USER MOD reduce.3.24.130724 H: found=0, std=0, add=633, rem=0, adj=16 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 Set 1.1: C 11 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Set 1.2: C 13 TYR OH : rot 180:sc= 0 USER MOD Set 2.1: B 11 GLN : amide:sc= -3.97 K(o=-4.2,f=-14!) USER MOD Set 2.2: B 24 SER OG : rot -129:sc= -0.27 USER MOD Single : A 2 TYR OH : rot 180:sc= 0 USER MOD Single : A 11 GLN : amide:sc= -2.88! C(o=-2.9!,f=-6.9!) USER MOD Single : A 13 TYR OH : rot -170:sc= -0.362 USER MOD Single : A 16 LYS NZ :NH3+ 152:sc= -0.0655 (180deg=-0.743!) 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+ -98:sc= 0.0376 (180deg=0) USER MOD Single : B 2 TYR OH : rot -147:sc= 0.237 USER MOD Single : B 13 TYR OH : rot 180:sc=-3.72e-05 USER MOD Single : B 16 LYS NZ :NH3+ 148:sc= 0 (180deg=-0.0946) USER MOD Single : B 25 THR OG1 : rot 180:sc= 0 USER MOD Single : C 1 GLY N :NH3+ 172:sc= 0 (180deg=-0.0655) USER MOD Single : C 2 TYR OH : rot 180:sc= 0 USER MOD Single : C 16 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : C 24 SER OG : rot 180:sc= -0.158 USER MOD Single : C 25 THR OG1 : rot 180:sc= 0 USER MOD ----------------------------------------------------------------- ATOM 10 N TYR A 2 126.498 -4.949 -11.640 1.00 0.00 N ATOM 11 CA TYR A 2 126.167 -4.146 -10.461 1.00 0.00 C ATOM 12 C TYR A 2 125.929 -5.018 -9.223 1.00 0.00 C ATOM 13 O TYR A 2 125.650 -6.211 -9.335 1.00 0.00 O ATOM 14 CB TYR A 2 124.927 -3.279 -10.718 1.00 0.00 C ATOM 15 CG TYR A 2 125.116 -2.157 -11.724 1.00 0.00 C ATOM 16 CD1 TYR A 2 126.228 -2.089 -12.557 1.00 0.00 C ATOM 17 CD2 TYR A 2 124.162 -1.159 -11.832 1.00 0.00 C ATOM 18 CE1 TYR A 2 126.378 -1.057 -13.466 1.00 0.00 C ATOM 19 CE2 TYR A 2 124.303 -0.124 -12.737 1.00 0.00 C ATOM 20 CZ TYR A 2 125.413 -0.077 -13.551 1.00 0.00 C ATOM 21 OH TYR A 2 125.558 0.952 -14.453 1.00 0.00 O ATOM 0 HA TYR A 2 127.026 -3.503 -10.269 1.00 0.00 H new ATOM 0 HB2 TYR A 2 124.119 -3.923 -11.065 1.00 0.00 H new ATOM 0 HB3 TYR A 2 124.605 -2.845 -9.771 1.00 0.00 H new ATOM 0 HD1 TYR A 2 126.987 -2.855 -12.493 1.00 0.00 H new ATOM 0 HD2 TYR A 2 123.290 -1.190 -11.196 1.00 0.00 H new ATOM 0 HE1 TYR A 2 127.247 -1.020 -14.106 1.00 0.00 H new ATOM 0 HE2 TYR A 2 123.547 0.644 -12.806 1.00 0.00 H new ATOM 0 HH TYR A 2 124.790 1.557 -14.386 1.00 0.00 H new ATOM 31 N ILE A 3 126.013 -4.398 -8.043 1.00 0.00 N ATOM 32 CA ILE A 3 125.771 -5.098 -6.776 1.00 0.00 C ATOM 33 C ILE A 3 124.302 -4.988 -6.372 1.00 0.00 C ATOM 34 O ILE A 3 123.630 -4.019 -6.722 1.00 0.00 O ATOM 35 CB ILE A 3 126.589 -4.516 -5.603 1.00 0.00 C ATOM 36 CG1 ILE A 3 126.594 -3.002 -5.644 1.00 0.00 C ATOM 37 CG2 ILE A 3 128.005 -5.037 -5.560 1.00 0.00 C ATOM 38 CD1 ILE A 3 127.376 -2.379 -4.516 1.00 0.00 C ATOM 0 H ILE A 3 126.247 -3.411 -7.937 1.00 0.00 H new ATOM 0 HA ILE A 3 126.069 -6.131 -6.956 1.00 0.00 H new ATOM 0 HB ILE A 3 126.094 -4.850 -4.691 1.00 0.00 H new ATOM 0 HG12 ILE A 3 127.014 -2.672 -6.594 1.00 0.00 H new ATOM 0 HG13 ILE A 3 125.566 -2.641 -5.608 1.00 0.00 H new ATOM 0 HG21 ILE A 3 128.531 -4.593 -4.715 1.00 0.00 H new ATOM 0 HG22 ILE A 3 127.991 -6.121 -5.449 1.00 0.00 H new ATOM 0 HG23 ILE A 3 128.518 -4.774 -6.485 1.00 0.00 H new ATOM 0 HD11 ILE A 3 127.340 -1.293 -4.604 1.00 0.00 H new ATOM 0 HD12 ILE A 3 126.942 -2.680 -3.563 1.00 0.00 H new ATOM 0 HD13 ILE A 3 128.413 -2.712 -4.564 1.00 0.00 H new ATOM 50 N PRO A 4 123.789 -5.958 -5.595 1.00 0.00 N ATOM 51 CA PRO A 4 122.418 -5.937 -5.115 1.00 0.00 C ATOM 52 C PRO A 4 122.296 -5.138 -3.813 1.00 0.00 C ATOM 53 O PRO A 4 123.260 -4.980 -3.075 1.00 0.00 O ATOM 54 CB PRO A 4 122.083 -7.417 -4.904 1.00 0.00 C ATOM 55 CG PRO A 4 123.396 -8.155 -4.938 1.00 0.00 C ATOM 56 CD PRO A 4 124.499 -7.133 -5.101 1.00 0.00 C ATOM 0 HA PRO A 4 121.734 -5.451 -5.811 1.00 0.00 H new ATOM 0 HB2 PRO A 4 121.576 -7.569 -3.951 1.00 0.00 H new ATOM 0 HB3 PRO A 4 121.413 -7.779 -5.683 1.00 0.00 H new ATOM 0 HG2 PRO A 4 123.537 -8.726 -4.020 1.00 0.00 H new ATOM 0 HG3 PRO A 4 123.412 -8.868 -5.762 1.00 0.00 H new ATOM 0 HD2 PRO A 4 125.005 -6.931 -4.157 1.00 0.00 H new ATOM 0 HD3 PRO A 4 125.260 -7.470 -5.805 1.00 0.00 H new ATOM 64 N GLU A 5 121.100 -4.597 -3.592 1.00 0.00 N ATOM 65 CA GLU A 5 120.786 -3.749 -2.442 1.00 0.00 C ATOM 66 C GLU A 5 121.019 -4.409 -1.081 1.00 0.00 C ATOM 67 O GLU A 5 120.748 -5.593 -0.881 1.00 0.00 O ATOM 68 CB GLU A 5 119.338 -3.265 -2.566 1.00 0.00 C ATOM 69 CG GLU A 5 118.794 -2.564 -1.332 1.00 0.00 C ATOM 70 CD GLU A 5 118.788 -1.053 -1.464 1.00 0.00 C ATOM 71 OE1 GLU A 5 118.043 -0.534 -2.322 1.00 0.00 O ATOM 72 OE2 GLU A 5 119.530 -0.389 -0.705 1.00 0.00 O ATOM 0 H GLU A 5 120.307 -4.738 -4.218 1.00 0.00 H new ATOM 0 HA GLU A 5 121.483 -2.911 -2.469 1.00 0.00 H new ATOM 0 HB2 GLU A 5 119.268 -2.584 -3.414 1.00 0.00 H new ATOM 0 HB3 GLU A 5 118.701 -4.121 -2.791 1.00 0.00 H new ATOM 0 HG2 GLU A 5 117.778 -2.911 -1.142 1.00 0.00 H new ATOM 0 HG3 GLU A 5 119.394 -2.845 -0.467 1.00 0.00 H new ATOM 79 N ALA A 6 121.508 -3.587 -0.145 1.00 0.00 N ATOM 80 CA ALA A 6 121.776 -4.009 1.228 1.00 0.00 C ATOM 81 C ALA A 6 120.525 -3.866 2.106 1.00 0.00 C ATOM 82 O ALA A 6 119.594 -3.138 1.766 1.00 0.00 O ATOM 83 CB ALA A 6 122.925 -3.194 1.820 1.00 0.00 C ATOM 0 H ALA A 6 121.729 -2.607 -0.323 1.00 0.00 H new ATOM 0 HA ALA A 6 122.059 -5.061 1.205 1.00 0.00 H new ATOM 0 HB1 ALA A 6 123.113 -3.520 2.843 1.00 0.00 H new ATOM 0 HB2 ALA A 6 123.823 -3.343 1.221 1.00 0.00 H new ATOM 0 HB3 ALA A 6 122.660 -2.137 1.819 1.00 0.00 H new ATOM 89 N PRO A 7 120.495 -4.567 3.254 1.00 0.00 N ATOM 90 CA PRO A 7 119.362 -4.522 4.195 1.00 0.00 C ATOM 91 C PRO A 7 119.008 -3.099 4.636 1.00 0.00 C ATOM 92 O PRO A 7 119.867 -2.218 4.669 1.00 0.00 O ATOM 93 CB PRO A 7 119.864 -5.322 5.401 1.00 0.00 C ATOM 94 CG PRO A 7 120.947 -6.198 4.874 1.00 0.00 C ATOM 95 CD PRO A 7 121.568 -5.463 3.719 1.00 0.00 C ATOM 0 HA PRO A 7 118.455 -4.917 3.737 1.00 0.00 H new ATOM 0 HB2 PRO A 7 120.239 -4.661 6.182 1.00 0.00 H new ATOM 0 HB3 PRO A 7 119.061 -5.913 5.842 1.00 0.00 H new ATOM 0 HG2 PRO A 7 121.688 -6.405 5.646 1.00 0.00 H new ATOM 0 HG3 PRO A 7 120.546 -7.159 4.552 1.00 0.00 H new ATOM 0 HD2 PRO A 7 122.450 -4.903 4.029 1.00 0.00 H new ATOM 0 HD3 PRO A 7 121.885 -6.148 2.933 1.00 0.00 H new ATOM 103 N ARG A 8 117.735 -2.885 4.980 1.00 0.00 N ATOM 104 CA ARG A 8 117.259 -1.575 5.427 1.00 0.00 C ATOM 105 C ARG A 8 116.882 -1.602 6.899 1.00 0.00 C ATOM 106 O ARG A 8 115.752 -1.283 7.274 1.00 0.00 O ATOM 107 CB ARG A 8 116.058 -1.139 4.613 1.00 0.00 C ATOM 108 CG ARG A 8 116.384 -0.166 3.492 1.00 0.00 C ATOM 109 CD ARG A 8 116.478 -0.845 2.136 1.00 0.00 C ATOM 110 NE ARG A 8 116.860 -2.255 2.229 1.00 0.00 N ATOM 111 CZ ARG A 8 116.030 -3.273 2.000 1.00 0.00 C ATOM 112 NH1 ARG A 8 114.751 -3.056 1.715 1.00 0.00 N ATOM 113 NH2 ARG A 8 116.482 -4.518 2.061 1.00 0.00 N ATOM 0 H ARG A 8 117.014 -3.606 4.957 1.00 0.00 H new ATOM 0 HA ARG A 8 118.073 -0.864 5.284 1.00 0.00 H new ATOM 0 HB2 ARG A 8 115.583 -2.022 4.186 1.00 0.00 H new ATOM 0 HB3 ARG A 8 115.330 -0.677 5.280 1.00 0.00 H new ATOM 0 HG2 ARG A 8 115.618 0.608 3.454 1.00 0.00 H new ATOM 0 HG3 ARG A 8 117.329 0.331 3.711 1.00 0.00 H new ATOM 0 HD2 ARG A 8 115.516 -0.767 1.629 1.00 0.00 H new ATOM 0 HD3 ARG A 8 117.206 -0.317 1.521 1.00 0.00 H new ATOM 0 HE ARG A 8 117.823 -2.473 2.485 1.00 0.00 H new ATOM 0 HH11 ARG A 8 114.393 -2.102 1.669 1.00 0.00 H new ATOM 0 HH12 ARG A 8 114.126 -3.844 1.542 1.00 0.00 H new ATOM 0 HH21 ARG A 8 117.462 -4.695 2.283 1.00 0.00 H new ATOM 0 HH22 ARG A 8 115.850 -5.299 1.886 1.00 0.00 H new ATOM 127 N ASP A 9 117.833 -1.965 7.730 1.00 0.00 N ATOM 128 CA ASP A 9 117.601 -2.011 9.162 1.00 0.00 C ATOM 129 C ASP A 9 118.281 -0.831 9.858 1.00 0.00 C ATOM 130 O ASP A 9 118.461 -0.841 11.076 1.00 0.00 O ATOM 131 CB ASP A 9 118.129 -3.309 9.774 1.00 0.00 C ATOM 132 CG ASP A 9 119.597 -3.537 9.473 1.00 0.00 C ATOM 133 OD1 ASP A 9 120.099 -2.955 8.489 1.00 0.00 O ATOM 134 OD2 ASP A 9 120.244 -4.299 10.222 1.00 0.00 O ATOM 0 H ASP A 9 118.774 -2.233 7.443 1.00 0.00 H new ATOM 0 HA ASP A 9 116.522 -1.959 9.311 1.00 0.00 H new ATOM 0 HB2 ASP A 9 117.982 -3.284 10.854 1.00 0.00 H new ATOM 0 HB3 ASP A 9 117.548 -4.149 9.393 1.00 0.00 H new ATOM 139 N GLY A 10 118.658 0.180 9.082 1.00 0.00 N ATOM 140 CA GLY A 10 119.315 1.346 9.644 1.00 0.00 C ATOM 141 C GLY A 10 120.788 1.120 9.906 1.00 0.00 C ATOM 142 O GLY A 10 121.419 1.910 10.605 1.00 0.00 O ATOM 0 H GLY A 10 118.520 0.213 8.072 1.00 0.00 H new ATOM 0 HA2 GLY A 10 119.197 2.188 8.962 1.00 0.00 H new ATOM 0 HA3 GLY A 10 118.823 1.620 10.577 1.00 0.00 H new ATOM 146 N GLN A 11 121.348 0.048 9.346 1.00 0.00 N ATOM 147 CA GLN A 11 122.765 -0.234 9.535 1.00 0.00 C ATOM 148 C GLN A 11 123.536 0.051 8.263 1.00 0.00 C ATOM 149 O GLN A 11 122.971 0.079 7.173 1.00 0.00 O ATOM 150 CB GLN A 11 123.008 -1.669 9.953 1.00 0.00 C ATOM 151 CG GLN A 11 123.301 -1.848 11.431 1.00 0.00 C ATOM 152 CD GLN A 11 122.906 -3.224 11.925 1.00 0.00 C ATOM 153 OE1 GLN A 11 123.152 -4.229 11.259 1.00 0.00 O ATOM 154 NE2 GLN A 11 122.280 -3.277 13.093 1.00 0.00 N ATOM 0 H GLN A 11 120.849 -0.628 8.767 1.00 0.00 H new ATOM 0 HA GLN A 11 123.114 0.419 10.335 1.00 0.00 H new ATOM 0 HB2 GLN A 11 122.132 -2.264 9.694 1.00 0.00 H new ATOM 0 HB3 GLN A 11 123.845 -2.066 9.378 1.00 0.00 H new ATOM 0 HG2 GLN A 11 124.364 -1.689 11.612 1.00 0.00 H new ATOM 0 HG3 GLN A 11 122.764 -1.090 12.001 1.00 0.00 H new ATOM 0 HE21 GLN A 11 122.096 -2.419 13.612 1.00 0.00 H new ATOM 0 HE22 GLN A 11 121.982 -4.176 13.472 1.00 0.00 H new ATOM 163 N ALA A 12 124.825 0.278 8.419 1.00 0.00 N ATOM 164 CA ALA A 12 125.693 0.585 7.298 1.00 0.00 C ATOM 165 C ALA A 12 126.461 -0.618 6.818 1.00 0.00 C ATOM 166 O ALA A 12 126.981 -1.409 7.606 1.00 0.00 O ATOM 167 CB ALA A 12 126.627 1.733 7.651 1.00 0.00 C ATOM 0 H ALA A 12 125.299 0.255 9.322 1.00 0.00 H new ATOM 0 HA ALA A 12 125.057 0.895 6.468 1.00 0.00 H new ATOM 0 HB1 ALA A 12 127.272 1.952 6.800 1.00 0.00 H new ATOM 0 HB2 ALA A 12 126.039 2.617 7.898 1.00 0.00 H new ATOM 0 HB3 ALA A 12 127.239 1.453 8.508 1.00 0.00 H new ATOM 173 N TYR A 13 126.504 -0.755 5.506 1.00 0.00 N ATOM 174 CA TYR A 13 127.177 -1.861 4.875 1.00 0.00 C ATOM 175 C TYR A 13 128.286 -1.410 3.954 1.00 0.00 C ATOM 176 O TYR A 13 128.233 -0.357 3.322 1.00 0.00 O ATOM 177 CB TYR A 13 126.204 -2.690 4.088 1.00 0.00 C ATOM 178 CG TYR A 13 125.291 -3.462 4.978 1.00 0.00 C ATOM 179 CD1 TYR A 13 125.770 -4.545 5.670 1.00 0.00 C ATOM 180 CD2 TYR A 13 123.982 -3.097 5.146 1.00 0.00 C ATOM 181 CE1 TYR A 13 124.968 -5.258 6.517 1.00 0.00 C ATOM 182 CE2 TYR A 13 123.154 -3.798 5.998 1.00 0.00 C ATOM 183 CZ TYR A 13 123.654 -4.883 6.687 1.00 0.00 C ATOM 184 OH TYR A 13 122.840 -5.593 7.541 1.00 0.00 O ATOM 0 H TYR A 13 126.072 -0.101 4.854 1.00 0.00 H new ATOM 0 HA TYR A 13 127.616 -2.454 5.677 1.00 0.00 H new ATOM 0 HB2 TYR A 13 125.616 -2.042 3.438 1.00 0.00 H new ATOM 0 HB3 TYR A 13 126.751 -3.378 3.443 1.00 0.00 H new ATOM 0 HD1 TYR A 13 126.801 -4.840 5.543 1.00 0.00 H new ATOM 0 HD2 TYR A 13 123.592 -2.248 4.604 1.00 0.00 H new ATOM 0 HE1 TYR A 13 125.363 -6.111 7.050 1.00 0.00 H new ATOM 0 HE2 TYR A 13 122.124 -3.500 6.124 1.00 0.00 H new ATOM 0 HH TYR A 13 121.912 -5.300 7.427 1.00 0.00 H new ATOM 194 N VAL A 14 129.264 -2.260 3.883 1.00 0.00 N ATOM 195 CA VAL A 14 130.436 -2.083 3.065 1.00 0.00 C ATOM 196 C VAL A 14 130.335 -3.124 1.976 1.00 0.00 C ATOM 197 O VAL A 14 129.618 -4.111 2.157 1.00 0.00 O ATOM 198 CB VAL A 14 131.664 -2.320 3.962 1.00 0.00 C ATOM 199 CG1 VAL A 14 132.878 -1.486 3.595 1.00 0.00 C ATOM 200 CG2 VAL A 14 131.233 -2.053 5.404 1.00 0.00 C ATOM 0 H VAL A 14 129.273 -3.132 4.412 1.00 0.00 H new ATOM 0 HA VAL A 14 130.521 -1.090 2.624 1.00 0.00 H new ATOM 0 HB VAL A 14 131.992 -3.350 3.823 1.00 0.00 H new ATOM 0 HG11 VAL A 14 133.697 -1.715 4.277 1.00 0.00 H new ATOM 0 HG12 VAL A 14 133.182 -1.715 2.573 1.00 0.00 H new ATOM 0 HG13 VAL A 14 132.629 -0.428 3.671 1.00 0.00 H new ATOM 0 HG21 VAL A 14 132.080 -2.211 6.072 1.00 0.00 H new ATOM 0 HG22 VAL A 14 130.886 -1.024 5.495 1.00 0.00 H new ATOM 0 HG23 VAL A 14 130.425 -2.733 5.674 1.00 0.00 H new ATOM 210 N ARG A 15 130.984 -2.940 0.843 1.00 0.00 N ATOM 211 CA ARG A 15 130.833 -3.933 -0.199 1.00 0.00 C ATOM 212 C ARG A 15 132.089 -4.780 -0.318 1.00 0.00 C ATOM 213 O ARG A 15 133.123 -4.349 -0.827 1.00 0.00 O ATOM 214 CB ARG A 15 130.466 -3.255 -1.535 1.00 0.00 C ATOM 215 CG ARG A 15 129.327 -3.900 -2.340 1.00 0.00 C ATOM 216 CD ARG A 15 128.931 -5.284 -1.849 1.00 0.00 C ATOM 217 NE ARG A 15 128.637 -6.229 -2.931 1.00 0.00 N ATOM 218 CZ ARG A 15 127.471 -6.876 -3.061 1.00 0.00 C ATOM 219 NH1 ARG A 15 126.477 -6.643 -2.211 1.00 0.00 N ATOM 220 NH2 ARG A 15 127.288 -7.753 -4.033 1.00 0.00 N ATOM 0 H ARG A 15 131.593 -2.151 0.626 1.00 0.00 H new ATOM 0 HA ARG A 15 130.015 -4.603 0.066 1.00 0.00 H new ATOM 0 HB2 ARG A 15 130.195 -2.220 -1.329 1.00 0.00 H new ATOM 0 HB3 ARG A 15 131.357 -3.232 -2.162 1.00 0.00 H new ATOM 0 HG2 ARG A 15 128.454 -3.248 -2.302 1.00 0.00 H new ATOM 0 HG3 ARG A 15 129.628 -3.969 -3.385 1.00 0.00 H new ATOM 0 HD2 ARG A 15 129.737 -5.687 -1.235 1.00 0.00 H new ATOM 0 HD3 ARG A 15 128.055 -5.196 -1.207 1.00 0.00 H new ATOM 0 HE ARG A 15 129.363 -6.404 -3.626 1.00 0.00 H new ATOM 0 HH11 ARG A 15 126.600 -5.969 -1.455 1.00 0.00 H new ATOM 0 HH12 ARG A 15 125.591 -7.138 -2.314 1.00 0.00 H new ATOM 0 HH21 ARG A 15 128.040 -7.944 -4.696 1.00 0.00 H new ATOM 0 HH22 ARG A 15 126.395 -8.239 -4.120 1.00 0.00 H new ATOM 234 N LYS A 16 131.944 -6.021 0.151 1.00 0.00 N ATOM 235 CA LYS A 16 133.004 -7.017 0.118 1.00 0.00 C ATOM 236 C LYS A 16 132.453 -8.372 -0.308 1.00 0.00 C ATOM 237 O LYS A 16 131.373 -8.764 0.132 1.00 0.00 O ATOM 238 CB LYS A 16 133.674 -7.116 1.490 1.00 0.00 C ATOM 239 CG LYS A 16 133.806 -8.524 2.039 1.00 0.00 C ATOM 240 CD LYS A 16 133.906 -8.499 3.552 1.00 0.00 C ATOM 241 CE LYS A 16 135.315 -8.789 4.039 1.00 0.00 C ATOM 242 NZ LYS A 16 135.570 -8.210 5.386 1.00 0.00 N ATOM 0 H LYS A 16 131.077 -6.361 0.567 1.00 0.00 H new ATOM 0 HA LYS A 16 133.750 -6.709 -0.614 1.00 0.00 H new ATOM 0 HB2 LYS A 16 134.668 -6.673 1.425 1.00 0.00 H new ATOM 0 HB3 LYS A 16 133.104 -6.517 2.200 1.00 0.00 H new ATOM 0 HG2 LYS A 16 132.946 -9.121 1.736 1.00 0.00 H new ATOM 0 HG3 LYS A 16 134.690 -9.003 1.618 1.00 0.00 H new ATOM 0 HD2 LYS A 16 133.590 -7.522 3.919 1.00 0.00 H new ATOM 0 HD3 LYS A 16 133.220 -9.234 3.972 1.00 0.00 H new ATOM 0 HE2 LYS A 16 135.472 -9.867 4.072 1.00 0.00 H new ATOM 0 HE3 LYS A 16 136.035 -8.384 3.328 1.00 0.00 H new ATOM 0 HZ1 LYS A 16 136.288 -8.779 5.878 1.00 0.00 H new ATOM 0 HZ2 LYS A 16 135.912 -7.233 5.285 1.00 0.00 H new ATOM 0 HZ3 LYS A 16 134.688 -8.213 5.938 1.00 0.00 H new ATOM 256 N ASP A 17 133.198 -9.105 -1.118 1.00 0.00 N ATOM 257 CA ASP A 17 132.799 -10.441 -1.545 1.00 0.00 C ATOM 258 C ASP A 17 131.338 -10.518 -1.972 1.00 0.00 C ATOM 259 O ASP A 17 130.628 -11.458 -1.614 1.00 0.00 O ATOM 260 CB ASP A 17 133.095 -11.487 -0.451 1.00 0.00 C ATOM 261 CG ASP A 17 132.964 -11.010 0.969 1.00 0.00 C ATOM 262 OD1 ASP A 17 131.834 -10.667 1.378 1.00 0.00 O ATOM 263 OD2 ASP A 17 133.981 -11.032 1.693 1.00 0.00 O ATOM 0 H ASP A 17 134.092 -8.795 -1.498 1.00 0.00 H new ATOM 0 HA ASP A 17 133.400 -10.669 -2.425 1.00 0.00 H new ATOM 0 HB2 ASP A 17 132.422 -12.333 -0.593 1.00 0.00 H new ATOM 0 HB3 ASP A 17 134.109 -11.859 -0.596 1.00 0.00 H new ATOM 268 N GLY A 18 130.901 -9.552 -2.770 1.00 0.00 N ATOM 269 CA GLY A 18 129.544 -9.552 -3.270 1.00 0.00 C ATOM 270 C GLY A 18 128.480 -9.466 -2.193 1.00 0.00 C ATOM 271 O GLY A 18 127.318 -9.778 -2.457 1.00 0.00 O ATOM 0 H GLY A 18 131.469 -8.764 -3.081 1.00 0.00 H new ATOM 0 HA2 GLY A 18 129.421 -8.711 -3.953 1.00 0.00 H new ATOM 0 HA3 GLY A 18 129.384 -10.460 -3.851 1.00 0.00 H new ATOM 275 N GLU A 19 128.847 -9.063 -0.980 1.00 0.00 N ATOM 276 CA GLU A 19 127.868 -8.980 0.084 1.00 0.00 C ATOM 277 C GLU A 19 127.982 -7.678 0.844 1.00 0.00 C ATOM 278 O GLU A 19 129.003 -6.992 0.789 1.00 0.00 O ATOM 279 CB GLU A 19 128.064 -10.137 1.049 1.00 0.00 C ATOM 280 CG GLU A 19 127.601 -11.477 0.502 1.00 0.00 C ATOM 281 CD GLU A 19 127.819 -12.614 1.481 1.00 0.00 C ATOM 282 OE1 GLU A 19 128.986 -13.008 1.683 1.00 0.00 O ATOM 283 OE2 GLU A 19 126.821 -13.109 2.046 1.00 0.00 O ATOM 0 H GLU A 19 129.796 -8.795 -0.718 1.00 0.00 H new ATOM 0 HA GLU A 19 126.878 -9.028 -0.369 1.00 0.00 H new ATOM 0 HB2 GLU A 19 129.120 -10.206 1.309 1.00 0.00 H new ATOM 0 HB3 GLU A 19 127.523 -9.925 1.971 1.00 0.00 H new ATOM 0 HG2 GLU A 19 126.542 -11.416 0.251 1.00 0.00 H new ATOM 0 HG3 GLU A 19 128.136 -11.692 -0.423 1.00 0.00 H new ATOM 290 N TRP A 20 126.926 -7.357 1.572 1.00 0.00 N ATOM 291 CA TRP A 20 126.900 -6.155 2.369 1.00 0.00 C ATOM 292 C TRP A 20 127.343 -6.477 3.785 1.00 0.00 C ATOM 293 O TRP A 20 126.688 -7.234 4.501 1.00 0.00 O ATOM 294 CB TRP A 20 125.514 -5.505 2.345 1.00 0.00 C ATOM 295 CG TRP A 20 125.234 -4.920 1.002 1.00 0.00 C ATOM 296 CD1 TRP A 20 124.254 -5.257 0.111 1.00 0.00 C ATOM 297 CD2 TRP A 20 126.000 -3.896 0.389 1.00 0.00 C ATOM 298 NE1 TRP A 20 124.374 -4.480 -1.022 1.00 0.00 N ATOM 299 CE2 TRP A 20 125.437 -3.642 -0.868 1.00 0.00 C ATOM 300 CE3 TRP A 20 127.113 -3.163 0.792 1.00 0.00 C ATOM 301 CZ2 TRP A 20 125.952 -2.687 -1.727 1.00 0.00 C ATOM 302 CZ3 TRP A 20 127.623 -2.222 -0.058 1.00 0.00 C ATOM 303 CH2 TRP A 20 127.043 -1.987 -1.304 1.00 0.00 C ATOM 0 H TRP A 20 126.076 -7.918 1.624 1.00 0.00 H new ATOM 0 HA TRP A 20 127.595 -5.431 1.944 1.00 0.00 H new ATOM 0 HB2 TRP A 20 124.754 -6.247 2.591 1.00 0.00 H new ATOM 0 HB3 TRP A 20 125.458 -4.727 3.106 1.00 0.00 H new ATOM 0 HD1 TRP A 20 123.501 -6.015 0.270 1.00 0.00 H new ATOM 0 HE1 TRP A 20 123.767 -4.525 -1.840 1.00 0.00 H new ATOM 0 HE3 TRP A 20 127.565 -3.335 1.758 1.00 0.00 H new ATOM 0 HZ2 TRP A 20 125.507 -2.503 -2.694 1.00 0.00 H new ATOM 0 HZ3 TRP A 20 128.490 -1.651 0.240 1.00 0.00 H new ATOM 0 HH2 TRP A 20 127.468 -1.233 -1.949 1.00 0.00 H new ATOM 314 N VAL A 21 128.484 -5.924 4.164 1.00 0.00 N ATOM 315 CA VAL A 21 129.060 -6.172 5.479 1.00 0.00 C ATOM 316 C VAL A 21 128.924 -4.977 6.365 1.00 