USER MOD reduce.3.24.130724 H: found=0, std=0, add=1126, rem=0, adj=28 USER MOD reduce.3.24.130724 removed 1124 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+ -143:sc= 0.0489 (180deg=-0.375) USER MOD Single : A 3 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 4 ASN : amide:sc= -5.28! C(o=-5.3!,f=-6.6!) USER MOD Single : A 9 THR OG1 : rot -43:sc= 0.146 USER MOD Single : A 13 HIS : no HD1:sc= -0.174 X(o=-0.17,f=-0.33) USER MOD Single : A 18 HIS : no HE2:sc= -1.76! X(o=-1.8!,f=-2.2) USER MOD Single : A 22 ASN :FLIP amide:sc= -5.24! C(o=-7.6!,f=-5.2!) USER MOD Single : A 24 LYS NZ :NH3+ -169:sc= -1.37 (180deg=-1.63!) USER MOD Single : A 28 SER OG : rot 140:sc= 1.45 USER MOD Single : A 29 GLN : amide:sc= 0 K(o=0,f=-0.57) USER MOD Single : A 32 GLN :FLIP amide:sc= -0.0875 F(o=-2!,f=-0.088) USER MOD Single : A 34 MET CE :methyl 165:sc= -1.85 (180deg=-2.23) USER MOD Single : A 35 GLN : amide:sc= -0.318 X(o=-0.32,f=0) USER MOD Single : A 37 LYS NZ :NH3+ -178:sc= 0 (180deg=-0.00924) USER MOD Single : A 39 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 47 THR OG1 : rot 147:sc= -1.28 USER MOD Single : A 51 TYR OH : rot 180:sc= 0 USER MOD Single : A 53 SER OG : rot 180:sc= -0.423 USER MOD Single : A 54 ASN : amide:sc= -0.14 X(o=-0.14,f=-0.0021) USER MOD Single : A 56 CYS SG : rot 180:sc= -0.448 USER MOD Single : A 57 CYS SG : rot 180:sc= -1.98! USER MOD Single : A 60 TYR OH : rot 158:sc= 0.0317 USER MOD Single : A 62 THR OG1 : rot 180:sc= -0.0411 USER MOD Single : A 70 ASN : amide:sc= -0.16 X(o=-0.16,f=-0.14) USER MOD Single : A 72 TYR OH : rot -50:sc= -2.18 USER MOD Single : A 74 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 81 ASN : amide:sc= -0.208 X(o=-0.21,f=-0.26) USER MOD Single : A 82 SER OG : rot -68:sc= 1.2! USER MOD Single : A 83 ASN : amide:sc= -5.58! C(o=-5.6!,f=-13!) USER MOD Single : A 84 ASN : amide:sc= -4.29! C(o=-4.3!,f=-4.3!) USER MOD Single : A 86 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 93 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 94 THR OG1 : rot -150:sc= -2.69 USER MOD Single : A 96 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 97 SER OG : rot 132:sc= 0.78 USER MOD Single : A 99 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 100 TYR OH : rot 180:sc= 0 USER MOD Single : A 105 GLN : amide:sc= -0.355 X(o=-0.35,f=-0.25) USER MOD Single : A 106 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 108 THR OG1 : rot -170:sc= -1.43 USER MOD Single : A 114 MET CE :methyl -155:sc= -0.528 (180deg=-1.86!) USER MOD Single : A 121 SER OG : rot 101:sc= -1.57! USER MOD Single : A 122 GLN :FLIP amide:sc= -0.0493 F(o=-0.67,f=-0.049) USER MOD Single : A 123 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 126 SER OG : rot 59:sc= -0.917! USER MOD Single : A 127 CYS SG : rot -25:sc= 0.148 USER MOD Single : A 131 GLN : amide:sc= 0 X(o=0,f=-0.032) USER MOD Single : A 134 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 136 GLN : amide:sc= -0.0808 X(o=-0.081,f=-0.099) USER MOD Single : A 137 THR OG1 : rot -18:sc= 0.865 USER MOD Single : A 138 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD ----------------------------------------------------------------- ATOM 1 N MET A 1 -4.792 -24.033 -19.451 1.00 0.00 N ATOM 2 CA MET A 1 -6.067 -24.682 -19.868 1.00 0.00 C ATOM 3 C MET A 1 -7.166 -24.326 -18.873 1.00 0.00 C ATOM 4 O MET A 1 -7.082 -23.316 -18.175 1.00 0.00 O ATOM 5 CB MET A 1 -5.873 -26.200 -19.911 1.00 0.00 C ATOM 6 CG MET A 1 -4.746 -26.545 -20.886 1.00 0.00 C ATOM 7 SD MET A 1 -4.726 -28.332 -21.175 1.00 0.00 S ATOM 8 CE MET A 1 -3.736 -28.305 -22.690 1.00 0.00 C ATOM 0 H1 MET A 1 -4.270 -23.720 -20.294 1.00 0.00 H new ATOM 0 H2 MET A 1 -5.001 -23.211 -18.849 1.00 0.00 H new ATOM 0 H3 MET A 1 -4.214 -24.714 -18.918 1.00 0.00 H new ATOM 0 HA MET A 1 -6.353 -24.329 -20.859 1.00 0.00 H new ATOM 0 HB2 MET A 1 -5.634 -26.575 -18.916 1.00 0.00 H new ATOM 0 HB3 MET A 1 -6.798 -26.686 -20.221 1.00 0.00 H new ATOM 0 HG2 MET A 1 -4.890 -26.015 -21.827 1.00 0.00 H new ATOM 0 HG3 MET A 1 -3.788 -26.220 -20.481 1.00 0.00 H new ATOM 0 HE1 MET A 1 -3.596 -29.324 -23.052 1.00 0.00 H new ATOM 0 HE2 MET A 1 -4.250 -27.717 -23.450 1.00 0.00 H new ATOM 0 HE3 MET A 1 -2.764 -27.858 -22.482 1.00 0.00 H new ATOM 20 N GLU A 2 -8.195 -25.165 -18.813 1.00 0.00 N ATOM 21 CA GLU A 2 -9.306 -24.930 -17.897 1.00 0.00 C ATOM 22 C GLU A 2 -9.751 -26.238 -17.253 1.00 0.00 C ATOM 23 O GLU A 2 -10.121 -26.268 -16.079 1.00 0.00 O ATOM 24 CB GLU A 2 -10.481 -24.305 -18.652 1.00 0.00 C ATOM 25 CG GLU A 2 -10.285 -22.790 -18.738 1.00 0.00 C ATOM 26 CD GLU A 2 -11.400 -22.165 -19.569 1.00 0.00 C ATOM 27 OE1 GLU A 2 -12.473 -21.957 -19.025 1.00 0.00 O ATOM 28 OE2 GLU A 2 -11.167 -21.904 -20.737 1.00 0.00 O ATOM 0 H GLU A 2 -8.283 -26.007 -19.382 1.00 0.00 H new ATOM 0 HA GLU A 2 -8.972 -24.247 -17.116 1.00 0.00 H new ATOM 0 HB2 GLU A 2 -10.551 -24.731 -19.653 1.00 0.00 H new ATOM 0 HB3 GLU A 2 -11.417 -24.533 -18.142 1.00 0.00 H new ATOM 0 HG2 GLU A 2 -10.281 -22.358 -17.737 1.00 0.00 H new ATOM 0 HG3 GLU A 2 -9.317 -22.565 -19.186 1.00 0.00 H new ATOM 35 N LYS A 3 -9.712 -27.316 -18.028 1.00 0.00 N ATOM 36 CA LYS A 3 -10.115 -28.623 -17.523 1.00 0.00 C ATOM 37 C LYS A 3 -8.974 -29.271 -16.745 1.00 0.00 C ATOM 38 O LYS A 3 -8.095 -29.908 -17.327 1.00 0.00 O ATOM 39 CB LYS A 3 -10.522 -29.532 -18.684 1.00 0.00 C ATOM 40 CG LYS A 3 -12.025 -29.394 -18.935 1.00 0.00 C ATOM 41 CD LYS A 3 -12.358 -29.917 -20.333 1.00 0.00 C ATOM 42 CE LYS A 3 -12.354 -31.448 -20.321 1.00 0.00 C ATOM 43 NZ LYS A 3 -13.756 -31.947 -20.250 1.00 0.00 N ATOM 0 H LYS A 3 -9.408 -27.312 -19.002 1.00 0.00 H new ATOM 0 HA LYS A 3 -10.965 -28.486 -16.855 1.00 0.00 H new ATOM 0 HB2 LYS A 3 -9.966 -29.264 -19.582 1.00 0.00 H new ATOM 0 HB3 LYS A 3 -10.274 -30.568 -18.453 1.00 0.00 H new ATOM 0 HG2 LYS A 3 -12.583 -29.953 -18.184 1.00 0.00 H new ATOM 0 HG3 LYS A 3 -12.325 -28.350 -18.844 1.00 0.00 H new ATOM 0 HD2 LYS A 3 -13.334 -29.548 -20.648 1.00 0.00 H new ATOM 0 HD3 LYS A 3 -11.630 -29.547 -21.054 1.00 0.00 H new ATOM 0 HE2 LYS A 3 -11.866 -31.828 -21.219 1.00 0.00 H new ATOM 0 HE3 LYS A 3 -11.783 -31.814 -19.468 1.00 0.00 H new ATOM 0 HZ1 LYS A 3 -13.754 -32.987 -20.242 1.00 0.00 H new ATOM 0 HZ2 LYS A 3 -14.206 -31.595 -19.381 1.00 0.00 H new ATOM 0 HZ3 LYS A 3 -14.287 -31.608 -21.077 1.00 0.00 H new ATOM 57 N ASN A 4 -8.996 -29.106 -15.427 1.00 0.00 N ATOM 58 CA ASN A 4 -7.960 -29.683 -14.578 1.00 0.00 C ATOM 59 C ASN A 4 -8.403 -29.678 -13.117 1.00 0.00 C ATOM 60 O ASN A 4 -9.102 -28.766 -12.675 1.00 0.00 O ATOM 61 CB ASN A 4 -6.661 -28.889 -14.722 1.00 0.00 C ATOM 62 CG ASN A 4 -6.751 -27.948 -15.920 1.00 0.00 C ATOM 63 OD1 ASN A 4 -6.293 -28.286 -17.011 1.00 0.00 O ATOM 64 ND2 ASN A 4 -7.315 -26.779 -15.779 1.00 0.00 N ATOM 0 H ASN A 4 -9.714 -28.582 -14.926 1.00 0.00 H new ATOM 0 HA ASN A 4 -7.791 -30.713 -14.893 1.00 0.00 H new ATOM 0 HB2 ASN A 4 -6.473 -28.317 -13.814 1.00 0.00 H new ATOM 0 HB3 ASN A 4 -5.821 -29.572 -14.848 1.00 0.00 H new ATOM 0 HD21 ASN A 4 -7.377 -26.143 -16.574 1.00 0.00 H new ATOM 0 HD22 ASN A 4 -7.694 -26.501 -14.874 1.00 0.00 H new ATOM 71 N PRO A 5 -8.011 -30.673 -12.368 1.00 0.00 N ATOM 72 CA PRO A 5 -8.374 -30.784 -10.926 1.00 0.00 C ATOM 73 C PRO A 5 -7.688 -29.715 -10.079 1.00 0.00 C ATOM 74 O PRO A 5 -6.594 -29.257 -10.408 1.00 0.00 O ATOM 75 CB PRO A 5 -7.898 -32.184 -10.530 1.00 0.00 C ATOM 76 CG PRO A 5 -6.838 -32.542 -11.521 1.00 0.00 C ATOM 77 CD PRO A 5 -7.178 -31.801 -12.813 1.00 0.00 C ATOM 0 HA PRO A 5 -9.441 -30.635 -10.763 1.00 0.00 H new ATOM 0 HB2 PRO A 5 -7.504 -32.191 -9.514 1.00 0.00 H new ATOM 0 HB3 PRO A 5 -8.719 -32.900 -10.558 1.00 0.00 H new ATOM 0 HG2 PRO A 5 -5.853 -32.252 -11.156 1.00 0.00 H new ATOM 0 HG3 PRO A 5 -6.812 -33.619 -11.688 1.00 0.00 H new ATOM 0 HD2 PRO A 5 -6.279 -31.456 -13.324 1.00 0.00 H new ATOM 0 HD3 PRO A 5 -7.715 -32.443 -13.512 1.00 0.00 H new ATOM 85 N PRO A 6 -8.312 -29.316 -9.004 1.00 0.00 N ATOM 86 CA PRO A 6 -7.763 -28.282 -8.088 1.00 0.00 C ATOM 87 C PRO A 6 -6.253 -28.413 -7.906 1.00 0.00 C ATOM 88 O PRO A 6 -5.781 -29.235 -7.120 1.00 0.00 O ATOM 89 CB PRO A 6 -8.500 -28.552 -6.779 1.00 0.00 C ATOM 90 CG PRO A 6 -9.817 -29.135 -7.180 1.00 0.00 C ATOM 91 CD PRO A 6 -9.617 -29.812 -8.541 1.00 0.00 C ATOM 0 HA PRO A 6 -7.908 -27.271 -8.469 1.00 0.00 H new ATOM 0 HB2 PRO A 6 -7.940 -29.242 -6.148 1.00 0.00 H new ATOM 0 HB3 PRO A 6 -8.634 -27.634 -6.207 1.00 0.00 H new ATOM 0 HG2 PRO A 6 -10.160 -29.856 -6.438 1.00 0.00 H new ATOM 0 HG3 PRO A 6 -10.578 -28.358 -7.245 1.00 0.00 H new ATOM 0 HD2 PRO A 6 -9.620 -30.898 -8.450 1.00 0.00 H new ATOM 0 HD3 PRO A 6 -10.413 -29.548 -9.237 1.00 0.00 H new ATOM 99 N ASP A 7 -5.501 -27.595 -8.637 1.00 0.00 N ATOM 100 CA ASP A 7 -4.046 -27.627 -8.548 1.00 0.00 C ATOM 101 C ASP A 7 -3.522 -26.347 -7.903 1.00 0.00 C ATOM 102 O ASP A 7 -2.909 -25.511 -8.566 1.00 0.00 O ATOM 103 CB ASP A 7 -3.441 -27.787 -9.944 1.00 0.00 C ATOM 104 CG ASP A 7 -2.941 -29.216 -10.134 1.00 0.00 C ATOM 105 OD1 ASP A 7 -2.451 -29.783 -9.173 1.00 0.00 O ATOM 106 OD2 ASP A 7 -3.057 -29.721 -11.238 1.00 0.00 O ATOM 0 H ASP A 7 -5.872 -26.907 -9.292 1.00 0.00 H new ATOM 0 HA ASP A 7 -3.755 -28.476 -7.929 1.00 0.00 H new ATOM 0 HB2 ASP A 7 -4.187 -27.550 -10.702 1.00 0.00 H new ATOM 0 HB3 ASP A 7 -2.618 -27.084 -10.076 1.00 0.00 H new ATOM 111 N ASP A 8 -3.770 -26.203 -6.605 1.00 0.00 N ATOM 112 CA ASP A 8 -3.320 -25.021 -5.879 1.00 0.00 C ATOM 113 C ASP A 8 -3.407 -23.780 -6.761 1.00 0.00 C ATOM 114 O ASP A 8 -2.457 -23.002 -6.850 1.00 0.00 O ATOM 115 CB ASP A 8 -1.875 -25.215 -5.411 1.00 0.00 C ATOM 116 CG ASP A 8 -1.556 -26.702 -5.309 1.00 0.00 C ATOM 117 OD1 ASP A 8 -1.783 -27.405 -6.280 1.00 0.00 O ATOM 118 OD2 ASP A 8 -1.089 -27.117 -4.260 1.00 0.00 O ATOM 0 H ASP A 8 -4.276 -26.884 -6.038 1.00 0.00 H new ATOM 0 HA ASP A 8 -3.969 -24.882 -5.014 1.00 0.00 H new ATOM 0 HB2 ASP A 8 -1.190 -24.735 -6.110 1.00 0.00 H new ATOM 0 HB3 ASP A 8 -1.730 -24.736 -4.443 1.00 0.00 H new ATOM 123 N THR A 9 -4.554 -23.598 -7.409 1.00 0.00 N ATOM 124 CA THR A 9 -4.751 -22.444 -8.278 1.00 0.00 C ATOM 125 C THR A 9 -4.630 -21.150 -7.480 1.00 0.00 C ATOM 126 O THR A 9 -4.770 -20.055 -8.025 1.00 0.00 O ATOM 127 CB THR A 9 -6.130 -22.512 -8.939 1.00 0.00 C ATOM 128 OG1 THR A 9 -6.153 -21.655 -10.073 1.00 0.00 O ATOM 129 CG2 THR A 9 -7.200 -22.069 -7.941 1.00 0.00 C ATOM 0 H THR A 9 -5.354 -24.228 -7.350 1.00 0.00 H new ATOM 0 HA THR A 9 -3.981 -22.458 -9.049 1.00 0.00 H new ATOM 0 HB THR A 9 -6.332 -23.536 -9.253 1.00 0.00 H new ATOM 0 HG1 THR A 9 -5.717 -20.806 -9.850 1.00 0.00 H new ATOM 0 HG21 THR A 9 -8.181 -22.118 -8.414 1.00 0.00 H new ATOM 0 HG22 THR A 9 -7.182 -22.727 -7.072 1.00 0.00 H new ATOM 0 HG23 THR A 9 -7.001 -21.045 -7.624 1.00 0.00 H new ATOM 137 N GLY A 10 -4.368 -21.284 -6.183 1.00 0.00 N ATOM 138 CA GLY A 10 -4.228 -20.123 -5.315 1.00 0.00 C ATOM 139 C GLY A 10 -3.788 -20.541 -3.916 1.00 0.00 C ATOM 140 O GLY A 10 -2.598 -20.552 -3.605 1.00 0.00 O ATOM 0 H GLY A 10 -4.249 -22.181 -5.713 1.00 0.00 H new ATOM 0 HA2 GLY A 10 -3.499 -19.432 -5.739 1.00 0.00 H new ATOM 0 HA3 GLY A 10 -5.177 -19.590 -5.258 1.00 0.00 H new ATOM 144 N PRO A 11 -4.728 -20.883 -3.077 1.00 0.00 N ATOM 145 CA PRO A 11 -4.444 -21.316 -1.677 1.00 0.00 C ATOM 146 C PRO A 11 -3.523 -22.532 -1.632 1.00 0.00 C ATOM 147 O PRO A 11 -3.403 -23.269 -2.609 1.00 0.00 O ATOM 148 CB PRO A 11 -5.825 -21.655 -1.098 1.00 0.00 C ATOM 149 CG PRO A 11 -6.744 -21.776 -2.270 1.00 0.00 C ATOM 150 CD PRO A 11 -6.163 -20.896 -3.372 1.00 0.00 C ATOM 0 HA PRO A 11 -3.926 -20.541 -1.111 1.00 0.00 H new ATOM 0 HB2 PRO A 11 -5.792 -22.585 -0.530 1.00 0.00 H new ATOM 0 HB3 PRO A 11 -6.164 -20.876 -0.415 1.00 0.00 H new ATOM 0 HG2 PRO A 11 -6.817 -22.812 -2.600 1.00 0.00 H new ATOM 0 HG3 PRO A 11 -7.751 -21.453 -2.007 1.00 0.00 H new ATOM 0 HD2 PRO A 11 -6.366 -21.305 -4.362 1.00 0.00 H new ATOM 0 HD3 PRO A 11 -6.587 -19.892 -3.349 1.00 0.00 H new ATOM 158 N VAL A 12 -2.871 -22.732 -0.490 1.00 0.00 N ATOM 159 CA VAL A 12 -1.961 -23.859 -0.331 1.00 0.00 C ATOM 160 C VAL A 12 -2.546 -24.895 0.624 1.00 0.00 C ATOM 161 O VAL A 12 -2.682 -24.644 1.822 1.00 0.00 O ATOM 162 CB VAL A 12 -0.616 -23.370 0.207 1.00 0.00 C ATOM 163 CG1 VAL A 12 0.212 -24.567 0.680 1.00 0.00 C ATOM 164 CG2 VAL A 12 0.139 -22.636 -0.905 1.00 0.00 C ATOM 0 H VAL A 12 -2.955 -22.133 0.332 1.00 0.00 H new ATOM 0 HA VAL A 12 -1.817 -24.324 -1.306 1.00 0.00 H new ATOM 0 HB VAL A 12 -0.784 -22.692 1.044 1.00 0.00 H new ATOM 0 HG11 VAL A 12 1.171 -24.218 1.063 1.00 0.00 H new ATOM 0 HG12 VAL A 12 -0.325 -25.092 1.470 1.00 0.00 H new ATOM 0 HG13 VAL A 12 0.381 -25.246 -0.156 1.00 0.00 H new ATOM 0 HG21 VAL A 12 1.098 -22.286 -0.524 1.00 0.00 H new ATOM 0 HG22 VAL A 12 0.306 -23.315 -1.741 1.00 0.00 H new ATOM 0 HG23 VAL A 12 -0.450 -21.783 -1.243 1.00 0.00 H new ATOM 174 N HIS A 13 -2.884 -26.062 0.086 1.00 0.00 N ATOM 175 CA HIS A 13 -3.448 -27.133 0.899 1.00 0.00 C ATOM 176 C HIS A 13 -4.730 -26.672 1.583 1.00 0.00 C ATOM 177 O HIS A 13 -5.827 -27.095 1.218 1.00 0.00 O ATOM 178 CB HIS A 13 -2.434 -27.574 1.954 1.00 0.00 C ATOM 179 CG HIS A 13 -1.593 -28.691 1.401 1.00 0.00 C ATOM 180 ND1 HIS A 13 -1.447 -28.899 0.039 1.00 0.00 N ATOM 181 CD2 HIS A 13 -0.846 -29.668 2.012 1.00 0.00 C ATOM 182 CE1 HIS A 13 -0.640 -29.964 -0.125 1.00 0.00 C ATOM 183 NE2 HIS A 13 -0.246 -30.471 1.046 1.00 0.00 N ATOM 0 H HIS A 13 -2.778 -26.289 -0.903 1.00 0.00 H new ATOM 0 HA HIS A 13 -3.683 -27.973 0.246 1.00 0.00 H new ATOM 0 HB2 HIS A 13 -1.801 -26.734 2.239 1.00 0.00 H new ATOM 0 HB3 HIS A 13 -2.950 -27.904 2.855 1.00 0.00 H new ATOM 0 HD2 HIS A 13 -0.740 -29.794 3.079 1.00 0.00 H new ATOM 0 HE1 HIS A 13 -0.347 -30.360 -1.086 1.00 0.00 H new ATOM 0 HE2 HIS A 13 0.364 -31.274 1.200 1.00 0.00 H new ATOM 191 N VAL A 14 -4.580 -25.808 2.577 1.00 0.00 N ATOM 192 CA VAL A 14 -5.732 -25.296 3.312 1.00 0.00 C ATOM 193 C VAL A 14 -5.708 -23.771 3.356 1.00 0.00 C ATOM 194 O VAL A 14 -4.648 -23.151 3.269 1.00 0.00 O ATOM 195 CB VAL A 14 -5.727 -25.851 4.736 1.00 0.00 C ATOM 196 CG1 VAL A 14 -6.642 -27.076 4.810 1.00 0.00 C ATOM 197 CG2 VAL A 14 -4.302 -26.260 5.119 1.00 0.00 C ATOM 0 H VAL A 14 -3.679 -25.448 2.893 1.00 0.00 H new ATOM 0 HA VAL A 14 -6.639 -25.616 2.799 1.00 0.00 H new ATOM 0 HB VAL A 14 -6.085 -25.086 5.424 1.00 0.00 H new ATOM 0 HG11 VAL A 14 -6.639 -27.472 5.826 1.00 0.00 H new ATOM 0 HG12 VAL A 14 -7.657 -26.789 4.536 1.00 0.00 H new ATOM 0 HG13 VAL A 14 -6.283 -27.841 4.121 1.00 0.00 H new ATOM 0 HG21 VAL A 14 -4.298 -26.656 6.135 1.00 0.00 H new ATOM 0 HG22 VAL A 14 -3.945 -27.025 4.430 1.00 0.00 H new ATOM 0 HG23 VAL A 14 -3.647 -25.390 5.066 1.00 0.00 H new ATOM 207 N PRO A 15 -6.857 -23.166 3.490 1.00 0.00 N ATOM 208 CA PRO A 15 -6.992 -21.681 3.549 1.00 0.00 C ATOM 209 C PRO A 15 -6.517 -21.115 4.881 1.00 0.00 C ATOM 210 O PRO A 15 -7.318 -20.695 5.715 1.00 0.00 O ATOM 211 CB PRO A 15 -8.488 -21.453 3.366 1.00 0.00 C ATOM 212 CG PRO A 15 -9.129 -22.690 3.896 1.00 0.00 C ATOM 213 CD PRO A 15 -8.161 -23.835 3.601 1.00 0.00 C ATOM 0 HA PRO A 15 -6.382 -21.182 2.796 1.00 0.00 H new ATOM 0 HB2 PRO A 15 -8.823 -20.570 3.910 1.00 0.00 H new ATOM 0 HB3 PRO A 15 -8.739 -21.296 2.317 1.00 0.00 H new ATOM 0 HG2 PRO A 15 -9.314 -22.604 4.967 1.00 0.00 H new ATOM 0 HG3 PRO A 15 -10.093 -22.863 3.418 1.00 0.00 H new ATOM 0 HD2 PRO A 15 -8.164 -24.578 4.399 1.00 0.00 H new ATOM 0 HD3 PRO A 15 -8.424 -24.355 2.680 1.00 0.00 H new ATOM 221 N LEU A 16 -5.208 -21.112 5.067 1.00 0.00 N ATOM 222 CA LEU A 16 -4.616 -20.601 6.298 1.00 0.00 C ATOM 223 C LEU A 16 -4.512 -19.079 6.258 1.00 0.00 C ATOM 224 O LEU A 16 -4.064 -18.454 7.218 1.00 0.00 O ATOM 225 CB LEU A 16 -3.223 -21.202 6.494 1.00 0.00 C ATOM 226 CG LEU A 16 -3.320 -22.431 7.399 1.00 0.00 C ATOM 227 CD1 LEU A 16 -2.135 -23.358 7.126 1.00 0.00 C ATOM 228 CD2 LEU A 16 -3.294 -21.988 8.863 1.00 0.00 C ATOM 0 H LEU A 16 -4.533 -21.457 4.384 1.00 0.00 H new ATOM 0 HA LEU A 16 -5.259 -20.886 7.131 1.00 0.00 H new ATOM 0 HB2 LEU A 16 -2.796 -21.480 5.530 1.00 0.00 H new ATOM 0 HB3 LEU A 16 -2.556 -20.463 6.937 1.00 0.00 H new ATOM 0 HG LEU A 16 -4.251 -22.961 7.196 1.00 0.00 H new ATOM 0 HD11 LEU A 16 -2.203 -24.235 7.770 1.00 0.00 H new ATOM 0 HD12 LEU A 16 -2.152 -23.673 6.083 1.00 0.00 H new ATOM 0 HD13 LEU A 16 -1.204 -22.829 7.330 1.00 0.00 H new ATOM 0 HD21 LEU A 16 -3.363 -22.863 9.509 1.00 0.00 H new ATOM 0 HD22 LEU A 16 -2.363 -21.459 9.067 1.00 0.00 H new ATOM 0 HD23 LEU A 16 -4.137 -21.326 9.058 1.00 0.00 H new ATOM 240 N GLY A 17 -4.929 -18.492 5.142 1.00 0.00 N ATOM 241 CA GLY A 17 -4.878 -17.042 4.990 1.00 0.00 C ATOM 242 C GLY A 17 -3.438 -16.542 4.989 1.00 0.00 C ATOM 243 O GLY A 17 -3.061 -15.703 5.807 1.00 0.00 O ATOM 0 H GLY A 17 -5.303 -18.992 4.336 1.00 0.00 H new ATOM 0 HA2 GLY A 17 -5.367 -16.753 4.060 1.00 0.00 H new ATOM 0 HA3 GLY A 17 -5.430 -16.568 5.801 1.00 0.00 H new ATOM 247 N HIS A 18 -2.637 -17.058 4.062 1.00 0.00 N ATOM 248 CA HIS A 18 -1.240 -16.654 3.961 1.00 0.00 C ATOM 249 C HIS A 18 -1.096 -15.468 3.011 1.00 0.00 C ATOM 250 O HIS A 18 -2.019 -15.144 2.265 1.00 0.00 O ATOM 251 CB HIS A 18 -0.394 -17.824 3.455 1.00 0.00 C ATOM 252 CG HIS A 18 -1.303 -18.917 2.961 1.00 0.00 C ATOM 253 ND1 HIS A 18 -1.574 -20.050 3.713 1.00 0.00 N ATOM 254 CD2 HIS A 18 -2.015 -19.061 1.796 1.00 0.00 C ATOM 255 CE1 HIS A 18 -2.417 -20.818 2.999 1.00 0.00 C ATOM 256 NE2 HIS A 18 -2.718 -20.262 1.823 1.00 0.00 N ATOM 0 H HIS A 18 -2.929 -17.752 3.374 1.00 0.00 H new ATOM 0 HA HIS A 18 -0.892 -16.357 4.950 1.00 0.00 H new ATOM 0 HB2 HIS A 18 0.264 -17.492 2.652 1.00 0.00 H new ATOM 0 HB3 HIS A 18 0.244 -18.199 4.255 1.00 0.00 H new ATOM 0 HD1 HIS A 18 -1.202 -20.262 4.639 1.00 0.00 H new ATOM 0 HD2 HIS A 18 -2.028 -18.351 0.983 1.00 0.00 H new ATOM 0 HE1 HIS A 18 -2.803 -21.769 3.336 1.00 0.00 H new ATOM 264 N ILE A 19 0.065 -14.822 3.044 1.00 0.00 N ATOM 265 CA ILE A 19 0.311 -13.672 2.181 1.00 0.00 C ATOM 266 C ILE A 19 1.614 -13.847 1.407 1.00 0.00 C ATOM 267 O ILE A 19 2.585 -14.401 1.924 1.00 0.00 O ATOM 268 CB ILE A 19 0.382 -12.396 3.019 1.00 0.00 C ATOM 269 CG1 ILE A 19 -0.985 -12.124 3.651 1.00 0.00 C ATOM 270 CG2 ILE A 19 0.771 -11.217 2.125 1.00 0.00 C ATOM 271 CD1 ILE A 19 -0.890 -10.907 4.572 1.00 0.00 C ATOM 0 H ILE A 19 0.844 -15.072 3.653 1.00 0.00 H new ATOM 0 HA ILE A 19 -0.512 -13.595 1.470 1.00 0.00 H new ATOM 0 HB ILE A 19 1.129 -12.520 3.803 1.00 0.00 H new ATOM 0 HG12 ILE A 19 -1.728 -11.947 2.873 1.00 0.00 H new ATOM 0 HG13 ILE A 19 -1.316 -12.996 4.216 1.00 0.00 H new ATOM 0 HG21 ILE A 19 0.821 -10.308 2.724 1.00 0.00 H new ATOM 0 HG22 ILE A 19 1.744 -11.408 1.673 1.00 0.00 H new ATOM 0 HG23 ILE A 19 0.025 -11.094 1.340 1.00 0.00 H new ATOM 0 HD11 ILE A 19 -1.864 -10.714 5.022 1.00 0.00 H new ATOM 0 HD12 ILE A 19 -0.160 -11.101 5.358 1.00 0.00 H new ATOM 0 HD13 ILE A 19 -0.578 -10.037 3.994 1.00 0.00 H new ATOM 283 N VAL A 20 1.630 -13.368 0.167 1.00 0.00 N ATOM 284 CA VAL A 20 2.821 -13.475 -0.668 1.00 0.00 C ATOM 285 C VAL A 20 3.543 -12.134 -0.741 1.00 0.00 C ATOM 286 O VAL A 20 2.910 -11.082 -0.815 1.00 0.00 O ATOM 287 CB VAL A 20 2.435 -13.928 -2.077 1.00 0.00 C ATOM 288 CG1 VAL A 20 3.694 -14.051 -2.937 1.00 0.00 C ATOM 289 CG2 VAL A 20 1.736 -15.287 -2.001 1.00 0.00 C ATOM 0 H VAL A 20 0.838 -12.905 -0.279 1.00 0.00 H new ATOM 0 HA VAL A 20 3.489 -14.212 -0.223 1.00 0.00 H new ATOM 0 HB VAL A 20 1.761 -13.196 -2.522 1.00 0.00 H new ATOM 0 HG11 VAL A 20 3.419 -14.374 -3.941 1.00 0.00 H new ATOM 0 HG12 VAL A 20 4.194 -13.084 -2.991 1.00 0.00 H new ATOM 0 HG13 VAL A 20 4.368 -14.783 -2.493 1.00 0.00 H new ATOM 0 HG21 VAL A 20 1.460 -15.611 -3.005 1.00 0.00 H new ATOM 0 HG22 VAL A 20 2.410 -16.019 -1.556 1.00 0.00 H new ATOM 0 HG23 VAL A 20 0.839 -15.201 -1.388 1.00 0.00 H new ATOM 299 N ALA A 21 4.871 -12.180 -0.720 1.00 0.00 N ATOM 300 CA ALA A 21 5.670 -10.962 -0.783 1.00 0.00 C ATOM 301 C ALA A 21 6.617 -11.002 -1.979 1.00 0.00 C ATOM 302 O ALA A 21 7.228 -12.032 -2.264 1.00 0.00 O ATOM 303 CB ALA A 21 6.478 -10.802 0.506 1.00 0.00 C ATOM 0 H ALA A 21 5.414 -13.042 -0.660 1.00 0.00 H new ATOM 0 HA ALA A 21 4.996 -10.113 -0.898 1.00 0.00 H new ATOM 0 HB1 ALA A 21 7.073 -9.890 0.452 1.00 0.00 H new ATOM 0 HB2 ALA A 21 5.799 -10.742 1.356 1.00 0.00 H new ATOM 0 HB3 ALA A 21 7.139 -11.659 0.630 1.00 0.00 H new ATOM 309 N ASN A 22 6.736 -9.874 -2.673 1.00 0.00 N ATOM 310 CA ASN A 22 7.613 -9.792 -3.836 1.00 0.00 C ATOM 311 C ASN A 22 9.075 -9.745 -3.402 1.00 0.00 C ATOM 312 O ASN A 22 9.479 -8.867 -2.640 1.00 0.00 O ATOM 313 CB ASN A 22 7.282 -8.543 -4.655 1.00 0.00 C ATOM 314 CG ASN A 22 8.130 -8.511 -5.922 1.00 0.00 C ATOM 315 OD1 ASN A 22 8.824 -9.565 -6.259 1.00 0.00 O flip ATOM 316 ND2 ASN A 22 8.163 -7.500 -6.623 1.00 0.00 N flip ATOM 0 H ASN A 22 6.240 -9.010 -2.453 1.00 0.00 H new ATOM 0 HA ASN A 22 7.455 -10.679 -4.449 1.00 0.00 H new ATOM 0 HB2 ASN A 22 6.224 -8.539 -4.916 1.00 0.00 H new ATOM 0 HB3 ASN A 22 7.468 -7.648 -4.061 1.00 0.00 H new ATOM 0 HD21 ASN A 22 7.620 -6.678 -6.358 1.00 0.00 H new ATOM 0 HD22 ASN A 22 8.733 -7.484 -7.469 1.00 0.00 H new ATOM 323 N GLU A 23 9.863 -10.695 -3.894 1.00 0.00 N ATOM 324 CA GLU A 23 11.279 -10.753 -3.551 1.00 0.00 C ATOM 325 C GLU A 23 11.920 -9.376 -3.688 1.00 0.00 C ATOM 326 O GLU A 23 12.925 -9.080 -3.042 1.00 0.00 O ATOM 327 CB GLU A 23 11.997 -11.748 -4.465 1.00 0.00 C ATOM 328 CG GLU A 23 13.306 -12.191 -3.811 1.00 0.00 C ATOM 329 CD GLU A 23 13.144 -13.584 -3.212 1.00 0.00 C ATOM 330 OE1 GLU A 23 12.663 -14.458 -3.917 1.00 0.00 O ATOM 331 OE2 GLU A 23 13.503 -13.758 -2.060 1.00 0.00 O ATOM 0 H GLU A 23 9.548 -11.430 -4.527 1.00 0.00 H new ATOM 0 HA GLU A 23 11.371 -11.081 -2.516 1.00 0.00 H new ATOM 0 HB2 GLU A 23 11.360 -12.613 -4.650 1.00 0.00 H new ATOM 0 HB3 GLU A 23 12.199 -11.288 -5.432 1.00 0.00 H new ATOM 0 HG2 GLU A 23 14.108 -12.195 -4.549 1.00 0.00 H new ATOM 0 HG3 GLU A 23 13.592 -11.483 -3.033 1.00 0.00 H new ATOM 338 N LYS A 24 11.330 -8.536 -4.534 1.00 0.00 N ATOM 339 CA LYS A 24 11.850 -7.191 -4.749 1.00 0.00 C ATOM 340 C LYS A 24 11.486 -6.286 -3.576 1.00 0.00 C ATOM 341 O LYS A 24 12.265 -5.418 -3.183 1.00 0.00 O ATOM 342 CB LYS A 24 11.272 -6.612 -6.041 1.00 0.00 C ATOM 343 CG LYS A 24 11.617 -5.124 -6.137 1.00 0.00 C ATOM 344 CD LYS A 24 11.572 -4.684 -7.602 1.00 0.00 C ATOM 345 CE LYS A 24 12.208 -3.300 -7.738 1.00 0.00 C ATOM 346 NZ LYS A 24 12.565 -2.781 -6.387 1.00 0.00 N ATOM 0 H LYS A 24 10.497 -8.762 -5.078 1.00 0.00 H new ATOM 0 HA LYS A 24 12.936 -7.246 -4.829 1.00 0.00 H new ATOM 0 HB2 LYS A 24 11.675 -7.145 -6.902 1.00 0.00 H new ATOM 0 HB3 LYS A 24 10.191 -6.747 -6.060 1.00 0.00 H new ATOM 0 HG2 LYS A 24 10.912 -4.537 -5.548 1.00 0.00 H new ATOM 0 HG3 LYS A 24 12.608 -4.942 -5.722 1.00 0.00 H new ATOM 0 HD2 LYS A 24 12.103 -5.403 -8.225 1.00 0.00 H new ATOM 0 HD3 LYS A 24 10.541 -4.658 -7.954 1.00 0.00 H new ATOM 0 HE2 LYS A 24 13.098 -3.357 -8.364 1.00 0.00 H new ATOM 0 HE3 LYS A 24 11.516 -2.617 -8.230 1.00 0.00 H new ATOM 0 HZ1 LYS A 24 12.822 -1.776 -6.458 1.00 0.00 H new ATOM 0 HZ2 LYS A 24 11.751 -2.886 -5.749 1.00 0.00 H new ATOM 0 HZ3 LYS A 24 13.372 -3.319 -6.011 1.00 0.00 H new ATOM 360 N TRP A 25 10.296 -6.498 -3.025 1.00 0.00 N ATOM 361 CA TRP A 25 9.830 -5.700 -1.898 1.00 0.00 C ATOM 362 C TRP A 25 10.215 -6.363 -0.578 1.00 0.00 C ATOM 363 O TRP A 25 9.936 -5.833 0.498 1.00 0.00 O ATOM 364 CB TRP A 25 8.310 -5.541 -1.971 1.00 0.00 C ATOM 365 CG TRP A 25 7.795 -4.996 -0.676 1.00 0.00 C ATOM 366 CD1 TRP A 25 6.869 -5.600 0.105 1.00 0.00 C ATOM 367 CD2 TRP A 25 8.152 -3.754 -0.002 1.00 0.00 C ATOM 368 NE1 TRP A 25 6.636 -4.808 1.214 1.00 0.00 N ATOM 369 CE2 TRP A 25 7.403 -3.660 1.194 1.00 0.00 C ATOM 370 CE3 TRP A 25 9.045 -2.712 -0.308 1.00 0.00 C ATOM 371 CZ2 TRP A 25 7.534 -2.571 2.056 1.00 0.00 C ATOM 372 CZ3 TRP A 25 9.179 -1.612 0.557 1.00 0.00 C ATOM 373 CH2 TRP A 25 8.425 -1.543 1.737 1.00 0.00 C ATOM 0 H TRP A 25 9.639 -7.213 -3.339 1.00 0.00 H new ATOM 0 HA TRP A 25 10.301 -4.718 -1.947 1.00 0.00 H new ATOM 0 HB2 TRP A 25 8.044 -4.872 -2.789 1.00 0.00 H new ATOM 0 HB3 TRP A 25 7.844 -6.504 -2.182 1.00 0.00 H new ATOM 0 HD1 TRP A 25 6.391 -6.545 -0.104 1.00 0.00 H new ATOM 0 HE1 TRP A 25 5.978 -5.043 1.957 1.00 0.00 H new ATOM 0 HE3 TRP A 25 9.632 -2.757 -1.214 1.00 0.00 H new ATOM 0 HZ2 TRP A 25 6.951 -2.523 2.964 1.00 0.00 H new ATOM 0 HZ3 TRP A 25 9.866 -0.816 0.311 1.00 0.00 H new ATOM 0 HH2 TRP A 25 8.533 -0.696 2.399 1.00 0.00 H new ATOM 384 N ARG A 26 10.858 -7.522 -0.669 1.00 0.00 N ATOM 385 CA ARG A 26 11.279 -8.250 0.523 1.00 0.00 C ATOM 386 C ARG A 26 12.423 -7.521 1.220 1.00 0.00 C ATOM 387 O ARG A 26 12.741 -7.804 2.375 1.00 0.00 O ATOM 388 CB ARG A 26 11.727 -9.664 0.142 1.00 0.00 C ATOM 389 CG ARG A 26 12.488 -10.295 1.310 1.00 0.00 C ATOM 390 CD ARG A 26 12.687 -11.789 1.042 1.00 0.00 C ATOM 391 NE ARG A 26 12.924 -12.501 2.293 1.00 0.00 N ATOM 392 CZ ARG A 26 13.598 -13.647 2.313 1.00 0.00 C ATOM 393 NH1 ARG A 26 14.058 -14.154 1.203 1.00 0.00 N ATOM 394 NH2 ARG A 26 13.798 -14.266 3.445 1.00 0.00 N ATOM 0 H ARG A 26 11.098 -7.976 -1.550 1.00 0.00 H new ATOM 0 HA ARG A 26 10.432 -8.310 1.207 1.00 0.00 H new ATOM 0 HB2 ARG A 26 10.861 -10.274 -0.113 1.00 0.00 H new ATOM 0 HB3 ARG A 26 12.363 -9.629 -0.743 1.00 0.00 H new ATOM 0 HG2 ARG A 26 13.454 -9.805 1.436 1.00 0.00 H new ATOM 0 HG3 ARG A 26 11.935 -10.152 2.238 1.00 0.00 H new ATOM 0 HD2 ARG A 26 11.807 -12.197 0.545 1.00 0.00 H new ATOM 0 HD3 ARG A 26 13.530 -11.935 0.367 1.00 0.00 H new ATOM 0 HE ARG A 26 12.567 -12.114 3.166 1.00 0.00 H new ATOM 0 HH11 ARG A 26 13.901 -13.671 0.318 1.00 0.00 H new ATOM 0 HH12 ARG A 26 14.575 -15.033 1.220 1.00 0.00 H new ATOM 0 HH21 ARG A 26 13.437 -13.870 4.313 1.00 0.00 H new ATOM 0 HH22 ARG A 26 14.315 -15.145 3.461 1.00 0.00 H new ATOM 408 N GLY A 27 13.039 -6.580 0.510 1.00 0.00 N ATOM 409 CA GLY A 27 14.147 -5.817 1.070 1.00 0.00 C ATOM 410 C GLY A 27 13.658 -4.857 2.149 1.00 0.00 C ATOM 411 O GLY A 27 14.300 -3.844 2.430 1.00 0.00 O ATOM 0 H GLY A 27 12.791 -6.330 -0.447 1.00 0.00 H new ATOM 0 HA2 GLY A 27 14.886 -6.498 1.492 1.00 0.00 H new ATOM 0 HA3 GLY A 27 14.645 -5.257 0.278 1.00 0.00 H new ATOM 415 N SER A 28 12.518 -5.182 2.749 1.00 0.00 N ATOM 416 CA SER A 28 11.951 -4.341 3.798 1.00 0.00 C ATOM 417 C SER A 28 11.737 -5.147 5.076 1.00 0.00 C ATOM 418 O SER A 28 11.387 -6.325 5.027 1.00 0.00 O ATOM 419 CB SER A 28 10.618 -3.755 3.335 1.00 0.00 C ATOM 420 OG SER A 28 10.827 -2.433 2.856 1.00 0.00 O ATOM 0 H SER A 28 11.972 -6.015 2.530 1.00 0.00 H new ATOM 0 HA SER A 28 12.651 -3.532 4.005 1.00 0.00 H new ATOM 0 HB2 SER A 28 10.189 -4.375 2.548 1.00 0.00 H new ATOM 0 HB3 SER A 28 9.905 -3.747 4.160 1.00 0.00 H new ATOM 0 HG SER A 28 10.281 -2.285 2.056 1.00 0.00 H new ATOM 426 N GLN A 29 11.951 -4.500 6.217 1.00 0.00 N ATOM 427 CA GLN A 29 11.779 -5.163 7.505 1.00 0.00 C ATOM 428 C GLN A 29 10.297 -5.323 7.831 1.00 0.00 C ATOM 429 O GLN A 29 9.923 -6.113 8.697 1.00 0.00 O ATOM 430 CB GLN A 29 12.468 -4.355 8.606 1.00 0.00 C ATOM 431 CG GLN A 29 13.932 -4.787 8.715 1.00 0.00 C ATOM 432 CD GLN A 29 14.641 -3.960 9.783 1.00 0.00 C ATOM 433 OE1 GLN A 29 14.056 -3.652 10.821 1.00 0.00 O ATOM 434 NE2 GLN A 29 15.874 -3.582 9.589 1.00 0.00 N ATOM 0 H GLN A 29 12.242 -3.524 6.277 1.00 0.00 H new ATOM 0 HA GLN A 29 12.233 -6.152 7.448 1.00 0.00 H new ATOM 0 HB2 GLN A 29 12.408 -3.290 8.382 1.00 0.00 H new ATOM 0 HB3 GLN A 29 11.960 -4.510 9.558 1.00 0.00 H new ATOM 0 HG2 GLN A 29 13.990 -5.846 8.966 1.00 0.00 H new ATOM 0 HG3 GLN A 29 14.430 -4.659 7.754 1.00 0.00 H new ATOM 0 HE21 GLN A 29 16.357 -3.839 8.728 1.00 0.00 H new ATOM 0 HE22 GLN A 29 16.356 -3.030 10.298 1.00 0.00 H new ATOM 443 N LEU A 30 9.458 -4.568 7.132 1.00 0.00 N ATOM 444 CA LEU A 30 8.018 -4.635 7.352 1.00 0.00 C ATOM 445 C LEU A 30 7.535 -6.076 7.245 1.00 0.00 C ATOM 446 O LEU A 30 7.063 -6.661 8.220 1.00 0.00 O ATOM 447 CB LEU A 30 7.304 -3.772 6.308 1.00 0.00 C ATOM 448 CG LEU A 30 5.783 -3.950 6.412 1.00 0.00 C ATOM 449 CD1 LEU A 30 5.342 -5.241 5.713 1.00 0.00 C ATOM 450 CD2 LEU A 30 5.369 -3.997 7.884 1.00 0.00 C ATOM 0 H LEU A 30 9.747 -3.906 6.412 1.00 0.00 H new ATOM 0 HA LEU A 30 7.792 -4.263 8.351 1.00 0.00 H new ATOM 0 HB2 LEU A 30 7.564 -2.724 6.455 1.00 0.00 H new ATOM 0 HB3 LEU A 30 7.641 -4.047 5.308 1.00 0.00 H new ATOM 0 HG LEU A 30 5.300 -3.105 5.922 1.00 0.00 H new ATOM 0 HD11 LEU A 30 4.261 -5.349 5.798 1.00 0.00 H new ATOM 0 HD12 LEU A 30 5.621 -5.198 4.660 1.00 0.00 H new ATOM 0 HD13 LEU A 30 5.830 -6.095 6.183 1.00 0.00 H new ATOM 0 HD21 LEU A 30 4.289 -4.123 7.954 1.00 0.00 H new ATOM 0 HD22 LEU A 30 5.865 -4.834 8.375 1.00 0.00 H new ATOM 0 HD23 LEU A 30 5.658 -3.067 8.373 1.00 0.00 H new ATOM 462 N ALA A 31 7.655 -6.637 6.050 1.00 0.00 N ATOM 463 CA ALA A 31 7.225 -8.011 5.809 1.00 0.00 C ATOM 464 C ALA A 31 7.794 -8.952 6.869 1.00 0.00 C ATOM 465 O ALA A 31 7.123 -9.889 7.302 1.00 0.00 O ATOM 466 CB ALA A 31 7.686 -8.466 4.422 1.00 0.00 C ATOM 0 H ALA A 31 8.045 -6.166 5.234 1.00 0.00 H new ATOM 0 HA ALA A 31 6.137 -8.042 5.862 1.00 0.00 H new ATOM 0 HB1 ALA A 31 7.362 -9.492 4.249 1.00 0.00 H new ATOM 0 HB2 ALA A 31 7.252 -7.815 3.663 1.00 0.00 H new ATOM 0 HB3 ALA A 31 8.773 -8.415 4.365 1.00 0.00 H new ATOM 472 N GLN A 32 9.033 -8.702 7.276 1.00 0.00 N ATOM 473 CA GLN A 32 9.681 -9.540 8.279 1.00 0.00 C ATOM 474 C GLN A 32 8.836 -9.624 9.546 1.00 0.00 C ATOM 475 O GLN A 32 8.858 -10.632 10.251 1.00 0.00 O ATOM 476 CB GLN A 32 11.062 -8.977 8.621 1.00 0.00 C ATOM 477 CG GLN A 32 12.135 -9.736 7.840 1.00 0.00 C ATOM 478 CD GLN A 32 12.377 -11.101 8.475 1.00 0.00 C ATOM 479 OE1 GLN A 32 11.801 -11.394 9.609 1.00 0.00 O flip ATOM 480 NE2 GLN A 32 13.110 -11.922 7.924 1.00 0.00 N flip ATOM 0 H GLN A 32 9.606 -7.932 6.930 1.00 0.00 H new ATOM 0 HA GLN A 32 9.789 -10.542 7.865 1.00 0.00 H new ATOM 0 HB2 GLN A 32 11.103 -7.915 8.377 1.00 0.00 H new ATOM 0 HB3 GLN A 32 11.247 -9.065 9.692 1.00 0.00 H new ATOM 0 HG2 GLN A 32 11.823 -9.859 6.803 1.00 0.00 H new ATOM 0 HG3 GLN A 32 13.062 -9.162 7.828 1.00 0.00 H new ATOM 0 HE21 GLN A 32 13.559 -11.691 7.038 1.00 0.00 H new ATOM 0 HE22 GLN A 32 13.268 -12.833 8.354 1.00 0.00 H new ATOM 489 N GLU A 33 8.094 -8.558 9.831 1.00 0.00 N ATOM 490 CA GLU A 33 7.249 -8.527 11.019 1.00 0.00 C ATOM 491 C GLU A 33 6.033 -9.431 10.841 1.00 0.00 C ATOM 492 O GLU A 33 5.690 -10.206 11.734 1.00 0.00 O ATOM 493 CB GLU A 33 6.790 -7.094 11.297 1.00 0.00 C ATOM 494 CG GLU A 33 7.921 -6.322 11.980 1.00 0.00 C ATOM 495 CD GLU A 33 9.114 -6.202 11.037 1.00 0.00 C ATOM 496 OE1 GLU A 33 9.721 -7.220 10.750 1.00 0.00 O ATOM 497 OE2 GLU A 33 9.402 -5.093 10.617 1.00 0.00 O ATOM 0 H GLU A 33 8.061 -7.712 9.262 1.00 0.00 H new ATOM 0 HA GLU A 33 7.833 -8.891 11.865 1.00 0.00 H new ATOM 0 HB2 GLU A 33 6.510 -6.603 10.365 1.00 0.00 H new ATOM 0 HB3 GLU A 33 5.904 -7.101 11.932 1.00 0.00 H new ATOM 0 HG2 GLU A 33 7.573 -5.330 12.268 1.00 0.00 H new ATOM 0 HG3 GLU A 33 8.220 -6.833 12.895 1.00 0.00 H new ATOM 504 N MET A 34 5.387 -9.329 9.685 1.00 0.00 N ATOM 505 CA MET A 34 4.213 -10.148 9.407 1.00 0.00 C ATOM 506 C MET A 34 4.463 -11.593 9.825 1.00 0.00 C ATOM 507 O MET A 34 3.541 -12.303 10.225 1.00 0.00 O ATOM 508 CB MET A 34 3.881 -10.097 7.914 1.00 0.00 C ATOM 509 CG MET A 34 3.276 -8.735 7.565 1.00 0.00 C ATOM 510 SD MET A 34 2.077 -8.936 6.223 1.00 0.00 S ATOM 511 CE MET A 34 2.914 -7.884 5.014 1.00 0.00 C ATOM 0 H MET A 34 5.653 -8.694 8.932 1.00 0.00 H new ATOM 0 HA MET A 34 3.372 -9.754 9.978 1.00 0.00 H new ATOM 0 HB2 MET A 34 4.783 -10.267 7.325 1.00 0.00 H new ATOM 0 HB3 MET A 34 3.180 -10.892 7.660 1.00 0.00 