USER MOD reduce.3.24.130724 H: found=0, std=0, add=633, rem=0, adj=13 USER MOD reduce.3.24.130724 removed 634 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 2 TYR OH : rot 180:sc= 0 USER MOD Single : A 11 GLN : amide:sc= -0.942 K(o=-0.94,f=-1.8) USER MOD Single : A 13 TYR OH : rot 180:sc= 0 USER MOD Single : A 16 LYS NZ :NH3+ 151:sc= 0.00317 (180deg=-0.373) USER MOD Single : A 24 SER OG : rot 180:sc= 0.0178 USER MOD Single : A 25 THR OG1 : rot 180:sc= 0 USER MOD Single : B 1 GLY N :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : B 2 TYR OH : rot -151:sc= 0.194 USER MOD Single : B 11 GLN : amide:sc= -3.4! C(o=-3.4!,f=-9!) 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 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 -146:sc= 0.179 USER MOD Single : C 11 GLN : amide:sc= -2.45 K(o=-2.5,f=-10!) USER MOD Single : C 13 TYR OH : rot 180:sc=-0.00198 USER MOD Single : C 16 LYS NZ :NH3+ 180:sc= 0 (180deg=0) 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 10 N TYR A 2 126.116 -4.301 -11.778 1.00 0.00 N ATOM 11 CA TYR A 2 125.916 -3.722 -10.452 1.00 0.00 C ATOM 12 C TYR A 2 125.817 -4.789 -9.359 1.00 0.00 C ATOM 13 O TYR A 2 125.814 -5.990 -9.629 1.00 0.00 O ATOM 14 CB TYR A 2 124.647 -2.880 -10.416 1.00 0.00 C ATOM 15 CG TYR A 2 124.466 -1.900 -11.556 1.00 0.00 C ATOM 16 CD1 TYR A 2 125.447 -0.973 -11.877 1.00 0.00 C ATOM 17 CD2 TYR A 2 123.292 -1.888 -12.294 1.00 0.00 C ATOM 18 CE1 TYR A 2 125.267 -0.067 -12.903 1.00 0.00 C ATOM 19 CE2 TYR A 2 123.101 -0.984 -13.320 1.00 0.00 C ATOM 20 CZ TYR A 2 124.091 -0.076 -13.622 1.00 0.00 C ATOM 21 OH TYR A 2 123.902 0.830 -14.643 1.00 0.00 O ATOM 0 HA TYR A 2 126.790 -3.101 -10.257 1.00 0.00 H new ATOM 0 HB2 TYR A 2 123.789 -3.552 -10.402 1.00 0.00 H new ATOM 0 HB3 TYR A 2 124.631 -2.323 -9.479 1.00 0.00 H new ATOM 0 HD1 TYR A 2 126.368 -0.960 -11.314 1.00 0.00 H new ATOM 0 HD2 TYR A 2 122.513 -2.599 -12.062 1.00 0.00 H new ATOM 0 HE1 TYR A 2 126.043 0.645 -13.141 1.00 0.00 H new ATOM 0 HE2 TYR A 2 122.179 -0.989 -13.883 1.00 0.00 H new ATOM 0 HH TYR A 2 123.021 0.688 -15.048 1.00 0.00 H new ATOM 31 N ILE A 3 125.705 -4.310 -8.122 1.00 0.00 N ATOM 32 CA ILE A 3 125.563 -5.160 -6.936 1.00 0.00 C ATOM 33 C ILE A 3 124.137 -5.152 -6.419 1.00 0.00 C ATOM 34 O ILE A 3 123.379 -4.216 -6.678 1.00 0.00 O ATOM 35 CB ILE A 3 126.415 -4.701 -5.749 1.00 0.00 C ATOM 36 CG1 ILE A 3 126.586 -3.189 -5.756 1.00 0.00 C ATOM 37 CG2 ILE A 3 127.755 -5.400 -5.701 1.00 0.00 C ATOM 38 CD1 ILE A 3 127.453 -2.664 -4.636 1.00 0.00 C ATOM 0 H ILE A 3 125.710 -3.312 -7.910 1.00 0.00 H new ATOM 0 HA ILE A 3 125.882 -6.145 -7.278 1.00 0.00 H new ATOM 0 HB ILE A 3 125.879 -4.982 -4.842 1.00 0.00 H new ATOM 0 HG12 ILE A 3 127.019 -2.887 -6.709 1.00 0.00 H new ATOM 0 HG13 ILE A 3 125.603 -2.722 -5.690 1.00 0.00 H new ATOM 0 HG21 ILE A 3 128.322 -5.041 -4.842 1.00 0.00 H new ATOM 0 HG22 ILE A 3 127.601 -6.475 -5.610 1.00 0.00 H new ATOM 0 HG23 ILE A 3 128.309 -5.188 -6.616 1.00 0.00 H new ATOM 0 HD11 ILE A 3 127.526 -1.579 -4.710 1.00 0.00 H new ATOM 0 HD12 ILE A 3 127.011 -2.933 -3.677 1.00 0.00 H new ATOM 0 HD13 ILE A 3 128.449 -3.101 -4.712 1.00 0.00 H new ATOM 50 N PRO A 4 123.763 -6.167 -5.631 1.00 0.00 N ATOM 51 CA PRO A 4 122.451 -6.230 -5.035 1.00 0.00 C ATOM 52 C PRO A 4 122.362 -5.373 -3.769 1.00 0.00 C ATOM 53 O PRO A 4 123.329 -5.207 -3.035 1.00 0.00 O ATOM 54 CB PRO A 4 122.235 -7.717 -4.752 1.00 0.00 C ATOM 55 CG PRO A 4 123.593 -8.362 -4.838 1.00 0.00 C ATOM 56 CD PRO A 4 124.598 -7.296 -5.217 1.00 0.00 C ATOM 0 HA PRO A 4 121.676 -5.827 -5.688 1.00 0.00 H new ATOM 0 HB2 PRO A 4 121.795 -7.866 -3.766 1.00 0.00 H new ATOM 0 HB3 PRO A 4 121.549 -8.156 -5.477 1.00 0.00 H new ATOM 0 HG2 PRO A 4 123.860 -8.815 -3.883 1.00 0.00 H new ATOM 0 HG3 PRO A 4 123.588 -9.161 -5.579 1.00 0.00 H new ATOM 0 HD2 PRO A 4 125.240 -7.033 -4.376 1.00 0.00 H new ATOM 0 HD3 PRO A 4 125.251 -7.629 -6.024 1.00 0.00 H new ATOM 64 N GLU A 5 121.177 -4.791 -3.591 1.00 0.00 N ATOM 65 CA GLU A 5 120.847 -3.869 -2.504 1.00 0.00 C ATOM 66 C GLU A 5 121.067 -4.447 -1.108 1.00 0.00 C ATOM 67 O GLU A 5 120.783 -5.615 -0.842 1.00 0.00 O ATOM 68 CB GLU A 5 119.377 -3.459 -2.665 1.00 0.00 C ATOM 69 CG GLU A 5 118.786 -2.685 -1.495 1.00 0.00 C ATOM 70 CD GLU A 5 117.531 -1.932 -1.890 1.00 0.00 C ATOM 71 OE1 GLU A 5 116.595 -2.573 -2.413 1.00 0.00 O ATOM 72 OE2 GLU A 5 117.485 -0.702 -1.681 1.00 0.00 O ATOM 0 H GLU A 5 120.392 -4.954 -4.222 1.00 0.00 H new ATOM 0 HA GLU A 5 121.523 -3.017 -2.580 1.00 0.00 H new ATOM 0 HB2 GLU A 5 119.283 -2.852 -3.566 1.00 0.00 H new ATOM 0 HB3 GLU A 5 118.781 -4.358 -2.823 1.00 0.00 H new ATOM 0 HG2 GLU A 5 118.555 -3.375 -0.683 1.00 0.00 H new ATOM 0 HG3 GLU A 5 119.526 -1.982 -1.114 1.00 0.00 H new ATOM 79 N ALA A 6 121.551 -3.578 -0.216 1.00 0.00 N ATOM 80 CA ALA A 6 121.793 -3.937 1.174 1.00 0.00 C ATOM 81 C ALA A 6 120.529 -3.721 2.008 1.00 0.00 C ATOM 82 O ALA A 6 119.657 -2.935 1.638 1.00 0.00 O ATOM 83 CB ALA A 6 122.951 -3.127 1.758 1.00 0.00 C ATOM 0 H ALA A 6 121.784 -2.611 -0.441 1.00 0.00 H new ATOM 0 HA ALA A 6 122.064 -4.992 1.206 1.00 0.00 H new ATOM 0 HB1 ALA A 6 123.109 -3.416 2.797 1.00 0.00 H new ATOM 0 HB2 ALA A 6 123.857 -3.323 1.185 1.00 0.00 H new ATOM 0 HB3 ALA A 6 122.713 -2.064 1.709 1.00 0.00 H new ATOM 89 N PRO A 7 120.422 -4.414 3.151 1.00 0.00 N ATOM 90 CA PRO A 7 119.266 -4.297 4.053 1.00 0.00 C ATOM 91 C PRO A 7 118.996 -2.855 4.469 1.00 0.00 C ATOM 92 O PRO A 7 119.916 -2.039 4.536 1.00 0.00 O ATOM 93 CB PRO A 7 119.685 -5.123 5.272 1.00 0.00 C ATOM 94 CG PRO A 7 120.696 -6.084 4.752 1.00 0.00 C ATOM 95 CD PRO A 7 121.428 -5.360 3.661 1.00 0.00 C ATOM 0 HA PRO A 7 118.346 -4.637 3.578 1.00 0.00 H new ATOM 0 HB2 PRO A 7 120.106 -4.490 6.053 1.00 0.00 H new ATOM 0 HB3 PRO A 7 118.833 -5.643 5.709 1.00 0.00 H new ATOM 0 HG2 PRO A 7 121.380 -6.396 5.541 1.00 0.00 H new ATOM 0 HG3 PRO A 7 120.218 -6.986 4.370 1.00 0.00 H new ATOM 0 HD2 PRO A 7 122.310 -4.844 4.041 1.00 0.00 H new ATOM 0 HD3 PRO A 7 121.769 -6.043 2.883 1.00 0.00 H new ATOM 103 N ARG A 8 117.733 -2.542 4.753 1.00 0.00 N ATOM 104 CA ARG A 8 117.356 -1.197 5.167 1.00 0.00 C ATOM 105 C ARG A 8 116.891 -1.154 6.619 1.00 0.00 C ATOM 106 O ARG A 8 115.778 -0.720 6.915 1.00 0.00 O ATOM 107 CB ARG A 8 116.288 -0.637 4.251 1.00 0.00 C ATOM 108 CG ARG A 8 116.738 -0.501 2.808 1.00 0.00 C ATOM 109 CD ARG A 8 115.934 0.551 2.063 1.00 0.00 C ATOM 110 NE ARG A 8 114.745 -0.010 1.424 1.00 0.00 N ATOM 111 CZ ARG A 8 113.754 0.727 0.923 1.00 0.00 C ATOM 112 NH1 ARG A 8 113.803 2.051 0.991 1.00 0.00 N ATOM 113 NH2 ARG A 8 112.712 0.137 0.353 1.00 0.00 N ATOM 0 H ARG A 8 116.957 -3.202 4.703 1.00 0.00 H new ATOM 0 HA ARG A 8 118.247 -0.574 5.092 1.00 0.00 H new ATOM 0 HB2 ARG A 8 115.411 -1.284 4.290 1.00 0.00 H new ATOM 0 HB3 ARG A 8 115.980 0.341 4.621 1.00 0.00 H new ATOM 0 HG2 ARG A 8 117.795 -0.237 2.780 1.00 0.00 H new ATOM 0 HG3 ARG A 8 116.636 -1.462 2.303 1.00 0.00 H new ATOM 0 HD2 ARG A 8 115.634 1.336 2.758 1.00 0.00 H new ATOM 0 HD3 ARG A 8 116.564 1.019 1.306 1.00 0.00 H new ATOM 0 HE ARG A 8 114.669 -1.025 1.358 1.00 0.00 H new ATOM 0 HH11 ARG A 8 114.602 2.510 1.428 1.00 0.00 H new ATOM 0 HH12 ARG A 8 113.042 2.610 0.606 1.00 0.00 H new ATOM 0 HH21 ARG A 8 112.669 -0.881 0.298 1.00 0.00 H new ATOM 0 HH22 ARG A 8 111.953 0.701 -0.030 1.00 0.00 H new ATOM 127 N ASP A 9 117.759 -1.589 7.516 1.00 0.00 N ATOM 128 CA ASP A 9 117.459 -1.591 8.946 1.00 0.00 C ATOM 129 C ASP A 9 118.297 -0.545 9.677 1.00 0.00 C ATOM 130 O ASP A 9 118.450 -0.609 10.896 1.00 0.00 O ATOM 131 CB ASP A 9 117.745 -2.955 9.576 1.00 0.00 C ATOM 132 CG ASP A 9 116.735 -4.007 9.161 1.00 0.00 C ATOM 133 OD1 ASP A 9 116.633 -4.287 7.948 1.00 0.00 O ATOM 134 OD2 ASP A 9 116.045 -4.551 10.049 1.00 0.00 O ATOM 0 H ASP A 9 118.684 -1.948 7.282 1.00 0.00 H new ATOM 0 HA ASP A 9 116.398 -1.360 9.045 1.00 0.00 H new ATOM 0 HB2 ASP A 9 118.745 -3.282 9.290 1.00 0.00 H new ATOM 0 HB3 ASP A 9 117.740 -2.859 10.662 1.00 0.00 H new ATOM 139 N GLY A 10 118.834 0.417 8.935 1.00 0.00 N ATOM 140 CA GLY A 10 119.641 1.451 9.554 1.00 0.00 C ATOM 141 C GLY A 10 121.059 1.002 9.836 1.00 0.00 C ATOM 142 O GLY A 10 121.777 1.660 10.585 1.00 0.00 O ATOM 0 H GLY A 10 118.726 0.499 7.924 1.00 0.00 H new ATOM 0 HA2 GLY A 10 119.665 2.325 8.903 1.00 0.00 H new ATOM 0 HA3 GLY A 10 119.171 1.762 10.487 1.00 0.00 H new ATOM 146 N GLN A 11 121.480 -0.107 9.236 1.00 0.00 N ATOM 147 CA GLN A 11 122.841 -0.580 9.439 1.00 0.00 C ATOM 148 C GLN A 11 123.636 -0.314 8.185 1.00 0.00 C ATOM 149 O GLN A 11 123.119 -0.440 7.076 1.00 0.00 O ATOM 150 CB GLN A 11 122.885 -2.053 9.779 1.00 0.00 C ATOM 151 CG GLN A 11 122.226 -2.414 11.101 1.00 0.00 C ATOM 152 CD GLN A 11 123.034 -3.408 11.911 1.00 0.00 C ATOM 153 OE1 GLN A 11 123.943 -3.038 12.653 1.00 0.00 O ATOM 154 NE2 GLN A 11 122.697 -4.679 11.764 1.00 0.00 N ATOM 0 H GLN A 11 120.910 -0.684 8.617 1.00 0.00 H new ATOM 0 HA GLN A 11 123.271 -0.044 10.285 1.00 0.00 H new ATOM 0 HB2 GLN A 11 122.398 -2.612 8.980 1.00 0.00 H new ATOM 0 HB3 