USER MOD reduce.3.24.130724 H: found=0, std=0, add=1339, rem=0, adj=38 USER MOD reduce.3.24.130724 removed 1339 hydrogens (0 hets) USER MOD ----------------------------------------------------------------- USER MOD scores for adjustable sidechains, with "set" totals for H,N and Q USER MOD "o" means original, "f" means flipped, "180deg" is methyl default USER MOD "!" flags a clash with an overlap of 0.40A or greater USER MOD flip categories: "K"=keep, "C"=clashes, "X"=uncertain, "F"=flip USER MOD Single : A 4 SER OG : rot 31:sc= 0.274 USER MOD Single : A 5 GLN : amide:sc= 0 K(o=0,f=-0.75) USER MOD Single : A 6 LYS NZ :NH3+ -169:sc= 0 (180deg=-0.0695) USER MOD Single : A 7 HIS : no HE2:sc= -4.59! C(o=-4.6!,f=-6!) USER MOD Single : A 15 MET CE :methyl -144:sc= -3.31! (180deg=-8.53!) USER MOD Single : A 18 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 22 SER OG : rot -72:sc= 1.21 USER MOD Single : A 32 LYS NZ :NH3+ 161:sc= -0.0933 (180deg=-0.855) USER MOD Single : A 33 LYS NZ :NH3+ -163:sc=-0.00429 (180deg=-0.297) USER MOD Single : A 41 LYS NZ :NH3+ -107:sc= -1.29 (180deg=-5.52!) USER MOD Single : A 43 TYR OH : rot 180:sc= 0 USER MOD Single : A 48 GLN : amide:sc= -0.254 K(o=-0.25,f=-1.1) USER MOD Single : A 53 LYS NZ :NH3+ -120:sc= -0.624 (180deg=-1.85) USER MOD Single : A 54 LYS NZ :NH3+ -139:sc= -3.41! (180deg=-7.27!) USER MOD Single : A 64 LYS NZ :NH3+ 157:sc= -0.0538 (180deg=-0.439) USER MOD Single : A 66 THR OG1 : rot 95:sc= 0.875 USER MOD Single : A 67 CYS SG : rot -36:sc= 0.54 USER MOD Single : A 70 ASN : amide:sc= -3.86! C(o=-3.9!,f=-20!) USER MOD Single : A 72 LYS NZ :NH3+ 164:sc= -0.012 (180deg=-0.271) USER MOD Single : A 73 GLN : amide:sc= -0.757 K(o=-0.76,f=-6.8!) USER MOD Single : A 74 SER OG : rot -60:sc= 0.242 USER MOD Single : A 77 CYS SG : rot -14:sc= 0.274 USER MOD Single : A 80 CYS SG : rot -140:sc= -0.0473 USER MOD Single : A 85 CYS SG : rot 81:sc= -0.64 USER MOD Single : B 4 SER OG : rot 26:sc= 0.233 USER MOD Single : B 5 GLN : amide:sc= 0 K(o=0,f=-0.75) USER MOD Single : B 6 LYS NZ :NH3+ -170:sc= 0 (180deg=-0.0675) USER MOD Single : B 7 HIS : no HE2:sc= -4.37! C(o=-4.4!,f=-5.8!) USER MOD Single : B 15 MET CE :methyl -145:sc= -3.23! (180deg=-8.38!) USER MOD Single : B 18 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : B 22 SER OG : rot -63:sc= 1.1 USER MOD Single : B 32 LYS NZ :NH3+ 158:sc= -0.158 (180deg=-0.811) USER MOD Single : B 33 LYS NZ :NH3+ -162:sc= -0.0202 (180deg=-0.311) USER MOD Single : B 41 LYS NZ :NH3+ -108:sc= -1.3 (180deg=-5.65!) USER MOD Single : B 43 TYR OH : rot 180:sc= 0 USER MOD Single : B 48 GLN : amide:sc= -0.183 K(o=-0.18,f=-1.2) USER MOD Single : B 53 LYS NZ :NH3+ -116:sc= -0.93 (180deg=-1.61!) USER MOD Single : B 54 LYS NZ :NH3+ -143:sc= -3.52! (180deg=-7.33!) USER MOD Single : B 64 LYS NZ :NH3+ 158:sc= -0.0429 (180deg=-0.417) USER MOD Single : B 66 THR OG1 : rot 65:sc= 0.891 USER MOD Single : B 67 CYS SG : rot -40:sc= 0.437 USER MOD Single : B 70 ASN : amide:sc= -3.61! C(o=-3.6!,f=-19!) USER MOD Single : B 72 LYS NZ :NH3+ 164:sc= -0.0108 (180deg=-0.288) USER MOD Single : B 73 GLN : amide:sc= -0.707 K(o=-0.71,f=-7.3!) USER MOD Single : B 74 SER OG : rot -57:sc= 0.262 USER MOD Single : B 77 CYS SG : rot -14:sc= 0.267 USER MOD Single : B 80 CYS SG : rot -140:sc= -0.0466 USER MOD Single : B 85 CYS SG : rot 81:sc= -0.68 USER MOD ----------------------------------------------------------------- ATOM 48 N SER A 4 122.210 -11.419 4.962 1.00 0.63 N ATOM 49 CA SER A 4 122.106 -12.617 4.082 1.00 0.61 C ATOM 50 C SER A 4 123.395 -13.433 4.193 1.00 0.60 C ATOM 51 O SER A 4 124.397 -12.968 4.699 1.00 0.57 O ATOM 52 CB SER A 4 121.904 -12.167 2.635 1.00 0.63 C ATOM 53 OG SER A 4 120.837 -11.231 2.579 1.00 1.51 O ATOM 0 HA SER A 4 121.259 -13.230 4.390 1.00 0.61 H new ATOM 0 HB2 SER A 4 122.819 -11.716 2.251 1.00 0.63 H new ATOM 0 HB3 SER A 4 121.683 -13.027 2.002 1.00 0.63 H new ATOM 0 HG SER A 4 120.804 -10.722 3.416 1.00 1.51 H new ATOM 59 N GLN A 5 123.369 -14.655 3.732 1.00 0.63 N ATOM 60 CA GLN A 5 124.582 -15.518 3.818 1.00 0.64 C ATOM 61 C GLN A 5 125.771 -14.825 3.157 1.00 0.60 C ATOM 62 O GLN A 5 126.911 -15.147 3.427 1.00 0.59 O ATOM 63 CB GLN A 5 124.322 -16.851 3.112 1.00 0.71 C ATOM 64 CG GLN A 5 123.322 -17.679 3.922 1.00 1.34 C ATOM 65 CD GLN A 5 123.068 -19.006 3.206 1.00 1.60 C ATOM 66 OE1 GLN A 5 123.016 -19.055 1.994 1.00 2.09 O ATOM 67 NE2 GLN A 5 122.903 -20.094 3.908 1.00 2.18 N ATOM 0 H GLN A 5 122.557 -15.094 3.298 1.00 0.63 H new ATOM 0 HA GLN A 5 124.808 -15.697 4.869 1.00 0.64 H new ATOM 0 HB2 GLN A 5 123.933 -16.672 2.110 1.00 0.71 H new ATOM 0 HB3 GLN A 5 125.256 -17.401 2.998 1.00 0.71 H new ATOM 0 HG2 GLN A 5 123.711 -17.862 4.924 1.00 1.34 H new ATOM 0 HG3 GLN A 5 122.387 -17.130 4.038 1.00 1.34 H new ATOM 0 HE21 GLN A 5 122.946 -20.055 4.926 1.00 2.18 H new ATOM 0 HE22 GLN A 5 122.731 -20.983 3.438 1.00 2.18 H new ATOM 76 N LYS A 6 125.529 -13.871 2.296 1.00 0.59 N ATOM 77 CA LYS A 6 126.662 -13.170 1.634 1.00 0.57 C ATOM 78 C LYS A 6 127.517 -12.478 2.698 1.00 0.51 C ATOM 79 O LYS A 6 128.725 -12.414 2.589 1.00 0.50 O ATOM 80 CB LYS A 6 126.124 -12.125 0.652 1.00 0.58 C ATOM 81 CG LYS A 6 125.480 -12.828 -0.545 1.00 0.65 C ATOM 82 CD LYS A 6 124.944 -11.781 -1.524 1.00 0.81 C ATOM 83 CE LYS A 6 124.299 -12.479 -2.724 1.00 1.26 C ATOM 84 NZ LYS A 6 125.363 -13.024 -3.615 1.00 2.02 N ATOM 0 H LYS A 6 124.599 -13.550 2.025 1.00 0.59 H new ATOM 0 HA LYS A 6 127.267 -13.894 1.089 1.00 0.57 H new ATOM 0 HB2 LYS A 6 125.393 -11.487 1.149 1.00 0.58 H new ATOM 0 HB3 LYS A 6 126.934 -11.478 0.314 1.00 0.58 H new ATOM 0 HG2 LYS A 6 126.211 -13.466 -1.042 1.00 0.65 H new ATOM 0 HG3 LYS A 6 124.670 -13.475 -0.208 1.00 0.65 H new ATOM 0 HD2 LYS A 6 124.213 -11.144 -1.026 1.00 0.81 H new ATOM 0 HD3 LYS A 6 125.755 -11.134 -1.860 1.00 0.81 H new ATOM 0 HE2 LYS A 6 123.648 -13.284 -2.383 1.00 1.26 H new ATOM 0 HE3 LYS A 6 123.674 -11.776 -3.274 1.00 1.26 H new ATOM 0 HZ1 LYS A 6 124.940 -13.331 -4.514 1.00 2.02 H new ATOM 0 HZ2 LYS A 6 126.072 -12.286 -3.800 1.00 2.02 H new ATOM 0 HZ3 LYS A 6 125.820 -13.836 -3.153 1.00 2.02 H new ATOM 98 N HIS A 7 126.905 -11.945 3.721 1.00 0.49 N ATOM 99 CA HIS A 7 127.694 -11.243 4.773 1.00 0.45 C ATOM 100 C HIS A 7 128.698 -12.196 5.423 1.00 0.45 C ATOM 101 O HIS A 7 129.868 -11.892 5.542 1.00 0.43 O ATOM 102 CB HIS A 7 126.745 -10.715 5.848 1.00 0.45 C ATOM 103 CG HIS A 7 127.534 -10.010 6.919 1.00 0.42 C ATOM 104 ND1 HIS A 7 127.536 -8.628 7.056 1.00 0.38 N ATOM 105 CD2 HIS A 7 128.348 -10.487 7.917 1.00 0.45 C ATOM 106 CE1 HIS A 7 128.328 -8.327 8.104 1.00 0.38 C ATOM 107 NE2 HIS A 7 128.844 -9.423 8.660 1.00 0.42 N ATOM 0 H HIS A 7 125.897 -11.965 3.873 1.00 0.49 H new ATOM 0 HA HIS A 7 128.237 -10.420 4.308 1.00 0.45 H new ATOM 0 HB2 HIS A 7 126.023 -10.030 5.404 1.00 0.45 H new ATOM 0 HB3 HIS A 7 126.178 -11.538 6.283 1.00 0.45 H new ATOM 0 HD1 HIS A 7 127.031 -7.963 6.471 1.00 0.38 H new ATOM 0 HD2 HIS A 7 128.569 -11.529 8.097 1.00 0.45 H new ATOM 0 HE1 HIS A 7 128.521 -7.322 8.450 1.00 0.38 H new ATOM 115 N ARG A 8 128.253 -13.354 5.850 1.00 0.48 N ATOM 116 CA ARG A 8 129.176 -14.329 6.494 1.00 0.50 C ATOM 117 C ARG A 8 130.134 -14.901 5.449 1.00 0.51 C ATOM 118 O ARG A 8 131.282 -15.185 5.729 1.00 0.51 O ATOM 119 CB ARG A 8 128.357 -15.469 7.112 1.00 0.55 C ATOM 120 CG ARG A 8 127.488 -14.931 8.263 1.00 0.57 C ATOM 121 CD ARG A 8 128.366 -14.524 9.461 1.00 1.00 C ATOM 122 NE ARG A 8 127.581 -14.659 10.733 1.00 1.69 N ATOM 123 CZ ARG A 8 126.392 -14.129 10.867 1.00 2.27 C ATOM 124 NH1 ARG A 8 125.917 -13.316 9.962 1.00 2.42 N ATOM 125 NH2 ARG A 8 125.697 -14.370 11.946 1.00 3.21 N ATOM 0 H ARG A 8 127.284 -13.663 5.777 1.00 0.48 H new ATOM 0 HA ARG A 8 129.750 -13.825 7.271 1.00 0.50 H new ATOM 0 HB2 ARG A 8 127.724 -15.927 6.351 1.00 0.55 H new ATOM 0 HB3 ARG A 8 129.024 -16.247 7.482 1.00 0.55 H new ATOM 0 HG2 ARG A 8 126.911 -14.072 7.920 1.00 0.57 H new ATOM 0 HG3 ARG A 8 126.772 -15.693 8.572 1.00 0.57 H new ATOM 0 HD2 ARG A 8 129.255 -15.153 9.503 1.00 1.00 H new ATOM 0 HD3 ARG A 8 128.708 -13.496 9.341 1.00 1.00 H new ATOM 0 HE ARG A 8 127.985 -15.177 11.513 1.00 1.69 H new ATOM 0 HH11 ARG A 8 126.474 -13.087 9.139 1.00 2.42 H new ATOM 0 HH12 ARG A 8 124.989 -12.910 10.078 1.00 2.42 H new ATOM 0 HH21 ARG A 8 126.082 -14.968 12.677 1.00 3.21 H new ATOM 0 HH22 ARG A 8 124.770 -13.960 12.057 1.00 3.21 H new ATOM 139 N ASP A 9 129.667 -15.067 4.246 1.00 0.52 N ATOM 140 CA ASP A 9 130.538 -15.615 3.169 1.00 0.54 C ATOM 141 C ASP A 9 131.572 -14.569 2.750 1.00 0.49 C ATOM 142 O ASP A 9 132.705 -14.886 2.446 1.00 0.49 O ATOM 143 CB ASP A 9 129.685 -15.992 1.960 1.00 0.61 C ATOM 144 CG ASP A 9 128.832 -17.217 2.294 1.00 0.68 C ATOM 145 OD1 ASP A 9 129.186 -17.926 3.222 1.00 0.67 O ATOM 146 OD2 ASP A 9 127.837 -17.424 1.619 1.00 0.76 O ATOM 0 H ASP A 9 128.714 -14.846 3.959 1.00 0.52 H new ATOM 0 HA ASP A 9 131.052 -16.500 3.546 1.00 0.54 H new ATOM 0 HB2 ASP A 9 129.044 -15.156 1.680 1.00 0.61 H new ATOM 0 HB3 ASP A 9 130.325 -16.205 1.103 1.00 0.61 H new ATOM 151 N PHE A 10 131.182 -13.323 2.714 1.00 0.46 N ATOM 152 CA PHE A 10 132.128 -12.250 2.295 1.00 0.43 C ATOM 153 C PHE A 10 133.241 -12.101 3.335 1.00 0.38 C ATOM 154 O PHE A 10 134.402 -11.957 3.000 1.00 0.36 O ATOM 155 CB PHE A 10 131.353 -10.936 2.175 1.00 0.45 C ATOM 156 CG PHE A 10 132.230 -9.865 1.575 1.00 0.43 C ATOM 157 CD1 PHE A 10 132.302 -9.725 0.184 1.00 0.44 C ATOM 158 CD2 PHE A 10 132.954 -9.001 2.405 1.00 0.43 C ATOM 159 CE1 PHE A 10 133.100 -8.723 -0.378 1.00 0.44 C ATOM 160 CE2 PHE A 10 133.754 -7.999 1.842 1.00 0.43 C ATOM 161 CZ PHE A 10 133.827 -7.860 0.450 1.00 0.43 C ATOM 0 H PHE A 10 130.245 -13.002 2.958 1.00 0.46 H new ATOM 0 HA PHE A 10 132.578 -12.507 1.336 1.00 0.43 H new ATOM 0 HB2 PHE A 10 130.469 -11.082 1.554 1.00 0.45 H new ATOM 0 HB3 PHE A 10 131.003 -10.621 3.158 1.00 0.45 H new ATOM 0 HD1 PHE A 10 131.741 -10.391 -0.455 1.00 0.44 H new ATOM 0 HD2 PHE A 10 132.896 -9.107 3.478 1.00 0.43 H new ATOM 0 HE1 PHE A 10 133.155 -8.615 -1.451 1.00 0.44 H new ATOM 0 HE2 PHE A 10 134.315 -7.333 2.481 1.00 0.43 H new ATOM 0 HZ PHE A 10 134.444 -7.087 0.016 1.00 0.43 H new ATOM 171 N VAL A 11 132.900 -12.137 4.591 1.00 0.37 N ATOM 172 CA VAL A 11 133.936 -12.000 5.653 1.00 0.35 C ATOM 173 C VAL A 11 134.594 -13.360 5.900 1.00 0.37 C ATOM 174 O VAL A 11 135.250 -13.568 6.902 1.00 0.38 O ATOM 175 CB VAL A 11 133.271 -11.509 6.940 1.00 0.37 C ATOM 176 CG1 VAL A 11 132.524 -10.199 6.659 1.00 0.44 C ATOM 177 CG2 VAL A 11 132.283 -12.570 7.437 1.00 0.40 C ATOM 0 H VAL A 11 131.945 -12.256 4.930 1.00 0.37 H new ATOM 0 HA VAL A 11 134.696 -11.285 5.338 1.00 0.35 H new ATOM 0 HB VAL A 11 134.030 -11.335 7.703 1.00 0.37 H new ATOM 0 HG11 VAL A 11 132.049 -9.847 7.575 1.00 0.44 H new ATOM 0 HG12 VAL A 11 133.229 -9.447 6.304 1.00 0.44 H new ATOM 0 HG13 VAL A 11 131.762 -10.370 5.898 1.00 0.44 H new ATOM 0 HG21 VAL A 11 131.807 -12.223 8.354 1.00 0.40 H new ATOM 0 HG22 VAL A 11 131.522 -12.743 6.676 1.00 0.40 H new ATOM 0 HG23 VAL A 11 132.816 -13.500 7.634 1.00 0.40 H new ATOM 187 N ALA A 12 134.408 -14.293 4.994 1.00 0.41 N ATOM 188 CA ALA A 12 135.001 -15.660 5.159 1.00 0.48 C ATOM 189 C ALA A 12 135.961 -15.968 4.004 1.00 0.46 C ATOM 190 O ALA A 12 136.667 -16.955 4.026 1.00 0.49 O ATOM 191 CB ALA A 12 133.875 -16.697 5.159 1.00 0.54 C ATOM 0 H ALA A 12 133.866 -14.164 4.140 1.00 0.41 H new ATOM 0 HA ALA A 12 135.551 -15.696 6.099 1.00 0.48 H new ATOM 0 HB1 ALA A 12 134.299 -17.694 5.279 1.00 0.54 H new ATOM 0 HB2 ALA A 12 133.191 -16.492 5.983 1.00 0.54 H new ATOM 0 HB3 ALA A 12 133.332 -16.644 4.215 1.00 0.54 H new ATOM 197 N GLU A 13 136.003 -15.135 2.997 1.00 0.43 N ATOM 198 CA GLU A 13 136.935 -15.397 1.856 1.00 0.43 C ATOM 199 C GLU A 13 137.289 -14.069 1.165 1.00 0.40 C ATOM 200 O GLU A 13 136.494 -13.149 1.163 1.00 0.37 O ATOM 201 CB GLU A 13 136.256 -16.341 0.856 1.00 0.46 C ATOM 202 CG GLU A 13 135.107 -15.614 0.148 1.00 0.48 C ATOM 203 CD GLU A 13 134.172 -16.639 -0.499 1.00 0.61 C ATOM 204 OE1 GLU A 13 134.407 -16.983 -1.646 1.00 1.26 O ATOM 205 OE2 GLU A 13 133.240 -17.064 0.163 1.00 1.05 O ATOM 0 H GLU A 13 135.438 -14.290 2.914 1.00 0.43 H new ATOM 0 HA GLU A 13 137.850 -15.860 2.227 1.00 0.43 H new ATOM 0 HB2 GLU A 13 136.982 -16.691 0.123 1.00 0.46 H new ATOM 0 HB3 GLU A 13 135.876 -17.221 1.374 1.00 0.46 H new ATOM 0 HG2 GLU A 13 134.555 -15.003 0.862 1.00 0.48 H new ATOM 0 HG3 GLU A 13 135.503 -14.938 -0.610 1.00 0.48 H new ATOM 212 N PRO A 14 138.458 -13.956 0.567 1.00 0.42 N ATOM 213 CA PRO A 14 138.865 -12.707 -0.139 1.00 0.40 C ATOM 214 C PRO A 14 137.717 -12.123 -0.973 1.00 0.36 C ATOM 215 O PRO A 14 136.762 -12.802 -1.292 1.00 0.36 O ATOM 216 CB PRO A 14 140.015 -13.166 -1.039 1.00 0.45 C ATOM 217 CG PRO A 14 140.647 -14.301 -0.299 1.00 0.49 C ATOM 218 CD PRO A 14 139.519 -14.985 0.490 1.00 0.48 C ATOM 0 HA PRO A 14 139.148 -11.913 0.552 1.00 0.40 H new ATOM 0 HB2 PRO A 14 139.651 -13.484 -2.016 1.00 0.45 H new ATOM 0 HB3 PRO A 14 140.728 -12.360 -1.212 1.00 0.45 H new ATOM 0 HG2 PRO A 14 141.118 -15.001 -0.989 1.00 0.49 H new ATOM 0 HG3 PRO A 14 141.427 -13.941 0.372 1.00 0.49 H new ATOM 0 HD2 PRO A 14 139.167 -15.884 -0.016 1.00 0.48 H new ATOM 0 HD3 PRO A 14 139.853 -15.288 1.482 1.00 0.48 H new ATOM 226 N MET A 15 137.805 -10.870 -1.328 1.00 0.35 N ATOM 227 CA MET A 15 136.723 -10.235 -2.143 1.00 0.35 C ATOM 228 C MET A 15 137.103 -10.270 -3.627 1.00 0.36 C ATOM 229 O MET A 15 136.258 -10.228 -4.499 1.00 0.39 O ATOM 230 CB MET A 15 136.560 -8.779 -1.702 1.00 0.37 C ATOM 231 CG MET A 15 137.943 -8.152 -1.502 1.00 0.41 C ATOM 232 SD MET A 15 137.806 -6.350 -1.585 1.00 0.57 S ATOM 233 CE MET A 15 137.298 -6.078 0.128 1.00 0.43 C ATOM 0 H MET A 15 138.582 -10.254 -1.089 1.00 0.35 H new ATOM 0 HA MET A 15 135.790 -10.779 -1.997 1.00 0.35 H new ATOM 0 HB2 MET A 15 136.000 -8.220 -2.452 1.00 0.37 H new ATOM 0 HB3 MET A 15 135.988 -8.730 -0.775 1.00 0.37 H new ATOM 0 HG2 MET A 15 138.354 -8.452 -0.538 1.00 0.41 H new ATOM 0 HG3 MET A 15 138.631 -8.511 -2.268 1.00 0.41 H new ATOM 0 HE1 MET A 15 136.583 -5.256 0.169 1.00 0.43 H new ATOM 0 HE2 MET A 15 136.833 -6.983 0.518 1.00 0.43 H new ATOM 0 HE3 MET A 15 138.171 -5.830 0.731 1.00 0.43 H new ATOM 243 N GLY A 16 138.373 -10.337 -3.912 1.00 0.37 N ATOM 244 CA GLY A 16 138.824 -10.364 -5.335 1.00 0.40 C ATOM 245 C GLY A 16 138.247 -9.153 -6.073 1.00 0.40 C ATOM 246 O GLY A 16 138.253 -8.049 -5.566 1.00 0.38 O ATOM 0 H GLY A 16 139.122 -10.374 -3.220 1.00 0.37 H new ATOM 0 HA2 GLY A 16 139.913 -10.349 -5.384 1.00 0.40 H new ATOM 0 HA3 GLY A 16 138.496 -11.286 -5.815 1.00 0.40 H new ATOM 250 N GLU A 17 137.759 -9.351 -7.276 1.00 0.41 N ATOM 251 CA GLU A 17 137.186 -8.215 -8.074 1.00 0.42 C ATOM 252 C GLU A 17 135.672 -8.380 -8.204 1.00 0.40 C ATOM 253 O GLU A 17 135.091 -8.051 -9.219 1.00 0.40 O ATOM 254 CB GLU A 17 137.804 -8.203 -9.474 1.00 0.47 C ATOM 255 CG GLU A 17 139.293 -7.867 -9.377 1.00 0.52 C ATOM 256 CD GLU A 17 139.903 -7.858 -10.781 1.00 0.57 C ATOM 257 OE1 GLU A 17 139.223 -8.273 -11.704 1.00 0.76 O ATOM 258 OE2 GLU A 17 141.040 -7.433 -10.908 1.00 0.85 O ATOM 0 H GLU A 17 137.732 -10.257 -7.744 1.00 0.41 H new ATOM 0 HA GLU A 17 137.410 -7.279 -7.562 1.00 0.42 H new ATOM 0 HB2 GLU A 17 137.671 -9.175 -9.949 1.00 0.47 H new ATOM 0 HB3 GLU A 17 137.296 -7.470 -10.100 1.00 0.47 H new ATOM 0 HG2 GLU A 17 139.428 -6.895 -8.903 1.00 0.52 H new ATOM 0 HG3 GLU A 17 139.803 -8.600 -8.751 1.00 0.52 H new ATOM 265 N LYS A 18 135.024 -8.899 -7.199 1.00 0.38 N ATOM 266 CA LYS A 18 133.550 -9.091 -7.288 1.00 0.36 C ATOM 267 C LYS A 18 132.880 -7.724 -7.510 1.00 0.32 C ATOM 268 O LYS A 18 133.390 -6.709 -7.075 1.00 0.31 O ATOM 269 CB LYS A 18 133.045 -9.700 -5.973 1.00 0.36 C ATOM 270 CG LYS A 18 133.535 -11.156 -5.837 1.00 0.45 C ATOM 271 CD LYS A 18 132.564 -12.123 -6.544 1.00 1.17 C ATOM 272 CE LYS A 18 131.413 -12.499 -5.603 1.00 1.44 C ATOM 273 NZ LYS A 18 130.314 -13.121 -6.393 1.00 2.01 N ATOM 0 H LYS A 18 135.450 -9.198 -6.322 1.00 0.38 H new ATOM 0 HA LYS A 18 133.308 -9.757 -8.117 1.00 0.36 H new ATOM 0 HB2 LYS A 18 133.401 -9.109 -5.130 1.00 0.36 H new ATOM 0 HB3 LYS A 18 131.956 -9.671 -5.945 1.00 0.36 H new ATOM 0 HG2 LYS A 18 134.531 -11.252 -6.269 1.00 0.45 H new ATOM 0 HG3 LYS A 18 133.617 -11.421 -4.783 1.00 0.45 H new ATOM 0 HD2 LYS A 18 132.168 -11.657 -7.447 1.00 1.17 H new ATOM 0 HD3 LYS A 18 133.097 -13.021 -6.856 1.00 1.17 H new ATOM 0 HE2 LYS A 18 131.764 -13.192 -4.839 1.00 1.44 H new ATOM 0 HE3 LYS A 18 131.047 -11.612 -5.085 1.00 1.44 H new ATOM 0 HZ1 LYS A 18 129.532 -13.377 -5.757 1.00 2.01 H new ATOM 0 HZ2 LYS A 18 129.974 -12.445 -7.106 1.00 2.01 H new ATOM 0 HZ3 LYS A 18 130.668 -13.976 -6.868 1.00 2.01 H new ATOM 287 N PRO A 19 131.756 -7.684 -8.194 1.00 0.31 N ATOM 288 CA PRO A 19 131.038 -6.402 -8.480 1.00 0.29 C ATOM 289 C PRO A 19 130.626 -5.667 -7.198 1.00 0.25 C ATOM 290 O PRO A 19 130.492 -6.256 -6.144 1.00 0.24 O ATOM 291 CB PRO A 19 129.804 -6.834 -9.303 1.00 0.32 C ATOM 292 CG PRO A 19 129.640 -8.298 -9.033 1.00 0.33 C ATOM 293 CD PRO A 19 131.043 -8.841 -8.767 1.00 0.34 C ATOM 0 HA PRO A 19 131.672 -5.693 -9.013 1.00 0.29 H new ATOM 0 HB2 PRO A 19 128.917 -6.277 -9.003 1.00 0.32 H new ATOM 0 HB3 PRO A 19 129.954 -6.645 -10.366 1.00 0.32 H new ATOM 0 HG2 PRO A 19 128.989 -8.465 -8.175 1.00 0.33 H new ATOM 0 HG3 PRO A 19 129.182 -8.802 -9.884 1.00 0.33 H new ATOM 0 HD2 PRO A 19 131.023 -9.683 -8.075 1.00 0.34 H new ATOM 0 HD3 PRO A 19 131.518 -9.192 -9.683 1.00 0.34 H new ATOM 301 N VAL A 20 130.435 -4.378 -7.286 1.00 0.25 N ATOM 302 CA VAL A 20 130.045 -3.595 -6.082 1.00 0.23 C ATOM 303 C VAL A 20 128.745 -4.144 -5.491 1.00 0.21 C ATOM 304 O VAL A 20 128.628 -4.359 -4.300 1.00 0.23 O ATOM 305 CB VAL A 20 129.862 -2.121 -6.461 1.00 0.27 C ATOM 306 CG1 VAL A 20 128.749 -1.977 -7.503 1.00 0.32 C ATOM 307 CG2 VAL A 20 129.496 -1.321 -5.208 1.00 0.29 C ATOM 0 H VAL A 20 130.533 -3.834 -8.143 1.00 0.25 H new ATOM 0 HA VAL A 20 130.834 -3.680 -5.335 1.00 0.23 H new ATOM 0 HB VAL A 20 130.792 -1.742 -6.884 1.00 0.27 H new ATOM 0 HG11 VAL A 20 128.629 -0.926 -7.764 1.00 0.32 H new ATOM 0 HG12 VAL A 20 129.011 -2.545 -8.396 1.00 0.32 H new ATOM 0 HG13 VAL A 20 127.814 -2.358 -7.092 1.00 0.32 H new ATOM 0 HG21 VAL A 20 129.365 -0.272 -5.472 1.00 0.29 H new ATOM 0 HG22 VAL A 20 128.568 -1.708 -4.787 1.00 0.29 H new ATOM 0 HG23 VAL A 20 130.294 -1.413 -4.472 1.00 0.29 H new ATOM 317 N GLY A 21 127.763 -4.352 -6.323 1.00 0.23 N ATOM 318 CA GLY A 21 126.453 -4.864 -5.833 1.00 0.21 C ATOM 319 C GLY A 21 126.644 -6.169 -5.058 1.00 0.20 C ATOM 320 O GLY A 21 125.697 -6.730 -4.543 1.00 0.19 O ATOM 0 H GLY A 21 127.812 -4.188 -7.329 1.00 0.23 H new ATOM 0 HA2 GLY A 21 125.981 -4.119 -5.192 1.00 0.21 H new ATOM 0 HA3 GLY A 21 125.782 -5.030 -6.676 1.00 0.21 H new ATOM 324 N SER A 22 127.849 -6.661 -4.952 1.00 0.20 N ATOM 325 CA SER A 22 128.071 -7.924 -4.193 1.00 0.20 C ATOM 326 C SER A 22 128.135 -7.608 -2.702 1.00 0.19 C ATOM 327 O SER A 22 127.875 -8.445 -1.861 1.00 0.20 O ATOM 328 CB SER A 22 129.396 -8.540 -4.630 1.00 0.23 C ATOM 329 OG SER A 22 130.467 -7.731 -4.157 1.00 1.24 O ATOM 0 H SER A 22 128.687 -6.244 -5.357 1.00 0.20 H new ATOM 0 HA SER A 22 127.256 -8.621 -4.387 