H new ATOM 0 HG2 MET A 34 2.790 -8.306 8.441 1.00 0.00 H new ATOM 0 HG3 MET A 34 4.062 -8.042 7.265 1.00 0.00 H new ATOM 0 HE1 MET A 34 2.498 -8.066 4.023 1.00 0.00 H new ATOM 0 HE2 MET A 34 2.770 -6.837 5.281 1.00 0.00 H new ATOM 0 HE3 MET A 34 3.980 -8.113 5.008 1.00 0.00 H new ATOM 521 N GLN A 35 5.718 -12.020 9.729 1.00 0.00 N ATOM 522 CA GLN A 35 6.083 -13.383 10.100 1.00 0.00 C ATOM 523 C GLN A 35 5.974 -13.578 11.609 1.00 0.00 C ATOM 524 O GLN A 35 6.411 -14.596 12.145 1.00 0.00 O ATOM 525 CB GLN A 35 7.513 -13.678 9.646 1.00 0.00 C ATOM 526 CG GLN A 35 7.527 -13.961 8.143 1.00 0.00 C ATOM 527 CD GLN A 35 8.940 -14.315 7.691 1.00 0.00 C ATOM 528 OE1 GLN A 35 9.314 -15.488 7.688 1.00 0.00 O ATOM 529 NE2 GLN A 35 9.751 -13.368 7.307 1.00 0.00 N ATOM 0 H GLN A 35 6.495 -11.447 9.400 1.00 0.00 H new ATOM 0 HA GLN A 35 5.395 -14.071 9.609 1.00 0.00 H new ATOM 0 HB2 GLN A 35 8.159 -12.830 9.872 1.00 0.00 H new ATOM 0 HB3 GLN A 35 7.909 -14.535 10.191 1.00 0.00 H new ATOM 0 HG2 GLN A 35 6.847 -14.781 7.913 1.00 0.00 H new ATOM 0 HG3 GLN A 35 7.170 -13.088 7.597 1.00 0.00 H new ATOM 0 HE21 GLN A 35 9.439 -12.397 7.310 1.00 0.00 H new ATOM 0 HE22 GLN A 35 10.697 -13.599 7.003 1.00 0.00 H new ATOM 538 N GLY A 36 5.394 -12.594 12.288 1.00 0.00 N ATOM 539 CA GLY A 36 5.240 -12.668 13.737 1.00 0.00 C ATOM 540 C GLY A 36 3.923 -13.337 14.121 1.00 0.00 C ATOM 541 O GLY A 36 3.832 -13.994 15.159 1.00 0.00 O ATOM 0 H GLY A 36 5.026 -11.743 11.863 1.00 0.00 H new ATOM 0 HA2 GLY A 36 6.072 -13.226 14.165 1.00 0.00 H new ATOM 0 HA3 GLY A 36 5.278 -11.664 14.161 1.00 0.00 H new ATOM 545 N LYS A 37 2.903 -13.164 13.287 1.00 0.00 N ATOM 546 CA LYS A 37 1.598 -13.756 13.562 1.00 0.00 C ATOM 547 C LYS A 37 1.062 -14.488 12.335 1.00 0.00 C ATOM 548 O LYS A 37 0.537 -15.596 12.445 1.00 0.00 O ATOM 549 CB LYS A 37 0.610 -12.665 13.979 1.00 0.00 C ATOM 550 CG LYS A 37 1.223 -11.826 15.102 1.00 0.00 C ATOM 551 CD LYS A 37 0.108 -11.153 15.907 1.00 0.00 C ATOM 552 CE LYS A 37 0.713 -10.093 16.830 1.00 0.00 C ATOM 553 NZ LYS A 37 1.459 -10.763 17.934 1.00 0.00 N ATOM 0 H LYS A 37 2.953 -12.624 12.423 1.00 0.00 H new ATOM 0 HA LYS A 37 1.714 -14.476 14.373 1.00 0.00 H new ATOM 0 HB2 LYS A 37 0.370 -12.031 13.126 1.00 0.00 H new ATOM 0 HB3 LYS A 37 -0.325 -13.114 14.315 1.00 0.00 H new ATOM 0 HG2 LYS A 37 1.826 -12.458 15.754 1.00 0.00 H new ATOM 0 HG3 LYS A 37 1.890 -11.072 14.684 1.00 0.00 H new ATOM 0 HD2 LYS A 37 -0.615 -10.694 15.233 1.00 0.00 H new ATOM 0 HD3 LYS A 37 -0.431 -11.897 16.494 1.00 0.00 H new ATOM 0 HE2 LYS A 37 1.383 -9.444 16.266 1.00 0.00 H new ATOM 0 HE3 LYS A 37 -0.074 -9.460 17.240 1.00 0.00 H new ATOM 0 HZ1 LYS A 37 1.842 -10.044 18.581 1.00 0.00 H new ATOM 0 HZ2 LYS A 37 0.816 -11.391 18.457 1.00 0.00 H new ATOM 0 HZ3 LYS A 37 2.241 -11.322 17.536 1.00 0.00 H new ATOM 567 N ILE A 38 1.193 -13.863 11.170 1.00 0.00 N ATOM 568 CA ILE A 38 0.712 -14.469 9.933 1.00 0.00 C ATOM 569 C ILE A 38 1.874 -15.041 9.125 1.00 0.00 C ATOM 570 O ILE A 38 3.031 -14.691 9.350 1.00 0.00 O ATOM 571 CB ILE A 38 -0.033 -13.428 9.096 1.00 0.00 C ATOM 572 CG1 ILE A 38 -0.909 -14.139 8.062 1.00 0.00 C ATOM 573 CG2 ILE A 38 0.975 -12.527 8.377 1.00 0.00 C ATOM 574 CD1 ILE A 38 -1.978 -14.964 8.780 1.00 0.00 C ATOM 0 H ILE A 38 1.624 -12.946 11.056 1.00 0.00 H new ATOM 0 HA ILE A 38 0.032 -15.281 10.191 1.00 0.00 H new ATOM 0 HB ILE A 38 -0.659 -12.820 9.749 1.00 0.00 H new ATOM 0 HG12 ILE A 38 -1.379 -13.408 7.404 1.00 0.00 H new ATOM 0 HG13 ILE A 38 -0.296 -14.786 7.434 1.00 0.00 H new ATOM 0 HG21 ILE A 38 0.441 -11.786 7.782 1.00 0.00 H new ATOM 0 HG22 ILE A 38 1.599 -12.020 9.113 1.00 0.00 H new ATOM 0 HG23 ILE A 38 1.604 -13.133 7.724 1.00 0.00 H new ATOM 0 HD11 ILE A 38 -2.602 -15.471 8.044 1.00 0.00 H new ATOM 0 HD12 ILE A 38 -1.498 -15.705 9.419 1.00 0.00 H new ATOM 0 HD13 ILE A 38 -2.597 -14.306 9.389 1.00 0.00 H new ATOM 586 N LYS A 39 1.554 -15.922 8.182 1.00 0.00 N ATOM 587 CA LYS A 39 2.581 -16.536 7.345 1.00 0.00 C ATOM 588 C LYS A 39 2.884 -15.652 6.139 1.00 0.00 C ATOM 589 O LYS A 39 2.016 -14.926 5.656 1.00 0.00 O ATOM 590 CB LYS A 39 2.111 -17.913 6.868 1.00 0.00 C ATOM 591 CG LYS A 39 3.105 -18.466 5.844 1.00 0.00 C ATOM 592 CD LYS A 39 2.793 -19.940 5.571 1.00 0.00 C ATOM 593 CE LYS A 39 4.053 -20.779 5.785 1.00 0.00 C ATOM 594 NZ LYS A 39 3.860 -22.129 5.180 1.00 0.00 N ATOM 0 H LYS A 39 0.601 -16.225 7.979 1.00 0.00 H new ATOM 0 HA LYS A 39 3.489 -16.649 7.937 1.00 0.00 H new ATOM 0 HB2 LYS A 39 2.028 -18.594 7.715 1.00 0.00 H new ATOM 0 HB3 LYS A 39 1.119 -17.836 6.423 1.00 0.00 H new ATOM 0 HG2 LYS A 39 3.046 -17.894 4.918 1.00 0.00 H new ATOM 0 HG3 LYS A 39 4.124 -18.362 6.218 1.00 0.00 H new ATOM 0 HD2 LYS A 39 1.999 -20.283 6.234 1.00 0.00 H new ATOM 0 HD3 LYS A 39 2.431 -20.063 4.550 1.00 0.00 H new ATOM 0 HE2 LYS A 39 4.913 -20.285 5.332 1.00 0.00 H new ATOM 0 HE3 LYS A 39 4.264 -20.873 6.850 1.00 0.00 H new ATOM 0 HZ1 LYS A 39 4.717 -22.700 5.325 1.00 0.00 H new ATOM 0 HZ2 LYS A 39 3.050 -22.599 5.632 1.00 0.00 H new ATOM 0 HZ3 LYS A 39 3.679 -22.030 4.161 1.00 0.00 H new ATOM 608 N LEU A 40 4.123 -15.717 5.659 1.00 0.00 N ATOM 609 CA LEU A 40 4.527 -14.914 4.511 1.00 0.00 C ATOM 610 C LEU A 40 5.371 -15.738 3.544 1.00 0.00 C ATOM 611 O LEU A 40 6.316 -16.413 3.951 1.00 0.00 O ATOM 612 CB LEU A 40 5.329 -13.699 4.981 1.00 0.00 C ATOM 613 CG LEU A 40 5.341 -12.636 3.881 1.00 0.00 C ATOM 614 CD1 LEU A 40 3.956 -11.995 3.774 1.00 0.00 C ATOM 615 CD2 LEU A 40 6.375 -11.561 4.222 1.00 0.00 C ATOM 0 H LEU A 40 4.857 -16.311 6.043 1.00 0.00 H new ATOM 0 HA LEU A 40 3.628 -14.581 3.993 1.00 0.00 H new ATOM 0 HB2 LEU A 40 4.890 -13.290 5.891 1.00 0.00 H new ATOM 0 HB3 LEU A 40 6.349 -13.996 5.225 1.00 0.00 H new ATOM 0 HG LEU A 40 5.600 -13.101 2.930 1.00 0.00 H new ATOM 0 HD11 LEU A 40 3.965 -11.238 2.990 1.00 0.00 H new ATOM 0 HD12 LEU A 40 3.219 -12.760 3.531 1.00 0.00 H new ATOM 0 HD13 LEU A 40 3.696 -11.530 4.725 1.00 0.00 H new ATOM 0 HD21 LEU A 40 6.384 -10.803 3.438 1.00 0.00 H new ATOM 0 HD22 LEU A 40 6.116 -11.096 5.173 1.00 0.00 H new ATOM 0 HD23 LEU A 40 7.362 -12.017 4.297 1.00 0.00 H new ATOM 627 N ILE A 41 5.025 -15.674 2.263 1.00 0.00 N ATOM 628 CA ILE A 41 5.760 -16.415 1.244 1.00 0.00 C ATOM 629 C ILE A 41 6.447 -15.451 0.282 1.00 0.00 C ATOM 630 O ILE A 41 5.799 -14.599 -0.324 1.00 0.00 O ATOM 631 CB ILE A 41 4.807 -17.324 0.467 1.00 0.00 C ATOM 632 CG1 ILE A 41 3.965 -18.141 1.451 1.00 0.00 C ATOM 633 CG2 ILE A 41 5.616 -18.273 -0.420 1.00 0.00 C ATOM 634 CD1 ILE A 41 3.187 -19.215 0.689 1.00 0.00 C ATOM 0 H ILE A 41 4.246 -15.121 1.907 1.00 0.00 H new ATOM 0 HA ILE A 41 6.517 -17.025 1.736 1.00 0.00 H new ATOM 0 HB ILE A 41 4.151 -16.715 -0.155 1.00 0.00 H new ATOM 0 HG12 ILE A 41 4.608 -18.605 2.199 1.00 0.00 H new ATOM 0 HG13 ILE A 41 3.275 -17.488 1.985 1.00 0.00 H new ATOM 0 HG21 ILE A 41 4.937 -18.921 -0.974 1.00 0.00 H new ATOM 0 HG22 ILE A 41 6.216 -17.693 -1.121 1.00 0.00 H new ATOM 0 HG23 ILE A 41 6.272 -18.882 0.202 1.00 0.00 H new ATOM 0 HD11 ILE A 41 2.588 -19.796 1.390 1.00 0.00 H new ATOM 0 HD12 ILE A 41 2.532 -18.740 -0.042 1.00 0.00 H new ATOM 0 HD13 ILE A 41 3.886 -19.875 0.175 1.00 0.00 H new ATOM 646 N PHE A 42 7.761 -15.590 0.152 1.00 0.00 N ATOM 647 CA PHE A 42 8.524 -14.721 -0.736 1.00 0.00 C ATOM 648 C PHE A 42 8.578 -15.300 -2.145 1.00 0.00 C ATOM 649 O PHE A 42 9.071 -16.408 -2.354 1.00 0.00 O ATOM 650 CB PHE A 42 9.944 -14.544 -0.196 1.00 0.00 C ATOM 651 CG PHE A 42 9.881 -13.994 1.208 1.00 0.00 C ATOM 652 CD1 PHE A 42 9.538 -12.654 1.420 1.00 0.00 C ATOM 653 CD2 PHE A 42 10.162 -14.825 2.300 1.00 0.00 C ATOM 654 CE1 PHE A 42 9.477 -12.144 2.723 1.00 0.00 C ATOM 655 CE2 PHE A 42 10.100 -14.316 3.602 1.00 0.00 C ATOM 656 CZ PHE A 42 9.758 -12.975 3.813 1.00 0.00 C ATOM 0 H PHE A 42 8.316 -16.289 0.645 1.00 0.00 H new ATOM 0 HA PHE A 42 8.027 -13.752 -0.779 1.00 0.00 H new ATOM 0 HB2 PHE A 42 10.469 -15.499 -0.201 1.00 0.00 H new ATOM 0 HB3 PHE A 42 10.508 -13.868 -0.839 1.00 0.00 H new ATOM 0 HD1 PHE A 42 9.320 -12.013 0.579 1.00 0.00 H new ATOM 0 HD2 PHE A 42 10.427 -15.859 2.137 1.00 0.00 H new ATOM 0 HE1 PHE A 42 9.213 -11.110 2.886 1.00 0.00 H new ATOM 0 HE2 PHE A 42 10.316 -14.957 4.444 1.00 0.00 H new ATOM 0 HZ PHE A 42 9.711 -12.582 4.818 1.00 0.00 H new ATOM 666 N GLU A 43 8.066 -14.540 -3.107 1.00 0.00 N ATOM 667 CA GLU A 43 8.059 -14.982 -4.496 1.00 0.00 C ATOM 668 C GLU A 43 8.711 -13.934 -5.392 1.00 0.00 C ATOM 669 O GLU A 43 8.405 -12.745 -5.297 1.00 0.00 O ATOM 670 CB GLU A 43 6.621 -15.228 -4.959 1.00 0.00 C ATOM 671 CG GLU A 43 6.154 -16.598 -4.469 1.00 0.00 C ATOM 672 CD GLU A 43 6.775 -17.697 -5.323 1.00 0.00 C ATOM 673 OE1 GLU A 43 7.931 -18.015 -5.097 1.00 0.00 O ATOM 674 OE2 GLU A 43 6.085 -18.206 -6.192 1.00 0.00 O ATOM 0 H GLU A 43 7.653 -13.620 -2.952 1.00 0.00 H new ATOM 0 HA GLU A 43 8.626 -15.910 -4.566 1.00 0.00 H new ATOM 0 HB2 GLU A 43 5.965 -14.449 -4.572 1.00 0.00 H new ATOM 0 HB3 GLU A 43 6.565 -15.181 -6.047 1.00 0.00 H new ATOM 0 HG2 GLU A 43 6.435 -16.735 -3.425 1.00 0.00 H new ATOM 0 HG3 GLU A 43 5.067 -16.659 -4.517 1.00 0.00 H new ATOM 681 N ASP A 44 9.611 -14.381 -6.260 1.00 0.00 N ATOM 682 CA ASP A 44 10.300 -13.470 -7.168 1.00 0.00 C ATOM 683 C ASP A 44 9.594 -13.422 -8.519 1.00 0.00 C ATOM 684 O ASP A 44 9.719 -14.341 -9.328 1.00 0.00 O ATOM 685 CB ASP A 44 11.748 -13.922 -7.364 1.00 0.00 C ATOM 686 CG ASP A 44 12.428 -13.051 -8.415 1.00 0.00 C ATOM 687 OD1 ASP A 44 12.488 -11.850 -8.211 1.00 0.00 O ATOM 688 OD2 ASP A 44 12.878 -13.597 -9.408 1.00 0.00 O ATOM 0 H ASP A 44 9.880 -15.360 -6.355 1.00 0.00 H new ATOM 0 HA ASP A 44 10.287 -12.473 -6.728 1.00 0.00 H new ATOM 0 HB2 ASP A 44 12.289 -13.857 -6.420 1.00 0.00 H new ATOM 0 HB3 ASP A 44 11.773 -14.967 -7.674 1.00 0.00 H new ATOM 693 N GLY A 45 8.854 -12.344 -8.758 1.00 0.00 N ATOM 694 CA GLY A 45 8.135 -12.188 -10.016 1.00 0.00 C ATOM 695 C GLY A 45 6.922 -11.280 -9.844 1.00 0.00 C ATOM 696 O GLY A 45 6.394 -10.741 -10.818 1.00 0.00 O ATOM 0 H GLY A 45 8.737 -11.571 -8.102 1.00 0.00 H new ATOM 0 HA2 GLY A 45 8.802 -11.771 -10.771 1.00 0.00 H new ATOM 0 HA3 GLY A 45 7.814 -13.164 -10.379 1.00 0.00 H new ATOM 700 N LEU A 46 6.482 -11.115 -8.600 1.00 0.00 N ATOM 701 CA LEU A 46 5.327 -10.269 -8.315 1.00 0.00 C ATOM 702 C LEU A 46 5.645 -8.808 -8.615 1.00 0.00 C ATOM 703 O LEU A 46 6.777 -8.359 -8.436 1.00 0.00 O ATOM 704 CB LEU A 46 4.922 -10.417 -6.848 1.00 0.00 C ATOM 705 CG LEU A 46 4.067 -11.675 -6.680 1.00 0.00 C ATOM 706 CD1 LEU A 46 2.694 -11.452 -7.320 1.00 0.00 C ATOM 707 CD2 LEU A 46 4.762 -12.856 -7.361 1.00 0.00 C ATOM 0 H LEU A 46 6.903 -11.551 -7.780 1.00 0.00 H new ATOM 0 HA LEU A 46 4.501 -10.585 -8.952 1.00 0.00 H new ATOM 0 HB2 LEU A 46 5.810 -10.481 -6.219 1.00 0.00 H new ATOM 0 HB3 LEU A 46 4.364 -9.539 -6.523 1.00 0.00 H new ATOM 0 HG LEU A 46 3.940 -11.889 -5.619 1.00 0.00 H new ATOM 0 HD11 LEU A 46 2.086 -12.349 -7.199 1.00 0.00 H new ATOM 0 HD12 LEU A 46 2.199 -10.610 -6.835 1.00 0.00 H new ATOM 0 HD13 LEU A 46 2.818 -11.238 -8.382 1.00 0.00 H new ATOM 0 HD21 LEU A 46 4.155 -13.753 -7.242 1.00 0.00 H new ATOM 0 HD22 LEU A 46 4.889 -12.641 -8.422 1.00 0.00 H new ATOM 0 HD23 LEU A 46 5.739 -13.016 -6.904 1.00 0.00 H new ATOM 719 N THR A 47 4.638 -8.071 -9.075 1.00 0.00 N ATOM 720 CA THR A 47 4.819 -6.660 -9.400 1.00 0.00 C ATOM 721 C THR A 47 4.599 -5.787 -8.167 1.00 0.00 C ATOM 722 O THR A 47 5.488 -5.038 -7.760 1.00 0.00 O ATOM 723 CB THR A 47 3.839 -6.249 -10.502 1.00 0.00 C ATOM 724 OG1 THR A 47 2.879 -7.279 -10.687 1.00 0.00 O ATOM 725 CG2 THR A 47 4.602 -6.018 -11.808 1.00 0.00 C ATOM 0 H THR A 47 3.694 -8.425 -9.230 1.00 0.00 H new ATOM 0 HA THR A 47 5.842 -6.517 -9.750 1.00 0.00 H new ATOM 0 HB THR A 47 3.333 -5.328 -10.213 1.00 0.00 H new ATOM 0 HG1 THR A 47 2.019 -6.883 -10.939 1.00 0.00 H new ATOM 0 HG21 THR A 47 3.903 -5.726 -12.591 1.00 0.00 H new ATOM 0 HG22 THR A 47 5.338 -5.227 -11.664 1.00 0.00 H new ATOM 0 HG23 THR A 47 5.110 -6.937 -12.100 1.00 0.00 H new ATOM 733 N PRO A 48 3.437 -5.866 -7.574 1.00 0.00 N ATOM 734 CA PRO A 48 3.095 -5.062 -6.365 1.00 0.00 C ATOM 735 C PRO A 48 3.881 -5.509 -5.135 1.00 0.00 C ATOM 736 O PRO A 48 4.936 -6.132 -5.255 1.00 0.00 O ATOM 737 CB PRO A 48 1.596 -5.299 -6.174 1.00 0.00 C ATOM 738 CG PRO A 48 1.304 -6.594 -6.858 1.00 0.00 C ATOM 739 CD PRO A 48 2.322 -6.731 -7.990 1.00 0.00 C ATOM 0 HA PRO A 48 3.347 -4.009 -6.493 1.00 0.00 H new ATOM 0 HB2 PRO A 48 1.339 -5.348 -5.116 1.00 0.00 H new ATOM 0 HB3 PRO A 48 1.012 -4.487 -6.607 1.00 0.00 H new ATOM 0 HG2 PRO A 48 1.386 -7.427 -6.160 1.00 0.00 H new ATOM 0 HG3 PRO A 48 0.287 -6.605 -7.249 1.00 0.00 H new ATOM 0 HD2 PRO A 48 2.644 -7.765 -8.114 1.00 0.00 H new ATOM 0 HD3 PRO A 48 1.903 -6.411 -8.944 1.00 0.00 H new ATOM 747 N ASP A 49 3.363 -5.184 -3.955 1.00 0.00 N ATOM 748 CA ASP A 49 4.031 -5.557 -2.713 1.00 0.00 C ATOM 749 C ASP A 49 3.541 -6.915 -2.222 1.00 0.00 C ATOM 750 O ASP A 49 4.324 -7.858 -2.103 1.00 0.00 O ATOM 751 CB ASP A 49 3.774 -4.498 -1.638 1.00 0.00 C ATOM 752 CG ASP A 49 4.291 -3.142 -2.108 1.00 0.00 C ATOM 753 OD1 ASP A 49 4.073 -2.815 -3.262 1.00 0.00 O ATOM 754 OD2 ASP A 49 4.898 -2.453 -1.306 1.00 0.00 O ATOM 0 H ASP A 49 2.492 -4.668 -3.832 1.00 0.00 H new ATOM 0 HA ASP A 49 5.101 -5.621 -2.908 1.00 0.00 H new ATOM 0 HB2 ASP A 49 2.707 -4.436 -1.425 1.00 0.00 H new ATOM 0 HB3 ASP A 49 4.268 -4.783 -0.709 1.00 0.00 H new ATOM 759 N PHE A 50 2.246 -7.012 -1.933 1.00 0.00 N ATOM 760 CA PHE A 50 1.678 -8.267 -1.453 1.00 0.00 C ATOM 761 C PHE A 50 0.559 -8.744 -2.373 1.00 0.00 C ATOM 762 O PHE A 50 -0.004 -7.962 -3.140 1.00 0.00 O ATOM 763 CB PHE A 50 1.136 -8.087 -0.035 1.00 0.00 C ATOM 764 CG PHE A 50 2.220 -7.516 0.847 1.00 0.00 C ATOM 765 CD1 PHE A 50 3.292 -8.321 1.252 1.00 0.00 C ATOM 766 CD2 PHE A 50 2.154 -6.179 1.260 1.00 0.00 C ATOM 767 CE1 PHE A 50 4.298 -7.789 2.067 1.00 0.00 C ATOM 768 CE2 PHE A 50 3.161 -5.648 2.076 1.00 0.00 C ATOM 769 CZ PHE A 50 4.232 -6.454 2.480 1.00 0.00 C ATOM 0 H PHE A 50 1.578 -6.247 -2.021 1.00 0.00 H new ATOM 0 HA PHE A 50 2.467 -9.019 -1.448 1.00 0.00 H new ATOM 0 HB2 PHE A 50 0.272 -7.422 -0.046 1.00 0.00 H new ATOM 0 HB3 PHE A 50 0.796 -9.044 0.361 1.00 0.00 H new ATOM 0 HD1 PHE A 50 3.343 -9.352 0.935 1.00 0.00 H new ATOM 0 HD2 PHE A 50 1.327 -5.558 0.949 1.00 0.00 H new ATOM 0 HE1 PHE A 50 5.126 -8.410 2.377 1.00 0.00 H new ATOM 0 HE2 PHE A 50 3.111 -4.617 2.393 1.00 0.00 H new ATOM 0 HZ PHE A 50 5.008 -6.045 3.111 1.00 0.00 H new ATOM 779 N TYR A 51 0.243 -10.033 -2.291 1.00 0.00 N ATOM 780 CA TYR A 51 -0.809 -10.608 -3.120 1.00 0.00 C ATOM 781 C TYR A 51 -1.607 -11.643 -2.331 1.00 0.00 C ATOM 782 O TYR A 51 -1.163 -12.777 -2.152 1.00 0.00 O ATOM 783 CB TYR A 51 -0.192 -11.271 -4.357 1.00 0.00 C ATOM 784 CG TYR A 51 -0.791 -10.675 -5.610 1.00 0.00 C ATOM 785 CD1 TYR A 51 -2.106 -10.984 -5.973 1.00 0.00 C ATOM 786 CD2 TYR A 51 -0.027 -9.815 -6.409 1.00 0.00 C ATOM 787 CE1 TYR A 51 -2.660 -10.431 -7.134 1.00 0.00 C ATOM 788 CE2 TYR A 51 -0.581 -9.263 -7.571 1.00 0.00 C ATOM 789 CZ TYR A 51 -1.897 -9.572 -7.933 1.00 0.00 C ATOM 790 OH TYR A 51 -2.442 -9.029 -9.079 1.00 0.00 O ATOM 0 H TYR A 51 0.698 -10.695 -1.662 1.00 0.00 H new ATOM 0 HA TYR A 51 -1.481 -9.808 -3.431 1.00 0.00 H new ATOM 0 HB2 TYR A 51 0.889 -11.129 -4.356 1.00 0.00 H new ATOM 0 HB3 TYR A 51 -0.372 -12.346 -4.333 1.00 0.00 H new ATOM 0 HD1 TYR A 51 -2.694 -11.649 -5.358 1.00 0.00 H new ATOM 0 HD2 TYR A 51 0.989 -9.578 -6.129 1.00 0.00 H new ATOM 0 HE1 TYR A 51 -3.676 -10.667 -7.413 1.00 0.00 H new ATOM 0 HE2 TYR A 51 0.007 -8.599 -8.187 1.00 0.00 H new ATOM 0 HH TYR A 51 -1.779 -8.455 -9.516 1.00 0.00 H new ATOM 800 N LEU A 52 -2.786 -11.245 -1.864 1.00 0.00 N ATOM 801 CA LEU A 52 -3.635 -12.150 -1.096 1.00 0.00 C ATOM 802 C LEU A 52 -4.333 -13.141 -2.022 1.00 0.00 C ATOM 803 O