GLN A 11 123.926 -2.376 9.806 1.00 0.00 H new ATOM 0 HG2 GLN A 11 122.081 -1.507 11.688 1.00 0.00 H new ATOM 0 HG3 GLN A 11 121.237 -2.830 10.907 1.00 0.00 H new ATOM 0 HE21 GLN A 11 121.935 -4.935 11.136 1.00 0.00 H new ATOM 0 HE22 GLN A 11 123.199 -5.403 12.279 1.00 0.00 H new ATOM 163 N ALA A 12 124.881 0.085 8.363 1.00 0.00 N ATOM 164 CA ALA A 12 125.746 0.424 7.250 1.00 0.00 C ATOM 165 C ALA A 12 126.539 -0.752 6.775 1.00 0.00 C ATOM 166 O ALA A 12 127.081 -1.533 7.558 1.00 0.00 O ATOM 167 CB ALA A 12 126.662 1.586 7.613 1.00 0.00 C ATOM 0 H ALA A 12 125.319 0.183 9.279 1.00 0.00 H new ATOM 0 HA ALA A 12 125.105 0.733 6.424 1.00 0.00 H new ATOM 0 HB1 ALA A 12 127.302 1.824 6.764 1.00 0.00 H new ATOM 0 HB2 ALA A 12 126.060 2.458 7.869 1.00 0.00 H new ATOM 0 HB3 ALA A 12 127.280 1.309 8.467 1.00 0.00 H new ATOM 173 N TYR A 13 126.573 -0.878 5.466 1.00 0.00 N ATOM 174 CA TYR A 13 127.261 -1.961 4.826 1.00 0.00 C ATOM 175 C TYR A 13 128.359 -1.469 3.922 1.00 0.00 C ATOM 176 O TYR A 13 128.330 -0.361 3.386 1.00 0.00 O ATOM 177 CB TYR A 13 126.283 -2.797 4.038 1.00 0.00 C ATOM 178 CG TYR A 13 125.443 -3.626 4.967 1.00 0.00 C ATOM 179 CD1 TYR A 13 126.001 -4.690 5.641 1.00 0.00 C ATOM 180 CD2 TYR A 13 124.132 -3.307 5.220 1.00 0.00 C ATOM 181 CE1 TYR A 13 125.272 -5.428 6.549 1.00 0.00 C ATOM 182 CE2 TYR A 13 123.385 -4.032 6.129 1.00 0.00 C ATOM 183 CZ TYR A 13 123.962 -5.090 6.796 1.00 0.00 C ATOM 184 OH TYR A 13 123.222 -5.819 7.699 1.00 0.00 O ATOM 0 H TYR A 13 126.122 -0.229 4.822 1.00 0.00 H new ATOM 0 HA TYR A 13 127.720 -2.569 5.605 1.00 0.00 H new ATOM 0 HB2 TYR A 13 125.643 -2.151 3.436 1.00 0.00 H new ATOM 0 HB3 TYR A 13 126.822 -3.445 3.347 1.00 0.00 H new ATOM 0 HD1 TYR A 13 127.032 -4.952 5.454 1.00 0.00 H new ATOM 0 HD2 TYR A 13 123.677 -2.476 4.701 1.00 0.00 H new ATOM 0 HE1 TYR A 13 125.725 -6.264 7.061 1.00 0.00 H new ATOM 0 HE2 TYR A 13 122.354 -3.770 6.315 1.00 0.00 H new ATOM 0 HH TYR A 13 122.317 -5.447 7.756 1.00 0.00 H new ATOM 194 N VAL A 14 129.310 -2.335 3.777 1.00 0.00 N ATOM 195 CA VAL A 14 130.478 -2.134 2.970 1.00 0.00 C ATOM 196 C VAL A 14 130.418 -3.202 1.919 1.00 0.00 C ATOM 197 O VAL A 14 129.883 -4.282 2.172 1.00 0.00 O ATOM 198 CB VAL A 14 131.703 -2.313 3.870 1.00 0.00 C ATOM 199 CG1 VAL A 14 132.871 -1.405 3.538 1.00 0.00 C ATOM 200 CG2 VAL A 14 131.251 -2.119 5.316 1.00 0.00 C ATOM 0 H VAL A 14 129.296 -3.245 4.238 1.00 0.00 H new ATOM 0 HA VAL A 14 130.533 -1.147 2.512 1.00 0.00 H new ATOM 0 HB VAL A 14 132.092 -3.318 3.703 1.00 0.00 H new ATOM 0 HG11 VAL A 14 133.692 -1.602 4.227 1.00 0.00 H new ATOM 0 HG12 VAL A 14 133.200 -1.595 2.516 1.00 0.00 H new ATOM 0 HG13 VAL A 14 132.561 -0.364 3.632 1.00 0.00 H new ATOM 0 HG21 VAL A 14 132.104 -2.241 5.983 1.00 0.00 H new ATOM 0 HG22 VAL A 14 130.836 -1.118 5.436 1.00 0.00 H new ATOM 0 HG23 VAL A 14 130.490 -2.859 5.562 1.00 0.00 H new ATOM 210 N ARG A 15 130.906 -2.924 0.744 1.00 0.00 N ATOM 211 CA ARG A 15 130.813 -3.915 -0.294 1.00 0.00 C ATOM 212 C ARG A 15 132.084 -4.761 -0.338 1.00 0.00 C ATOM 213 O ARG A 15 133.146 -4.317 -0.774 1.00 0.00 O ATOM 214 CB ARG A 15 130.488 -3.219 -1.626 1.00 0.00 C ATOM 215 CG ARG A 15 129.398 -3.831 -2.517 1.00 0.00 C ATOM 216 CD ARG A 15 128.971 -5.246 -2.155 1.00 0.00 C ATOM 217 NE ARG A 15 129.197 -6.168 -3.262 1.00 0.00 N ATOM 218 CZ ARG A 15 130.408 -6.496 -3.711 1.00 0.00 C ATOM 219 NH1 ARG A 15 131.484 -6.154 -3.027 1.00 0.00 N ATOM 220 NH2 ARG A 15 130.543 -7.198 -4.824 1.00 0.00 N ATOM 0 H ARG A 15 131.359 -2.048 0.483 1.00 0.00 H new ATOM 0 HA ARG A 15 130.000 -4.612 -0.089 1.00 0.00 H new ATOM 0 HB2 ARG A 15 130.198 -2.192 -1.403 1.00 0.00 H new ATOM 0 HB3 ARG A 15 131.407 -3.171 -2.210 1.00 0.00 H new ATOM 0 HG2 ARG A 15 128.520 -3.186 -2.482 1.00 0.00 H new ATOM 0 HG3 ARG A 15 129.753 -3.830 -3.547 1.00 0.00 H new ATOM 0 HD2 ARG A 15 129.526 -5.583 -1.280 1.00 0.00 H new ATOM 0 HD3 ARG A 15 127.915 -5.251 -1.884 1.00 0.00 H new ATOM 0 HE ARG A 15 128.385 -6.584 -3.717 1.00 0.00 H new ATOM 0 HH11 ARG A 15 131.390 -5.637 -2.153 1.00 0.00 H new ATOM 0 HH12 ARG A 15 132.410 -6.406 -3.373 1.00 0.00 H new ATOM 0 HH21 ARG A 15 129.717 -7.492 -5.345 1.00 0.00 H new ATOM 0 HH22 ARG A 15 131.473 -7.445 -5.161 1.00 0.00 H new ATOM 234 N LYS A 16 131.924 -6.009 0.122 1.00 0.00 N ATOM 235 CA LYS A 16 133.002 -6.997 0.158 1.00 0.00 C ATOM 236 C LYS A 16 132.510 -8.384 -0.282 1.00 0.00 C ATOM 237 O LYS A 16 131.580 -8.922 0.321 1.00 0.00 O ATOM 238 CB LYS A 16 133.604 -7.030 1.571 1.00 0.00 C ATOM 239 CG LYS A 16 133.817 -8.405 2.196 1.00 0.00 C ATOM 240 CD LYS A 16 133.889 -8.276 3.712 1.00 0.00 C ATOM 241 CE LYS A 16 135.080 -8.984 4.317 1.00 0.00 C ATOM 242 NZ LYS A 16 135.187 -8.719 5.780 1.00 0.00 N ATOM 0 H LYS A 16 131.036 -6.360 0.481 1.00 0.00 H new ATOM 0 HA LYS A 16 133.777 -6.707 -0.551 1.00 0.00 H new ATOM 0 HB2 LYS A 16 134.565 -6.517 1.543 1.00 0.00 H new ATOM 0 HB3 LYS A 16 132.955 -6.454 2.230 1.00 0.00 H new ATOM 0 HG2 LYS A 16 133.001 -9.072 1.917 1.00 0.00 H new ATOM 0 HG3 LYS A 16 134.737 -8.849 1.815 1.00 0.00 H new ATOM 0 HD2 LYS A 16 133.929 -7.220 3.978 1.00 0.00 H new ATOM 0 HD3 LYS A 16 132.975 -8.680 4.148 1.00 0.00 H new ATOM 0 HE2 LYS A 16 134.992 -10.057 4.146 1.00 0.00 H new ATOM 0 HE3 LYS A 16 135.992 -8.655 3.819 1.00 0.00 H new ATOM 0 HZ1 LYS A 16 135.642 -9.529 6.247 1.00 0.00 H new ATOM 0 HZ2 LYS A 16 135.757 -7.863 5.937 1.00 0.00 H new ATOM 0 HZ3 LYS A 16 134.236 -8.580 6.178 1.00 0.00 H new ATOM 256 N ASP A 17 133.148 -8.991 -1.279 1.00 0.00 N ATOM 257 CA ASP A 17 132.766 -10.347 -1.699 1.00 0.00 C ATOM 258 C ASP A 17 131.322 -10.431 -2.192 1.00 0.00 C ATOM 259 O ASP A 17 130.594 -11.357 -1.830 1.00 0.00 O ATOM 260 CB ASP A 17 132.967 -11.323 -0.543 1.00 0.00 C ATOM 261 CG ASP A 17 133.746 -12.556 -0.957 1.00 0.00 C ATOM 262 OD1 ASP A 17 133.669 -12.937 -2.144 1.00 0.00 O ATOM 263 OD2 ASP A 17 134.431 -13.143 -0.093 1.00 0.00 O ATOM 0 H ASP A 17 133.918 -8.580 -1.806 1.00 0.00 H new ATOM 0 HA ASP A 17 133.410 -10.612 -2.537 1.00 0.00 H new ATOM 0 HB2 ASP A 17 133.494 -10.819 0.267 1.00 0.00 H new ATOM 0 HB3 ASP A 17 131.995 -11.625 -0.152 1.00 0.00 H new ATOM 268 N GLY A 18 130.908 -9.492 -3.032 1.00 0.00 N ATOM 269 CA GLY A 18 129.555 -9.530 -3.557 1.00 0.00 C ATOM 270 C GLY A 18 128.485 -9.428 -2.488 1.00 0.00 C ATOM 271 O GLY A 18 127.326 -9.746 -2.751 1.00 0.00 O ATOM 0 H GLY A 18 131.478 -8.711 -3.358 1.00 0.00 H new ATOM 0 HA2 GLY A 18 129.427 -8.713 -4.267 1.00 0.00 H new ATOM 0 HA3 GLY A 18 129.415 -10.458 -4.111 1.00 0.00 H new ATOM 275 N GLU A 19 128.852 -9.021 -1.272 1.00 0.00 N ATOM 276 CA GLU A 19 127.871 -8.941 -0.206 1.00 0.00 C ATOM 277 C GLU A 19 128.021 -7.680 0.615 1.00 0.00 C ATOM 278 O GLU A 19 129.051 -7.006 0.573 1.00 0.00 O ATOM 279 CB GLU A 19 128.014 -10.146 0.710 1.00 0.00 C ATOM 280 CG GLU A 19 127.308 -11.387 0.187 1.00 0.00 C ATOM 281 CD GLU A 19 126.499 -12.096 1.255 1.00 0.00 C ATOM 282 OE1 GLU A 19 127.085 -12.908 2.002 1.00 0.00 O ATOM 283 OE2 GLU A 19 125.280 -11.842 1.342 1.00 0.00 O ATOM 0 H GLU A 19 129.800 -8.749 -1.011 1.00 0.00 H new ATOM 0 HA GLU A 19 126.886 -8.925 -0.672 1.00 0.00 H new ATOM 0 HB2 GLU A 19 129.073 -10.368 0.844 1.00 0.00 H new ATOM 0 HB3 GLU A 19 127.614 -9.896 1.693 1.00 0.00 H new ATOM 0 HG2 GLU A 19 126.649 -11.106 -0.635 1.00 0.00 H new ATOM 0 HG3 GLU A 19 128.048 -12.076 -0.219 1.00 0.00 H new ATOM 290 N TRP A 20 126.984 -7.384 1.377 1.00 0.00 N ATOM 291 CA TRP A 20 126.979 -6.225 2.234 1.00 0.00 C ATOM 292 C TRP A 20 127.456 -6.597 3.615 1.00 0.00 C ATOM 293 O TRP A 20 126.850 -7.412 4.310 1.00 0.00 O ATOM 294 CB TRP A 20 125.605 -5.570 2.266 1.00 0.00 C ATOM 295 CG TRP A 20 125.311 -4.962 0.941 1.00 0.00 C ATOM 296 CD1 TRP A 20 124.336 -5.296 0.046 1.00 0.00 C ATOM 297 CD2 TRP A 20 126.067 -3.918 0.344 1.00 0.00 C ATOM 298 NE1 TRP A 20 124.451 -4.505 -1.077 1.00 0.00 N ATOM 299 CE2 TRP A 20 125.503 -3.652 -0.908 1.00 0.00 C ATOM 300 CE3 TRP A 20 127.170 -3.174 0.760 1.00 0.00 C ATOM 301 CZ2 TRP A 20 126.008 -2.679 -1.751 1.00 0.00 C ATOM 302 CZ3 TRP A 20 127.667 -2.211 -0.076 1.00 0.00 C ATOM 303 CH2 TRP A 20 127.085 -1.967 -1.320 1.00 0.00 C ATOM 0 H TRP A 20 126.129 -7.940 1.416 1.00 0.00 H new ATOM 0 HA TRP A 20 127.671 -5.488 1.827 1.00 0.00 H new ATOM 0 HB2 TRP A 20 124.844 -6.310 2.515 1.00 0.00 H new ATOM 0 HB3 TRP A 20 125.573 -4.806 3.043 1.00 0.00 H new ATOM 0 HD1 TRP A 20 123.589 -6.062 0.195 1.00 0.00 H new ATOM 0 HE1 TRP A 20 123.849 -4.550 -1.899 1.00 0.00 H new ATOM 0 HE3 TRP A 20 127.624 -3.354 1.723 1.00 0.00 H new ATOM 0 HZ2 TRP A 20 125.564 -2.491 -2.717 1.00 0.00 H new ATOM 0 HZ3 TRP A 20 128.524 -1.630 0.233 1.00 0.00 H new ATOM 0 HH2 TRP A 20 127.498 -1.197 -1.955 1.00 0.00 H new ATOM 314 N VAL A 21 128.577 -6.011 3.981 1.00 0.00 N ATOM 315 CA VAL A 21 129.204 -6.275 5.253 1.00 0.00 C ATOM 316 C VAL A 21 129.033 -5.112 6.179 1.00 0.00 C ATOM 317 O VAL A 21 129.331 -3.974 5.840 1.00 0.00 O ATOM 318 CB VAL A 21 130.707 -6.563 5.068 1.00 0.00 C ATOM 319 CG1 VAL A 21 130.920 -7.342 3.805 1.00 