USER MOD reduce.3.24.130724 H: found=0, std=0, add=471, rem=0, adj=8 USER MOD reduce.3.24.130724 removed 471 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: A 42 SER OG : rot 32:sc= 1.24 USER MOD Set 1.2: A 44 GLN : amide:sc= 0 K(o=1.2,f=0.73) USER MOD Set 2.1: A 1 SER N :NH3+ 147:sc= 0.021 (180deg=0) USER MOD Set 2.2: A 2 ASN : amide:sc= 0.892 K(o=0.91,f=-4.7!) USER MOD Single : A 1 SER OG : rot 180:sc= 0 USER MOD Single : A 4 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 9 GLN : amide:sc= 0.525 K(o=0.53,f=-0.27) USER MOD Single : A 15 LYS NZ :NH3+ -148:sc= 1.96 (180deg=0.394) USER MOD Single : A 19 SER OG : rot 114:sc= 1.29 USER MOD Single : A 33 LYS NZ :NH3+ 159:sc= -0.217 (180deg=-0.78) USER MOD Single : A 34 SER OG : rot 180:sc= 0 USER MOD Single : A 41 GLN : amide:sc= 0.905 K(o=0.91,f=-5.1!) USER MOD Single : A 49 THR OG1 : rot 170:sc= -0.119 USER MOD Single : A 53 ASN : amide:sc= -0.624 K(o=-0.62,f=0) USER MOD Single : A 54 GLN : amide:sc= 1.95 K(o=2,f=-6!) USER MOD ----------------------------------------------------------------- ATOM 1 N SER A 1 -11.243 2.158 -17.113 1.00 0.00 N ATOM 2 CA SER A 1 -12.651 2.510 -17.123 1.00 0.00 C ATOM 3 C SER A 1 -13.091 2.405 -15.702 1.00 0.00 C ATOM 4 O SER A 1 -12.927 1.353 -15.096 1.00 0.00 O ATOM 5 CB SER A 1 -13.442 1.536 -18.025 1.00 0.00 C ATOM 6 OG SER A 1 -14.783 1.957 -18.181 1.00 0.00 O ATOM 0 H1 SER A 1 -10.999 1.675 -18.001 1.00 0.00 H new ATOM 0 H2 SER A 1 -10.670 3.021 -17.019 1.00 0.00 H new ATOM 0 H3 SER A 1 -11.049 1.525 -16.311 1.00 0.00 H new ATOM 0 HA SER A 1 -12.824 3.510 -17.522 1.00 0.00 H new ATOM 0 HB2 SER A 1 -12.963 1.471 -19.002 1.00 0.00 H new ATOM 0 HB3 SER A 1 -13.420 0.536 -17.592 1.00 0.00 H new ATOM 0 HG SER A 1 -15.260 1.324 -18.757 1.00 0.00 H new ATOM 14 N ASN A 2 -13.583 3.480 -15.158 1.00 0.00 N ATOM 15 CA ASN A 2 -13.878 3.530 -13.751 1.00 0.00 C ATOM 16 C ASN A 2 -15.332 3.802 -13.566 1.00 0.00 C ATOM 17 O ASN A 2 -15.821 4.852 -13.947 1.00 0.00 O ATOM 18 CB ASN A 2 -13.032 4.622 -13.038 1.00 0.00 C ATOM 19 CG ASN A 2 -11.503 4.430 -13.140 1.00 0.00 C ATOM 20 OD1 ASN A 2 -10.968 3.879 -14.139 1.00 0.00 O ATOM 21 ND2 ASN A 2 -10.793 4.891 -12.147 1.00 0.00 N ATOM 0 H ASN A 2 -13.790 4.339 -15.668 1.00 0.00 H new ATOM 0 HA ASN A 2 -13.623 2.569 -13.304 1.00 0.00 H new ATOM 0 HB2 ASN A 2 -13.290 5.594 -13.459 1.00 0.00 H new ATOM 0 HB3 ASN A 2 -13.311 4.647 -11.985 1.00 0.00 H new ATOM 0 HD21 ASN A 2 -9.776 4.810 -12.166 1.00 0.00 H new ATOM 0 HD22 ASN A 2 -11.255 5.332 -11.352 1.00 0.00 H new ATOM 28 N ALA A 3 -16.033 2.826 -13.053 1.00 0.00 N ATOM 29 CA ALA A 3 -17.445 2.978 -12.771 1.00 0.00 C ATOM 30 C ALA A 3 -17.633 3.173 -11.277 1.00 0.00 C ATOM 31 O ALA A 3 -18.733 3.389 -10.791 1.00 0.00 O ATOM 32 CB ALA A 3 -18.225 1.766 -13.263 1.00 0.00 C ATOM 0 H ALA A 3 -15.651 1.910 -12.819 1.00 0.00 H new ATOM 0 HA ALA A 3 -17.829 3.851 -13.298 1.00 0.00 H new ATOM 0 HB1 ALA A 3 -19.284 1.900 -13.041 1.00 0.00 H new ATOM 0 HB2 ALA A 3 -18.090 1.659 -14.339 1.00 0.00 H new ATOM 0 HB3 ALA A 3 -17.860 0.870 -12.761 1.00 0.00 H new ATOM 38 N MET A 4 -16.528 3.087 -10.576 1.00 0.00 N ATOM 39 CA MET A 4 -16.447 3.223 -9.152 1.00 0.00 C ATOM 40 C MET A 4 -14.989 3.391 -8.819 1.00 0.00 C ATOM 41 O MET A 4 -14.135 2.831 -9.516 1.00 0.00 O ATOM 42 CB MET A 4 -17.027 1.974 -8.441 1.00 0.00 C ATOM 43 CG MET A 4 -16.866 1.964 -6.917 1.00 0.00 C ATOM 44 SD MET A 4 -17.595 3.405 -6.108 1.00 0.00 S ATOM 45 CE MET A 4 -17.177 3.053 -4.392 1.00 0.00 C ATOM 0 H MET A 4 -15.621 2.912 -11.009 1.00 0.00 H new ATOM 0 HA MET A 4 -17.030 4.079 -8.812 1.00 0.00 H new ATOM 0 HB2 MET A 4 -18.088 1.898 -8.680 1.00 0.00 H new ATOM 0 HB3 MET A 4 -16.544 1.086 -8.848 1.00 0.00 H new ATOM 0 HG2 MET A 4 -17.326 1.061 -6.517 1.00 0.00 H new ATOM 0 HG3 MET A 4 -15.805 1.917 -6.672 1.00 0.00 H new ATOM 0 HE1 MET A 4 -17.557 3.851 -3.754 1.00 0.00 H new ATOM 0 HE2 MET A 4 -17.627 2.106 -4.095 1.00 0.00 H new ATOM 0 HE3 MET A 4 -16.094 2.989 -4.287 1.00 0.00 H new ATOM 55 N GLU A 5 -14.708 4.177 -7.823 1.00 0.00 N ATOM 56 CA GLU A 5 -13.366 4.407 -7.382 1.00 0.00 C ATOM 57 C GLU A 5 -13.042 3.503 -6.219 1.00 0.00 C ATOM 58 O GLU A 5 -13.879 2.733 -5.766 1.00 0.00 O ATOM 59 CB GLU A 5 -13.180 5.870 -6.973 1.00 0.00 C ATOM 60 CG GLU A 5 -13.061 6.829 -8.136 1.00 0.00 C ATOM 61 CD GLU A 5 -11.820 6.556 -8.948 1.00 0.00 C ATOM 62 OE1 GLU A 5 -10.707 6.776 -8.424 1.00 0.00 O ATOM 63 OE2 GLU A 5 -11.929 6.152 -10.102 1.00 0.00 O ATOM 0 H GLU A 5 -15.414 4.683 -7.288 1.00 0.00 H new ATOM 0 HA GLU A 5 -12.687 4.186 -8.206 1.00 0.00 H new ATOM 0 HB2 GLU A 5 -14.024 6.172 -6.353 1.00 0.00 H new ATOM 0 HB3 GLU A 5 -12.285 5.952 -6.356 1.00 0.00 H new ATOM 0 HG2 GLU A 5 -13.941 6.742 -8.773 1.00 0.00 H new ATOM 0 HG3 GLU A 5 -13.037 7.853 -7.764 1.00 0.00 H new ATOM 70 N LEU A 6 -11.842 3.605 -5.753 1.00 0.00 N ATOM 71 CA LEU A 6 -11.398 2.865 -4.623 1.00 0.00 C ATOM 72 C LEU A 6 -11.595 3.722 -3.415 1.00 0.00 C ATOM 73 O LEU A 6 -10.832 4.652 -3.157 1.00 0.00 O ATOM 74 CB LEU A 6 -9.929 2.405 -4.762 1.00 0.00 C ATOM 75 CG LEU A 6 -9.592 1.380 -5.879 1.00 0.00 C ATOM 76 CD1 LEU A 6 -9.681 1.989 -7.276 1.00 0.00 C ATOM 77 CD2 LEU A 6 -8.219 0.776 -5.651 1.00 0.00 C ATOM 0 H LEU A 6 -11.131 4.216 -6.155 1.00 0.00 H new ATOM 0 HA LEU A 6 -11.981 1.948 -4.535 1.00 0.00 H new ATOM 0 HB2 LEU A 6 -9.315 3.291 -4.924 1.00 0.00 H new ATOM 0 HB3 LEU A 6 -9.622 1.974 -3.809 1.00 0.00 H new ATOM 0 HG LEU A 6 -10.343 0.592 -5.825 1.00 0.00 H new ATOM 0 HD11 LEU A 6 -9.436 1.231 -8.020 1.00 0.00 H new ATOM 0 HD12 LEU A 6 -10.693 2.354 -7.450 1.00 0.00 H new ATOM 0 HD13 LEU A 6 -8.977 2.817 -7.357 1.00 0.00 H new ATOM 0 HD21 LEU A 6 -8.000 0.060 -6.443 1.00 0.00 H new ATOM 0 HD22 LEU A 6 -7.468 1.566 -5.658 1.00 0.00 H new ATOM 0 HD23 LEU A 6 -8.201 0.267 -4.687 1.00 0.00 H new ATOM 89 N ASP A 7 -12.644 3.420 -2.703 1.00 0.00 N ATOM 90 CA ASP A 7 -13.101 4.144 -1.508 1.00 0.00 C ATOM 91 C ASP A 7 -12.280 3.809 -0.273 1.00 0.00 C ATOM 92 O ASP A 7 -12.671 4.098 0.858 1.00 0.00 O ATOM 93 CB ASP A 7 -14.581 3.861 -1.269 1.00 0.00 C ATOM 94 CG ASP A 7 -14.859 2.379 -1.102 1.00 0.00 C ATOM 95 OD1 ASP A 7 -14.731 1.643 -2.117 1.00 0.00 O ATOM 96 OD2 ASP A 7 -15.200 1.951 0.009 1.00 0.00 O ATOM 0 H ASP A 7 -13.244 2.629 -2.935 1.00 0.00 H new ATOM 0 HA ASP A 7 -12.960 5.209 -1.693 1.00 0.00 H new ATOM 0 HB2 ASP A 7 -14.912 4.394 -0.378 1.00 0.00 H new ATOM 