USER MOD reduce.3.24.130724 H: found=0, std=0, add=809, rem=0, adj=20 USER MOD reduce.3.24.130724 removed 806 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 86 THR OG1 : rot 180:sc= -2.38 USER MOD Set 1.2: A 89 GLN : amide:sc= -0.0239 K(o=-2.4,f=-4.8!) USER MOD Set 2.1: A 62 SER OG : rot 97:sc= 1.14 USER MOD Set 2.2: A 69 THR OG1 : rot 151:sc= 0.777 USER MOD Set 3.1: A 52 SER OG : rot 111:sc= 0.735 USER MOD Set 3.2: A 56 GLN : amide:sc= 0.226 K(o=0.96,f=-1.8!) USER MOD Single : A 1 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 1 MET N :NH3+ -119:sc= 0.0748 (180deg=-0.0231) USER MOD Single : A 4 ASN : amide:sc= 0.00872 X(o=0.0087,f=0) USER MOD Single : A 7 SER OG : rot 180:sc= 0 USER MOD Single : A 8 SER OG : rot 180:sc= 0 USER MOD Single : A 14 SER OG : rot 180:sc= 0 USER MOD Single : A 21 GLN : amide:sc= -0.0676 K(o=-0.068,f=-2.3!) USER MOD Single : A 23 SER OG : rot 40:sc= 0.871 USER MOD Single : A 31 LYS NZ :NH3+ -137:sc= 0 (180deg=-0.0789) USER MOD Single : A 34 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 36 THR OG1 : rot 100:sc= 0.981 USER MOD Single : A 38 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 39 THR OG1 : rot 169:sc= 0.6 USER MOD Single : A 41 LYS NZ :NH3+ -121:sc= 0 (180deg=-0.211) USER MOD Single : A 43 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 51 ASN :FLIP amide:sc= -0.716! F(o=-2.4,f=-0.72!) USER MOD Single : A 53 SER OG : rot 180:sc= 0 USER MOD Single : A 55 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 58 LYS NZ :NH3+ -157:sc= 1.25 (180deg=1.04) USER MOD Single : A 63 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 66 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 67 SER OG : rot 140:sc= 0.202 USER MOD Single : A 68 GLN : amide:sc=-0.00696 X(o=-0.007,f=-0.0041) USER MOD Single : A 71 GLN : amide:sc= -0.0212 K(o=-0.021,f=-0.9) USER MOD Single : A 79 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 82 LYS NZ :NH3+ 149:sc= -0.175 (180deg=-0.49) USER MOD Single : A 84 GLN : amide:sc= -0.293 K(o=-0.29,f=-3.4!) USER MOD Single : A 90 HIS :FLIP no HD1:sc= -1.98 F(o=-2.6,f=-2) USER MOD Single : A 93 HIS : no HD1:sc= -0.467 X(o=-0.47,f=-0.013) USER MOD Single : A 97 THR OG1 : rot 180:sc= 0 USER MOD Single : A 99 HIS : no HD1:sc= 0 X(o=0,f=0) USER MOD Single : A 103 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD ----------------------------------------------------------------- ATOM 1 N MET A 1 -11.128 -22.586 -39.269 1.00 0.00 N ATOM 2 CA MET A 1 -11.873 -21.405 -38.745 1.00 0.00 C ATOM 3 C MET A 1 -12.461 -21.721 -37.366 1.00 0.00 C ATOM 4 O MET A 1 -12.607 -22.868 -36.992 1.00 0.00 O ATOM 5 CB MET A 1 -12.990 -21.159 -39.760 1.00 0.00 C ATOM 6 CG MET A 1 -12.407 -20.492 -41.008 1.00 0.00 C ATOM 7 SD MET A 1 -13.666 -19.441 -41.775 1.00 0.00 S ATOM 8 CE MET A 1 -13.318 -17.941 -40.825 1.00 0.00 C ATOM 0 H1 MET A 1 -10.130 -22.331 -39.414 1.00 0.00 H new ATOM 0 H2 MET A 1 -11.190 -23.367 -38.585 1.00 0.00 H new ATOM 0 H3 MET A 1 -11.544 -22.885 -40.174 1.00 0.00 H new ATOM 0 HA MET A 1 -11.232 -20.532 -38.625 1.00 0.00 H new ATOM 0 HB2 MET A 1 -13.467 -22.102 -40.028 1.00 0.00 H new ATOM 0 HB3 MET A 1 -13.761 -20.525 -39.322 1.00 0.00 H new ATOM 0 HG2 MET A 1 -11.534 -19.896 -40.741 1.00 0.00 H new ATOM 0 HG3 MET A 1 -12.071 -21.250 -41.715 1.00 0.00 H new ATOM 0 HE1 MET A 1 -13.993 -17.146 -41.141 1.00 0.00 H new ATOM 0 HE2 MET A 1 -13.464 -18.141 -39.763 1.00 0.00 H new ATOM 0 HE3 MET A 1 -12.287 -17.632 -40.998 1.00 0.00 H new ATOM 20 N ALA A 2 -12.799 -20.710 -36.610 1.00 0.00 N ATOM 21 CA ALA A 2 -13.377 -20.947 -35.256 1.00 0.00 C ATOM 22 C ALA A 2 -14.367 -19.835 -34.900 1.00 0.00 C ATOM 23 O ALA A 2 -14.682 -18.988 -35.712 1.00 0.00 O ATOM 24 CB ALA A 2 -12.180 -20.926 -34.304 1.00 0.00 C ATOM 0 H ALA A 2 -12.699 -19.729 -36.873 1.00 0.00 H new ATOM 0 HA ALA A 2 -13.925 -21.888 -35.200 1.00 0.00 H new ATOM 0 HB1 ALA A 2 -12.524 -21.094 -33.283 1.00 0.00 H new ATOM 0 HB2 ALA A 2 -11.478 -21.712 -34.584 1.00 0.00 H new ATOM 0 HB3 ALA A 2 -11.684 -19.958 -34.365 1.00 0.00 H new ATOM 30 N GLU A 3 -14.861 -19.833 -33.688 1.00 0.00 N ATOM 31 CA GLU A 3 -15.834 -18.777 -33.269 1.00 0.00 C ATOM 32 C GLU A 3 -16.998 -18.698 -34.263 1.00 0.00 C ATOM 33 O GLU A 3 -17.300 -17.648 -34.797 1.00 0.00 O ATOM 34 CB GLU A 3 -15.035 -17.472 -33.271 1.00 0.00 C ATOM 35 CG GLU A 3 -15.467 -16.606 -32.085 1.00 0.00 C ATOM 36 CD GLU A 3 -14.684 -17.020 -30.839 1.00 0.00 C ATOM 37 OE1 GLU A 3 -14.858 -18.146 -30.400 1.00 0.00 O ATOM 38 OE2 GLU A 3 -13.923 -16.206 -30.343 1.00 0.00 O ATOM 0 H GLU A 3 -14.632 -20.519 -32.968 1.00 0.00 H new ATOM 0 HA GLU A 3 -16.268 -18.986 -32.291 1.00 0.00 H new ATOM 0 HB2 GLU A 3 -13.968 -17.686 -33.209 1.00 0.00 H new ATOM 0 HB3 GLU A 3 -15.198 -16.935 -34.205 1.00 0.00 H new ATOM 0 HG2 GLU A 3 -15.289 -15.553 -32.306 1.00 0.00 H new ATOM 0 HG3 GLU A 3 -16.537 -16.719 -31.909 1.00 0.00 H new ATOM 45 N ASN A 4 -17.653 -19.801 -34.512 1.00 0.00 N ATOM 46 CA ASN A 4 -18.797 -19.792 -35.471 1.00 0.00 C ATOM 47 C ASN A 4 -20.082 -20.231 -34.763 1.00 0.00 C ATOM 48 O ASN A 4 -20.760 -21.142 -35.197 1.00 0.00 O ATOM 49 CB ASN A 4 -18.411 -20.796 -36.557 1.00 0.00 C ATOM 50 CG ASN A 4 -17.799 -20.054 -37.747 1.00 0.00 C ATOM 51 OD1 ASN A 4 -18.508 -19.546 -38.592 1.00 0.00 O ATOM 52 ND2 ASN A 4 -16.500 -19.969 -37.847 1.00 0.00 N ATOM 0 H ASN A 4 -17.446 -20.708 -34.093 1.00 0.00 H new ATOM 0 HA ASN A 4 -18.985 -18.800 -35.883 1.00 0.00 H new ATOM 0 HB2 ASN A 4 -17.698 -21.520 -36.161 1.00 0.00 H new ATOM 0 HB3 ASN A 4 -19.289 -21.356 -36.877 1.00 0.00 H new ATOM 0 HD21 ASN A 4 -16.080 -19.476 -38.635 1.00 0.00 H new ATOM 0 HD22 ASN A 4 -15.905 -20.396 -37.137 1.00 0.00 H new ATOM 59 N GLY A 5 -20.420 -19.589 -33.677 1.00 0.00 N ATOM 60 CA GLY A 5 -21.659 -19.967 -32.938 1.00 0.00 C ATOM 61 C GLY A 5 -22.157 -18.770 -32.126 1.00 0.00 C ATOM 62 O GLY A 5 -21.682 -18.506 -31.039 1.00 0.00 O ATOM 0 H GLY A 5 -19.891 -18.818 -33.269 1.00 0.00 H new ATOM 0 HA2 GLY A 5 -22.429 -20.289 -33.639 1.00 0.00 H new ATOM 0 HA3 GLY A 5 -21.457 -20.810 -32.277 1.00 0.00 H new ATOM 66 N GLU A 6 -23.111 -18.042 -32.648 1.00 0.00 N ATOM 67 CA GLU A 6 -23.646 -16.856 -31.910 1.00 0.00 C ATOM 68 C GLU A 6 -22.502 -15.926 -31.493 1.00 0.00 C ATOM 69 O GLU A 6 -22.056 -15.941 -30.363 1.00 0.00 O ATOM 70 CB GLU A 6 -24.349 -17.435 -30.679 1.00 0.00 C ATOM 71 CG GLU A 6 -25.694 -16.734 -30.478 1.00 0.00 C ATOM 72 CD GLU A 6 -26.791 -17.516 -31.203 1.00 0.00 C ATOM 73 OE1 GLU A 6 -26.997 -18.667 -30.855 1.00 0.00 O ATOM 74 OE2 GLU A 6 -27.404 -16.952 -32.093 1.00 0.00 O ATOM 0 H GLU A 6 -23.544 -18.217 -33.555 1.00 0.00 H new ATOM 0 HA GLU A 6 -24.325 -16.263 -32.523 1.00 0.00 H new ATOM 0 HB2 GLU A 6 -24.502 -18.507 -30.806 1.00 0.00 H new ATOM 0 HB3 GLU A 6 -23.724 -17.304 -29.796 1.00 0.00 H new ATOM 0 HG2 GLU A 6 -25.924 -16.664 -29.415 1.00 0.00 H new ATOM 0 HG3 GLU A 6 -25.646 -15.715 -30.861 1.00 0.00 H new ATOM 81 N SER A 7 -22.024 -15.116 -32.401 1.00 0.00 N ATOM 82 CA SER A 7 -20.909 -14.186 -32.061 1.00 0.00 C ATOM 83 C SER A 7 -21.468 -12.859 -31.541 1.00 0.00 C ATOM 84 O SER A 7 -22.640 -12.743 -31.241 1.00 0.00 O ATOM 85 CB SER A 7 -20.157 -13.972 -33.374 1.00 0.00 C ATOM 86 OG SER A 7 -19.835 -15.236 -33.940 1.00 0.00 O ATOM 0 H SER A 7 -22.358 -15.059 -33.363 1.00 0.00 H new ATOM 0 HA SER A 7 -20.261 -14.586 -31.281 1.00 0.00 H new ATOM 0 HB2 SER A 7 -20.769 -13.395 -34.067 1.00 0.00 H new ATOM 0 HB3 SER A 7 -19.248 -13.397 -33.197 1.00 0.00 H new ATOM 0 HG SER A 7 -19.354 -15.104 -34.783 1.00 0.00 H new ATOM 92 N SER A 8 -20.636 -11.857 -31.433 1.00 0.00 N ATOM 93 CA SER A 8 -21.116 -10.536 -30.932 1.00 0.00 C ATOM 94 C SER A 8 -21.109 -9.506 -32.066 1.00 0.00 C ATOM 95 O SER A 8 -21.897 -8.580 -32.081 1.00 0.00 O ATOM 96 CB SER A 8 -20.121 -10.140 -29.844 1.00 0.00 C ATOM 97 OG SER A 8 -20.430 -10.844 -28.647 1.00 0.00 O ATOM 0 H SER A 8 -19.645 -11.896 -31.670 1.00 0.00 H new ATOM 0 HA SER A 8 -22.137 -10.584 -30.553 1.00 0.00 H new ATOM 0 HB2 SER A 8 -19.105 -10.370 -30.163 1.00 0.00 H new ATOM 0 HB3 SER A 8 -20.164 -9.065 -29.669 1.00 0.00 H new ATOM 0 HG SER A 8 -19.792 -10.594 -27.946 1.00 0.00 H new ATOM 103 N GLY A 9 -20.224 -9.662 -33.014 1.00 0.00 N ATOM 104 CA GLY A 9 -20.163 -8.695 -34.148 1.00 0.00 C ATOM 105 C GLY A 9 -19.333 -7.476 -33.735 1.00 0.00 C ATOM 106 O GLY A 9 -19.876 -6.425 -33.459 1.00 0.00 O ATOM 0 H GLY A 9 -19.540 -10.418 -33.052 1.00 0.00 H new ATOM 0 HA2 GLY A 9 -19.719 -9.171 -35.022 1.00 0.00 H new ATOM 0 HA3 GLY A 9 -21.169 -8.385 -34.430 1.00 0.00 H new ATOM 110 N PRO A 10 -18.036 -7.654 -33.707 1.00 0.00 N ATOM 111 CA PRO A 10 -17.127 -6.547 -33.324 1.00 0.00 C ATOM 112 C PRO A 10 -17.050 -5.506 -34.449 1.00 0.00 C ATOM 113 O PRO A 10 -17.164 -5.844 -35.610 1.00 0.00 O ATOM 114 CB PRO A 10 -15.781 -7.239 -33.130 1.00 0.00 C ATOM 115 CG PRO A 10 -15.854 -8.474 -33.970 1.00 0.00 C ATOM 116 CD PRO A 10 -17.302 -8.887 -34.026 1.00 0.00 C ATOM 0 HA PRO A 10 -17.456 -6.010 -32.434 1.00 0.00 H new ATOM 0 HB2 PRO A 10 -14.958 -6.597 -33.444 1.00 0.00 H new ATOM 0 HB3 PRO A 10 -15.611 -7.485 -32.082 1.00 0.00 H new ATOM 0 HG2 PRO A 10 -15.469 -8.282 -34.972 1.00 0.00 H new ATOM 0 HG3 PRO A 10 -15.243 -9.268 -33.541 1.00 0.00 H new ATOM 0 HD2 PRO A 10 -17.571 -9.268 -35.011 1.00 0.00 H new ATOM 0 HD3 PRO A 10 -17.520 -9.678 -33.308 1.00 0.00 H new ATOM 124 N PRO A 11 -16.856 -4.268 -34.067 1.00 0.00 N ATOM 125 CA PRO A 11 -16.764 -3.174 -35.065 1.00 0.00 C ATOM 126 C PRO A 11 -15.427 -3.244 -35.809 1.00 0.00 C ATOM 127 O PRO A 11 -15.335 -2.903 -36.973 1.00 0.00 O ATOM 128 CB PRO A 11 -16.850 -1.907 -34.220 1.00 0.00 C ATOM 129 CG PRO A 11 -16.372 -2.313 -32.861 1.00 0.00 C ATOM 130 CD PRO A 11 -16.707 -3.773 -32.692 1.00 0.00 C ATOM 0 HA PRO A 11 -17.541 -3.223 -35.828 1.00 0.00 H new ATOM 0 HB2 PRO A 11 -16.230 -1.113 -34.635 1.00 0.00 H new ATOM 0 HB3 PRO A 11 -17.871 -1.527 -34.182 1.00 0.00 H new ATOM 0 HG2 PRO A 11 -15.298 -2.150 -32.766 1.00 0.00 H new ATOM 0 HG3 PRO A 11 -16.855 -1.715 -32.088 1.00 0.00 H new ATOM 0 HD2 PRO A 11 -15.917 -4.304 -32.160 1.00 0.00 H new ATOM 0 HD3 PRO A 11 -17.624 -3.908 -32.118 1.00 0.00 H new ATOM 138 N ARG A 12 -14.391 -3.686 -35.146 1.00 0.00 N ATOM 139 CA ARG A 12 -13.059 -3.779 -35.813 1.00 0.00 C ATOM 140 C ARG A 12 -12.206 -4.867 -35.145 1.00 0.00 C ATOM 141 O ARG A 12 -12.255 -5.037 -33.943 1.00 0.00 O ATOM 142 CB ARG A 12 -12.418 -2.399 -35.630 1.00 0.00 C ATOM 143 CG ARG A 12 -12.435 -2.007 -34.149 1.00 0.00 C ATOM 144 CD ARG A 12 -11.187 -1.180 -33.823 1.00 0.00 C ATOM 145 NE ARG A 12 -11.682 0.216 -33.663 1.00 0.00 N ATOM 146 CZ ARG A 12 -11.242 0.956 -32.683 1.00 0.00 C ATOM 147 NH1 ARG A 12 -11.147 0.457 -31.480 1.00 0.00 N ATOM 148 NH2 ARG A 12 -10.899 2.195 -32.903 1.00 0.00 N ATOM 0 H ARG A 12 -14.410 -3.987 -34.171 1.00 0.00 H new ATOM 0 HA ARG A 12 -13.145 -4.046 -36.866 1.00 0.00 H new ATOM 0 HB2 ARG A 12 -11.393 -2.413 -35.999 1.00 0.00 H new ATOM 0 HB3 ARG A 12 -12.958 -1.657 -36.218 1.00 0.00 H new ATOM 0 HG2 ARG A 12 -13.334 -1.432 -33.925 1.00 0.00 H new ATOM 0 HG3 ARG A 12 -12.465 -2.901 -33.526 1.00 0.00 H new ATOM 0 HD2 ARG A 12 -10.705 -1.535 -32.912 1.00 0.00 H new ATOM 0 HD3 ARG A 12 -10.448 -1.248 -34.622 1.00 0.00 H new ATOM 0 HE ARG A 12 -12.365 0.593 -34.320 1.00 0.00 H new ATOM 0 HH11 ARG A 12 -11.417 -0.511 -31.307 1.00 0.00 