LEU A 52 -4.485 -14.316 -1.686 1.00 0.00 O ATOM 804 CB LEU A 52 -4.684 -11.351 -0.318 1.00 0.00 C ATOM 805 CG LEU A 52 -4.148 -11.028 1.078 1.00 0.00 C ATOM 806 CD1 LEU A 52 -2.973 -10.055 0.962 1.00 0.00 C ATOM 807 CD2 LEU A 52 -5.259 -10.385 1.913 1.00 0.00 C ATOM 0 H LEU A 52 -3.173 -10.311 -2.002 1.00 0.00 H new ATOM 0 HA LEU A 52 -3.007 -12.701 -0.396 1.00 0.00 H new ATOM 0 HB2 LEU A 52 -4.923 -10.430 -0.850 1.00 0.00 H new ATOM 0 HB3 LEU A 52 -5.609 -11.923 -0.241 1.00 0.00 H new ATOM 0 HG LEU A 52 -3.813 -11.947 1.560 1.00 0.00 H new ATOM 0 HD11 LEU A 52 -2.591 -9.825 1.957 1.00 0.00 H new ATOM 0 HD12 LEU A 52 -2.182 -10.510 0.366 1.00 0.00 H new ATOM 0 HD13 LEU A 52 -3.308 -9.136 0.481 1.00 0.00 H new ATOM 0 HD21 LEU A 52 -4.879 -10.154 2.908 1.00 0.00 H new ATOM 0 HD22 LEU A 52 -5.592 -9.467 1.430 1.00 0.00 H new ATOM 0 HD23 LEU A 52 -6.098 -11.076 1.996 1.00 0.00 H new ATOM 819 N SER A 53 -4.754 -12.660 -3.186 1.00 0.00 N ATOM 820 CA SER A 53 -5.436 -13.512 -4.153 1.00 0.00 C ATOM 821 C SER A 53 -5.555 -12.803 -5.498 1.00 0.00 C ATOM 822 O SER A 53 -5.175 -11.641 -5.634 1.00 0.00 O ATOM 823 CB SER A 53 -6.829 -13.875 -3.640 1.00 0.00 C ATOM 824 OG SER A 53 -7.578 -14.468 -4.694 1.00 0.00 O ATOM 0 H SER A 53 -4.636 -11.691 -3.482 1.00 0.00 H new ATOM 0 HA SER A 53 -4.851 -14.422 -4.284 1.00 0.00 H new ATOM 0 HB2 SER A 53 -6.751 -14.566 -2.800 1.00 0.00 H new ATOM 0 HB3 SER A 53 -7.338 -12.984 -3.274 1.00 0.00 H new ATOM 0 HG SER A 53 -8.472 -14.704 -4.368 1.00 0.00 H new ATOM 830 N ASN A 54 -6.087 -13.510 -6.490 1.00 0.00 N ATOM 831 CA ASN A 54 -6.252 -12.935 -7.820 1.00 0.00 C ATOM 832 C ASN A 54 -7.446 -11.986 -7.846 1.00 0.00 C ATOM 833 O ASN A 54 -8.304 -12.075 -8.724 1.00 0.00 O ATOM 834 CB ASN A 54 -6.461 -14.048 -8.849 1.00 0.00 C ATOM 835 CG ASN A 54 -5.326 -15.062 -8.761 1.00 0.00 C ATOM 836 OD1 ASN A 54 -4.319 -14.930 -9.456 1.00 0.00 O ATOM 837 ND2 ASN A 54 -5.428 -16.074 -7.943 1.00 0.00 N ATOM 0 H ASN A 54 -6.409 -14.474 -6.400 1.00 0.00 H new ATOM 0 HA ASN A 54 -5.350 -12.376 -8.069 1.00 0.00 H new ATOM 0 HB2 ASN A 54 -7.416 -14.543 -8.672 1.00 0.00 H new ATOM 0 HB3 ASN A 54 -6.503 -13.624 -9.852 1.00 0.00 H new ATOM 0 HD21 ASN A 54 -4.673 -16.756 -7.879 1.00 0.00 H new ATOM 0 HD22 ASN A 54 -6.263 -16.182 -7.367 1.00 0.00 H new ATOM 844 N ARG A 55 -7.494 -11.079 -6.876 1.00 0.00 N ATOM 845 CA ARG A 55 -8.589 -10.118 -6.796 1.00 0.00 C ATOM 846 C ARG A 55 -8.199 -8.932 -5.920 1.00 0.00 C ATOM 847 O ARG A 55 -8.563 -7.791 -6.206 1.00 0.00 O ATOM 848 CB ARG A 55 -9.831 -10.796 -6.216 1.00 0.00 C ATOM 849 CG ARG A 55 -9.463 -11.502 -4.910 1.00 0.00 C ATOM 850 CD ARG A 55 -10.575 -12.480 -4.527 1.00 0.00 C ATOM 851 NE ARG A 55 -10.363 -12.978 -3.172 1.00 0.00 N ATOM 852 CZ ARG A 55 -11.182 -13.876 -2.634 1.00 0.00 C ATOM 853 NH1 ARG A 55 -12.205 -14.316 -3.313 1.00 0.00 N ATOM 854 NH2 ARG A 55 -10.963 -14.315 -1.425 1.00 0.00 N ATOM 0 H ARG A 55 -6.794 -10.989 -6.140 1.00 0.00 H new ATOM 0 HA ARG A 55 -8.806 -9.755 -7.801 1.00 0.00 H new ATOM 0 HB2 ARG A 55 -10.611 -10.057 -6.035 1.00 0.00 H new ATOM 0 HB3 ARG A 55 -10.233 -11.515 -6.930 1.00 0.00 H new ATOM 0 HG2 ARG A 55 -8.519 -12.035 -5.026 1.00 0.00 H new ATOM 0 HG3 ARG A 55 -9.320 -10.769 -4.116 1.00 0.00 H new ATOM 0 HD2 ARG A 55 -11.544 -11.985 -4.593 1.00 0.00 H new ATOM 0 HD3 ARG A 55 -10.595 -13.313 -5.230 1.00 0.00 H new ATOM 0 HE ARG A 55 -9.573 -12.631 -2.628 1.00 0.00 H new ATOM 0 HH11 ARG A 55 -12.377 -13.971 -4.257 1.00 0.00 H new ATOM 0 HH12 ARG A 55 -12.833 -15.005 -2.900 1.00 0.00 H new ATOM 0 HH21 ARG A 55 -10.164 -13.969 -0.894 1.00 0.00 H new ATOM 0 HH22 ARG A 55 -11.591 -15.004 -1.011 1.00 0.00 H new ATOM 868 N CYS A 56 -7.462 -9.209 -4.849 1.00 0.00 N ATOM 869 CA CYS A 56 -7.033 -8.156 -3.937 1.00 0.00 C ATOM 870 C CYS A 56 -5.511 -8.094 -3.857 1.00 0.00 C ATOM 871 O CYS A 56 -4.833 -9.122 -3.891 1.00 0.00 O ATOM 872 CB CYS A 56 -7.607 -8.409 -2.542 1.00 0.00 C ATOM 873 SG CYS A 56 -6.779 -7.335 -1.344 1.00 0.00 S ATOM 0 H CYS A 56 -7.152 -10.146 -4.593 1.00 0.00 H new ATOM 0 HA CYS A 56 -7.402 -7.204 -4.318 1.00 0.00 H new ATOM 0 HB2 CYS A 56 -8.680 -8.216 -2.538 1.00 0.00 H new ATOM 0 HB3 CYS A 56 -7.470 -9.454 -2.265 1.00 0.00 H new ATOM 0 HG CYS A 56 -7.268 -7.549 -0.159 1.00 0.00 H new ATOM 879 N CYS A 57 -4.983 -6.879 -3.749 1.00 0.00 N ATOM 880 CA CYS A 57 -3.541 -6.681 -3.661 1.00 0.00 C ATOM 881 C CYS A 57 -3.235 -5.421 -2.856 1.00 0.00 C ATOM 882 O CYS A 57 -4.121 -4.606 -2.608 1.00 0.00 O ATOM 883 CB CYS A 57 -2.944 -6.565 -5.068 1.00 0.00 C ATOM 884 SG CYS A 57 -1.618 -5.331 -5.078 1.00 0.00 S ATOM 0 H CYS A 57 -5.531 -6.019 -3.720 1.00 0.00 H new ATOM 0 HA CYS A 57 -3.094 -7.538 -3.156 1.00 0.00 H new ATOM 0 HB2 CYS A 57 -2.555 -7.532 -5.388 1.00 0.00 H new ATOM 0 HB3 CYS A 57 -3.720 -6.283 -5.779 1.00 0.00 H new ATOM 0 HG CYS A 57 -1.117 -5.242 -6.274 1.00 0.00 H new ATOM 890 N ILE A 58 -1.980 -5.265 -2.446 1.00 0.00 N ATOM 891 CA ILE A 58 -1.593 -4.095 -1.670 1.00 0.00 C ATOM 892 C ILE A 58 -0.254 -3.547 -2.150 1.00 0.00 C ATOM 893 O ILE A 58 0.708 -4.294 -2.317 1.00 0.00 O ATOM 894 CB ILE A 58 -1.500 -4.460 -0.188 1.00 0.00 C ATOM 895 CG1 ILE A 58 -2.863 -4.959 0.297 1.00 0.00 C ATOM 896 CG2 ILE A 58 -1.097 -3.224 0.620 1.00 0.00 C ATOM 897 CD1 ILE A 58 -2.702 -5.657 1.649 1.00 0.00 C ATOM 0 H ILE A 58 -1.225 -5.924 -2.635 1.00 0.00 H new ATOM 0 HA ILE A 58 -2.352 -3.325 -1.807 1.00 0.00 H new ATOM 0 HB ILE A 58 -0.753 -5.242 -0.053 1.00 0.00 H new ATOM 0 HG12 ILE A 58 -3.556 -4.123 0.388 1.00 0.00 H new ATOM 0 HG13 ILE A 58 -3.289 -5.649 -0.431 1.00 0.00 H new ATOM 0 HG21 ILE A 58 -1.031 -3.485 1.676 1.00 0.00 H new ATOM 0 HG22 ILE A 58 -0.128 -2.863 0.274 1.00 0.00 H new ATOM 0 HG23 ILE A 58 -1.844 -2.442 0.486 1.00 0.00 H new ATOM 0 HD11 ILE A 58 -3.673 -6.012 1.993 1.00 0.00 H new ATOM 0 HD12 ILE A 58 -2.023 -6.503 1.543 1.00 0.00 H new ATOM 0 HD13 ILE A 58 -2.294 -4.954 2.375 1.00 0.00 H new ATOM 909 N LEU A 59 -0.205 -2.238 -2.369 1.00 0.00 N ATOM 910 CA LEU A 59 1.021 -1.594 -2.829 1.00 0.00 C ATOM 911 C LEU A 59 1.497 -0.572 -1.801 1.00 0.00 C ATOM 912 O LEU A 59 0.737 0.300 -1.381 1.00 0.00 O ATOM 913 CB LEU A 59 0.777 -0.901 -4.171 1.00 0.00 C ATOM 914 CG LEU A 59 1.894 -1.272 -5.150 1.00 0.00 C ATOM 915 CD1 LEU A 59 1.506 -0.827 -6.561 1.00 0.00 C ATOM 916 CD2 LEU A 59 3.188 -0.572 -4.733 1.00 0.00 C ATOM 0 H LEU A 59 -0.994 -1.605 -2.237 1.00 0.00 H new ATOM 0 HA LEU A 59 1.790 -2.356 -2.954 1.00 0.00 H new ATOM 0 HB2 LEU A 59 -0.190 -1.200 -4.576 1.00 0.00 H new ATOM 0 HB3 LEU A 59 0.744 0.180 -4.033 1.00 0.00 H new ATOM 0 HG LEU A 59 2.043 -2.352 -5.139 1.00 0.00 H new ATOM 0 HD11 LEU A 59 2.302 -1.091 -7.258 1.00 0.00 H new ATOM 0 HD12 LEU A 59 0.583 -1.325 -6.859 1.00 0.00 H new ATOM 0 HD13 LEU A 59 1.356 0.253 -6.574 1.00 0.00 H new ATOM 0 HD21 LEU A 59 3.985 -0.835 -5.429 1.00 0.00 H new ATOM 0 HD22 LEU A 59 3.038 0.508 -4.745 1.00 0.00 H new ATOM 0 HD23 LEU A 59 3.465 -0.889 -3.728 1.00 0.00 H new ATOM 928 N TYR A 60 2.756 -0.691 -1.393 1.00 0.00 N ATOM 929 CA TYR A 60 3.317 0.223 -0.406 1.00 0.00 C ATOM 930 C TYR A 60 3.955 1.434 -1.082 1.00 0.00 C ATOM 931 O TYR A 60 4.759 1.294 -2.003 1.00 0.00 O ATOM 932 CB TYR A 60 4.368 -0.504 0.436 1.00 0.00 C ATOM 933 CG TYR A 60 4.574 0.241 1.732 1.00 0.00 C ATOM 934 CD1 TYR A 60 3.752 -0.029 2.833 1.00 0.00 C ATOM 935 CD2 TYR A 60 5.586 1.202 1.834 1.00 0.00 C ATOM 936 CE1 TYR A 60 3.942 0.663 4.035 1.00 0.00 C ATOM 937 CE2 TYR A 60 5.777 1.894 3.036 1.00 0.00 C ATOM 938 CZ TYR A 60 4.956 1.624 4.137 1.00 0.00 C ATOM 939 OH TYR A 60 5.143 2.305 5.321 1.00 0.00 O ATOM 0 H TYR A 60 3.402 -1.406 -1.728 1.00 0.00 H new ATOM 0 HA TYR A 60 2.507 0.571 0.235 1.00 0.00 H new ATOM 0 HB2 TYR A 60 4.045 -1.525 0.638 1.00 0.00 H new ATOM 0 HB3 TYR A 60 5.308 -0.569 -0.112 1.00 0.00 H new ATOM 0 HD1 TYR A 60 2.971 -0.771 2.755 1.00 0.00 H new ATOM 0 HD2 TYR A 60 6.220 1.410 0.985 1.00 0.00 H new ATOM 0 HE1 TYR A 60 3.307 0.456 4.884 1.00 0.00 H new ATOM 0 HE2 TYR A 60 6.558 2.636 3.114 1.00 0.00 H new ATOM 0 HH TYR A 60 6.057 2.657 5.355 1.00 0.00 H new ATOM 949 N VAL A 61 3.592 2.623 -0.608 1.00 0.00 N ATOM 950 CA VAL A 61 4.135 3.859 -1.160 1.00 0.00 C ATOM 951 C VAL A 61 4.723 4.720 -0.046 1.00 0.00 C ATOM 952 O VAL A 61 4.229 4.709 1.082 1.00 0.00 O ATOM 953 CB VAL A 61 3.034 4.637 -1.885 1.00 0.00 C ATOM 954 CG1 VAL A 61 3.504 6.069 -2.144 1.00 0.00 C ATOM 955 CG2 VAL A 61 2.722 3.954 -3.219 1.00 0.00 C ATOM 0 H VAL A 61 2.927 2.756 0.154 1.00 0.00 H new ATOM 0 HA VAL A 61 4.924 3.608 -1.869 1.00 0.00 H new ATOM 0 HB VAL A 61 2.137 4.657 -1.266 1.00 0.00 H new ATOM 0 HG11 VAL A 61 2.719 6.622 -2.660 1.00 0.00 H new ATOM 0 HG12 VAL A 61 3.727 6.556 -1.195 1.00 0.00 H new ATOM 0 HG13 VAL A 61 4.402 6.051 -2.762 1.00 0.00 H new ATOM 0 HG21 VAL A 61 1.938 4.507 -3.736 1.00 0.00 H new ATOM 0 HG22 VAL A 61 3.620 3.934 -3.836 1.00 0.00 H new ATOM 0 HG23 VAL A 61 2.385 2.934 -3.035 1.00 0.00 H new ATOM 965 N THR A 62 5.781 5.459 -0.364 1.00 0.00 N ATOM 966 CA THR A 62 6.424 6.314 0.629 1.00 0.00 C ATOM 967 C THR A 62 6.601 7.732 0.095 1.00 0.00 C ATOM 968 O THR A 62 6.690 7.946 -1.113 1.00 0.00 O ATOM 969 CB THR A 62 7.789 5.734 1.005 1.00 0.00 C ATOM 970 OG1 THR A 62 8.516 6.693 1.760 1.00 0.00 O ATOM 971 CG2 THR A 62 8.565 5.388 -0.266 1.00 0.00 C ATOM 0 H THR A 62 6.208 5.484 -1.290 1.00 0.00 H new ATOM 0 HA THR A 62 5.786 6.354 1.512 1.00 0.00 H new ATOM 0 HB THR A 62 7.650 4.831 1.600 1.00 0.00 H new ATOM 0 HG1 THR A 62 9.390 6.323 2.004 1.00 0.00 H new ATOM 0 HG21 THR A 62 9.537 4.975 0.002 1.00 0.00 H new ATOM 0 HG22 THR A 62 8.006 4.653 -0.845 1.00 0.00 H new ATOM 0 HG23 THR A 62 8.706 6.289 -0.863 1.00 0.00 H new ATOM 979 N GLU A 63 6.652 8.697 1.008 1.00 0.00 N ATOM 980 CA GLU A 63 6.821 10.094 0.622 1.00 0.00 C ATOM 981 C GLU A 63 7.847 10.221 -0.500 1.00 0.00 C ATOM 982 O GLU A 63 7.633 10.950 -1.469 1.00 0.00 O ATOM 983 CB GLU A 63 7.280 10.918 1.828 1.00 0.00 C ATOM 984 CG GLU A 63 7.212 12.407 1.484 1.00 0.00 C ATOM 985 CD GLU A 63 8.618 12.952 1.248 1.00 0.00 C ATOM 986 OE1 GLU A 63 9.420 12.236 0.673 1.00 0.00 O ATOM 987 OE2 GLU A 63 8.870 14.077 1.646 1.00 0.00 O ATOM 0 H GLU A 63 6.579 8.539 2.013 1.00 0.00 H new ATOM 0 HA GLU A 63 5.862 10.470 0.267 1.00 0.00 H new ATOM 0 HB2 GLU A 63 6.648 10.704 2.690 1.00 0.00 H new ATOM 0 HB3 GLU A 63 8.298 10.644 2.103 1.00 0.00 H new ATOM 0 HG2 GLU A 63 6.601 12.556 0.594 1.00 0.00 H new ATOM 0 HG3 GLU A 63 6.732 12.955 2.295 1.00 0.00 H new ATOM 994 N ALA A 64 8.960 9.508 -0.361 1.00 0.00 N ATOM 995 CA ALA A 64 10.013 9.548 -1.369 1.00 0.00 C ATOM 996 C ALA A 64 9.428 9.356 -2.764 1.00 0.00 C ATOM 997 O ALA A 64 9.960 9.872 -3.747 1.00 0.00 O ATOM 998 CB ALA A 64 11.045 8.453 -1.091 1.00 0.00 C ATOM 0 H ALA A 64 9.155 8.900 0.434 1.00 0.00 H new ATOM 0 HA ALA A 64 10.497 10.523 -1.322 1.00 0.00 H new ATOM 0 HB1 ALA A 64 11.828 8.490 -1.849 1.00 0.00 H new ATOM 0 HB2 ALA A 64 11.485 8.610 -0.106 1.00 0.00 H new ATOM 0 HB3 ALA A 64 10.558 7.478 -1.120 1.00 0.00 H new ATOM 1004 N ASP A 65 8.330 8.611 -2.843 1.00 0.00 N ATOM 1005 CA ASP A 65 7.681 8.357 -4.124 1.00 0.00 C ATOM 1006 C ASP A 65 6.813 9.545 -4.529 1.00 0.00 C ATOM 1007 O ASP A 65 6.646 9.828 -5.715 1.00 0.00 O ATOM 1008 CB ASP A 65 6.816 7.098 -4.031 1.00 0.00 C ATOM 1009 CG ASP A 65 7.447 5.972 -4.841 1.00 0.00 C ATOM 1010 OD1 ASP A 65 8.662 5.865 -4.827 1.00 0.00 O ATOM 1011 OD2 ASP A 65 6.705 5.229 -5.465 1.00 0.00 O ATOM 0 H ASP A 65 7.874 8.175 -2.041 1.00 0.00 H new ATOM 0 HA ASP A 65 8.453 8.211 -4.879 1.00 0.00 H new ATOM 0 HB2 ASP A 65 6.712 6.794 -2.989 1.00 0.00 H new ATOM 0 HB3 ASP A 65 5.813 7.307 -4.403 1.00 0.00 H new ATOM 1016 N LEU A 66 6.265 10.240 -3.537 1.00 0.00 N ATOM 1017 CA LEU A 66 5.418 11.394 -3.807 1.00 0.00 C ATOM 1018 C LEU A 66 6.226 12.500 -4.477 1.00 0.00 C ATOM 1019 O LEU A 66 5.765 13.130 -5.429 1.00 0.00 O ATOM 1020 CB LEU A 66 4.809 11.918 -2.502 1.00 0.00 C ATOM 1021 CG LEU A 66 4.439 13.398 -2.662 1.00 0.00 C ATOM 1022 CD1 LEU A 66 3.222 13.721 -1.793 1.00 0.00 C ATOM 1023 CD2 LEU A 66 5.618 14.278 -2.230 1.00 0.00 C ATOM 0 H LEU A 66 6.391 10.026 -2.548 1.00 0.00 H new ATOM 0 HA LEU A 66 4.616 11.085 -4.478 1.00 0.00 H new ATOM 0 HB2 LEU A 66 3.923 11.338 -2.244 1.00 0.00 H new ATOM 0 HB3 LEU A 66 5.519 11.797 -1.684 1.00 0.00 H new ATOM 0 HG LEU A 66 4.204 13.595 -3.708 1.00 0.00 H new ATOM 0 HD11 LEU A 66 2.961 14.773 -1.909 1.00 0.00 H new ATOM 0 HD12 LEU A 66 2.380 13.102 -2.102 1.00 0.00 H new ATOM 0 HD13 LEU A 66 3.457 13.518 -0.748 1.00 0.00 H new ATOM 0 HD21 LEU A 66 5.350 15.328 -2.346 1.00 0.00 H new ATOM 0 HD22 LEU A 66 5.858 14.078 -1.186 1.00 0.00 H new ATOM 0 HD23 LEU A 66 6.485 14.055 -2.851 1.00 0.00 H new ATOM 1035 N VAL A 67 7.432 12.731 -3.972 1.00 0.00 N ATOM 1036 CA VAL A 67 8.296 13.765 -4.529 1.00 0.00 C ATOM 1037 C VAL A 67 8.320 13.681 -6.053 1.00 0.00 C ATOM 1038 O VAL A 67 8.447 14.696 -6.738 1.00 0.00 O ATOM 1039 CB VAL A 67 9.716 13.611 -3.977 1.00 0.00 C ATOM 1040 CG1 VAL A 67 10.541 12.717 -4.907 1.00 0.00 C ATOM 1041 CG2 VAL A 67 10.374 14.991 -3.879 1.00 0.00 C ATOM 0 H VAL A 67 7.832 12.221 -3.184 1.00 0.00 H new ATOM 0 HA VAL A 67 7.901 14.739 -4.241 1.00 0.00 H new ATOM 0 HB VAL A 67 9.671 13.154 -2.988 1.00 0.00 H new ATOM 0 HG11 VAL A 67 11.550 12.611 -4.509 1.00 0.00 H new ATOM 0 HG12 VAL A 67 10.074 11.735 -4.977 1.00 0.00 H new ATOM 0 HG13 VAL A 67 10.587 13.168 -5.898 1.00 0.00 H new ATOM 0 HG21 VAL A 67 11.385 14.885 -3.486 1.00 0.00 H new ATOM 0 HG22 VAL A 67 10.415 15.446 -4.869 1.00 0.00 H new ATOM 0 HG23 VAL A 67 9.791 15.626 -3.212 1.00 0.00 H new ATOM 1051 N ALA A 68 8.194 12.466 -6.576 1.00 0.00 N ATOM 1052 CA ALA A 68 8.200 12.261 -8.020 1.00 0.00 C ATOM 1053 C ALA A 68 6.785 12.020 -8.535 1.00 0.00 C ATOM 1054 O ALA A 68 6.321 12.703 -9.448 1.00 0.00 O ATOM 1055 CB ALA A 68 9.082 11.063 -8.375 1.00 0.00 C ATOM 0 H ALA A 68 8.087 11.614 -6.026 1.00 0.00 H new ATOM 0 HA ALA A 68 8.599 13.159 -8.491 1.00 0.00 H new ATOM 0 HB1 ALA A 68 9.080 10.917 -9.455 1.00 0.00 H new ATOM 0 HB2 ALA A 68 10.101 11.248 -8.035 1.00 0.00 H new ATOM 0 HB3 ALA A 68 8.694 10.168 -7.888 1.00 0.00 H new ATOM 1061 N GLY A 69 6.105 11.045 -7.942 1.00 0.00 N ATOM 1062 CA GLY A 69 4.743 10.721 -8.350 1.00 0.00 C ATOM 1063 C GLY A 69 4.574 10.883 -9.856 1.00 0.00 C ATOM 1064 O GLY A 69 3.527 11.329 -10.328 1.00 0.00 O ATOM 0 H GLY A 69 6.471 10.469 -7.183 1.00 0.00 H new ATOM 0 HA2 GLY A 69 4.506 9.697 -8.061 1.00 0.00 H new ATOM 0 HA3 GLY A 69 4.039 11.370 -7.829 1.00 0.00 H new ATOM 1068 N ASN A 70 5.608 10.518 -10.607 1.00 0.00 N ATOM 1069 CA ASN A 70 5.561 10.628 -12.060 1.00 0.00 C ATOM 1070 C ASN A 70 5.635 9.249 -12.706 1.00 0.00 C ATOM 1071 O ASN A 70 4.746 8.860 -13.463 1.00 0.00 O ATOM 1072 CB ASN A 70 6.723 11.490 -12.557 1.00 0.00 C ATOM 1073 CG ASN A 70 6.279 12.944 -12.682 1.00 0.00 C ATOM 1074 OD1 ASN A 70 5.366 13.251 -13.449 1.00 0.00 O ATOM 1075 ND2 ASN A 70 6.872 13.861 -11.969 1.00 0.00 N ATOM 0 H ASN A 70 6.483 10.146 -10.237 1.00 0.00 H new ATOM 0 HA ASN A 70 4.617 11.096 -12.339 1.00 0.00 H new ATOM 0 HB2 ASN A 70 7.563 11.416 -11.866 1.00 0.00 H new ATOM 0 HB3 ASN A 70 7.071 11.123 -13.523 1.00 0.00 H new ATOM 0 HD21 ASN A 70 6.580 14.835 -12.046 1.00 0.00 H new ATOM 0 HD22 ASN A 70 7.628 13.604 -11.334 1.00 0.00 H new ATOM 1082 N GLY A 71 6.700 8.514 -12.404 1.00 0.00 N ATOM 1083 CA GLY A 71 6.878 7.179 -12.963 1.00 0.00 C ATOM 1084 C GLY A 71 5.984 6.167 -12.255 1.00 0.00 C ATOM 1085 O GLY A 71 5.439 5.258 -12.883 1.00 0.00 O ATOM 0 H GLY A 71 7.448 8.817 -11.780 1.00 0.00 H new ATOM 0 HA2 GLY A 71 6.646 7.193 -14.028 1.00 0.00 H new ATOM 0 HA3 GLY A 71 7.921 6.877 -12.868 1.00 0.00 H new ATOM 1089 N TYR A 72 5.837 6.331 -10.945 1.00 0.00 N ATOM 1090 CA TYR A 72 5.005 5.427 -10.158 1.00 0.00 C ATOM 1091 C TYR A 