0.00 C ATOM 317 O VAL A 21 129.213 -3.851 5.977 1.00 0.00 O ATOM 318 CB VAL A 21 130.548 -6.561 5.364 1.00 0.00 C ATOM 319 CG1 VAL A 21 130.711 -7.509 4.217 1.00 0.00 C ATOM 320 CG2 VAL A 21 131.424 -5.339 5.146 1.00 0.00 C ATOM 0 H VAL A 21 129.033 -5.297 3.577 1.00 0.00 H new ATOM 0 HA VAL A 21 128.508 -7.001 5.922 1.00 0.00 H new ATOM 0 HB VAL A 21 130.860 -7.033 6.296 1.00 0.00 H new ATOM 0 HG11 VAL A 21 131.760 -7.792 4.125 1.00 0.00 H new ATOM 0 HG12 VAL A 21 130.109 -8.400 4.393 1.00 0.00 H new ATOM 0 HG13 VAL A 21 130.383 -7.026 3.296 1.00 0.00 H new ATOM 0 HG21 VAL A 21 132.467 -5.648 5.069 1.00 0.00 H new ATOM 0 HG22 VAL A 21 131.126 -4.837 4.226 1.00 0.00 H new ATOM 0 HG23 VAL A 21 131.309 -4.654 5.986 1.00 0.00 H new ATOM 330 N LEU A 22 128.473 -5.240 7.562 1.00 0.00 N ATOM 331 CA LEU A 22 128.283 -4.204 8.530 1.00 0.00 C ATOM 332 C LEU A 22 129.551 -3.386 8.699 1.00 0.00 C ATOM 333 O LEU A 22 130.606 -3.915 9.046 1.00 0.00 O ATOM 334 CB LEU A 22 127.865 -4.836 9.848 1.00 0.00 C ATOM 335 CG LEU A 22 126.374 -4.731 10.169 1.00 0.00 C ATOM 336 CD1 LEU A 22 126.106 -5.042 11.631 1.00 0.00 C ATOM 337 CD2 LEU A 22 125.846 -3.352 9.822 1.00 0.00 C ATOM 0 H LEU A 22 128.229 -6.175 7.889 1.00 0.00 H new ATOM 0 HA LEU A 22 127.501 -3.525 8.190 1.00 0.00 H new ATOM 0 HB2 LEU A 22 128.145 -5.889 9.834 1.00 0.00 H new ATOM 0 HB3 LEU A 22 128.429 -4.367 10.654 1.00 0.00 H new ATOM 0 HG LEU A 22 125.851 -5.469 9.561 1.00 0.00 H new ATOM 0 HD11 LEU A 22 125.038 -4.960 11.831 1.00 0.00 H new ATOM 0 HD12 LEU A 22 126.440 -6.055 11.855 1.00 0.00 H new ATOM 0 HD13 LEU A 22 126.648 -4.335 12.259 1.00 0.00 H new ATOM 0 HD21 LEU A 22 124.783 -3.299 10.058 1.00 0.00 H new ATOM 0 HD22 LEU A 22 126.384 -2.600 10.400 1.00 0.00 H new ATOM 0 HD23 LEU A 22 125.991 -3.164 8.758 1.00 0.00 H new ATOM 349 N LEU A 23 129.438 -2.093 8.460 1.00 0.00 N ATOM 350 CA LEU A 23 130.570 -1.196 8.595 1.00 0.00 C ATOM 351 C LEU A 23 131.089 -1.231 10.018 1.00 0.00 C ATOM 352 O LEU A 23 132.292 -1.322 10.251 1.00 0.00 O ATOM 353 CB LEU A 23 130.115 0.219 8.252 1.00 0.00 C ATOM 354 CG LEU A 23 131.161 1.339 8.357 1.00 0.00 C ATOM 355 CD1 LEU A 23 132.553 0.859 7.997 1.00 0.00 C ATOM 356 CD2 LEU A 23 130.766 2.497 7.461 1.00 0.00 C ATOM 0 H LEU A 23 128.571 -1.640 8.171 1.00 0.00 H new ATOM 0 HA LEU A 23 131.368 -1.506 7.921 1.00 0.00 H new ATOM 0 HB2 LEU A 23 129.729 0.212 7.233 1.00 0.00 H new ATOM 0 HB3 LEU A 23 129.281 0.473 8.906 1.00 0.00 H new ATOM 0 HG LEU A 23 131.188 1.666 9.396 1.00 0.00 H new ATOM 0 HD11 LEU A 23 133.257 1.686 8.086 1.00 0.00 H new ATOM 0 HD12 LEU A 23 132.848 0.057 8.674 1.00 0.00 H new ATOM 0 HD13 LEU A 23 132.556 0.488 6.972 1.00 0.00 H new ATOM 0 HD21 LEU A 23 131.511 3.288 7.539 1.00 0.00 H new ATOM 0 HD22 LEU A 23 130.708 2.154 6.428 1.00 0.00 H new ATOM 0 HD23 LEU A 23 129.794 2.882 7.771 1.00 0.00 H new ATOM 368 N SER A 24 130.169 -1.162 10.973 1.00 0.00 N ATOM 369 CA SER A 24 130.522 -1.194 12.384 1.00 0.00 C ATOM 370 C SER A 24 131.443 -2.369 12.689 1.00 0.00 C ATOM 371 O SER A 24 132.231 -2.319 13.633 1.00 0.00 O ATOM 372 CB SER A 24 129.259 -1.277 13.244 1.00 0.00 C ATOM 373 OG SER A 24 128.531 -2.462 12.971 1.00 0.00 O ATOM 0 H SER A 24 129.168 -1.083 10.793 1.00 0.00 H new ATOM 0 HA SER A 24 131.054 -0.273 12.622 1.00 0.00 H new ATOM 0 HB2 SER A 24 129.532 -1.249 14.299 1.00 0.00 H new ATOM 0 HB3 SER A 24 128.629 -0.408 13.055 1.00 0.00 H new ATOM 0 HG SER A 24 127.730 -2.491 13.535 1.00 0.00 H new ATOM 379 N THR A 25 131.354 -3.424 11.879 1.00 0.00 N ATOM 380 CA THR A 25 132.210 -4.582 12.091 1.00 0.00 C ATOM 381 C THR A 25 133.662 -4.209 11.803 1.00 0.00 C ATOM 382 O THR A 25 134.593 -4.878 12.251 1.00 0.00 O ATOM 383 CB THR A 25 131.774 -5.761 11.212 1.00 0.00 C ATOM 384 OG1 THR A 25 130.513 -6.253 11.632 1.00 0.00 O ATOM 385 CG2 THR A 25 132.737 -6.930 11.213 1.00 0.00 C ATOM 0 H THR A 25 130.713 -3.498 11.089 1.00 0.00 H new ATOM 0 HA THR A 25 132.120 -4.893 13.132 1.00 0.00 H new ATOM 0 HB THR A 25 131.739 -5.354 10.201 1.00 0.00 H new ATOM 0 HG1 THR A 25 130.248 -7.004 11.060 1.00 0.00 H new ATOM 0 HG21 THR A 25 132.352 -7.719 10.567 1.00 0.00 H new ATOM 0 HG22 THR A 25 133.709 -6.601 10.845 1.00 0.00 H new ATOM 0 HG23 THR A 25 132.844 -7.312 12.228 1.00 0.00 H new ATOM 393 N PHE A 26 133.838 -3.113 11.066 1.00 0.00 N ATOM 394 CA PHE A 26 135.161 -2.612 10.723 1.00 0.00 C ATOM 395 C PHE A 26 135.559 -1.488 11.671 1.00 0.00 C ATOM 396 O PHE A 26 136.615 -0.898 11.536 1.00 0.00 O ATOM 397 CB PHE A 26 135.197 -2.121 9.269 1.00 0.00 C ATOM 398 CG PHE A 26 134.956 -3.230 8.259 1.00 0.00 C ATOM 399 CD1 PHE A 26 133.719 -3.862 8.146 1.00 0.00 C ATOM 400 CD2 PHE A 26 135.987 -3.649 7.429 1.00 0.00 C ATOM 401 CE1 PHE A 26 133.525 -4.889 7.223 1.00 0.00 C ATOM 402 CE2 PHE A 26 135.798 -4.665 6.510 1.00 0.00 C ATOM 403 CZ PHE A 26 134.570 -5.288 6.406 1.00 0.00 C ATOM 0 H PHE A 26 133.071 -2.553 10.694 1.00 0.00 H new ATOM 0 HA PHE A 26 135.875 -3.429 10.825 1.00 0.00 H new ATOM 0 HB2 PHE A 26 134.443 -1.346 9.135 1.00 0.00 H new ATOM 0 HB3 PHE A 26 136.165 -1.661 9.071 1.00 0.00 H new ATOM 0 HD1 PHE A 26 132.902 -3.553 8.780 1.00 0.00 H new ATOM 0 HD2 PHE A 26 136.954 -3.173 7.502 1.00 0.00 H new ATOM 0 HE1 PHE A 26 132.562 -5.372 7.145 1.00 0.00 H new ATOM 0 HE2 PHE A 26 136.613 -4.972 5.872 1.00 0.00 H new ATOM 0 HZ PHE A 26 134.425 -6.084 5.690 1.00 0.00 H new ATOM 413 N LEU A 27 134.715 -1.191 12.644 1.00 0.00 N ATOM 414 CA LEU A 27 135.018 -0.134 13.591 1.00 0.00 C ATOM 415 C LEU A 27 135.194 -0.687 15.001 1.00 0.00 C ATOM 416 O LEU A 27 135.952 -0.078 15.785 1.00 0.00 O ATOM 417 CB LEU A 27 133.912 0.914 13.556 1.00 0.00 C ATOM 418 CG LEU A 27 134.369 2.319 13.173 1.00 0.00 C ATOM 419 CD1 LEU A 27 135.207 2.322 11.900 1.00 0.00 C ATOM 420 CD2 LEU A 27 133.182 3.234 13.016 1.00 0.00 C ATOM 421 OXT LEU A 27 134.572 -1.725 15.311 1.00 0.00 O ATOM 0 H LEU A 27 133.823 -1.662 12.798 1.00 0.00 H new ATOM 0 HA LEU A 27 135.961 0.331 13.304 1.00 0.00 H new ATOM 0 HB2 LEU A 27 133.148 0.591 12.849 1.00 0.00 H new ATOM 0 HB3 LEU A 27 133.440 0.956 14.538 1.00 0.00 H new ATOM 0 HG LEU A 27 135.001 2.685 13.982 1.00 0.00 H new ATOM 0 HD11 LEU A 27 135.510 3.343 11.666 1.00 0.00 H new ATOM 0 HD12 LEU A 27 136.094 1.705 12.047 1.00 0.00 H new ATOM 0 HD13 LEU A 27 134.618 1.920 11.076 1.00 0.00 H new ATOM 0 HD21 LEU A 27 133.525 4.232 12.743 1.00 0.00 H new ATOM 0 HD22 LEU A 27 132.527 2.849 12.235 1.00 0.00 H new ATOM 0 HD23 LEU A 27 132.634 3.284 13.957 1.00 0.00 H new ATOM 434 N GLY B 1 117.352 -7.457 -5.130 1.00 0.00 N ATOM 435 CA GLY B 1 117.264 -5.977 -5.273 1.00 0.00 C ATOM 436 C GLY B 1 118.616 -5.340 -5.527 1.00 0.00 C ATOM 437 O GLY B 1 119.647 -5.904 -5.164 1.00 0.00 O ATOM 0 H1 GLY B 1 117.105 -7.908 -6.034 1.00 0.00 H new ATOM 0 H2 GLY B 1 118.321 -7.723 -4.863 1.00 0.00 H new ATOM 0 H3 GLY B 1 116.691 -7.774 -4.393 1.00 0.00 H new ATOM 0 HA2 GLY B 1 116.590 -5.733 -6.095 1.00 0.00 H new ATOM 0 HA3 GLY B 1 116.829 -5.552 -4.368 1.00 0.00 H new ATOM 443 N TYR B 2 118.614 -4.169 -6.159 1.00 0.00 N ATOM 444 CA TYR B 2 119.853 -3.453 -6.469 1.00 0.00 C ATOM 445 C TYR B 2 119.767 -1.989 -6.038 1.00 0.00 C ATOM 446 O TYR B 2 118.722 -1.351 -6.166 1.00 0.00 O ATOM 447 CB TYR B 2 120.156 -3.544 -7.958 1.00 0.00 C ATOM 448 CG TYR B 2 120.984 -4.746 -8.363 1.00 0.00 C ATOM 449 CD1 TYR B 2 120.623 -6.035 -7.986 1.00 0.00 C ATOM 450 CD2 TYR B 2 122.126 -4.589 -9.137 1.00 0.00 C ATOM 451 CE1 TYR B 2 121.378 -7.129 -8.365 1.00 0.00 C ATOM 452 CE2 TYR B 2 122.884 -5.678 -9.521 1.00 0.00 C ATOM 453 CZ TYR B 2 122.508 -6.944 -9.132 1.00 0.00 C ATOM 454 OH TYR B 2 123.264 -8.029 -9.511 1.00 0.00 O ATOM 0 H TYR B 2 117.767 -3.693 -6.468 1.00 0.00 H new ATOM 0 HA TYR B 2 120.663 -3.924 -5.911 1.00 0.00 H new ATOM 0 HB2 TYR B 2 119.214 -3.568 -8.506 1.00 0.00 H new ATOM 0 HB3 TYR B 2 120.680 -2.639 -8.264 1.00 0.00 H new ATOM 0 HD1 TYR B 2 119.737 -6.184 -7.387 1.00 0.00 H new ATOM 0 HD2 TYR B 2 122.427 -3.598 -9.444 1.00 0.00 H new ATOM 0 HE1 TYR B 2 121.084 -8.123 -8.062 1.00 0.00 H new ATOM 0 HE2 TYR B 2 123.769 -5.537 -10.124 1.00 0.00 H new ATOM 0 HH TYR B 2 124.207 -7.769 -9.562 1.00 0.00 H new ATOM 464 N ILE B 3 120.877 -1.471 -5.523 1.00 0.00 N ATOM 465 CA ILE B 3 120.950 -0.084 -5.061 1.00 0.00 C ATOM 466 C ILE B 3 121.352 0.881 -6.158 1.00 0.00 C ATOM 467 O ILE B 3 121.988 0.501 -7.140 1.00 0.00 O ATOM 468 CB ILE B 3 121.965 0.115 -3.932 1.00 0.00 C ATOM 469 CG1 ILE B 3 123.319 -0.477 -4.305 1.00 0.00 C ATOM 470 CG2 ILE B 3 121.464 -0.453 -2.629 1.00 0.00 C ATOM 471 CD1 ILE B 3 124.310 -0.479 -3.166 1.00 0.00 C ATOM 0 H ILE B 3 121.746 -1.993 -5.413 1.00 0.00 H new ATOM 0 HA ILE B 3 119.938 0.124 -4.713 1.00 0.00 H new ATOM 0 HB ILE B 3 122.093 1.188 -3.791 1.00 0.00 H new ATOM 0 HG12 ILE B 3 123.176 -1.500 -4.653 1.00 0.00 H new ATOM 0 HG13 ILE B 3 123.737 0.088 -5.138 1.00 0.00 H new ATOM 0 HG21 ILE B 3 122.211 -0.293 -1.851 1.00 0.00 H new ATOM 0 HG22 ILE B 3 120.536 0.044 -2.348 1.00 0.00 H new ATOM 0 HG23 ILE B 3 121.283 -1.522 -2.744 1.00 0.00 H new ATOM 0 