H new ATOM 0 HH12 ARG A 12 -10.803 1.036 -30.714 1.00 0.00 H new ATOM 0 HH21 ARG A 12 -10.975 2.586 -33.842 1.00 0.00 H new ATOM 0 HH22 ARG A 12 -10.555 2.773 -32.136 1.00 0.00 H new ATOM 162 N PRO A 13 -11.447 -5.573 -35.948 1.00 0.00 N ATOM 163 CA PRO A 13 -10.582 -6.653 -35.413 1.00 0.00 C ATOM 164 C PRO A 13 -9.362 -6.056 -34.706 1.00 0.00 C ATOM 165 O PRO A 13 -9.066 -6.387 -33.574 1.00 0.00 O ATOM 166 CB PRO A 13 -10.161 -7.426 -36.659 1.00 0.00 C ATOM 167 CG PRO A 13 -10.268 -6.447 -37.784 1.00 0.00 C ATOM 168 CD PRO A 13 -11.327 -5.441 -37.407 1.00 0.00 C ATOM 0 HA PRO A 13 -11.085 -7.281 -34.678 1.00 0.00 H new ATOM 0 HB2 PRO A 13 -9.143 -7.805 -36.562 1.00 0.00 H new ATOM 0 HB3 PRO A 13 -10.807 -8.288 -36.825 1.00 0.00 H new ATOM 0 HG2 PRO A 13 -9.312 -5.952 -37.955 1.00 0.00 H new ATOM 0 HG3 PRO A 13 -10.534 -6.955 -38.711 1.00 0.00 H new ATOM 0 HD2 PRO A 13 -11.036 -4.430 -37.693 1.00 0.00 H new ATOM 0 HD3 PRO A 13 -12.273 -5.653 -37.905 1.00 0.00 H new ATOM 176 N SER A 14 -8.653 -5.179 -35.364 1.00 0.00 N ATOM 177 CA SER A 14 -7.453 -4.558 -34.734 1.00 0.00 C ATOM 178 C SER A 14 -7.096 -3.252 -35.448 1.00 0.00 C ATOM 179 O SER A 14 -6.832 -2.244 -34.823 1.00 0.00 O ATOM 180 CB SER A 14 -6.337 -5.587 -34.911 1.00 0.00 C ATOM 181 OG SER A 14 -5.218 -5.208 -34.120 1.00 0.00 O ATOM 0 H SER A 14 -8.854 -4.865 -36.313 1.00 0.00 H new ATOM 0 HA SER A 14 -7.618 -4.311 -33.685 1.00 0.00 H new ATOM 0 HB2 SER A 14 -6.688 -6.576 -34.615 1.00 0.00 H new ATOM 0 HB3 SER A 14 -6.050 -5.652 -35.960 1.00 0.00 H new ATOM 0 HG SER A 14 -4.501 -5.867 -34.230 1.00 0.00 H new ATOM 187 N ARG A 15 -7.090 -3.264 -36.755 1.00 0.00 N ATOM 188 CA ARG A 15 -6.752 -2.024 -37.513 1.00 0.00 C ATOM 189 C ARG A 15 -7.116 -2.194 -38.991 1.00 0.00 C ATOM 190 O ARG A 15 -7.451 -3.273 -39.436 1.00 0.00 O ATOM 191 CB ARG A 15 -5.242 -1.857 -37.349 1.00 0.00 C ATOM 192 CG ARG A 15 -4.902 -0.368 -37.242 1.00 0.00 C ATOM 193 CD ARG A 15 -3.381 -0.192 -37.215 1.00 0.00 C ATOM 194 NE ARG A 15 -3.018 -0.212 -35.771 1.00 0.00 N ATOM 195 CZ ARG A 15 -2.048 -0.979 -35.352 1.00 0.00 C ATOM 196 NH1 ARG A 15 -2.174 -2.277 -35.404 1.00 0.00 N ATOM 197 NH2 ARG A 15 -0.952 -0.448 -34.885 1.00 0.00 N ATOM 0 H ARG A 15 -7.305 -4.079 -37.330 1.00 0.00 H new ATOM 0 HA ARG A 15 -7.299 -1.155 -37.148 1.00 0.00 H new ATOM 0 HB2 ARG A 15 -4.902 -2.384 -36.457 1.00 0.00 H new ATOM 0 HB3 ARG A 15 -4.722 -2.300 -38.199 1.00 0.00 H new ATOM 0 HG2 ARG A 15 -5.327 0.174 -38.087 1.00 0.00 H new ATOM 0 HG3 ARG A 15 -5.344 0.053 -36.339 1.00 0.00 H new ATOM 0 HD2 ARG A 15 -2.881 -0.993 -37.759 1.00 0.00 H new ATOM 0 HD3 ARG A 15 -3.084 0.746 -37.684 1.00 0.00 H new ATOM 0 HE ARG A 15 -3.527 0.374 -35.109 1.00 0.00 H new ATOM 0 HH11 ARG A 15 -3.030 -2.692 -35.772 1.00 0.00 H new ATOM 0 HH12 ARG A 15 -1.416 -2.876 -35.077 1.00 0.00 H new ATOM 0 HH21 ARG A 15 -0.853 0.566 -34.847 1.00 0.00 H new ATOM 0 HH22 ARG A 15 -0.194 -1.047 -34.558 1.00 0.00 H new ATOM 211 N GLY A 16 -7.052 -1.134 -39.752 1.00 0.00 N ATOM 212 CA GLY A 16 -7.393 -1.231 -41.200 1.00 0.00 C ATOM 213 C GLY A 16 -6.290 -1.996 -41.937 1.00 0.00 C ATOM 214 O GLY A 16 -6.389 -3.191 -42.128 1.00 0.00 O ATOM 0 H GLY A 16 -6.778 -0.205 -39.433 1.00 0.00 H new ATOM 0 HA2 GLY A 16 -8.349 -1.740 -41.326 1.00 0.00 H new ATOM 0 HA3 GLY A 16 -7.504 -0.234 -41.625 1.00 0.00 H new ATOM 218 N PRO A 17 -5.269 -1.278 -42.331 1.00 0.00 N ATOM 219 CA PRO A 17 -4.137 -1.904 -43.057 1.00 0.00 C ATOM 220 C PRO A 17 -3.286 -2.745 -42.099 1.00 0.00 C ATOM 221 O PRO A 17 -3.230 -2.486 -40.913 1.00 0.00 O ATOM 222 CB PRO A 17 -3.343 -0.710 -43.583 1.00 0.00 C ATOM 223 CG PRO A 17 -3.678 0.416 -42.659 1.00 0.00 C ATOM 224 CD PRO A 17 -5.071 0.167 -42.142 1.00 0.00 C ATOM 0 HA PRO A 17 -4.458 -2.579 -43.850 1.00 0.00 H new ATOM 0 HB2 PRO A 17 -2.273 -0.916 -43.581 1.00 0.00 H new ATOM 0 HB3 PRO A 17 -3.621 -0.473 -44.610 1.00 0.00 H new ATOM 0 HG2 PRO A 17 -2.965 0.464 -41.836 1.00 0.00 H new ATOM 0 HG3 PRO A 17 -3.626 1.371 -43.182 1.00 0.00 H new ATOM 0 HD2 PRO A 17 -5.163 0.448 -41.093 1.00 0.00 H new ATOM 0 HD3 PRO A 17 -5.811 0.747 -42.694 1.00 0.00 H new ATOM 232 N ALA A 18 -2.624 -3.750 -42.608 1.00 0.00 N ATOM 233 CA ALA A 18 -1.775 -4.609 -41.732 1.00 0.00 C ATOM 234 C ALA A 18 -0.336 -4.632 -42.253 1.00 0.00 C ATOM 235 O ALA A 18 -0.070 -5.090 -43.347 1.00 0.00 O ATOM 236 CB ALA A 18 -2.400 -6.002 -41.818 1.00 0.00 C ATOM 0 H ALA A 18 -2.635 -4.013 -43.593 1.00 0.00 H new ATOM 0 HA ALA A 18 -1.736 -4.244 -40.706 1.00 0.00 H new ATOM 0 HB1 ALA A 18 -1.831 -6.695 -41.198 1.00 0.00 H new ATOM 0 HB2 ALA A 18 -3.430 -5.961 -41.464 1.00 0.00 H new ATOM 0 HB3 ALA A 18 -2.385 -6.344 -42.853 1.00 0.00 H new ATOM 242 N ALA A 19 0.594 -4.143 -41.478 1.00 0.00 N ATOM 243 CA ALA A 19 2.017 -4.134 -41.928 1.00 0.00 C ATOM 244 C ALA A 19 2.905 -4.834 -40.896 1.00 0.00 C ATOM 245 O ALA A 19 3.607 -5.777 -41.206 1.00 0.00 O ATOM 246 CB ALA A 19 2.388 -2.656 -42.039 1.00 0.00 C ATOM 0 H ALA A 19 0.430 -3.749 -40.552 1.00 0.00 H new ATOM 0 HA ALA A 19 2.154 -4.661 -42.872 1.00 0.00 H new ATOM 0 HB1 ALA A 19 3.424 -2.564 -42.366 1.00 0.00 H new ATOM 0 HB2 ALA A 19 1.734 -2.170 -42.763 1.00 0.00 H new ATOM 0 HB3 ALA A 19 2.271 -2.177 -41.067 1.00 0.00 H new ATOM 252 N ALA A 20 2.878 -4.381 -39.672 1.00 0.00 N ATOM 253 CA ALA A 20 3.722 -5.018 -38.619 1.00 0.00 C ATOM 254 C ALA A 20 2.846 -5.818 -37.650 1.00 0.00 C ATOM 255 O ALA A 20 3.083 -6.984 -37.403 1.00 0.00 O ATOM 256 CB ALA A 20 4.399 -3.855 -37.894 1.00 0.00 C ATOM 0 H ALA A 20 2.308 -3.597 -39.355 1.00 0.00 H new ATOM 0 HA ALA A 20 4.448 -5.714 -39.039 1.00 0.00 H new ATOM 0 HB1 ALA A 20 5.039 -4.243 -37.102 1.00 0.00 H new ATOM 0 HB2 ALA A 20 5.002 -3.286 -38.602 1.00 0.00 H new ATOM 0 HB3 ALA A 20 3.639 -3.205 -37.460 1.00 0.00 H new ATOM 262 N GLN A 21 1.834 -5.198 -37.097 1.00 0.00 N ATOM 263 CA GLN A 21 0.937 -5.915 -36.140 1.00 0.00 C ATOM 264 C GLN A 21 1.760 -6.586 -35.036 1.00 0.00 C ATOM 265 O GLN A 21 2.162 -7.728 -35.156 1.00 0.00 O ATOM 266 CB GLN A 21 0.210 -6.967 -36.981 1.00 0.00 C ATOM 267 CG GLN A 21 -1.131 -6.405 -37.455 1.00 0.00 C ATOM 268 CD GLN A 21 -2.051 -7.557 -37.866 1.00 0.00 C ATOM 269 OE1 GLN A 21 -2.161 -7.875 -39.034 1.00 0.00 O ATOM 270 NE2 GLN A 21 -2.720 -8.200 -36.949 1.00 0.00 N ATOM 0 H GLN A 21 1.590 -4.223 -37.268 1.00 0.00 H new ATOM 0 HA GLN A 21 0.241 -5.236 -35.647 1.00 0.00 H new ATOM 0 HB2 GLN A 21 0.822 -7.249 -37.838 1.00 0.00 H new ATOM 0 HB3 GLN A 21 0.050 -7.871 -36.393 1.00 0.00 H new ATOM 0 HG2 GLN A 21 -1.594 -5.822 -36.659 1.00 0.00 H new ATOM 0 HG3 GLN A 21 -0.977 -5.730 -38.297 1.00 0.00 H new ATOM 0 HE21 GLN A 21 -2.628 -7.933 -35.969 1.00 0.00 H new ATOM 0 HE22 GLN A 21 -3.335 -8.970 -37.212 1.00 0.00 H new ATOM 279 N GLY A 22 2.014 -5.886 -33.962 1.00 0.00 N ATOM 280 CA GLY A 22 2.810 -6.481 -32.851 1.00 0.00 C ATOM 281 C GLY A 22 2.788 -5.541 -31.645 1.00 0.00 C ATOM 282 O GLY A 22 3.533 -4.582 -31.581 1.00 0.00 O ATOM 0 H GLY A 22 1.704 -4.927 -33.807 1.00 0.00 H new ATOM 0 HA2 GLY A 22 2.399 -7.452 -32.575 1.00 0.00 H new ATOM 0 HA3 GLY A 22 3.837 -6.649 -33.175 1.00 0.00 H new ATOM 286 N SER A 23 1.940 -5.808 -30.689 1.00 0.00 N ATOM 287 CA SER A 23 1.868 -4.931 -29.484 1.00 0.00 C ATOM 288 C SER A 23 2.022 -5.768 -28.211 1.00 0.00 C ATOM 289 O SER A 23 1.142 -6.521 -27.842 1.00 0.00 O ATOM 290 CB SER A 23 0.482 -4.293 -29.542 1.00 0.00 C ATOM 291 OG SER A 23 -0.504 -5.315 -29.597 1.00 0.00 O ATOM 0 H SER A 23 1.293 -6.596 -30.690 1.00 0.00 H new ATOM 0 HA SER A 23 2.660 -4.183 -29.469 1.00 0.00 H new ATOM 0 HB2 SER A 23 0.322 -3.664 -28.666 1.00 0.00 H new ATOM 0 HB3 SER A 23 0.402 -3.648 -30.417 1.00 0.00 H new ATOM 0 HG SER A 23 -0.251 -6.047 -28.996 1.00 0.00 H new ATOM 297 N ALA A 24 3.134 -5.639 -27.537 1.00 0.00 N ATOM 298 CA ALA A 24 3.348 -6.426 -26.287 1.00 0.00 C ATOM 299 C ALA A 24 2.555 -5.808 -25.133 1.00 0.00 C ATOM 300 O ALA A 24 2.849 -4.720 -24.678 1.00 0.00 O ATOM 301 CB ALA A 24 4.849 -6.337 -26.013 1.00 0.00 C ATOM 0 H ALA A 24 3.904 -5.023 -27.798 1.00 0.00 H new ATOM 0 HA ALA A 24 3.013 -7.459 -26.387 1.00 0.00 H new ATOM 0 HB1 ALA A 24 5.087 -6.893 -25.106 1.00 0.00 H new ATOM 0 HB2 ALA A 24 5.398 -6.761 -26.854 1.00 0.00 H new ATOM 0 HB3 ALA A 24 5.134 -5.293 -25.884 1.00 0.00 H new ATOM 307 N ALA A 25 1.551 -6.496 -24.656 1.00 0.00 N ATOM 308 CA ALA A 25 0.737 -5.951 -23.531 1.00 0.00 C ATOM 309 C ALA A 25 0.543 -7.019 -22.451 1.00 0.00 C ATOM 310 O ALA A 25 -0.511 -7.129 -21.857 1.00 0.00 O ATOM 311 CB ALA A 25 -0.605 -5.575 -24.160 1.00 0.00 C ATOM 0 H ALA A 25 1.260 -7.412 -24.997 1.00 0.00 H new ATOM 0 HA ALA A 25 1.216 -5.098 -23.050 1.00 0.00 H new ATOM 0 HB1 ALA A 25 -1.263 -5.165 -23.394 1.00 0.00 H new ATOM 0 HB2 ALA A 25 -0.446 -4.830 -24.939 1.00 0.00 H new ATOM 0 HB3 ALA A 25 -1.064 -6.463 -24.596 1.00 0.00 H new ATOM 317 N ALA A 26 1.555 -7.805 -22.193 1.00 0.00 N ATOM 318 CA ALA A 26 1.431 -8.867 -21.151 1.00 0.00 C ATOM 319 C ALA A 26 2.217 -8.469 -19.895 1.00 0.00 C ATOM 320 O ALA A 26 3.194 -7.752 -19.981 1.00 0.00 O ATOM 321 CB ALA A 26 2.035 -10.119 -21.788 1.00 0.00 C ATOM 0 H ALA A 26 2.461 -7.758 -22.658 1.00 0.00 H new ATOM 0 HA ALA A 26 0.398 -9.026 -20.842 1.00 0.00 H new ATOM 0 HB1 ALA A 26 1.982 -10.948 -21.082 1.00 0.00 H new ATOM 0 HB2 ALA A 26 1.478 -10.373 -22.690 1.00 0.00 H new ATOM 0 HB3 ALA A 26 3.077 -9.929 -22.047 1.00 0.00 H new ATOM 327 N PRO A 27 1.763 -8.949 -18.764 1.00 0.00 N ATOM 328 CA PRO A 27 2.441 -8.634 -17.482 1.00 0.00 C ATOM 329 C PRO A 27 3.759 -9.404 -17.371 1.00 0.00 C ATOM 330 O PRO A 27 3.776 -10.590 -17.106 1.00 0.00 O ATOM 331 CB PRO A 27 1.445 -9.105 -16.425 1.00 0.00 C ATOM 332 CG PRO A 27 0.626 -10.157 -17.104 1.00 0.00 C ATOM 333 CD PRO A 27 0.595 -9.818 -18.572 1.00 0.00 C ATOM 0 HA PRO A 27 2.697 -7.579 -17.380 1.00 0.00 H new ATOM 0 HB2 PRO A 27 1.958 -9.507 -15.551 1.00 0.00 H new ATOM 0 HB3 PRO A 27 0.820 -8.282 -16.077 1.00 0.00 H new ATOM 0 HG2 PRO A 27 1.060 -11.144 -16.946 1.00 0.00 H new ATOM 0 HG3 PRO A 27 -0.383 -10.183 -16.694 1.00 0.00 H new ATOM 0 HD2 PRO A 27 0.659 -10.714 -19.189 1.00 0.00 H new ATOM 0 HD3 PRO A 27 -0.330 -9.309 -18.844 1.00 0.00 H new ATOM 341 N ALA A 28 4.865 -8.736 -17.570 1.00 0.00 N ATOM 342 CA ALA A 28 6.184 -9.427 -17.475 1.00 0.00 C ATOM 343 C ALA A 28 6.843 -9.123 -16.126 1.00 0.00 C ATOM 344 O ALA A 28 7.497 -9.964 -15.542 1.00 0.00 O ATOM 345 CB ALA A 28 7.016 -8.849 -18.622 1.00 0.00 C ATOM 0 H ALA A 28 4.912 -7.742 -17.794 1.00 0.00 H new ATOM 0 HA ALA A 28 6.090 -10.511 -17.545 1.00 0.00 H new ATOM 0 HB1 ALA A 28 8.005 -9.308 -18.621 1.00 0.00 H new ATOM 0 HB2 ALA A 28 6.521 -9.056 -19.571 1.00 0.00 H new ATOM 0 HB3 ALA A 28 7.116 -7.771 -18.492 1.00 0.00 H new ATOM 351 N GLU A 29 6.673 -7.927 -15.632 1.00 0.00 N ATOM 352 CA GLU A 29 7.288 -7.564 -14.320 1.00 0.00 C ATOM 353 C GLU A 29 6.362 -6.616 -13.547 1.00 0.00 C ATOM 354 O GLU A 29 6.373 -5.423 -13.773 1.00 0.00 O ATOM 355 CB GLU A 29 8.597 -6.861 -14.678 1.00 0.00 C ATOM 356 CG GLU A 29 9.754 -7.863 -14.620 1.00 0.00 C ATOM 357 CD GLU A 29 10.872 -7.308 -13.734 1.00 0.00 C ATOM 358 OE1 GLU A 29 10.581 -6.935 -12.610 1.00 0.00 O ATOM 359 OE2 GLU A 29 12.001 -7.264 -14.197 1.00 0.00 O ATOM 0 H GLU A 29 6.135 -7.184 -16.079 1.00 0.00 H new ATOM 0 HA GLU A 29 7.454 -8.435 -13.685 1.00 0.00 H new ATOM 0 HB2 GLU A 29 8.528 -6.429 -15.676 