ATOM 1125 O ASP C 17 133.659 7.301 -8.544 1.00 0.00 O ATOM 1126 CB ASP C 17 134.459 9.189 -6.727 1.00 0.00 C ATOM 1127 CG ASP C 17 134.512 10.627 -7.191 1.00 0.00 C ATOM 1128 OD1 ASP C 17 133.635 11.409 -6.768 1.00 0.00 O ATOM 1129 OD2 ASP C 17 135.423 10.970 -7.972 1.00 0.00 O ATOM 0 H ASP C 17 131.996 8.804 -4.848 1.00 0.00 H new ATOM 0 HA ASP C 17 132.322 9.450 -6.959 1.00 0.00 H new ATOM 0 HB2 ASP C 17 134.914 9.108 -5.740 1.00 0.00 H new ATOM 0 HB3 ASP C 17 135.048 8.567 -7.401 1.00 0.00 H new ATOM 1134 N GLY C 18 131.707 6.812 -7.546 1.00 0.00 N ATOM 1135 CA GLY C 18 131.397 5.720 -8.448 1.00 0.00 C ATOM 1136 C GLY C 18 132.386 4.570 -8.412 1.00 0.00 C ATOM 1137 O GLY C 18 132.380 3.733 -9.315 1.00 0.00 O ATOM 0 H GLY C 18 131.002 6.978 -6.827 1.00 0.00 H new ATOM 0 HA2 GLY C 18 130.406 5.337 -8.206 1.00 0.00 H new ATOM 0 HA3 GLY C 18 131.349 6.109 -9.465 1.00 0.00 H new ATOM 1141 N GLU C 19 133.245 4.507 -7.395 1.00 0.00 N ATOM 1142 CA GLU C 19 134.214 3.430 -7.324 1.00 0.00 C ATOM 1143 C GLU C 19 134.211 2.761 -5.964 1.00 0.00 C ATOM 1144 O GLU C 19 133.712 3.309 -4.981 1.00 0.00 O ATOM 1145 CB GLU C 19 135.603 3.973 -7.618 1.00 0.00 C ATOM 1146 CG GLU C 19 135.812 4.338 -9.079 1.00 0.00 C ATOM 1147 CD GLU C 19 137.276 4.471 -9.448 1.00 0.00 C ATOM 1148 OE1 GLU C 19 137.998 5.217 -8.753 1.00 0.00 O ATOM 1149 OE2 GLU C 19 137.700 3.833 -10.434 1.00 0.00 O ATOM 0 H GLU C 19 133.286 5.177 -6.627 1.00 0.00 H new ATOM 0 HA GLU C 19 133.937 2.683 -8.068 1.00 0.00 H new ATOM 0 HB2 GLU C 19 135.778 4.855 -7.002 1.00 0.00 H new ATOM 0 HB3 GLU C 19 136.345 3.229 -7.327 1.00 0.00 H new ATOM 0 HG2 GLU C 19 135.351 3.577 -9.708 1.00 0.00 H new ATOM 0 HG3 GLU C 19 135.302 5.278 -9.290 1.00 0.00 H new ATOM 1156 N TRP C 20 134.777 1.565 -5.924 1.00 0.00 N ATOM 1157 CA TRP C 20 134.853 0.800 -4.700 1.00 0.00 C ATOM 1158 C TRP C 20 136.196 1.000 -4.025 1.00 0.00 C ATOM 1159 O TRP C 20 137.245 0.641 -4.561 1.00 0.00 O ATOM 1160 CB TRP C 20 134.561 -0.673 -4.966 1.00 0.00 C ATOM 1161 CG TRP C 20 133.123 -0.848 -5.297 1.00 0.00 C ATOM 1162 CD1 TRP C 20 132.564 -1.323 -6.450 1.00 0.00 C ATOM 1163 CD2 TRP C 20 132.047 -0.480 -4.447 1.00 0.00 C ATOM 1164 NE1 TRP C 20 131.190 -1.277 -6.350 1.00 0.00 N ATOM 1165 CE2 TRP C 20 130.858 -0.767 -5.126 1.00 0.00 C ATOM 1166 CE3 TRP C 20 131.978 0.061 -3.164 1.00 0.00 C ATOM 1167 CZ2 TRP C 20 129.620 -0.528 -4.563 1.00 0.00 C ATOM 1168 CZ3 TRP C 20 130.752 