USER MOD reduce.3.24.130724 H: found=0, std=0, add=1035, rem=0, adj=28 USER MOD reduce.3.24.130724 removed 1037 hydrogens (0 hets) USER MOD ----------------------------------------------------------------- USER MOD scores for adjustable sidechains, with "set" totals for H,N and Q USER MOD "o" means original, "f" means flipped, "180deg" is methyl default USER MOD "!" flags a clash with an overlap of 0.40A or greater USER MOD flip categories: "K"=keep, "C"=clashes, "X"=uncertain, "F"=flip USER MOD Set 1.1: A 115 GLN : amide:sc= -2.12! C(o=-1.3!,f=-17!) USER MOD Set 1.2: A 117 TYR OH : rot 130:sc= 0.779 USER MOD Set 2.1: A 21 MET CE :methyl -155:sc= -0.0126 (180deg=-1.05) USER MOD Set 2.2: A 76 THR OG1 : rot 150:sc= -0.626 USER MOD Single : A 4 SER OG : rot 76:sc= 0.775 USER MOD Single : A 5 THR OG1 : rot 180:sc= 0 USER MOD Single : A 7 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 11 SER OG : rot 70:sc= 0.868 USER MOD Single : A 13 ASN : amide:sc= 0.0102 X(o=0.01,f=-0.011) USER MOD Single : A 14 TYR OH : rot -25:sc= -5.16! USER MOD Single : A 16 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 18 MET CE :methyl 167:sc= -0.282 (180deg=-0.674) USER MOD Single : A 20 LYS NZ :NH3+ -168:sc= 0 (180deg=-0.0555) USER MOD Single : A 24 ASN : amide:sc= -3.11! C(o=-3.1!,f=-2.9!) USER MOD Single : A 27 LYS NZ :NH3+ 159:sc= -0.0276 (180deg=-0.31) USER MOD Single : A 29 LYS NZ :NH3+ -160:sc= 0 (180deg=-0.551) USER MOD Single : A 33 HIS : no HD1:sc= -2.61! C(o=-2.6!,f=-1.7!) USER MOD Single : A 35 ASN : amide:sc= -0.0895 K(o=-0.09,f=-1.3!) USER MOD Single : A 37 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 39 THR OG1 : rot 180:sc= 0 USER MOD Single : A 41 THR OG1 : rot 180:sc= 0 USER MOD Single : A 42 GLN : amide:sc= -1.22 K(o=-1.2,f=-3.8!) USER MOD Single : A 45 ASN : amide:sc= -0.248! C(o=-0.25!,f=-6.2!) USER MOD Single : A 46 LYS NZ :NH3+ -143:sc= 0 (180deg=-0.0306) USER MOD Single : A 48 THR OG1 : rot -12:sc= -0.142! USER MOD Single : A 50 LYS NZ :NH3+ 158:sc= -0.118 (180deg=-0.723) USER MOD Single : A 52 SER OG : rot -37:sc= -0.245! USER MOD Single : A 53 SER OG : rot 83:sc= -0.247 USER MOD Single : A 57 ASN : amide:sc= -0.153 X(o=-0.15,f=-0.24) USER MOD Single : A 67 THR OG1 : rot 180:sc= 0.0915 USER MOD Single : A 69 ASN : amide:sc= -2.01! K(o=-2!,f=-0.075) USER MOD Single : A 71 ASN : amide:sc= -0.692 K(o=-0.69,f=-1.9!) USER MOD Single : A 81 THR OG1 : rot -88:sc= -1.47! USER MOD Single : A 83 SER OG : rot 180:sc= 0 USER MOD Single : A 87 ASN : amide:sc= 0.335 K(o=0.33,f=-0.45) USER MOD Single : A 88 LYS NZ :NH3+ 156:sc= -0.0253 (180deg=-0.305) USER MOD Single : A 92 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 94 LYS NZ :NH3+ -126:sc= -3.89 (180deg=-6.11!) USER MOD Single : A 96 THR OG1 : rot -120:sc= -4.87! USER MOD Single : A 98 ASN : amide:sc= -0.359 K(o=-0.36,f=-2.2!) USER MOD Single : A 100 ASN : amide:sc= -0.898 K(o=-0.9,f=-0.16) USER MOD Single : A 103 ASN : amide:sc= -0.417 K(o=-0.42,f=-4.5!) USER MOD Single : A 104 THR OG1 : rot 60:sc= -0.188 USER MOD Single : A 116 THR OG1 : rot 180:sc= 0 USER MOD Single : A 119 TYR OH : rot -37:sc= -4.23! USER MOD Single : A 125 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 129 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 130 LYS NZ :NH3+ 169:sc= -3.39 (180deg=-3.52) USER MOD ----------------------------------------------------------------- ATOM 33 N ASP A 3 114.373 7.208 -9.925 1.00 0.00 N ATOM 34 CA ASP A 3 113.615 8.408 -10.382 1.00 0.00 C ATOM 35 C ASP A 3 112.898 8.092 -11.696 1.00 0.00 C ATOM 36 O ASP A 3 113.457 8.223 -12.766 1.00 0.00 O ATOM 37 CB ASP A 3 114.587 9.571 -10.599 1.00 0.00 C ATOM 38 CG ASP A 3 115.608 9.191 -11.673 1.00 0.00 C ATOM 39 OD1 ASP A 3 115.900 10.032 -12.507 1.00 0.00 O ATOM 40 OD2 ASP A 3 116.080 8.066 -11.643 1.00 0.00 O ATOM 0 HA ASP A 3 112.880 8.682 -9.625 1.00 0.00 H new ATOM 0 HB2 ASP A 3 114.040 10.464 -10.902 1.00 0.00 H new ATOM 0 HB3 ASP A 3 115.097 9.811 -9.666 1.00 0.00 H new ATOM 45 N SER A 4 111.660 7.680 -11.625 1.00 0.00 N ATOM 46 CA SER A 4 110.909 7.359 -12.872 1.00 0.00 C ATOM 47 C SER A 4 109.681 6.509 -12.530 1.00 0.00 C ATOM 48 O SER A 4 109.291 6.392 -11.382 1.00 0.00 O ATOM 49 CB SER A 4 111.818 6.585 -13.830 1.00 0.00 C ATOM 50 OG SER A 4 112.458 7.498 -14.711 1.00 0.00 O ATOM 0 H SER A 4 111.138 7.552 -10.758 1.00 0.00 H new ATOM 0 HA SER A 4 110.585 8.285 -13.347 1.00 0.00 H new ATOM 0 HB2 SER A 4 112.563 6.022 -13.268 1.00 0.00 H new ATOM 0 HB3 SER A 4 111.234 5.862 -14.399 1.00 0.00 H new ATOM 0 HG SER A 4 113.184 7.956 -14.237 1.00 0.00 H new ATOM 56 N THR A 5 109.068 5.916 -13.521 1.00 0.00 N ATOM 57 CA THR A 5 107.867 5.073 -13.260 1.00 0.00 C ATOM 58 C THR A 5 108.304 3.626 -13.027 1.00 0.00 C ATOM 59 O THR A 5 109.276 3.163 -13.589 1.00 0.00 O ATOM 60 CB THR A 5 106.925 5.138 -14.464 1.00 0.00 C ATOM 61 OG1 THR A 5 106.391 6.449 -14.576 1.00 0.00 O ATOM 62 CG2 THR A 5 105.785 4.135 -14.276 1.00 0.00 C ATOM 0 H THR A 5 109.348 5.980 -14.500 1.00 0.00 H new ATOM 0 HA THR A 5 107.347 5.442 -12.376 1.00 0.00 H new ATOM 0 HB THR A 5 107.477 4.892 -15.371 1.00 0.00 H new ATOM 0 HG1 THR A 5 105.789 6.492 -15.348 1.00 0.00 H new ATOM 0 HG21 THR A 5 105.114 4.182 -15.134 1.00 0.00 H new ATOM 0 HG22 THR A 5 106.196 3.129 -14.191 1.00 0.00 H new ATOM 0 HG23 THR A 5 105.232 4.379 -13.369 1.00 0.00 H new ATOM 70 N TRP A 6 107.601 2.914 -12.191 1.00 0.00 N ATOM 71 CA TRP A 6 107.983 1.503 -11.908 1.00 0.00 C ATOM 72 C TRP A 6 106.738 0.700 -11.524 1.00 0.00 C ATOM 73 O TRP A 6 105.682 1.254 -11.298 1.00 0.00 O ATOM 74 CB TRP A 6 108.977 1.479 -10.755 1.00 0.00 C ATOM 75 CG TRP A 6 110.036 2.510 -10.984 1.00 0.00 C ATOM 76 CD1 TRP A 6 109.892 3.838 -10.770 1.00 0.00 C ATOM 77 CD2 TRP A 6 111.397 2.319 -11.463 1.00 0.00 C ATOM 78 NE1 TRP A 6 111.083 4.472 -11.079 1.00 0.00 N ATOM 79 CE2 TRP A 6 112.042 3.578 -11.512 1.00 0.00 C ATOM 80 CE3 TRP A 6 112.129 1.186 -11.852 1.00 0.00 C ATOM 81 CZ2 TRP A 6 113.367 3.703 -11.932 1.00 0.00 C ATOM 82 CZ3 TRP A 6 113.459 1.306 -12.273 1.00 0.00 C ATOM 83 CH2 TRP A 6 114.079 2.564 -12.314 1.00 0.00 C ATOM 0 H TRP A 6 106.777 3.249 -11.691 1.00 0.00 H new ATOM 0 HA TRP A 6 108.436 1.061 -12.796 1.00 0.00 H new ATOM 0 HB2 TRP A 6 108.463 1.674 -9.814 1.00 0.00 H new ATOM 0 HB3 TRP A 6 109.429 0.491 -10.672 1.00 0.00 H new ATOM 0 HD1 TRP A 6 108.995 4.324 -10.416 1.00 0.00 H new ATOM 0 HE1 TRP A 6 111.234 5.477 -10.997 1.00 0.00 H new ATOM 0 HE3 TRP A 6 111.662 0.213 -11.826 1.00 0.00 H new ATOM 0 HZ2 TRP A 6 113.839 4.674 -11.961 1.00 0.00 H new ATOM 0 HZ3 TRP A 6 114.011 0.426 -12.568 1.00 0.00 H new ATOM 0 HH2 TRP A 6 115.105 2.651 -12.640 1.00 0.00 H new ATOM 94 N LYS A 7 106.846 -0.601 -11.450 1.00 0.00 N ATOM 95 CA LYS A 7 105.661 -1.419 -11.082 1.00 0.00 C ATOM 96 C LYS A 7 106.115 -2.719 -10.427 1.00 0.00 C ATOM 97 O LYS A 7 106.920 -3.448 -10.971 1.00 0.00 O ATOM 98 CB LYS A 7 104.850 -1.734 -12.340 1.00 0.00 C ATOM 99 CG LYS A 7 105.581 -2.792 -13.170 1.00 0.00 C ATOM 100 CD LYS A 7 105.001 -2.819 -14.586 1.00 0.00 C ATOM 101 CE LYS A 7 105.517 -4.054 -15.327 1.00 0.00 C ATOM 102 NZ LYS A 7 104.703 -4.271 -16.557 1.00 0.00 N ATOM 0 H LYS A 7 107.701 -1.127 -11.628 1.00 0.00 H new ATOM 0 HA LYS A 7 105.041 -0.862 -10.379 1.00 0.00 H new ATOM 0 HB2 LYS A 7 103.859 -2.094 -12.065 1.00 0.00 H new ATOM 0 HB3 LYS A 7 104.708 -0.828 -12.930 1.00 0.00 H new ATOM 0 HG2 LYS A 7 106.647 -2.568 -13.206 1.00 0.00 H new ATOM 0 HG3 LYS A 7 105.476 -3.772 -12.704 1.00 0.00 H new ATOM 0 HD2 LYS A 7 103.912 -2.836 -14.544 1.00 0.00 H new ATOM 0 HD3 LYS A 7 105.285 -1.914 -15.124 1.00 0.00 H new ATOM 0 HE2 LYS A 7 106.566 -3.921 -15.591 1.00 0.00 H new ATOM 0 HE3 LYS A 7 105.459 -4.930 -14.681 1.00 0.00 H new ATOM 0 HZ1 LYS A 7 105.053 -5.110 -17.061 1.00 0.00 H new ATOM 0 HZ2 LYS A 7 103.707 -4.416 -16.293 1.00 0.00 H new ATOM 0 HZ3 LYS A 7 104.780 -3.438 -17.176 1.00 0.00 H new ATOM 116 N VAL A 8 105.605 -3.018 -9.262 1.00 0.00 N ATOM 117 CA VAL A 8 106.008 -4.273 -8.577 1.00 0.00 C ATOM 118 C VAL A 8 106.210 -5.375 -9.614 1.00 0.00 C ATOM 119 O VAL A 8 105.270 -5.913 -10.165 1.00 0.00 O ATOM 120 CB VAL A 8 104.927 -4.674 -7.565 1.00 0.00 C ATOM 121 CG1 VAL A 8 103.572 -4.131 -8.023 1.00 0.00 C ATOM 122 CG2 VAL A 8 104.854 -6.202 -7.446 1.00 0.00 C ATOM 0 H VAL A 8 104.927 -2.446 -8.758 1.00 0.00 H new ATOM 0 HA VAL A 8 106.946 -4.119 -8.043 1.00 0.00 H new ATOM 0 HB VAL A 8 105.180 -4.255 -6.591 1.00 0.00 H new ATOM 0 HG11 VAL A 8 102.804 -4.416 -7.304 1.00 0.00 H new ATOM 0 HG12 VAL A 8 103.620 -3.044 -8.091 1.00 0.00 H new ATOM 0 HG13 VAL A 8 103.326 -4.545 -9.001 1.00 0.00 H new ATOM 0 HG21 VAL A 8 104.083 -6.474 -6.725 1.00 0.00 H new ATOM 0 HG22 VAL A 8 104.610 -6.631 -8.418 1.00 0.00 H new ATOM 0 HG23 VAL A 8 105.817 -6.587 -7.111 1.00 0.00 H new ATOM 132 N ASP A 9 107.440 -5.717 -9.872 1.00 0.00 N ATOM 133 CA ASP A 9 107.725 -6.788 -10.857 1.00 0.00 C ATOM 134 C ASP A 9 107.790 -8.112 -10.106 1.00 0.00 C ATOM 135 O ASP A 9 107.475 -9.158 -10.637 1.00 0.00 O ATOM 136 CB ASP A 9 109.065 -6.517 -11.543 1.00 0.00 C ATOM 137 CG ASP A 9 109.131 -7.295 -12.859 1.00 0.00 C ATOM 138 OD1 ASP A 9 110.009 -8.132 -12.986 1.00 0.00 O ATOM 139 OD2 ASP A 9 108.303 -7.039 -13.717 1.00 0.00 O ATOM 0 H ASP A 9 108.263 -5.297 -9.439 1.00 0.00 H new ATOM 0 HA ASP A 9 106.945 -6.821 -11.618 1.00 0.00 H new ATOM 0 HB2 ASP A 9 109.179 -5.450 -11.733 1.00 0.00 H new ATOM 0 HB3 ASP A 9 109.886 -6.814 -10.891 1.00 0.00 H new ATOM 144 N ARG A 10 108.187 -8.070 -8.862 1.00 0.00 N ATOM 145 CA ARG A 10 108.260 -9.335 -8.072 1.00 0.00 C ATOM 146 C ARG A 10 108.044 -9.043 -6.583 1.00 0.00 C ATOM 147 O ARG A 10 108.081 -7.909 -6.150 1.00 0.00 O ATOM 148 CB ARG A 10 109.625 -9.997 -8.274 1.00 0.00 C ATOM 149 CG ARG A 10 109.829 -10.307 -9.757 1.00 0.00 C ATOM 150 CD ARG A 10 111.060 -11.198 -9.929 1.00 0.00 C ATOM 151 NE ARG A 10 112.141 -10.731 -9.016 1.00 0.00 N ATOM 152 CZ ARG A 10 112.854 -9.685 -9.330 1.00 0.00 C ATOM 153 NH1 ARG A 10 113.799 -9.274 -8.529 1.00 0.00 N ATOM 154 NH2 ARG A 10 112.623 -9.049 -10.446 1.00 0.00 N ATOM 0 H ARG A 10 108.461 -7.224 -8.362 1.00 0.00 H new ATOM 0 HA ARG A 10 107.477 -10.010 -8.418 1.00 0.00 H new ATOM 0 HB2 ARG A 10 110.417 -9.338 -7.917 1.00 0.00 H new ATOM 0 HB3 ARG A 10 109.686 -10.914 -7.688 1.00 0.00 H new ATOM 0 HG2 ARG A 10 108.947 -10.806 -10.160 1.00 0.00 H new ATOM 0 HG3 ARG A 10 109.956 -9.381 -10.319 1.00 0.00 H new ATOM 0 HD2 ARG A 10 110.806 -12.235 -9.709 1.00 0.00 H new ATOM 0 HD3 ARG A 10 111.403 -11.167 -10.963 1.00 0.00 H new ATOM 0 HE ARG A 10 112.323 -11.230 -8.145 1.00 0.00 H new ATOM 0 HH11 ARG A 10 113.980 -9.771 -7.657 1.00 0.00 H new ATOM 0 HH12 ARG A 10 114.356 -8.456 -8.775 1.00 0.00 H new ATOM 0 HH21 ARG A 10 111.885 -9.370 -11.073 1.00 0.00 H new ATOM 0 HH22 ARG A 10 113.181 -8.231 -10.692 1.00 0.00 H new ATOM 168 N SER A 11 107.814 -10.065 -5.802 1.00 0.00 N ATOM 169 CA SER A 11 107.590 -9.867 -4.338 1.00 0.00 C ATOM 170 C SER A 11 107.418 -11.234 -3.668 1.00 0.00 C ATOM 171 O SER A 11 107.233 -12.235 -4.331 1.00 0.00 O ATOM 172 CB SER A 11 106.328 -9.030 -4.124 1.00 0.00 C ATOM 173 OG SER A 11 106.035 -8.972 -2.734 1.00 0.00 O ATOM 0 H SER A 11 107.771 -11.034 -6.116 1.00 0.00 H new ATOM 0 HA SER A 11 108.444 -9.349 -3.901 1.00 0.00 H new ATOM 0 HB2 SER A 11 106.473 -8.025 -4.519 1.00 0.00 H new ATOM 0 HB3 SER A 11 105.490 -9.468 -4.666 1.00 0.00 H new ATOM 0 HG SER A 11 106.710 -8.426 -2.280 1.00 0.00 H new ATOM 179 N GLU A 12 107.481 -11.292 -2.363 1.00 0.00 N ATOM 180 CA GLU A 12 107.323 -12.608 -1.678 1.00 0.00 C ATOM 181 C GLU A 12 107.102 -12.406 -0.174 1.00 0.00 C ATOM 182 O GLU A 12 107.320 -11.337 0.362 1.00 0.00 O ATOM 183 CB GLU A 12 108.585 -13.446 -1.895 1.00 0.00 C ATOM 184 CG GLU A 12 109.817 -12.616 -1.529 1.00 0.00 C ATOM 185 CD GLU A 12 111.076 -13.470 -1.694 1.00 0.00 C ATOM 186 OE1 GLU A 12 111.472 -13.694 -2.825 1.00 0.00 O ATOM 187 OE2 GLU A 12 111.620 -13.888 -0.685 1.00 0.00 O ATOM 0 H GLU A 12 107.634 -10.493 -1.748 1.00 0.00 H new ATOM 0 HA GLU A 12 106.457 -13.121 -2.096 1.00 0.00 H new ATOM 0 HB2 GLU A 12 108.546 -14.347 -1.283 1.00 0.00 H new ATOM 0 HB3 GLU A 12 108.646 -13.769 -2.934 1.00 0.00 H new ATOM 0 HG2 GLU A 12 109.877 -11.734 -2.167 1.00 0.00 H new ATOM 0 HG3 GLU A 12 109.737 -12.261 -0.501 1.00 0.00 H new ATOM 194 N ASN A 13 106.674 -13.439 0.506 1.00 0.00 N ATOM 195 CA ASN A 13 106.437 -13.340 1.978 1.00 0.00 C ATOM 196 C ASN A 13 105.403 -12.251 2.276 1.00 0.00 C ATOM 197 O ASN A 13 105.338 -11.730 3.372 1.00 0.00 O ATOM 198 CB ASN A 13 107.749 -12.999 2.689 1.00 0.00 C ATOM 199 CG ASN A 13 108.440 -14.285 3.143 1.00 0.00 C ATOM 200 OD1 ASN A 13 108.640 -15.193 2.361 1.00 0.00 O ATOM 201 ND2 ASN A 13 108.815 -14.400 4.388 1.00 0.00 N ATOM 0 H ASN A 13 106.477 -14.354 0.101 1.00 0.00 H new ATOM 0 HA ASN A 13 106.061 -14.298 2.338 1.00 0.00 H new ATOM 0 HB2 ASN A 13 108.403 -12.441 2.018 1.00 0.00 H new ATOM 0 HB3 ASN A 13 107.552 -12.358 3.548 1.00 0.00 H new ATOM 0 HD21 ASN A 13 109.276 -15.253 4.705 1.00 0.00 H new ATOM 0 HD22 ASN A 13 108.647 -13.637 5.044 1.00 0.00 H new ATOM 208 N TYR A 14 104.593 -11.902 1.317 1.00 0.00 N ATOM 209 CA TYR A 14 103.569 -10.849 1.560 1.00 0.00 C ATOM 210 C TYR A 14 102.462 -11.407 2.453 1.00 0.00 C ATOM 211 O TYR A 14 102.181 -10.876 3.507 1.00 0.00 O ATOM 212 CB TYR A 14 102.980 -10.393 0.218 1.00 0.00 C ATOM 213 CG TYR A 14 103.135 -8.897 0.062 1.00 0.00 C ATOM 214 CD1 TYR A 14 104.326 -8.269 0.449 1.00 0.00 C ATOM 215 CD2 TYR A 14 102.087 -8.140 -0.474 1.00 0.00 C ATOM 216 CE1 TYR A 14 104.468 -6.885 0.302 1.00 0.00 C ATOM 217 CE2 TYR A 14 102.229 -6.755 -0.621 1.00 0.00 C ATOM 218 CZ TYR A 14 103.418 -6.128 -0.234 1.00 0.00 C ATOM 219 OH TYR A 14 103.557 -4.762 -0.379 1.00 0.00 O ATOM 0 H TYR A 14 104.595 -12.299 0.377 1.00 0.00 H new ATOM 0 HA TYR A 14 104.031 -9.997 2.058 1.00 0.00 H new ATOM 0 HB2 TYR A 14 103.484 -10.906 -0.602 1.00 0.00 H new ATOM 0 HB3 TYR A 14 101.926 -10.664 0.164 1.00 0.00 H new ATOM 0 HD1 TYR A 14 105.135 -8.854 0.861 1.00 0.00 H new ATOM 0 HD2 TYR A 14 101.169 -8.624 -0.774 1.00 0.00 H new ATOM 0 HE1 TYR A 14 105.386 -6.401 0.601 1.00 0.00 H new ATOM 0 HE2 TYR A 14 101.420 -6.170 -1.033 1.00 0.00 H new ATOM 0 HH TYR A 14 104.217 -4.430 0.265 1.00 0.00 H new ATOM 229 N ASP A 15 101.828 -12.468 2.047 1.00 0.00 N ATOM 230 CA ASP A 15 100.743 -13.035 2.891 1.00 0.00 C ATOM 231 C ASP A 15 101.217 -13.100 4.338 1.00 0.00 C ATOM 232 O ASP A 15 100.573 -12.595 5.234 1.00 0.00 O ATOM 233 CB ASP A 15 100.380 -14.437 2.399 1.00 0.00 C ATOM 234 CG ASP A 15 100.334 -14.447 0.871 1.00 0.00 C ATOM 235 OD1 ASP A 15 100.489 -15.514 0.300 1.00 0.00 O ATOM 236 OD2 ASP A 15 100.144 -13.387 0.297 1.00 0.00 O ATOM 0 H ASP A 15 102.011 -12.964 1.175 1.00 0.00 H new ATOM 0 HA ASP A 15 99.860 -12.400 2.825 1.00 0.00 H new ATOM 0 HB2 ASP A 15 101.114 -15.160 2.756 1.00 0.00 H new ATOM 0 HB3 ASP A 15 99.414 -14.737 2.804 1.00 0.00 H new ATOM 241 N LYS A 16 102.345 -13.702 4.575 1.00 0.00 N ATOM 242 CA LYS A 16 102.857 -13.776 5.969 1.00 0.00 C ATOM 243 C LYS A 16 102.926 -12.360 6.527 1.00 0.00 C ATOM 244 O LYS A 16 102.561 -12.104 7.658 1.00 0.00 O ATOM 245 CB LYS A 16 104.251 -14.407 5.977 1.00 0.00 C ATOM 246 CG LYS A 16 104.172 -15.833 5.428 1.00 0.00 C ATOM 247 CD LYS A 16 103.847 -16.804 6.566 1.00 0.00 C ATOM 248 CE LYS A 16 105.142 -17.228 7.261 1.00 0.00 C ATOM 249 NZ LYS A 16 104.828 -18.209 8.339 1.00 0.00 N ATOM 0 H LYS A 16 102.933 -14.144 3.868 1.00 0.00 H new ATOM 0 HA LYS A 16 102.195 -14.389 6.581 1.00 0.00 H new ATOM 0 HB2 LYS A 16 104.934 -13.811 5.372 1.00 0.00 H new ATOM 0 HB3 LYS A 16 104.650 -14.419 6.991 1.00 0.00 H new ATOM 0 HG2 LYS A 16 103.406 -15.894 4.655 1.00 0.00 H new ATOM 0 HG3 LYS A 16 105.118 -16.107 4.962 1.00 0.00 H new ATOM 0 HD2 LYS A 16 103.176 -16.330 7.282 1.00 0.00 H new ATOM 0 HD3 LYS A 16 103.329 -17.679 6.174 1.00 0.00 H new ATOM 0 HE2 LYS A 16 105.827 -17.672 6.538 1.00 0.00 H new ATOM 0 HE3 LYS A 16 105.644 -16.357 7.682 1.00 0.00 H new ATOM 0 HZ1 LYS A 16 105.708 -18.498 8.812 1.00 0.00 H new ATOM 0 HZ2 LYS A 16 104.190 -17.770 9.033 1.00 0.00 H new ATOM 0 HZ3 LYS A 16 104.367 -19.044 7.925 1.00 0.00 H new ATOM 263 N PHE A 17 103.374 -11.432 5.731 1.00 0.00 N ATOM 264 CA PHE A 17 103.449 -10.024 6.194 1.00 0.00 C ATOM 265 C PHE A 17 102.032 -9.502 6.379 1.00 0.00 C ATOM 266 O PHE A 17 101.604 -9.179 7.470 1.00 0.00 O ATOM 267 CB PHE A 17 104.156 -9.201 5.125 1.00 0.00 C ATOM 268 CG PHE A 17 104.331 -7.783 5.600 1.00 0.00 C ATOM 269 CD1 PHE A 17 105.353 -7.483 6.496 1.00 0.00 C ATOM 270 CD2 PHE A 17 103.482 -6.771 5.138 1.00 0.00 C ATOM 271 CE1 PHE A 17 105.535 -6.168 6.939 1.00 0.00 C ATOM 272 CE2 PHE A 17 103.659 -5.455 5.580 1.00 0.00 C ATOM 273 CZ PHE A 17 104.687 -5.152 6.482 1.00 0.00 C ATOM 0 H PHE A 17 103.693 -11.591 4.775 1.00 0.00 H new ATOM 0 HA PHE A 17 103.995 -9.955 7.135 1.00 0.00 H new ATOM 0 HB2 PHE A 17 105.128 -9.640 4.899 1.00 0.00 H new ATOM 0 HB3 PHE A 17 103.577 -9.215 4.201 1.00 0.00 H new ATOM 0 HD1 PHE A 17 106.007 -8.266 6.850 1.00 0.00 H new ATOM 0 HD2 PHE A 17 102.691 -7.005 4.441 1.00 0.00 H new ATOM 0 HE1 PHE A 17 106.329 -5.937 7.633 1.00 0.00 H new ATOM 0 HE2 PHE A 17 103.003 -4.673 5.226 1.00 0.00 H new ATOM 0 HZ PHE A 17 104.825 -4.137 6.824 1.00 0.00 H new ATOM 283 N MET A 18 101.300 -9.432 5.310 1.00 0.00 N ATOM 284 CA MET A 18 99.895 -8.946 5.398 1.00 0.00 C ATOM 285 C MET A 18 99.157 -9.741 6.478 1.00 0.00 C ATOM 286 O MET A 18 98.149 -9.308 7.000 1.00 0.00 O ATOM 287 CB MET A 18 99.196 -9.148 4.048 1.00 0.00 C ATOM 288 CG MET A 18 99.386 -7.907 3.173 1.00 0.00 C ATOM 289 SD MET A 18 101.091 -7.849 2.568 1.00 0.00 S ATOM 290 CE MET A 18 101.258 -6.047 2.534 1.00 0.00 C ATOM 0 H MET A 18 101.612 -9.690 4.374 1.00 0.00 H new ATOM 0 HA MET A 18 99.889 -7.886 5.652 1.00 0.00 H new ATOM 0 HB2 MET A 18 99.604 -10.025 3.545 1.00 0.00 H new ATOM 0 HB3 MET A 18 98.133 -9.335 4.203 1.00 0.00 H new ATOM 0 HG2 MET A 18 98.692 -7.932 2.333 1.00 0.00 H new ATOM 0 HG3 MET A 18 99.162 -7.007 3.746 1.00 0.00 H new ATOM 0 HE1 MET A 18 102.308 -5.781 2.410 1.00 0.00 H new ATOM 0 HE2 MET A 18 100.681 -5.644 1.702 1.00 0.00 H new ATOM 0 HE3 MET A 18 100.886 -5.629 3.470 1.00 0.00 H new ATOM 300 N GLU A 19 99.650 -10.903 6.822 1.00 0.00 N ATOM 301 CA GLU A 19 98.971 -11.715 7.869 1.00 0.00 C ATOM 302 C GLU A 19 99.337 -11.173 9.249 1.00 0.00 C ATOM 303 O GLU A 19 98.518 -11.125 10.145 1.00 0.00 O ATOM 304 CB GLU A 19 99.421 -13.174 7.757 1.00 0.00 C ATOM 305 CG GLU A 19 98.739 -14.003 8.846 1.00 0.00 C ATOM 306 CD GLU A 19 98.795 -15.485 8.469 1.00 0.00 C ATOM 307 OE1 GLU A 19 99.749 -15.875 7.817 1.00 0.00 O ATOM 308 OE2 GLU A 19 97.882 -16.205 8.840 1.00 0.00 O ATOM 0 H GLU A 19 100.491 -11.321 6.423 1.00 0.00 H new ATOM 0 HA GLU A 19 97.891 -11.658 7.730 1.00 0.00 H new ATOM 0 HB2 GLU A 19 99.169 -13.569 6.773 1.00 0.00 H new ATOM 0 HB3 GLU A 19 100.504 -13.240 7.859 1.00 0.00 H new ATOM 0 HG2 GLU A 19 99.233 -13.842 9.804 1.00 0.00 H new ATOM 0 HG3 GLU A 19 97.703 -13.686 8.964 1.00 0.00 H new ATOM 315 N LYS A 20 100.560 -10.760 9.425 1.00 0.00 N ATOM 316 CA LYS A 20 100.976 -10.218 10.747 1.00 0.00 C ATOM 317 C LYS A 20 100.219 -8.919 11.019 1.00 0.00 C ATOM 318 O LYS A 20 99.827 -8.638 12.134 1.00 0.00 O ATOM 319 CB LYS A 20 102.480 -9.944 10.740 1.00 0.00 C ATOM 320 CG LYS A 20 103.240 -11.266 10.597 1.00 0.00 C ATOM 321 CD LYS A 20 103.462 -11.880 11.982 1.00 0.00 C ATOM 322 CE LYS A 20 103.726 -13.380 11.838 1.00 0.00 C ATOM 323 NZ LYS A 20 102.434 -14.096 11.641 1.00 0.00 N ATOM 0 H LYS A 20 101.289 -10.774 8.711 1.00 0.00 H new ATOM 0 HA LYS A 20 100.748 -10.944 11.527 1.00 0.00 H new ATOM 0 HB2 LYS A 20 102.735 -9.275 9.918 1.00 0.00 H new ATOM 0 HB3 LYS A 20 102.773 -9.442 11.662 1.00 0.00 H new ATOM 0 HG2 LYS A 20 102.677 -11.955 9.968 1.00 0.00 H new ATOM 0 HG3 LYS A 20 104.198 -11.096 10.105 1.00 0.00 H new ATOM 0 HD2 LYS A 20 104.306 -11.397 12.475 1.00 0.00 H new ATOM 0 HD3 LYS A 20 102.587 -11.712 12.610 1.00 0.00 H new ATOM 0 HE2 LYS A 20 104.388 -13.564 10.992 1.00 0.00 H new ATOM 0 HE3 LYS A 20 104.232 -13.758 12.727 1.00 0.00 H new ATOM 0 HZ1 LYS A 20 102.585 -15.120 11.746 1.00 0.00 H new ATOM 0 HZ2 LYS A 20 101.746 -13.773 12.351 1.00 0.00 H new ATOM 0 HZ3 LYS A 20 102.068 -13.896 10.688 1.00 0.00 H new ATOM 337 N MET A 21 100.004 -8.128 10.006 1.00 0.00 N ATOM 338 CA MET A 21 99.265 -6.852 10.206 1.00 0.00 C ATOM 339 C MET A 21 97.810 -7.166 10.560 1.00 0.00 C ATOM 340 O MET A 21 97.048 -6.294 10.927 1.00 0.00 O ATOM 341 CB MET A 21 99.315 -6.026 8.919 1.00 0.00 C ATOM 342 CG MET A 21 100.773 -5.762 8.534 1.00 0.00 C ATOM 343 SD MET A 21 100.907 -4.129 7.767 1.00 0.00 S ATOM 344 CE MET A 21 99.602 -4.350 6.533 1.00 0.00 C ATOM 0 H MET A 21 100.308 -8.310 9.049 1.00 0.00 H new ATOM 0 HA MET A 21 99.723 -6.283 11.015 1.00 0.00 H new ATOM 0 HB2 MET A 21 98.806 -6.557 8.114 1.00 0.00 H new ATOM 0 HB3 MET A 21 98.789 -5.082 9.060 1.00 0.00 H new ATOM 0 HG2 MET A 21 101.409 -5.814 9.418 1.00 0.00 H new ATOM 0 HG3 MET A 21 101.123 -6.530 7.844 1.00 0.00 H new ATOM 0 HE1 MET A 21 99.786 -3.689 5.686 1.00 0.00 H new ATOM 0 HE2 MET A 21 99.596 -5.385 6.191 1.00 0.00 H new ATOM 0 HE3 MET A 21 98.636 -4.110 6.978 1.00 0.00 H new ATOM 354 N GLY A 22 97.420 -8.409 10.455 1.00 0.00 N ATOM 355 CA GLY A 22 96.016 -8.780 10.788 1.00 0.00 C ATOM 356 C GLY A 22 95.095 -8.403 9.626 1.00 0.00 C ATOM 357 O GLY A 22 93.949 -8.051 9.818 1.00 0.00 O ATOM 0 H GLY A 22 98.013 -9.182 10.153 1.00 0.00 H new ATOM 0 HA2 GLY A 22 95.949 -9.850 10.986 1.00 0.00 H new ATOM 0 HA3 GLY A 22 95.700 -8.268 11.697 1.00 0.00 H new ATOM 361 N VAL A 23 95.590 -8.473 8.421 1.00 0.00 N ATOM 362 CA VAL A 23 94.745 -8.118 7.246 1.00 0.00 C ATOM 363 C VAL A 23 93.833 -9.295 6.896 1.00 0.00 C ATOM 364 O VAL A 23 94.241 -10.440 6.929 1.00 0.00 O ATOM 365 CB VAL A 23 95.647 -7.797 6.052 1.00 0.00 C ATOM 366 CG1 VAL A 23 94.804 -7.207 4.920 1.00 0.00 C ATOM 367 CG2 VAL A 23 96.724 -6.786 6.474 1.00 0.00 C ATOM 0 H VAL A 23 96.543 -8.761 8.199 1.00 0.00 H new ATOM 0 HA VAL A 23 94.134 -7.248 7.486 1.00 0.00 H new ATOM 0 HB VAL A 23 96.129 -8.712 5.707 1.00 0.00 H new ATOM 0 HG11 VAL A 23 95.446 -6.978 4.069 1.00 0.00 H new ATOM 0 HG12 VAL A 23 94.045 -7.928 4.618 1.00 0.00 H new ATOM 0 HG13 VAL A 23 94.320 -6.293 5.265 1.00 0.00 H new ATOM 0 HG21 VAL A 23 97.365 -6.560 5.622 1.00 0.00 H new ATOM 0 HG22 VAL A 23 96.247 -5.870 6.823 1.00 0.00 H new ATOM 0 HG23 VAL A 23 97.326 -7.210 7.278 1.00 0.00 H new ATOM 377 N ASN A 24 92.600 -9.026 6.560 1.00 0.00 N ATOM 378 CA ASN A 24 91.666 -10.133 6.206 1.00 0.00 C ATOM 379 C ASN A 24 92.377 -11.116 5.275 1.00 0.00 C ATOM 380 O ASN A 24 93.465 -10.857 4.801 1.00 0.00 O ATOM 381 CB ASN A 24 90.436 -9.559 5.499 1.00 0.00 C ATOM 382 CG ASN A 24 89.306 -10.588 5.522 1.00 0.00 C ATOM 383 OD1 ASN A 24 89.126 -11.290 6.498 1.00 0.00 O ATOM 384 ND2 ASN A 24 88.531 -10.712 4.479 1.00 0.00 N ATOM 0 H ASN A 24 92.200 -8.089 6.515 1.00 0.00 H new ATOM 0 HA ASN A 24 91.353 -10.650 7.113 1.00 0.00 H new ATOM 0 HB2 ASN A 24 90.116 -8.641 5.992 1.00 0.00 H new ATOM 0 HB3 ASN A 24 90.684 -9.299 4.470 1.00 0.00 H new ATOM 0 HD21 ASN A 24 87.775 -11.397 4.484 1.00 0.00 H new ATOM 0 HD22 ASN A 24 88.681 -10.124 3.659 1.00 0.00 H new ATOM 391 N ILE A 25 91.776 -12.245 5.007 1.00 0.00 N ATOM 392 CA ILE A 25 92.431 -13.234 4.107 1.00 0.00 C ATOM 393 C ILE A 25 92.108 -12.890 2.660 1.00 0.00 C ATOM 394 O ILE A 25 92.611 -13.487 1.727 1.00 0.00 O ATOM 395 CB ILE A 25 91.930 -14.644 4.441 1.00 0.00 C ATOM 396 CG1 ILE A 25 92.758 -15.227 5.593 1.00 0.00 C ATOM 397 CG2 ILE A 25 92.053 -15.546 3.211 1.00 0.00 C ATOM 398 CD1 ILE A 25 94.233 -15.335 5.185 1.00 0.00 C ATOM 0 H ILE A 25 90.865 -12.523 5.371 1.00 0.00 H new ATOM 0 HA ILE A 25 93.511 -13.202 4.249 1.00 0.00 H new ATOM 0 HB ILE A 25 90.883 -14.589 4.740 1.00 0.00 H new ATOM 0 HG12 ILE A 25 92.663 -14.594 6.475 1.00 0.00 H new ATOM 0 HG13 ILE A 25 92.375 -16.211 5.864 1.00 0.00 H new ATOM 0 HG21 ILE A 25 91.695 -16.546 3.456 1.00 0.00 H new ATOM 0 HG22 ILE A 25 91.455 -15.136 2.398 1.00 0.00 H new ATOM 0 HG23 ILE A 25 93.097 -15.600 2.902 1.00 0.00 H new ATOM 0 HD11 ILE A 25 94.810 -15.750 6.012 1.00 0.00 H new ATOM 0 HD12 ILE A 25 94.323 -15.987 4.316 1.00 0.00 H new ATOM 0 HD13 ILE A 25 94.615 -14.345 4.937 1.00 0.00 H new ATOM 410 N VAL A 26 91.282 -11.920 2.480 1.00 0.00 N ATOM 411 CA VAL A 26 90.903 -11.494 1.106 1.00 0.00 C ATOM 412 C VAL A 26 91.958 -10.533 0.572 1.00 0.00 C ATOM 413 O VAL A 26 92.603 -10.791 -0.426 1.00 0.00 O ATOM 414 CB VAL A 26 89.543 -10.796 1.140 1.00 0.00 C ATOM 415 CG1 VAL A 26 89.152 -10.367 -0.275 1.00 0.00 C ATOM 416 CG2 VAL A 26 88.489 -11.761 1.689 1.00 0.00 C ATOM 0 H VAL A 26 90.841 -11.390 3.231 1.00 0.00 H new ATOM 0 HA VAL A 26 90.840 -12.367 0.457 1.00 0.00 H new ATOM 0 HB VAL A 26 89.603 -9.917 1.782 1.00 0.00 H new ATOM 0 HG11 VAL A 26 88.182 -9.870 -0.250 1.00 0.00 H new ATOM 0 HG12 VAL A 26 89.902 -9.680 -0.667 1.00 0.00 H new ATOM 0 HG13 VAL A 26 89.093 -11.245 -0.918 1.00 0.00 H new ATOM 0 HG21 VAL A 26 87.519 -11.265 1.714 1.00 0.00 H new ATOM 0 HG22 VAL A 26 88.431 -12.640 1.047 1.00 0.00 H new ATOM 0 HG23 VAL A 26 88.766 -12.067 2.698 1.00 0.00 H new ATOM 426 N LYS A 27 92.154 -9.433 1.238 1.00 0.00 N ATOM 427 CA LYS A 27 93.183 -8.464 0.779 1.00 0.00 C ATOM 428 C LYS A 27 94.552 -9.135 0.874 1.00 0.00 C ATOM 429 O LYS A 27 95.485 -8.774 0.186 1.00 0.00 O ATOM 430 CB LYS A 27 93.156 -7.222 1.671 1.00 0.00 C ATOM 431 CG LYS A 27 91.837 -6.475 1.468 1.00 0.00 C ATOM 432 CD LYS A 27 91.915 -5.105 2.146 1.00 0.00 C ATOM 433 CE LYS A 27 90.516 -4.495 2.229 1.00 0.00 C ATOM 434 NZ LYS A 27 89.727 -5.200 3.279 1.00 0.00 N ATOM 0 H LYS A 27 91.646 -9.163 2.080 1.00 0.00 H new ATOM 0 HA LYS A 27 92.982 -8.163 -0.249 1.00 0.00 H new ATOM 0 HB2 LYS A 27 93.266 -7.510 2.717 1.00 0.00 H new ATOM 0 HB3 LYS A 27 93.996 -6.570 1.430 1.00 0.00 H new ATOM 0 HG2 LYS A 27 91.635 -6.355 0.404 1.00 0.00 H new ATOM 0 HG3 LYS A 27 91.012 -7.052 1.885 1.00 0.00 H new ATOM 0 HD2 LYS A 27 92.339 -5.206 3.145 1.00 0.00 H new ATOM 0 HD3 LYS A 27 92.577 -4.447 1.584 1.00 0.00 H new ATOM 0 HE2 LYS A 27 90.584 -3.433 2.463 1.00 0.00 H new ATOM 0 HE3 LYS A 27 90.014 -4.578 1.265 1.00 0.00 H new ATOM 0 HZ1 LYS A 27 88.940 -4.594 3.588 1.00 0.00 H new ATOM 0 HZ2 LYS A 27 89.348 -6.088 2.891 1.00 0.00 H new ATOM 0 HZ3 LYS A 27 90.341 -5.411 4.091 1.00 0.00 H new ATOM 448 N ARG A 28 94.670 -10.120 1.723 1.00 0.00 N ATOM 449 CA ARG A 28 95.969 -10.830 1.871 1.00 0.00 C ATOM 450 C ARG A 28 96.206 -11.714 0.646 1.00 0.00 C ATOM 451 O ARG A 28 97.272 -11.708 0.062 1.00 0.00 O ATOM 452 CB ARG A 28 95.929 -11.703 3.126 1.00 0.00 C ATOM 453 CG ARG A 28 97.308 -12.322 3.362 1.00 0.00 C ATOM 454 CD ARG A 28 97.189 -13.467 4.370 1.00 0.00 C ATOM 455 NE ARG A 28 96.576 -14.651 3.706 1.00 0.00 N ATOM 456 CZ ARG A 28 96.799 -15.849 4.174 1.00 0.00 C ATOM 457 NH1 ARG A 28 96.261 -16.887 3.593 1.00 0.00 N ATOM 458 NH2 ARG A 28 97.558 -16.009 5.223 1.00 0.00 N ATOM 0 H ARG A 28 93.919 -10.463 2.322 1.00 0.00 H new ATOM 0 HA ARG A 28 96.776 -10.102 1.958 1.00 0.00 H new ATOM 0 HB2 ARG A 28 95.635 -11.105 3.989 1.00 0.00 H new ATOM 0 HB3 ARG A 28 95.181 -12.488 3.012 1.00 0.00 H new ATOM 0 HG2 ARG A 28 97.718 -12.692 2.422 1.00 0.00 H new ATOM 0 HG3 ARG A 28 97.999 -11.566 3.735 1.00 0.00 H new ATOM 0 HD2 ARG A 28 98.173 -13.725 4.761 1.00 0.00 H new ATOM 0 HD3 ARG A 28 96.580 -13.157 5.219 1.00 0.00 H new ATOM 0 HE ARG A 28 95.982 -14.526 2.886 1.00 0.00 H new ATOM 0 HH11 ARG A 28 95.667 -16.762 2.774 1.00 0.00 H new ATOM 0 HH12 ARG A 28 96.435 -17.823 3.958 1.00 0.00 H new ATOM 0 HH21 ARG A 28 97.977 -15.198 5.678 1.00 0.00 H new ATOM 0 HH22 ARG A 28 97.732 -16.945 5.589 1.00 0.00 H new ATOM 472 N LYS A 29 95.223 -12.479 0.251 1.00 0.00 N ATOM 473 CA LYS A 29 95.403 -13.363 -0.934 1.00 0.00 C ATOM 474 C LYS A 29 95.556 -12.512 -2.197 1.00 0.00 C ATOM 475 O LYS A 29 96.281 -12.860 -3.108 1.00 0.00 O ATOM 476 CB LYS A 29 94.184 -14.277 -1.078 1.00 0.00 C ATOM 477 CG LYS A 29 94.589 -15.562 -1.805 1.00 0.00 C ATOM 478 CD LYS A 29 95.133 -16.571 -0.792 1.00 0.00 C ATOM 479 CE LYS A 29 95.990 -17.610 -1.517 1.00 0.00 C ATOM 480 NZ LYS A 29 95.299 -18.040 -2.765 1.00 0.00 N ATOM 0 H LYS A 29 94.307 -12.529 0.697 1.00 0.00 H new ATOM 0 HA LYS A 29 96.299 -13.969 -0.799 1.00 0.00 H new ATOM 0 HB2 LYS A 29 93.778 -14.516 -0.095 1.00 0.00 H new ATOM 0 HB3 LYS A 29 93.397 -13.766 -1.633 1.00 0.00 H new ATOM 0 HG2 LYS A 29 93.730 -15.983 -2.328 1.00 0.00 H new ATOM 0 HG3 LYS A 29 95.345 -15.343 -2.559 1.00 0.00 H new ATOM 0 HD2 LYS A 29 95.727 -16.058 -0.035 1.00 0.00 H new ATOM 0 HD3 LYS A 29 94.309 -17.061 -0.273 1.00 0.00 H new ATOM 0 HE2 LYS A 29 96.967 -17.189 -1.756 1.00 0.00 H new ATOM 0 HE3 LYS A 29 96.163 -18.470 -0.870 1.00 0.00 H new ATOM 0 HZ1 LYS A 29 95.683 -18.955 -3.077 1.00 0.00 H new ATOM 0 HZ2 LYS A 29 94.280 -18.136 -2.582 1.00 0.00 H new ATOM 0 HZ3 LYS A 29 95.452 -17.329 -3.509 1.00 0.00 H new ATOM 494 N LEU A 30 94.874 -11.403 -2.262 1.00 0.00 N ATOM 495 CA LEU A 30 94.973 -10.536 -3.470 1.00 0.00 C ATOM 496 C LEU A 30 96.149 -9.581 -3.332 1.00 0.00 C ATOM 497 O LEU A 30 96.569 -8.939 -4.274 1.00 0.00 O ATOM 498 CB LEU A 30 93.676 -9.744 -3.651 1.00 0.00 C ATOM 499 CG LEU A 30 92.543 -10.700 -4.029 1.00 0.00 C ATOM 500 CD1 LEU A 30 91.204 -10.109 -3.581 1.00 0.00 C ATOM 501 CD2 LEU A 30 92.527 -10.900 -5.546 1.00 0.00 C ATOM 0 H LEU A 30 94.252 -11.059 -1.531 1.00 0.00 H new ATOM 0 HA LEU A 30 95.130 -11.166 -4.345 1.00 0.00 H new ATOM 0 HB2 LEU A 30 93.428 -9.216 -2.730 1.00 0.00 H new ATOM 0 HB3 LEU A 30 93.804 -8.989 -4.427 1.00 0.00 H new ATOM 0 HG LEU A 30 92.701 -11.660 -3.537 1.00 0.00 H new ATOM 0 HD11 LEU A 30 90.397 -10.790 -3.851 1.00 0.00 H new ATOM 0 HD12 LEU A 30 91.213 -9.966 -2.500 1.00 0.00 H new ATOM 0 HD13 LEU A 30 91.047 -9.149 -4.073 1.00 0.00 H new ATOM 0 HD21 LEU A 30 91.720 -11.581 -5.815 1.00 0.00 H new ATOM 0 HD22 LEU A 30 92.371 -9.940 -6.038 1.00 0.00 H new ATOM 0 HD23 LEU A 30 93.479 -11.322 -5.867 1.00 0.00 H new ATOM 513 N ALA A 31 96.669 -9.488 -2.160 1.00 0.00 N ATOM 514 CA ALA A 31 97.823 -8.574 -1.914 1.00 0.00 C ATOM 515 C ALA A 31 99.100 -9.181 -2.500 1.00 0.00 C ATOM 516 O ALA A 31 100.030 -8.479 -2.842 1.00 0.00 O ATOM 517 CB ALA A 31 98.002 -8.368 -0.408 1.00 0.00 C ATOM 0 H ALA A 31 96.349 -10.007 -1.342 1.00 0.00 H new ATOM 0 HA ALA A 31 97.628 -7.614 -2.393 1.00 0.00 H new ATOM 0 HB1 ALA A 31 98.845 -7.700 -0.230 1.00 0.00 H new ATOM 0 HB2 ALA A 31 97.096 -7.928 0.009 1.00 0.00 H new ATOM 0 HB3 ALA A 31 98.192 -9.329 0.071 1.00 0.00 H new ATOM 523 N ALA A 32 99.156 -10.479 -2.619 1.00 0.00 N ATOM 524 CA ALA A 32 100.377 -11.122 -3.183 1.00 0.00 C ATOM 525 C ALA A 32 100.464 -10.827 -4.680 1.00 0.00 C ATOM 526 O ALA A 32 101.404 -10.219 -5.152 1.00 0.00 O ATOM 527 CB ALA A 32 100.306 -12.634 -2.964 1.00 0.00 C ATOM 0 H ALA A 32 98.411 -11.122 -2.351 1.00 0.00 H new ATOM 0 HA ALA A 32 101.260 -10.724 -2.683 1.00 0.00 H new ATOM 0 HB1 ALA A 32 101.199 -13.104 -3.377 1.00 0.00 H new ATOM 0 HB2 ALA A 32 100.246 -12.845 -1.896 1.00 0.00 H new ATOM 0 HB3 ALA A 32 99.423 -13.033 -3.463 1.00 0.00 H new ATOM 533 N HIS A 33 99.489 -11.256 -5.427 1.00 0.00 N ATOM 534 CA HIS A 33 99.504 -11.006 -6.896 1.00 0.00 C ATOM 535 C HIS A 33 99.261 -9.518 -7.162 1.00 0.00 C ATOM 536 O HIS A 33 98.466 -9.150 -8.002 1.00 0.00 O ATOM 537 CB HIS A 33 98.402 -11.832 -7.563 1.00 0.00 C ATOM 538 CG HIS A 33 98.313 -11.468 -9.020 1.00 0.00 C ATOM 539 ND1 HIS A 33 99.260 -11.883 -9.946 1.00 0.00 N ATOM 540 CD2 HIS A 33 97.396 -10.729 -9.726 1.00 0.00 C ATOM 541 CE1 HIS A 33 98.894 -11.397 -11.147 1.00 0.00 C ATOM 542 NE2 HIS A 33 97.768 -10.687 -11.065 1.00 0.00 N ATOM 0 H HIS A 33 98.678 -11.771 -5.084 1.00 0.00 H new ATOM 0 HA HIS A 33 100.472 -11.294 -7.306 1.00 0.00 H new ATOM 0 HB2 HIS A 33 98.615 -12.896 -7.455 1.00 0.00 H new ATOM 0 HB3 HIS A 33 97.447 -11.647 -7.072 1.00 0.00 H new ATOM 0 HD2 HIS A 33 96.522 -10.254 -9.306 1.00 0.00 H new ATOM 0 HE1 HIS A 33 99.443 -11.561 -12.062 1.00 0.00 H new ATOM 0 HE2 HIS A 33 97.281 -10.212 -11.826 1.00 0.00 H new ATOM 550 N ASP A 34 99.935 -8.661 -6.445 1.00 0.00 N ATOM 551 CA ASP A 34 99.736 -7.201 -6.652 1.00 0.00 C ATOM 552 C ASP A 34 100.695 -6.691 -7.731 1.00 0.00 C ATOM 553 O ASP A 34 101.890 -6.899 -7.663 1.00 0.00 O ATOM 554 CB ASP A 34 100.003 -6.458 -5.342 1.00 0.00 C ATOM 555 CG ASP A 34 99.397 -5.055 -5.417 1.00 0.00 C ATOM 556 OD1 ASP A 34 98.715 -4.777 -6.390 1.00 0.00 O ATOM 557 OD2 ASP A 34 99.624 -4.283 -4.500 1.00 0.00 O ATOM 0 H ASP A 34 100.614 -8.910 -5.726 1.00 0.00 H new ATOM 0 HA ASP A 34 98.709 -7.023 -6.971 1.00 0.00 H new ATOM 0 HB2 ASP A 34 99.571 -7.008 -4.506 1.00 0.00 H new ATOM 0 HB3 ASP A 34 101.076 -6.393 -5.161 1.00 0.00 H new ATOM 562 N ASN A 35 100.177 -6.017 -8.721 1.00 0.00 N ATOM 563 CA ASN A 35 101.041 -5.477 -9.806 1.00 0.00 C ATOM 564 C ASN A 35 100.820 -3.967 -9.906 1.00 0.00 C ATOM 565 O ASN A 35 100.687 -3.417 -10.981 1.00 0.00 O ATOM 566 CB ASN A 35 100.666 -6.139 -11.134 1.00 0.00 C ATOM 567 CG ASN A 35 101.295 -7.532 -11.207 1.00 0.00 C ATOM 568 OD1 ASN A 35 102.411 -7.731 -10.767 1.00 0.00 O ATOM 569 ND2 ASN A 35 100.623 -8.511 -11.746 1.00 0.00 N ATOM 0 H ASN A 35 99.182 -5.816 -8.824 1.00 0.00 H new ATOM 0 HA ASN A 35 102.088 -5.684 -9.586 1.00 0.00 H new ATOM 0 HB2 ASN A 35 99.582 -6.213 -11.222 1.00 0.00 H new ATOM 0 HB3 ASN A 35 101.013 -5.528 -11.967 1.00 0.00 H new ATOM 0 HD21 ASN A 35 101.034 -9.443 -11.798 1.00 0.00 H new ATOM 0 HD22 ASN A 35 99.687 -8.344 -12.115 1.00 0.00 H new ATOM 576 N LEU A 36 100.755 -3.297 -8.786 1.00 0.00 N ATOM 577 CA LEU A 36 100.513 -1.826 -8.805 1.00 0.00 C ATOM 578 C LEU A 36 101.721 -1.078 -9.378 1.00 0.00 C ATOM 579 O LEU A 36 102.835 -1.578 -9.408 1.00 0.00 O ATOM 580 CB LEU A 36 100.225 -1.334 -7.379 1.00 0.00 C ATOM 581 CG LEU A 36 101.521 -1.279 -6.557 1.00 0.00 C ATOM 582 CD1 LEU A 36 101.458 -0.097 -5.585 1.00 0.00 C ATOM 583 CD2 LEU A 36 101.679 -2.577 -5.760 1.00 0.00 C ATOM 0 H LEU A 36 100.859 -3.706 -7.858 1.00 0.00 H new ATOM 0 HA LEU A 36 99.653 -1.625 -9.444 1.00 0.00 H new ATOM 0 HB2 LEU A 36 99.768 -0.345 -7.415 1.00 0.00 H new ATOM 0 HB3 LEU A 36 99.509 -1.999 -6.896 1.00 0.00 H new ATOM 0 HG LEU A 36 102.370 -1.158 -7.230 1.00 0.00 H new ATOM 0 HD11 LEU A 36 102.377 -0.057 -5.001 1.00 0.00 H new ATOM 0 HD12 LEU A 36 101.344 0.830 -6.147 1.00 0.00 H new ATOM 0 HD13 LEU A 36 100.608 -0.222 -4.915 1.00 0.00 H new ATOM 0 HD21 LEU A 36 102.599 -2.536 -5.177 1.00 0.00 H new ATOM 0 HD22 LEU A 36 100.829 -2.697 -5.088 1.00 0.00 H new ATOM 0 HD23 LEU A 36 101.721 -3.423 -6.446 1.00 0.00 H new ATOM 595 N LYS A 37 101.494 0.132 -9.821 1.00 0.00 N ATOM 596 CA LYS A 37 102.594 0.957 -10.392 1.00 0.00 C ATOM 597 C LYS A 37 102.950 2.070 -9.405 1.00 0.00 C ATOM 598 O LYS A 37 102.112 2.549 -8.669 1.00 0.00 O ATOM 599 CB LYS A 37 102.130 1.579 -11.710 1.00 0.00 C ATOM 600 CG LYS A 37 101.851 0.472 -12.729 1.00 0.00 C ATOM 601 CD LYS A 37 102.016 1.028 -14.145 1.00 0.00 C ATOM 602 CE LYS A 37 101.062 2.207 -14.346 1.00 0.00 C ATOM 603 NZ LYS A 37 101.162 2.693 -15.750 1.00 0.00 N ATOM 0 H LYS A 37 100.581 0.586 -9.810 1.00 0.00 H new ATOM 0 HA LYS A 37 103.468 0.331 -10.572 1.00 0.00 H new ATOM 0 HB2 LYS A 37 101.230 2.172 -11.547 1.00 0.00 H new ATOM 0 HB3 LYS A 37 102.893 2.256 -12.093 1.00 0.00 H new ATOM 0 HG2 LYS A 37 102.535 -0.362 -12.572 1.00 0.00 H new ATOM 0 HG3 LYS A 37 100.841 0.085 -12.594 1.00 0.00 H new ATOM 0 HD2 LYS A 37 103.046 1.349 -14.303 1.00 0.00 H new ATOM 0 HD3 LYS A 37 101.808 0.249 -14.879 1.00 0.00 H new ATOM 0 HE2 LYS A 37 100.039 1.902 -14.128 1.00 0.00 H new ATOM 0 HE3 LYS A 37 101.310 3.011 -13.653 1.00 0.00 H new ATOM 0 HZ1 LYS A 37 100.514 3.494 -15.887 1.00 0.00 H new ATOM 0 HZ2 LYS A 37 102.137 3.000 -15.943 1.00 0.00 H new ATOM 0 HZ3 LYS A 37 100.905 1.925 -16.402 1.00 0.00 H new ATOM 617 N LEU A 38 104.188 2.488 -9.380 1.00 0.00 N ATOM 618 CA LEU A 38 104.587 3.568 -8.436 1.00 0.00 C ATOM 619 C LEU A 38 105.543 4.540 -9.129 1.00 0.00 C ATOM 620 O LEU A 38 106.537 4.145 -9.708 1.00 0.00 O ATOM 621 CB LEU A 38 105.288 2.954 -7.220 1.00 0.00 C ATOM 622 CG LEU A 38 104.469 1.775 -6.683 1.00 0.00 C ATOM 623 CD1 LEU A 38 104.960 0.472 -7.318 1.00 0.00 C ATOM 624 CD2 LEU A 38 104.635 1.691 -5.164 1.00 0.00 C ATOM 0 H LEU A 38 104.937 2.128 -9.972 1.00 0.00 H new ATOM 0 HA LEU A 38 103.695 4.105 -8.115 1.00 0.00 H new ATOM 0 HB2 LEU A 38 106.287 2.617 -7.497 1.00 0.00 H new ATOM 0 HB3 LEU A 38 105.410 3.707 -6.442 1.00 0.00 H new ATOM 0 HG LEU A 38 103.418 1.924 -6.931 1.00 0.00 H new ATOM 0 HD11 LEU A 38 104.375 -0.363 -6.933 1.00 0.00 H new ATOM 0 HD12 LEU A 38 104.844 0.528 -8.400 1.00 0.00 H new ATOM 0 HD13 LEU A 38 106.011 0.322 -7.073 1.00 0.00 H new ATOM 0 HD21 LEU A 38 104.053 0.853 -4.780 1.00 0.00 H new ATOM 0 HD22 LEU A 38 105.687 1.544 -4.921 1.00 0.00 H new ATOM 0 HD23 LEU A 38 104.283 2.616 -4.708 1.00 0.00 H new ATOM 636 N THR A 39 105.258 5.812 -9.059 1.00 0.00 N ATOM 637 CA THR A 39 106.157 6.818 -9.694 1.00 0.00 C ATOM 638 C THR A 39 107.042 7.428 -8.608 1.00 0.00 C ATOM 639 O THR A 39 106.589 8.211 -7.798 1.00 0.00 O ATOM 640 CB THR A 39 105.318 7.917 -10.353 1.00 0.00 C ATOM 641 OG1 THR A 39 104.136 7.346 -10.895 1.00 0.00 O ATOM 642 CG2 THR A 39 106.127 8.578 -11.469 1.00 0.00 C ATOM 0 H THR A 39 104.440 6.199 -8.589 1.00 0.00 H new ATOM 0 HA THR A 39 106.773 6.341 -10.456 1.00 0.00 H new ATOM 0 HB THR A 39 105.051 8.667 -9.609 1.00 0.00 H new ATOM 0 HG1 THR A 39 103.597 8.048 -11.316 1.00 0.00 H new ATOM 0 HG21 THR A 39 105.529 9.360 -11.938 1.00 0.00 H new ATOM 0 HG22 THR A 39 107.034 9.016 -11.051 1.00 0.00 H new ATOM 0 HG23 THR A 39 106.396 7.830 -12.215 1.00 0.00 H new ATOM 650 N ILE A 40 108.293 7.063 -8.568 1.00 0.00 N ATOM 651 CA ILE A 40 109.188 7.610 -7.506 1.00 0.00 C ATOM 652 C ILE A 40 109.967 8.822 -8.019 1.00 0.00 C ATOM 653 O ILE A 40 110.688 8.745 -8.994 1.00 0.00 O ATOM 654 CB ILE A 40 110.177 6.528 -7.067 1.00 0.00 C ATOM 655 CG1 ILE A 40 109.430 5.435 -6.292 1.00 0.00 C ATOM 656 CG2 ILE A 40 111.242 7.151 -6.163 1.00 0.00 C ATOM 657 CD1 ILE A 40 108.821 4.419 -7.264 1.00 0.00 C ATOM 0 H ILE A 40 108.734 6.414 -9.220 1.00 0.00 H new ATOM 0 HA ILE A 40 108.571 7.922 -6.663 1.00 0.00 H new ATOM 0 HB ILE A 40 110.652 6.092 -7.946 1.00 0.00 H new ATOM 0 HG12 ILE A 40 110.114 4.931 -5.609 1.00 0.00 H new ATOM 0 HG13 ILE A 40 108.645 5.883 -5.683 1.00 0.00 H new ATOM 0 HG21 ILE A 40 111.948 6.382 -5.849 1.00 0.00 H new ATOM 0 HG22 ILE A 40 111.773 7.930 -6.710 1.00 0.00 H new ATOM 0 HG23 ILE A 40 110.765 7.586 -5.285 1.00 0.00 H new ATOM 0 HD11 ILE A 40 108.294 3.648 -6.702 1.00 0.00 H new ATOM 0 HD12 ILE A 40 108.122 4.926 -7.929 1.00 0.00 H new ATOM 0 HD13 ILE A 40 109.614 3.959 -7.854 1.00 0.00 H new ATOM 669 N THR A 41 109.842 9.937 -7.348 1.00 0.00 N ATOM 670 CA THR A 41 110.586 11.153 -7.761 1.00 0.00 C ATOM 671 C THR A 41 111.433 11.618 -6.577 1.00 0.00 C ATOM 672 O THR A 41 111.092 11.381 -5.435 1.00 0.00 O ATOM 673 CB THR A 41 109.598 12.253 -8.149 1.00 0.00 C ATOM 674 OG1 THR A 41 108.432 11.666 -8.708 1.00 0.00 O ATOM 675 CG2 THR A 41 110.245 13.188 -9.173 1.00 0.00 C ATOM 0 H THR A 41 109.250 10.053 -6.525 1.00 0.00 H new ATOM 0 HA THR A 41 111.222 10.934 -8.618 1.00 0.00 H new ATOM 0 HB THR A 41 109.326 12.825 -7.262 1.00 0.00 H new ATOM 0 HG1 THR A 41 107.797 12.371 -8.955 1.00 0.00 H new ATOM 0 HG21 THR A 41 109.539 13.971 -9.448 1.00 0.00 H new ATOM 0 HG22 THR A 41 111.137 13.640 -8.740 1.00 0.00 H new ATOM 0 HG23 THR A 41 110.521 12.620 -10.061 1.00 0.00 H new ATOM 683 N GLN A 42 112.535 12.267 -6.828 1.00 0.00 N ATOM 684 CA GLN A 42 113.393 12.727 -5.699 1.00 0.00 C ATOM 685 C GLN A 42 113.728 14.209 -5.872 1.00 0.00 C ATOM 686 O GLN A 42 113.849 14.704 -6.974 1.00 0.00 O ATOM 687 CB GLN A 42 114.688 11.913 -5.681 1.00 0.00 C ATOM 688 CG GLN A 42 115.602 12.428 -4.568 1.00 0.00 C ATOM 689 CD GLN A 42 116.854 11.551 -4.489 1.00 0.00 C ATOM 690 OE1 GLN A 42 116.873 10.451 -5.002 1.00 0.00 O ATOM 691 NE2 GLN A 42 117.908 11.996 -3.860 1.00 0.00 N ATOM 0 H GLN A 42 112.878 12.498 -7.760 1.00 0.00 H new ATOM 0 HA GLN A 42 112.857 12.587 -4.760 1.00 0.00 H new ATOM 0 HB2 GLN A 42 114.464 10.858 -5.523 1.00 0.00 H new ATOM 0 HB3 GLN A 42 115.192 11.991 -6.644 1.00 0.00 H new ATOM 0 HG2 GLN A 42 115.882 13.463 -4.763 1.00 0.00 H new ATOM 0 HG3 GLN A 42 115.075 12.414 -3.614 1.00 0.00 H new ATOM 0 HE21 GLN A 42 117.892 12.920 -3.429 1.00 0.00 H new ATOM 0 HE22 GLN A 42 118.747 11.419 -3.800 1.00 0.00 H new ATOM 700 N GLU A 43 113.886 14.920 -4.788 1.00 0.00 N ATOM 701 CA GLU A 43 114.220 16.368 -4.891 1.00 0.00 C ATOM 702 C GLU A 43 115.159 16.758 -3.747 1.00 0.00 C ATOM 703 O GLU A 43 114.751 17.343 -2.764 1.00 0.00 O ATOM 704 CB GLU A 43 112.937 17.198 -4.806 1.00 0.00 C ATOM 705 CG GLU A 43 112.031 16.859 -5.990 1.00 0.00 C ATOM 706 CD GLU A 43 111.000 17.974 -6.179 1.00 0.00 C ATOM 707 OE1 GLU A 43 109.991 17.944 -5.493 1.00 0.00 O ATOM 708 OE2 GLU A 43 111.237 18.838 -7.007 1.00 0.00 O ATOM 0 H GLU A 43 113.798 14.561 -3.837 1.00 0.00 H new ATOM 0 HA GLU A 43 114.711 16.559 -5.845 1.00 0.00 H new ATOM 0 HB2 GLU A 43 112.420 16.993 -3.869 1.00 0.00 H new ATOM 0 HB3 GLU A 43 113.178 18.261 -4.811 1.00 0.00 H new ATOM 0 HG2 GLU A 43 112.626 16.742 -6.896 1.00 0.00 H new ATOM 0 HG3 GLU A 43 111.527 15.909 -5.815 1.00 0.00 H new ATOM 715 N GLY A 44 116.419 16.447 -3.878 1.00 0.00 N ATOM 716 CA GLY A 44 117.398 16.806 -2.812 1.00 0.00 C ATOM 717 C GLY A 44 116.956 16.235 -1.461 1.00 0.00 C ATOM 718 O GLY A 44 117.441 15.210 -1.023 1.00 0.00 O ATOM 0 H GLY A 44 116.815 15.958 -4.681 1.00 0.00 H new ATOM 0 HA2 GLY A 44 118.384 16.420 -3.071 1.00 0.00 H new ATOM 0 HA3 GLY A 44 117.488 17.890 -2.743 1.00 0.00 H new ATOM 722 N ASN A 45 116.058 16.903 -0.786 1.00 0.00 N ATOM 723 CA ASN A 45 115.603 16.417 0.551 1.00 0.00 C ATOM 724 C ASN A 45 114.081 16.279 0.574 1.00 0.00 C ATOM 725 O ASN A 45 113.453 16.406 1.605 1.00 0.00 O ATOM 726 CB ASN A 45 116.040 17.410 1.630 1.00 0.00 C ATOM 727 CG ASN A 45 115.615 18.822 1.227 1.00 0.00 C ATOM 728 OD1 ASN A 45 115.840 19.242 0.110 1.00 0.00 O ATOM 729 ND2 ASN A 45 115.002 19.579 2.097 1.00 0.00 N ATOM 0 H ASN A 45 115.618 17.767 -1.104 1.00 0.00 H new ATOM 0 HA ASN A 45 116.050 15.442 0.744 1.00 0.00 H new ATOM 0 HB2 ASN A 45 115.592 17.143 2.587 1.00 0.00 H new ATOM 0 HB3 ASN A 45 117.121 17.368 1.761 1.00 0.00 H new ATOM 0 HD21 ASN A 45 114.713 20.522 1.838 1.00 0.00 H new ATOM 0 HD22 ASN A 45 114.813 19.227 3.035 1.00 0.00 H new ATOM 736 N LYS A 46 113.482 16.015 -0.550 1.00 0.00 N ATOM 737 CA LYS A 46 112.020 15.864 -0.593 1.00 0.00 C ATOM 738 C LYS A 46 111.686 14.824 -1.655 1.00 0.00 C ATOM 739 O LYS A 46 111.832 15.044 -2.841 1.00 0.00 O ATOM 740 CB LYS A 46 111.388 17.209 -0.956 1.00 0.00 C ATOM 741 CG LYS A 46 109.924 17.008 -1.360 1.00 0.00 C ATOM 742 CD LYS A 46 109.748 17.313 -2.852 1.00 0.00 C ATOM 743 CE LYS A 46 108.258 17.356 -3.193 1.00 0.00 C ATOM 744 NZ LYS A 46 107.692 18.671 -2.779 1.00 0.00 N ATOM 0 H LYS A 46 113.955 15.898 -1.446 1.00 0.00 H new ATOM 0 HA LYS A 46 111.633 15.544 0.375 1.00 0.00 H new ATOM 0 HB2 LYS A 46 111.449 17.890 -0.107 1.00 0.00 H new ATOM 0 HB3 LYS A 46 111.940 17.670 -1.775 1.00 0.00 H new ATOM 0 HG2 LYS A 46 109.617 15.983 -1.151 1.00 0.00 H new ATOM 0 HG3 LYS A 46 109.282 17.660 -0.768 1.00 0.00 H new ATOM 0 HD2 LYS A 46 110.215 18.267 -3.096 1.00 0.00 H new ATOM 0 HD3 LYS A 46 110.247 16.551 -3.451 1.00 0.00 H new ATOM 0 HE2 LYS A 46 108.114 17.207 -4.263 1.00 0.00 H new ATOM 0 HE3 LYS A 46 107.734 16.546 -2.685 1.00 0.00 H new ATOM 0 HZ1 LYS A 46 106.728 18.534 -2.413 1.00 0.00 H new ATOM 0 HZ2 LYS A 46 108.289 19.087 -2.036 1.00 0.00 H new ATOM 0 HZ3 LYS A 46 107.664 19.310 -3.599 1.00 0.00 H new ATOM 758 N PHE A 47 111.240 13.691 -1.223 1.00 0.00 N ATOM 759 CA PHE A 47 110.882 12.601 -2.172 1.00 0.00 C ATOM 760 C PHE A 47 109.396 12.700 -2.519 1.00 0.00 C ATOM 761 O PHE A 47 108.643 13.398 -1.869 1.00 0.00 O ATOM 762 CB PHE A 47 111.161 11.242 -1.518 1.00 0.00 C ATOM 763 CG PHE A 47 112.424 10.646 -2.093 1.00 0.00 C ATOM 764 CD1 PHE A 47 113.665 10.954 -1.524 1.00 0.00 C ATOM 765 CD2 PHE A 47 112.353 9.784 -3.194 1.00 0.00 C ATOM 766 CE1 PHE A 47 114.835 10.400 -2.054 1.00 0.00 C ATOM 767 CE2 PHE A 47 113.524 9.230 -3.726 1.00 0.00 C ATOM 768 CZ PHE A 47 114.765 9.539 -3.156 1.00 0.00 C ATOM 0 H PHE A 47 111.104 13.463 -0.238 1.00 0.00 H new ATOM 0 HA PHE A 47 111.478 12.698 -3.080 1.00 0.00 H new ATOM 0 HB2 PHE A 47 111.263 11.362 -0.439 1.00 0.00 H new ATOM 0 HB3 PHE A 47 110.321 10.568 -1.686 1.00 0.00 H new ATOM 0 HD1 PHE A 47 113.719 11.620 -0.675 1.00 0.00 H new ATOM 0 HD2 PHE A 47 111.395 9.546 -3.633 1.00 0.00 H new ATOM 0 HE1 PHE A 47 115.792 10.636 -1.613 1.00 0.00 H new ATOM 0 HE2 PHE A 47 113.470 8.565 -4.575 1.00 0.00 H new ATOM 0 HZ PHE A 47 115.669 9.113 -3.566 1.00 0.00 H new ATOM 778 N THR A 48 108.964 11.999 -3.529 1.00 0.00 N ATOM 779 CA THR A 48 107.534 12.042 -3.905 1.00 0.00 C ATOM 780 C THR A 48 107.195 10.762 -4.660 1.00 0.00 C ATOM 781 O THR A 48 107.529 10.600 -5.816 1.00 0.00 O ATOM 782 CB THR A 48 107.283 13.244 -4.810 1.00 0.00 C ATOM 783 OG1 THR A 48 107.689 14.432 -4.144 1.00 0.00 O ATOM 784 CG2 THR A 48 105.795 13.328 -5.153 1.00 0.00 C ATOM 0 H THR A 48 109.547 11.397 -4.110 1.00 0.00 H new ATOM 0 HA THR A 48 106.914 12.128 -3.013 1.00 0.00 H new ATOM 0 HB THR A 48 107.857 13.131 -5.730 1.00 0.00 H new ATOM 0 HG1 THR A 48 107.857 14.236 -3.199 1.00 0.00 H new ATOM 0 HG21 THR A 48 105.619 14.188 -5.800 1.00 0.00 H new ATOM 0 HG22 THR A 48 105.488 12.418 -5.668 1.00 0.00 H new ATOM 0 HG23 THR A 48 105.216 13.439 -4.236 1.00 0.00 H new ATOM 792 N VAL A 49 106.536 9.852 -4.011 1.00 0.00 N ATOM 793 CA VAL A 49 106.172 8.575 -4.679 1.00 0.00 C ATOM 794 C VAL A 49 104.678 8.575 -4.999 1.00 0.00 C ATOM 795 O VAL A 49 103.843 8.654 -4.121 1.00 0.00 O ATOM 796 CB VAL A 49 106.503 7.400 -3.756 1.00 0.00 C ATOM 797 CG1 VAL A 49 105.625 7.465 -2.506 1.00 0.00 C ATOM 798 CG2 VAL A 49 106.243 6.083 -4.494 1.00 0.00 C ATOM 0 H VAL A 49 106.231 9.936 -3.041 1.00 0.00 H new ATOM 0 HA VAL A 49 106.739 8.475 -5.604 1.00 0.00 H new ATOM 0 HB VAL A 49 107.552 7.454 -3.464 1.00 0.00 H new ATOM 0 HG11 VAL A 49 105.863 6.627 -1.850 1.00 0.00 H new ATOM 0 HG12 VAL A 49 105.810 8.401 -1.980 1.00 0.00 H new ATOM 0 HG13 VAL A 49 104.575 7.413 -2.795 1.00 0.00 H new ATOM 0 HG21 VAL A 49 106.478 5.245 -3.837 1.00 0.00 H new ATOM 0 HG22 VAL A 49 105.194 6.031 -4.787 1.00 0.00 H new ATOM 0 HG23 VAL A 49 106.871 6.034 -5.384 1.00 0.00 H new ATOM 808 N LYS A 50 104.335 8.487 -6.255 1.00 0.00 N ATOM 809 CA LYS A 50 102.895 8.481 -6.632 1.00 0.00 C ATOM 810 C LYS A 50 102.447 7.044 -6.897 1.00 0.00 C ATOM 811 O LYS A 50 102.687 6.494 -7.953 1.00 0.00 O ATOM 812 CB LYS A 50 102.694 9.319 -7.896 1.00 0.00 C ATOM 813 CG LYS A 50 101.236 9.774 -7.981 1.00 0.00 C ATOM 814 CD LYS A 50 100.973 10.394 -9.354 1.00 0.00 C ATOM 815 CE LYS A 50 99.473 10.646 -9.523 1.00 0.00 C ATOM 816 NZ LYS A 50 98.911 11.170 -8.246 1.00 0.00 N ATOM 0 H LYS A 50 104.989 8.419 -7.035 1.00 0.00 H new ATOM 0 HA LYS A 50 102.304 8.904 -5.820 1.00 0.00 H new ATOM 0 HB2 LYS A 50 103.356 10.185 -7.880 1.00 0.00 H new ATOM 0 HB3 LYS A 50 102.955 8.734 -8.778 1.00 0.00 H new ATOM 0 HG2 LYS A 50 100.570 8.927 -7.819 1.00 0.00 H new ATOM 0 HG3 LYS A 50 101.024 10.500 -7.196 1.00 0.00 H new ATOM 0 HD2 LYS A 50 101.523 11.330 -9.453 1.00 0.00 H new ATOM 0 HD3 LYS A 50 101.331 9.729 -10.140 1.00 0.00 H new ATOM 0 HE2 LYS A 50 99.302 11.360 -10.328 1.00 0.00 H new ATOM 0 HE3 LYS A 50 98.967 9.722 -9.803 1.00 0.00 H new ATOM 0 HZ1 LYS A 50 98.026 11.681 -8.440 1.00 0.00 H new ATOM 0 HZ2 LYS A 50 98.719 10.378 -7.600 1.00 0.00 H new ATOM 0 HZ3 LYS A 50 99.595 11.817 -7.805 1.00 0.00 H new ATOM 830 N GLU A 51 101.794 6.431 -5.949 1.00 0.00 N ATOM 831 CA GLU A 51 101.330 5.031 -6.154 1.00 0.00 C ATOM 832 C GLU A 51 100.193 5.027 -7.173 1.00 0.00 C ATOM 833 O GLU A 51 99.509 6.015 -7.355 1.00 0.00 O ATOM 834 CB GLU A 51 100.830 4.458 -4.826 1.00 0.00 C ATOM 835 CG GLU A 51 101.949 4.525 -3.786 1.00 0.00 C ATOM 836 CD GLU A 51 101.945 5.902 -3.120 1.00 0.00 C ATOM 837 OE1 GLU A 51 102.494 6.822 -3.705 1.00 0.00 O ATOM 838 OE2 GLU A 51 101.396 6.013 -2.038 1.00 0.00 O ATOM 0 H GLU A 51 101.562 6.838 -5.043 1.00 0.00 H new ATOM 0 HA GLU A 51 102.155 4.420 -6.521 1.00 0.00 H new ATOM 0 HB2 GLU A 51 99.963 5.020 -4.479 1.00 0.00 H new ATOM 0 HB3 GLU A 51 100.507 3.426 -4.962 1.00 0.00 H new ATOM 0 HG2 GLU A 51 101.810 3.746 -3.036 1.00 0.00 H new ATOM 0 HG3 GLU A 51 102.913 4.342 -4.261 1.00 0.00 H new ATOM 845 N SER A 52 99.971 3.923 -7.833 1.00 0.00 N ATOM 846 CA SER A 52 98.874 3.865 -8.823 1.00 0.00 C ATOM 847 C SER A 52 98.488 2.413 -9.050 1.00 0.00 C ATOM 848 O SER A 52 99.188 1.651 -9.688 1.00 0.00 O ATOM 849 CB SER A 52 99.336 4.488 -10.141 1.00 0.00 C ATOM 850 OG SER A 52 100.100 5.655 -9.866 1.00 0.00 O ATOM 0 H SER A 52 100.506 3.061 -7.725 1.00 0.00 H new ATOM 0 HA SER A 52 98.013 4.420 -8.450 1.00 0.00 H new ATOM 0 HB2 SER A 52 99.934 3.772 -10.705 1.00 0.00 H new ATOM 0 HB3 SER A 52 98.474 4.741 -10.759 1.00 0.00 H new ATOM 0 HG SER A 52 99.716 6.124 -9.096 1.00 0.00 H new ATOM 856 N SER A 53 97.363 2.042 -8.534 1.00 0.00 N ATOM 857 CA SER A 53 96.868 0.656 -8.698 1.00 0.00 C ATOM 858 C SER A 53 95.401 0.717 -9.124 1.00 0.00 C ATOM 859 O SER A 53 94.661 1.583 -8.704 1.00 0.00 O ATOM 860 CB SER A 53 96.990 -0.093 -7.367 1.00 0.00 C ATOM 861 OG SER A 53 95.696 -0.469 -6.917 1.00 0.00 O ATOM 0 H SER A 53 96.750 2.652 -7.993 1.00 0.00 H new ATOM 0 HA SER A 53 97.455 0.132 -9.452 1.00 0.00 H new ATOM 0 HB2 SER A 53 97.615 -0.977 -7.491 1.00 0.00 H new ATOM 0 HB3 SER A 53 97.476 0.540 -6.624 1.00 0.00 H new ATOM 0 HG SER A 53 95.425 -1.301 -7.359 1.00 0.00 H new ATOM 867 N ALA A 54 94.973 -0.187 -9.955 1.00 0.00 N ATOM 868 CA ALA A 54 93.553 -0.167 -10.406 1.00 0.00 C ATOM 869 C ALA A 54 92.621 -0.235 -9.193 1.00 0.00 C ATOM 870 O ALA A 54 91.425 -0.391 -9.334 1.00 0.00 O ATOM 871 CB ALA A 54 93.292 -1.369 -11.316 1.00 0.00 C ATOM 0 H ALA A 54 95.542 -0.939 -10.343 1.00 0.00 H new ATOM 0 HA ALA A 54 93.363 0.756 -10.953 1.00 0.00 H new ATOM 0 HB1 ALA A 54 92.254 -1.356 -11.647 1.00 0.00 H new ATOM 0 HB2 ALA A 54 93.950 -1.318 -12.184 1.00 0.00 H new ATOM 0 HB3 ALA A 54 93.486 -2.290 -10.767 1.00 0.00 H new ATOM 877 N PHE A 55 93.155 -0.140 -8.002 1.00 0.00 N ATOM 878 CA PHE A 55 92.288 -0.222 -6.793 1.00 0.00 C ATOM 879 C PHE A 55 92.236 1.126 -6.056 1.00 0.00 C ATOM 880 O PHE A 55 91.323 1.373 -5.296 1.00 0.00 O ATOM 881 CB PHE A 55 92.838 -1.302 -5.854 1.00 0.00 C ATOM 882 CG PHE A 55 92.187 -1.191 -4.494 1.00 0.00 C ATOM 883 CD1 PHE A 55 90.808 -0.964 -4.385 1.00 0.00 C ATOM 884 CD2 PHE A 55 92.966 -1.322 -3.337 1.00 0.00 C ATOM 885 CE1 PHE A 55 90.212 -0.867 -3.121 1.00 0.00 C ATOM 886 CE2 PHE A 55 92.370 -1.224 -2.075 1.00 0.00 C ATOM 887 CZ PHE A 55 90.994 -0.996 -1.966 1.00 0.00 C ATOM 0 H PHE A 55 94.150 -0.010 -7.817 1.00 0.00 H new ATOM 0 HA PHE A 55 91.275 -0.476 -7.106 1.00 0.00 H new ATOM 0 HB2 PHE A 55 92.652 -2.290 -6.275 1.00 0.00 H new ATOM 0 HB3 PHE A 55 93.918 -1.195 -5.758 1.00 0.00 H new ATOM 0 HD1 PHE A 55 90.205 -0.864 -5.275 1.00 0.00 H new ATOM 0 HD2 PHE A 55 94.028 -1.499 -3.419 1.00 0.00 H new ATOM 0 HE1 PHE A 55 89.149 -0.693 -3.037 1.00 0.00 H new ATOM 0 HE2 PHE A 55 92.973 -1.324 -1.184 1.00 0.00 H new ATOM 0 HZ PHE A 55 90.535 -0.919 -0.992 1.00 0.00 H new ATOM 897 N ARG A 56 93.190 2.002 -6.269 1.00 0.00 N ATOM 898 CA ARG A 56 93.157 3.317 -5.565 1.00 0.00 C ATOM 899 C ARG A 56 94.553 3.934 -5.582 1.00 0.00 C ATOM 900 O ARG A 56 95.352 3.723 -4.692 1.00 0.00 O ATOM 901 CB ARG A 56 92.709 3.139 -4.108 1.00 0.00 C ATOM 902 CG ARG A 56 93.277 1.832 -3.535 1.00 0.00 C ATOM 903 CD ARG A 56 93.953 2.109 -2.190 1.00 0.00 C ATOM 904 NE ARG A 56 93.104 3.036 -1.388 1.00 0.00 N ATOM 905 CZ ARG A 56 91.963 2.626 -0.907 1.00 0.00 C ATOM 906 NH1 ARG A 56 91.220 3.439 -0.207 1.00 0.00 N ATOM 907 NH2 ARG A 56 91.564 1.403 -1.126 1.00 0.00 N ATOM 0 H ARG A 56 93.983 1.862 -6.895 1.00 0.00 H new ATOM 0 HA ARG A 56 92.449 3.968 -6.077 1.00 0.00 H new ATOM 0 HB2 ARG A 56 93.048 3.985 -3.510 1.00 0.00 H new ATOM 0 HB3 ARG A 56 91.620 3.126 -4.053 1.00 0.00 H new ATOM 0 HG2 ARG A 56 92.478 1.102 -3.408 1.00 0.00 H new ATOM 0 HG3 ARG A 56 93.995 1.400 -4.232 1.00 0.00 H new ATOM 0 HD2 ARG A 56 94.103 1.176 -1.648 1.00 0.00 H new ATOM 0 HD3 ARG A 56 94.938 2.547 -2.350 1.00 0.00 H new ATOM 0 HE ARG A 56 93.416 3.992 -1.215 1.00 0.00 H new ATOM 0 HH11 ARG A 56 91.532 4.395 -0.036 1.00 0.00 H new ATOM 0 HH12 ARG A 56 90.328 3.118 0.169 1.00 0.00 H new ATOM 0 HH21 ARG A 56 92.144 0.767 -1.673 1.00 0.00 H new ATOM 0 HH22 ARG A 56 90.672 1.083 -0.750 1.00 0.00 H new ATOM 921 N ASN A 57 94.850 4.693 -6.594 1.00 0.00 N ATOM 922 CA ASN A 57 96.195 5.329 -6.680 1.00 0.00 C ATOM 923 C ASN A 57 96.390 6.275 -5.494 1.00 0.00 C ATOM 924 O ASN A 57 95.450 6.859 -4.991 1.00 0.00 O ATOM 925 CB ASN A 57 96.299 6.123 -7.984 1.00 0.00 C ATOM 926 CG ASN A 57 95.310 7.291 -7.950 1.00 0.00 C ATOM 927 OD1 ASN A 57 94.159 7.138 -8.305 1.00 0.00 O ATOM 928 ND2 ASN A 57 95.715 8.459 -7.535 1.00 0.00 N ATOM 0 H ASN A 57 94.220 4.903 -7.369 1.00 0.00 H new ATOM 0 HA ASN A 57 96.964 4.556 -6.659 1.00 0.00 H new ATOM 0 HB2 ASN A 57 97.315 6.496 -8.115 1.00 0.00 H new ATOM 0 HB3 ASN A 57 96.085 5.476 -8.835 1.00 0.00 H new ATOM 0 HD21 ASN A 57 95.065 9.244 -7.509 1.00 0.00 H new ATOM 0 HD22 ASN A 57 96.682 8.587 -7.237 1.00 0.00 H new ATOM 935 N ILE A 58 97.604 6.418 -5.032 1.00 0.00 N ATOM 936 CA ILE A 58 97.859 7.310 -3.870 1.00 0.00 C ATOM 937 C ILE A 58 99.127 8.127 -4.097 1.00 0.00 C ATOM 938 O ILE A 58 99.853 7.938 -5.053 1.00 0.00 O ATOM 939 CB ILE A 58 98.046 6.480 -2.608 1.00 0.00 C ATOM 940 CG1 ILE A 58 97.154 5.246 -2.664 1.00 0.00 C ATOM 941 CG2 ILE A 58 97.676 7.318 -1.380 1.00 0.00 C ATOM 942 CD1 ILE A 58 97.216 4.541 -1.314 1.00 0.00 C ATOM 0 H ILE A 58 98.429 5.954 -5.412 1.00 0.00 H new ATOM 0 HA ILE A 58 97.004 7.976 -3.759 1.00 0.00 H new ATOM 0 HB ILE A 58 99.089 6.170 -2.537 1.00 0.00 H new ATOM 0 HG12 ILE A 58 96.128 5.531 -2.895 1.00 0.00 H new ATOM 0 HG13 ILE A 58 97.485 4.575 -3.457 1.00 0.00 H new ATOM 0 HG21 ILE A 58 97.811 6.721 -0.478 1.00 0.00 H new ATOM 0 HG22 ILE A 58 98.318 8.197 -1.333 1.00 0.00 H new ATOM 0 HG23 ILE A 58 96.635 7.633 -1.454 1.00 0.00 H new ATOM 0 HD11 ILE A 58 96.582 3.654 -1.337 1.00 0.00 H new ATOM 0 HD12 ILE A 58 98.244 4.247 -1.104 1.00 0.00 H new ATOM 0 HD13 ILE A 58 96.866 5.217 -0.534 1.00 0.00 H new ATOM 954 N GLU A 59 99.390 9.028 -3.202 1.00 0.00 N ATOM 955 CA GLU A 59 100.608 9.880 -3.308 1.00 0.00 C ATOM 956 C GLU A 59 101.185 10.089 -1.909 1.00 0.00 C ATOM 957 O GLU A 59 100.458 10.207 -0.941 1.00 0.00 O ATOM 958 CB GLU A 59 100.239 11.232 -3.927 1.00 0.00 C ATOM 959 CG GLU A 59 99.641 12.145 -2.852 1.00 0.00 C ATOM 960 CD GLU A 59 98.734 13.185 -3.512 1.00 0.00 C ATOM 961 OE1 GLU A 59 97.696 13.482 -2.944 1.00 0.00 O ATOM 962 OE2 GLU A 59 99.094 13.668 -4.573 1.00 0.00 O ATOM 0 H GLU A 59 98.806 9.217 -2.387 1.00 0.00 H new ATOM 0 HA GLU A 59 101.349 9.393 -3.942 1.00 0.00 H new ATOM 0 HB2 GLU A 59 101.123 11.697 -4.362 1.00 0.00 H new ATOM 0 HB3 GLU A 59 99.523 11.089 -4.736 1.00 0.00 H new ATOM 0 HG2 GLU A 59 99.072 11.555 -2.134 1.00 0.00 H new ATOM 0 HG3 GLU A 59 100.437 12.641 -2.297 1.00 0.00 H new ATOM 969 N CYS A 60 102.481 10.123 -1.785 1.00 0.00 N ATOM 970 CA CYS A 60 103.083 10.312 -0.436 1.00 0.00 C ATOM 971 C CYS A 60 104.433 11.022 -0.553 1.00 0.00 C ATOM 972 O CYS A 60 105.367 10.509 -1.136 1.00 0.00 O ATOM 973 CB CYS A 60 103.293 8.945 0.218 1.00 0.00 C ATOM 974 SG CYS A 60 101.751 8.394 0.988 1.00 0.00 S ATOM 0 H CYS A 60 103.146 10.029 -2.553 1.00 0.00 H new ATOM 0 HA CYS A 60 102.411 10.920 0.170 1.00 0.00 H new ATOM 0 HB2 CYS A 60 103.617 8.220 -0.528 1.00 0.00 H new ATOM 0 HB3 CYS A 60 104.083 9.007 0.967 1.00 0.00 H new ATOM 980 N VAL A 61 104.547 12.190 0.016 1.00 0.00 N ATOM 981 CA VAL A 61 105.840 12.919 -0.042 1.00 0.00 C ATOM 982 C VAL A 61 106.685 12.497 1.159 1.00 0.00 C ATOM 983 O VAL A 61 106.162 12.187 2.211 1.00 0.00 O ATOM 984 CB VAL A 61 105.586 14.426 0.011 1.00 0.00 C ATOM 985 CG1 VAL A 61 106.637 15.156 -0.827 1.00 0.00 C ATOM 986 CG2 VAL A 61 104.193 14.727 -0.547 1.00 0.00 C ATOM 0 H VAL A 61 103.800 12.669 0.518 1.00 0.00 H new ATOM 0 HA VAL A 61 106.362 12.683 -0.970 1.00 0.00 H new ATOM 0 HB VAL A 61 105.648 14.766 1.045 1.00 0.00 H new ATOM 0 HG11 VAL A 61 106.453 16.230 -0.787 1.00 0.00 H new ATOM 0 HG12 VAL A 61 107.630 14.943 -0.431 1.00 0.00 H new ATOM 0 HG13 VAL A 61 106.578 14.816 -1.861 1.00 0.00 H new ATOM 0 HG21 VAL A 61 104.010 15.801 -0.510 1.00 0.00 H new ATOM 0 HG22 VAL A 61 104.133 14.384 -1.580 1.00 0.00 H new ATOM 0 HG23 VAL A 61 103.442 14.210 0.051 1.00 0.00 H new ATOM 996 N PHE A 62 107.981 12.473 1.021 1.00 0.00 N ATOM 997 CA PHE A 62 108.830 12.058 2.172 1.00 0.00 C ATOM 998 C PHE A 62 110.054 12.965 2.292 1.00 0.00 C ATOM 999 O PHE A 62 110.390 13.709 1.392 1.00 0.00 O ATOM 1000 CB PHE A 62 109.294 10.611 1.980 1.00 0.00 C ATOM 1001 CG PHE A 62 108.115 9.665 2.077 1.00 0.00 C ATOM 1002 CD1 PHE A 62 107.923 8.693 1.088 1.00 0.00 C ATOM 1003 CD2 PHE A 62 107.220 9.753 3.153 1.00 0.00 C ATOM 1004 CE1 PHE A 62 106.839 7.811 1.174 1.00 0.00 C ATOM 1005 CE2 PHE A 62 106.137 8.871 3.236 1.00 0.00 C ATOM 1006 CZ PHE A 62 105.947 7.899 2.248 1.00 0.00 C ATOM 0 H PHE A 62 108.485 12.720 0.170 1.00 0.00 H new ATOM 0 HA PHE A 62 108.237 12.139 3.083 1.00 0.00 H new ATOM 0 HB2 PHE A 62 109.777 10.502 1.009 1.00 0.00 H new ATOM 0 HB3 PHE A 62 110.037 10.356 2.736 1.00 0.00 H new ATOM 0 HD1 PHE A 62 108.611 8.623 0.259 1.00 0.00 H new ATOM 0 HD2 PHE A 62 107.367 10.502 3.918 1.00 0.00 H new ATOM 0 HE1 PHE A 62 106.691 7.062 0.410 1.00 0.00 H new ATOM 0 HE2 PHE A 62 105.447 8.941 4.064 1.00 0.00 H new ATOM 0 HZ PHE A 62 105.112 7.217 2.314 1.00 0.00 H new ATOM 1016 N GLU A 63 110.725 12.896 3.410 1.00 0.00 N ATOM 1017 CA GLU A 63 111.935 13.733 3.628 1.00 0.00 C ATOM 1018 C GLU A 63 112.860 13.008 4.610 1.00 0.00 C ATOM 1019 O GLU A 63 112.484 12.021 5.209 1.00 0.00 O ATOM 1020 CB GLU A 63 111.521 15.086 4.211 1.00 0.00 C ATOM 1021 CG GLU A 63 112.769 15.927 4.490 1.00 0.00 C ATOM 1022 CD GLU A 63 112.413 17.413 4.415 1.00 0.00 C ATOM 1023 OE1 GLU A 63 111.262 17.738 4.652 1.00 0.00 O ATOM 1024 OE2 GLU A 63 113.298 18.200 4.122 1.00 0.00 O ATOM 0 H GLU A 63 110.481 12.286 4.191 1.00 0.00 H new ATOM 0 HA GLU A 63 112.453 13.897 2.683 1.00 0.00 H new ATOM 0 HB2 GLU A 63 110.866 15.609 3.514 1.00 0.00 H new ATOM 0 HB3 GLU A 63 110.955 14.939 5.131 1.00 0.00 H new ATOM 0 HG2 GLU A 63 113.168 15.688 5.475 1.00 0.00 H new ATOM 0 HG3 GLU A 63 113.548 15.692 3.765 1.00 0.00 H new ATOM 1031 N LEU A 64 114.065 13.477 4.776 1.00 0.00 N ATOM 1032 CA LEU A 64 115.001 12.798 5.713 1.00 0.00 C ATOM 1033 C LEU A 64 115.059 13.554 7.042 1.00 0.00 C ATOM 1034 O LEU A 64 115.451 14.703 7.098 1.00 0.00 O ATOM 1035 CB LEU A 64 116.400 12.759 5.093 1.00 0.00 C ATOM 1036 CG LEU A 64 116.333 12.073 3.728 1.00 0.00 C ATOM 1037 CD1 LEU A 64 117.720 12.082 3.084 1.00 0.00 C ATOM 1038 CD2 LEU A 64 115.865 10.627 3.908 1.00 0.00 C ATOM 0 H LEU A 64 114.441 14.299 4.304 1.00 0.00 H new ATOM 0 HA LEU A 64 114.647 11.783 5.895 1.00 0.00 H new ATOM 0 HB2 LEU A 64 116.790 13.771 4.985 1.00 0.00 H new ATOM 0 HB3 LEU A 64 117.085 12.222 5.749 1.00 0.00 H new ATOM 0 HG LEU A 64 115.631 12.606 3.087 1.00 0.00 H new ATOM 0 HD11 LEU A 64 117.673 11.593 2.111 1.00 0.00 H new ATOM 0 HD12 LEU A 64 118.055 13.111 2.957 1.00 0.00 H new ATOM 0 HD13 LEU A 64 118.422 11.548 3.724 1.00 0.00 H new ATOM 0 HD21 LEU A 64 115.817 10.137 2.936 1.00 0.00 H new ATOM 0 HD22 LEU A 64 116.568 10.094 4.549 1.00 0.00 H