HD11 ILE B 3 125.251 -0.914 -3.503 1.00 0.00 H new ATOM 0 HD12 ILE B 3 124.482 0.544 -2.832 1.00 0.00 H new ATOM 0 HD13 ILE B 3 123.913 -1.068 -2.339 1.00 0.00 H new ATOM 483 N PRO B 4 121.023 2.168 -5.969 1.00 0.00 N ATOM 484 CA PRO B 4 121.383 3.218 -6.898 1.00 0.00 C ATOM 485 C PRO B 4 122.756 3.788 -6.553 1.00 0.00 C ATOM 486 O PRO B 4 123.193 3.749 -5.403 1.00 0.00 O ATOM 487 CB PRO B 4 120.271 4.236 -6.699 1.00 0.00 C ATOM 488 CG PRO B 4 119.902 4.106 -5.249 1.00 0.00 C ATOM 489 CD PRO B 4 120.311 2.714 -4.802 1.00 0.00 C ATOM 0 HA PRO B 4 121.466 2.889 -7.934 1.00 0.00 H new ATOM 0 HB2 PRO B 4 120.609 5.245 -6.934 1.00 0.00 H new ATOM 0 HB3 PRO B 4 119.419 4.026 -7.346 1.00 0.00 H new ATOM 0 HG2 PRO B 4 120.409 4.865 -4.654 1.00 0.00 H new ATOM 0 HG3 PRO B 4 118.831 4.255 -5.110 1.00 0.00 H new ATOM 0 HD2 PRO B 4 120.953 2.749 -3.922 1.00 0.00 H new ATOM 0 HD3 PRO B 4 119.444 2.106 -4.541 1.00 0.00 H new ATOM 497 N GLU B 5 123.450 4.258 -7.583 1.00 0.00 N ATOM 498 CA GLU B 5 124.804 4.776 -7.442 1.00 0.00 C ATOM 499 C GLU B 5 124.900 5.929 -6.441 1.00 0.00 C ATOM 500 O GLU B 5 123.963 6.708 -6.265 1.00 0.00 O ATOM 501 CB GLU B 5 125.336 5.208 -8.817 1.00 0.00 C ATOM 502 CG GLU B 5 126.579 6.091 -8.770 1.00 0.00 C ATOM 503 CD GLU B 5 127.802 5.434 -9.386 1.00 0.00 C ATOM 504 OE1 GLU B 5 127.854 5.326 -10.629 1.00 0.00 O ATOM 505 OE2 GLU B 5 128.713 5.026 -8.621 1.00 0.00 O ATOM 0 H GLU B 5 123.090 4.290 -8.537 1.00 0.00 H new ATOM 0 HA GLU B 5 125.421 3.971 -7.042 1.00 0.00 H new ATOM 0 HB2 GLU B 5 125.562 4.316 -9.401 1.00 0.00 H new ATOM 0 HB3 GLU B 5 124.547 5.743 -9.345 1.00 0.00 H new ATOM 0 HG2 GLU B 5 126.374 7.025 -9.293 1.00 0.00 H new ATOM 0 HG3 GLU B 5 126.796 6.348 -7.733 1.00 0.00 H new ATOM 512 N ALA B 6 126.067 6.016 -5.795 1.00 0.00 N ATOM 513 CA ALA B 6 126.349 7.053 -4.808 1.00 0.00 C ATOM 514 C ALA B 6 126.989 8.294 -5.439 1.00 0.00 C ATOM 515 O ALA B 6 127.663 8.208 -6.466 1.00 0.00 O ATOM 516 CB ALA B 6 127.256 6.511 -3.715 1.00 0.00 C ATOM 0 H ALA B 6 126.840 5.368 -5.944 1.00 0.00 H new ATOM 0 HA ALA B 6 125.393 7.353 -4.378 1.00 0.00 H new ATOM 0 HB1 ALA B 6 127.457 7.296 -2.986 1.00 0.00 H new ATOM 0 HB2 ALA B 6 126.767 5.673 -3.219 1.00 0.00 H new ATOM 0 HB3 ALA B 6 128.195 6.175 -4.155 1.00 0.00 H new ATOM 522 N PRO B 7 126.780 9.468 -4.814 1.00 0.00 N ATOM 523 CA PRO B 7 127.329 10.742 -5.288 1.00 0.00 C ATOM 524 C PRO B 7 128.820 10.669 -5.626 1.00 0.00 C ATOM 525 O PRO B 7 129.556 9.853 -5.070 1.00 0.00 O ATOM 526 CB PRO B 7 127.123 11.710 -4.112 1.00 0.00 C ATOM 527 CG PRO B 7 126.401 10.960 -3.038 1.00 0.00 C ATOM 528 CD PRO B 7 125.981 9.629 -3.592 1.00 0.00 C ATOM 0 HA PRO B 7 126.834 11.047 -6.210 1.00 0.00 H new ATOM 0 HB2 PRO B 7 128.081 12.078 -3.745 1.00 0.00 H new ATOM 0 HB3 PRO B 7 126.547 12.580 -4.427 1.00 0.00 H new ATOM 0 HG2 PRO B 7 127.047 10.823 -2.171 1.00 0.00 H new ATOM 0 HG3 PRO B 7 125.530 11.523 -2.702 1.00 0.00 H new ATOM 0 HD2 PRO B 7 126.176 8.825 -2.882 1.00 0.00 H new ATOM 0 HD3 PRO B 7 124.913 9.610 -3.811 1.00 0.00 H new ATOM 536 N ARG B 8 129.253 11.539 -6.539 1.00 0.00 N ATOM 537 CA ARG B 8 130.652 11.602 -6.966 1.00 0.00 C ATOM 538 C ARG B 8 131.306 12.892 -6.496 1.00 0.00 C ATOM 539 O ARG B 8 131.676 13.750 -7.299 1.00 0.00 O ATOM 540 CB ARG B 8 130.739 11.514 -8.476 1.00 0.00 C ATOM 541 CG ARG B 8 130.820 10.092 -8.999 1.00 0.00 C ATOM 542 CD ARG B 8 129.455 9.436 -9.064 1.00 0.00 C ATOM 543 NE ARG B 8 129.502 8.156 -9.764 1.00 0.00 N ATOM 544 CZ ARG B 8 129.734 8.032 -11.070 1.00 0.00 C ATOM 545 NH1 ARG B 8 129.918 9.109 -11.824 1.00 0.00 N ATOM 546 NH2 ARG B 8 129.779 6.828 -11.623 1.00 0.00 N ATOM 0 H ARG B 8 128.648 12.217 -7.002 1.00 0.00 H new ATOM 0 HA ARG B 8 131.180 10.759 -6.519 1.00 0.00 H new ATOM 0 HB2 ARG B 8 129.867 12.003 -8.911 1.00 0.00 H new ATOM 0 HB3 ARG B 8 131.616 12.067 -8.814 1.00 0.00 H new ATOM 0 HG2 ARG B 8 131.269 10.095 -9.992 1.00 0.00 H new ATOM 0 HG3 ARG B 8 131.475 9.505 -8.355 1.00 0.00 H new ATOM 0 HD2 ARG B 8 129.076 9.284 -8.053 1.00 0.00 H new ATOM 0 HD3 ARG B 8 128.755 10.102 -9.570 1.00 0.00 H new ATOM 0 HE ARG B 8 129.348 7.306 -9.221 1.00 0.00 H new ATOM 0 HH11 ARG B 8 129.882 10.038 -11.404 1.00 0.00 H new ATOM 0 HH12 ARG B 8 130.095 9.008 -12.823 1.00 0.00 H new ATOM 0 HH21 ARG B 8 129.636 5.997 -11.049 1.00 0.00 H new ATOM 0 HH22 ARG B 8 129.957 6.732 -12.623 1.00 0.00 H new ATOM 560 N ASP B 9 131.451 13.016 -5.192 1.00 0.00 N ATOM 561 CA ASP B 9 132.069 14.192 -4.597 1.00 0.00 C ATOM 562 C ASP B 9 133.432 13.855 -3.989 1.00 0.00 C ATOM 563 O ASP B 9 134.006 14.662 -3.257 1.00 0.00 O ATOM 564 CB ASP B 9 131.179 14.776 -3.500 1.00 0.00 C ATOM 565 CG ASP B 9 130.874 13.770 -2.407 1.00 0.00 C ATOM 566 OD1 ASP B 9 130.718 12.573 -2.729 1.00 0.00 O ATOM 567 OD2 ASP B 9 130.790 14.180 -1.231 1.00 0.00 O ATOM 0 H ASP B 9 131.148 12.314 -4.517 1.00 0.00 H new ATOM 0 HA ASP B 9 132.200 14.922 -5.395 1.00 0.00 H new ATOM 0 HB2 ASP B 9 131.669 15.646 -3.063 1.00 0.00 H new ATOM 0 HB3 ASP B 9 130.245 15.124 -3.941 1.00 0.00 H new ATOM 572 N GLY B 10 133.941 12.664 -4.283 1.00 0.00 N ATOM 573 CA GLY B 10 135.226 12.257 -3.741 1.00 0.00 C ATOM 574 C GLY B 10 135.116 11.780 -2.311 1.00 0.00 C ATOM 575 O GLY B 10 136.128 11.527 -1.656 1.00 0.00 O ATOM 0 H GLY B 10 133.490 11.975 -4.884 1.00 0.00 H new ATOM 0 HA2 GLY B 10 135.643 11.460 -4.357 1.00 0.00 H new ATOM 0 HA3 GLY B 10 135.921 13.095 -3.790 1.00 0.00 H new ATOM 579 N GLN B 11 133.887 11.642 -1.824 1.00 0.00 N ATOM 580 CA GLN B 11 133.666 11.175 -0.469 1.00 0.00 C ATOM 581 C GLN B 11 133.263 9.721 -0.509 1.00 0.00 C ATOM 582 O GLN B 11 132.673 9.257 -1.484 1.00 0.00 O ATOM 583 CB GLN B 11 132.574 11.968 0.215 1.00 0.00 C ATOM 584 CG GLN B 11 133.046 13.064 1.167 1.00 0.00 C ATOM 585 CD GLN B 11 134.004 12.575 2.255 1.00 0.00 C ATOM 586 OE1 GLN B 11 133.572 12.186 3.339 1.00 0.00 O ATOM 587 NE2 GLN B 11 135.303 12.609 2.003 1.00 0.00 N ATOM 0 H GLN B 11 133.036 11.847 -2.348 1.00 0.00 H new ATOM 0 HA GLN B 11 134.591 11.305 0.093 1.00 0.00 H new ATOM 0 HB2 GLN B 11 131.947 12.424 -0.552 1.00 0.00 H new ATOM 0 HB3 GLN B 11 131.943 11.276 0.772 1.00 0.00 H new ATOM 0 HG2 GLN B 11 133.538 13.846 0.589 1.00 0.00 H new ATOM 0 HG3 GLN B 11 132.176 13.518 1.641 1.00 0.00 H new ATOM 0 HE21 GLN B 11 135.638 12.935 1.097 1.00 0.00 H new ATOM 0 HE22 GLN B 11 135.969 12.309 2.715 1.00 0.00 H new ATOM 596 N ALA B 12 133.577 9.013 0.552 1.00 0.00 N ATOM 597 CA ALA B 12 133.260 7.602 0.661 1.00 0.00 C ATOM 598 C ALA B 12 131.945 7.385 1.348 1.00 0.00 C ATOM 599 O ALA B 12 131.647 7.996 2.371 1.00 0.00 O ATOM 600 CB ALA B 12 134.376 6.850 1.368 1.00 0.00 C ATOM 0 H ALA B 12 134.059 9.396 1.365 1.00 0.00 H new ATOM 0 HA ALA B 12 133.170 7.204 -0.350 1.00 0.00 H new ATOM 0 HB1 ALA B 12 134.116 5.794 1.438 1.00 0.00 H new ATOM 0 HB2 ALA B 12 135.302 6.959 0.804 1.00 0.00 H new ATOM 0 HB3 ALA B 12 134.511 7.257 2.370 1.00 0.00 H new ATOM 606 N TYR B 13 131.160 6.506 0.769 1.00 0.00 N ATOM 607 CA TYR B 13 129.862 6.193 1.302 1.00 0.00 C ATOM 608 C TYR B 13 129.739 4.752 1.664 1.00 0.00 C ATOM 609 O TYR B 13 130.315 3.868 1.032 1.00 0.00 O ATOM 610 CB TYR B 13 128.775 6.469 0.303 1.00 0.00 C ATOM 611 CG TYR B 13 128.518 7.932 0.156 1.00 0.00 C ATOM 612 CD1 TYR B 13 127.879 8.620 1.156 1.00 0.00 C ATOM 613 CD2 TYR B 13 128.951 8.623 -0.947 1.00 0.00 C ATOM 614 CE1 TYR B 13 127.669 9.969 1.068 1.00 0.00 C ATOM 615 CE2 TYR B 13 128.758 9.987 -1.055 1.00 0.00 C ATOM 616 CZ TYR B 13 128.113 10.658 -0.038 1.00 0.00 C ATOM 617 OH TYR B 13 127.912 12.016 -0.130 1.00 0.00 O ATOM 0 H TYR B 13 131.404 5.993 -0.078 1.00 0.00 H new ATOM 0 HA TYR B 13 129.754 6.822 2.185 1.00 0.00 H new ATOM 0 HB2 TYR B 13 129.054 6.050 -0.664 1.00 0.00 H new ATOM 0 HB3 TYR B 13 127.859 5.968 0.615 1.00 0.00 H new ATOM 0 HD1 TYR B 13 127.535 8.086 2.030 1.00 0.00 H new ATOM 0 HD2 TYR B 13 129.451 8.092 -1.744 1.00 0.00 H new ATOM 0 HE1 TYR B 13 127.157 10.491 1.863 1.00 0.00 H new ATOM 0 HE2 TYR B 13 129.108 10.521 -1.926 1.00 0.00 H new ATOM 0 HH TYR B 13 128.287 12.346 -0.973 1.00 0.00 H new ATOM 627 N VAL B 14 128.903 4.529 2.624 1.00 0.00 N ATOM 628 CA VAL B 14 128.583 3.217 3.047 1.00 0.00 C ATOM 629 C VAL B 14 127.141 2.991 2.707 1.00 0.00 C ATOM 630 O VAL B 14 126.402 3.945 2.458 1.00 0.00 O ATOM 631 CB VAL B 14 128.890 2.996 4.525 1.00 0.00 C ATOM 632 CG1 VAL B 14 128.625 4.227 5.370 1.00 0.00 C ATOM 633 CG2 VAL B 14 128.165 1.791 5.066 1.00 0.00 C ATOM 0 H VAL B 14 128.420 5.265 3.139 1.00 0.00 H new ATOM 0 HA VAL B 14 129.204 2.484 2.533 1.00 0.00 H new ATOM 0 HB VAL B 14 129.960 2.800 4.591 1.00 0.00 H new ATOM 0 HG11 VAL B 14 128.861 4.011 6.412 1.00 0.00 H new ATOM 0 HG12 VAL B 14 129.248 5.050 5.020 1.00 0.00 H new ATOM 0 HG13 VAL B 14 127.575 4.507 5.286 1.00 0.00 H new ATOM 0 HG21 VAL B 14 128.407 1.664 6.121 1.00 0.00 H new ATOM 0 HG22 VAL B 14 127.090 1.933 4.955 1.00 0.00 H new ATOM 0 HG23 VAL B 14 128.473 0.903 4.514 1.00 0.00 H new ATOM 643 N ARG B 15 126.744 1.750 2.628 1.00 0.00 N ATOM 644 CA ARG B 15 125.385 1.469 2.234 1.00 0.00 C