1.00 0.20 H new ATOM 0 HB2 SER A 22 129.488 -9.552 -4.236 1.00 0.23 H new ATOM 0 HB3 SER A 22 129.434 -8.616 -5.717 1.00 0.23 H new ATOM 0 HG SER A 22 130.502 -6.900 -4.675 1.00 1.24 H new ATOM 335 N LEU A 23 128.491 -6.400 -2.375 1.00 0.17 N ATOM 336 CA LEU A 23 128.588 -6.008 -0.940 1.00 0.18 C ATOM 337 C LEU A 23 127.211 -6.092 -0.284 1.00 0.18 C ATOM 338 O LEU A 23 126.209 -5.700 -0.851 1.00 0.17 O ATOM 339 CB LEU A 23 129.098 -4.570 -0.834 1.00 0.18 C ATOM 340 CG LEU A 23 130.549 -4.486 -1.326 1.00 0.21 C ATOM 341 CD1 LEU A 23 130.953 -3.014 -1.434 1.00 0.23 C ATOM 342 CD2 LEU A 23 131.493 -5.217 -0.348 1.00 0.24 C ATOM 0 H LEU A 23 128.720 -5.662 -3.041 1.00 0.17 H new ATOM 0 HA LEU A 23 129.277 -6.685 -0.435 1.00 0.18 H new ATOM 0 HB2 LEU A 23 128.466 -3.908 -1.426 1.00 0.18 H new ATOM 0 HB3 LEU A 23 129.036 -4.230 0.200 1.00 0.18 H new ATOM 0 HG LEU A 23 130.626 -4.965 -2.302 1.00 0.21 H new ATOM 0 HD11 LEU A 23 131.983 -2.944 -1.783 1.00 0.23 H new ATOM 0 HD12 LEU A 23 130.295 -2.507 -2.140 1.00 0.23 H new ATOM 0 HD13 LEU A 23 130.869 -2.541 -0.456 1.00 0.23 H new ATOM 0 HD21 LEU A 23 132.518 -5.148 -0.712 1.00 0.24 H new ATOM 0 HD22 LEU A 23 131.425 -4.755 0.637 1.00 0.24 H new ATOM 0 HD23 LEU A 23 131.203 -6.265 -0.277 1.00 0.24 H new ATOM 354 N ALA A 24 127.165 -6.589 0.915 1.00 0.18 N ATOM 355 CA ALA A 24 125.860 -6.692 1.624 1.00 0.19 C ATOM 356 C ALA A 24 125.310 -5.286 1.886 1.00 0.20 C ATOM 357 O ALA A 24 126.016 -4.396 2.318 1.00 0.20 O ATOM 358 CB ALA A 24 126.056 -7.422 2.955 1.00 0.21 C ATOM 0 H ALA A 24 127.973 -6.929 1.437 1.00 0.18 H new ATOM 0 HA ALA A 24 125.155 -7.249 1.007 1.00 0.19 H new ATOM 0 HB1 ALA A 24 125.100 -7.497 3.473 1.00 0.21 H new ATOM 0 HB2 ALA A 24 126.446 -8.422 2.767 1.00 0.21 H new ATOM 0 HB3 ALA A 24 126.762 -6.867 3.574 1.00 0.21 H new ATOM 364 N GLY A 25 124.045 -5.090 1.621 1.00 0.20 N ATOM 365 CA GLY A 25 123.415 -3.749 1.843 1.00 0.21 C ATOM 366 C GLY A 25 123.287 -3.009 0.506 1.00 0.21 C ATOM 367 O GLY A 25 122.488 -2.104 0.367 1.00 0.22 O ATOM 0 H GLY A 25 123.415 -5.805 1.258 1.00 0.20 H new ATOM 0 HA2 GLY A 25 122.432 -3.869 2.298 1.00 0.21 H new ATOM 0 HA3 GLY A 25 124.018 -3.164 2.537 1.00 0.21 H new ATOM 371 N ILE A 26 124.056 -3.391 -0.483 1.00 0.20 N ATOM 372 CA ILE A 26 123.967 -2.714 -1.817 1.00 0.21 C ATOM 373 C ILE A 26 123.131 -3.591 -2.748 1.00 0.23 C ATOM 374 O ILE A 26 123.496 -4.714 -3.037 1.00 0.25 O ATOM 375 CB ILE A 26 125.371 -2.551 -2.409 1.00 0.22 C ATOM 376 CG1 ILE A 26 126.282 -1.816 -1.413 1.00 0.22 C ATOM 377 CG2 ILE A 26 125.285 -1.753 -3.712 1.00 0.25 C ATOM 378 CD1 ILE A 26 125.634 -0.504 -0.955 1.00 0.24 C ATOM 0 H ILE A 26 124.743 -4.143 -0.426 1.00 0.20 H new ATOM 0 HA ILE A 26 123.509 -1.731 -1.704 1.00 0.21 H new ATOM 0 HB ILE A 26 125.790 -3.537 -2.611 1.00 0.22 H new ATOM 0 HG12 ILE A 26 126.475 -2.453 -0.550 1.00 0.22 H new ATOM 0 HG13 ILE A 26 127.246 -1.609 -1.878 1.00 0.22 H new ATOM 0 HG21 ILE A 26 126.283 -1.637 -4.134 1.00 0.25 H new ATOM 0 HG22 ILE A 26 124.651 -2.283 -4.422 1.00 0.25 H new ATOM 0 HG23 ILE A 26 124.860 -0.770 -3.509 1.00 0.25 H new ATOM 0 HD11 ILE A 26 126.294 0.001 -0.250 1.00 0.24 H new ATOM 0 HD12 ILE A 26 125.464 0.139 -1.819 1.00 0.24 H new ATOM 0 HD13 ILE A 26 124.682 -0.718 -0.470 1.00 0.24 H new ATOM 390 N GLY A 27 122.017 -3.102 -3.234 1.00 0.24 N ATOM 391 CA GLY A 27 121.173 -3.926 -4.155 1.00 0.28 C ATOM 392 C GLY A 27 121.486 -3.556 -5.609 1.00 0.28 C ATOM 393 O GLY A 27 122.320 -2.715 -5.881 1.00 0.27 O ATOM 0 H GLY A 27 121.656 -2.169 -3.033 1.00 0.24 H new ATOM 0 HA2 GLY A 27 121.365 -4.986 -3.990 1.00 0.28 H new ATOM 0 HA3 GLY A 27 120.117 -3.757 -3.945 1.00 0.28 H new ATOM 397 N GLU A 28 120.832 -4.188 -6.544 1.00 0.30 N ATOM 398 CA GLU A 28 121.101 -3.883 -7.980 1.00 0.32 C ATOM 399 C GLU A 28 120.852 -2.400 -8.267 1.00 0.32 C ATOM 400 O GLU A 28 121.584 -1.774 -9.008 1.00 0.34 O ATOM 401 CB GLU A 28 120.182 -4.730 -8.864 1.00 0.36 C ATOM 402 CG GLU A 28 120.629 -6.194 -8.822 1.00 0.39 C ATOM 403 CD GLU A 28 121.957 -6.341 -9.565 1.00 1.28 C ATOM 404 OE1 GLU A 28 122.142 -5.644 -10.549 1.00 2.01 O ATOM 405 OE2 GLU A 28 122.767 -7.146 -9.138 1.00 1.65 O ATOM 0 H GLU A 28 120.123 -4.902 -6.377 1.00 0.30 H new ATOM 0 HA GLU A 28 122.143 -4.116 -8.198 1.00 0.32 H new ATOM 0 HB2 GLU A 28 119.151 -4.645 -8.520 1.00 0.36 H new ATOM 0 HB3 GLU A 28 120.207 -4.361 -9.889 1.00 0.36 H new ATOM 0 HG2 GLU A 28 120.740 -6.522 -7.789 1.00 0.39 H new ATOM 0 HG3 GLU A 28 119.871 -6.830 -9.279 1.00 0.39 H new ATOM 412 N VAL A 29 119.823 -1.828 -7.705 1.00 0.31 N ATOM 413 CA VAL A 29 119.544 -0.388 -7.973 1.00 0.33 C ATOM 414 C VAL A 29 120.658 0.465 -7.365 1.00 0.33 C ATOM 415 O VAL A 29 121.184 1.361 -7.996 1.00 0.35 O ATOM 416 CB VAL A 29 118.198 -0.002 -7.349 1.00 0.34 C ATOM 417 CG1 VAL A 29 118.001 1.514 -7.433 1.00 0.38 C ATOM 418 CG2 VAL A 29 117.066 -0.705 -8.102 1.00 0.35 C ATOM 0 H VAL A 29 119.167 -2.291 -7.076 1.00 0.31 H new ATOM 0 HA VAL A 29 119.503 -0.217 -9.049 1.00 0.33 H new ATOM 0 HB VAL A 29 118.187 -0.308 -6.303 1.00 0.34 H new ATOM 0 HG11 VAL A 29 117.043 1.782 -6.988 1.00 0.38 H new ATOM 0 HG12 VAL A 29 118.804 2.016 -6.894 1.00 0.38 H new ATOM 0 HG13 VAL A 29 118.015 1.825 -8.477 1.00 0.38 H new ATOM 0 HG21 VAL A 29 116.109 -0.431 -7.659 1.00 0.35 H new ATOM 0 HG22 VAL A 29 117.081 -0.401 -9.149 1.00 0.35 H new ATOM 0 HG23 VAL A 29 117.201 -1.785 -8.036 1.00 0.35 H new ATOM 428 N LEU A 30 121.014 0.198 -6.142 1.00 0.32 N ATOM 429 CA LEU A 30 122.082 0.993 -5.479 1.00 0.32 C ATOM 430 C LEU A 30 123.416 0.731 -6.175 1.00 0.32 C ATOM 431 O LEU A 30 124.224 1.620 -6.352 1.00 0.33 O ATOM 432 CB LEU A 30 122.187 0.577 -4.009 1.00 0.32 C ATOM 433 CG LEU A 30 120.853 0.829 -3.296 1.00 0.35 C ATOM 434 CD1 LEU A 30 120.939 0.273 -1.872 1.00 0.36 C ATOM 435 CD2 LEU A 30 120.552 2.339 -3.243 1.00 0.40 C ATOM 0 H LEU A 30 120.608 -0.542 -5.569 1.00 0.32 H new ATOM 0 HA LEU A 30 121.839 2.054 -5.542 1.00 0.32 H new ATOM 0 HB2 LEU A 30 122.453 -0.478 -3.939 1.00 0.32 H new ATOM 0 HB3 LEU A 30 122.982 1.139 -3.519 1.00 0.32 H new ATOM 0 HG LEU A 30 120.052 0.333 -3.844 1.00 0.35 H new ATOM 0 HD11 LEU A 30 119.995 0.447 -1.356 1.00 0.36 H new ATOM 0 HD12 LEU A 30 121.139 -0.798 -1.911 1.00 0.36 H new ATOM 0 HD13 LEU A 30 121.744 0.773 -1.334 1.00 0.36 H new ATOM 0 HD21 LEU A 30 119.602 2.503 -2.734 1.00 0.40 H new ATOM 0 HD22 LEU A 30 121.347 2.850 -2.700 1.00 0.40 H new ATOM 0 HD23 LEU A 30 120.493 2.734 -4.257 1.00 0.40 H new ATOM 447 N GLY A 31 123.652 -0.489 -6.568 1.00 0.33 N ATOM 448 CA GLY A 31 124.933 -0.814 -7.249 1.00 0.34 C ATOM 449 C GLY A 31 125.057 0.020 -8.525 1.00 0.35 C ATOM 450 O GLY A 31 126.120 0.507 -8.859 1.00 0.35 O ATOM 0 H GLY A 31 123.013 -1.274 -6.447 1.00 0.33 H new ATOM 0 HA2 GLY A 31 125.773 -0.609 -6.585 1.00 0.34 H new ATOM 0 HA3 GLY A 31 124.970 -1.876 -7.491 1.00 0.34 H new ATOM 454 N LYS A 32 123.980 0.187 -9.242 1.00 0.35 N ATOM 455 CA LYS A 32 124.033 0.986 -10.498 1.00 0.37 C ATOM 456 C LYS A 32 124.380 2.444 -10.178 1.00 0.36 C ATOM 457 O LYS A 32 125.125 3.081 -10.897 1.00 0.38 O ATOM 458 CB LYS A 32 122.680 0.923 -11.205 1.00 0.39 C ATOM 459 CG LYS A 32 122.783 1.620 -12.563 1.00 1.18 C ATOM 460 CD LYS A 32 121.431 1.557 -13.273 1.00 1.37 C ATOM 461 CE LYS A 32 121.542 2.225 -14.645 1.00 2.06 C ATOM 462 NZ LYS A 32 122.608 1.551 -15.439 1.00 2.74 N ATOM 0 H LYS A 32 123.063 -0.197 -9.011 1.00 0.35 H new ATOM 0 HA LYS A 32 124.802 0.572 -11.150 1.00 0.37 H new ATOM 0 HB2 LYS A 32 122.375 -0.115 -11.339 1.00 0.39 H new ATOM 0 HB3 LYS A 32 121.916 1.403 -10.594 1.00 0.39 H new ATOM 0 HG2 LYS A 32 123.087 2.658 -12.429 1.00 1.18 H new ATOM 0 HG3 LYS A 32 123.549 1.140 -13.173 1.00 1.18 H new ATOM 0 HD2 LYS A 32 121.116 0.520 -13.386 1.00 1.37 H new ATOM 0 HD3 LYS A 32 120.670 2.057 -12.674 1.00 1.37 H new ATOM 0 HE2 LYS A 32 120.589 2.164 -15.170 1.00 2.06 H new ATOM 0 HE3 LYS A 32 121.774 3.284 -14.529 1.00 2.06 H new ATOM 0 HZ1 LYS A 32 122.478 1.767 -16.448 1.00 2.74 H new ATOM 0 HZ2 LYS A 32 123.540 1.893 -15.129 1.00 2.74 H new ATOM 0 HZ3 LYS A 32 122.551 0.523 -15.295 1.00 2.74 H new ATOM 476 N LYS A 33 123.840 2.989 -9.121 1.00 0.35 N ATOM 477 CA LYS A 33 124.144 4.411 -8.793 1.00 0.36 C ATOM 478 C LYS A 33 125.623 4.541 -8.420 1.00 0.34 C ATOM 479 O LYS A 33 126.323 5.403 -8.915 1.00 0.36 O ATOM 480 CB LYS A 33 123.275 4.848 -7.612 1.00 0.36 C ATOM 481 CG LYS A 33 121.809 4.877 -8.048 1.00 0.39 C ATOM 482 CD LYS A 33 120.930 5.311 -6.875 1.00 0.64 C ATOM 483 CE LYS A 33 119.468 5.337 -7.320 1.00 0.65 C ATOM 484 NZ LYS A 33 119.262 6.452 -8.285 1.00 1.54 N ATOM 0 H LYS A 33 123.207 2.516 -8.476 1.00 0.35 H new ATOM 0 HA LYS A 33 123.933 5.043 -9.655 1.00 0.36 H new ATOM 0 HB2 LYS A 33 123.404 4.160 -6.776 1.00 0.36 H new ATOM 0 HB3 LYS A 33 123.583 5.834 -7.264 1.00 0.36 H new ATOM 0 HG2 LYS A 33 121.682 5.565 -8.884 1.00 0.39 H new ATOM 0 HG3 LYS A 33 121.504 3.891 -8.398 1.00 0.39 H new ATOM 0 HD2 LYS A 33 121.055 4.623 -6.038 1.00 0.64 H new ATOM 0 HD3 LYS A 33 121.233 6.298 -6.525 1.00 0.64 H new ATOM 0 HE2 LYS A 33 119.201 4.387 -7.783 1.00 0.65 H new ATOM 0 HE3 LYS A 33 118.816 5.465 -6.456 1.00 0.65 H new ATOM 0 HZ1 LYS A 33 118.246 6.657 -8.367 1.00 1.54 H new ATOM 0 HZ2 LYS A 33 119.760 7.300 -7.947 1.00 1.54 H new ATOM 0 HZ3 LYS A 33 119.637 6.179 -9.216 1.00 1.54 H new ATOM 498 N LEU A 34 126.111 3.678 -7.573 1.00 0.32 N ATOM 499 CA LEU A 34 127.553 3.739 -7.198 1.00 0.31 C ATOM 500 C LEU A 34 128.404 3.503 -8.451 1.00 0.31 C ATOM 501 O LEU A 34 129.428 4.128 -8.651 1.00 0.33 O ATOM 502 CB LEU A 34 127.859 2.673 -6.137 1.00 0.29 C ATOM 503 CG LEU A 34 127.272 3.087 -4.774 1.00 0.30 C ATOM 504 CD1 LEU A 34 127.141 1.850 -3.882 1.00 0.30 C ATOM 505 CD2 LEU A 34 128.203 4.097 -4.074 1.00 0.34 C ATOM 0 H LEU A 34 125.576 2.934 -7.125 1.00 0.32 H new ATOM 0 HA LEU A 34 127.787 4.719 -6.782 1.00 0.31 H new ATOM 0 HB2 LEU A 34 127.441 1.715 -6.444 1.00 0.29 H new ATOM 0 HB3 LEU A 34 128.937 2.537 -6.050 1.00 0.29 H new ATOM 0 HG LEU A 34 126.297 3.544 -4.939 1.00 0.30 H new ATOM 0 HD11 LEU A 34 126.726 2.140 -2.917 1.00 0.30 H new ATOM 0 HD12 LEU A 34 126.480 1.126 -4.359 1.00 0.30 H new ATOM 0 HD13 LEU A 34 128.124 1.402 -3.735 1.00 0.30 H new ATOM 0 HD21 LEU A 34 127.775 4.380 -3.112 1.00 0.34 H new ATOM 0 HD22 LEU A 34 129.181 3.642 -3.916 1.00 0.34 H new ATOM 0 HD23 LEU A 34 128.312 4.984 -4.698 1.00 0.34 H new ATOM 517 N GLU A 35 127.985 2.598 -9.288 1.00 0.32 N ATOM 518 CA GLU A 35 128.777 2.317 -10.522 1.00 0.34 C ATOM 519 C GLU A 35 128.871 3.600 -11.353 1.00 0.37 C ATOM 520 O GLU A 35 129.916 3.948 -11.865 1.00 0.39 O ATOM 521 CB GLU A 35 128.091 1.218 -11.343 1.00 0.35 C ATOM 522 CG GLU A 35 128.915 0.918 -12.600 1.00 0.93 C ATOM 523 CD GLU A 35 128.225 -0.180 -13.414 1.00 1.02 C ATOM 524 OE1 GLU A 35 127.289 -0.770 -12.902 1.00 1.67 O ATOM 525 OE2 GLU A 35 128.647 -0.411 -14.536 1.00 1.36 O ATOM 0 H GLU A 35 127.136 2.043 -9.176 1.00 0.32 H new ATOM 0 HA GLU A 35 129.777 1.980 -10.248 1.00 0.34 H new ATOM 0 HB2 GLU A 35 127.985 0.315 -10.742 1.00 0.35 H new ATOM 0 HB3 GLU A 35 127.086 1.534 -11.623 1.00 0.35 H new ATOM 0 HG2 GLU A 35 129.020 1.820 -13.203 1.00 0.93 H new ATOM 0 HG3 GLU A 35 129.920 0.602 -12.322 1.00 0.93 H new ATOM 532 N GLU A 36 127.785 4.310 -11.476 1.00 0.39 N ATOM 533 CA GLU A 36 127.801 5.578 -12.256 1.00 0.43 C ATOM 534 C GLU A 36 128.721 6.574 -11.543 1.00 0.45 C ATOM 535 O GLU A 36 129.186 7.536 -12.120 1.00 0.49 O ATOM 536 CB GLU A 36 126.376 6.144 -12.326 1.00 0.45 C ATOM 537 CG GLU A 36 126.349 7.427 -13.165 1.00 1.12 C ATOM 538 CD GLU A 36 126.767 7.112 -14.603 1.00 1.39 C ATOM 539 OE1 GLU A 36 126.548 5.991 -15.030 1.00 2.00 O ATOM 540 OE2 GLU A 36 127.291 8.000 -15.254 1.00 1.86 O ATOM 0 H GLU A 36 126.883 4.065 -11.068 1.00 0.39 H new ATOM 0 HA GLU A 36 128.164 5.399 -13.268 1.00 0.43 H new ATOM 0 HB2 GLU A 36 125.705 5.403 -12.761 1.00 0.45 H new ATOM 0 HB3 GLU A 36 126.011 6.352 -11.320 1.00 0.45 H new ATOM 0 HG2 GLU A 36 125.349 7.860 -13.153 1.00 1.12 H new ATOM 0 HG3 GLU A 36 127.022 8.169 -12.735 1.00 1.12 H new ATOM 547 N ARG A 37 128.976 6.347 -10.283 1.00 0.42 N ATOM 548 CA ARG A 37 129.851 7.283 -9.516 1.00 0.45 C ATOM 549 C ARG A 37 131.319 6.841 -9.615 1.00 0.42 C ATOM 550 O ARG A 37 132.195 7.468 -9.053 1.00 0.43 O ATOM 551 CB ARG A 37 129.411 7.305 -8.048 1.00 0.45 C ATOM 552 CG ARG A 37 128.041 7.995 -7.926 1.00 0.53 C ATOM 553 CD ARG A 37 128.147 9.490 -8.291 1.00 0.86 C ATOM 554 NE ARG A 37 127.183 10.277 -7.457 1.00 1.42 N ATOM 555 CZ ARG A 37 125.934 9.910 -7.338 1.00 1.88 C ATOM 556 NH1 ARG A 37 125.446 8.967 -8.094 1.00 2.15 N ATOM 557 NH2 ARG A 37 125.154 10.532 -6.496 1.00 2.69 N ATOM 0 H ARG A 37 128.617 5.554 -9.751 1.00 0.42 H new ATOM 0 HA ARG A 37 129.759 8.284 -9.938 1.00 0.45 H new ATOM 0 HB2 ARG A 37 129.352 6.288 -7.661 1.00 0.45 H new ATOM 0 HB3 ARG A 37 130.150 7.833 -7.445 1.00 0.45 H new ATOM 0 HG2 ARG A 37 127.322 7.506 -8.583 1.00 0.53 H new ATOM 0 HG3 ARG A 37 127.665 7.890 -6.908 1.00 0.53 H new ATOM 0 HD2 ARG A 37 129.164 9.845 -8.123 1.00 0.86 H new ATOM 0 HD3 ARG A 37 127.930 9.633 -9.350 1.00 0.86 H new ATOM 0 HE ARG A 37 127.507 11.114 -6.973 1.00 1.42 H new ATOM 0 HH11 ARG A 37 126.040 8.509 -8.785 1.00 2.15 H new ATOM 0 HH12 ARG A 37 124.470 8.687 -7.994 1.00 2.15 H new ATOM 0 HH21 ARG A 37 125.520 11.301 -5.934 1.00 2.69 H new ATOM 0 HH22 ARG A 37 124.179 10.249 -6.400 1.00 2.69 H new ATOM 571 N GLY A 38 131.603 5.794 -10.356 1.00 0.40 N ATOM 572 CA GLY A 38 133.031 5.350 -10.528 1.00 0.39 C ATOM 573 C GLY A 38 133.358 4.126 -9.666 1.00 0.37 C ATOM 574 O GLY A 38 134.496 3.704 -9.605 1.00 0.48 O ATOM 0 H GLY A 38 130.912 5.228 -10.849 1.00 0.40 H new ATOM 0 HA2 GLY A 38 133.214 5.115 -11.576 1.00 0.39 H new ATOM 0 HA3 GLY A 38 133.700 6.169 -10.264 1.00 0.39 H new ATOM 578 N PHE A 39 132.392 3.541 -9.006 1.00 0.31 N ATOM 579 CA PHE A 39 132.673 2.335 -8.159 1.00 0.28 C ATOM 580 C PHE A 39 132.151 1.084 -8.873 1.00 0.28 C ATOM 581 O PHE A 39 131.123 0.540 -8.522 1.00 0.28 O ATOM 582 CB PHE A 39 131.936 2.486 -6.835 1.00 0.27 C ATOM 583 CG PHE A 39 132.504 3.647 -6.059 1.00 0.28 C ATOM 584 CD1 PHE A 39 131.972 4.926 -6.238 1.00 0.31 C ATOM 585 CD2 PHE A 39 133.555 3.445 -5.158 1.00 0.28 C ATOM 586 CE1 PHE A 39 132.490 6.008 -5.520 1.00 0.33 C ATOM 587 CE2 PHE A 39 134.076 4.528 -4.438 1.00 0.30 C ATOM 588 CZ PHE A 39 133.545 5.810 -4.620 1.00 0.32 C ATOM 0 H PHE A 39 131.418 3.844 -9.015 1.00 0.31 H new ATOM 0 HA PHE A 39 133.746 2.243 -7.988 1.00 0.28 H new ATOM 0 HB2 PHE A 39 130.873 2.645 -7.017 1.00 0.27 H new ATOM 0 HB3 PHE A 39 132.026 1.569 -6.252 1.00 0.27 H new ATOM 0 HD1 PHE A 39 131.159 5.079 -6.932 1.00 0.31 H new ATOM 0 HD2 PHE A 39 133.964 2.455 -5.018 1.00 0.28 H new ATOM 0 HE1 PHE A 39 132.077 6.996 -5.659 1.00 0.33 H new ATOM 0 HE2 PHE A 39 134.888 4.374 -3.742 1.00 0.30 H new ATOM 0 HZ PHE A 39 133.948 6.646 -4.067 1.00 0.32 H new ATOM 598 N ASP A 40 132.843 0.636 -9.886 1.00 0.30 N ATOM 599 CA ASP A 40 132.368 -0.566 -10.632 1.00 0.31 C ATOM 600 C ASP A 40 132.739 -1.845 -9.875 1.00 0.29 C ATOM 601 O ASP A 40 132.289 -2.921 -10.217 1.00 0.30 O ATOM 602 CB ASP A 40 133.018 -0.591 -12.017 1.00 0.35 C ATOM 603 CG ASP A 40 134.537 -0.696 -11.866 1.00 0.37 C ATOM 604 OD1 ASP A 40 135.028 -0.390 -10.792 1.00 0.37 O ATOM 605 OD2 ASP A 40 135.182 -1.076 -12.829 1.00 0.41 O ATOM 0 H ASP A 40 133.712 1.047 -10.228 1.00 0.30 H new ATOM 0 HA ASP A 40 131.284 -0.516 -10.730 1.00 0.31 H new ATOM 0 HB2 ASP A 40 132.640 -1.436 -12.593 1.00 0.35 H new ATOM 0 HB3 ASP A 40 132.758 0.312 -12.569 1.00 0.35 H new ATOM 610 N LYS A 41 133.561 -1.745 -8.858 1.00 0.28 N ATOM 611 CA LYS A 41 133.968 -2.966 -8.085 1.00 0.28 C ATOM 612 C LYS A 41 133.843 -2.700 -6.581 1.00 0.23 C ATOM 613 O LYS A 41 133.913 -1.577 -6.122 1.00 0.23 O ATOM 614 CB LYS A 41 135.415 -3.328 -8.438 1.00 0.34 C ATOM 615 CG LYS A 41 135.532 -3.651 -9.938 1.00 0.48 C ATOM 616 CD LYS A 41 134.842 -4.988 -10.255 1.00 0.74 C ATOM 617 CE LYS A 41 135.312 -5.499 -11.619 1.00 0.71 C ATOM 618 NZ LYS A 41 136.794 -5.658 -11.613 1.00 1.56 N ATOM 0 H LYS A 41 133.969 -0.870 -8.528 1.00 0.28 H new ATOM 0 HA LYS A 41 133.313 -3.797 -8.347 1.00 0.28 H new ATOM 0 HB2 LYS A 41 136.077 -2.500 -8.184 1.00 0.34 H new ATOM 0 HB3 LYS A 41 135.737 -4.186 -7.848 1.00 0.34 H new ATOM 0 HG2 LYS A 41 135.078 -2.852 -10.525 1.00 0.48 H new ATOM 0 HG3 LYS A 41 136.582 -3.700 -10.225 1.00 0.48 H new ATOM 0 HD2 LYS A 41 135.074 -5.720 -9.482 1.00 0.74 H new ATOM 0 HD3 LYS A 41 133.760 -4.858 -10.257 1.00 0.74 H new ATOM 0 HE2 LYS A 41 134.835 -6.453 -11.845 1.00 0.71 H new ATOM 0 HE3 LYS A 41 135.015 -4.801 -12.402 1.00 0.71 H new ATOM 0 HZ1 LYS A 41 137.227 -4.902 -12.181 1.00 1.56 H new ATOM 0 HZ2 LYS A 41 137.145 -5.601 -10.636 1.00 1.56 H new ATOM 0 HZ3 LYS A 41 137.046 -6.582 -12.018 1.00 1.56 H new ATOM 632 N ALA A 42 133.631 -3.742 -5.820 1.00 0.21 N ATOM 633 CA ALA A 42 133.460 -3.602 -4.339 1.00 0.20 C ATOM 634 C ALA A 42 134.726 -3.061 -3.664 1.00 0.18 C ATOM 635 O ALA A 42 134.654 -2.208 -2.801 1.00 0.18 O ATOM 636 CB ALA A 42 133.134 -4.977 -3.756 1.00 0.21 C ATOM 0 H ALA A 42 133.568 -4.700 -6.166 1.00 0.21 H new ATOM 0 HA ALA A 42 132.654 -2.892 -4.153 1.00 0.20 H new ATOM 0 HB1 ALA A 42 133.006 -4.894 -2.677 1.00 0.21 H new ATOM 0 HB2 ALA A 42 132.213 -5.353 -4.203 1.00 0.21 H new ATOM 0 HB3 ALA A 42 133.950 -5.667 -3.972 1.00 0.21 H new ATOM 642 N TYR A 43 135.873 -3.564 -4.009 1.00 0.19 N ATOM 643 CA TYR A 43 137.118 -3.088 -3.338 1.00 0.18 C ATOM 644 C TYR A 43 137.268 -1.569 -3.490 1.00 0.17 C ATOM 645 O TYR A 43 137.998 -0.938 -2.753 1.00 0.17 O ATOM 646 CB TYR A 43 138.341 -3.803 -3.918 1.00 0.20 C ATOM 647 CG TYR A 43 138.582 -3.355 -5.337 1.00 0.21 C ATOM 648 CD1 TYR A 43 139.242 -2.149 -5.578 1.00 0.21 C ATOM 649 CD2 TYR A 43 138.162 -4.153 -6.407 1.00 0.24 C ATOM 650 CE1 TYR A 43 139.484 -1.736 -6.890 1.00 0.25 C ATOM 651 CE2 TYR A 43 138.402 -3.740 -7.721 1.00 0.28 C ATOM 652 CZ TYR A 43 139.063 -2.530 -7.964 1.00 0.28 C ATOM 653 OH TYR A 43 139.304 -2.124 -9.260 1.00 0.32 O ATOM 0 H TYR A 43 136.007 -4.281 -4.722 1.00 0.19 H new ATOM 0 HA TYR A 43 137.047 -3.322 -2.276 1.00 0.18 H new ATOM 0 HB2 TYR A 43 139.219 -3.590 -3.308 1.00 0.20 H new ATOM 0 HB3 TYR A 43 138.187 -4.882 -3.891 1.00 0.20 H new ATOM 0 HD1 TYR A 43 139.565 -1.535 -4.750 1.00 0.21 H new ATOM 0 HD2 TYR A 43 137.653 -5.087 -6.218 1.00 0.24 H new ATOM 0 HE1 TYR A 43 139.996 -0.804 -7.076 1.00 0.25 H new ATOM 0 HE2 TYR A 43 138.078 -4.354 -8.548 1.00 0.28 H new ATOM 0 HH TYR A 43 138.948 -2.791 -9.883 1.00 0.32 H new ATOM 663 N VAL A 44 136.573 -0.969 -4.420 1.00 0.18 N ATOM 664 CA VAL A 44 136.675 0.514 -4.584 1.00 0.18 C ATOM 665 C VAL A 44 135.796 1.176 -3.515 1.00 0.17 C ATOM 666 O VAL A 44 136.100 2.229 -2.985 1.00 0.18 O ATOM 667 CB VAL A 44 136.183 0.918 -5.980 1.00 0.20 C ATOM 668 CG1 VAL A 44 136.440 2.416 -6.212 1.00 0.22 C ATOM 669 CG2 VAL A 44 136.927 0.106 -7.046 1.00 0.24 C ATOM 0 H VAL A 44 135.942 -1.437 -5.071 1.00 0.18 H new ATOM 0 HA VAL A 44 137.711 0.834 -4.473 1.00 0.18 H new ATOM 0 HB VAL A 44 135.114 0.719 -6.050 1.00 0.20 H new ATOM 0 HG11 VAL A 44 136.088 2.696 -7.205 1.00 0.22 H new ATOM 0 HG12 VAL A 44 135.906 2.997 -5.461 1.00 