0.298 -2.614 1.00 0.00 C ATOM 1169 CH2 TRP C 20 129.585 -0.001 -3.310 1.00 0.00 C ATOM 0 H TRP C 20 135.192 1.105 -6.734 1.00 0.00 H new ATOM 0 HA TRP C 20 134.088 1.163 -4.013 1.00 0.00 H new ATOM 0 HB2 TRP C 20 135.180 -1.033 -5.788 1.00 0.00 H new ATOM 0 HB3 TRP C 20 134.817 -1.268 -4.090 1.00 0.00 H new ATOM 0 HD1 TRP C 20 133.114 -1.680 -7.308 1.00 0.00 H new ATOM 0 HE1 TRP C 20 130.531 -1.574 -7.069 1.00 0.00 H new ATOM 0 HE3 TRP C 20 132.880 0.289 -2.615 1.00 0.00 H new ATOM 0 HZ2 TRP C 20 128.710 -0.752 -5.100 1.00 0.00 H new ATOM 0 HZ3 TRP C 20 130.687 0.724 -1.624 1.00 0.00 H new ATOM 0 HH2 TRP C 20 128.629 0.190 -2.844 1.00 0.00 H new ATOM 1180 N VAL C 21 136.145 1.612 -2.852 1.00 0.00 N ATOM 1181 CA VAL C 21 137.334 1.919 -2.079 1.00 0.00 C ATOM 1182 C VAL C 21 137.396 1.090 -0.831 1.00 0.00 C ATOM 1183 O VAL C 21 136.432 0.993 -0.076 1.00 0.00 O ATOM 1184 CB VAL C 21 137.354 3.418 -1.710 1.00 0.00 C ATOM 1185 CG1 VAL C 21 136.898 4.219 -2.898 1.00 0.00 C ATOM 1186 CG2 VAL C 21 136.448 3.707 -0.525 1.00 0.00 C ATOM 0 H VAL C 21 135.275 1.910 -2.410 1.00 0.00 H new ATOM 0 HA VAL C 21 138.204 1.684 -2.692 1.00 0.00 H new ATOM 0 HB VAL C 21 138.371 3.694 -1.432 1.00 0.00 H new ATOM 0 HG11 VAL C 21 136.909 5.280 -2.647 1.00 0.00 H new ATOM 0 HG12 VAL C 21 137.569 4.038 -3.738 1.00 0.00 H new ATOM 0 HG13 VAL C 21 135.886 3.921 -3.171 1.00 0.00 H new ATOM 0 HG21 VAL C 21 136.484 4.771 -0.290 1.00 0.00 H new ATOM 0 HG22 VAL C 21 135.425 3.425 -0.772 1.00 0.00 H new ATOM 0 HG23 VAL C 21 136.784 3.133 0.339 1.00 0.00 H new ATOM 1196 N LEU C 22 138.541 0.489 -0.626 1.00 0.00 N ATOM 1197 CA LEU C 22 138.747 -0.337 0.525 1.00 0.00 C ATOM 1198 C LEU C 22 138.407 0.413 1.806 1.00 0.00 C ATOM 1199 O LEU C 22 138.928 1.498 2.069 1.00 0.00 O ATOM 1200 CB LEU C 22 140.163 -0.852 0.539 1.00 0.00 C ATOM 1201 CG LEU C 22 140.277 -2.356 0.260 1.00 0.00 C ATOM 1202 CD1 LEU C 22 141.555 -2.936 0.817 1.00 0.00 C ATOM 1203 CD2 LEU C 22 139.088 -3.111 0.828 1.00 0.00 C ATOM 0 H LEU C 22 139.346 0.560 -1.248 1.00 0.00 H new ATOM 0 HA LEU C 22 138.074 -1.193 0.470 1.00 0.00 H new ATOM 0 HB2 LEU C 22 140.745 -0.309 -0.206 1.00 0.00 H new ATOM 0 HB3 LEU C 22 140.608 -0.637 1.510 1.00 0.00 H new ATOM 0 HG LEU C 22 140.290 -2.472 -0.824 1.00 0.00 H new ATOM 0 HD11 LEU C 22 141.596 -4.003 0.598 1.00 0.00 H new ATOM 0 HD12 LEU C 22 142.410 -2.438 0.360 1.00 0.00 H new ATOM 0 HD13 LEU C 22 141.583 -2.786 