USER MOD reduce.3.24.130724 H: found=0, std=0, add=733, rem=0, adj=18 USER MOD reduce.3.24.130724 removed 729 hydrogens (0 hets) USER MOD ----------------------------------------------------------------- USER MOD scores for adjustable sidechains, with "set" totals for H,N and Q USER MOD "o" means original, "f" means flipped, "180deg" is methyl default USER MOD "!" flags a clash with an overlap of 0.40A or greater USER MOD flip categories: "K"=keep, "C"=clashes, "X"=uncertain, "F"=flip USER MOD Single : A 1 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 1 MET N :NH3+ 153:sc= 0.00528 (180deg=0) USER MOD Single : A 2 SER OG : rot 180:sc= 0 USER MOD Single : A 3 THR OG1 : rot 180:sc= 0.0255 USER MOD Single : A 5 THR OG1 : rot 180:sc= 0 USER MOD Single : A 8 SER OG : rot 180:sc=-0.00573 USER MOD Single : A 11 SER OG : rot 180:sc= 0 USER MOD Single : A 12 TYR OH : rot 180:sc= 0 USER MOD Single : A 16 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 18 SER OG : rot 180:sc= 0 USER MOD Single : A 19 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 23 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 25 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 43 TYR OH : rot 180:sc= 0 USER MOD Single : A 46 TYR OH : rot 180:sc= 0 USER MOD Single : A 47 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 49 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 50 SER OG : rot 180:sc= 0 USER MOD Single : A 53 ASN : amide:sc= 0.343 K(o=0.34,f=-5.4!) USER MOD Single : A 54 THR OG1 : rot 180:sc= 0 USER MOD Single : A 55 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 56 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 57 SER OG : rot 180:sc= 0 USER MOD Single : A 59 HIS : no HD1:sc= -0.597 X(o=-0.6,f=-0.34) USER MOD Single : A 62 HIS : no HD1:sc= -0.467 K(o=-0.47,f=-1.3) USER MOD Single : A 63 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 68 GLN : amide:sc= -0.962 X(o=-0.96,f=-0.62) USER MOD Single : A 75 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 76 THR OG1 : rot 180:sc= 0 USER MOD Single : A 79 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 81 TYR OH : rot 180:sc= 0 USER MOD Single : A 82 SER OG : rot 180:sc= 0 USER MOD Single : A 83 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 84 TYR OH : rot 180:sc= 0 USER MOD Single : A 90 LYS NZ :NH3+ -144:sc= -0.106 (180deg=-0.888) USER MOD Single : A 92 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD ----------------------------------------------------------------- ATOM 1 N MET A 1 -23.560 -14.994 6.058 1.00 0.00 N ATOM 2 CA MET A 1 -22.539 -14.776 5.047 1.00 0.00 C ATOM 3 C MET A 1 -22.220 -13.286 4.903 1.00 0.00 C ATOM 4 O MET A 1 -23.114 -12.446 4.982 1.00 0.00 O ATOM 5 CB MET A 1 -23.023 -15.326 3.705 1.00 0.00 C ATOM 6 CG MET A 1 -22.231 -16.574 3.306 1.00 0.00 C ATOM 7 SD MET A 1 -23.322 -17.780 2.571 1.00 0.00 S ATOM 8 CE MET A 1 -23.013 -17.463 0.841 1.00 0.00 C ATOM 0 H1 MET A 1 -24.080 -15.869 5.844 1.00 0.00 H new ATOM 0 H2 MET A 1 -23.111 -15.078 6.992 1.00 0.00 H new ATOM 0 H3 MET A 1 -24.221 -14.191 6.063 1.00 0.00 H new ATOM 0 HA MET A 1 -21.632 -15.295 5.356 1.00 0.00 H new ATOM 0 HB2 MET A 1 -24.084 -15.569 3.769 1.00 0.00 H new ATOM 0 HB3 MET A 1 -22.917 -14.562 2.935 1.00 0.00 H new ATOM 0 HG2 MET A 1 -21.444 -16.306 2.601 1.00 0.00 H new ATOM 0 HG3 MET A 1 -21.742 -17.000 4.182 1.00 0.00 H new ATOM 0 HE1 MET A 1 -23.619 -18.135 0.234 1.00 0.00 H new ATOM 0 HE2 MET A 1 -23.273 -16.430 0.608 1.00 0.00 H new ATOM 0 HE3 MET A 1 -21.958 -17.629 0.623 1.00 0.00 H new ATOM 18 N SER A 2 -20.942 -13.005 4.695 1.00 0.00 N ATOM 19 CA SER A 2 -20.493 -11.632 4.539 1.00 0.00 C ATOM 20 C SER A 2 -19.409 -11.554 3.463 1.00 0.00 C ATOM 21 O SER A 2 -18.692 -12.526 3.227 1.00 0.00 O ATOM 22 CB SER A 2 -19.969 -11.070 5.862 1.00 0.00 C ATOM 23 OG SER A 2 -21.022 -10.591 6.694 1.00 0.00 O ATOM 0 H SER A 2 -20.203 -13.705 4.631 1.00 0.00 H new ATOM 0 HA SER A 2 -21.346 -11.027 4.231 1.00 0.00 H new ATOM 0 HB2 SER A 2 -19.414 -11.845 6.390 1.00 0.00 H new ATOM 0 HB3 SER A 2 -19.270 -10.259 5.659 1.00 0.00 H new ATOM 0 HG SER A 2 -20.646 -10.242 7.529 1.00 0.00 H new ATOM 29 N THR A 3 -19.322 -10.389 2.838 1.00 0.00 N ATOM 30 CA THR A 3 -18.337 -10.172 1.792 1.00 0.00 C ATOM 31 C THR A 3 -16.988 -9.787 2.402 1.00 0.00 C ATOM 32 O THR A 3 -16.934 -9.052 3.386 1.00 0.00 O ATOM 33 CB THR A 3 -18.892 -9.118 0.832 1.00 0.00 C ATOM 34 OG1 THR A 3 -19.155 -7.992 1.665 1.00 0.00 O ATOM 35 CG2 THR A 3 -20.266 -9.498 0.276 1.00 0.00 C ATOM 0 H THR A 3 -19.918 -9.585 3.036 1.00 0.00 H new ATOM 0 HA THR A 3 -18.154 -11.085 1.225 1.00 0.00 H new ATOM 0 HB THR A 3 -18.193 -8.975 0.008 1.00 0.00 H new ATOM 0 HG1 THR A 3 -19.516 -7.261 1.122 1.00 0.00 H new ATOM 0 HG21 THR A 3 -20.614 -8.716 -0.399 1.00 0.00 H new ATOM 0 HG22 THR A 3 -20.191 -10.440 -0.267 1.00 0.00 H new ATOM 0 HG23 THR A 3 -20.973 -9.609 1.098 1.00 0.00 H new ATOM 43 N ASP A 4 -15.931 -10.303 1.792 1.00 0.00 N ATOM 44 CA ASP A 4 -14.585 -10.023 2.263 1.00 0.00 C ATOM 45 C ASP A 4 -13.613 -10.087 1.083 1.00 0.00 C ATOM 46 O ASP A 4 -12.869 -9.139 0.835 1.00 0.00 O ATOM 47 CB ASP A 4 -14.138 -11.056 3.299 1.00 0.00 C ATOM 48 CG ASP A 4 -12.924 -10.648 4.137 1.00 0.00 C ATOM 49 OD1 ASP A 4 -11.977 -10.029 3.630 1.00 0.00 O ATOM 50 OD2 ASP A 4 -12.976 -10.997 5.378 1.00 0.00 O ATOM 0 H ASP A 4 -15.979 -10.913 0.976 1.00 0.00 H new ATOM 0 HA ASP A 4 -14.586 -9.033 2.718 1.00 0.00 H new ATOM 0 HB2 ASP A 4 -14.972 -11.260 3.970 1.00 0.00 H new ATOM 0 HB3 ASP A 4 -13.908 -11.989 2.784 1.00 0.00 H new ATOM 55 N THR A 5 -13.652 -11.213 0.386 1.00 0.00 N ATOM 56 CA THR A 5 -12.784 -11.412 -0.763 1.00 0.00 C ATOM 57 C THR A 5 -13.407 -10.795 -2.016 1.00 0.00 C ATOM 58 O THR A 5 -12.834 -9.887 -2.616 1.00 0.00 O ATOM 59 CB THR A 5 -12.512 -12.912 -0.895 1.00 0.00 C ATOM 60 OG1 THR A 5 -11.693 -13.217 0.231 1.00 0.00 O ATOM 61 CG2 THR A 5 -11.628 -13.243 -2.099 1.00 0.00 C ATOM 0 H THR A 5 -14.271 -11.997 0.594 1.00 0.00 H new ATOM 0 HA THR A 5 -11.829 -10.904 -0.630 1.00 0.00 H new ATOM 0 HB THR A 5 -13.458 -13.446 -0.982 1.00 0.00 H new ATOM 0 HG1 THR A 5 -11.471 -14.171 0.225 1.00 0.00 H new ATOM 0 HG21 THR A 5 -11.466 -14.320 -2.146 1.00 0.00 H new ATOM 0 HG22 THR A 5 -12.119 -12.909 -3.013 1.00 0.00 H new ATOM 0 HG23 THR A 5 -10.669 -12.736 -1.996 1.00 0.00 H new ATOM 69 N GLY A 6 -14.573 -11.312 -2.374 1.00 0.00 N ATOM 70 CA GLY A 6 -15.280 -10.823 -3.546 1.00 0.00 C ATOM 71 C GLY A 6 -15.552 -9.321 -3.435 1.00 0.00 C ATOM 72 O GLY A 6 -15.153 -8.685 -2.461 1.00 0.00 O ATOM 0 H GLY A 6 -15.046 -12.064 -1.873 1.00 0.00 H new ATOM 0 HA2 GLY A 6 -14.691 -11.024 -4.441 1.00 0.00 H new ATOM 0 HA3 GLY A 6 -16.222 -11.360 -3.657 1.00 0.00 H new ATOM 76 N VAL A 7 -16.229 -8.799 -4.446 1.00 0.00 N ATOM 77 CA VAL A 7 -16.558 -7.384 -4.475 1.00 0.00 C ATOM 78 C VAL A 7 -17.301 -7.012 -3.190 1.00 0.00 C ATOM 79 O VAL A 7 -18.414 -7.480 -2.954 1.00 0.00 O ATOM 80 CB VAL A 7 -17.353 -7.057 -5.741 1.00 0.00 C ATOM 81 CG1 VAL A 7 -18.736 -7.711 -5.704 1.00 0.00 C ATOM 82 CG2 VAL A 7 -17.468 -5.544 -5.941 1.00 0.00 C ATOM 0 H VAL A 7 -16.559 -9.330 -5.252 1.00 0.00 H new ATOM 0 HA VAL A 7 -15.651 -6.781 -4.513 1.00 0.00 H new ATOM 0 HB VAL A 7 -16.810 -7.468 -6.593 1.00 0.00 H new ATOM 0 HG11 VAL A 7 -19.280 -7.463 -6.615 1.00 0.00 H new ATOM 0 HG12 VAL A 7 -18.625 -8.793 -5.631 1.00 0.00 H new ATOM 0 HG13 VAL A 7 -19.289 -7.344 -4.840 1.00 0.00 H new ATOM 0 HG21 VAL A 7 -18.037 -5.339 -6.848 1.00 0.00 H new ATOM 0 HG22 VAL A 7 -17.977 -5.101 -5.085 1.00 0.00 H new ATOM 0 HG23 VAL A 7 -16.471 -5.112 -6.033 1.00 0.00 H new ATOM 92 N SER A 8 -16.655 -6.173 -2.393 1.00 0.00 N ATOM 93 CA SER A 8 -17.240 -5.733 -1.138 1.00 0.00 C ATOM 94 C SER A 8 -17.427 -4.215 -1.152 1.00 0.00 C ATOM 95 O SER A 8 -18.545 -3.722 -1.007 1.00 0.00 O ATOM 96 CB SER A 8 -16.372 -6.150 0.051 1.00 0.00 C ATOM 97 OG SER A 8 -15.005 -5.793 -0.135 1.00 0.00 O ATOM 0 H SER A 8 -15.732 -5.787 -2.592 1.00 0.00 H new ATOM 0 HA SER A 8 -18.213 -6.212 -1.028 1.00 0.00 H new ATOM 0 HB2 SER A 8 -16.750 -5.679 0.958 1.00 0.00 H new ATOM 0 HB3 SER A 8 -16.449 -7.228 0.196 1.00 0.00 H new ATOM 0 HG SER A 8 -14.484 -6.075 0.646 1.00 0.00 H new ATOM 103 N LEU A 9 -16.316 -3.515 -1.327 1.00 0.00 N ATOM 104 CA LEU A 9 -16.344 -2.063 -1.362 1.00 0.00 C ATOM 105 C LEU A 9 -16.967 -1.600 -2.681 1.00 0.00 C ATOM 106 O LEU A 9 -16.894 -2.305 -3.687 1.00 0.00 O ATOM 107 CB LEU A 9 -14.946 -1.494 -1.110 1.00 0.00 C ATOM 108 CG LEU A 9 -14.723 -0.844 0.257 1.00 0.00 C ATOM 109 CD1 LEU A 9 -14.558 -1.904 1.348 1.00 0.00 C ATOM 110 CD2 LEU A 9 -13.541 0.127 0.217 1.00 0.00 C ATOM 0 H LEU A 9 -15.390 -3.927 -1.446 1.00 0.00 H new ATOM 0 HA LEU A 9 -16.971 -1.675 -0.559 1.00 0.00 H new ATOM 0 HB2 LEU A 9 -14.221 -2.299 -1.230 1.00 0.00 H new ATOM 0 HB3 LEU A 9 -14.732 -0.754 -1.881 1.00 0.00 H new ATOM 0 HG LEU A 9 -15.610 -0.261 0.506 1.00 0.00 H new ATOM 0 HD11 LEU A 9 -14.401 -1.415 2.309 1.00 0.00 H new ATOM 0 HD12 LEU A 9 -15.456 -2.519 1.396 1.00 0.00 H new ATOM 0 HD13 LEU A 9 -13.699 -2.534 1.117 1.00 0.00 H new ATOM 0 HD21 LEU A 9 -13.405 0.575 1.201 1.00 0.00 H new ATOM 0 HD22 LEU A 9 -12.637 -0.412 -0.065 1.00 0.00 H new ATOM 0 HD23 LEU A 9 -13.739 0.911 -0.514 1.00 0.00 H new ATOM 122 N PRO A 10 -17.582 -0.388 -2.632 1.00 0.00 N ATOM 123 CA PRO A 10 -18.217 0.177 -3.811 1.00 0.00 C ATOM 124 C PRO A 10 -17.173 0.707 -4.796 1.00 0.00 C ATOM 125 O PRO A 10 -16.691 1.829 -4.651 1.00 0.00 O ATOM 126 CB PRO A 10 -19.137 1.263 -3.279 1.00 0.00 C ATOM 127 CG PRO A 10 -18.641 1.581 -1.878 1.00 0.00 C ATOM 128 CD PRO A 10 -17.687 0.474 -1.459 1.00 0.00 C ATOM 0 HA PRO A 10 -18.782 -0.562 -4.380 1.00 0.00 H new ATOM 0 HB2 PRO A 10 -19.105 2.148 -3.915 1.00 0.00 H new ATOM 0 HB3 PRO A 10 -20.172 0.922 -3.259 1.00 0.00 H new ATOM 0 HG2 PRO A 10 -18.136 2.547 -1.862 1.00 0.00 H new ATOM 0 HG3 PRO A 10 -19.478 1.647 -1.183 1.00 0.00 H new ATOM 0 HD2 PRO A 10 -16.715 0.876 -1.175 1.00 0.00 H new ATOM 0 HD3 PRO A 10 -18.070 -0.074 -0.598 1.00 0.00 H new ATOM 136 N SER A 11 -16.854 -0.126 -5.775 1.00 0.00 N ATOM 137 CA SER A 11 -15.876 0.245 -6.784 1.00 0.00 C ATOM 138 C SER A 11 -16.172 -0.488 -8.094 1.00 0.00 C ATOM 139 O SER A 11 -16.529 -1.665 -8.084 1.00 