0.00 C ATOM 320 CG2 VAL A 21 131.505 -5.279 4.987 1.00 0.00 C ATOM 0 H VAL A 21 129.078 -5.337 3.401 1.00 0.00 H new ATOM 0 HA VAL A 21 128.721 -7.151 5.687 1.00 0.00 H new ATOM 0 HB VAL A 21 131.047 -7.136 5.931 1.00 0.00 H new ATOM 0 HG11 VAL A 21 131.983 -7.544 3.677 1.00 0.00 H new ATOM 0 HG12 VAL A 21 130.376 -8.285 3.863 1.00 0.00 H new ATOM 0 HG13 VAL A 21 130.556 -6.764 2.955 1.00 0.00 H new ATOM 0 HG21 VAL A 21 132.561 -5.515 4.857 1.00 0.00 H new ATOM 0 HG22 VAL A 21 131.158 -4.688 4.140 1.00 0.00 H new ATOM 0 HG23 VAL A 21 131.371 -4.709 5.906 1.00 0.00 H new ATOM 330 N LEU A 22 128.550 -5.412 7.350 1.00 0.00 N ATOM 331 CA LEU A 22 128.340 -4.405 8.345 1.00 0.00 C ATOM 332 C LEU A 22 129.611 -3.598 8.543 1.00 0.00 C ATOM 333 O LEU A 22 130.662 -4.141 8.879 1.00 0.00 O ATOM 334 CB LEU A 22 127.936 -5.089 9.635 1.00 0.00 C ATOM 335 CG LEU A 22 126.691 -4.549 10.358 1.00 0.00 C ATOM 336 CD1 LEU A 22 127.001 -3.350 11.229 1.00 0.00 C ATOM 337 CD2 LEU A 22 125.630 -4.114 9.389 1.00 0.00 C ATOM 0 H LEU A 22 128.293 -6.356 7.639 1.00 0.00 H new ATOM 0 HA LEU A 22 127.553 -3.720 8.030 1.00 0.00 H new ATOM 0 HB2 LEU A 22 127.770 -6.145 9.420 1.00 0.00 H new ATOM 0 HB3 LEU A 22 128.778 -5.033 10.325 1.00 0.00 H new ATOM 0 HG LEU A 22 126.341 -5.379 10.972 1.00 0.00 H new ATOM 0 HD11 LEU A 22 126.088 -3.008 11.716 1.00 0.00 H new ATOM 0 HD12 LEU A 22 127.733 -3.630 11.986 1.00 0.00 H new ATOM 0 HD13 LEU A 22 127.405 -2.547 10.612 1.00 0.00 H new ATOM 0 HD21 LEU A 22 124.767 -3.739 9.939 1.00 0.00 H new ATOM 0 HD22 LEU A 22 126.024 -3.324 8.749 1.00 0.00 H new ATOM 0 HD23 LEU A 22 125.328 -4.962 8.775 1.00 0.00 H new ATOM 349 N LEU A 23 129.502 -2.304 8.336 1.00 0.00 N ATOM 350 CA LEU A 23 130.633 -1.410 8.491 1.00 0.00 C ATOM 351 C LEU A 23 131.189 -1.497 9.896 1.00 0.00 C ATOM 352 O LEU A 23 132.399 -1.560 10.096 1.00 0.00 O ATOM 353 CB LEU A 23 130.165 0.007 8.218 1.00 0.00 C ATOM 354 CG LEU A 23 131.141 1.133 8.590 1.00 0.00 C ATOM 355 CD1 LEU A 23 132.522 0.930 8.006 1.00 0.00 C ATOM 356 CD2 LEU A 23 130.607 2.469 8.142 1.00 0.00 C ATOM 0 H LEU A 23 128.636 -1.843 8.058 1.00 0.00 H new ATOM 0 HA LEU A 23 131.419 -1.694 7.792 1.00 0.00 H new ATOM 0 HB2 LEU A 23 129.935 0.092 7.156 1.00 0.00 H new ATOM 0 HB3 LEU A 23 129.234 0.169 8.760 1.00 0.00 H new ATOM 0 HG LEU A 23 131.232 1.110 9.676 1.00 0.00 H new ATOM 0 HD11 LEU A 23 133.168 1.757 8.303 1.00 0.00 H new ATOM 0 HD12 LEU A 23 132.939 -0.007 8.375 1.00 0.00 H new ATOM 0 HD13 LEU A 23 132.455 0.894 6.919 1.00 0.00 H new ATOM 0 HD21 LEU A 23 131.313 3.253 8.415 1.00 0.00 H new ATOM 0 HD22 LEU A 23 130.472 2.463 7.060 1.00 0.00 H new ATOM 0 HD23 LEU A 23 129.649 2.659 8.626 1.00 0.00 H new ATOM 368 N SER A 24 130.291 -1.487 10.867 1.00 0.00 N ATOM 369 CA SER A 24 130.667 -1.561 12.273 1.00 0.00 C ATOM 370 C SER A 24 131.672 -2.685 12.521 1.00 0.00 C ATOM 371 O SER A 24 132.469 -2.613 13.457 1.00 0.00 O ATOM 372 CB SER A 24 129.421 -1.766 13.136 1.00 0.00 C ATOM 373 OG SER A 24 128.376 -0.900 12.732 1.00 0.00 O ATOM 0 H SER A 24 129.285 -1.428 10.707 1.00 0.00 H new ATOM 0 HA SER A 24 131.144 -0.620 12.547 1.00 0.00 H new ATOM 0 HB2 SER A 24 129.089 -2.802 13.062 1.00 0.00 H new ATOM 0 HB3 SER A 24 129.665 -1.584 14.183 1.00 0.00 H new ATOM 0 HG SER A 24 127.590 -1.051 13.297 1.00 0.00 H new ATOM 379 N THR A 25 131.650 -3.712 11.671 1.00 0.00 N ATOM 380 CA THR A 25 132.596 -4.811 11.834 1.00 0.00 C ATOM 381 C THR A 25 134.011 -4.310 11.558 1.00 0.00 C ATOM 382 O THR A 25 134.997 -4.933 11.953 1.00 0.00 O ATOM 383 CB THR A 25 132.256 -5.984 10.901 1.00 0.00 C ATOM 384 OG1 THR A 25 131.222 -6.777 11.460 1.00 0.00 O ATOM 385 CG2 THR A 25 133.426 -6.907 10.602 1.00 0.00 C ATOM 0 H THR A 25 131.007 -3.805 10.885 1.00 0.00 H new ATOM 0 HA THR A 25 132.530 -5.174 12.860 1.00 0.00 H new ATOM 0 HB THR A 25 131.952 -5.515 9.965 1.00 0.00 H new ATOM 0 HG1 THR A 25 131.015 -7.519 10.854 1.00 0.00 H new ATOM 0 HG21 THR A 25 133.098 -7.706 9.937 1.00 0.00 H new ATOM 0 HG22 THR A 25 134.223 -6.340 10.122 1.00 0.00 H new ATOM 0 HG23 THR A 25 133.797 -7.338 11.532 1.00 0.00 H new ATOM 393 N PHE A 26 134.088 -3.174 10.873 1.00 0.00 N ATOM 394 CA PHE A 26 135.350 -2.557 10.524 1.00 0.00 C ATOM 395 C PHE A 26 135.699 -1.441 11.490 1.00 0.00 C ATOM 396 O PHE A 26 136.779 -0.896 11.429 1.00 0.00 O ATOM 397 CB PHE A 26 135.292 -2.049 9.083 1.00 0.00 C ATOM 398 CG PHE A 26 135.164 -3.185 8.086 1.00 0.00 C ATOM 399 CD1 PHE A 26 133.941 -3.822 7.875 1.00 0.00 C ATOM 400 CD2 PHE A 26 136.271 -3.638 7.383 1.00 0.00 C ATOM 401 CE1 PHE A 26 133.835 -4.885 6.982 1.00 0.00 C ATOM 402 CE2 PHE A 26 136.166 -4.693 6.490 1.00 0.00 C ATOM 403 CZ PHE A 26 134.948 -5.319 6.293 1.00 0.00 C ATOM 0 H PHE A 26 133.271 -2.658 10.546 1.00 0.00 H new ATOM 0 HA PHE A 26 136.141 -3.304 10.599 1.00 0.00 H new ATOM 0 HB2 PHE A 26 134.446 -1.371 8.971 1.00 0.00 H new ATOM 0 HB3 PHE A 26 136.192 -1.474 8.864 1.00 0.00 H new ATOM 0 HD1 PHE A 26 133.065 -3.486 8.411 1.00 0.00 H new ATOM 0 HD2 PHE A 26 137.229 -3.162 7.534 1.00 0.00 H new ATOM 0 HE1 PHE A 26 132.882 -5.369 6.829 1.00 0.00 H new ATOM 0 HE2 PHE A 26 137.037 -5.027 5.947 1.00 0.00 H new ATOM 0 HZ PHE A 26 134.869 -6.145 5.602 1.00 0.00 H new ATOM 413 N LEU A 27 134.810 -1.115 12.415 1.00 0.00 N ATOM 414 CA LEU A 27 135.108 -0.071 13.381 1.00 0.00 C ATOM 415 C LEU A 27 135.331 -0.657 14.771 1.00 0.00 C ATOM 416 O LEU A 27 134.367 -1.211 15.340 1.00 0.00 O ATOM 417 CB LEU A 27 133.990 0.960 13.420 1.00 0.00 C ATOM 418 CG LEU A 27 133.473 1.464 12.062 1.00 0.00 C ATOM 419 CD1 LEU A 27 133.078 2.909 12.171 1.00 0.00 C ATOM 420 CD2 LEU A 27 134.490 1.343 10.943 1.00 0.00 C ATOM 421 OXT LEU A 27 136.468 -0.559 15.278 1.00 0.00 O ATOM 0 H LEU A 27 133.893 -1.549 12.517 1.00 0.00 H new ATOM 0 HA LEU A 27 136.028 0.421 13.065 1.00 0.00 H new ATOM 0 HB2 LEU A 27 133.150 0.532 13.967 1.00 0.00 H new ATOM 0 HB3 LEU A 27 134.338 1.820 13.993 1.00 0.00 H new ATOM 0 HG LEU A 27 132.622 0.830 11.813 1.00 0.00 H new ATOM 0 HD11 LEU A 27 132.713 3.260 11.206 1.00 0.00 H new ATOM 0 HD12 LEU A 27 132.291 3.016 12.918 1.00 0.00 H new ATOM 0 HD13 LEU A 27 133.943 3.501 12.469 1.00 0.00 H new ATOM 0 HD21 LEU A 27 134.057 1.717 10.015 1.00 0.00 H new ATOM 0 HD22 LEU A 27 135.376 1.928 11.191 1.00 0.00 H new ATOM 0 HD23 LEU A 27 134.770 0.297 10.817 1.00 0.00 H new ATOM 434 N GLY B 1 116.465 -6.647 -6.163 1.00 0.00 N ATOM 435 CA GLY B 1 117.275 -6.353 -4.950 1.00 0.00 C ATOM 436 C GLY B 1 118.599 -5.695 -5.280 1.00 0.00 C ATOM 437 O GLY B 1 119.655 -6.217 -4.927 1.00 0.00 O ATOM 0 H1 GLY B 1 115.570 -7.096 -5.882 1.00 0.00 H new ATOM 0 H2 GLY B 1 116.264 -5.761 -6.669 1.00 0.00 H new ATOM 0 H3 GLY B 1 116.994 -7.290 -6.786 1.00 0.00 H new ATOM 0 HA2 GLY B 1 116.706 -5.703 -4.286 1.00 0.00 H new ATOM 0 HA3 GLY B 1 117.459 -7.280 -4.407 1.00 0.00 H new ATOM 443 N TYR B 2 118.548 -4.552 -5.961 1.00 0.00 N ATOM 444 CA TYR B 2 119.763 -3.827 -6.340 1.00 0.00 C ATOM 445 C TYR B 2 119.684 -2.348 -5.927 1.00 0.00 C ATOM 446 O TYR B 2 118.656 -1.699 -6.120 1.00 0.00 O ATOM 447 CB TYR B 2 119.997 -3.957 -7.845 1.00 0.00 C ATOM 448 CG TYR B 2 120.956 -5.064 -8.227 1.00 0.00 C ATOM 449 CD1 TYR B 2 120.786 -6.361 -7.755 1.00 0.00 C ATOM 450 CD2 TYR B 2 122.031 -4.809 -9.065 1.00 0.00 C ATOM 451 CE1 TYR B 2 121.667 -7.368 -8.105 1.00 0.00 C ATOM 452 CE2 TYR B 2 122.914 -5.809 -9.419 1.00 0.00 C ATOM 453 CZ TYR B 2 122.729 -7.087 -8.936 1.00 0.00 C ATOM 454 OH TYR B 2 123.611 -8.085 -9.282 1.00 0.00 O ATOM 0 H TYR B 2 117.681 -4.107 -6.262 1.00 0.00 H new ATOM 0 HA TYR B 2 120.606 -4.270 -5.810 1.00 0.00 H new ATOM 0 HB2 TYR B 2 119.040 -4.134 -8.337 1.00 0.00 H new ATOM 0 HB3 TYR B 2 120.381 -3.011 -8.225 1.00 0.00 H new ATOM 0 HD1 TYR B 2 119.953 -6.585 -7.105 1.00 0.00 H new ATOM 0 HD2 TYR B 2 122.180 -3.810 -9.448 1.00 0.00 H new ATOM 0 HE1 TYR B 2 121.523 -8.370 -7.729 1.00 0.00 H new ATOM 0 HE2 TYR B 2 123.746 -5.591 -10.072 1.00 0.00 H new ATOM 0 HH TYR B 2 124.495 -7.696 -9.451 1.00 0.00 H new ATOM 464 N ILE B 3 120.772 -1.818 -5.352 1.00 0.00 N ATOM 465 CA ILE B 3 120.808 -0.411 -4.919 1.00 0.00 C ATOM 466 C ILE B 3 121.240 0.523 -6.049 1.00 0.00 C ATOM 467 O ILE B 3 121.947 0.117 -6.972 1.00 0.00 O ATOM 468 CB ILE B 3 121.792 -0.160 -3.753 1.00 0.00 C ATOM 469 CG1 ILE B 3 123.128 -0.837 -4.021 1.00 0.00 C ATOM 470 CG2 ILE B 3 121.232 -0.603 -2.417 1.00 0.00 C ATOM 471 CD1 ILE B 3 124.181 -0.535 -2.979 1.00 0.00 C ATOM 0 H ILE B 3 121.633 -2.336 -5.176 1.00 0.00 H new ATOM 0 HA ILE B 3 119.787 -0.203 -4.600 1.00 0.00 H new ATOM 0 HB ILE B 3 121.945 0.918 -3.695 1.00 0.00 H new ATOM 0 HG12 ILE B 3 122.976 -1.915 -4.069 1.00 0.00 H new ATOM 0 HG13 ILE B 3 123.495 -0.523 -4.998 1.00 0.00 H new ATOM 0 HG21 ILE B 3 121.962 -0.405 -1.633 1.00 0.00 H new ATOM 0 HG22 ILE B 3 120.315 -0.053 -2.206 1.00 0.00 H new ATOM 0 HG23 ILE B 3 121.015 -1.671 -2.449 1.00 0.00 H new ATOM 0 HD11 ILE B 3 125.106 -1.051 -3.236 1.00 0.00 H new ATOM 0 HD12 ILE B 3 124.362 0.539 -2.946 1.00 0.00 H new ATOM 0 HD13 ILE B 3 123.835 -0.875 -2.003 1.00 0.00 H new ATOM 483 N PRO B 4 120.846 1.806 -5.959 1.00 0.00 N ATOM 484 CA PRO B 4 121.209 2.826 -6.931 1.00 0.00 C ATOM 485 C PRO B 4 122.558 3.482 -6.599 1.00 0.00 C ATOM 486 O PRO B 4 123.015 3.478 -5.456 1.00 0.00 O ATOM 487 CB PRO B 4 120.056 3.816 -6.830 1.00 0.00 C ATOM 488 CG PRO B 4 119.608 3.726 -5.403 1.00 0.00 C ATOM 489 CD PRO B 4 120.030 2.366 -4.882 1.00 0.00 C ATOM 0 HA PRO B 4 121.345 2.428 -7.937 1.00 0.00 H new ATOM 0 HB2 PRO B 4 120.377 4.827 -7.082 1.00 0.00 H new ATOM 0 HB3 PRO B 4 119.250 3.557 -7.516 1.00 0.00 H new ATOM 0 HG2 PRO B 4 120.057 4.521 -4.808 1.00 0.00 H new ATOM 0 HG3 PRO B 4 118.527 3.846 -5.331 1.00 0.00 H new ATOM 0 HD2 PRO B 4 120.598 2.453 -3.956 1.00 0.00 H new ATOM 0 HD3 PRO B 4 119.167 1.736 -4.668 1.00 0.00 H new ATOM 497 N GLU B 5 123.196 3.990 -7.648 1.00 0.00 N ATOM 498 CA GLU B 5 124.518 4.609 -7.592 1.00 0.00 C ATOM 499 C GLU B 5 124.630 5.810 -6.648 1.00 0.00 C ATOM 500 O GLU B 5 123.717 6.627 -6.531 1.00 0.00 O ATOM 501 CB GLU B 5 124.931 5.025 -9.005 1.00 0.00 C ATOM 502 CG GLU B 5 126.254 5.765 -9.080 1.00 0.00 C ATOM 503 CD GLU B 5 127.064 5.373 -10.301 1.00 0.00 C ATOM 504 OE1 GLU B 5 127.533 4.216 -10.356 1.00 0.00 O ATOM 505 OE2 GLU B 5 127.224 6.220 -11.205 1.00 0.00 O ATOM 0 H GLU B 5 122.798 3.983 -8.587 1.00 0.00 H new ATOM 0 HA GLU B 5 125.188 3.855 -7.180 1.00 0.00 H new ATOM 0 HB2 GLU B 5 124.991 4.134 -9.630 1.00 0.00 H new ATOM 0 HB3 GLU B 5 124.150 5.658 -9.427 1.00 0.00 H new ATOM 0 HG2 GLU B 5 126.067 6.839 -9.100 1.00 0.00 H new ATOM 0 HG3 GLU B 5 126.834 5.560 -8.180 1.00 0.00 H new ATOM 512 N ALA B 6 125.796 5.904 -6.002 1.00 0.00 N ATOM 513 CA ALA B 6 126.111 6.994 -5.082 1.00 0.00 C ATOM 514 C ALA B 6 126.700 8.197 -5.831 1.00 0.00 C ATOM 515 O ALA B 6 127.237 8.054 -6.930 1.00 0.00 O ATOM 516 CB ALA B 6 127.095 6.510 -4.023 1.00 0.00 C ATOM 0 H ALA B 6 126.548 5.223 -6.105 1.00 0.00 H new ATOM 0 HA ALA B 6 125.186 7.312 -4.601 1.00 0.00 H new ATOM 0 HB1 ALA B 6 127.326 7.328 -3.340 1.00 0.00 H new ATOM 0 HB2 ALA B 6 126.652 5.685 -3.465 1.00 0.00 H new ATOM 0 HB3 ALA B 6 128.011 6.171 -4.506 1.00 0.00 H new ATOM 522 N PRO B 7 126.618 9.395 -5.227 1.00 0.00 N ATOM 523 CA PRO B 7 127.154 10.640 -5.810 1.00 0.00 C ATOM 524 C PRO B 7 128.654 10.569 -6.102 1.00 0.00 C ATOM 525 O PRO B 7 129.374 9.760 -5.517 1.00 0.00 O ATOM 526 CB PRO B 7 126.891 11.690 -4.720 1.00 0.00 C ATOM 527 CG PRO B 7 126.650 10.914 -3.473 1.00 0.00 C ATOM 528 CD PRO B 7 126.012 9.630 -3.908 1.00 0.00 C ATOM 0 HA PRO B 7 126.685 10.857 -6.770 1.00 0.00 H new ATOM 0 HB2 PRO B 7 127.743 12.361 -4.607 1.00 0.00 H new ATOM 0 HB3 PRO B 7 126.029 12.309 -4.970 1.00 0.00 H new ATOM 0 HG2 PRO B 7 127.584 10.727 -2.942 1.00 0.00 H new ATOM 0 HG3 PRO B 7 126.000 11.462 -2.791 1.00 0.00 H new ATOM 0 HD2 PRO B 7 126.226 8.817 -3.214 1.00 0.00 H new ATOM 0 HD3 PRO B 7 124.927 9.718 -3.971 1.00 0.00 H new ATOM 536 N ARG B 8 129.116 11.429 -7.011 1.00 0.00 N ATOM 537 CA ARG B 8 130.528 11.483 -7.390 1.00 0.00 C ATOM 538 C ARG B 8 131.177 12.788 -6.929 1.00 0.00 C ATOM 539 O ARG B 8 131.437 13.684 -7.732 1.00 0.00 O ATOM 540 CB ARG B 8 130.661 11.337 -8.892 1.00 0.00 C ATOM 541 CG ARG B 8 130.435 9.927 -9.404 1.00 0.00 C ATOM 542 CD ARG B 8 128.989 9.717 -9.810 1.00 0.00 C ATOM 543 NE ARG B 8 128.582 10.616 -10.889 1.00 0.00 N ATOM 544 CZ ARG B 8 128.977 10.487 -12.154 1.00 0.00 C ATOM 545 NH1 ARG B 8 129.802 9.508 -12.504 1.00 0.00 N ATOM 546 NH2 ARG B 8 128.547 11.342 -13.072 1.00 0.00 N ATOM 0 H ARG B 8 128.527 12.102 -7.501 1.00 0.00 H new ATOM 0 HA ARG B 8 131.045 10.660 -6.898 1.00 0.00 H new ATOM 0 HB2 ARG B 8 129.948 12.005 -9.375 1.00 0.00 H new ATOM 0 HB3 ARG B 8 131.657 11.664 -9.190 1.00 0.00 H new ATOM 0 HG2 ARG B 8 131.086 9.738 -10.257 1.00 0.00 H new ATOM 0 HG3 ARG B 8 130.707 9.208 -8.631 1.00 0.00 H new ATOM 0 HD2 ARG B 8 128.849 8.684 -10.128 1.00 0.00 H new ATOM 0 HD3 ARG B 8 128.344 9.875 -8.945 1.00 0.00 H new ATOM 0 HE ARG B 8 127.958 11.389 -10.659 1.00 0.00 H new ATOM 0 HH11 ARG B 8 130.138 8.848 -11.802 1.00 0.00 H new ATOM 0 HH12 ARG B 8 130.100 9.415 -13.475 1.00 0.00 H new ATOM 0 HH21 ARG B 8 127.914 12.098 -12.809 1.00 0.00 H new ATOM 0 HH22 ARG B 8 128.849 11.244 -14.041 1.00 0.00 H new ATOM 560 N ASP B 9 131.434 12.881 -5.633 1.00 0.00 N ATOM 561 CA ASP B 9 132.057 14.070 -5.044 1.00 0.00 C ATOM 562 C ASP B 9 133.378 13.732 -4.352 1.00 0.00 C ATOM 563 O ASP B 9 133.964 14.582 -3.681 1.00 0.00 O ATOM 564 CB ASP B 9 131.133 14.716 -4.010 1.00 0.00 C ATOM 565 CG ASP B 9 131.135 16.229 -4.105 1.00 0.00 C ATOM 566 OD1 ASP B 9 132.124 16.850 -3.661 1.00 0.00 O ATOM 567 OD2 ASP B 9 130.149 16.793 -4.625 1.00 0.00 O ATOM 0 H ASP B 9 131.221 12.145 -4.960 1.00 0.00 H new ATOM 0 HA ASP B 9 132.244 14.760 -5.867 1.00 0.00 H new ATOM 0 HB2 ASP B 9 130.117 14.346 -4.152 1.00 0.00 H new ATOM 0 HB3 ASP B 9 131.445 14.416 -3.009 1.00 0.00 H new ATOM 572 N GLY B 10 133.848 12.505 -4.519 1.00 0.00 N ATOM 573 CA GLY B 10 135.100 12.115 -3.898 1.00 0.00 C ATOM 574 C GLY B 10 134.937 11.798 -2.429 1.00 0.00 C ATOM 575 O GLY B 10 135.902 11.850 -1.668 1.00 0.00 O ATOM 0 H GLY B 10 133.391 11.777 -5.068 1.00 0.00 H new ATOM 0 HA2 GLY B 10 135.502 11.243 -4.413 1.00 0.00 H new ATOM 0 HA3 GLY B 10 135.827 12.918 -4.016 1.00 0.00 H new ATOM 579 N GLN B 11 133.720 11.457 -2.027 1.00 0.00 N ATOM 580 CA GLN B 11 133.454 11.104 -0.643 1.00 0.00 C ATOM 581 C GLN B 11 133.014 9.666 -0.592 1.00 0.00 C ATOM 582 O GLN B 11 132.358 9.184 -1.512 1.00 0.00 O ATOM 583 CB GLN B 11 132.393 11.995 -0.031 1.00 0.00 C ATOM 584 CG GLN B 11 132.838 13.434 0.189 1.00 0.00 C ATOM 585 CD GLN B 11 131.953 14.191 1.168 1.00 0.00 C ATOM 586 OE1 GLN B 11 130.984 13.654 1.694 1.00 0.00 O ATOM 587 NE2 GLN B 11 132.282 15.453 1.412 1.00 0.00 N ATOM 0 H GLN B 11 132.905 11.418 -2.639 1.00 0.00 H new ATOM 0 HA GLN B 11 134.366 11.244 -0.063 1.00 0.00 H new ATOM 0 HB2 GLN B 11 131.515 11.993 -0.677 1.00 0.00 H new ATOM 0 HB3 GLN B 11 132.086 11.571 0.925 1.00 0.00 H new ATOM 0 HG2 GLN B 11 133.864 13.438 0.558 1.00 0.00 H new ATOM 0 HG3 GLN B 11 132.841 13.957 -0.767 1.00 0.00 H new ATOM 0 HE21 GLN B 11 133.096 15.865 0.955 1.00 0.00 H new ATOM 0 HE22 GLN B 11 131.721 16.011 2.056 1.00 0.00 H new ATOM 596 N ALA B 12 133.383 8.968 0.462 1.00 0.00 N ATOM 597 CA ALA B 12 133.048 7.568 0.608 1.00 0.00 C ATOM 598 C ALA B 12 131.757 7.386 1.350 1.00 0.00 C ATOM 599 O ALA B 12 131.494 8.023 2.369 1.00 0.00 O ATOM 600 CB ALA B 12 134.180 6.813 1.291 1.00 0.00 C ATOM 0 H ALA B 12 133.921 9.354 1.238 1.00 0.00 H new ATOM 0 HA ALA B 12 132.912 7.153 -0.391 1.00 0.00 H new ATOM 0 HB1 ALA B 12 133.908 5.762 1.391 1.00 0.00 H new ATOM 0 HB2 ALA B 12 135.087 6.898 0.692 1.00 0.00 H new ATOM 0 HB3 ALA B 12 134.357 7.238 2.279 1.00 0.00 H new ATOM 606 N TYR B 13 130.951 6.508 0.803 1.00 0.00 N ATOM 607 CA TYR B 13 129.664 6.205 1.359 1.00 0.00 C ATOM 608 C TYR B 13 129.560 4.756 1.721 1.00 0.00 C ATOM 609 O TYR B 13 130.211 3.881 1.149 1.00 0.00 O ATOM 610 CB TYR B 13 128.571 6.563 0.375 1.00 0.00 C ATOM 611 CG TYR B 13 128.370 8.052 0.314 1.00 0.00 C ATOM 612 CD1 TYR B 13 127.813 8.719 1.386 1.00 0.00 C ATOM 613 CD2 TYR B 13 128.791 8.792 -0.771 1.00 0.00 C ATOM 614 CE1 TYR B 13 127.672 10.087 1.384 1.00 0.00 C ATOM 615 CE2 TYR B 13 128.660 10.167 -0.784 1.00 0.00 C ATOM 616 CZ TYR B 13 128.103 10.811 0.298 1.00 0.00 C ATOM 617 OH TYR B 13 127.967 12.181 0.286 1.00 0.00 O ATOM 0 H TYR B 13 131.175 5.984 -0.043 1.00 0.00 H new ATOM 0 HA TYR B 13 129.544 6.798 2.266 1.00 0.00 H new ATOM 0 HB2 TYR B 13 128.829 6.186 -0.615 1.00 0.00 H new ATOM 0 HB3 TYR B 13 127.640 6.078 0.668 1.00 0.00 H new ATOM 0 HD1 TYR B 13 127.481 8.155 2.245 1.00 0.00 H new ATOM 0 HD2 TYR B 13 129.229 8.290 -1.621 1.00 0.00 H new ATOM 0 HE1 TYR B 13 127.226 10.589 2.230 1.00 0.00 H new ATOM 0 HE2 TYR B 13 128.993 10.735 -1.640 1.00 0.00 H new ATOM 0 HH TYR B 13 128.323 12.538 -0.555 1.00 0.00 H new ATOM 627 N VAL B 14 128.721 4.540 2.678 1.00 0.00 N ATOM 628 CA VAL B 14 128.434 3.245 3.208 1.00 0.00 C ATOM 629 C VAL B 14 127.003 2.960 2.836 1.00 0.00 C ATOM 630 O VAL B 14 126.237 3.892 2.586 1.00 0.00 O ATOM 631 CB VAL B 14 128.650 3.304 4.726 1.00 0.00 C ATOM 632 CG1 VAL B 14 129.255 2.036 5.306 1.00 0.00 C ATOM 633 CG2 VAL B 14 129.556 4.499 5.022 1.00 0.00 C ATOM 0 H VAL B 14 128.195 5.288 3.131 1.00 0.00 H new ATOM 0 HA VAL B 14 129.073 2.452 2.819 1.00 0.00 H new ATOM 0 HB VAL B 14 127.675 3.408 5.201 1.00 0.00 H new ATOM 0 HG11 VAL B 14 129.379 2.151 6.383 1.00 0.00 H new ATOM 0 HG12 VAL B 14 128.594 1.193 5.105 1.00 0.00 H new ATOM 0 HG13 VAL B 14 130.227 1.853 4.847 1.00 0.00 H new ATOM 0 HG21 VAL B 14 129.728 4.568 6.096 1.00 0.00 H new ATOM 0 HG22 VAL B 14 130.509 4.369 4.509 1.00 0.00 H new ATOM 0 HG23 VAL B 14 129.078 5.414 4.672 1.00 0.00 H new ATOM 643 N ARG B 15 126.638 1.708 2.727 1.00 0.00 N ATOM 644 CA ARG B 15 125.297 1.399 2.298 1.00 0.00 C ATOM 645 C ARG B 15 124.450 0.903 3.460 1.00 0.00 C ATOM 646 O ARG B 15 124.517 -0.254 3.875 1.00 0.00 O