1.896 1.00 0.00 H new ATOM 0 HD21 LEU C 22 139.197 -4.174 0.615 1.00 0.00 H new ATOM 0 HD22 LEU C 22 139.043 -2.960 1.907 1.00 0.00 H new ATOM 0 HD23 LEU C 22 138.170 -2.741 0.371 1.00 0.00 H new ATOM 1215 N LEU C 23 137.520 -0.179 2.590 1.00 0.00 N ATOM 1216 CA LEU C 23 137.077 0.416 3.853 1.00 0.00 C ATOM 1217 C LEU C 23 138.256 0.604 4.805 1.00 0.00 C ATOM 1218 O LEU C 23 138.308 1.581 5.551 1.00 0.00 O ATOM 1219 CB LEU C 23 136.012 -0.481 4.526 1.00 0.00 C ATOM 1220 CG LEU C 23 135.009 0.161 5.463 1.00 0.00 C ATOM 1221 CD1 LEU C 23 134.386 -0.889 6.367 1.00 0.00 C ATOM 1222 CD2 LEU C 23 135.625 1.270 6.281 1.00 0.00 C ATOM 0 H LEU C 23 137.087 -1.077 2.377 1.00 0.00 H new ATOM 0 HA LEU C 23 136.641 1.390 3.631 1.00 0.00 H new ATOM 0 HB2 LEU C 23 135.453 -0.981 3.735 1.00 0.00 H new ATOM 0 HB3 LEU C 23 136.537 -1.256 5.084 1.00 0.00 H new ATOM 0 HG LEU C 23 134.228 0.611 4.849 1.00 0.00 H new ATOM 0 HD11 LEU C 23 133.667 -0.414 7.035 1.00 0.00 H new ATOM 0 HD12 LEU C 23 133.877 -1.637 5.759 1.00 0.00 H new ATOM 0 HD13 LEU C 23 135.166 -1.371 6.957 1.00 0.00 H new ATOM 0 HD21 LEU C 23 134.869 1.701 6.938 1.00 0.00 H new ATOM 0 HD22 LEU C 23 136.441 0.869 6.881 1.00 0.00 H new ATOM 0 HD23 LEU C 23 136.010 2.043 5.615 1.00 0.00 H new ATOM 1234 N SER C 24 139.199 -0.333 4.798 1.00 0.00 N ATOM 1235 CA SER C 24 140.345 -0.254 5.698 1.00 0.00 C ATOM 1236 C SER C 24 141.183 0.978 5.399 1.00 0.00 C ATOM 1237 O SER C 24 141.924 1.450 6.262 1.00 0.00 O ATOM 1238 CB SER C 24 141.208 -1.512 5.568 1.00 0.00 C ATOM 1239 OG SER C 24 141.051 -2.359 6.693 1.00 0.00 O ATOM 0 H SER C 24 139.194 -1.149 4.185 1.00 0.00 H new ATOM 0 HA SER C 24 139.970 -0.180 6.719 1.00 0.00 H new ATOM 0 HB2 SER C 24 140.934 -2.052 4.662 1.00 0.00 H new ATOM 0 HB3 SER C 24 142.256 -1.229 5.466 1.00 0.00 H new ATOM 0 HG SER C 24 141.612 -3.155 6.584 1.00 0.00 H new ATOM 1245 N THR C 25 141.030 1.538 4.207 1.00 0.00 N ATOM 1246 CA THR C 25 141.752 2.753 3.882 1.00 0.00 C ATOM 1247 C THR C 25 141.184 3.898 4.723 1.00 0.00 C ATOM 1248 O THR C 25 141.800 4.952 4.877 1.00 0.00 O ATOM 1249 CB THR C 25 141.629 3.083 2.390 1.00 0.00 C ATOM 1250 OG1 THR C 25 142.251 2.082 1.607 1.00 0.00 O ATOM 1251 CG2 THR C 25 142.235 4.413 1.990 1.00 0.00 C ATOM 0 H THR C 25 140.427 1.179 3.467 1.00 0.00 H new ATOM 0 HA THR C 25 142.810 2.613 4.104 1.00 0.00 H new ATOM 0 HB THR C 25 140.556 3.136 2.208 1.00 0.00 H new ATOM 0 HG1 THR C 25 142.162 