0.22 H new ATOM 0 HG13 VAL A 44 137.508 2.618 -6.135 1.00 0.22 H new ATOM 0 HG21 VAL A 44 136.575 0.396 -8.036 1.00 0.24 H new ATOM 0 HG22 VAL A 44 137.997 0.300 -6.970 1.00 0.24 H new ATOM 0 HG23 VAL A 44 136.739 -0.956 -6.891 1.00 0.24 H new ATOM 679 N VAL A 45 134.712 0.526 -3.191 1.00 0.17 N ATOM 680 CA VAL A 45 133.789 1.058 -2.150 1.00 0.17 C ATOM 681 C VAL A 45 134.452 0.844 -0.795 1.00 0.16 C ATOM 682 O VAL A 45 134.410 1.691 0.075 1.00 0.16 O ATOM 683 CB VAL A 45 132.448 0.315 -2.204 1.00 0.18 C ATOM 684 CG1 VAL A 45 131.602 0.687 -0.983 1.00 0.22 C ATOM 685 CG2 VAL A 45 131.693 0.711 -3.479 1.00 0.20 C ATOM 0 H VAL A 45 134.424 -0.359 -3.607 1.00 0.17 H new ATOM 0 HA VAL A 45 133.594 2.117 -2.317 1.00 0.17 H new ATOM 0 HB VAL A 45 132.634 -0.759 -2.205 1.00 0.18 H new ATOM 0 HG11 VAL A 45 130.650 0.157 -1.025 1.00 0.22 H new ATOM 0 HG12 VAL A 45 132.133 0.407 -0.073 1.00 0.22 H new ATOM 0 HG13 VAL A 45 131.419 1.762 -0.981 1.00 0.22 H new ATOM 0 HG21 VAL A 45 130.740 0.183 -3.517 1.00 0.20 H new ATOM 0 HG22 VAL A 45 131.512 1.786 -3.476 1.00 0.20 H new ATOM 0 HG23 VAL A 45 132.289 0.446 -4.352 1.00 0.20 H new ATOM 695 N LEU A 46 135.103 -0.271 -0.628 1.00 0.17 N ATOM 696 CA LEU A 46 135.813 -0.532 0.648 1.00 0.18 C ATOM 697 C LEU A 46 136.827 0.592 0.857 1.00 0.17 C ATOM 698 O LEU A 46 137.041 1.059 1.956 1.00 0.18 O ATOM 699 CB LEU A 46 136.537 -1.887 0.555 1.00 0.22 C ATOM 700 CG LEU A 46 137.522 -2.058 1.722 1.00 0.25 C ATOM 701 CD1 LEU A 46 136.778 -1.947 3.053 1.00 0.40 C ATOM 702 CD2 LEU A 46 138.204 -3.428 1.631 1.00 0.35 C ATOM 0 H LEU A 46 135.173 -1.014 -1.324 1.00 0.17 H new ATOM 0 HA LEU A 46 135.114 -0.565 1.484 1.00 0.18 H new ATOM 0 HB2 LEU A 46 135.807 -2.696 0.567 1.00 0.22 H new ATOM 0 HB3 LEU A 46 137.072 -1.955 -0.392 1.00 0.22 H new ATOM 0 HG LEU A 46 138.277 -1.274 1.665 1.00 0.25 H new ATOM 0 HD11 LEU A 46 137.483 -2.069 3.875 1.00 0.40 H new ATOM 0 HD12 LEU A 46 136.304 -0.968 3.124 1.00 0.40 H new ATOM 0 HD13 LEU A 46 136.016 -2.724 3.110 1.00 0.40 H new ATOM 0 HD21 LEU A 46 138.901 -3.543 2.461 1.00 0.35 H new ATOM 0 HD22 LEU A 46 137.450 -4.214 1.679 1.00 0.35 H new ATOM 0 HD23 LEU A 46 138.747 -3.502 0.689 1.00 0.35 H new ATOM 714 N GLY A 47 137.457 1.019 -0.199 1.00 0.17 N ATOM 715 CA GLY A 47 138.467 2.102 -0.084 1.00 0.18 C ATOM 716 C GLY A 47 137.831 3.343 0.538 1.00 0.18 C ATOM 717 O GLY A 47 138.405 3.973 1.403 1.00 0.18 O ATOM 0 H GLY A 47 137.314 0.661 -1.143 1.00 0.17 H new ATOM 0 HA2 GLY A 47 139.304 1.767 0.528 1.00 0.18 H new ATOM 0 HA3 GLY A 47 138.868 2.343 -1.068 1.00 0.18 H new ATOM 721 N GLN A 48 136.645 3.696 0.123 1.00 0.17 N ATOM 722 CA GLN A 48 135.992 4.896 0.716 1.00 0.18 C ATOM 723 C GLN A 48 135.828 4.668 2.219 1.00 0.17 C ATOM 724 O GLN A 48 136.089 5.540 3.025 1.00 0.18 O ATOM 725 CB GLN A 48 134.616 5.090 0.078 1.00 0.19 C ATOM 726 CG GLN A 48 134.050 6.446 0.498 1.00 0.22 C ATOM 727 CD GLN A 48 134.817 7.560 -0.217 1.00 0.28 C ATOM 728 OE1 GLN A 48 135.144 7.439 -1.382 1.00 0.98 O ATOM 729 NE2 GLN A 48 135.123 8.649 0.434 1.00 1.09 N ATOM 0 H GLN A 48 136.105 3.211 -0.594 1.00 0.17 H new ATOM 0 HA GLN A 48 136.601 5.782 0.537 1.00 0.18 H new ATOM 0 HB2 GLN A 48 134.695 5.037 -1.008 1.00 0.19 H new ATOM 0 HB3 GLN A 48 133.943 4.291 0.388 1.00 0.19 H new ATOM 0 HG2 GLN A 48 132.990 6.502 0.251 1.00 0.22 H new ATOM 0 HG3 GLN A 48 134.132 6.568 1.578 1.00 0.22 H new ATOM 0 HE21 GLN A 48 134.850 8.753 1.411 1.00 1.09 H new ATOM 0 HE22 GLN A 48 135.635 9.396 -0.034 1.00 1.09 H new ATOM 738 N PHE A 49 135.420 3.489 2.599 1.00 0.17 N ATOM 739 CA PHE A 49 135.260 3.173 4.046 1.00 0.17 C ATOM 740 C PHE A 49 136.619 3.342 4.735 1.00 0.18 C ATOM 741 O PHE A 49 136.717 3.856 5.832 1.00 0.19 O ATOM 742 CB PHE A 49 134.767 1.729 4.172 1.00 0.17 C ATOM 743 CG PHE A 49 134.586 1.348 5.624 1.00 0.19 C ATOM 744 CD1 PHE A 49 133.593 1.966 6.393 1.00 0.23 C ATOM 745 CD2 PHE A 49 135.400 0.362 6.196 1.00 0.28 C ATOM 746 CE1 PHE A 49 133.417 1.600 7.732 1.00 0.26 C ATOM 747 CE2 PHE A 49 135.224 -0.002 7.535 1.00 0.31 C ATOM 748 CZ PHE A 49 134.233 0.617 8.303 1.00 0.26 C ATOM 0 H PHE A 49 135.189 2.725 1.964 1.00 0.17 H new ATOM 0 HA PHE A 49 134.538 3.840 4.518 1.00 0.17 H new ATOM 0 HB2 PHE A 49 133.822 1.615 3.641 1.00 0.17 H new ATOM 0 HB3 PHE A 49 135.481 1.054 3.700 1.00 0.17 H new ATOM 0 HD1 PHE A 49 132.963 2.725 5.953 1.00 0.23 H new ATOM 0 HD2 PHE A 49 136.164 -0.118 5.603 1.00 0.28 H new ATOM 0 HE1 PHE A 49 132.651 2.077 8.325 1.00 0.26 H new ATOM 0 HE2 PHE A 49 135.853 -0.761 7.976 1.00 0.31 H new ATOM 0 HZ PHE A 49 134.097 0.336 9.337 1.00 0.26 H new ATOM 758 N LEU A 50 137.664 2.923 4.086 1.00 0.19 N ATOM 759 CA LEU A 50 139.019 3.074 4.694 1.00 0.21 C ATOM 760 C LEU A 50 139.386 4.565 4.708 1.00 0.21 C ATOM 761 O LEU A 50 139.966 5.062 5.651 1.00 0.23 O ATOM 762 CB LEU A 50 140.058 2.291 3.879 1.00 0.23 C ATOM 763 CG LEU A 50 139.737 0.784 3.897 1.00 0.23 C ATOM 764 CD1 LEU A 50 140.746 0.034 3.009 1.00 0.28 C ATOM 765 CD2 LEU A 50 139.816 0.240 5.337 1.00 0.28 C ATOM 0 H LEU A 50 137.644 2.484 3.165 1.00 0.19 H new ATOM 0 HA LEU A 50 139.010 2.680 5.710 1.00 0.21 H new ATOM 0 HB2 LEU A 50 140.070 2.654 2.851 1.00 0.23 H new ATOM 0 HB3 LEU A 50 141.053 2.461 4.289 1.00 0.23 H new ATOM 0 HG LEU A 50 138.727 0.632 3.516 1.00 0.23 H new ATOM 0 HD11 LEU A 50 140.519 -1.032 3.021 1.00 0.28 H new ATOM 0 HD12 LEU A 50 140.679 0.407 1.987 1.00 0.28 H new ATOM 0 HD13 LEU A 50 141.755 0.195 3.389 1.00 0.28 H new ATOM 0 HD21 LEU A 50 139.587 -0.826 5.336 1.00 0.28 H new ATOM 0 HD22 LEU A 50 140.821 0.395 5.730 1.00 0.28 H new ATOM 0 HD23 LEU A 50 139.096 0.765 5.964 1.00 0.28 H new ATOM 777 N VAL A 51 139.061 5.276 3.662 1.00 0.21 N ATOM 778 CA VAL A 51 139.403 6.732 3.599 1.00 0.23 C ATOM 779 C VAL A 51 138.581 7.528 4.627 1.00 0.23 C ATOM 780 O VAL A 51 138.985 8.588 5.063 1.00 0.24 O ATOM 781 CB VAL A 51 139.130 7.269 2.186 1.00 0.25 C ATOM 782 CG1 VAL A 51 139.254 8.797 2.176 1.00 0.28 C ATOM 783 CG2 VAL A 51 140.154 6.678 1.213 1.00 0.27 C ATOM 0 H VAL A 51 138.572 4.912 2.844 1.00 0.21 H new ATOM 0 HA VAL A 51 140.461 6.851 3.835 1.00 0.23 H new ATOM 0 HB VAL A 51 138.122 6.985 1.884 1.00 0.25 H new ATOM 0 HG11 VAL A 51 139.059 9.171 1.171 1.00 0.28 H new ATOM 0 HG12 VAL A 51 138.530 9.225 2.869 1.00 0.28 H new ATOM 0 HG13 VAL A 51 140.261 9.082 2.481 1.00 0.28 H new ATOM 0 HG21 VAL A 51 139.963 7.057 0.209 1.00 0.27 H new ATOM 0 HG22 VAL A 51 141.159 6.964 1.524 1.00 0.27 H new ATOM 0 HG23 VAL A 51 140.070 5.591 1.212 1.00 0.27 H new ATOM 793 N LEU A 52 137.430 7.040 5.008 1.00 0.22 N ATOM 794 CA LEU A 52 136.588 7.792 5.998 1.00 0.23 C ATOM 795 C LEU A 52 136.953 7.365 7.423 1.00 0.23 C ATOM 796 O LEU A 52 136.235 7.642 8.363 1.00 0.24 O ATOM 797 CB LEU A 52 135.100 7.521 5.739 1.00 0.24 C ATOM 798 CG LEU A 52 134.672 8.124 4.390 1.00 0.25 C ATOM 799 CD1 LEU A 52 133.199 7.785 4.137 1.00 0.31 C ATOM 800 CD2 LEU A 52 134.853 9.658 4.401 1.00 0.27 C ATOM 0 H LEU A 52 137.034 6.159 4.681 1.00 0.22 H new ATOM 0 HA LEU A 52 136.778 8.859 5.884 1.00 0.23 H new ATOM 0 HB2 LEU A 52 134.914 6.447 5.740 1.00 0.24 H new ATOM 0 HB3 LEU A 52 134.501 7.949 6.542 1.00 0.24 H new ATOM 0 HG LEU A 52 135.295 7.706 3.599 1.00 0.25 H new ATOM 0 HD11 LEU A 52 132.887 8.209 3.182 1.00 0.31 H new ATOM 0 HD12 LEU A 52 133.074 6.702 4.112 1.00 0.31 H new ATOM 0 HD13 LEU A 52 132.587 8.202 4.937 1.00 0.31 H new ATOM 0 HD21 LEU A 52 134.545 10.068 3.439 1.00 0.27 H new ATOM 0 HD22 LEU A 52 134.241 10.091 5.192 1.00 0.27 H new ATOM 0 HD23 LEU A 52 135.901 9.899 4.580 1.00 0.27 H new ATOM 812 N LYS A 53 138.065 6.710 7.597 1.00 0.22 N ATOM 813 CA LYS A 53 138.481 6.285 8.964 1.00 0.23 C ATOM 814 C LYS A 53 137.352 5.521 9.657 1.00 0.24 C ATOM 815 O LYS A 53 137.241 5.528 10.866 1.00 0.30 O ATOM 816 CB LYS A 53 138.849 7.518 9.788 1.00 0.29 C ATOM 817 CG LYS A 53 140.039 8.218 9.132 1.00 0.38 C ATOM 818 CD LYS A 53 140.420 9.454 9.944 1.00 0.49 C ATOM 819 CE LYS A 53 141.611 10.149 9.283 1.00 0.90 C ATOM 820 NZ LYS A 53 142.774 9.217 9.249 1.00 1.70 N ATOM 0 H LYS A 53 138.707 6.449 6.849 1.00 0.22 H new ATOM 0 HA LYS A 53 139.345 5.626 8.880 1.00 0.23 H new ATOM 0 HB2 LYS A 53 137.999 8.198 9.849 1.00 0.29 H new ATOM 0 HB3 LYS A 53 139.099 7.228 10.809 1.00 0.29 H new ATOM 0 HG2 LYS A 53 140.887 7.535 9.071 1.00 0.38 H new ATOM 0 HG3 LYS A 53 139.787 8.505 8.111 1.00 0.38 H new ATOM 0 HD2 LYS A 53 139.573 10.138 10.005 1.00 0.49 H new ATOM 0 HD3 LYS A 53 140.673 9.168 10.965 1.00 0.49 H new ATOM 0 HE2 LYS A 53 141.349 10.458 8.271 1.00 0.90 H new ATOM 0 HE3 LYS A 53 141.871 11.052 9.835 1.00 0.90 H new ATOM 0 HZ1 LYS A 53 143.567 9.632 9.778 1.00 1.70 H new ATOM 0 HZ2 LYS A 53 142.505 8.311 9.683 1.00 1.70 H new ATOM 0 HZ3 LYS A 53 143.062 9.057 8.263 1.00 1.70 H new ATOM 834 N LYS A 54 136.528 4.849 8.896 1.00 0.22 N ATOM 835 CA LYS A 54 135.410 4.046 9.476 1.00 0.25 C ATOM 836 C LYS A 54 134.459 4.942 10.278 1.00 0.27 C ATOM 837 O LYS A 54 133.697 4.459 11.092 1.00 0.33 O ATOM 838 CB LYS A 54 135.988 2.971 10.403 1.00 0.35 C ATOM 839 CG LYS A 54 137.079 2.197 9.663 1.00 0.67 C ATOM 840 CD LYS A 54 137.661 1.122 10.583 1.00 0.83 C ATOM 841 CE LYS A 54 138.752 0.349 9.839 1.00 1.41 C ATOM 842 NZ LYS A 54 139.501 -0.505 10.802 1.00 2.24 N ATOM 0 H LYS A 54 136.584 4.822 7.878 1.00 0.22 H new ATOM 0 HA LYS A 54 134.853 3.583 8.661 1.00 0.25 H new ATOM 0 HB2 LYS A 54 136.399 3.432 11.301 1.00 0.35 H new ATOM 0 HB3 LYS A 54 135.200 2.291 10.726 1.00 0.35 H new ATOM 0 HG2 LYS A 54 136.667 1.737 8.765 1.00 0.67 H new ATOM 0 HG3 LYS A 54 137.866 2.878 9.340 1.00 0.67 H new ATOM 0 HD2 LYS A 54 138.074 1.582 11.481 1.00 0.83 H new ATOM 0 HD3 LYS A 54 136.874 0.441 10.907 1.00 0.83 H new ATOM 0 HE2 LYS A 54 138.307 -0.269 9.059 1.00 1.41 H new ATOM 0 HE3 LYS A 54 139.433 1.043 9.347 1.00 1.41 H new ATOM 0 HZ1 LYS A 54 140.517 -0.469 10.581 1.00 2.24 H new ATOM 0 HZ2 LYS A 54 139.344 -0.157 11.769 1.00 2.24 H new ATOM 0 HZ3 LYS A 54 139.166 -1.487 10.729 1.00 2.24 H new ATOM 856 N ASP A 55 134.462 6.229 10.058 1.00 0.29 N ATOM 857 CA ASP A 55 133.512 7.085 10.825 1.00 0.39 C ATOM 858 C ASP A 55 132.092 6.754 10.354 1.00 0.37 C ATOM 859 O ASP A 55 131.747 6.941 9.205 1.00 0.37 O ATOM 860 CB ASP A 55 133.822 8.561 10.573 1.00 0.46 C ATOM 861 CG ASP A 55 135.060 8.969 11.373 1.00 1.18 C ATOM 862 OD1 ASP A 55 135.190 8.515 12.498 1.00 1.80 O ATOM 863 OD2 ASP A 55 135.854 9.734 10.851 1.00 1.55 O ATOM 0 H ASP A 55 135.066 6.716 9.396 1.00 0.29 H new ATOM 0 HA ASP A 55 133.606 6.895 11.894 1.00 0.39 H new ATOM 0 HB2 ASP A 55 133.991 8.731 9.510 1.00 0.46 H new ATOM 0 HB3 ASP A 55 132.970 9.177 10.863 1.00 0.46 H new ATOM 868 N GLU A 56 131.280 6.225 11.229 1.00 0.38 N ATOM 869 CA GLU A 56 129.893 5.832 10.842 1.00 0.37 C ATOM 870 C GLU A 56 129.051 7.034 10.396 1.00 0.38 C ATOM 871 O GLU A 56 128.283 6.941 9.463 1.00 0.37 O ATOM 872 CB GLU A 56 129.217 5.159 12.043 1.00 0.39 C ATOM 873 CG GLU A 56 127.813 4.685 11.656 1.00 0.41 C ATOM 874 CD GLU A 56 127.184 3.942 12.836 1.00 0.62 C ATOM 875 OE1 GLU A 56 126.579 4.598 13.669 1.00 0.87 O ATOM 876 OE2 GLU A 56 127.313 2.730 12.885 1.00 0.85 O ATOM 0 H GLU A 56 131.520 6.046 12.204 1.00 0.38 H new ATOM 0 HA GLU A 56 129.961 5.148 9.996 1.00 0.37 H new ATOM 0 HB2 GLU A 56 129.815 4.313 12.380 1.00 0.39 H new ATOM 0 HB3 GLU A 56 129.157 5.859 12.876 1.00 0.39 H new ATOM 0 HG2 GLU A 56 127.194 5.537 11.377 1.00 0.41 H new ATOM 0 HG3 GLU A 56 127.865 4.030 10.786 1.00 0.41 H new ATOM 883 N ASP A 57 129.166 8.155 11.050 1.00 0.40 N ATOM 884 CA ASP A 57 128.339 9.330 10.644 1.00 0.41 C ATOM 885 C ASP A 57 128.794 9.841 9.278 1.00 0.40 C ATOM 886 O ASP A 57 127.989 10.193 8.439 1.00 0.40 O ATOM 887 CB ASP A 57 128.504 10.445 11.682 1.00 0.45 C ATOM 888 CG ASP A 57 127.821 10.038 12.990 1.00 0.47 C ATOM 889 OD1 ASP A 57 126.917 9.224 12.936 1.00 0.64 O ATOM 890 OD2 ASP A 57 128.219 10.547 14.025 1.00 0.73 O ATOM 0 H ASP A 57 129.790 8.311 11.842 1.00 0.40 H new ATOM 0 HA ASP A 57 127.293 9.030 10.584 1.00 0.41 H new ATOM 0 HB2 ASP A 57 129.562 10.638 11.858 1.00 0.45 H new ATOM 0 HB3 ASP A 57 128.070 11.372 11.307 1.00 0.45 H new ATOM 895 N LEU A 58 130.065 9.865 9.036 1.00 0.40 N ATOM 896 CA LEU A 58 130.542 10.335 7.705 1.00 0.40 C ATOM 897 C LEU A 58 130.224 9.269 6.654 1.00 0.37 C ATOM 898 O LEU A 58 129.821 9.573 5.548 1.00 0.38 O ATOM 899 CB LEU A 58 132.052 10.601 7.737 1.00 0.40 C ATOM 900 CG LEU A 58 132.383 11.687 8.773 1.00 0.47 C ATOM 901 CD1 LEU A 58 133.904 11.881 8.832 1.00 0.45 C ATOM 902 CD2 LEU A 58 131.712 13.017 8.379 1.00 0.55 C ATOM 0 H LEU A 58 130.794 9.584 9.691 1.00 0.40 H new ATOM 0 HA LEU A 58 130.035 11.266 7.452 1.00 0.40 H new ATOM 0 HB2 LEU A 58 132.584 9.682 7.981 1.00 0.40 H new ATOM 0 HB3 LEU A 58 132.393 10.914 6.750 1.00 0.40 H new ATOM 0 HG LEU A 58 132.010 11.377 9.749 1.00 0.47 H new ATOM 0 HD11 LEU A 58 134.144 12.651 9.566 1.00 0.45 H new ATOM 0 HD12 LEU A 58 134.379 10.944 9.120 1.00 0.45 H new ATOM 0 HD13 LEU A 58 134.270 12.187 7.852 1.00 0.45 H new ATOM 0 HD21 LEU A 58 131.953 13.780 9.120 1.00 0.55 H new ATOM 0 HD22 LEU A 58 132.076 13.333 7.401 1.00 0.55 H new ATOM 0 HD23 LEU A 58 130.631 12.881 8.337 1.00 0.55 H new ATOM 914 N PHE A 59 130.390 8.019 6.996 1.00 0.36 N ATOM 915 CA PHE A 59 130.084 6.931 6.023 1.00 0.35 C ATOM 916 C PHE A 59 128.594 6.938 5.665 1.00 0.35 C ATOM 917 O PHE A 59 128.226 6.880 4.509 1.00 0.35 O ATOM 918 CB PHE A 59 130.452 5.573 6.623 1.00 0.34 C ATOM 919 CG PHE A 59 130.137 4.481 5.626 1.00 0.33 C ATOM 920 CD1 PHE A 59 131.104 4.072 4.700 1.00 0.35 C ATOM 921 CD2 PHE A 59 128.872 3.880 5.627 1.00 0.36 C ATOM 922 CE1 PHE A 59 130.808 3.062 3.777 1.00 0.36 C ATOM 923 CE2 PHE A 59 128.575 2.870 4.704 1.00 0.38 C ATOM 924 CZ PHE A 59 129.543 2.460 3.780 1.00 0.36 C ATOM 0 H PHE A 59 130.724 7.705 7.907 1.00 0.36 H new ATOM 0 HA PHE A 59 130.670 7.102 5.120 1.00 0.35 H new ATOM 0 HB2 PHE A 59 131.511 5.552 6.880 1.00 0.34 H new ATOM 0 HB3 PHE A 59 129.897 5.409 7.546 1.00 0.34 H new ATOM 0 HD1 PHE A 59 132.079 4.536 4.698 1.00 0.35 H new ATOM 0 HD2 PHE A 59 128.125 4.196 6.340 1.00 0.36 H new ATOM 0 HE1 PHE A 59 131.555 2.747 3.063 1.00 0.36 H new ATOM 0 HE2 PHE A 59 127.599 2.407 4.705 1.00 0.38 H new ATOM 0 HZ PHE A 59 129.315 1.680 3.069 1.00 0.36 H new ATOM 934 N ARG A 60 127.729 6.978 6.651 1.00 0.37 N ATOM 935 CA ARG A 60 126.269 6.948 6.349 1.00 0.38 C ATOM 936 C ARG A 60 125.874 8.137 5.483 1.00 0.39 C ATOM 937 O ARG A 60 125.141 7.994 4.524 1.00 0.39 O ATOM 938 CB ARG A 60 125.452 6.994 7.644 1.00 0.42 C ATOM 939 CG ARG A 60 125.600 5.678 8.409 1.00 0.43 C ATOM 940 CD ARG A 60 124.754 5.740 9.682 1.00 0.50 C ATOM 941 NE ARG A 60 125.195 6.889 10.519 1.00 1.31 N ATOM 942 CZ ARG A 60 124.421 7.331 11.474 1.00 1.55 C ATOM 943 NH1 ARG A 60 123.266 6.764 11.695 1.00 1.16 N ATOM 944 NH2 ARG A 60 124.800 8.343 12.205 1.00 2.64 N ATOM 0 H ARG A 60 127.971 7.030 7.641 1.00 0.37 H new ATOM 0 HA ARG A 60 126.061 6.021 5.814 1.00 0.38 H new ATOM 0 HB2 ARG A 60 125.788 7.824 8.265 1.00 0.42 H new ATOM 0 HB3 ARG A 60 124.402 7.173 7.414 1.00 0.42 H new ATOM 0 HG2 ARG A 60 125.280 4.843 7.786 1.00 0.43 H new ATOM 0 HG3 ARG A 60 126.646 5.505 8.661 1.00 0.43 H new ATOM 0 HD2 ARG A 60 123.700 5.847 9.425 1.00 0.50 H new ATOM 0 HD3 ARG A 60 124.853 4.810 10.242 1.00 0.50 H new ATOM 0 HE ARG A 60 126.099 7.330 10.347 1.00 1.31 H new ATOM 0 HH11 ARG A 60 122.967 5.975 11.122 1.00 1.16 H new ATOM 0 HH12 ARG A 60 122.662 7.110 12.441 1.00 1.16 H new ATOM 0 HH21 ARG A 60 125.701 8.789 12.031 1.00 2.64 H new ATOM 0 HH22 ARG A 60 124.196 8.688 12.951 1.00 2.64 H new ATOM 958 N GLU A 61 126.340 9.312 5.799 1.00 0.41 N ATOM 959 CA GLU A 61 125.968 10.488 4.975 1.00 0.44 C ATOM 960 C GLU A 61 126.564 10.322 3.578 1.00 0.42 C ATOM 961 O GLU A 61 125.952 10.672 2.588 1.00 0.42 O ATOM 962 CB GLU A 61 126.508 11.757 5.635 1.00 0.48 C ATOM 963 CG GLU A 61 125.729 12.018 6.927 1.00 1.29 C ATOM 964 CD GLU A 61 126.256 13.284 7.602 1.00 1.76 C ATOM 965 OE1 GLU A 61 127.281 13.782 7.167 1.00 2.37 O ATOM 966 OE2 GLU A 61 125.624 13.737 8.542 1.00 2.32 O ATOM 0 H GLU A 61 126.958 9.506 6.587 1.00 0.41 H new ATOM 0 HA GLU A 61 124.884 10.566 4.896 1.00 0.44 H new ATOM 0 HB2 GLU A 61 127.570 11.645 5.852 1.00 0.48 H new ATOM 0 HB3 GLU A 61 126.408 12.605 4.958 1.00 0.48 H new ATOM 0 HG2 GLU A 61 124.667 12.127 6.707 1.00 1.29 H new ATOM 0 HG3 GLU A 61 125.829 11.167 7.601 1.00 1.29 H new ATOM 973 N TRP A 62 127.750 9.792 3.484 1.00 0.40 N ATOM 974 CA TRP A 62 128.374 9.608 2.143 1.00 0.38 C ATOM 975 C TRP A 62 127.575 8.605 1.304 1.00 0.36 C ATOM 976 O TRP A 62 127.272 8.849 0.155 1.00 0.36 O ATOM 977 CB TRP A 62 129.811 9.087 2.302 1.00 0.38 C ATOM 978 CG TRP A 62 130.347 8.703 0.955 1.00 0.36 C ATOM 979 CD1 TRP A 62 130.902 9.558 0.067 1.00 0.38 C ATOM 980 CD2 TRP A 62 130.364 7.388 0.324 1.00 0.34 C ATOM 981 NE1 TRP A 62 131.261 8.853 -1.070 1.00 0.37 N ATOM 982 CE2 TRP A 62 130.950 7.512 -0.959 1.00 0.35 C ATOM 983 CE3 TRP A 62 129.934 6.113 0.737 1.00 0.32 C ATOM 984 CZ2 TRP A 62 131.103 6.407 -1.802 1.00 0.34 C ATOM 985 CZ3 TRP A 62 130.090 5.002 -0.109 1.00 0.31 C ATOM 986 CH2 TRP A 62 130.672 5.149 -1.374 1.00 0.32 C ATOM 0 H TRP A 62 128.314 9.479 4.274 1.00 0.40 H new ATOM 0 HA TRP A 62 128.380 10.574 1.637 1.00 0.38 H new ATOM 0 HB2 TRP A 62 130.441 9.854 2.752 1.00 0.38 H new ATOM 0 HB3 TRP A 62 129.827 8.227 2.972 1.00 0.38 H new ATOM 0 HD1 TRP A 62 131.043 10.618 0.219 1.00 0.38 H new ATOM 0 HE1 TRP A 62 131.701 9.273 -1.889 1.00 0.37 H new ATOM 0 HE3 TRP A 62 129.482 5.988 1.710 1.00 0.32 H new ATOM 0 HZ2 TRP A 62 131.551 6.525 -2.777 1.00 0.34 H new ATOM 0 HZ3 TRP A 62 129.759 4.028 0.219 1.00 0.31 H new ATOM 0 HH2 TRP A 62 130.788 4.290 -2.019 1.00 0.32 H new ATOM 997 N LEU A 63 127.251 7.473 1.859 1.00 0.34 N ATOM 998 CA LEU A 63 126.499 6.455 1.076 1.00 0.32 C ATOM 999 C LEU A 63 125.093 6.983 0.773 1.00 0.33 C ATOM 1000 O LEU A 63 124.619 6.912 -0.342 1.00 0.32 O ATOM 1001 CB LEU A 63 126.421 5.156 1.895 1.00 0.31 C ATOM 1002 CG LEU A 63 125.652 4.068 1.129 1.00 0.31 C ATOM 1003 CD1 LEU A 63 126.433 3.643 -0.125 1.00 0.30 C ATOM 1004 CD2 LEU A 63 125.463 2.855 2.046 1.00 0.32 C ATOM 0 H LEU A 63 127.473 7.208 2.819 1.00 0.34 H new ATOM 0 HA LEU A 63 127.006 6.254 0.133 1.00 0.32 H new ATOM 0 HB2 LEU A 63 127.427 4.804 2.122 1.00 0.31 H new ATOM 0 HB3 LEU A 63 125.929 5.352 2.848 1.00 0.31 H new ATOM 0 HG LEU A 63 124.683 4.462 0.821 1.00 0.31 H new ATOM 0 HD11 LEU A 63 125.876 2.872 -0.657 1.00 0.30 H new ATOM 0 HD12 LEU A 63 126.572 4.505 -0.777 1.00 0.30 H new ATOM 0 HD13 LEU A 63 127.406 3.250 0.168 1.00 0.30 H new ATOM 0 HD21 LEU A 63 124.918 2.077 1.512 1.00 0.32 H new ATOM 0 HD22 LEU A 63 126.438 2.473 2.349 1.00 0.32 H new ATOM 0 HD23 LEU A 63 124.899 3.152 2.930 1.00 0.32 H new ATOM 1016 N LYS A 64 124.429 7.522 1.756 1.00 0.35 N ATOM 1017 CA LYS A 64 123.060 8.068 1.534 1.00 0.37 C ATOM 1018 C LYS A 64 123.130 9.226 0.537 1.00 0.39 C ATOM 1019 O LYS A 64 122.352 9.314 -0.391 1.00 0.39 O ATOM 1020 CB LYS A 64 122.486 8.561 2.872 1.00 0.41 C ATOM 1021 CG LYS A 64 121.010 9.012 2.709 1.00 0.43 C ATOM 1022 CD LYS A 64 120.920 10.535 2.500 1.00 0.68 C ATOM 1023 CE LYS A 64 119.454 10.971 2.564 1.00 1.25 C ATOM 1024 NZ LYS A 64 