ATOM 647 CB ARG B 15 125.357 0.411 1.122 1.00 0.00 C ATOM 648 CG ARG B 15 124.506 0.770 -0.100 1.00 0.00 C ATOM 649 CD ARG B 15 123.679 2.019 0.084 1.00 0.00 C ATOM 650 NE ARG B 15 122.669 2.144 -0.953 1.00 0.00 N ATOM 651 CZ ARG B 15 122.246 3.299 -1.441 1.00 0.00 C ATOM 652 NH1 ARG B 15 122.791 4.432 -1.050 1.00 0.00 N ATOM 653 NH2 ARG B 15 121.283 3.313 -2.333 1.00 0.00 N ATOM 0 H ARG B 15 127.233 0.903 2.924 1.00 0.00 H new ATOM 0 HA ARG B 15 124.803 2.303 1.943 1.00 0.00 H new ATOM 0 HB2 ARG B 15 126.395 0.319 0.803 1.00 0.00 H new ATOM 0 HB3 ARG B 15 125.046 -0.570 1.481 1.00 0.00 H new ATOM 0 HG2 ARG B 15 125.160 0.902 -0.962 1.00 0.00 H new ATOM 0 HG3 ARG B 15 123.843 -0.064 -0.328 1.00 0.00 H new ATOM 0 HD2 ARG B 15 123.198 1.998 1.062 1.00 0.00 H new ATOM 0 HD3 ARG B 15 124.329 2.893 0.068 1.00 0.00 H new ATOM 0 HE ARG B 15 122.261 1.288 -1.328 1.00 0.00 H new ATOM 0 HH11 ARG B 15 123.547 4.425 -0.365 1.00 0.00 H new ATOM 0 HH12 ARG B 15 122.458 5.317 -1.432 1.00 0.00 H new ATOM 0 HH21 ARG B 15 120.865 2.437 -2.646 1.00 0.00 H new ATOM 0 HH22 ARG B 15 120.953 4.200 -2.713 1.00 0.00 H new ATOM 667 N LYS B 16 123.640 1.841 3.964 1.00 0.00 N ATOM 668 CA LYS B 16 122.735 1.602 5.078 1.00 0.00 C ATOM 669 C LYS B 16 121.357 2.183 4.791 1.00 0.00 C ATOM 670 O LYS B 16 121.227 3.369 4.484 1.00 0.00 O ATOM 671 CB LYS B 16 123.331 2.210 6.353 1.00 0.00 C ATOM 672 CG LYS B 16 122.473 3.208 7.106 1.00 0.00 C ATOM 673 CD LYS B 16 123.348 3.997 8.066 1.00 0.00 C ATOM 674 CE LYS B 16 122.793 4.033 9.472 1.00 0.00 C ATOM 675 NZ LYS B 16 123.839 4.400 10.466 1.00 0.00 N ATOM 0 H LYS B 16 123.599 2.794 3.602 1.00 0.00 H new ATOM 0 HA LYS B 16 122.614 0.528 5.218 1.00 0.00 H new ATOM 0 HB2 LYS B 16 123.579 1.395 7.033 1.00 0.00 H new ATOM 0 HB3 LYS B 16 124.268 2.700 6.089 1.00 0.00 H new ATOM 0 HG2 LYS B 16 121.980 3.883 6.406 1.00 0.00 H new ATOM 0 HG3 LYS B 16 121.687 2.689 7.655 1.00 0.00 H new ATOM 0 HD2 LYS B 16 124.345 3.558 8.085 1.00 0.00 H new ATOM 0 HD3 LYS B 16 123.456 5.017 7.697 1.00 0.00 H new ATOM 0 HE2 LYS B 16 121.975 4.751 9.522 1.00 0.00 H new ATOM 0 HE3 LYS B 16 122.377 3.058 9.724 1.00 0.00 H new ATOM 0 HZ1 LYS B 16 123.422 4.415 11.419 1.00 0.00 H new ATOM 0 HZ2 LYS B 16 124.608 3.700 10.435 1.00 0.00 H new ATOM 0 HZ3 LYS B 16 124.218 5.341 10.239 1.00 0.00 H new ATOM 689 N ASP B 17 120.330 1.363 4.917 1.00 0.00 N ATOM 690 CA ASP B 17 118.969 1.821 4.701 1.00 0.00 C ATOM 691 C ASP B 17 118.764 2.352 3.291 1.00 0.00 C ATOM 692 O ASP B 17 118.114 3.379 3.096 1.00 0.00 O ATOM 693 CB ASP B 17 118.612 2.888 5.719 1.00 0.00 C ATOM 694 CG ASP B 17 117.169 3.342 5.613 1.00 0.00 C ATOM 695 OD1 ASP B 17 116.267 2.489 5.751 1.00 0.00 O ATOM 696 OD2 ASP B 17 116.942 4.550 5.390 1.00 0.00 O ATOM 0 H ASP B 17 120.412 0.378 5.167 1.00 0.00 H new ATOM 0 HA ASP B 17 118.309 0.963 4.826 1.00 0.00 H new ATOM 0 HB2 ASP B 17 118.794 2.502 6.722 1.00 0.00 H new ATOM 0 HB3 ASP B 17 119.269 3.747 5.584 1.00 0.00 H new ATOM 701 N GLY B 18 119.295 1.644 2.302 1.00 0.00 N ATOM 702 CA GLY B 18 119.130 2.053 0.926 1.00 0.00 C ATOM 703 C GLY B 18 119.716 3.420 0.625 1.00 0.00 C ATOM 704 O GLY B 18 119.424 3.990 -0.427 1.00 0.00 O ATOM 0 H GLY B 18 119.839 0.791 2.432 1.00 0.00 H new ATOM 0 HA2 GLY B 18 119.600 1.314 0.277 1.00 0.00 H new ATOM 0 HA3 GLY B 18 118.068 2.061 0.683 1.00 0.00 H new ATOM 708 N GLU B 19 120.523 3.972 1.534 1.00 0.00 N ATOM 709 CA GLU B 19 121.091 5.286 1.308 1.00 0.00 C ATOM 710 C GLU B 19 122.591 5.281 1.502 1.00 0.00 C ATOM 711 O GLU B 19 123.149 4.390 2.143 1.00 0.00 O ATOM 712 CB GLU B 19 120.468 6.291 2.264 1.00 0.00 C ATOM 713 CG GLU B 19 118.996 6.562 1.999 1.00 0.00 C ATOM 714 CD GLU B 19 118.517 7.855 2.628 1.00 0.00 C ATOM 715 OE1 GLU B 19 118.701 8.923 2.007 1.00 0.00 O ATOM 716 OE2 GLU B 19 117.956 7.801 3.744 1.00 0.00 O ATOM 0 H GLU B 19 120.789 3.533 2.415 1.00 0.00 H new ATOM 0 HA GLU B 19 120.876 5.567 0.277 1.00 0.00 H new ATOM 0 HB2 GLU B 19 120.582 5.926 3.285 1.00 0.00 H new ATOM 0 HB3 GLU B 19 121.018 7.230 2.198 1.00 0.00 H new ATOM 0 HG2 GLU B 19 118.826 6.601 0.923 1.00 0.00 H new ATOM 0 HG3 GLU B 19 118.403 5.733 2.385 1.00 0.00 H new ATOM 723 N TRP B 20 123.239 6.285 0.935 1.00 0.00 N ATOM 724 CA TRP B 20 124.673 6.408 1.033 1.00 0.00 C ATOM 725 C TRP B 20 125.044 7.320 2.180 1.00 0.00 C ATOM 726 O TRP B 20 124.744 8.514 2.162 1.00 0.00 O ATOM 727 CB TRP B 20 125.280 6.940 -0.267 1.00 0.00 C ATOM 728 CG TRP B 20 125.142 5.946 -1.359 1.00 0.00 C ATOM 729 CD1 TRP B 20 124.422 6.050 -2.516 1.00 0.00 C ATOM 730 CD2 TRP B 20 125.734 4.654 -1.362 1.00 0.00 C ATOM 731 NE1 TRP B 20 124.522 4.876 -3.227 1.00 0.00 N ATOM 732 CE2 TRP B 20 125.332 4.015 -2.537 1.00 0.00 C ATOM 733 CE3 TRP B 20 126.572 3.974 -0.474 1.00 0.00 C ATOM 734 CZ2 TRP B 20 125.734 2.731 -2.845 1.00 0.00 C ATOM 735 CZ3 TRP B 20 126.974 2.699 -0.789 1.00 0.00 C ATOM 736 CH2 TRP B 20 126.556 2.087 -1.968 1.00 0.00 C ATOM 0 H TRP B 20 122.787 7.027 0.401 1.00 0.00 H new ATOM 0 HA TRP B 20 125.078 5.412 1.216 1.00 0.00 H new ATOM 0 HB2 TRP B 20 124.786 7.869 -0.551 1.00 0.00 H new ATOM 0 HB3 TRP B 20 126.333 7.173 -0.113 1.00 0.00 H new ATOM 0 HD1 TRP B 20 123.861 6.920 -2.825 1.00 0.00 H new ATOM 0 HE1 TRP B 20 124.068 4.680 -4.119 1.00 0.00 H new ATOM 0 HE3 TRP B 20 126.897 4.442 0.443 1.00 0.00 H new ATOM 0 HZ2 TRP B 20 125.407 2.250 -3.755 1.00 0.00 H new ATOM 0 HZ3 TRP B 20 127.624 2.163 -0.113 1.00 0.00 H new ATOM 0 HH2 TRP B 20 126.889 1.084 -2.192 1.00 0.00 H new ATOM 747 N VAL B 21 125.719 6.764 3.165 1.00 0.00 N ATOM 748 CA VAL B 21 126.152 7.551 4.301 1.00 0.00 C ATOM 749 C VAL B 21 127.641 7.667 4.296 1.00 0.00 C ATOM 750 O VAL B 21 128.360 6.702 4.088 1.00 0.00 O ATOM 751 CB VAL B 21 125.753 6.981 5.666 1.00 0.00 C ATOM 752 CG1 VAL B 21 125.977 8.026 6.749 1.00 0.00 C ATOM 753 CG2 VAL B 21 124.315 6.503 5.710 1.00 0.00 C ATOM 0 H VAL B 21 125.978 5.778 3.202 1.00 0.00 H new ATOM 0 HA VAL B 21 125.650 8.511 4.183 1.00 0.00 H new ATOM 0 HB VAL B 21 126.386 6.111 5.842 1.00 0.00 H new ATOM 0 HG11 VAL B 21 125.691 7.614 7.717 1.00 0.00 H new ATOM 0 HG12 VAL B 21 127.030 8.307 6.771 1.00 0.00 H new ATOM 0 HG13 VAL B 21 125.371 8.906 6.536 1.00 0.00 H new ATOM 0 HG21 VAL B 21 124.092 6.110 6.702 1.00 0.00 H new ATOM 0 HG22 VAL B 21 123.648 7.337 5.491 1.00 0.00 H new ATOM 0 HG23 VAL B 21 124.170 5.718 4.968 1.00 0.00 H new ATOM 763 N LEU B 22 128.083 8.864 4.531 1.00 0.00 N ATOM 764 CA LEU B 22 129.487 9.164 4.571 1.00 0.00 C ATOM 765 C LEU B 22 130.210 8.232 5.522 1.00 0.00 C ATOM 766 O LEU B 22 129.869 8.121 6.698 1.00 0.00 O ATOM 767 CB LEU B 22 129.658 10.614 4.997 1.00 0.00 C ATOM 768 CG LEU B 22 130.499 11.537 4.077 1.00 0.00 C ATOM 769 CD1 LEU B 22 131.967 11.618 4.465 1.00 0.00 C ATOM 770 CD2 LEU B 22 130.464 11.082 2.644 1.00 0.00 C ATOM 0 H LEU B 22 127.479 9.668 4.702 1.00 0.00 H new ATOM 0 HA LEU B 22 129.923 9.019 3.583 1.00 0.00 H new ATOM 0 HB2 LEU B 22 128.666 11.054 5.098 1.00 0.00 H new ATOM 0 HB3 LEU B 22 130.113 10.622 5.988 1.00 0.00 H new ATOM 0 HG LEU B 22 130.035 12.516 4.198 1.00 0.00 H new ATOM 0 HD11 LEU B 22 132.489 12.282 3.776 1.00 0.00 H new ATOM 0 HD12 LEU B 22 132.054 12.007 5.480 1.00 0.00 H new ATOM 0 HD13 LEU B 22 132.411 10.624 4.418 1.00 0.00 H new ATOM 0 HD21 LEU B 22 131.065 11.756 2.034 1.00 0.00 H new ATOM 0 HD22 LEU B 22 130.866 10.071 2.573 1.00 0.00 H new ATOM 0 HD23 LEU B 22 129.435 11.089 2.285 1.00 0.00 H new ATOM 782 N LEU B 23 131.221 7.575 4.993 1.00 0.00 N ATOM 783 CA LEU B 23 132.030 6.652 5.763 1.00 0.00 C ATOM 784 C LEU B 23 132.651 7.335 6.961 1.00 0.00 C ATOM 785 O LEU B 23 132.786 6.742 8.031 1.00 0.00 O ATOM 786 CB LEU B 23 133.143 6.122 4.888 1.00 0.00 C ATOM 787 CG LEU B 23 134.261 5.371 5.625 1.00 0.00 C ATOM 788 CD1 LEU B 23 133.828 3.999 6.087 1.00 0.00 C ATOM 789 CD2 LEU B 23 135.485 5.246 4.753 1.00 0.00 C ATOM 0 H LEU B 23 131.505 7.665 4.018 1.00 0.00 H new ATOM 0 HA LEU B 23 131.386 5.844 6.111 1.00 0.00 H new ATOM 0 HB2 LEU B 23 132.710 5.454 4.143 1.00 0.00 H new ATOM 0 HB3 LEU B 23 133.586 6.958 4.347 1.00 0.00 H new ATOM 0 HG LEU B 23 134.500 5.961 6.510 1.00 0.00 H new ATOM 0 HD11 LEU B 23 134.655 3.511 6.602 1.00 0.00 H new ATOM 0 HD12 LEU B 23 132.982 4.094 6.768 1.00 0.00 H new ATOM 0 HD13 LEU B 23 133.534 3.401 5.225 1.00 0.00 H new ATOM 0 HD21 LEU B 23 136.265 4.711 5.295 1.00 0.00 H new ATOM 0 HD22 LEU B 23 135.231 4.697 3.846 1.00 0.00 H new ATOM 0 HD23 LEU B 23 135.845 6.240 4.487 1.00 0.00 H new ATOM 801 N SER B 24 133.066 8.572 6.764 1.00 0.00 N ATOM 802 CA SER B 24 133.726 9.333 7.819 1.00 0.00 C ATOM 803 C SER B 24 132.790 9.542 8.998 1.00 0.00 C ATOM 804 O SER B 24 133.244 9.787 10.117 1.00 0.00 O ATOM 805 CB SER B 24 134.197 10.689 7.287 1.00 0.00 C ATOM 806 OG SER B 24 134.956 11.384 8.260 1.00 0.00 O ATOM 0 H SER B 24 132.960 9.076 5.883 1.00 0.00 H new ATOM 0 HA SER B 24 134.592 8.762 8.155 1.00 0.00 H new ATOM 0 HB2 SER B 24 134.798 10.542 6.390 1.00 0.00 H new ATOM 0 HB3 SER B 24 133.334 11.289 6.998 1.00 0.00 H new ATOM 0 HG SER B 24 135.246 