2.307 0.657 1.00 0.00 H new ATOM 0 HG21 THR C 25 142.103 4.565 0.919 1.00 0.00 H new ATOM 0 HG22 THR C 25 141.740 5.217 2.535 1.00 0.00 H new ATOM 0 HG23 THR C 25 143.299 4.415 2.229 1.00 0.00 H new ATOM 1259 N PHE C 26 139.974 3.667 5.240 1.00 0.00 N ATOM 1260 CA PHE C 26 139.253 4.642 6.043 1.00 0.00 C ATOM 1261 C PHE C 26 139.368 4.360 7.538 1.00 0.00 C ATOM 1262 O PHE C 26 138.983 5.188 8.357 1.00 0.00 O ATOM 1263 CB PHE C 26 137.791 4.655 5.588 1.00 0.00 C ATOM 1264 CG PHE C 26 137.646 5.178 4.184 1.00 0.00 C ATOM 1265 CD1 PHE C 26 137.956 4.382 3.091 1.00 0.00 C ATOM 1266 CD2 PHE C 26 137.225 6.479 3.961 1.00 0.00 C ATOM 1267 CE1 PHE C 26 137.849 4.876 1.801 1.00 0.00 C ATOM 1268 CE2 PHE C 26 137.111 6.977 2.676 1.00 0.00 C ATOM 1269 CZ PHE C 26 137.425 6.178 1.594 1.00 0.00 C ATOM 0 H PHE C 26 139.469 2.790 5.109 1.00 0.00 H new ATOM 0 HA PHE C 26 139.699 5.625 5.891 1.00 0.00 H new ATOM 0 HB2 PHE C 26 137.384 3.645 5.643 1.00 0.00 H new ATOM 0 HB3 PHE C 26 137.204 5.273 6.268 1.00 0.00 H new ATOM 0 HD1 PHE C 26 138.285 3.365 3.247 1.00 0.00 H new ATOM 0 HD2 PHE C 26 136.983 7.112 4.802 1.00 0.00 H new ATOM 0 HE1 PHE C 26 138.096 4.247 0.959 1.00 0.00 H new ATOM 0 HE2 PHE C 26 136.776 7.992 2.518 1.00 0.00 H new ATOM 0 HZ PHE C 26 137.340 6.567 0.590 1.00 0.00 H new ATOM 1279 N LEU C 27 139.923 3.212 7.905 1.00 0.00 N ATOM 1280 CA LEU C 27 140.082 2.876 9.314 1.00 0.00 C ATOM 1281 C LEU C 27 141.553 2.865 9.715 1.00 0.00 C ATOM 1282 O LEU C 27 142.310 2.041 9.161 1.00 0.00 O ATOM 1283 CB LEU C 27 139.449 1.519 9.604 1.00 0.00 C ATOM 1284 CG LEU C 27 138.191 1.211 8.793 1.00 0.00 C ATOM 1285 CD1 LEU C 27 137.761 -0.216 9.006 1.00 0.00 C ATOM 1286 CD2 LEU C 27 137.046 2.134 9.165 1.00 0.00 C ATOM 1287 OXT LEU C 27 141.935 3.680 10.580 1.00 0.00 O ATOM 0 H LEU C 27 140.267 2.505 7.255 1.00 0.00 H new ATOM 0 HA LEU C 27 139.576 3.641 9.904 1.00 0.00 H new ATOM 0 HB2 LEU C 27 140.188 0.741 9.411 1.00 0.00 H new ATOM 0 HB3 LEU C 27 139.202 1.469 10.664 1.00 0.00 H new ATOM 0 HG LEU C 27 138.439 1.369 7.743 1.00 0.00 H new ATOM 0 HD11 LEU C 27 136.864 -0.417 8.421 1.00 0.00 H new ATOM 0 HD12 LEU C 27 138.559 -0.888 8.689 1.00 0.00 H new ATOM 0 HD13 LEU C 27 137.549 -0.378 10.063 1.00 0.00 H new ATOM 0 HD21 LEU C 27 136.169 1.885 8.568 1.00 0.00 H new ATOM 0 HD22 LEU C 27 136.811 2.014 10.223 1.00 0.00 H new ATOM 0 HD23 LEU C 27 137.334 3.167 8.972 1.00 0.00 H new TER 1299 LEU C 27