118.962 10.852 3.965 1.00 2.11 N ATOM 0 H LYS A 64 124.778 7.609 2.711 1.00 0.35 H new ATOM 0 HA LYS A 64 122.413 7.289 1.131 1.00 0.37 H new ATOM 0 HB2 LYS A 64 122.547 7.765 3.614 1.00 0.41 H new ATOM 0 HB3 LYS A 64 123.085 9.392 3.245 1.00 0.41 H new ATOM 0 HG2 LYS A 64 120.560 8.497 1.860 1.00 0.43 H new ATOM 0 HG3 LYS A 64 120.439 8.728 3.593 1.00 0.43 H new ATOM 0 HD2 LYS A 64 121.499 11.053 3.265 1.00 0.68 H new ATOM 0 HD3 LYS A 64 121.350 10.807 1.536 1.00 0.68 H new ATOM 0 HE2 LYS A 64 119.354 12.000 2.218 1.00 1.25 H new ATOM 0 HE3 LYS A 64 118.850 10.352 1.901 1.00 1.25 H new ATOM 0 HZ1 LYS A 64 118.146 11.483 4.101 1.00 2.11 H new ATOM 0 HZ2 LYS A 64 118.675 9.870 4.150 1.00 2.11 H new ATOM 0 HZ3 LYS A 64 119.721 11.121 4.623 1.00 2.11 H new ATOM 1038 N ASP A 65 124.062 10.114 0.735 1.00 0.41 N ATOM 1039 CA ASP A 65 124.206 11.277 -0.182 1.00 0.45 C ATOM 1040 C ASP A 65 124.701 10.804 -1.549 1.00 0.43 C ATOM 1041 O ASP A 65 124.417 11.404 -2.566 1.00 0.46 O ATOM 1042 CB ASP A 65 125.212 12.268 0.408 1.00 0.49 C ATOM 1043 CG ASP A 65 125.207 13.555 -0.417 1.00 1.17 C ATOM 1044 OD1 ASP A 65 125.511 13.480 -1.596 1.00 1.90 O ATOM 1045 OD2 ASP A 65 124.902 14.595 0.143 1.00 1.42 O ATOM 0 H ASP A 65 124.736 10.083 1.500 1.00 0.41 H new ATOM 0 HA ASP A 65 123.237 11.763 -0.300 1.00 0.45 H new ATOM 0 HB2 ASP A 65 124.957 12.487 1.445 1.00 0.49 H new ATOM 0 HB3 ASP A 65 126.210 11.830 0.412 1.00 0.49 H new ATOM 1050 N THR A 66 125.475 9.752 -1.577 1.00 0.40 N ATOM 1051 CA THR A 66 126.028 9.266 -2.871 1.00 0.39 C ATOM 1052 C THR A 66 124.987 8.486 -3.677 1.00 0.39 C ATOM 1053 O THR A 66 124.980 8.568 -4.890 1.00 0.41 O ATOM 1054 CB THR A 66 127.239 8.368 -2.605 1.00 0.38 C ATOM 1055 OG1 THR A 66 128.253 9.121 -1.957 1.00 0.37 O ATOM 1056 CG2 THR A 66 127.777 7.829 -3.932 1.00 0.39 C ATOM 0 H THR A 66 125.748 9.209 -0.758 1.00 0.40 H new ATOM 0 HA THR A 66 126.323 10.137 -3.455 1.00 0.39 H new ATOM 0 HB THR A 66 126.940 7.535 -1.968 1.00 0.38 H new ATOM 0 HG1 THR A 66 128.186 8.993 -0.988 1.00 0.37 H new ATOM 0 HG21 THR A 66 128.639 7.190 -3.742 1.00 0.39 H new ATOM 0 HG22 THR A 66 127.000 7.251 -4.432 1.00 0.39 H new ATOM 0 HG23 THR A 66 128.076 8.662 -4.569 1.00 0.39 H new ATOM 1064 N CYS A 67 124.135 7.696 -3.055 1.00 0.37 N ATOM 1065 CA CYS A 67 123.144 6.889 -3.849 1.00 0.38 C ATOM 1066 C CYS A 67 121.719 7.048 -3.315 1.00 0.37 C ATOM 1067 O CYS A 67 120.761 6.868 -4.041 1.00 0.40 O ATOM 1068 CB CYS A 67 123.539 5.412 -3.774 1.00 0.37 C ATOM 1069 SG CYS A 67 123.867 4.960 -2.052 1.00 0.36 S ATOM 0 H CYS A 67 124.083 7.576 -2.043 1.00 0.37 H new ATOM 0 HA CYS A 67 123.160 7.250 -4.877 1.00 0.38 H new ATOM 0 HB2 CYS A 67 122.740 4.790 -4.178 1.00 0.37 H new ATOM 0 HB3 CYS A 67 124.424 5.230 -4.384 1.00 0.37 H new ATOM 0 HG CYS A 67 124.434 5.958 -1.442 1.00 0.36 H new ATOM 1075 N GLY A 68 121.566 7.367 -2.056 1.00 0.36 N ATOM 1076 CA GLY A 68 120.194 7.520 -1.475 1.00 0.36 C ATOM 1077 C GLY A 68 119.874 6.292 -0.618 1.00 0.34 C ATOM 1078 O GLY A 68 118.741 6.074 -0.234 1.00 0.34 O ATOM 0 H GLY A 68 122.332 7.529 -1.402 1.00 0.36 H new ATOM 0 HA2 GLY A 68 120.140 8.425 -0.870 1.00 0.36 H new ATOM 0 HA3 GLY A 68 119.458 7.625 -2.272 1.00 0.36 H new ATOM 1082 N ALA A 69 120.859 5.491 -0.305 1.00 0.33 N ATOM 1083 CA ALA A 69 120.597 4.288 0.536 1.00 0.32 C ATOM 1084 C ALA A 69 119.845 4.716 1.799 1.00 0.31 C ATOM 1085 O ALA A 69 119.944 5.845 2.236 1.00 0.32 O ATOM 1086 CB ALA A 69 121.927 3.635 0.923 1.00 0.32 C ATOM 0 H ALA A 69 121.829 5.618 -0.594 1.00 0.33 H new ATOM 0 HA ALA A 69 119.996 3.571 -0.022 1.00 0.32 H new ATOM 0 HB1 ALA A 69 121.735 2.756 1.538 1.00 0.32 H new ATOM 0 HB2 ALA A 69 122.462 3.338 0.021 1.00 0.32 H new ATOM 0 HB3 ALA A 69 122.531 4.346 1.486 1.00 0.32 H new ATOM 1092 N ASN A 70 119.086 3.831 2.388 1.00 0.30 N ATOM 1093 CA ASN A 70 118.323 4.203 3.618 1.00 0.30 C ATOM 1094 C ASN A 70 119.161 3.893 4.861 1.00 0.30 C ATOM 1095 O ASN A 70 120.279 3.428 4.773 1.00 0.29 O ATOM 1096 CB ASN A 70 117.010 3.412 3.666 1.00 0.30 C ATOM 1097 CG ASN A 70 117.305 1.916 3.778 1.00 1.06 C ATOM 1098 OD1 ASN A 70 118.166 1.512 4.527 1.00 1.90 O ATOM 1099 ND2 ASN A 70 116.619 1.072 3.060 1.00 1.77 N ATOM 0 H ASN A 70 118.961 2.869 2.073 1.00 0.30 H new ATOM 0 HA ASN A 70 118.100 5.270 3.596 1.00 0.30 H new ATOM 0 HB2 ASN A 70 116.411 3.738 4.516 1.00 0.30 H new ATOM 0 HB3 ASN A 70 116.424 3.609 2.768 1.00 0.30 H new ATOM 0 HD21 ASN A 70 116.808 0.072 3.129 1.00 1.77 H new ATOM 0 HD22 ASN A 70 115.893 1.411 2.429 1.00 1.77 H new ATOM 1106 N ALA A 71 118.626 4.165 6.019 1.00 0.32 N ATOM 1107 CA ALA A 71 119.380 3.911 7.280 1.00 0.34 C ATOM 1108 C ALA A 71 119.590 2.408 7.496 1.00 0.32 C ATOM 1109 O ALA A 71 120.586 1.991 8.046 1.00 0.32 O ATOM 1110 CB ALA A 71 118.592 4.481 8.459 1.00 0.39 C ATOM 0 H ALA A 71 117.692 4.555 6.147 1.00 0.32 H new ATOM 0 HA ALA A 71 120.355 4.393 7.207 1.00 0.34 H new ATOM 0 HB1 ALA A 71 119.138 4.298 9.384 1.00 0.39 H new ATOM 0 HB2 ALA A 71 118.458 5.554 8.322 1.00 0.39 H new ATOM 0 HB3 ALA A 71 117.616 3.998 8.512 1.00 0.39 H new ATOM 1116 N LYS A 72 118.662 1.590 7.082 1.00 0.30 N ATOM 1117 CA LYS A 72 118.831 0.121 7.291 1.00 0.29 C ATOM 1118 C LYS A 72 119.919 -0.413 6.358 1.00 0.27 C ATOM 1119 O LYS A 72 120.714 -1.257 6.726 1.00 0.27 O ATOM 1120 CB LYS A 72 117.505 -0.593 7.013 1.00 0.29 C ATOM 1121 CG LYS A 72 117.651 -2.092 7.299 1.00 1.18 C ATOM 1122 CD LYS A 72 116.319 -2.793 7.019 1.00 1.29 C ATOM 1123 CE LYS A 72 116.457 -4.291 7.303 1.00 2.11 C ATOM 1124 NZ LYS A 72 116.624 -4.511 8.768 1.00 2.58 N ATOM 0 H LYS A 72 117.801 1.870 6.612 1.00 0.30 H new ATOM 0 HA LYS A 72 119.128 -0.066 8.323 1.00 0.29 H new ATOM 0 HB2 LYS A 72 116.716 -0.170 7.635 1.00 0.29 H new ATOM 0 HB3 LYS A 72 117.209 -0.439 5.975 1.00 0.29 H new ATOM 0 HG2 LYS A 72 118.437 -2.518 6.676 1.00 1.18 H new ATOM 0 HG3 LYS A 72 117.947 -2.249 8.336 1.00 1.18 H new ATOM 0 HD2 LYS A 72 115.534 -2.365 7.642 1.00 1.29 H new ATOM 0 HD3 LYS A 72 116.024 -2.635 5.982 1.00 1.29 H new ATOM 0 HE2 LYS A 72 115.575 -4.822 6.944 1.00 2.11 H new ATOM 0 HE3 LYS A 72 117.314 -4.696 6.765 1.00 2.11 H new ATOM 0 HZ1 LYS A 72 116.447 -5.511 8.991 1.00 2.58 H new ATOM 0 HZ2 LYS A 72 117.593 -4.260 9.048 1.00 2.58 H new ATOM 0 HZ3 LYS A 72 115.948 -3.916 9.288 1.00 2.58 H new ATOM 1138 N GLN A 73 119.946 0.063 5.145 1.00 0.26 N ATOM 1139 CA GLN A 73 120.954 -0.413 4.164 1.00 0.25 C ATOM 1140 C GLN A 73 122.354 0.017 4.588 1.00 0.25 C ATOM 1141 O GLN A 73 123.313 -0.710 4.416 1.00 0.25 O ATOM 1142 CB GLN A 73 120.632 0.171 2.787 1.00 0.26 C ATOM 1143 CG GLN A 73 119.358 -0.482 2.248 1.00 0.29 C ATOM 1144 CD GLN A 73 118.895 0.257 0.991 1.00 1.24 C ATOM 1145 OE1 GLN A 73 119.158 1.433 0.832 1.00 2.12 O ATOM 1146 NE2 GLN A 73 118.216 -0.388 0.083 1.00 1.88 N ATOM 0 H GLN A 73 119.303 0.771 4.789 1.00 0.26 H new ATOM 0 HA GLN A 73 120.922 -1.502 4.121 1.00 0.25 H new ATOM 0 HB2 GLN A 73 120.499 1.250 2.859 1.00 0.26 H new ATOM 0 HB3 GLN A 73 121.462 -0.003 2.102 1.00 0.26 H new ATOM 0 HG2 GLN A 73 119.544 -1.531 2.018 1.00 0.29 H new ATOM 0 HG3 GLN A 73 118.575 -0.456 3.006 1.00 0.29 H new ATOM 0 HE21 GLN A 73 117.995 -1.375 0.216 1.00 1.88 H new ATOM 0 HE22 GLN A 73 117.906 0.095 -0.760 1.00 1.88 H new ATOM 1155 N SER A 74 122.490 1.197 5.130 1.00 0.26 N ATOM 1156 CA SER A 74 123.836 1.666 5.547 1.00 0.27 C ATOM 1157 C SER A 74 124.347 0.819 6.715 1.00 0.26 C ATOM 1158 O SER A 74 125.519 0.512 6.793 1.00 0.26 O ATOM 1159 CB SER A 74 123.756 3.132 5.970 1.00 0.30 C ATOM 1160 OG SER A 74 123.256 3.211 7.299 1.00 1.36 O ATOM 0 H SER A 74 121.728 1.853 5.300 1.00 0.26 H new ATOM 0 HA SER A 74 124.526 1.566 4.709 1.00 0.27 H new ATOM 0 HB2 SER A 74 124.742 3.593 5.912 1.00 0.30 H new ATOM 0 HB3 SER A 74 123.106 3.683 5.291 1.00 0.30 H new ATOM 0 HG SER A 74 122.364 2.807 7.338 1.00 1.36 H new ATOM 1166 N ARG A 75 123.490 0.433 7.630 1.00 0.27 N ATOM 1167 CA ARG A 75 123.964 -0.393 8.776 1.00 0.28 C ATOM 1168 C ARG A 75 124.562 -1.687 8.234 1.00 0.26 C ATOM 1169 O ARG A 75 125.540 -2.186 8.753 1.00 0.27 O ATOM 1170 CB ARG A 75 122.800 -0.720 9.719 1.00 0.30 C ATOM 1171 CG ARG A 75 122.352 0.547 10.456 1.00 0.33 C ATOM 1172 CD ARG A 75 121.192 0.199 11.393 1.00 0.61 C ATOM 1173 NE ARG A 75 120.537 1.452 11.898 1.00 1.34 N ATOM 1174 CZ ARG A 75 121.213 2.383 12.523 1.00 1.81 C ATOM 1175 NH1 ARG A 75 122.448 2.178 12.888 1.00 1.88 N ATOM 1176 NH2 ARG A 75 120.625 3.506 12.835 1.00 2.80 N ATOM 0 H ARG A 75 122.494 0.653 7.631 1.00 0.27 H new ATOM 0 HA ARG A 75 124.716 0.164 9.335 1.00 0.28 H new ATOM 0 HB2 ARG A 75 121.967 -1.135 9.152 1.00 0.30 H new ATOM 0 HB3 ARG A 75 123.106 -1.480 10.438 1.00 0.30 H new ATOM 0 HG2 ARG A 75 123.183 0.964 11.025 1.00 0.33 H new ATOM 0 HG3 ARG A 75 122.042 1.308 9.740 1.00 0.33 H new ATOM 0 HD2 ARG A 75 120.461 -0.415 10.866 1.00 0.61 H new ATOM 0 HD3 ARG A 75 121.558 -0.392 12.233 1.00 0.61 H new ATOM 0 HE ARG A 75 119.536 1.582 11.750 1.00 1.34 H new ATOM 0 HH11 ARG A 75 122.898 1.285 12.687 1.00 1.88 H new ATOM 0 HH12 ARG A 75 122.964 2.911 13.374 1.00 1.88 H new ATOM 0 HH21 ARG A 75 119.645 3.653 12.592 1.00 2.80 H new ATOM 0 HH22 ARG A 75 121.145 4.236 13.322 1.00 2.80 H new ATOM 1190 N ASP A 76 123.988 -2.252 7.206 1.00 0.25 N ATOM 1191 CA ASP A 76 124.521 -3.523 6.649 1.00 0.24 C ATOM 1192 C ASP A 76 125.889 -3.299 6.003 1.00 0.23 C ATOM 1193 O ASP A 76 126.780 -4.113 6.140 1.00 0.23 O ATOM 1194 CB ASP A 76 123.545 -4.071 5.606 1.00 0.24 C ATOM 1195 CG ASP A 76 122.276 -4.568 6.304 1.00 0.25 C ATOM 1196 OD1 ASP A 76 122.358 -4.897 7.476 1.00 0.40 O ATOM 1197 OD2 ASP A 76 121.245 -4.614 5.654 1.00 0.39 O ATOM 0 H ASP A 76 123.167 -1.883 6.727 1.00 0.25 H new ATOM 0 HA ASP A 76 124.635 -4.240 7.462 1.00 0.24 H new ATOM 0 HB2 ASP A 76 123.295 -3.294 4.883 1.00 0.24 H new ATOM 0 HB3 ASP A 76 124.010 -4.885 5.050 1.00 0.24 H new ATOM 1202 N CYS A 77 126.083 -2.212 5.306 1.00 0.22 N ATOM 1203 CA CYS A 77 127.412 -1.975 4.676 1.00 0.22 C ATOM 1204 C CYS A 77 128.463 -1.720 5.756 1.00 0.22 C ATOM 1205 O CYS A 77 129.586 -2.173 5.652 1.00 0.21 O ATOM 1206 CB CYS A 77 127.332 -0.754 3.755 1.00 0.23 C ATOM 1207 SG CYS A 77 126.326 -1.157 2.306 1.00 0.24 S ATOM 0 H CYS A 77 125.386 -1.485 5.147 1.00 0.22 H new ATOM 0 HA CYS A 77 127.693 -2.856 4.098 1.00 0.22 H new ATOM 0 HB2 CYS A 77 126.897 0.090 4.290 1.00 0.23 H new ATOM 0 HB3 CYS A 77 128.333 -0.453 3.444 1.00 0.23 H new ATOM 0 HG CYS A 77 126.157 -2.444 2.239 1.00 0.24 H new ATOM 1213 N PHE A 78 128.131 -0.987 6.786 1.00 0.23 N ATOM 1214 CA PHE A 78 129.148 -0.710 7.839 1.00 0.25 C ATOM 1215 C PHE A 78 129.636 -2.030 8.435 1.00 0.24 C ATOM 1216 O PHE A 78 130.808 -2.351 8.384 1.00 0.23 O ATOM 1217 CB PHE A 78 128.511 0.138 8.943 1.00 0.29 C ATOM 1218 CG PHE A 78 129.533 0.431 10.016 1.00 0.32 C ATOM 1219 CD1 PHE A 78 129.689 -0.448 11.095 1.00 0.38 C ATOM 1220 CD2 PHE A 78 130.325 1.581 9.930 1.00 0.36 C ATOM 1221 CE1 PHE A 78 130.637 -0.175 12.089 1.00 0.43 C ATOM 1222 CE2 PHE A 78 131.272 1.855 10.925 1.00 0.41 C ATOM 1223 CZ PHE A 78 131.428 0.978 12.004 1.00 0.43 C ATOM 0 H PHE A 78 127.212 -0.573 6.942 1.00 0.23 H new ATOM 0 HA PHE A 78 129.991 -0.174 7.402 1.00 0.25 H new ATOM 0 HB2 PHE A 78 128.131 1.070 8.525 1.00 0.29 H new ATOM 0 HB3 PHE A 78 127.659 -0.389 9.373 1.00 0.29 H new ATOM 0 HD1 PHE A 78 129.078 -1.336 11.161 1.00 0.38 H new ATOM 0 HD2 PHE A 78 130.206 2.257 9.097 1.00 0.36 H new ATOM 0 HE1 PHE A 78 130.758 -0.853 12.921 1.00 0.43 H new ATOM 0 HE2 PHE A 78 131.882 2.744 10.859 1.00 0.41 H new ATOM 0 HZ PHE A 78 132.158 1.190 12.771 1.00 0.43 H new ATOM 1233 N GLY A 79 128.747 -2.793 9.008 1.00 0.25 N ATOM 1234 CA GLY A 79 129.146 -4.090 9.623 1.00 0.26 C ATOM 1235 C GLY A 79 129.766 -5.010 8.569 1.00 0.24 C ATOM 1236 O GLY A 79 130.654 -5.782 8.854 1.00 0.24 O ATOM 0 H GLY A 79 127.754 -2.572 9.077 1.00 0.25 H new ATOM 0 HA2 GLY A 79 129.860 -3.914 10.427 1.00 0.26 H new ATOM 0 HA3 GLY A 79 128.276 -4.572 10.069 1.00 0.26 H new ATOM 1240 N CYS A 80 129.305 -4.935 7.356 1.00 0.22 N ATOM 1241 CA CYS A 80 129.877 -5.815 6.294 1.00 0.22 C ATOM 1242 C CYS A 80 131.317 -5.401 5.995 1.00 0.22 C ATOM 1243 O CYS A 80 132.218 -6.218 6.000 1.00 0.23 O ATOM 1244 CB CYS A 80 129.042 -5.683 5.018 1.00 0.22 C ATOM 1245 SG CYS A 80 129.659 -6.843 3.772 1.00 0.25 S ATOM 0 H CYS A 80 128.561 -4.308 7.050 1.00 0.22 H new ATOM 0 HA CYS A 80 129.862 -6.848 6.641 1.00 0.22 H new ATOM 0 HB2 CYS A 80 127.993 -5.888 5.234 1.00 0.22 H new ATOM 0 HB3 CYS A 80 129.096 -4.662 4.639 1.00 0.22 H new ATOM 0 HG CYS A 80 129.645 -6.273 2.604 1.00 0.25 H new ATOM 1251 N LEU A 81 131.550 -4.145 5.744 1.00 0.21 N ATOM 1252 CA LEU A 81 132.946 -3.715 5.460 1.00 0.21 C ATOM 1253 C LEU A 81 133.762 -3.727 6.757 1.00 0.22 C ATOM 1254 O LEU A 81 134.906 -4.136 6.778 1.00 0.22 O ATOM 1255 CB LEU A 81 132.925 -2.300 4.876 1.00 0.22 C ATOM 1256 CG LEU A 81 132.065 -2.273 3.603 1.00 0.24 C ATOM 1257 CD1 LEU A 81 132.056 -0.854 3.032 1.00 0.30 C ATOM 1258 CD2 LEU A 81 132.626 -3.254 2.556 1.00 0.28 C ATOM 0 H LEU A 81 130.846 -3.407 5.723 1.00 0.21 H new ATOM 0 HA LEU A 81 133.403 -4.399 4.745 1.00 0.21 H new ATOM 0 HB2 LEU A 81 132.526 -1.600 5.610 1.00 0.22 H new ATOM 0 HB3 LEU A 81 133.940 -1.977 4.646 1.00 0.22 H new ATOM 0 HG LEU A 81 131.048 -2.576 3.852 1.00 0.24 H new ATOM 0 HD11 LEU A 81 131.447 -0.829 2.128 1.00 0.30 H new ATOM 0 HD12 LEU A 81 131.639 -0.168 3.769 1.00 0.30 H new ATOM 0 HD13 LEU A 81 133.075 -0.552 2.791 1.00 0.30 H new ATOM 0 HD21 LEU A 81 132.006 -3.224 1.660 1.00 0.28 H new ATOM 0 HD22 LEU A 81 133.647 -2.969 2.301 1.00 0.28 H new ATOM 0 HD23 LEU A 81 132.623 -4.264 2.965 1.00 0.28 H new ATOM 1270 N ARG A 82 133.184 -3.278 7.842 1.00 0.22 N ATOM 1271 CA ARG A 82 133.920 -3.257 9.141 1.00 0.24 C ATOM 1272 C ARG A 82 134.340 -4.676 9.531 1.00 0.25 C ATOM 1273 O ARG A 82 135.454 -4.910 9.955 1.00 0.26 O ATOM 1274 CB ARG A 82 133.003 -2.666 10.220 1.00 0.28 C ATOM 1275 CG ARG A 82 133.652 -2.760 11.609 1.00 0.33 C ATOM 1276 CD ARG A 82 135.027 -2.089 11.600 1.00 0.84 C ATOM 1277 NE ARG A 82 135.437 -1.791 13.001 1.00 1.41 N ATOM 1278 CZ ARG A 82 136.683 -1.512 13.270 1.00 1.95 C ATOM 1279 NH1 ARG A 82 137.572 -1.510 12.315 1.00 2.25 N ATOM 1280 NH2 ARG A 82 137.039 -1.237 14.494 1.00 2.73 N ATOM 0 H ARG A 82 132.229 -2.923 7.883 1.00 0.22 H new ATOM 0 HA ARG A 82 134.817 -2.646 9.044 1.00 0.24 H new ATOM 0 HB2 ARG A 82 132.786 -1.624 9.986 1.00 0.28 H new ATOM 0 HB3 ARG A 82 132.051 -3.197 10.223 1.00 0.28 H new ATOM 0 HG2 ARG A 82 133.011 -2.282 12.350 1.00 0.33 H new ATOM 0 HG3 ARG A 82 133.752 -3.805 11.901 1.00 0.33 H new ATOM 0 HD2 ARG A 82 135.760 -2.741 11.125 1.00 0.84 H new ATOM 0 HD3 ARG A 82 134.992 -1.170 11.015 1.00 0.84 H new ATOM 0 HE ARG A 82 134.744 -1.805 13.749 1.00 1.41 H new ATOM 0 HH11 ARG A 82 137.293 -1.727 11.358 1.00 2.25 H new ATOM 0 HH12 ARG A 82 138.546 -1.292 12.525 1.00 2.25 H new ATOM 0 HH21 ARG A 82 136.344 -1.240 15.240 1.00 2.73 H new ATOM 0 HH22 ARG A 82 138.013 -1.019 14.705 1.00 2.73 H new ATOM 1294 N GLU A 83 133.455 -5.622 9.394 1.00 0.25 N ATOM 1295 CA GLU A 83 133.798 -7.025 9.759 1.00 0.28 C ATOM 1296 C GLU A 83 134.795 -7.613 8.760 1.00 0.27 C ATOM 1297 O GLU A 83 135.703 -8.327 9.141 1.00 0.29 O ATOM 1298 CB GLU A 83 132.525 -7.874 9.809 1.00 0.30 C ATOM 1299 CG GLU A 83 131.702 -7.461 11.034 1.00 0.33 C ATOM 1300 CD GLU A 83 130.416 -8.284 11.099 1.00 1.19 C ATOM 1301 OE1 GLU A 83 130.443 -9.341 11.707 1.00 1.56 O ATOM 1302 OE2 GLU A 83 129.426 -7.845 10.539 1.00 1.91 O ATOM 0 H GLU A 83 132.507 -5.485 9.044 1.00 0.25 H new ATOM 0 HA GLU A 83 134.264 -7.028 10.744 1.00 0.28 H new ATOM 0 HB2 GLU A 83 131.942 -7.734 8.899 1.00 0.30 H new ATOM 0 HB3 GLU A 83 132.779 -8.932 9.865 1.00 0.30 H new ATOM 0 HG2 GLU A 83 132.286 -7.610 11.942 1.00 0.33 H new ATOM 0 HG3 GLU A 83 131.462 -6.399 10.980 1.00 0.33 H new ATOM 1309 N TRP A 84 134.673 -7.315 7.490 1.00 0.25 N ATOM 1310 CA TRP A 84 135.654 -7.857 6.511 1.00 0.25 C ATOM 1311 C TRP A 84 137.040 -7.323 6.871 1.00 0.27 C ATOM 1312 O TRP A 84 138.023 -8.036 6.835 1.00 0.28 O ATOM 1313 CB TRP A 84 135.286 -7.398 5.096 1.00 0.25 C ATOM 1314 CG TRP A 84 136.256 -7.980 4.113 1.00 0.27 C ATOM 1315 CD1 TRP A 84 136.098 -9.167 3.485 1.00 0.30 C ATOM 1316 CD2 TRP A 84 137.525 -7.436 3.644 1.00 0.30 C ATOM 1317 NE1 TRP A 84 137.183 -9.385 2.656 1.00 0.33 N ATOM 1318 CE2 TRP A 84 138.092 -8.348 2.720 1.00 0.32 C ATOM 1319 CE3 TRP A 84 138.233 -6.254 3.924 1.00 0.31 C ATOM 1320 CZ2 TRP A 84 139.314 -8.096 2.097 1.00 0.36 C ATOM 1321 CZ3 TRP A 84 139.466 -5.998 3.300 1.00 0.35 C ATOM 1322 CH2 TRP A 84 140.004 -6.918 2.389 1.00 0.37 C ATOM 0 H TRP A 84 133.941 -6.724 7.095 1.00 0.25 H new ATOM 0 HA TRP A 84 135.646 -8.946 6.543 1.00 0.25 H new ATOM 0 HB2 TRP A 84 134.272 -7.714 4.852 1.00 0.25 H new ATOM 0 HB3 TRP A 84 135.303 -6.310 5.039 1.00 0.25 H new ATOM 0 HD1 TRP A 84 135.260 -9.837 3.611 1.00 0.30 H new ATOM 0 HE1 TRP A 84 137.298 -10.211 2.069 1.00 0.33 H new ATOM 0 HE3 TRP A 84 137.827 -5.538 4.623 1.00 0.31 H new ATOM 0 HZ2 TRP A 84 139.723 -8.807 1.394 1.00 0.36 H new ATOM 0 HZ3 TRP A 84 140.002 -5.087 3.523 1.00 0.35 H new ATOM 0 HH2 TRP A 84 140.952 -6.715 1.913 1.00 0.37 H new ATOM 1333 N CYS A 85 137.125 -6.061 7.199 1.00 0.27 N ATOM 1334 CA CYS A 85 138.446 -5.466 7.540 1.00 0.30 C ATOM 1335 C CYS A 85 139.045 -6.164 8.761 1.00 0.33 C ATOM 1336 O CYS A 85 140.232 -6.421 8.822 1.00 0.36 O ATOM 1337 CB CYS A 85 138.264 -3.980 7.856 1.00 0.33 C ATOM 1338 SG CYS A 85 137.984 -3.066 6.325 1.00 0.33 S ATOM 0 H CYS A 85 136.335 -5.418 7.245 1.00 0.27 H new ATOM 0 HA CYS A 85 139.118 -5.592 6.691 1.00 0.30 H new ATOM 0 HB2 CYS A 85 137.421 -3.842 8.533 1.00 0.33 H new ATOM 0 HB3 CYS A 85 139.148 -3.595 8.365 1.00 0.33 H new ATOM 0 HG CYS A 85 136.738 -3.182 5.972 1.00 0.33 H new ATOM 1344 N ASP A 86 138.239 -6.467 9.736 1.00 0.34 N ATOM 1345 CA ASP A 86 138.766 -7.139 10.952 1.00 0.39 C ATOM 1346 C ASP A 86 139.398 -8.473 10.559 1.00 0.41 C ATOM 1347 O ASP A 86 140.289 -8.968 11.219 1.00 0.43 O ATOM 1348 CB ASP A 86 137.622 -7.384 11.936 1.00 0.41 C ATOM 1349 CG ASP A 86 137.153 -6.049 12.519 1.00 0.42 C ATOM 1350 OD1 ASP A 86 137.948 -5.123 12.539 1.00 0.55 O ATOM 1351 OD2 ASP A 86 136.008 -5.975 12.932 1.00 0.51 O ATOM 0 H ASP A 86 137.237 -6.278 9.743 1.00 0.34 H new ATOM 0 HA ASP A 86 139.517 -6.505 11.423 1.00 0.39 H new ATOM 0 HB2 ASP A 86 136.795 -7.883 11.431 1.00 0.41 H new ATOM 0 HB3 ASP A 86 137.953 -8.046 12.736 1.00 0.41 H new ATOM 1356 N ALA A 87 138.931 -9.067 9.492 1.00 0.41 N ATOM 1357 CA ALA A 87 139.494 -10.380 9.058 1.00 0.43 C ATOM 1358 C ALA A 87 140.590 -10.181 8.005 1.00 0.43 C ATOM 1359 O ALA A 87 141.528 -10.949 7.935 1.00 0.48 O ATOM 1360 CB ALA A 87 138.373 -11.230 8.458 1.00 0.41 C ATOM 0 H ALA A 87 138.184 -8.700 8.902 1.00 0.41 H new ATOM 0 HA ALA A 87 139.928 -10.878 9.925 1.00 0.43 H new ATOM 0 HB1 ALA A 87 138.776 -12.191 8.138 1.00 0.41 H new ATOM 0 HB2 ALA A 87 137.599 -11.393 9.208 1.00 0.41 H new ATOM 0 HB3 ALA A 87 137.944 -10.713 7.600 1.00 0.41 H new ATOM 1366 N PHE A 88 140.455 -9.189 7.152 1.00 0.40 N ATOM 1367 CA PHE A 88 141.466 -8.981 6.057 1.00 0.44 C ATOM 1368 C PHE A 88 142.314 -7.718 6.262 1.00 0.54 C ATOM 1369 O PHE A 88 143.260 -7.499 