0 HB3 ASP A 7 -15.163 4.247 -2.106 1.00 0.00 H new ATOM 101 N LEU A 8 -11.118 3.308 -0.523 1.00 0.00 N ATOM 102 CA LEU A 8 -10.146 2.975 0.490 1.00 0.00 C ATOM 103 C LEU A 8 -9.774 4.256 1.218 1.00 0.00 C ATOM 104 O LEU A 8 -9.323 5.221 0.602 1.00 0.00 O ATOM 105 CB LEU A 8 -8.924 2.369 -0.179 1.00 0.00 C ATOM 106 CG LEU A 8 -9.106 1.004 -0.858 1.00 0.00 C ATOM 107 CD1 LEU A 8 -7.818 0.580 -1.544 1.00 0.00 C ATOM 108 CD2 LEU A 8 -9.536 -0.052 0.153 1.00 0.00 C ATOM 0 H LEU A 8 -10.797 3.108 -1.470 1.00 0.00 H new ATOM 0 HA LEU A 8 -10.548 2.252 1.200 1.00 0.00 H new ATOM 0 HB2 LEU A 8 -8.563 3.074 -0.928 1.00 0.00 H new ATOM 0 HB3 LEU A 8 -8.140 2.272 0.572 1.00 0.00 H new ATOM 0 HG LEU A 8 -9.891 1.099 -1.609 1.00 0.00 H new ATOM 0 HD11 LEU A 8 -7.962 -0.389 -2.021 1.00 0.00 H new ATOM 0 HD12 LEU A 8 -7.547 1.319 -2.298 1.00 0.00 H new ATOM 0 HD13 LEU A 8 -7.020 0.506 -0.805 1.00 0.00 H new ATOM 0 HD21 LEU A 8 -9.659 -1.010 -0.352 1.00 0.00 H new ATOM 0 HD22 LEU A 8 -8.775 -0.145 0.928 1.00 0.00 H new ATOM 0 HD23 LEU A 8 -10.482 0.243 0.607 1.00 0.00 H new ATOM 120 N GLN A 9 -9.968 4.266 2.496 1.00 0.00 N ATOM 121 CA GLN A 9 -9.844 5.470 3.260 1.00 0.00 C ATOM 122 C GLN A 9 -8.463 5.647 3.842 1.00 0.00 C ATOM 123 O GLN A 9 -7.778 4.676 4.140 1.00 0.00 O ATOM 124 CB GLN A 9 -10.902 5.547 4.364 1.00 0.00 C ATOM 125 CG GLN A 9 -12.332 5.718 3.866 1.00 0.00 C ATOM 126 CD GLN A 9 -12.485 6.947 2.986 1.00 0.00 C ATOM 127 OE1 GLN A 9 -12.731 8.043 3.467 1.00 0.00 O ATOM 128 NE2 GLN A 9 -12.386 6.764 1.700 1.00 0.00 N ATOM 0 H GLN A 9 -10.217 3.442 3.043 1.00 0.00 H new ATOM 0 HA GLN A 9 -10.011 6.290 2.562 1.00 0.00 H new ATOM 0 HB2 GLN A 9 -10.847 4.639 4.965 1.00 0.00 H new ATOM 0 HB3 GLN A 9 -10.659 6.380 5.023 1.00 0.00 H new ATOM 0 HG2 GLN A 9 -12.629 4.832 3.306 1.00 0.00 H new ATOM 0 HG3 GLN A 9 -13.006 5.797 4.719 1.00 0.00 H new ATOM 0 HE21 GLN A 9 -12.179 5.836 1.331 1.00 0.00 H new ATOM 0 HE22 GLN A 9 -12.515 7.549 1.062 1.00 0.00 H new ATOM 137 N PRO A 10 -8.041 6.901 4.015 1.00 0.00 N ATOM 138 CA PRO A 10 -6.754 7.214 4.590 1.00 0.00 C ATOM 139 C PRO A 10 -6.694 6.769 6.044 1.00 0.00 C ATOM 140 O PRO A 10 -7.584 7.077 6.838 1.00 0.00 O ATOM 141 CB PRO A 10 -6.638 8.736 4.485 1.00 0.00 C ATOM 142 CG PRO A 10 -7.798 9.194 3.660 1.00 0.00 C ATOM 143 CD PRO A 10 -8.813 8.101 3.690 1.00 0.00 C ATOM 0 HA PRO A 10 -5.939 6.704 4.077 1.00 0.00 H new ATOM 0 HB2 PRO A 10 -6.659 9.196 5.473 1.00 0.00 H new ATOM 0 HB3 PRO A 10 -5.694 9.022 4.020 1.00 0.00 H new ATOM 0 HG2 PRO A 10 -8.215 10.118 4.060 1.00 0.00 H new ATOM 0 HG3 PRO A 10 -7.485 9.402 2.637 1.00 0.00 H new ATOM 0 HD2 PRO A 10 -9.583 8.293 4.437 1.00 0.00 H new ATOM 0 HD3 PRO A 10 -9.319 8.001 2.730 1.00 0.00 H new ATOM 151 N GLY A 11 -5.665 6.043 6.372 1.00 0.00 N ATOM 152 CA GLY A 11 -5.518 5.512 7.691 1.00 0.00 C ATOM 153 C GLY A 11 -5.677 4.013 7.695 1.00 0.00 C ATOM 154 O GLY A 11 -5.342 3.355 8.678 1.00 0.00 O ATOM 0 H GLY A 11 -4.907 5.804 5.733 1.00 0.00 H new ATOM 0 HA2 GLY A 11 -4.537 5.778 8.086 1.00 0.00 H new ATOM 0 HA3 GLY A 11 -6.260 5.961 8.352 1.00 0.00 H new ATOM 158 N ASP A 12 -6.188 3.477 6.585 1.00 0.00 N ATOM 159 CA ASP A 12 -6.398 2.033 6.441 1.00 0.00 C ATOM 160 C ASP A 12 -5.059 1.305 6.396 1.00 0.00 C ATOM 161 O ASP A 12 -4.037 1.861 5.920 1.00 0.00 O ATOM 162 CB ASP A 12 -7.187 1.734 5.174 1.00 0.00 C ATOM 163 CG ASP A 12 -7.703 0.305 5.094 1.00 0.00 C ATOM 164 OD1 ASP A 12 -8.084 -0.121 3.986 1.00 0.00 O ATOM 165 OD2 ASP A 12 -7.722 -0.391 6.140 1.00 0.00 O ATOM 0 H ASP A 12 -6.465 4.023 5.769 1.00 0.00 H new ATOM 0 HA ASP A 12 -6.966 1.682 7.303 1.00 0.00 H new ATOM 0 HB2 ASP A 12 -8.032 2.419 5.114 1.00 0.00 H new ATOM 0 HB3 ASP A 12 -6.554 1.931 4.308 1.00 0.00 H new ATOM 170 N VAL A 13 -5.068 0.089 6.854 1.00 0.00 N ATOM 171 CA VAL A 13 -3.902 -0.717 6.988 1.00 0.00 C ATOM 172 C VAL A 13 -4.061 -2.052 6.226 1.00 0.00 C ATOM 173 O VAL A 13 -4.670 -3.023 6.693 1.00 0.00 O ATOM 174 CB VAL A 13 -3.551 -0.909 8.495 1.00 0.00 C ATOM 175 CG1 VAL A 13 -4.663 -1.601 9.298 1.00 0.00 C ATOM 176 CG2 VAL A 13 -2.201 -1.572 8.693 1.00 0.00 C ATOM 0 H VAL A 13 -5.922 -0.382 7.154 1.00 0.00 H new ATOM 0 HA VAL A 13 -3.056 -0.206 6.528 1.00 0.00 H new ATOM 0 HB VAL A 13 -3.473 0.097 8.907 1.00 0.00 H new ATOM 0 HG11 VAL A 13 -4.352 -1.702 10.338 1.00 0.00 H new ATOM 0 HG12 VAL A 13 -5.573 -1.004 9.248 1.00 0.00 H new ATOM 0 HG13 VAL A 13 -4.854 -2.589 8.879 1.00 0.00 H new ATOM 0 HG21 VAL A 13 -2.003 -1.683 9.759 1.00 0.00 H new ATOM 0 HG22 VAL A 13 -2.205 -2.554 8.220 1.00 0.00 H new ATOM 0 HG23 VAL A 13 -1.423 -0.956 8.242 1.00 0.00 H new ATOM 186 N VAL A 14 -3.516 -2.082 5.052 1.00 0.00 N ATOM 187 CA VAL A 14 -3.678 -3.205 4.159 1.00 0.00 C ATOM 188 C VAL A 14 -2.342 -3.794 3.759 1.00 0.00 C ATOM 189 O VAL A 14 -1.280 -3.268 4.102 1.00 0.00 O ATOM 190 CB VAL A 14 -4.445 -2.779 2.873 1.00 0.00 C ATOM 191 CG1 VAL A 14 -5.876 -2.391 3.202 1.00 0.00 C ATOM 192 CG2 VAL A 14 -3.738 -1.605 2.193 1.00 0.00 C ATOM 0 H VAL A 14 -2.941 -1.328 4.675 1.00 0.00 H new ATOM 0 HA VAL A 14 -4.251 -3.960 4.697 1.00 0.00 H new ATOM 0 HB VAL A 14 -4.459 -3.631 2.193 1.00 0.00 H new ATOM 0 HG11 VAL A 14 -6.393 -2.097 2.288 1.00 0.00 H new ATOM 0 HG12 VAL A 14 -6.389 -3.241 3.652 1.00 0.00 H new ATOM 0 HG13 VAL A 14 -5.875 -1.556 3.903 1.00 0.00 H new ATOM 0 HG21 VAL A 14 -4.287 -1.320 1.296 1.00 0.00 H new ATOM 0 HG22 VAL A 14 -3.698 -0.758 2.878 1.00 0.00 H new ATOM 0 HG23 VAL A 14 -2.725 -1.899 1.920 1.00 0.00 H new ATOM 202 N LYS A 15 -2.401 -4.899 3.073 1.00 0.00 N ATOM 203 CA LYS A 15 -1.243 -5.515 2.493 1.00 0.00 C ATOM 204 C LYS A 15 -1.317 -5.321 1.008 1.00 0.00 C ATOM 205 O LYS A 15 -2.371 -5.575 0.385 1.00 0.00 O ATOM 206 CB LYS A 15 -1.169 -7.002 2.841 1.00 0.00 C ATOM 207 CG LYS A 15 -2.495 -7.704 2.729 1.00 0.00 C ATOM 208 CD LYS A 15 -2.386 -9.183 2.955 1.00 0.00 C ATOM 209 CE LYS A 15 -3.729 -9.832 2.721 1.00 0.00 C ATOM 210 NZ LYS A 15 -3.720 -11.289 2.922 1.00 0.00 N ATOM 0 H LYS A 15 -3.269 -5.405 2.898 1.00 0.00 H new ATOM 0 HA LYS A 15 -0.340 -5.053 2.893 1.00 0.00 H new ATOM 0 HB2 LYS A 15 -0.451 -7.488 2.180 1.00 0.00 H new ATOM 0 HB3 LYS A 15 -0.792 -7.112 3.858 1.00 0.00 H new ATOM 0 HG2 LYS A 15 -3.189 -7.280 3.455 1.00 0.00 H new ATOM 0 HG3 LYS A 15 -2.916 -7.521 1.740 1.00 0.00 H new ATOM 0 HD2 LYS A 15 -1.642 -9.610 2.282 1.00 0.00 H new ATOM 0 HD3 LYS A 15 -2.047 -9.382 3.972 1.00 0.00 H new