new ATOM 0 HD23 LEU A 64 114.877 10.619 4.368 1.00 0.00 H new ATOM 1050 N GLY A 65 114.684 12.913 8.118 1.00 0.00 N ATOM 1051 CA GLY A 65 114.734 13.593 9.446 1.00 0.00 C ATOM 1052 C GLY A 65 113.400 14.286 9.740 1.00 0.00 C ATOM 1053 O GLY A 65 113.338 15.227 10.505 1.00 0.00 O ATOM 0 H GLY A 65 114.346 11.951 8.135 1.00 0.00 H new ATOM 0 HA2 GLY A 65 114.953 12.865 10.227 1.00 0.00 H new ATOM 0 HA3 GLY A 65 115.542 14.325 9.457 1.00 0.00 H new ATOM 1057 N VAL A 66 112.331 13.829 9.147 1.00 0.00 N ATOM 1058 CA VAL A 66 111.009 14.466 9.407 1.00 0.00 C ATOM 1059 C VAL A 66 109.921 13.392 9.412 1.00 0.00 C ATOM 1060 O VAL A 66 109.500 12.921 8.376 1.00 0.00 O ATOM 1061 CB VAL A 66 110.711 15.490 8.312 1.00 0.00 C ATOM 1062 CG1 VAL A 66 109.465 16.292 8.688 1.00 0.00 C ATOM 1063 CG2 VAL A 66 111.902 16.439 8.164 1.00 0.00 C ATOM 0 H VAL A 66 112.316 13.044 8.496 1.00 0.00 H new ATOM 0 HA VAL A 66 111.030 14.967 10.375 1.00 0.00 H new ATOM 0 HB VAL A 66 110.538 14.972 7.368 1.00 0.00 H new ATOM 0 HG11 VAL A 66 109.253 17.022 7.907 1.00 0.00 H new ATOM 0 HG12 VAL A 66 108.616 15.617 8.794 1.00 0.00 H new ATOM 0 HG13 VAL A 66 109.637 16.810 9.632 1.00 0.00 H new ATOM 0 HG21 VAL A 66 111.690 17.170 7.383 1.00 0.00 H new ATOM 0 HG22 VAL A 66 112.075 16.956 9.108 1.00 0.00 H new ATOM 0 HG23 VAL A 66 112.791 15.868 7.895 1.00 0.00 H new ATOM 1073 N THR A 67 109.460 12.999 10.569 1.00 0.00 N ATOM 1074 CA THR A 67 108.401 11.955 10.630 1.00 0.00 C ATOM 1075 C THR A 67 107.183 12.412 9.843 1.00 0.00 C ATOM 1076 O THR A 67 106.810 13.568 9.847 1.00 0.00 O ATOM 1077 CB THR A 67 107.993 11.715 12.082 1.00 0.00 C ATOM 1078 OG1 THR A 67 109.108 11.946 12.932 1.00 0.00 O ATOM 1079 CG2 THR A 67 107.504 10.273 12.253 1.00 0.00 C ATOM 0 H THR A 67 109.771 13.356 11.472 1.00 0.00 H new ATOM 0 HA THR A 67 108.791 11.032 10.201 1.00 0.00 H new ATOM 0 HB THR A 67 107.187 12.399 12.347 1.00 0.00 H new ATOM 0 HG1 THR A 67 108.846 11.794 13.864 1.00 0.00 H new ATOM 0 HG21 THR A 67 107.214 10.108 13.291 1.00 0.00 H new ATOM 0 HG22 THR A 67 106.645 10.101 11.605 1.00 0.00 H new ATOM 0 HG23 THR A 67 108.304 9.583 11.985 1.00 0.00 H new ATOM 1087 N PHE A 68 106.555 11.492 9.189 1.00 0.00 N ATOM 1088 CA PHE A 68 105.337 11.816 8.405 1.00 0.00 C ATOM 1089 C PHE A 68 104.470 10.567 8.359 1.00 0.00 C ATOM 1090 O PHE A 68 104.738 9.602 9.044 1.00 0.00 O ATOM 1091 CB PHE A 68 105.699 12.257 6.984 1.00 0.00 C ATOM 1092 CG PHE A 68 107.025 11.665 6.578 1.00 0.00 C ATOM 1093 CD1 PHE A 68 107.163 10.280 6.439 1.00 0.00 C ATOM 1094 CD2 PHE A 68 108.115 12.507 6.330 1.00 0.00 C ATOM 1095 CE1 PHE A 68 108.396 9.736 6.052 1.00 0.00 C ATOM 1096 CE2 PHE A 68 109.345 11.965 5.947 1.00 0.00 C ATOM 1097 CZ PHE A 68 109.485 10.580 5.806 1.00 0.00 C ATOM 0 H PHE A 68 106.835 10.511 9.161 1.00 0.00 H new ATOM 0 HA PHE A 68 104.803 12.641 8.877 1.00 0.00 H new ATOM 0 HB2 PHE A 68 104.922 11.940 6.288 1.00 0.00 H new ATOM 0 HB3 PHE A 68 105.747 13.345 6.934 1.00 0.00 H new ATOM 0 HD1 PHE A 68 106.321 9.631 6.629 1.00 0.00 H new ATOM 0 HD2 PHE A 68 108.006 13.576 6.435 1.00 0.00 H new ATOM 0 HE1 PHE A 68 108.505 8.667 5.944 1.00 0.00 H new ATOM 0 HE2 PHE A 68 110.187 12.615 5.760 1.00 0.00 H new ATOM 0 HZ PHE A 68 110.435 10.162 5.507 1.00 0.00 H new ATOM 1107 N ASN A 69 103.434 10.566 7.575 1.00 0.00 N ATOM 1108 CA ASN A 69 102.571 9.362 7.526 1.00 0.00 C ATOM 1109 C ASN A 69 102.162 9.056 6.087 1.00 0.00 C ATOM 1110 O ASN A 69 102.021 9.937 5.262 1.00 0.00 O ATOM 1111 CB ASN A 69 101.318 9.598 8.372 1.00 0.00 C ATOM 1112 CG ASN A 69 100.366 10.534 7.626 1.00 0.00 C ATOM 1113 OD1 ASN A 69 99.209 10.216 7.432 1.00 0.00 O ATOM 1114 ND2 ASN A 69 100.804 11.687 7.197 1.00 0.00 N ATOM 0 H ASN A 69 103.150 11.338 6.972 1.00 0.00 H new ATOM 0 HA ASN A 69 103.130 8.513 7.921 1.00 0.00 H new ATOM 0 HB2 ASN A 69 100.823 8.649 8.580 1.00 0.00 H new ATOM 0 HB3 ASN A 69 101.592 10.032 9.333 1.00 0.00 H new ATOM 0 HD21 ASN A 69 100.176 12.319 6.700 1.00 0.00 H new ATOM 0 HD22 ASN A 69 101.775 11.956 7.359 1.00 0.00 H new ATOM 1121 N CYS A 70 101.957 7.804 5.793 1.00 0.00 N ATOM 1122 CA CYS A 70 101.541 7.403 4.425 1.00 0.00 C ATOM 1123 C CYS A 70 100.732 6.114 4.536 1.00 0.00 C ATOM 1124 O CYS A 70 101.093 5.211 5.263 1.00 0.00 O ATOM 1125 CB CYS A 70 102.775 7.164 3.555 1.00 0.00 C ATOM 1126 SG CYS A 70 102.251 6.661 1.897 1.00 0.00 S ATOM 0 H CYS A 70 102.062 7.033 6.452 1.00 0.00 H new ATOM 0 HA CYS A 70 100.941 8.190 3.968 1.00 0.00 H new ATOM 0 HB2 CYS A 70 103.376 8.072 3.499 1.00 0.00 H new ATOM 0 HB3 CYS A 70 103.404 6.393 4.000 1.00 0.00 H new ATOM 1132 N ASN A 71 99.634 6.020 3.844 1.00 0.00 N ATOM 1133 CA ASN A 71 98.811 4.785 3.946 1.00 0.00 C ATOM 1134 C ASN A 71 99.108 3.856 2.771 1.00 0.00 C ATOM 1135 O ASN A 71 99.342 4.291 1.661 1.00 0.00 O ATOM 1136 CB ASN A 71 97.327 5.156 3.943 1.00 0.00 C ATOM 1137 CG ASN A 71 97.085 6.288 2.944 1.00 0.00 C ATOM 1138 OD1 ASN A 71 97.359 7.438 3.229 1.00 0.00 O ATOM 1139 ND2 ASN A 71 96.579 6.011 1.772 1.00 0.00 N ATOM 0 H ASN A 71 99.272 6.738 3.217 1.00 0.00 H new ATOM 0 HA ASN A 71 99.057 4.271 4.875 1.00 0.00 H new ATOM 0 HB2 ASN A 71 96.725 4.287 3.677 1.00 0.00 H new ATOM 0 HB3 ASN A 71 97.017 5.465 4.941 1.00 0.00 H new ATOM 0 HD21 ASN A 71 96.414 6.759 1.098 1.00 0.00 H new ATOM 0 HD22 ASN A 71 96.348 5.047 1.531 1.00 0.00 H new ATOM 1146 N LEU A 72 99.099 2.573 3.012 1.00 0.00 N ATOM 1147 CA LEU A 72 99.378 1.606 1.913 1.00 0.00 C ATOM 1148 C LEU A 72 98.063 1.190 1.251 1.00 0.00 C ATOM 1149 O LEU A 72 97.033 1.102 1.893 1.00 0.00 O ATOM 1150 CB LEU A 72 100.071 0.366 2.482 1.00 0.00 C ATOM 1151 CG LEU A 72 101.543 0.676 2.757 1.00 0.00 C ATOM 1152 CD1 LEU A 72 102.068 -0.272 3.838 1.00 0.00 C ATOM 1153 CD2 LEU A 72 102.357 0.484 1.474 1.00 0.00 C ATOM 0 H LEU A 72 98.911 2.153 3.922 1.00 0.00 H new ATOM 0 HA LEU A 72 100.026 2.079 1.175 1.00 0.00 H new ATOM 0 HB2 LEU A 72 99.578 0.052 3.402 1.00 0.00 H new ATOM 0 HB3 LEU A 72 99.990 -0.463 1.778 1.00 0.00 H new ATOM 0 HG LEU A 72 101.639 1.708 3.096 1.00 0.00 H new ATOM 0 HD11 LEU A 72 103.117 -0.053 4.036 1.00 0.00 H new ATOM 0 HD12 LEU A 72 101.490 -0.137 4.752 1.00 0.00 H new ATOM 0 HD13 LEU A 72 101.971 -1.303 3.497 1.00 0.00 H new ATOM 0 HD21 LEU A 72 103.406 0.705 1.672 1.00 0.00 H new ATOM 0 HD22 LEU A 72 102.262 -0.547 1.134 1.00 0.00 H new ATOM 0 HD23 LEU A 72 101.984 1.157 0.702 1.00 0.00 H new ATOM 1165 N ALA A 73 98.096 0.930 -0.030 1.00 0.00 N ATOM 1166 CA ALA A 73 96.855 0.518 -0.747 1.00 0.00 C ATOM 1167 C ALA A 73 96.090 -0.506 0.093 1.00 0.00 C ATOM 1168 O ALA A 73 94.876 -0.542 0.087 1.00 0.00 O ATOM 1169 CB ALA A 73 97.229 -0.106 -2.093 1.00 0.00 C ATOM 0 H ALA A 73 98.932 0.986 -0.611 1.00 0.00 H new ATOM 0 HA ALA A 73 96.226 1.393 -0.911 1.00 0.00 H new ATOM 0 HB1 ALA A 73 96.323 -0.408 -2.618 1.00 0.00 H new ATOM 0 HB2 ALA A 73 97.771 0.624 -2.694 1.00 0.00 H new ATOM 0 HB3 ALA A 73 97.860 -0.979 -1.926 1.00 0.00 H new ATOM 1175 N ASP A 74 96.789 -1.336 0.817 1.00 0.00 N ATOM 1176 CA ASP A 74 96.093 -2.351 1.655 1.00 0.00 C ATOM 1177 C ASP A 74 95.147 -1.641 2.624 1.00 0.00 C ATOM 1178 O ASP A 74 94.508 -2.261 3.451 1.00 0.00 O ATOM 1179 CB ASP A 74 97.126 -3.156 2.446 1.00 0.00 C ATOM 1180 CG ASP A 74 98.379 -3.360 1.592 1.00 0.00 C ATOM 1181 OD1 ASP A 74 99.394 -2.764 1.913 1.00 0.00 O ATOM 1182 OD2 ASP A 74 98.301 -4.108 0.632 1.00 0.00 O ATOM 0 H ASP A 74 97.808 -1.355 0.864 1.00 0.00 H new ATOM 0 HA ASP A 74 95.523 -3.025 1.016 1.00 0.00 H new ATOM 0 HB2 ASP A 74 97.382 -2.633 3.367 1.00 0.00 H new ATOM 0 HB3 ASP A 74 96.708 -4.121 2.733 1.00 0.00 H new ATOM 1187 N GLY A 75 95.053 -0.342 2.529 1.00 0.00 N ATOM 1188 CA GLY A 75 94.151 0.410 3.444 1.00 0.00 C ATOM 1189 C GLY A 75 94.824 0.560 4.807 1.00 0.00 C ATOM 1190 O GLY A 75 94.170 0.708 5.820 1.00 0.00 O ATOM 0 H GLY A 75 95.563 0.230 1.856 1.00 0.00 H new ATOM 0 HA2 GLY A 75 93.927 1.392 3.026 1.00 0.00 H new ATOM 0 HA3 GLY A 75 93.202 -0.115 3.550 1.00 0.00 H new ATOM 1194 N THR A 76 96.129 0.521 4.843 1.00 0.00 N ATOM 1195 CA THR A 76 96.841 0.658 6.136 1.00 0.00 C ATOM 1196 C THR A 76 97.358 2.087 6.290 1.00 0.00 C ATOM 1197 O THR A 76 97.475 2.826 5.334 1.00 0.00 O ATOM 1198 CB THR A 76 98.024 -0.305 6.181 1.00 0.00 C ATOM 1199 OG1 THR A 76 97.844 -1.323 5.208 1.00 0.00 O ATOM 1200 CG2 THR A 76 98.131 -0.931 7.572 1.00 0.00 C ATOM 0 H THR A 76 96.730 0.400 4.028 1.00 0.00 H new ATOM 0 HA THR A 76 96.149 0.426 6.946 1.00 0.00 H new ATOM 0 HB THR A 76 98.942 0.242 5.966 1.00 0.00 H new ATOM 0 HG1 THR A 76 98.719 -1.630 4.890 1.00 0.00 H new ATOM 0 HG21 THR A 76 98.977 -1.617 7.598 1.00 0.00 H new ATOM 0 HG22 THR A 76 98.278 -0.146 8.314 1.00 0.00 H new ATOM 0 HG23 THR A 76 97.214 -1.476 7.797 1.00 0.00 H new ATOM 1208 N GLU A 77 97.672 2.468 7.491 1.00 0.00 N ATOM 1209 CA GLU A 77 98.194 3.836 7.741 1.00 0.00 C ATOM 1210 C GLU A 77 99.426 3.740 8.642 1.00 0.00 C ATOM 1211 O GLU A 77 99.376 3.147 9.699 1.00 0.00 O ATOM 1212 CB GLU A 77 97.117 4.675 8.430 1.00 0.00 C ATOM 1213 CG GLU A 77 97.367 6.153 8.142 1.00 0.00 C ATOM 1214 CD GLU A 77 96.307 7.000 8.849 1.00 0.00 C ATOM 1215 OE1 GLU A 77 95.483 7.577 8.159 1.00 0.00 O ATOM 1216 OE2 GLU A 77 96.338 7.056 10.067 1.00 0.00 O ATOM 0 H GLU A 77 97.588 1.883 8.322 1.00 0.00 H new ATOM 0 HA GLU A 77 98.465 4.308 6.796 1.00 0.00 H new ATOM 0 HB2 GLU A 77 96.129 4.385 8.072 1.00 0.00 H new ATOM 0 HB3 GLU A 77 97.132 4.495 9.505 1.00 0.00 H new ATOM 0 HG2 GLU A 77 98.362 6.437 8.484 1.00 0.00 H new ATOM 0 HG3 GLU A 77 97.335 6.335 7.068 1.00 0.00 H new ATOM 1223 N LEU A 78 100.537 4.303 8.237 1.00 0.00 N ATOM 1224 CA LEU A 78 101.760 4.213 9.093 1.00 0.00 C ATOM 1225 C LEU A 78 102.481 5.566 9.147 1.00 0.00 C ATOM 1226 O LEU A 78 102.229 6.451 8.355 1.00 0.00 O ATOM 1227 CB LEU A 78 102.716 3.155 8.526 1.00 0.00 C ATOM 1228 CG LEU A 78 102.241 2.712 7.140 1.00 0.00 C ATOM 1229 CD1 LEU A 78 103.417 2.103 6.374 1.00 0.00 C ATOM 1230 CD2 LEU A 78 101.125 1.669 7.285 1.00 0.00 C ATOM 0 H LEU A 78 100.650 4.815 7.362 1.00 0.00 H new ATOM 0 HA LEU A 78 101.454 3.932 10.101 1.00 0.00 H new ATOM 0 HB2 LEU A 78 103.725 3.562 8.461 1.00 0.00 H new ATOM 0 HB3 LEU A 78 102.761 2.296 9.196 1.00 0.00 H new ATOM 0 HG LEU A 78 101.857 3.574 6.594 1.00 0.00 H new ATOM 0 HD11 LEU A 78 103.083 1.786 5.386 1.00 0.00 H new ATOM 0 HD12 LEU A 78 104.207 2.847 6.269 1.00 0.00 H new ATOM 0 HD13 LEU A 78 103.800 1.242 6.921 1.00 0.00 H new ATOM 0 HD21 LEU A 78 100.789 1.356 6.297 1.00 0.00 H new ATOM 0 HD22 LEU A 78 101.504 0.805 7.830 1.00 0.00 H new ATOM 0 HD23 LEU A 78 100.288 2.105 7.831 1.00 0.00 H new ATOM 1242 N ARG A 79 103.380 5.724 10.088 1.00 0.00 N ATOM 1243 CA ARG A 79 104.129 7.011 10.209 1.00 0.00 C ATOM 1244 C ARG A 79 105.543 6.745 10.737 1.00 0.00 C ATOM 1245 O ARG A 79 105.749 5.883 11.570 1.00 0.00 O ATOM 1246 CB ARG A 79 103.377 7.937 11.174 1.00 0.00 C ATOM 1247 CG ARG A 79 104.366 8.843 11.914 1.00 0.00 C ATOM 1248 CD ARG A 79 103.610 10.008 12.556 1.00 0.00 C ATOM 1249 NE ARG A 79 103.084 10.905 11.489 1.00 0.00 N ATOM 1250 CZ ARG A 79 102.232 11.847 11.790 1.00 0.00 C ATOM 1251 NH1 ARG A 79 101.771 12.632 10.856 1.00 0.00 N ATOM 1252 NH2 ARG A 79 101.841 12.002 13.026 1.00 0.00 N ATOM 0 H ARG A 79 103.627 5.015 10.778 1.00 0.00 H new ATOM 0 HA ARG A 79 104.205 7.484 9.230 1.00 0.00 H new ATOM 0 HB2 ARG A 79 102.659 8.544 10.622 1.00 0.00 H new ATOM 0 HB3 ARG A 79 102.809 7.344 11.891 1.00 0.00 H new ATOM 0 HG2 ARG A 79 104.895 8.274 12.678 1.00 0.00 H new ATOM 0 HG3 ARG A 79 105.118 9.221 11.221 1.00 0.00 H new ATOM 0 HD2 ARG A 79 102.790 9.631 13.167 1.00 0.00 H new ATOM 0 HD3 ARG A 79 104.272 10.564 13.220 1.00 0.00 H new ATOM 0 HE ARG A 79 103.390 10.783 10.524 1.00 0.00 H new ATOM 0 HH11 ARG A 79 102.076 12.510 9.890 1.00 0.00 H new ATOM 0 HH12 ARG A 79 101.105 13.368 11.091 1.00 0.00 H new ATOM 0 HH21 ARG A 79 102.201 11.387 13.756 1.00 0.00 H new ATOM 0 HH22 ARG A 79 101.175 12.738 13.262 1.00 0.00 H new ATOM 1266 N GLY A 80 106.523 7.477 10.258 1.00 0.00 N ATOM 1267 CA GLY A 80 107.906 7.269 10.728 1.00 0.00 C ATOM 1268 C GLY A 80 108.840 8.064 9.824 1.00 0.00 C ATOM 1269 O GLY A 80 108.726 9.265 9.711 1.00 0.00 O ATOM 0 H GLY A 80 106.410 8.210 9.558 1.00 0.00 H new ATOM 0 HA2 GLY A 80 108.009 7.596 11.763 1.00 0.00 H new ATOM 0 HA3 GLY A 80 108.161 6.210 10.701 1.00 0.00 H new ATOM 1273 N THR A 81 109.744 7.408 9.160 1.00 0.00 N ATOM 1274 CA THR A 81 110.673 8.148 8.252 1.00 0.00 C ATOM 1275 C THR A 81 111.753 7.212 7.712 1.00 0.00 C ATOM 1276 O THR A 81 112.048 6.183 8.287 1.00 0.00 O ATOM 1277 CB THR A 81 111.351 9.289 9.026 1.00 0.00 C ATOM 1278 OG1 THR A 81 110.936 9.260 10.383 1.00 0.00 O ATOM 1279 CG2 THR A 81 110.974 10.634 8.405 1.00 0.00 C ATOM 0 H THR A 81 109.884 6.399 9.202 1.00 0.00 H new ATOM 0 HA THR A 81 110.094 8.549 7.420 1.00 0.00 H new ATOM 0 HB THR A 81 112.432 9.160 8.975 1.00 0.00 H new ATOM 0 HG1 THR A 81 110.115 9.785 10.485 1.00 0.00 H new ATOM 0 HG21 THR A 81 111.458 11.439 8.958 1.00 0.00 H new ATOM 0 HG22 THR A 81 111.302 10.660 7.366 1.00 0.00 H new ATOM 0 HG23 THR A 81 109.893 10.764 8.447 1.00 0.00 H new ATOM 1287 N TRP A 82 112.359 7.581 6.616 1.00 0.00 N ATOM 1288 CA TRP A 82 113.441 6.733 6.040 1.00 0.00 C ATOM 1289 C TRP A 82 114.797 7.345 6.387 1.00 0.00 C ATOM 1290 O TRP A 82 114.957 8.550 6.413 1.00 0.00 O ATOM 1291 CB TRP A 82 113.309 6.658 4.518 1.00 0.00 C ATOM 1292 CG TRP A 82 111.876 6.502 4.137 1.00 0.00 C ATOM 1293 CD1 TRP A 82 110.955 7.486 4.179 1.00 0.00 C ATOM 1294 CD2 TRP A 82 111.190 5.315 3.650 1.00 0.00 C ATOM 1295 NE1 TRP A 82 109.740 6.981 3.754 1.00 0.00 N ATOM 1296 CE2 TRP A 82 109.834 5.644 3.414 1.00 0.00 C ATOM 1297 CE3 TRP A 82 111.608 3.997 3.394 1.00 0.00 C ATOM 1298 CZ2 TRP A 82 108.925 4.697 2.941 1.00 0.00 C ATOM 1299 CZ3 TRP A 82 110.698 3.041 2.917 1.00 0.00 C ATOM 1300 CH2 TRP A 82 109.358 3.391 2.690 1.00 0.00 C ATOM 0 H TRP A 82 112.151 8.433 6.095 1.00 0.00 H new ATOM 0 HA TRP A 82 113.359 5.729 6.456 1.00 0.00 H new ATOM 0 HB2 TRP A 82 113.718 7.561 4.064 1.00 0.00 H new ATOM 0 HB3 TRP A 82 113.889 5.818 4.135 1.00 0.00 H new ATOM 0 HD1 TRP A 82 111.137 8.503 4.493 1.00 0.00 H new ATOM 0 HE1 TRP A 82 108.880 7.527 3.698 1.00 0.00 H new ATOM 0 HE3 TRP A 82 112.637 3.718 3.566 1.00 0.00 H new ATOM 0 HZ2 TRP A 82 107.894 4.971 2.770 1.00 0.00 H new ATOM 0 HZ3 TRP A 82 111.030 2.032 2.724 1.00 0.00 H new ATOM 0 HH2 TRP A 82 108.662 2.652 2.322 1.00 0.00 H new ATOM 1311 N SER A 83 115.775 6.527 6.654 1.00 0.00 N ATOM 1312 CA SER A 83 117.121 7.061 6.997 1.00 0.00 C ATOM 1313 C SER A 83 118.170 6.205 6.298 1.00 0.00 C ATOM 1314 O SER A 83 117.914 5.078 5.944 1.00 0.00 O ATOM 1315 CB SER A 83 117.329 7.000 8.512 1.00 0.00 C ATOM 1316 OG SER A 83 116.866 8.209 9.098 1.00 0.00 O ATOM 0 H SER A 83 115.700 5.510 6.649 1.00 0.00 H new ATOM 0 HA SER A 83 117.208 8.098 6.672 1.00 0.00 H new ATOM 0 HB2 SER A 83 116.791 6.150 8.931 1.00 0.00 H new ATOM 0 HB3 SER A 83 118.385 6.853 8.740 1.00 0.00 H new ATOM 0 HG SER A 83 