5.533 1.00 1.24 O ATOM 1370 CB PHE A 88 140.730 -8.854 4.723 1.00 0.41 C ATOM 1371 CG PHE A 88 140.141 -10.189 4.339 1.00 0.39 C ATOM 1372 CD1 PHE A 88 140.891 -11.087 3.572 1.00 0.44 C ATOM 1373 CD2 PHE A 88 138.847 -10.528 4.749 1.00 0.35 C ATOM 1374 CE1 PHE A 88 140.346 -12.325 3.213 1.00 0.47 C ATOM 1375 CE2 PHE A 88 138.302 -11.765 4.389 1.00 0.40 C ATOM 1376 CZ PHE A 88 139.051 -12.663 3.621 1.00 0.45 C ATOM 0 H PHE A 88 139.690 -8.515 7.165 1.00 0.40 H new ATOM 0 HA PHE A 88 142.138 -9.839 6.070 1.00 0.44 H new ATOM 0 HB2 PHE A 88 139.941 -8.106 4.802 1.00 0.41 H new ATOM 0 HB3 PHE A 88 141.417 -8.512 3.949 1.00 0.41 H new ATOM 0 HD1 PHE A 88 141.890 -10.825 3.257 1.00 0.44 H new ATOM 0 HD2 PHE A 88 138.269 -9.835 5.343 1.00 0.35 H new ATOM 0 HE1 PHE A 88 140.925 -13.019 2.621 1.00 0.47 H new ATOM 0 HE2 PHE A 88 137.303 -12.027 4.704 1.00 0.40 H new ATOM 0 HZ PHE A 88 138.629 -13.618 3.343 1.00 0.45 H new ATOM 1454 N SER B 4 162.891 -2.973 1.640 1.00 0.63 N ATOM 1455 CA SER B 4 163.364 -3.337 3.005 1.00 0.62 C ATOM 1456 C SER B 4 162.537 -4.516 3.521 1.00 0.60 C ATOM 1457 O SER B 4 161.502 -4.850 2.979 1.00 0.58 O ATOM 1458 CB SER B 4 163.190 -2.137 3.938 1.00 0.63 C ATOM 1459 OG SER B 4 163.774 -0.989 3.338 1.00 1.50 O ATOM 0 HA SER B 4 164.417 -3.617 2.972 1.00 0.62 H new ATOM 0 HB2 SER B 4 162.132 -1.962 4.131 1.00 0.63 H new ATOM 0 HB3 SER B 4 163.661 -2.338 4.900 1.00 0.63 H new ATOM 0 HG SER B 4 163.771 -1.092 2.363 1.00 1.50 H new ATOM 1465 N GLN B 5 163.001 -5.156 4.562 1.00 0.63 N ATOM 1466 CA GLN B 5 162.262 -6.326 5.116 1.00 0.64 C ATOM 1467 C GLN B 5 160.824 -5.935 5.446 1.00 0.60 C ATOM 1468 O GLN B 5 159.955 -6.777 5.546 1.00 0.60 O ATOM 1469 CB GLN B 5 162.953 -6.823 6.388 1.00 0.71 C ATOM 1470 CG GLN B 5 164.291 -7.471 6.031 1.00 1.34 C ATOM 1471 CD GLN B 5 164.975 -7.960 7.309 1.00 1.59 C ATOM 1472 OE1 GLN B 5 164.896 -7.317 8.336 1.00 2.09 O ATOM 1473 NE2 GLN B 5 165.647 -9.079 7.290 1.00 2.18 N ATOM 0 H GLN B 5 163.863 -4.917 5.053 1.00 0.63 H new ATOM 0 HA GLN B 5 162.256 -7.119 4.368 1.00 0.64 H new ATOM 0 HB2 GLN B 5 163.113 -5.992 7.075 1.00 0.71 H new ATOM 0 HB3 GLN B 5 162.316 -7.543 6.902 1.00 0.71 H new ATOM 0 HG2 GLN B 5 164.133 -8.305 5.348 1.00 1.34 H new ATOM 0 HG3 GLN B 5 164.929 -6.753 5.515 1.00 1.34 H new ATOM 0 HE21 GLN B 5 165.714 -9.619 6.427 1.00 2.18 H new ATOM 0 HE22 GLN B 5 166.106 -9.413 8.138 1.00 2.18 H new ATOM 1482 N LYS B 6 160.553 -4.667 5.616 1.00 0.59 N ATOM 1483 CA LYS B 6 159.163 -4.245 5.936 1.00 0.57 C ATOM 1484 C LYS B 6 158.236 -4.654 4.789 1.00 0.51 C ATOM 1485 O LYS B 6 157.102 -5.032 5.005 1.00 0.50 O ATOM 1486 CB LYS B 6 159.110 -2.725 6.117 1.00 0.58 C ATOM 1487 CG LYS B 6 159.836 -2.335 7.408 1.00 0.66 C ATOM 1488 CD LYS B 6 159.781 -0.817 7.585 1.00 0.80 C ATOM 1489 CE LYS B 6 160.504 -0.422 8.876 1.00 1.25 C ATOM 1490 NZ LYS B 6 159.654 -0.767 10.050 1.00 2.01 N ATOM 0 H LYS B 6 161.233 -3.910 5.547 1.00 0.59 H new ATOM 0 HA LYS B 6 158.842 -4.727 6.860 1.00 0.57 H new ATOM 0 HB2 LYS B 6 159.574 -2.231 5.264 1.00 0.58 H new ATOM 0 HB3 LYS B 6 158.074 -2.389 6.155 1.00 0.58 H new ATOM 0 HG2 LYS B 6 159.372 -2.828 8.262 1.00 0.66 H new ATOM 0 HG3 LYS B 6 160.873 -2.670 7.370 1.00 0.66 H new ATOM 0 HD2 LYS B 6 160.246 -0.324 6.731 1.00 0.80 H new ATOM 0 HD3 LYS B 6 158.744 -0.483 7.620 1.00 0.80 H new ATOM 0 HE2 LYS B 6 161.461 -0.940 8.942 1.00 1.25 H new ATOM 0 HE3 LYS B 6 160.720 0.646 8.872 1.00 1.25 H new ATOM 0 HZ1 LYS B 6 160.064 -0.349 10.910 1.00 2.01 H new ATOM 0 HZ2 LYS B 6 158.695 -0.392 9.906 1.00 2.01 H new ATOM 0 HZ3 LYS B 6 159.610 -1.801 10.155 1.00 2.01 H new ATOM 1504 N HIS B 7 158.698 -4.569 3.571 1.00 0.49 N ATOM 1505 CA HIS B 7 157.825 -4.940 2.420 1.00 0.45 C ATOM 1506 C HIS B 7 157.379 -6.400 2.526 1.00 0.45 C ATOM 1507 O HIS B 7 156.209 -6.709 2.416 1.00 0.43 O ATOM 1508 CB HIS B 7 158.600 -4.753 1.117 1.00 0.45 C ATOM 1509 CG HIS B 7 157.728 -5.131 -0.049 1.00 0.42 C ATOM 1510 ND1 HIS B 7 157.182 -4.187 -0.910 1.00 0.39 N ATOM 1511 CD2 HIS B 7 157.303 -6.351 -0.516 1.00 0.45 C ATOM 1512 CE1 HIS B 7 156.470 -4.851 -1.840 1.00 0.38 C ATOM 1513 NE2 HIS B 7 156.512 -6.169 -1.642 1.00 0.42 N ATOM 0 H HIS B 7 159.638 -4.260 3.323 1.00 0.49 H new ATOM 0 HA HIS B 7 156.944 -4.299 2.433 1.00 0.45 H new ATOM 0 HB2 HIS B 7 158.924 -3.717 1.021 1.00 0.45 H new ATOM 0 HB3 HIS B 7 159.499 -5.369 1.126 1.00 0.45 H new ATOM 0 HD1 HIS B 7 157.299 -3.176 -0.849 1.00 0.39 H new ATOM 0 HD2 HIS B 7 157.547 -7.306 -0.074 1.00 0.45 H new ATOM 0 HE1 HIS B 7 155.932 -4.375 -2.646 1.00 0.38 H new ATOM 1521 N ARG B 8 158.303 -7.306 2.738 1.00 0.48 N ATOM 1522 CA ARG B 8 157.939 -8.746 2.852 1.00 0.50 C ATOM 1523 C ARG B 8 157.175 -8.985 4.154 1.00 0.51 C ATOM 1524 O ARG B 8 156.284 -9.808 4.226 1.00 0.51 O ATOM 1525 CB ARG B 8 159.216 -9.594 2.845 1.00 0.55 C ATOM 1526 CG ARG B 8 159.924 -9.472 1.484 1.00 0.57 C ATOM 1527 CD ARG B 8 159.108 -10.175 0.383 1.00 1.00 C ATOM 1528 NE ARG B 8 160.026 -10.649 -0.705 1.00 1.70 N ATOM 1529 CZ ARG B 8 160.905 -9.854 -1.258 1.00 2.29 C ATOM 1530 NH1 ARG B 8 160.898 -8.573 -1.008 1.00 2.43 N ATOM 1531 NH2 ARG B 8 161.762 -10.337 -2.114 1.00 3.23 N ATOM 0 H ARG B 8 159.298 -7.105 2.837 1.00 0.48 H new ATOM 0 HA ARG B 8 157.308 -9.027 2.009 1.00 0.50 H new ATOM 0 HB2 ARG B 8 159.884 -9.266 3.642 1.00 0.55 H new ATOM 0 HB3 ARG B 8 158.970 -10.637 3.044 1.00 0.55 H new ATOM 0 HG2 ARG B 8 160.057 -8.420 1.230 1.00 0.57 H new ATOM 0 HG3 ARG B 8 160.919 -9.913 1.545 1.00 0.57 H new ATOM 0 HD2 ARG B 8 158.562 -11.019 0.805 1.00 1.00 H new ATOM 0 HD3 ARG B 8 158.367 -9.489 -0.027 1.00 1.00 H new ATOM 0 HE ARG B 8 159.963 -11.617 -1.022 1.00 1.70 H new ATOM 0 HH11 ARG B 8 160.201 -8.181 -0.375 1.00 2.43 H new ATOM 0 HH12 ARG B 8 161.589 -7.964 -1.446 1.00 2.43 H new ATOM 0 HH21 ARG B 8 161.744 -11.329 -2.349 1.00 3.23 H new ATOM 0 HH22 ARG B 8 162.450 -9.722 -2.549 1.00 3.23 H new ATOM 1545 N ASP B 9 157.522 -8.267 5.183 1.00 0.52 N ATOM 1546 CA ASP B 9 156.824 -8.438 6.489 1.00 0.54 C ATOM 1547 C ASP B 9 155.412 -7.854 6.407 1.00 0.49 C ATOM 1548 O ASP B 9 154.477 -8.379 6.978 1.00 0.48 O ATOM 1549 CB ASP B 9 157.606 -7.717 7.586 1.00 0.61 C ATOM 1550 CG ASP B 9 158.916 -8.459 7.857 1.00 0.68 C ATOM 1551 OD1 ASP B 9 158.994 -9.627 7.513 1.00 0.67 O ATOM 1552 OD2 ASP B 9 159.819 -7.845 8.399 1.00 0.76 O ATOM 0 H ASP B 9 158.262 -7.565 5.177 1.00 0.52 H new ATOM 0 HA ASP B 9 156.761 -9.501 6.722 1.00 0.54 H new ATOM 0 HB2 ASP B 9 157.814 -6.691 7.283 1.00 0.61 H new ATOM 0 HB3 ASP B 9 157.010 -7.666 8.497 1.00 0.61 H new ATOM 1557 N PHE B 10 155.258 -6.759 5.713 1.00 0.46 N ATOM 1558 CA PHE B 10 153.916 -6.118 5.606 1.00 0.43 C ATOM 1559 C PHE B 10 152.971 -7.019 4.807 1.00 0.37 C ATOM 1560 O PHE B 10 151.822 -7.196 5.159 1.00 0.36 O ATOM 1561 CB PHE B 10 154.074 -4.772 4.894 1.00 0.45 C ATOM 1562 CG PHE B 10 152.773 -4.008 4.931 1.00 0.43 C ATOM 1563 CD1 PHE B 10 152.483 -3.180 6.022 1.00 0.44 C ATOM 1564 CD2 PHE B 10 151.866 -4.112 3.869 1.00 0.43 C ATOM 1565 CE1 PHE B 10 151.285 -2.455 6.051 1.00 0.44 C ATOM 1566 CE2 PHE B 10 150.666 -3.389 3.901 1.00 0.43 C ATOM 1567 CZ PHE B 10 150.378 -2.560 4.992 1.00 0.43 C ATOM 0 H PHE B 10 156.007 -6.279 5.214 1.00 0.46 H new ATOM 0 HA PHE B 10 153.497 -5.967 6.601 1.00 0.43 H new ATOM 0 HB2 PHE B 10 154.861 -4.189 5.373 1.00 0.45 H new ATOM 0 HB3 PHE B 10 154.381 -4.933 3.860 1.00 0.45 H new ATOM 0 HD1 PHE B 10 153.183 -3.100 6.841 1.00 0.44 H new ATOM 0 HD2 PHE B 10 152.091 -4.749 3.026 1.00 0.43 H new ATOM 0 HE1 PHE B 10 151.062 -1.815 6.892 1.00 0.44 H new ATOM 0 HE2 PHE B 10 149.964 -3.471 3.085 1.00 0.43 H new ATOM 0 HZ PHE B 10 149.454 -2.001 5.016 1.00 0.43 H new ATOM 1577 N VAL B 11 153.447 -7.591 3.737 1.00 0.37 N ATOM 1578 CA VAL B 11 152.581 -8.482 2.916 1.00 0.35 C ATOM 1579 C VAL B 11 152.567 -9.884 3.531 1.00 0.36 C ATOM 1580 O VAL B 11 152.178 -10.844 2.896 1.00 0.37 O ATOM 1581 CB VAL B 11 153.137 -8.550 1.492 1.00 0.37 C ATOM 1582 CG1 VAL B 11 153.250 -7.132 0.922 1.00 0.44 C ATOM 1583 CG2 VAL B 11 154.523 -9.207 1.524 1.00 0.40 C ATOM 0 H VAL B 11 154.401 -7.480 3.395 1.00 0.37 H new ATOM 0 HA VAL B 11 151.565 -8.089 2.892 1.00 0.35 H new ATOM 0 HB VAL B 11 152.470 -9.139 0.862 1.00 0.37 H new ATOM 0 HG11 VAL B 11 153.646 -7.178 -0.092 1.00 0.44 H new ATOM 0 HG12 VAL B 11 152.264 -6.667 0.906 1.00 0.44 H new ATOM 0 HG13 VAL B 11 153.920 -6.541 1.546 1.00 0.44 H new ATOM 0 HG21 VAL B 11 154.925 -9.258 0.512 1.00 0.40 H new ATOM 0 HG22 VAL B 11 155.191 -8.616 2.150 1.00 0.40 H new ATOM 0 HG23 VAL B 11 154.439 -10.214 1.933 1.00 0.40 H new ATOM 1593 N ALA B 12 153.001 -10.005 4.765 1.00 0.41 N ATOM 1594 CA ALA B 12 153.036 -11.342 5.443 1.00 0.47 C ATOM 1595 C ALA B 12 152.153 -11.328 6.695 1.00 0.45 C ATOM 1596 O ALA B 12 151.914 -12.354 7.301 1.00 0.48 O ATOM 1597 CB ALA B 12 154.476 -11.654 5.855 1.00 0.53 C ATOM 0 H ALA B 12 153.335 -9.228 5.336 1.00 0.41 H new ATOM 0 HA ALA B 12 152.665 -12.100 4.753 1.00 0.47 H new ATOM 0 HB1 ALA B 12 154.511 -12.625 6.349 1.00 0.53 H new ATOM 0 HB2 ALA B 12 155.111 -11.674 4.970 1.00 0.53 H new ATOM 0 HB3 ALA B 12 154.833 -10.885 6.540 1.00 0.53 H new ATOM 1603 N GLU B 13 151.656 -10.185 7.089 1.00 0.42 N ATOM 1604 CA GLU B 13 150.781 -10.134 8.301 1.00 0.43 C ATOM 1605 C GLU B 13 149.839 -8.920 8.205 1.00 0.39 C ATOM 1606 O GLU B 13 150.187 -7.922 7.605 1.00 0.36 O ATOM 1607 CB GLU B 13 151.658 -10.014 9.554 1.00 0.46 C ATOM 1608 CG GLU B 13 152.320 -8.632 9.598 1.00 0.48 C ATOM 1609 CD GLU B 13 153.505 -8.662 10.568 1.00 0.62 C ATOM 1610 OE1 GLU B 13 153.295 -8.386 11.738 1.00 1.27 O ATOM 1611 OE2 GLU B 13 154.601 -8.961 10.123 1.00 1.04 O ATOM 0 H GLU B 13 151.816 -9.289 6.628 1.00 0.42 H new ATOM 0 HA GLU B 13 150.185 -11.045 8.362 1.00 0.43 H new ATOM 0 HB2 GLU B 13 151.053 -10.165 10.448 1.00 0.46 H new ATOM 0 HB3 GLU B 13 152.421 -10.792 9.550 1.00 0.46 H new ATOM 0 HG2 GLU B 13 152.659 -8.348 8.602 1.00 0.48 H new ATOM 0 HG3 GLU B 13 151.597 -7.881 9.915 1.00 0.48 H new ATOM 1618 N PRO B 14 148.662 -8.981 8.796 1.00 0.42 N ATOM 1619 CA PRO B 14 147.704 -7.838 8.761 1.00 0.40 C ATOM 1620 C PRO B 14 148.407 -6.492 8.989 1.00 0.36 C ATOM 1621 O PRO B 14 149.510 -6.437 9.495 1.00 0.36 O ATOM 1622 CB PRO B 14 146.737 -8.150 9.908 1.00 0.45 C ATOM 1623 CG PRO B 14 146.713 -9.643 9.989 1.00 0.49 C ATOM 1624 CD PRO B 14 148.107 -10.124 9.553 1.00 0.48 C ATOM 0 HA PRO B 14 147.211 -7.740 7.794 1.00 0.40 H new ATOM 0 HB2 PRO B 14 147.078 -7.708 10.844 1.00 0.45 H new ATOM 0 HB3 PRO B 14 145.744 -7.748 9.709 1.00 0.45 H new ATOM 0 HG2 PRO B 14 146.488 -9.973 11.003 1.00 0.49 H new ATOM 0 HG3 PRO B 14 145.940 -10.055 9.340 1.00 0.49 H new ATOM 0 HD2 PRO B 14 148.730 -10.373 10.412 1.00 0.48 H new ATOM 0 HD3 PRO B 14 148.044 -11.019 8.934 1.00 0.48 H new ATOM 1632 N MET B 15 147.777 -5.411 8.619 1.00 0.35 N ATOM 1633 CA MET B 15 148.402 -4.066 8.811 1.00 0.34 C ATOM 1634 C MET B 15 147.891 -3.438 10.112 1.00 0.35 C ATOM 1635 O MET B 15 148.533 -2.593 10.702 1.00 0.37 O ATOM 1636 CB MET B 15 148.014 -3.169 7.635 1.00 0.36 C ATOM 1637 CG MET B 15 146.530 -3.371 7.310 1.00 0.40 C ATOM 1638 SD MET B 15 145.917 -1.938 6.392 1.00 0.56 S ATOM 1639 CE MET B 15 146.470 -2.462 4.754 1.00 0.42 C ATOM 0 H MET B 15 146.852 -5.399 8.190 1.00 0.35 H new ATOM 0 HA MET B 15 149.486 -4.171 8.863 1.00 0.34 H new ATOM 0 HB2 MET B 15 148.205 -2.125 7.881 1.00 0.36 H new ATOM 0 HB3 MET B 15 148.624 -3.408 6.764 1.00 0.36 H new ATOM 0 HG2 MET B 15 146.395 -4.279 6.722 1.00 0.40 H new ATOM 0 HG3 MET B 15 145.959 -3.499 8.230 1.00 0.40 H new ATOM 0 HE1 MET B 15 146.775 -1.589 4.177 1.00 0.42 H new ATOM 0 HE2 MET B 15 147.315 -3.143 4.856 1.00 0.42 H new ATOM 0 HE3 MET B 15 145.654 -2.970 4.240 1.00 0.42 H new ATOM 1649 N GLY B 16 146.734 -3.848 10.553 1.00 0.36 N ATOM 1650 CA GLY B 16 146.165 -3.276 11.809 1.00 0.39 C ATOM 1651 C GLY B 16 146.111 -1.749 11.693 1.00 0.38 C ATOM 1652 O GLY B 16 145.722 -1.212 10.676 1.00 0.37 O ATOM 0 H GLY B 16 146.156 -4.555 10.098 1.00 0.36 H new ATOM 0 HA2 GLY B 16 145.165 -3.674 11.983 1.00 0.39 H new ATOM 0 HA3 GLY B 16 146.777 -3.566 12.663 1.00 0.39 H new ATOM 1656 N GLU B 17 146.488 -1.047 12.737 1.00 0.40 N ATOM 1657 CA GLU B 17 146.453 0.453 12.711 1.00 0.41 C ATOM 1658 C GLU B 17 147.877 1.010 12.709 1.00 0.38 C ATOM 1659 O GLU B 17 148.148 2.036 13.299 1.00 0.39 O ATOM 1660 CB GLU B 17 145.720 0.974 13.950 1.00 0.46 C ATOM 1661 CG GLU B 17 144.246 0.573 13.883 1.00 0.50 C ATOM 1662 CD GLU B 17 143.521 1.097 15.124 1.00 0.55 C ATOM 1663 OE1 GLU B 17 144.196 1.565 16.026 1.00 0.73 O ATOM 1664 OE2 GLU B 17 142.304 1.021 15.151 1.00 0.84 O ATOM 0 H GLU B 17 146.821 -1.451 13.612 1.00 0.40 H new ATOM 0 HA GLU B 17 145.933 0.775 11.809 1.00 0.41 H new ATOM 0 HB2 GLU B 17 146.177 0.568 14.852 1.00 0.46 H new ATOM 0 HB3 GLU B 17 145.810 2.059 14.008 1.00 0.46 H new ATOM 0 HG2 GLU B 17 143.788 0.980 12.982 1.00 0.50 H new ATOM 0 HG3 GLU B 17 144.155 -0.512 13.826 1.00 0.50 H new ATOM 1671 N LYS B 18 148.795 0.342 12.069 1.00 0.36 N ATOM 1672 CA LYS B 18 150.199 0.842 12.054 1.00 0.35 C ATOM 1673 C LYS B 18 150.225 2.240 11.413 1.00 0.31 C ATOM 1674 O LYS B 18 149.405 2.548 10.570 1.00 0.30 O ATOM 1675 CB LYS B 18 151.061 -0.118 11.223 1.00 0.35 C ATOM 1676 CG LYS B 18 151.222 -1.463 11.961 1.00 0.45 C ATOM 1677 CD LYS B 18 152.408 -1.404 12.943 1.00 1.16 C ATOM 1678 CE LYS B 18 153.718 -1.729 12.213 1.00 1.44 C ATOM 1679 NZ LYS B 18 154.872 -1.319 13.062 1.00 2.02 N ATOM 0 H LYS B 18 148.636 -0.526 11.557 1.00 0.36 H new ATOM 0 HA LYS B 18 150.589 0.898 13.070 1.00 0.35 H new ATOM 0 HB2 LYS B 18 150.600 -0.282 10.249 1.00 0.35 H new ATOM 0 HB3 LYS B 18 152.040 0.325 11.042 1.00 0.35 H new ATOM 0 HG2 LYS B 18 150.306 -1.699 12.502 1.00 0.45 H new ATOM 0 HG3 LYS B 18 151.380 -2.264 11.239 1.00 0.45 H new ATOM 0 HD2 LYS B 18 152.469 -0.412 13.391 1.00 1.16 H new ATOM 0 HD3 LYS B 18 152.251 -2.112 13.757 1.00 1.16 H new ATOM 0 HE2 LYS B 18 153.772 -2.796 11.997 1.00 1.44 H new ATOM 0 HE3 LYS B 18 153.753 -1.208 11.256 1.00 1.44 H new ATOM 0 HZ1 LYS B 18 155.761 -1.538 12.569 1.00 2.02 H new ATOM 0 HZ2 LYS B 18 154.822 -0.297 13.246 1.00 2.02 H new ATOM 0 HZ3 LYS B 18 154.840 -1.835 13.964 1.00 2.02 H new ATOM 1693 N PRO B 19 151.146 3.091 11.812 1.00 0.31 N ATOM 1694 CA PRO B 19 151.244 4.480 11.262 1.00 0.29 C ATOM 1695 C PRO B 19 151.475 4.492 9.747 1.00 0.25 C ATOM 1696 O PRO B 19 151.961 3.538 9.172 1.00 0.23 O ATOM 1697 CB PRO B 19 152.439 5.104 12.019 1.00 0.32 C ATOM 1698 CG PRO B 19 153.212 3.942 12.563 1.00 0.32 C ATOM 1699 CD PRO B 19 152.190 2.835 12.821 1.00 0.34 C ATOM 0 HA PRO B 19 150.318 5.037 11.404 1.00 0.29 H new ATOM 0 HB2 PRO B 19 153.054 5.709 11.353 1.00 0.32 H new ATOM 0 HB3 PRO B 19 152.098 5.760 12.820 1.00 0.32 H new ATOM 0 HG2 PRO B 19 153.972 3.613 11.854 1.00 0.32 H new ATOM 0 HG3 PRO B 19 153.731 4.215 13.482 1.00 0.32 H new ATOM 0 HD2 PRO B 19 152.631 1.845 12.701 1.00 0.34 H new ATOM 0 HD3 PRO B 19 151.791 2.885 13.834 1.00 0.34 H new ATOM 1707 N VAL B 20 151.114 5.568 9.098 1.00 0.24 N ATOM 1708 CA VAL B 20 151.296 5.648 7.622 1.00 0.22 C ATOM 1709 C VAL B 20 152.766 5.444 7.258 1.00 0.21 C ATOM 1710 O VAL B 20 153.103 4.686 6.370 1.00 0.22 O ATOM 1711 CB VAL B 20 150.817 7.015 7.118 1.00 0.26 C ATOM 1712 CG1 VAL B 20 151.644 8.133 7.760 1.00 0.32 C ATOM 1713 CG2 VAL B 20 150.976 7.073 5.597 1.00 0.28 C ATOM 0 H VAL B 20 150.701 6.395 9.529 1.00 0.24 H new ATOM 0 HA VAL B 20 150.707 4.862 7.149 1.00 0.22 H new ATOM 0 HB VAL B 20 149.770 7.150 7.388 1.00 0.26 H new ATOM 0 HG11 VAL B 20 151.295 9.099 7.395 1.00 0.32 H new ATOM 0 HG12 VAL B 20 151.532 8.092 8.843 1.00 0.32 H new ATOM 0 HG13 VAL B 20 152.694 8.004 7.499 1.00 0.32 H new ATOM 0 HG21 VAL B 20 150.637 8.043 5.232 1.00 0.28 H new ATOM 0 HG22 VAL B 20 152.025 6.933 5.335 1.00 0.28 H new ATOM 0 HG23 VAL B 20 150.379 6.284 5.138 1.00 0.28 H new ATOM 1723 N GLY B 21 153.641 6.138 7.934 1.00 0.22 N ATOM 1724 CA GLY B 21 155.094 6.020 7.631 1.00 0.21 C ATOM 1725 C GLY B 21 155.543 4.560 7.719 1.00 0.19 C ATOM 1726 O GLY B 21 156.691 4.247 7.472 1.00 0.19 O ATOM 0 H GLY B 21 153.409 6.785 8.687 1.00 0.22 H new ATOM 0 HA2 GLY B 21 155.296 6.409 6.633 1.00 0.21 H new ATOM 0 HA3 GLY B 21 155.668 6.626 8.332 1.00 0.21 H new ATOM 1730 N SER B 22 154.662 3.655 8.052 1.00 0.20 N ATOM 1731 CA SER B 22 155.064 2.223 8.132 1.00 0.20 C ATOM 1732 C SER B 22 155.056 1.622 6.730 1.00 0.19 C ATOM 1733 O SER B 22 155.732 0.652 6.448 1.00 0.20 O ATOM 1734 CB SER B 22 154.060 1.472 9.001 1.00 0.23 C ATOM 1735 OG SER B 22 152.817 1.382 8.314 1.00 1.24 O ATOM 0 H SER B 22 153.684 3.846 8.271 1.00 0.20 H new ATOM 0 HA SER B 22 156.062 2.143 8.563 1.00 0.20 H new ATOM 0 HB2 SER B 22 154.435 0.474 9.230 1.00 0.23 H new ATOM 0 HB3 SER B 22 153.927 1.989 9.952 1.00 0.23 H new ATOM 0 HG SER B 22 152.455 2.282 8.174 1.00 1.24 H new ATOM 1741 N LEU B 23 154.284 2.193 5.851 1.00 0.18 N ATOM 1742 CA LEU B 23 154.210 1.664 4.460 1.00 0.18 C ATOM 1743 C LEU B 23 155.570 1.799 3.778 1.00 0.18 C ATOM 1744 O LEU B 23 156.252 2.797 3.907 1.00 0.18 O ATOM 1745 CB LEU B 23 153.177 2.461 3.663 1.00 0.19 C ATOM 1746 CG LEU B 23 151.770 2.209 4.218 1.00 0.21 C ATOM 1747 CD1 LEU B 23 150.795 3.192 3.565 1.00 0.23 C ATOM 1748 CD2 LEU B 23 151.326 0.760 3.925 1.00 0.24 C ATOM 0 H LEU B 23 153.698 3.007 6.036 1.00 0.18 H new ATOM 0 HA LEU B 23 153.922 0.613 4.497 1.00 0.18 H new ATOM 0 HB2 LEU B 23 153.410 3.525 3.713 1.00 0.19 H new ATOM 0 HB3 LEU B 23 153.218 2.175 2.612 1.00 0.19 H new ATOM 0 HG LEU B 23 151.778 2.355 5.298 1.00 0.21 H new ATOM 0 HD11 LEU B 23 149.791 3.021 3.953 1.00 0.23 H new ATOM 0 HD12 LEU B 23 151.102 4.213 3.791 1.00 0.23 H new ATOM 0 HD13 LEU B 23 150.797 3.043 2.485 1.00 0.23 H new ATOM 0 HD21 LEU B 23 150.325 0.598 4.326 1.00 0.24 H new ATOM 0 HD22 LEU B 23 151.317 0.593 2.848 1.00 0.24 H new ATOM 0 HD23 LEU B 23 152.022 0.064 4.394 1.00 0.24 H new ATOM 1760 N ALA B 24 155.958 0.799 3.045 1.00 0.18 N ATOM 1761 CA ALA B 24 157.266 0.864 2.340 1.00 0.19 C ATOM 1762 C ALA B 24 157.228 1.978 1.289 1.00 0.19 C ATOM 1763 O ALA B 24 156.280 2.115 0.541 1.00 0.20 O ATOM 1764 CB ALA B 24 157.543 -0.476 1.654 1.00 0.21 C ATOM 0 H ALA B 24 155.428 -0.061 2.902 1.00 0.18 H new ATOM 0 HA ALA B 24 158.056 1.074 3.061 1.00 0.19 H new ATOM 0 HB1 ALA B 24 158.502 -0.429 1.137 1.00 0.21 H new ATOM 0 HB2 ALA B 24 157.573 -1.268 2.402 1.00 0.21 H new ATOM 0 HB3 ALA B 24 156.752 -0.686 0.934 1.00 0.21 H new ATOM 1770 N GLY B 25 158.263 2.776 1.240 1.00 0.20 N ATOM 1771 CA GLY B 25 158.318 3.898 0.249 1.00 0.21 C ATOM 1772 C GLY B 25 157.975 5.220 0.944 1.00 0.20 C ATOM 1773 O GLY B 25 158.317 6.283 0.466 1.00 0.22 O ATOM 0 H GLY B 25 159.079 2.700 1.847 1.00 0.20 H new ATOM 0 HA2 GLY B 25 159.312 3.956 -0.194 1.00 0.21 H new ATOM 0 HA3 GLY B 25 157.617 3.712 -0.565 1.00 0.21 H new ATOM 1777 N ILE B 26 157.312 5.165 2.073 1.00 0.20 N ATOM 1778 CA ILE B 26 156.959 6.425 2.805 1.00 0.21 C ATOM 1779 C ILE B 26 157.961 6.619 3.942 1.00 0.23 C ATOM 1780 O ILE B 26 158.052 5.799 4.835 1.00 0.25 O ATOM 1781 CB ILE B 26 155.549 6.302 3.393 1.00 0.22 C ATOM 1782 CG1 ILE B 26 154.546 5.939 2.287 1.00 0.22 C ATOM 1783 CG2 ILE B 26 155.148 7.633 4.034 1.00 0.24 C ATOM 1784 CD1 ILE B 26 154.657 6.919 1.113 1.00 