1.00 0.00 H new ATOM 0 HB3 GLU A 29 8.780 -6.039 -13.986 1.00 0.00 H new ATOM 0 HG2 GLU A 29 9.403 -8.816 -14.225 1.00 0.00 H new ATOM 0 HG3 GLU A 29 10.133 -8.054 -15.624 1.00 0.00 H new ATOM 366 N PRO A 30 5.586 -7.180 -12.653 1.00 0.00 N ATOM 367 CA PRO A 30 4.646 -6.370 -11.843 1.00 0.00 C ATOM 368 C PRO A 30 5.356 -5.706 -10.664 1.00 0.00 C ATOM 369 O PRO A 30 4.748 -5.441 -9.646 1.00 0.00 O ATOM 370 CB PRO A 30 3.626 -7.390 -11.353 1.00 0.00 C ATOM 371 CG PRO A 30 4.341 -8.708 -11.361 1.00 0.00 C ATOM 372 CD PRO A 30 5.502 -8.608 -12.323 1.00 0.00 C ATOM 0 HA PRO A 30 4.198 -5.555 -12.413 1.00 0.00 H new ATOM 0 HB2 PRO A 30 3.272 -7.142 -10.352 1.00 0.00 H new ATOM 0 HB3 PRO A 30 2.752 -7.414 -12.003 1.00 0.00 H new ATOM 0 HG2 PRO A 30 4.696 -8.954 -10.360 1.00 0.00 H new ATOM 0 HG3 PRO A 30 3.664 -9.506 -11.664 1.00 0.00 H new ATOM 0 HD2 PRO A 30 6.426 -8.965 -11.868 1.00 0.00 H new ATOM 0 HD3 PRO A 30 5.332 -9.212 -13.214 1.00 0.00 H new ATOM 380 N LYS A 31 6.616 -5.393 -10.801 1.00 0.00 N ATOM 381 CA LYS A 31 7.317 -4.692 -9.694 1.00 0.00 C ATOM 382 C LYS A 31 6.766 -3.271 -9.659 1.00 0.00 C ATOM 383 O LYS A 31 7.438 -2.319 -10.006 1.00 0.00 O ATOM 384 CB LYS A 31 8.798 -4.697 -10.076 1.00 0.00 C ATOM 385 CG LYS A 31 9.560 -5.662 -9.165 1.00 0.00 C ATOM 386 CD LYS A 31 9.712 -7.015 -9.862 1.00 0.00 C ATOM 387 CE LYS A 31 9.552 -8.140 -8.837 1.00 0.00 C ATOM 388 NZ LYS A 31 8.080 -8.269 -8.639 1.00 0.00 N ATOM 0 H LYS A 31 7.184 -5.591 -11.625 1.00 0.00 H new ATOM 0 HA LYS A 31 7.181 -5.152 -8.715 1.00 0.00 H new ATOM 0 HB2 LYS A 31 8.914 -4.996 -11.118 1.00 0.00 H new ATOM 0 HB3 LYS A 31 9.211 -3.692 -9.985 1.00 0.00 H new ATOM 0 HG2 LYS A 31 10.541 -5.253 -8.925 1.00 0.00 H new ATOM 0 HG3 LYS A 31 9.027 -5.785 -8.222 1.00 0.00 H new ATOM 0 HD2 LYS A 31 8.964 -7.117 -10.648 1.00 0.00 H new ATOM 0 HD3 LYS A 31 10.689 -7.081 -10.341 1.00 0.00 H new ATOM 0 HE2 LYS A 31 9.985 -9.072 -9.201 1.00 0.00 H new ATOM 0 HE3 LYS A 31 10.057 -7.898 -7.902 1.00 0.00 H new ATOM 0 HZ1 LYS A 31 7.874 -8.380 -7.626 1.00 0.00 H new ATOM 0 HZ2 LYS A 31 7.605 -7.416 -8.997 1.00 0.00 H new ATOM 0 HZ3 LYS A 31 7.732 -9.101 -9.156 1.00 0.00 H new ATOM 402 N ILE A 32 5.522 -3.135 -9.293 1.00 0.00 N ATOM 403 CA ILE A 32 4.885 -1.793 -9.289 1.00 0.00 C ATOM 404 C ILE A 32 5.649 -0.831 -8.376 1.00 0.00 C ATOM 405 O ILE A 32 6.095 -1.197 -7.304 1.00 0.00 O ATOM 406 CB ILE A 32 3.470 -2.025 -8.753 1.00 0.00 C ATOM 407 CG1 ILE A 32 2.692 -2.918 -9.727 1.00 0.00 C ATOM 408 CG2 ILE A 32 2.745 -0.683 -8.601 1.00 0.00 C ATOM 409 CD1 ILE A 32 2.575 -2.233 -11.092 1.00 0.00 C ATOM 0 H ILE A 32 4.918 -3.901 -8.995 1.00 0.00 H new ATOM 0 HA ILE A 32 4.881 -1.344 -10.282 1.00 0.00 H new ATOM 0 HB ILE A 32 3.531 -2.513 -7.780 1.00 0.00 H new ATOM 0 HG12 ILE A 32 3.197 -3.878 -9.835 1.00 0.00 H new ATOM 0 HG13 ILE A 32 1.699 -3.124 -9.329 1.00 0.00 H new ATOM 0 HG21 ILE A 32 1.739 -0.854 -8.219 1.00 0.00 H new ATOM 0 HG22 ILE A 32 3.294 -0.050 -7.905 1.00 0.00 H new ATOM 0 HG23 ILE A 32 2.686 -0.189 -9.571 1.00 0.00 H new ATOM 0 HD11 ILE A 32 2.021 -2.876 -11.776 1.00 0.00 H new ATOM 0 HD12 ILE A 32 2.049 -1.285 -10.979 1.00 0.00 H new ATOM 0 HD13 ILE A 32 3.572 -2.050 -11.494 1.00 0.00 H new ATOM 421 N ILE A 33 5.787 0.399 -8.785 1.00 0.00 N ATOM 422 CA ILE A 33 6.504 1.397 -7.935 1.00 0.00 C ATOM 423 C ILE A 33 5.552 2.544 -7.587 1.00 0.00 C ATOM 424 O ILE A 33 4.621 2.829 -8.314 1.00 0.00 O ATOM 425 CB ILE A 33 7.706 1.880 -8.761 1.00 0.00 C ATOM 426 CG1 ILE A 33 7.245 2.807 -9.899 1.00 0.00 C ATOM 427 CG2 ILE A 33 8.440 0.665 -9.343 1.00 0.00 C ATOM 428 CD1 ILE A 33 8.389 3.017 -10.892 1.00 0.00 C ATOM 0 H ILE A 33 5.435 0.759 -9.672 1.00 0.00 H new ATOM 0 HA ILE A 33 6.847 0.972 -6.992 1.00 0.00 H new ATOM 0 HB ILE A 33 8.379 2.442 -8.113 1.00 0.00 H new ATOM 0 HG12 ILE A 33 6.385 2.373 -10.408 1.00 0.00 H new ATOM 0 HG13 ILE A 33 6.924 3.766 -9.492 1.00 0.00 H new ATOM 0 HG21 ILE A 33 9.294 1.003 -9.930 1.00 0.00 H new ATOM 0 HG22 ILE A 33 8.788 0.027 -8.531 1.00 0.00 H new ATOM 0 HG23 ILE A 33 7.760 0.101 -9.982 1.00 0.00 H new ATOM 0 HD11 ILE A 33 8.057 3.674 -11.696 1.00 0.00 H new ATOM 0 HD12 ILE A 33 9.237 3.471 -10.379 1.00 0.00 H new ATOM 0 HD13 ILE A 33 8.689 2.056 -11.310 1.00 0.00 H new ATOM 440 N LYS A 34 5.762 3.191 -6.473 1.00 0.00 N ATOM 441 CA LYS A 34 4.848 4.301 -6.075 1.00 0.00 C ATOM 442 C LYS A 34 5.362 5.640 -6.609 1.00 0.00 C ATOM 443 O LYS A 34 6.551 5.884 -6.669 1.00 0.00 O ATOM 444 CB LYS A 34 4.859 4.291 -4.547 1.00 0.00 C ATOM 445 CG LYS A 34 3.895 3.217 -4.038 1.00 0.00 C ATOM 446 CD LYS A 34 3.665 3.402 -2.536 1.00 0.00 C ATOM 447 CE LYS A 34 2.162 3.384 -2.241 1.00 0.00 C ATOM 448 NZ LYS A 34 2.062 3.181 -0.769 1.00 0.00 N ATOM 0 H LYS A 34 6.524 3.000 -5.823 1.00 0.00 H new ATOM 0 HA LYS A 34 3.844 4.170 -6.479 1.00 0.00 H new ATOM 0 HB2 LYS A 34 5.867 4.094 -4.181 1.00 0.00 H new ATOM 0 HB3 LYS A 34 4.567 5.269 -4.164 1.00 0.00 H new ATOM 0 HG2 LYS A 34 2.947 3.283 -4.572 1.00 0.00 H new ATOM 0 HG3 LYS A 34 4.303 2.226 -4.234 1.00 0.00 H new ATOM 0 HD2 LYS A 34 4.164 2.608 -1.981 1.00 0.00 H new ATOM 0 HD3 LYS A 34 4.100 4.345 -2.205 1.00 0.00 H new ATOM 0 HE2 LYS A 34 1.689 4.318 -2.544 1.00 0.00 H new ATOM 0 HE3 LYS A 34 1.662 2.583 -2.785 1.00 0.00 H new ATOM 0 HZ1 LYS A 34 1.061 3.157 -0.489 1.00 0.00 H new ATOM 0 HZ2 LYS A 34 2.515 2.281 -0.511 1.00 0.00 H new ATOM 0 HZ3 LYS A 34 2.541 3.963 -0.277 1.00 0.00 H new ATOM 462 N VAL A 35 4.465 6.507 -6.995 1.00 0.00 N ATOM 463 CA VAL A 35 4.885 7.835 -7.525 1.00 0.00 C ATOM 464 C VAL A 35 4.060 8.940 -6.865 1.00 0.00 C ATOM 465 O VAL A 35 2.866 9.039 -7.070 1.00 0.00 O ATOM 466 CB VAL A 35 4.593 7.777 -9.027 1.00 0.00 C ATOM 467 CG1 VAL A 35 5.113 9.050 -9.699 1.00 0.00 C ATOM 468 CG2 VAL A 35 5.289 6.560 -9.641 1.00 0.00 C ATOM 0 H VAL A 35 3.457 6.352 -6.966 1.00 0.00 H new ATOM 0 HA VAL A 35 5.935 8.049 -7.324 1.00 0.00 H new ATOM 0 HB VAL A 35 3.517 7.696 -9.181 1.00 0.00 H new ATOM 0 HG11 VAL A 35 4.905 9.008 -10.768 1.00 0.00 H new ATOM 0 HG12 VAL A 35 4.617 9.919 -9.266 1.00 0.00 H new ATOM 0 HG13 VAL A 35 6.189 9.131 -9.542 1.00 0.00 H new ATOM 0 HG21 VAL A 35 5.079 6.522 -10.710 1.00 0.00 H new ATOM 0 HG22 VAL A 35 6.365 6.639 -9.485 1.00 0.00 H new ATOM 0 HG23 VAL A 35 4.919 5.651 -9.166 1.00 0.00 H new ATOM 478 N THR A 36 4.684 9.773 -6.076 1.00 0.00 N ATOM 479 CA THR A 36 3.929 10.870 -5.405 1.00 0.00 C ATOM 480 C THR A 36 3.956 12.130 -6.273 1.00 0.00 C ATOM 481 O THR A 36 4.944 12.838 -6.324 1.00 0.00 O ATOM 482 CB THR A 36 4.659 11.106 -4.083 1.00 0.00 C ATOM 483 OG1 THR A 36 4.958 9.855 -3.479 1.00 0.00 O ATOM 484 CG2 THR A 36 3.771 11.928 -3.147 1.00 0.00 C ATOM 0 H THR A 36 5.682 9.741 -5.867 1.00 0.00 H new ATOM 0 HA THR A 36 2.881 10.617 -5.246 1.00 0.00 H new ATOM 0 HB THR A 36 5.585 11.649 -4.271 1.00 0.00 H new ATOM 0 HG1 THR A 36 5.894 9.623 -3.654 1.00 0.00 H new ATOM 0 HG21 THR A 36 4.293 12.096 -2.205 1.00 0.00 H new ATOM 0 HG22 THR A 36 3.543 12.887 -3.611 1.00 0.00 H new ATOM 0 HG23 THR A 36 2.844 11.387 -2.957 1.00 0.00 H new ATOM 492 N VAL A 37 2.881 12.410 -6.959 1.00 0.00 N ATOM 493 CA VAL A 37 2.845 13.621 -7.829 1.00 0.00 C ATOM 494 C VAL A 37 2.220 14.796 -7.073 1.00 0.00 C ATOM 495 O VAL A 37 1.136 14.692 -6.529 1.00 0.00 O ATOM 496 CB VAL A 37 1.975 13.228 -9.026 1.00 0.00 C ATOM 497 CG1 VAL A 37 1.915 14.392 -10.019 1.00 0.00 C ATOM 498 CG2 VAL A 37 2.578 12.002 -9.717 1.00 0.00 C ATOM 0 H VAL A 37 2.026 11.853 -6.955 1.00 0.00 H new ATOM 0 HA VAL A 37 3.842 13.936 -8.138 1.00 0.00 H new ATOM 0 HB VAL A 37 0.969 12.992 -8.679 1.00 0.00 H new ATOM 0 HG11 VAL A 37 1.296 14.112 -10.871 1.00 0.00 H new ATOM 0 HG12 VAL A 37 1.485 15.266 -9.530 1.00 0.00 H new ATOM 0 HG13 VAL A 37 2.922 14.628 -10.364 1.00 0.00 H new ATOM 0 HG21 VAL A 37 1.958 11.723 -10.569 1.00 0.00 H new ATOM 0 HG22 VAL A 37 3.585 12.237 -10.062 1.00 0.00 H new ATOM 0 HG23 VAL A 37 2.621 11.172 -9.012 1.00 0.00 H new ATOM 508 N LYS A 38 2.895 15.913 -7.038 1.00 0.00 N ATOM 509 CA LYS A 38 2.344 17.101 -6.323 1.00 0.00 C ATOM 510 C LYS A 38 1.875 18.146 -7.337 1.00 0.00 C ATOM 511 O LYS A 38 2.634 18.604 -8.168 1.00 0.00 O ATOM 512 CB LYS A 38 3.510 17.642 -5.492 1.00 0.00 C ATOM 513 CG LYS A 38 3.288 17.315 -4.010 1.00 0.00 C ATOM 514 CD LYS A 38 3.089 18.611 -3.221 1.00 0.00 C ATOM 515 CE LYS A 38 2.585 18.280 -1.814 1.00 0.00 C ATOM 516 NZ LYS A 38 2.804 19.525 -1.026 1.00 0.00 N ATOM 0 H LYS A 38 3.806 16.055 -7.474 1.00 0.00 H new ATOM 0 HA LYS A 38 1.486 16.851 -5.699 1.00 0.00 H new ATOM 0 HB2 LYS A 38 4.447 17.203 -5.834 1.00 0.00 H new ATOM 0 HB3 LYS A 38 3.595 18.720 -5.627 1.00 0.00 H new ATOM 0 HG2 LYS A 38 2.416 16.671 -3.896 1.00 0.00 H new ATOM 0 HG3 LYS A 38 4.143 16.766 -3.617 1.00 0.00 H new ATOM 0 HD2 LYS A 38 4.028 19.161 -3.162 1.00 0.00 H new ATOM 0 HD3 LYS A 38 2.374 19.255 -3.733 1.00 0.00 H new ATOM 0 HE2 LYS A 38 1.531 18.001 -1.827 1.00 0.00 H new ATOM 0 HE3 LYS A 38 3.132 17.440 -1.386 1.00 0.00 H new ATOM 0 HZ1 LYS A 38 2.483 19.378 -0.048 1.00 0.00 H new ATOM 0 HZ2 LYS A 38 3.817 19.762 -1.026 1.00 0.00 H new ATOM 0 HZ3 LYS A 38 2.266 20.306 -1.453 1.00 0.00 H new ATOM 530 N THR A 39 0.627 18.521 -7.275 1.00 0.00 N ATOM 531 CA THR A 39 0.099 19.534 -8.234 1.00 0.00 C ATOM 532 C THR A 39 -0.516 20.710 -7.464 1.00 0.00 C ATOM 533 O THR A 39 -0.736 20.614 -6.274 1.00 0.00 O ATOM 534 CB THR A 39 -0.972 18.784 -9.032 1.00 0.00 C ATOM 535 OG1 THR A 39 -1.927 18.234 -8.135 1.00 0.00 O ATOM 536 CG2 THR A 39 -0.318 17.659 -9.838 1.00 0.00 C ATOM 0 H THR A 39 -0.052 18.169 -6.600 1.00 0.00 H new ATOM 0 HA THR A 39 0.872 19.951 -8.880 1.00 0.00 H new ATOM 0 HB THR A 39 -1.468 19.474 -9.715 1.00 0.00 H new ATOM 0 HG1 THR A 39 -2.698 17.902 -8.641 1.00 0.00 H new ATOM 0 HG21 THR A 39 -1.081 17.126 -10.405 1.00 0.00 H new ATOM 0 HG22 THR A 39 0.415 18.082 -10.525 1.00 0.00 H new ATOM 0 HG23 THR A 39 0.179 16.966 -9.159 1.00 0.00 H new ATOM 544 N PRO A 40 -0.776 21.785 -8.165 1.00 0.00 N ATOM 545 CA PRO A 40 -1.373 22.981 -7.517 1.00 0.00 C ATOM 546 C PRO A 40 -2.813 22.692 -7.078 1.00 0.00 C ATOM 547 O PRO A 40 -3.402 23.442 -6.324 1.00 0.00 O ATOM 548 CB PRO A 40 -1.332 24.044 -8.614 1.00 0.00 C ATOM 549 CG PRO A 40 -1.299 23.271 -9.892 1.00 0.00 C ATOM 550 CD PRO A 40 -0.551 21.997 -9.602 1.00 0.00 C ATOM 0 HA PRO A 40 -0.843 23.290 -6.616 1.00 0.00 H new ATOM 0 HB2 PRO A 40 -2.205 24.695 -8.567 1.00 0.00 H new ATOM 0 HB3 PRO A 40 -0.454 24.682 -8.514 1.00 0.00 H new ATOM 0 HG2 PRO A 40 -2.309 23.057 -10.242 1.00 0.00 H new ATOM 0 HG3 PRO A 40 -0.804 23.841 -10.678 1.00 0.00 H new ATOM 0 HD2 PRO A 40 -0.931 21.165 -10.195 1.00 0.00 H new ATOM 0 HD3 PRO A 40 0.510 22.094 -9.832 1.00 0.00 H new ATOM 558 N LYS A 41 -3.380 21.606 -7.535 1.00 0.00 N ATOM 559 CA LYS A 41 -4.776 21.265 -7.134 1.00 0.00 C ATOM 560 C LYS A 41 -4.754 20.360 -5.899 1.00 0.00 C ATOM 561 O LYS A 41 -5.512 20.547 -4.967 1.00 0.00 O ATOM 562 CB LYS A 41 -5.365 20.524 -8.337 1.00 0.00 C ATOM 563 CG LYS A 41 -6.584 21.285 -8.864 1.00 0.00 C ATOM 564 CD LYS A 41 -6.147 22.246 -9.972 1.00 0.00 C ATOM 565 CE LYS A 41 -7.382 22.865 -10.628 1.00 0.00 C ATOM 566 NZ LYS A 41 -7.875 21.828 -11.575 1.00 0.00 N ATOM 0 H LYS A 41 -2.936 20.941 -8.168 1.00 0.00 H new ATOM 0 HA LYS A 41 -5.364 22.146 -6.876 1.00 0.00 H new ATOM 0 HB2 LYS A 41 -4.615 20.431 -9.122 1.00 0.00 H new ATOM 0 HB3 LYS