12.246 7.894 1.00 0.00 H new ATOM 812 N THR B 25 131.494 9.377 8.772 1.00 0.00 N ATOM 813 CA THR B 25 130.555 9.484 9.874 1.00 0.00 C ATOM 814 C THR B 25 130.773 8.284 10.799 1.00 0.00 C ATOM 815 O THR B 25 130.338 8.273 11.951 1.00 0.00 O ATOM 816 CB THR B 25 129.102 9.531 9.365 1.00 0.00 C ATOM 817 OG1 THR B 25 128.762 10.847 8.970 1.00 0.00 O ATOM 818 CG2 THR B 25 128.055 9.079 10.371 1.00 0.00 C ATOM 0 H THR B 25 131.080 9.174 7.862 1.00 0.00 H new ATOM 0 HA THR B 25 130.728 10.412 10.419 1.00 0.00 H new ATOM 0 HB THR B 25 129.085 8.828 8.532 1.00 0.00 H new ATOM 0 HG1 THR B 25 127.837 10.863 8.647 1.00 0.00 H new ATOM 0 HG21 THR B 25 127.065 9.148 9.921 1.00 0.00 H new ATOM 0 HG22 THR B 25 128.251 8.047 10.661 1.00 0.00 H new ATOM 0 HG23 THR B 25 128.098 9.718 11.253 1.00 0.00 H new ATOM 826 N PHE B 26 131.442 7.262 10.250 1.00 0.00 N ATOM 827 CA PHE B 26 131.721 6.027 10.960 1.00 0.00 C ATOM 828 C PHE B 26 133.156 5.954 11.471 1.00 0.00 C ATOM 829 O PHE B 26 133.465 5.123 12.308 1.00 0.00 O ATOM 830 CB PHE B 26 131.401 4.849 10.037 1.00 0.00 C ATOM 831 CG PHE B 26 129.928 4.800 9.678 1.00 0.00 C ATOM 832 CD1 PHE B 26 129.417 5.605 8.667 1.00 0.00 C ATOM 833 CD2 PHE B 26 129.053 3.958 10.356 1.00 0.00 C ATOM 834 CE1 PHE B 26 128.069 5.575 8.343 1.00 0.00 C ATOM 835 CE2 PHE B 26 127.705 3.922 10.033 1.00 0.00 C ATOM 836 CZ PHE B 26 127.209 4.732 9.028 1.00 0.00 C ATOM 0 H PHE B 26 131.803 7.278 9.296 1.00 0.00 H new ATOM 0 HA PHE B 26 131.089 5.988 11.847 1.00 0.00 H new ATOM 0 HB2 PHE B 26 131.995 4.929 9.126 1.00 0.00 H new ATOM 0 HB3 PHE B 26 131.688 3.917 10.524 1.00 0.00 H new ATOM 0 HD1 PHE B 26 130.080 6.264 8.126 1.00 0.00 H new ATOM 0 HD2 PHE B 26 129.429 3.323 11.145 1.00 0.00 H new ATOM 0 HE1 PHE B 26 127.689 6.209 7.556 1.00 0.00 H new ATOM 0 HE2 PHE B 26 127.041 3.259 10.568 1.00 0.00 H new ATOM 0 HZ PHE B 26 126.158 4.708 8.779 1.00 0.00 H new ATOM 846 N LEU B 27 134.038 6.836 11.024 1.00 0.00 N ATOM 847 CA LEU B 27 135.413 6.805 11.509 1.00 0.00 C ATOM 848 C LEU B 27 135.688 7.954 12.474 1.00 0.00 C ATOM 849 O LEU B 27 136.876 8.209 12.766 1.00 0.00 O ATOM 850 CB LEU B 27 136.395 6.857 10.343 1.00 0.00 C ATOM 851 CG LEU B 27 136.023 5.982 9.144 1.00 0.00 C ATOM 852 CD1 LEU B 27 136.950 6.257 7.983 1.00 0.00 C ATOM 853 CD2 LEU B 27 136.088 4.505 9.498 1.00 0.00 C ATOM 854 OXT LEU B 27 134.715 8.590 12.932 1.00 0.00 O ATOM 0 H LEU B 27 133.835 7.567 10.342 1.00 0.00 H new ATOM 0 HA LEU B 27 135.551 5.867 12.048 1.00 0.00 H new ATOM 0 HB2 LEU B 27 136.482 7.890 10.007 1.00 0.00 H new ATOM 0 HB3 LEU B 27 137.379 6.555 10.702 1.00 0.00 H new ATOM 0 HG LEU B 27 135.000 6.230 8.862 1.00 0.00 H new ATOM 0 HD11 LEU B 27 136.672 5.627 7.138 1.00 0.00 H new ATOM 0 HD12 LEU B 27 136.871 7.305 7.695 1.00 0.00 H new ATOM 0 HD13 LEU B 27 137.976 6.038 8.277 1.00 0.00 H new ATOM 0 HD21 LEU B 27 135.818 3.910 8.626 1.00 0.00 H new ATOM 0 HD22 LEU B 27 137.100 4.250 9.812 1.00 0.00 H new ATOM 0 HD23 LEU B 27 135.392 4.295 10.310 1.00 0.00 H new ATOM 867 N GLY C 1 122.341 5.651 -12.397 1.00 0.00 N ATOM 868 CA GLY C 1 121.225 5.120 -11.570 1.00 0.00 C ATOM 869 C GLY C 1 121.683 4.097 -10.554 1.00 0.00 C ATOM 870 O GLY C 1 121.382 4.220 -9.368 1.00 0.00 O ATOM 0 H1 GLY C 1 121.970 6.347 -13.075 1.00 0.00 H new ATOM 0 H2 GLY C 1 123.043 6.108 -11.781 1.00 0.00 H new ATOM 0 H3 GLY C 1 122.792 4.870 -12.915 1.00 0.00 H new ATOM 0 HA2 GLY C 1 120.737 5.946 -11.052 1.00 0.00 H new ATOM 0 HA3 GLY C 1 120.478 4.668 -12.223 1.00 0.00 H new ATOM 876 N TYR C 2 122.401 3.075 -11.015 1.00 0.00 N ATOM 877 CA TYR C 2 122.889 2.020 -10.126 1.00 0.00 C ATOM 878 C TYR C 2 124.415 1.902 -10.186 1.00 0.00 C ATOM 879 O TYR C 2 125.019 2.110 -11.239 1.00 0.00 O ATOM 880 CB TYR C 2 122.222 0.687 -10.470 1.00 0.00 C ATOM 881 CG TYR C 2 120.859 0.504 -9.826 1.00 0.00 C ATOM 882 CD1 TYR C 2 119.919 1.530 -9.828 1.00 0.00 C ATOM 883 CD2 TYR C 2 120.509 -0.696 -9.221 1.00 0.00 C ATOM 884 CE1 TYR C 2 118.677 1.367 -9.245 1.00 0.00 C ATOM 885 CE2 TYR C 2 119.266 -0.863 -8.637 1.00 0.00 C ATOM 886 CZ TYR C 2 118.357 0.169 -8.650 1.00 0.00 C ATOM 887 OH TYR C 2 117.121 0.001 -8.065 1.00 0.00 O ATOM 0 H TYR C 2 122.658 2.954 -11.995 1.00 0.00 H new ATOM 0 HA TYR C 2 122.623 2.287 -9.103 1.00 0.00 H new ATOM 0 HB2 TYR C 2 122.116 0.612 -11.552 1.00 0.00 H new ATOM 0 HB3 TYR C 2 122.875 -0.128 -10.157 1.00 0.00 H new ATOM 0 HD1 TYR C 2 120.165 2.472 -10.295 1.00 0.00 H new ATOM 0 HD2 TYR C 2 121.218 -1.511 -9.206 1.00 0.00 H new ATOM 0 HE1 TYR C 2 117.961 2.176 -9.256 1.00 0.00 H new ATOM 0 HE2 TYR C 2 119.010 -1.803 -8.171 1.00 0.00 H new ATOM 0 HH TYR C 2 117.207 -0.579 -7.280 1.00 0.00 H new ATOM 897 N ILE C 3 125.036 1.563 -9.052 1.00 0.00 N ATOM 898 CA ILE C 3 126.494 1.416 -8.989 1.00 0.00 C ATOM 899 C ILE C 3 126.894 0.020 -9.418 1.00 0.00 C ATOM 900 O ILE C 3 126.149 -0.934 -9.203 1.00 0.00 O ATOM 901 CB ILE C 3 127.072 1.608 -7.571 1.00 0.00 C ATOM 902 CG1 ILE C 3 126.163 0.995 -6.523 1.00 0.00 C ATOM 903 CG2 ILE C 3 127.345 3.059 -7.232 1.00 0.00 C ATOM 904 CD1 ILE C 3 126.772 1.029 -5.149 1.00 0.00 C ATOM 0 H ILE C 3 124.556 1.386 -8.170 1.00 0.00 H new ATOM 0 HA ILE C 3 126.889 2.190 -9.647 1.00 0.00 H new ATOM 0 HB ILE C 3 128.031 1.089 -7.566 1.00 0.00 H new ATOM 0 HG12 ILE C 3 125.214 1.531 -6.511 1.00 0.00 H new ATOM 0 HG13 ILE C 3 125.943 -0.037 -6.795 1.00 0.00 H new ATOM 0 HG21 ILE C 3 127.750 3.127 -6.222 1.00 0.00 H new ATOM 0 HG22 ILE C 3 128.065 3.469 -7.940 1.00 0.00 H new ATOM 0 HG23 ILE C 3 126.416 3.627 -7.289 1.00 0.00 H new ATOM 0 HD11 ILE C 3 126.083 0.579 -4.434 1.00 0.00 H new ATOM 0 HD12 ILE C 3 127.708 0.470 -5.152 1.00 0.00 H new ATOM 0 HD13 ILE C 3 126.967 2.063 -4.863 1.00 0.00 H new ATOM 916 N PRO C 4 128.088 -0.139 -10.001 1.00 0.00 N ATOM 917 CA PRO C 4 128.566 -1.439 -10.418 1.00 0.00 C ATOM 918 C PRO C 4 129.169 -2.204 -9.250 1.00 0.00 C ATOM 919 O PRO C 4 129.657 -1.622 -8.282 1.00 0.00 O ATOM 920 CB PRO C 4 129.602 -1.133 -11.502 1.00 0.00 C ATOM 921 CG PRO C 4 129.904 0.338 -11.396 1.00 0.00 C ATOM 922 CD PRO C 4 129.070 0.911 -10.272 1.00 0.00 C ATOM 0 HA PRO C 4 127.767 -2.079 -10.792 1.00 0.00 H new ATOM 0 HB2 PRO C 4 130.504 -1.727 -11.356 1.00 0.00 H new ATOM 0 HB3 PRO C 4 129.215 -1.380 -12.491 1.00 0.00 H new ATOM 0 HG2 PRO C 4 130.965 0.495 -11.201 1.00 0.00 H new ATOM 0 HG3 PRO C 4 129.675 0.842 -12.335 1.00 0.00 H new ATOM 0 HD2 PRO C 4 129.677 1.128 -9.393 1.00 0.00 H new ATOM 0 HD3 PRO C 4 128.589 1.844 -10.566 1.00 0.00 H new ATOM 930 N GLU C 5 129.064 -3.520 -9.343 1.00 0.00 N ATOM 931 CA GLU C 5 129.520 -4.426 -8.305 1.00 0.00 C ATOM 932 C GLU C 5 131.007 -4.269 -7.982 1.00 0.00 C ATOM 933 O GLU C 5 131.836 -4.046 -8.863 1.00 0.00 O ATOM 934 CB GLU C 5 129.227 -5.863 -8.732 1.00 0.00 C ATOM 935 CG GLU C 5 129.782 -6.903 -7.782 1.00 0.00 C ATOM 936 CD GLU C 5 128.869 -8.102 -7.630 1.00 0.00 C ATOM 937 OE1 GLU C 5 128.572 -8.755 -8.652 1.00 0.00 O ATOM 938 OE2 GLU C 5 128.451 -8.389 -6.489 1.00 0.00 O ATOM 0 H GLU C 5 128.656 -3.992 -10.150 1.00 0.00 H new ATOM 0 HA GLU C 5 128.978 -4.177 -7.393 1.00 0.00 H new ATOM 0 HB2 GLU C 5 128.148 -5.996 -8.813 1.00 0.00 H new ATOM 0 HB3 GLU C 5 129.644 -6.030 -9.725 1.00 0.00 H new ATOM 0 HG2 GLU C 5 130.755 -7.236 -8.143 1.00 0.00 H new ATOM 0 HG3 GLU C 5 129.943 -6.448 -6.805 1.00 0.00 H new ATOM 945 N ALA C 6 131.317 -4.399 -6.692 1.00 0.00 N ATOM 946 CA ALA C 6 132.684 -4.288 -6.193 1.00 0.00 C ATOM 947 C ALA C 6 133.408 -5.631 -6.215 1.00 0.00 C ATOM 948 O ALA C 6 132.781 -6.685 -6.326 1.00 0.00 O ATOM 949 CB ALA C 6 132.678 -3.745 -4.774 1.00 0.00 C ATOM 0 H ALA C 6 130.626 -4.584 -5.965 1.00 0.00 H new ATOM 0 HA ALA C 6 133.217 -3.604 -6.853 1.00 0.00 H new ATOM 0 HB1 ALA C 6 133.703 -3.666 -4.410 1.00 0.00 H new ATOM 0 HB2 ALA C 6 132.212 -2.760 -4.763 1.00 0.00 H new ATOM 0 HB3 ALA C 6 132.115 -4.419 -4.129 1.00 0.00 H new ATOM 955 N PRO C 7 134.747 -5.608 -6.077 1.00 0.00 N ATOM 956 CA PRO C 7 135.556 -6.827 -6.048 1.00 0.00 C ATOM 957 C PRO C 7 135.123 -7.733 -4.902 1.00 0.00 C ATOM 958 O PRO C 7 134.721 -7.249 -3.844 1.00 0.00 O ATOM 959 CB PRO C 7 136.987 -6.323 -5.818 1.00 0.00 C ATOM 960 CG PRO C 7 136.963 -4.871 -6.161 1.00 0.00 C ATOM 961 CD PRO C 7 135.562 -4.395 -5.903 1.00 0.00 C ATOM 0 HA PRO C 7 135.457 -7.414 -6.961 1.00 0.00 H new ATOM 0 HB2 PRO C 7 137.295 -6.476 -4.784 1.00 0.00 H new ATOM 0 HB3 PRO C 7 137.698 -6.862 -6.445 1.00 0.00 H new ATOM 0 HG2 PRO C 7 137.679 -4.317 -5.554 1.00 0.00 H new ATOM 0 HG3 PRO C 7 137.240 -4.714 -7.203 1.00 0.00 H new ATOM 0 HD2 PRO C 7 135.457 -3.982 -4.900 1.00 0.00 H new ATOM 0 HD3 PRO C 7 135.269 -3.612 -6.602 1.00 0.00 H new ATOM 969 N ARG C 8 135.205 -9.043 -5.102 1.00 0.00 N ATOM 970 CA ARG C 8 134.819 -9.993 -4.064 1.00 0.00 C ATOM 971 C ARG C 8 136.019 -10.786 -3.558 1.00 0.00 C ATOM 972 O ARG C 8 136.047 -12.014 -3.633 1.00 0.00 O ATOM 973 CB ARG C 8 133.707 -10.921 -4.553 1.00 0.00 C ATOM 974 CG ARG C 8 133.571 -11.003 -6.036 1.00 0.00 C ATOM 975 CD ARG C 8 132.153 -10.715 -6.494 1.00 0.00 C ATOM 976 NE ARG