0.24 C ATOM 0 H ILE B 26 156.999 4.303 2.521 1.00 0.20 H new ATOM 0 HA ILE B 26 156.990 7.273 2.121 1.00 0.21 H new ATOM 0 HB ILE B 26 155.543 5.516 4.148 1.00 0.22 H new ATOM 0 HG12 ILE B 26 154.733 4.923 1.938 1.00 0.22 H new ATOM 0 HG13 ILE B 26 153.533 5.957 2.688 1.00 0.22 H new ATOM 0 HG21 ILE B 26 154.145 7.548 4.453 1.00 0.24 H new ATOM 0 HG22 ILE B 26 155.853 7.882 4.827 1.00 0.24 H new ATOM 0 HG23 ILE B 26 155.160 8.419 3.279 1.00 0.24 H new ATOM 0 HD11 ILE B 26 153.938 6.644 0.341 1.00 0.24 H new ATOM 0 HD12 ILE B 26 154.446 7.930 1.462 1.00 0.24 H new ATOM 0 HD13 ILE B 26 155.665 6.880 0.701 1.00 0.24 H new ATOM 1796 N GLY B 27 158.715 7.691 3.937 1.00 0.24 N ATOM 1797 CA GLY B 27 159.702 7.921 5.035 1.00 0.27 C ATOM 1798 C GLY B 27 159.093 8.856 6.086 1.00 0.28 C ATOM 1799 O GLY B 27 157.965 9.291 5.966 1.00 0.27 O ATOM 0 H GLY B 27 158.689 8.416 3.220 1.00 0.24 H new ATOM 0 HA2 GLY B 27 159.978 6.972 5.494 1.00 0.27 H new ATOM 0 HA3 GLY B 27 160.616 8.357 4.631 1.00 0.27 H new ATOM 1803 N GLU B 28 159.830 9.160 7.120 1.00 0.30 N ATOM 1804 CA GLU B 28 159.289 10.056 8.184 1.00 0.32 C ATOM 1805 C GLU B 28 158.882 11.407 7.589 1.00 0.32 C ATOM 1806 O GLU B 28 157.875 11.976 7.962 1.00 0.35 O ATOM 1807 CB GLU B 28 160.361 10.280 9.255 1.00 0.36 C ATOM 1808 CG GLU B 28 160.554 9.000 10.070 1.00 0.39 C ATOM 1809 CD GLU B 28 159.319 8.760 10.941 1.00 1.27 C ATOM 1810 OE1 GLU B 28 158.750 9.733 11.407 1.00 2.00 O ATOM 1811 OE2 GLU B 28 158.963 7.609 11.126 1.00 1.64 O ATOM 0 H GLU B 28 160.782 8.828 7.275 1.00 0.30 H new ATOM 0 HA GLU B 28 158.412 9.584 8.627 1.00 0.32 H new ATOM 0 HB2 GLU B 28 161.302 10.569 8.786 1.00 0.36 H new ATOM 0 HB3 GLU B 28 160.067 11.099 9.911 1.00 0.36 H new ATOM 0 HG2 GLU B 28 160.713 8.152 9.404 1.00 0.39 H new ATOM 0 HG3 GLU B 28 161.443 9.085 10.695 1.00 0.39 H new ATOM 1818 N VAL B 29 159.651 11.937 6.678 1.00 0.31 N ATOM 1819 CA VAL B 29 159.288 13.257 6.087 1.00 0.33 C ATOM 1820 C VAL B 29 158.006 13.111 5.267 1.00 0.33 C ATOM 1821 O VAL B 29 157.090 13.902 5.377 1.00 0.35 O ATOM 1822 CB VAL B 29 160.427 13.742 5.183 1.00 0.34 C ATOM 1823 CG1 VAL B 29 159.982 14.986 4.407 1.00 0.38 C ATOM 1824 CG2 VAL B 29 161.646 14.087 6.040 1.00 0.35 C ATOM 0 H VAL B 29 160.509 11.518 6.319 1.00 0.31 H new ATOM 0 HA VAL B 29 159.126 13.983 6.884 1.00 0.33 H new ATOM 0 HB VAL B 29 160.686 12.952 4.478 1.00 0.34 H new ATOM 0 HG11 VAL B 29 160.796 15.326 3.766 1.00 0.38 H new ATOM 0 HG12 VAL B 29 159.115 14.741 3.793 1.00 0.38 H new ATOM 0 HG13 VAL B 29 159.718 15.777 5.109 1.00 0.38 H new ATOM 0 HG21 VAL B 29 162.456 14.432 5.398 1.00 0.35 H new ATOM 0 HG22 VAL B 29 161.383 14.874 6.747 1.00 0.35 H new ATOM 0 HG23 VAL B 29 161.969 13.201 6.587 1.00 0.35 H new ATOM 1834 N LEU B 30 157.939 12.108 4.439 1.00 0.32 N ATOM 1835 CA LEU B 30 156.727 11.903 3.600 1.00 0.33 C ATOM 1836 C LEU B 30 155.541 11.552 4.494 1.00 0.32 C ATOM 1837 O LEU B 30 154.428 11.982 4.266 1.00 0.33 O ATOM 1838 CB LEU B 30 156.977 10.758 2.617 1.00 0.33 C ATOM 1839 CG LEU B 30 158.169 11.091 1.712 1.00 0.35 C ATOM 1840 CD1 LEU B 30 158.488 9.874 0.841 1.00 0.36 C ATOM 1841 CD2 LEU B 30 157.838 12.297 0.813 1.00 0.40 C ATOM 0 H LEU B 30 158.677 11.416 4.306 1.00 0.32 H new ATOM 0 HA LEU B 30 156.509 12.818 3.049 1.00 0.33 H new ATOM 0 HB2 LEU B 30 157.172 9.835 3.164 1.00 0.33 H new ATOM 0 HB3 LEU B 30 156.087 10.588 2.011 1.00 0.33 H new ATOM 0 HG LEU B 30 159.030 11.343 2.330 1.00 0.35 H new ATOM 0 HD11 LEU B 30 159.335 10.102 0.194 1.00 0.36 H new ATOM 0 HD12 LEU B 30 158.736 9.025 1.478 1.00 0.36 H new ATOM 0 HD13 LEU B 30 157.620 9.627 0.230 1.00 0.36 H new ATOM 0 HD21 LEU B 30 158.694 12.522 0.176 1.00 0.40 H new ATOM 0 HD22 LEU B 30 156.975 12.061 0.191 1.00 0.40 H new ATOM 0 HD23 LEU B 30 157.611 13.163 1.435 1.00 0.40 H new ATOM 1853 N GLY B 31 155.773 10.771 5.510 1.00 0.33 N ATOM 1854 CA GLY B 31 154.660 10.386 6.421 1.00 0.34 C ATOM 1855 C GLY B 31 154.059 11.645 7.047 1.00 0.35 C ATOM 1856 O GLY B 31 152.859 11.760 7.202 1.00 0.36 O ATOM 0 H GLY B 31 156.685 10.382 5.750 1.00 0.33 H new ATOM 0 HA2 GLY B 31 153.895 9.840 5.869 1.00 0.34 H new ATOM 0 HA3 GLY B 31 155.027 9.719 7.200 1.00 0.34 H new ATOM 1860 N LYS B 32 154.883 12.589 7.412 1.00 0.35 N ATOM 1861 CA LYS B 32 154.358 13.839 8.032 1.00 0.37 C ATOM 1862 C LYS B 32 153.492 14.602 7.026 1.00 0.37 C ATOM 1863 O LYS B 32 152.471 15.158 7.377 1.00 0.38 O ATOM 1864 CB LYS B 32 155.526 14.719 8.476 1.00 0.40 C ATOM 1865 CG LYS B 32 154.989 15.929 9.243 1.00 1.18 C ATOM 1866 CD LYS B 32 156.156 16.810 9.689 1.00 1.36 C ATOM 1867 CE LYS B 32 155.618 18.003 10.483 1.00 2.07 C ATOM 1868 NZ LYS B 32 154.829 17.508 11.647 1.00 2.75 N ATOM 0 H LYS B 32 155.897 12.549 7.308 1.00 0.35 H new ATOM 0 HA LYS B 32 153.749 13.578 8.897 1.00 0.37 H new ATOM 0 HB2 LYS B 32 156.207 14.148 9.107 1.00 0.40 H new ATOM 0 HB3 LYS B 32 156.097 15.049 7.608 1.00 0.40 H new ATOM 0 HG2 LYS B 32 154.309 16.501 8.611 1.00 1.18 H new ATOM 0 HG3 LYS B 32 154.417 15.599 10.110 1.00 1.18 H new ATOM 0 HD2 LYS B 32 156.848 16.233 10.303 1.00 1.36 H new ATOM 0 HD3 LYS B 32 156.715 17.159 8.821 1.00 1.36 H new ATOM 0 HE2 LYS B 32 156.443 18.626 10.828 1.00 2.07 H new ATOM 0 HE3 LYS B 32 154.992 18.627 9.844 1.00 2.07 H new ATOM 0 HZ1 LYS B 32 154.780 18.250 12.374 1.00 2.75 H new ATOM 0 HZ2 LYS B 32 153.867 17.264 11.336 1.00 2.75 H new ATOM 0 HZ3 LYS B 32 155.289 16.664 12.044 1.00 2.75 H new ATOM 1882 N LYS B 33 153.887 14.649 5.781 1.00 0.35 N ATOM 1883 CA LYS B 33 153.076 15.398 4.781 1.00 0.36 C ATOM 1884 C LYS B 33 151.729 14.696 4.593 1.00 0.34 C ATOM 1885 O LYS B 33 150.685 15.319 4.628 1.00 0.36 O ATOM 1886 CB LYS B 33 153.829 15.427 3.449 1.00 0.36 C ATOM 1887 CG LYS B 33 155.094 16.274 3.604 1.00 0.39 C ATOM 1888 CD LYS B 33 155.854 16.309 2.278 1.00 0.64 C ATOM 1889 CE LYS B 33 157.118 17.156 2.441 1.00 0.66 C ATOM 1890 NZ LYS B 33 156.737 18.586 2.614 1.00 1.56 N ATOM 0 H LYS B 33 154.730 14.204 5.417 1.00 0.35 H new ATOM 0 HA LYS B 33 152.907 16.417 5.129 1.00 0.36 H new ATOM 0 HB2 LYS B 33 154.091 14.414 3.143 1.00 0.36 H new ATOM 0 HB3 LYS B 33 153.193 15.842 2.667 1.00 0.36 H new ATOM 0 HG2 LYS B 33 154.831 17.286 3.910 1.00 0.39 H new ATOM 0 HG3 LYS B 33 155.728 15.859 4.387 1.00 0.39 H new ATOM 0 HD2 LYS B 33 156.118 15.297 1.970 1.00 0.64 H new ATOM 0 HD3 LYS B 33 155.222 16.726 1.494 1.00 0.64 H new ATOM 0 HE2 LYS B 33 157.690 16.814 3.304 1.00 0.66 H new ATOM 0 HE3 LYS B 33 157.760 17.042 1.568 1.00 0.66 H new ATOM 0 HZ1 LYS B 33 157.561 19.191 2.421 1.00 1.56 H new ATOM 0 HZ2 LYS B 33 155.971 18.824 1.952 1.00 1.56 H new ATOM 0 HZ3 LYS B 33 156.413 18.743 3.590 1.00 1.56 H new ATOM 1904 N LEU B 34 151.737 13.403 4.421 1.00 0.32 N ATOM 1905 CA LEU B 34 150.451 12.667 4.265 1.00 0.31 C ATOM 1906 C LEU B 34 149.623 12.830 5.545 1.00 0.31 C ATOM 1907 O LEU B 34 148.419 12.988 5.508 1.00 0.32 O ATOM 1908 CB LEU B 34 150.732 11.181 3.998 1.00 0.28 C ATOM 1909 CG LEU B 34 151.259 10.984 2.564 1.00 0.29 C ATOM 1910 CD1 LEU B 34 151.986 9.638 2.473 1.00 0.29 C ATOM 1911 CD2 LEU B 34 150.091 10.975 1.559 1.00 0.33 C ATOM 0 H LEU B 34 152.577 12.825 4.382 1.00 0.32 H new ATOM 0 HA LEU B 34 149.893 13.072 3.421 1.00 0.31 H new ATOM 0 HB2 LEU B 34 151.463 10.808 4.715 1.00 0.28 H new ATOM 0 HB3 LEU B 34 149.820 10.601 4.140 1.00 0.28 H new ATOM 0 HG LEU B 34 151.937 11.804 2.326 1.00 0.29 H new ATOM 0 HD11 LEU B 34 152.361 9.495 1.459 1.00 0.29 H new ATOM 0 HD12 LEU B 34 152.821 9.627 3.173 1.00 0.29 H new ATOM 0 HD13 LEU B 34 151.294 8.833 2.721 1.00 0.29 H new ATOM 0 HD21 LEU B 34 150.480 10.835 0.550 1.00 0.33 H new ATOM 0 HD22 LEU B 34 149.409 10.160 1.801 1.00 0.33 H new ATOM 0 HD23 LEU B 34 149.557 11.924 1.613 1.00 0.33 H new ATOM 1923 N GLU B 35 150.269 12.785 6.674 1.00 0.31 N ATOM 1924 CA GLU B 35 149.518 12.930 7.956 1.00 0.34 C ATOM 1925 C GLU B 35 148.814 14.289 7.966 1.00 0.37 C ATOM 1926 O GLU B 35 147.664 14.404 8.340 1.00 0.39 O ATOM 1927 CB GLU B 35 150.486 12.840 9.141 1.00 0.35 C ATOM 1928 CG GLU B 35 149.710 12.969 10.458 1.00 0.92 C ATOM 1929 CD GLU B 35 150.681 12.878 11.636 1.00 1.02 C ATOM 1930 OE1 GLU B 35 151.830 12.540 11.407 1.00 1.68 O ATOM 1931 OE2 GLU B 35 150.257 13.147 12.749 1.00 1.35 O ATOM 0 H GLU B 35 151.276 12.655 6.768 1.00 0.31 H new ATOM 0 HA GLU B 35 148.782 12.131 8.042 1.00 0.34 H new ATOM 0 HB2 GLU B 35 151.020 11.890 9.115 1.00 0.35 H new ATOM 0 HB3 GLU B 35 151.235 13.629 9.071 1.00 0.35 H new ATOM 0 HG2 GLU B 35 149.176 13.919 10.486 1.00 0.92 H new ATOM 0 HG3 GLU B 35 148.961 12.180 10.529 1.00 0.92 H new ATOM 1938 N GLU B 36 149.496 15.316 7.543 1.00 0.39 N ATOM 1939 CA GLU B 36 148.874 16.669 7.508 1.00 0.44 C ATOM 1940 C GLU B 36 147.723 16.647 6.498 1.00 0.45 C ATOM 1941 O GLU B 36 146.842 17.484 6.518 1.00 0.49 O ATOM 1942 CB GLU B 36 149.929 17.696 7.072 1.00 0.46 C ATOM 1943 CG GLU B 36 149.332 19.109 7.076 1.00 1.11 C ATOM 1944 CD GLU B 36 148.907 19.489 8.496 1.00 1.38 C ATOM 1945 OE1 GLU B 36 149.508 18.981 9.428 1.00 1.99 O ATOM 1946 OE2 GLU B 36 147.994 20.286 8.626 1.00 1.85 O ATOM 0 H GLU B 36 150.462 15.276 7.218 1.00 0.39 H new ATOM 0 HA GLU B 36 148.496 16.941 8.493 1.00 0.44 H new ATOM 0 HB2 GLU B 36 150.786 17.654 7.744 1.00 0.46 H new ATOM 0 HB3 GLU B 36 150.294 17.451 6.075 1.00 0.46 H new ATOM 0 HG2 GLU B 36 150.065 19.824 6.702 1.00 1.11 H new ATOM 0 HG3 GLU B 36 148.474 19.153 6.406 1.00 1.11 H new ATOM 1953 N ARG B 37 147.736 15.694 5.608 1.00 0.42 N ATOM 1954 CA ARG B 37 146.655 15.616 4.580 1.00 0.45 C ATOM 1955 C ARG B 37 145.493 14.754 5.091 1.00 0.42 C ATOM 1956 O ARG B 37 144.514 14.557 4.399 1.00 0.43 O ATOM 1957 CB ARG B 37 147.222 15.014 3.289 1.00 0.45 C ATOM 1958 CG ARG B 37 148.197 16.006 2.634 1.00 0.52 C ATOM 1959 CD ARG B 37 147.452 17.264 2.144 1.00 0.86 C ATOM 1960 NE ARG B 37 148.107 17.780 0.899 1.00 1.42 N ATOM 1961 CZ ARG B 37 149.403 17.946 0.835 1.00 1.87 C ATOM 1962 NH1 ARG B 37 150.138 17.857 1.909 1.00 2.15 N ATOM 1963 NH2 ARG B 37 149.959 18.261 -0.303 1.00 2.68 N ATOM 0 H ARG B 37 148.447 14.965 5.546 1.00 0.42 H new ATOM 0 HA ARG B 37 146.281 16.620 4.381 1.00 0.45 H new ATOM 0 HB2 ARG B 37 147.735 14.078 3.509 1.00 0.45 H new ATOM 0 HB3 ARG B 37 146.411 14.779 2.600 1.00 0.45 H new ATOM 0 HG2 ARG B 37 148.969 16.290 3.349 1.00 0.52 H new ATOM 0 HG3 ARG B 37 148.701 15.527 1.795 1.00 0.52 H new ATOM 0 HD2 ARG B 37 146.407 17.027 1.946 1.00 0.86 H new ATOM 0 HD3 ARG B 37 147.463 18.031 2.918 1.00 0.86 H new ATOM 0 HE ARG B 37 147.532 18.006 0.087 1.00 1.42 H new ATOM 0 HH11 ARG B 37 149.703 17.656 2.809 1.00 2.15 H new ATOM 0 HH12 ARG B 37 151.148 17.988 1.848 1.00 2.15 H new ATOM 0 HH21 ARG B 37 149.383 18.377 -1.137 1.00 2.68 H new ATOM 0 HH22 ARG B 37 150.969 18.392 -0.358 1.00 2.68 H new ATOM 1977 N GLY B 38 145.567 14.272 6.312 1.00 0.41 N ATOM 1978 CA GLY B 38 144.433 13.463 6.880 1.00 0.39 C ATOM 1979 C GLY B 38 144.735 11.960 6.867 1.00 0.37 C ATOM 1980 O GLY B 38 143.881 11.159 7.191 1.00 0.49 O ATOM 0 H GLY B 38 146.361 14.402 6.939 1.00 0.41 H new ATOM 0 HA2 GLY B 38 144.236 13.784 7.903 1.00 0.39 H new ATOM 0 HA3 GLY B 38 143.527 13.655 6.305 1.00 0.39 H new ATOM 1984 N PHE B 39 145.927 11.560 6.510 1.00 0.31 N ATOM 1985 CA PHE B 39 146.262 10.097 6.493 1.00 0.28 C ATOM 1986 C PHE B 39 147.155 9.772 7.695 1.00 0.28 C ATOM 1987 O PHE B 39 148.350 9.596 7.562 1.00 0.28 O ATOM 1988 CB PHE B 39 147.028 9.784 5.213 1.00 0.27 C ATOM 1989 CG PHE B 39 146.136 9.992 4.016 1.00 0.28 C ATOM 1990 CD1 PHE B 39 146.080 11.246 3.403 1.00 0.31 C ATOM 1991 CD2 PHE B 39 145.374 8.934 3.513 1.00 0.27 C ATOM 1992 CE1 PHE B 39 145.258 11.448 2.290 1.00 0.33 C ATOM 1993 CE2 PHE B 39 144.551 9.131 2.399 1.00 0.30 C ATOM 1994 CZ PHE B 39 144.491 10.390 1.787 1.00 0.32 C ATOM 0 H PHE B 39 146.686 12.180 6.229 1.00 0.31 H new ATOM 0 HA PHE B 39 145.347 9.506 6.540 1.00 0.28 H new ATOM 0 HB2 PHE B 39 147.906 10.425 5.139 1.00 0.27 H new ATOM 0 HB3 PHE B 39 147.386 8.755 5.236 1.00 0.27 H new ATOM 0 HD1 PHE B 39 146.673 12.062 3.790 1.00 0.31 H new ATOM 0 HD2 PHE B 39 145.421 7.964 3.985 1.00 0.27 H new ATOM 0 HE1 PHE B 39 145.215 12.419 1.819 1.00 0.33 H new ATOM 0 HE2 PHE B 39 143.962 8.313 2.011 1.00 0.30 H new ATOM 0 HZ PHE B 39 143.854 10.544 0.929 1.00 0.32 H new ATOM 2004 N ASP B 40 146.588 9.711 8.869 1.00 0.30 N ATOM 2005 CA ASP B 40 147.416 9.420 10.075 1.00 0.31 C ATOM 2006 C ASP B 40 147.688 7.916 10.187 1.00 0.29 C ATOM 2007 O ASP B 40 148.489 7.489 10.996 1.00 0.30 O ATOM 2008 CB ASP B 40 146.671 9.893 11.325 1.00 0.35 C ATOM 2009 CG ASP B 40 145.354 9.125 11.457 1.00 0.37 C ATOM 2010 OD1 ASP B 40 144.915 8.570 10.463 1.00 0.36 O ATOM 2011 OD2 ASP B 40 144.807 9.108 12.546 1.00 0.41 O ATOM 0 H ASP B 40 145.593 9.849 9.045 1.00 0.30 H new ATOM 0 HA ASP B 40 148.367 9.945 9.985 1.00 0.31 H new ATOM 0 HB2 ASP B 40 147.287 9.734 12.210 1.00 0.35 H new ATOM 0 HB3 ASP B 40 146.475 10.963 11.261 1.00 0.35 H new ATOM 2016 N LYS B 41 147.027 7.108 9.392 1.00 0.28 N ATOM 2017 CA LYS B 41 147.245 5.625 9.464 1.00 0.28 C ATOM 2018 C LYS B 41 147.431 5.055 8.052 1.00 0.23 C ATOM 2019 O LYS B 41 146.970 5.609 7.073 1.00 0.23 O ATOM 2020 CB LYS B 41 146.036 4.968 10.142 1.00 0.33 C ATOM 2021 CG LYS B 41 145.882 5.496 11.580 1.00 0.47 C ATOM 2022 CD LYS B 41 147.010 4.959 12.475 1.00 0.74 C ATOM 2023 CE LYS B 41 146.626 5.134 13.947 1.00 0.71 C ATOM 2024 NZ LYS B 41 145.348 4.419 14.222 1.00 1.56 N ATOM 0 H LYS B 41 146.346 7.410 8.696 1.00 0.28 H new ATOM 0 HA LYS B 41 148.143 5.417 10.046 1.00 0.28 H new ATOM 0 HB2 LYS B 41 145.131 5.177 9.571 1.00 0.33 H new ATOM 0 HB3 LYS B 41 146.161 3.885 10.156 1.00 0.33 H new ATOM 0 HG2 LYS B 41 145.900 6.586 11.577 1.00 0.47 H new ATOM 0 HG3 LYS B 41 144.915 5.194 11.983 1.00 0.47 H new ATOM 0 HD2 LYS B 41 147.190 3.906 12.258 1.00 0.74 H new ATOM 0 HD3 LYS B 41 147.938 5.490 12.265 1.00 0.74 H new ATOM 0 HE2 LYS B 41 147.417 4.744 14.588 1.00 0.71 H new ATOM 0 HE3 LYS B 41 146.519 6.193 14.181 1.00 0.71 H new ATOM 0 HZ1 LYS B 41 144.585 5.112 14.359 1.00 1.56 H new ATOM 0 HZ2 LYS B 41 145.115 3.802 13.418 1.00 1.56 H new ATOM 0 HZ3 LYS B 41 145.451 3.843 15.082 1.00 1.56 H new ATOM 2038 N ALA B 42 148.134 3.959 7.956 1.00 0.21 N ATOM 2039 CA ALA B 42 148.410 3.326 6.627 1.00 0.20 C ATOM 2040 C ALA B 42 147.126 2.850 5.938 1.00 0.18 C ATOM 2041 O ALA B 42 146.952 3.039 4.751 1.00 0.18 O ATOM 2042 CB ALA B 42 149.334 2.126 6.842 1.00 0.21 C ATOM 0 H ALA B 42 148.536 3.465 8.753 1.00 0.21 H new ATOM 0 HA ALA B 42 148.875 4.073 5.984 1.00 0.20 H new ATOM 0 HB1 ALA B 42 149.545 1.653 5.883 1.00 0.21 H new ATOM 0 HB2 ALA B 42 150.267 2.462 7.294 1.00 0.21 H new ATOM 0 HB3 ALA B 42 148.849 1.407 7.502 1.00 0.21 H new ATOM 2048 N TYR B 43 146.245 2.208 6.647 1.00 0.18 N ATOM 2049 CA TYR B 43 145.006 1.693 5.995 1.00 0.18 C ATOM 2050 C TYR B 43 144.238 2.837 5.320 1.00 0.17 C ATOM 2051 O TYR B 43 143.410 2.609 4.460 1.00 0.17 O ATOM 2052 CB TYR B 43 144.117 0.989 7.024 1.00 0.20 C ATOM 2053 CG TYR B 43 143.548 1.991 7.992 1.00 0.21 C ATOM 2054 CD1 TYR B 43 142.431 2.748 7.629 1.00 0.21 C ATOM 2055 CD2 TYR B 43 144.124 2.152 9.258 1.00 0.24 C ATOM 2056 CE1 TYR B 43 141.889 3.667 8.529 1.00 0.25 C ATOM 2057 CE2 TYR B 43 143.582 3.074 10.159 1.00 0.28 C ATOM 2058 CZ TYR B 43 142.463 3.833 9.794 1.00 0.27 C ATOM 2059 OH TYR B 43 141.927 4.740 10.684 1.00 0.32 O ATOM 0 H TYR B 43 146.325 2.016 7.646 1.00 0.18 H new ATOM 0 HA TYR B 43 145.292 0.971 5.230 1.00 0.18 H new ATOM 0 HB2 TYR B 43 143.308 0.463 6.517 1.00 0.20 H new ATOM 0 HB3 TYR B 43 144.696 0.240 7.564 1.00 0.20 H new ATOM 0 HD1 TYR B 43 141.987 2.622 6.652 1.00 0.21 H new ATOM 0 HD2 TYR B 43 144.986 1.565 9.538 1.00 0.24 H new ATOM 0 HE1 TYR B 43 141.025 4.251 8.248 1.00 0.25 H new ATOM 0 HE2 TYR B 43 144.026 3.201 11.135 1.00 0.28 H new ATOM 0 HH TYR B 43 142.446 4.728 11.515 1.00 0.32 H new ATOM 2069 N VAL B 44 144.512 4.062 5.679 1.00 0.18 N ATOM 2070 CA VAL B 44 143.801 5.207 5.028 1.00 0.18 C ATOM 2071 C VAL B 44 144.458 5.469 3.667 1.00 0.17 C ATOM 2072 O VAL B 44 143.820 5.837 2.698 1.00 0.17 O ATOM 2073 CB VAL B 44 143.915 6.459 5.906 1.00 0.20 C ATOM 2074 CG1 VAL B 44 143.047 7.587 5.326 1.00 0.21 C ATOM 2075 CG2 VAL B 44 143.443 6.141 7.329 1.00 0.24 C ATOM 0 H VAL B 44 145.194 4.322 6.392 1.00 0.18 H new ATOM 0 HA VAL B 44 142.746 4.967 4.898 1.00 0.18 H new ATOM 0 HB VAL B 44 144.957 6.778 5.930 1.00 0.20 H new ATOM 0 HG11 VAL B 44 143.133 8.473 5.955 1.00 0.21 H new ATOM 0 HG12 VAL B 44 143.385 7.824 4.317 1.00 0.21 H new ATOM 0 HG13 VAL B 44 142.006 7.265 5.294 1.00 0.21 H new ATOM 0 HG21 VAL B 44 143.526 7.034 7.948 1.00 0.24 H new ATOM 0 HG22 VAL B 44 142.404 5.813 7.303 1.00 0.24 H new ATOM 0 HG23 VAL B 44 144.063 5.349 7.749 1.00 0.24 H new ATOM 2085 N VAL B 45 145.742 5.248 3.606 1.00 0.17 N ATOM 2086 CA VAL B 45 146.490 5.446 2.332 1.00 0.17 C ATOM 2087 C VAL B 45 146.138 4.284 1.409 1.00 0.15 C ATOM 2088 O VAL B 45 145.939 4.453 0.222 1.00 0.15 O ATOM 2089 CB VAL B 45 147.997 5.468 2.602 1.00 0.18 C ATOM 2090 CG1 VAL B 45 148.760 5.416 1.275 1.00 0.22 C ATOM 2091 CG2 VAL B 45 148.370 6.754 3.351 1.00 0.20 C ATOM 0 H VAL B 45 146.311 4.935 4.393 1.00 0.17 H new ATOM 0 HA VAL B 45 146.218 6.396 1.872 1.00 0.17 H new ATOM 0 HB VAL B 45 148.263 4.603 3.209 1.00 0.18 H new ATOM 0 HG11 VAL B 45 149.832 5.432 1.471 1.00 0.22 H new ATOM 0 HG12 VAL B 45 148.502 4.501 0.743 1.00 0.22 H new ATOM 0 HG13 VAL B 45 148.490 6.279 0.666 1.00 0.22 H new ATOM 0 HG21 VAL B 45 149.443 6.766 3.541 1.00 0.20 H new ATOM 0 HG22 VAL B 45 148.099 7.619 2.746 1.00 0.20 H new ATOM 0 HG23 VAL B 45 147.833 6.792 4.299 1.00 0.20 H new ATOM 2101 N LEU B 46 146.018 3.111 1.958 1.00 0.17 N ATOM 2102 CA LEU B 46 145.633 1.942 1.131 1.00 0.17 C ATOM 2103 C LEU B 46 144.284 2.252 0.485 1.00 0.17 C ATOM 2104 O LEU B 46 144.033 1.916 -0.655 1.00 0.17 O ATOM 2105 CB LEU B 46 145.515 0.702 2.035 1.00 0.22 C ATOM 2106 CG LEU B 46 144.831 -0.453 1.287 1.00 0.25 C ATOM 2107 CD1 LEU B 46 145.619 -0.795 0.022 1.00 0.40 C ATOM 2108 CD2 LEU B 46 144.756 -1.688 2.191 1.00 0.35 C ATOM 0 H LEU B 46 146.171 2.912 2.947 1.00 0.17 H new ATOM 0 HA LEU B 46 146.379 1.744 0.361 1.00 0.17 H new ATOM 0 HB2 LEU B 46 146.506 0.391 2.366 1.00 0.22 H new ATOM 0 HB3 LEU B 46 144.944 0.951 2.930 1.00 0.22 H new ATOM 0 HG LEU B 46 143.822 -0.145 1.011 1.00 0.25 H new ATOM 0 HD11 LEU B 46 145.128 -1.615 -0.502 1.00 0.40 H new ATOM 0 HD12 LEU B 46 145.660 0.079 -0.628 1.00 0.40 H new ATOM 0 HD13 LEU B 46 146.632 -1.093 0.294 1.00 0.40 H new ATOM 0 HD21 LEU B 46 144.270 -2.503 1.654 1.00 0.35 H new ATOM 0 HD22 LEU B 46 145.763 -1.991 2.477 1.00 0.35 H new ATOM 0 HD23 LEU B 46 144.181 -1.449 3.086 1.00 0.35 H new ATOM 2120 N GLY B 47 143.411 2.884 1.216 1.00 0.17 N ATOM 2121 CA GLY B 47 142.070 3.212 0.665 1.00 0.18 C ATOM 2122 C GLY B 47 142.221 4.047 -0.605 1.00 0.17 C ATOM 2123 O GLY B 47 141.550 3.815 -1.590 1.00 0.18 O ATOM 0 H GLY B 47 143.570 3.189 2.176 1.00 0.17 H new ATOM 0 HA2 GLY B 47 141.523 2.295 0.445 1.00 0.18 H new ATOM 0 HA3 GLY B 47 141.487 3.761 1.405 1.00 0.18 H new ATOM 2127 N GLN B 48 143.102 5.010 -0.605 1.00 0.17 N ATOM 2128 CA GLN B 48 143.281 5.837 -1.831 1.00 0.18 C ATOM 2129 C GLN B 48 143.703 4.919 -2.980 1.00 0.17 C ATOM 2130 O GLN B 48 143.210 