116.996 8.173 10.069 1.00 0.00 H new ATOM 1322 N LEU A 84 119.342 6.712 6.074 1.00 0.00 N ATOM 1323 CA LEU A 84 120.360 5.880 5.400 1.00 0.00 C ATOM 1324 C LEU A 84 121.250 5.245 6.474 1.00 0.00 C ATOM 1325 O LEU A 84 121.758 5.915 7.350 1.00 0.00 O ATOM 1326 CB LEU A 84 121.183 6.758 4.446 1.00 0.00 C ATOM 1327 CG LEU A 84 122.671 6.442 4.589 1.00 0.00 C ATOM 1328 CD1 LEU A 84 122.953 5.031 4.067 1.00 0.00 C ATOM 1329 CD2 LEU A 84 123.485 7.459 3.783 1.00 0.00 C ATOM 0 H LEU A 84 119.636 7.656 6.326 1.00 0.00 H new ATOM 0 HA LEU A 84 119.891 5.090 4.813 1.00 0.00 H new ATOM 0 HB2 LEU A 84 120.865 6.587 3.418 1.00 0.00 H new ATOM 0 HB3 LEU A 84 121.005 7.811 4.664 1.00 0.00 H new ATOM 0 HG LEU A 84 122.954 6.498 5.640 1.00 0.00 H new ATOM 0 HD11 LEU A 84 124.015 4.810 4.171 1.00 0.00 H new ATOM 0 HD12 LEU A 84 122.374 4.308 4.642 1.00 0.00 H new ATOM 0 HD13 LEU A 84 122.671 4.969 3.016 1.00 0.00 H new ATOM 0 HD21 LEU A 84 124.547 7.236 3.883 1.00 0.00 H new ATOM 0 HD22 LEU A 84 123.200 7.403 2.732 1.00 0.00 H new ATOM 0 HD23 LEU A 84 123.288 8.463 4.159 1.00 0.00 H new ATOM 1341 N GLU A 85 121.437 3.959 6.412 1.00 0.00 N ATOM 1342 CA GLU A 85 122.290 3.273 7.416 1.00 0.00 C ATOM 1343 C GLU A 85 123.272 2.373 6.675 1.00 0.00 C ATOM 1344 O GLU A 85 122.885 1.556 5.863 1.00 0.00 O ATOM 1345 CB GLU A 85 121.417 2.434 8.354 1.00 0.00 C ATOM 1346 CG GLU A 85 120.900 1.200 7.611 1.00 0.00 C ATOM 1347 CD GLU A 85 121.933 0.075 7.704 1.00 0.00 C ATOM 1348 OE1 GLU A 85 121.619 -1.028 7.288 1.00 0.00 O ATOM 1349 OE2 GLU A 85 123.021 0.335 8.191 1.00 0.00 O ATOM 0 H GLU A 85 121.032 3.349 5.702 1.00 0.00 H new ATOM 0 HA GLU A 85 122.832 4.007 8.012 1.00 0.00 H new ATOM 0 HB2 GLU A 85 121.993 2.129 9.228 1.00 0.00 H new ATOM 0 HB3 GLU A 85 120.579 3.030 8.717 1.00 0.00 H new ATOM 0 HG2 GLU A 85 119.953 0.874 8.041 1.00 0.00 H new ATOM 0 HG3 GLU A 85 120.708 1.446 6.567 1.00 0.00 H new ATOM 1356 N GLY A 86 124.540 2.526 6.921 1.00 0.00 N ATOM 1357 CA GLY A 86 125.527 1.684 6.198 1.00 0.00 C ATOM 1358 C GLY A 86 125.320 1.881 4.696 1.00 0.00 C ATOM 1359 O GLY A 86 125.611 2.929 4.155 1.00 0.00 O ATOM 0 H GLY A 86 124.933 3.192 7.586 1.00 0.00 H new ATOM 0 HA2 GLY A 86 126.542 1.962 6.481 1.00 0.00 H new ATOM 0 HA3 GLY A 86 125.398 0.635 6.464 1.00 0.00 H new ATOM 1363 N ASN A 87 124.813 0.887 4.018 1.00 0.00 N ATOM 1364 CA ASN A 87 124.584 1.027 2.551 1.00 0.00 C ATOM 1365 C ASN A 87 123.125 0.707 2.210 1.00 0.00 C ATOM 1366 O ASN A 87 122.838 0.168 1.159 1.00 0.00 O ATOM 1367 CB ASN A 87 125.505 0.065 1.799 1.00 0.00 C ATOM 1368 CG ASN A 87 125.715 0.569 0.370 1.00 0.00 C ATOM 1369 OD1 ASN A 87 126.720 1.181 0.071 1.00 0.00 O ATOM 1370 ND2 ASN A 87 124.801 0.336 -0.532 1.00 0.00 N ATOM 0 H ASN A 87 124.548 -0.014 4.415 1.00 0.00 H new ATOM 0 HA ASN A 87 124.800 2.053 2.254 1.00 0.00 H new ATOM 0 HB2 ASN A 87 126.463 -0.013 2.312 1.00 0.00 H new ATOM 0 HB3 ASN A 87 125.069 -0.934 1.783 1.00 0.00 H new ATOM 0 HD21 ASN A 87 124.931 0.668 -1.488 1.00 0.00 H new ATOM 0 HD22 ASN A 87 123.956 -0.178 -0.281 1.00 0.00 H new ATOM 1377 N LYS A 88 122.196 1.023 3.076 1.00 0.00 N ATOM 1378 CA LYS A 88 120.772 0.714 2.767 1.00 0.00 C ATOM 1379 C LYS A 88 119.869 1.849 3.252 1.00 0.00 C ATOM 1380 O LYS A 88 120.211 2.584 4.158 1.00 0.00 O ATOM 1381 CB LYS A 88 120.367 -0.585 3.469 1.00 0.00 C ATOM 1382 CG LYS A 88 121.373 -1.690 3.134 1.00 0.00 C ATOM 1383 CD LYS A 88 122.506 -1.693 4.165 1.00 0.00 C ATOM 1384 CE LYS A 88 122.192 -2.707 5.268 1.00 0.00 C ATOM 1385 NZ LYS A 88 122.373 -4.088 4.738 1.00 0.00 N ATOM 0 H LYS A 88 122.361 1.477 3.974 1.00 0.00 H new ATOM 0 HA LYS A 88 120.661 0.603 1.688 1.00 0.00 H new ATOM 0 HB2 LYS A 88 120.329 -0.430 4.547 1.00 0.00 H new ATOM 0 HB3 LYS A 88 119.367 -0.883 3.154 1.00 0.00 H new ATOM 0 HG2 LYS A 88 120.873 -2.659 3.127 1.00 0.00 H new ATOM 0 HG3 LYS A 88 121.779 -1.533 2.135 1.00 0.00 H new ATOM 0 HD2 LYS A 88 123.450 -1.946 3.682 1.00 0.00 H new ATOM 0 HD3 LYS A 88 122.624 -0.698 4.594 1.00 0.00 H new ATOM 0 HE2 LYS A 88 122.848 -2.545 6.123 1.00 0.00 H new ATOM 0 HE3 LYS A 88 121.169 -2.572 5.621 1.00 0.00 H new ATOM 0 HZ1 LYS A 88 122.564 -4.740 5.526 1.00 0.00 H new ATOM 0 HZ2 LYS A 88 121.508 -4.386 4.244 1.00 0.00 H new ATOM 0 HZ3 LYS A 88 123.174 -4.103 4.074 1.00 0.00 H new ATOM 1399 N LEU A 89 118.710 1.988 2.665 1.00 0.00 N ATOM 1400 CA LEU A 89 117.778 3.062 3.102 1.00 0.00 C ATOM 1401 C LEU A 89 116.759 2.452 4.065 1.00 0.00 C ATOM 1402 O LEU A 89 115.932 1.650 3.680 1.00 0.00 O ATOM 1403 CB LEU A 89 117.059 3.647 1.880 1.00 0.00 C ATOM 1404 CG LEU A 89 117.735 4.954 1.460 1.00 0.00 C ATOM 1405 CD1 LEU A 89 117.308 5.314 0.036 1.00 0.00 C ATOM 1406 CD2 LEU A 89 117.323 6.080 2.415 1.00 0.00 C ATOM 0 H LEU A 89 118.370 1.403 1.902 1.00 0.00 H new ATOM 0 HA LEU A 89 118.328 3.861 3.600 1.00 0.00 H new ATOM 0 HB2 LEU A 89 117.082 2.933 1.056 1.00 0.00 H new ATOM 0 HB3 LEU A 89 116.010 3.828 2.115 1.00 0.00 H new ATOM 0 HG LEU A 89 118.817 4.827 1.497 1.00 0.00 H new ATOM 0 HD11 LEU A 89 117.789 6.245 -0.264 1.00 0.00 H new ATOM 0 HD12 LEU A 89 117.604 4.517 -0.645 1.00 0.00 H new ATOM 0 HD13 LEU A 89 116.226 5.437 0.001 1.00 0.00 H new ATOM 0 HD21 LEU A 89 117.807 7.009 2.112 1.00 0.00 H new ATOM 0 HD22 LEU A 89 116.241 6.207 2.383 1.00 0.00 H new ATOM 0 HD23 LEU A 89 117.628 5.826 3.430 1.00 0.00 H new ATOM 1418 N ILE A 90 116.822 2.810 5.315 1.00 0.00 N ATOM 1419 CA ILE A 90 115.869 2.229 6.297 1.00 0.00 C ATOM 1420 C ILE A 90 114.526 2.946 6.225 1.00 0.00 C ATOM 1421 O ILE A 90 114.397 4.012 5.661 1.00 0.00 O ATOM 1422 CB ILE A 90 116.427 2.332 7.710 1.00 0.00 C ATOM 1423 CG1 ILE A 90 117.313 3.558 7.826 1.00 0.00 C ATOM 1424 CG2 ILE A 90 117.250 1.081 8.027 1.00 0.00 C ATOM 1425 CD1 ILE A 90 117.672 3.756 9.288 1.00 0.00 C ATOM 0 H ILE A 90 117.491 3.478 5.698 1.00 0.00 H new ATOM 0 HA ILE A 90 115.726 1.178 6.048 1.00 0.00 H new ATOM 0 HB ILE A 90 115.600 2.416 8.415 1.00 0.00 H new ATOM 0 HG12 ILE A 90 118.216 3.431 7.228 1.00 0.00 H new ATOM 0 HG13 ILE A 90 116.796 4.437 7.440 1.00 0.00 H new ATOM 0 HG21 ILE A 90 117.649 1.155 9.038 1.00 0.00 H new ATOM 0 HG22 ILE A 90 116.615 0.199 7.951 1.00 0.00 H new ATOM 0 HG23 ILE A 90 118.073 0.997 7.317 1.00 0.00 H new ATOM 0 HD11 ILE A 90 118.310 4.634 9.390 1.00 0.00 H new ATOM 0 HD12 ILE A 90 116.762 3.899 9.870 1.00 0.00 H new ATOM 0 HD13 ILE A 90 118.203 2.877 9.654 1.00 0.00 H new ATOM 1437 N GLY A 91 113.529 2.345 6.802 1.00 0.00 N ATOM 1438 CA GLY A 91 112.166 2.940 6.802 1.00 0.00 C ATOM 1439 C GLY A 91 111.471 2.552 8.103 1.00 0.00 C ATOM 1440 O GLY A 91 110.893 1.490 8.220 1.00 0.00 O ATOM 0 H GLY A 91 113.601 1.449 7.283 1.00 0.00 H new ATOM 0 HA2 GLY A 91 112.226 4.025 6.713 1.00 0.00 H new ATOM 0 HA3 GLY A 91 111.595 2.581 5.946 1.00 0.00 H new ATOM 1444 N LYS A 92 111.523 3.399 9.082 1.00 0.00 N ATOM 1445 CA LYS A 92 110.868 3.076 10.376 1.00 0.00 C ATOM 1446 C LYS A 92 109.407 3.498 10.296 1.00 0.00 C ATOM 1447 O LYS A 92 109.089 4.661 10.383 1.00 0.00 O ATOM 1448 CB LYS A 92 111.568 3.825 11.512 1.00 0.00 C ATOM 1449 CG LYS A 92 111.310 5.327 11.373 1.00 0.00 C ATOM 1450 CD LYS A 92 112.505 6.108 11.924 1.00 0.00 C ATOM 1451 CE LYS A 92 112.730 5.732 13.389 1.00 0.00 C ATOM 1452 NZ LYS A 92 113.650 6.720 14.019 1.00 0.00 N ATOM 0 H LYS A 92 111.991 4.304 9.045 1.00 0.00 H new ATOM 0 HA LYS A 92 110.934 2.006 10.573 1.00 0.00 H new ATOM 0 HB2 LYS A 92 111.201 3.470 12.475 1.00 0.00 H new ATOM 0 HB3 LYS A 92 112.639 3.626 11.486 1.00 0.00 H new ATOM 0 HG2 LYS A 92 111.148 5.583 10.326 1.00 0.00 H new ATOM 0 HG3 LYS A 92 110.404 5.602 11.912 1.00 0.00 H new ATOM 0 HD2 LYS A 92 113.398 5.887 11.340 1.00 0.00 H new ATOM 0 HD3 LYS A 92 112.324 7.179 11.836 1.00 0.00 H new ATOM 0 HE2 LYS A 92 111.779 5.714 13.921 1.00 0.00 H new ATOM 0 HE3 LYS A 92 113.153 4.730 13.458 1.00 0.00 H new ATOM 0 HZ1 LYS A 92 113.804 6.465 15.015 1.00 0.00 H new ATOM 0 HZ2 LYS A 92 114.560 6.716 13.516 1.00 0.00 H new ATOM 0 HZ3 LYS A 92 113.229 7.670 13.966 1.00 0.00 H new ATOM 1466 N PHE A 93 108.522 2.564 10.111 1.00 0.00 N ATOM 1467 CA PHE A 93 107.078 2.903 10.001 1.00 0.00 C ATOM 1468 C PHE A 93 106.296 2.227 11.113 1.00 0.00 C ATOM 1469 O PHE A 93 106.596 1.128 11.529 1.00 0.00 O ATOM 1470 CB PHE A 93 106.545 2.415 8.647 1.00 0.00 C ATOM 1471 CG PHE A 93 106.831 3.429 7.556 1.00 0.00 C ATOM 1472 CD1 PHE A 93 107.378 4.680 7.869 1.00 0.00 C ATOM 1473 CD2 PHE A 93 106.542 3.109 6.224 1.00 0.00 C ATOM 1474 CE1 PHE A 93 107.635 5.607 6.853 1.00 0.00 C ATOM 1475 CE2 PHE A 93 106.799 4.037 5.208 1.00 0.00 C ATOM 1476 CZ PHE A 93 107.346 5.286 5.523 1.00 0.00 C ATOM 0 H PHE A 93 108.738 1.570 10.030 1.00 0.00 H new ATOM 0 HA PHE A 93 106.960 3.983 10.084 1.00 0.00 H new ATOM 0 HB2 PHE A 93 107.006 1.461 8.392 1.00 0.00 H new ATOM 0 HB3 PHE A 93 105.471 2.241 8.715 1.00 0.00 H new ATOM 0 HD1 PHE A 93 107.602 4.929 8.896 1.00 0.00 H new ATOM 0 HD2 PHE A 93 106.120 2.145 5.980 1.00 0.00 H new ATOM 0 HE1 PHE A 93 108.057 6.571 7.096 1.00 0.00 H new ATOM 0 HE2 PHE A 93 106.575 3.789 4.181 1.00 0.00 H new ATOM 0 HZ PHE A 93 107.545 6.002 4.739 1.00 0.00 H new ATOM 1486 N LYS A 94 105.281 2.884 11.584 1.00 0.00 N ATOM 1487 CA LYS A 94 104.444 2.295 12.658 1.00 0.00 C ATOM 1488 C LYS A 94 102.974 2.451 12.277 1.00 0.00 C ATOM 1489 O LYS A 94 102.492 3.546 12.060 1.00 0.00 O ATOM 1490 CB LYS A 94 104.718 3.005 13.986 1.00 0.00 C ATOM 1491 CG LYS A 94 103.974 4.341 14.022 1.00 0.00 C ATOM 1492 CD LYS A 94 104.530 5.198 15.159 1.00 0.00 C ATOM 1493 CE LYS A 94 103.591 6.378 15.416 1.00 0.00 C ATOM 1494 NZ LYS A 94 103.425 7.163 14.161 1.00 0.00 N ATOM 0 H LYS A 94 104.992 3.810 11.269 1.00 0.00 H new ATOM 0 HA LYS A 94 104.685 1.238 12.774 1.00 0.00 H new ATOM 0 HB2 LYS A 94 104.398 2.377 14.817 1.00 0.00 H new ATOM 0 HB3 LYS A 94 105.789 3.171 14.106 1.00 0.00 H new ATOM 0 HG2 LYS A 94 104.089 4.860 13.070 1.00 0.00 H new ATOM 0 HG3 LYS A 94 102.907 4.172 14.167 1.00 0.00 H new ATOM 0 HD2 LYS A 94 104.633 4.598 16.063 1.00 0.00 H new ATOM 0 HD3 LYS A 94 105.525 5.561 14.902 1.00 0.00 H new ATOM 0 HE2 LYS A 94 102.623 6.017 15.763 1.00 0.00 H new ATOM 0 HE3 LYS A 94 103.995 7.013 16.204 1.00 0.00 H new ATOM 0 HZ1 LYS A 94 103.655 8.161 14.343 1.00 0.00 H new ATOM 0 HZ2 LYS A 94 104.063 6.788 13.430 1.00 0.00 H new ATOM 0 HZ3 LYS A 94 102.441 7.089 13.833 1.00 0.00 H new ATOM 1508 N ARG A 95 102.260 1.364 12.184 1.00 0.00 N ATOM 1509 CA ARG A 95 100.824 1.451 11.808 1.00 0.00 C ATOM 1510 C ARG A 95 100.157 2.546 12.639 1.00 0.00 C ATOM 1511 O ARG A 95 100.055 2.447 13.843 1.00 0.00 O ATOM 1512 CB ARG A 95 100.139 0.111 12.083 1.00 0.00 C ATOM 1513 CG ARG A 95 100.698 -0.952 11.134 1.00 0.00 C ATOM 1514 CD ARG A 95 99.701 -2.106 11.014 1.00 0.00 C ATOM 1515 NE ARG A 95 98.382 -1.579 10.564 1.00 0.00 N ATOM 1516 CZ ARG A 95 97.383 -2.397 10.372 1.00 0.00 C ATOM 1517 NH1 ARG A 95 96.229 -1.935 9.977 1.00 0.00 N ATOM 1518 NH2 ARG A 95 97.539 -3.677 10.577 1.00 0.00 N ATOM 0 H ARG A 95 102.609 0.421 12.352 1.00 0.00 H new ATOM 0 HA ARG A 95 100.736 1.687 10.748 1.00 0.00 H new ATOM 0 HB2 ARG A 95 100.303 -0.188 13.118 1.00 0.00 H new ATOM 0 HB3 ARG A 95 99.062 0.206 11.946 1.00 0.00 H new ATOM 0 HG2 ARG A 95 100.885 -0.516 10.153 1.00 0.00 H new ATOM 0 HG3 ARG A 95 101.654 -1.321 11.507 1.00 0.00 H new ATOM 0 HD2 ARG A 95 100.070 -2.847 10.305 1.00 0.00 H new ATOM 0 HD3 ARG A 95 99.595 -2.610 11.975 1.00 0.00 H new ATOM 0 HE ARG A 95 98.260 -0.579 10.406 1.00 0.00 H new ATOM 0 HH11 ARG A 95 96.107 -0.935 9.818 1.00 0.00 H new ATOM 0 HH12 ARG A 95 95.448 -2.574 9.827 1.00 0.00 H new ATOM 0 HH21 ARG A 95 98.441 -4.038 10.887 1.00 0.00 H new ATOM 0 HH22 ARG A 95 96.759 -4.316 10.427 1.00 0.00 H new ATOM 1532 N THR A 96 99.709 3.592 12.010 1.00 0.00 N ATOM 1533 CA THR A 96 99.057 4.689 12.773 1.00 0.00 C ATOM 1534 C THR A 96 97.734 4.197 13.325 1.00 0.00 C ATOM 1535 O THR A 96 97.088 4.832 14.135 1.00 0.00 O ATOM 1536 CB THR A 96 98.818 5.876 11.845 1.00 0.00 C ATOM 1537 OG1 THR A 96 98.984 5.457 10.497 1.00 0.00 O ATOM 1538 CG2 THR A 96 99.818 6.983 12.161 1.00 0.00 C ATOM 0 H THR A 96 99.765 3.736 11.002 1.00 0.00 H new ATOM 0 HA THR A 96 99.700 4.998 13.597 1.00 0.00 H new ATOM 0 HB THR A 96 97.806 6.254 11.990 1.00 0.00 H new ATOM 0 HG1 THR A 96 99.703 5.976 10.079 1.00 0.00 H new ATOM 0 HG21 THR A 96 99.645 7.830 11.497 1.00 0.00 H new ATOM 0 HG22 THR A 96 99.693 7.302 13.196 1.00 0.00 H new ATOM 0 HG23 THR A 96 100.832 6.610 12.017 1.00 0.00 H new ATOM 1546 N ASP A 97 97.349 3.064 12.878 1.00 0.00 N ATOM 1547 CA ASP A 97 96.069 2.454 13.333 1.00 0.00 C ATOM 1548 C ASP A 97 96.270 1.813 14.706 1.00 0.00 C ATOM 1549 O ASP A 97 95.512 2.046 15.628 1.00 0.00 O ATOM 1550 CB ASP A 97 95.628 1.387 12.330 1.00 0.00 C ATOM 1551 CG ASP A 97 94.159 1.035 12.573 1.00 0.00 C ATOM 1552 OD1 ASP A 97 93.336 1.410 11.755 1.00 0.00 O ATOM 1553 OD2 ASP A 97 93.883 0.393 13.574 1.00 0.00 O ATOM 0 H ASP A 97 97.869 2.508 12.199 1.00 0.00 H new ATOM 0 HA ASP A 97 95.302 3.226 13.402 1.00 0.00 H new ATOM 0 HB2 ASP A 97 95.762 1.752 11.312 1.00 0.00 H new ATOM 0 HB3 ASP A 97 96.248 0.497 12.433 1.00 0.00 H new ATOM 1558 N ASN A 98 97.282 1.004 14.847 1.00 0.00 N ATOM 1559 CA ASN A 98 97.536 0.343 16.157 1.00 0.00 C ATOM 1560 C ASN A 98 99.014 0.485 16.533 1.00 0.00 C ATOM 1561 O ASN A 98 99.485 -0.124 17.473 1.00 0.00 O ATOM 1562 CB ASN A 98 97.178 -1.141 16.055 1.00 0.00 C ATOM 1563 CG ASN A 98 95.657 -1.304 16.109 1.00 0.00 C ATOM 1564 OD1 ASN A 98 94.949 -0.386 16.470 1.00 0.00 O ATOM 1565 ND2 ASN A 98 95.123 -2.443 15.761 1.00 0.00 N ATOM 0 H ASN A 98 97.946 0.771 14.109 1.00 0.00 H new ATOM 0 HA ASN A 98 96.923 0.817 16.924 1.00 0.00 H new ATOM 0 HB2 ASN A 98 97.566 -1.557 15.125 1.00 0.00 H new ATOM 0 HB3 ASN A 98 97.643 -1.695 16.870 1.00 0.00 H new ATOM 0 HD21 ASN A 98 94.110 -2.562 15.792 1.00 0.00 H new ATOM 0 HD22 ASN A 98 95.718 -3.214 15.458 1.00 0.00 H new ATOM 1572 N GLY A 99 99.751 1.282 15.807 1.00 0.00 N ATOM 1573 CA GLY A 99 101.197 1.456 16.130 1.00 0.00 C ATOM 1574 C GLY A 99 101.847 0.083 16.310 1.00 0.00 C ATOM 1575 O GLY A 99 102.561 -0.156 17.262 1.00 0.00 O ATOM 0 H GLY A 99 99.416 1.819 15.007 1.00 0.00 H new ATOM 0 HA2 GLY A 99 101.696 2.005 15.331 1.00 0.00 H new ATOM 0 HA3 GLY A 99 101.309 2.046 17.040 1.00 0.00 H new ATOM 1579 N ASN A 100 101.600 -0.824 15.404 1.00 0.00 N ATOM 1580 CA ASN A 100 102.204 -2.182 15.529 1.00 0.00 C ATOM 1581 C ASN A 100 103.665 -2.134 15.092 1.00 0.00 C ATOM 1582 O ASN A 100 104.300 -3.149 14.885 1.00 0.00 O ATOM 1583 CB ASN A 100 101.430 -3.172 14.657 1.00 0.00 C ATOM 1584 CG ASN A 100 100.355 -3.866 15.496 1.00 0.00 C ATOM 1585 OD1 ASN A 100 99.226 -4.004 15.067 1.00 0.00 O ATOM 1586 ND2 ASN A 100 100.659 -4.311 16.685 1.00 0.00 N ATOM 0 H ASN A 100 101.008 -0.684 14.585 1.00 0.00 H new ATOM 0 HA ASN A 100 102.153 -2.508 16.568 1.00 0.00 H new ATOM 0 HB2 ASN A 100 100.970 -2.650 13.818 1.00 0.00 H new ATOM 0 HB3 ASN A 100 102.111 -3.912 14.237 1.00 0.00 H new ATOM 0 HD21 ASN