72 3.535 5.588 -10.530 1.00 0.00 C ATOM 1092 O TYR A 72 2.730 4.679 -10.329 1.00 0.00 O ATOM 1093 CB TYR A 72 5.191 5.720 -8.668 1.00 0.00 C ATOM 1094 CG TYR A 72 5.225 4.422 -7.897 1.00 0.00 C ATOM 1095 CD1 TYR A 72 6.367 3.614 -7.937 1.00 0.00 C ATOM 1096 CD2 TYR A 72 4.114 4.027 -7.143 1.00 0.00 C ATOM 1097 CE1 TYR A 72 6.399 2.411 -7.223 1.00 0.00 C ATOM 1098 CE2 TYR A 72 4.145 2.823 -6.428 1.00 0.00 C ATOM 1099 CZ TYR A 72 5.289 2.015 -6.468 1.00 0.00 C ATOM 1100 OH TYR A 72 5.320 0.829 -5.764 1.00 0.00 O ATOM 0 H TYR A 72 6.280 7.076 -10.408 1.00 0.00 H new ATOM 0 HA TYR A 72 5.309 4.402 -10.371 1.00 0.00 H new ATOM 0 HB2 TYR A 72 6.116 6.274 -8.509 1.00 0.00 H new ATOM 0 HB3 TYR A 72 4.377 6.348 -8.306 1.00 0.00 H new ATOM 0 HD1 TYR A 72 7.224 3.919 -8.519 1.00 0.00 H new ATOM 0 HD2 TYR A 72 3.233 4.651 -7.112 1.00 0.00 H new ATOM 0 HE1 TYR A 72 7.281 1.788 -7.255 1.00 0.00 H new ATOM 0 HE2 TYR A 72 3.288 2.518 -5.846 1.00 0.00 H new ATOM 0 HH TYR A 72 5.617 0.106 -6.355 1.00 0.00 H new ATOM 1110 N ARG A 73 3.194 6.752 -11.072 1.00 0.00 N ATOM 1111 CA ARG A 73 1.817 7.029 -11.468 1.00 0.00 C ATOM 1112 C ARG A 73 1.350 6.033 -12.526 1.00 0.00 C ATOM 1113 O ARG A 73 0.253 5.483 -12.434 1.00 0.00 O ATOM 1114 CB ARG A 73 1.713 8.451 -12.022 1.00 0.00 C ATOM 1115 CG ARG A 73 0.250 8.776 -12.333 1.00 0.00 C ATOM 1116 CD ARG A 73 0.079 8.987 -13.838 1.00 0.00 C ATOM 1117 NE ARG A 73 0.687 10.250 -14.244 1.00 0.00 N ATOM 1118 CZ ARG A 73 1.044 10.467 -15.505 1.00 0.00 C ATOM 1119 NH1 ARG A 73 0.855 9.541 -16.405 1.00 0.00 N ATOM 1120 NH2 ARG A 73 1.582 11.606 -15.846 1.00 0.00 N ATOM 0 H ARG A 73 3.848 7.515 -11.247 1.00 0.00 H new ATOM 0 HA ARG A 73 1.179 6.931 -10.590 1.00 0.00 H new ATOM 0 HB2 ARG A 73 2.108 9.164 -11.298 1.00 0.00 H new ATOM 0 HB3 ARG A 73 2.317 8.545 -12.925 1.00 0.00 H new ATOM 0 HG2 ARG A 73 -0.393 7.964 -11.994 1.00 0.00 H new ATOM 0 HG3 ARG A 73 -0.057 9.672 -11.793 1.00 0.00 H new ATOM 0 HD2 ARG A 73 0.539 8.162 -14.382 1.00 0.00 H new ATOM 0 HD3 ARG A 73 -0.980 8.986 -14.094 1.00 0.00 H new ATOM 0 HE ARG A 73 0.841 10.979 -13.547 1.00 0.00 H new ATOM 0 HH11 ARG A 73 0.433 8.651 -16.140 1.00 0.00 H new ATOM 0 HH12 ARG A 73 1.129 9.707 -17.373 1.00 0.00 H new ATOM 0 HH21 ARG A 73 1.729 12.331 -15.144 1.00 0.00 H new ATOM 0 HH22 ARG A 73 1.856 11.771 -16.815 1.00 0.00 H new ATOM 1134 N LYS A 74 2.188 5.812 -13.534 1.00 0.00 N ATOM 1135 CA LYS A 74 1.849 4.887 -14.609 1.00 0.00 C ATOM 1136 C LYS A 74 1.823 3.448 -14.102 1.00 0.00 C ATOM 1137 O LYS A 74 1.156 2.589 -14.678 1.00 0.00 O ATOM 1138 CB LYS A 74 2.869 5.009 -15.741 1.00 0.00 C ATOM 1139 CG LYS A 74 2.410 6.083 -16.730 1.00 0.00 C ATOM 1140 CD LYS A 74 3.460 6.245 -17.831 1.00 0.00 C ATOM 1141 CE LYS A 74 3.377 7.658 -18.411 1.00 0.00 C ATOM 1142 NZ LYS A 74 4.413 8.519 -17.771 1.00 0.00 N ATOM 0 H LYS A 74 3.101 6.258 -13.629 1.00 0.00 H new ATOM 0 HA LYS A 74 0.856 5.144 -14.979 1.00 0.00 H new ATOM 0 HB2 LYS A 74 3.848 5.267 -15.336 1.00 0.00 H new ATOM 0 HB3 LYS A 74 2.977 4.052 -16.252 1.00 0.00 H new ATOM 0 HG2 LYS A 74 1.450 5.805 -17.166 1.00 0.00 H new ATOM 0 HG3 LYS A 74 2.262 7.030 -16.212 1.00 0.00 H new ATOM 0 HD2 LYS A 74 4.456 6.064 -17.428 1.00 0.00 H new ATOM 0 HD3 LYS A 74 3.295 5.508 -18.617 1.00 0.00 H new ATOM 0 HE2 LYS A 74 3.528 7.629 -19.490 1.00 0.00 H new ATOM 0 HE3 LYS A 74 2.385 8.076 -18.239 1.00 0.00 H new ATOM 0 HZ1 LYS A 74 4.357 9.480 -18.165 1.00 0.00 H new ATOM 0 HZ2 LYS A 74 4.249 8.555 -16.745 1.00 0.00 H new ATOM 0 HZ3 LYS A 74 5.357 8.123 -17.957 1.00 0.00 H new ATOM 1156 N ARG A 75 2.557 3.190 -13.025 1.00 0.00 N ATOM 1157 CA ARG A 75 2.610 1.848 -12.455 1.00 0.00 C ATOM 1158 C ARG A 75 1.265 1.467 -11.843 1.00 0.00 C ATOM 1159 O ARG A 75 0.727 0.396 -12.121 1.00 0.00 O ATOM 1160 CB ARG A 75 3.699 1.780 -11.380 1.00 0.00 C ATOM 1161 CG ARG A 75 4.865 0.923 -11.881 1.00 0.00 C ATOM 1162 CD ARG A 75 5.505 1.591 -13.098 1.00 0.00 C ATOM 1163 NE ARG A 75 5.192 0.841 -14.309 1.00 0.00 N ATOM 1164 CZ ARG A 75 5.955 0.936 -15.394 1.00 0.00 C ATOM 1165 NH1 ARG A 75 7.007 1.708 -15.386 1.00 0.00 N ATOM 1166 NH2 ARG A 75 5.652 0.256 -16.465 1.00 0.00 N ATOM 0 H ARG A 75 3.119 3.885 -12.533 1.00 0.00 H new ATOM 0 HA ARG A 75 2.842 1.145 -13.255 1.00 0.00 H new ATOM 0 HB2 ARG A 75 4.050 2.784 -11.140 1.00 0.00 H new ATOM 0 HB3 ARG A 75 3.292 1.356 -10.462 1.00 0.00 H new ATOM 0 HG2 ARG A 75 5.605 0.799 -11.090 1.00 0.00 H new ATOM 0 HG3 ARG A 75 4.510 -0.073 -12.145 1.00 0.00 H new ATOM 0 HD2 ARG A 75 5.143 2.615 -13.192 1.00 0.00 H new ATOM 0 HD3 ARG A 75 6.585 1.646 -12.965 1.00 0.00 H new ATOM 0 HE ARG A 75 4.373 0.233 -14.324 1.00 0.00 H new ATOM 0 HH11 ARG A 75 7.244 2.238 -14.548 1.00 0.00 H new ATOM 0 HH12 ARG A 75 7.592 1.781 -16.218 1.00 0.00 H new ATOM 0 HH21 ARG A 75 4.830 -0.348 -16.470 1.00 0.00 H new ATOM 0 HH22 ARG A 75 6.237 0.328 -17.298 1.00 0.00 H new ATOM 1180 N LEU A 76 0.731 2.349 -11.006 1.00 0.00 N ATOM 1181 CA LEU A 76 -0.548 2.096 -10.354 1.00 0.00 C ATOM 1182 C LEU A 76 -1.650 1.864 -11.385 1.00 0.00 C ATOM 1183 O LEU A 76 -2.645 1.197 -11.103 1.00 0.00 O ATOM 1184 CB LEU A 76 -0.924 3.284 -9.466 1.00 0.00 C ATOM 1185 CG LEU A 76 0.130 3.460 -8.372 1.00 0.00 C ATOM 1186 CD1 LEU A 76 0.069 4.889 -7.828 1.00 0.00 C ATOM 1187 CD2 LEU A 76 -0.146 2.472 -7.236 1.00 0.00 C ATOM 0 H LEU A 76 1.161 3.241 -10.764 1.00 0.00 H new ATOM 0 HA LEU A 76 -0.447 1.198 -9.744 1.00 0.00 H new ATOM 0 HB2 LEU A 76 -0.995 4.191 -10.066 1.00 0.00 H new ATOM 0 HB3 LEU A 76 -1.904 3.120 -9.018 1.00 0.00 H new ATOM 0 HG LEU A 76 1.120 3.271 -8.788 1.00 0.00 H new ATOM 0 HD11 LEU A 76 0.820 5.014 -7.048 1.00 0.00 H new ATOM 0 HD12 LEU A 76 0.264 5.594 -8.636 1.00 0.00 H new ATOM 0 HD13 LEU A 76 -0.921 5.078 -7.412 1.00 0.00 H new ATOM 0 HD21 LEU A 76 0.605 2.596 -6.455 1.00 0.00 H new ATOM 0 HD22 LEU A 76 -1.136 2.662 -6.821 1.00 0.00 H new ATOM 0 HD23 LEU A 76 -0.103 1.453 -7.621 1.00 0.00 H new ATOM 1199 N VAL A 77 -1.470 2.423 -12.576 1.00 0.00 N ATOM 1200 CA VAL A 77 -2.461 2.274 -13.637 1.00 0.00 C ATOM 1201 C VAL A 77 -2.428 0.866 -14.223 1.00 0.00 C ATOM 1202 O VAL A 77 -3.470 0.244 -14.426 1.00 0.00 O ATOM 1203 CB VAL A 77 -2.198 3.295 -14.746 1.00 0.00 C ATOM 1204 CG1 VAL A 77 -3.172 3.057 -15.902 1.00 0.00 C ATOM 1205 CG2 VAL A 77 -2.400 4.709 -14.196 1.00 0.00 C ATOM 0 H VAL A 77 -0.654 2.979 -12.831 1.00 0.00 H new ATOM 0 HA VAL A 77 -3.447 2.448 -13.206 1.00 0.00 H new ATOM 0 HB VAL A 77 -1.174 3.185 -15.104 1.00 0.00 H new ATOM 0 HG11 VAL A 77 -2.984 3.785 -16.692 1.00 0.00 H new ATOM 0 HG12 VAL A 77 -3.031 2.050 -16.295 1.00 0.00 H new ATOM 0 HG13 VAL A 77 -4.196 3.166 -15.544 1.00 0.00 H new ATOM 0 HG21 VAL A 77 -2.213 5.437 -14.986 1.00 0.00 H new ATOM 0 HG22 VAL A 77 -3.424 4.817 -13.838 1.00 0.00 H new ATOM 0 HG23 VAL A 77 -1.707 4.881 -13.372 1.00 0.00 H new ATOM 1215 N ARG A 78 -1.225 0.370 -14.499 1.00 0.00 N ATOM 1216 CA ARG A 78 -1.072 -0.965 -15.068 1.00 0.00 C ATOM 1217 C ARG A 78 -2.016 -1.956 -14.390 1.00 0.00 C ATOM 1218 O ARG A 78 -2.721 -2.711 -15.059 1.00 0.00 O ATOM 1219 CB ARG A 78 0.372 -1.442 -14.900 1.00 0.00 C ATOM 1220 CG ARG A 78 0.530 -2.828 -15.529 1.00 0.00 C ATOM 1221 CD ARG A 78 0.668 -3.878 -14.425 1.00 0.00 C ATOM 1222 NE ARG A 78 0.289 -5.193 -14.927 1.00 0.00 N ATOM 1223 CZ ARG A 78 0.060 -6.207 -14.098 1.00 0.00 C ATOM 1224 NH1 ARG A 78 0.178 -6.035 -12.810 1.00 0.00 N ATOM 1225 NH2 ARG A 78 -0.281 -7.375 -14.572 1.00 0.00 N ATOM 0 H ARG A 78 -0.349 0.868 -14.340 1.00 0.00 H new ATOM 0 HA ARG A 78 -1.320 -0.914 -16.128 1.00 0.00 H new ATOM 0 HB2 ARG A 78 1.056 -0.737 -15.372 1.00 0.00 H new ATOM 0 HB3 ARG A 78 0.633 -1.479 -13.842 1.00 0.00 H new ATOM 0 HG2 ARG A 78 -0.333 -3.055 -16.155 1.00 0.00 H new ATOM 0 HG3 ARG A 78 1.407 -2.848 -16.176 1.00 0.00 H new ATOM 0 HD2 ARG A 78 1.696 -3.902 -14.063 1.00 0.00 H new ATOM 0 HD3 ARG A 78 0.038 -3.609 -13.577 1.00 0.00 H new ATOM 0 HE ARG A 78 0.198 -5.338 -15.933 1.00 0.00 H new ATOM 0 HH11 ARG A 78 0.446 -5.123 -12.440 1.00 0.00 H new ATOM 0 HH12 ARG A 78 0.002 -6.812 -12.173 1.00 0.00 H new ATOM 0 HH21 ARG A 78 -0.372 -7.510 -15.579 1.00 0.00 H new ATOM 0 HH22 ARG A 78 -0.456 -8.152 -13.935 1.00 0.00 H new ATOM 1239 N VAL A 79 -2.019 -1.948 -13.062 1.00 0.00 N ATOM 1240 CA VAL A 79 -2.876 -2.854 -12.302 1.00 0.00 C ATOM 1241 C VAL A 79 -4.344 -2.645 -12.662 1.00 0.00 C ATOM 1242 O VAL A 79 -5.154 -3.565 -12.555 1.00 0.00 O ATOM 1243 CB VAL A 79 -2.679 -2.623 -10.804 1.00 0.00 C ATOM 1244 CG1 VAL A 79 -3.812 -3.299 -10.029 1.00 0.00 C ATOM 1245 CG2 VAL A 79 -1.339 -3.220 -10.368 1.00 0.00 C ATOM 0 H VAL A 79 -1.443 -1.330 -12.491 1.00 0.00 H new ATOM 0 HA VAL A 79 -2.598 -3.877 -12.554 1.00 0.00 H new ATOM 0 HB VAL A 79 -2.686 -1.553 -10.599 1.00 0.00 H new ATOM 0 HG11 VAL A 79 -3.671 -3.134 -8.961 1.00 0.00 H new ATOM 0 HG12 VAL A 79 -4.768 -2.876 -10.339 1.00 0.00 H new ATOM 0 HG13 VAL A 79 -3.805 -4.369 -10.235 1.00 0.00 H new ATOM 0 HG21 VAL A 79 -1.198 -3.056 -9.300 1.00 0.00 H new ATOM 0 HG22 VAL A 79 -1.333 -4.290 -10.574 1.00 0.00 H new ATOM 0 HG23 VAL A 79 -0.530 -2.740 -10.919 1.00 0.00 H new ATOM 1255 N ARG A 80 -4.680 -1.431 -13.087 1.00 0.00 N ATOM 1256 CA ARG A 80 -6.056 -1.119 -13.455 1.00 0.00 C ATOM 1257 C ARG A 80 -6.359 -1.614 -14.867 1.00 0.00 C ATOM 1258 O ARG A 80 -7.459 -2.091 -15.144 1.00 0.00 O ATOM 1259 CB ARG A 80 -6.287 0.391 -13.380 1.00 0.00 C ATOM 1260 CG ARG A 80 -7.630 0.670 -12.701 1.00 0.00 C ATOM 1261 CD ARG A 80 -8.763 0.093 -13.549 1.00 0.00 C ATOM 1262 NE ARG A 80 -9.960 0.917 -13.420 1.00 0.00 N ATOM 1263 CZ ARG A 80 -10.681 0.913 -12.304 1.00 0.00 C ATOM 1264 NH1 ARG A 80 -10.327 0.157 -11.301 1.00 0.00 N ATOM 1265 NH2 ARG A 80 -11.744 1.663 -12.211 1.00 0.00 N ATOM 0 H ARG A 80 -4.026 -0.655 -13.184 1.00 0.00 H new ATOM 0 HA ARG A 80 -6.723 -1.623 -12.755 1.00 0.00 H new ATOM 0 HB2 ARG A 80 -5.480 0.866 -12.822 1.00 0.00 H new ATOM 0 HB3 ARG A 80 -6.278 0.821 -14.382 1.00 0.00 H new ATOM 0 HG2 ARG A 80 -7.645 0.226 -11.706 1.00 0.00 H new ATOM 0 HG3 ARG A 80 -7.768 1.744 -12.573 1.00 0.00 H new ATOM 0 HD2 ARG A 80 -8.457 0.045 -14.594 1.00 0.00 H new ATOM 0 HD3 ARG A 80 -8.980 -0.928 -13.233 1.00 0.00 H new ATOM 0 HE ARG A 80 -10.249 1.507 -14.201 1.00 0.00 H new ATOM 0 HH11 ARG A 80 -9.497 -0.431 -11.374 1.00 0.00 H new ATOM 0 HH12 ARG A 80 -10.881 0.154 -10.444 1.00 0.00 H new ATOM 0 HH21 ARG A 80 -12.022 2.253 -12.995 1.00 0.00 H new ATOM 0 HH22 ARG A 80 -12.297 1.660 -11.354 1.00 0.00 H new ATOM 1279 N ASN A 81 -5.377 -1.495 -15.754 1.00 0.00 N ATOM 1280 CA ASN A 81 -5.552 -1.933 -17.134 1.00 0.00 C ATOM 1281 C ASN A 81 -5.791 -3.439 -17.195 1.00 0.00 C ATOM 1282 O ASN A 81 -6.233 -3.966 -18.216 1.00 0.00 O ATOM 1283 CB ASN A 81 -4.312 -1.576 -17.957 1.00 0.00 C ATOM 1284 CG ASN A 81 -4.455 -2.114 -19.376 1.00 0.00 C ATOM 1285 OD1 ASN A 81 -5.460 -1.859 -20.040 1.00 0.00 O ATOM 1286 ND2 ASN A 81 -3.504 -2.849 -19.884 1.00 0.00 N ATOM 0 H ASN A 81 -4.459 -1.102 -15.545 1.00 0.00 H new ATOM 0 HA ASN A 81 -6.422 -1.423 -17.548 1.00 0.00 H new ATOM 0 HB2 ASN A 81 -4.181 -0.494 -17.981 1.00 0.00 H new ATOM 0 HB3 ASN A 81 -3.421 -1.995 -17.488 1.00 0.00 H new ATOM 0 HD21 ASN A 81 -3.592 -3.213 -20.833 1.00 0.00 H new ATOM 0 HD22 ASN A 81 -2.672 -3.059 -19.332 1.00 0.00 H new ATOM 1293 N SER A 82 -5.497 -4.126 -16.096 1.00 0.00 N ATOM 1294 CA SER A 82 -5.686 -5.571 -16.038 1.00 0.00 C ATOM 1295 C SER A 82 -7.148 -5.929 -16.281 1.00 0.00 C ATOM 1296 O SER A 82 -7.662 -5.761 -17.387 1.00 0.00 O ATOM 1297 CB SER A 82 -5.247 -6.102 -14.671 1.00 0.00 C ATOM 1298 OG SER A 82 -6.075 -5.539 -13.662 1.00 0.00 O ATOM 0 H SER A 82 -5.130 -3.710 -15.240 1.00 0.00 H new ATOM 0 HA SER A 82 -5.077 -6.030 -16.817 1.00 0.00 H new ATOM 0 HB2 SER A 82 -5.317 -7.190 -14.651 1.00 0.00 H new ATOM 0 HB3 SER A 82 -4.204 -5.846 -14.486 1.00 0.00 H new ATOM 0 HG SER A 82 -5.893 -4.579 -13.588 1.00 0.00 H new ATOM 1304 N ASN A 83 -7.814 -6.421 -15.241 1.00 0.00 N ATOM 1305 CA ASN A 83 -9.219 -6.797 -15.354 1.00 0.00 C ATOM 1306 C ASN A 83 -10.076 -5.951 -14.419 1.00 0.00 C ATOM 1307 O ASN A 83 -10.871 -5.123 -14.868 1.00 0.00 O ATOM 1308 CB ASN A 83 -9.395 -8.277 -15.008 1.00 0.00 C ATOM 1309 CG ASN A 83 -8.410 -8.677 -13.914 1.00 0.00 C ATOM 1310 OD1 ASN A 83 -8.757 -8.673 -12.733 1.00 0.00 O ATOM 1311 ND2 ASN A 83 -7.195 -9.023 -14.239 1.00 0.00 N ATOM 0 H ASN A 83 -7.407 -6.568 -14.317 1.00 0.00 H new ATOM 0 HA ASN A 83 -9.539 -6.624 -16.381 1.00 0.00 H new ATOM 0 HB2 ASN A 83 -10.416 -8.462 -14.675 1.00 0.00 H new ATOM 0 HB3 ASN A 83 -9.233 -8.888 -15.896 1.00 0.00 H new ATOM 0 HD21 ASN A 83 -6.530 -9.291 -13.514 1.00 0.00 H new ATOM 0 HD22 ASN A 83 -6.910 -9.025 -15.218 1.00 0.00 H new ATOM 1318 N ASN A 84 -9.909 -6.164 -13.119 1.00 0.00 N ATOM 1319 CA ASN A 84 -10.673 -5.418 -12.126 1.00 0.00 C ATOM 1320 C ASN A 84 -10.342 -5.909 -10.721 1.00 0.00 C ATOM 1321 O ASN A 84 -11.204 -6.436 -10.017 1.00 0.00 O ATOM 1322 CB ASN A 84 -12.171 -5.581 -12.389 1.00 0.00 C ATOM 1323 CG ASN A 84 -12.664 -4.463 -13.303 1.00 0.00 C ATOM 1324 OD1 ASN A 84 -12.439 -3.285 -13.021 1.00 0.00 O ATOM 1325 ND2 ASN A 84 -13.328 -4.762 -14.386 1.00 0.00 N ATOM 0 H ASN A 84 -9.255 -6.843 -12.729 1.00 0.00 H new ATOM 0 HA ASN A 84 -10.406 -4.364 -12.203 1.00 0.00 H new ATOM 0 HB2 ASN A 84 -12.365 -6.550 -12.849 1.00 0.00 H new ATOM 0 HB3 ASN A 84 -12.719 -5.560 -11.447 1.00 0.00 H new ATOM 0 HD21 ASN A 84 -13.662 -4.020 -15.001 1.00 0.00 H new ATOM 0 HD22 ASN A 84 -13.513 -5.738 -14.618 1.00 0.00 H new ATOM 1332 N LEU A 85 -9.086 -5.734 -10.320 1.00 0.00 N ATOM 1333 CA LEU A 85 -8.649 -6.165 -8.997 1.00 0.00 C ATOM 1334 C LEU A 85 -8.647 -4.994 -8.021 1.00 0.00 C ATOM 1335 O LEU A 85 -8.156 -3.910 -8.337 1.00 0.00 O ATOM 1336 CB LEU A 85 -7.243 -6.760 -9.080 1.00 0.00 C ATOM 1337 CG LEU A 85 -7.266 -8.010 -9.960 1.00 0.00 C ATOM 1338 CD1 LEU A 85 -6.749 -7.662 -11.357 1.00 0.00 C ATOM 1339 CD2 LEU A 85 -6.371 -9.084 -9.338 1.00 0.00 C ATOM 0 H LEU A 85 -8.358 -5.300 -10.888 1.00 0.00 H new ATOM 0 HA LEU A 85 -9.346 -6.922 -8.637 1.00 0.00 H new ATOM 0 HB2 LEU A 85 -6.550 -6.026 -9.492 1.00 0.00 H new ATOM 0 HB3 LEU A 85 -6.884 -7.012 -8.082 1.00 0.00 H new ATOM 0 HG LEU A 85 -8.287 -8.384 -10.035 1.00 0.00 H new ATOM 0 HD11 LEU A 85 -6.766 -8.554 -11.984 1.00 0.00 H new ATOM 0 HD12 LEU A 85 -7.385 -6.895 -11.800 1.00 0.00 H new ATOM 0 HD13 LEU A 85 -5.728 -7.289 -11.284 1.00 0.00 H new ATOM 0 HD21 LEU A 85 -6.385 -9.977 -9.963 1.00 0.00 H new ATOM 0 HD22 LEU A 85 -5.350 -8.709 -9.264 1.00 0.00 H new ATOM 0 HD23 LEU A 85 -6.739 -9.332 -8.343 1.00 0.00 H new ATOM 1351 N LYS A 86 -9.196 -5.221 -6.834 1.00 0.00 N ATOM 1352 CA LYS A 86 -9.250 -4.180 -5.815 1.00 0.00 C ATOM 1353 C LYS A 86 -7.946 -4.147 -5.022 1.00 0.00 C ATOM 1354 O LYS A 86 -7.726 -4.973 -4.136 1.00 0.00 O ATOM 1355 CB LYS A 86 -10.428 -4.440 -4.869 1.00 0.00 C ATOM 1356 CG LYS A 86 -10.129 -3.843 -3.491 1.00 0.00 C ATOM 1357 CD LYS A 86 -11.443 -3.487 -2.793 1.00 0.00 C ATOM 1358 CE LYS A 86 -12.160 -4.768 -2.364 1.00 0.00 C ATOM 1359 NZ LYS A 86 -11.949 -4.989 -0.906 1.00 0.00 N ATOM 0 H LYS A 86 -9.608 -6.111 -6.554 1.00 0.00 H new ATOM 0 HA LYS A 86 -9.387 -3.216 -6.304 1.00 0.00 H new ATOM 0 HB2 LYS A 86 -11.338 -3.999 -5.277 1.00 0.00 H new ATOM 0 HB3 LYS A 86 -10.605 -5.512 -4.780 1.00 0.00 H new ATOM 0 HG2 LYS A 86 -9.566 -4.556 -2.888 1.00 0.00 H new ATOM 0 HG3 LYS A 86 -9.508 -2.954 -3.595 1.00 0.00 H new ATOM 0 HD2 LYS A 86 -11.246 -2.860 -1.923 1.00 0.00 H new ATOM 0 HD3 LYS A 86 -12.079 -2.910 -3.465 1.00 0.00 H new ATOM 0 HE2 LYS A 86 -13.225 -4.691 -2.581 1.00 0.00 H new ATOM 0 HE3 LYS A 86 -11.780 -5.618 -2.931 1.00 0.00 H new ATOM 0 HZ1 LYS A 86 -12.436 -5.860 -0.613 1.00 0.00 H new ATOM 0 HZ2 LYS A 86 -10.931 -5.080 -0.712 1.00 0.00 H new ATOM 0 HZ3 LYS A 86 -12.332 -4.182 -0.374 1.00 0.00 H new