A 41 -5.652 19.513 -8.049 1.00 0.00 H new ATOM 0 HG2 LYS A 41 -7.325 20.584 -9.248 1.00 0.00 H new ATOM 0 HG3 LYS A 41 -7.058 21.839 -8.054 1.00 0.00 H new ATOM 0 HD2 LYS A 41 -5.511 23.029 -9.559 1.00 0.00 H new ATOM 0 HD3 LYS A 41 -5.555 21.714 -10.717 1.00 0.00 H new ATOM 0 HE2 LYS A 41 -8.140 23.114 -9.886 1.00 0.00 H new ATOM 0 HE3 LYS A 41 -7.131 23.789 -11.150 1.00 0.00 H new ATOM 0 HZ1 LYS A 41 -7.883 22.215 -12.540 1.00 0.00 H new ATOM 0 HZ2 LYS A 41 -7.248 20.999 -11.540 1.00 0.00 H new ATOM 0 HZ3 LYS A 41 -8.839 21.544 -11.308 1.00 0.00 H new ATOM 580 N GLU A 42 -3.889 19.379 -5.888 1.00 0.00 N ATOM 581 CA GLU A 42 -3.811 18.457 -4.716 1.00 0.00 C ATOM 582 C GLU A 42 -2.608 17.517 -4.858 1.00 0.00 C ATOM 583 O GLU A 42 -1.746 17.720 -5.692 1.00 0.00 O ATOM 584 CB GLU A 42 -5.120 17.662 -4.742 1.00 0.00 C ATOM 585 CG GLU A 42 -5.239 16.901 -6.066 1.00 0.00 C ATOM 586 CD GLU A 42 -6.686 16.445 -6.266 1.00 0.00 C ATOM 587 OE1 GLU A 42 -7.540 17.303 -6.424 1.00 0.00 O ATOM 588 OE2 GLU A 42 -6.916 15.247 -6.256 1.00 0.00 O ATOM 0 H GLU A 42 -3.232 19.176 -6.642 1.00 0.00 H new ATOM 0 HA GLU A 42 -3.683 18.997 -3.778 1.00 0.00 H new ATOM 0 HB2 GLU A 42 -5.148 16.963 -3.906 1.00 0.00 H new ATOM 0 HB3 GLU A 42 -5.968 18.336 -4.622 1.00 0.00 H new ATOM 0 HG2 GLU A 42 -4.930 17.540 -6.894 1.00 0.00 H new ATOM 0 HG3 GLU A 42 -4.572 16.039 -6.063 1.00 0.00 H new ATOM 595 N LYS A 43 -2.548 16.491 -4.053 1.00 0.00 N ATOM 596 CA LYS A 43 -1.405 15.532 -4.139 1.00 0.00 C ATOM 597 C LYS A 43 -1.931 14.095 -4.183 1.00 0.00 C ATOM 598 O LYS A 43 -2.632 13.653 -3.294 1.00 0.00 O ATOM 599 CB LYS A 43 -0.574 15.769 -2.872 1.00 0.00 C ATOM 600 CG LYS A 43 -1.477 15.725 -1.634 1.00 0.00 C ATOM 601 CD LYS A 43 -0.636 15.961 -0.375 1.00 0.00 C ATOM 602 CE LYS A 43 -0.605 14.684 0.470 1.00 0.00 C ATOM 603 NZ LYS A 43 -0.526 15.158 1.880 1.00 0.00 N ATOM 0 H LYS A 43 -3.242 16.274 -3.338 1.00 0.00 H new ATOM 0 HA LYS A 43 -0.809 15.682 -5.039 1.00 0.00 H new ATOM 0 HB2 LYS A 43 0.204 15.010 -2.791 1.00 0.00 H new ATOM 0 HB3 LYS A 43 -0.073 16.735 -2.932 1.00 0.00 H new ATOM 0 HG2 LYS A 43 -2.255 16.485 -1.712 1.00 0.00 H new ATOM 0 HG3 LYS A 43 -1.979 14.760 -1.572 1.00 0.00 H new ATOM 0 HD2 LYS A 43 0.378 16.250 -0.652 1.00 0.00 H new ATOM 0 HD3 LYS A 43 -1.055 16.783 0.205 1.00 0.00 H new ATOM 0 HE2 LYS A 43 -1.497 14.080 0.306 1.00 0.00 H new ATOM 0 HE3 LYS A 43 0.253 14.062 0.214 1.00 0.00 H new ATOM 0 HZ1 LYS A 43 -0.501 14.339 2.521 1.00 0.00 H new ATOM 0 HZ2 LYS A 43 0.337 15.724 2.008 1.00 0.00 H new ATOM 0 HZ3 LYS A 43 -1.359 15.742 2.097 1.00 0.00 H new ATOM 617 N GLU A 44 -1.608 13.362 -5.217 1.00 0.00 N ATOM 618 CA GLU A 44 -2.104 11.957 -5.316 1.00 0.00 C ATOM 619 C GLU A 44 -0.982 11.014 -5.759 1.00 0.00 C ATOM 620 O GLU A 44 -0.237 11.305 -6.676 1.00 0.00 O ATOM 621 CB GLU A 44 -3.209 12.000 -6.371 1.00 0.00 C ATOM 622 CG GLU A 44 -4.470 12.622 -5.765 1.00 0.00 C ATOM 623 CD GLU A 44 -5.004 11.718 -4.651 1.00 0.00 C ATOM 624 OE1 GLU A 44 -5.786 10.835 -4.957 1.00 0.00 O ATOM 625 OE2 GLU A 44 -4.619 11.925 -3.513 1.00 0.00 O ATOM 0 H GLU A 44 -1.025 13.674 -5.994 1.00 0.00 H new ATOM 0 HA GLU A 44 -2.463 11.586 -4.356 1.00 0.00 H new ATOM 0 HB2 GLU A 44 -2.881 12.582 -7.232 1.00 0.00 H new ATOM 0 HB3 GLU A 44 -3.423 10.993 -6.730 1.00 0.00 H new ATOM 0 HG2 GLU A 44 -4.245 13.612 -5.367 1.00 0.00 H new ATOM 0 HG3 GLU A 44 -5.229 12.754 -6.536 1.00 0.00 H new ATOM 632 N GLU A 45 -0.867 9.880 -5.121 1.00 0.00 N ATOM 633 CA GLU A 45 0.193 8.904 -5.509 1.00 0.00 C ATOM 634 C GLU A 45 -0.319 8.015 -6.645 1.00 0.00 C ATOM 635 O GLU A 45 -1.504 7.762 -6.755 1.00 0.00 O ATOM 636 CB GLU A 45 0.454 8.076 -4.250 1.00 0.00 C ATOM 637 CG GLU A 45 1.207 8.927 -3.225 1.00 0.00 C ATOM 638 CD GLU A 45 0.876 8.439 -1.813 1.00 0.00 C ATOM 639 OE1 GLU A 45 -0.293 8.455 -1.460 1.00 0.00 O ATOM 640 OE2 GLU A 45 1.795 8.057 -1.108 1.00 0.00 O ATOM 0 H GLU A 45 -1.462 9.587 -4.346 1.00 0.00 H new ATOM 0 HA GLU A 45 1.102 9.391 -5.864 1.00 0.00 H new ATOM 0 HB2 GLU A 45 -0.489 7.730 -3.828 1.00 0.00 H new ATOM 0 HB3 GLU A 45 1.036 7.189 -4.500 1.00 0.00 H new ATOM 0 HG2 GLU A 45 2.281 8.862 -3.401 1.00 0.00 H new ATOM 0 HG3 GLU A 45 0.929 9.975 -3.333 1.00 0.00 H new ATOM 647 N PHE A 46 0.555 7.542 -7.493 1.00 0.00 N ATOM 648 CA PHE A 46 0.101 6.678 -8.620 1.00 0.00 C ATOM 649 C PHE A 46 0.892 5.368 -8.649 1.00 0.00 C ATOM 650 O PHE A 46 2.108 5.365 -8.613 1.00 0.00 O ATOM 651 CB PHE A 46 0.381 7.497 -9.880 1.00 0.00 C ATOM 652 CG PHE A 46 -0.880 8.206 -10.315 1.00 0.00 C ATOM 653 CD1 PHE A 46 -1.214 9.444 -9.754 1.00 0.00 C ATOM 654 CD2 PHE A 46 -1.714 7.626 -11.279 1.00 0.00 C ATOM 655 CE1 PHE A 46 -2.381 10.103 -10.157 1.00 0.00 C ATOM 656 CE2 PHE A 46 -2.881 8.285 -11.683 1.00 0.00 C ATOM 657 CZ PHE A 46 -3.215 9.524 -11.121 1.00 0.00 C ATOM 0 H PHE A 46 1.559 7.716 -7.454 1.00 0.00 H new ATOM 0 HA PHE A 46 -0.951 6.406 -8.529 1.00 0.00 H new ATOM 0 HB2 PHE A 46 1.170 8.224 -9.686 1.00 0.00 H new ATOM 0 HB3 PHE A 46 0.737 6.845 -10.678 1.00 0.00 H new ATOM 0 HD1 PHE A 46 -0.571 9.891 -9.010 1.00 0.00 H new ATOM 0 HD2 PHE A 46 -1.457 6.670 -11.711 1.00 0.00 H new ATOM 0 HE1 PHE A 46 -2.638 11.058 -9.724 1.00 0.00 H new ATOM 0 HE2 PHE A 46 -3.523 7.839 -12.427 1.00 0.00 H new ATOM 0 HZ PHE A 46 -4.116 10.033 -11.431 1.00 0.00 H new ATOM 667 N ALA A 47 0.209 4.258 -8.729 1.00 0.00 N ATOM 668 CA ALA A 47 0.912 2.945 -8.776 1.00 0.00 C ATOM 669 C ALA A 47 1.128 2.539 -10.235 1.00 0.00 C ATOM 670 O ALA A 47 0.195 2.472 -11.011 1.00 0.00 O ATOM 671 CB ALA A 47 -0.029 1.963 -8.078 1.00 0.00 C ATOM 0 H ALA A 47 -0.809 4.205 -8.764 1.00 0.00 H new ATOM 0 HA ALA A 47 1.890 2.973 -8.295 1.00 0.00 H new ATOM 0 HB1 ALA A 47 0.420 0.970 -8.072 1.00 0.00 H new ATOM 0 HB2 ALA A 47 -0.200 2.290 -7.052 1.00 0.00 H new ATOM 0 HB3 ALA A 47 -0.979 1.928 -8.611 1.00 0.00 H new ATOM 677 N VAL A 48 2.348 2.281 -10.619 1.00 0.00 N ATOM 678 CA VAL A 48 2.613 1.895 -12.033 1.00 0.00 C ATOM 679 C VAL A 48 3.706 0.823 -12.092 1.00 0.00 C ATOM 680 O VAL A 48 4.525 0.729 -11.200 1.00 0.00 O ATOM 681 CB VAL A 48 3.079 3.188 -12.710 1.00 0.00 C ATOM 682 CG1 VAL A 48 1.959 4.230 -12.639 1.00 0.00 C ATOM 683 CG2 VAL A 48 4.318 3.733 -11.993 1.00 0.00 C ATOM 0 H VAL A 48 3.170 2.321 -10.017 1.00 0.00 H new ATOM 0 HA VAL A 48 1.735 1.473 -12.523 1.00 0.00 H new ATOM 0 HB VAL A 48 3.326 2.979 -13.751 1.00 0.00 H new ATOM 0 HG11 VAL A 48 2.288 5.151 -13.120 1.00 0.00 H new ATOM 0 HG12 VAL A 48 1.075 3.849 -13.150 1.00 0.00 H new ATOM 0 HG13 VAL A 48 1.716 4.432 -11.596 1.00 0.00 H new ATOM 0 HG21 VAL A 48 4.645 4.652 -12.479 1.00 0.00 H new ATOM 0 HG22 VAL A 48 4.074 3.940 -10.951 1.00 0.00 H new ATOM 0 HG23 VAL A 48 5.119 2.995 -12.038 1.00 0.00 H new ATOM 693 N PRO A 49 3.684 0.043 -13.141 1.00 0.00 N ATOM 694 CA PRO A 49 4.692 -1.031 -13.300 1.00 0.00 C ATOM 695 C PRO A 49 6.071 -0.430 -13.573 1.00 0.00 C ATOM 696 O PRO A 49 6.266 0.289 -14.532 1.00 0.00 O ATOM 697 CB PRO A 49 4.185 -1.830 -14.498 1.00 0.00 C ATOM 698 CG PRO A 49 3.335 -0.872 -15.268 1.00 0.00 C ATOM 699 CD PRO A 49 2.740 0.083 -14.266 1.00 0.00 C ATOM 0 HA PRO A 49 4.807 -1.649 -12.410 1.00 0.00 H new ATOM 0 HB2 PRO A 49 5.012 -2.200 -15.104 1.00 0.00 H new ATOM 0 HB3 PRO A 49 3.610 -2.699 -14.178 1.00 0.00 H new ATOM 0 HG2 PRO A 49 3.930 -0.336 -16.008 1.00 0.00 H new ATOM 0 HG3 PRO A 49 2.552 -1.400 -15.811 1.00 0.00 H new ATOM 0 HD2 PRO A 49 2.649 1.089 -14.677 1.00 0.00 H new ATOM 0 HD3 PRO A 49 1.741 -0.228 -13.961 1.00 0.00 H new ATOM 707 N GLU A 50 7.020 -0.715 -12.719 1.00 0.00 N ATOM 708 CA GLU A 50 8.405 -0.166 -12.889 1.00 0.00 C ATOM 709 C GLU A 50 8.819 -0.118 -14.367 1.00 0.00 C ATOM 710 O GLU A 50 9.483 0.801 -14.802 1.00 0.00 O ATOM 711 CB GLU A 50 9.305 -1.127 -12.104 1.00 0.00 C ATOM 712 CG GLU A 50 9.206 -2.538 -12.693 1.00 0.00 C ATOM 713 CD GLU A 50 10.265 -2.723 -13.786 1.00 0.00 C ATOM 714 OE1 GLU A 50 10.984 -1.775 -14.061 1.00 0.00 O ATOM 715 OE2 GLU A 50 10.337 -3.812 -14.331 1.00 0.00 O ATOM 0 H GLU A 50 6.896 -1.311 -11.901 1.00 0.00 H new ATOM 0 HA GLU A 50 8.476 0.860 -12.529 1.00 0.00 H new ATOM 0 HB2 GLU A 50 10.338 -0.781 -12.139 1.00 0.00 H new ATOM 0 HB3 GLU A 50 9.009 -1.140 -11.055 1.00 0.00 H new ATOM 0 HG2 GLU A 50 9.348 -3.280 -11.907 1.00 0.00 H new ATOM 0 HG3 GLU A 50 8.211 -2.699 -13.108 1.00 0.00 H new ATOM 722 N ASN A 51 8.438 -1.097 -15.140 1.00 0.00 N ATOM 723 CA ASN A 51 8.823 -1.092 -16.582 1.00 0.00 C ATOM 724 C ASN A 51 7.805 -0.303 -17.414 1.00 0.00 C ATOM 725 O ASN A 51 7.295 -0.786 -18.407 1.00 0.00 O ATOM 726 CB ASN A 51 8.840 -2.566 -16.999 1.00 0.00 C ATOM 727 CG ASN A 51 7.450 -3.177 -16.802 1.00 0.00 C ATOM 728 OD1 ASN A 51 7.193 -3.842 -15.707 1.00 0.00 O flip ATOM 729 ND2 ASN A 51 6.591 -3.050 -17.651 1.00 0.00 N flip ATOM 0 H ASN A 51 7.880 -1.896 -14.839 1.00 0.00 H new ATOM 0 HA ASN A 51 9.789 -0.614 -16.743 1.00 0.00 H new ATOM 0 HB2 ASN A 51 9.142 -2.655 -18.043 1.00 0.00 H new ATOM 0 HB3 ASN A 51 9.575 -3.112 -16.407 1.00 0.00 H new ATOM 0 HD21 ASN A 51 6.792 -2.531 -18.506 1.00 0.00 H new ATOM 0 HD22 ASN A 51 5.669 -3.462 -17.509 1.00 0.00 H new ATOM 736 N SER A 52 7.511 0.908 -17.021 1.00 0.00 N ATOM 737 CA SER A 52 6.532 1.731 -17.793 1.00 0.00 C ATOM 738 C SER A 52 7.150 3.083 -18.160 1.00 0.00 C ATOM 739 O SER A 52 7.637 3.804 -17.310 1.00 0.00 O ATOM 740 CB SER A 52 5.343 1.922 -16.851 1.00 0.00 C ATOM 741 OG SER A 52 4.637 3.103 -17.211 1.00 0.00 O ATOM 0 H SER A 52 7.906 1.364 -16.199 1.00 0.00 H new ATOM 0 HA SER A 52 6.238 1.253 -18.727 1.00 0.00 H new ATOM 0 HB2 SER A 52 4.680 1.059 -16.905 1.00 0.00 H new ATOM 0 HB3 SER A 52 5.690 1.993 -15.820 1.00 0.00 H new ATOM 0 HG SER A 52 3.766 2.861 -17.589 1.00 0.00 H new ATOM 747 N SER A 53 7.131 3.432 -19.418 1.00 0.00 N ATOM 748 CA SER A 53 7.714 4.741 -19.839 1.00 0.00 C ATOM 749 C SER A 53 6.835 5.890 -19.338 1.00 0.00 C ATOM 750 O SER A 53 5.640 5.738 -19.171 1.00 0.00 O ATOM 751 CB SER A 53 7.727 4.701 -21.367 1.00 0.00 C ATOM 752 OG SER A 53 8.676 5.641 -21.853 1.00 0.00 O ATOM 0 H SER A 53 6.738 2.869 -20.172 1.00 0.00 H new ATOM 0 HA SER A 53 8.712 4.900 -19.431 1.00 0.00 H new ATOM 0 HB2 SER A 53 7.980 3.699 -21.714 1.00 0.00 H new ATOM 0 HB3 SER A 53 6.736 4.933 -21.757 1.00 0.00 H new ATOM 0 HG SER A 53 8.688 5.617 -22.833 1.00 0.00 H new ATOM 758 N VAL A 54 7.415 7.034 -19.094 1.00 0.00 N ATOM 759 CA VAL A 54 6.609 8.188 -18.602 1.00 0.00 C ATOM 760 C VAL A 54 5.550 8.585 -19.627 1.00 0.00 C ATOM 761 O VAL A 54 4.483 9.010 -19.269 1.00 0.00 O ATOM 762 CB VAL A 54 7.592 9.334 -18.376 1.00 0.00 C ATOM 763 CG1 VAL A 54 6.826 10.578 -17.894 1.00 0.00 C ATOM 764 CG2 VAL A 54 8.614 8.916 -17.315 1.00 0.00 C ATOM 0 H VAL A 54 8.411 7.219 -19.214 1.00 0.00 H new ATOM 0 HA VAL A 54 6.081 7.933 -17.683 1.00 0.00 H new ATOM 0 HB VAL A 54 8.107 9.567 -19.308 1.00 0.00 H new ATOM 0 HG11 VAL A 54 7.527 11.397 -17.732 1.00 0.00 H new ATOM 0 HG12 VAL A 54 6.095 10.870 -18.648 1.00 0.00 H new ATOM 0 HG13 VAL A 54 6.313 10.350 -16.960 1.00 0.00 H new ATOM 0 HG21 VAL A 54 9.319 9.730 -17.149 1.00 0.00 H new ATOM 0 HG22 VAL A 54 8.098 8.687 -16.383 1.00 0.00 H new ATOM 0 HG23 VAL A 54 9.153 8.033 -17.657 1.00 0.00 H new ATOM 774 N GLN A 55 5.838 8.474 -20.896 1.00 0.00 N ATOM 775 CA GLN A 55 4.829 8.877 -21.927 1.00 0.00 C ATOM 776 C GLN A 55 3.454 8.275 -21.601 1.00 0.00 C ATOM 777 O GLN A 55 