0.00 O ATOM 140 CB SER A 11 -14.454 -0.065 -6.313 1.00 0.00 C ATOM 141 OG SER A 11 -13.507 0.867 -6.826 1.00 0.00 O ATOM 0 H SER A 11 -17.255 -1.057 -5.891 1.00 0.00 H new ATOM 0 HA SER A 11 -15.948 1.320 -6.951 1.00 0.00 H new ATOM 0 HB2 SER A 11 -14.422 -0.052 -5.224 1.00 0.00 H new ATOM 0 HB3 SER A 11 -14.179 -1.072 -6.628 1.00 0.00 H new ATOM 0 HG SER A 11 -12.612 0.636 -6.501 1.00 0.00 H new ATOM 147 N TYR A 12 -16.013 0.239 -9.191 1.00 0.00 N ATOM 148 CA TYR A 12 -16.259 -0.327 -10.506 1.00 0.00 C ATOM 149 C TYR A 12 -15.739 -1.764 -10.591 1.00 0.00 C ATOM 150 O TYR A 12 -14.553 -2.012 -10.382 1.00 0.00 O ATOM 151 CB TYR A 12 -15.479 0.544 -11.492 1.00 0.00 C ATOM 152 CG TYR A 12 -13.970 0.288 -11.490 1.00 0.00 C ATOM 153 CD1 TYR A 12 -13.227 0.552 -10.357 1.00 0.00 C ATOM 154 CD2 TYR A 12 -13.352 -0.207 -12.621 1.00 0.00 C ATOM 155 CE1 TYR A 12 -11.808 0.311 -10.355 1.00 0.00 C ATOM 156 CE2 TYR A 12 -11.932 -0.448 -12.618 1.00 0.00 C ATOM 157 CZ TYR A 12 -11.230 -0.177 -11.486 1.00 0.00 C ATOM 158 OH TYR A 12 -9.889 -0.404 -11.483 1.00 0.00 O ATOM 0 H TYR A 12 -15.717 1.215 -9.195 1.00 0.00 H new ATOM 0 HA TYR A 12 -17.327 -0.348 -10.721 1.00 0.00 H new ATOM 0 HB2 TYR A 12 -15.865 0.372 -12.497 1.00 0.00 H new ATOM 0 HB3 TYR A 12 -15.660 1.593 -11.256 1.00 0.00 H new ATOM 0 HD1 TYR A 12 -13.710 0.939 -9.472 1.00 0.00 H new ATOM 0 HD2 TYR A 12 -13.933 -0.413 -13.508 1.00 0.00 H new ATOM 0 HE1 TYR A 12 -11.215 0.513 -9.475 1.00 0.00 H new ATOM 0 HE2 TYR A 12 -11.436 -0.835 -13.496 1.00 0.00 H new ATOM 0 HH TYR A 12 -9.614 -0.753 -12.357 1.00 0.00 H new ATOM 168 N GLU A 13 -16.653 -2.673 -10.898 1.00 0.00 N ATOM 169 CA GLU A 13 -16.302 -4.078 -11.012 1.00 0.00 C ATOM 170 C GLU A 13 -16.908 -4.674 -12.285 1.00 0.00 C ATOM 171 O GLU A 13 -17.836 -5.479 -12.217 1.00 0.00 O ATOM 172 CB GLU A 13 -16.750 -4.858 -9.774 1.00 0.00 C ATOM 173 CG GLU A 13 -16.193 -6.283 -9.794 1.00 0.00 C ATOM 174 CD GLU A 13 -17.264 -7.283 -10.235 1.00 0.00 C ATOM 175 OE1 GLU A 13 -18.464 -6.983 -10.155 1.00 0.00 O ATOM 176 OE2 GLU A 13 -16.811 -8.408 -10.676 1.00 0.00 O ATOM 0 H GLU A 13 -17.636 -2.464 -11.071 1.00 0.00 H new ATOM 0 HA GLU A 13 -15.217 -4.157 -11.077 1.00 0.00 H new ATOM 0 HB2 GLU A 13 -16.412 -4.344 -8.874 1.00 0.00 H new ATOM 0 HB3 GLU A 13 -17.839 -4.890 -9.734 1.00 0.00 H new ATOM 0 HG2 GLU A 13 -15.341 -6.335 -10.471 1.00 0.00 H new ATOM 0 HG3 GLU A 13 -15.828 -6.549 -8.802 1.00 0.00 H new ATOM 183 N GLU A 14 -16.358 -4.257 -13.415 1.00 0.00 N ATOM 184 CA GLU A 14 -16.832 -4.739 -14.701 1.00 0.00 C ATOM 185 C GLU A 14 -15.790 -5.659 -15.340 1.00 0.00 C ATOM 186 O GLU A 14 -15.278 -5.368 -16.420 1.00 0.00 O ATOM 187 CB GLU A 14 -17.178 -3.574 -15.630 1.00 0.00 C ATOM 188 CG GLU A 14 -18.665 -3.224 -15.541 1.00 0.00 C ATOM 189 CD GLU A 14 -18.866 -1.713 -15.415 1.00 0.00 C ATOM 190 OE1 GLU A 14 -18.125 -1.048 -14.675 1.00 0.00 O ATOM 191 OE2 GLU A 14 -19.832 -1.230 -16.120 1.00 0.00 O ATOM 0 H GLU A 14 -15.588 -3.590 -13.467 1.00 0.00 H new ATOM 0 HA GLU A 14 -17.744 -5.313 -14.538 1.00 0.00 H new ATOM 0 HB2 GLU A 14 -16.579 -2.703 -15.365 1.00 0.00 H new ATOM 0 HB3 GLU A 14 -16.923 -3.835 -16.657 1.00 0.00 H new ATOM 0 HG2 GLU A 14 -19.182 -3.591 -16.428 1.00 0.00 H new ATOM 0 HG3 GLU A 14 -19.110 -3.726 -14.682 1.00 0.00 H new ATOM 198 N ASP A 15 -15.507 -6.752 -14.646 1.00 0.00 N ATOM 199 CA ASP A 15 -14.535 -7.717 -15.132 1.00 0.00 C ATOM 200 C ASP A 15 -13.337 -6.972 -15.724 1.00 0.00 C ATOM 201 O ASP A 15 -13.321 -6.662 -16.914 1.00 0.00 O ATOM 202 CB ASP A 15 -15.135 -8.597 -16.230 1.00 0.00 C ATOM 203 CG ASP A 15 -15.240 -10.083 -15.883 1.00 0.00 C ATOM 204 OD1 ASP A 15 -15.658 -10.452 -14.775 1.00 0.00 O ATOM 205 OD2 ASP A 15 -14.865 -10.889 -16.817 1.00 0.00 O ATOM 0 H ASP A 15 -15.934 -6.991 -13.751 1.00 0.00 H new ATOM 0 HA ASP A 15 -14.232 -8.344 -14.293 1.00 0.00 H new ATOM 0 HB2 ASP A 15 -16.131 -8.224 -16.470 1.00 0.00 H new ATOM 0 HB3 ASP A 15 -14.530 -8.492 -17.130 1.00 0.00 H new ATOM 210 N GLN A 16 -12.362 -6.708 -14.867 1.00 0.00 N ATOM 211 CA GLN A 16 -11.163 -6.006 -15.290 1.00 0.00 C ATOM 212 C GLN A 16 -10.232 -5.778 -14.097 1.00 0.00 C ATOM 213 O GLN A 16 -9.088 -6.229 -14.103 1.00 0.00 O ATOM 214 CB GLN A 16 -11.514 -4.683 -15.973 1.00 0.00 C ATOM 215 CG GLN A 16 -10.626 -4.444 -17.195 1.00 0.00 C ATOM 216 CD GLN A 16 -9.460 -3.513 -16.853 1.00 0.00 C ATOM 217 OE1 GLN A 16 -9.601 -2.304 -16.773 1.00 0.00 O ATOM 218 NE2 GLN A 16 -8.305 -4.142 -16.658 1.00 0.00 N ATOM 0 H GLN A 16 -12.378 -6.968 -13.881 1.00 0.00 H new ATOM 0 HA GLN A 16 -10.641 -6.626 -16.019 1.00 0.00 H new ATOM 0 HB2 GLN A 16 -12.561 -4.693 -16.276 1.00 0.00 H new ATOM 0 HB3 GLN A 16 -11.395 -3.862 -15.266 1.00 0.00 H new ATOM 0 HG2 GLN A 16 -10.241 -5.396 -17.561 1.00 0.00 H new ATOM 0 HG3 GLN A 16 -11.219 -4.010 -18.000 1.00 0.00 H new ATOM 0 HE21 GLN A 16 -8.257 -5.158 -16.741 1.00 0.00 H new ATOM 0 HE22 GLN A 16 -7.467 -3.609 -16.426 1.00 0.00 H new ATOM 227 N GLY A 17 -10.758 -5.078 -13.103 1.00 0.00 N ATOM 228 CA GLY A 17 -9.989 -4.784 -11.906 1.00 0.00 C ATOM 229 C GLY A 17 -9.120 -5.978 -11.506 1.00 0.00 C ATOM 230 O GLY A 17 -7.901 -5.854 -11.397 1.00 0.00 O ATOM 0 H GLY A 17 -11.708 -4.706 -13.102 1.00 0.00 H new ATOM 0 HA2 GLY A 17 -9.358 -3.912 -12.080 1.00 0.00 H new ATOM 0 HA3 GLY A 17 -10.664 -4.531 -11.089 1.00 0.00 H new ATOM 234 N SER A 18 -9.781 -7.107 -11.298 1.00 0.00 N ATOM 235 CA SER A 18 -9.084 -8.322 -10.912 1.00 0.00 C ATOM 236 C SER A 18 -7.827 -8.498 -11.767 1.00 0.00 C ATOM 237 O SER A 18 -6.740 -8.725 -11.239 1.00 0.00 O ATOM 238 CB SER A 18 -9.994 -9.545 -11.047 1.00 0.00 C ATOM 239 OG SER A 18 -10.473 -9.997 -9.783 1.00 0.00 O ATOM 0 H SER A 18 -10.792 -7.206 -11.389 1.00 0.00 H new ATOM 0 HA SER A 18 -8.794 -8.233 -9.865 1.00 0.00 H new ATOM 0 HB2 SER A 18 -10.840 -9.298 -11.688 1.00 0.00 H new ATOM 0 HB3 SER A 18 -9.448 -10.351 -11.537 1.00 0.00 H new ATOM 0 HG SER A 18 -11.051 -10.778 -9.912 1.00 0.00 H new ATOM 245 N LYS A 19 -8.019 -8.387 -13.073 1.00 0.00 N ATOM 246 CA LYS A 19 -6.914 -8.532 -14.006 1.00 0.00 C ATOM 247 C LYS A 19 -5.817 -7.527 -13.650 1.00 0.00 C ATOM 248 O LYS A 19 -4.635 -7.867 -13.650 1.00 0.00 O ATOM 249 CB LYS A 19 -7.412 -8.413 -15.448 1.00 0.00 C ATOM 250 CG LYS A 19 -7.896 -9.766 -15.974 1.00 0.00 C ATOM 251 CD LYS A 19 -8.868 -9.585 -17.142 1.00 0.00 C ATOM 252 CE LYS A 19 -9.340 -10.938 -17.677 1.00 0.00 C ATOM 253 NZ LYS A 19 -8.343 -11.500 -18.616 1.00 0.00 N ATOM 0 H LYS A 19 -8.922 -8.198 -13.507 1.00 0.00 H new ATOM 0 HA LYS A 19 -6.475 -9.526 -13.925 1.00 0.00 H new ATOM 0 HB2 LYS A 19 -8.224 -7.688 -15.497 1.00 0.00 H new ATOM 0 HB3 LYS A 19 -6.610 -8.037 -16.084 1.00 0.00 H new ATOM 0 HG2 LYS A 19 -7.042 -10.362 -16.296 1.00 0.00 H new ATOM 0 HG3 LYS A 19 -8.385 -10.318 -15.172 1.00 0.00 H new ATOM 0 HD2 LYS A 19 -9.727 -8.999 -16.817 1.00 0.00 H new ATOM 0 HD3 LYS A 19 -8.382 -9.024 -17.940 1.00 0.00 H new ATOM 0 HE2 LYS A 19 -9.498 -11.628 -16.848 1.00 0.00 H new ATOM 0 HE3 LYS A 19 -10.299 -10.822 -18.182 1.00 0.00 H new ATOM 0 HZ1 LYS A 19 -8.679 -12.418 -18.970 1.00 0.00 H new ATOM 0 HZ2 LYS A 19 -8.213 -10.848 -19.415 1.00 0.00 H new ATOM 0 HZ3 LYS A 19 -7.436 -11.629 -18.123 1.00 0.00 H new ATOM 267 N LEU A 20 -6.247 -6.309 -13.354 1.00 0.00 N ATOM 268 CA LEU A 20 -5.316 -5.252 -12.997 1.00 0.00 C ATOM 269 C LEU A 20 -4.549 -5.659 -11.737 1.00 0.00 C ATOM 270 O LEU A 20 -3.409 -5.243 -11.539 1.00 0.00 O ATOM 271 CB LEU A 20 -6.048 -3.915 -12.866 1.00 0.00 C ATOM 272 CG LEU A 20 -6.093 -3.310 -11.462 1.00 0.00 C ATOM 273 CD1 LEU A 20 -4.773 -2.615 -11.121 1.00 0.00 C ATOM 274 CD2 LEU A 20 -7.291 -2.371 -11.308 1.00 0.00 C ATOM 0 H LEU A 20 -7.228 -6.031 -13.354 1.00 0.00 H new ATOM 0 HA LEU A 20 -4.579 -5.110 -13.788 1.00 0.00 H new ATOM 0 HB2 LEU A 20 -5.574 -3.197 -13.535 1.00 0.00 H new ATOM 0 HB3 LEU A 20 -7.072 -4.048 -13.216 1.00 0.00 H new ATOM 0 HG LEU A 20 -6.224 -4.121 -10.745 1.00 0.00 H new ATOM 0 HD11 LEU A 20 -4.832 -2.194 -10.117 1.00 0.00 H new ATOM 0 HD12 LEU A 20 -3.959 -3.339 -11.163 1.00 0.00 H new ATOM 0 HD13 LEU A 20 -4.586 -1.817 -11.839 1.00 0.00 H new ATOM 0 HD21 LEU A 20 -7.300 -1.954 -10.301 1.00 0.00 H new ATOM 0 HD22 LEU A 20 -7.215 -1.562 -12.035 1.00 0.00 H new ATOM 0 HD23 LEU A 20 -8.213 -2.927 -11.479 1.00 0.00 H new ATOM 286 N ILE A 21 -5.206 -6.468 -10.918 1.00 0.00 N ATOM 287 CA ILE A 21 -4.600 -6.936 -9.683 1.00 0.00 C ATOM 288 C ILE A 21 -3.761 -8.182 -9.972 1.00 0.00 C ATOM 289 O ILE A 21 -2.881 -8.538 -9.189 1.00 0.00 O ATOM 290 CB ILE A 21 -5.668 -7.149 -8.609 1.00 0.00 C ATOM 291 CG1 ILE A 21 -6.424 -5.849 -8.322 1.00 0.00 C ATOM 292 CG2 ILE A 21 -5.059 -7.750 -7.341 1.00 0.00 C ATOM 293 CD1 ILE A 21 -5.511 -4.821 -7.652 1.00 0.00 C ATOM 0 H ILE A 21 -6.152 -6.811 -11.086 1.00 0.00 H new ATOM 0 HA ILE A 21 -3.923 -6.182 -9.281 1.00 0.00 H new ATOM 0 HB ILE A 21 -6.395 -7.867 -8.988 1.00 0.00 H new ATOM 0 HG12 ILE A 21 -6.817 -5.440 -9.253 1.00 0.00 H new ATOM 0 HG13 ILE A 21 -7.279 -6.056 -7.678 1.00 0.00 H new ATOM 0 HG21 ILE A 21 -5.840 -7.891 -6.594 1.00 0.00 H new ATOM 0 HG22 ILE A 21 -4.604 -8.712 -7.577 1.00 0.00 H new ATOM 0 HG23 ILE A 21 -4.298 -7.076 -6.948 1.00 0.00 H new ATOM 0 HD11 ILE A 21 -6.072 -3.907 -7.459 1.00 0.00 H new ATOM 0 HD12 ILE A 21 -5.139 -5.224 -6.710 1.00 0.00 H new ATOM 0 HD13 ILE A 21 -4.670 -4.598 -8.309 1.00 0.00 H new ATOM 305 N ARG A 22 -4.063 -8.812 -11.098 1.00 0.00 N ATOM 306 CA ARG A 22 -3.347 -10.011 -11.500 1.00 0.00 C ATOM 307 C ARG A 22 -2.033 -9.639 -12.190 1.00 0.00 C ATOM 308 O ARG A 22 -2.036 -9.171 -13.327 1.00 0.00 O ATOM 309 CB ARG A 22 -4.191 -10.863 -12.449 1.00 0.00 C ATOM 310 CG ARG A 22 -3.395 -12.066 -12.960 1.00 0.00 C ATOM 311 CD ARG A 22 -3.216 -13.113 -11.858 1.00 0.00 C ATOM 312 NE ARG A 22 -3.055 -14.456 -12.458 1.00 0.00 N ATOM 313 CZ ARG A 22 -4.005 -15.077 -13.190 1.00 0.00 C ATOM 314 NH1 ARG A 22 -5.193 -14.479 -13.419 1.00 0.00 N ATOM 315 NH2 ARG A 22 -3.754 -16.278 -13.677 1.00 0.00 N ATOM 0 H ARG A 22 -4.794 -8.515 -11.745 1.00 0.00 H new ATOM 0 HA ARG A 22 -3.137 -10.589 -10.600 1.00 0.00 H new ATOM 0 HB2 ARG A 22 -5.088 -11.208 -11.934 1.00 0.00 H new ATOM 0 HB3 ARG A 22 -4.521 -10.256 -13.292 1.00 0.00 H new ATOM 0 HG2 ARG A 22 -3.910 -12.513 -13.811 1.00 0.00 H new ATOM 0 HG3 ARG A 22 -2.419 -11.736 -13.315 1.00 0.00 H new ATOM 0 HD2 ARG A 22 -2.344 -12.869 -11.252 1.00 0.00 H new ATOM 0 HD3 ARG A 22 -4.079 -13.104 -11.193 1.00 0.00 H new ATOM 0 HE ARG A 22 -2.171 -14.943 -12.309 1.00 0.00 H new ATOM 0 HH11 ARG A 22 -5.379 -13.551 -13.038 1.00 0.00 H new ATOM 0 HH12 ARG A 22 -5.905 -14.955 -13.973 1.00 0.00 H new ATOM 0 HH21 ARG A 22 -2.854 -16.723 -13.498 1.00 0.00 H new ATOM 0 HH22 ARG A 22 -4.460 -16.761 -14.232 1.00 0.00 H new ATOM 329 N LYS A 23 -0.942 -9.862 -11.473 1.00 0.00 N ATOM 330 CA LYS A 23 0.376 -9.557 -12.002 1.00 0.00 C ATOM 331 C LYS A 23 1.300 -10.757 -11.785 1.00 0.00 C ATOM 332 O LYS A 23 1.577 -11.509 -12.718 1.00 0.00 O ATOM 333 CB LYS A 23 0.908 -8.255 -11.398 1.00 0.00 C ATOM 334 CG LYS A 23 1.605 -7.402 -12.460 1.00 0.00 C ATOM 335 CD LYS A 23 0.587 -6.776 -13.415 1.00 0.00 C ATOM 336 CE LYS A 23 0.942 -5.319 -13.716 1.00 0.00 C ATOM 337 NZ LYS A 23 0.439 -4.431 -12.644 1.00 0.00 N ATOM 0 H LYS A 23 -0.944 -10.250 -10.530 1.00 0.00 H new ATOM 0 HA LYS A 23 0.323 -9.385 -13.077 1.00 0.00 H new ATOM 0 HB2 LYS A 23 0.086 -7.692 -10.957 1.00 0.00 H new ATOM 0 HB3 LYS A 23 1.607 -8.482 -10.593 1.00 0.00 H new ATOM 0 HG2 LYS A 23 2.186 -6.617 -11.977 1.00 0.00 H new ATOM 0 HG3 LYS A 23 2.307 -8.018 -13.023 1.00 0.00 H new ATOM 0 HD2 LYS A 23 0.556 -7.346 -14.344 1.00 0.00 H new ATOM 0 HD3 LYS A 23 -0.409 -6.828 -12.976 1.00 0.00 H new ATOM 0 HE2 LYS A 23 2.023 -5.213 -13.807 1.00 0.00 H new ATOM 0 HE3 LYS A 23 0.511 -5.024 -14.673 1.00 0.00 H new ATOM 0 HZ1 LYS A 23 0.688 -3.446 -12.864 1.00 0.00 H new ATOM 0 HZ2 LYS A 23 -0.595 -4.520 -12.576 1.00 0.00 H new ATOM 0 HZ3 LYS A 23 0.870 -4.703 -11.737 1.00 0.00 H new ATOM 351 N ALA A 24 1.750 -10.900 -10.547 1.00 0.00 N ATOM 352 CA ALA A 24 2.636 -11.997 -10.195 1.00 0.00 C ATOM 353 C ALA A 24 1.884 -12.990 -9.307 1.00 0.00 C ATOM 354 O ALA A 24 1.343 -12.613 -8.269 1.00 0.00 O ATOM 355 CB ALA A 24 3.891 -11.442 -9.517 1.00 0.00 C ATOM 0 H ALA A 24 1.518 -10.275 -9.775 1.00 0.00 H new ATOM 0 HA ALA A 24 2.958 -12.532 -11.088 1.00 0.00 H new ATOM 0 HB1 ALA A 24 4.556 -12.264 -9.253 1.00 0.00 H new ATOM 0 HB2 ALA A 24 4.405 -10.765 -10.200 1.00 0.00 H new ATOM 0 HB3 ALA A 24 3.608 -10.900 -8.615 1.00 0.00 H new ATOM 361 N LYS A 25 1.874 -14.239 -9.748 1.00 0.00 N ATOM 362 CA LYS A 25 1.197 -15.289 -9.006 1.00 0.00 C ATOM 363 C LYS A 25 1.642 -15.242 -7.543 1.00 0.00 C ATOM 364 O LYS A 25 0.830 -15.003 -6.650 1.00 0.00 O ATOM 365 CB LYS A 25 1.422 -16.647 -9.673 1.00 0.00 C ATOM 366 CG LYS A 25 0.255 -17.005 -10.596 1.00 0.00 C ATOM 367 CD LYS A 25 0.635 -16.804 -12.064 1.00 0.00 C ATOM 368 CE LYS A 25 0.720 -18.144 -12.797 1.00 0.00 C ATOM 369 NZ LYS A 25 2.099 -18.677 -12.744 1.00 0.00 N ATOM 0 H LYS A 25 2.324 -14.548 -10.610 1.00 0.00 H new ATOM 0 HA LYS A 25 0.119 -15.129 -9.017 1.00 0.00 H new ATOM 0 HB2 LYS A 25 2.350 -16.626 -10.245 1.00 0.00 H new ATOM 0 HB3 LYS A 25 1.536 -17.417 -8.910 1.00 0.00 H new ATOM 0 HG2 LYS A 25 -0.039 -18.042 -10.431 1.00 0.00 H new ATOM 0 HG3 LYS A 25 -0.609 -16.387 -10.352 1.00 0.00 H new ATOM 0 HD2 LYS A 25 -0.103 -16.166 -12.550 1.00 0.00 H new ATOM 0 HD3 LYS A 25 1.594 -16.289 -12.128 1.00 0.00 H new ATOM 0 HE2 LYS A 25 0.031 -18.857 -12.345 1.00 0.00 H new ATOM 0 HE3 LYS A 25 0.412 -18.018 -13.835 1.00 0.00 H new ATOM 0 HZ1 LYS A 25 2.139 -19.587 -13.246 1.00 0.00 H new ATOM 0 HZ2 LYS A 25 2.749 -18.003 -13.196 1.00 0.00 H new ATOM 0 HZ3 LYS A 25 2.379 -18.816 -11.752 1.00 0.00 H new ATOM 383 N GLU A 26 2.931 -15.474 -7.341 1.00 0.00 N ATOM 384 CA GLU A 26 3.494 -15.461 -6.002 1.00 0.00 C ATOM 385 C GLU A 26 4.791 -14.651 -5.979 1.00 0.00 C ATOM 386 O GLU A 26 5.871 -15.195 -6.207 1.00 0.00 O ATOM 387 CB GLU A 26 3.727 -16.884 -5.491 1.00 0.00 C ATOM 388 CG GLU A 26 2.779 -17.214 -4.336 1.00 0.00 C ATOM 389 CD GLU A 26 3.500 -18.007 -3.244 1.00 0.00 C ATOM 390 OE1 GLU A 26 4.608 -18.513 -3.475 1.00 0.00 O ATOM 391 OE2 GLU A 26 2.869 -18.087 -2.122 1.00 0.00 O ATOM 0 H GLU A 26 3.602 -15.672 -8.083 1.00 0.00 H new ATOM 0 HA GLU A 26 2.778 -14.983 -5.333 1.00 0.00 H new ATOM 0 HB2 GLU A 26 3.577 -17.595 -6.303 1.00 0.00 H new ATOM 0 HB3 GLU A 26 4.760 -16.991 -5.160 1.00 0.00 H new ATOM 0 HG2 GLU A 26 2.377 -16.292 -3.916 1.00 0.00 H new ATOM 0 HG3 GLU A 26 1.932 -17.790 -4.709 1.00 0.00 H new ATOM 398 N ALA A 27 4.643 -13.364 -5.702 1.00 0.00 N ATOM 399 CA ALA A 27 5.790 -12.474 -5.646 1.00 0.00 C ATOM 400 C ALA A 27 5.960 -11.955 -4.217 1.00 0.00 C ATOM 401 O ALA A 27 4.991 -11.876 -3.463 1.00 0.00 O ATOM 402 CB ALA A 27 5.608 -11.342 -6.659 1.00 0.00 C ATOM 0 H ALA A 27 3.746 -12.916 -5.514 1.00 0.00 H new ATOM 0 HA ALA A 27 6.702 -13.008 -5.913 1.00 0.00 H new ATOM 0 HB1 ALA A 27 6.469 -10.674 -6.617 1.00 0.00 H new ATOM 0 HB2 ALA A 27 5.523 -11.761 -7.662 1.00 0.00 H new ATOM 0 HB3 ALA A 27 4.703 -10.783 -6.421 1.00 0.00 H new ATOM 408 N PRO A 28 7.230 -11.607 -3.878 1.00 0.00 N ATOM 409 CA PRO A 28 7.538 -11.099 -2.553 1.00 0.00 C ATOM 410 C PRO A 28 7.063 -9.653 -2.396 1.00 0.00 C ATOM 411 O PRO A 28 6.233 -9.181 -3.171 1.00 0.00 O ATOM 412 CB PRO A 28 9.045 -11.247 -2.415 1.00 0.00 C ATOM 413 CG PRO A 28 9.580 -11.397 -3.830 1.00 0.00 C ATOM 414 CD PRO A 28 8.402 -11.688 -4.745 1.00 0.00 C ATOM 0 HA PRO A 28 7.023 -11.646 -1.763 1.00 0.00 H new ATOM 0 HB2 PRO A 28 9.480 -10.377 -1.923 1.00 0.00 H new ATOM 0 HB3 PRO A 28 9.298 -12.116 -1.807 1.00 0.00 H new ATOM 0 HG2 PRO A 28 10.091 -10.487 -4.143 1.00 0.00 H new ATOM 0 HG3 PRO A 28 10.310 -12.205 -3.879 1.00 0.00 H new ATOM 0 HD2 PRO A 28 8.344 -10.964 -5.558 1.00 0.00 H new ATOM 0 HD3 PRO A 28 8.489 -12.674 -5.202 1.00 0.00 H new ATOM 422 N PHE A 29 7.610 -8.990 -1.387 1.00 0.00 N ATOM 423 CA PHE A 29 7.253 -7.607 -1.119 1.00 0.00 C ATOM 424 C PHE A 29 8.177 -6.646 -1.870 1.00 0.00 C ATOM 425 O PHE A 29 7.928 -5.442 -1.908 1.00 0.00 O ATOM 426 CB PHE A 29 7.421 -7.386 0.386 1.00 0.00 C ATOM 427 CG PHE A 29 7.627 -5.922 0.780 1.00 0.00 C ATOM 428 CD1 PHE A 29 8.811 -5.307 0.516 1.00 0.00 C ATOM 429 CD2 PHE A 29 6.627 -5.236 1.394 1.00 0.00 C ATOM 430 CE1 PHE A 29 9.003 -3.948 0.882 1.00 0.00 C ATOM 431 CE2 PHE A 29 6.818 -3.877 1.760 1.00 0.00 C ATOM 432 CZ PHE A 29 8.002 -3.262 1.496 1.00 0.00 C ATOM 0 H PHE A 29 8.298 -9.385 -0.745 1.00 0.00 H new ATOM 0 HA PHE A 29 6.231 -7.416 -1.447 1.00 0.00 H new ATOM 0 HB2 PHE A 29 6.540 -7.769 0.900 1.00 0.00 H new ATOM 0 HB3 PHE A 29 8.273 -7.969 0.736 1.00 0.00 H new ATOM 0 HD1 PHE A 29 9.605 -5.852 0.028 1.00 0.00 H new ATOM 0 HD2 PHE A 29 5.687 -5.724 1.604 1.00 0.00 H new ATOM 0 HE1 PHE A 29 9.943 -3.460 0.673 1.00 0.00 H new ATOM 0 HE2 PHE A 29 6.023 -3.332 2.248 1.00 0.00 H new ATOM 0 HZ PHE A 29 8.147 -2.229 1.774 1.00 0.00 H new ATOM 442 N VAL A 30 9.224 -7.215 -2.450 1.00 0.00 N ATOM 443 CA VAL A 30 10.186 -6.424 -3.198 1.00 0.00 C ATOM 444 C VAL A 30 9.439 -5.468 -4.130 1.00 0.00 C ATOM 445 O VAL A 30 9.695 -4.265 -4.127 1.00 0.00 O ATOM 446 CB VAL A 30 11.158 -7.345 -3.939 1.00 0.00 C ATOM 447 CG1 VAL A 30 11.395 -6.854 -5.369 1.00 0.00 C ATOM 448 CG2 VAL A 30 12.478 -7.476 -3.177 1.00 0.00 C ATOM 0 H VAL A 30 9.427 -8.214 -2.417 1.00 0.00 H new ATOM 0 HA VAL A 30 10.787 -5.815 -2.523 1.00 0.00 H new ATOM 0 HB VAL A 30 10.705 -8.335 -3.996 1.00 0.00 H new ATOM 0 HG11 VAL A 30 12.089 -7.526 -5.874 1.00 0.00 H new ATOM 0 HG12 VAL A 30 10.449 -6.837 -5.909 1.00 0.00 H new ATOM 0 HG13 VAL A 30 11.816 -5.849 -5.344 1.00 0.00 H new ATOM 0 HG21 VAL A 30 13.151 -8.136 -3.725 1.00 0.00 H new ATOM 0 HG22 VAL A 30 12.938 -6.493 -3.074 1.00 0.00 H new ATOM 0 HG23 VAL A 30 12.287 -7.893 -2.188 1.00 0.00 H new ATOM 458 N PRO A 31 8.506 -6.055 -4.926 1.00 0.00 N ATOM 459 CA PRO A 31 7.719 -5.269 -5.862 1.00 0.00 C ATOM 460 C PRO A 31 6.642 -4.464 -5.133 1.00 0.00 C ATOM 461 O PRO A 31 6.142 -3.470 -5.657 1.00 0.00 O ATOM 462 CB PRO A 31 7.145 -6.281 -6.840 1.00 0.00 C ATOM 463 CG PRO A 31 7.247 -7.631 -6.151 1.00 0.00 C ATOM 464 CD PRO A 31 8.175 -7.476 -4.957 1.00 0.00 C ATOM 0 HA PRO A 31 8.313 -4.521 -6.387 1.00 0.00 H new ATOM 0 HB2 PRO A 31 6.109 -6.044 -7.084 1.00 0.00 H new ATOM 0 HB3 PRO A 31 7.702 -6.278 -7.777 1.00 0.00 H new ATOM 0 HG2 PRO A 31 6.263 -7.970 -5.828 1.00 0.00 H new ATOM 0 HG3 PRO A 31 7.633 -8.383 -6.839 1.00 0.00 H new ATOM 0 HD2 PRO A 31 7.688 -7.789 -4.034 1.00 0.00 H new ATOM 0 HD3 PRO A 31 9.070 -8.089 -5.069 1.00 0.00 H new ATOM 472 N VAL A 32 6.315 -4.925 -3.934 1.00 0.00 N ATOM 473 CA VAL A 32 5.305 -4.260 -3.127 1.00 0.00 C ATOM 474 C VAL A 32 5.844 -2.908 -2.656 1.00 0.00 C ATOM 475 O VAL A 32 5.121 -1.913 -2.658 1.00 0.00 O ATOM 476 CB VAL A 32 4.878 -5.169 -1.972 1.00 0.00 C ATOM 477 CG1 VAL A 32 3.990 -4.414 -0.981 1.00 0.00 C ATOM 478 CG2 VAL A 32 4.174 -6.423 -2.493 1.00 0.00 C ATOM 0 H VAL A 32 6.731 -5.750 -3.502 1.00 0.00 H new ATOM 0 HA VAL A 32 4.410 -4.065 -3.718 1.00 0.00 H new ATOM 0 HB VAL A 32 5.777 -5.485 -1.444 1.00 0.00 H new ATOM 0 HG11 VAL A 32 3.700 -5.082 -0.170 1.00 0.00 H new ATOM 0 HG12 VAL A 32 4.539 -3.565 -0.573 1.00 0.00 H new ATOM 0 HG13 VAL A 32 3.097 -4.056 -1.493 1.00 0.00 H new ATOM 0 HG21 VAL A 32 3.881 -7.052 -1.652 1.00 0.00 H new ATOM 0 HG22 VAL A 32 3.287 -6.135 -3.057 1.00 0.00 H new ATOM 0 HG23 VAL A 32 4.852 -6.978 -3.142 1.00 0.00 H new ATOM 488 N GLY A 33 7.109 -2.915 -2.264 1.00 0.00 N ATOM 489 CA GLY A 33 7.753 -1.702 -1.791 1.00 0.00 C ATOM 490 C GLY A 33 8.148 -0.799 -2.961 1.00 0.00 C ATOM 491 O GLY A 33 7.945 0.413 -2.911 1.00 0.00 O ATOM 0 H GLY A 33 7.706 -3.742 -2.264 1.00 0.00 H new ATOM 0 HA2 GLY A 33 7.079 -1.165 -1.124 1.00 0.00 H new ATOM 0 HA3 GLY A 33 8.639 -1.959 -1.210 1.00 0.00 H new ATOM 495 N ILE A 34 8.705 -1.424 -3.988 1.00 0.00 N ATOM 496 CA ILE A 34 9.130 -0.693 -5.169 1.00 0.00 C ATOM 497 C ILE A 34 7.912 -0.038 -5.824 1.00 0.00 C ATOM 498 O ILE A 34 7.846 1.186 -5.936 1.00 0.00 O ATOM 499 CB ILE A 34 9.917 -1.606 -6.111 1.00 0.00 C ATOM 500 CG1 ILE A 34 11.233 -2.052 -5.469 1.00 0.00 C ATOM 501 CG2 ILE A 34 10.140 -0.934 -7.467 1.00 0.00 C ATOM 502 CD1 ILE A 34 12.252 -0.910 -5.457 1.00 0.00 C ATOM 0 H ILE A 34 8.872 -2.430 -4.026 1.00 0.00 H new ATOM 0 HA ILE A 34 9.815 0.109 -4.894 1.00 0.00 H new ATOM 0 HB ILE A 34 9.325 -2.504 -6.290 1.00 