ATOM 0 HE2 LYS A 15 -4.462 -9.385 3.393 1.00 0.00 H new ATOM 0 HE3 LYS A 15 -4.056 -9.616 1.704 1.00 0.00 H new ATOM 0 HZ1 LYS A 15 -4.406 -11.732 2.279 1.00 0.00 H new ATOM 0 HZ2 LYS A 15 -2.769 -11.661 2.724 1.00 0.00 H new ATOM 0 HZ3 LYS A 15 -3.978 -11.505 3.906 1.00 0.00 H new ATOM 224 N VAL A 16 -0.260 -4.836 0.444 1.00 0.00 N ATOM 225 CA VAL A 16 -0.221 -4.580 -0.951 1.00 0.00 C ATOM 226 C VAL A 16 1.004 -5.205 -1.562 1.00 0.00 C ATOM 227 O VAL A 16 2.084 -5.218 -0.954 1.00 0.00 O ATOM 228 CB VAL A 16 -0.238 -3.059 -1.281 1.00 0.00 C ATOM 229 CG1 VAL A 16 -1.492 -2.389 -0.755 1.00 0.00 C ATOM 230 CG2 VAL A 16 0.996 -2.361 -0.741 1.00 0.00 C ATOM 0 H VAL A 16 0.600 -4.607 0.942 1.00 0.00 H new ATOM 0 HA VAL A 16 -1.122 -5.023 -1.375 1.00 0.00 H new ATOM 0 HB VAL A 16 -0.235 -2.970 -2.367 1.00 0.00 H new ATOM 0 HG11 VAL A 16 -1.469 -1.328 -1.004 1.00 0.00 H new ATOM 0 HG12 VAL A 16 -2.369 -2.850 -1.210 1.00 0.00 H new ATOM 0 HG13 VAL A 16 -1.541 -2.507 0.328 1.00 0.00 H new ATOM 0 HG21 VAL A 16 0.952 -1.301 -0.989 1.00 0.00 H new ATOM 0 HG22 VAL A 16 1.036 -2.479 0.342 1.00 0.00 H new ATOM 0 HG23 VAL A 16 1.888 -2.801 -1.187 1.00 0.00 H new ATOM 240 N LEU A 17 0.847 -5.749 -2.719 1.00 0.00 N ATOM 241 CA LEU A 17 1.965 -6.245 -3.432 1.00 0.00 C ATOM 242 C LEU A 17 2.308 -5.227 -4.473 1.00 0.00 C ATOM 243 O LEU A 17 1.590 -5.064 -5.463 1.00 0.00 O ATOM 244 CB LEU A 17 1.725 -7.674 -4.010 1.00 0.00 C ATOM 245 CG LEU A 17 2.894 -8.360 -4.791 1.00 0.00 C ATOM 246 CD1 LEU A 17 2.661 -9.857 -4.858 1.00 0.00 C ATOM 247 CD2 LEU A 17 3.015 -7.834 -6.221 1.00 0.00 C ATOM 0 H LEU A 17 -0.051 -5.860 -3.191 1.00 0.00 H new ATOM 0 HA LEU A 17 2.814 -6.382 -2.763 1.00 0.00 H new ATOM 0 HB2 LEU A 17 1.450 -8.327 -3.182 1.00 0.00 H new ATOM 0 HB3 LEU A 17 0.864 -7.624 -4.676 1.00 0.00 H new ATOM 0 HG LEU A 17 3.814 -8.131 -4.253 1.00 0.00 H new ATOM 0 HD11 LEU A 17 3.479 -10.328 -5.403 1.00 0.00 H new ATOM 0 HD12 LEU A 17 2.616 -10.264 -3.848 1.00 0.00 H new ATOM 0 HD13 LEU A 17 1.720 -10.056 -5.371 1.00 0.00 H new ATOM 0 HD21 LEU A 17 3.839 -8.338 -6.726 1.00 0.00 H new ATOM 0 HD22 LEU A 17 2.087 -8.027 -6.760 1.00 0.00 H new ATOM 0 HD23 LEU A 17 3.205 -6.761 -6.199 1.00 0.00 H new ATOM 259 N GLU A 18 3.336 -4.480 -4.202 1.00 0.00 N ATOM 260 CA GLU A 18 3.786 -3.459 -5.124 1.00 0.00 C ATOM 261 C GLU A 18 4.439 -4.113 -6.328 1.00 0.00 C ATOM 262 O GLU A 18 3.894 -4.144 -7.429 1.00 0.00 O ATOM 263 CB GLU A 18 4.817 -2.541 -4.471 1.00 0.00 C ATOM 264 CG GLU A 18 5.325 -1.473 -5.426 1.00 0.00 C ATOM 265 CD GLU A 18 6.641 -0.904 -5.024 1.00 0.00 C ATOM 266 OE1 GLU A 18 6.695 -0.054 -4.131 1.00 0.00 O ATOM 267 OE2 GLU A 18 7.665 -1.313 -5.619 1.00 0.00 O ATOM 0 H GLU A 18 3.887 -4.553 -3.347 1.00 0.00 H new ATOM 0 HA GLU A 18 2.916 -2.873 -5.421 1.00 0.00 H new ATOM 0 HB2 GLU A 18 4.373 -2.063 -3.598 1.00 0.00 H new ATOM 0 HB3 GLU A 18 5.658 -3.137 -4.116 1.00 0.00 H new ATOM 0 HG2 GLU A 18 5.411 -1.900 -6.425 1.00 0.00 H new ATOM 0 HG3 GLU A 18 4.592 -0.669 -5.485 1.00 0.00 H new ATOM 274 N SER A 19 5.569 -4.694 -6.064 1.00 0.00 N ATOM 275 CA SER A 19 6.405 -5.248 -7.053 1.00 0.00 C ATOM 276 C SER A 19 6.754 -6.672 -6.664 1.00 0.00 C ATOM 277 O SER A 19 6.763 -7.010 -5.470 1.00 0.00 O ATOM 278 CB SER A 19 7.663 -4.375 -7.162 1.00 0.00 C ATOM 279 OG SER A 19 7.357 -3.088 -7.651 1.00 0.00 O ATOM 0 H SER A 19 5.936 -4.792 -5.117 1.00 0.00 H new ATOM 0 HA SER A 19 5.907 -5.273 -8.022 1.00 0.00 H new ATOM 0 HB2 SER A 19 8.135 -4.291 -6.183 1.00 0.00 H new ATOM 0 HB3 SER A 19 8.384 -4.855 -7.823 1.00 0.00 H new ATOM 0 HG SER A 19 7.522 -2.424 -6.950 1.00 0.00 H new ATOM 285 N ALA A 20 7.050 -7.499 -7.655 1.00 0.00 N ATOM 286 CA ALA A 20 7.373 -8.916 -7.441 1.00 0.00 C ATOM 287 C ALA A 20 8.657 -9.097 -6.629 1.00 0.00 C ATOM 288 O ALA A 20 8.875 -10.131 -6.041 1.00 0.00 O ATOM 289 CB ALA A 20 7.480 -9.636 -8.777 1.00 0.00 C ATOM 0 H ALA A 20 7.075 -7.214 -8.634 1.00 0.00 H new ATOM 0 HA ALA A 20 6.561 -9.355 -6.861 1.00 0.00 H new ATOM 0 HB1 ALA A 20 7.720 -10.686 -8.607 1.00 0.00 H new ATOM 0 HB2 ALA A 20 6.531 -9.562 -9.307 1.00 0.00 H new ATOM 0 HB3 ALA A 20 8.267 -9.177 -9.376 1.00 0.00 H new ATOM 295 N ALA A 21 9.480 -8.065 -6.592 1.00 0.00 N ATOM 296 CA ALA A 21 10.735 -8.107 -5.852 1.00 0.00 C ATOM 297 C ALA A 21 10.530 -7.681 -4.396 1.00 0.00 C ATOM 298 O ALA A 21 11.476 -7.596 -3.630 1.00 0.00 O ATOM 299 CB ALA A 21 11.767 -7.214 -6.528 1.00 0.00 C ATOM 0 H ALA A 21 9.303 -7.180 -7.068 1.00 0.00 H new ATOM 0 HA ALA A 21 11.100 -9.134 -5.851 1.00 0.00 H new ATOM 0 HB1 ALA A 21 12.702 -7.251 -5.969 1.00 0.00 H new ATOM 0 HB2 ALA A 21 11.939 -7.563 -7.546 1.00 0.00 H new ATOM 0 HB3 ALA A 21 11.400 -6.188 -6.553 1.00 0.00 H new ATOM 305 N LEU A 22 9.291 -7.399 -4.035 1.00 0.00 N ATOM 306 CA LEU A 22 8.963 -6.989 -2.680 1.00 0.00 C ATOM 307 C LEU A 22 7.887 -7.888 -2.105 1.00 0.00 C ATOM 308 O LEU A 22 7.970 -8.317 -0.966 1.00 0.00 O ATOM 309 CB LEU A 22 8.492 -5.524 -2.636 1.00 0.00 C ATOM 310 CG LEU A 22 9.512 -4.455 -3.056 1.00 0.00 C ATOM 311 CD1 LEU A 22 8.883 -3.076 -2.990 1.00 0.00 C ATOM 312 CD2 LEU A 22 10.751 -4.506 -2.169 1.00 0.00 C ATOM 0 H LEU A 22 8.490 -7.447 -4.665 1.00 0.00 H new ATOM 0 HA LEU A 22 9.868 -7.076 -2.079 1.00 0.00 H new ATOM 0 HB2 LEU A 22 7.617 -5.429 -3.279 1.00 0.00 H new ATOM 0 HB3 LEU A 22 8.167 -5.302 -1.620 1.00 0.00 H new ATOM 0 HG LEU A 22 9.816 -4.660 -4.083 1.00 0.00 H new ATOM 0 HD11 LEU A 22 9.616 -2.327 -3.290 1.00 0.00 H new ATOM 0 HD12 LEU A 22 8.026 -3.035 -3.662 1.00 0.00 H new ATOM 0 HD13 LEU A 22 8.555 -2.874 -1.970 1.00 0.00 H new ATOM 0 HD21 LEU A 22 11.458 -3.739 -2.487 1.00 0.00 H new ATOM 0 HD22 LEU A 22 10.464 -4.328 -1.133 1.00 0.00 H new ATOM 0 HD23 LEU A 22 11.218 -5.487 -2.253 1.00 0.00 H new ATOM 324 N GLY A 23 6.877 -8.167 -2.905 1.00 0.00 N ATOM 325 CA GLY A 23 5.799 -8.996 -2.451 1.00 0.00 C ATOM 326 C GLY A 23 4.767 -8.177 -1.730 1.00 0.00 C ATOM 327 O GLY A 23 4.653 -6.965 -1.967 1.00 0.00 O ATOM 0 H GLY A 23 6.788 -7.831 -3.864 1.00 0.00 H new ATOM 0 HA2 GLY A 23 5.340 -9.502 -3.300 1.00 0.00 H new ATOM 0 HA3 GLY A 23 6.184 -9.771 -1.788 1.00 0.00 H new ATOM 331 N TRP A 24 4.010 -8.824 -0.887 1.00 0.00 N ATOM 332 CA TRP A 24 3.002 -8.168 -0.090 1.00 0.00 C ATOM 333 C TRP A 24 3.639 -7.523 1.120 1.00 0.00 C ATOM 334 O TRP A 24 4.138 -8.213 2.008 1.00 0.00 O ATOM 335 CB TRP A 24 1.933 -9.171 0.377 1.00 0.00 C ATOM 336 CG TRP A 24 1.175 -9.810 -0.732 1.00 0.00 C ATOM 337 CD1 TRP A 24 1.480 -10.972 -1.382 1.00 0.00 C ATOM 338 CD2 TRP A 24 -0.014 -9.315 -1.329 1.00 0.00 C ATOM 339 NE1 TRP A 24 0.545 -11.224 -2.353 1.00 0.00 N ATOM 340 CE2 TRP A 24 -0.381 -10.216 -2.345 1.00 0.00 C ATOM 341 CE3 TRP A 24 -0.803 -8.191 -1.105 1.00 0.00 C ATOM 342 CZ2 TRP A 24 -1.505 -10.023 -3.138 1.00 0.00 C ATOM 343 CZ3 TRP A 24 -1.908 -8.001 -1.890 1.00 0.00 C ATOM 344 CH2 TRP A 24 -2.252 -8.909 -2.900 1.00 0.00 C ATOM 0 H TRP A 24 4.073 -9.830 -0.730 1.00 0.00 H new ATOM 0 HA TRP A 24 2.526 -7.406 -0.708 1.00 0.00 H new ATOM 0 HB2 TRP A 24 2.414 -9.949 0.970 1.00 0.00 H new ATOM 0 HB3 TRP A 24 1.231 -8.658 1.034 1.00 0.00 H new ATOM 0 HD1 TRP A 24 2.331 -11.599 -1.164 1.00 0.00 H new ATOM 0 HE1 TRP A 24 0.540 -12.030 -2.978 1.00 0.00 H new ATOM 0 HE3 TRP A 24 -0.549 -7.484 -0.329 1.00 0.00 H new ATOM 0 HZ2 TRP A 24 -1.775 -10.727 -3.911 1.00 0.00 H new ATOM 0 HZ3 TRP A 24 -2.528 -7.132 -1.727 1.00 0.00 H new ATOM 0 HH2 TRP A 24 -3.128 -8.722 -3.503 1.00 0.00 H new ATOM 355 N VAL A 25 3.635 -6.227 1.149 1.00 0.00 N ATOM 356 CA VAL A 25 4.168 -5.502 2.267 1.00 0.00 C ATOM 357 C VAL A 25 2.994 -4.750 2.868 1.00 0.00 C ATOM 358 O VAL A 25 1.947 -4.612 2.213 1.00 0.00 O ATOM 359 CB VAL A 25 5.280 -4.475 1.852 1.00 0.00 C ATOM 360 CG1 VAL A 25 6.166 -4.104 3.040 1.00 0.00 C ATOM 361 CG2 VAL A 25 6.120 -4.974 0.679 1.00 0.00 C ATOM 0 H VAL A 25 3.264 -5.640 0.402 1.00 0.00 H new ATOM 0 HA VAL A 25 4.638 -6.196 2.964 1.00 0.00 H new ATOM 0 HB VAL A 25 4.765 -3.574 1.518 1.00 0.00 H new ATOM 0 HG11 VAL A 25 6.926 -3.391 2.719 1.00 0.00 H new ATOM 0 HG12 VAL A 25 5.555 -3.655 3.823 1.00 0.00 H new ATOM 0 HG13 VAL A 25 6.650 -5.001 3.427 1.00 0.00 H new ATOM 0 HG21 VAL A 25 6.875 -4.229 0.429 1.00 0.00 H new ATOM 0 HG22 VAL A 25 6.609 -5.909 0.953 1.00 0.00 H new ATOM 0 HG23 VAL A 25 5.476 -5.141 -0.184 1.00 0.00 H new ATOM 371 N ARG A 26 3.136 -4.271 4.067 1.00 0.00 N ATOM 372 CA ARG A 26 2.054 -3.568 4.703 1.00 0.00 C ATOM 373 C ARG A 26 2.057 -2.138 4.211 1.00 0.00 C ATOM 374 O ARG A 26 3.132 -1.530 4.044 1.00 0.00 O ATOM 375 CB ARG A 26 2.167 -3.621 6.235 1.00 0.00 C ATOM 376 CG ARG A 26 0.910 -3.138 6.952 1.00 0.00 C ATOM 377 CD ARG A 26 1.032 -3.223 8.471 1.00 0.00 C ATOM 378 NE ARG A 26 1.940 -2.216 9.036 1.00 0.00 N ATOM 379 CZ ARG A 26 2.076 -1.942 10.341 1.00 0.00 C ATOM 380 NH1 ARG A 26 1.470 -2.709 11.265 1.00 0.00 N ATOM 381 NH2 ARG A 26 2.821 -0.912 10.724 1.00 0.00 N ATOM 0 H ARG A 26 3.985 -4.352 4.626 1.00 0.00 H new ATOM 0 HA ARG A 26 1.111 -4.049 4.442 1.00 0.00 H new ATOM 0 HB2 ARG A 26 2.380 -4.645 6.541 1.00 0.00 H new ATOM 0 HB3 ARG A 26 3.014 -3.011 6.551 1.00 0.00 H new ATOM 0 HG2 ARG A 26 0.706 -2.107 6.665 1.00 0.00 H new ATOM 0 HG3 ARG A 26 0.058 -3.734 6.626 1.00 0.00 H new ATOM 0 HD2 ARG A 26 0.044 -3.102 8.916 1.00 0.00 H new ATOM 0 HD3 ARG A 26 1.386 -4.217 8.746 1.00 0.00 H new ATOM 0 HE ARG A 26 2.513 -1.682 8.383 1.00 0.00 H new ATOM 0 HH11 ARG A 26 0.903 -3.505 10.974 1.00 0.00 H new ATOM 0 HH12 ARG A 26 1.578 -2.494 12.256 1.00 0.00 H new ATOM 0 HH21 ARG A 26 3.287 -0.332 10.026 1.00 0.00 H new ATOM 0 HH22 ARG A 26 2.927 -0.700 11.716 1.00 0.00 H new ATOM 395 N ALA A 27 0.899 -1.630 3.918 1.00 0.00 N ATOM 396 CA ALA A 27 0.761 -0.297 3.442 1.00 0.00 C ATOM 397 C ALA A 27 -0.361 0.399 4.136 1.00 0.00 C ATOM 398 O ALA A 27 -1.367 -0.212 4.502 1.00 0.00 O ATOM 399 CB ALA A 27 0.570 -0.259 1.948 1.00 0.00 C ATOM 0 H ALA A 27 0.018 -2.137 4.005 1.00 0.00 H new ATOM 0 HA ALA A 27 1.687 0.231 3.669 1.00 0.00 H new ATOM 0 HB1 ALA A 27 0.468 0.776 1.620 1.00 0.00 H new ATOM 0 HB2 ALA A 27 1.433 -0.711 1.459 1.00 0.00 H new ATOM 0 HB3 ALA A 27 -0.330 -0.814 1.682 1.00 0.00 H new ATOM 405 N ARG A 28 -0.174 1.655 4.322 1.00 0.00 N ATOM 406 CA ARG A 28 -1.108 2.503 4.983 1.00 0.00 C ATOM 407 C ARG A 28 -1.620 3.471 3.953 1.00 0.00 C ATOM 408 O ARG A 28 -0.819 4.135 3.288 1.00 0.00 O ATOM 409 CB ARG A 28 -0.365 3.266 6.083 1.00 0.00 C ATOM 410 CG ARG A 28 0.456 2.360 7.001 1.00 0.00 C ATOM 411 CD ARG A 28 1.363 3.152 7.929 1.00 0.00 C ATOM 412 NE ARG A 28 2.290 4.049 7.191 1.00 0.00 N ATOM 413 CZ ARG A 28 3.595 4.218 7.481 1.00 0.00 C ATOM 414 NH1 ARG A 28 4.225 3.364 8.294 1.00 0.00 N ATOM 415 NH2 ARG A 28 4.293 5.192 6.884 1.00 0.00 N ATOM 0 H ARG A 28 0.665 2.143 4.007 1.00 0.00 H new ATOM 0 HA ARG A 28 -1.930 1.941 5.426 1.00 0.00 H new ATOM 0 HB2 ARG A 28 0.296 4.000 5.623 1.00 0.00 H new ATOM 0 HB3 ARG A 28 -1.087 3.820 6.683 1.00 0.00 H new ATOM 0 HG2 ARG A 28 -0.217 1.741 7.595 1.00 0.00 H new ATOM 0 HG3 ARG A 28 1.060 1.684 6.396 1.00 0.00 H new ATOM 0 HD2 ARG A 28 0.752 3.746 8.609 1.00 0.00 H new ATOM 0 HD3 ARG A 28 1.942 2.461 8.542 1.00 0.00 H new ATOM 0 HE ARG A 28 1.910 4.577 6.405 1.00 0.00 H new ATOM 0 HH11 ARG A 28 3.718 2.578 8.700 1.00 0.00 H new ATOM 0 HH12 ARG A 28 5.213 3.499 8.509 1.00 0.00 H new ATOM 0 HH21 ARG A 28 3.837 5.806 6.209 1.00 0.00 H new ATOM 0 HH22 ARG A 28 5.281 5.320 7.104 1.00 0.00 H new ATOM 429 N VAL A 29 -2.911 3.515 3.768 1.00 0.00 N ATOM 430 CA VAL A 29 -3.511 4.444 2.823 1.00 0.00 C ATOM 431 C VAL A 29 -3.329 5.840 3.359 1.00 0.00 C ATOM 432 O VAL A 29 -3.776 6.145 4.454 1.00 0.00 O ATOM 433 CB VAL A 29 -5.021 4.151 2.619 1.00 0.00 C ATOM 434 CG1 VAL A 29 -5.625 5.093 1.578 1.00 0.00 C ATOM 435 CG2 VAL A 29 -5.250 2.700 2.207 1.00 0.00 C ATOM 0 H VAL A 29 -3.579 2.919 4.257 1.00 0.00 H new ATOM 0 HA VAL A 29 -3.023 4.334 1.854 1.00 0.00 H new ATOM 0 HB VAL A 29 -5.519 4.321 3.573 1.00 0.00 H new ATOM 0 HG11 VAL A 29 -6.684 4.867 1.454 1.00 0.00 H new ATOM 0 HG12 VAL A 29 -5.511 6.125 1.911 1.00 0.00 H new ATOM 0 HG13 VAL A 29 -5.111 4.960 0.626 1.00 0.00 H new ATOM 0 HG21 VAL A 29 -6.317 2.524 2.071 1.00 0.00 H new ATOM 0 HG22 VAL A 29 -4.728 2.501 1.271 1.00 0.00 H new ATOM 0 HG23 VAL A 29 -4.869 2.037 2.984 1.00 0.00 H new ATOM 445 N ILE A 30 -2.623 6.660 2.626 1.00 0.00 N ATOM 446 CA ILE A 30 -2.395 8.012 3.061 1.00 0.00 C ATOM 447 C ILE A 30 -3.504 8.864 2.646 1.00 0.00 C ATOM 448 O ILE A 30 -3.986 9.679 3.429 1.00 0.00 O ATOM 449 CB ILE A 30 -1.051 8.647 2.577 1.00 0.00 C ATOM 450 CG1 ILE A 30 0.156 7.857 3.068 1.00 0.00 C ATOM 451 CG2 ILE A 30 -0.934 10.109 3.050 1.00 0.00 C ATOM 452 CD1 ILE A 30 1.480 8.486 2.660 1.00 0.00 C ATOM 0 H ILE A 30 -2.198 6.418 1.731 1.00 0.00 H new ATOM 0 HA ILE A 30 -2.324 7.951 4.147 1.00 0.00 H new ATOM 0 HB ILE A 30 -1.061 8.619 