ATOM 1373 N GLY A 87 -7.085 -3.189 -5.348 1.00 0.00 N ATOM 1374 CA GLY A 87 -5.805 -3.064 -4.660 1.00 0.00 C ATOM 1375 C GLY A 87 -5.757 -1.800 -3.809 1.00 0.00 C ATOM 1376 O GLY A 87 -6.059 -0.706 -4.286 1.00 0.00 O ATOM 0 H GLY A 87 -7.247 -2.494 -6.077 1.00 0.00 H new ATOM 0 HA2 GLY A 87 -5.642 -3.937 -4.028 1.00 0.00 H new ATOM 0 HA3 GLY A 87 -4.997 -3.044 -5.391 1.00 0.00 H new ATOM 1380 N ILE A 88 -5.371 -1.957 -2.546 1.00 0.00 N ATOM 1381 CA ILE A 88 -5.281 -0.821 -1.638 1.00 0.00 C ATOM 1382 C ILE A 88 -3.918 -0.149 -1.759 1.00 0.00 C ATOM 1383 O ILE A 88 -2.887 -0.820 -1.815 1.00 0.00 O ATOM 1384 CB ILE A 88 -5.496 -1.286 -0.195 1.00 0.00 C ATOM 1385 CG1 ILE A 88 -6.974 -1.629 0.015 1.00 0.00 C ATOM 1386 CG2 ILE A 88 -5.091 -0.170 0.769 1.00 0.00 C ATOM 1387 CD1 ILE A 88 -7.087 -2.882 0.885 1.00 0.00 C ATOM 0 H ILE A 88 -5.117 -2.854 -2.131 1.00 0.00 H new ATOM 0 HA ILE A 88 -6.055 -0.102 -1.906 1.00 0.00 H new ATOM 0 HB ILE A 88 -4.886 -2.169 -0.004 1.00 0.00 H new ATOM 0 HG12 ILE A 88 -7.488 -0.794 0.492 1.00 0.00 H new ATOM 0 HG13 ILE A 88 -7.460 -1.795 -0.946 1.00 0.00 H new ATOM 0 HG21 ILE A 88 -5.245 -0.502 1.796 1.00 0.00 H new ATOM 0 HG22 ILE A 88 -4.039 0.075 0.620 1.00 0.00 H new ATOM 0 HG23 ILE A 88 -5.700 0.714 0.579 1.00 0.00 H new ATOM 0 HD11 ILE A 88 -8.138 -3.127 1.035 1.00 0.00 H new ATOM 0 HD12 ILE A 88 -6.587 -3.715 0.390 1.00 0.00 H new ATOM 0 HD13 ILE A 88 -6.616 -2.698 1.851 1.00 0.00 H new ATOM 1399 N VAL A 89 -3.918 1.180 -1.805 1.00 0.00 N ATOM 1400 CA VAL A 89 -2.673 1.929 -1.926 1.00 0.00 C ATOM 1401 C VAL A 89 -2.256 2.502 -0.575 1.00 0.00 C ATOM 1402 O VAL A 89 -2.862 3.453 -0.080 1.00 0.00 O ATOM 1403 CB VAL A 89 -2.841 3.066 -2.934 1.00 0.00 C ATOM 1404 CG1 VAL A 89 -1.583 3.935 -2.938 1.00 0.00 C ATOM 1405 CG2 VAL A 89 -3.058 2.478 -4.331 1.00 0.00 C ATOM 0 H VAL A 89 -4.759 1.756 -1.761 1.00 0.00 H new ATOM 0 HA VAL A 89 -1.896 1.248 -2.274 1.00 0.00 H new ATOM 0 HB VAL A 89 -3.701 3.675 -2.656 1.00 0.00 H new ATOM 0 HG11 VAL A 89 -1.703 4.746 -3.657 1.00 0.00 H new ATOM 0 HG12 VAL A 89 -1.426 4.352 -1.943 1.00 0.00 H new ATOM 0 HG13 VAL A 89 -0.722 3.327 -3.217 1.00 0.00 H new ATOM 0 HG21 VAL A 89 -3.178 3.287 -5.052 1.00 0.00 H new ATOM 0 HG22 VAL A 89 -2.196 1.870 -4.608 1.00 0.00 H new ATOM 0 HG23 VAL A 89 -3.954 1.858 -4.329 1.00 0.00 H new ATOM 1415 N VAL A 90 -1.216 1.922 0.012 1.00 0.00 N ATOM 1416 CA VAL A 90 -0.721 2.387 1.303 1.00 0.00 C ATOM 1417 C VAL A 90 0.339 3.464 1.107 1.00 0.00 C ATOM 1418 O VAL A 90 1.191 3.353 0.225 1.00 0.00 O ATOM 1419 CB VAL A 90 -0.127 1.214 2.087 1.00 0.00 C ATOM 1420 CG1 VAL A 90 0.686 1.749 3.267 1.00 0.00 C ATOM 1421 CG2 VAL A 90 -1.259 0.323 2.607 1.00 0.00 C ATOM 0 H VAL A 90 -0.702 1.134 -0.382 1.00 0.00 H new ATOM 0 HA VAL A 90 -1.554 2.810 1.864 1.00 0.00 H new ATOM 0 HB VAL A 90 0.523 0.631 1.434 1.00 0.00 H new ATOM 0 HG11 VAL A 90 1.109 0.914 3.826 1.00 0.00 H new ATOM 0 HG12 VAL A 90 1.491 2.383 2.896 1.00 0.00 H new ATOM 0 HG13 VAL A 90 0.038 2.332 3.921 1.00 0.00 H new ATOM 0 HG21 VAL A 90 -0.837 -0.513 3.165 1.00 0.00 H new ATOM 0 HG22 VAL A 90 -1.909 0.905 3.260 1.00 0.00 H new ATOM 0 HG23 VAL A 90 -1.838 -0.058 1.766 1.00 0.00 H new ATOM 1431 N VAL A 91 0.280 4.508 1.927 1.00 0.00 N ATOM 1432 CA VAL A 91 1.241 5.600 1.821 1.00 0.00 C ATOM 1433 C VAL A 91 1.932 5.849 3.159 1.00 0.00 C ATOM 1434 O VAL A 91 1.340 5.655 4.222 1.00 0.00 O ATOM 1435 CB VAL A 91 0.530 6.875 1.368 1.00 0.00 C ATOM 1436 CG1 VAL A 91 1.560 7.873 0.837 1.00 0.00 C ATOM 1437 CG2 VAL A 91 -0.467 6.535 0.259 1.00 0.00 C ATOM 0 H VAL A 91 -0.415 4.621 2.665 1.00 0.00 H new ATOM 0 HA VAL A 91 1.996 5.320 1.086 1.00 0.00 H new ATOM 0 HB VAL A 91 -0.000 7.315 2.213 1.00 0.00 H new ATOM 0 HG11 VAL A 91 1.053 8.782 0.514 1.00 0.00 H new ATOM 0 HG12 VAL A 91 2.272 8.115 1.626 1.00 0.00 H new ATOM 0 HG13 VAL A 91 2.090 7.434 -0.008 1.00 0.00 H new ATOM 0 HG21 VAL A 91 -0.975 7.444 -0.065 1.00 0.00 H new ATOM 0 HG22 VAL A 91 0.064 6.095 -0.585 1.00 0.00 H new ATOM 0 HG23 VAL A 91 -1.202 5.823 0.636 1.00 0.00 H new ATOM 1447 N GLU A 92 3.184 6.290 3.095 1.00 0.00 N ATOM 1448 CA GLU A 92 3.952 6.574 4.303 1.00 0.00 C ATOM 1449 C GLU A 92 4.355 8.045 4.337 1.00 0.00 C ATOM 1450 O GLU A 92 5.188 8.489 3.548 1.00 0.00 O ATOM 1451 CB GLU A 92 5.204 5.696 4.350 1.00 0.00 C ATOM 1452 CG GLU A 92 5.746 5.654 5.782 1.00 0.00 C ATOM 1453 CD GLU A 92 7.110 4.973 5.806 1.00 0.00 C ATOM 1454 OE1 GLU A 92 7.436 4.311 4.834 1.00 0.00 O ATOM 1455 OE2 GLU A 92 7.807 5.124 6.795 1.00 0.00 O ATOM 0 H GLU A 92 3.687 6.458 2.224 1.00 0.00 H new ATOM 0 HA GLU A 92 3.329 6.355 5.170 1.00 0.00 H new ATOM 0 HB2 GLU A 92 4.967 4.688 4.010 1.00 0.00 H new ATOM 0 HB3 GLU A 92 5.963 6.090 3.674 1.00 0.00 H new ATOM 0 HG2 GLU A 92 5.829 6.666 6.177 1.00 0.00 H new ATOM 0 HG3 GLU A 92 5.051 5.116 6.427 1.00 0.00 H new ATOM 1462 N LYS A 93 3.752 8.797 5.253 1.00 0.00 N ATOM 1463 CA LYS A 93 4.051 10.218 5.377 1.00 0.00 C ATOM 1464 C LYS A 93 5.486 10.429 5.846 1.00 0.00 C ATOM 1465 O LYS A 93 6.020 9.636 6.620 1.00 0.00 O ATOM 1466 CB LYS A 93 3.085 10.869 6.370 1.00 0.00 C ATOM 1467 CG LYS A 93 3.114 10.099 7.690 1.00 0.00 C ATOM 1468 CD LYS A 93 2.537 10.973 8.807 1.00 0.00 C ATOM 1469 CE LYS A 93 3.655 11.380 9.768 1.00 0.00 C ATOM 1470 NZ LYS A 93 3.189 12.505 10.627 1.00 0.00 N ATOM 0 H LYS A 93 3.059 8.449 5.915 1.00 0.00 H new ATOM 0 HA LYS A 93 3.933 10.681 4.397 1.00 0.00 H new ATOM 0 HB2 LYS A 93 3.365 11.909 6.537 1.00 0.00 H new ATOM 0 HB3 LYS A 93 2.075 10.873 5.961 1.00 0.00 H new ATOM 0 HG2 LYS A 93 2.536 9.179 7.599 1.00 0.00 H new ATOM 0 HG3 LYS A 93 4.137 9.810 7.932 1.00 0.00 H new ATOM 0 HD2 LYS A 93 2.067 11.860 8.383 1.00 0.00 H new ATOM 0 HD3 LYS A 93 1.761 10.428 9.345 1.00 0.00 H new ATOM 0 HE2 LYS A 93 3.943 10.531 10.388 1.00 0.00 H new ATOM 0 HE3 LYS A 93 4.540 11.680 9.207 1.00 0.00 H new ATOM 0 HZ1 LYS A 93 3.950 12.781 11.280 1.00 0.00 H new ATOM 0 HZ2 LYS A 93 2.935 13.317 10.028 1.00 0.00 H new ATOM 0 HZ3 LYS A 93 2.357 12.203 11.173 1.00 0.00 H new ATOM 1484 N THR A 94 6.102 11.506 5.370 1.00 0.00 N ATOM 1485 CA THR A 94 7.477 11.818 5.743 1.00 0.00 C ATOM 1486 C THR A 94 7.652 13.322 5.925 1.00 0.00 C ATOM 1487 O THR A 94 7.735 13.818 7.049 1.00 0.00 O ATOM 1488 CB THR A 94 8.438 11.319 4.662 1.00 0.00 C ATOM 1489 OG1 THR A 94 8.044 10.020 4.243 1.00 0.00 O ATOM 1490 CG2 THR A 94 9.860 11.266 5.226 1.00 0.00 C ATOM 0 H THR A 94 5.674 12.174 4.729 1.00 0.00 H new ATOM 0 HA THR A 94 7.701 11.319 6.686 1.00 0.00 H new ATOM 0 HB THR A 94 8.412 11.999 3.810 1.00 0.00 H new ATOM 0 HG1 THR A 94 8.833 9.516 3.954 1.00 0.00 H new ATOM 0 HG21 THR A 94 10.544 10.910 4.455 1.00 0.00 H new ATOM 0 HG22 THR A 94 10.162 12.263 5.547 1.00 0.00 H new ATOM 0 HG23 THR A 94 9.888 10.587 6.078 1.00 0.00 H new ATOM 1498 N ARG A 95 7.708 14.039 4.810 1.00 0.00 N ATOM 1499 CA ARG A 95 7.873 15.486 4.851 1.00 0.00 C ATOM 1500 C ARG A 95 7.025 16.156 3.775 1.00 0.00 C ATOM 1501 O ARG A 95 6.041 16.831 4.077 1.00 0.00 O ATOM 1502 CB ARG A 95 9.346 15.847 4.643 1.00 0.00 C ATOM 1503 CG ARG A 95 10.221 14.638 4.982 1.00 0.00 C ATOM 1504 CD ARG A 95 11.687 14.973 4.703 1.00 0.00 C ATOM 1505 NE ARG A 95 12.127 16.068 5.561 1.00 0.00 N ATOM 1506 CZ ARG A 95 12.765 15.834 6.705 1.00 0.00 C ATOM 1507 NH1 ARG A 95 13.018 14.609 7.076 1.00 0.00 N ATOM 1508 NH2 ARG A 95 13.141 16.833 7.455 1.00 0.00 N ATOM 0 H ARG A 95 7.642 13.645 3.871 1.00 0.00 H new ATOM 0 HA ARG A 95 7.544 15.843 5.827 1.00 0.00 H new ATOM 0 HB2 ARG A 95 9.514 16.153 3.610 1.00 0.00 H new ATOM 0 HB3 ARG A 95 9.617 16.693 5.274 1.00 0.00 H new ATOM 0 HG2 ARG A 95 10.093 14.365 6.030 1.00 0.00 H new ATOM 0 HG3 ARG A 95 9.915 13.777 4.389 1.00 0.00 H new ATOM 0 HD2 ARG A 95 12.308 14.094 4.876 1.00 0.00 H new ATOM 0 HD3 ARG A 95 11.811 15.249 3.656 1.00 0.00 H new ATOM 0 HE ARG A 95 11.942 17.031 5.279 1.00 0.00 H new ATOM 0 HH11 ARG A 95 12.727 13.828 6.489 1.00 0.00 H new ATOM 0 HH12 ARG A 95 13.507 14.433 7.953 1.00 0.00 H new ATOM 0 HH21 ARG A 95 12.946 17.791 7.164 1.00 0.00 H new ATOM 0 HH22 ARG A 95 13.630 16.656 8.332 1.00 0.00 H new ATOM 1522 N MET A 96 7.412 15.966 2.517 1.00 0.00 N ATOM 1523 CA MET A 96 6.679 16.558 1.403 1.00 0.00 C ATOM 1524 C MET A 96 5.313 15.895 1.245 1.00 0.00 C ATOM 1525 O MET A 96 4.462 16.375 0.496 1.00 0.00 O ATOM 1526 CB MET A 96 7.479 16.400 0.108 1.00 0.00 C ATOM 1527 CG MET A 96 8.444 17.579 -0.044 1.00 0.00 C ATOM 1528 SD MET A 96 7.528 19.039 -0.597 1.00 0.00 S ATOM 1529 CE MET A 96 8.955 20.009 -1.145 1.00 0.00 C ATOM 0 H MET A 96 8.223 15.411 2.245 1.00 0.00 H new ATOM 0 HA MET A 96 6.533 17.618 1.612 1.00 0.00 H new ATOM 0 HB2 MET A 96 8.034 15.462 0.123 1.00 0.00 H new ATOM 0 HB3 MET A 96 6.803 16.357 -0.746 1.00 0.00 H new ATOM 0 HG2 MET A 96 8.937 17.784 0.906 1.00 0.00 H new ATOM 0 HG3 MET A 96 9.226 17.333 -0.763 1.00 0.00 H new ATOM 0 HE1 MET A 96 8.615 20.970 -1.532 1.00 0.00 H new ATOM 0 HE2 MET A 96 9.627 20.174 -0.303 1.00 0.00 H new ATOM 0 HE3 MET A 96 9.483 19.468 -1.930 1.00 0.00 H new ATOM 1539 N SER A 97 5.110 14.791 1.955 1.00 0.00 N ATOM 1540 CA SER A 97 3.844 14.072 1.885 1.00 0.00 C ATOM 1541 C SER A 97 2.670 15.023 2.099 1.00 0.00 C ATOM 1542 O SER A 97 2.197 15.661 1.159 1.00 0.00 O ATOM 1543 CB SER A 97 3.810 12.970 2.945 1.00 0.00 C ATOM 1544 OG SER A 97 4.328 13.477 4.167 1.00 0.00 O ATOM 0 H SER A 97 5.800 14.377 2.581 1.00 0.00 H new ATOM 0 HA SER A 97 3.757 13.627 0.894 1.00 0.00 H new ATOM 0 HB2 SER A 97 2.788 12.619 3.088 1.00 0.00 H new ATOM 0 HB3 SER A 97 4.398 12.114 2.615 1.00 0.00 H new ATOM 0 HG SER A 97 3.722 13.244 4.901 1.00 0.00 H new ATOM 1550 N GLU A 98 2.205 15.108 3.341 1.00 0.00 N ATOM 1551 CA GLU A 98 1.081 15.980 3.672 1.00 0.00 C ATOM 1552 C GLU A 98 1.132 17.268 2.855 1.00 0.00 C ATOM 1553 O GLU A 98 0.105 17.906 2.624 1.00 0.00 O ATOM 1554 CB GLU A 98 1.107 16.323 5.161 1.00 0.00 C ATOM 1555 CG GLU A 98 1.023 15.038 5.986 1.00 0.00 C ATOM 1556 CD GLU A 98 0.133 15.257 7.205 1.00 0.00 C ATOM 1557 OE1 GLU A 98 0.627 15.789 8.186 1.00 0.00 O ATOM 1558 OE2 GLU A 98 -1.029 14.892 7.139 1.00 0.00 O ATOM 0 H GLU A 98 2.585 14.588 4.131 1.00 0.00 H new ATOM 0 HA GLU A 98 0.159 15.450 3.433 1.00 0.00 H new ATOM 0 HB2 GLU A 98 2.022 16.864 5.404 1.00 0.00 H new ATOM 0 HB3 GLU A 98 0.273 16.980 5.408 1.00 0.00 H new ATOM 0 HG2 GLU A 98 0.623 14.229 5.374 1.00 0.00 H new ATOM 0 HG3 GLU A 98 2.020 14.734 6.304 1.00 0.00 H new ATOM 1565 N GLN A 99 2.330 17.648 2.424 1.00 0.00 N ATOM 1566 CA GLN A 99 2.495 18.867 1.640 1.00 0.00 C ATOM 1567 C GLN A 99 1.975 18.669 0.218 1.00 0.00 C ATOM 1568 O GLN A 99 1.179 19.467 -0.276 1.00 0.00 O ATOM 1569 CB GLN A 99 3.972 19.266 1.597 1.00 0.00 C ATOM 1570 CG GLN A 99 4.492 19.448 3.024 1.00 0.00 C ATOM 1571 CD GLN A 99 4.712 20.929 3.313 1.00 0.00 C ATOM 1572 OE1 GLN A 99 3.754 21.668 3.534 1.00 0.00 O ATOM 1573 NE2 GLN A 99 5.926 21.408 3.326 1.00 0.00 N ATOM 0 H GLN A 99 3.194 17.135 2.602 1.00 0.00 H new ATOM 0 HA GLN A 99 1.919 19.661 2.115 1.00 0.00 H new ATOM 0 HB2 GLN A 99 4.552 18.500 1.082 1.00 0.00 H new ATOM 0 HB3 GLN A 99 4.094 20.191 1.033 1.00 0.00 H new ATOM 0 HG2 GLN A 99 3.779 19.032 3.736 1.00 0.00 H new ATOM 0 HG3 GLN A 99 5.426 18.901 3.152 1.00 0.00 H new ATOM 0 HE21 GLN A 99 6.719 20.793 3.142 1.00 0.00 H new ATOM 0 HE22 GLN A 99 6.082 22.397 3.520 1.00 0.00 H new ATOM 1582 N TYR A 100 2.430 17.605 -0.435 1.00 0.00 N ATOM 1583 CA TYR A 100 2.001 17.318 -1.800 1.00 0.00 C ATOM 1584 C TYR A 100 1.197 16.023 -1.850 1.00 0.00 C ATOM 1585 O TYR A 100 0.928 15.489 -2.926 1.00 0.00 O ATOM 1586 CB TYR A 100 3.218 17.202 -2.719 1.00 0.00 C ATOM 1587 CG TYR A 100 2.915 17.856 -4.045 1.00 0.00 C ATOM 1588 CD1 TYR A 100 2.802 19.249 -4.129 1.00 0.00 C ATOM 1589 CD2 TYR A 100 2.746 17.070 -5.190 1.00 0.00 C ATOM 1590 CE1 TYR A 100 2.521 19.855 -5.358 1.00 0.00 C ATOM 1591 CE2 TYR A 100 2.464 17.676 -6.420 1.00 0.00 C ATOM 1592 CZ TYR A 100 2.353 19.069 -6.503 1.00 0.00 C ATOM 1593 OH TYR A 100 2.075 19.668 -7.716 1.00 0.00 O ATOM 0 H TYR A 100 3.090 16.932 -0.046 1.00 0.00 H new ATOM 0 HA TYR A 100 1.368 18.138 -2.140 1.00 0.00 H new ATOM 0 HB2 TYR A 100 4.082 17.678 -2.256 1.00 0.00 H new ATOM 0 HB3 TYR A 100 3.474 16.153 -2.869 1.00 0.00 H new ATOM 0 HD1 TYR A 100 2.932 19.856 -3.245 1.00 0.00 H new ATOM 0 HD2 TYR A 100 2.833 15.995 -5.125 1.00 0.00 H new ATOM 0 HE1 TYR A 100 2.434 20.930 -5.423 1.00 0.00 H new ATOM 0 HE2 TYR A 100 2.332 17.070 -7.304 1.00 0.00 H new ATOM 0 HH TYR A 100 1.989 18.980 -8.409 1.00 0.00 H new ATOM 1603 N PHE A 101 0.815 15.520 -0.680 1.00 0.00 N ATOM 1604 CA PHE A 101 0.043 14.286 -0.606 1.00 0.00 C ATOM 1605 C PHE A 101 -1.374 14.497 -1.138 1.00 0.00 C ATOM 1606 O PHE A 101 -1.968 13.587 -1.715 1.00 0.00 O ATOM 1607 CB PHE A 101 -0.014 13.782 0.840 1.00 0.00 C ATOM 1608 CG PHE A 101 -0.950 12.600 0.925 1.00 0.00 C ATOM 1609 CD1 PHE A 101 -0.756 11.489 0.095 1.00 0.00 C ATOM 1610 CD2 PHE A 101 -2.014 12.615 1.836 1.00 0.00 C ATOM 1611 CE1 PHE A 101 -1.624 10.394 0.176 1.00 0.00 C ATOM 1612 CE2 PHE A 101 -2.882 11.520 1.917 1.00 0.00 C ATOM 1613 CZ PHE A 101 -2.687 10.410 1.087 1.00 0.00 C ATOM 0 H PHE A 101 1.026 15.945 0.223 1.00 0.00 H new ATOM 0 HA PHE A 101 0.538 13.539 -1.226 1.00 0.00 H new ATOM 0 HB2 PHE A 101 0.982 13.495 1.176 1.00 0.00 H new ATOM 0 HB3 PHE A 101 -0.356 14.579 1.501 1.00 0.00 H new ATOM 0 HD1 PHE A 101 0.064 11.477 -0.608 1.00 0.00 H new ATOM 0 HD2 PHE A 101 -2.165 13.472 2.476 1.00 0.00 H new ATOM 0 HE1 PHE A 101 -1.474 9.537 -0.464 1.00 0.00 H new ATOM 0 HE2 PHE A 101 -3.702 11.532 2.620 1.00 0.00 H new ATOM 0 HZ PHE A 101 -3.357 9.565 1.149 1.00 0.00 H new ATOM 1623 N PRO A 102 -1.922 15.673 -0.959 1.00 0.00 N ATOM 1624 CA PRO A 102 -3.299 15.998 -1.434 1.00 0.00 C ATOM 1625 C PRO A 102 -3.388 16.013 -2.959 1.00 0.00 C ATOM 1626 O PRO A 102 -4.165 15.266 -3.553 1.00 0.00 O ATOM 1627 CB PRO A 102 -3.586 17.394 -0.864 1.00 0.00 C ATOM 1628 CG PRO A 102 -2.489 17.689 0.109 1.00 0.00 C ATOM 1629 CD PRO A 102 -1.299 16.819 -0.286 1.00 0.00 C ATOM 0 HA PRO A 102 -4.021 15.250 -1.105 1.00 0.00 H new ATOM 0 HB2 PRO A 102 -3.611 18.140 -1.658 1.00 0.00 H new ATOM 0 HB3 PRO A 102 -4.558 17.420 -0.372 1.00 0.00 H new ATOM 0 HG2 PRO A 102 -2.221 18.745 0.080 1.00 0.00 H new ATOM 0 HG3 PRO A 102 -2.807 17.468 1.128 1.00 0.00 H new ATOM 0 HD2 PRO A 102 -0.615 17.350 -0.948 1.00 0.00 H new ATOM 0 HD3 PRO A 102 -0.722 16.508 0.585 1.00 0.00 H new ATOM 1637 N ALA A 103 -2.588 16.871 -3.583 1.00 0.00 N ATOM 1638 CA ALA A 103 -2.583 16.982 -5.038 1.00 0.00 C ATOM 1639 C ALA A 103 -2.501 15.604 -5.687 1.00 0.00 C ATOM 1640 O ALA A 103 -3.137 15.352 -6.710 1.00 0.00 O ATOM 1641 CB ALA A 103 -1.394 17.831 -5.493 1.00 0.00 C ATOM 0 H ALA A 103 -1.938 17.497 -3.108 1.00 0.00 H new ATOM 0 HA ALA A 103 -3.513 17.459 -5.346 1.00 0.00 H new ATOM 0 HB1 ALA A 103 -1.397 17.909 -6.580 1.00 0.00 H new ATOM 0 HB2 ALA A 103 -1.470 18.827 -5.057 1.00 0.00 H new ATOM 0 HB3 ALA A 103 -0.466 17.362 -5.166 1.00 0.00 H new ATOM 1647 N LEU A 104 -1.713 14.717 -5.089 1.00 0.00 N ATOM 1648 CA LEU A 104 -1.556 13.370 -5.625 1.00 0.00 C ATOM 1649 C LEU A 104 -2.811 12.541 -5.373 1.00 0.00 C ATOM 1650 O LEU A 104 -3.384 11.969 -6.300 1.00 0.00 O ATOM 1651 CB LEU A 104 -0.350 12.687 -4.976 1.00 0.00 C ATOM 1652 CG LEU A 104 -0.120 11.324 -5.632 1.00 0.00 C ATOM 1653 CD1 LEU A 104 0.340 11.521 -7.077 1.00 0.00 C ATOM 1654 CD2 LEU A 104 0.956 10.562 -4.854 1.00 0.00 C ATOM 0 H LEU A 104 -1.178 14.904 -4.241 1.00 0.00 H new ATOM 0 HA LEU A 104 -1.396 13.444 -6.701 1.00 0.00 H new ATOM 0 HB2 LEU A 104 0.537 13.310 -5.087 1.00 0.00 H new ATOM 0 HB3 LEU A 104 -0.521 12.563 -3.907 1.00 0.00 H new ATOM 0 HG LEU A 104 -1.050 10.755 -5.623 1.00 0.00 H new ATOM 0 HD11 LEU A 104 0.503 10.549 -7.543 1.00 0.00 H new ATOM 0 HD12 LEU A 104 -0.425 