0.00 H new ATOM 0 HG12 ILE A 34 11.048 -2.390 -4.449 1.00 0.00 H new ATOM 0 HG13 ILE A 34 11.640 -2.901 -6.018 1.00 0.00 H new ATOM 0 HG21 ILE A 34 10.702 -1.604 -8.117 1.00 0.00 H new ATOM 0 HG22 ILE A 34 9.177 -0.708 -7.924 1.00 0.00 H new ATOM 0 HG23 ILE A 34 10.701 -0.010 -7.327 1.00 0.00 H new ATOM 0 HD11 ILE A 34 13.178 -1.253 -4.996 1.00 0.00 H new ATOM 0 HD12 ILE A 34 12.453 -0.591 -6.480 1.00 0.00 H new ATOM 0 HD13 ILE A 34 11.852 -0.071 -4.887 1.00 0.00 H new ATOM 514 N ALA A 35 6.978 -0.881 -6.238 1.00 0.00 N ATOM 515 CA ALA A 35 5.766 -0.399 -6.878 1.00 0.00 C ATOM 516 C ALA A 35 4.972 0.450 -5.884 1.00 0.00 C ATOM 517 O ALA A 35 4.522 1.545 -6.218 1.00 0.00 O ATOM 518 CB ALA A 35 4.959 -1.588 -7.404 1.00 0.00 C ATOM 0 H ALA A 35 7.036 -1.895 -6.143 1.00 0.00 H new ATOM 0 HA ALA A 35 6.009 0.234 -7.732 1.00 0.00 H new ATOM 0 HB1 ALA A 35 4.050 -1.227 -7.884 1.00 0.00 H new ATOM 0 HB2 ALA A 35 5.557 -2.141 -8.128 1.00 0.00 H new ATOM 0 HB3 ALA A 35 4.695 -2.244 -6.575 1.00 0.00 H new ATOM 524 N GLY A 36 4.824 -0.087 -4.682 1.00 0.00 N ATOM 525 CA GLY A 36 4.092 0.608 -3.637 1.00 0.00 C ATOM 526 C GLY A 36 4.570 2.055 -3.501 1.00 0.00 C ATOM 527 O GLY A 36 3.769 2.986 -3.570 1.00 0.00 O ATOM 0 H GLY A 36 5.199 -0.995 -4.408 1.00 0.00 H new ATOM 0 HA2 GLY A 36 3.026 0.593 -3.864 1.00 0.00 H new ATOM 0 HA3 GLY A 36 4.223 0.087 -2.688 1.00 0.00 H new ATOM 531 N PHE A 37 5.874 2.199 -3.312 1.00 0.00 N ATOM 532 CA PHE A 37 6.468 3.516 -3.167 1.00 0.00 C ATOM 533 C PHE A 37 6.212 4.374 -4.408 1.00 0.00 C ATOM 534 O PHE A 37 5.881 5.553 -4.295 1.00 0.00 O ATOM 535 CB PHE A 37 7.976 3.312 -3.006 1.00 0.00 C ATOM 536 CG PHE A 37 8.728 4.561 -2.544 1.00 0.00 C ATOM 537 CD1 PHE A 37 9.012 5.551 -3.432 1.00 0.00 C ATOM 538 CD2 PHE A 37 9.113 4.682 -1.245 1.00 0.00 C ATOM 539 CE1 PHE A 37 9.710 6.711 -3.004 1.00 0.00 C ATOM 540 CE2 PHE A 37 9.811 5.842 -0.817 1.00 0.00 C ATOM 541 CZ PHE A 37 10.094 6.832 -1.705 1.00 0.00 C ATOM 0 H PHE A 37 6.535 1.424 -3.256 1.00 0.00 H new ATOM 0 HA PHE A 37 6.032 4.027 -2.309 1.00 0.00 H new ATOM 0 HB2 PHE A 37 8.149 2.510 -2.288 1.00 0.00 H new ATOM 0 HB3 PHE A 37 8.391 2.982 -3.958 1.00 0.00 H new ATOM 0 HD1 PHE A 37 8.706 5.455 -4.463 1.00 0.00 H new ATOM 0 HD2 PHE A 37 8.888 3.896 -0.539 1.00 0.00 H new ATOM 0 HE1 PHE A 37 9.936 7.497 -3.710 1.00 0.00 H new ATOM 0 HE2 PHE A 37 10.117 5.938 0.214 1.00 0.00 H new ATOM 0 HZ PHE A 37 10.624 7.715 -1.379 1.00 0.00 H new ATOM 551 N ALA A 38 6.374 3.747 -5.565 1.00 0.00 N ATOM 552 CA ALA A 38 6.164 4.438 -6.825 1.00 0.00 C ATOM 553 C ALA A 38 4.757 5.040 -6.844 1.00 0.00 C ATOM 554 O ALA A 38 4.597 6.246 -7.025 1.00 0.00 O ATOM 555 CB ALA A 38 6.398 3.467 -7.985 1.00 0.00 C ATOM 0 H ALA A 38 6.648 2.769 -5.655 1.00 0.00 H new ATOM 0 HA ALA A 38 6.875 5.257 -6.936 1.00 0.00 H new ATOM 0 HB1 ALA A 38 6.240 3.985 -8.931 1.00 0.00 H new ATOM 0 HB2 ALA A 38 7.420 3.090 -7.944 1.00 0.00 H new ATOM 0 HB3 ALA A 38 5.700 2.633 -7.908 1.00 0.00 H new ATOM 561 N ALA A 39 3.774 4.172 -6.655 1.00 0.00 N ATOM 562 CA ALA A 39 2.387 4.603 -6.647 1.00 0.00 C ATOM 563 C ALA A 39 2.201 5.693 -5.590 1.00 0.00 C ATOM 564 O ALA A 39 1.798 6.810 -5.909 1.00 0.00 O ATOM 565 CB ALA A 39 1.478 3.396 -6.406 1.00 0.00 C ATOM 0 H ALA A 39 3.911 3.172 -6.506 1.00 0.00 H new ATOM 0 HA ALA A 39 2.113 5.030 -7.612 1.00 0.00 H new ATOM 0 HB1 ALA A 39 0.437 3.720 -6.400 1.00 0.00 H new ATOM 0 HB2 ALA A 39 1.626 2.665 -7.201 1.00 0.00 H new ATOM 0 HB3 ALA A 39 1.722 2.943 -5.445 1.00 0.00 H new ATOM 571 N ILE A 40 2.503 5.329 -4.352 1.00 0.00 N ATOM 572 CA ILE A 40 2.375 6.262 -3.246 1.00 0.00 C ATOM 573 C ILE A 40 2.852 7.646 -3.692 1.00 0.00 C ATOM 574 O ILE A 40 2.114 8.624 -3.590 1.00 0.00 O ATOM 575 CB ILE A 40 3.102 5.730 -2.009 1.00 0.00 C ATOM 576 CG1 ILE A 40 2.319 4.586 -1.362 1.00 0.00 C ATOM 577 CG2 ILE A 40 3.393 6.858 -1.017 1.00 0.00 C ATOM 578 CD1 ILE A 40 3.224 3.742 -0.463 1.00 0.00 C ATOM 0 H ILE A 40 2.836 4.401 -4.091 1.00 0.00 H new ATOM 0 HA ILE A 40 1.330 6.364 -2.954 1.00 0.00 H new ATOM 0 HB ILE A 40 4.062 5.324 -2.326 1.00 0.00 H new ATOM 0 HG12 ILE A 40 1.494 4.991 -0.776 1.00 0.00 H new ATOM 0 HG13 ILE A 40 1.881 3.957 -2.137 1.00 0.00 H new ATOM 0 HG21 ILE A 40 3.910 6.453 -0.147 1.00 0.00 H new ATOM 0 HG22 ILE A 40 4.021 7.610 -1.495 1.00 0.00 H new ATOM 0 HG23 ILE A 40 2.456 7.316 -0.701 1.00 0.00 H new ATOM 0 HD11 ILE A 40 2.643 2.936 -0.015 1.00 0.00 H new ATOM 0 HD12 ILE A 40 4.034 3.319 -1.057 1.00 0.00 H new ATOM 0 HD13 ILE A 40 3.641 4.369 0.325 1.00 0.00 H new ATOM 590 N VAL A 41 4.084 7.682 -4.178 1.00 0.00 N ATOM 591 CA VAL A 41 4.669 8.929 -4.641 1.00 0.00 C ATOM 592 C VAL A 41 3.687 9.630 -5.582 1.00 0.00 C ATOM 593 O VAL A 41 3.334 10.788 -5.367 1.00 0.00 O ATOM 594 CB VAL A 41 6.030 8.661 -5.288 1.00 0.00 C ATOM 595 CG1 VAL A 41 6.440 9.818 -6.201 1.00 0.00 C ATOM 596 CG2 VAL A 41 7.099 8.395 -4.226 1.00 0.00 C ATOM 0 H VAL A 41 4.693 6.868 -4.261 1.00 0.00 H new ATOM 0 HA VAL A 41 4.850 9.600 -3.802 1.00 0.00 H new ATOM 0 HB VAL A 41 5.938 7.765 -5.903 1.00 0.00 H new ATOM 0 HG11 VAL A 41 7.410 9.602 -6.648 1.00 0.00 H new ATOM 0 HG12 VAL A 41 5.697 9.941 -6.989 1.00 0.00 H new ATOM 0 HG13 VAL A 41 6.505 10.736 -5.618 1.00 0.00 H new ATOM 0 HG21 VAL A 41 8.056 8.208 -4.712 1.00 0.00 H new ATOM 0 HG22 VAL A 41 7.187 9.263 -3.573 1.00 0.00 H new ATOM 0 HG23 VAL A 41 6.816 7.524 -3.635 1.00 0.00 H new ATOM 606 N ALA A 42 3.275 8.898 -6.607 1.00 0.00 N ATOM 607 CA ALA A 42 2.341 9.434 -7.582 1.00 0.00 C ATOM 608 C ALA A 42 1.136 10.032 -6.853 1.00 0.00 C ATOM 609 O ALA A 42 0.857 11.223 -6.980 1.00 0.00 O ATOM 610 CB ALA A 42 1.940 8.333 -8.565 1.00 0.00 C ATOM 0 H ALA A 42 3.571 7.938 -6.783 1.00 0.00 H new ATOM 0 HA ALA A 42 2.806 10.233 -8.160 1.00 0.00 H new ATOM 0 HB1 ALA A 42 1.239 8.736 -9.296 1.00 0.00 H new ATOM 0 HB2 ALA A 42 2.827 7.963 -9.078 1.00 0.00 H new ATOM 0 HB3 ALA A 42 1.467 7.515 -8.022 1.00 0.00 H new ATOM 616 N TYR A 43 0.454 9.177 -6.104 1.00 0.00 N ATOM 617 CA TYR A 43 -0.714 9.605 -5.355 1.00 0.00 C ATOM 618 C TYR A 43 -0.492 10.987 -4.736 1.00 0.00 C ATOM 619 O TYR A 43 -1.255 11.917 -4.994 1.00 0.00 O ATOM 620 CB TYR A 43 -0.895 8.580 -4.233 1.00 0.00 C ATOM 621 CG TYR A 43 -2.340 8.117 -4.041 1.00 0.00 C ATOM 622 CD1 TYR A 43 -2.878 7.165 -4.882 1.00 0.00 C ATOM 623 CD2 TYR A 43 -3.106 8.652 -3.025 1.00 0.00 C ATOM 624 CE1 TYR A 43 -4.239 6.730 -4.701 1.00 0.00 C ATOM 625 CE2 TYR A 43 -4.467 8.217 -2.843 1.00 0.00 C ATOM 626 CZ TYR A 43 -4.966 7.277 -3.690 1.00 0.00 C ATOM 627 OH TYR A 43 -6.251 6.866 -3.519 1.00 0.00 O ATOM 0 H TYR A 43 0.689 8.190 -6.000 1.00 0.00 H new ATOM 0 HA TYR A 43 -1.585 9.669 -6.007 1.00 0.00 H new ATOM 0 HB2 TYR A 43 -0.271 7.712 -4.444 1.00 0.00 H new ATOM 0 HB3 TYR A 43 -0.535 9.012 -3.299 1.00 0.00 H new ATOM 0 HD1 TYR A 43 -2.278 6.746 -5.676 1.00 0.00 H new ATOM 0 HD2 TYR A 43 -2.685 9.397 -2.366 1.00 0.00 H new ATOM 0 HE1 TYR A 43 -4.672 5.986 -5.353 1.00 0.00 H new ATOM 0 HE2 TYR A 43 -5.077 8.628 -2.052 1.00 0.00 H new ATOM 0 HH TYR A 43 -6.648 7.341 -2.759 1.00 0.00 H new ATOM 637 N GLY A 44 0.556 11.078 -3.930 1.00 0.00 N ATOM 638 CA GLY A 44 0.888 12.330 -3.272 1.00 0.00 C ATOM 639 C GLY A 44 0.921 13.485 -4.276 1.00 0.00 C ATOM 640 O GLY A 44 0.247 14.496 -4.087 1.00 0.00 O ATOM 0 H GLY A 44 1.186 10.305 -3.718 1.00 0.00 H new ATOM 0 HA2 GLY A 44 0.155 12.541 -2.493 1.00 0.00 H new ATOM 0 HA3 GLY A 44 1.858 12.242 -2.782 1.00 0.00 H new ATOM 644 N LEU A 45 1.712 13.295 -5.322 1.00 0.00 N ATOM 645 CA LEU A 45 1.842 14.308 -6.355 1.00 0.00 C ATOM 646 C LEU A 45 0.449 14.733 -6.824 1.00 0.00 C ATOM 647 O LEU A 45 0.179 15.923 -6.977 1.00 0.00 O ATOM 648 CB LEU A 45 2.746 13.808 -7.484 1.00 0.00 C ATOM 649 CG LEU A 45 4.172 14.362 -7.498 1.00 0.00 C ATOM 650 CD1 LEU A 45 5.153 13.336 -8.070 1.00 0.00 C ATOM 651 CD2 LEU A 45 4.236 15.695 -8.245 1.00 0.00 C ATOM 0 H LEU A 45 2.269 12.455 -5.476 1.00 0.00 H new ATOM 0 HA LEU A 45 2.330 15.198 -5.958 1.00 0.00 H new ATOM 0 HB2 LEU A 45 2.801 12.721 -7.424 1.00 0.00 H new ATOM 0 HB3 LEU A 45 2.274 14.052 -8.436 1.00 0.00 H new ATOM 0 HG LEU A 45 4.473 14.556 -6.468 1.00 0.00 H new ATOM 0 HD11 LEU A 45 6.159 13.755 -8.069 1.00 0.00 H new ATOM 0 HD12 LEU A 45 5.134 12.434 -7.458 1.00 0.00 H new ATOM 0 HD13 LEU A 45 4.865 13.087 -9.091 1.00 0.00 H new ATOM 0 HD21 LEU A 45 5.261 16.066 -8.240 1.00 0.00 H new ATOM 0 HD22 LEU A 45 3.907 15.551 -9.274 1.00 0.00 H new ATOM 0 HD23 LEU A 45 3.585 16.419 -7.754 1.00 0.00 H new ATOM 663 N TYR A 46 -0.397 13.737 -7.040 1.00 0.00 N ATOM 664 CA TYR A 46 -1.756 13.994 -7.488 1.00 0.00 C ATOM 665 C TYR A 46 -2.570 14.692 -6.398 1.00 0.00 C ATOM 666 O TYR A 46 -3.348 15.601 -6.685 1.00 0.00 O ATOM 667 CB TYR A 46 -2.373 12.622 -7.769 1.00 0.00 C ATOM 668 CG TYR A 46 -3.436 12.632 -8.869 1.00 0.00 C ATOM 669 CD1 TYR A 46 -3.072 12.425 -10.184 1.00 0.00 C ATOM 670 CD2 TYR A 46 -4.761 12.847 -8.546 1.00 0.00 C ATOM 671 CE1 TYR A 46 -4.073 12.435 -11.219 1.00 0.00 C ATOM 672 CE2 TYR A 46 -5.762 12.857 -9.581 1.00 0.00 C ATOM 673 CZ TYR A 46 -5.369 12.650 -10.866 1.00 0.00 C ATOM 674 OH TYR A 46 -6.314 12.659 -11.843 1.00 0.00 O ATOM 0 H TYR A 46 -0.169 12.751 -6.913 1.00 0.00 H new ATOM 0 HA TYR A 46 -1.755 14.640 -8.366 1.00 0.00 H new ATOM 0 HB2 TYR A 46 -1.580 11.929 -8.050 1.00 0.00 H new ATOM 0 HB3 TYR A 46 -2.819 12.240 -6.850 1.00 0.00 H new ATOM 0 HD1 TYR A 46 -2.036 12.255 -10.437 1.00 0.00 H new ATOM 0 HD2 TYR A 46 -5.047 13.008 -7.517 1.00 0.00 H new ATOM 0 HE1 TYR A 46 -3.801 12.275 -12.252 1.00 0.00 H new ATOM 0 HE2 TYR A 46 -6.802 13.025 -9.342 1.00 0.00 H new ATOM 0 HH TYR A 46 -7.194 12.823 -11.445 1.00 0.00 H new ATOM 684 N LYS A 47 -2.365 14.241 -5.169 1.00 0.00 N ATOM 685 CA LYS A 47 -3.071 14.812 -4.035 1.00 0.00 C ATOM 686 C LYS A 47 -2.797 16.316 -3.973 1.00 0.00 C ATOM 687 O LYS A 47 -3.715 17.110 -3.774 1.00 0.00 O ATOM 688 CB LYS A 47 -2.707 14.068 -2.748 1.00 0.00 C ATOM 689 CG LYS A 47 -3.731 12.973 -2.440 1.00 0.00 C ATOM 690 CD LYS A 47 -3.320 12.170 -1.204 1.00 0.00 C ATOM 691 CE LYS A 47 -4.363 12.301 -0.093 1.00 0.00 C ATOM 692 NZ LYS A 47 -3.706 12.583 1.203 1.00 0.00 N ATOM 0 H LYS A 47 -1.720 13.487 -4.934 1.00 0.00 H new ATOM 0 HA LYS A 47 -4.147 14.688 -4.155 