ATOM 645 C ARG B 15 124.579 1.081 3.456 1.00 0.00 C ATOM 646 O ARG B 15 124.719 0.000 4.023 1.00 0.00 O ATOM 647 CB ARG B 15 125.379 0.367 1.160 1.00 0.00 C ATOM 648 CG ARG B 15 124.518 0.616 -0.077 1.00 0.00 C ATOM 649 CD ARG B 15 123.240 1.367 0.200 1.00 0.00 C ATOM 650 NE ARG B 15 122.087 0.464 0.222 1.00 0.00 N ATOM 651 CZ ARG B 15 121.510 0.010 1.328 1.00 0.00 C ATOM 652 NH1 ARG B 15 121.835 0.515 2.502 1.00 0.00 N ATOM 653 NH2 ARG B 15 120.582 -0.928 1.261 1.00 0.00 N ATOM 0 H ARG B 15 127.323 0.934 2.825 1.00 0.00 H new ATOM 0 HA ARG B 15 124.923 2.355 1.799 1.00 0.00 H new ATOM 0 HB2 ARG B 15 126.406 0.206 0.832 1.00 0.00 H new ATOM 0 HB3 ARG B 15 125.044 -0.560 1.626 1.00 0.00 H new ATOM 0 HG2 ARG B 15 125.104 1.175 -0.807 1.00 0.00 H new ATOM 0 HG3 ARG B 15 124.271 -0.343 -0.533 1.00 0.00 H new ATOM 0 HD2 ARG B 15 123.319 1.883 1.157 1.00 0.00 H new ATOM 0 HD3 ARG B 15 123.092 2.131 -0.563 1.00 0.00 H new ATOM 0 HE ARG B 15 121.701 0.164 -0.673 1.00 0.00 H new ATOM 0 HH11 ARG B 15 122.532 1.257 2.563 1.00 0.00 H new ATOM 0 HH12 ARG B 15 121.389 0.163 3.349 1.00 0.00 H new ATOM 0 HH21 ARG B 15 120.305 -1.308 0.356 1.00 0.00 H new ATOM 0 HH22 ARG B 15 120.143 -1.273 2.115 1.00 0.00 H new ATOM 667 N LYS B 16 123.713 2.025 3.832 1.00 0.00 N ATOM 668 CA LYS B 16 122.831 1.890 4.976 1.00 0.00 C ATOM 669 C LYS B 16 121.420 2.359 4.649 1.00 0.00 C ATOM 670 O LYS B 16 121.242 3.457 4.126 1.00 0.00 O ATOM 671 CB LYS B 16 123.397 2.704 6.129 1.00 0.00 C ATOM 672 CG LYS B 16 122.390 3.093 7.195 1.00 0.00 C ATOM 673 CD LYS B 16 123.044 3.075 8.571 1.00 0.00 C ATOM 674 CE LYS B 16 122.539 4.196 9.454 1.00 0.00 C ATOM 675 NZ LYS B 16 123.462 5.363 9.466 1.00 0.00 N ATOM 0 H LYS B 16 123.609 2.912 3.340 1.00 0.00 H new ATOM 0 HA LYS B 16 122.771 0.837 5.252 1.00 0.00 H new ATOM 0 HB2 LYS B 16 124.198 2.133 6.598 1.00 0.00 H new ATOM 0 HB3 LYS B 16 123.847 3.612 5.727 1.00 0.00 H new ATOM 0 HG2 LYS B 16 121.994 4.087 6.986 1.00 0.00 H new ATOM 0 HG3 LYS B 16 121.546 2.403 7.177 1.00 0.00 H new ATOM 0 HD2 LYS B 16 122.848 2.117 9.053 1.00 0.00 H new ATOM 0 HD3 LYS B 16 124.125 3.160 8.460 1.00 0.00 H new ATOM 0 HE2 LYS B 16 121.557 4.516 9.106 1.00 0.00 H new ATOM 0 HE3 LYS B 16 122.412 3.825 10.471 1.00 0.00 H new ATOM 0 HZ1 LYS B 16 122.913 6.238 9.585 1.00 0.00 H new ATOM 0 HZ2 LYS B 16 124.134 5.266 10.253 1.00 0.00 H new ATOM 0 HZ3 LYS B 16 123.984 5.402 8.568 1.00 0.00 H new ATOM 689 N ASP B 17 120.417 1.560 4.992 1.00 0.00 N ATOM 690 CA ASP B 17 119.023 1.939 4.784 1.00 0.00 C ATOM 691 C ASP B 17 118.765 2.480 3.379 1.00 0.00 C ATOM 692 O ASP B 17 118.102 3.503 3.208 1.00 0.00 O ATOM 693 CB ASP B 17 118.568 2.953 5.854 1.00 0.00 C ATOM 694 CG ASP B 17 119.667 3.815 6.436 1.00 0.00 C ATOM 695 OD1 ASP B 17 120.251 4.624 5.688 1.00 0.00 O ATOM 696 OD2 ASP B 17 119.917 3.708 7.653 1.00 0.00 O ATOM 0 H ASP B 17 120.543 0.641 5.417 1.00 0.00 H new ATOM 0 HA ASP B 17 118.429 1.031 4.885 1.00 0.00 H new ATOM 0 HB2 ASP B 17 117.812 3.604 5.416 1.00 0.00 H new ATOM 0 HB3 ASP B 17 118.087 2.408 6.666 1.00 0.00 H new ATOM 701 N GLY B 18 119.274 1.774 2.377 1.00 0.00 N ATOM 702 CA GLY B 18 119.082 2.165 0.993 1.00 0.00 C ATOM 703 C GLY B 18 119.683 3.512 0.639 1.00 0.00 C ATOM 704 O GLY B 18 119.326 4.091 -0.388 1.00 0.00 O ATOM 0 H GLY B 18 119.825 0.925 2.502 1.00 0.00 H new ATOM 0 HA2 GLY B 18 119.520 1.403 0.348 1.00 0.00 H new ATOM 0 HA3 GLY B 18 118.014 2.189 0.779 1.00 0.00 H new ATOM 708 N GLU B 19 120.581 4.034 1.473 1.00 0.00 N ATOM 709 CA GLU B 19 121.178 5.331 1.186 1.00 0.00 C ATOM 710 C GLU B 19 122.684 5.308 1.368 1.00 0.00 C ATOM 711 O GLU B 19 123.233 4.429 2.032 1.00 0.00 O ATOM 712 CB GLU B 19 120.574 6.394 2.100 1.00 0.00 C ATOM 713 CG GLU B 19 119.060 6.488 1.999 1.00 0.00 C ATOM 714 CD GLU B 19 118.534 7.865 2.351 1.00 0.00 C ATOM 715 OE1 GLU B 19 118.641 8.776 1.503 1.00 0.00 O ATOM 716 OE2 GLU B 19 118.013 8.033 3.474 1.00 0.00 O ATOM 0 H GLU B 19 120.903 3.589 2.332 1.00 0.00 H new ATOM 0 HA GLU B 19 120.965 5.569 0.144 1.00 0.00 H new ATOM 0 HB2 GLU B 19 120.849 6.174 3.132 1.00 0.00 H new ATOM 0 HB3 GLU B 19 121.008 7.363 1.854 1.00 0.00 H new ATOM 0 HG2 GLU B 19 118.751 6.234 0.985 1.00 0.00 H new ATOM 0 HG3 GLU B 19 118.609 5.751 2.663 1.00 0.00 H new ATOM 723 N TRP B 20 123.344 6.294 0.776 1.00 0.00 N ATOM 724 CA TRP B 20 124.780 6.408 0.870 1.00 0.00 C ATOM 725 C TRP B 20 125.158 7.324 2.010 1.00 0.00 C ATOM 726 O TRP B 20 124.841 8.513 2.010 1.00 0.00 O ATOM 727 CB TRP B 20 125.379 6.882 -0.452 1.00 0.00 C ATOM 728 CG TRP B 20 125.174 5.855 -1.506 1.00 0.00 C ATOM 729 CD1 TRP B 20 124.416 5.936 -2.642 1.00 0.00 C ATOM 730 CD2 TRP B 20 125.719 4.549 -1.475 1.00 0.00 C ATOM 731 NE1 TRP B 20 124.474 4.737 -3.320 1.00 0.00 N ATOM 732 CE2 TRP B 20 125.271 3.879 -2.619 1.00 0.00 C ATOM 733 CE3 TRP B 20 126.556 3.881 -0.581 1.00 0.00 C ATOM 734 CZ2 TRP B 20 125.628 2.575 -2.890 1.00 0.00 C ATOM 735 CZ3 TRP B 20 126.907 2.587 -0.852 1.00 0.00 C ATOM 736 CH2 TRP B 20 126.444 1.944 -2.002 1.00 0.00 C ATOM 0 H TRP B 20 122.898 7.027 0.224 1.00 0.00 H new ATOM 0 HA TRP B 20 125.195 5.422 1.077 1.00 0.00 H new ATOM 0 HB2 TRP B 20 124.915 7.821 -0.754 1.00 0.00 H new ATOM 0 HB3 TRP B 20 126.444 7.078 -0.327 1.00 0.00 H new ATOM 0 HD1 TRP B 20 123.858 6.805 -2.959 1.00 0.00 H new ATOM 0 HE1 TRP B 20 124.000 4.526 -4.199 1.00 0.00 H new ATOM 0 HE3 TRP B 20 126.920 4.376 0.307 1.00 0.00 H new ATOM 0 HZ2 TRP B 20 125.272 2.071 -3.777 1.00 0.00 H new ATOM 0 HZ3 TRP B 20 127.551 2.055 -0.167 1.00 0.00 H new ATOM 0 HH2 TRP B 20 126.740 0.923 -2.191 1.00 0.00 H new ATOM 747 N VAL B 21 125.849 6.754 2.980 1.00 0.00 N ATOM 748 CA VAL B 21 126.294 7.507 4.140 1.00 0.00 C ATOM 749 C VAL B 21 127.786 7.579 4.163 1.00 0.00 C ATOM 750 O VAL B 21 128.484 6.602 3.919 1.00 0.00 O ATOM 751 CB VAL B 21 125.859 6.919 5.492 1.00 0.00 C ATOM 752 CG1 VAL B 21 126.065 7.954 6.587 1.00 0.00 C ATOM 753 CG2 VAL B 21 124.417 6.433 5.514 1.00 0.00 C ATOM 0 H VAL B 21 126.115 5.769 2.988 1.00 0.00 H new ATOM 0 HA VAL B 21 125.825 8.485 4.029 1.00 0.00 H new ATOM 0 HB VAL B 21 126.483 6.042 5.663 1.00 0.00 H new ATOM 0 HG11 VAL B 21 125.756 7.536 7.545 1.00 0.00 H new ATOM 0 HG12 VAL B 21 127.119 8.229 6.634 1.00 0.00 H new ATOM 0 HG13 VAL B 21 125.468 8.839 6.368 1.00 0.00 H new ATOM 0 HG21 VAL B 21 124.183 6.032 6.500 1.00 0.00 H new ATOM 0 HG22 VAL B 21 123.749 7.266 5.293 1.00 0.00 H new ATOM 0 HG23 VAL B 21 124.284 5.653 4.764 1.00 0.00 H new ATOM 763 N LEU B 22 128.261 8.750 4.462 1.00 0.00 N ATOM 764 CA LEU B 22 129.669 8.998 4.530 1.00 0.00 C ATOM 765 C LEU B 22 130.374 8.027 5.462 1.00 0.00 C ATOM 766 O LEU B 22 130.027 7.900 6.635 1.00 0.00 O ATOM 767 CB LEU B 22 129.891 10.436 4.938 1.00 0.00 C ATOM 768 CG LEU B 22 130.376 11.318 3.791 1.00 0.00 C ATOM 769 CD1 LEU B 22 130.963 12.607 4.300 1.00 0.00 C ATOM 770 CD2 LEU B 22 131.399 10.584 2.950 1.00 0.00 C ATOM 0 H LEU B 22 127.681 9.563 4.666 1.00 0.00 H new ATOM 0 HA LEU B 22 130.108 8.834 3.546 1.00 0.00 H new ATOM 0 HB2 LEU B 22 128.960 10.843 5.332 1.00 0.00 H new ATOM 0 HB3 LEU B 22 130.621 10.469 5.747 1.00 0.00 H new ATOM 0 HG LEU B 22 129.511 11.557 3.173 1.00 0.00 H new ATOM 0 HD11 LEU B 22 131.299 13.212 3.457 1.00 0.00 H new ATOM 0 HD12 LEU B 22 130.206 13.155 4.861 1.00 0.00 H new ATOM 0 HD13 LEU B 22 131.810 12.389 4.951 1.00 0.00 H new ATOM 0 HD21 LEU B 22 131.733 11.229 2.137 1.00 0.00 H new ATOM 0 HD22 LEU B 22 132.252 10.312 3.571 1.00 0.00 H new ATOM 0 HD23 LEU B 22 130.949 9.682 2.535 1.00 0.00 H new ATOM 782 N LEU B 23 131.387 7.361 4.923 1.00 0.00 N ATOM 783 CA LEU B 23 132.182 6.412 5.687 1.00 0.00 C ATOM 784 C LEU B 23 132.757 7.108 6.889 1.00 0.00 C ATOM 785 O LEU B 23 132.892 6.527 7.966 1.00 0.00 O ATOM 786 CB LEU B 23 133.312 5.878 4.825 1.00 0.00 C ATOM 787 CG LEU B 23 134.313 4.929 5.518 1.00 0.00 C ATOM 788 CD1 LEU B 23 133.651 4.060 6.574 1.00 0.00 C ATOM 789 CD2 LEU B 23 135.003 4.040 4.504 1.00 0.00 C ATOM 0 H LEU B 23 131.678 7.463 3.951 1.00 0.00 H new ATOM 0 HA LEU B 23 131.551 5.582 6.006 1.00 0.00 H new ATOM 0 HB2 LEU B 23 132.875 5.353 3.976 1.00 0.00 H new ATOM 0 HB3 LEU B 23 133.867 6.726 4.424 1.00 0.00 H new ATOM 0 HG LEU B 23 135.047 5.565 6.013 1.00 0.00 H new ATOM 0 HD11 LEU B 23 134.398 3.411 7.031 1.00 0.00 H new ATOM 0 HD12 LEU B 23 133.204 4.694 7.339 1.00 0.00 H new ATOM 0 HD13 LEU B 23 132.876 3.450 6.110 1.00 0.00 H new ATOM 0 HD21 LEU B 23 135.704 3.380 5.016 1.00 0.00 H new ATOM 0 HD22 LEU B 23 134.259 3.442 3.978 1.00 0.00 H new ATOM 0 HD23 LEU B 23 135.544 4.658 3.787 1.00 0.00 H new ATOM 801 N SER B 24 133.099 8.364 6.701 1.00 0.00 N ATOM 802 CA SER B 24 133.668 9.149 7.772 1.00 0.00 C ATOM 803 C SER B 24 132.657 9.304 8.898 1.00 0.00 C ATOM 804 O SER B 24 133.041 9.566 10.038 1.00 0.00 O ATOM 805 CB SER B 24 134.105 10.524 7.265 1.00 0.00 C ATOM 806 OG SER B 24 133.218 11.007 6.271 1.00 0.00 O ATOM 0 H SER B 24 132.993 8.862 5.817 1.00 0.00 H new ATOM 0 HA SER B 24 134.547 8.628 8.151 1.00 0.00 H new ATOM 0 HB2 SER B 24 134.141 11.227 8.097 1.00 0.00 H new ATOM 0 HB3 SER B 