2.439 8.943 -21.683 1.00 0.00 O ATOM 778 CB GLN A 55 5.361 8.313 -23.246 1.00 0.00 C ATOM 779 CG GLN A 55 5.166 9.344 -24.362 1.00 0.00 C ATOM 780 CD GLN A 55 4.683 8.640 -25.632 1.00 0.00 C ATOM 781 OE1 GLN A 55 5.450 7.981 -26.304 1.00 0.00 O ATOM 782 NE2 GLN A 55 3.433 8.753 -25.990 1.00 0.00 N ATOM 0 H GLN A 55 6.722 8.124 -21.265 1.00 0.00 H new ATOM 0 HA GLN A 55 4.697 9.958 -21.967 1.00 0.00 H new ATOM 0 HB2 GLN A 55 6.418 8.065 -23.147 1.00 0.00 H new ATOM 0 HB3 GLN A 55 4.839 7.389 -23.495 1.00 0.00 H new ATOM 0 HG2 GLN A 55 4.441 10.097 -24.053 1.00 0.00 H new ATOM 0 HG3 GLN A 55 6.103 9.865 -24.557 1.00 0.00 H new ATOM 0 HE21 GLN A 55 2.789 9.307 -25.425 1.00 0.00 H new ATOM 0 HE22 GLN A 55 3.100 8.288 -26.834 1.00 0.00 H new ATOM 791 N GLN A 56 3.413 7.027 -21.219 1.00 0.00 N ATOM 792 CA GLN A 56 2.103 6.394 -20.878 1.00 0.00 C ATOM 793 C GLN A 56 1.560 6.977 -19.566 1.00 0.00 C ATOM 794 O GLN A 56 0.403 7.334 -19.469 1.00 0.00 O ATOM 795 CB GLN A 56 2.412 4.904 -20.717 1.00 0.00 C ATOM 796 CG GLN A 56 1.122 4.142 -20.398 1.00 0.00 C ATOM 797 CD GLN A 56 1.079 3.809 -18.906 1.00 0.00 C ATOM 798 OE1 GLN A 56 2.090 3.484 -18.315 1.00 0.00 O ATOM 799 NE2 GLN A 56 -0.057 3.878 -18.267 1.00 0.00 N ATOM 0 H GLN A 56 4.227 6.419 -21.128 1.00 0.00 H new ATOM 0 HA GLN A 56 1.346 6.572 -21.642 1.00 0.00 H new ATOM 0 HB2 GLN A 56 2.859 4.514 -21.631 1.00 0.00 H new ATOM 0 HB3 GLN A 56 3.139 4.758 -19.919 1.00 0.00 H new ATOM 0 HG2 GLN A 56 0.255 4.743 -20.672 1.00 0.00 H new ATOM 0 HG3 GLN A 56 1.073 3.226 -20.987 1.00 0.00 H new ATOM 0 HE21 GLN A 56 -0.905 4.151 -18.763 1.00 0.00 H new ATOM 0 HE22 GLN A 56 -0.096 3.659 -17.272 1.00 0.00 H new ATOM 808 N PHE A 57 2.390 7.078 -18.561 1.00 0.00 N ATOM 809 CA PHE A 57 1.929 7.639 -17.254 1.00 0.00 C ATOM 810 C PHE A 57 1.559 9.118 -17.412 1.00 0.00 C ATOM 811 O PHE A 57 0.612 9.599 -16.819 1.00 0.00 O ATOM 812 CB PHE A 57 3.122 7.483 -16.309 1.00 0.00 C ATOM 813 CG PHE A 57 2.754 8.006 -14.941 1.00 0.00 C ATOM 814 CD1 PHE A 57 1.636 7.492 -14.273 1.00 0.00 C ATOM 815 CD2 PHE A 57 3.528 9.007 -14.341 1.00 0.00 C ATOM 816 CE1 PHE A 57 1.292 7.977 -13.006 1.00 0.00 C ATOM 817 CE2 PHE A 57 3.185 9.491 -13.073 1.00 0.00 C ATOM 818 CZ PHE A 57 2.067 8.977 -12.405 1.00 0.00 C ATOM 0 H PHE A 57 3.370 6.796 -18.588 1.00 0.00 H new ATOM 0 HA PHE A 57 1.043 7.128 -16.878 1.00 0.00 H new ATOM 0 HB2 PHE A 57 3.412 6.434 -16.243 1.00 0.00 H new ATOM 0 HB3 PHE A 57 3.982 8.028 -16.699 1.00 0.00 H new ATOM 0 HD1 PHE A 57 1.039 6.721 -14.736 1.00 0.00 H new ATOM 0 HD2 PHE A 57 4.389 9.406 -14.856 1.00 0.00 H new ATOM 0 HE1 PHE A 57 0.429 7.580 -12.492 1.00 0.00 H new ATOM 0 HE2 PHE A 57 3.783 10.262 -12.610 1.00 0.00 H new ATOM 0 HZ PHE A 57 1.802 9.351 -11.427 1.00 0.00 H new ATOM 828 N LYS A 58 2.304 9.839 -18.205 1.00 0.00 N ATOM 829 CA LYS A 58 2.011 11.285 -18.408 1.00 0.00 C ATOM 830 C LYS A 58 0.586 11.445 -18.938 1.00 0.00 C ATOM 831 O LYS A 58 -0.138 12.343 -18.553 1.00 0.00 O ATOM 832 CB LYS A 58 3.026 11.761 -19.454 1.00 0.00 C ATOM 833 CG LYS A 58 3.655 13.083 -19.000 1.00 0.00 C ATOM 834 CD LYS A 58 3.352 14.177 -20.026 1.00 0.00 C ATOM 835 CE LYS A 58 4.507 14.275 -21.027 1.00 0.00 C ATOM 836 NZ LYS A 58 4.760 15.735 -21.182 1.00 0.00 N ATOM 0 H LYS A 58 3.108 9.485 -18.724 1.00 0.00 H new ATOM 0 HA LYS A 58 2.087 11.860 -17.485 1.00 0.00 H new ATOM 0 HB2 LYS A 58 3.801 11.007 -19.592 1.00 0.00 H new ATOM 0 HB3 LYS A 58 2.534 11.893 -20.418 1.00 0.00 H new ATOM 0 HG2 LYS A 58 3.262 13.368 -18.024 1.00 0.00 H new ATOM 0 HG3 LYS A 58 4.733 12.965 -18.888 1.00 0.00 H new ATOM 0 HD2 LYS A 58 2.422 13.952 -20.549 1.00 0.00 H new ATOM 0 HD3 LYS A 58 3.211 15.133 -19.522 1.00 0.00 H new ATOM 0 HE2 LYS A 58 5.393 13.758 -20.659 1.00 0.00 H new ATOM 0 HE3 LYS A 58 4.243 13.817 -21.980 1.00 0.00 H new ATOM 0 HZ1 LYS A 58 5.231 15.911 -22.092 1.00 0.00 H new ATOM 0 HZ2 LYS A 58 3.856 16.249 -21.155 1.00 0.00 H new ATOM 0 HZ3 LYS A 58 5.370 16.066 -20.407 1.00 0.00 H new ATOM 850 N GLU A 59 0.179 10.565 -19.815 1.00 0.00 N ATOM 851 CA GLU A 59 -1.203 10.644 -20.370 1.00 0.00 C ATOM 852 C GLU A 59 -2.216 10.180 -19.318 1.00 0.00 C ATOM 853 O GLU A 59 -3.385 10.506 -19.385 1.00 0.00 O ATOM 854 CB GLU A 59 -1.203 9.695 -21.571 1.00 0.00 C ATOM 855 CG GLU A 59 -1.022 10.497 -22.862 1.00 0.00 C ATOM 856 CD GLU A 59 -2.375 10.655 -23.561 1.00 0.00 C ATOM 857 OE1 GLU A 59 -3.077 9.664 -23.678 1.00 0.00 O ATOM 858 OE2 GLU A 59 -2.684 11.763 -23.966 1.00 0.00 O ATOM 0 H GLU A 59 0.745 9.795 -20.171 1.00 0.00 H new ATOM 0 HA GLU A 59 -1.479 11.659 -20.655 1.00 0.00 H new ATOM 0 HB2 GLU A 59 -0.400 8.965 -21.470 1.00 0.00 H new ATOM 0 HB3 GLU A 59 -2.139 9.137 -21.606 1.00 0.00 H new ATOM 0 HG2 GLU A 59 -0.600 11.477 -22.638 1.00 0.00 H new ATOM 0 HG3 GLU A 59 -0.317 9.990 -23.521 1.00 0.00 H new ATOM 865 N ALA A 60 -1.774 9.427 -18.342 1.00 0.00 N ATOM 866 CA ALA A 60 -2.711 8.949 -17.285 1.00 0.00 C ATOM 867 C ALA A 60 -3.205 10.135 -16.455 1.00 0.00 C ATOM 868 O ALA A 60 -4.391 10.317 -16.258 1.00 0.00 O ATOM 869 CB ALA A 60 -1.887 7.995 -16.419 1.00 0.00 C ATOM 0 H ALA A 60 -0.806 9.124 -18.233 1.00 0.00 H new ATOM 0 HA ALA A 60 -3.590 8.457 -17.702 1.00 0.00 H new ATOM 0 HB1 ALA A 60 -2.511 7.601 -15.617 1.00 0.00 H new ATOM 0 HB2 ALA A 60 -1.521 7.171 -17.032 1.00 0.00 H new ATOM 0 HB3 ALA A 60 -1.041 8.532 -15.990 1.00 0.00 H new ATOM 875 N ILE A 61 -2.303 10.947 -15.976 1.00 0.00 N ATOM 876 CA ILE A 61 -2.717 12.129 -15.165 1.00 0.00 C ATOM 877 C ILE A 61 -3.556 13.075 -16.032 1.00 0.00 C ATOM 878 O ILE A 61 -4.499 13.684 -15.571 1.00 0.00 O ATOM 879 CB ILE A 61 -1.394 12.781 -14.721 1.00 0.00 C ATOM 880 CG1 ILE A 61 -0.988 12.205 -13.361 1.00 0.00 C ATOM 881 CG2 ILE A 61 -1.547 14.303 -14.592 1.00 0.00 C ATOM 882 CD1 ILE A 61 0.375 12.767 -12.953 1.00 0.00 C ATOM 0 H ILE A 61 -1.297 10.844 -16.111 1.00 0.00 H new ATOM 0 HA ILE A 61 -3.334 11.869 -14.305 1.00 0.00 H new ATOM 0 HB ILE A 61 -0.632 12.570 -15.472 1.00 0.00 H new ATOM 0 HG12 ILE A 61 -1.736 12.457 -12.610 1.00 0.00 H new ATOM 0 HG13 ILE A 61 -0.943 11.117 -13.414 1.00 0.00 H new ATOM 0 HG21 ILE A 61 -0.599 14.739 -14.277 1.00 0.00 H new ATOM 0 HG22 ILE A 61 -1.837 14.722 -15.555 1.00 0.00 H new ATOM 0 HG23 ILE A 61 -2.314 14.530 -13.852 1.00 0.00 H new ATOM 0 HD11 ILE A 61 0.663 12.357 -11.985 1.00 0.00 H new ATOM 0 HD12 ILE A 61 1.120 12.492 -13.700 1.00 0.00 H new ATOM 0 HD13 ILE A 61 0.315 13.853 -12.883 1.00 0.00 H new ATOM 894 N SER A 62 -3.221 13.197 -17.287 1.00 0.00 N ATOM 895 CA SER A 62 -4.000 14.103 -18.182 1.00 0.00 C ATOM 896 C SER A 62 -5.492 13.761 -18.127 1.00 0.00 C ATOM 897 O SER A 62 -6.333 14.633 -18.041 1.00 0.00 O ATOM 898 CB SER A 62 -3.445 13.849 -19.583 1.00 0.00 C ATOM 899 OG SER A 62 -4.252 14.529 -20.538 1.00 0.00 O ATOM 0 H SER A 62 -2.443 12.710 -17.732 1.00 0.00 H new ATOM 0 HA SER A 62 -3.907 15.148 -17.887 1.00 0.00 H new ATOM 0 HB2 SER A 62 -2.414 14.197 -19.647 1.00 0.00 H new ATOM 0 HB3 SER A 62 -3.434 12.780 -19.794 1.00 0.00 H new ATOM 0 HG SER A 62 -3.837 15.387 -20.765 1.00 0.00 H new ATOM 905 N LYS A 63 -5.829 12.500 -18.187 1.00 0.00 N ATOM 906 CA LYS A 63 -7.270 12.111 -18.150 1.00 0.00 C ATOM 907 C LYS A 63 -7.892 12.401 -16.776 1.00 0.00 C ATOM 908 O LYS A 63 -8.899 13.075 -16.675 1.00 0.00 O ATOM 909 CB LYS A 63 -7.280 10.607 -18.431 1.00 0.00 C ATOM 910 CG LYS A 63 -8.443 10.263 -19.367 1.00 0.00 C ATOM 911 CD LYS A 63 -7.934 9.401 -20.526 1.00 0.00 C ATOM 912 CE LYS A 63 -8.109 7.921 -20.178 1.00 0.00 C ATOM 913 NZ LYS A 63 -7.055 7.217 -20.960 1.00 0.00 N ATOM 0 H LYS A 63 -5.171 11.724 -18.260 1.00 0.00 H new ATOM 0 HA LYS A 63 -7.856 12.675 -18.876 1.00 0.00 H new ATOM 0 HB2 LYS A 63 -6.335 10.306 -18.884 1.00 0.00 H new ATOM 0 HB3 LYS A 63 -7.377 10.054 -17.497 1.00 0.00 H new ATOM 0 HG2 LYS A 63 -9.219 9.730 -18.818 1.00 0.00 H new ATOM 0 HG3 LYS A 63 -8.895 11.177 -19.752 1.00 0.00 H new ATOM 0 HD2 LYS A 63 -8.482 9.638 -21.438 1.00 0.00 H new ATOM 0 HD3 LYS A 63 -6.884 9.618 -20.720 1.00 0.00 H new ATOM 0 HE2 LYS A 63 -7.988 7.750 -19.108 1.00 0.00 H new ATOM 0 HE3 LYS A 63 -9.104 7.567 -20.447 1.00 0.00 H new ATOM 0 HZ1 LYS A 63 -7.110 6.195 -20.775 1.00 0.00 H new ATOM 0 HZ2 LYS A 63 -7.200 7.393 -21.975 1.00 0.00 H new ATOM 0 HZ3 LYS A 63 -6.119 7.570 -20.677 1.00 0.00 H new ATOM 927 N ARG A 64 -7.313 11.888 -15.720 1.00 0.00 N ATOM 928 CA ARG A 64 -7.892 12.128 -14.360 1.00 0.00 C ATOM 929 C ARG A 64 -7.651 13.570 -13.899 1.00 0.00 C ATOM 930 O ARG A 64 -8.572 14.276 -13.537 1.00 0.00 O ATOM 931 CB ARG A 64 -7.163 11.147 -13.441 1.00 0.00 C ATOM 932 CG ARG A 64 -7.970 10.955 -12.155 1.00 0.00 C ATOM 933 CD ARG A 64 -7.879 9.496 -11.704 1.00 0.00 C ATOM 934 NE ARG A 64 -7.894 9.551 -10.214 1.00 0.00 N ATOM 935 CZ ARG A 64 -8.297 8.517 -9.528 1.00 0.00 C ATOM 936 NH1 ARG A 64 -9.570 8.335 -9.307 1.00 0.00 N ATOM 937 NH2 ARG A 64 -7.424 7.666 -9.059 1.00 0.00 N ATOM 0 H ARG A 64 -6.469 11.316 -15.738 1.00 0.00 H new ATOM 0 HA ARG A 64 -8.972 11.981 -14.353 1.00 0.00 H new ATOM 0 HB2 ARG A 64 -7.030 10.190 -13.946 1.00 0.00 H new ATOM 0 HB3 ARG A 64 -6.168 11.524 -13.205 1.00 0.00 H new ATOM 0 HG2 ARG A 64 -7.589 11.612 -11.373 1.00 0.00 H new ATOM 0 HG3 ARG A 64 -9.011 11.230 -12.323 1.00 0.00 H new ATOM 0 HD2 ARG A 64 -8.716 8.912 -12.086 1.00 0.00 H new ATOM 0 HD3 ARG A 64 -6.968 9.025 -12.072 1.00 0.00 H new ATOM 0 HE ARG A 64 -7.589 10.396 -9.731 1.00 0.00 H new ATOM 0 HH11 ARG A 64 -10.251 9.001 -9.671 1.00 0.00 H new ATOM 0 HH12 ARG A 64 -9.884 7.526 -8.771 1.00 0.00 H new ATOM 0 HH21 ARG A 64 -6.429 7.810 -9.229 1.00 0.00 H new ATOM 0 HH22 ARG A 64 -7.738 6.857 -8.522 1.00 0.00 H new ATOM 951 N PHE A 65 -6.422 14.007 -13.903 1.00 0.00 N ATOM 952 CA PHE A 65 -6.115 15.401 -13.458 1.00 0.00 C ATOM 953 C PHE A 65 -6.677 16.420 -14.454 1.00 0.00 C ATOM 954 O PHE A 65 -7.125 17.484 -14.076 1.00 0.00 O ATOM 955 CB PHE A 65 -4.587 15.483 -13.395 1.00 0.00 C ATOM 956 CG PHE A 65 -4.150 15.717 -11.968 1.00 0.00 C ATOM 957 CD1 PHE A 65 -4.663 16.801 -11.245 1.00 0.00 C ATOM 958 CD2 PHE A 65 -3.233 14.846 -11.367 1.00 0.00 C ATOM 959 CE1 PHE A 65 -4.258 17.014 -9.921 1.00 0.00 C ATOM 960 CE2 PHE A 65 -2.828 15.058 -10.044 1.00 0.00 C ATOM 961 CZ PHE A 65 -3.340 16.142 -9.322 1.00 0.00 C ATOM 0 H PHE A 65 -5.613 13.459 -14.196 1.00 0.00 H new ATOM 0 HA PHE A 65 -6.568 15.628 -12.493 1.00 0.00 H new ATOM 0 HB2 PHE A 65 -4.147 14.560 -13.774 1.00 0.00 H new ATOM 0 HB3 PHE A 65 -4.230 16.292 -14.033 1.00 0.00 H new ATOM 0 HD1 PHE A 65 -5.371 17.473 -11.708 1.00 0.00 H new ATOM 0 HD2 PHE A 65 -2.838 14.010 -11.925 1.00 0.00 H new ATOM 0 HE1 PHE A 65 -4.653 17.850 -9.363 1.00 0.00 H new ATOM 0 HE2 PHE A 65 -2.121 14.386 -9.581 1.00 0.00 H new ATOM 0 HZ PHE A 65 -3.027 16.306 -8.302 1.00 0.00 H new ATOM 971 N LYS A 66 -6.638 16.106 -15.726 1.00 0.00 N ATOM 972 CA LYS A 66 -7.152 17.051 -16.770 1.00 0.00 C ATOM 973 C LYS A 66 -6.200 18.241 -16.913 1.00 0.00 C ATOM 974 O LYS A 66 -6.442 19.311 -16.393 1.00 0.00 O ATOM 975 CB LYS A 66 -8.532 17.514 -16.284 1.00 0.00 C ATOM 976 CG LYS A 66 -9.409 17.855 -17.489 1.00 0.00 C ATOM 977 CD LYS A 66 -10.244 16.633 -17.875 1.00 0.00 C ATOM 978 CE LYS A 66 -11.505 17.086 -18.615 1.00 0.00 C ATOM 979 NZ LYS A 66 -11.643 16.138 -19.755 1.00 0.00 N ATOM 0 H LYS A 66 -6.269 15.228 -16.090 1.00 0.00 H new ATOM 0 HA LYS A 66 -7.222 16.574 -17.748 1.00 