1.00 0.00 H new ATOM 0 HB2 LYS A 47 -1.715 13.626 -2.847 1.00 0.00 H new ATOM 0 HB3 LYS A 47 -2.661 14.772 -1.917 1.00 0.00 H new ATOM 0 HG2 LYS A 47 -4.711 13.422 -2.277 1.00 0.00 H new ATOM 0 HG3 LYS A 47 -3.824 12.306 -3.297 1.00 0.00 H new ATOM 0 HD2 LYS A 47 -3.199 11.120 -1.472 1.00 0.00 H new ATOM 0 HD3 LYS A 47 -2.353 12.521 -0.843 1.00 0.00 H new ATOM 0 HE2 LYS A 47 -5.062 13.101 -0.335 1.00 0.00 H new ATOM 0 HE3 LYS A 47 -4.944 11.381 -0.021 1.00 0.00 H new ATOM 0 HZ1 LYS A 47 -4.428 12.669 1.947 1.00 0.00 H new ATOM 0 HZ2 LYS A 47 -3.056 11.806 1.439 1.00 0.00 H new ATOM 0 HZ3 LYS A 47 -3.171 13.472 1.135 1.00 0.00 H new ATOM 706 N LEU A 48 -1.530 16.662 -4.147 1.00 0.00 N ATOM 707 CA LEU A 48 -1.124 18.057 -4.114 1.00 0.00 C ATOM 708 C LEU A 48 -2.157 18.902 -4.862 1.00 0.00 C ATOM 709 O LEU A 48 -2.762 19.805 -4.284 1.00 0.00 O ATOM 710 CB LEU A 48 0.301 18.213 -4.648 1.00 0.00 C ATOM 711 CG LEU A 48 1.338 18.734 -3.651 1.00 0.00 C ATOM 712 CD1 LEU A 48 2.736 18.751 -4.273 1.00 0.00 C ATOM 713 CD2 LEU A 48 0.935 20.106 -3.108 1.00 0.00 C ATOM 0 H LEU A 48 -0.771 16.001 -4.311 1.00 0.00 H new ATOM 0 HA LEU A 48 -1.097 18.422 -3.087 1.00 0.00 H new ATOM 0 HB2 LEU A 48 0.637 17.244 -5.018 1.00 0.00 H new ATOM 0 HB3 LEU A 48 0.276 18.890 -5.502 1.00 0.00 H new ATOM 0 HG LEU A 48 1.371 18.050 -2.803 1.00 0.00 H new ATOM 0 HD11 LEU A 48 3.454 19.125 -3.544 1.00 0.00 H new ATOM 0 HD12 LEU A 48 3.014 17.740 -4.570 1.00 0.00 H new ATOM 0 HD13 LEU A 48 2.737 19.400 -5.149 1.00 0.00 H new ATOM 0 HD21 LEU A 48 1.689 20.454 -2.402 1.00 0.00 H new ATOM 0 HD22 LEU A 48 0.856 20.815 -3.932 1.00 0.00 H new ATOM 0 HD23 LEU A 48 -0.028 20.029 -2.602 1.00 0.00 H new ATOM 725 N LYS A 49 -2.329 18.580 -6.136 1.00 0.00 N ATOM 726 CA LYS A 49 -3.278 19.298 -6.968 1.00 0.00 C ATOM 727 C LYS A 49 -4.701 18.962 -6.518 1.00 0.00 C ATOM 728 O LYS A 49 -5.045 17.792 -6.359 1.00 0.00 O ATOM 729 CB LYS A 49 -3.017 19.011 -8.448 1.00 0.00 C ATOM 730 CG LYS A 49 -3.383 20.218 -9.314 1.00 0.00 C ATOM 731 CD LYS A 49 -3.033 19.967 -10.782 1.00 0.00 C ATOM 732 CE LYS A 49 -1.774 20.737 -11.185 1.00 0.00 C ATOM 733 NZ LYS A 49 -1.274 20.263 -12.495 1.00 0.00 N ATOM 0 H LYS A 49 -1.826 17.831 -6.612 1.00 0.00 H new ATOM 0 HA LYS A 49 -3.151 20.374 -6.848 1.00 0.00 H new ATOM 0 HB2 LYS A 49 -1.966 18.760 -8.594 1.00 0.00 H new ATOM 0 HB3 LYS A 49 -3.598 18.144 -8.762 1.00 0.00 H new ATOM 0 HG2 LYS A 49 -4.449 20.427 -9.221 1.00 0.00 H new ATOM 0 HG3 LYS A 49 -2.853 21.101 -8.956 1.00 0.00 H new ATOM 0 HD2 LYS A 49 -2.879 18.900 -10.946 1.00 0.00 H new ATOM 0 HD3 LYS A 49 -3.867 20.270 -11.415 1.00 0.00 H new ATOM 0 HE2 LYS A 49 -1.994 21.803 -11.237 1.00 0.00 H new ATOM 0 HE3 LYS A 49 -1.003 20.607 -10.426 1.00 0.00 H new ATOM 0 HZ1 LYS A 49 -0.419 20.796 -12.754 1.00 0.00 H new ATOM 0 HZ2 LYS A 49 -1.045 19.250 -12.434 1.00 0.00 H new ATOM 0 HZ3 LYS A 49 -2.006 20.409 -13.219 1.00 0.00 H new ATOM 747 N SER A 50 -5.490 20.009 -6.326 1.00 0.00 N ATOM 748 CA SER A 50 -6.868 19.840 -5.897 1.00 0.00 C ATOM 749 C SER A 50 -7.815 20.084 -7.073 1.00 0.00 C ATOM 750 O SER A 50 -8.016 21.225 -7.487 1.00 0.00 O ATOM 751 CB SER A 50 -7.204 20.782 -4.739 1.00 0.00 C ATOM 752 OG SER A 50 -7.543 20.070 -3.552 1.00 0.00 O ATOM 0 H SER A 50 -5.201 20.978 -6.460 1.00 0.00 H new ATOM 0 HA SER A 50 -6.994 18.816 -5.544 1.00 0.00 H new ATOM 0 HB2 SER A 50 -6.351 21.431 -4.541 1.00 0.00 H new ATOM 0 HB3 SER A 50 -8.035 21.426 -5.025 1.00 0.00 H new ATOM 0 HG SER A 50 -7.749 20.707 -2.836 1.00 0.00 H new ATOM 758 N ARG A 51 -8.374 18.993 -7.578 1.00 0.00 N ATOM 759 CA ARG A 51 -9.296 19.075 -8.698 1.00 0.00 C ATOM 760 C ARG A 51 -9.805 17.680 -9.069 1.00 0.00 C ATOM 761 O ARG A 51 -9.271 17.041 -9.974 1.00 0.00 O ATOM 762 CB ARG A 51 -8.624 19.707 -9.919 1.00 0.00 C ATOM 763 CG ARG A 51 -9.557 20.711 -10.599 1.00 0.00 C ATOM 764 CD ARG A 51 -9.142 22.148 -10.280 1.00 0.00 C ATOM 765 NE ARG A 51 -9.977 22.685 -9.182 1.00 0.00 N ATOM 766 CZ ARG A 51 -9.767 23.877 -8.586 1.00 0.00 C ATOM 767 NH1 ARG A 51 -8.746 24.669 -8.977 1.00 0.00 N ATOM 768 NH2 ARG A 51 -10.575 24.258 -7.614 1.00 0.00 N ATOM 0 H ARG A 51 -8.206 18.048 -7.232 1.00 0.00 H new ATOM 0 HA ARG A 51 -10.134 19.702 -8.393 1.00 0.00 H new ATOM 0 HB2 ARG A 51 -7.705 20.208 -9.614 1.00 0.00 H new ATOM 0 HB3 ARG A 51 -8.343 18.928 -10.628 1.00 0.00 H new ATOM 0 HG2 ARG A 51 -9.541 20.555 -11.678 1.00 0.00 H new ATOM 0 HG3 ARG A 51 -10.582 20.543 -10.268 1.00 0.00 H new ATOM 0 HD2 ARG A 51 -8.090 22.177 -9.995 1.00 0.00 H new ATOM 0 HD3 ARG A 51 -9.249 22.772 -11.168 1.00 0.00 H new ATOM 0 HE ARG A 51 -10.760 22.119 -8.856 1.00 0.00 H new ATOM 0 HH11 ARG A 51 -8.126 24.368 -9.729 1.00 0.00 H new ATOM 0 HH12 ARG A 51 -8.595 25.569 -8.521 1.00 0.00 H new ATOM 0 HH21 ARG A 51 -11.344 23.654 -7.324 1.00 0.00 H new ATOM 0 HH22 ARG A 51 -10.430 25.156 -7.153 1.00 0.00 H new ATOM 782 N GLY A 52 -10.831 17.249 -8.350 1.00 0.00 N ATOM 783 CA GLY A 52 -11.418 15.942 -8.592 1.00 0.00 C ATOM 784 C GLY A 52 -11.969 15.340 -7.298 1.00 0.00 C ATOM 785 O GLY A 52 -12.604 16.037 -6.507 1.00 0.00 O ATOM 0 H GLY A 52 -11.271 17.782 -7.600 1.00 0.00 H new ATOM 0 HA2 GLY A 52 -12.219 16.029 -9.326 1.00 0.00 H new ATOM 0 HA3 GLY A 52 -10.667 15.275 -9.017 1.00 0.00 H new ATOM 789 N ASN A 53 -11.708 14.053 -7.123 1.00 0.00 N ATOM 790 CA ASN A 53 -12.171 13.350 -5.939 1.00 0.00 C ATOM 791 C ASN A 53 -11.084 13.403 -4.863 1.00 0.00 C ATOM 792 O ASN A 53 -10.007 12.835 -5.035 1.00 0.00 O ATOM 793 CB ASN A 53 -12.458 11.880 -6.249 1.00 0.00 C ATOM 794 CG ASN A 53 -11.261 11.220 -6.937 1.00 0.00 C ATOM 795 OD1 ASN A 53 -10.754 11.690 -7.942 1.00 0.00 O ATOM 796 ND2 ASN A 53 -10.840 10.108 -6.341 1.00 0.00 N ATOM 0 H ASN A 53 -11.182 13.479 -7.782 1.00 0.00 H new ATOM 0 HA ASN A 53 -13.087 13.832 -5.597 1.00 0.00 H new ATOM 0 HB2 ASN A 53 -12.690 11.349 -5.326 1.00 0.00 H new ATOM 0 HB3 ASN A 53 -13.337 11.805 -6.889 1.00 0.00 H new ATOM 0 HD21 ASN A 53 -10.047 9.593 -6.723 1.00 0.00 H new ATOM 0 HD22 ASN A 53 -11.311 9.770 -5.502 1.00 0.00 H new ATOM 803 N THR A 54 -11.405 14.091 -3.777 1.00 0.00 N ATOM 804 CA THR A 54 -10.470 14.225 -2.673 1.00 0.00 C ATOM 805 C THR A 54 -11.188 14.022 -1.337 1.00 0.00 C ATOM 806 O THR A 54 -12.377 14.316 -1.217 1.00 0.00 O ATOM 807 CB THR A 54 -9.787 15.589 -2.795 1.00 0.00 C ATOM 808 OG1 THR A 54 -8.759 15.552 -1.809 1.00 0.00 O ATOM 809 CG2 THR A 54 -10.692 16.738 -2.346 1.00 0.00 C ATOM 0 H THR A 54 -12.299 14.561 -3.638 1.00 0.00 H new ATOM 0 HA THR A 54 -9.700 13.455 -2.712 1.00 0.00 H new ATOM 0 HB THR A 54 -9.480 15.750 -3.828 1.00 0.00 H new ATOM 0 HG1 THR A 54 -8.264 16.398 -1.820 1.00 0.00 H new ATOM 0 HG21 THR A 54 -10.160 17.683 -2.452 1.00 0.00 H new ATOM 0 HG22 THR A 54 -11.590 16.756 -2.963 1.00 0.00 H new ATOM 0 HG23 THR A 54 -10.971 16.595 -1.302 1.00 0.00 H new ATOM 817 N LYS A 55 -10.437 13.522 -0.368 1.00 0.00 N ATOM 818 CA LYS A 55 -10.988 13.276 0.955 1.00 0.00 C ATOM 819 C LYS A 55 -9.843 13.049 1.945 1.00 0.00 C ATOM 820 O LYS A 55 -8.696 12.863 1.541 1.00 0.00 O ATOM 821 CB LYS A 55 -11.999 12.129 0.910 1.00 0.00 C ATOM 822 CG LYS A 55 -13.417 12.637 1.178 1.00 0.00 C ATOM 823 CD LYS A 55 -14.391 11.471 1.359 1.00 0.00 C ATOM 824 CE LYS A 55 -14.553 11.116 2.838 1.00 0.00 C ATOM 825 NZ LYS A 55 -15.962 11.279 3.260 1.00 0.00 N ATOM 0 H LYS A 55 -9.451 13.280 -0.471 1.00 0.00 H new ATOM 0 HA LYS A 55 -11.544 14.146 1.304 1.00 0.00 H new ATOM 0 HB2 LYS A 55 -11.961 11.644 -0.065 1.00 0.00 H new ATOM 0 HB3 LYS A 55 -11.733 11.375 1.651 1.00 0.00 H new ATOM 0 HG2 LYS A 55 -13.421 13.261 2.072 1.00 0.00 H new ATOM 0 HG3 LYS A 55 -13.745 13.265 0.349 1.00 0.00 H new ATOM 0 HD2 LYS A 55 -15.361 11.734 0.936 1.00 0.00 H new ATOM 0 HD3 LYS A 55 -14.029 10.602 0.810 1.00 0.00 H new ATOM 0 HE2 LYS A 55 -14.233 10.088 3.008 1.00 0.00 H new ATOM 0 HE3 LYS A 55 -13.910 11.754 3.444 1.00 0.00 H new ATOM 0 HZ1 LYS A 55 -16.054 11.034 4.267 1.00 0.00 H new ATOM 0 HZ2 LYS A 55 -16.255 12.266 3.116 1.00 0.00 H new ATOM 0 HZ3 LYS A 55 -16.569 10.652 2.694 1.00 0.00 H new ATOM 839 N MET A 56 -10.195 13.072 3.222 1.00 0.00 N ATOM 840 CA MET A 56 -9.212 12.871 4.272 1.00 0.00 C ATOM 841 C MET A 56 -8.136 13.958 4.232 1.00 0.00 C ATOM 842 O MET A 56 -7.350 14.023 3.288 1.00 0.00 O ATOM 843 CB MET A 56 -8.557 11.498 4.104 1.00 0.00 C ATOM 844 CG MET A 56 -9.228 10.457 5.003 1.00 0.00 C ATOM 845 SD MET A 56 -9.486 8.942 4.095 1.00 0.00 S ATOM 846 CE MET A 56 -10.576 8.088 5.221 1.00 0.00 C ATOM 0 H MET A 56 -11.147 13.227 3.553 1.00 0.00 H new ATOM 0 HA MET A 56 -9.721 12.925 5.234 1.00 0.00 H new ATOM 0 HB2 MET A 56 -8.626 11.183 3.063 1.00 0.00 H new ATOM 0 HB3 MET A 56 -7.497 11.565 4.347 1.00 0.00 H new ATOM 0 HG2 MET A 56 -8.607 10.265 5.878 1.00 0.00 H new ATOM 0 HG3 MET A 56 -10.182 10.839 5.367 1.00 0.00 H new ATOM 0 HE1 MET A 56 -10.838 7.115 4.806 1.00 0.00 H new ATOM 0 HE2 MET A 56 -10.074 7.950 6.179 1.00 0.00 H new ATOM 0 HE3 MET A 56 -11.482 8.676 5.367 1.00 0.00 H new ATOM 856 N SER A 57 -8.135 14.784 5.268 1.00 0.00 N ATOM 857 CA SER A 57 -7.169 15.865 5.362 1.00 0.00 C ATOM 858 C SER A 57 -7.326 16.592 6.699 1.00 0.00 C ATOM 859 O SER A 57 -7.896 17.680 6.756 1.00 0.00 O ATOM 860 CB SER A 57 -7.328 16.849 4.202 1.00 0.00 C ATOM 861 OG SER A 57 -6.070 17.315 3.720 1.00 0.00 O ATOM 0 H SER A 57 -8.788 14.726 6.050 1.00 0.00 H new ATOM 0 HA SER A 57 -6.169 15.435 5.304 1.00 0.00 H new ATOM 0 HB2 SER A 57 -7.871 16.367 3.389 1.00 0.00 H new ATOM 0 HB3 SER A 57 -7.929 17.698 4.527 1.00 0.00 H new ATOM 0 HG SER A 57 -6.215 17.940 2.979 1.00 0.00 H new ATOM 867 N ILE A 58 -6.809 15.961 7.744 1.00 0.00 N ATOM 868 CA ILE A 58 -6.884 16.533 9.077 1.00 0.00 C ATOM 869 C ILE A 58 -5.537 16.356 9.780 1.00 0.00 C ATOM 870 O ILE A 58 -5.222 15.269 10.261 1.00 0.00 O ATOM 871 CB ILE A 58 -8.064 15.940 9.849 1.00 0.00 C ATOM 872 CG1 ILE A 58 -8.079 16.439 11.295 1.00 0.00 C ATOM 873 CG2 ILE A 58 -8.058 14.412 9.770 1.00 0.00 C ATOM 874 CD1 ILE A 58 -9.023 17.632 11.454 1.00 0.00 C ATOM 0 H ILE A 58 -6.336 15.059 7.694 1.00 0.00 H new ATOM 0 HA ILE A 58 -7.076 17.605 9.021 1.00 0.00 H new ATOM 0 HB ILE A 58 -8.986 16.283 9.380 1.00 0.00 H new ATOM 0 HG12 ILE A 58 -8.392 15.633 11.958 1.00 0.00 H new ATOM 0 