1.487 1.00 0.00 H new ATOM 0 HG12 ILE A 30 0.116 7.779 4.154 1.00 0.00 H new ATOM 0 HG13 ILE A 30 0.105 6.842 2.674 1.00 0.00 H new ATOM 0 HG21 ILE A 30 0.009 10.530 2.701 1.00 0.00 H new ATOM 0 HG22 ILE A 30 -1.762 10.690 2.645 1.00 0.00 H new ATOM 0 HG23 ILE A 30 -0.966 10.143 4.139 1.00 0.00 H new ATOM 0 HD11 ILE A 30 2.303 7.879 3.038 1.00 0.00 H new ATOM 0 HD12 ILE A 30 1.538 8.539 1.573 1.00 0.00 H new ATOM 0 HD13 ILE A 30 1.549 9.491 3.077 1.00 0.00 H new ATOM 464 N ARG A 31 -3.934 8.708 1.432 1.00 0.00 N ATOM 465 CA ARG A 31 -4.861 9.564 0.960 1.00 0.00 C ATOM 466 C ARG A 31 -5.550 9.036 -0.245 1.00 0.00 C ATOM 467 O ARG A 31 -5.080 8.105 -0.924 1.00 0.00 O ATOM 468 CB ARG A 31 -4.111 10.794 0.640 1.00 0.00 C ATOM 469 CG ARG A 31 -3.698 10.996 -0.819 1.00 0.00 C ATOM 470 CD ARG A 31 -2.797 12.196 -1.044 1.00 0.00 C ATOM 471 NE ARG A 31 -1.575 12.134 -0.187 1.00 0.00 N ATOM 472 CZ ARG A 31 -0.330 11.712 -0.567 1.00 0.00 C ATOM 473 NH1 ARG A 31 -0.059 11.437 -1.836 1.00 0.00 N ATOM 474 NH2 ARG A 31 0.643 11.604 0.331 1.00 0.00 N ATOM 0 H ARG A 31 -3.630 7.981 0.785 1.00 0.00 H new ATOM 0 HA ARG A 31 -5.651 9.734 1.691 1.00 0.00 H new ATOM 0 HB2 ARG A 31 -4.717 11.648 0.942 1.00 0.00 H new ATOM 0 HB3 ARG A 31 -3.210 10.810 1.253 1.00 0.00 H new ATOM 0 HG2 ARG A 31 -3.186 10.099 -1.169 1.00 0.00 H new ATOM 0 HG3 ARG A 31 -4.595 11.109 -1.428 1.00 0.00 H new ATOM 0 HD2 ARG A 31 -2.505 12.241 -2.093 1.00 0.00 H new ATOM 0 HD3 ARG A 31 -3.348 13.111 -0.827 1.00 0.00 H new ATOM 0 HE ARG A 31 -1.679 12.438 0.781 1.00 0.00 H new ATOM 0 HH11 ARG A 31 -0.784 11.539 -2.546 1.00 0.00 H new ATOM 0 HH12 ARG A 31 0.875 11.124 -2.102 1.00 0.00 H new ATOM 0 HH21 ARG A 31 0.463 11.836 1.308 1.00 0.00 H new ATOM 0 HH22 ARG A 31 1.570 11.289 0.044 1.00 0.00 H new ATOM 488 N VAL A 32 -6.606 9.671 -0.519 1.00 0.00 N ATOM 489 CA VAL A 32 -7.388 9.420 -1.663 1.00 0.00 C ATOM 490 C VAL A 32 -7.052 10.450 -2.711 1.00 0.00 C ATOM 491 O VAL A 32 -6.911 11.639 -2.418 1.00 0.00 O ATOM 492 CB VAL A 32 -8.908 9.410 -1.354 1.00 0.00 C ATOM 493 CG1 VAL A 32 -9.268 8.232 -0.469 1.00 0.00 C ATOM 494 CG2 VAL A 32 -9.363 10.713 -0.691 1.00 0.00 C ATOM 0 H VAL A 32 -6.974 10.417 0.071 1.00 0.00 H new ATOM 0 HA VAL A 32 -7.153 8.422 -2.032 1.00 0.00 H new ATOM 0 HB VAL A 32 -9.428 9.316 -2.308 1.00 0.00 H new ATOM 0 HG11 VAL A 32 -10.339 8.244 -0.265 1.00 0.00 H new ATOM 0 HG12 VAL A 32 -9.006 7.303 -0.975 1.00 0.00 H new ATOM 0 HG13 VAL A 32 -8.719 8.301 0.470 1.00 0.00 H new ATOM 0 HG21 VAL A 32 -10.433 10.665 -0.491 1.00 0.00 H new ATOM 0 HG22 VAL A 32 -8.825 10.851 0.247 1.00 0.00 H new ATOM 0 HG23 VAL A 32 -9.155 11.551 -1.356 1.00 0.00 H new ATOM 504 N LYS A 33 -6.762 9.982 -3.870 1.00 0.00 N ATOM 505 CA LYS A 33 -6.502 10.828 -4.962 1.00 0.00 C ATOM 506 C LYS A 33 -7.690 10.849 -5.842 1.00 0.00 C ATOM 507 O LYS A 33 -8.141 11.896 -6.289 1.00 0.00 O ATOM 508 CB LYS A 33 -5.433 10.198 -5.756 1.00 0.00 C ATOM 509 CG LYS A 33 -4.580 11.155 -6.467 1.00 0.00 C ATOM 510 CD LYS A 33 -3.560 11.627 -5.513 1.00 0.00 C ATOM 511 CE LYS A 33 -2.802 12.824 -6.072 1.00 0.00 C ATOM 512 NZ LYS A 33 -3.732 13.966 -6.389 1.00 0.00 N ATOM 0 H LYS A 33 -6.699 8.987 -4.083 1.00 0.00 H new ATOM 0 HA LYS A 33 -6.243 11.827 -4.611 1.00 0.00 H new ATOM 0 HB2 LYS A 33 -4.812 9.593 -5.096 1.00 0.00 H new ATOM 0 HB3 LYS A 33 -5.883 9.519 -6.480 1.00 0.00 H new ATOM 0 HG2 LYS A 33 -4.110 10.683 -7.330 1.00 0.00 H new ATOM 0 HG3 LYS A 33 -5.170 11.991 -6.843 1.00 0.00 H new ATOM 0 HD2 LYS A 33 -4.036 11.901 -4.572 1.00 0.00 H new ATOM 0 HD3 LYS A 33 -2.861 10.820 -5.293 1.00 0.00 H new ATOM 0 HE2 LYS A 33 -2.054 13.152 -5.350 1.00 0.00 H new ATOM 0 HE3 LYS A 33 -2.266 12.528 -6.974 1.00 0.00 H new ATOM 0 HZ1 LYS A 33 -3.192 14.854 -6.422 1.00 0.00 H new ATOM 0 HZ2 LYS A 33 -4.183 13.801 -7.311 1.00 0.00 H new ATOM 0 HZ3 LYS A 33 -4.464 14.032 -5.653 1.00 0.00 H new ATOM 526 N SER A 34 -8.117 9.642 -6.113 1.00 0.00 N ATOM 527 CA SER A 34 -9.138 9.315 -7.020 1.00 0.00 C ATOM 528 C SER A 34 -8.637 9.432 -8.470 1.00 0.00 C ATOM 529 O SER A 34 -7.544 9.982 -8.732 1.00 0.00 O ATOM 530 CB SER A 34 -10.474 10.023 -6.738 1.00 0.00 C ATOM 531 OG SER A 34 -10.958 9.664 -5.443 1.00 0.00 O ATOM 0 H SER A 34 -7.719 8.818 -5.663 1.00 0.00 H new ATOM 0 HA SER A 34 -9.389 8.266 -6.866 1.00 0.00 H new ATOM 0 HB2 SER A 34 -10.341 11.103 -6.798 1.00 0.00 H new ATOM 0 HB3 SER A 34 -11.207 9.749 -7.497 1.00 0.00 H new ATOM 0 HG SER A 34 -11.808 10.121 -5.273 1.00 0.00 H new ATOM 537 N GLY A 35 -9.362 8.835 -9.368 1.00 0.00 N ATOM 538 CA GLY A 35 -8.968 8.796 -10.737 1.00 0.00 C ATOM 539 C GLY A 35 -8.098 7.592 -10.934 1.00 0.00 C ATOM 540 O GLY A 35 -7.176 7.590 -11.740 1.00 0.00 O ATOM 0 H GLY A 35 -10.243 8.362 -9.168 1.00 0.00 H new ATOM 0 HA2 GLY A 35 -9.843 8.744 -11.384 1.00 0.00 H new ATOM 0 HA3 GLY A 35 -8.428 9.704 -11.004 1.00 0.00 H new ATOM 544 N GLY A 36 -8.371 6.570 -10.137 1.00 0.00 N ATOM 545 CA GLY A 36 -7.591 5.367 -10.172 1.00 0.00 C ATOM 546 C GLY A 36 -6.519 5.352 -9.096 1.00 0.00 C ATOM 547 O GLY A 36 -6.138 4.291 -8.607 1.00 0.00 O ATOM 0 H GLY A 36 -9.133 6.561 -9.459 1.00 0.00 H new ATOM 0 HA2 GLY A 36 -8.247 4.506 -10.042 1.00 0.00 H new ATOM 0 HA3 GLY A 36 -7.123 5.267 -11.151 1.00 0.00 H new ATOM 551 N ARG A 37 -6.039 6.528 -8.713 1.00 0.00 N ATOM 552 CA ARG A 37 -5.007 6.612 -7.725 1.00 0.00 C ATOM 553 C ARG A 37 -5.461 6.508 -6.309 1.00 0.00 C ATOM 554 O ARG A 37 -6.295 7.290 -5.821 1.00 0.00 O ATOM 555 CB ARG A 37 -4.134 7.804 -7.887 1.00 0.00 C ATOM 556 CG ARG A 37 -3.106 7.889 -6.766 1.00 0.00 C ATOM 557 CD ARG A 37 -1.861 8.450 -7.264 1.00 0.00 C ATOM 558 NE ARG A 37 -0.844 8.650 -6.196 1.00 0.00 N ATOM 559 CZ ARG A 37 0.361 9.266 -6.326 1.00 0.00 C ATOM 560 NH1 ARG A 37 0.755 9.718 -7.523 1.00 0.00 N ATOM 561 NH2 ARG A 37 1.182 9.395 -5.261 1.00 0.00 N ATOM 0 H ARG A 37 -6.356 7.426 -9.078 1.00 0.00 H new ATOM 0 HA ARG A 37 -4.423 5.714 -7.926 1.00 0.00 H new ATOM 0 HB2 ARG A 37 -3.624 7.757 -8.849 1.00 0.00 H new ATOM 0 HB3 ARG A 37 -4.744 8.707 -7.894 1.00 0.00 H new ATOM 0 HG2 ARG A 37 -3.492 8.507 -5.955 1.00 0.00 H new ATOM 0 HG3 ARG A 37 -2.926 6.897 -6.353 1.00 0.00 H new ATOM 0 HD2 ARG A 37 -1.452 7.790 -8.028 1.00 0.00 H new ATOM 0 HD3 ARG A 37 -2.067 9.406 -7.745 1.00 0.00 H new ATOM 0 HE ARG A 37 -1.075 8.287 -5.271 1.00 0.00 H new ATOM 0 HH11 ARG A 37 0.151 9.600 -8.337 1.00 0.00 H new ATOM 0 HH12 ARG A 37 1.659 