0.00 H new ATOM 0 HB2 LYS A 66 -9.002 16.731 -15.689 1.00 0.00 H new ATOM 0 HB3 LYS A 66 -8.428 18.386 -15.638 1.00 0.00 H new ATOM 0 HG2 LYS A 66 -10.062 18.694 -17.251 1.00 0.00 H new ATOM 0 HG3 LYS A 66 -8.787 18.164 -18.329 1.00 0.00 H new ATOM 0 HD2 LYS A 66 -9.659 15.965 -18.507 1.00 0.00 H new ATOM 0 HD3 LYS A 66 -10.516 16.069 -16.983 1.00 0.00 H new ATOM 0 HE2 LYS A 66 -12.379 17.051 -17.964 1.00 0.00 H new ATOM 0 HE3 LYS A 66 -11.410 18.114 -18.965 1.00 0.00 H new ATOM 0 HZ1 LYS A 66 -12.487 16.384 -20.311 1.00 0.00 H new ATOM 0 HZ2 LYS A 66 -10.800 16.198 -20.361 1.00 0.00 H new ATOM 0 HZ3 LYS A 66 -11.739 15.169 -19.391 1.00 0.00 H new ATOM 993 N SER A 67 -5.114 18.051 -17.616 1.00 0.00 N ATOM 994 CA SER A 67 -4.133 19.160 -17.800 1.00 0.00 C ATOM 995 C SER A 67 -3.752 19.285 -19.281 1.00 0.00 C ATOM 996 O SER A 67 -4.526 18.954 -20.157 1.00 0.00 O ATOM 997 CB SER A 67 -2.921 18.754 -16.962 1.00 0.00 C ATOM 998 OG SER A 67 -2.098 19.893 -16.743 1.00 0.00 O ATOM 0 H SER A 67 -4.864 17.173 -18.071 1.00 0.00 H new ATOM 0 HA SER A 67 -4.533 20.127 -17.494 1.00 0.00 H new ATOM 0 HB2 SER A 67 -3.247 18.338 -16.009 1.00 0.00 H new ATOM 0 HB3 SER A 67 -2.355 17.975 -17.473 1.00 0.00 H new ATOM 0 HG SER A 67 -1.761 19.881 -15.823 1.00 0.00 H new ATOM 1004 N GLN A 68 -2.567 19.761 -19.564 1.00 0.00 N ATOM 1005 CA GLN A 68 -2.140 19.908 -20.988 1.00 0.00 C ATOM 1006 C GLN A 68 -1.383 18.659 -21.455 1.00 0.00 C ATOM 1007 O GLN A 68 -1.223 18.433 -22.638 1.00 0.00 O ATOM 1008 CB GLN A 68 -1.217 21.128 -20.999 1.00 0.00 C ATOM 1009 CG GLN A 68 -1.969 22.337 -21.561 1.00 0.00 C ATOM 1010 CD GLN A 68 -0.996 23.228 -22.336 1.00 0.00 C ATOM 1011 OE1 GLN A 68 -0.654 24.305 -21.888 1.00 0.00 O ATOM 1012 NE2 GLN A 68 -0.534 22.824 -23.487 1.00 0.00 N ATOM 0 H GLN A 68 -1.877 20.054 -18.872 1.00 0.00 H new ATOM 0 HA GLN A 68 -2.990 20.029 -21.660 1.00 0.00 H new ATOM 0 HB2 GLN A 68 -0.868 21.342 -19.989 1.00 0.00 H new ATOM 0 HB3 GLN A 68 -0.334 20.923 -21.604 1.00 0.00 H new ATOM 0 HG2 GLN A 68 -2.775 22.005 -22.215 1.00 0.00 H new ATOM 0 HG3 GLN A 68 -2.429 22.902 -20.750 1.00 0.00 H new ATOM 0 HE21 GLN A 68 -0.821 21.920 -23.863 1.00 0.00 H new ATOM 0 HE22 GLN A 68 0.114 23.412 -24.011 1.00 0.00 H new ATOM 1021 N THR A 69 -0.918 17.848 -20.534 1.00 0.00 N ATOM 1022 CA THR A 69 -0.165 16.607 -20.910 1.00 0.00 C ATOM 1023 C THR A 69 1.166 16.968 -21.581 1.00 0.00 C ATOM 1024 O THR A 69 2.226 16.709 -21.048 1.00 0.00 O ATOM 1025 CB THR A 69 -1.072 15.843 -21.882 1.00 0.00 C ATOM 1026 OG1 THR A 69 -2.425 15.975 -21.469 1.00 0.00 O ATOM 1027 CG2 THR A 69 -0.681 14.364 -21.890 1.00 0.00 C ATOM 0 H THR A 69 -1.028 17.993 -19.530 1.00 0.00 H new ATOM 0 HA THR A 69 0.076 16.004 -20.034 1.00 0.00 H new ATOM 0 HB THR A 69 -0.957 16.253 -22.885 1.00 0.00 H new ATOM 0 HG1 THR A 69 -3.013 15.922 -22.251 1.00 0.00 H new ATOM 0 HG21 THR A 69 -1.326 13.821 -22.581 1.00 0.00 H new ATOM 0 HG22 THR A 69 0.357 14.264 -22.207 1.00 0.00 H new ATOM 0 HG23 THR A 69 -0.795 13.952 -20.887 1.00 0.00 H new ATOM 1035 N ASP A 70 1.122 17.565 -22.744 1.00 0.00 N ATOM 1036 CA ASP A 70 2.389 17.942 -23.444 1.00 0.00 C ATOM 1037 C ASP A 70 3.259 18.811 -22.529 1.00 0.00 C ATOM 1038 O ASP A 70 4.348 18.430 -22.148 1.00 0.00 O ATOM 1039 CB ASP A 70 1.943 18.736 -24.673 1.00 0.00 C ATOM 1040 CG ASP A 70 2.923 18.494 -25.822 1.00 0.00 C ATOM 1041 OD1 ASP A 70 4.004 19.058 -25.782 1.00 0.00 O ATOM 1042 OD2 ASP A 70 2.575 17.749 -26.724 1.00 0.00 O ATOM 0 H ASP A 70 0.265 17.808 -23.240 1.00 0.00 H new ATOM 0 HA ASP A 70 2.985 17.071 -23.717 1.00 0.00 H new ATOM 0 HB2 ASP A 70 0.938 18.434 -24.969 1.00 0.00 H new ATOM 0 HB3 ASP A 70 1.900 19.799 -24.436 1.00 0.00 H new ATOM 1047 N GLN A 71 2.781 19.972 -22.172 1.00 0.00 N ATOM 1048 CA GLN A 71 3.573 20.866 -21.277 1.00 0.00 C ATOM 1049 C GLN A 71 3.656 20.261 -19.871 1.00 0.00 C ATOM 1050 O GLN A 71 4.571 20.536 -19.120 1.00 0.00 O ATOM 1051 CB GLN A 71 2.798 22.185 -21.247 1.00 0.00 C ATOM 1052 CG GLN A 71 2.997 22.925 -22.571 1.00 0.00 C ATOM 1053 CD GLN A 71 2.802 24.428 -22.353 1.00 0.00 C ATOM 1054 OE1 GLN A 71 2.185 24.840 -21.390 1.00 0.00 O ATOM 1055 NE2 GLN A 71 3.306 25.271 -23.213 1.00 0.00 N ATOM 0 H GLN A 71 1.875 20.341 -22.461 1.00 0.00 H new ATOM 0 HA GLN A 71 4.596 21.003 -21.628 1.00 0.00 H new ATOM 0 HB2 GLN A 71 1.738 21.992 -21.082 1.00 0.00 H new ATOM 0 HB3 GLN A 71 3.143 22.803 -20.418 1.00 0.00 H new ATOM 0 HG2 GLN A 71 3.996 22.730 -22.962 1.00 0.00 H new ATOM 0 HG3 GLN A 71 2.288 22.560 -23.314 1.00 0.00 H new ATOM 0 HE21 GLN A 71 3.824 24.926 -24.021 1.00 0.00 H new ATOM 0 HE22 GLN A 71 3.182 26.274 -23.077 1.00 0.00 H new ATOM 1064 N LEU A 72 2.702 19.444 -19.511 1.00 0.00 N ATOM 1065 CA LEU A 72 2.713 18.822 -18.152 1.00 0.00 C ATOM 1066 C LEU A 72 4.022 18.059 -17.912 1.00 0.00 C ATOM 1067 O LEU A 72 4.158 16.909 -18.280 1.00 0.00 O ATOM 1068 CB LEU A 72 1.524 17.859 -18.150 1.00 0.00 C ATOM 1069 CG LEU A 72 1.421 17.179 -16.783 1.00 0.00 C ATOM 1070 CD1 LEU A 72 1.052 18.219 -15.724 1.00 0.00 C ATOM 1071 CD2 LEU A 72 0.341 16.096 -16.832 1.00 0.00 C ATOM 0 H LEU A 72 1.913 19.179 -20.100 1.00 0.00 H new ATOM 0 HA LEU A 72 2.641 19.569 -17.362 1.00 0.00 H new ATOM 0 HB2 LEU A 72 0.604 18.400 -18.369 1.00 0.00 H new ATOM 0 HB3 LEU A 72 1.647 17.110 -18.932 1.00 0.00 H new ATOM 0 HG LEU A 72 2.379 16.725 -16.529 1.00 0.00 H new ATOM 0 HD11 LEU A 72 0.978 17.736 -14.750 1.00 0.00 H new ATOM 0 HD12 LEU A 72 1.821 18.991 -15.689 1.00 0.00 H new ATOM 0 HD13 LEU A 72 0.094 18.672 -15.978 1.00 0.00 H new ATOM 0 HD21 LEU A 72 0.267 15.611 -15.858 1.00 0.00 H new ATOM 0 HD22 LEU A 72 -0.617 16.549 -17.085 1.00 0.00 H new ATOM 0 HD23 LEU A 72 0.603 15.355 -17.587 1.00 0.00 H new ATOM 1083 N VAL A 73 4.977 18.691 -17.285 1.00 0.00 N ATOM 1084 CA VAL A 73 6.275 18.009 -17.001 1.00 0.00 C ATOM 1085 C VAL A 73 6.537 18.028 -15.492 1.00 0.00 C ATOM 1086 O VAL A 73 6.045 18.887 -14.786 1.00 0.00 O ATOM 1087 CB VAL A 73 7.330 18.833 -17.742 1.00 0.00 C ATOM 1088 CG1 VAL A 73 8.714 18.222 -17.512 1.00 0.00 C ATOM 1089 CG2 VAL A 73 7.017 18.833 -19.243 1.00 0.00 C ATOM 0 H VAL A 73 4.915 19.654 -16.955 1.00 0.00 H new ATOM 0 HA VAL A 73 6.284 16.967 -17.322 1.00 0.00 H new ATOM 0 HB VAL A 73 7.318 19.856 -17.366 1.00 0.00 H new ATOM 0 HG11 VAL A 73 9.464 18.810 -18.041 1.00 0.00 H new ATOM 0 HG12 VAL A 73 8.939 18.222 -16.445 1.00 0.00 H new ATOM 0 HG13 VAL A 73 8.726 17.198 -17.886 1.00 0.00 H new ATOM 0 HG21 VAL A 73 7.768 19.420 -19.771 1.00 0.00 H new ATOM 0 HG22 VAL A 73 7.027 17.809 -19.617 1.00 0.00 H new ATOM 0 HG23 VAL A 73 6.032 19.270 -19.409 1.00 0.00 H new ATOM 1099 N LEU A 74 7.302 17.095 -14.985 1.00 0.00 N ATOM 1100 CA LEU A 74 7.571 17.087 -13.519 1.00 0.00 C ATOM 1101 C LEU A 74 9.055 17.342 -13.250 1.00 0.00 C ATOM 1102 O LEU A 74 9.915 16.862 -13.960 1.00 0.00 O ATOM 1103 CB LEU A 74 7.168 15.691 -13.054 1.00 0.00 C ATOM 1104 CG LEU A 74 5.672 15.666 -12.725 1.00 0.00 C ATOM 1105 CD1 LEU A 74 4.971 14.643 -13.621 1.00 0.00 C ATOM 1106 CD2 LEU A 74 5.481 15.274 -11.258 1.00 0.00 C ATOM 0 H LEU A 74 7.747 16.347 -15.517 1.00 0.00 H new ATOM 0 HA LEU A 74 7.020 17.866 -12.992 1.00 0.00 H new ATOM 0 HB2 LEU A 74 7.391 14.960 -13.831 1.00 0.00 H new ATOM 0 HB3 LEU A 74 7.748 15.409 -12.175 1.00 0.00 H new ATOM 0 HG LEU A 74 5.244 16.654 -12.897 1.00 0.00 H new ATOM 0 HD11 LEU A 74 3.906 14.624 -13.388 1.00 0.00 H new ATOM 0 HD12 LEU A 74 5.109 14.920 -14.666 1.00 0.00 H new ATOM 0 HD13 LEU A 74 5.398 13.655 -13.448 1.00 0.00 H new ATOM 0 HD21 LEU A 74 4.417 15.256 -11.022 1.00 0.00 H new ATOM 0 HD22 LEU A 74 5.908 14.286 -11.087 1.00 0.00 H new ATOM 0 HD23 LEU A 74 5.982 16.001 -10.619 1.00 0.00 H new ATOM 1118 N ILE A 75 9.360 18.097 -12.229 1.00 0.00 N ATOM 1119 CA ILE A 75 10.788 18.386 -11.912 1.00 0.00 C ATOM 1120 C ILE A 75 11.305 17.397 -10.866 1.00 0.00 C ATOM 1121 O ILE A 75 11.079 17.559 -9.682 1.00 0.00 O ATOM 1122 CB ILE A 75 10.795 19.812 -11.356 1.00 0.00 C ATOM 1123 CG1 ILE A 75 10.187 20.772 -12.386 1.00 0.00 C ATOM 1124 CG2 ILE A 75 12.235 20.236 -11.052 1.00 0.00 C ATOM 1125 CD1 ILE A 75 10.958 20.674 -13.703 1.00 0.00 C ATOM 0 H ILE A 75 8.681 18.526 -11.600 1.00 0.00 H new ATOM 0 HA ILE A 75 11.432 18.290 -12.786 1.00 0.00 H new ATOM 0 HB ILE A 75 10.205 19.844 -10.440 1.00 0.00 H new ATOM 0 HG12 ILE A 75 9.137 20.528 -12.549 1.00 0.00 H new ATOM 0 HG13 ILE A 75 10.221 21.794 -12.009 1.00 0.00 H new ATOM 0 HG21 ILE A 75 12.239 21.252 -10.656 1.00 0.00 H new ATOM 0 HG22 ILE A 75 12.666 19.558 -10.316 1.00 0.00 H new ATOM 0 HG23 ILE A 75 12.826 20.201 -11.967 1.00 0.00 H new ATOM 0 HD11 ILE A 75 10.522 21.358 -14.431 1.00 0.00 H new ATOM 0 HD12 ILE A 75 12.001 20.940 -13.534 1.00 0.00 H new ATOM 0 HD13 ILE A 75 10.901 19.654 -14.083 1.00 0.00 H new ATOM 1137 N PHE A 76 11.993 16.375 -11.296 1.00 0.00 N ATOM 1138 CA PHE A 76 12.528 15.370 -10.328 1.00 0.00 C ATOM 1139 C PHE A 76 13.638 15.990 -9.473 1.00 0.00 C ATOM 1140 O PHE A 76 14.804 15.688 -9.639 1.00 0.00 O ATOM 1141 CB PHE A 76 13.089 14.239 -11.194 1.00 0.00 C ATOM 1142 CG PHE A 76 13.587 13.128 -10.303 1.00 0.00 C ATOM 1143 CD1 PHE A 76 12.675 12.339 -9.590 1.00 0.00 C ATOM 1144 CD2 PHE A 76 14.961 12.889 -10.183 1.00 0.00 C ATOM 1145 CE1 PHE A 76 13.138 11.311 -8.760 1.00 0.00 C ATOM 1146 CE2 PHE A 76 15.424 11.861 -9.354 1.00 0.00 C ATOM 1147 CZ PHE A 76 14.513 11.072 -8.642 1.00 0.00 C ATOM 0 H PHE A 76 12.209 16.191 -12.276 1.00 0.00 H new ATOM 0 HA PHE A 76 11.760 15.015 -9.641 1.00 0.00 H new ATOM 0 HB2 PHE A 76 12.317 13.863 -11.866 1.00 0.00 H new ATOM 0 HB3 PHE A 76 13.901 14.612 -11.818 1.00 0.00 H new ATOM 0 HD1 PHE A 76 11.615 12.524 -9.681 1.00 0.00 H new ATOM 0 HD2 PHE A 76 15.664 13.499 -10.731 1.00 0.00 H new ATOM 0 HE1 PHE A 76 12.435 10.702 -8.211 1.00 0.00 H new ATOM 0 HE2 PHE A 76 16.484 11.676 -9.264 1.00 0.00 H new ATOM 0 HZ PHE A 76 14.870 10.279 -8.002 1.00 0.00 H new ATOM 1157 N ALA A 77 13.284 16.854 -8.556 1.00 0.00 N ATOM 1158 CA ALA A 77 14.313 17.497 -7.681 1.00 0.00 C ATOM 1159 C ALA A 77 15.445 18.090 -8.527 1.00 0.00 C ATOM 1160 O ALA A 77 16.603 18.028 -8.161 1.00 0.00 O ATOM 1161 CB ALA A 77 14.842 16.370 -6.792 1.00 0.00 C ATOM 0 H ALA A 77 12.323 17.143 -8.374 1.00 0.00 H new ATOM 0 HA ALA A 77 13.896 18.317 -7.096 1.00 0.00 H new ATOM 0 HB1 ALA A 77 15.604 16.764 -6.120 1.00 0.00 H new ATOM 0 HB2 ALA A 77 14.022 15.953 -6.207 1.00 0.00 H new ATOM 0 HB3 ALA A 77 15.277 15.589 -7.415 1.00 0.00 H new ATOM 1167 N GLY A 78 15.118 18.662 -9.654 1.00 0.00 N ATOM 1168 CA GLY A 78 16.173 19.256 -10.525 1.00 0.00 C ATOM 1169 C GLY A 78 16.057 18.674 -11.934 1.00 0.00 C ATOM 1170 O GLY A 78 16.027 19.393 -12.913 1.00 0.00 O ATOM 0 H GLY A 78 14.165 18.744 -10.010 1.00 0.00 H new ATOM 0 HA2 GLY A 78 16.065 20.340 -10.558 1.00 0.00 H new ATOM 0 HA3 GLY A 78 17.160 19.046 -10.113 1.00 0.00 H new ATOM 1174 N LYS A 79 15.990 17.373 -12.045 1.00 0.00 N ATOM 1175 CA LYS A 79 15.873 16.742 -13.393 1.00 0.00 C ATOM 1176 C LYS A 79 14.456 16.939 -13.942 1.00 0.00 C ATOM 1177 O LYS A 79 13.721 17.794 -13.488 1.00 0.00 O ATOM 1178 CB LYS A 79 16.164 15.254 -13.169 1.00 0.00 C ATOM 1179 CG LYS A 79 17.435 14.859 -13.923 1.00 0.00 C ATOM 1180 CD LYS A 79 18.636 14.939 -12.978 1.00 0.00 C ATOM 1181 CE LYS A 79 19.616 13.808 -13.300 1.00 0.00 C ATOM 1182 NZ LYS A 79 20.964 14.379 -13.025 1.00 0.00 N