HG13 ILE A 58 -7.071 16.726 11.595 1.00 0.00 H new ATOM 0 HG21 ILE A 58 -8.907 14.016 10.327 1.00 0.00 H new ATOM 0 HG22 ILE A 58 -8.131 14.101 8.728 1.00 0.00 H new ATOM 0 HG23 ILE A 58 -7.132 14.029 10.199 1.00 0.00 H new ATOM 0 HD11 ILE A 58 -9.015 17.967 12.491 1.00 0.00 H new ATOM 0 HD12 ILE A 58 -8.694 18.445 10.807 1.00 0.00 H new ATOM 0 HD13 ILE A 58 -10.034 17.335 11.177 1.00 0.00 H new ATOM 886 N HIS A 59 -4.778 17.441 9.818 1.00 0.00 N ATOM 887 CA HIS A 59 -3.472 17.419 10.454 1.00 0.00 C ATOM 888 C HIS A 59 -2.782 18.771 10.257 1.00 0.00 C ATOM 889 O HIS A 59 -3.248 19.602 9.479 1.00 0.00 O ATOM 890 CB HIS A 59 -2.636 16.246 9.939 1.00 0.00 C ATOM 891 CG HIS A 59 -2.206 15.279 11.016 1.00 0.00 C ATOM 892 ND1 HIS A 59 -1.616 14.059 10.736 1.00 0.00 N ATOM 893 CD2 HIS A 59 -2.285 15.365 12.375 1.00 0.00 C ATOM 894 CE1 HIS A 59 -1.357 13.446 11.882 1.00 0.00 C ATOM 895 NE2 HIS A 59 -1.773 14.257 12.896 1.00 0.00 N ATOM 0 H HIS A 59 -5.043 18.341 9.418 1.00 0.00 H new ATOM 0 HA HIS A 59 -3.589 17.263 11.526 1.00 0.00 H new ATOM 0 HB2 HIS A 59 -3.212 15.705 9.188 1.00 0.00 H new ATOM 0 HB3 HIS A 59 -1.749 16.637 9.440 1.00 0.00 H new ATOM 0 HD2 HIS A 59 -2.695 16.194 12.933 1.00 0.00 H new ATOM 0 HE1 HIS A 59 -0.897 12.475 11.993 1.00 0.00 H new ATOM 0 HE2 HIS A 59 -1.702 14.047 13.892 1.00 0.00 H new ATOM 903 N LEU A 60 -1.683 18.948 10.975 1.00 0.00 N ATOM 904 CA LEU A 60 -0.924 20.184 10.889 1.00 0.00 C ATOM 905 C LEU A 60 -0.663 20.516 9.418 1.00 0.00 C ATOM 906 O LEU A 60 -1.027 19.746 8.531 1.00 0.00 O ATOM 907 CB LEU A 60 0.348 20.092 11.734 1.00 0.00 C ATOM 908 CG LEU A 60 0.143 19.999 13.247 1.00 0.00 C ATOM 909 CD1 LEU A 60 1.042 18.922 13.856 1.00 0.00 C ATOM 910 CD2 LEU A 60 0.349 21.361 13.913 1.00 0.00 C ATOM 0 H LEU A 60 -1.300 18.256 11.619 1.00 0.00 H new ATOM 0 HA LEU A 60 -1.497 21.012 11.306 1.00 0.00 H new ATOM 0 HB2 LEU A 60 0.913 19.218 11.410 1.00 0.00 H new ATOM 0 HB3 LEU A 60 0.964 20.966 11.524 1.00 0.00 H new ATOM 0 HG LEU A 60 -0.889 19.702 13.434 1.00 0.00 H new ATOM 0 HD11 LEU A 60 0.877 18.876 14.932 1.00 0.00 H new ATOM 0 HD12 LEU A 60 0.805 17.956 13.411 1.00 0.00 H new ATOM 0 HD13 LEU A 60 2.086 19.165 13.659 1.00 0.00 H new ATOM 0 HD21 LEU A 60 0.197 21.267 14.988 1.00 0.00 H new ATOM 0 HD22 LEU A 60 1.363 21.711 13.719 1.00 0.00 H new ATOM 0 HD23 LEU A 60 -0.366 22.076 13.507 1.00 0.00 H new ATOM 922 N ILE A 61 -0.036 21.664 9.206 1.00 0.00 N ATOM 923 CA ILE A 61 0.277 22.107 7.858 1.00 0.00 C ATOM 924 C ILE A 61 0.749 20.910 7.029 1.00 0.00 C ATOM 925 O ILE A 61 0.022 20.424 6.165 1.00 0.00 O ATOM 926 CB ILE A 61 1.278 23.263 7.893 1.00 0.00 C ATOM 927 CG1 ILE A 61 0.678 24.487 8.589 1.00 0.00 C ATOM 928 CG2 ILE A 61 1.784 23.594 6.488 1.00 0.00 C ATOM 929 CD1 ILE A 61 1.224 24.631 10.011 1.00 0.00 C ATOM 0 H ILE A 61 0.264 22.300 9.945 1.00 0.00 H new ATOM 0 HA ILE A 61 -0.614 22.502 7.370 1.00 0.00 H new ATOM 0 HB ILE A 61 2.141 22.949 8.480 1.00 0.00 H new ATOM 0 HG12 ILE A 61 0.907 25.385 8.015 1.00 0.00 H new ATOM 0 HG13 ILE A 61 -0.408 24.397 8.620 1.00 0.00 H new ATOM 0 HG21 ILE A 61 2.494 24.419 6.542 1.00 0.00 H new ATOM 0 HG22 ILE A 61 2.276 22.719 6.063 1.00 0.00 H new ATOM 0 HG23 ILE A 61 0.943 23.880 5.856 1.00 0.00 H new ATOM 0 HD11 ILE A 61 0.782 25.508 10.483 1.00 0.00 H new ATOM 0 HD12 ILE A 61 0.972 23.742 10.589 1.00 0.00 H new ATOM 0 HD13 ILE A 61 2.307 24.746 9.975 1.00 0.00 H new ATOM 941 N HIS A 62 1.964 20.470 7.323 1.00 0.00 N ATOM 942 CA HIS A 62 2.542 19.340 6.615 1.00 0.00 C ATOM 943 C HIS A 62 2.430 19.567 5.107 1.00 0.00 C ATOM 944 O HIS A 62 1.927 20.600 4.666 1.00 0.00 O ATOM 945 CB HIS A 62 1.896 18.029 7.067 1.00 0.00 C ATOM 946 CG HIS A 62 2.090 17.721 8.533 1.00 0.00 C ATOM 947 ND1 HIS A 62 1.402 16.712 9.185 1.00 0.00 N ATOM 948 CD2 HIS A 62 2.901 18.299 9.465 1.00 0.00 C ATOM 949 CE1 HIS A 62 1.790 16.693 10.452 1.00 0.00 C ATOM 950 NE2 HIS A 62 2.718 17.678 10.623 1.00 0.00 N ATOM 0 H HIS A 62 2.564 20.875 8.042 1.00 0.00 H new ATOM 0 HA HIS A 62 3.602 19.258 6.857 1.00 0.00 H new ATOM 0 HB2 HIS A 62 0.828 18.070 6.853 1.00 0.00 H new ATOM 0 HB3 HIS A 62 2.308 17.211 6.477 1.00 0.00 H new ATOM 0 HD2 HIS A 62 3.577 19.123 9.290 1.00 0.00 H new ATOM 0 HE1 HIS A 62 1.434 16.017 11.215 1.00 0.00 H new ATOM 0 HE2 HIS A 62 3.193 17.901 11.498 1.00 0.00 H new ATOM 958 N MET A 63 2.907 18.585 4.356 1.00 0.00 N ATOM 959 CA MET A 63 2.867 18.665 2.905 1.00 0.00 C ATOM 960 C MET A 63 2.452 17.325 2.294 1.00 0.00 C ATOM 961 O MET A 63 1.418 17.233 1.634 1.00 0.00 O ATOM 962 CB MET A 63 4.247 19.061 2.377 1.00 0.00 C ATOM 963 CG MET A 63 4.386 20.583 2.296 1.00 0.00 C ATOM 964 SD MET A 63 5.548 21.021 1.013 1.00 0.00 S ATOM 965 CE MET A 63 6.593 22.153 1.916 1.00 0.00 C ATOM 0 H MET A 63 3.323 17.730 4.725 1.00 0.00 H new ATOM 0 HA MET A 63 2.130 19.417 2.621 1.00 0.00 H new ATOM 0 HB2 MET A 63 5.020 18.656 3.030 1.00 0.00 H new ATOM 0 HB3 MET A 63 4.402 18.625 1.390 1.00 0.00 H new ATOM 0 HG2 MET A 63 3.416 21.035 2.089 1.00 0.00 H new ATOM 0 HG3 MET A 63 4.724 20.977 3.254 1.00 0.00 H new ATOM 0 HE1 MET A 63 7.379 22.525 1.259 1.00 0.00 H new ATOM 0 HE2 MET A 63 5.996 22.990 2.277 1.00 0.00 H new ATOM 0 HE3 MET A 63 7.043 21.636 2.763 1.00 0.00 H new ATOM 975 N ARG A 64 3.280 16.319 2.535 1.00 0.00 N ATOM 976 CA ARG A 64 3.012 14.988 2.016 1.00 0.00 C ATOM 977 C ARG A 64 4.170 14.046 2.348 1.00 0.00 C ATOM 978 O ARG A 64 3.953 12.932 2.823 1.00 0.00 O ATOM 979 CB ARG A 64 2.806 15.019 0.500 1.00 0.00 C ATOM 980 CG ARG A 64 3.951 15.760 -0.193 1.00 0.00 C ATOM 981 CD ARG A 64 3.468 16.436 -1.478 1.00 0.00 C ATOM 982 NE ARG A 64 3.937 15.675 -2.657 1.00 0.00 N ATOM 983 CZ ARG A 64 5.175 15.784 -3.185 1.00 0.00 C ATOM 984 NH1 ARG A 64 6.081 16.624 -2.641 1.00 0.00 N ATOM 985 NH2 ARG A 64 5.487 15.055 -4.241 1.00 0.00 N ATOM 0 H ARG A 64 4.137 16.399 3.083 1.00 0.00 H new ATOM 0 HA ARG A 64 2.098 14.626 2.488 1.00 0.00 H new ATOM 0 HB2 ARG A 64 2.743 14.000 0.117 1.00 0.00 H new ATOM 0 HB3 ARG A 64 1.859 15.506 0.268 1.00 0.00 H new ATOM 0 HG2 ARG A 64 4.366 16.508 0.482 1.00 0.00 H new ATOM 0 HG3 ARG A 64 4.754 15.060 -0.425 1.00 0.00 H new ATOM 0 HD2 ARG A 64 2.380 16.494 -1.481 1.00 0.00 H new ATOM 0 HD3 ARG A 64 3.841 17.459 -1.523 1.00 0.00 H new ATOM 0 HE ARG A 64 3.284 15.027 -3.099 1.00 0.00 H new ATOM 0 HH11 ARG A 64 5.833 17.183 -1.825 1.00 0.00 H new ATOM 0 HH12 ARG A 64 7.014 16.700 -3.046 1.00 0.00 H new ATOM 0 HH21 ARG A 64 4.797 14.422 -4.645 1.00 0.00 H new ATOM 0 HH22 ARG A 64 6.418 15.125 -4.652 1.00 0.00 H new ATOM 999 N VAL A 65 5.376 14.527 2.084 1.00 0.00 N ATOM 1000 CA VAL A 65 6.570 13.741 2.349 1.00 0.00 C ATOM 1001 C VAL A 65 6.522 13.217 3.786 1.00 0.00 C ATOM 1002 O VAL A 65 6.520 12.008 4.010 1.00 0.00 O ATOM 1003 CB VAL A 65 7.820 14.574 2.058 1.00 0.00 C ATOM 1004 CG1 VAL A 65 9.081 13.857 2.543 1.00 0.00 C ATOM 1005 CG2 VAL A 65 7.919 14.911 0.568 1.00 0.00 C ATOM 0 H VAL A 65 5.552 15.451 1.689 1.00 0.00 H new ATOM 0 HA VAL A 65 6.612 12.875 1.688 1.00 0.00 H new ATOM 0 HB VAL A 65 7.735 15.511 2.609 1.00 0.00 H new ATOM 0 HG11 VAL A 65 9.955 14.470 2.324 1.00 0.00 H new ATOM 0 HG12 VAL A 65 9.014 13.691 3.618 1.00 0.00 H new ATOM 0 HG13 VAL A 65 9.173 12.898 2.033 1.00 0.00 H new ATOM 0 HG21 VAL A 65 8.816 15.503 0.388 1.00 0.00 H new ATOM 0 HG22 VAL A 65 7.971 13.989 -0.011 1.00 0.00 H new ATOM 0 HG23 VAL A 65 7.041 15.481 0.265 1.00 0.00 H new ATOM 1015 N ALA A 66 6.484 14.154 4.722 1.00 0.00 N ATOM 1016 CA ALA A 66 6.437 13.802 6.131 1.00 0.00 C ATOM 1017 C ALA A 66 5.333 12.767 6.357 1.00 0.00 C ATOM 1018 O ALA A 66 5.602 11.658 6.818 1.00 0.00 O ATOM 1019 CB ALA A 66 6.229 15.067 6.967 1.00 0.00 C ATOM 0 H ALA A 66 6.485 15.156 4.532 1.00 0.00 H new ATOM 0 HA ALA A 66 7.379 13.354 6.446 1.00 0.00 H new ATOM 0 HB1 ALA A 66 6.194 14.803 8.024 1.00 0.00 H new ATOM 0 HB2 ALA A 66 7.054 15.758 6.793 1.00 0.00 H new ATOM 0 HB3 ALA A 66 5.291 15.542 6.680 1.00 0.00 H new ATOM 1025 N ALA A 67 4.115 13.165 6.022 1.00 0.00 N ATOM 1026 CA ALA A 67 2.969 12.285 6.182 1.00 0.00 C ATOM 1027 C ALA A 67 3.284 10.926 5.555 1.00 0.00 C ATOM 1028 O ALA A 67 2.785 9.898 6.009 1.00 0.00 O ATOM 1029 CB ALA A 67 1.732 12.940 5.564 1.00 0.00 C ATOM 0 H ALA A 67 3.896 14.085 5.640 1.00 0.00 H new ATOM 0 HA ALA A 67 2.757 12.119 7.238 1.00 0.00 H new ATOM 0 HB1 ALA A 67 0.873 12.280 5.684 1.00 0.00 H new ATOM 0 HB2 ALA A 67 1.534 13.888 6.064 1.00 0.00 H new ATOM 0 HB3 ALA A 67 1.907 13.119 4.503 1.00 0.00 H new ATOM 1035 N GLN A 68 4.111 10.964 4.520 1.00 0.00 N ATOM 1036 CA GLN A 68 4.498 9.748 3.826 1.00 0.00 C ATOM 1037 C GLN A 68 5.414 8.900 4.711 1.00 0.00 C ATOM 1038 O GLN A 68 5.263 7.681 4.778 1.00 0.00 O ATOM 1039 CB GLN A 68 5.172 10.070 2.490 1.00 0.00 C ATOM 1040 CG GLN A 68 4.351 9.529 1.318 1.00 0.00 C ATOM 1041 CD GLN A 68 5.199 9.446 0.047 1.00 0.00 C ATOM 1042 OE1 GLN A 68 6.285 8.889 0.029 1.00 0.00 O ATOM 1043 NE2 GLN A 68 4.645 10.029 -1.012 1.00 0.00 N ATOM 0 H GLN A 68 4.524 11.818 4.146 1.00 0.00 H new ATOM 0 HA GLN A 68 3.597 9.173 3.612 1.00 0.00 H new ATOM 0 HB2 GLN A 68 5.290 11.149 2.389 1.00 0.00 H new ATOM 0 HB3 GLN A 68 6.172 9.637 2.469 1.00 0.00 H new ATOM 0 HG2 GLN A 68 3.964 8.541 1.566 1.00 0.00 H new ATOM 0 HG3 GLN A 68 3.490 10.174 1.144 1.00 0.00 H new ATOM 0 HE21 GLN A 68 3.733 10.478 -0.928 1.00 0.00 H new ATOM 0 HE22 GLN A 68 5.132 10.028 -1.908 1.00 0.00 H new ATOM 1052 N GLY A 69 6.342 9.579 5.369 1.00 0.00 N ATOM 1053 CA GLY A 69 7.282 8.903 6.247 1.00 0.00 C ATOM 1054 C GLY A 69 6.554 8.221 7.408 1.00 0.00 C ATOM 1055 O GLY A 69 6.923 7.120 7.815 1.00 0.00 O ATOM 0 H GLY A 69 6.463 10.590 5.312 1.00 0.00 H new ATOM 0 HA2 GLY A 69 7.846 8.162 5.681 1.00 0.00 H new ATOM 0 HA3 GLY A 69 8.003 9.622 6.637 1.00 0.00 H new ATOM 1059 N PHE A 70 5.534 8.903 7.907 1.00 0.00 N ATOM 1060 CA PHE A 70 4.751 8.376 9.012 1.00 0.00 C ATOM 1061 C PHE A 70 3.943 7.152 8.578 1.00 0.00 C ATOM 1062 O PHE A 70 4.072 6.078 9.164 1.00 0.00 O ATOM 1063 CB PHE A 70 3.787 9.482 9.444 1.00 0.00 C ATOM 1064 CG PHE A 70 2.832 9.071 10.567 1.00 0.00 C ATOM 1065 CD1 PHE A 70 1.732 8.323 10.285 1.00 0.00 C ATOM 1066 CD2 PHE A 70 3.084 9.455 11.848 1.00 0.00 C ATOM 1067 CE1 PHE A 70 0.846 7.943 11.327 1.00 0.00 C ATOM 1068 CE2 PHE