10.180 -7.621 1.00 0.00 H new ATOM 0 HH21 ARG A 37 0.899 9.029 -4.352 1.00 0.00 H new ATOM 0 HH22 ARG A 37 2.085 9.858 -5.366 1.00 0.00 H new ATOM 575 N VAL A 38 -4.899 5.557 -5.653 1.00 0.00 N ATOM 576 CA VAL A 38 -5.007 5.427 -4.250 1.00 0.00 C ATOM 577 C VAL A 38 -3.624 5.455 -3.692 1.00 0.00 C ATOM 578 O VAL A 38 -2.734 4.716 -4.138 1.00 0.00 O ATOM 579 CB VAL A 38 -5.796 4.199 -3.758 1.00 0.00 C ATOM 580 CG1 VAL A 38 -7.273 4.409 -3.971 1.00 0.00 C ATOM 581 CG2 VAL A 38 -5.346 2.923 -4.443 1.00 0.00 C ATOM 0 H VAL A 38 -4.336 4.829 -6.093 1.00 0.00 H new ATOM 0 HA VAL A 38 -5.605 6.262 -3.886 1.00 0.00 H new ATOM 0 HB VAL A 38 -5.596 4.088 -2.692 1.00 0.00 H new ATOM 0 HG11 VAL A 38 -7.819 3.534 -3.619 1.00 0.00 H new ATOM 0 HG12 VAL A 38 -7.599 5.288 -3.415 1.00 0.00 H new ATOM 0 HG13 VAL A 38 -7.470 4.557 -5.033 1.00 0.00 H new ATOM 0 HG21 VAL A 38 -5.929 2.083 -4.066 1.00 0.00 H new ATOM 0 HG22 VAL A 38 -5.496 3.015 -5.519 1.00 0.00 H new ATOM 0 HG23 VAL A 38 -4.289 2.753 -4.237 1.00 0.00 H new ATOM 591 N VAL A 39 -3.411 6.357 -2.806 1.00 0.00 N ATOM 592 CA VAL A 39 -2.120 6.570 -2.257 1.00 0.00 C ATOM 593 C VAL A 39 -1.936 5.755 -1.023 1.00 0.00 C ATOM 594 O VAL A 39 -2.697 5.887 -0.062 1.00 0.00 O ATOM 595 CB VAL A 39 -1.937 8.041 -1.895 1.00 0.00 C ATOM 596 CG1 VAL A 39 -0.634 8.262 -1.179 1.00 0.00 C ATOM 597 CG2 VAL A 39 -2.026 8.916 -3.122 1.00 0.00 C ATOM 0 H VAL A 39 -4.134 6.975 -2.437 1.00 0.00 H new ATOM 0 HA VAL A 39 -1.385 6.275 -3.006 1.00 0.00 H new ATOM 0 HB VAL A 39 -2.746 8.320 -1.220 1.00 0.00 H new ATOM 0 HG11 VAL A 39 -0.529 9.319 -0.933 1.00 0.00 H new ATOM 0 HG12 VAL A 39 -0.618 7.672 -0.262 1.00 0.00 H new ATOM 0 HG13 VAL A 39 0.191 7.956 -1.822 1.00 0.00 H new ATOM 0 HG21 VAL A 39 -1.892 9.959 -2.835 1.00 0.00 H new ATOM 0 HG22 VAL A 39 -1.247 8.631 -3.829 1.00 0.00 H new ATOM 0 HG23 VAL A 39 -3.003 8.790 -3.588 1.00 0.00 H new ATOM 607 N VAL A 40 -0.924 4.962 -1.025 1.00 0.00 N ATOM 608 CA VAL A 40 -0.602 4.172 0.097 1.00 0.00 C ATOM 609 C VAL A 40 0.875 4.290 0.293 1.00 0.00 C ATOM 610 O VAL A 40 1.619 4.534 -0.664 1.00 0.00 O ATOM 611 CB VAL A 40 -0.987 2.656 -0.075 1.00 0.00 C ATOM 612 CG1 VAL A 40 -2.477 2.471 -0.291 1.00 0.00 C ATOM 613 CG2 VAL A 40 -0.203 2.000 -1.211 1.00 0.00 C ATOM 0 H VAL A 40 -0.292 4.846 -1.818 1.00 0.00 H new ATOM 0 HA VAL A 40 -1.172 4.531 0.954 1.00 0.00 H new ATOM 0 HB VAL A 40 -0.717 2.161 0.858 1.00 0.00 H new ATOM 0 HG11 VAL A 40 -2.699 1.410 -0.405 1.00 0.00 H new ATOM 0 HG12 VAL A 40 -3.021 2.865 0.567 1.00 0.00 H new ATOM 0 HG13 VAL A 40 -2.783 3.005 -1.191 1.00 0.00 H new ATOM 0 HG21 VAL A 40 -0.496 0.954 -1.299 1.00 0.00 H new ATOM 0 HG22 VAL A 40 -0.417 2.517 -2.147 1.00 0.00 H new ATOM 0 HG23 VAL A 40 0.864 2.061 -0.999 1.00 0.00 H new ATOM 623 N GLN A 41 1.286 4.172 1.483 1.00 0.00 N ATOM 624 CA GLN A 41 2.658 4.216 1.798 1.00 0.00 C ATOM 625 C GLN A 41 2.953 3.032 2.627 1.00 0.00 C ATOM 626 O GLN A 41 2.237 2.756 3.594 1.00 0.00 O ATOM 627 CB GLN A 41 2.970 5.469 2.575 1.00 0.00 C ATOM 628 CG GLN A 41 4.436 5.716 2.874 1.00 0.00 C ATOM 629 CD GLN A 41 4.633 6.812 3.894 1.00 0.00 C ATOM 630 OE1 GLN A 41 3.823 6.981 4.809 1.00 0.00 O ATOM 631 NE2 GLN A 41 5.677 7.579 3.742 1.00 0.00 N ATOM 0 H GLN A 41 0.673 4.039 2.287 1.00 0.00 H new ATOM 0 HA GLN A 41 3.261 4.219 0.890 1.00 0.00 H new ATOM 0 HB2 GLN A 41 2.584 6.323 2.019 1.00 0.00 H new ATOM 0 HB3 GLN A 41 2.428 5.432 3.520 1.00 0.00 H new ATOM 0 HG2 GLN A 41 4.891 4.795 3.240 1.00 0.00 H new ATOM 0 HG3 GLN A 41 4.953 5.982 1.952 1.00 0.00 H new ATOM 0 HE21 GLN A 41 6.326 7.410 2.974 1.00 0.00 H new ATOM 0 HE22 GLN A 41 5.844 8.348 4.391 1.00 0.00 H new ATOM 640 N SER A 42 3.945 2.310 2.250 1.00 0.00 N ATOM 641 CA SER A 42 4.354 1.197 3.014 1.00 0.00 C ATOM 642 C SER A 42 5.085 1.725 4.245 1.00 0.00 C ATOM 643 O SER A 42 5.503 2.898 4.274 1.00 0.00 O ATOM 644 CB SER A 42 5.246 0.284 2.179 1.00 0.00 C ATOM 645 OG SER A 42 5.522 -0.929 2.845 1.00 0.00 O ATOM 0 H SER A 42 4.492 2.476 1.405 1.00 0.00 H new ATOM 0 HA SER A 42 3.496 0.602 3.327 1.00 0.00 H new ATOM 0 HB2 SER A 42 4.760 0.073 1.226 1.00 0.00 H new ATOM 0 HB3 SER A 42 6.181 0.796 1.954 1.00 0.00 H new ATOM 0 HG SER A 42 4.756 -1.177 3.404 1.00 0.00 H new ATOM 651 N ASP A 43 5.279 0.878 5.216 1.00 0.00 N ATOM 652 CA ASP A 43 5.891 1.271 6.494 1.00 0.00 C ATOM 653 C ASP A 43 7.335 1.696 6.339 1.00 0.00 C ATOM 654 O ASP A 43 7.891 2.364 7.197 1.00 0.00 O ATOM 655 CB ASP A 43 5.733 0.190 7.566 1.00 0.00 C ATOM 656 CG ASP A 43 4.297 0.040 8.032 1.00 0.00 C ATOM 657 OD1 ASP A 43 3.873 0.776 8.969 1.00 0.00 O ATOM 658 OD2 ASP A 43 3.569 -0.808 7.495 1.00 0.00 O ATOM 0 H ASP A 43 5.024 -0.108 5.163 1.00 0.00 H new ATOM 0 HA ASP A 43 5.341 2.147 6.837 1.00 0.00 H new ATOM 0 HB2 ASP A 43 6.085 -0.763 7.171 1.00 0.00 H new ATOM 0 HB3 ASP A 43 6.365 0.434 8.420 1.00 0.00 H new ATOM 663 N GLN A 44 7.905 1.352 5.201 1.00 0.00 N ATOM 664 CA GLN A 44 9.260 1.730 4.830 1.00 0.00 C ATOM 665 C GLN A 44 9.309 3.189 4.328 1.00 0.00 C ATOM 666 O GLN A 44 10.354 3.691 3.967 1.00 0.00 O ATOM 667 CB GLN A 44 9.796 0.765 3.759 1.00 0.00 C ATOM 668 CG GLN A 44 8.839 0.550 2.589 1.00 0.00 C ATOM 669 CD GLN A 44 9.394 -0.346 1.497 1.00 0.00 C ATOM 670 OE1 GLN A 44 10.582 -0.376 1.243 1.00 0.00 O ATOM 671 NE2 GLN A 44 8.526 -1.100 0.857 1.00 0.00 N ATOM 0 H GLN A 44 7.432 0.791 4.492 1.00 0.00 H new ATOM 0 HA GLN A 44 9.895 1.663 5.713 1.00 0.00 H new ATOM 0 HB2 GLN A 44 10.741 1.150 3.377 1.00 0.00 H new ATOM 0 HB3 GLN A 44 10.008 -0.198 4.224 1.00 0.00 H new ATOM 0 HG2 GLN A 44 7.912 0.116 2.965 1.00 0.00 H new ATOM 0 HG3 GLN A 44 8.585 1.518 2.157 1.00 0.00 H new ATOM 0 HE21 GLN A 44 7.535 -1.051 1.094 1.00 0.00 H new ATOM 0 HE22 GLN A 44 8.844 -1.734 0.124 1.00 0.00 H new ATOM 680 N GLY A 45 8.149 3.837 4.271 1.00 0.00 N ATOM 681 CA GLY A 45 8.085 5.237 3.878 1.00 0.00 C ATOM 682 C GLY A 45 7.857 5.419 2.397 1.00 0.00 C ATOM 683 O GLY A 45 7.703 6.536 1.909 1.00 0.00 O ATOM 0 H GLY A 45 7.246 3.416 4.491 1.00 0.00 H new ATOM 0 HA2 GLY A 45 7.282 5.728 4.428 1.00 0.00 H new ATOM 0 HA3 GLY A 45 9.014 5.732 4.162 1.00 0.00 H new ATOM 687 N ARG A 46 7.785 4.326 1.712 1.00 0.00 N ATOM 688 CA ARG A 46 7.623 4.291 0.277 1.00 0.00 C ATOM 689 C ARG A 46 6.143 4.477 -0.106 1.00 0.00 C ATOM 690 O ARG A 46 5.322 3.576 0.116 1.00 0.00 O ATOM 691 CB ARG A 46 8.195 2.949 -0.202 1.00 0.00 C ATOM 692 CG ARG A 46 8.185 2.653 -1.691 