C 8 132.095 -9.562 -7.392 1.00 0.00 N ATOM 977 CZ ARG C 8 132.523 -9.578 -8.654 1.00 0.00 C ATOM 978 NH1 ARG C 8 133.002 -10.694 -9.186 1.00 0.00 N ATOM 979 NH2 ARG C 8 132.470 -8.475 -9.389 1.00 0.00 N ATOM 0 H ARG C 8 135.533 -9.471 -5.968 1.00 0.00 H new ATOM 0 HA ARG C 8 134.429 -9.420 -3.223 1.00 0.00 H new ATOM 0 HB2 ARG C 8 133.890 -11.922 -4.163 1.00 0.00 H new ATOM 0 HB3 ARG C 8 132.760 -10.583 -4.133 1.00 0.00 H new ATOM 0 HG2 ARG C 8 134.254 -10.293 -6.502 1.00 0.00 H new ATOM 0 HG3 ARG C 8 133.866 -11.997 -6.373 1.00 0.00 H new ATOM 0 HD2 ARG C 8 131.750 -11.591 -7.002 1.00 0.00 H new ATOM 0 HD3 ARG C 8 131.521 -10.531 -5.625 1.00 0.00 H new ATOM 0 HE ARG C 8 131.703 -8.693 -7.030 1.00 0.00 H new ATOM 0 HH11 ARG C 8 133.045 -11.547 -8.629 1.00 0.00 H new ATOM 0 HH12 ARG C 8 133.328 -10.699 -10.153 1.00 0.00 H new ATOM 0 HH21 ARG C 8 132.101 -7.612 -8.988 1.00 0.00 H new ATOM 0 HH22 ARG C 8 132.798 -8.489 -10.355 1.00 0.00 H new ATOM 993 N ASP C 9 137.004 -10.070 -3.051 1.00 0.00 N ATOM 994 CA ASP C 9 138.229 -10.685 -2.529 1.00 0.00 C ATOM 995 C ASP C 9 138.242 -10.691 -1.009 1.00 0.00 C ATOM 996 O ASP C 9 139.302 -10.796 -0.391 1.00 0.00 O ATOM 997 CB ASP C 9 139.471 -9.941 -3.016 1.00 0.00 C ATOM 998 CG ASP C 9 139.446 -8.465 -2.677 1.00 0.00 C ATOM 999 OD1 ASP C 9 138.736 -7.707 -3.372 1.00 0.00 O ATOM 1000 OD2 ASP C 9 140.147 -8.066 -1.726 1.00 0.00 O ATOM 0 H ASP C 9 136.987 -9.052 -2.985 1.00 0.00 H new ATOM 0 HA ASP C 9 138.244 -11.710 -2.899 1.00 0.00 H new ATOM 0 HB2 ASP C 9 140.357 -10.395 -2.573 1.00 0.00 H new ATOM 0 HB3 ASP C 9 139.559 -10.059 -4.096 1.00 0.00 H new ATOM 1005 N GLY C 10 137.071 -10.594 -0.412 1.00 0.00 N ATOM 1006 CA GLY C 10 136.991 -10.608 1.033 1.00 0.00 C ATOM 1007 C GLY C 10 137.351 -9.272 1.638 1.00 0.00 C ATOM 1008 O GLY C 10 137.558 -9.170 2.845 1.00 0.00 O ATOM 0 H GLY C 10 136.177 -10.506 -0.895 1.00 0.00 H new ATOM 0 HA2 GLY C 10 135.980 -10.882 1.336 1.00 0.00 H new ATOM 0 HA3 GLY C 10 137.660 -11.374 1.425 1.00 0.00 H new ATOM 1012 N GLN C 11 137.425 -8.240 0.804 1.00 0.00 N ATOM 1013 CA GLN C 11 137.748 -6.911 1.288 1.00 0.00 C ATOM 1014 C GLN C 11 136.543 -6.016 1.120 1.00 0.00 C ATOM 1015 O GLN C 11 135.792 -6.145 0.153 1.00 0.00 O ATOM 1016 CB GLN C 11 138.953 -6.327 0.556 1.00 0.00 C ATOM 1017 CG GLN C 11 140.244 -6.262 1.372 1.00 0.00 C ATOM 1018 CD GLN C 11 140.028 -5.927 2.838 1.00 0.00 C ATOM 1019 OE1 GLN C 11 139.740 -4.785 3.196 1.00 0.00 O ATOM 1020 NE2 GLN C 11 140.175 -6.925 3.695 1.00 0.00 N ATOM 0 H GLN C 11 137.266 -8.301 -0.202 1.00 0.00 H new ATOM 0 HA GLN C 11 138.012 -6.979 2.343 1.00 0.00 H new ATOM 0 HB2 GLN C 11 139.137 -6.922 -0.338 1.00 0.00 H new ATOM 0 HB3 GLN C 11 138.702 -5.320 0.223 1.00 0.00 H new ATOM 0 HG2 GLN C 11 140.757 -7.221 1.300 1.00 0.00 H new ATOM 0 HG3 GLN C 11 140.904 -5.514 0.932 1.00 0.00 H new ATOM 0 HE21 GLN C 11 140.414 -7.857 3.356 1.00 0.00 H new ATOM 0 HE22 GLN C 11 140.049 -6.762 4.694 1.00 0.00 H new ATOM 1029 N ALA C 12 136.346 -5.133 2.081 1.00 0.00 N ATOM 1030 CA ALA C 12 135.206 -4.246 2.079 1.00 0.00 C ATOM 1031 C ALA C 12 135.504 -2.956 1.376 1.00 0.00 C ATOM 1032 O ALA C 12 136.577 -2.373 1.514 1.00 0.00 O ATOM 1033 CB ALA C 12 134.777 -3.985 3.507 1.00 0.00 C ATOM 0 H ALA C 12 136.970 -5.013 2.879 1.00 0.00 H new ATOM 0 HA ALA C 12 134.396 -4.728 1.532 1.00 0.00 H new ATOM 0 HB1 ALA C 12 133.917 -3.316 3.512 1.00 0.00 H new ATOM 0 HB2 ALA C 12 134.507 -4.927 3.984 1.00 0.00 H new ATOM 0 HB3 ALA C 12 135.598 -3.524 4.055 1.00 0.00 H new ATOM 1039 N TYR C 13 134.529 -2.533 0.603 1.00 0.00 N ATOM 1040 CA TYR C 13 134.639 -1.324 -0.165 1.00 0.00 C ATOM 1041 C TYR C 13 133.598 -0.311 0.243 1.00 0.00 C ATOM 1042 O TYR C 13 132.491 -0.635 0.673 1.00 0.00 O ATOM 1043 CB TYR C 13 134.505 -1.624 -1.635 1.00 0.00 C ATOM 1044 CG TYR C 13 135.725 -2.299 -2.170 1.00 0.00 C ATOM 1045 CD1 TYR C 13 136.886 -1.591 -2.344 1.00 0.00 C ATOM 1046 CD2 TYR C 13 135.724 -3.643 -2.445 1.00 0.00 C ATOM 1047 CE1 TYR C 13 138.029 -2.201 -2.790 1.00 0.00 C ATOM 1048 CE2 TYR C 13 136.865 -4.283 -2.888 1.00 0.00 C ATOM 1049 CZ TYR C 13 138.022 -3.554 -3.059 1.00 0.00 C ATOM 1050 OH TYR C 13 139.171 -4.173 -3.499 1.00 0.00 O ATOM 0 H TYR C 13 133.640 -3.021 0.493 1.00 0.00 H new ATOM 0 HA TYR C 13 135.623 -0.899 0.032 1.00 0.00 H new ATOM 0 HB2 TYR C 13 133.635 -2.259 -1.800 1.00 0.00 H new ATOM 0 HB3 TYR C 13 134.331 -0.697 -2.182 1.00 0.00 H new ATOM 0 HD1 TYR C 13 136.900 -0.533 -2.126 1.00 0.00 H new ATOM 0 HD2 TYR C 13 134.815 -4.211 -2.313 1.00 0.00 H new ATOM 0 HE1 TYR C 13 138.932 -1.625 -2.930 1.00 0.00 H new ATOM 0 HE2 TYR C 13 136.851 -5.342 -3.098 1.00 0.00 H new ATOM 0 HH TYR C 13 138.995 -5.127 -3.641 1.00 0.00 H new ATOM 1060 N VAL C 14 133.992 0.910 0.073 1.00 0.00 N ATOM 1061 CA VAL C 14 133.197 2.073 0.373 1.00 0.00 C ATOM 1062 C VAL C 14 132.860 2.687 -0.961 1.00 0.00 C ATOM 1063 O VAL C 14 133.583 2.459 -1.933 1.00 0.00 O ATOM 1064 CB VAL C 14 134.067 3.012 1.235 1.00 0.00 C ATOM 1065 CG1 VAL C 14 133.306 3.782 2.303 1.00 0.00 C ATOM 1066 CG2 VAL C 14 135.174 2.183 1.887 1.00 0.00 C ATOM 0 H VAL C 14 134.915 1.141 -0.294 1.00 0.00 H new ATOM 0 HA VAL C 14 132.281 1.859 0.923 1.00 0.00 H new ATOM 0 HB VAL C 14 134.468 3.771 0.563 1.00 0.00 H new ATOM 0 HG11 VAL C 14 133.998 4.415 2.858 1.00 0.00 H new ATOM 0 HG12 VAL C 14 132.545 4.403 1.831 1.00 0.00 H new ATOM 0 HG13 VAL C 14 132.828 3.080 2.987 1.00 0.00 H new ATOM 0 HG21 VAL C 14 135.800 2.831 2.501 1.00 0.00 H new ATOM 0 HG22 VAL C 14 134.729 1.409 2.513 1.00 0.00 H new ATOM 0 HG23 VAL C 14 135.784 1.717 1.113 1.00 0.00 H new ATOM 1076 N ARG C 15 131.771 3.418 -1.061 1.00 0.00 N ATOM 1077 CA ARG C 15 131.418 3.962 -2.352 1.00 0.00 C ATOM 1078 C ARG C 15 131.711 5.453 -2.384 1.00 0.00 C ATOM 1079 O ARG C 15 131.032 6.266 -1.757 1.00 0.00 O ATOM 1080 CB ARG C 15 129.945 3.636 -2.678 1.00 0.00 C ATOM 1081 CG ARG C 15 129.649 3.025 -4.059 1.00 0.00 C ATOM 1082 CD ARG C 15 130.765 3.159 -5.084 1.00 0.00 C ATOM 1083 NE ARG C 15 130.273 3.665 -6.365 1.00 0.00 N ATOM 1084 CZ ARG C 15 130.499 3.078 -7.545 1.00 0.00 C ATOM 1085 NH1 ARG C 15 131.310 2.033 -7.639 1.00 0.00 N ATOM 1086 NH2 ARG C 15 129.916 3.551 -8.640 1.00 0.00 N ATOM 0 H ARG C 15 131.136 3.643 -0.295 1.00 0.00 H new ATOM 0 HA ARG C 15 132.026 3.500 -3.130 1.00 0.00 H new ATOM 0 HB2 ARG C 15 129.575 2.948 -1.918 1.00 0.00 H new ATOM 0 HB3 ARG C 15 129.367 4.555 -2.584 1.00 0.00 H new ATOM 0 HG2 ARG C 15 129.424 1.967 -3.929 1.00 0.00 H new ATOM 0 HG3 ARG C 15 128.751 3.495 -4.461 1.00 0.00 H new ATOM 0 HD2 ARG C 15 131.532 3.831 -4.699 1.00 0.00 H new ATOM 0 HD3 ARG C 15 131.238 2.188 -5.235 1.00 0.00 H new ATOM 0 HE ARG C 15 129.721 4.523 -6.358 1.00 0.00 H new ATOM 0 HH11 ARG C 15 131.770 1.668 -6.805 1.00 0.00 H new ATOM 0 HH12 ARG C 15 131.474 1.594 -8.545 1.00 0.00 H new ATOM 0 HH21 ARG C 15 129.298 4.360 -8.580 1.00 0.00 H new ATOM 0 HH22 ARG C 15 130.086 3.105 -9.542 1.00 0.00 H new ATOM 1100 N LYS C 16 132.763 5.780 -3.140 1.00 0.00 N ATOM 1101 CA LYS C 16 133.221 7.151 -3.304 1.00 0.00 C ATOM 1102 C LYS C 16 133.577 7.464 -4.756 1.00 0.00 C ATOM 1103 O LYS C 16 134.472 6.836 -5.324 1.00 0.00 O ATOM 1104 CB LYS C 16 134.417 7.392 -2.374 1.00 0.00 C ATOM 1105 CG LYS C 16 135.569 8.194 -2.964 1.00 0.00 C ATOM 1106 CD LYS C 16 136.797 8.081 -2.081 1.00 0.00 C ATOM 1107 CE LYS C 16 137.441 9.424 -1.814 1.00 0.00 C ATOM 1108 NZ LYS C 16 138.251 9.405 -0.566 1.00 0.00 N ATOM 0 H LYS C 16 133.318 5.096 -3.654 1.00 0.00 H new ATOM 0 HA LYS C 16 132.409 7.826 -3.034 1.00 0.00 H new ATOM 0 HB2 LYS C 16 134.061 7.907 -1.482 1.00 0.00 H new ATOM 0 HB3 LYS C 16 134.802 6.425 -2.051 1.00 0.00 H new ATOM 0 HG2 LYS C 16 135.798 7.830 -3.966 1.00 0.00 H new ATOM 0 HG3 LYS C 16 135.279 9.240 -3.063 1.00 0.00 H new ATOM 0 HD2 LYS C 16 136.519 7.620 -1.133 1.00 0.00 H new ATOM 0 HD3 LYS C 16 137.523 7.421 -2.556 1.00 0.00 H new ATOM 0 HE2 LYS C 16 138.076 9.697 -2.657 1.00 0.00 H new ATOM 0 HE3 LYS C 16 136.669 10.189 -1.736 1.00 0.00 H new ATOM 0 HZ1 LYS C 16 138.677 10.341 -0.415 1.00 0.00 H new ATOM 0 HZ2 LYS C 16 137.639 9.168 0.241 1.00 0.00 H new ATOM 0 HZ3 LYS C 16 139.003 8.692 -0.651 1.00 0.00 H new ATOM 1122 N ASP C 17 132.928 8.459 -5.340 1.00 0.00 N ATOM 1123 CA ASP C 17 133.254 8.865 -6.706 1.00 0.00 C ATOM 1124 C ASP C 17 133.088 7.723 -7.703 1.00 0.00 C ATOM 1125 O ASP C 17 133.942 7.517 -8.565 1.00 0.00 O ATOM 1126 CB ASP C 17 134.696 9.389 -6.761 1.00 0.00 C ATOM 1127 CG ASP C 17 134.908 10.367 -7.900 1.00 0.00 C ATOM 1128 OD1 ASP C 17 134.141 11.348 -7.991 1.00 0.00 O ATOM 1129 OD2 ASP C 17 135.841 10.151 -8.702 1.00 0.00 O ATOM 0 H ASP C 17 132.181 8.997 -4.900 1.00 0.00 H new ATOM 0 HA ASP C 17 132.556 9.653 -6.988 1.00 0.00 H new ATOM 0 HB2 ASP C 17 134.940 9.876 -5.817 1.00 0.00 H new ATOM 0 HB3 ASP C 17 135.382 8.549 -6.873 1.00 0.00 H new ATOM 1134 N GLY C 18 131.982 7.000 -7.609 1.00 0.00 N ATOM 1135 CA GLY C 18 131.713 5.912 -8.526 1.00 0.00 C ATOM 1136 C GLY C 18 132.696 4.750 -8.455 1.00 0.00 C ATOM 1137 O GLY