24 135.114 10.461 6.857 1.00 0.00 H new ATOM 0 HG SER B 24 133.730 11.290 5.485 1.00 0.00 H new ATOM 812 N THR B 25 131.365 9.095 8.611 1.00 0.00 N ATOM 813 CA THR B 25 130.373 9.177 9.669 1.00 0.00 C ATOM 814 C THR B 25 130.547 7.977 10.594 1.00 0.00 C ATOM 815 O THR B 25 130.145 8.003 11.758 1.00 0.00 O ATOM 816 CB THR B 25 128.945 9.215 9.113 1.00 0.00 C ATOM 817 OG1 THR B 25 128.704 10.437 8.438 1.00 0.00 O ATOM 818 CG2 THR B 25 127.868 9.056 10.166 1.00 0.00 C ATOM 0 H THR B 25 130.999 8.876 7.684 1.00 0.00 H new ATOM 0 HA THR B 25 130.526 10.106 10.219 1.00 0.00 H new ATOM 0 HB THR B 25 128.886 8.362 8.436 1.00 0.00 H new ATOM 0 HG1 THR B 25 127.788 10.443 8.088 1.00 0.00 H new ATOM 0 HG21 THR B 25 126.887 9.094 9.692 1.00 0.00 H new ATOM 0 HG22 THR B 25 127.991 8.097 10.670 1.00 0.00 H new ATOM 0 HG23 THR B 25 127.950 9.862 10.895 1.00 0.00 H new ATOM 826 N PHE B 26 131.202 6.936 10.065 1.00 0.00 N ATOM 827 CA PHE B 26 131.497 5.738 10.823 1.00 0.00 C ATOM 828 C PHE B 26 132.952 5.797 11.264 1.00 0.00 C ATOM 829 O PHE B 26 133.573 4.802 11.585 1.00 0.00 O ATOM 830 CB PHE B 26 131.202 4.483 9.994 1.00 0.00 C ATOM 831 CG PHE B 26 129.711 4.356 9.690 1.00 0.00 C ATOM 832 CD1 PHE B 26 129.150 4.954 8.565 1.00 0.00 C ATOM 833 CD2 PHE B 26 128.858 3.699 10.571 1.00 0.00 C ATOM 834 CE1 PHE B 26 127.780 4.900 8.331 1.00 0.00 C ATOM 835 CE2 PHE B 26 127.491 3.631 10.333 1.00 0.00 C ATOM 836 CZ PHE B 26 126.948 4.238 9.214 1.00 0.00 C ATOM 0 H PHE B 26 131.537 6.911 9.102 1.00 0.00 H new ATOM 0 HA PHE B 26 130.859 5.684 11.705 1.00 0.00 H new ATOM 0 HB2 PHE B 26 131.764 4.521 9.061 1.00 0.00 H new ATOM 0 HB3 PHE B 26 131.542 3.599 10.535 1.00 0.00 H new ATOM 0 HD1 PHE B 26 129.789 5.468 7.862 1.00 0.00 H new ATOM 0 HD2 PHE B 26 129.266 3.233 11.456 1.00 0.00 H new ATOM 0 HE1 PHE B 26 127.365 5.377 7.456 1.00 0.00 H new ATOM 0 HE2 PHE B 26 126.850 3.103 11.023 1.00 0.00 H new ATOM 0 HZ PHE B 26 125.884 4.195 9.033 1.00 0.00 H new ATOM 846 N LEU B 27 133.495 6.997 11.234 1.00 0.00 N ATOM 847 CA LEU B 27 134.875 7.203 11.615 1.00 0.00 C ATOM 848 C LEU B 27 135.012 8.355 12.605 1.00 0.00 C ATOM 849 O LEU B 27 135.524 8.118 13.719 1.00 0.00 O ATOM 850 CB LEU B 27 135.728 7.454 10.381 1.00 0.00 C ATOM 851 CG LEU B 27 136.767 6.377 10.104 1.00 0.00 C ATOM 852 CD1 LEU B 27 136.161 4.982 10.162 1.00 0.00 C ATOM 853 CD2 LEU B 27 137.436 6.621 8.778 1.00 0.00 C ATOM 854 OXT LEU B 27 134.607 9.484 12.257 1.00 0.00 O ATOM 0 H LEU B 27 133.001 7.843 10.950 1.00 0.00 H new ATOM 0 HA LEU B 27 135.228 6.298 12.110 1.00 0.00 H new ATOM 0 HB2 LEU B 27 135.074 7.542 9.514 1.00 0.00 H new ATOM 0 HB3 LEU B 27 136.237 8.411 10.495 1.00 0.00 H new ATOM 0 HG LEU B 27 137.522 6.432 10.888 1.00 0.00 H new ATOM 0 HD11 LEU B 27 136.934 4.241 9.959 1.00 0.00 H new ATOM 0 HD12 LEU B 27 135.743 4.808 11.153 1.00 0.00 H new ATOM 0 HD13 LEU B 27 135.372 4.897 9.415 1.00 0.00 H new ATOM 0 HD21 LEU B 27 138.176 5.842 8.595 1.00 0.00 H new ATOM 0 HD22 LEU B 27 136.688 6.605 7.985 1.00 0.00 H new ATOM 0 HD23 LEU B 27 137.929 7.593 8.792 1.00 0.00 H new ATOM 867 N GLY C 1 120.402 4.023 -12.753 1.00 0.00 N ATOM 868 CA GLY C 1 121.296 4.900 -11.946 1.00 0.00 C ATOM 869 C GLY C 1 121.924 4.163 -10.780 1.00 0.00 C ATOM 870 O GLY C 1 122.064 4.717 -9.690 1.00 0.00 O ATOM 0 H1 GLY C 1 119.892 4.598 -13.454 1.00 0.00 H new ATOM 0 H2 GLY C 1 120.971 3.304 -13.243 1.00 0.00 H new ATOM 0 H3 GLY C 1 119.718 3.554 -12.126 1.00 0.00 H new ATOM 0 HA2 GLY C 1 122.082 5.301 -12.586 1.00 0.00 H new ATOM 0 HA3 GLY C 1 120.726 5.750 -11.571 1.00 0.00 H new ATOM 876 N TYR C 2 122.293 2.907 -11.011 1.00 0.00 N ATOM 877 CA TYR C 2 122.904 2.078 -9.971 1.00 0.00 C ATOM 878 C TYR C 2 124.421 1.970 -10.152 1.00 0.00 C ATOM 879 O TYR C 2 124.944 2.182 -11.245 1.00 0.00 O ATOM 880 CB TYR C 2 122.296 0.676 -9.970 1.00 0.00 C ATOM 881 CG TYR C 2 120.825 0.594 -9.604 1.00 0.00 C ATOM 882 CD1 TYR C 2 120.028 1.725 -9.472 1.00 0.00 C ATOM 883 CD2 TYR C 2 120.236 -0.644 -9.396 1.00 0.00 C ATOM 884 CE1 TYR C 2 118.688 1.620 -9.142 1.00 0.00 C ATOM 885 CE2 TYR C 2 118.900 -0.759 -9.068 1.00 0.00 C ATOM 886 CZ TYR C 2 118.129 0.376 -8.942 1.00 0.00 C ATOM 887 OH TYR C 2 116.795 0.268 -8.616 1.00 0.00 O ATOM 0 H TYR C 2 122.180 2.438 -11.910 1.00 0.00 H new ATOM 0 HA TYR C 2 122.702 2.564 -9.016 1.00 0.00 H new ATOM 0 HB2 TYR C 2 122.429 0.242 -10.961 1.00 0.00 H new ATOM 0 HB3 TYR C 2 122.860 0.057 -9.272 1.00 0.00 H new ATOM 0 HD1 TYR C 2 120.461 2.702 -9.629 1.00 0.00 H new ATOM 0 HD2 TYR C 2 120.835 -1.537 -9.493 1.00 0.00 H new ATOM 0 HE1 TYR C 2 118.083 2.509 -9.042 1.00 0.00 H new ATOM 0 HE2 TYR C 2 118.461 -1.733 -8.911 1.00 0.00 H new ATOM 0 HH TYR C 2 116.559 -0.677 -8.511 1.00 0.00 H new ATOM 897 N ILE C 3 125.114 1.614 -9.069 1.00 0.00 N ATOM 898 CA ILE C 3 126.571 1.445 -9.095 1.00 0.00 C ATOM 899 C ILE C 3 126.944 0.032 -9.522 1.00 0.00 C ATOM 900 O ILE C 3 126.177 -0.907 -9.311 1.00 0.00 O ATOM 901 CB ILE C 3 127.225 1.658 -7.710 1.00 0.00 C ATOM 902 CG1 ILE C 3 126.389 1.029 -6.610 1.00 0.00 C ATOM 903 CG2 ILE C 3 127.483 3.112 -7.401 1.00 0.00 C ATOM 904 CD1 ILE C 3 126.959 1.241 -5.230 1.00 0.00 C ATOM 0 H ILE C 3 124.689 1.436 -8.159 1.00 0.00 H new ATOM 0 HA ILE C 3 126.932 2.195 -9.798 1.00 0.00 H new ATOM 0 HB ILE C 3 128.194 1.161 -7.751 1.00 0.00 H new ATOM 0 HG12 ILE C 3 125.382 1.444 -6.647 1.00 0.00 H new ATOM 0 HG13 ILE C 3 126.300 -0.041 -6.798 1.00 0.00 H new ATOM 0 HG21 ILE C 3 127.943 3.199 -6.416 1.00 0.00 H new ATOM 0 HG22 ILE C 3 128.153 3.530 -8.152 1.00 0.00 H new ATOM 0 HG23 ILE C 3 126.540 3.659 -7.411 1.00 0.00 H new ATOM 0 HD11 ILE C 3 126.312 0.766 -4.492 1.00 0.00 H new ATOM 0 HD12 ILE C 3 127.955 0.801 -5.176 1.00 0.00 H new ATOM 0 HD13 ILE C 3 127.022 2.309 -5.023 1.00 0.00 H new ATOM 916 N PRO C 4 128.147 -0.154 -10.088 1.00 0.00 N ATOM 917 CA PRO C 4 128.624 -1.463 -10.488 1.00 0.00 C ATOM 918 C PRO C 4 129.235 -2.206 -9.300 1.00 0.00 C ATOM 919 O PRO C 4 129.756 -1.600 -8.372 1.00 0.00 O ATOM 920 CB PRO C 4 129.660 -1.170 -11.579 1.00 0.00 C ATOM 921 CG PRO C 4 129.908 0.315 -11.535 1.00 0.00 C ATOM 922 CD PRO C 4 129.149 0.876 -10.354 1.00 0.00 C ATOM 0 HA PRO C 4 127.828 -2.112 -10.852 1.00 0.00 H new ATOM 0 HB2 PRO C 4 130.581 -1.724 -11.400 1.00 0.00 H new ATOM 0 HB3 PRO C 4 129.291 -1.474 -12.558 1.00 0.00 H new ATOM 0 HG2 PRO C 4 130.974 0.521 -11.437 1.00 0.00 H new ATOM 0 HG3 PRO C 4 129.576 0.785 -12.461 1.00 0.00 H new ATOM 0 HD2 PRO C 4 129.800 1.037 -9.495 1.00 0.00 H new ATOM 0 HD3 PRO C 4 128.689 1.836 -10.589 1.00 0.00 H new ATOM 930 N GLU C 5 129.095 -3.526 -9.332 1.00 0.00 N ATOM 931 CA GLU C 5 129.552 -4.411 -8.264 1.00 0.00 C ATOM 932 C GLU C 5 131.050 -4.298 -7.968 1.00 0.00 C ATOM 933 O GLU C 5 131.874 -4.131 -8.867 1.00 0.00 O ATOM 934 CB GLU C 5 129.192 -5.868 -8.597 1.00 0.00 C ATOM 935 CG GLU C 5 129.873 -6.907 -7.704 1.00 0.00 C ATOM 936 CD GLU C 5 128.895 -7.698 -6.854 1.00 0.00 C ATOM 937 OE1 GLU C 5 128.149 -8.523 -7.421 1.00 0.00 O ATOM 938 OE2 GLU C 5 128.876 -7.490 -5.614 1.00 0.00 O ATOM 0 H GLU C 5 128.656 -4.019 -10.109 1.00 0.00 H new ATOM 0 HA GLU C 5 129.035 -4.090 -7.360 1.00 0.00 H new ATOM 0 HB2 GLU C 5 128.112 -5.990 -8.517 1.00 0.00 H new ATOM 0 HB3 GLU C 5 129.459 -6.067 -9.635 1.00 0.00 H new ATOM 0 HG2 GLU C 5 130.442 -7.596 -8.328 1.00 0.00 H new ATOM 0 HG3 GLU C 5 130.587 -6.404 -7.052 1.00 0.00 H new ATOM 945 N ALA C 6 131.376 -4.418 -6.680 1.00 0.00 N ATOM 946 CA ALA C 6 132.755 -4.367 -6.200 1.00 0.00 C ATOM 947 C ALA C 6 133.437 -5.735 -6.321 1.00 0.00 C ATOM 948 O ALA C 6 132.776 -6.750 -6.545 1.00 0.00 O ATOM 949 CB ALA C 6 132.775 -3.909 -4.750 1.00 0.00 C ATOM 0 H ALA C 6 130.688 -4.554 -5.939 1.00 0.00 H new ATOM 0 HA ALA C 6 133.305 -3.658 -6.818 1.00 0.00 H new ATOM 0 HB1 ALA C 6 133.805 -3.872 -4.394 1.00 0.00 H new ATOM 0 HB2 ALA C 6 132.329 -2.917 -4.676 1.00 0.00 H new ATOM 0 HB3 ALA C 6 132.205 -4.609 -4.139 1.00 0.00 H new ATOM 955 N PRO C 7 134.774 -5.774 -6.161 1.00 0.00 N ATOM 956 CA PRO C 7 135.556 -7.019 -6.240 1.00 0.00 C ATOM 957 C PRO C 7 135.111 -8.057 -5.210 1.00 0.00 C ATOM 958 O PRO C 7 134.621 -7.702 -4.137 1.00 0.00 O ATOM 959 CB PRO C 7 136.992 -6.571 -5.926 1.00 0.00 C ATOM 960 CG PRO C 7 137.013 -5.095 -6.144 1.00 0.00 C ATOM 961 CD PRO C 7 135.620 -4.605 -5.877 1.00 0.00 C ATOM 0 HA PRO C 7 135.439 -7.497 -7.213 1.00 0.00 H new ATOM 0 HB2 PRO C 7 137.264 -6.819 -4.900 1.00 0.00 H new ATOM 0 HB3 PRO C 7 137.709 -7.073 -6.576 1.00 0.00 H new ATOM 0 HG2 PRO C 7 137.728 -4.614 -5.476 1.00 0.00 H new ATOM 0 HG3 PRO C 7 137.319 -4.858 -7.163 1.00 0.00 H new ATOM 0 HD2 PRO C 7 135.505 -4.269 -4.846 1.00 0.00 H new ATOM 0 HD3 PRO C 7 135.364 -3.761 -6.517 1.00 0.00 H new ATOM 969 N ARG C 8 135.291 -9.341 -5.531 1.00 0.00 N ATOM 970 CA ARG C 8 134.913 -10.419 -4.622 1.00 0.00 C ATOM 971 C ARG C 8 136.134 -11.157 -4.090 1.00 0.00 C ATOM 972 O ARG C 8 136.189 -12.387 -4.105 1.00 0.00 O ATOM 973 CB ARG C 8 133.984 -11.405 -5.292 1.00 0.00 C ATOM 974 CG ARG C 8 132.523 -11.019 -5.181 1.00 0.00 C ATOM 975 CD ARG C 8 132.184 -9.861 -6.101 1.00 0.00 C ATOM 976 NE ARG C 8 131.998 -10.298 -7.484 1.00 0.00 N ATOM 977 CZ ARG C 8 132.830 -10.004 -8.484 1.00 0.00 C ATOM 978 NH1 ARG C 8 133.893 -9.235 -8.279 1.00 0.00 N ATOM 979 NH2 ARG C 8 132.592 -10.476 -9.700 1.00 0.00 N ATOM 0 H ARG C 8 135.696 -9.656 -6.413 1.00 0.00 H new ATOM 0 HA ARG C 8 134.392 -9.954 -3.785 1.00 0.00 H new ATOM 0 HB2 ARG C 8 134.252 -11.489 -6.345 1.00 0.00 H new ATOM 0 HB3 ARG C 8 134.128 -12.390 -4.847 1.00 0.00 H new ATOM 0 HG2 ARG C 8 131.899 -11.877 -5.429 1.00 0.00 H new ATOM 0 HG3 ARG C 8 132.295 -10.746 -4.151 1.00 0.00 H new ATOM 0 HD2 ARG C 8 131.275 -9.373 -5.750 1.00 0.00 H new ATOM 0 HD3 ARG C 8 132.981 -9.119 -6.059 1.00 0.00 H new ATOM 0 HE ARG C 8 131.178 -10.865 -7.698 1.00 0.00 H new ATOM 0 HH11 ARG C 8 134.081 -8.862 -7.348 1.00 0.00 H new ATOM 0 HH12 ARG C 8 134.522 -9.017 -9.052 1.00 0.00 H new ATOM 0 HH21 ARG C 8 131.774 -11.062 -9.869 1.00 0.00 H new ATOM 0 HH22 ARG C 8 133.226 -10.253 -10.467 1.00 0.00 H new ATOM 993 N ASP C 9 137.103 -10.403 -3.615 1.00 0.00 N ATOM 994 CA ASP C 9 138.321 -10.983 -3.069 1.00 0.00 C ATOM 995 C ASP C 9 138.330 -10.907 -1.543 1.00 0.00 C ATOM 996 O ASP C 9 139.380 -11.028 -0.913 1.00 0.00 O ATOM 997 CB ASP C 9 139.556 -10.271 -3.613 1.00 0.00 C ATOM 998 CG ASP C 9 139.476 -8.764 -3.481 1.00 0.00 C ATOM 999 OD1 ASP C 9 138.373 -8.246 -3.211 1.00 0.00 O ATOM 1000 OD2 ASP C 9 140.521 -8.101 -3.648 1.00 0.00 O ATOM 0 H ASP C 9 137.074 -9.384 -3.594 1.00 0.00 H new ATOM 0 HA ASP C 9 138.346 -12.029 -3.374 1.00 0.00 H new ATOM 0 HB2 ASP C 9 140.439 -10.630 -3.084 1.00 0.00 H new ATOM 0 HB3 ASP C 9 139.686 -10.532 -4.663 1.00 0.00 H new ATOM 1005 N GLY C 10 137.153 -10.729 -0.958 1.00 0.00 N ATOM 1006 CA GLY C 10 137.044 -10.666 0.491 1.00 0.00 C ATOM 1007 C GLY C 10 137.428 -9.319 1.063 1.00 0.00 C ATOM 1008 O GLY C 10 137.633 -9.196 2.269 1.00 0.00 O ATOM 0 H GLY C 10 136.270 -10.627 -1.459 1.00 0.00 H new ATOM 0 HA2 GLY C 10 136.019 -10.897 0.782 1.00 0.00 H new ATOM 0 HA3 GLY C 10 137.681 -11.434 0.930 1.00 0.00 H new ATOM 1012 N GLN C 11 137.525 -8.304 0.214 1.00 0.00 N ATOM 1013 CA GLN C 11 137.879 -6.975 0.685 1.00 0.00 C ATOM 1014 C GLN C 11 136.641 -6.103 0.689 1.00 0.00 C ATOM 1015 O GLN C 11 135.808 -6.211 -0.211 1.00 0.00 O ATOM 1016 CB GLN C 11 138.956 -6.369 -0.191 1.00 0.00 C ATOM 1017 CG GLN C 11 140.093 -7.332 -0.503 1.00 0.00 C ATOM 1018 CD GLN C 11 141.447 -6.659 -0.636 1.00 0.00 C ATOM 1019 OE1 GLN C 11 142.268 -6.726 0.278 1.00 0.00 O ATOM 1020 NE2 GLN C 11 141.699 -6.007 -1.764 1.00 0.00 N ATOM 0 H GLN C 11 137.366 -8.375 -0.791 1.00 0.00 H new ATOM 0 HA GLN C 11 138.273 -7.045 1.699 1.00 0.00 H new ATOM 0 HB2 GLN C 11 138.507 -6.033 -1.126 1.00 0.00 H new ATOM 0 HB3 GLN C 11 139.362 -5.486 0.303 1.00 0.00 H new ATOM 0 HG2 GLN C 11 140.147 -8.083 0.285 1.00 0.00 H new ATOM 0 HG3 GLN C 11 139.867 -7.858 -1.430 1.00 0.00 H new ATOM 0 HE21 GLN C 11 140.995 -5.972 -2.501 1.00 0.00 H new ATOM 0 HE22 GLN C 11 142.597 -5.541 -1.894 1.00 0.00 H new ATOM 1029 N ALA C 12 136.496 -5.254 1.701 1.00 0.00 N ATOM 1030 CA ALA C 12 135.327 -4.396 1.816 1.00 0.00 C ATOM 1031 C ALA C 12 135.561 -3.069 1.134 1.00 0.00 C ATOM 1032 O ALA C 12 136.622 -2.462 1.266 1.00 0.00 O ATOM 1033 CB ALA C 12 134.944 -4.192 3.276 1.00 0.00 C ATOM 0 H ALA C 12 137.176 -5.143 2.453 1.00 0.00 H new ATOM 0 HA ALA C 12 134.497 -4.892 1.314 1.00 0.00 H new ATOM 0 HB1 ALA C 12 134.067 -3.547 3.335 1.00 0.00 H new ATOM 0 HB2 ALA C 12 134.717 -5.156 3.731 1.00 0.00 H new ATOM 0 HB3 ALA C 12 135.774 -3.727 3.808 1.00 0.00 H new ATOM 1039 N TYR C 13 134.565 -2.638 0.381 1.00 0.00 N ATOM 1040 CA TYR C 13 134.660 -1.400 -0.353 1.00 0.00 C ATOM 1041 C TYR C 13 133.612 -0.401 0.058 1.00 0.00 C ATOM 1042 O TYR C 13 132.517 -0.736 0.510 1.00 0.00 O ATOM 1043 CB TYR C 13 134.550 -1.658 -1.839 1.00 0.00 C ATOM 1044 CG TYR C 13 135.788 -2.326 -2.349 1.00 0.00 C ATOM 1045 CD1 TYR C 13 136.932 -1.593 -2.547 1.00 0.00 C ATOM 1046 CD2 TYR C 13 135.837 -3.683 -2.536 1.00 0.00 C ATOM 1047 CE1 TYR C 13 138.099 -2.192 -2.942 1.00 0.00 C ATOM 1048 CE2 TYR C 13 137.010 -4.312 -2.918 1.00 0.00 C ATOM 1049 CZ TYR C 13 138.141 -3.556 -3.124 1.00 0.00 C ATOM 1050 OH TYR C 13 139.318 -4.163 -3.504 1.00 0.00 O ATOM 0 H TYR C 13 133.680 -3.133 0.265 1.00 0.00 H new ATOM 0 HA TYR C 13 135.635 -0.973 -0.119 1.00 0.00 H new ATOM 0 HB2 TYR C 13 133.682 -2.285 -2.042 1.00 0.00 H new ATOM 0 HB3 TYR C 13 134.394 -0.717 -2.367 1.00 0.00 H new ATOM 0 HD1 TYR C 13 136.911 -0.525 -2.388 1.00 0.00 H new ATOM 0 HD2 TYR C 13 134.945 -4.272 -2.383 1.00 0.00 H new ATOM 0 HE1 TYR C 13 138.984 -1.596 -3.110 1.00 0.00 H new ATOM 0 HE2 TYR C 13 137.037 -5.383 -3.053 1.00 0.00 H new ATOM 0 HH TYR C 13 139.176 -5.129 -3.587 1.00 0.00 H new ATOM 1060 N VAL C 14 133.990 0.828 -0.134 1.00 0.00 N ATOM 1061 CA VAL C 14 133.182 1.979 0.157 1.00 0.00 C ATOM 1062 C VAL C 14 132.869 2.620 -1.163 1.00 0.00 C ATOM 1063 O VAL C 14 133.682 2.571 -2.088 1.00 0.00 O ATOM 1064 CB VAL C 14 133.995 2.926 1.045 1.00 0.00 C ATOM 1065 CG1 VAL C 14 133.158 3.718 2.033 1.00 0.00 C ATOM 1066 CG2 VAL C 14 135.055 2.094 1.767 1.00 0.00 C ATOM 0 H VAL C 14 134.906 1.067 -0.513 1.00 0.00 H new ATOM 0 HA VAL C 14 132.260 1.725 0.681 1.00 0.00 H new ATOM 0 HB VAL C 14 134.453 3.680 0.405 1.00 0.00 H new ATOM 0 HG11 VAL C 14 133.807 4.364 2.624 1.00 0.00 H new ATOM 0 HG12 VAL C 14 132.435 4.328 1.491 1.00 0.00 H new ATOM 0 HG13 VAL C 14 132.630 3.032 2.695 1.00 0.00 H new ATOM 0 HG21 VAL C 14 135.652 2.742 2.409 1.00 0.00 H new ATOM 0 HG22 VAL C 14 134.567 1.331 2.374 1.00 0.00 H new ATOM 0 HG23 VAL C 14 135.703 1.614 1.033 1.00 0.00 H new ATOM 1076 N ARG C 15 131.702 3.189 -1.280 1.00 0.00 N ATOM 1077 CA ARG C 15 131.327 3.789 -2.533 1.00 0.00 C ATOM 1078 C ARG C 15 131.643 5.276 -2.510 1.00 0.00 C ATOM 1079 O ARG C 15 131.093 6.039 -1.718 1.00 0.00 O ATOM 1080 CB ARG C 15 129.856 3.473 -2.864 1.00 0.00 C ATOM 1081 CG ARG C 15 129.549 3.008 -4.302 1.00 0.00 C ATOM 1082 CD ARG C 15 130.716 3.115 -5.273 1.00 0.00 C ATOM 1083 NE ARG C 15 130.318 3.563 -6.613 1.00 0.00 N ATOM 1084 CZ ARG C 15 130.624 2.905 -7.740 1.00 0.00 C ATOM 1085 NH1 ARG C 15 131.306 1.767 -7.688 1.00 0.00 N ATOM 1086 NH2 ARG C 15 130.257 3.374 -8.921 1.00 0.00 N ATOM 0 H ARG C 15 131.004 3.251 -0.539 1.00 0.00 H new ATOM 0 HA ARG C 15 131.915 3.359 -3.344 1.00 0.00 H new ATOM 0 HB2 ARG C 15 129.512 2.700 -2.177 1.00 0.00 H new ATOM 0 HB3 ARG C 15 129.264 4.365 -2.662 1.00 0.00 H new ATOM 0 HG2 ARG C 15 129.216 1.971 -4.270 1.00 0.00 H new ATOM 0 HG3 ARG C 15 128.718 3.597 -4.689 1.00 0.00 H new ATOM 0 HD2 ARG C 15 131.453 3.809 -4.869 1.00 0.00 H new ATOM 0 HD3 ARG C 15 131.204 2.143 -5.352 1.00 0.00 H new ATOM 0 HE ARG C 15 129.778 4.425 -6.691 1.00 0.00 H new ATOM 0 HH11 ARG C 15 131.600 1.389 -6.787 1.00 0.00 H new ATOM 0 HH12 ARG C 15 131.536 1.271 -8.549 1.00 0.00 H new ATOM 0 HH21 ARG C 15 129.734 4.247 -8.983 1.00 0.00 H new ATOM 0 HH22 ARG C 15 130.497 2.862 -9.770 1.00 0.00 H new ATOM 1100 N LYS C 16 132.573 5.661 -3.384 1.00 0.00 N ATOM 1101 CA LYS C 16 133.032 7.040 -3.483 1.00 0.00 C ATOM 1102 C LYS C 16 133.491 7.360 -4.893 1.00 0.00 C ATOM 1103 O LYS C 16 134.373 6.689 -5.431 1.00 0.00 O ATOM 1104 CB LYS C 16 134.198 7.268 -2.518 1.00 0.00 C ATOM 1105 CG LYS C 16 135.282 8.215 -3.033 1.00 0.00 C ATOM 1106 CD LYS C 16 136.573 8.055 -2.253 1.00 0.00 C ATOM 1107 CE LYS C 16 137.557 9.167 -2.564 1.00 0.00 C ATOM 1108 NZ LYS C 16 138.917 8.634 -2.857 1.00 0.00 N ATOM 0 H LYS C 16 133.026 5.025 -4.040 1.00 0.00 H new ATOM 0 HA LYS C 16 132.198 7.693 -3.226 1.00 0.00 H new ATOM 0 HB2 LYS C 16 133.804 7.664 -1.582 1.00 0.00 H new ATOM 0 HB3 LYS C 16 134.655 6.305 -2.289 1.00 0.00 H new ATOM 0 HG2 LYS C 16 135.467 8.019 -4.089 1.00 0.00 H new ATOM 0 HG3 LYS C 16 134.934 9.245 -2.956 1.00 0.00 H new ATOM 0 HD2 LYS C 16 136.355 8.050 -1.185 1.00 0.00 H new ATOM 0 HD3 LYS C 16 137.025 7.092 -2.491 1.00 0.00 H new ATOM 0 HE2 LYS C 16 137.199 9.741 -3.419 1.00 0.00 H new ATOM 0 HE3 LYS C 16 137.609 9.853 -1.719 1.00 0.00 H new ATOM 0 HZ1 LYS C 16 139.562 9.423 -3.065 1.00 0.00 H new ATOM 0 HZ2 LYS C 16 139.269 8.108 -2.032 1.00 0.00 H new ATOM 0 HZ3 LYS C 16 138.871 7.999 -3.679 1.00 0.00 H new ATOM 1122 N ASP C 17 132.932 8.404 -5.478 1.00 0.00 N ATOM 1123 CA ASP C 17 133.338 8.822 -6.805 1.00 0.00 C ATOM 1124 C ASP C 17 133.141 7.709 -7.824 1.00 0.00 C ATOM 1125 O ASP C 17 134.001 7.466 -8.672 1.00 0.00 O ATOM 1126 CB ASP C 17 134.800 9.265 -6.783 1.00 0.00 C ATOM 1127 CG ASP C 17 134.962 10.745 -7.066 1.00 0.00 C ATOM 1128 OD1 ASP C 17 134.116 11.534 -6.597 1.00 0.00 O ATOM 1129 OD2 ASP C 17 135.935 11.114 -7.757 1.00 0.00 O ATOM 0 H ASP C 17 132.199 8.975 -5.057 1.00 0.00 H new ATOM 0 HA ASP C 17 132.709 9.661 -7.104 1.00 0.00 H new ATOM 0 HB2 ASP C 17 135.231 9.035 -5.809 1.00 0.00 H new ATOM 0 HB3 ASP C 17 135.361 8.693 -7.523 1.00 0.00 H new ATOM 1134 N GLY C 18 131.997 7.048 -7.755 1.00 0.00 N ATOM 1135 CA GLY C 18 131.690 5.986 -8.686 1.00 0.00 C ATOM 1136 C GLY C 18 132.651 4.813 -8.623 