1.00 0.00 C ATOM 693 CD ARG A 46 9.012 1.391 -1.930 1.00 0.00 C ATOM 694 NE ARG A 46 8.974 0.900 -3.303 1.00 0.00 N ATOM 695 CZ ARG A 46 10.031 0.694 -4.096 1.00 0.00 C ATOM 696 NH1 ARG A 46 11.246 1.150 -3.747 1.00 0.00 N ATOM 697 NH2 ARG A 46 9.876 0.031 -5.230 1.00 0.00 N ATOM 0 H ARG A 46 7.838 3.400 2.138 1.00 0.00 H new ATOM 0 HA ARG A 46 8.157 5.108 -0.208 1.00 0.00 H new ATOM 0 HB2 ARG A 46 9.227 2.885 0.143 1.00 0.00 H new ATOM 0 HB3 ARG A 46 7.642 2.154 0.299 1.00 0.00 H new ATOM 0 HG2 ARG A 46 7.164 2.511 -2.044 1.00 0.00 H new ATOM 0 HG3 ARG A 46 8.601 3.492 -2.249 1.00 0.00 H new ATOM 0 HD2 ARG A 46 10.048 1.592 -1.657 1.00 0.00 H new ATOM 0 HD3 ARG A 46 8.654 0.605 -1.265 1.00 0.00 H new ATOM 0 HE ARG A 46 8.055 0.694 -3.695 1.00 0.00 H new ATOM 0 HH11 ARG A 46 11.368 1.658 -2.871 1.00 0.00 H new ATOM 0 HH12 ARG A 46 12.046 0.988 -4.358 1.00 0.00 H new ATOM 0 HH21 ARG A 46 8.955 -0.319 -5.494 1.00 0.00 H new ATOM 0 HH22 ARG A 46 10.677 -0.130 -5.840 1.00 0.00 H new ATOM 711 N GLU A 47 5.813 5.682 -0.578 1.00 0.00 N ATOM 712 CA GLU A 47 4.468 6.021 -1.057 1.00 0.00 C ATOM 713 C GLU A 47 4.376 5.640 -2.518 1.00 0.00 C ATOM 714 O GLU A 47 5.323 5.868 -3.279 1.00 0.00 O ATOM 715 CB GLU A 47 4.196 7.546 -0.950 1.00 0.00 C ATOM 716 CG GLU A 47 2.774 7.916 -1.379 1.00 0.00 C ATOM 717 CD GLU A 47 2.485 9.408 -1.514 1.00 0.00 C ATOM 718 OE1 GLU A 47 1.988 9.839 -2.613 1.00 0.00 O ATOM 719 OE2 GLU A 47 2.650 10.158 -0.538 1.00 0.00 O ATOM 0 H GLU A 47 6.475 6.456 -0.639 1.00 0.00 H new ATOM 0 HA GLU A 47 3.740 5.487 -0.447 1.00 0.00 H new ATOM 0 HB2 GLU A 47 4.359 7.870 0.078 1.00 0.00 H new ATOM 0 HB3 GLU A 47 4.912 8.085 -1.571 1.00 0.00 H new ATOM 0 HG2 GLU A 47 2.568 7.438 -2.337 1.00 0.00 H new ATOM 0 HG3 GLU A 47 2.076 7.494 -0.656 1.00 0.00 H new ATOM 726 N PHE A 48 3.276 5.058 -2.904 1.00 0.00 N ATOM 727 CA PHE A 48 3.045 4.696 -4.274 1.00 0.00 C ATOM 728 C PHE A 48 1.557 4.577 -4.547 1.00 0.00 C ATOM 729 O PHE A 48 0.722 4.837 -3.659 1.00 0.00 O ATOM 730 CB PHE A 48 3.815 3.409 -4.676 1.00 0.00 C ATOM 731 CG PHE A 48 3.536 2.190 -3.833 1.00 0.00 C ATOM 732 CD1 PHE A 48 4.266 1.948 -2.681 1.00 0.00 C ATOM 733 CD2 PHE A 48 2.567 1.276 -4.210 1.00 0.00 C ATOM 734 CE1 PHE A 48 4.035 0.826 -1.921 1.00 0.00 C ATOM 735 CE2 PHE A 48 2.329 0.153 -3.452 1.00 0.00 C ATOM 736 CZ PHE A 48 3.066 -0.072 -2.307 1.00 0.00 C ATOM 0 H PHE A 48 2.510 4.820 -2.274 1.00 0.00 H new ATOM 0 HA PHE A 48 3.440 5.495 -4.902 1.00 0.00 H new ATOM 0 HB2 PHE A 48 3.576 3.173 -5.713 1.00 0.00 H new ATOM 0 HB3 PHE A 48 4.884 3.619 -4.635 1.00 0.00 H new ATOM 0 HD1 PHE A 48 5.027 2.651 -2.376 1.00 0.00 H new ATOM 0 HD2 PHE A 48 1.992 1.446 -5.108 1.00 0.00 H new ATOM 0 HE1 PHE A 48 4.611 0.650 -1.025 1.00 0.00 H new ATOM 0 HE2 PHE A 48 1.567 -0.551 -3.752 1.00 0.00 H new ATOM 0 HZ PHE A 48 2.882 -0.955 -1.713 1.00 0.00 H new ATOM 746 N THR A 49 1.227 4.211 -5.754 1.00 0.00 N ATOM 747 CA THR A 49 -0.137 4.067 -6.159 1.00 0.00 C ATOM 748 C THR A 49 -0.488 2.599 -6.165 1.00 0.00 C ATOM 749 O THR A 49 0.143 1.808 -6.872 1.00 0.00 O ATOM 750 CB THR A 49 -0.347 4.630 -7.575 1.00 0.00 C ATOM 751 OG1 THR A 49 0.159 5.979 -7.647 1.00 0.00 O ATOM 752 CG2 THR A 49 -1.824 4.616 -7.954 1.00 0.00 C ATOM 0 H THR A 49 1.905 4.003 -6.488 1.00 0.00 H new ATOM 0 HA THR A 49 -0.771 4.616 -5.463 1.00 0.00 H new ATOM 0 HB THR A 49 0.196 3.998 -8.277 1.00 0.00 H new ATOM 0 HG1 THR A 49 0.172 6.274 -8.581 1.00 0.00 H new ATOM 0 HG21 THR A 49 -1.945 5.019 -8.959 1.00 0.00 H new ATOM 0 HG22 THR A 49 -2.197 3.592 -7.926 1.00 0.00 H new ATOM 0 HG23 THR A 49 -2.387 5.227 -7.248 1.00 0.00 H new ATOM 760 N ALA A 50 -1.437 2.232 -5.372 1.00 0.00 N ATOM 761 CA ALA A 50 -1.888 0.865 -5.353 1.00 0.00 C ATOM 762 C ALA A 50 -3.084 0.713 -6.289 1.00 0.00 C ATOM 763 O ALA A 50 -3.617 1.701 -6.790 1.00 0.00 O ATOM 764 CB ALA A 50 -2.252 0.449 -3.939 1.00 0.00 C ATOM 0 H ALA A 50 -1.922 2.853 -4.724 1.00 0.00 H new ATOM 0 HA ALA A 50 -1.085 0.214 -5.698 1.00 0.00 H new ATOM 0 HB1 ALA A 50 -2.591 -0.587 -3.940 1.00 0.00 H new ATOM 0 HB2 ALA A 50 -1.377 0.544 -3.295 1.00 0.00 H new ATOM 0 HB3 ALA A 50 -3.049 1.091 -3.565 1.00 0.00 H new ATOM 770 N ARG A 51 -3.480 -0.510 -6.539 1.00 0.00 N ATOM 771 CA ARG A 51 -4.636 -0.810 -7.363 1.00 0.00 C ATOM 772 C ARG A 51 -5.363 -1.953 -6.710 1.00 0.00 C ATOM 773 O ARG A 51 -4.742 -2.717 -5.990 1.00 0.00 O ATOM 774 CB ARG A 51 -4.228 -1.222 -8.787 1.00 0.00 C ATOM 775 CG ARG A 51 -3.562 -0.130 -9.618 1.00 0.00 C ATOM 776 CD ARG A 51 -3.141 -0.674 -10.974 1.00 0.00 C ATOM 777 NE ARG A 51 -2.179 -1.778 -10.826 1.00 0.00 N ATOM 778 CZ ARG A 51 -1.989 -2.788 -11.682 1.00 0.00 C ATOM 779 NH1 ARG A 51 -2.730 -2.885 -12.794 1.00 0.00 N ATOM 780 NH2 ARG A 51 -1.058 -3.709 -11.410 1.00 0.00 N ATOM 0 H ARG A 51 -3.008 -1.337 -6.175 1.00 0.00 H new ATOM 0 HA ARG A 51 -5.262 0.079 -7.445 1.00 0.00 H new ATOM 0 HB2 ARG A 51 -3.547 -2.071 -8.721 1.00 0.00 H new ATOM 0 HB3 ARG A 51 -5.116 -1.567 -9.316 1.00 0.00 H new ATOM 0 HG2 ARG A 51 -4.251 0.704 -9.752 1.00 0.00 H new ATOM 0 HG3 ARG A 51 -2.691 0.258 -9.089 1.00 0.00 H new ATOM 0 HD2 ARG A 51 -4.019 -1.023 -11.518 1.00 0.00 H new ATOM 0 HD3 ARG A 51 -2.695 0.124 -11.567 1.00 0.00 H new ATOM 0 HE ARG A 51 -1.599 -1.772 -9.987 1.00 0.00 H new ATOM 0 HH11 ARG A 51 -3.445 -2.186 -12.993 1.00 0.00 H new ATOM 0 HH12 ARG A 51 -2.579 -3.658 -13.442 1.00 0.00 H new ATOM 0 HH21 ARG A 51 -0.502 -3.636 -10.558 1.00 0.00 H new ATOM 0 HH22 ARG A 51 -0.904 -4.484 -12.055 1.00 0.00 H new ATOM 794 N GLY A 52 -6.642 -2.122 -7.012 1.00 0.00 N ATOM 795 CA GLY A 52 -7.469 -3.169 -6.368 1.00 0.00 C ATOM 796 C GLY A 52 -7.056 -4.602 -6.706 1.00 0.00 C ATOM 797 O GLY A 52 -7.665 -5.550 -6.249 1.00 0.00 O ATOM 0 H GLY A 52 -7.142 -1.555 -7.697 1.00 0.00 H new ATOM 0 HA2 GLY A 52 -7.423 -3.037 -5.287 1.00 0.00 H new ATOM 0 HA3 GLY A 52 -8.509 -3.025 -6.663 1.00 0.00 H new ATOM 801 N ASN A 53 -6.030 -4.744 -7.503 1.00 0.00 N ATOM 802 CA ASN A 53 -5.512 -6.054 -7.874 1.00 0.00 C ATOM 803 C ASN A 53 -4.281 -6.349 -7.051 1.00 0.00 C ATOM 804 O ASN A 53 -3.746 -7.441 -7.071 1.00 0.00 O ATOM 805 CB ASN A 53 -5.130 -6.079 -9.361 1.00 0.00 C ATOM 806 CG ASN A 53 -6.284 -5.780 -10.300 1.00 0.00 C ATOM 807 OD1 ASN A 53 -6.086 -5.205 -11.363 1.00 0.00 O ATOM 808 ND2 ASN A 53 -7.485 -6.148 -9.918 1.00 0.00 N ATOM 0 H ASN A 53 -5.524 -3.962 -7.918 1.00 0.00 H new ATOM 0 HA ASN A 53 -6.283 -6.802 -7.690 