ATOM 0 H LYS A 79 16.011 16.721 -11.261 1.00 0.00 H new ATOM 0 HA LYS A 79 16.560 17.181 -14.116 1.00 0.00 H new ATOM 0 HB2 LYS A 79 16.284 15.053 -12.104 1.00 0.00 H new ATOM 0 HB3 LYS A 79 15.323 14.653 -13.514 1.00 0.00 H new ATOM 0 HG2 LYS A 79 17.337 13.848 -14.318 1.00 0.00 H new ATOM 0 HG3 LYS A 79 17.585 15.521 -14.776 1.00 0.00 H new ATOM 0 HD2 LYS A 79 19.131 15.904 -13.083 1.00 0.00 H new ATOM 0 HD3 LYS A 79 18.303 14.862 -11.943 1.00 0.00 H new ATOM 0 HE2 LYS A 79 19.425 12.931 -12.681 1.00 0.00 H new ATOM 0 HE3 LYS A 79 19.526 13.491 -14.339 1.00 0.00 H new ATOM 0 HZ1 LYS A 79 21.691 13.662 -13.223 1.00 0.00 H new ATOM 0 HZ2 LYS A 79 21.121 15.208 -13.633 1.00 0.00 H new ATOM 0 HZ3 LYS A 79 21.023 14.666 -12.027 1.00 0.00 H new ATOM 1196 N ILE A 80 14.070 16.156 -14.912 1.00 0.00 N ATOM 1197 CA ILE A 80 12.700 16.302 -15.488 1.00 0.00 C ATOM 1198 C ILE A 80 11.964 14.965 -15.476 1.00 0.00 C ATOM 1199 O ILE A 80 12.069 14.189 -16.405 1.00 0.00 O ATOM 1200 CB ILE A 80 12.873 16.780 -16.944 1.00 0.00 C ATOM 1201 CG1 ILE A 80 14.262 16.412 -17.488 1.00 0.00 C ATOM 1202 CG2 ILE A 80 12.699 18.298 -17.003 1.00 0.00 C ATOM 1203 CD1 ILE A 80 14.354 14.898 -17.683 1.00 0.00 C ATOM 0 H ILE A 80 14.642 15.422 -15.331 1.00 0.00 H new ATOM 0 HA ILE A 80 12.116 17.010 -14.901 1.00 0.00 H new ATOM 0 HB ILE A 80 12.119 16.287 -17.557 1.00 0.00 H new ATOM 0 HG12 ILE A 80 14.439 16.922 -18.435 1.00 0.00 H new ATOM 0 HG13 ILE A 80 15.035 16.747 -16.796 1.00 0.00 H new ATOM 0 HG21 ILE A 80 12.821 18.639 -18.031 1.00 0.00 H new ATOM 0 HG22 ILE A 80 11.703 18.564 -16.648 1.00 0.00 H new ATOM 0 HG23 ILE A 80 13.449 18.775 -16.372 1.00 0.00 H new ATOM 0 HD11 ILE A 80 15.340 14.640 -18.069 1.00 0.00 H new ATOM 0 HD12 ILE A 80 14.196 14.398 -16.728 1.00 0.00 H new ATOM 0 HD13 ILE A 80 13.591 14.575 -18.392 1.00 0.00 H new ATOM 1215 N LEU A 81 11.191 14.694 -14.455 1.00 0.00 N ATOM 1216 CA LEU A 81 10.434 13.414 -14.443 1.00 0.00 C ATOM 1217 C LEU A 81 9.446 13.448 -15.607 1.00 0.00 C ATOM 1218 O LEU A 81 8.334 13.929 -15.485 1.00 0.00 O ATOM 1219 CB LEU A 81 9.710 13.369 -13.096 1.00 0.00 C ATOM 1220 CG LEU A 81 9.113 11.976 -12.881 1.00 0.00 C ATOM 1221 CD1 LEU A 81 9.198 11.604 -11.398 1.00 0.00 C ATOM 1222 CD2 LEU A 81 7.646 11.977 -13.320 1.00 0.00 C ATOM 0 H LEU A 81 11.055 15.296 -13.643 1.00 0.00 H new ATOM 0 HA LEU A 81 11.065 12.533 -14.557 1.00 0.00 H new ATOM 0 HB2 LEU A 81 10.405 13.607 -12.290 1.00 0.00 H new ATOM 0 HB3 LEU A 81 8.922 14.122 -13.070 1.00 0.00 H new ATOM 0 HG LEU A 81 9.671 11.249 -13.471 1.00 0.00 H new ATOM 0 HD11 LEU A 81 8.772 10.612 -11.247 1.00 0.00 H new ATOM 0 HD12 LEU A 81 10.241 11.603 -11.082 1.00 0.00 H new ATOM 0 HD13 LEU A 81 8.641 12.332 -10.808 1.00 0.00 H new ATOM 0 HD21 LEU A 81 7.220 10.985 -13.167 1.00 0.00 H new ATOM 0 HD22 LEU A 81 7.090 12.706 -12.730 1.00 0.00 H new ATOM 0 HD23 LEU A 81 7.582 12.241 -14.376 1.00 0.00 H new ATOM 1234 N LYS A 82 9.872 12.984 -16.749 1.00 0.00 N ATOM 1235 CA LYS A 82 8.995 13.016 -17.947 1.00 0.00 C ATOM 1236 C LYS A 82 9.377 11.890 -18.911 1.00 0.00 C ATOM 1237 O LYS A 82 9.923 10.881 -18.515 1.00 0.00 O ATOM 1238 CB LYS A 82 9.267 14.383 -18.581 1.00 0.00 C ATOM 1239 CG LYS A 82 8.020 14.864 -19.326 1.00 0.00 C ATOM 1240 CD LYS A 82 8.422 15.438 -20.690 1.00 0.00 C ATOM 1241 CE LYS A 82 9.364 16.631 -20.496 1.00 0.00 C ATOM 1242 NZ LYS A 82 10.660 16.201 -21.093 1.00 0.00 N ATOM 0 H LYS A 82 10.797 12.582 -16.902 1.00 0.00 H new ATOM 0 HA LYS A 82 7.942 12.876 -17.702 1.00 0.00 H new ATOM 0 HB2 LYS A 82 9.543 15.103 -17.811 1.00 0.00 H new ATOM 0 HB3 LYS A 82 10.109 14.314 -19.269 1.00 0.00 H new ATOM 0 HG2 LYS A 82 7.323 14.037 -19.460 1.00 0.00 H new ATOM 0 HG3 LYS A 82 7.504 15.624 -18.739 1.00 0.00 H new ATOM 0 HD2 LYS A 82 8.912 14.670 -21.288 1.00 0.00 H new ATOM 0 HD3 LYS A 82 7.534 15.750 -21.239 1.00 0.00 H new ATOM 0 HE2 LYS A 82 8.978 17.523 -20.990 1.00 0.00 H new ATOM 0 HE3 LYS A 82 9.478 16.876 -19.440 1.00 0.00 H new ATOM 0 HZ1 LYS A 82 11.157 17.030 -21.478 1.00 0.00 H new ATOM 0 HZ2 LYS A 82 11.248 15.754 -20.361 1.00 0.00 H new ATOM 0 HZ3 LYS A 82 10.481 15.519 -21.857 1.00 0.00 H new ATOM 1256 N ASP A 83 9.099 12.062 -20.173 1.00 0.00 N ATOM 1257 CA ASP A 83 9.447 11.001 -21.166 1.00 0.00 C ATOM 1258 C ASP A 83 10.958 10.966 -21.394 1.00 0.00 C ATOM 1259 O ASP A 83 11.501 9.985 -21.862 1.00 0.00 O ATOM 1260 CB ASP A 83 8.700 11.381 -22.446 1.00 0.00 C ATOM 1261 CG ASP A 83 9.118 12.781 -22.901 1.00 0.00 C ATOM 1262 OD1 ASP A 83 10.307 13.003 -23.057 1.00 0.00 O ATOM 1263 OD2 ASP A 83 8.239 13.606 -23.092 1.00 0.00 O ATOM 0 H ASP A 83 8.647 12.889 -20.562 1.00 0.00 H new ATOM 0 HA ASP A 83 9.163 10.006 -20.824 1.00 0.00 H new ATOM 0 HB2 ASP A 83 8.915 10.656 -23.231 1.00 0.00 H new ATOM 0 HB3 ASP A 83 7.625 11.353 -22.271 1.00 0.00 H new ATOM 1268 N GLN A 84 11.646 12.027 -21.058 1.00 0.00 N ATOM 1269 CA GLN A 84 13.125 12.047 -21.245 1.00 0.00 C ATOM 1270 C GLN A 84 13.752 10.852 -20.522 1.00 0.00 C ATOM 1271 O GLN A 84 14.745 10.301 -20.957 1.00 0.00 O ATOM 1272 CB GLN A 84 13.592 13.362 -20.617 1.00 0.00 C ATOM 1273 CG GLN A 84 14.617 14.033 -21.534 1.00 0.00 C ATOM 1274 CD GLN A 84 13.891 14.736 -22.682 1.00 0.00 C ATOM 1275 OE1 GLN A 84 12.980 14.187 -23.269 1.00 0.00 O ATOM 1276 NE2 GLN A 84 14.259 15.940 -23.029 1.00 0.00 N ATOM 0 H GLN A 84 11.247 12.878 -20.663 1.00 0.00 H new ATOM 0 HA GLN A 84 13.414 11.979 -22.294 1.00 0.00 H new ATOM 0 HB2 GLN A 84 12.741 14.024 -20.460 1.00 0.00 H new ATOM 0 HB3 GLN A 84 14.033 13.173 -19.638 1.00 0.00 H new ATOM 0 HG2 GLN A 84 15.210 14.753 -20.969 1.00 0.00 H new ATOM 0 HG3 GLN A 84 15.310 13.289 -21.929 1.00 0.00 H new ATOM 0 HE21 GLN A 84 15.024 16.401 -22.536 1.00 0.00 H new ATOM 0 HE22 GLN A 84 13.782 16.419 -23.793 1.00 0.00 H new ATOM 1285 N ASP A 85 13.175 10.449 -19.420 1.00 0.00 N ATOM 1286 CA ASP A 85 13.734 9.288 -18.666 1.00 0.00 C ATOM 1287 C ASP A 85 12.603 8.485 -18.019 1.00 0.00 C ATOM 1288 O ASP A 85 11.579 9.026 -17.651 1.00 0.00 O ATOM 1289 CB ASP A 85 14.634 9.906 -17.595 1.00 0.00 C ATOM 1290 CG ASP A 85 16.058 10.036 -18.136 1.00 0.00 C ATOM 1291 OD1 ASP A 85 16.780 9.053 -18.092 1.00 0.00 O ATOM 1292 OD2 ASP A 85 16.404 11.116 -18.587 1.00 0.00 O ATOM 0 H ASP A 85 12.343 10.873 -19.010 1.00 0.00 H new ATOM 0 HA ASP A 85 14.282 8.602 -19.311 1.00 0.00 H new ATOM 0 HB2 ASP A 85 14.253 10.885 -17.306 1.00 0.00 H new ATOM 0 HB3 ASP A 85 14.630 9.285 -16.699 1.00 0.00 H new ATOM 1297 N THR A 86 12.781 7.198 -17.873 1.00 0.00 N ATOM 1298 CA THR A 86 11.715 6.364 -17.246 1.00 0.00 C ATOM 1299 C THR A 86 11.682 6.612 -15.737 1.00 0.00 C ATOM 1300 O THR A 86 12.625 7.124 -15.165 1.00 0.00 O ATOM 1301 CB THR A 86 12.103 4.914 -17.549 1.00 0.00 C ATOM 1302 OG1 THR A 86 13.518 4.788 -17.532 1.00 0.00 O ATOM 1303 CG2 THR A 86 11.571 4.520 -18.927 1.00 0.00 C ATOM 0 H THR A 86 13.617 6.690 -18.161 1.00 0.00 H new ATOM 0 HA THR A 86 10.723 6.600 -17.632 1.00 0.00 H new ATOM 0 HB THR A 86 11.672 4.258 -16.793 1.00 0.00 H new ATOM 0 HG1 THR A 86 13.766 3.860 -17.724 1.00 0.00 H new ATOM 0 HG21 THR A 86 11.847 3.488 -19.142 1.00 0.00 H new ATOM 0 HG22 THR A 86 10.485 4.615 -18.939 1.00 0.00 H new ATOM 0 HG23 THR A 86 12.001 5.176 -19.684 1.00 0.00 H new ATOM 1311 N LEU A 87 10.604 6.260 -15.089 1.00 0.00 N ATOM 1312 CA LEU A 87 10.517 6.487 -13.616 1.00 0.00 C ATOM 1313 C LEU A 87 11.543 5.623 -12.883 1.00 0.00 C ATOM 1314 O LEU A 87 12.253 6.097 -12.018 1.00 0.00 O ATOM 1315 CB LEU A 87 9.089 6.099 -13.229 1.00 0.00 C ATOM 1316 CG LEU A 87 8.418 7.282 -12.522 1.00 0.00 C ATOM 1317 CD1 LEU A 87 8.318 8.472 -13.480 1.00 0.00 C ATOM 1318 CD2 LEU A 87 7.017 6.874 -12.065 1.00 0.00 C ATOM 0 H LEU A 87 9.783 5.827 -15.513 1.00 0.00 H new ATOM 0 HA LEU A 87 10.734 7.520 -13.346 1.00 0.00 H new ATOM 0 HB2 LEU A 87 8.522 5.822 -14.117 1.00 0.00 H new ATOM 0 HB3 LEU A 87 9.101 5.228 -12.574 1.00 0.00 H new ATOM 0 HG LEU A 87 9.015 7.569 -11.656 1.00 0.00 H new ATOM 0 HD11 LEU A 87 7.840 9.309 -12.971 1.00 0.00 H new ATOM 0 HD12 LEU A 87 9.317 8.765 -13.802 1.00 0.00 H new ATOM 0 HD13 LEU A 87 7.725 8.190 -14.350 1.00 0.00 H new ATOM 0 HD21 LEU A 87 6.539 7.715 -11.562 1.00 0.00 H new ATOM 0 HD22 LEU A 87 6.422 6.583 -12.931 1.00 0.00 H new ATOM 0 HD23 LEU A 87 7.090 6.033 -11.376 1.00 0.00 H new ATOM 1330 N ILE A 88 11.643 4.367 -13.222 1.00 0.00 N ATOM 1331 CA ILE A 88 12.643 3.496 -12.538 1.00 0.00 C ATOM 1332 C ILE A 88 14.062 3.964 -12.864 1.00 0.00 C ATOM 1333 O ILE A 88 15.009 3.621 -12.183 1.00 0.00 O ATOM 1334 CB ILE A 88 12.411 2.093 -13.094 1.00 0.00 C ATOM 1335 CG1 ILE A 88 12.548 2.108 -14.622 1.00 0.00 C ATOM 1336 CG2 ILE A 88 11.010 1.620 -12.710 1.00 0.00 C ATOM 1337 CD1 ILE A 88 13.903 1.522 -15.021 1.00 0.00 C ATOM 0 H ILE A 88 11.080 3.908 -13.938 1.00 0.00 H new ATOM 0 HA ILE A 88 12.532 3.526 -11.454 1.00 0.00 H new ATOM 0 HB ILE A 88 13.153 1.413 -12.676 1.00 0.00 H new ATOM 0 HG12 ILE A 88 11.743 1.530 -15.075 1.00 0.00 H new ATOM 0 HG13 ILE A 88 12.457 3.128 -14.995 1.00 0.00 H new ATOM 0 HG21 ILE A 88 10.843 0.618 -13.106 1.00 0.00 H new ATOM 0 HG22 ILE A 88 10.917 1.601 -11.624 1.00 0.00 H new ATOM 0 HG23 ILE A 88 10.269 2.303 -13.125 1.00 0.00 H new ATOM 0 HD11 ILE A 88 13.999 1.533 -16.107 1.00 0.00 H new ATOM 0 HD12 ILE A 88 14.702 2.119 -14.580 1.00 0.00 H new ATOM 0 HD13 ILE A 88 13.976 0.496 -14.661 1.00 0.00 H new ATOM 1349 N GLN A 89 14.219 4.735 -13.906 1.00 0.00 N ATOM 1350 CA GLN A 89 15.578 5.214 -14.282 1.00 0.00 C ATOM 1351 C GLN A 89 15.839 6.620 -13.732 1.00 0.00 C ATOM 1352 O GLN A 89 16.954 7.101 -13.771 1.00 0.00 O ATOM 1353 CB GLN A 89 15.582 5.226 -15.809 1.00 0.00 C ATOM 1354 CG GLN A 89 17.011 5.438 -16.315 1.00 0.00 C ATOM 1355 CD GLN A 89 16.989 5.670 -17.827 1.00 0.00 C ATOM 1356 OE1 GLN A 89 15.989 6.090 -18.374 1.00 0.00 O ATOM 1357 NE2 GLN A 89 18.059 5.414 -18.530 1.00 0.00 N ATOM 0 H GLN A 89 13.464 5.054 -14.513 1.00 0.00 H new ATOM 0 HA GLN A 89 16.360 4.575 -13.871 1.00 0.00 H new ATOM 0 HB2 GLN A 89 15.185 4.286 -16.192 1.00 0.00 H new ATOM 0 HB3 GLN A 89 14.933 6.020 -16.179 1.00 0.00 H new ATOM 0 HG2 GLN A 89 17.463 6.293 -15.812 1.00 0.00 H new ATOM 0 HG3 GLN A 89 17.624 4.568 -16.079 1.00 0.00 H new ATOM 0 HE21 GLN A 89 18.899 5.061 -18.071 1.00 0.00 H new ATOM 0 HE22 GLN A 89 18.055 5.567 -19.538 1.00 0.00 H new ATOM 1366 N HIS A 90 14.832 7.291 -13.223 1.00 0.00 N ATOM 1367 CA HIS A 90 15.069 8.670 -12.682 1.00 0.00 C ATOM 1368 C HIS A 90 13.779 9.308 -12.153 1.00 0.00 C ATOM 1369 O HIS A 90 13.816 10.111 -11.241 1.00 0.00 O ATOM 1370 CB HIS A 90 15.600 9.479 -13.868 1.00 0.00 C ATOM 1371 CG HIS A 90 17.037 9.853 -13.625 1.00 0.00 C ATOM 1372 ND1 HIS A 90 18.126 9.903 -14.460 1.00 0.00 N flip ATOM 1373 CD2 HIS A 90 17.498 10.245 -12.378 1.00 0.00 C flip ATOM 1374 CE1 HIS A 90 19.246 10.317 -13.744 1.00 0.00 C flip ATOM 1375 NE2 HIS A 90 18.813 10.509 -12.496 1.00 0.00 N flip ATOM 0 H HIS A 90 13.872 6.952 -13.159 1.00 0.00 H new ATOM 0 HA HIS A 90 15.763 8.643 -11.842 1.00 0.00 H new ATOM 0 HB2 HIS A 90 15.516 8.896 -14.785 1.00 0.00 H new ATOM 0 HB3 HIS A 90 14.999 10.378 -14.006 1.00 0.00 H new ATOM 0 HD2 HIS A 90 16.910 10.324 -11.476 1.00 0.00 H new ATOM 0 HE1 HIS A 90 20.250 10.454 -14.118 1.00 0.00 H new ATOM 0 HE2 HIS A 90 19.406 10.818 -11.726 1.00 0.00 H new ATOM 1383 N GLY A 91 12.641 8.983 -12.714 1.00 0.00 