A 70 2.198 9.074 12.890 1.00 0.00 C ATOM 1069 CZ PHE A 70 1.097 8.326 12.608 1.00 0.00 C ATOM 0 H PHE A 70 5.231 9.816 7.567 1.00 0.00 H new ATOM 0 HA PHE A 70 5.412 8.072 9.824 1.00 0.00 H new ATOM 0 HB2 PHE A 70 4.365 10.347 9.771 1.00 0.00 H new ATOM 0 HB3 PHE A 70 3.202 9.798 8.580 1.00 0.00 H new ATOM 0 HD1 PHE A 70 1.532 8.018 9.268 1.00 0.00 H new ATOM 0 HD2 PHE A 70 3.958 10.049 12.072 1.00 0.00 H new ATOM 0 HE1 PHE A 70 -0.028 7.349 11.103 1.00 0.00 H new ATOM 0 HE2 PHE A 70 2.398 9.378 13.907 1.00 0.00 H new ATOM 0 HZ PHE A 70 0.423 8.037 13.401 1.00 0.00 H new ATOM 1079 N VAL A 71 3.127 7.354 7.553 1.00 0.00 N ATOM 1080 CA VAL A 71 2.298 6.280 7.033 1.00 0.00 C ATOM 1081 C VAL A 71 3.190 5.108 6.619 1.00 0.00 C ATOM 1082 O VAL A 71 2.820 3.949 6.797 1.00 0.00 O ATOM 1083 CB VAL A 71 1.425 6.801 5.890 1.00 0.00 C ATOM 1084 CG1 VAL A 71 0.497 7.918 6.373 1.00 0.00 C ATOM 1085 CG2 VAL A 71 2.283 7.271 4.714 1.00 0.00 C ATOM 0 H VAL A 71 3.023 8.246 7.069 1.00 0.00 H new ATOM 0 HA VAL A 71 1.618 5.914 7.803 1.00 0.00 H new ATOM 0 HB VAL A 71 0.803 5.976 5.542 1.00 0.00 H new ATOM 0 HG11 VAL A 71 -0.112 8.270 5.541 1.00 0.00 H new ATOM 0 HG12 VAL A 71 -0.152 7.537 7.162 1.00 0.00 H new ATOM 0 HG13 VAL A 71 1.093 8.744 6.761 1.00 0.00 H new ATOM 0 HG21 VAL A 71 1.637 7.636 3.916 1.00 0.00 H new ATOM 0 HG22 VAL A 71 2.943 8.074 5.043 1.00 0.00 H new ATOM 0 HG23 VAL A 71 2.881 6.438 4.344 1.00 0.00 H new ATOM 1095 N VAL A 72 4.348 5.451 6.073 1.00 0.00 N ATOM 1096 CA VAL A 72 5.295 4.442 5.632 1.00 0.00 C ATOM 1097 C VAL A 72 5.696 3.570 6.823 1.00 0.00 C ATOM 1098 O VAL A 72 5.380 2.382 6.861 1.00 0.00 O ATOM 1099 CB VAL A 72 6.491 5.110 4.950 1.00 0.00 C ATOM 1100 CG1 VAL A 72 7.763 4.281 5.139 1.00 0.00 C ATOM 1101 CG2 VAL A 72 6.211 5.353 3.466 1.00 0.00 C ATOM 0 H VAL A 72 4.651 6.414 5.926 1.00 0.00 H new ATOM 0 HA VAL A 72 4.838 3.788 4.890 1.00 0.00 H new ATOM 0 HB VAL A 72 6.649 6.079 5.424 1.00 0.00 H new ATOM 0 HG11 VAL A 72 8.598 4.778 4.645 1.00 0.00 H new ATOM 0 HG12 VAL A 72 7.978 4.182 6.203 1.00 0.00 H new ATOM 0 HG13 VAL A 72 7.621 3.292 4.704 1.00 0.00 H new ATOM 0 HG21 VAL A 72 7.077 5.829 3.005 1.00 0.00 H new ATOM 0 HG22 VAL A 72 6.014 4.401 2.972 1.00 0.00 H new ATOM 0 HG23 VAL A 72 5.342 6.002 3.361 1.00 0.00 H new ATOM 1111 N GLY A 73 6.387 4.193 7.766 1.00 0.00 N ATOM 1112 CA GLY A 73 6.835 3.488 8.955 1.00 0.00 C ATOM 1113 C GLY A 73 5.732 2.578 9.501 1.00 0.00 C ATOM 1114 O GLY A 73 5.925 1.370 9.625 1.00 0.00 O ATOM 0 H GLY A 73 6.648 5.178 7.731 1.00 0.00 H new ATOM 0 HA2 GLY A 73 7.718 2.894 8.719 1.00 0.00 H new ATOM 0 HA3 GLY A 73 7.130 4.207 9.719 1.00 0.00 H new ATOM 1118 N ALA A 74 4.601 3.194 9.813 1.00 0.00 N ATOM 1119 CA ALA A 74 3.468 2.455 10.342 1.00 0.00 C ATOM 1120 C ALA A 74 3.175 1.259 9.434 1.00 0.00 C ATOM 1121 O ALA A 74 3.226 0.112 9.875 1.00 0.00 O ATOM 1122 CB ALA A 74 2.266 3.391 10.479 1.00 0.00 C ATOM 0 H ALA A 74 4.445 4.197 9.709 1.00 0.00 H new ATOM 0 HA ALA A 74 3.694 2.067 11.335 1.00 0.00 H new ATOM 0 HB1 ALA A 74 1.416 2.836 10.876 1.00 0.00 H new ATOM 0 HB2 ALA A 74 2.516 4.207 11.157 1.00 0.00 H new ATOM 0 HB3 ALA A 74 2.009 3.798 9.501 1.00 0.00 H new ATOM 1128 N MET A 75 2.875 1.569 8.181 1.00 0.00 N ATOM 1129 CA MET A 75 2.573 0.534 7.206 1.00 0.00 C ATOM 1130 C MET A 75 3.530 -0.652 7.352 1.00 0.00 C ATOM 1131 O MET A 75 3.094 -1.786 7.539 1.00 0.00 O ATOM 1132 CB MET A 75 2.689 1.113 5.795 1.00 0.00 C ATOM 1133 CG MET A 75 1.324 1.571 5.277 1.00 0.00 C ATOM 1134 SD MET A 75 1.503 3.076 4.334 1.00 0.00 S ATOM 1135 CE MET A 75 0.114 2.914 3.225 1.00 0.00 C ATOM 0 H MET A 75 2.835 2.522 7.819 1.00 0.00 H new ATOM 0 HA MET A 75 1.557 0.181 7.381 1.00 0.00 H new ATOM 0 HB2 MET A 75 3.382 1.955 5.799 1.00 0.00 H new ATOM 0 HB3 MET A 75 3.104 0.362 5.123 1.00 0.00 H new ATOM 0 HG2 MET A 75 0.882 0.793 4.655 1.00 0.00 H new ATOM 0 HG3 MET A 75 0.645 1.735 6.113 1.00 0.00 H new ATOM 0 HE1 MET A 75 0.076 3.777 2.560 1.00 0.00 H new ATOM 0 HE2 MET A 75 0.225 2.005 2.634 1.00 0.00 H new ATOM 0 HE3 MET A 75 -0.809 2.861 3.803 1.00 0.00 H new ATOM 1145 N THR A 76 4.816 -0.348 7.260 1.00 0.00 N ATOM 1146 CA THR A 76 5.838 -1.374 7.379 1.00 0.00 C ATOM 1147 C THR A 76 5.576 -2.247 8.608 1.00 0.00 C ATOM 1148 O THR A 76 5.593 -3.474 8.517 1.00 0.00 O ATOM 1149 CB THR A 76 7.202 -0.682 7.406 1.00 0.00 C ATOM 1150 OG1 THR A 76 7.358 -0.171 6.085 1.00 0.00 O ATOM 1151 CG2 THR A 76 8.358 -1.672 7.561 1.00 0.00 C ATOM 0 H THR A 76 5.174 0.594 7.104 1.00 0.00 H new ATOM 0 HA THR A 76 5.818 -2.053 6.526 1.00 0.00 H new ATOM 0 HB THR A 76 7.228 0.037 8.225 1.00 0.00 H new ATOM 0 HG1 THR A 76 8.217 0.296 6.014 1.00 0.00 H new ATOM 0 HG21 THR A 76 9.303 -1.129 7.574 1.00 0.00 H new ATOM 0 HG22 THR A 76 8.243 -2.223 8.495 1.00 0.00 H new ATOM 0 HG23 THR A 76 8.353 -2.371 6.725 1.00 0.00 H new ATOM 1159 N VAL A 77 5.339 -1.581 9.729 1.00 0.00 N ATOM 1160 CA VAL A 77 5.074 -2.281 10.974 1.00 0.00 C ATOM 1161 C VAL A 77 3.923 -3.267 10.764 1.00 0.00 C ATOM 1162 O VAL A 77 4.034 -4.440 11.118 1.00 0.00 O ATOM 1163 CB VAL A 77 4.802 -1.274 12.093 1.00 0.00 C ATOM 1164 CG1 VAL A 77 4.437 -1.988 13.396 1.00 0.00 C ATOM 1165 CG2 VAL A 77 5.999 -0.342 12.294 1.00 0.00 C ATOM 0 H VAL A 77 5.325 -0.564 9.801 1.00 0.00 H new ATOM 0 HA VAL A 77 5.946 -2.859 11.280 1.00 0.00 H new ATOM 0 HB VAL A 77 3.949 -0.664 11.796 1.00 0.00 H new ATOM 0 HG11 VAL A 77 4.249 -1.249 14.175 1.00 0.00 H new ATOM 0 HG12 VAL A 77 3.541 -2.590 13.242 1.00 0.00 H new ATOM 0 HG13 VAL A 77 5.261 -2.634 13.700 1.00 0.00 H new ATOM 0 HG21 VAL A 77 5.780 0.364 13.095 1.00 0.00 H new ATOM 0 HG22 VAL A 77 6.878 -0.930 12.559 1.00 0.00 H new ATOM 0 HG23 VAL A 77 6.193 0.205 11.371 1.00 0.00 H new ATOM 1175 N GLY A 78 2.844 -2.755 10.190 1.00 0.00 N ATOM 1176 CA GLY A 78 1.674 -3.576 9.929 1.00 0.00 C ATOM 1177 C GLY A 78 2.058 -4.859 9.190 1.00 0.00 C ATOM 1178 O GLY A 78 1.675 -5.954 9.599 1.00 0.00 O ATOM 0 H GLY A 78 2.756 -1.782 9.898 1.00 0.00 H new ATOM 0 HA2 GLY A 78 1.184 -3.827 10.870 1.00 0.00 H new ATOM 0 HA3 GLY A 78 0.955 -3.012 9.336 1.00 0.00 H new ATOM 1182 N MET A 79 2.810 -4.681 8.114 1.00 0.00 N ATOM 1183 CA MET A 79 3.250 -5.811 7.314 1.00 0.00 C ATOM 1184 C MET A 79 3.979 -6.843 8.176 1.00 0.00 C ATOM 1185 O MET A 79 3.660 -8.031 8.133 1.00 0.00 O ATOM 1186 CB MET A 79 4.185 -5.320 6.206 1.00 0.00 C ATOM 1187 CG MET A 79 3.639 -5.688 4.825 1.00 0.00 C ATOM 1188 SD MET A 79 3.069 -4.220 3.983 1.00 0.00 S ATOM 1189 CE MET A 79 1.467 -4.028 4.745 1.00 0.00 C ATOM 0 H MET A 79 3.126 -3.771 7.778 1.00 0.00 H new ATOM 0 HA MET A 79 2.372 -6.286 6.877 1.00 0.00 H new ATOM 0 HB2 MET A 79 4.304 -4.239 6.278 1.00 0.00 H new ATOM 0 HB3 MET A 79 5.174 -5.759 6.339 1.00 0.00 H new ATOM 0 HG2 MET A 79 4.415 -6.177 4.236 1.00 0.00 H new ATOM 0 HG3 MET A 79 2.820 -6.400 4.926 1.00 0.00 H new ATOM 0 HE1 MET A 79 0.970 -3.151 4.331 1.00 0.00 H new ATOM 0 HE2 MET A 79 0.862 -4.914 4.549 1.00 0.00 H new ATOM 0 HE3 MET A 79 1.589 -3.902 5.821 1.00 0.00 H new ATOM 1199 N GLY A 80 4.945 -6.353 8.940 1.00 0.00 N ATOM 1200 CA GLY A 80 5.722 -7.218 9.811 1.00 0.00 C ATOM 1201 C GLY A 80 4.809 -8.037 10.727 1.00 0.00 C ATOM 1202 O GLY A 80 5.066 -9.214 10.974 1.00 0.00 O ATOM 0 H GLY A 80 5.207 -5.368 8.974 1.00 0.00 H new ATOM 0 HA2 GLY A 80 6.336 -7.889 9.210 1.00 0.00 H new ATOM 0 HA3 GLY A 80 6.403 -6.617 10.413 1.00 0.00 H new ATOM 1206 N TYR A 81 3.762 -7.381 11.205 1.00 0.00 N ATOM 1207 CA TYR A 81 2.810 -8.033 12.088 1.00 0.00 C ATOM 1208 C TYR A 81 1.989 -9.080 11.332 1.00 0.00 C ATOM 1209 O TYR A 81 1.557 -10.073 11.913 1.00 0.00 O ATOM 1210 CB TYR A 81 1.874 -6.931 12.586 1.00 0.00 C ATOM 1211 CG TYR A 81 0.772 -7.427 13.525 1.00 0.00 C ATOM 1212 CD1 TYR A 81 -0.269 -8.184 13.028 1.00 0.00 C ATOM 1213 CD2 TYR A 81 0.820 -7.118 14.869 1.00 0.00 C ATOM 1214 CE1 TYR A 81 -1.306 -8.651 13.911 1.00 0.00 C ATOM 1215 CE2 TYR A 81 -0.217 -7.585 15.753 1.00 0.00 C ATOM 1216 CZ TYR A 81 -1.228 -8.329 15.230 1.00 0.00 C ATOM 1217 OH TYR A 81 -2.207 -8.770 16.065 1.00 0.00 O ATOM 0 H TYR A 81 3.552 -6.405 10.998 1.00 0.00 H new ATOM 0 HA TYR A 81 3.327 -8.542 12.902 1.00 0.00 H new ATOM 0 HB2 TYR A 81 2.464 -6.174 13.103 1.00 0.00 H new ATOM 0 HB3 TYR A 81 1.413 -6.444 11.727 1.00 0.00 H new ATOM 0 HD1 TYR A 81 -0.306 -8.426 11.976 1.00 0.00 H new ATOM 0 HD2 TYR A 81 1.635 -6.526 15.258 1.00 0.00 H new ATOM 0 HE1 TYR A 81 -2.127 -9.243 13.535 1.00 0.00 H new ATOM 0 HE2 TYR A 81 -0.192 -7.350 16.807 1.00 0.00 H new ATOM 0 HH TYR A 81 -2.020 -8.465 16.978 1.00 0.00 H new ATOM 1227 N SER A 82 1.799 -8.820 10.046 1.00 0.00 N ATOM 1228 CA SER A 82 1.038 -9.728 9.204 1.00 0.00 C ATOM 1229 C SER A 82 1.985 -10.530 8.310 1.00 0.00 C ATOM 1230 O SER A 82 3.201 -10.360 8.377 1.00 0.00 O ATOM 1231 CB SER A 82 0.021 -8.966 8.352 1.00 0.00 C ATOM 1232 OG SER A 82 -1.042 -8.433 9.138 1.00 0.00 O ATOM 0 H SER A 82 2.159 -7.994 9.567 1.00 0.00 H new ATOM 0 HA SER A 82 0.490 -10.415 9.849 1.00 0.00 H new ATOM 0 HB2 SER A 82 0.524 -8.155 7.826 1.00 0.00 H new ATOM 0 HB3 SER A 82 -0.388 -9.633 7.593 1.00 0.00 H new ATOM 0 HG SER A 82 -1.669 -7.953 8.558 1.00 0.00 H new ATOM 1238 N MET A 83 1.391 -11.388 7.493 1.00 0.00 N ATOM 1239 CA MET A 83 2.166 -12.218 6.587 1.00 0.00 C ATOM 1240 C MET A 83 3.093 -13.158 7.360 1.00 0.00 C ATOM 1241 O MET A 83 2.817 -14.351 7.476 1.00 0.00 O ATOM 1242 CB MET A 83 2.999 -11.325 5.664 1.00 0.00 C ATOM 1243 CG MET A 83 2.098 -10.486 4.754 1.00 0.00 C ATOM 1244 SD MET A 83 1.631 -8.976 5.584 1.00 0.00 S ATOM 1245 CE MET A 83 0.058 -8.666 4.800 1.00 0.00 C ATOM 0 H MET A 83 0.382 -11.526 7.440 1.00 0.00 H new ATOM 0 HA MET A 83 1.476 -12.823 5.998 1.00 0.00 H new ATOM 0 HB2 MET A 83 3.632 -10.668 6.261 1.00 0.00 H new ATOM 0 HB3 MET A 83 3.662 -11.941 5.057 1.00 0.00 H new ATOM 0 HG2 MET A 83 2.620 -10.254 3.825 1.00 0.00 H new ATOM 0 HG3 MET A 83 1.207 -11.054 4.486 1.00 0.00 H new ATOM 0 HE1 MET A 83 -0.376 -7.752 5.205 1.00 0.00 H new ATOM 0 HE2 MET A 83 0.203 -8.554 3.725 1.00 0.00 H new ATOM 0 HE3 MET A 83 -0.615 -9.502 4.990 1.00 0.00 H new ATOM 1255 N TYR A 84 4.173 -12.584 7.870 1.00 0.00 N ATOM 1256 CA TYR A 84 5.142 -13.356 8.629 1.00 0.00 C ATOM 1257 C TYR A 84 4.692 -13.525 10.082 1.00 0.00 C ATOM 1258 