5.020 -4.086 1.00 0.18 O ATOM 2131 CB GLN B 48 144.373 6.880 -1.589 1.00 0.18 C ATOM 2132 CG GLN B 48 144.386 7.879 -2.743 1.00 0.22 C ATOM 2133 CD GLN B 48 143.154 8.781 -2.651 1.00 0.28 C ATOM 2134 OE1 GLN B 48 142.768 9.191 -1.573 1.00 0.97 O ATOM 2135 NE2 GLN B 48 142.517 9.111 -3.740 1.00 1.09 N ATOM 0 H GLN B 48 143.700 5.258 0.183 1.00 0.17 H new ATOM 0 HA GLN B 48 142.348 6.344 -2.078 1.00 0.18 H new ATOM 0 HB2 GLN B 48 144.194 7.398 -0.647 1.00 0.18 H new ATOM 0 HB3 GLN B 48 145.344 6.393 -1.505 1.00 0.18 H new ATOM 0 HG2 GLN B 48 145.294 8.481 -2.707 1.00 0.22 H new ATOM 0 HG3 GLN B 48 144.392 7.350 -3.696 1.00 0.22 H new ATOM 0 HE21 GLN B 48 142.841 8.767 -4.644 1.00 1.09 H new ATOM 0 HE22 GLN B 48 141.695 9.713 -3.688 1.00 1.09 H new ATOM 2144 N PHE B 49 144.596 4.007 -2.712 1.00 0.17 N ATOM 2145 CA PHE B 49 145.043 3.054 -3.766 1.00 0.17 C ATOM 2146 C PHE B 49 143.827 2.259 -4.252 1.00 0.18 C ATOM 2147 O PHE B 49 143.664 2.007 -5.429 1.00 0.19 O ATOM 2148 CB PHE B 49 146.089 2.117 -3.155 1.00 0.18 C ATOM 2149 CG PHE B 49 146.581 1.122 -4.181 1.00 0.20 C ATOM 2150 CD1 PHE B 49 147.323 1.560 -5.283 1.00 0.24 C ATOM 2151 CD2 PHE B 49 146.309 -0.245 -4.018 1.00 0.27 C ATOM 2152 CE1 PHE B 49 147.792 0.635 -6.224 1.00 0.27 C ATOM 2153 CE2 PHE B 49 146.777 -1.168 -4.959 1.00 0.31 C ATOM 2154 CZ PHE B 49 147.519 -0.729 -6.062 1.00 0.27 C ATOM 0 H PHE B 49 145.038 3.880 -1.802 1.00 0.17 H new ATOM 0 HA PHE B 49 145.484 3.581 -4.613 1.00 0.17 H new ATOM 0 HB2 PHE B 49 146.928 2.700 -2.775 1.00 0.18 H new ATOM 0 HB3 PHE B 49 145.658 1.587 -2.305 1.00 0.18 H new ATOM 0 HD1 PHE B 49 147.534 2.612 -5.408 1.00 0.24 H new ATOM 0 HD2 PHE B 49 145.738 -0.584 -3.166 1.00 0.27 H new ATOM 0 HE1 PHE B 49 148.364 0.974 -7.075 1.00 0.27 H new ATOM 0 HE2 PHE B 49 146.566 -2.220 -4.835 1.00 0.31 H new ATOM 0 HZ PHE B 49 147.881 -1.442 -6.788 1.00 0.27 H new ATOM 2164 N LEU B 50 142.970 1.882 -3.351 1.00 0.18 N ATOM 2165 CA LEU B 50 141.756 1.119 -3.762 1.00 0.20 C ATOM 2166 C LEU B 50 140.822 2.065 -4.532 1.00 0.21 C ATOM 2167 O LEU B 50 140.206 1.686 -5.508 1.00 0.23 O ATOM 2168 CB LEU B 50 141.035 0.567 -2.524 1.00 0.22 C ATOM 2169 CG LEU B 50 141.938 -0.427 -1.767 1.00 0.23 C ATOM 2170 CD1 LEU B 50 141.219 -0.902 -0.490 1.00 0.27 C ATOM 2171 CD2 LEU B 50 142.257 -1.641 -2.661 1.00 0.27 C ATOM 0 H LEU B 50 143.053 2.066 -2.351 1.00 0.18 H new ATOM 0 HA LEU B 50 142.044 0.281 -4.396 1.00 0.20 H new ATOM 0 HB2 LEU B 50 140.755 1.388 -1.864 1.00 0.22 H new ATOM 0 HB3 LEU B 50 140.112 0.071 -2.825 1.00 0.22 H new ATOM 0 HG LEU B 50 142.870 0.071 -1.500 1.00 0.23 H new ATOM 0 HD11 LEU B 50 141.856 -1.605 0.046 1.00 0.27 H new ATOM 0 HD12 LEU B 50 141.007 -0.044 0.149 1.00 0.27 H new ATOM 0 HD13 LEU B 50 140.284 -1.393 -0.760 1.00 0.27 H new ATOM 0 HD21 LEU B 50 142.895 -2.336 -2.116 1.00 0.27 H new ATOM 0 HD22 LEU B 50 141.330 -2.142 -2.939 1.00 0.27 H new ATOM 0 HD23 LEU B 50 142.772 -1.305 -3.561 1.00 0.27 H new ATOM 2183 N VAL B 51 140.701 3.287 -4.087 1.00 0.21 N ATOM 2184 CA VAL B 51 139.794 4.260 -4.776 1.00 0.23 C ATOM 2185 C VAL B 51 140.340 4.620 -6.168 1.00 0.23 C ATOM 2186 O VAL B 51 139.599 5.006 -7.050 1.00 0.25 O ATOM 2187 CB VAL B 51 139.654 5.531 -3.925 1.00 0.25 C ATOM 2188 CG1 VAL B 51 138.921 6.615 -4.727 1.00 0.28 C ATOM 2189 CG2 VAL B 51 138.848 5.211 -2.662 1.00 0.27 C ATOM 0 H VAL B 51 141.192 3.658 -3.273 1.00 0.21 H new ATOM 0 HA VAL B 51 138.815 3.796 -4.899 1.00 0.23 H new ATOM 0 HB VAL B 51 140.646 5.890 -3.651 1.00 0.25 H new ATOM 0 HG11 VAL B 51 138.824 7.514 -4.119 1.00 0.28 H new ATOM 0 HG12 VAL B 51 139.488 6.846 -5.629 1.00 0.28 H new ATOM 0 HG13 VAL B 51 137.930 6.255 -5.003 1.00 0.28 H new ATOM 0 HG21 VAL B 51 138.747 6.112 -2.057 1.00 0.27 H new ATOM 0 HG22 VAL B 51 137.859 4.851 -2.943 1.00 0.27 H new ATOM 0 HG23 VAL B 51 139.364 4.443 -2.086 1.00 0.27 H new ATOM 2199 N LEU B 52 141.626 4.512 -6.371 1.00 0.22 N ATOM 2200 CA LEU B 52 142.205 4.868 -7.709 1.00 0.23 C ATOM 2201 C LEU B 52 142.218 3.633 -8.615 1.00 0.23 C ATOM 2202 O LEU B 52 142.874 3.615 -9.638 1.00 0.24 O ATOM 2203 CB LEU B 52 143.632 5.407 -7.544 1.00 0.24 C ATOM 2204 CG LEU B 52 143.612 6.756 -6.804 1.00 0.25 C ATOM 2205 CD1 LEU B 52 145.054 7.235 -6.603 1.00 0.30 C ATOM 2206 CD2 LEU B 52 142.829 7.810 -7.619 1.00 0.27 C ATOM 0 H LEU B 52 142.301 4.195 -5.675 1.00 0.22 H new ATOM 0 HA LEU B 52 141.587 5.642 -8.165 1.00 0.23 H new ATOM 0 HB2 LEU B 52 144.237 4.690 -6.990 1.00 0.24 H new ATOM 0 HB3 LEU B 52 144.098 5.528 -8.522 1.00 0.24 H new ATOM 0 HG LEU B 52 143.120 6.626 -5.840 1.00 0.25 H new ATOM 0 HD11 LEU B 52 145.050 8.191 -6.079 1.00 0.30 H new ATOM 0 HD12 LEU B 52 145.603 6.500 -6.014 1.00 0.30 H new ATOM 0 HD13 LEU B 52 145.536 7.355 -7.573 1.00 0.30 H new ATOM 0 HD21 LEU B 52 142.825 8.757 -7.080 1.00 0.27 H new ATOM 0 HD22 LEU B 52 143.305 7.946 -8.590 1.00 0.27 H new ATOM 0 HD23 LEU B 52 141.803 7.470 -7.763 1.00 0.27 H new ATOM 2218 N LYS B 53 141.494 2.610 -8.263 1.00 0.23 N ATOM 2219 CA LYS B 53 141.454 1.389 -9.116 1.00 0.24 C ATOM 2220 C LYS B 53 142.870 0.902 -9.428 1.00 0.24 C ATOM 2221 O LYS B 53 143.112 0.295 -10.451 1.00 0.30 O ATOM 2222 CB LYS B 53 140.720 1.703 -10.417 1.00 0.29 C ATOM 2223 CG LYS B 53 139.278 2.098 -10.093 1.00 0.39 C ATOM 2224 CD LYS B 53 138.530 2.416 -11.385 1.00 0.48 C ATOM 2225 CE LYS B 53 137.089 2.810 -11.055 1.00 0.92 C ATOM 2226 NZ LYS B 53 136.408 1.673 -10.371 1.00 1.71 N ATOM 0 H LYS B 53 140.925 2.565 -7.418 1.00 0.23 H new ATOM 0 HA LYS B 53 140.928 0.601 -8.577 1.00 0.24 H new ATOM 0 HB2 LYS B 53 141.222 2.513 -10.946 1.00 0.29 H new ATOM 0 HB3 LYS B 53 140.733 0.835 -11.076 1.00 0.29 H new ATOM 0 HG2 LYS B 53 138.779 1.287 -9.562 1.00 0.39 H new ATOM 0 HG3 LYS B 53 139.268 2.965 -9.432 1.00 0.39 H new ATOM 0 HD2 LYS B 53 139.028 3.227 -11.916 1.00 0.48 H new ATOM 0 HD3 LYS B 53 138.539 1.549 -12.046 1.00 0.48 H new ATOM 0 HE2 LYS B 53 137.079 3.692 -10.415 1.00 0.92 H new ATOM 0 HE3 LYS B 53 136.554 3.073 -11.968 1.00 0.92 H new ATOM 0 HZ1 LYS B 53 135.626 1.330 -10.964 1.00 1.71 H new ATOM 0 HZ2 LYS B 53 137.089 0.903 -10.217 1.00 1.71 H new ATOM 0 HZ3 LYS B 53 136.034 1.993 -9.455 1.00 1.71 H new ATOM 2240 N LYS B 54 143.796 1.150 -8.539 1.00 0.23 N ATOM 2241 CA LYS B 54 145.204 0.692 -8.733 1.00 0.26 C ATOM 2242 C LYS B 54 145.801 1.299 -10.008 1.00 0.28 C ATOM 2243 O LYS B 54 146.785 0.806 -10.523 1.00 0.34 O ATOM 2244 CB LYS B 54 145.227 -0.837 -8.847 1.00 0.36 C ATOM 2245 CG LYS B 54 144.463 -1.444 -7.671 1.00 0.67 C ATOM 2246 CD LYS B 54 144.481 -2.970 -7.778 1.00 0.83 C ATOM 2247 CE LYS B 54 143.716 -3.574 -6.600 1.00 1.41 C ATOM 2248 NZ LYS B 54 143.500 -5.029 -6.841 1.00 2.25 N ATOM 0 H LYS B 54 143.633 1.660 -7.671 1.00 0.23 H new ATOM 0 HA LYS B 54 145.797 1.016 -7.878 1.00 0.26 H new ATOM 0 HB2 LYS B 54 144.776 -1.150 -9.789 1.00 0.36 H new ATOM 0 HB3 LYS B 54 146.256 -1.197 -8.852 1.00 0.36 H new ATOM 0 HG2 LYS B 54 144.915 -1.130 -6.730 1.00 0.67 H new ATOM 0 HG3 LYS B 54 143.435 -1.082 -7.667 1.00 0.67 H new ATOM 0 HD2 LYS B 54 144.029 -3.284 -8.718 1.00 0.83 H new ATOM 0 HD3 LYS B 54 145.509 -3.333 -7.782 1.00 0.83 H new ATOM 0 HE2 LYS B 54 144.275 -3.427 -5.676 1.00 1.41 H new ATOM 0 HE3 LYS B 54 142.758 -3.069 -6.477 1.00 1.41 H new ATOM 0 HZ1 LYS B 54 142.564 -5.305 -6.482 1.00 2.25 H new ATOM 0 HZ2 LYS B 54 143.551 -5.223 -7.861 1.00 2.25 H new ATOM 0 HZ3 LYS B 54 144.235 -5.575 -6.348 1.00 2.25 H new ATOM 2262 N ASP B 55 145.250 2.365 -10.521 1.00 0.30 N ATOM 2263 CA ASP B 55 145.856 2.963 -11.746 1.00 0.39 C ATOM 2264 C ASP B 55 147.222 3.544 -11.362 1.00 0.38 C ATOM 2265 O ASP B 55 147.320 4.445 -10.552 1.00 0.37 O ATOM 2266 CB ASP B 55 144.945 4.067 -12.287 1.00 0.47 C ATOM 2267 CG ASP B 55 143.756 3.437 -13.017 1.00 1.18 C ATOM 2268 OD1 ASP B 55 143.952 2.420 -13.662 1.00 1.80 O ATOM 2269 OD2 ASP B 55 142.669 3.981 -12.915 1.00 1.54 O ATOM 0 H ASP B 55 144.425 2.840 -10.156 1.00 0.30 H new ATOM 0 HA ASP B 55 145.976 2.207 -12.522 1.00 0.39 H new ATOM 0 HB2 ASP B 55 144.592 4.695 -11.469 1.00 0.47 H new ATOM 0 HB3 ASP B 55 145.502 4.712 -12.966 1.00 0.47 H new ATOM 2274 N GLU B 56 148.277 3.006 -11.910 1.00 0.39 N ATOM 2275 CA GLU B 56 149.647 3.482 -11.557 1.00 0.38 C ATOM 2276 C GLU B 56 149.868 4.950 -11.943 1.00 0.38 C ATOM 2277 O GLU B 56 150.488 5.696 -11.217 1.00 0.38 O ATOM 2278 CB GLU B 56 150.675 2.607 -12.282 1.00 0.40 C ATOM 2279 CG GLU B 56 152.093 3.031 -11.888 1.00 0.41 C ATOM 2280 CD GLU B 56 153.107 2.096 -12.550 1.00 0.63 C ATOM 2281 OE1 GLU B 56 153.490 2.370 -13.675 1.00 0.88 O ATOM 2282 OE2 GLU B 56 153.487 1.123 -11.918 1.00 0.85 O ATOM 0 H GLU B 56 148.249 2.250 -12.594 1.00 0.39 H new ATOM 0 HA GLU B 56 149.763 3.407 -10.476 1.00 0.38 H new ATOM 0 HB2 GLU B 56 150.516 1.559 -12.029 1.00 0.40 H new ATOM 0 HB3 GLU B 56 150.546 2.697 -13.361 1.00 0.40 H new ATOM 0 HG2 GLU B 56 152.275 4.060 -12.197 1.00 0.41 H new ATOM 0 HG3 GLU B 56 152.206 2.999 -10.804 1.00 0.41 H new ATOM 2289 N ASP B 57 149.390 5.377 -13.078 1.00 0.40 N ATOM 2290 CA ASP B 57 149.616 6.795 -13.484 1.00 0.42 C ATOM 2291 C ASP B 57 148.832 7.731 -12.565 1.00 0.41 C ATOM 2292 O ASP B 57 149.318 8.770 -12.163 1.00 0.41 O ATOM 2293 CB ASP B 57 149.140 6.987 -14.928 1.00 0.45 C ATOM 2294 CG ASP B 57 150.080 6.253 -15.886 1.00 0.47 C ATOM 2295 OD1 ASP B 57 151.223 6.044 -15.519 1.00 0.65 O ATOM 2296 OD2 ASP B 57 149.638 5.906 -16.969 1.00 0.74 O ATOM 0 H ASP B 57 148.856 4.812 -13.739 1.00 0.40 H new ATOM 0 HA ASP B 57 150.678 7.027 -13.409 1.00 0.42 H new ATOM 0 HB2 ASP B 57 148.124 6.608 -15.039 1.00 0.45 H new ATOM 0 HB3 ASP B 57 149.112 8.049 -15.173 1.00 0.45 H new ATOM 2301 N LEU B 58 147.641 7.369 -12.212 1.00 0.40 N ATOM 2302 CA LEU B 58 146.859 8.244 -11.297 1.00 0.40 C ATOM 2303 C LEU B 58 147.451 8.157 -9.889 1.00 0.38 C ATOM 2304 O LEU B 58 147.560 9.143 -9.186 1.00 0.38 O ATOM 2305 CB LEU B 58 145.386 7.817 -11.268 1.00 0.41 C ATOM 2306 CG LEU B 58 144.770 7.925 -12.673 1.00 0.47 C ATOM 2307 CD1 LEU B 58 143.321 7.426 -12.627 1.00 0.45 C ATOM 2308 CD2 LEU B 58 144.792 9.390 -13.152 1.00 0.55 C ATOM 0 H LEU B 58 147.173 6.514 -12.511 1.00 0.40 H new ATOM 0 HA LEU B 58 146.912 9.271 -11.658 1.00 0.40 H new ATOM 0 HB2 LEU B 58 145.305 6.792 -10.906 1.00 0.41 H new ATOM 0 HB3 LEU B 58 144.832 8.446 -10.571 1.00 0.41 H new ATOM 0 HG LEU B 58 145.351 7.317 -13.366 1.00 0.47 H new ATOM 0 HD11 LEU B 58 142.879 7.500 -13.621 1.00 0.45 H new ATOM 0 HD12 LEU B 58 143.304 6.387 -12.299 1.00 0.45 H new ATOM 0 HD13 LEU B 58 142.748 8.036 -11.929 1.00 0.45 H new ATOM 0 HD21 LEU B 58 144.353 9.454 -14.148 1.00 0.55 H new ATOM 0 HD22 LEU B 58 144.217 10.007 -12.462 1.00 0.55 H new ATOM 0 HD23 LEU B 58 145.822 9.746 -13.186 1.00 0.55 H new ATOM 2320 N PHE B 59 147.849 6.983 -9.476 1.00 0.37 N ATOM 2321 CA PHE B 59 148.450 6.833 -8.119 1.00 0.35 C ATOM 2322 C PHE B 59 149.753 7.629 -8.021 1.00 0.36 C ATOM 2323 O PHE B 59 149.972 8.360 -7.073 1.00 0.35 O ATOM 2324 CB PHE B 59 148.738 5.356 -7.837 1.00 0.35 C ATOM 2325 CG PHE B 59 149.347 5.219 -6.460 1.00 0.34 C ATOM 2326 CD1 PHE B 59 150.737 5.282 -6.301 1.00 0.37 C ATOM 2327 CD2 PHE B 59 148.524 5.030 -5.342 1.00 0.35 C ATOM 2328 CE1 PHE B 59 151.304 5.157 -5.027 1.00 0.38 C ATOM 2329 CE2 PHE B 59 149.091 4.904 -4.067 1.00 0.37 C ATOM 2330 CZ PHE B 59 150.481 4.968 -3.910 1.00 0.37 C ATOM 0 H PHE B 59 147.784 6.122 -10.019 1.00 0.37 H new ATOM 0 HA PHE B 59 147.742 7.215 -7.384 1.00 0.35 H new ATOM 0 HB2 PHE B 59 147.817 4.776 -7.899 1.00 0.35 H new ATOM 0 HB3 PHE B 59 149.418 4.956 -8.589 1.00 0.35 H new ATOM 0 HD1 PHE B 59 151.372 5.427 -7.162 1.00 0.37 H new ATOM 0 HD2 PHE B 59 147.452 4.981 -5.463 1.00 0.35 H new ATOM 0 HE1 PHE B 59 152.376 5.206 -4.906 1.00 0.38 H new ATOM 0 HE2 PHE B 59 148.456 4.758 -3.206 1.00 0.37 H new ATOM 0 HZ PHE B 59 150.918 4.872 -2.927 1.00 0.37 H new ATOM 2340 N ARG B 60 150.640 7.470 -8.974 1.00 0.38 N ATOM 2341 CA ARG B 60 151.940 8.199 -8.897 1.00 0.39 C ATOM 2342 C ARG B 60 151.711 9.705 -8.871 1.00 0.40 C ATOM 2343 O ARG B 60 152.317 10.414 -8.093 1.00 0.39 O ATOM 2344 CB ARG B 60 152.818 7.859 -10.106 1.00 0.43 C ATOM 2345 CG ARG B 60 153.307 6.413 -10.013 1.00 0.44 C ATOM 2346 CD ARG B 60 154.201 6.110 -11.218 1.00 0.51 C ATOM 2347 NE ARG B 60 153.437 6.326 -12.477 1.00 1.31 N ATOM 2348 CZ ARG B 60 154.074 6.443 -13.611 1.00 1.54 C ATOM 2349 NH1 ARG B 60 155.376 6.367 -13.639 1.00 1.15 N ATOM 2350 NH2 ARG B 60 153.411 6.639 -14.715 1.00 2.64 N ATOM 0 H ARG B 60 150.520 6.873 -9.792 1.00 0.38 H new ATOM 0 HA ARG B 60 152.440 7.889 -7.979 1.00 0.39 H new ATOM 0 HB2 ARG B 60 152.252 8.001 -11.027 1.00 0.43 H new ATOM 0 HB3 ARG B 60 153.670 8.537 -10.148 1.00 0.43 H new ATOM 0 HG2 ARG B 60 153.861 6.262 -9.086 1.00 0.44 H new ATOM 0 HG3 ARG B 60 152.458 5.729 -9.993 1.00 0.44 H new ATOM 0 HD2 ARG B 60 155.081 6.753 -11.201 1.00 0.51 H new ATOM 0 HD3 ARG B 60 154.557 5.081 -11.169 1.00 0.51 H new ATOM 0 HE ARG B 60 152.419 6.382 -12.454 1.00 1.31 H new ATOM 0 HH11 ARG B 60 155.897 6.216 -12.775 1.00 1.15 H new ATOM 0 HH12 ARG B 60 155.873 6.458 -14.525 1.00 1.15 H new ATOM 0 HH21 ARG B 60 152.393 6.701 -14.694 1.00 2.64 H new ATOM 0 HH22 ARG B 60 153.910 6.730 -15.600 1.00 2.64 H new ATOM 2364 N GLU B 61 150.854 10.214 -9.711 1.00 0.42 N ATOM 2365 CA GLU B 61 150.616 11.677 -9.710 1.00 0.44 C ATOM 2366 C GLU B 61 149.973 12.074 -8.381 1.00 0.42 C ATOM 2367 O GLU B 61 150.266 13.114 -7.827 1.00 0.43 O ATOM 2368 CB GLU B 61 149.692 12.039 -10.873 1.00 0.48 C ATOM 2369 CG GLU B 61 150.448 11.842 -12.189 1.00 1.30 C ATOM 2370 CD GLU B 61 149.538 12.199 -13.365 1.00 1.77 C ATOM 2371 OE1 GLU B 61 148.355 12.390 -13.137 1.00 2.38 O ATOM 2372 OE2 GLU B 61 150.041 12.276 -14.475 1.00 2.33 O ATOM 0 H GLU B 61 150.313 9.682 -10.392 1.00 0.42 H new ATOM 0 HA GLU B 61 151.558 12.212 -9.828 1.00 0.44 H new ATOM 0 HB2 GLU B 61 148.800 11.413 -10.854 1.00 0.48 H new ATOM 0 HB3 GLU B 61 149.358 13.073 -10.781 1.00 0.48 H new ATOM 0 HG2 GLU B 61 151.340 12.468 -12.204 1.00 1.30 H new ATOM 0 HG3 GLU B 61 150.782 10.808 -12.276 1.00 1.30 H new ATOM 2379 N TRP B 62 149.103 11.256 -7.860 1.00 0.40 N ATOM 2380 CA TRP B 62 148.451 11.598 -6.564 1.00 0.39 C ATOM 2381 C TRP B 62 149.479 11.633 -5.428 1.00 0.36 C ATOM 2382 O TRP B 62 149.517 12.558 -4.645 1.00 0.36 O ATOM 2383 CB TRP B 62 147.379 10.552 -6.226 1.00 0.38 C ATOM 2384 CG TRP B 62 146.885 10.784 -4.828 1.00 0.36 C ATOM 2385 CD1 TRP B 62 145.930 11.674 -4.479 1.00 0.39 C ATOM 2386 CD2 TRP B 62 147.327 10.150 -3.592 1.00 0.34 C ATOM 2387 NE1 TRP B 62 145.752 11.626 -3.107 1.00 0.37 N ATOM 2388 CE2 TRP B 62 146.590 10.700 -2.515 1.00 0.34 C ATOM 2389 CE3 TRP B 62 148.283 9.158 -3.302 1.00 0.32 C ATOM 2390 CZ2 TRP B 62 146.798 10.282 -1.197 1.00 0.34 C ATOM 2391 CZ3 TRP B 62 148.490 8.735 -1.979 1.00 0.31 C ATOM 2392 CH2 TRP B 62 147.749 9.295 -0.931 1.00 0.32 C ATOM 0 H TRP B 62 148.815 10.369 -8.273 1.00 0.40 H new ATOM 0 HA TRP B 62 147.996 12.583 -6.666 1.00 0.39 H new ATOM 0 HB2 TRP B 62 146.552 10.620 -6.933 1.00 0.38 H new ATOM 0 HB3 TRP B 62 147.793 9.548 -6.316 1.00 0.38 H new ATOM 0 HD1 TRP B 62 145.393 12.318 -5.160 1.00 0.39 H new ATOM 0 HE1 TRP B 62 145.084 12.203 -2.596 1.00 0.37 H new ATOM 0 HE3 TRP B 62 148.861 8.720 -4.102 1.00 0.32 H new ATOM 0 HZ2 TRP B 62 146.227 10.719 -0.391 1.00 0.34 H new ATOM 0 HZ3 TRP B 62 149.226 7.973 -1.768 1.00 0.31 H new ATOM 0 HH2 TRP B 62 147.913 8.963 0.084 1.00 0.32 H new ATOM 2403 N LEU B 63 150.298 10.628 -5.322 1.00 0.34 N ATOM 2404 CA LEU B 63 151.299 10.605 -4.220 1.00 0.32 C ATOM 2405 C LEU B 63 152.322 11.723 -4.439 1.00 0.33 C ATOM 2406 O LEU B 63 152.644 12.468 -3.534 1.00 0.32 O ATOM 2407 CB LEU B 63 151.994 9.233 -4.209 1.00 0.31 C ATOM 2408 CG LEU B 63 153.041 9.155 -3.086 1.00 0.30 C ATOM 2409 CD1 LEU B 63 152.354 9.208 -1.712 1.00 0.30 C ATOM 2410 CD2 LEU B 63 153.812 7.838 -3.218 1.00 0.32 C ATOM 0 H LEU B 63 150.319 9.823 -5.948 1.00 0.34 H new ATOM 0 HA LEU B 63 150.808 10.765 -3.260 1.00 0.32 H new ATOM 0 HB2 LEU B 63 151.252 8.446 -4.074 1.00 0.31 H new ATOM 0 HB3 LEU B 63 152.474 9.057 -5.172 1.00 0.31 H new ATOM 0 HG LEU B 63 153.723 10.001 -3.170 1.00 0.30 H new ATOM 0 HD11 LEU B 63 153.107 9.152 -0.926 1.00 0.30 H new ATOM 0 HD12 LEU B 63 151.800 10.142 -1.618 1.00 0.30 H new ATOM 0 HD13 LEU B 63 151.667 8.368 -1.616 1.00 0.30 H new ATOM 0 HD21 LEU B 63 154.558 7.772 -2.426 1.00 0.32 H new ATOM 0 HD22 LEU B 63 153.119 7.001 -3.135 1.00 0.32 H new ATOM 0 HD23 LEU B 63 154.309 7.803 -4.188 1.00 0.32 H new ATOM 2422 N LYS B 64 152.825 11.853 -5.633 1.00 0.35 N ATOM 2423 CA LYS B 64 153.818 12.928 -5.921 1.00 0.37 C ATOM 2424 C LYS B 64 153.167 14.292 -5.710 1.00 0.38 C ATOM 2425 O LYS B 64 153.724 15.173 -5.087 1.00 0.38 O ATOM 2426 CB LYS B 64 154.299 12.796 -7.376 1.00 0.41 C ATOM 2427 CG LYS B 64 155.435 13.809 -7.678 1.00 0.43 C ATOM 2428 CD LYS B 64 154.875 15.082 -8.338 1.00 0.68 C ATOM 2429 CE LYS B 64 156.034 15.957 -8.819 1.00 1.24 C ATOM 2430 NZ LYS B 64 156.697 15.307 -9.986 1.00 2.10 N ATOM 0 H LYS B 64 152.591 11.258 -6.428 1.00 0.35 H new ATOM 0 HA LYS B 64 154.671 12.833 -5.249 1.00 0.37 H new ATOM 0 HB2 LYS B 64 154.654 11.781 -7.555 1.00 0.41 H new ATOM 0 HB3 LYS B 64 153.464 12.966 -8.056 1.00 0.41 H new ATOM 0 HG2 LYS B 64 155.950 14.070 -6.753 1.00 0.43 H new ATOM 0 HG3 LYS B 64 156.173 13.349 -8.335 1.00 0.43 H new ATOM 0 HD2 LYS B 64 154.232 14.817 -9.177 1.00 0.68 H new ATOM 0 HD3 LYS B 64 154.260 15.633 -7.627 1.00 0.68 H new ATOM 0 HE2 LYS B 64 155.666 16.944 -9.099 1.00 1.24 H new ATOM 0 HE3 LYS B 64 156.753 16.102 -8.013 1.00 1.24 H new ATOM 0 HZ1 LYS B 64 157.211 16.024 -10.537 1.00 2.10 H new ATOM 0 HZ2 LYS B 64 157.365 14.585 -9.648 1.00 2.10 H new ATOM 0 HZ3 LYS B 64 155.978 14.858 -10.588 1.00 2.10 H new ATOM 2444 N ASP B 65 151.985 14.466 -6.232 1.00 0.41 N ATOM 2445 CA ASP B 65 151.274 15.765 -6.079 1.00 0.44 C ATOM 2446 C ASP B 65 150.852 15.957 -4.622 1.00 0.43 C ATOM 2447 O ASP B 65 150.743 17.066 -4.139 1.00 0.45 O ATOM 2448 CB ASP B 65 150.032 15.772 -6.973 1.00 0.48 C ATOM 2449 CG ASP B 65 149.415 17.173 -6.983 1.00 1.17 C ATOM 2450 OD1 ASP B 65 149.030 17.635 -5.922 1.00 1.90 O ATOM 2451 OD2 ASP B 65 149.337 17.757 -8.050 1.00 1.41 O ATOM 0 H ASP B 65 151.477 13.758 -6.762 1.00 0.41 H new ATOM 0 HA ASP B 65 151.941 16.577 -6.370 1.00 0.44 H new ATOM 0 HB2 ASP B 65 150.299 15.474 -7.987 1.00 0.48 H new ATOM 0 HB3 ASP B 65 149.305 15.046 -6.609 1.00 0.48 H new ATOM 2456 N THR B 66 150.573 14.887 -3.929 1.00 0.39 N ATOM 2457 CA THR B 66 150.113 15.008 -2.518 1.00 0.39 C ATOM 2458 C THR B 66 151.276 15.287 -1.565 1.00 0.38 C ATOM 2459 O THR B 66 151.104 16.008 -0.602 1.00 0.40 O ATOM 2460 CB THR B 66 149.411 13.715 -2.095 1.00 0.37 C ATOM 2461 OG1 THR B 66 148.264 13.512 -2.909 1.00 0.37 O ATOM 2462 CG2 THR B 66 148.983 13.822 -0.632 1.00 0.38 C ATOM 0 H THR B 66 150.644 13.932 -4.281 1.00 0.39 H new ATOM 0 HA THR B 66 149.422 15.849 -2.464 1.00 0.39 H new ATOM 0 HB THR B 66 150.095 12.875 -2.213 1.00 0.37 H new ATOM 0 HG1 THR B 66 148.544 13.358 -3.836 1.00 0.37 H new ATOM 0 HG21 THR B 66 148.483 12.901 -0.331 1.00 0.38 H new ATOM 0 HG22 THR B 66 149.862 13.979 -0.006 1.00 0.38 H new ATOM 0 HG23 THR B 66 148.298 14.662 -0.514 1.00 0.38 H new ATOM 2470 N CYS B 67 