A 100 99.950 -4.774 17.253 1.00 0.00 H new ATOM 0 HD22 ASN A 100 101.606 -4.196 17.046 1.00 0.00 H new ATOM 1593 N GLU A 101 104.196 -0.958 14.975 1.00 0.00 N ATOM 1594 CA GLU A 101 105.624 -0.798 14.572 1.00 0.00 C ATOM 1595 C GLU A 101 105.924 -1.609 13.303 1.00 0.00 C ATOM 1596 O GLU A 101 105.448 -2.712 13.125 1.00 0.00 O ATOM 1597 CB GLU A 101 106.521 -1.285 15.712 1.00 0.00 C ATOM 1598 CG GLU A 101 106.949 -0.096 16.575 1.00 0.00 C ATOM 1599 CD GLU A 101 107.636 -0.606 17.844 1.00 0.00 C ATOM 1600 OE1 GLU A 101 106.941 -1.128 18.700 1.00 0.00 O ATOM 1601 OE2 GLU A 101 108.843 -0.465 17.938 1.00 0.00 O ATOM 0 H GLU A 101 103.699 -0.083 15.143 1.00 0.00 H new ATOM 0 HA GLU A 101 105.817 0.254 14.364 1.00 0.00 H new ATOM 0 HB2 GLU A 101 105.988 -2.015 16.321 1.00 0.00 H new ATOM 0 HB3 GLU A 101 107.399 -1.788 15.307 1.00 0.00 H new ATOM 0 HG2 GLU A 101 107.628 0.547 16.015 1.00 0.00 H new ATOM 0 HG3 GLU A 101 106.080 0.508 16.837 1.00 0.00 H new ATOM 1608 N LEU A 102 106.734 -1.072 12.430 1.00 0.00 N ATOM 1609 CA LEU A 102 107.096 -1.801 11.186 1.00 0.00 C ATOM 1610 C LEU A 102 108.551 -1.466 10.847 1.00 0.00 C ATOM 1611 O LEU A 102 108.944 -0.315 10.851 1.00 0.00 O ATOM 1612 CB LEU A 102 106.157 -1.376 10.040 1.00 0.00 C ATOM 1613 CG LEU A 102 106.915 -1.322 8.705 1.00 0.00 C ATOM 1614 CD1 LEU A 102 107.441 -2.713 8.350 1.00 0.00 C ATOM 1615 CD2 LEU A 102 105.967 -0.850 7.597 1.00 0.00 C ATOM 0 H LEU A 102 107.162 -0.152 12.529 1.00 0.00 H new ATOM 0 HA LEU A 102 106.989 -2.877 11.326 1.00 0.00 H new ATOM 0 HB2 LEU A 102 105.327 -2.079 9.964 1.00 0.00 H new ATOM 0 HB3 LEU A 102 105.728 -0.398 10.259 1.00 0.00 H new ATOM 0 HG LEU A 102 107.751 -0.629 8.799 1.00 0.00 H new ATOM 0 HD11 LEU A 102 107.978 -2.668 7.402 1.00 0.00 H new ATOM 0 HD12 LEU A 102 108.116 -3.058 9.133 1.00 0.00 H new ATOM 0 HD13 LEU A 102 106.605 -3.406 8.261 1.00 0.00 H new ATOM 0 HD21 LEU A 102 106.505 -0.812 6.650 1.00 0.00 H new ATOM 0 HD22 LEU A 102 105.132 -1.545 7.512 1.00 0.00 H new ATOM 0 HD23 LEU A 102 105.589 0.143 7.840 1.00 0.00 H new ATOM 1627 N ASN A 103 109.359 -2.453 10.561 1.00 0.00 N ATOM 1628 CA ASN A 103 110.786 -2.171 10.232 1.00 0.00 C ATOM 1629 C ASN A 103 111.044 -2.562 8.781 1.00 0.00 C ATOM 1630 O ASN A 103 111.005 -3.720 8.430 1.00 0.00 O ATOM 1631 CB ASN A 103 111.701 -2.980 11.159 1.00 0.00 C ATOM 1632 CG ASN A 103 110.892 -3.503 12.347 1.00 0.00 C ATOM 1633 OD1 ASN A 103 110.028 -4.342 12.188 1.00 0.00 O ATOM 1634 ND2 ASN A 103 111.136 -3.039 13.543 1.00 0.00 N ATOM 0 H ASN A 103 109.094 -3.438 10.541 1.00 0.00 H new ATOM 0 HA ASN A 103 110.994 -1.110 10.370 1.00 0.00 H new ATOM 0 HB2 ASN A 103 112.145 -3.813 10.613 1.00 0.00 H new ATOM 0 HB3 ASN A 103 112.522 -2.356 11.511 1.00 0.00 H new ATOM 0 HD21 ASN A 103 110.602 -3.381 14.342 1.00 0.00 H new ATOM 0 HD22 ASN A 103 111.861 -2.335 13.679 1.00 0.00 H new ATOM 1641 N THR A 104 111.287 -1.607 7.926 1.00 0.00 N ATOM 1642 CA THR A 104 111.514 -1.941 6.497 1.00 0.00 C ATOM 1643 C THR A 104 112.824 -1.340 5.991 1.00 0.00 C ATOM 1644 O THR A 104 113.512 -0.622 6.689 1.00 0.00 O ATOM 1645 CB THR A 104 110.360 -1.378 5.670 1.00 0.00 C ATOM 1646 OG1 THR A 104 110.668 -1.492 4.287 1.00 0.00 O ATOM 1647 CG2 THR A 104 110.161 0.094 6.033 1.00 0.00 C ATOM 0 H THR A 104 111.338 -0.615 8.156 1.00 0.00 H new ATOM 0 HA THR A 104 111.570 -3.025 6.399 1.00 0.00 H new ATOM 0 HB THR A 104 109.447 -1.935 5.880 1.00 0.00 H new ATOM 0 HG1 THR A 104 110.798 -2.436 4.057 1.00 0.00 H new ATOM 0 HG21 THR A 104 109.339 0.505 5.447 1.00 0.00 H new ATOM 0 HG22 THR A 104 109.928 0.179 7.095 1.00 0.00 H new ATOM 0 HG23 THR A 104 111.074 0.649 5.816 1.00 0.00 H new ATOM 1655 N VAL A 105 113.160 -1.633 4.763 1.00 0.00 N ATOM 1656 CA VAL A 105 114.411 -1.092 4.165 1.00 0.00 C ATOM 1657 C VAL A 105 114.193 -0.883 2.663 1.00 0.00 C ATOM 1658 O VAL A 105 113.270 -1.422 2.085 1.00 0.00 O ATOM 1659 CB VAL A 105 115.555 -2.084 4.384 1.00 0.00 C ATOM 1660 CG1 VAL A 105 116.859 -1.487 3.851 1.00 0.00 C ATOM 1661 CG2 VAL A 105 115.701 -2.372 5.880 1.00 0.00 C ATOM 0 H VAL A 105 112.613 -2.231 4.143 1.00 0.00 H new ATOM 0 HA VAL A 105 114.666 -0.143 4.637 1.00 0.00 H new ATOM 0 HB VAL A 105 115.337 -3.011 3.854 1.00 0.00 H new ATOM 0 HG11 VAL A 105 117.674 -2.194 4.007 1.00 0.00 H new ATOM 0 HG12 VAL A 105 116.756 -1.282 2.785 1.00 0.00 H new ATOM 0 HG13 VAL A 105 117.077 -0.559 4.380 1.00 0.00 H new ATOM 0 HG21 VAL A 105 116.516 -3.079 6.037 1.00 0.00 H new ATOM 0 HG22 VAL A 105 115.918 -1.444 6.410 1.00 0.00 H new ATOM 0 HG23 VAL A 105 114.773 -2.798 6.261 1.00 0.00 H new ATOM 1671 N ARG A 106 115.025 -0.102 2.026 1.00 0.00 N ATOM 1672 CA ARG A 106 114.847 0.136 0.564 1.00 0.00 C ATOM 1673 C ARG A 106 116.190 -0.012 -0.156 1.00 0.00 C ATOM 1674 O ARG A 106 117.219 0.423 0.327 1.00 0.00 O ATOM 1675 CB ARG A 106 114.300 1.549 0.343 1.00 0.00 C ATOM 1676 CG ARG A 106 113.517 1.597 -0.972 1.00 0.00 C ATOM 1677 CD ARG A 106 112.821 2.954 -1.106 1.00 0.00 C ATOM 1678 NE ARG A 106 111.459 2.873 -0.508 1.00 0.00 N ATOM 1679 CZ ARG A 106 110.640 3.883 -0.609 1.00 0.00 C ATOM 1680 NH1 ARG A 106 109.445 3.812 -0.088 1.00 0.00 N ATOM 1681 NH2 ARG A 106 111.015 4.966 -1.233 1.00 0.00 N ATOM 0 H ARG A 106 115.817 0.379 2.453 1.00 0.00 H new ATOM 0 HA ARG A 106 114.145 -0.596 0.163 1.00 0.00 H new ATOM 0 HB2 ARG A 106 113.654 1.834 1.173 1.00 0.00 H new ATOM 0 HB3 ARG A 106 115.120 2.267 0.316 1.00 0.00 H new ATOM 0 HG2 ARG A 106 114.191 1.438 -1.814 1.00 0.00 H new ATOM 0 HG3 ARG A 106 112.780 0.795 -0.997 1.00 0.00 H new ATOM 0 HD2 ARG A 106 113.405 3.726 -0.604 1.00 0.00 H new ATOM 0 HD3 ARG A 106 112.753 3.238 -2.156 1.00 0.00 H new ATOM 0 HE ARG A 106 111.167 2.027 -0.019 1.00 0.00 H new ATOM 0 HH11 ARG A 106 109.150 2.966 0.399 1.00 0.00 H new ATOM 0 HH12 ARG A 106 108.806 4.603 -0.168 1.00 0.00 H new ATOM 0 HH21 ARG A 106 111.948 5.022 -1.641 1.00 0.00 H new ATOM 0 HH22 ARG A 106 110.375 5.756 -1.312 1.00 0.00 H new ATOM 1695 N GLU A 107 116.183 -0.625 -1.311 1.00 0.00 N ATOM 1696 CA GLU A 107 117.451 -0.808 -2.075 1.00 0.00 C ATOM 1697 C GLU A 107 117.170 -0.615 -3.567 1.00 0.00 C ATOM 1698 O GLU A 107 116.046 -0.737 -4.013 1.00 0.00 O ATOM 1699 CB GLU A 107 117.996 -2.218 -1.833 1.00 0.00 C ATOM 1700 CG GLU A 107 118.501 -2.331 -0.394 1.00 0.00 C ATOM 1701 CD GLU A 107 119.094 -3.724 -0.168 1.00 0.00 C ATOM 1702 OE1 GLU A 107 119.037 -4.526 -1.086 1.00 0.00 O ATOM 1703 OE2 GLU A 107 119.596 -3.964 0.918 1.00 0.00 O ATOM 0 H GLU A 107 115.350 -1.008 -1.759 1.00 0.00 H new ATOM 0 HA GLU A 107 118.188 -0.077 -1.744 1.00 0.00 H new ATOM 0 HB2 GLU A 107 117.216 -2.957 -2.015 1.00 0.00 H new ATOM 0 HB3 GLU A 107 118.805 -2.431 -2.531 1.00 0.00 H new ATOM 0 HG2 GLU A 107 119.255 -1.568 -0.201 1.00 0.00 H new ATOM 0 HG3 GLU A 107 117.683 -2.155 0.304 1.00 0.00 H new ATOM 1710 N ILE A 108 118.177 -0.316 -4.344 1.00 0.00 N ATOM 1711 CA ILE A 108 117.969 -0.120 -5.794 1.00 0.00 C ATOM 1712 C ILE A 108 118.802 -1.151 -6.537 1.00 0.00 C ATOM 1713 O ILE A 108 119.897 -0.877 -6.986 1.00 0.00 O ATOM 1714 CB ILE A 108 118.437 1.276 -6.185 1.00 0.00 C ATOM 1715 CG1 ILE A 108 117.777 2.322 -5.272 1.00 0.00 C ATOM 1716 CG2 ILE A 108 118.061 1.527 -7.641 1.00 0.00 C ATOM 1717 CD1 ILE A 108 116.578 2.959 -5.977 1.00 0.00 C ATOM 0 H ILE A 108 119.139 -0.200 -4.027 1.00 0.00 H new ATOM 0 HA ILE A 108 116.914 -0.231 -6.043 1.00 0.00 H new ATOM 0 HB ILE A 108 119.518 1.354 -6.070 1.00 0.00 H new ATOM 0 HG12 ILE A 108 117.454 1.852 -4.343 1.00 0.00 H new ATOM 0 HG13 ILE A 108 118.502 3.091 -5.005 1.00 0.00 H new ATOM 0 HG21 ILE A 108 118.390 2.524 -7.935 1.00 0.00 H new ATOM 0 HG22 ILE A 108 118.544 0.783 -8.275 1.00 0.00 H new ATOM 0 HG23 ILE A 108 116.980 1.454 -7.755 1.00 0.00 H new ATOM 0 HD11 ILE A 108 116.120 3.698 -5.320 1.00 0.00 H new ATOM 0 HD12 ILE A 108 116.911 3.446 -6.893 1.00 0.00 H new ATOM 0 HD13 ILE A 108 115.847 2.188 -6.221 1.00 0.00 H new ATOM 1729 N ILE A 109 118.297 -2.336 -6.660 1.00 0.00 N ATOM 1730 CA ILE A 109 119.068 -3.391 -7.364 1.00 0.00 C ATOM 1731 C ILE A 109 119.302 -2.956 -8.807 1.00 0.00 C ATOM 1732 O ILE A 109 118.502 -3.208 -9.685 1.00 0.00 O ATOM 1733 CB ILE A 109 118.282 -4.704 -7.333 1.00 0.00 C ATOM 1734 CG1 ILE A 109 118.440 -5.355 -5.954 1.00 0.00 C ATOM 1735 CG2 ILE A 109 118.808 -5.650 -8.417 1.00 0.00 C ATOM 1736 CD1 ILE A 109 119.738 -6.168 -5.904 1.00 0.00 C ATOM 0 H ILE A 109 117.385 -2.623 -6.305 1.00 0.00 H new ATOM 0 HA ILE A 109 120.028 -3.542 -6.871 1.00 0.00 H new ATOM 0 HB ILE A 109 117.228 -4.502 -7.521 1.00 0.00 H new ATOM 0 HG12 ILE A 109 118.452 -4.588 -5.180 1.00 0.00 H new ATOM 0 HG13 ILE A 109 117.588 -6.002 -5.748 1.00 0.00 H new ATOM 0 HG21 ILE A 109 118.245 -6.583 -8.390 1.00 0.00 H new ATOM 0 HG22 ILE A 109 118.691 -5.183 -9.395 1.00 0.00 H new ATOM 0 HG23 ILE A 109 119.863 -5.858 -8.238 1.00 0.00 H new ATOM 0 HD11 ILE A 109 119.842 -6.627 -4.921 1.00 0.00 H new ATOM 0 HD12 ILE A 109 119.709 -6.946 -6.667 1.00 0.00 H new ATOM 0 HD13 ILE A 109 120.587 -5.510 -6.089 1.00 0.00 H new ATOM 1748 N GLY A 110 120.405 -2.311 -9.054 1.00 0.00 N ATOM 1749 CA GLY A 110 120.717 -1.858 -10.440 1.00 0.00 C ATOM 1750 C GLY A 110 119.545 -1.055 -11.014 1.00 0.00 C ATOM 1751 O GLY A 110 119.580 0.159 -11.062 1.00 0.00 O ATOM 0 H GLY A 110 121.109 -2.076 -8.354 1.00 0.00 H new ATOM 0 HA2 GLY A 110 121.619 -1.245 -10.435 1.00 0.00 H new ATOM 0 HA3 GLY A 110 120.921 -2.721 -11.074 1.00 0.00 H new ATOM 1755 N ASP A 111 118.514 -1.722 -11.463 1.00 0.00 N ATOM 1756 CA ASP A 111 117.351 -0.996 -12.050 1.00 0.00 C ATOM 1757 C ASP A 111 116.046 -1.502 -11.433 1.00 0.00 C ATOM 1758 O ASP A 111 115.007 -1.491 -12.062 1.00 0.00 O ATOM 1759 CB ASP A 111 117.321 -1.218 -13.563 1.00 0.00 C ATOM 1760 CG ASP A 111 118.418 -0.382 -14.224 1.00 0.00 C ATOM 1761 OD1 ASP A 111 118.327 -0.160 -15.420 1.00 0.00 O ATOM 1762 OD2 ASP A 111 119.332 0.020 -13.522 1.00 0.00 O ATOM 0 H ASP A 111 118.428 -2.738 -11.448 1.00 0.00 H new ATOM 0 HA ASP A 111 117.454 0.068 -11.837 1.00 0.00 H new ATOM 0 HB2 ASP A 111 117.468 -2.274 -13.789 1.00 0.00 H new ATOM 0 HB3 ASP A 111 116.346 -0.939 -13.963 1.00 0.00 H new ATOM 1767 N GLU A 112 116.087 -1.944 -10.209 1.00 0.00 N ATOM 1768 CA GLU A 112 114.847 -2.445 -9.554 1.00 0.00 C ATOM 1769 C GLU A 112 114.787 -1.915 -8.121 1.00 0.00 C ATOM 1770 O GLU A 112 115.802 -1.750 -7.474 1.00 0.00 O ATOM 1771 CB GLU A 112 114.863 -3.974 -9.535 1.00 0.00 C ATOM 1772 CG GLU A 112 114.503 -4.505 -10.922 1.00 0.00 C ATOM 1773 CD GLU A 112 115.042 -5.927 -11.084 1.00 0.00 C ATOM 1774 OE1 GLU A 112 114.353 -6.737 -11.681 1.00 0.00 O ATOM 1775 OE2 GLU A 112 116.136 -6.182 -10.609 1.00 0.00 O ATOM 0 H GLU A 112 116.927 -1.980 -9.632 1.00 0.00 H new ATOM 0 HA GLU A 112 113.974 -2.101 -10.108 1.00 0.00 H new ATOM 0 HB2 GLU A 112 115.849 -4.334 -9.241 1.00 0.00 H new ATOM 0 HB3 GLU A 112 114.154 -4.347 -8.796 1.00 0.00 H new ATOM 0 HG2 GLU A 112 113.421 -4.498 -11.055 1.00 0.00 H new ATOM 0 HG3 GLU A 112 114.923 -3.856 -11.691 1.00 0.00 H new ATOM 1782 N LEU A 113 113.612 -1.645 -7.612 1.00 0.00 N ATOM 1783 CA LEU A 113 113.524 -1.128 -6.212 1.00 0.00 C ATOM 1784 C LEU A 113 113.096 -2.260 -5.285 1.00 0.00 C ATOM 1785 O LEU A 113 112.005 -2.783 -5.392 1.00 0.00 O ATOM 1786 CB LEU A 113 112.504 0.011 -6.133 1.00 0.00 C ATOM 1787 CG LEU A 113 112.646 0.739 -4.793 1.00 0.00 C ATOM 1788 CD1 LEU A 113 113.814 1.724 -4.861 1.00 0.00 C ATOM 1789 CD2 LEU A 113 111.354 1.504 -4.497 1.00 0.00 C ATOM 0 H LEU A 113 112.721 -1.758 -8.096 1.00 0.00 H new ATOM 0 HA LEU A 113 114.500 -0.750 -5.908 1.00 0.00 H new ATOM 0 HB2 LEU A 113 112.660 0.709 -6.955 1.00 0.00 H new ATOM 0 HB3 LEU A 113 111.494 -0.385 -6.238 1.00 0.00 H new ATOM 0 HG LEU A 113 112.834 0.012 -4.003 1.00 0.00 H new ATOM 0 HD11 LEU A 113 113.911 2.240 -3.906 1.00 0.00 H new ATOM 0 HD12 LEU A 113 114.735 1.182 -5.076 1.00 0.00 H new ATOM 0 HD13 LEU A 113 113.629 2.453 -5.650 1.00 0.00 H new ATOM 0 HD21 LEU A 113 111.449 2.024 -3.544 1.00 0.00 H new ATOM 0 HD22 LEU A 113 111.171 2.229 -5.290 1.00 0.00 H new ATOM 0 HD23 LEU A 113 110.520 0.804 -4.446 1.00 0.00 H new ATOM 1801 N VAL A 114 113.945 -2.645 -4.373 1.00 0.00 N ATOM 1802 CA VAL A 114 113.581 -3.748 -3.443 1.00 0.00 C ATOM 1803 C VAL A 114 113.258 -3.164 -2.070 1.00 0.00 C ATOM 1804 O VAL A 114 114.133 -2.732 -1.347 1.00 0.00 O ATOM 1805 CB VAL A 114 114.756 -4.721 -3.319 1.00 0.00 C ATOM 1806 CG1 VAL A 114 114.279 -6.021 -2.664 1.00 0.00 C ATOM 1807 CG2 VAL A 114 115.321 -5.022 -4.712 1.00 0.00 C ATOM 0 H VAL A 114 114.872 -2.244 -4.232 1.00 0.00 H new ATOM 0 HA VAL A 114 112.711 -4.279 -3.829 1.00 0.00 H new ATOM 0 HB VAL A 114 115.535 -4.272 -2.703 1.00 0.00 H new ATOM 0 HG11 VAL A 114 115.117 -6.713 -2.576 1.00 0.00 H new ATOM 0 HG12 VAL A 114 113.882 -5.804 -1.672 1.00 0.00 H new ATOM 0 HG13 VAL A 114 113.498 -6.472 -3.277 1.00 0.00 H new ATOM 0 HG21 VAL A 114 116.158 -5.715 -4.623 1.00 0.00 H new ATOM 0 HG22 VAL A 114 114.543 -5.469 -5.331 1.00 0.00 H new ATOM 0 HG23 VAL A 114 115.664 -4.096 -5.173 1.00 0.00 H new ATOM 1817 N GLN A 115 112.007 -3.155 -1.704 1.00 0.00 N ATOM 1818 CA GLN A 115 111.628 -2.607 -0.374 1.00 0.00 C ATOM 1819 C GLN A 115 111.243 -3.767 0.538 1.00 0.00 C ATOM 1820 O GLN A 115 110.222 -4.399 0.352 1.00 0.00 O ATOM 1821 CB GLN A 115 110.437 -1.658 -0.532 1.00 0.00 C ATOM 1822 CG GLN A 115 110.212 -0.895 0.777 1.00 0.00 C ATOM 1823 CD GLN A 115 109.424 0.384 0.491 1.00 0.00 C ATOM 1824 OE1 GLN A 115 109.883 1.471 0.780 1.00 0.00 O ATOM 1825 NE2 GLN A 115 108.247 0.301 -0.066 1.00 0.00 N ATOM 0 H GLN A 115 111.232 -3.503 -2.268 1.00 0.00 H new ATOM 0 HA GLN A 115 112.465 -2.057 0.057 1.00 0.00 H new ATOM 0 HB2 GLN A 115 110.623 -0.957 -1.346 1.00 0.00 H new ATOM 0 HB3 GLN A 115 109.542 -2.222 -0.795 1.00 0.00 H new ATOM 0 HG2 GLN A 115 109.668 -1.519 1.486 1.00 0.00 H new ATOM 0 HG3 GLN A 115 111.169 -0.650 1.237 1.00 0.00 H new ATOM 0 HE21 GLN A 115 107.861 -0.611 -0.309 1.00 0.00 H new ATOM 0 HE22 GLN A 115 107.713 1.148 -0.259 1.00 0.00 H new ATOM 1834 N THR A 116 112.052 -4.065 1.515 1.00 0.00 N ATOM 1835 CA THR A 116 111.723 -5.196 2.422 1.00 0.00 C ATOM 1836 C THR A 116 111.115 -4.662 3.711 1.00 0.00 C ATOM 1837 O THR A 116 111.499 -3.625 4.209 1.00 0.00 O ATOM 1838 CB THR A 116 112.994 -5.979 2.755 1.00 0.00 C ATOM 1839 OG1 THR A 116 113.920 -5.858 1.685 1.00 0.00 O ATOM 1840 CG2 THR A 116 112.647 -7.454 2.971 1.00 0.00 C ATOM 0 H THR A 116 112.923 -3.576 1.723 1.00 0.00 H new ATOM 0 HA THR A 116 111.009 -5.852 1.925 1.00 0.00 H new ATOM 0 HB THR A 116 113.439 -5.577 3.665 1.00 0.00 H new ATOM 0 HG1 THR A 116 114.735 -6.358 1.899 1.00 0.00 H new ATOM 0 HG21 THR A 116 113.554 -8.010 3.208 1.00 0.00 H new ATOM 0 HG22 THR A 116 111.940 -7.544 3.796 1.00 0.00 H new ATOM 0 HG23 THR A 116 112.200 -7.859 2.063 1.00 0.00 H new ATOM 1848 N TYR A 117 110.182 -5.378 4.265 1.00 0.00 N ATOM 1849 CA TYR A 117 109.558 -4.928 5.538 1.00 0.00 C ATOM 1850 C TYR A 117 109.627 -6.048 6.560 1.00 0.00 C ATOM 1851 O TYR A 117 