O TYR A 84 4.120 -12.608 10.669 1.00 0.00 O ATOM 1259 CB TYR A 84 6.441 -12.547 8.601 1.00 0.00 C ATOM 1260 CG TYR A 84 7.678 -13.369 8.238 1.00 0.00 C ATOM 1261 CD1 TYR A 84 8.333 -14.098 9.211 1.00 0.00 C ATOM 1262 CD2 TYR A 84 8.140 -13.383 6.938 1.00 0.00 C ATOM 1263 CE1 TYR A 84 9.498 -14.872 8.868 1.00 0.00 C ATOM 1264 CE2 TYR A 84 9.305 -14.157 6.595 1.00 0.00 C ATOM 1265 CZ TYR A 84 9.927 -14.863 7.578 1.00 0.00 C ATOM 1266 OH TYR A 84 11.027 -15.594 7.255 1.00 0.00 O ATOM 0 H TYR A 84 4.398 -11.594 7.772 1.00 0.00 H new ATOM 0 HA TYR A 84 5.260 -14.351 8.201 1.00 0.00 H new ATOM 0 HB2 TYR A 84 6.335 -11.733 7.884 1.00 0.00 H new ATOM 0 HB3 TYR A 84 6.594 -12.091 9.579 1.00 0.00 H new ATOM 0 HD1 TYR A 84 7.972 -14.088 10.229 1.00 0.00 H new ATOM 0 HD2 TYR A 84 7.628 -12.813 6.177 1.00 0.00 H new ATOM 0 HE1 TYR A 84 10.019 -15.447 9.619 1.00 0.00 H new ATOM 0 HE2 TYR A 84 9.676 -14.177 5.581 1.00 0.00 H new ATOM 0 HH TYR A 84 11.217 -15.494 6.299 1.00 0.00 H new ATOM 1276 N ARG A 85 4.966 -14.705 10.619 1.00 0.00 N ATOM 1277 CA ARG A 85 4.596 -15.006 11.992 1.00 0.00 C ATOM 1278 C ARG A 85 5.650 -14.460 12.958 1.00 0.00 C ATOM 1279 O ARG A 85 6.683 -15.092 13.177 1.00 0.00 O ATOM 1280 CB ARG A 85 4.451 -16.514 12.205 1.00 0.00 C ATOM 1281 CG ARG A 85 3.051 -16.863 12.714 1.00 0.00 C ATOM 1282 CD ARG A 85 2.261 -17.637 11.656 1.00 0.00 C ATOM 1283 NE ARG A 85 1.385 -16.713 10.902 1.00 0.00 N ATOM 1284 CZ ARG A 85 0.221 -16.220 11.375 1.00 0.00 C ATOM 1285 NH1 ARG A 85 -0.217 -16.558 12.606 1.00 0.00 N ATOM 1286 NH2 ARG A 85 -0.483 -15.401 10.615 1.00 0.00 N ATOM 0 H ARG A 85 5.440 -15.464 10.129 1.00 0.00 H new ATOM 0 HA ARG A 85 3.636 -14.529 12.189 1.00 0.00 H new ATOM 0 HB2 ARG A 85 4.642 -17.037 11.268 1.00 0.00 H new ATOM 0 HB3 ARG A 85 5.198 -16.857 12.920 1.00 0.00 H new ATOM 0 HG2 ARG A 85 3.129 -17.459 13.623 1.00 0.00 H new ATOM 0 HG3 ARG A 85 2.517 -15.950 12.976 1.00 0.00 H new ATOM 0 HD2 ARG A 85 2.947 -18.139 10.974 1.00 0.00 H new ATOM 0 HD3 ARG A 85 1.661 -18.412 12.133 1.00 0.00 H new ATOM 0 HE ARG A 85 1.679 -16.431 9.967 1.00 0.00 H new ATOM 0 HH11 ARG A 85 0.333 -17.191 13.187 1.00 0.00 H new ATOM 0 HH12 ARG A 85 -1.098 -16.181 12.955 1.00 0.00 H new ATOM 0 HH21 ARG A 85 -0.145 -15.150 9.686 1.00 0.00 H new ATOM 0 HH22 ARG A 85 -1.365 -15.019 10.957 1.00 0.00 H new ATOM 1300 N GLU A 86 5.353 -13.292 13.509 1.00 0.00 N ATOM 1301 CA GLU A 86 6.263 -12.655 14.446 1.00 0.00 C ATOM 1302 C GLU A 86 7.656 -12.523 13.828 1.00 0.00 C ATOM 1303 O GLU A 86 8.396 -13.501 13.743 1.00 0.00 O ATOM 1304 CB GLU A 86 6.319 -13.426 15.766 1.00 0.00 C ATOM 1305 CG GLU A 86 5.078 -13.149 16.617 1.00 0.00 C ATOM 1306 CD GLU A 86 4.585 -14.427 17.299 1.00 0.00 C ATOM 1307 OE1 GLU A 86 5.372 -15.361 17.509 1.00 0.00 O ATOM 1308 OE2 GLU A 86 3.334 -14.428 17.615 1.00 0.00 O ATOM 0 H GLU A 86 4.496 -12.771 13.325 1.00 0.00 H new ATOM 0 HA GLU A 86 5.888 -11.655 14.663 1.00 0.00 H new ATOM 0 HB2 GLU A 86 6.395 -14.494 15.564 1.00 0.00 H new ATOM 0 HB3 GLU A 86 7.214 -13.142 16.319 1.00 0.00 H new ATOM 0 HG2 GLU A 86 5.310 -12.396 17.371 1.00 0.00 H new ATOM 0 HG3 GLU A 86 4.287 -12.739 15.990 1.00 0.00 H new ATOM 1315 N PHE A 87 7.971 -11.305 13.412 1.00 0.00 N ATOM 1316 CA PHE A 87 9.262 -11.032 12.804 1.00 0.00 C ATOM 1317 C PHE A 87 10.404 -11.431 13.741 1.00 0.00 C ATOM 1318 O PHE A 87 10.491 -10.937 14.864 1.00 0.00 O ATOM 1319 CB PHE A 87 9.328 -9.525 12.551 1.00 0.00 C ATOM 1320 CG PHE A 87 10.244 -9.128 11.391 1.00 0.00 C ATOM 1321 CD1 PHE A 87 11.571 -9.421 11.442 1.00 0.00 C ATOM 1322 CD2 PHE A 87 9.732 -8.483 10.310 1.00 0.00 C ATOM 1323 CE1 PHE A 87 12.421 -9.053 10.366 1.00 0.00 C ATOM 1324 CE2 PHE A 87 10.582 -8.114 9.234 1.00 0.00 C ATOM 1325 CZ PHE A 87 11.909 -8.408 9.285 1.00 0.00 C ATOM 0 H PHE A 87 7.354 -10.496 13.484 1.00 0.00 H new ATOM 0 HA PHE A 87 9.368 -11.604 11.882 1.00 0.00 H new ATOM 0 HB2 PHE A 87 8.322 -9.157 12.349 1.00 0.00 H new ATOM 0 HB3 PHE A 87 9.673 -9.029 13.459 1.00 0.00 H new ATOM 0 HD1 PHE A 87 11.978 -9.934 12.301 1.00 0.00 H new ATOM 0 HD2 PHE A 87 8.678 -8.251 10.269 1.00 0.00 H new ATOM 0 HE1 PHE A 87 13.475 -9.286 10.407 1.00 0.00 H new ATOM 0 HE2 PHE A 87 10.175 -7.600 8.376 1.00 0.00 H new ATOM 0 HZ PHE A 87 12.556 -8.129 8.466 1.00 0.00 H new ATOM 1335 N TRP A 88 11.252 -12.319 13.244 1.00 0.00 N ATOM 1336 CA TRP A 88 12.385 -12.789 14.023 1.00 0.00 C ATOM 1337 C TRP A 88 13.664 -12.331 13.319 1.00 0.00 C ATOM 1338 O TRP A 88 14.433 -11.545 13.871 1.00 0.00 O ATOM 1339 CB TRP A 88 12.322 -14.305 14.222 1.00 0.00 C ATOM 1340 CG TRP A 88 12.844 -14.776 15.581 1.00 0.00 C ATOM 1341 CD1 TRP A 88 12.412 -14.422 16.799 1.00 0.00 C ATOM 1342 CD2 TRP A 88 13.922 -15.708 15.812 1.00 0.00 C ATOM 1343 NE1 TRP A 88 13.129 -15.055 17.794 1.00 0.00 N ATOM 1344 CE2 TRP A 88 14.076 -15.862 17.174 1.00 0.00 C ATOM 1345 CE3 TRP A 88 14.739 -16.399 14.899 1.00 0.00 C ATOM 1346 CZ2 TRP A 88 15.039 -16.702 17.747 1.00 0.00 C ATOM 1347 CZ3 TRP A 88 15.696 -17.234 15.488 1.00 0.00 C ATOM 1348 CH2 TRP A 88 15.864 -17.400 16.857 1.00 0.00 C ATOM 0 H TRP A 88 11.177 -12.726 12.311 1.00 0.00 H new ATOM 0 HA TRP A 88 12.368 -12.363 15.026 1.00 0.00 H new ATOM 0 HB2 TRP A 88 11.289 -14.634 14.107 1.00 0.00 H new ATOM 0 HB3 TRP A 88 12.900 -14.789 13.435 1.00 0.00 H new ATOM 0 HD1 TRP A 88 11.604 -13.728 16.979 1.00 0.00 H new ATOM 0 HE1 TRP A 88 12.990 -14.950 18.799 1.00 0.00 H new ATOM 0 HE3 TRP A 88 14.636 -16.294 13.829 1.00 0.00 H new ATOM 0 HZ2 TRP A 88 15.140 -16.806 18.817 1.00 0.00 H new ATOM 0 HZ3 TRP A 88 16.350 -17.788 14.831 1.00 0.00 H new ATOM 0 HH2 TRP A 88 16.628 -18.065 17.233 1.00 0.00 H new ATOM 1359 N ALA A 89 13.854 -12.843 12.112 1.00 0.00 N ATOM 1360 CA ALA A 89 15.027 -12.496 11.328 1.00 0.00 C ATOM 1361 C ALA A 89 14.664 -12.512 9.842 1.00 0.00 C ATOM 1362 O ALA A 89 13.781 -13.258 9.422 1.00 0.00 O ATOM 1363 CB ALA A 89 16.167 -13.461 11.660 1.00 0.00 C ATOM 0 H ALA A 89 13.215 -13.496 11.658 1.00 0.00 H new ATOM 0 HA ALA A 89 15.369 -11.491 11.573 1.00 0.00 H new ATOM 0 HB1 ALA A 89 17.047 -13.201 11.072 1.00 0.00 H new ATOM 0 HB2 ALA A 89 16.406 -13.391 12.721 1.00 0.00 H new ATOM 0 HB3 ALA A 89 15.861 -14.480 11.424 1.00 0.00 H new ATOM 1369 N LYS A 90 15.365 -11.680 9.086 1.00 0.00 N ATOM 1370 CA LYS A 90 15.128 -11.588 7.655 1.00 0.00 C ATOM 1371 C LYS A 90 16.211 -12.373 6.912 1.00 0.00 C ATOM 1372 O LYS A 90 17.318 -12.545 7.421 1.00 0.00 O ATOM 1373 CB LYS A 90 15.023 -10.125 7.222 1.00 0.00 C ATOM 1374 CG LYS A 90 16.325 -9.374 7.505 1.00 0.00 C ATOM 1375 CD LYS A 90 16.165 -8.430 8.698 1.00 0.00 C ATOM 1376 CE LYS A 90 17.302 -8.620 9.705 1.00 0.00 C ATOM 1377 NZ LYS A 90 17.984 -7.332 9.966 1.00 0.00 N ATOM 0 H LYS A 90 16.097 -11.063 9.437 1.00 0.00 H new ATOM 0 HA LYS A 90 14.171 -12.042 7.397 1.00 0.00 H new ATOM 0 HB2 LYS A 90 14.793 -10.073 6.158 1.00 0.00 H new ATOM 0 HB3 LYS A 90 14.200 -9.644 7.750 1.00 0.00 H new ATOM 0 HG2 LYS A 90 17.124 -10.087 7.706 1.00 0.00 H new ATOM 0 HG3 LYS A 90 16.620 -8.805 6.623 1.00 0.00 H new ATOM 0 HD2 LYS A 90 16.152 -7.397 8.350 1.00 0.00 H new ATOM 0 HD3 LYS A 90 15.208 -8.614 9.186 1.00 0.00 H new ATOM 0 HE2 LYS A 90 16.907 -9.024 10.637 1.00 0.00 H new ATOM 0 HE3 LYS A 90 18.018 -9.346 9.321 1.00 0.00 H new ATOM 0 HZ1 LYS A 90 19.002 -7.499 10.099 1.00 0.00 H new ATOM 0 HZ2 LYS A 90 17.841 -6.693 9.158 1.00 0.00 H new ATOM 0 HZ3 LYS A 90 17.589 -6.898 10.825 1.00 0.00 H new ATOM 1391 N PRO A 91 15.845 -12.840 5.688 1.00 0.00 N ATOM 1392 CA PRO A 91 16.772 -13.603 4.870 1.00 0.00 C ATOM 1393 C PRO A 91 17.829 -12.691 4.244 1.00 0.00 C ATOM 1394 O PRO A 91 17.604 -12.111 3.182 1.00 0.00 O ATOM 1395 CB PRO A 91 15.903 -14.301 3.837 1.00 0.00 C ATOM 1396 CG PRO A 91 14.585 -13.545 3.821 1.00 0.00 C ATOM 1397 CD PRO A 91 14.543 -12.656 5.054 1.00 0.00 C ATOM 0 HA PRO A 91 17.342 -14.330 5.448 1.00 0.00 H new ATOM 0 HB2 PRO A 91 16.375 -14.284 2.854 1.00 0.00 H new ATOM 0 HB3 PRO A 91 15.750 -15.348 4.099 1.00 0.00 H new ATOM 0 HG2 PRO A 91 14.500 -12.945 2.915 1.00 0.00 H new ATOM 0 HG3 PRO A 91 13.746 -14.241 3.823 1.00 0.00 H new ATOM 0 HD2 PRO A 91 14.378 -11.613 4.785 1.00 0.00 H new ATOM 0 HD3 PRO A 91 13.732 -12.945 5.723 1.00 0.00 H new ATOM 1405 N LYS A 92 18.959 -12.591 4.928 1.00 0.00 N ATOM 1406 CA LYS A 92 20.051 -11.759 4.452 1.00 0.00 C ATOM 1407 C LYS A 92 19.577 -10.307 4.359 1.00 0.00 C ATOM 1408 O LYS A 92 19.011 -9.899 3.346 1.00 0.00 O ATOM 1409 CB LYS A 92 20.610 -12.308 3.138 1.00 0.00 C ATOM 1410 CG LYS A 92 22.105 -12.611 3.262 1.00 0.00 C ATOM 1411 CD LYS A 92 22.612 -13.380 2.041 1.00 0.00 C ATOM 1412 CE LYS A 92 24.082 -13.058 1.761 1.00 0.00 C ATOM 1413 NZ LYS A 92 24.964 -14.037 2.435 1.00 0.00 N ATOM 0 H LYS A 92 19.142 -13.072 5.808 1.00 0.00 H new ATOM 0 HA LYS A 92 20.881 -11.780 5.158 1.00 0.00 H new ATOM 0 HB2 LYS A 92 20.073 -13.215 2.861 1.00 0.00 H new ATOM 0 HB3 LYS A 92 20.447 -11.585 2.339 1.00 0.00 H new ATOM 0 HG2 LYS A 92 22.661 -11.679 3.366 1.00 0.00 H new ATOM 0 HG3 LYS A 92 22.288 -13.194 4.165 1.00 0.00 H new ATOM 0 HD2 LYS A 92 22.496 -14.451 2.207 1.00 0.00 H new ATOM 0 HD3 LYS A 92 22.008 -13.126 1.170 1.00 0.00 H new ATOM 0 HE2 LYS A 92 24.266 -13.073 0.687 1.00 0.00 H new ATOM 0 HE3 LYS A 92 24.313 -12.051 2.109 1.00 0.00 H new ATOM 0 HZ1 LYS A 92 25.958 -13.804 2.235 1.00 0.00 H new ATOM 0 HZ2 LYS A 92 24.800 -14.003 3.461 1.00 0.00 H new ATOM 0 HZ3 LYS A 92 24.755 -14.993 2.083 1.00 0.00 H new ATOM 1427 N PRO A 93 19.833 -9.548 5.458 1.00 0.00 N ATOM 1428 CA PRO A 93 19.439 -8.150 5.510 1.00 0.00 C ATOM 1429 C PRO A 93 20.368 -7.286 4.655 1.00 0.00 C ATOM 1430 O PRO A 93 21.439 -6.885 5.107 1.00 0.00 O ATOM 1431 CB PRO A 93 19.479 -7.785 6.985 1.00 0.00 C ATOM 1432 CG PRO A 93 20.337 -8.846 7.654 1.00 0.00 C ATOM 1433 CD PRO A 93 20.501 -9.998 6.676 1.00 0.00 C ATOM 0 HA PRO A 93 18.445 -7.977 5.097 1.00 0.00 H new ATOM 0 HB2 PRO A 93 19.903 -6.791 7.130 1.00 0.00 H new ATOM 0 HB3 PRO A 93 18.476 -7.769 7.411 1.00 0.00 H new ATOM 0 HG2 PRO A 93 21.309 -8.435 7.926 1.00 0.00 H new ATOM 0 HG3 PRO A 93 19.868 -9.191 8.575 1.00 0.00 H new ATOM 0 HD2 PRO A 93 21.553 -10.216 6.493 1.00 0.00 H new ATOM 0 HD3 PRO A 93 20.049 -10.912 7.061 1.00 0.00 H new TER 1441 PRO A 93