1.00 0.00 H new ATOM 0 HB2 ASN A 53 -4.337 -5.352 -9.534 1.00 0.00 H new ATOM 0 HB3 ASN A 53 -4.722 -7.060 -9.604 1.00 0.00 H new ATOM 0 HD21 ASN A 53 -8.291 -5.957 -10.514 1.00 0.00 H new ATOM 0 HD22 ASN A 53 -7.612 -6.625 -9.026 1.00 0.00 H new ATOM 815 N GLN A 54 -3.840 -5.343 -6.333 1.00 0.00 N ATOM 816 CA GLN A 54 -2.635 -5.405 -5.557 1.00 0.00 C ATOM 817 C GLN A 54 -2.929 -5.178 -4.099 1.00 0.00 C ATOM 818 O GLN A 54 -2.013 -5.084 -3.300 1.00 0.00 O ATOM 819 CB GLN A 54 -1.693 -4.307 -6.028 1.00 0.00 C ATOM 820 CG GLN A 54 -1.101 -4.516 -7.400 1.00 0.00 C ATOM 821 CD GLN A 54 -0.337 -3.302 -7.875 1.00 0.00 C ATOM 822 OE1 GLN A 54 -0.889 -2.435 -8.546 1.00 0.00 O ATOM 823 NE2 GLN A 54 0.896 -3.199 -7.497 1.00 0.00 N ATOM 0 H GLN A 54 -4.321 -4.445 -6.274 1.00 0.00 H new ATOM 0 HA GLN A 54 -2.187 -6.390 -5.685 1.00 0.00 H new ATOM 0 HB2 GLN A 54 -2.233 -3.360 -6.023 1.00 0.00 H new ATOM 0 HB3 GLN A 54 -0.879 -4.214 -5.309 1.00 0.00 H new ATOM 0 HG2 GLN A 54 -0.435 -5.379 -7.381 1.00 0.00 H new ATOM 0 HG3 GLN A 54 -1.898 -4.744 -8.108 1.00 0.00 H new ATOM 0 HE21 GLN A 54 1.322 -3.940 -6.940 1.00 0.00 H new ATOM 0 HE22 GLN A 54 1.442 -2.377 -7.756 1.00 0.00 H new ATOM 832 N VAL A 55 -4.196 -5.099 -3.743 1.00 0.00 N ATOM 833 CA VAL A 55 -4.549 -4.759 -2.374 1.00 0.00 C ATOM 834 C VAL A 55 -5.479 -5.763 -1.829 1.00 0.00 C ATOM 835 O VAL A 55 -6.429 -6.191 -2.491 1.00 0.00 O ATOM 836 CB VAL A 55 -5.224 -3.354 -2.216 1.00 0.00 C ATOM 837 CG1 VAL A 55 -5.412 -2.971 -0.754 1.00 0.00 C ATOM 838 CG2 VAL A 55 -4.498 -2.259 -2.968 1.00 0.00 C ATOM 0 H VAL A 55 -4.986 -5.262 -4.367 1.00 0.00 H new ATOM 0 HA VAL A 55 -3.604 -4.738 -1.831 1.00 0.00 H new ATOM 0 HB VAL A 55 -6.210 -3.452 -2.670 1.00 0.00 H new ATOM 0 HG11 VAL A 55 -5.883 -1.990 -0.693 1.00 0.00 H new ATOM 0 HG12 VAL A 55 -6.046 -3.709 -0.263 1.00 0.00 H new ATOM 0 HG13 VAL A 55 -4.442 -2.939 -0.259 1.00 0.00 H new ATOM 0 HG21 VAL A 55 -5.015 -1.311 -2.819 1.00 0.00 H new ATOM 0 HG22 VAL A 55 -3.476 -2.178 -2.596 1.00 0.00 H new ATOM 0 HG23 VAL A 55 -4.479 -2.498 -4.031 1.00 0.00 H new ATOM 848 N ARG A 56 -5.191 -6.151 -0.645 1.00 0.00 N ATOM 849 CA ARG A 56 -5.980 -7.013 0.095 1.00 0.00 C ATOM 850 C ARG A 56 -6.005 -6.465 1.483 1.00 0.00 C ATOM 851 O ARG A 56 -4.982 -5.988 1.980 1.00 0.00 O ATOM 852 CB ARG A 56 -5.346 -8.360 0.095 1.00 0.00 C ATOM 853 CG ARG A 56 -5.235 -8.979 -1.272 1.00 0.00 C ATOM 854 CD ARG A 56 -6.560 -9.464 -1.826 1.00 0.00 C ATOM 855 NE ARG A 56 -7.229 -10.491 -0.993 1.00 0.00 N ATOM 856 CZ ARG A 56 -8.474 -10.942 -1.232 1.00 0.00 C ATOM 857 NH1 ARG A 56 -9.185 -10.438 -2.253 1.00 0.00 N ATOM 858 NH2 ARG A 56 -9.004 -11.877 -0.467 1.00 0.00 N ATOM 0 H ARG A 56 -4.349 -5.850 -0.154 1.00 0.00 H new ATOM 0 HA ARG A 56 -6.988 -7.101 -0.311 1.00 0.00 H new ATOM 0 HB2 ARG A 56 -4.350 -8.282 0.530 1.00 0.00 H new ATOM 0 HB3 ARG A 56 -5.924 -9.023 0.738 1.00 0.00 H new ATOM 0 HG2 ARG A 56 -4.809 -8.248 -1.959 1.00 0.00 H new ATOM 0 HG3 ARG A 56 -4.540 -9.818 -1.227 1.00 0.00 H new ATOM 0 HD2 ARG A 56 -7.229 -8.610 -1.937 1.00 0.00 H new ATOM 0 HD3 ARG A 56 -6.396 -9.872 -2.823 1.00 0.00 H new ATOM 0 HE ARG A 56 -6.719 -10.876 -0.198 1.00 0.00 H new ATOM 0 HH11 ARG A 56 -8.781 -9.714 -2.847 1.00 0.00 H new ATOM 0 HH12 ARG A 56 -10.129 -10.779 -2.435 1.00 0.00 H new ATOM 0 HH21 ARG A 56 -8.469 -12.263 0.311 1.00 0.00 H new ATOM 0 HH22 ARG A 56 -9.948 -12.214 -0.654 1.00 0.00 H new ATOM 872 N LEU A 57 -7.142 -6.466 2.070 1.00 0.00 N ATOM 873 CA LEU A 57 -7.298 -6.018 3.441 1.00 0.00 C ATOM 874 C LEU A 57 -6.701 -7.046 4.415 1.00 0.00 C ATOM 875 O LEU A 57 -6.056 -8.006 3.989 1.00 0.00 O ATOM 876 CB LEU A 57 -8.780 -5.752 3.787 1.00 0.00 C ATOM 877 CG LEU A 57 -9.703 -6.978 3.867 1.00 0.00 C ATOM 878 CD1 LEU A 57 -11.003 -6.612 4.564 1.00 0.00 C ATOM 879 CD2 LEU A 57 -10.014 -7.567 2.491 1.00 0.00 C ATOM 0 H LEU A 57 -8.008 -6.775 1.629 1.00 0.00 H new ATOM 0 HA LEU A 57 -6.757 -5.077 3.543 1.00 0.00 H new ATOM 0 HB2 LEU A 57 -8.818 -5.235 4.746 1.00 0.00 H new ATOM 0 HB3 LEU A 57 -9.186 -5.069 3.041 1.00 0.00 H new ATOM 0 HG LEU A 57 -9.171 -7.737 4.440 1.00 0.00 H new ATOM 0 HD11 LEU A 57 -11.648 -7.489 4.614 1.00 0.00 H new ATOM 0 HD12 LEU A 57 -10.788 -6.261 5.573 1.00 0.00 H new ATOM 0 HD13 LEU A 57 -11.506 -5.823 4.005 1.00 0.00 H new ATOM 0 HD21 LEU A 57 -10.669 -8.431 2.605 1.00 0.00 H new ATOM 0 HD22 LEU A 57 -10.508 -6.815 1.876 1.00 0.00 H new ATOM 0 HD23 LEU A 57 -9.086 -7.876 2.010 1.00 0.00 H new ATOM 891 N ILE A 58 -6.869 -6.784 5.703 1.00 0.00 N ATOM 892 CA ILE A 58 -6.482 -7.682 6.777 1.00 0.00 C ATOM 893 C ILE A 58 -7.016 -9.091 6.535 1.00 0.00 C ATOM 894 O ILE A 58 -8.219 -9.359 6.599 1.00 0.00 O ATOM 895 CB ILE A 58 -6.906 -7.145 8.180 1.00 0.00 C ATOM 896 CG1 ILE A 58 -8.410 -6.779 8.219 1.00 0.00 C ATOM 897 CG2 ILE A 58 -6.040 -5.945 8.566 1.00 0.00 C ATOM 898 CD1 ILE A 58 -8.909 -6.319 9.578 1.00 0.00 C ATOM 0 H ILE A 58 -7.290 -5.917 6.037 1.00 0.00 H new ATOM 0 HA ILE A 58 -5.393 -7.730 6.776 1.00 0.00 H new ATOM 0 HB ILE A 58 -6.749 -7.940 8.909 1.00 0.00 H new ATOM 0 HG12 ILE A 58 -8.599 -5.991 7.490 1.00 0.00 H new ATOM 0 HG13 ILE A 58 -8.991 -7.647 7.907 1.00 0.00 H new ATOM 0 HG21 ILE A 58 -6.344 -5.578 9.546 1.00 0.00 H new ATOM 0 HG22 ILE A 58 -4.993 -6.248 8.600 1.00 0.00 H new ATOM 0 HG23 ILE A 58 -6.165 -5.153 7.827 1.00 0.00 H new ATOM 0 HD11 ILE A 58 -9.971 -6.083 9.515 1.00 0.00 H new ATOM 0 HD12 ILE A 58 -8.756 -7.113 10.309 1.00 0.00 H new ATOM 0 HD13 ILE A 58 -8.358 -5.431 9.886 1.00 0.00 H new ATOM 910 N GLU A 59 -6.103 -9.920 6.200 1.00 0.00 N ATOM 911 CA GLU A 59 -6.311 -11.278 5.813 1.00 0.00 C ATOM 912 C GLU A 59 -4.994 -11.988 6.069 1.00 0.00 C ATOM 913 O GLU A 59 -4.937 -12.858 6.917 1.00 0.00 O ATOM 914 CB GLU A 59 -6.670 -11.288 4.312 1.00 0.00 C ATOM 915 CG GLU A 59 -6.692 -12.638 3.617 1.00 0.00 C ATOM 916 CD GLU A 59 -6.842 -12.469 2.120 1.00 0.00 C ATOM 917 OE1 GLU A 59 -5.924 -11.859 1.474 1.00 0.00 O ATOM 918 OE2 GLU A 59 -7.839 -12.912 1.558 1.00 0.00 O ATOM 919 OXT GLU A 59 -3.974 -11.554 5.456 1.00 0.00 O ATOM 0 H GLU A 59 -5.117 -9.657 6.185 1.00 0.00 H new ATOM 0 HA GLU A 59 -7.115 -11.769 6.361 1.00 0.00 H new ATOM 0 HB2 GLU A 59 -7.653 -10.831 4.196 1.00 0.00 H new ATOM 0 HB3 GLU A 59 -5.958 -10.649 3.789 1.00 0.00 H new ATOM 0 HG2 GLU A 59 -5.772 -13.180 3.836 1.00 0.00 H new ATOM 0 HG3 GLU A 59 -7.515 -13.238 4.004 1.00 0.00 H new TER 926 GLU A 59