1.00 0.00 C ATOM 1137 O GLY C 18 132.693 4.007 -9.553 1.00 0.00 O ATOM 0 H GLY C 18 131.270 7.231 -7.064 1.00 0.00 H new ATOM 0 HA2 GLY C 18 130.680 5.626 -8.490 1.00 0.00 H new ATOM 0 HA3 GLY C 18 131.693 6.391 -9.698 1.00 0.00 H new ATOM 1141 N GLU C 19 133.436 4.703 -7.551 1.00 0.00 N ATOM 1142 CA GLU C 19 134.380 3.606 -7.447 1.00 0.00 C ATOM 1143 C GLU C 19 134.330 2.953 -6.083 1.00 0.00 C ATOM 1144 O GLU C 19 133.830 3.529 -5.115 1.00 0.00 O ATOM 1145 CB GLU C 19 135.790 4.113 -7.706 1.00 0.00 C ATOM 1146 CG GLU C 19 136.073 4.420 -9.167 1.00 0.00 C ATOM 1147 CD GLU C 19 137.533 4.739 -9.423 1.00 0.00 C ATOM 1148 OE1 GLU C 19 138.387 3.868 -9.156 1.00 0.00 O ATOM 1149 OE2 GLU C 19 137.822 5.860 -9.892 1.00 0.00 O ATOM 0 H GLU C 19 133.434 5.348 -6.761 1.00 0.00 H new ATOM 0 HA GLU C 19 134.104 2.861 -8.194 1.00 0.00 H new ATOM 0 HB2 GLU C 19 135.956 5.015 -7.116 1.00 0.00 H new ATOM 0 HB3 GLU C 19 136.504 3.367 -7.356 1.00 0.00 H new ATOM 0 HG2 GLU C 19 135.779 3.566 -9.778 1.00 0.00 H new ATOM 0 HG3 GLU C 19 135.460 5.264 -9.483 1.00 0.00 H new ATOM 1156 N TRP C 20 134.863 1.745 -6.018 1.00 0.00 N ATOM 1157 CA TRP C 20 134.899 0.999 -4.783 1.00 0.00 C ATOM 1158 C TRP C 20 136.251 1.152 -4.109 1.00 0.00 C ATOM 1159 O TRP C 20 137.273 0.706 -4.631 1.00 0.00 O ATOM 1160 CB TRP C 20 134.577 -0.478 -5.022 1.00 0.00 C ATOM 1161 CG TRP C 20 133.160 -0.639 -5.427 1.00 0.00 C ATOM 1162 CD1 TRP C 20 132.660 -1.029 -6.637 1.00 0.00 C ATOM 1163 CD2 TRP C 20 132.046 -0.369 -4.595 1.00 0.00 C ATOM 1164 NE1 TRP C 20 131.285 -1.012 -6.591 1.00 0.00 N ATOM 1165 CE2 TRP C 20 130.895 -0.615 -5.347 1.00 0.00 C ATOM 1166 CE3 TRP C 20 131.916 0.055 -3.274 1.00 0.00 C ATOM 1167 CZ2 TRP C 20 129.631 -0.447 -4.826 1.00 0.00 C ATOM 1168 CZ3 TRP C 20 130.657 0.220 -2.758 1.00 0.00 C ATOM 1169 CH2 TRP C 20 129.528 -0.033 -3.533 1.00 0.00 C ATOM 0 H TRP C 20 135.278 1.262 -6.815 1.00 0.00 H new ATOM 0 HA TRP C 20 134.135 1.404 -4.120 1.00 0.00 H new ATOM 0 HB2 TRP C 20 135.231 -0.879 -5.797 1.00 0.00 H new ATOM 0 HB3 TRP C 20 134.770 -1.050 -4.115 1.00 0.00 H new ATOM 0 HD1 TRP C 20 133.252 -1.307 -7.496 1.00 0.00 H new ATOM 0 HE1 TRP C 20 130.661 -1.256 -7.360 1.00 0.00 H new ATOM 0 HE3 TRP C 20 132.789 0.250 -2.669 1.00 0.00 H new ATOM 0 HZ2 TRP C 20 128.751 -0.637 -5.423 1.00 0.00 H new ATOM 0 HZ3 TRP C 20 130.539 0.551 -1.737 1.00 0.00 H new ATOM 0 HH2 TRP C 20 128.549 0.102 -3.099 1.00 0.00 H new ATOM 1180 N VAL C 21 136.248 1.775 -2.942 1.00 0.00 N ATOM 1181 CA VAL C 21 137.478 1.974 -2.188 1.00 0.00 C ATOM 1182 C VAL C 21 137.478 1.120 -0.961 1.00 0.00 C ATOM 1183 O VAL C 21 136.483 1.004 -0.262 1.00 0.00 O ATOM 1184 CB VAL C 21 137.692 3.416 -1.709 1.00 0.00 C ATOM 1185 CG1 VAL C 21 139.127 3.604 -1.241 1.00 0.00 C ATOM 1186 CG2 VAL C 21 137.340 4.455 -2.758 1.00 0.00 C ATOM 0 H VAL C 21 135.411 2.151 -2.496 1.00 0.00 H new ATOM 0 HA VAL C 21 138.275 1.712 -2.884 1.00 0.00 H new ATOM 0 HB VAL C 21 137.007 3.574 -0.876 1.00 0.00 H new ATOM 0 HG11 VAL C 21 139.268 4.631 -0.903 1.00 0.00 H new ATOM 0 HG12 VAL C 21 139.334 2.920 -0.418 1.00 0.00 H new ATOM 0 HG13 VAL C 21 139.809 3.397 -2.066 1.00 0.00 H new ATOM 0 HG21 VAL C 21 137.514 5.453 -2.355 1.00 0.00 H new ATOM 0 HG22 VAL C 21 137.962 4.307 -3.640 1.00 0.00 H new ATOM 0 HG23 VAL C 21 136.290 4.353 -3.033 1.00 0.00 H new ATOM 1196 N LEU C 22 138.611 0.533 -0.710 1.00 0.00 N ATOM 1197 CA LEU C 22 138.781 -0.315 0.435 1.00 0.00 C ATOM 1198 C LEU C 22 138.450 0.412 1.724 1.00 0.00 C ATOM 1199 O LEU C 22 138.983 1.483 2.014 1.00 0.00 O ATOM 1200 CB LEU C 22 140.204 -0.841 0.471 1.00 0.00 C ATOM 1201 CG LEU C 22 140.340 -2.348 0.247 1.00 0.00 C ATOM 1202 CD1 LEU C 22 141.703 -2.841 0.704 1.00 0.00 C ATOM 1203 CD2 LEU C 22 139.224 -3.101 0.959 1.00 0.00 C ATOM 0 H LEU C 22 139.443 0.628 -1.292 1.00 0.00 H new ATOM 0 HA LEU C 22 138.087 -1.151 0.347 1.00 0.00 H new ATOM 0 HB2 LEU C 22 140.787 -0.321 -0.289 1.00 0.00 H new ATOM 0 HB3 LEU C 22 140.644 -0.591 1.436 1.00 0.00 H new ATOM 0 HG LEU C 22 140.252 -2.542 -0.822 1.00 0.00 H new ATOM 0 HD11 LEU C 22 141.777 -3.915 0.535 1.00 0.00 H new ATOM 0 HD12 LEU C 22 142.483 -2.330 0.139 1.00 0.00 H new ATOM 0 HD13 LEU C 22 141.828 -2.631 1.766 1.00 0.00 H new ATOM 0 HD21 LEU C 22 139.340 -4.171 0.787 1.00 0.00 H new ATOM 0 HD22 LEU C 22 139.273 -2.898 2.029 1.00 0.00 H new ATOM 0 HD23 LEU C 22 138.259 -2.773 0.572 1.00 0.00 H new ATOM 1215 N LEU C 23 137.578 -0.204 2.498 1.00 0.00 N ATOM 1216 CA LEU C 23 137.160 0.329 3.779 1.00 0.00 C ATOM 1217 C LEU C 23 138.351 0.505 4.717 1.00 0.00 C ATOM 1218 O LEU C 23 138.385 1.442 5.514 1.00 0.00 O ATOM 1219 CB LEU C 23 136.130 -0.608 4.404 1.00 0.00 C ATOM 1220 CG LEU C 23 135.780 -0.359 5.881 1.00 0.00 C ATOM 1221 CD1 LEU C 23 135.545 1.109 6.171 1.00 0.00 C ATOM 1222 CD2 LEU C 23 134.545 -1.143 6.271 1.00 0.00 C ATOM 0 H LEU C 23 137.138 -1.092 2.255 1.00 0.00 H new ATOM 0 HA LEU C 23 136.714 1.311 3.620 1.00 0.00 H new ATOM 0 HB2 LEU C 23 135.212 -0.543 3.820 1.00 0.00 H new ATOM 0 HB3 LEU C 23 136.497 -1.630 4.308 1.00 0.00 H new ATOM 0 HG LEU C 23 136.635 -0.692 6.469 1.00 0.00 H new ATOM 0 HD11 LEU C 23 135.301 1.237 7.226 1.00 0.00 H new ATOM 0 HD12 LEU C 23 136.446 1.675 5.936 1.00 0.00 H new ATOM 0 HD13 LEU C 23 134.718 1.473 5.561 1.00 0.00 H new ATOM 0 HD21 LEU C 23 134.311 -0.956 7.319 1.00 0.00 H new ATOM 0 HD22 LEU C 23 133.705 -0.831 5.650 1.00 0.00 H new ATOM 0 HD23 LEU C 23 134.729 -2.207 6.125 1.00 0.00 H new ATOM 1234 N SER C 24 139.326 -0.402 4.647 1.00 0.00 N ATOM 1235 CA SER C 24 140.487 -0.329 5.522 1.00 0.00 C ATOM 1236 C SER C 24 141.295 0.929 5.250 1.00 0.00 C ATOM 1237 O SER C 24 142.045 1.385 6.114 1.00 0.00 O ATOM 1238 CB SER C 24 141.371 -1.563 5.334 1.00 0.00 C ATOM 1239 OG SER C 24 141.834 -1.661 3.999 1.00 0.00 O ATOM 0 H SER C 24 139.332 -1.188 3.997 1.00 0.00 H new ATOM 0 HA SER C 24 140.131 -0.296 6.552 1.00 0.00 H new ATOM 0 HB2 SER C 24 142.221 -1.512 6.014 1.00 0.00 H new ATOM 0 HB3 SER C 24 140.809 -2.460 5.594 1.00 0.00 H new ATOM 0 HG SER C 24 142.398 -2.457 3.906 1.00 0.00 H new ATOM 1245 N THR C 25 141.112 1.525 4.076 1.00 0.00 N ATOM 1246 CA THR C 25 141.814 2.761 3.783 1.00 0.00 C ATOM 1247 C THR C 25 141.267 3.856 4.697 1.00 0.00 C ATOM 1248 O THR C 25 141.901 4.889 4.911 1.00 0.00 O ATOM 1249 CB THR C 25 141.659 3.161 2.312 1.00 0.00 C ATOM 1250 OG1 THR C 25 142.245 2.190 1.462 1.00 0.00 O ATOM 1251 CG2 THR C 25 142.279 4.497 1.964 1.00 0.00 C ATOM 0 H THR C 25 140.502 1.182 3.334 1.00 0.00 H new ATOM 0 HA THR C 25 142.879 2.618 3.964 1.00 0.00 H new ATOM 0 HB THR C 25 140.582 3.235 2.160 1.00 0.00 H new ATOM 0 HG1 THR C 25 142.134 2.463 0.528 1.00 0.00 H new ATOM 0 HG21 THR C 25 142.125 4.705 0.905 1.00 0.00 H new ATOM 0 HG22 THR C 25 141.811 5.281 2.559 1.00 0.00 H new ATOM 0 HG23 THR C 25 143.348 4.469 2.177 1.00 0.00 H new ATOM 1259 N PHE C 26 140.078 3.591 5.247 1.00 0.00 N ATOM 1260 CA PHE C 26 139.410 4.502 6.159 1.00 0.00 C ATOM 1261 C PHE C 26 139.578 4.033 7.595 1.00 0.00 C ATOM 1262 O PHE C 26 138.937 4.543 8.504 1.00 0.00 O ATOM 1263 CB PHE C 26 137.930 4.581 5.810 1.00 0.00 C ATOM 1264 CG PHE C 26 137.695 5.168 4.440 1.00 0.00 C ATOM 1265 CD1 PHE C 26 137.832 4.384 3.302 1.00 0.00 C ATOM 1266 CD2 PHE C 26 137.351 6.503 4.288 1.00 0.00 C ATOM 1267 CE1 PHE C 26 137.631 4.920 2.041 1.00 0.00 C ATOM 1268 CE2 PHE C 26 137.147 7.044 3.030 1.00 0.00 C ATOM 1269 CZ PHE C 26 137.288 6.253 1.905 1.00 0.00 C ATOM 0 H PHE C 26 139.556 2.733 5.066 1.00 0.00 H new ATOM 0 HA PHE C 26 139.859 5.491 6.061 1.00 0.00 H new ATOM 0 HB2 PHE C 26 137.495 3.583 5.855 1.00 0.00 H new ATOM 0 HB3 PHE C 26 137.415 5.187 6.556 1.00 0.00 H new ATOM 0 HD1 PHE C 26 138.099 3.342 3.402 1.00 0.00 H new ATOM 0 HD2 PHE C 26 137.241 7.128 5.162 1.00 0.00 H new ATOM 0 HE1 PHE C 26 137.742 4.298 1.165 1.00 0.00 H new ATOM 0 HE2 PHE C 26 136.877 8.085 2.927 1.00 0.00 H new ATOM 0 HZ PHE C 26 137.131 6.675 0.923 1.00 0.00 H new ATOM 1279 N LEU C 27 140.426 3.038 7.800 1.00 0.00 N ATOM 1280 CA LEU C 27 140.639 2.511 9.131 1.00 0.00 C ATOM 1281 C LEU C 27 142.112 2.565 9.524 1.00 0.00 C ATOM 1282 O LEU C 27 142.497 1.848 10.472 1.00 0.00 O ATOM 1283 CB LEU C 27 140.114 1.081 9.217 1.00 0.00 C ATOM 1284 CG LEU C 27 138.909 0.903 10.135 1.00 0.00 C ATOM 1285 CD1 LEU C 27 137.834 1.946 9.872 1.00 0.00 C ATOM 1286 CD2 LEU C 27 138.348 -0.497 10.026 1.00 0.00 C ATOM 1287 OXT LEU C 27 142.868 3.322 8.881 1.00 0.00 O ATOM 0 H LEU C 27 140.972 2.585 7.067 1.00 0.00 H new ATOM 0 HA LEU C 27 140.088 3.135 9.834 1.00 0.00 H new ATOM 0 HB2 LEU C 27 139.844 0.746 8.216 1.00 0.00 H new ATOM 0 HB3 LEU C 27 140.918 0.433 9.564 1.00 0.00 H new ATOM 0 HG LEU C 27 139.257 1.052 11.157 1.00 0.00 H new ATOM 0 HD11 LEU C 27 136.995 1.782 10.548 1.00 0.00 H new ATOM 0 HD12 LEU C 27 138.245 2.942 10.039 1.00 0.00 H new ATOM 0 HD13 LEU C 27 137.491 1.863 8.841 1.00 0.00 H new ATOM 0 HD21 LEU C 27 137.490 -0.598 10.690 1.00 0.00 H new ATOM 0 HD22 LEU C 27 138.036 -0.685 8.999 1.00 0.00 H new ATOM 0 HD23 LEU C 27 139.114 -1.219 10.310 1.00 0.00 H new