12.065 -7.631 1.00 0.00 H new ATOM 0 HD13 LEU A 104 1.270 12.090 -7.089 1.00 0.00 H new ATOM 0 HD21 LEU A 104 1.122 9.590 -5.319 1.00 0.00 H new ATOM 0 HD22 LEU A 104 1.885 11.132 -4.864 1.00 0.00 H new ATOM 0 HD23 LEU A 104 0.628 10.420 -3.824 1.00 0.00 H new ATOM 1666 N GLN A 105 -3.232 12.480 -4.114 1.00 0.00 N ATOM 1667 CA GLN A 105 -4.422 11.716 -3.755 1.00 0.00 C ATOM 1668 C GLN A 105 -5.574 12.039 -4.701 1.00 0.00 C ATOM 1669 O GLN A 105 -6.366 11.165 -5.051 1.00 0.00 O ATOM 1670 CB GLN A 105 -4.835 12.033 -2.316 1.00 0.00 C ATOM 1671 CG GLN A 105 -5.899 11.034 -1.856 1.00 0.00 C ATOM 1672 CD GLN A 105 -7.097 11.777 -1.274 1.00 0.00 C ATOM 1673 OE1 GLN A 105 -7.597 12.722 -1.882 1.00 0.00 O ATOM 1674 NE2 GLN A 105 -7.588 11.403 -0.125 1.00 0.00 N ATOM 0 H GLN A 105 -2.772 12.946 -3.332 1.00 0.00 H new ATOM 0 HA GLN A 105 -4.186 10.655 -3.838 1.00 0.00 H new ATOM 0 HB2 GLN A 105 -3.967 11.984 -1.659 1.00 0.00 H new ATOM 0 HB3 GLN A 105 -5.225 13.049 -2.254 1.00 0.00 H new ATOM 0 HG2 GLN A 105 -6.217 10.417 -2.696 1.00 0.00 H new ATOM 0 HG3 GLN A 105 -5.479 10.362 -1.108 1.00 0.00 H new ATOM 0 HE21 GLN A 105 -7.171 10.619 0.377 1.00 0.00 H new ATOM 0 HE22 GLN A 105 -8.389 11.895 0.272 1.00 0.00 H new ATOM 1683 N LYS A 106 -5.661 13.300 -5.110 1.00 0.00 N ATOM 1684 CA LYS A 106 -6.721 13.726 -6.017 1.00 0.00 C ATOM 1685 C LYS A 106 -6.576 13.033 -7.367 1.00 0.00 C ATOM 1686 O LYS A 106 -7.562 12.605 -7.966 1.00 0.00 O ATOM 1687 CB LYS A 106 -6.661 15.242 -6.212 1.00 0.00 C ATOM 1688 CG LYS A 106 -7.503 15.928 -5.136 1.00 0.00 C ATOM 1689 CD LYS A 106 -7.464 17.443 -5.345 1.00 0.00 C ATOM 1690 CE LYS A 106 -8.496 17.838 -6.404 1.00 0.00 C ATOM 1691 NZ LYS A 106 -8.407 19.304 -6.659 1.00 0.00 N ATOM 0 H LYS A 106 -5.016 14.040 -4.831 1.00 0.00 H new ATOM 0 HA LYS A 106 -7.682 13.453 -5.580 1.00 0.00 H new ATOM 0 HB2 LYS A 106 -5.628 15.586 -6.155 1.00 0.00 H new ATOM 0 HB3 LYS A 106 -7.031 15.507 -7.202 1.00 0.00 H new ATOM 0 HG2 LYS A 106 -8.532 15.570 -5.182 1.00 0.00 H new ATOM 0 HG3 LYS A 106 -7.122 15.677 -4.146 1.00 0.00 H new ATOM 0 HD2 LYS A 106 -7.675 17.956 -4.407 1.00 0.00 H new ATOM 0 HD3 LYS A 106 -6.467 17.752 -5.660 1.00 0.00 H new ATOM 0 HE2 LYS A 106 -8.317 17.286 -7.326 1.00 0.00 H new ATOM 0 HE3 LYS A 106 -9.499 17.577 -6.066 1.00 0.00 H new ATOM 0 HZ1 LYS A 106 -9.108 19.574 -7.378 1.00 0.00 H new ATOM 0 HZ2 LYS A 106 -8.598 19.822 -5.778 1.00 0.00 H new ATOM 0 HZ3 LYS A 106 -7.453 19.540 -6.999 1.00 0.00 H new ATOM 1705 N PHE A 107 -5.339 12.927 -7.838 1.00 0.00 N ATOM 1706 CA PHE A 107 -5.070 12.284 -9.118 1.00 0.00 C ATOM 1707 C PHE A 107 -5.237 10.772 -9.006 1.00 0.00 C ATOM 1708 O PHE A 107 -5.860 10.141 -9.858 1.00 0.00 O ATOM 1709 CB PHE A 107 -3.645 12.608 -9.571 1.00 0.00 C ATOM 1710 CG PHE A 107 -3.663 13.820 -10.469 1.00 0.00 C ATOM 1711 CD1 PHE A 107 -4.086 15.057 -9.966 1.00 0.00 C ATOM 1712 CD2 PHE A 107 -3.259 13.709 -11.805 1.00 0.00 C ATOM 1713 CE1 PHE A 107 -4.102 16.183 -10.798 1.00 0.00 C ATOM 1714 CE2 PHE A 107 -3.276 14.835 -12.638 1.00 0.00 C ATOM 1715 CZ PHE A 107 -3.697 16.071 -12.134 1.00 0.00 C ATOM 0 H PHE A 107 -4.511 13.276 -7.356 1.00 0.00 H new ATOM 0 HA PHE A 107 -5.783 12.662 -9.851 1.00 0.00 H new ATOM 0 HB2 PHE A 107 -3.011 12.794 -8.704 1.00 0.00 H new ATOM 0 HB3 PHE A 107 -3.219 11.756 -10.101 1.00 0.00 H new ATOM 0 HD1 PHE A 107 -4.400 15.142 -8.936 1.00 0.00 H new ATOM 0 HD2 PHE A 107 -2.934 12.755 -12.193 1.00 0.00 H new ATOM 0 HE1 PHE A 107 -4.426 17.137 -10.410 1.00 0.00 H new ATOM 0 HE2 PHE A 107 -2.964 14.749 -13.669 1.00 0.00 H new ATOM 0 HZ PHE A 107 -3.710 16.939 -12.776 1.00 0.00 H new ATOM 1725 N THR A 108 -4.670 10.200 -7.950 1.00 0.00 N ATOM 1726 CA THR A 108 -4.754 8.761 -7.732 1.00 0.00 C ATOM 1727 C THR A 108 -6.208 8.313 -7.609 1.00 0.00 C ATOM 1728 O THR A 108 -6.567 7.219 -8.046 1.00 0.00 O ATOM 1729 CB THR A 108 -3.993 8.385 -6.455 1.00 0.00 C ATOM 1730 OG1 THR A 108 -3.537 9.569 -5.815 1.00 0.00 O ATOM 1731 CG2 THR A 108 -2.795 7.501 -6.808 1.00 0.00 C ATOM 0 H THR A 108 -4.150 10.708 -7.235 1.00 0.00 H new ATOM 0 HA THR A 108 -4.307 8.258 -8.589 1.00 0.00 H new ATOM 0 HB THR A 108 -4.657 7.838 -5.785 1.00 0.00 H new ATOM 0 HG1 THR A 108 -2.920 9.333 -5.091 1.00 0.00 H new ATOM 0 HG21 THR A 108 -2.257 7.236 -5.898 1.00 0.00 H new ATOM 0 HG22 THR A 108 -3.145 6.593 -7.300 1.00 0.00 H new ATOM 0 HG23 THR A 108 -2.128 8.043 -7.479 1.00 0.00 H new ATOM 1739 N VAL A 109 -7.036 9.159 -7.010 1.00 0.00 N ATOM 1740 CA VAL A 109 -8.446 8.833 -6.831 1.00 0.00 C ATOM 1741 C VAL A 109 -9.215 9.005 -8.139 1.00 0.00 C ATOM 1742 O VAL A 109 -9.891 8.085 -8.598 1.00 0.00 O ATOM 1743 CB VAL A 109 -9.056 9.734 -5.756 1.00 0.00 C ATOM 1744 CG1 VAL A 109 -10.570 9.824 -5.957 1.00 0.00 C ATOM 1745 CG2 VAL A 109 -8.762 9.146 -4.373 1.00 0.00 C ATOM 0 H VAL A 109 -6.759 10.069 -6.642 1.00 0.00 H new ATOM 0 HA VAL A 109 -8.519 7.791 -6.520 1.00 0.00 H new ATOM 0 HB VAL A 109 -8.621 10.731 -5.831 1.00 0.00 H new ATOM 0 HG11 VAL A 109 -11.001 10.467 -5.189 1.00 0.00 H new ATOM 0 HG12 VAL A 109 -10.782 10.242 -6.941 1.00 0.00 H new ATOM 0 HG13 VAL A 109 -11.007 8.828 -5.884 1.00 0.00 H new ATOM 0 HG21 VAL A 109 -9.196 9.787 -3.605 1.00 0.00 H new ATOM 0 HG22 VAL A 109 -9.197 8.149 -4.302 1.00 0.00 H new ATOM 0 HG23 VAL A 109 -7.684 9.083 -4.226 1.00 0.00 H new ATOM 1755 N LEU A 110 -9.113 10.187 -8.732 1.00 0.00 N ATOM 1756 CA LEU A 110 -9.811 10.464 -9.981 1.00 0.00 C ATOM 1757 C LEU A 110 -9.352 9.514 -11.084 1.00 0.00 C ATOM 1758 O LEU A 110 -10.114 9.195 -11.997 1.00 0.00 O ATOM 1759 CB LEU A 110 -9.555 11.909 -10.413 1.00 0.00 C ATOM 1760 CG LEU A 110 -10.434 12.246 -11.618 1.00 0.00 C ATOM 1761 CD1 LEU A 110 -10.920 13.692 -11.508 1.00 0.00 C ATOM 1762 CD2 LEU A 110 -9.619 12.079 -12.903 1.00 0.00 C ATOM 0 H LEU A 110 -8.559 10.964 -8.372 1.00 0.00 H new ATOM 0 HA LEU A 110 -10.878 10.315 -9.814 1.00 0.00 H new ATOM 0 HB2 LEU A 110 -9.772 12.590 -9.590 1.00 0.00 H new ATOM 0 HB3 LEU A 110 -8.504 12.042 -10.668 1.00 0.00 H new ATOM 0 HG LEU A 110 -11.293 11.576 -11.640 1.00 0.00 H new ATOM 0 HD11 LEU A 110 -11.546 13.932 -12.367 1.00 0.00 H new ATOM 0 HD12 LEU A 110 -11.499 13.813 -10.592 1.00 0.00 H new ATOM 0 HD13 LEU A 110 -10.062 14.364 -11.486 1.00 0.00 H new ATOM 0 HD21 LEU A 110 -10.243 12.319 -13.764 1.00 0.00 H new ATOM 0 HD22 LEU A 110 -8.761 12.750 -12.879 1.00 0.00 H new ATOM 0 HD23 LEU A 110 -9.272 11.049 -12.982 1.00 0.00 H new ATOM 1774 N ASP A 111 -8.102 9.072 -11.000 1.00 0.00 N ATOM 1775 CA ASP A 111 -7.553 8.168 -12.005 1.00 0.00 C ATOM 1776 C ASP A 111 -7.903 6.713 -11.696 1.00 0.00 C ATOM 1777 O ASP A 111 -8.393 5.989 -12.563 1.00 0.00 O ATOM 1778 CB ASP A 111 -6.033 8.323 -12.069 1.00 0.00 C ATOM 1779 CG ASP A 111 -5.456 7.384 -13.123 1.00 0.00 C ATOM 1780 OD1 ASP A 111 -6.197 6.997 -14.010 1.00 0.00 O ATOM 1781 OD2 ASP A 111 -4.282 7.067 -13.026 1.00 0.00 O ATOM 0 H ASP A 111 -7.454 9.322 -10.253 1.00 0.00 H new ATOM 0 HA ASP A 111 -7.993 8.430 -12.967 1.00 0.00 H new ATOM 0 HB2 ASP A 111 -5.774 9.354 -12.308 1.00 0.00 H new ATOM 0 HB3 ASP A 111 -5.596 8.103 -11.095 1.00 0.00 H new ATOM 1786 N LEU A 112 -7.633 6.284 -10.467 1.00 0.00 N ATOM 1787 CA LEU A 112 -7.913 4.903 -10.077 1.00 0.00 C ATOM 1788 C LEU A 112 -9.147 4.811 -9.185 1.00 0.00 C ATOM 1789 O LEU A 112 -9.836 3.791 -9.171 1.00 0.00 O ATOM 1790 CB LEU A 112 -6.708 4.321 -9.335 1.00 0.00 C ATOM 1791 CG LEU A 112 -5.665 3.843 -10.347 1.00 0.00 C ATOM 1792 CD1 LEU A 112 -4.978 5.051 -10.985 1.00 0.00 C ATOM 1793 CD2 LEU A 112 -4.621 2.982 -9.632 1.00 0.00 C ATOM 0 H LEU A 112 -7.226 6.862 -9.732 1.00 0.00 H new ATOM 0 HA LEU A 112 -8.105 4.333 -10.986 1.00 0.00 H new ATOM 0 HB2 LEU A 112 -6.274 5.075 -8.678 1.00 0.00 H new ATOM 0 HB3 LEU A 112 -7.023 3.491 -8.703 1.00 0.00 H new ATOM 0 HG LEU A 112 -6.155 3.254 -11.123 1.00 0.00 H new ATOM 0 HD11 LEU A 112 -4.235 4.709 -11.706 1.00 0.00 H new ATOM 0 HD12 LEU A 112 -5.721 5.665 -11.494 1.00 0.00 H new ATOM 0 HD13 LEU A 112 -4.487 5.641 -10.211 1.00 0.00 H new ATOM 0 HD21 LEU A 112 -3.877 2.640 -10.351 1.00 0.00 H new ATOM 0 HD22 LEU A 112 -4.132 3.572 -8.857 1.00 0.00 H new ATOM 0 HD23 LEU A 112 -5.110 2.120 -9.178 1.00 0.00 H new ATOM 1805 N GLY A 113 -9.423 5.873 -8.435 1.00 0.00 N ATOM 1806 CA GLY A 113 -10.579 5.878 -7.543 1.00 0.00 C ATOM 1807 C GLY A 113 -10.529 4.684 -6.595 1.00 0.00 C ATOM 1808 O GLY A 113 -11.531 4.329 -5.973 1.00 0.00 O ATOM 0 H GLY A 113 -8.871 6.731 -8.425 1.00 0.00 H new ATOM 0 HA2 GLY A 113 -10.599 6.805 -6.969 1.00 0.00 H new ATOM 0 HA3 GLY A 113 -11.498 5.846 -8.129 1.00 0.00 H new ATOM 1812 N MET A 114 -9.355 4.069 -6.495 1.00 0.00 N ATOM 1813 CA MET A 114 -9.172 2.913 -5.623 1.00 0.00 C ATOM 1814 C MET A 114 -9.208 3.331 -4.156 1.00 0.00 C ATOM 1815 O MET A 114 -9.792 4.356 -3.806 1.00 0.00 O ATOM 1816 CB MET A 114 -7.834 2.237 -5.930 1.00 0.00 C ATOM 1817 CG MET A 114 -6.691 3.079 -5.359 1.00 0.00 C ATOM 1818 SD MET A 114 -7.175 4.824 -5.341 1.00 0.00 S ATOM 1819 CE MET A 114 -5.563 5.503 -4.876 1.00 0.00 C ATOM 0 H MET A 114 -8.518 4.350 -7.005 1.00 0.00 H new ATOM 0 HA MET A 114 -9.986 2.212 -5.806 1.00 0.00 H new ATOM 0 HB2 MET A 114 -7.813 1.236 -5.498 1.00 0.00 H new ATOM 0 HB3 MET A 114 -7.712 2.122 -7.007 1.00 0.00 H new ATOM 0 HG2 MET A 114 -6.450 2.747 -4.349 1.00 0.00 H new ATOM 0 HG3 MET A 114 -5.792 2.946 -5.961 1.00 0.00 H new ATOM 0 HE1 MET A 114 -5.702 6.466 -4.384 1.00 0.00 H new ATOM 0 HE2 MET A 114 -5.062 4.816 -4.194 1.00 0.00 H new ATOM 0 HE3 MET A 114 -4.953 5.637 -5.769 1.00 0.00 H new ATOM 1829 N VAL A 115 -8.581 2.527 -3.301 1.00 0.00 N ATOM 1830 CA VAL A 115 -8.549 2.819 -1.872 1.00 0.00 C ATOM 1831 C VAL A 115 -7.146 3.233 -1.437 1.00 0.00 C ATOM 1832 O VAL A 115 -6.153 2.643 -1.862 1.00 0.00 O ATOM 1833 CB VAL A 115 -8.985 1.586 -1.079 1.00 0.00 C ATOM 1834 CG1 VAL A 115 -8.778 1.842 0.415 1.00 0.00 C ATOM 1835 CG2 VAL A 115 -10.466 1.304 -1.347 1.00 0.00 C ATOM 0 H VAL A 115 -8.091 1.674 -3.571 1.00 0.00 H new ATOM 0 HA VAL A 115 -9.235 3.643 -1.675 1.00 0.00 H new ATOM 0 HB VAL A 115 -8.390 0.727 -1.387 1.00 0.00 H new ATOM 0 HG11 VAL A 115 -9.088 0.964 0.981 1.00 0.00 H new ATOM 0 HG12 VAL A 115 -7.724 2.044 0.607 1.00 0.00 H new ATOM 0 HG13 VAL A 115 -9.374 2.701 0.723 1.00 0.00 H new ATOM 0 HG21 VAL A 115 -10.777 0.425 -0.782 1.00 0.00 H new ATOM 0 HG22 VAL A 115 -11.062 2.163 -1.039 1.00 0.00 H new ATOM 0 HG23 VAL A 115 -10.615 1.122 -2.411 1.00 0.00 H new ATOM 1845 N LEU A 116 -7.074 4.252 -0.585 1.00 0.00 N ATOM 1846 CA LEU A 116 -5.791 4.739 -0.095 1.00 0.00 C ATOM 1847 C LEU A 116 -5.804 4.841 1.428 1.00 0.00 C ATOM 1848 O LEU A 116 -6.691 5.465 2.009 1.00 0.00 O ATOM 1849 CB LEU A 116 -5.492 6.111 -0.697 1.00 0.00 C ATOM 1850 CG LEU A 116 -6.614 7.084 -0.331 1.00 0.00 C ATOM 1851 CD1 LEU A 116 -6.113 8.065 0.731 1.00 0.00 C ATOM 1852 CD2 LEU A 116 -7.041 7.859 -1.579 1.00 0.00 C ATOM 0 H LEU A 116 -7.885 4.753 -0.222 1.00 0.00 H new ATOM 0 HA LEU A 116 -5.016 4.034 -0.394 1.00 0.00 H new ATOM 0 HB2 LEU A 116 -4.538 6.483 -0.325 1.00 0.00 H new ATOM 0 HB3 LEU A 116 -5.403 6.033 -1.781 1.00 0.00 H new ATOM 0 HG LEU A 116 -7.465 6.527 0.062 1.00 0.00 H new ATOM 0 HD11 LEU A 116 -6.913 8.758 0.992 1.00 0.00 H new ATOM 0 HD12 LEU A 116 -5.806 7.514 1.620 1.00 0.00 H new ATOM 0 HD13 LEU A 116 -5.263 8.623 0.339 1.00 0.00 H new ATOM 0 HD21 LEU A 116 -7.841 8.553 -1.320 1.00 0.00 H new ATOM 0 HD22 LEU A 116 -6.190 8.416 -1.971 1.00 0.00 H new ATOM 0 HD23 LEU A 116 -7.397 7.161 -2.337 1.00 0.00 H new ATOM 1864 N LEU A 117 -4.815 4.223 2.067 1.00 0.00 N ATOM 1865 CA LEU A 117 -4.724 4.250 3.523 1.00 0.00 C ATOM 1866 C LEU A 117 -3.301 4.597 3.964 1.00 0.00 C ATOM 1867 O LEU A 117 -2.416 3.741 3.948 1.00 0.00 O ATOM 1868 CB LEU A 117 -5.117 2.882 4.093 1.00 0.00 C ATOM 1869 CG LEU A 117 -6.407 3.013 4.907 1.00 0.00 C ATOM 1870 CD1 LEU A 117 -7.558 3.414 3.981 1.00 0.00 C ATOM 1871 CD2 LEU A 117 -6.730 1.674 5.573 1.00 0.00 C ATOM 0 H LEU A 117 -4.071 3.701 1.604 1.00 0.00 H new ATOM 0 HA LEU A 117 -5.406 5.012 3.900 1.00 0.00 H new ATOM 0 HB2 LEU A 117 -5.258 2.167 3.283 1.00 0.00 H new ATOM 0 HB3 LEU A 117 -4.316 2.496 4.723 1.00 0.00 H new ATOM 0 HG LEU A 117 -6.275 3.777 5.674 1.00 0.00 H new ATOM 0 HD11 LEU A 117 -8.476 3.507 4.561 1.00 0.00 H new ATOM 0 HD12 LEU A 117 -7.329 4.369 3.508 1.00 0.00 H new ATOM 0 HD13 LEU A 117 -7.690 2.652 3.213 1.00 0.00 H new ATOM 0 HD21 LEU A 117 -7.648 1.768 6.152 1.00 0.00 H new ATOM 0 HD22 LEU A 117 -6.860 0.909 4.808 1.00 0.00 H new ATOM 0 HD23 LEU A 117 -5.911 1.390 6.234 1.00 0.00 H new ATOM 1883 N PRO A 118 -3.063 5.825 4.353 1.00 0.00 N ATOM 1884 CA PRO A 118 -1.717 6.276 4.801 1.00 0.00 C ATOM 1885 C PRO A 118 -1.413 5.852 6.236 1.00 0.00 C ATOM 1886 O PRO A 118 -2.324 5.612 7.028 1.00 0.00 O ATOM 1887 CB PRO A 118 -1.795 7.798 4.686 1.00 0.00 C ATOM 1888 CG PRO A 118 -3.238 8.138 4.863 1.00 0.00 C ATOM 1889 CD PRO A 118 -4.049 6.919 4.409 1.00 0.00 C ATOM 0 HA PRO A 118 -0.917 5.837 4.205 1.00 0.00 H new ATOM 0 HB2 PRO A 118 -1.182 8.281 5.447 1.00 0.00 H new ATOM 0 HB3 PRO A 118 -1.428 8.138 3.718 1.00 0.00 H new ATOM 0 HG2 PRO A 118 -3.452 8.377 5.905 1.00 0.00 H new ATOM 0 HG3 PRO A 118 -3.501 9.017 4.274 1.00 0.00 H new ATOM 0 HD2 PRO A 118 -4.854 6.694 5.109 1.00 0.00 H new ATOM 0 HD3 PRO A 118 -4.511 7.088 3.436 1.00 0.00 H new ATOM 1897 N VAL A 119 -0.128 5.763 6.561 1.00 0.00 N ATOM 1898 CA VAL A 119 0.285 5.370 7.904 1.00 0.00 C ATOM 1899 C VAL A 119 1.318 6.348 8.454 1.00 0.00 C ATOM 1900 O VAL A 119 1.001 7.499 8.751 1.00 0.00 O ATOM 1901 CB VAL A 119 0.879 3.961 7.878 1.00 0.00 C ATOM 1902 CG1 VAL A 119 -0.245 2.934 7.724 1.00 0.00 C ATOM 1903 CG2 VAL A 119 1.846 3.837 6.699 1.00 0.00 C ATOM 0 H VAL A 119 0.641 5.956 5.919 1.00 0.00 H new ATOM 0 HA VAL A 119 -0.592 5.382 8.551 1.00 0.00 H new ATOM 0 HB VAL A 119 1.414 3.777 8.809 1.00 0.00 H new ATOM 0 HG11 VAL A 119 0.179 1.930 7.706 1.00 0.00 H new ATOM 0 HG12 VAL A 119 -0.935 3.021 8.563 1.00 0.00 H new ATOM 0 HG13 VAL A 119 -0.781 3.118 6.793 1.00 0.00 H new ATOM 0 HG21 VAL A 119 2.270 2.833 6.680 1.00 0.00 H new ATOM 0 HG22 VAL A 119 1.310 4.023 5.768 1.00 0.00 H new ATOM 0 HG23 VAL A 119 2.648 4.567 6.808 1.00 0.00 H new ATOM 1913 N ALA A 120 2.554 5.881 8.588 1.00 0.00 N ATOM 1914 CA ALA A 120 3.628 6.721 9.103 1.00 0.00 C ATOM 1915 C ALA A 120 4.879 5.890 9.365 1.00 0.00 C ATOM 1916 O ALA A 120 5.999 6.389 9.270 1.00 0.00 O ATOM 1917 CB ALA A 120 3.183 7.403 10.399 1.00 0.00 C ATOM 0 H ALA A 120 2.836 4.930 8.349 1.00 0.00 H new ATOM 0 HA ALA A 120 3.860 7.480 8.356 1.00 0.00 H new ATOM 0 HB1 ALA A 120 3.991 8.029 10.777 1.00 0.00 H new ATOM 0 HB2 ALA A 120 2.307 8.021 10.203 1.00 0.00 H new ATOM 0 HB3 ALA A 120 2.933 6.645 11.142 1.00 0.00 H new ATOM 1923 N SER A 121 4.679 4.618 9.695 1.00 0.00 N ATOM 1924 CA SER A 121 5.798 3.725 9.968 1.00 0.00 C ATOM 1925 C SER A 121 5.447 2.292 9.579 1.00 0.00 C ATOM 1926 O SER A 121 4.344 2.020 9.105 1.00 0.00 O ATOM 1927 CB SER A 121 6.160 3.778 11.452 1.00 0.00 C ATOM 1928 OG SER A 121 6.572 2.487 11.881 1.00 0.00 O ATOM 0 H SER A 121 3.759 4.185 9.779 1.00 0.00 H new ATOM 0 HA SER A 121 6.652 4.052 9.375 1.00 0.00 H new ATOM 0 HB2 SER A 121 6.959 4.501 11.618 1.00 0.00 H new ATOM 0 HB3 SER A 121 5.302 4.111 12.036 1.00 0.00 H new ATOM 0 HG SER A 121 7.550 2.454 11.925 1.00 0.00 H new ATOM 1934 N GLN A 122 6.393 1.382 9.781 1.00 0.00 N ATOM 1935 CA GLN A 122 6.175 -0.021 9.447 1.00 0.00 C ATOM 1936 C GLN A 122 5.239 -0.674 10.459 1.00 0.00 C ATOM 1937 O GLN A 122 4.309 -1.391 10.089 1.00 0.00 O ATOM 1938 CB GLN A 122 7.510 -0.767 9.432 1.00 0.00 C ATOM 1939 CG GLN A 122 8.481 -0.098 10.407 1.00 0.00 C ATOM 1940 CD GLN A 122 9.678 -1.008 10.659 1.00 0.00 C ATOM 1941 OE1 GLN A 122 9.484 -2.279 10.883 1.00 0.00 O flip ATOM 1942 NE2 GLN A 122 10.821 -0.549 10.650 1.00 