109.587 -7.214 6.234 1.00 0.00 O ATOM 1852 CB TYR A 117 108.087 -4.557 5.342 1.00 0.00 C ATOM 1853 CG TYR A 117 107.884 -3.943 3.994 1.00 0.00 C ATOM 1854 CD1 TYR A 117 108.090 -4.717 2.864 1.00 0.00 C ATOM 1855 CD2 TYR A 117 107.476 -2.612 3.879 1.00 0.00 C ATOM 1856 CE1 TYR A 117 107.891 -4.168 1.595 1.00 0.00 C ATOM 1857 CE2 TYR A 117 107.277 -2.052 2.613 1.00 0.00 C ATOM 1858 CZ TYR A 117 107.484 -2.832 1.467 1.00 0.00 C ATOM 1859 OH TYR A 117 107.285 -2.286 0.216 1.00 0.00 O ATOM 0 H TYR A 117 109.823 -6.257 3.892 1.00 0.00 H new ATOM 0 HA TYR A 117 110.105 -4.049 5.880 1.00 0.00 H new ATOM 0 HB2 TYR A 117 107.464 -5.446 5.442 1.00 0.00 H new ATOM 0 HB3 TYR A 117 107.774 -3.859 6.118 1.00 0.00 H new ATOM 0 HD1 TYR A 117 108.405 -5.745 2.964 1.00 0.00 H new ATOM 0 HD2 TYR A 117 107.315 -2.017 4.766 1.00 0.00 H new ATOM 0 HE1 TYR A 117 108.050 -4.772 0.714 1.00 0.00 H new ATOM 0 HE2 TYR A 117 106.965 -1.022 2.519 1.00 0.00 H new ATOM 0 HH TYR A 117 106.411 -1.844 0.187 1.00 0.00 H new ATOM 1869 N VAL A 118 109.688 -5.681 7.795 1.00 0.00 N ATOM 1870 CA VAL A 118 109.714 -6.688 8.890 1.00 0.00 C ATOM 1871 C VAL A 118 108.511 -6.453 9.767 1.00 0.00 C ATOM 1872 O VAL A 118 108.061 -5.336 9.943 1.00 0.00 O ATOM 1873 CB VAL A 118 110.962 -6.543 9.754 1.00 0.00 C ATOM 1874 CG1 VAL A 118 111.095 -7.769 10.664 1.00 0.00 C ATOM 1875 CG2 VAL A 118 112.203 -6.417 8.867 1.00 0.00 C ATOM 0 H VAL A 118 109.722 -4.710 8.106 1.00 0.00 H new ATOM 0 HA VAL A 118 109.711 -7.684 8.447 1.00 0.00 H new ATOM 0 HB VAL A 118 110.875 -5.644 10.365 1.00 0.00 H new ATOM 0 HG11 VAL A 118 111.987 -7.668 11.283 1.00 0.00 H new ATOM 0 HG12 VAL A 118 110.216 -7.844 11.304 1.00 0.00 H new ATOM 0 HG13 VAL A 118 111.177 -8.668 10.053 1.00 0.00 H new ATOM 0 HG21 VAL A 118 113.089 -6.314 9.493 1.00 0.00 H new ATOM 0 HG22 VAL A 118 112.299 -7.308 8.247 1.00 0.00 H new ATOM 0 HG23 VAL A 118 112.106 -5.539 8.228 1.00 0.00 H new ATOM 1885 N TYR A 119 107.983 -7.489 10.317 1.00 0.00 N ATOM 1886 CA TYR A 119 106.793 -7.315 11.181 1.00 0.00 C ATOM 1887 C TYR A 119 106.808 -8.305 12.346 1.00 0.00 C ATOM 1888 O TYR A 119 106.633 -9.496 12.179 1.00 0.00 O ATOM 1889 CB TYR A 119 105.531 -7.516 10.342 1.00 0.00 C ATOM 1890 CG TYR A 119 104.483 -6.522 10.771 1.00 0.00 C ATOM 1891 CD1 TYR A 119 103.724 -6.775 11.913 1.00 0.00 C ATOM 1892 CD2 TYR A 119 104.264 -5.356 10.026 1.00 0.00 C ATOM 1893 CE1 TYR A 119 102.741 -5.866 12.317 1.00 0.00 C ATOM 1894 CE2 TYR A 119 103.283 -4.444 10.430 1.00 0.00 C ATOM 1895 CZ TYR A 119 102.519 -4.700 11.575 1.00 0.00 C ATOM 1896 OH TYR A 119 101.549 -3.802 11.972 1.00 0.00 O ATOM 0 H TYR A 119 108.316 -8.447 10.211 1.00 0.00 H new ATOM 0 HA TYR A 119 106.807 -6.308 11.597 1.00 0.00 H new ATOM 0 HB2 TYR A 119 105.760 -7.387 9.284 1.00 0.00 H new ATOM 0 HB3 TYR A 119 105.157 -8.532 10.465 1.00 0.00 H new ATOM 0 HD1 TYR A 119 103.895 -7.674 12.486 1.00 0.00 H new ATOM 0 HD2 TYR A 119 104.852 -5.161 9.141 1.00 0.00 H new ATOM 0 HE1 TYR A 119 102.153 -6.064 13.201 1.00 0.00 H new ATOM 0 HE2 TYR A 119 103.115 -3.543 9.859 1.00 0.00 H new ATOM 0 HH TYR A 119 100.778 -4.290 12.330 1.00 0.00 H new ATOM 1906 N GLU A 120 107.003 -7.795 13.527 1.00 0.00 N ATOM 1907 CA GLU A 120 107.013 -8.651 14.749 1.00 0.00 C ATOM 1908 C GLU A 120 107.933 -9.850 14.567 1.00 0.00 C ATOM 1909 O GLU A 120 107.856 -10.820 15.293 1.00 0.00 O ATOM 1910 CB GLU A 120 105.592 -9.136 15.047 1.00 0.00 C ATOM 1911 CG GLU A 120 104.809 -8.024 15.744 1.00 0.00 C ATOM 1912 CD GLU A 120 103.315 -8.353 15.711 1.00 0.00 C ATOM 1913 OE1 GLU A 120 102.711 -8.379 16.772 1.00 0.00 O ATOM 1914 OE2 GLU A 120 102.800 -8.576 14.628 1.00 0.00 O ATOM 0 H GLU A 120 107.159 -6.803 13.703 1.00 0.00 H new ATOM 0 HA GLU A 120 107.384 -8.056 15.583 1.00 0.00 H new ATOM 0 HB2 GLU A 120 105.092 -9.422 14.121 1.00 0.00 H new ATOM 0 HB3 GLU A 120 105.624 -10.024 15.679 1.00 0.00 H new ATOM 0 HG2 GLU A 120 105.146 -7.919 16.775 1.00 0.00 H new ATOM 0 HG3 GLU A 120 104.993 -7.070 15.249 1.00 0.00 H new ATOM 1921 N GLY A 121 108.807 -9.787 13.615 1.00 0.00 N ATOM 1922 CA GLY A 121 109.742 -10.922 13.392 1.00 0.00 C ATOM 1923 C GLY A 121 109.412 -11.586 12.067 1.00 0.00 C ATOM 1924 O GLY A 121 109.665 -12.757 11.864 1.00 0.00 O ATOM 0 H GLY A 121 108.919 -8.999 12.977 1.00 0.00 H new ATOM 0 HA2 GLY A 121 110.772 -10.565 13.387 1.00 0.00 H new ATOM 0 HA3 GLY A 121 109.658 -11.643 14.205 1.00 0.00 H new ATOM 1928 N VAL A 122 108.866 -10.839 11.150 1.00 0.00 N ATOM 1929 CA VAL A 122 108.543 -11.405 9.827 1.00 0.00 C ATOM 1930 C VAL A 122 109.292 -10.595 8.804 1.00 0.00 C ATOM 1931 O VAL A 122 109.952 -9.632 9.131 1.00 0.00 O ATOM 1932 CB VAL A 122 107.042 -11.332 9.554 1.00 0.00 C ATOM 1933 CG1 VAL A 122 106.693 -10.034 8.823 1.00 0.00 C ATOM 1934 CG2 VAL A 122 106.627 -12.527 8.701 1.00 0.00 C ATOM 0 H VAL A 122 108.631 -9.854 11.268 1.00 0.00 H new ATOM 0 HA VAL A 122 108.831 -12.455 9.785 1.00 0.00 H new ATOM 0 HB VAL A 122 106.508 -11.351 10.504 1.00 0.00 H new ATOM 0 HG11 VAL A 122 105.620 -9.999 8.637 1.00 0.00 H new ATOM 0 HG12 VAL A 122 106.983 -9.181 9.437 1.00 0.00 H new ATOM 0 HG13 VAL A 122 107.228 -9.996 7.874 1.00 0.00 H new ATOM 0 HG21 VAL A 122 105.556 -12.479 8.504 1.00 0.00 H new ATOM 0 HG22 VAL A 122 107.171 -12.507 7.757 1.00 0.00 H new ATOM 0 HG23 VAL A 122 106.857 -13.451 9.232 1.00 0.00 H new ATOM 1944 N GLU A 123 109.209 -10.966 7.577 1.00 0.00 N ATOM 1945 CA GLU A 123 109.942 -10.183 6.557 1.00 0.00 C ATOM 1946 C GLU A 123 109.308 -10.350 5.174 1.00 0.00 C ATOM 1947 O GLU A 123 109.292 -11.427 4.614 1.00 0.00 O ATOM 1948 CB GLU A 123 111.403 -10.652 6.513 1.00 0.00 C ATOM 1949 CG GLU A 123 112.317 -9.549 7.054 1.00 0.00 C ATOM 1950 CD GLU A 123 113.777 -9.991 6.933 1.00 0.00 C ATOM 1951 OE1 GLU A 123 114.120 -11.002 7.526 1.00 0.00 O ATOM 1952 OE2 GLU A 123 114.526 -9.313 6.250 1.00 0.00 O ATOM 0 H GLU A 123 108.676 -11.764 7.231 1.00 0.00 H new ATOM 0 HA GLU A 123 109.895 -9.128 6.829 1.00 0.00 H new ATOM 0 HB2 GLU A 123 111.522 -11.559 7.106 1.00 0.00 H new ATOM 0 HB3 GLU A 123 111.684 -10.901 5.490 1.00 0.00 H new ATOM 0 HG2 GLU A 123 112.158 -8.625 6.498 1.00 0.00 H new ATOM 0 HG3 GLU A 123 112.075 -9.339 8.096 1.00 0.00 H new ATOM 1959 N ALA A 124 108.815 -9.281 4.609 1.00 0.00 N ATOM 1960 CA ALA A 124 108.212 -9.359 3.248 1.00 0.00 C ATOM 1961 C ALA A 124 109.105 -8.584 2.277 1.00 0.00 C ATOM 1962 O ALA A 124 109.980 -7.849 2.688 1.00 0.00 O ATOM 1963 CB ALA A 124 106.805 -8.754 3.260 1.00 0.00 C ATOM 0 H ALA A 124 108.804 -8.354 5.034 1.00 0.00 H new ATOM 0 HA ALA A 124 108.136 -10.400 2.935 1.00 0.00 H new ATOM 0 HB1 ALA A 124 106.374 -8.816 2.261 1.00 0.00 H new ATOM 0 HB2 ALA A 124 106.178 -9.305 3.961 1.00 0.00 H new ATOM 0 HB3 ALA A 124 106.861 -7.710 3.567 1.00 0.00 H new ATOM 1969 N LYS A 125 108.906 -8.738 0.996 1.00 0.00 N ATOM 1970 CA LYS A 125 109.770 -8.000 0.036 1.00 0.00 C ATOM 1971 C LYS A 125 108.980 -7.590 -1.204 1.00 0.00 C ATOM 1972 O LYS A 125 108.212 -8.355 -1.754 1.00 0.00 O ATOM 1973 CB LYS A 125 110.942 -8.887 -0.384 1.00 0.00 C ATOM 1974 CG LYS A 125 112.103 -8.011 -0.862 1.00 0.00 C ATOM 1975 CD LYS A 125 113.347 -8.877 -1.078 1.00 0.00 C ATOM 1976 CE LYS A 125 113.316 -9.474 -2.486 1.00 0.00 C ATOM 1977 NZ LYS A 125 114.265 -10.620 -2.559 1.00 0.00 N ATOM 0 H LYS A 125 108.192 -9.335 0.578 1.00 0.00 H new ATOM 0 HA LYS A 125 110.139 -7.100 0.528 1.00 0.00 H new ATOM 0 HB2 LYS A 125 111.261 -9.506 0.454 1.00 0.00 H new ATOM 0 HB3 LYS A 125 110.632 -9.564 -1.180 1.00 0.00 H new ATOM 0 HG2 LYS A 125 111.833 -7.507 -1.790 1.00 0.00 H new ATOM 0 HG3 LYS A 125 112.312 -7.234 -0.127 1.00 0.00 H new ATOM 0 HD2 LYS A 125 114.248 -8.278 -0.946 1.00 0.00 H new ATOM 0 HD3 LYS A 125 113.382 -9.673 -0.335 1.00 0.00 H new ATOM 0 HE2 LYS A 125 112.307 -9.807 -2.729 1.00 0.00 H new ATOM 0 HE3 LYS A 125 113.587 -8.716 -3.220 1.00 0.00 H new ATOM 0 HZ1 LYS A 125 114.245 -11.027 -3.516 1.00 0.00 H new ATOM 0 HZ2 LYS A 125 115.227 -10.288 -2.344 1.00 0.00 H new ATOM 0 HZ3 LYS A 125 113.987 -11.346 -1.868 1.00 0.00 H new ATOM 1991 N ARG A 126 109.191 -6.386 -1.653 1.00 0.00 N ATOM 1992 CA ARG A 126 108.490 -5.895 -2.873 1.00 0.00 C ATOM 1993 C ARG A 126 109.550 -5.411 -3.863 1.00 0.00 C ATOM 1994 O ARG A 126 110.257 -4.456 -3.604 1.00 0.00 O ATOM 1995 CB ARG A 126 107.558 -4.734 -2.502 1.00 0.00 C ATOM 1996 CG ARG A 126 106.100 -5.201 -2.548 1.00 0.00 C ATOM 1997 CD ARG A 126 105.174 -3.991 -2.416 1.00 0.00 C ATOM 1998 NE ARG A 126 103.771 -4.405 -2.699 1.00 0.00 N ATOM 1999 CZ ARG A 126 102.821 -3.511 -2.731 1.00 0.00 C ATOM 2000 NH1 ARG A 126 101.592 -3.873 -2.976 1.00 0.00 N ATOM 2001 NH2 ARG A 126 103.102 -2.255 -2.521 1.00 0.00 N ATOM 0 H ARG A 126 109.826 -5.713 -1.223 1.00 0.00 H new ATOM 0 HA ARG A 126 107.894 -6.693 -3.316 1.00 0.00 H new ATOM 0 HB2 ARG A 126 107.800 -4.366 -1.505 1.00 0.00 H new ATOM 0 HB3 ARG A 126 107.705 -3.903 -3.192 1.00 0.00 H new ATOM 0 HG2 ARG A 126 105.903 -5.723 -3.485 1.00 0.00 H new ATOM 0 HG3 ARG A 126 105.908 -5.909 -1.742 1.00 0.00 H new ATOM 0 HD2 ARG A 126 105.245 -3.573 -1.412 1.00 0.00 H new ATOM 0 HD3 ARG A 126 105.480 -3.208 -3.110 1.00 0.00 H new ATOM 0 HE ARG A 126 103.553 -5.387 -2.868 1.00 0.00 H new ATOM 0 HH11 ARG A 126 101.373 -4.855 -3.143 1.00 0.00 H new ATOM 0 HH12 ARG A 126 100.850 -3.174 -3.001 1.00 0.00 H new ATOM 0 HH21 ARG A 126 104.064 -1.972 -2.332 1.00 0.00 H new ATOM 0 HH22 ARG A 126 102.360 -1.555 -2.546 1.00 0.00 H new ATOM 2015 N ILE A 127 109.686 -6.067 -4.982 1.00 0.00 N ATOM 2016 CA ILE A 127 110.725 -5.641 -5.962 1.00 0.00 C ATOM 2017 C ILE A 127 110.075 -4.952 -7.159 1.00 0.00 C ATOM 2018 O ILE A 127 109.246 -5.518 -7.843 1.00 0.00 O ATOM 2019 CB ILE A 127 111.488 -6.870 -6.457 1.00 0.00 C ATOM 2020 CG1 ILE A 127 111.962 -7.708 -5.261 1.00 0.00 C ATOM 2021 CG2 ILE A 127 112.698 -6.428 -7.284 1.00 0.00 C ATOM 2022 CD1 ILE A 127 111.959 -9.188 -5.646 1.00 0.00 C ATOM 0 H ILE A 127 109.127 -6.874 -5.259 1.00 0.00 H new ATOM 0 HA ILE A 127 111.405 -4.945 -5.471 1.00 0.00 H new ATOM 0 HB ILE A 127 110.826 -7.473 -7.078 1.00 0.00 H new ATOM 0 HG12 ILE A 127 112.964 -7.401 -4.962 1.00 0.00 H new ATOM 0 HG13 ILE A 127 111.308 -7.542 -4.405 1.00 0.00 H new ATOM 0 HG21 ILE A 127 113.239 -7.307 -7.635 1.00 0.00 H new ATOM 0 HG22 ILE A 127 112.360 -5.844 -8.140 1.00 0.00 H new ATOM 0 HG23 ILE A 127 113.358 -5.818 -6.667 1.00 0.00 H new ATOM 0 HD11 ILE A 127 112.295 -9.785 -4.798 1.00 0.00 H new ATOM 0 HD12 ILE A 127 110.949 -9.489 -5.924 1.00 0.00 H new ATOM 0 HD13 ILE A 127 112.630 -9.346 -6.490 1.00 0.00 H new ATOM 2034 N PHE A 128 110.466 -3.738 -7.428 1.00 0.00 N ATOM 2035 CA PHE A 128 109.894 -3.012 -8.595 1.00 0.00 C ATOM 2036 C PHE A 128 110.893 -3.068 -9.754 1.00 0.00 C ATOM 2037 O PHE A 128 112.048 -3.402 -9.576 1.00 0.00 O ATOM 2038 CB PHE A 128 109.647 -1.536 -8.231 1.00 0.00 C ATOM 2039 CG PHE A 128 108.759 -1.414 -7.014 1.00 0.00 C ATOM 2040 CD1 PHE A 128 108.025 -2.509 -6.582 1.00 0.00 C ATOM 2041 CD2 PHE A 128 108.670 -0.196 -6.326 1.00 0.00 C ATOM 2042 CE1 PHE A 128 107.192 -2.404 -5.461 1.00 0.00 C ATOM 2043 CE2 PHE A 128 107.841 -0.086 -5.203 1.00 0.00 C ATOM 2044 CZ PHE A 128 107.100 -1.191 -4.770 1.00 0.00 C ATOM 0 H PHE A 128 111.158 -3.217 -6.889 1.00 0.00 H new ATOM 0 HA PHE A 128 108.951 -3.479 -8.878 1.00 0.00 H new ATOM 0 HB2 PHE A 128 110.599 -1.042 -8.040 1.00 0.00 H new ATOM 0 HB3 PHE A 128 109.185 -1.023 -9.074 1.00 0.00 H new ATOM 0 HD1 PHE A 128 108.096 -3.447 -7.113 1.00 0.00 H new ATOM 0 HD2 PHE A 128 109.241 0.657 -6.662 1.00 0.00 H new ATOM 0 HE1 PHE A 128 106.621 -3.259 -5.130 1.00 0.00 H new ATOM 0 HE2 PHE A 128 107.774 0.852 -4.671 1.00 0.00 H new ATOM 0 HZ PHE A 128 106.459 -1.108 -3.905 1.00 0.00 H new ATOM 2054 N LYS A 129 110.454 -2.729 -10.935 1.00 0.00 N ATOM 2055 CA LYS A 129 111.362 -2.749 -12.115 1.00 0.00 C ATOM 2056 C LYS A 129 110.896 -1.697 -13.124 1.00 0.00 C ATOM 2057 O LYS A 129 109.719 -1.430 -13.257 1.00 0.00 O ATOM 2058 CB LYS A 129 111.322 -4.132 -12.770 1.00 0.00 C ATOM 2059 CG LYS A 129 112.460 -4.251 -13.788 1.00 0.00 C ATOM 2060 CD LYS A 129 112.043 -5.200 -14.915 1.00 0.00 C ATOM 2061 CE LYS A 129 113.233 -5.442 -15.846 1.00 0.00 C ATOM 2062 NZ LYS A 129 112.767 -6.143 -17.075 1.00 0.00 N ATOM 0 H LYS A 129 109.497 -2.437 -11.134 1.00 0.00 H new ATOM 0 HA LYS A 129 112.381 -2.530 -11.796 1.00 0.00 H new ATOM 0 HB2 LYS A 129 111.417 -4.908 -12.011 1.00 0.00 H new ATOM 0 HB3 LYS A 129 110.362 -4.284 -13.263 1.00 0.00 H new ATOM 0 HG2 LYS A 129 112.701 -3.269 -14.196 1.00 0.00 H new ATOM 0 HG3 LYS A 129 113.361 -4.623 -13.300 1.00 0.00 H new ATOM 0 HD2 LYS A 129 111.695 -6.145 -14.499 1.00 0.00 H new ATOM 0 HD3 LYS A 129 111.211 -4.773 -15.475 1.00 0.00 H new ATOM 0 HE2 LYS A 129 113.700 -4.493 -16.110 1.00 0.00 H new ATOM 0 HE3 LYS A 129 113.990 -6.040 -15.338 1.00 0.00 H new ATOM 0 HZ1 LYS A 129 113.575 -6.308 -17.708 1.00 0.00 H new ATOM 0 HZ2 LYS A 129 112.340 -7.055 -16.814 1.00 0.00 H new ATOM 0 HZ3 LYS A 129 112.060 -5.557 -17.562 1.00 0.00 H new ATOM 2076 N LYS A 130 111.810 -1.094 -13.834 1.00 0.00 N ATOM 2077 CA LYS A 130 111.416 -0.056 -14.828 1.00 0.00 C ATOM 2078 C LYS A 130 110.263 -0.582 -15.686 1.00 0.00 C ATOM 2079 O LYS A 130 110.268 -1.716 -16.123 1.00 0.00 O ATOM 2080 CB LYS A 130 112.619 0.271 -15.724 1.00 0.00 C ATOM 2081 CG LYS A 130 112.881 1.780 -15.707 1.00 0.00 C ATOM 2082 CD LYS A 130 113.997 2.123 -16.701 1.00 0.00 C ATOM 2083 CE LYS A 130 115.343 2.162 -15.973 1.00 0.00 C ATOM 2084 NZ LYS A 130 115.482 0.949 -15.119 1.00 0.00 N ATOM 0 H LYS A 130 112.812 -1.275 -13.769 1.00 0.00 H new ATOM 0 HA LYS A 130 111.095 0.846 -14.308 1.00 0.00 H new ATOM 0 HB2 LYS A 130 113.501 -0.265 -15.374 1.00 0.00 H new ATOM 0 HB3 LYS A 130 112.427 -0.063 -16.744 1.00 0.00 H new ATOM 0 HG2 LYS A 130 111.971 2.320 -15.967 1.00 0.00 H new ATOM 0 HG3 LYS A 130 113.164 2.098 -14.704 1.00 0.00 H new ATOM 0 HD2 LYS A 130 114.026 1.382 -17.500 1.00 0.00 H new ATOM 0 HD3 LYS A 130 113.797 3.087 -17.168 1.00 0.00 H new ATOM 0 HE2 LYS A 130 116.158 2.206 -16.695 1.00 0.00 H new ATOM 0 HE3 LYS A 130 115.411 3.061 -15.360 1.00 0.00 H new ATOM 0 HZ1 LYS A 130 116.460 0.879 -14.772 1.00 0.00 H new ATOM 0 HZ2 LYS A 130 114.832 1.018 -14.310 1.00 0.00 H new ATOM 0 HZ3 LYS A 130 115.251 0.103 -15.678 1.00 0.00 H new ATOM 2098 N ASP A 131 109.274 0.233 -15.929 1.00 0.00 N ATOM 2099 CA ASP A 131 108.121 -0.220 -16.757 1.00 0.00 C ATOM 2100 C ASP A 131 108.625 -0.669 -18.130 1.00 0.00 C ATOM 2101 O ASP A 131 109.824 -0.839 -18.273 1.00 0.00 O ATOM 2102 CB ASP A 131 107.131 0.934 -16.930 1.00 0.00 C ATOM 2103 CG ASP A 131 107.892 2.210 -17.300 1.00 0.00 C ATOM 2104 OD1 ASP A 131 109.076 2.110 -17.579 1.00 0.00 O ATOM 2105 OD2 ASP A 131 107.278 3.264 -17.300 1.00 0.00 O ATOM 0 H ASP A 131 109.214 1.193 -15.590 1.00 0.00 H new ATOM 0 HA ASP A 131 107.624 -1.054 -16.261 1.00 0.00 H new ATOM 0 HB2 ASP A 131 106.406 0.692 -17.707 1.00 0.00 H new ATOM 0 HB3 ASP A 131 106.570 1.087 -16.008 1.00 0.00 H new