152.445 14.709 -1.766 1.00 0.36 N ATOM 2471 CA CYS B 67 153.573 14.943 -0.801 1.00 0.37 C ATOM 2472 C CYS B 67 154.862 15.345 -1.516 1.00 0.37 C ATOM 2473 O CYS B 67 155.716 15.992 -0.941 1.00 0.39 O ATOM 2474 CB CYS B 67 153.824 13.654 -0.013 1.00 0.36 C ATOM 2475 SG CYS B 67 153.917 12.255 -1.157 1.00 0.36 S ATOM 0 H CYS B 67 152.663 14.092 -2.549 1.00 0.36 H new ATOM 0 HA CYS B 67 153.287 15.760 -0.138 1.00 0.37 H new ATOM 0 HB2 CYS B 67 154.752 13.736 0.553 1.00 0.36 H new ATOM 0 HB3 CYS B 67 153.023 13.495 0.709 1.00 0.36 H new ATOM 0 HG CYS B 67 153.013 12.389 -2.081 1.00 0.36 H new ATOM 2481 N GLY B 68 155.027 14.957 -2.755 1.00 0.35 N ATOM 2482 CA GLY B 68 156.279 15.305 -3.501 1.00 0.36 C ATOM 2483 C GLY B 68 157.167 14.063 -3.590 1.00 0.34 C ATOM 2484 O GLY B 68 158.329 14.148 -3.937 1.00 0.33 O ATOM 0 H GLY B 68 154.347 14.412 -3.286 1.00 0.35 H new ATOM 0 HA2 GLY B 68 156.034 15.665 -4.500 1.00 0.36 H new ATOM 0 HA3 GLY B 68 156.809 16.111 -2.993 1.00 0.36 H new ATOM 2488 N ALA B 69 156.636 12.907 -3.292 1.00 0.32 N ATOM 2489 CA ALA B 69 157.461 11.667 -3.376 1.00 0.31 C ATOM 2490 C ALA B 69 158.121 11.601 -4.754 1.00 0.31 C ATOM 2491 O ALA B 69 157.627 12.159 -5.714 1.00 0.32 O ATOM 2492 CB ALA B 69 156.566 10.441 -3.170 1.00 0.31 C ATOM 0 H ALA B 69 155.670 12.768 -2.995 1.00 0.32 H new ATOM 0 HA ALA B 69 158.229 11.680 -2.603 1.00 0.31 H new ATOM 0 HB1 ALA B 69 157.170 9.535 -3.232 1.00 0.31 H new ATOM 0 HB2 ALA B 69 156.093 10.496 -2.189 1.00 0.31 H new ATOM 0 HB3 ALA B 69 155.797 10.418 -3.942 1.00 0.31 H new ATOM 2498 N ASN B 70 159.238 10.931 -4.865 1.00 0.29 N ATOM 2499 CA ASN B 70 159.926 10.846 -6.188 1.00 0.29 C ATOM 2500 C ASN B 70 159.443 9.606 -6.946 1.00 0.29 C ATOM 2501 O ASN B 70 158.607 8.861 -6.473 1.00 0.29 O ATOM 2502 CB ASN B 70 161.441 10.763 -5.974 1.00 0.29 C ATOM 2503 CG ASN B 70 161.794 9.480 -5.221 1.00 1.07 C ATOM 2504 OD1 ASN B 70 161.268 8.429 -5.512 1.00 1.91 O ATOM 2505 ND2 ASN B 70 162.673 9.522 -4.257 1.00 1.78 N ATOM 0 H ASN B 70 159.702 10.441 -4.101 1.00 0.29 H new ATOM 0 HA ASN B 70 159.692 11.735 -6.773 1.00 0.29 H new ATOM 0 HB2 ASN B 70 161.954 10.783 -6.936 1.00 0.29 H new ATOM 0 HB3 ASN B 70 161.785 11.631 -5.411 1.00 0.29 H new ATOM 0 HD21 ASN B 70 162.916 8.670 -3.751 1.00 1.78 H new ATOM 0 HD22 ASN B 70 163.117 10.406 -4.010 1.00 1.78 H new ATOM 2512 N ALA B 71 159.955 9.392 -8.125 1.00 0.31 N ATOM 2513 CA ALA B 71 159.527 8.218 -8.938 1.00 0.33 C ATOM 2514 C ALA B 71 159.972 6.907 -8.279 1.00 0.31 C ATOM 2515 O ALA B 71 159.304 5.900 -8.381 1.00 0.31 O ATOM 2516 CB ALA B 71 160.151 8.315 -10.330 1.00 0.38 C ATOM 0 H ALA B 71 160.658 9.985 -8.565 1.00 0.31 H new ATOM 0 HA ALA B 71 158.439 8.222 -9.009 1.00 0.33 H new ATOM 0 HB1 ALA B 71 159.841 7.458 -10.928 1.00 0.38 H new ATOM 0 HB2 ALA B 71 159.820 9.234 -10.814 1.00 0.38 H new ATOM 0 HB3 ALA B 71 161.237 8.322 -10.242 1.00 0.38 H new ATOM 2522 N LYS B 72 161.093 6.903 -7.613 1.00 0.29 N ATOM 2523 CA LYS B 72 161.559 5.637 -6.971 1.00 0.28 C ATOM 2524 C LYS B 72 160.677 5.312 -5.765 1.00 0.26 C ATOM 2525 O LYS B 72 160.344 4.170 -5.511 1.00 0.26 O ATOM 2526 CB LYS B 72 163.017 5.793 -6.528 1.00 0.28 C ATOM 2527 CG LYS B 72 163.527 4.473 -5.940 1.00 1.18 C ATOM 2528 CD LYS B 72 164.983 4.642 -5.502 1.00 1.28 C ATOM 2529 CE LYS B 72 165.499 3.327 -4.911 1.00 2.10 C ATOM 2530 NZ LYS B 72 165.613 2.303 -5.988 1.00 2.57 N ATOM 0 H LYS B 72 161.703 7.711 -7.485 1.00 0.29 H new ATOM 0 HA LYS B 72 161.489 4.820 -7.690 1.00 0.28 H new ATOM 0 HB2 LYS B 72 163.635 6.086 -7.377 1.00 0.28 H new ATOM 0 HB3 LYS B 72 163.098 6.587 -5.786 1.00 0.28 H new ATOM 0 HG2 LYS B 72 162.912 4.179 -5.090 1.00 1.18 H new ATOM 0 HG3 LYS B 72 163.448 3.677 -6.681 1.00 1.18 H new ATOM 0 HD2 LYS B 72 165.597 4.935 -6.353 1.00 1.28 H new ATOM 0 HD3 LYS B 72 165.061 5.439 -4.763 1.00 1.28 H new ATOM 0 HE2 LYS B 72 166.470 3.484 -4.441 1.00 2.10 H new ATOM 0 HE3 LYS B 72 164.821 2.976 -4.133 1.00 2.10 H new ATOM 0 HZ1 LYS B 72 166.205 1.515 -5.657 1.00 2.57 H new ATOM 0 HZ2 LYS B 72 164.666 1.947 -6.230 1.00 2.57 H new ATOM 0 HZ3 LYS B 72 166.047 2.732 -6.830 1.00 2.57 H new ATOM 2544 N GLN B 73 160.315 6.310 -5.011 1.00 0.25 N ATOM 2545 CA GLN B 73 159.474 6.086 -3.806 1.00 0.24 C ATOM 2546 C GLN B 73 158.082 5.612 -4.206 1.00 0.25 C ATOM 2547 O GLN B 73 157.486 4.784 -3.546 1.00 0.25 O ATOM 2548 CB GLN B 73 159.367 7.394 -3.018 1.00 0.26 C ATOM 2549 CG GLN B 73 160.721 7.717 -2.383 1.00 0.28 C ATOM 2550 CD GLN B 73 160.689 9.130 -1.799 1.00 1.25 C ATOM 2551 OE1 GLN B 73 159.955 9.977 -2.268 1.00 2.12 O ATOM 2552 NE2 GLN B 73 161.458 9.419 -0.785 1.00 1.89 N ATOM 0 H GLN B 73 160.570 7.283 -5.181 1.00 0.25 H new ATOM 0 HA GLN B 73 159.937 5.317 -3.187 1.00 0.24 H new ATOM 0 HB2 GLN B 73 159.060 8.205 -3.678 1.00 0.26 H new ATOM 0 HB3 GLN B 73 158.603 7.305 -2.246 1.00 0.26 H new ATOM 0 HG2 GLN B 73 160.949 6.994 -1.600 1.00 0.28 H new ATOM 0 HG3 GLN B 73 161.512 7.639 -3.129 1.00 0.28 H new ATOM 0 HE21 GLN B 73 162.074 8.707 -0.392 1.00 1.89 H new ATOM 0 HE22 GLN B 73 161.443 10.357 -0.385 1.00 1.89 H new ATOM 2561 N SER B 74 157.547 6.134 -5.277 1.00 0.26 N ATOM 2562 CA SER B 74 156.188 5.714 -5.700 1.00 0.27 C ATOM 2563 C SER B 74 156.208 4.251 -6.148 1.00 0.26 C ATOM 2564 O SER B 74 155.279 3.511 -5.891 1.00 0.26 O ATOM 2565 CB SER B 74 155.720 6.597 -6.854 1.00 0.30 C ATOM 2566 OG SER B 74 156.299 6.135 -8.067 1.00 1.36 O ATOM 0 H SER B 74 157.994 6.831 -5.873 1.00 0.26 H new ATOM 0 HA SER B 74 155.503 5.818 -4.859 1.00 0.27 H new ATOM 0 HB2 SER B 74 154.633 6.575 -6.926 1.00 0.30 H new ATOM 0 HB3 SER B 74 156.006 7.633 -6.673 1.00 0.30 H new ATOM 0 HG SER B 74 157.275 6.128 -7.982 1.00 1.36 H new ATOM 2572 N ARG B 75 157.251 3.813 -6.812 1.00 0.27 N ATOM 2573 CA ARG B 75 157.294 2.392 -7.257 1.00 0.27 C ATOM 2574 C ARG B 75 157.211 1.490 -6.029 1.00 0.26 C ATOM 2575 O ARG B 75 156.590 0.446 -6.065 1.00 0.26 O ATOM 2576 CB ARG B 75 158.594 2.105 -8.017 1.00 0.29 C ATOM 2577 CG ARG B 75 158.575 2.819 -9.371 1.00 0.32 C ATOM 2578 CD ARG B 75 159.881 2.521 -10.114 1.00 0.61 C ATOM 2579 NE ARG B 75 160.027 3.433 -11.297 1.00 1.35 N ATOM 2580 CZ ARG B 75 159.113 3.510 -12.230 1.00 1.82 C ATOM 2581 NH1 ARG B 75 158.120 2.665 -12.261 1.00 1.89 N ATOM 2582 NH2 ARG B 75 159.228 4.405 -13.174 1.00 2.81 N ATOM 0 H ARG B 75 158.065 4.375 -7.061 1.00 0.27 H new ATOM 0 HA ARG B 75 156.454 2.199 -7.924 1.00 0.27 H new ATOM 0 HB2 ARG B 75 159.450 2.441 -7.431 1.00 0.29 H new ATOM 0 HB3 ARG B 75 158.710 1.031 -8.164 1.00 0.29 H new ATOM 0 HG2 ARG B 75 157.722 2.484 -9.961 1.00 0.32 H new ATOM 0 HG3 ARG B 75 158.461 3.893 -9.228 1.00 0.32 H new ATOM 0 HD2 ARG B 75 160.728 2.650 -9.440 1.00 0.61 H new ATOM 0 HD3 ARG B 75 159.891 1.482 -10.444 1.00 0.61 H new ATOM 0 HE ARG B 75 160.864 4.010 -11.376 1.00 1.35 H new ATOM 0 HH11 ARG B 75 158.050 1.934 -11.553 1.00 1.89 H new ATOM 0 HH12 ARG B 75 157.413 2.735 -12.993 1.00 1.89 H new ATOM 0 HH21 ARG B 75 160.027 5.039 -13.181 1.00 2.81 H new ATOM 0 HH22 ARG B 75 158.519 4.470 -13.904 1.00 2.81 H new ATOM 2596 N ASP B 76 157.834 1.861 -4.945 1.00 0.24 N ATOM 2597 CA ASP B 76 157.799 1.011 -3.724 1.00 0.24 C ATOM 2598 C ASP B 76 156.392 0.978 -3.128 1.00 0.22 C ATOM 2599 O ASP B 76 155.931 -0.055 -2.684 1.00 0.22 O ATOM 2600 CB ASP B 76 158.782 1.566 -2.689 1.00 0.23 C ATOM 2601 CG ASP B 76 160.217 1.330 -3.168 1.00 0.25 C ATOM 2602 OD1 ASP B 76 160.414 0.418 -3.954 1.00 0.40 O ATOM 2603 OD2 ASP B 76 161.093 2.062 -2.739 1.00 0.39 O ATOM 0 H ASP B 76 158.370 2.724 -4.853 1.00 0.24 H new ATOM 0 HA ASP B 76 158.083 -0.005 -3.997 1.00 0.24 H new ATOM 0 HB2 ASP B 76 158.607 2.632 -2.541 1.00 0.23 H new ATOM 0 HB3 ASP B 76 158.625 1.081 -1.726 1.00 0.23 H new ATOM 2608 N CYS B 77 155.692 2.081 -3.111 1.00 0.22 N ATOM 2609 CA CYS B 77 154.316 2.065 -2.541 1.00 0.21 C ATOM 2610 C CYS B 77 153.390 1.244 -3.440 1.00 0.22 C ATOM 2611 O CYS B 77 152.544 0.516 -2.962 1.00 0.21 O ATOM 2612 CB CYS B 77 153.784 3.497 -2.444 1.00 0.22 C ATOM 2613 SG CYS B 77 154.686 4.389 -1.154 1.00 0.23 S ATOM 0 H CYS B 77 156.010 2.984 -3.464 1.00 0.22 H new ATOM 0 HA CYS B 77 154.348 1.617 -1.548 1.00 0.21 H new ATOM 0 HB2 CYS B 77 153.900 4.005 -3.401 1.00 0.22 H new ATOM 0 HB3 CYS B 77 152.718 3.486 -2.216 1.00 0.22 H new ATOM 0 HG CYS B 77 155.352 3.543 -0.426 1.00 0.23 H new ATOM 2619 N PHE B 78 153.519 1.359 -4.735 1.00 0.23 N ATOM 2620 CA PHE B 78 152.611 0.585 -5.626 1.00 0.25 C ATOM 2621 C PHE B 78 152.773 -0.909 -5.346 1.00 0.24 C ATOM 2622 O PHE B 78 151.835 -1.589 -4.977 1.00 0.23 O ATOM 2623 CB PHE B 78 152.977 0.867 -7.085 1.00 0.28 C ATOM 2624 CG PHE B 78 152.060 0.091 -8.001 1.00 0.32 C ATOM 2625 CD1 PHE B 78 152.403 -1.206 -8.403 1.00 0.38 C ATOM 2626 CD2 PHE B 78 150.866 0.669 -8.449 1.00 0.36 C ATOM 2627 CE1 PHE B 78 151.552 -1.925 -9.253 1.00 0.43 C ATOM 2628 CE2 PHE B 78 150.015 -0.050 -9.299 1.00 0.40 C ATOM 2629 CZ PHE B 78 150.360 -1.346 -9.700 1.00 0.42 C ATOM 0 H PHE B 78 154.205 1.948 -5.208 1.00 0.23 H new ATOM 0 HA PHE B 78 151.578 0.881 -5.440 1.00 0.25 H new ATOM 0 HB2 PHE B 78 152.894 1.934 -7.291 1.00 0.28 H new ATOM 0 HB3 PHE B 78 154.014 0.587 -7.270 1.00 0.28 H new ATOM 0 HD1 PHE B 78 153.324 -1.652 -8.058 1.00 0.38 H new ATOM 0 HD2 PHE B 78 150.601 1.669 -8.139 1.00 0.36 H new ATOM 0 HE1 PHE B 78 151.816 -2.925 -9.563 1.00 0.43 H new ATOM 0 HE2 PHE B 78 149.094 0.395 -9.644 1.00 0.40 H new ATOM 0 HZ PHE B 78 149.704 -1.900 -10.356 1.00 0.42 H new ATOM 2639 N GLY B 79 153.958 -1.427 -5.525 1.00 0.25 N ATOM 2640 CA GLY B 79 154.195 -2.877 -5.283 1.00 0.25 C ATOM 2641 C GLY B 79 153.878 -3.233 -3.828 1.00 0.23 C ATOM 2642 O GLY B 79 153.420 -4.315 -3.531 1.00 0.24 O ATOM 0 H GLY B 79 154.778 -0.903 -5.831 1.00 0.25 H new ATOM 0 HA2 GLY B 79 153.573 -3.471 -5.953 1.00 0.25 H new ATOM 0 HA3 GLY B 79 155.232 -3.125 -5.507 1.00 0.25 H new ATOM 2646 N CYS B 80 154.119 -2.334 -2.919 1.00 0.22 N ATOM 2647 CA CYS B 80 153.830 -2.638 -1.487 1.00 0.21 C ATOM 2648 C CYS B 80 152.322 -2.748 -1.273 1.00 0.21 C ATOM 2649 O CYS B 80 151.835 -3.714 -0.719 1.00 0.22 O ATOM 2650 CB CYS B 80 154.381 -1.515 -0.608 1.00 0.22 C ATOM 2651 SG CYS B 80 154.141 -1.940 1.135 1.00 0.24 S ATOM 0 H CYS B 80 154.501 -1.406 -3.101 1.00 0.22 H new ATOM 0 HA CYS B 80 154.303 -3.583 -1.220 1.00 0.21 H new ATOM 0 HB2 CYS B 80 155.441 -1.364 -0.814 1.00 0.22 H new ATOM 0 HB3 CYS B 80 153.875 -0.577 -0.838 1.00 0.22 H new ATOM 0 HG CYS B 80 153.785 -0.878 1.795 1.00 0.24 H new ATOM 2657 N LEU B 81 151.573 -1.778 -1.712 1.00 0.21 N ATOM 2658 CA LEU B 81 150.100 -1.865 -1.526 1.00 0.21 C ATOM 2659 C LEU B 81 149.520 -2.907 -2.492 1.00 0.21 C ATOM 2660 O LEU B 81 148.653 -3.680 -2.138 1.00 0.22 O ATOM 2661 CB LEU B 81 149.476 -0.496 -1.810 1.00 0.22 C ATOM 2662 CG LEU B 81 150.090 0.559 -0.877 1.00 0.24 C ATOM 2663 CD1 LEU B 81 149.455 1.920 -1.170 1.00 0.29 C ATOM 2664 CD2 LEU B 81 149.855 0.178 0.597 1.00 0.28 C ATOM 0 H LEU B 81 151.910 -0.940 -2.185 1.00 0.21 H new ATOM 0 HA LEU B 81 149.877 -2.163 -0.502 1.00 0.21 H new ATOM 0 HB2 LEU B 81 149.645 -0.218 -2.850 1.00 0.22 H new ATOM 0 HB3 LEU B 81 148.397 -0.540 -1.664 1.00 0.22 H new ATOM 0 HG LEU B 81 151.165 0.608 -1.053 1.00 0.24 H new ATOM 0 HD11 LEU B 81 149.887 2.673 -0.511 1.00 0.29 H new ATOM 0 HD12 LEU B 81 149.645 2.194 -2.208 1.00 0.29 H new ATOM 0 HD13 LEU B 81 148.380 1.864 -1.001 1.00 0.29 H new ATOM 0 HD21 LEU B 81 150.297 0.936 1.244 1.00 0.28 H new ATOM 0 HD22 LEU B 81 148.784 0.115 0.790 1.00 0.28 H new ATOM 0 HD23 LEU B 81 150.318 -0.787 0.802 1.00 0.28 H new ATOM 2676 N ARG B 82 149.993 -2.932 -3.713 1.00 0.22 N ATOM 2677 CA ARG B 82 149.473 -3.919 -4.707 1.00 0.24 C ATOM 2678 C ARG B 82 149.715 -5.345 -4.211 1.00 0.25 C ATOM 2679 O ARG B 82 148.851 -6.196 -4.292 1.00 0.26 O ATOM 2680 CB ARG B 82 150.195 -3.698 -6.043 1.00 0.28 C ATOM 2681 CG ARG B 82 149.812 -4.783 -7.061 1.00 0.32 C ATOM 2682 CD ARG B 82 148.292 -4.835 -7.236 1.00 0.85 C ATOM 2683 NE ARG B 82 147.967 -5.539 -8.508 1.00 1.42 N ATOM 2684 CZ ARG B 82 146.757 -5.979 -8.719 1.00 1.96 C ATOM 2685 NH1 ARG B 82 145.836 -5.816 -7.810 1.00 2.26 N ATOM 2686 NH2 ARG B 82 146.469 -6.585 -9.840 1.00 2.74 N ATOM 0 H ARG B 82 150.720 -2.309 -4.065 1.00 0.22 H new ATOM 0 HA ARG B 82 148.400 -3.778 -4.838 1.00 0.24 H new ATOM 0 HB2 ARG B 82 149.940 -2.715 -6.440 1.00 0.28 H new ATOM 0 HB3 ARG B 82 151.273 -3.708 -5.884 1.00 0.28 H new ATOM 0 HG2 ARG B 82 150.288 -4.576 -8.019 1.00 0.32 H new ATOM 0 HG3 ARG B 82 150.180 -5.753 -6.725 1.00 0.32 H new ATOM 0 HD2 ARG B 82 147.835 -5.353 -6.393 1.00 0.85 H new ATOM 0 HD3 ARG B 82 147.881 -3.825 -7.250 1.00 0.85 H new ATOM 0 HE ARG B 82 148.690 -5.677 -9.214 1.00 1.42 H new ATOM 0 HH11 ARG B 82 146.062 -5.344 -6.934 1.00 2.26 H new ATOM 0 HH12 ARG B 82 144.890 -6.160 -7.975 1.00 2.26 H new ATOM 0 HH21 ARG B 82 147.190 -6.714 -10.550 1.00 2.74 H new ATOM 0 HH22 ARG B 82 145.523 -6.929 -10.005 1.00 2.74 H new ATOM 2700 N GLU B 83 150.882 -5.614 -3.701 1.00 0.25 N ATOM 2701 CA GLU B 83 151.184 -6.985 -3.201 1.00 0.27 C ATOM 2702 C GLU B 83 150.396 -7.277 -1.922 1.00 0.27 C ATOM 2703 O GLU B 83 149.910 -8.376 -1.733 1.00 0.28 O ATOM 2704 CB GLU B 83 152.686 -7.129 -2.951 1.00 0.29 C ATOM 2705 CG GLU B 83 153.412 -7.154 -4.300 1.00 0.33 C ATOM 2706 CD GLU B 83 154.919 -7.281 -4.079 1.00 1.20 C ATOM 2707 OE1 GLU B 83 155.394 -8.402 -4.002 1.00 1.57 O ATOM 2708 OE2 GLU B 83 155.573 -6.257 -3.993 1.00 1.91 O ATOM 0 H GLU B 83 151.644 -4.942 -3.608 1.00 0.25 H new ATOM 0 HA GLU B 83 150.882 -7.709 -3.958 1.00 0.27 H new ATOM 0 HB2 GLU B 83 153.048 -6.300 -2.343 1.00 0.29 H new ATOM 0 HB3 GLU B 83 152.890 -8.045 -2.396 1.00 0.29 H new ATOM 0 HG2 GLU B 83 153.052 -7.989 -4.901 1.00 0.33 H new ATOM 0 HG3 GLU B 83 153.193 -6.243 -4.857 1.00 0.33 H new ATOM 2715 N TRP B 84 150.234 -6.319 -1.044 1.00 0.25 N ATOM 2716 CA TRP B 84 149.445 -6.580 0.192 1.00 0.25 C ATOM 2717 C TRP B 84 148.017 -6.938 -0.214 1.00 0.26 C ATOM 2718 O TRP B 84 147.409 -7.839 0.328 1.00 0.28 O ATOM 2719 CB TRP B 84 149.425 -5.326 1.073 1.00 0.25 C ATOM 2720 CG TRP B 84 148.664 -5.613 2.330 1.00 0.27 C ATOM 2721 CD1 TRP B 84 149.213 -6.083 3.473 1.00 0.30 C ATOM 2722 CD2 TRP B 84 147.237 -5.466 2.593 1.00 0.29 C ATOM 2723 NE1 TRP B 84 148.219 -6.231 4.421 1.00 0.32 N ATOM 2724 CE2 TRP B 84 146.983 -5.865 3.928 1.00 0.32 C ATOM 2725 CE3 TRP B 84 146.150 -5.029 1.814 1.00 0.31 C ATOM 2726 CZ2 TRP B 84 145.697 -5.831 4.470 1.00 0.35 C ATOM 2727 CZ3 TRP B 84 144.854 -4.997 2.356 1.00 0.35 C ATOM 2728 CH2 TRP B 84 144.629 -5.397 3.681 1.00 0.36 C ATOM 0 H TRP B 84 150.612 -5.376 -1.131 1.00 0.25 H new ATOM 0 HA TRP B 84 149.896 -7.398 0.754 1.00 0.25 H new ATOM 0 HB2 TRP B 84 150.443 -5.021 1.313 1.00 0.25 H new ATOM 0 HB3 TRP B 84 148.962 -4.498 0.536 1.00 0.25 H new ATOM 0 HD1 TRP B 84 150.259 -6.306 3.621 1.00 0.30 H new ATOM 0 HE1 TRP B 84 148.379 -6.570 5.370 1.00 0.32 H new ATOM 0 HE3 TRP B 84 146.313 -4.716 0.793 1.00 0.31 H new ATOM 0 HZ2 TRP B 84 145.529 -6.138 5.492 1.00 0.35 H new ATOM 0 HZ3 TRP B 84 144.026 -4.662 1.748 1.00 0.35 H new ATOM 0 HH2 TRP B 84 143.630 -5.370 4.091 1.00 0.36 H new ATOM 2739 N CYS B 85 147.470 -6.219 -1.158 1.00 0.27 N ATOM 2740 CA CYS B 85 146.072 -6.495 -1.589 1.00 0.30 C ATOM 2741 C CYS B 85 145.957 -7.914 -2.148 1.00 0.33 C ATOM 2742 O CYS B 85 144.993 -8.612 -1.904 1.00 0.36 O ATOM 2743 CB CYS B 85 145.674 -5.497 -2.680 1.00 0.33 C ATOM 2744 SG CYS B 85 145.372 -3.878 -1.937 1.00 0.33 S ATOM 0 H CYS B 85 147.932 -5.453 -1.648 1.00 0.27 H new ATOM 0 HA CYS B 85 145.412 -6.396 -0.727 1.00 0.30 H new ATOM 0 HB2 CYS B 85 146.465 -5.424 -3.427 1.00 0.33 H new ATOM 0 HB3 CYS B 85 144.779 -5.844 -3.196 1.00 0.33 H new ATOM 0 HG CYS B 85 146.505 -3.272 -1.742 1.00 0.33 H new ATOM 2750 N ASP B 86 146.928 -8.342 -2.899 1.00 0.34 N ATOM 2751 CA ASP B 86 146.869 -9.710 -3.479 1.00 0.40 C ATOM 2752 C ASP B 86 146.789 -10.735 -2.351 1.00 0.41 C ATOM 2753 O ASP B 86 146.261 -11.817 -2.515 1.00 0.43 O ATOM 2754 CB ASP B 86 148.124 -9.965 -4.315 1.00 0.42 C ATOM 2755 CG ASP B 86 148.079 -9.107 -5.582 1.00 0.43 C ATOM 2756 OD1 ASP B 86 146.986 -8.753 -5.995 1.00 0.55 O ATOM 2757 OD2 ASP B 86 149.136 -8.817 -6.116 1.00 0.52 O ATOM 0 H ASP B 86 147.761 -7.804 -3.137 1.00 0.34 H new ATOM 0 HA ASP B 86 145.988 -9.799 -4.114 1.00 0.40 H new ATOM 0 HB2 ASP B 86 149.015 -9.727 -3.734 1.00 0.42 H new ATOM 0 HB3 ASP B 86 148.189 -11.020 -4.580 1.00 0.42 H new ATOM 2762 N ALA B 87 147.322 -10.406 -1.204 1.00 0.40 N ATOM 2763 CA ALA B 87 147.294 -11.365 -0.060 1.00 0.43 C ATOM 2764 C ALA B 87 146.092 -11.088 0.851 1.00 0.43 C ATOM 2765 O ALA B 87 145.538 -11.994 1.441 1.00 0.47 O ATOM 2766 CB ALA B 87 148.582 -11.215 0.749 1.00 0.40 C ATOM 0 H ALA B 87 147.776 -9.514 -1.009 1.00 0.40 H new ATOM 0 HA ALA B 87 147.209 -12.378 -0.453 1.00 0.43 H new ATOM 0 HB1 ALA B 87 148.569 -11.912 1.587 1.00 0.40 H new ATOM 0 HB2 ALA B 87 149.439 -11.430 0.111 1.00 0.40 H new ATOM 0 HB3 ALA B 87 148.658 -10.195 1.127 1.00 0.40 H new ATOM 2772 N PHE B 88 145.716 -9.838 1.013 1.00 0.39 N ATOM 2773 CA PHE B 88 144.580 -9.495 1.939 1.00 0.44 C ATOM 2774 C PHE B 88 143.325 -9.019 1.197 1.00 0.54 C ATOM 2775 O PHE B 88 142.290 -8.844 1.807 1.00 1.24 O ATOM 2776 CB PHE B 88 145.035 -8.382 2.883 1.00 0.41 C ATOM 2777 CG PHE B 88 146.064 -8.922 3.846 1.00 0.38 C ATOM 2778 CD1 PHE B 88 145.656 -9.470 5.068 1.00 0.43 C ATOM 2779 CD2 PHE B 88 147.423 -8.874 3.517 1.00 0.35 C ATOM 2780 CE1 PHE B 88 146.608 -9.971 5.962 1.00 0.46 C ATOM 2781 CE2 PHE B 88 148.375 -9.374 4.413 1.00 0.39 C ATOM 2782 CZ PHE B 88 147.967 -9.922 5.635 1.00 0.44 C ATOM 0 H PHE B 88 146.145 -9.040 0.545 1.00 0.39 H new ATOM 0 HA PHE B 88 144.317 -10.405 2.479 1.00 0.44 H new ATOM 0 HB2 PHE B 88 145.457 -7.556 2.310 1.00 0.41 H new ATOM 0 HB3 PHE B 88 144.181 -7.986 3.432 1.00 0.41 H new ATOM 0 HD1 PHE B 88 144.607 -9.506 5.320 1.00 0.43 H new ATOM 0 HD2 PHE B 88 147.737 -8.452 2.574 1.00 0.35 H new ATOM 0 HE1 PHE B 88 146.294 -10.395 6.904 1.00 0.46 H new ATOM 0 HE2 PHE B 88 149.425 -9.337 4.162 1.00 0.39 H new ATOM 0 HZ PHE B 88 148.702 -10.307 6.326 1.00 0.44 H new ATOM 2792 N LEU B 89 143.376 -8.796 -0.095 1.00 0.39 N ATOM 2793 CA LEU B 89 142.146 -8.321 -0.814 1.00 0.36 C ATOM 2794 C LEU B 89 141.420 -9.520 -1.426 1.00 0.87 C ATOM 2795 O LEU B 89 141.950 -10.091 -2.367 1.00 1.43 O ATOM 2796 CB LEU B 89 142.544 -7.332 -1.919 1.00 0.74 C ATOM 2797 CG LEU B 89 141.336 -6.478 -2.340 1.00 0.47 C ATOM 2798 CD1 LEU B 89 140.971 -5.458 -1.234 1.00 1.00 C ATOM 2799 CD2 LEU B 89 141.688 -5.733 -3.634 1.00 1.27 C ATOM 2800 OXT LEU B 89 140.349 -9.849 -0.945 1.00 1.67 O ATOM 0 H LEU B 89 144.204 -8.920 -0.678 1.00 0.39 H new ATOM 0 HA LEU B 89 141.483 -7.820 -0.109 1.00 0.36 H new ATOM 0 HB2 LEU B 89 143.347 -6.686 -1.565 1.00 0.74 H new ATOM 0 HB3 LEU B 89 142.930 -7.877 -2.781 1.00 0.74 H new ATOM 0 HG LEU B 89 140.476 -7.128 -2.500 1.00 0.47 H new ATOM 0 HD11 LEU B 89 140.114 -4.865 -1.554 1.00 1.00 H new ATOM 0 HD12 LEU B 89 140.722 -5.990 -0.316 1.00 1.00 H new ATOM 0 HD13 LEU B 89 141.820 -4.799 -1.052 1.00 1.00 H new ATOM 0 HD21 LEU B 89 140.840 -5.123 -3.945 1.00 1.27 H new ATOM 0 HD22 LEU B 89 142.552 -5.092 -3.461 1.00 1.27 H new ATOM 0 HD23 LEU B 89 141.922 -6.454 -4.417 1.00 1.27 H new