C 18 132.731 3.931 -9.374 1.00 0.00 O ATOM 0 H GLY C 18 131.259 7.150 -6.906 1.00 0.00 H new ATOM 0 HA2 GLY C 18 130.710 5.532 -8.331 1.00 0.00 H new ATOM 0 HA3 GLY C 18 131.712 6.306 -9.542 1.00 0.00 H new ATOM 1141 N GLU C 19 133.499 4.654 -7.394 1.00 0.00 N ATOM 1142 CA GLU C 19 134.454 3.555 -7.298 1.00 0.00 C ATOM 1143 C GLU C 19 134.416 2.882 -5.938 1.00 0.00 C ATOM 1144 O GLU C 19 133.926 3.447 -4.960 1.00 0.00 O ATOM 1145 CB GLU C 19 135.864 4.064 -7.561 1.00 0.00 C ATOM 1146 CG GLU C 19 136.236 4.096 -9.034 1.00 0.00 C ATOM 1147 CD GLU C 19 137.734 4.032 -9.259 1.00 0.00 C ATOM 1148 OE1 GLU C 19 138.342 2.993 -8.928 1.00 0.00 O ATOM 1149 OE2 GLU C 19 138.300 5.023 -9.767 1.00 0.00 O ATOM 0 H GLU C 19 133.507 5.306 -6.610 1.00 0.00 H new ATOM 0 HA GLU C 19 134.172 2.818 -8.050 1.00 0.00 H new ATOM 0 HB2 GLU C 19 135.961 5.068 -7.149 1.00 0.00 H new ATOM 0 HB3 GLU C 19 136.575 3.431 -7.029 1.00 0.00 H new ATOM 0 HG2 GLU C 19 135.760 3.258 -9.543 1.00 0.00 H new ATOM 0 HG3 GLU C 19 135.843 5.008 -9.484 1.00 0.00 H new ATOM 1156 N TRP C 20 134.955 1.669 -5.888 1.00 0.00 N ATOM 1157 CA TRP C 20 135.007 0.913 -4.655 1.00 0.00 C ATOM 1158 C TRP C 20 136.361 1.082 -3.996 1.00 0.00 C ATOM 1159 O TRP C 20 137.388 0.674 -4.537 1.00 0.00 O ATOM 1160 CB TRP C 20 134.720 -0.566 -4.892 1.00 0.00 C ATOM 1161 CG TRP C 20 133.323 -0.775 -5.336 1.00 0.00 C ATOM 1162 CD1 TRP C 20 132.881 -1.213 -6.548 1.00 0.00 C ATOM 1163 CD2 TRP C 20 132.171 -0.505 -4.554 1.00 0.00 C ATOM 1164 NE1 TRP C 20 131.508 -1.243 -6.556 1.00 0.00 N ATOM 1165 CE2 TRP C 20 131.053 -0.811 -5.338 1.00 0.00 C ATOM 1166 CE3 TRP C 20 131.984 -0.038 -3.253 1.00 0.00 C ATOM 1167 CZ2 TRP C 20 129.762 -0.662 -4.864 1.00 0.00 C ATOM 1168 CZ3 TRP C 20 130.702 0.114 -2.786 1.00 0.00 C ATOM 1169 CH2 TRP C 20 129.606 -0.200 -3.588 1.00 0.00 C ATOM 0 H TRP C 20 135.362 1.192 -6.693 1.00 0.00 H new ATOM 0 HA TRP C 20 134.233 1.301 -3.993 1.00 0.00 H new ATOM 0 HB2 TRP C 20 135.406 -0.956 -5.644 1.00 0.00 H new ATOM 0 HB3 TRP C 20 134.901 -1.126 -3.974 1.00 0.00 H new ATOM 0 HD1 TRP C 20 133.514 -1.494 -7.377 1.00 0.00 H new ATOM 0 HE1 TRP C 20 130.924 -1.538 -7.339 1.00 0.00 H new ATOM 0 HE3 TRP C 20 132.831 0.199 -2.626 1.00 0.00 H new ATOM 0 HZ2 TRP C 20 128.908 -0.902 -5.480 1.00 0.00 H new ATOM 0 HZ3 TRP C 20 130.540 0.482 -1.784 1.00 0.00 H new ATOM 0 HH2 TRP C 20 128.609 -0.075 -3.191 1.00 0.00 H new ATOM 1180 N VAL C 21 136.352 1.698 -2.832 1.00 0.00 N ATOM 1181 CA VAL C 21 137.568 1.946 -2.090 1.00 0.00 C ATOM 1182 C VAL C 21 137.557 1.170 -0.806 1.00 0.00 C ATOM 1183 O VAL C 21 136.571 1.144 -0.082 1.00 0.00 O ATOM 1184 CB VAL C 21 137.739 3.451 -1.829 1.00 0.00 C ATOM 1185 CG1 VAL C 21 137.364 4.201 -3.088 1.00 0.00 C ATOM 1186 CG2 VAL C 21 136.885 3.912 -0.657 1.00 0.00 C ATOM 0 H VAL C 21 135.505 2.039 -2.376 1.00 0.00 H new ATOM 0 HA VAL C 21 138.419 1.610 -2.682 1.00 0.00 H new ATOM 0 HB VAL C 21 138.777 3.655 -1.567 1.00 0.00 H new ATOM 0 HG11 VAL C 21 137.479 5.272 -2.921 1.00 0.00 H new ATOM 0 HG12 VAL C 21 138.014 3.889 -3.905 1.00 0.00 H new ATOM 0 HG13 VAL C 21 136.328 3.983 -3.346 1.00 0.00 H new ATOM 0 HG21 VAL C 21 137.030 4.981 -0.500 1.00 0.00 H new ATOM 0 HG22 VAL C 21 135.835 3.716 -0.873 1.00 0.00 H new ATOM 0 HG23 VAL C 21 137.178 3.370 0.242 1.00 0.00 H new ATOM 1196 N LEU C 22 138.654 0.500 -0.563 1.00 0.00 N ATOM 1197 CA LEU C 22 138.792 -0.331 0.600 1.00 0.00 C ATOM 1198 C LEU C 22 138.439 0.383 1.891 1.00 0.00 C ATOM 1199 O LEU C 22 138.974 1.444 2.205 1.00 0.00 O ATOM 1200 CB LEU C 22 140.195 -0.871 0.661 1.00 0.00 C ATOM 1201 CG LEU C 22 140.292 -2.365 0.367 1.00 0.00 C ATOM 1202 CD1 LEU C 22 141.613 -2.912 0.841 1.00 0.00 C ATOM 1203 CD2 LEU C 22 139.149 -3.124 1.023 1.00 0.00 C ATOM 0 H LEU C 22 139.476 0.517 -1.167 1.00 0.00 H new ATOM 0 HA LEU C 22 138.077 -1.148 0.503 1.00 0.00 H new ATOM 0 HB2 LEU C 22 140.815 -0.329 -0.053 1.00 0.00 H new ATOM 0 HB3 LEU C 22 140.606 -0.677 1.652 1.00 0.00 H new ATOM 0 HG LEU C 22 140.221 -2.500 -0.712 1.00 0.00 H new ATOM 0 HD11 LEU C 22 141.664 -3.979 0.623 1.00 0.00 H new ATOM 0 HD12 LEU C 22 142.425 -2.397 0.328 1.00 0.00 H new ATOM 0 HD13 LEU C 22 141.707 -2.756 1.916 1.00 0.00 H new ATOM 0 HD21 LEU C 22 139.241 -4.187 0.798 1.00 0.00 H new ATOM 0 HD22 LEU C 22 139.187 -2.977 2.102 1.00 0.00 H new ATOM 0 HD23 LEU C 22 138.199 -2.753 0.639 1.00 0.00 H new ATOM 1215 N LEU C 23 137.548 -0.245 2.647 1.00 0.00 N ATOM 1216 CA LEU C 23 137.114 0.273 3.932 1.00 0.00 C ATOM 1217 C LEU C 23 138.288 0.408 4.878 1.00 0.00 C ATOM 1218 O LEU C 23 138.413 1.397 5.599 1.00 0.00 O ATOM 1219 CB LEU C 23 136.097 -0.674 4.549 1.00 0.00 C ATOM 1220 CG LEU C 23 135.630 -0.324 5.974 1.00 0.00 C ATOM 1221 CD1 LEU C 23 135.479 1.170 6.163 1.00 0.00 C ATOM 1222 CD2 LEU C 23 134.311 -0.995 6.292 1.00 0.00 C ATOM 0 H LEU C 23 137.108 -1.127 2.384 1.00 0.00 H new ATOM 0 HA LEU C 23 136.667 1.254 3.771 1.00 0.00 H new ATOM 0 HB2 LEU C 23 135.222 -0.710 3.900 1.00 0.00 H new ATOM 0 HB3 LEU C 23 136.525 -1.676 4.564 1.00 0.00 H new ATOM 0 HG LEU C 23 136.400 -0.689 6.654 1.00 0.00 H new ATOM 0 HD11 LEU C 23 135.148 1.376 7.181 1.00 0.00 H new ATOM 0 HD12 LEU C 23 136.438 1.658 5.987 1.00 0.00 H new ATOM 0 HD13 LEU C 23 134.742 1.553 5.457 1.00 0.00 H new ATOM 0 HD21 LEU C 23 134.003 -0.732 7.304 1.00 0.00 H new ATOM 0 HD22 LEU C 23 133.553 -0.661 5.584 1.00 0.00 H new ATOM 0 HD23 LEU C 23 134.426 -2.076 6.218 1.00 0.00 H new ATOM 1234 N SER C 24 139.134 -0.610 4.900 1.00 0.00 N ATOM 1235 CA SER C 24 140.278 -0.624 5.797 1.00 0.00 C ATOM 1236 C SER C 24 141.266 0.472 5.434 1.00 0.00 C ATOM 1237 O SER C 24 142.030 0.923 6.287 1.00 0.00 O ATOM 1238 CB SER C 24 140.973 -1.987 5.749 1.00 0.00 C ATOM 1239 OG SER C 24 142.077 -2.029 6.635 1.00 0.00 O ATOM 0 H SER C 24 139.050 -1.436 4.308 1.00 0.00 H new ATOM 0 HA SER C 24 139.916 -0.442 6.809 1.00 0.00 H new ATOM 0 HB2 SER C 24 140.262 -2.770 6.012 1.00 0.00 H new ATOM 0 HB3 SER C 24 141.311 -2.191 4.733 1.00 0.00 H new ATOM 0 HG SER C 24 142.502 -2.911 6.586 1.00 0.00 H new ATOM 1245 N THR C 25 141.226 0.943 4.191 1.00 0.00 N ATOM 1246 CA THR C 25 142.107 2.031 3.806 1.00 0.00 C ATOM 1247 C THR C 25 141.650 3.303 4.522 1.00 0.00 C ATOM 1248 O THR C 25 142.393 4.278 4.639 1.00 0.00 O ATOM 1249 CB THR C 25 142.109 2.239 2.284 1.00 0.00 C ATOM 1250 OG1 THR C 25 142.798 1.181 1.641 1.00 0.00 O ATOM 1251 CG2 THR C 25 142.752 3.535 1.833 1.00 0.00 C ATOM 0 H THR C 25 140.610 0.598 3.455 1.00 0.00 H new ATOM 0 HA THR C 25 143.128 1.785 4.097 1.00 0.00 H new ATOM 0 HB THR C 25 141.055 2.270 2.007 1.00 0.00 H new ATOM 0 HG1 THR C 25 142.789 1.326 0.672 1.00 0.00 H new ATOM 0 HG21 THR C 25 142.711 3.602 0.746 1.00 0.00 H new ATOM 0 HG22 THR C 25 142.216 4.378 2.269 1.00 0.00 H new ATOM 0 HG23 THR C 25 143.792 3.558 2.159 1.00 0.00 H new ATOM 1259 N PHE C 26 140.398 3.265 4.994 1.00 0.00 N ATOM 1260 CA PHE C 26 139.780 4.384 5.700 1.00 0.00 C ATOM 1261 C PHE C 26 139.870 4.211 7.210 1.00 0.00 C ATOM 1262 O PHE C 26 139.426 5.066 7.973 1.00 0.00 O ATOM 1263 CB PHE C 26 138.327 4.545 5.243 1.00 0.00 C ATOM 1264 CG PHE C 26 138.256 5.230 3.895 1.00 0.00 C ATOM 1265 CD1 PHE C 26 138.521 4.522 2.729 1.00 0.00 C ATOM 1266 CD2 PHE C 26 137.964 6.583 3.794 1.00 0.00 C ATOM 1267 CE1 PHE C 26 138.491 5.149 1.492 1.00 0.00 C ATOM 1268 CE2 PHE C 26 137.927 7.211 2.560 1.00 0.00 C ATOM 1269 CZ PHE C 26 138.192 6.492 1.409 1.00 0.00 C ATOM 0 H PHE C 26 139.787 2.454 4.895 1.00 0.00 H new ATOM 0 HA PHE C 26 140.328 5.294 5.454 1.00 0.00 H new ATOM 0 HB2 PHE C 26 137.850 3.567 5.184 1.00 0.00 H new ATOM 0 HB3 PHE C 26 137.772 5.126 5.980 1.00 0.00 H new ATOM 0 HD1 PHE C 26 138.754 3.469 2.787 1.00 0.00 H new ATOM 0 HD2 PHE C 26 137.763 7.153 4.689 1.00 0.00 H new ATOM 0 HE1 PHE C 26 138.702 4.586 0.595 1.00 0.00 H new ATOM 0 HE2 PHE C 26 137.691 8.263 2.497 1.00 0.00 H new ATOM 0 HZ PHE C 26 138.165 6.982 0.447 1.00 0.00 H new ATOM 1279 N LEU C 27 140.467 3.110 7.635 1.00 0.00 N ATOM 1280 CA LEU C 27 140.630 2.831 9.049 1.00 0.00 C ATOM 1281 C LEU C 27 142.086 2.989 9.473 1.00 0.00 C ATOM 1282 O LEU C 27 142.335 3.671 10.490 1.00 0.00 O ATOM 1283 CB LEU C 27 140.142 1.418 9.338 1.00 0.00 C ATOM 1284 CG LEU C 27 139.109 1.292 10.454 1.00 0.00 C ATOM 1285 CD1 LEU C 27 137.987 2.311 10.321 1.00 0.00 C ATOM 1286 CD2 LEU C 27 138.534 -0.100 10.473 1.00 0.00 C ATOM 1287 OXT LEU C 27 142.967 2.431 8.785 1.00 0.00 O ATOM 0 H LEU C 27 140.848 2.393 7.017 1.00 0.00 H new ATOM 0 HA LEU C 27 140.040 3.546 9.622 1.00 0.00 H new ATOM 0 HB2 LEU C 27 139.715 1.006 8.424 1.00 0.00 H new ATOM 0 HB3 LEU C 27 141.003 0.801 9.593 1.00 0.00 H new ATOM 0 HG LEU C 27 139.624 1.492 11.393 1.00 0.00 H new ATOM 0 HD11 LEU C 27 137.278 2.180 11.138 1.00 0.00 H new ATOM 0 HD12 LEU C 27 138.403 3.318 10.359 1.00 0.00 H new ATOM 0 HD13 LEU C 27 137.475 2.166 9.370 1.00 0.00 H new ATOM 0 HD21 LEU C 27 137.798 -0.179 11.273 1.00 0.00 H new ATOM 0 HD22 LEU C 27 138.054 -0.309 9.517 1.00 0.00 H new ATOM 0 HD23 LEU C 27 139.333 -0.821 10.643 1.00 0.00 H new