0.00 N flip ATOM 0 H GLN A 122 7.312 1.588 10.172 1.00 0.00 H new ATOM 0 HA GLN A 122 5.717 -0.072 8.459 1.00 0.00 H new ATOM 0 HB2 GLN A 122 7.359 -1.810 9.711 1.00 0.00 H new ATOM 0 HB3 GLN A 122 7.929 -0.764 8.426 1.00 0.00 H new ATOM 0 HG2 GLN A 122 8.818 0.855 10.000 1.00 0.00 H new ATOM 0 HG3 GLN A 122 7.974 0.118 11.347 1.00 0.00 H new ATOM 0 HE21 GLN A 122 10.970 0.445 10.475 1.00 0.00 H new ATOM 0 HE22 GLN A 122 11.618 -1.163 10.818 1.00 0.00 H new ATOM 1951 N MET A 123 5.493 -0.422 11.739 1.00 0.00 N ATOM 1952 CA MET A 123 4.669 -0.991 12.800 1.00 0.00 C ATOM 1953 C MET A 123 3.187 -0.851 12.464 1.00 0.00 C ATOM 1954 O MET A 123 2.407 -1.784 12.656 1.00 0.00 O ATOM 1955 CB MET A 123 4.964 -0.285 14.126 1.00 0.00 C ATOM 1956 CG MET A 123 4.523 1.176 14.038 1.00 0.00 C ATOM 1957 SD MET A 123 5.397 2.147 15.291 1.00 0.00 S ATOM 1958 CE MET A 123 4.196 3.494 15.413 1.00 0.00 C ATOM 0 H MET A 123 6.258 0.169 12.066 1.00 0.00 H new ATOM 0 HA MET A 123 4.909 -2.050 12.891 1.00 0.00 H new ATOM 0 HB2 MET A 123 4.440 -0.785 14.940 1.00 0.00 H new ATOM 0 HB3 MET A 123 6.029 -0.341 14.350 1.00 0.00 H new ATOM 0 HG2 MET A 123 4.733 1.571 13.044 1.00 0.00 H new ATOM 0 HG3 MET A 123 3.446 1.252 14.190 1.00 0.00 H new ATOM 0 HE1 MET A 123 4.541 4.224 16.146 1.00 0.00 H new ATOM 0 HE2 MET A 123 4.091 3.977 14.442 1.00 0.00 H new ATOM 0 HE3 MET A 123 3.231 3.094 15.725 1.00 0.00 H new ATOM 1968 N GLU A 124 2.806 0.319 11.963 1.00 0.00 N ATOM 1969 CA GLU A 124 1.414 0.567 11.604 1.00 0.00 C ATOM 1970 C GLU A 124 0.950 -0.425 10.542 1.00 0.00 C ATOM 1971 O GLU A 124 -0.032 -1.139 10.735 1.00 0.00 O ATOM 1972 CB GLU A 124 1.258 1.995 11.075 1.00 0.00 C ATOM 1973 CG GLU A 124 1.065 2.956 12.250 1.00 0.00 C ATOM 1974 CD GLU A 124 -0.395 2.954 12.690 1.00 0.00 C ATOM 1975 OE1 GLU A 124 -1.242 3.269 11.871 1.00 0.00 O ATOM 1976 OE2 GLU A 124 -0.644 2.637 13.842 1.00 0.00 O ATOM 0 H GLU A 124 3.435 1.105 11.797 1.00 0.00 H new ATOM 0 HA GLU A 124 0.800 0.441 12.496 1.00 0.00 H new ATOM 0 HB2 GLU A 124 2.139 2.279 10.500 1.00 0.00 H new ATOM 0 HB3 GLU A 124 0.404 2.053 10.400 1.00 0.00 H new ATOM 0 HG2 GLU A 124 1.705 2.660 13.082 1.00 0.00 H new ATOM 0 HG3 GLU A 124 1.365 3.963 11.960 1.00 0.00 H new ATOM 1983 N ALA A 125 1.668 -0.461 9.426 1.00 0.00 N ATOM 1984 CA ALA A 125 1.331 -1.367 8.336 1.00 0.00 C ATOM 1985 C ALA A 125 1.311 -2.803 8.837 1.00 0.00 C ATOM 1986 O ALA A 125 0.293 -3.484 8.751 1.00 0.00 O ATOM 1987 CB ALA A 125 2.353 -1.230 7.205 1.00 0.00 C ATOM 0 H ALA A 125 2.485 0.125 9.253 1.00 0.00 H new ATOM 0 HA ALA A 125 0.342 -1.107 7.958 1.00 0.00 H new ATOM 0 HB1 ALA A 125 2.093 -1.911 6.395 1.00 0.00 H new ATOM 0 HB2 ALA A 125 2.349 -0.205 6.833 1.00 0.00 H new ATOM 0 HB3 ALA A 125 3.346 -1.476 7.580 1.00 0.00 H new ATOM 1993 N SER A 126 2.436 -3.257 9.377 1.00 0.00 N ATOM 1994 CA SER A 126 2.508 -4.613 9.899 1.00 0.00 C ATOM 1995 C SER A 126 1.291 -4.876 10.774 1.00 0.00 C ATOM 1996 O SER A 126 0.766 -5.989 10.816 1.00 0.00 O ATOM 1997 CB SER A 126 3.787 -4.798 10.717 1.00 0.00 C ATOM 1998 OG SER A 126 4.573 -3.617 10.631 1.00 0.00 O ATOM 0 H SER A 126 3.296 -2.716 9.464 1.00 0.00 H new ATOM 0 HA SER A 126 2.522 -5.319 9.069 1.00 0.00 H new ATOM 0 HB2 SER A 126 3.540 -5.009 11.757 1.00 0.00 H new ATOM 0 HB3 SER A 126 4.351 -5.652 10.343 1.00 0.00 H new ATOM 0 HG SER A 126 4.059 -2.856 10.974 1.00 0.00 H new ATOM 2004 N CYS A 127 0.843 -3.831 11.462 1.00 0.00 N ATOM 2005 CA CYS A 127 -0.323 -3.936 12.328 1.00 0.00 C ATOM 2006 C CYS A 127 -1.600 -3.725 11.524 1.00 0.00 C ATOM 2007 O CYS A 127 -2.646 -4.290 11.844 1.00 0.00 O ATOM 2008 CB CYS A 127 -0.241 -2.894 13.446 1.00 0.00 C ATOM 2009 SG CYS A 127 -1.639 -3.110 14.576 1.00 0.00 S ATOM 0 H CYS A 127 1.269 -2.905 11.436 1.00 0.00 H new ATOM 0 HA CYS A 127 -0.341 -4.934 12.767 1.00 0.00 H new ATOM 0 HB2 CYS A 127 0.699 -3.000 13.988 1.00 0.00 H new ATOM 0 HB3 CYS A 127 -0.253 -1.889 13.023 1.00 0.00 H new ATOM 0 HG CYS A 127 -2.625 -3.673 13.943 1.00 0.00 H new ATOM 2015 N LEU A 128 -1.513 -2.908 10.475 1.00 0.00 N ATOM 2016 CA LEU A 128 -2.679 -2.637 9.637 1.00 0.00 C ATOM 2017 C LEU A 128 -2.967 -3.821 8.717 1.00 0.00 C ATOM 2018 O LEU A 128 -4.114 -4.243 8.572 1.00 0.00 O ATOM 2019 CB LEU A 128 -2.445 -1.379 8.798 1.00 0.00 C ATOM 2020 CG LEU A 128 -3.641 -0.436 8.944 1.00 0.00 C ATOM 2021 CD1 LEU A 128 -3.292 0.930 8.349 1.00 0.00 C ATOM 2022 CD2 LEU A 128 -4.845 -1.021 8.200 1.00 0.00 C ATOM 0 H LEU A 128 -0.660 -2.428 10.188 1.00 0.00 H new ATOM 0 HA LEU A 128 -3.539 -2.480 10.288 1.00 0.00 H new ATOM 0 HB2 LEU A 128 -1.532 -0.878 9.121 1.00 0.00 H new ATOM 0 HB3 LEU A 128 -2.307 -1.648 7.751 1.00 0.00 H new ATOM 0 HG LEU A 128 -3.884 -0.321 10.000 1.00 0.00 H new ATOM 0 HD11 LEU A 128 -4.145 1.601 8.453 1.00 0.00 H new ATOM 0 HD12 LEU A 128 -2.434 1.348 8.876 1.00 0.00 H new ATOM 0 HD13 LEU A 128 -3.048 0.815 7.293 1.00 0.00 H new ATOM 0 HD21 LEU A 128 -5.698 -0.350 8.303 1.00 0.00 H new ATOM 0 HD22 LEU A 128 -4.600 -1.136 7.144 1.00 0.00 H new ATOM 0 HD23 LEU A 128 -5.096 -1.994 8.622 1.00 0.00 H new ATOM 2034 N VAL A 129 -1.918 -4.350 8.096 1.00 0.00 N ATOM 2035 CA VAL A 129 -2.063 -5.483 7.191 1.00 0.00 C ATOM 2036 C VAL A 129 -2.679 -6.675 7.917 1.00 0.00 C ATOM 2037 O VAL A 129 -3.691 -7.223 7.481 1.00 0.00 O ATOM 2038 CB VAL A 129 -0.696 -5.879 6.629 1.00 0.00 C ATOM 2039 CG1 VAL A 129 -0.764 -7.299 6.068 1.00 0.00 C ATOM 2040 CG2 VAL A 129 -0.304 -4.908 5.513 1.00 0.00 C ATOM 0 H VAL A 129 -0.961 -4.013 8.203 1.00 0.00 H new ATOM 0 HA VAL A 129 -2.722 -5.189 6.374 1.00 0.00 H new ATOM 0 HB VAL A 129 0.048 -5.840 7.425 1.00 0.00 H new ATOM 0 HG11 VAL A 129 0.211 -7.579 5.668 1.00 0.00 H new ATOM 0 HG12 VAL A 129 -1.043 -7.991 6.863 1.00 0.00 H new ATOM 0 HG13 VAL A 129 -1.508 -7.341 5.273 1.00 0.00 H new ATOM 0 HG21 VAL A 129 0.670 -5.189 5.112 1.00 0.00 H new ATOM 0 HG22 VAL A 129 -1.049 -4.947 4.718 1.00 0.00 H new ATOM 0 HG23 VAL A 129 -0.253 -3.895 5.913 1.00 0.00 H new ATOM 2050 N ILE A 130 -2.059 -7.074 9.023 1.00 0.00 N ATOM 2051 CA ILE A 130 -2.555 -8.204 9.799 1.00 0.00 C ATOM 2052 C ILE A 130 -4.016 -7.993 10.181 1.00 0.00 C ATOM 2053 O ILE A 130 -4.862 -8.852 9.935 1.00 0.00 O ATOM 2054 CB ILE A 130 -1.717 -8.377 11.067 1.00 0.00 C ATOM 2055 CG1 ILE A 130 -0.269 -8.694 10.680 1.00 0.00 C ATOM 2056 CG2 ILE A 130 -2.283 -9.527 11.902 1.00 0.00 C ATOM 2057 CD1 ILE A 130 0.603 -8.703 11.937 1.00 0.00 C ATOM 0 H ILE A 130 -1.219 -6.635 9.400 1.00 0.00 H new ATOM 0 HA ILE A 130 -2.476 -9.102 9.186 1.00 0.00 H new ATOM 0 HB ILE A 130 -1.747 -7.457 11.650 1.00 0.00 H new ATOM 0 HG12 ILE A 130 -0.218 -9.662 10.182 1.00 0.00 H new ATOM 0 HG13 ILE A 130 0.101 -7.952 9.973 1.00 0.00 H new ATOM 0 HG21 ILE A 130 -1.685 -9.649 12.805 1.00 0.00 H new ATOM 0 HG22 ILE A 130 -3.314 -9.304 12.177 1.00 0.00 H new ATOM 0 HG23 ILE A 130 -2.254 -10.448 11.320 1.00 0.00 H new ATOM 0 HD11 ILE A 130 1.634 -8.928 11.663 1.00 0.00 H new ATOM 0 HD12 ILE A 130 0.561 -7.725 12.416 1.00 0.00 H new ATOM 0 HD13 ILE A 130 0.237 -9.462 12.628 1.00 0.00 H new ATOM 2069 N GLN A 131 -4.306 -6.845 10.784 1.00 0.00 N ATOM 2070 CA GLN A 131 -5.670 -6.534 11.195 1.00 0.00 C ATOM 2071 C GLN A 131 -6.643 -6.791 10.049 1.00 0.00 C ATOM 2072 O GLN A 131 -7.794 -7.167 10.271 1.00 0.00 O ATOM 2073 CB GLN A 131 -5.765 -5.070 11.630 1.00 0.00 C ATOM 2074 CG GLN A 131 -7.179 -4.779 12.135 1.00 0.00 C ATOM 2075 CD GLN A 131 -7.187 -4.724 13.659 1.00 0.00 C ATOM 2076 OE1 GLN A 131 -7.004 -5.746 14.319 1.00 0.00 O ATOM 2077 NE2 GLN A 131 -7.390 -3.583 14.260 1.00 0.00 N ATOM 0 H GLN A 131 -3.621 -6.120 10.998 1.00 0.00 H new ATOM 0 HA GLN A 131 -5.934 -7.178 12.034 1.00 0.00 H new ATOM 0 HB2 GLN A 131 -5.037 -4.865 12.415 1.00 0.00 H new ATOM 0 HB3 GLN A 131 -5.524 -4.414 10.793 1.00 0.00 H new ATOM 0 HG2 GLN A 131 -7.532 -3.832 11.727 1.00 0.00 H new ATOM 0 HG3 GLN A 131 -7.865 -5.552 11.787 1.00 0.00 H new ATOM 0 HE21 GLN A 131 -7.541 -2.737 13.711 1.00 0.00 H new ATOM 0 HE22 GLN A 131 -7.397 -3.537 15.279 1.00 0.00 H new ATOM 2086 N LEU A 132 -6.171 -6.588 8.824 1.00 0.00 N ATOM 2087 CA LEU A 132 -7.008 -6.802 7.649 1.00 0.00 C ATOM 2088 C LEU A 132 -7.450 -8.260 7.567 1.00 0.00 C ATOM 2089 O LEU A 132 -8.641 -8.563 7.639 1.00 0.00 O ATOM 2090 CB LEU A 132 -6.236 -6.429 6.382 1.00 0.00 C ATOM 2091 CG LEU A 132 -7.221 -6.200 5.234 1.00 0.00 C ATOM 2092 CD1 LEU A 132 -7.437 -4.698 5.039 1.00 0.00 C ATOM 2093 CD2 LEU A 132 -6.653 -6.803 3.948 1.00 0.00 C ATOM 0 H LEU A 132 -5.221 -6.278 8.619 1.00 0.00 H new ATOM 0 HA LEU A 132 -7.891 -6.169 7.734 1.00 0.00 H new ATOM 0 HB2 LEU A 132 -5.646 -5.529 6.554 1.00 0.00 H new ATOM 0 HB3 LEU A 132 -5.536 -7.224 6.122 1.00 0.00 H new ATOM 0 HG LEU A 132 -8.172 -6.677 5.471 1.00 0.00 H new ATOM 0 HD11 LEU A 132 -8.139 -4.534 4.221 1.00 0.00 H new ATOM 0 HD12 LEU A 132 -7.840 -4.266 5.955 1.00 0.00 H new ATOM 0 HD13 LEU A 132 -6.486 -4.221 4.802 1.00 0.00 H new ATOM 0 HD21 LEU A 132 -7.354 -6.640 3.129 1.00 0.00 H new ATOM 0 HD22 LEU A 132 -5.702 -6.326 3.712 1.00 0.00 H new ATOM 0 HD23 LEU A 132 -6.498 -7.873 4.086 1.00 0.00 H new ATOM 2105 N VAL A 133 -6.482 -9.158 7.418 1.00 0.00 N ATOM 2106 CA VAL A 133 -6.783 -10.582 7.330 1.00 0.00 C ATOM 2107 C VAL A 133 -7.298 -11.103 8.668 1.00 0.00 C ATOM 2108 O VAL A 133 -8.185 -11.955 8.715 1.00 0.00 O ATOM 2109 CB VAL A 133 -5.528 -11.357 6.927 1.00 0.00 C ATOM 2110 CG1 VAL A 133 -5.892 -12.821 6.669 1.00 0.00 C ATOM 2111 CG2 VAL A 133 -4.939 -10.746 5.653 1.00 0.00 C ATOM 0 H VAL A 133 -5.490 -8.928 7.356 1.00 0.00 H new ATOM 0 HA VAL A 133 -7.556 -10.726 6.575 1.00 0.00 H new ATOM 0 HB VAL A 133 -4.794 -11.302 7.731 1.00 0.00 H new ATOM 0 HG11 VAL A 133 -4.997 -13.373 6.382 1.00 0.00 H new ATOM 0 HG12 VAL A 133 -6.312 -13.257 7.576 1.00 0.00 H new ATOM 0 HG13 VAL A 133 -6.627 -12.877 5.866 1.00 0.00 H new ATOM 0 HG21 VAL A 133 -4.044 -11.298 5.365 1.00 0.00 H new ATOM 0 HG22 VAL A 133 -5.674 -10.801 4.850 1.00 0.00 H new ATOM 0 HG23 VAL A 133 -4.679 -9.703 5.836 1.00 0.00 H new ATOM 2121 N GLN A 134 -6.735 -10.584 9.755 1.00 0.00 N ATOM 2122 CA GLN A 134 -7.146 -11.002 11.090 1.00 0.00 C ATOM 2123 C GLN A 134 -8.636 -10.749 11.295 1.00 0.00 C ATOM 2124 O GLN A 134 -9.308 -11.486 12.018 1.00 0.00 O ATOM 2125 CB GLN A 134 -6.345 -10.240 12.147 1.00 0.00 C ATOM 2126 CG GLN A 134 -6.496 -10.935 13.500 1.00 0.00 C ATOM 2127 CD GLN A 134 -5.644 -10.227 14.549 1.00 0.00 C ATOM 2128 OE1 GLN A 134 -6.151 -9.401 15.307 1.00 0.00 O ATOM 2129 NE2 GLN A 134 -4.372 -10.505 14.638 1.00 0.00 N ATOM 0 H GLN A 134 -5.998 -9.879 9.738 1.00 0.00 H new ATOM 0 HA GLN A 134 -6.953 -12.070 11.191 1.00 0.00 H new ATOM 0 HB2 GLN A 134 -5.294 -10.199 11.862 1.00 0.00 H new ATOM 0 HB3 GLN A 134 -6.697 -9.211 12.214 1.00 0.00 H new ATOM 0 HG2 GLN A 134 -7.542 -10.930 13.806 1.00 0.00 H new ATOM 0 HG3 GLN A 134 -6.193 -11.979 13.418 1.00 0.00 H new ATOM 0 HE21 GLN A 134 -3.954 -11.190 14.008 1.00 0.00 H new ATOM 0 HE22 GLN A 134 -3.795 -10.037 15.337 1.00 0.00 H new ATOM 2138 N GLU A 135 -9.148 -9.702 10.656 1.00 0.00 N ATOM 2139 CA GLU A 135 -10.561 -9.361 10.777 1.00 0.00 C ATOM 2140 C GLU A 135 -11.432 -10.475 10.204 1.00 0.00 C ATOM 2141 O GLU A 135 -12.306 -11.007 10.888 1.00 0.00 O ATOM 2142 CB GLU A 135 -10.849 -8.052 10.040 1.00 0.00 C ATOM 2143 CG GLU A 135 -10.613 -6.871 10.984 1.00 0.00 C ATOM 2144 CD GLU A 135 -10.603 -5.567 10.194 1.00 0.00 C ATOM 2145 OE1 GLU A 135 -10.979 -5.596 9.034 1.00 0.00 O ATOM 2146 OE2 GLU A 135 -10.217 -4.557 10.761 1.00 0.00 O ATOM 0 H GLU A 135 -8.610 -9.079 10.053 1.00 0.00 H new ATOM 0 HA GLU A 135 -10.797 -9.239 11.834 1.00 0.00 H new ATOM 0 HB2 GLU A 135 -10.205 -7.966 9.165 1.00 0.00 H new ATOM 0 HB3 GLU A 135 -11.878 -8.044 9.680 1.00 0.00 H new ATOM 0 HG2 GLU A 135 -11.394 -6.840 11.743 1.00 0.00 H new ATOM 0 HG3 GLU A 135 -9.665 -6.996 11.507 1.00 0.00 H new ATOM 2153 N GLN A 136 -11.186 -10.822 8.944 1.00 0.00 N ATOM 2154 CA GLN A 136 -11.954 -11.876 8.290 1.00 0.00 C ATOM 2155 C GLN A 136 -12.030 -13.113 9.178 1.00 0.00 C ATOM 2156 O GLN A 136 -13.063 -13.779 9.248 1.00 0.00 O ATOM 2157 CB GLN A 136 -11.306 -12.244 6.953 1.00 0.00 C ATOM 2158 CG GLN A 136 -12.394 -12.481 5.906 1.00 0.00 C ATOM 2159 CD GLN A 136 -13.007 -11.152 5.478 1.00 0.00 C ATOM 2160 OE1 GLN A 136 -12.316 -10.298 4.921 1.00 0.00 O ATOM 2161 NE2 GLN A 136 -14.271 -10.924 5.706 1.00 0.00 N ATOM 0 H GLN A 136 -10.468 -10.393 8.360 1.00 0.00 H new ATOM 0 HA GLN A 136 -12.964 -11.506 8.114 1.00 0.00 H new ATOM 0 HB2 GLN A 136 -10.641 -11.444 6.627 1.00 0.00 H new ATOM 0 HB3 GLN A 136 -10.695 -13.140 7.067 1.00 0.00 H new ATOM 0 HG2 GLN A 136 -11.972 -12.991 5.040 1.00 0.00 H new ATOM 0 HG3 GLN A 136 -13.167 -13.132 6.314 1.00 0.00 H new ATOM 0 HE21 GLN A 136 -14.842 -11.632 6.167 1.00 0.00 H new ATOM 0 HE22 GLN A 136 -14.688 -10.037 5.423 1.00 0.00 H new ATOM 2170 N THR A 137 -10.927 -13.413 9.858 1.00 0.00 N ATOM 2171 CA THR A 137 -10.878 -14.572 10.743 1.00 0.00 C ATOM 2172 C THR A 137 -11.572 -15.770 10.103 1.00 0.00 C ATOM 2173 O THR A 137 -12.140 -16.612 10.798 1.00 0.00 O ATOM 2174 CB THR A 137 -11.553 -14.238 12.075 1.00 0.00 C ATOM 2175 OG1 THR A 137 -11.009 -13.031 12.590 1.00 0.00 O ATOM 2176 CG2 THR A 137 -11.313 -15.374 13.070 1.00 0.00 C ATOM 0 H THR A 137 -10.062 -12.874 9.814 1.00 0.00 H new ATOM 0 HA THR A 137 -9.833 -14.827 10.918 1.00 0.00 H new ATOM 0 HB THR A 137 -12.625 -14.116 11.919 1.00 0.00 H new ATOM 0 HG1 THR A 137 -10.155 -12.842 12.147 1.00 0.00 H new ATOM 0 HG21 THR A 137 -11.794 -15.135 14.018 1.00 0.00 H new ATOM 0 HG22 THR A 137 -11.732 -16.299 12.674 1.00 0.00 H new ATOM 0 HG23 THR A 137 -10.242 -15.499 13.228 1.00 0.00 H new ATOM 2184 N LYS A 138 -11.522 -15.841 8.778 1.00 0.00 N ATOM 2185 CA LYS A 138 -12.149 -16.943 8.057 1.00 0.00 C ATOM 2186 C LYS A 138 -11.192 -18.126 7.950 1.00 0.00 C ATOM 2187 O LYS A 138 -10.079 -17.991 7.440 1.00 0.00 O ATOM 2188 CB LYS A 138 -12.558 -16.485 6.655 1.00 0.00 C ATOM 2189 CG LYS A 138 -14.081 -16.363 6.578 1.00 0.00 C ATOM 2190 CD LYS A 138 -14.495 -16.051 5.139 1.00 0.00 C ATOM 2191 CE LYS A 138 -15.964 -15.628 5.109 1.00 0.00 C ATOM 2192 NZ LYS A 138 -16.052 -14.142 5.016 1.00 0.00 N ATOM 0 H LYS A 138 -11.057 -15.154 8.184 1.00 0.00 H new ATOM 0 HA LYS A 138 -13.035 -17.256 8.609 1.00 0.00 H new ATOM 0 HB2 LYS A 138 -12.094 -15.526 6.425 1.00 0.00 H new ATOM 0 HB3 LYS A 138 -12.202 -17.197 5.911 1.00 0.00 H new ATOM 0 HG2 LYS A 138 -14.548 -17.290 6.909 1.00 0.00 H new ATOM 0 HG3 LYS A 138 -14.428 -15.575 7.247 1.00 0.00 H new ATOM 0 HD2 LYS A 138 -13.869 -15.256 4.734 1.00 0.00 H new ATOM 0 HD3 LYS A 138 -14.345 -16.927 4.509 1.00 0.00 H new ATOM 0 HE2 LYS A 138 -16.468 -16.087 4.258 1.00 0.00 H new ATOM 0 HE3 LYS A 138 -16.473 -15.978 6.008 1.00 0.00 H new ATOM 0 HZ1 LYS A 138 -17.051 -13.854 4.996 1.00 0.00 H new ATOM 0 HZ2 LYS A 138 -15.585 -13.714 5.841 1.00 0.00 H new ATOM 0 HZ3 LYS A 138 -15.581 -13.820 4.146 1.00 0.00 H new ATOM 2206 N GLU A 139 -11.631 -19.282 8.435 1.00 0.00 N ATOM 2207 CA GLU A 139 -10.802 -20.481 8.388 1.00 0.00 C ATOM 2208 C GLU A 139 -11.673 -21.733 8.352 1.00 0.00 C ATOM 2209 O GLU A 139 -11.219 -22.804 7.949 1.00 0.00 O ATOM 2210 CB GLU A 139 -9.885 -20.531 9.612 1.00 0.00 C ATOM 2211 CG GLU A 139 -10.731 -20.653 10.879 1.00 0.00 C ATOM 2212 CD GLU A 139 -10.242 -19.660 11.928 1.00 0.00 C ATOM 2213 OE1 GLU A 139 -9.047 -19.627 12.171 1.00 0.00 O ATOM 2214 OE2 GLU A 139 -11.070 -18.948 12.472 1.00 0.00 O ATOM 0 H GLU A 139 -12.548 -19.414 8.862 1.00 0.00 H new ATOM 0 HA GLU A 139 -10.197 -20.446 7.482 1.00 0.00 H new ATOM 0 HB2 GLU A 139 -9.203 -21.378 9.534 1.00 0.00 H new ATOM 0 HB3 GLU A 139 -9.272 -19.631 9.657 1.00 0.00 H new ATOM 0 HG2 GLU A 139 -11.779 -20.463 10.647 1.00 0.00 H new ATOM 0 HG3 GLU A 139 -10.670 -21.668 11.271 1.00 0.00 H new TER 2221 GLU A 139