N ATOM 1384 CA GLY A 91 11.377 9.611 -12.220 1.00 0.00 C ATOM 1385 C GLY A 91 11.207 9.283 -10.739 1.00 0.00 C ATOM 1386 O GLY A 91 11.003 10.158 -9.920 1.00 0.00 O ATOM 0 H GLY A 91 12.532 8.320 -13.481 1.00 0.00 H new ATOM 0 HA2 GLY A 91 11.411 10.691 -12.365 1.00 0.00 H new ATOM 0 HA3 GLY A 91 10.524 9.239 -12.789 1.00 0.00 H new ATOM 1390 N ILE A 92 11.308 8.032 -10.385 1.00 0.00 N ATOM 1391 CA ILE A 92 11.180 7.648 -8.955 1.00 0.00 C ATOM 1392 C ILE A 92 12.029 6.402 -8.697 1.00 0.00 C ATOM 1393 O ILE A 92 12.618 5.845 -9.602 1.00 0.00 O ATOM 1394 CB ILE A 92 9.695 7.346 -8.744 1.00 0.00 C ATOM 1395 CG1 ILE A 92 9.276 6.199 -9.665 1.00 0.00 C ATOM 1396 CG2 ILE A 92 8.863 8.590 -9.061 1.00 0.00 C ATOM 1397 CD1 ILE A 92 9.552 4.866 -8.975 1.00 0.00 C ATOM 0 H ILE A 92 11.474 7.258 -11.028 1.00 0.00 H new ATOM 0 HA ILE A 92 11.521 8.429 -8.276 1.00 0.00 H new ATOM 0 HB ILE A 92 9.528 7.060 -7.706 1.00 0.00 H new ATOM 0 HG12 ILE A 92 8.217 6.282 -9.908 1.00 0.00 H new ATOM 0 HG13 ILE A 92 9.825 6.254 -10.605 1.00 0.00 H new ATOM 0 HG21 ILE A 92 7.806 8.369 -8.909 1.00 0.00 H new ATOM 0 HG22 ILE A 92 9.162 9.405 -8.402 1.00 0.00 H new ATOM 0 HG23 ILE A 92 9.027 8.883 -10.098 1.00 0.00 H new ATOM 0 HD11 ILE A 92 9.254 4.048 -9.631 1.00 0.00 H new ATOM 0 HD12 ILE A 92 10.616 4.784 -8.754 1.00 0.00 H new ATOM 0 HD13 ILE A 92 8.984 4.812 -8.047 1.00 0.00 H new ATOM 1409 N HIS A 93 12.085 5.951 -7.478 1.00 0.00 N ATOM 1410 CA HIS A 93 12.885 4.730 -7.179 1.00 0.00 C ATOM 1411 C HIS A 93 12.014 3.710 -6.440 1.00 0.00 C ATOM 1412 O HIS A 93 12.190 2.516 -6.577 1.00 0.00 O ATOM 1413 CB HIS A 93 14.037 5.215 -6.300 1.00 0.00 C ATOM 1414 CG HIS A 93 15.223 5.545 -7.167 1.00 0.00 C ATOM 1415 ND1 HIS A 93 16.502 5.099 -6.867 1.00 0.00 N ATOM 1416 CD2 HIS A 93 15.343 6.271 -8.330 1.00 0.00 C ATOM 1417 CE1 HIS A 93 17.326 5.556 -7.827 1.00 0.00 C ATOM 1418 NE2 HIS A 93 16.672 6.276 -8.743 1.00 0.00 N ATOM 0 H HIS A 93 11.614 6.372 -6.677 1.00 0.00 H new ATOM 0 HA HIS A 93 13.254 4.236 -8.078 1.00 0.00 H new ATOM 0 HB2 HIS A 93 13.731 6.094 -5.733 1.00 0.00 H new ATOM 0 HB3 HIS A 93 14.305 4.446 -5.576 1.00 0.00 H new ATOM 0 HD2 HIS A 93 14.530 6.762 -8.844 1.00 0.00 H new ATOM 0 HE1 HIS A 93 18.388 5.364 -7.854 1.00 0.00 H new ATOM 0 HE2 HIS A 93 17.063 6.731 -9.568 1.00 0.00 H new ATOM 1426 N ASP A 94 11.069 4.177 -5.665 1.00 0.00 N ATOM 1427 CA ASP A 94 10.166 3.248 -4.918 1.00 0.00 C ATOM 1428 C ASP A 94 9.152 4.057 -4.104 1.00 0.00 C ATOM 1429 O ASP A 94 8.773 3.677 -3.013 1.00 0.00 O ATOM 1430 CB ASP A 94 11.080 2.445 -3.984 1.00 0.00 C ATOM 1431 CG ASP A 94 11.882 3.403 -3.098 1.00 0.00 C ATOM 1432 OD1 ASP A 94 11.301 3.955 -2.180 1.00 0.00 O ATOM 1433 OD2 ASP A 94 13.064 3.566 -3.355 1.00 0.00 O ATOM 0 H ASP A 94 10.882 5.169 -5.516 1.00 0.00 H new ATOM 0 HA ASP A 94 9.605 2.595 -5.587 1.00 0.00 H new ATOM 0 HB2 ASP A 94 10.484 1.774 -3.365 1.00 0.00 H new ATOM 0 HB3 ASP A 94 11.757 1.822 -4.569 1.00 0.00 H new ATOM 1438 N GLY A 95 8.714 5.172 -4.627 1.00 0.00 N ATOM 1439 CA GLY A 95 7.730 6.013 -3.886 1.00 0.00 C ATOM 1440 C GLY A 95 8.389 7.336 -3.492 1.00 0.00 C ATOM 1441 O GLY A 95 8.460 7.683 -2.330 1.00 0.00 O ATOM 0 H GLY A 95 8.996 5.537 -5.537 1.00 0.00 H new ATOM 0 HA2 GLY A 95 6.854 6.201 -4.507 1.00 0.00 H new ATOM 0 HA3 GLY A 95 7.383 5.488 -2.996 1.00 0.00 H new ATOM 1445 N LEU A 96 8.874 8.078 -4.454 1.00 0.00 N ATOM 1446 CA LEU A 96 9.530 9.380 -4.136 1.00 0.00 C ATOM 1447 C LEU A 96 8.546 10.534 -4.339 1.00 0.00 C ATOM 1448 O LEU A 96 7.361 10.325 -4.521 1.00 0.00 O ATOM 1449 CB LEU A 96 10.693 9.488 -5.123 1.00 0.00 C ATOM 1450 CG LEU A 96 11.900 8.720 -4.582 1.00 0.00 C ATOM 1451 CD1 LEU A 96 13.009 8.704 -5.634 1.00 0.00 C ATOM 1452 CD2 LEU A 96 12.412 9.404 -3.312 1.00 0.00 C ATOM 0 H LEU A 96 8.844 7.838 -5.445 1.00 0.00 H new ATOM 0 HA LEU A 96 9.867 9.430 -3.100 1.00 0.00 H new ATOM 0 HB2 LEU A 96 10.399 9.086 -6.092 1.00 0.00 H new ATOM 0 HB3 LEU A 96 10.955 10.535 -5.278 1.00 0.00 H new ATOM 0 HG LEU A 96 11.605 7.697 -4.351 1.00 0.00 H new ATOM 0 HD11 LEU A 96 13.869 8.157 -5.248 1.00 0.00 H new ATOM 0 HD12 LEU A 96 12.645 8.217 -6.539 1.00 0.00 H new ATOM 0 HD13 LEU A 96 13.305 9.727 -5.866 1.00 0.00 H new ATOM 0 HD21 LEU A 96 13.272 8.857 -2.926 1.00 0.00 H new ATOM 0 HD22 LEU A 96 12.707 10.428 -3.544 1.00 0.00 H new ATOM 0 HD23 LEU A 96 11.622 9.415 -2.561 1.00 0.00 H new ATOM 1464 N THR A 97 9.027 11.747 -4.310 1.00 0.00 N ATOM 1465 CA THR A 97 8.121 12.918 -4.501 1.00 0.00 C ATOM 1466 C THR A 97 8.709 13.881 -5.534 1.00 0.00 C ATOM 1467 O THR A 97 9.803 14.387 -5.372 1.00 0.00 O ATOM 1468 CB THR A 97 8.041 13.585 -3.128 1.00 0.00 C ATOM 1469 OG1 THR A 97 7.807 12.597 -2.134 1.00 0.00 O ATOM 1470 CG2 THR A 97 6.899 14.603 -3.118 1.00 0.00 C ATOM 0 H THR A 97 10.009 11.979 -4.162 1.00 0.00 H new ATOM 0 HA THR A 97 7.138 12.623 -4.868 1.00 0.00 H new ATOM 0 HB THR A 97 8.981 14.095 -2.918 1.00 0.00 H new ATOM 0 HG1 THR A 97 7.757 13.024 -1.253 1.00 0.00 H new ATOM 0 HG21 THR A 97 6.843 15.078 -2.138 1.00 0.00 H new ATOM 0 HG22 THR A 97 7.081 15.362 -3.879 1.00 0.00 H new ATOM 0 HG23 THR A 97 5.958 14.096 -3.329 1.00 0.00 H new ATOM 1478 N VAL A 98 7.991 14.139 -6.593 1.00 0.00 N ATOM 1479 CA VAL A 98 8.507 15.071 -7.637 1.00 0.00 C ATOM 1480 C VAL A 98 7.565 16.270 -7.786 1.00 0.00 C ATOM 1481 O VAL A 98 6.404 16.204 -7.435 1.00 0.00 O ATOM 1482 CB VAL A 98 8.544 14.244 -8.926 1.00 0.00 C ATOM 1483 CG1 VAL A 98 7.143 13.709 -9.242 1.00 0.00 C ATOM 1484 CG2 VAL A 98 9.025 15.128 -10.079 1.00 0.00 C ATOM 0 H VAL A 98 7.069 13.745 -6.781 1.00 0.00 H new ATOM 0 HA VAL A 98 9.489 15.472 -7.387 1.00 0.00 H new ATOM 0 HB VAL A 98 9.226 13.404 -8.797 1.00 0.00 H new ATOM 0 HG11 VAL A 98 7.176 13.122 -10.160 1.00 0.00 H new ATOM 0 HG12 VAL A 98 6.800 13.080 -8.421 1.00 0.00 H new ATOM 0 HG13 VAL A 98 6.455 14.545 -9.371 1.00 0.00 H new ATOM 0 HG21 VAL A 98 9.053 14.543 -10.999 1.00 0.00 H new ATOM 0 HG22 VAL A 98 8.341 15.968 -10.203 1.00 0.00 H new ATOM 0 HG23 VAL A 98 10.024 15.503 -9.857 1.00 0.00 H new ATOM 1494 N HIS A 99 8.057 17.365 -8.304 1.00 0.00 N ATOM 1495 CA HIS A 99 7.185 18.565 -8.473 1.00 0.00 C ATOM 1496 C HIS A 99 6.518 18.544 -9.852 1.00 0.00 C ATOM 1497 O HIS A 99 7.110 18.131 -10.829 1.00 0.00 O ATOM 1498 CB HIS A 99 8.129 19.761 -8.347 1.00 0.00 C ATOM 1499 CG HIS A 99 8.696 19.808 -6.955 1.00 0.00 C ATOM 1500 ND1 HIS A 99 10.041 19.592 -6.697 1.00 0.00 N ATOM 1501 CD2 HIS A 99 8.113 20.044 -5.735 1.00 0.00 C ATOM 1502 CE1 HIS A 99 10.221 19.702 -5.368 1.00 0.00 C ATOM 1503 NE2 HIS A 99 9.079 19.977 -4.734 1.00 0.00 N ATOM 0 H HIS A 99 9.021 17.480 -8.616 1.00 0.00 H new ATOM 0 HA HIS A 99 6.383 18.602 -7.736 1.00 0.00 H new ATOM 0 HB2 HIS A 99 8.935 19.680 -9.077 1.00 0.00 H new ATOM 0 HB3 HIS A 99 7.593 20.685 -8.564 1.00 0.00 H new ATOM 0 HD2 HIS A 99 7.065 20.250 -5.576 1.00 0.00 H new ATOM 0 HE1 HIS A 99 11.174 19.582 -4.874 1.00 0.00 H new ATOM 0 HE2 HIS A 99 8.943 20.110 -3.732 1.00 0.00 H new ATOM 1511 N LEU A 100 5.292 18.988 -9.937 1.00 0.00 N ATOM 1512 CA LEU A 100 4.589 18.995 -11.255 1.00 0.00 C ATOM 1513 C LEU A 100 4.353 20.433 -11.723 1.00 0.00 C ATOM 1514 O LEU A 100 3.716 21.218 -11.048 1.00 0.00 O ATOM 1515 CB LEU A 100 3.256 18.289 -11.001 1.00 0.00 C ATOM 1516 CG LEU A 100 2.540 18.053 -12.334 1.00 0.00 C ATOM 1517 CD1 LEU A 100 1.896 16.666 -12.331 1.00 0.00 C ATOM 1518 CD2 LEU A 100 1.456 19.117 -12.528 1.00 0.00 C ATOM 0 H LEU A 100 4.747 19.346 -9.153 1.00 0.00 H new ATOM 0 HA LEU A 100 5.170 18.499 -12.033 1.00 0.00 H new ATOM 0 HB2 LEU A 100 3.426 17.339 -10.495 1.00 0.00 H new ATOM 0 HB3 LEU A 100 2.632 18.894 -10.343 1.00 0.00 H new ATOM 0 HG LEU A 100 3.262 18.116 -13.148 1.00 0.00 H new ATOM 0 HD11 LEU A 100 1.387 16.499 -13.280 1.00 0.00 H new ATOM 0 HD12 LEU A 100 2.667 15.907 -12.194 1.00 0.00 H new ATOM 0 HD13 LEU A 100 1.175 16.601 -11.516 1.00 0.00 H new ATOM 0 HD21 LEU A 100 0.947 18.949 -13.477 1.00 0.00 H new ATOM 0 HD22 LEU A 100 0.735 19.055 -11.713 1.00 0.00 H new ATOM 0 HD23 LEU A 100 1.914 20.106 -12.532 1.00 0.00 H new ATOM 1530 N VAL A 101 4.865 20.781 -12.872 1.00 0.00 N ATOM 1531 CA VAL A 101 4.675 22.169 -13.389 1.00 0.00 C ATOM 1532 C VAL A 101 4.659 22.161 -14.920 1.00 0.00 C ATOM 1533 O VAL A 101 5.380 21.413 -15.552 1.00 0.00 O ATOM 1534 CB VAL A 101 5.877 22.959 -12.865 1.00 0.00 C ATOM 1535 CG1 VAL A 101 5.851 22.971 -11.334 1.00 0.00 C ATOM 1536 CG2 VAL A 101 7.177 22.306 -13.349 1.00 0.00 C ATOM 0 H VAL A 101 5.408 20.164 -13.477 1.00 0.00 H new ATOM 0 HA VAL A 101 3.731 22.607 -13.063 1.00 0.00 H new ATOM 0 HB VAL A 101 5.827 23.982 -13.239 1.00 0.00 H new ATOM 0 HG11 VAL A 101 6.707 23.533 -10.960 1.00 0.00 H new ATOM 0 HG12 VAL A 101 4.930 23.440 -10.989 1.00 0.00 H new ATOM 0 HG13 VAL A 101 5.898 21.948 -10.961 1.00 0.00 H new ATOM 0 HG21 VAL A 101 8.030 22.872 -12.974 1.00 0.00 H new ATOM 0 HG22 VAL A 101 7.229 21.282 -12.979 1.00 0.00 H new ATOM 0 HG23 VAL A 101 7.197 22.300 -14.439 1.00 0.00 H new ATOM 1546 N ILE A 102 3.840 22.982 -15.520 1.00 0.00 N ATOM 1547 CA ILE A 102 3.778 23.012 -17.015 1.00 0.00 C ATOM 1548 C ILE A 102 4.961 23.805 -17.582 1.00 0.00 C ATOM 1549 O ILE A 102 5.288 24.877 -17.110 1.00 0.00 O ATOM 1550 CB ILE A 102 2.431 23.677 -17.383 1.00 0.00 C ATOM 1551 CG1 ILE A 102 2.532 25.214 -17.307 1.00 0.00 C ATOM 1552 CG2 ILE A 102 1.324 23.187 -16.441 1.00 0.00 C ATOM 1553 CD1 ILE A 102 2.810 25.668 -15.871 1.00 0.00 C ATOM 0 H ILE A 102 3.213 23.631 -15.045 1.00 0.00 H new ATOM 0 HA ILE A 102 3.840 22.009 -17.438 1.00 0.00 H new ATOM 0 HB ILE A 102 2.187 23.396 -18.407 1.00 0.00 H new ATOM 0 HG12 ILE A 102 3.328 25.564 -17.965 1.00 0.00 H new ATOM 0 HG13 ILE A 102 1.604 25.662 -17.662 1.00 0.00 H new ATOM 0 HG21 ILE A 102 0.381 23.662 -16.710 1.00 0.00 H new ATOM 0 HG22 ILE A 102 1.224 22.105 -16.529 1.00 0.00 H new ATOM 0 HG23 ILE A 102 1.580 23.445 -15.413 1.00 0.00 H new ATOM 0 HD11 ILE A 102 2.878 26.755 -15.840 1.00 0.00 H new ATOM 0 HD12 ILE A 102 2.000 25.336 -15.221 1.00 0.00 H new ATOM 0 HD13 ILE A 102 3.750 25.236 -15.528 1.00 0.00 H new ATOM 1565 N LYS A 103 5.603 23.284 -18.593 1.00 0.00 N ATOM 1566 CA LYS A 103 6.764 24.003 -19.195 1.00 0.00 C ATOM 1567 C LYS A 103 6.446 24.394 -20.641 1.00 0.00 C ATOM 1568 O LYS A 103 5.851 23.586 -21.335 1.00 0.00 O ATOM 1569 CB LYS A 103 7.922 23.000 -19.148 1.00 0.00 C ATOM 1570 CG LYS A 103 9.044 23.553 -18.267 1.00 0.00 C ATOM 1571 CD LYS A 103 10.003 24.383 -19.123 1.00 0.00 C ATOM 1572 CE LYS A 103 10.575 25.529 -18.286 1.00 0.00 C ATOM 1573 NZ LYS A 103 11.857 25.004 -17.740 1.00 0.00 N ATOM 0 H LYS A 103 5.374 22.391 -19.029 1.00 0.00 H new ATOM 0 HA LYS A 103 7.004 24.923 -18.662 1.00 0.00 H new ATOM 0 HB2 LYS A 103 7.574 22.045 -18.754 1.00 0.00 H new ATOM 0 HB3 LYS A 103 8.295 22.813 -20.155 1.00 0.00 H new ATOM 0 HG2 LYS A 103 8.626 24.168 -17.470 1.00 0.00 H new ATOM 0 HG3 LYS A 103 9.582 22.735 -17.789 1.00 0.00 H new ATOM 0 HD2 LYS A 103 10.811 23.754 -19.497 1.00 0.00 H new ATOM 0 HD3 LYS A 103 9.480 24.780 -19.993 1.00 0.00 H new ATOM 0 HE2 LYS A 103 10.740 26.418 -18.894 1.00 0.00 H new ATOM 0 HE3 LYS A 103 9.892 25.813 -17.486 1.00 0.00 H new ATOM 0 HZ1 LYS A 103 12.310 25.734 -17.154 1.00 0.00 H new ATOM 0 HZ2 LYS A 103 11.668 24.162 -17.160 1.00 0.00 H new ATOM 0 HZ3 LYS A 103 12.490 24.749 -18.525 1.00 0.00 H new TER 1587 LYS A 103